NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
583510 | 2mlm | 19826 | 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 1.204 -7.405 -0.737 2 HB2 MET 1 HB2 MET 1 3.185 -8.432 -1.727 3 HB3 MET 1 HB3 MET 1 1.738 -9.312 -2.194 4 HG2 MET 1 HG2 MET 1 1.784 -8.354 -4.384 5 HG3 MET 1 HG3 MET 1 3.085 -7.258 -3.927 6 HE1 MET 1 HE1 MET 1 3.672 -11.836 -4.156 7 HE2 MET 1 HE2 MET 1 2.113 -11.051 -4.401 8 HE3 MET 1 HE3 MET 1 2.873 -11.026 -2.809 9 H GLN 2 H GLN 2 3.596 -6.578 -0.695 10 HA GLN 2 HA GLN 2 3.702 -3.988 -2.086 11 HB2 GLN 2 HB2 GLN 2 4.429 -4.621 0.763 12 HB3 GLN 2 HB3 GLN 2 5.107 -3.235 -0.080 13 HG2 GLN 2 HG2 GLN 2 3.267 -2.451 1.185 14 HG3 GLN 2 HG3 GLN 2 2.770 -2.456 -0.504 15 HE21 GLN 2 HE21 GLN 2 2.965 -5.263 1.617 16 HE22 GLN 2 HE22 GLN 2 1.266 -5.603 1.606 17 H ALA 3 H ALA 3 6.262 -3.287 -1.170 18 HA ALA 3 HA ALA 3 8.154 -5.278 -1.978 19 HB1 ALA 3 HB1 ALA 3 8.824 -4.134 -4.061 20 HB2 ALA 3 HB2 ALA 3 7.434 -3.059 -3.883 21 HB3 ALA 3 HB3 ALA 3 7.186 -4.784 -4.143 22 H LYS 4 H LYS 4 10.315 -4.007 -2.536 23 HA LYS 4 HA LYS 4 10.931 -2.358 -0.295 24 HB2 LYS 4 HB2 LYS 4 12.494 -2.909 -2.820 25 HB3 LYS 4 HB3 LYS 4 13.131 -2.054 -1.423 26 HG2 LYS 4 HG2 LYS 4 12.807 -4.066 -0.057 27 HG3 LYS 4 HG3 LYS 4 12.195 -4.917 -1.477 28 HD2 LYS 4 HD2 LYS 4 14.525 -5.475 -1.133 29 HD3 LYS 4 HD3 LYS 4 14.352 -4.525 -2.609 30 HE2 LYS 4 HE2 LYS 4 14.957 -2.494 -1.253 31 HE3 LYS 4 HE3 LYS 4 15.346 -3.587 0.076 32 HZ1 LYS 4 HZ1 LYS 4 16.945 -4.695 -1.438 33 HZ2 LYS 4 HZ2 LYS 4 17.345 -3.083 -1.101 34 HZ3 LYS 4 HZ3 LYS 4 16.643 -3.487 -2.594 35 HA PRO 5 HA PRO 5 9.447 1.378 -2.211 36 HB2 PRO 5 HB2 PRO 5 9.858 3.015 -0.113 37 HB3 PRO 5 HB3 PRO 5 8.544 1.833 -0.141 38 HG2 PRO 5 HG2 PRO 5 11.205 1.672 1.210 39 HG3 PRO 5 HG3 PRO 5 9.612 1.181 1.811 40 HD2 PRO 5 HD2 PRO 5 11.449 -0.563 0.778 41 HD3 PRO 5 HD3 PRO 5 9.697 -0.841 0.742 42 H GLN 6 H GLN 6 10.275 3.434 -2.842 43 HA GLN 6 HA GLN 6 13.211 3.637 -2.752 44 HB2 GLN 6 HB2 GLN 6 11.859 3.323 -5.001 45 HB3 GLN 6 HB3 GLN 6 11.536 5.038 -4.809 46 HG2 GLN 6 HG2 GLN 6 13.412 4.755 -6.262 47 HG3 GLN 6 HG3 GLN 6 13.975 5.451 -4.744 48 HE21 GLN 6 HE21 GLN 6 15.319 4.253 -3.419 49 HE22 GLN 6 HE22 GLN 6 16.060 2.779 -3.936 50 H ILE 7 H ILE 7 13.836 6.104 -3.082 51 HA ILE 7 HA ILE 7 12.207 7.597 -1.145 52 HB ILE 7 HB ILE 7 15.127 7.909 -1.854 53 HG12 ILE 7 HG12 ILE 7 13.763 6.950 0.673 54 HG13 ILE 7 HG13 ILE 7 14.608 5.931 -0.486 55 HG21 ILE 7 HG21 ILE 7 14.176 10.075 -1.348 56 HG22 ILE 7 HG22 ILE 7 15.206 9.546 -0.019 57 HG23 ILE 7 HG23 ILE 7 13.451 9.442 0.129 58 HD11 ILE 7 HD11 ILE 7 16.697 7.098 0.031 59 HD12 ILE 7 HD12 ILE 7 15.984 6.339 1.454 60 HD13 ILE 7 HD13 ILE 7 15.842 8.082 1.219 61 HA PRO 8 HA PRO 8 11.514 10.227 -4.770 62 HB2 PRO 8 HB2 PRO 8 8.982 10.865 -4.227 63 HB3 PRO 8 HB3 PRO 8 9.400 9.266 -4.854 64 HG2 PRO 8 HG2 PRO 8 8.726 10.095 -2.066 65 HG3 PRO 8 HG3 PRO 8 8.300 8.608 -2.930 66 HD2 PRO 8 HD2 PRO 8 10.399 8.897 -1.109 67 HD3 PRO 8 HD3 PRO 8 10.212 7.571 -2.272 68 H LYS 9 H LYS 9 10.533 12.531 -4.842 69 HA LYS 9 HA LYS 9 11.777 14.072 -2.744 70 HB2 LYS 9 HB2 LYS 9 12.241 14.857 -4.899 71 HB3 LYS 9 HB3 LYS 9 10.572 14.682 -5.413 72 HG2 LYS 9 HG2 LYS 9 9.927 16.539 -4.012 73 HG3 LYS 9 HG3 LYS 9 11.591 16.711 -3.454 74 HD2 LYS 9 HD2 LYS 9 12.330 17.267 -5.674 75 HD3 LYS 9 HD3 LYS 9 10.728 16.929 -6.332 76 HE2 LYS 9 HE2 LYS 9 9.806 18.779 -5.024 77 HE3 LYS 9 HE3 LYS 9 11.412 19.117 -4.376 78 HZ1 LYS 9 HZ1 LYS 9 10.755 19.180 -7.268 79 HZ2 LYS 9 HZ2 LYS 9 12.190 19.701 -6.531 80 HZ3 LYS 9 HZ3 LYS 9 10.747 20.550 -6.272 81 H ASP 10 H ASP 10 8.599 13.218 -3.859 82 HA ASP 10 HA ASP 10 7.074 15.199 -2.599 83 HB2 ASP 10 HB2 ASP 10 6.069 13.793 -4.274 84 HB3 ASP 10 HB3 ASP 10 6.385 12.345 -3.322 85 H LYS 11 H LYS 11 6.445 15.537 -0.583 86 HA LYS 11 HA LYS 11 7.492 13.742 1.480 87 HB2 LYS 11 HB2 LYS 11 6.506 16.595 1.575 88 HB3 LYS 11 HB3 LYS 11 7.006 15.688 2.995 89 HG2 LYS 11 HG2 LYS 11 8.788 16.176 0.625 90 HG3 LYS 11 HG3 LYS 11 8.734 17.223 2.045 91 HD2 LYS 11 HD2 LYS 11 9.453 15.425 3.468 92 HD3 LYS 11 HD3 LYS 11 9.339 14.268 2.138 93 HE2 LYS 11 HE2 LYS 11 11.180 16.655 2.163 94 HE3 LYS 11 HE3 LYS 11 11.663 15.031 2.652 95 HZ1 LYS 11 HZ1 LYS 11 11.172 14.225 0.457 96 HZ2 LYS 11 HZ2 LYS 11 12.246 15.534 0.348 97 HZ3 LYS 11 HZ3 LYS 11 10.608 15.749 -0.032 98 H SER 12 H SER 12 4.842 13.672 -0.179 99 HA SER 12 HA SER 12 2.920 13.592 2.000 100 HB2 SER 12 HB2 SER 12 2.458 12.866 -0.894 101 HB3 SER 12 HB3 SER 12 1.259 13.344 0.307 102 HG SER 12 HG SER 12 3.039 14.894 -1.176 103 H LYS 13 H LYS 13 4.976 11.514 0.224 104 HA LYS 13 HA LYS 13 3.449 9.110 0.840 105 HB2 LYS 13 HB2 LYS 13 6.111 9.369 -0.569 106 HB3 LYS 13 HB3 LYS 13 5.091 7.938 -0.508 107 HG2 LYS 13 HG2 LYS 13 4.399 10.543 -1.843 108 HG3 LYS 13 HG3 LYS 13 4.927 9.069 -2.656 109 HD2 LYS 13 HD2 LYS 13 2.939 7.905 -1.921 110 HD3 LYS 13 HD3 LYS 13 2.433 9.304 -0.969 111 HE2 LYS 13 HE2 LYS 13 2.801 9.299 -3.961 112 HE3 LYS 13 HE3 LYS 13 1.252 9.097 -3.146 113 HZ1 LYS 13 HZ1 LYS 13 2.990 11.477 -2.751 114 HZ2 LYS 13 HZ2 LYS 13 1.366 11.283 -2.288 115 HZ3 LYS 13 HZ3 LYS 13 1.771 11.401 -3.932 116 H VAL 14 H VAL 14 4.582 7.262 1.810 117 HA VAL 14 HA VAL 14 6.609 8.095 3.786 118 HB VAL 14 HB VAL 14 4.519 5.946 4.167 119 HG11 VAL 14 HG11 VAL 14 6.454 7.201 6.111 120 HG12 VAL 14 HG12 VAL 14 6.602 5.591 5.405 121 HG13 VAL 14 HG13 VAL 14 5.261 5.959 6.491 122 HG21 VAL 14 HG21 VAL 14 3.439 7.477 5.749 123 HG22 VAL 14 HG22 VAL 14 3.446 8.142 4.115 124 HG23 VAL 14 HG23 VAL 14 4.592 8.738 5.316 125 H ALA 15 H ALA 15 8.499 7.179 3.333 126 HA ALA 15 HA ALA 15 8.615 4.743 1.745 127 HB1 ALA 15 HB1 ALA 15 10.827 6.540 2.736 128 HB2 ALA 15 HB2 ALA 15 10.073 6.602 1.142 129 HB3 ALA 15 HB3 ALA 15 11.015 5.189 1.616 130 H GLY 16 H GLY 16 9.288 5.872 4.981 131 HA2 GLY 16 HA2 GLY 16 9.603 3.098 5.836 132 HA3 GLY 16 HA3 GLY 16 10.915 4.213 6.197 133 H TYR 17 H TYR 17 9.215 2.764 8.051 134 HA TYR 17 HA TYR 17 7.898 5.032 9.396 135 HB2 TYR 17 HB2 TYR 17 6.900 2.494 8.764 136 HB3 TYR 17 HB3 TYR 17 7.259 2.412 10.484 137 HD1 TYR 17 HD1 TYR 17 6.084 3.880 12.068 138 HD2 TYR 17 HD2 TYR 17 5.150 3.908 7.919 139 HE1 TYR 17 HE1 TYR 17 3.991 5.077 12.550 140 HE2 TYR 17 HE2 TYR 17 3.054 5.102 8.394 141 HH TYR 17 HH TYR 17 1.492 5.384 10.323 142 H ILE 18 H ILE 18 8.897 5.768 11.156 143 HA ILE 18 HA ILE 18 11.056 4.154 12.278 144 HB ILE 18 HB ILE 18 11.592 6.475 11.677 145 HG12 ILE 18 HG12 ILE 18 12.596 7.145 13.883 146 HG13 ILE 18 HG13 ILE 18 11.693 5.828 14.626 147 HG21 ILE 18 HG21 ILE 18 9.623 7.256 13.813 148 HG22 ILE 18 HG22 ILE 18 9.450 7.532 12.080 149 HG23 ILE 18 HG23 ILE 18 10.727 8.351 12.981 150 HD11 ILE 18 HD11 ILE 18 12.872 4.222 13.235 151 HD12 ILE 18 HD12 ILE 18 13.996 5.197 14.181 152 HD13 ILE 18 HD13 ILE 18 13.765 5.534 12.466 153 H GLU 19 H GLU 19 10.659 2.923 13.935 154 HA GLU 19 HA GLU 19 8.552 3.716 15.824 155 HB2 GLU 19 HB2 GLU 19 9.057 0.921 14.786 156 HB3 GLU 19 HB3 GLU 19 7.824 1.387 15.951 157 HG2 GLU 19 HG2 GLU 19 6.737 2.764 14.253 158 HG3 GLU 19 HG3 GLU 19 7.973 2.301 13.085 159 H ILE 20 H ILE 20 9.398 4.025 17.730 160 HA ILE 20 HA ILE 20 11.520 2.207 18.671 161 HB ILE 20 HB ILE 20 11.212 5.131 19.391 162 HG12 ILE 20 HG12 ILE 20 13.338 3.761 17.725 163 HG13 ILE 20 HG13 ILE 20 12.023 4.725 17.068 164 HG21 ILE 20 HG21 ILE 20 12.112 3.836 21.231 165 HG22 ILE 20 HG22 ILE 20 13.388 4.822 20.515 166 HG23 ILE 20 HG23 ILE 20 13.303 3.095 20.162 167 HD11 ILE 20 HD11 ILE 20 12.888 6.687 18.240 168 HD12 ILE 20 HD12 ILE 20 14.074 5.994 17.134 169 HD13 ILE 20 HD13 ILE 20 14.219 5.713 18.868 170 HA PRO 21 HA PRO 21 7.960 1.240 21.235 171 HB2 PRO 21 HB2 PRO 21 9.276 -0.761 22.624 172 HB3 PRO 21 HB3 PRO 21 8.432 -0.974 21.087 173 HG2 PRO 21 HG2 PRO 21 11.350 -0.592 21.611 174 HG3 PRO 21 HG3 PRO 21 10.548 -1.654 20.440 175 HD2 PRO 21 HD2 PRO 21 11.679 0.657 19.690 176 HD3 PRO 21 HD3 PRO 21 10.179 0.069 18.941 177 H ASP 22 H ASP 22 11.211 1.811 22.486 178 HA ASP 22 HA ASP 22 10.462 1.934 25.218 179 HB2 ASP 22 HB2 ASP 22 12.810 1.574 24.292 180 HB3 ASP 22 HB3 ASP 22 12.861 3.309 24.003 181 H ALA 23 H ALA 23 10.295 4.164 22.610 182 HA ALA 23 HA ALA 23 9.683 6.352 24.480 183 HB1 ALA 23 HB1 ALA 23 10.359 7.902 22.745 184 HB2 ALA 23 HB2 ALA 23 10.678 6.559 21.645 185 HB3 ALA 23 HB3 ALA 23 11.660 6.763 23.097 186 H ASP 24 H ASP 24 8.127 4.124 22.830 187 HA ASP 24 HA ASP 24 6.044 3.862 21.962 188 HB2 ASP 24 HB2 ASP 24 5.607 6.558 23.268 189 HB3 ASP 24 HB3 ASP 24 4.320 5.562 22.597 190 H ILE 25 H ILE 25 8.141 5.196 20.385 191 HA ILE 25 HA ILE 25 6.775 7.184 18.784 192 HB ILE 25 HB ILE 25 9.528 5.959 18.506 193 HG12 ILE 25 HG12 ILE 25 8.632 8.677 19.500 194 HG13 ILE 25 HG13 ILE 25 9.236 7.363 20.506 195 HG21 ILE 25 HG21 ILE 25 8.279 8.248 16.990 196 HG22 ILE 25 HG22 ILE 25 8.721 6.671 16.333 197 HG23 ILE 25 HG23 ILE 25 9.976 7.772 16.902 198 HD11 ILE 25 HD11 ILE 25 11.403 7.517 19.411 199 HD12 ILE 25 HD12 ILE 25 10.934 9.061 20.124 200 HD13 ILE 25 HD13 ILE 25 10.798 8.816 18.382 201 H LYS 26 H LYS 26 5.553 6.722 17.101 202 HA LYS 26 HA LYS 26 6.360 4.605 15.262 203 HB2 LYS 26 HB2 LYS 26 3.597 4.866 16.465 204 HB3 LYS 26 HB3 LYS 26 3.906 3.985 14.977 205 HG2 LYS 26 HG2 LYS 26 5.248 2.382 16.120 206 HG3 LYS 26 HG3 LYS 26 5.216 3.334 17.606 207 HD2 LYS 26 HD2 LYS 26 3.662 1.468 17.753 208 HD3 LYS 26 HD3 LYS 26 2.793 3.002 17.758 209 HE2 LYS 26 HE2 LYS 26 1.589 1.551 16.330 210 HE3 LYS 26 HE3 LYS 26 2.442 2.683 15.283 211 HZ1 LYS 26 HZ1 LYS 26 3.306 -0.094 15.903 212 HZ2 LYS 26 HZ2 LYS 26 4.131 0.988 14.890 213 HZ3 LYS 26 HZ3 LYS 26 2.592 0.424 14.454 214 H GLU 27 H GLU 27 7.070 6.401 14.006 215 HA GLU 27 HA GLU 27 4.892 8.089 12.963 216 HB2 GLU 27 HB2 GLU 27 7.650 8.882 13.870 217 HB3 GLU 27 HB3 GLU 27 6.698 9.893 12.790 218 HG2 GLU 27 HG2 GLU 27 5.705 8.971 15.471 219 HG3 GLU 27 HG3 GLU 27 6.598 10.474 15.234 220 HA PRO 28 HA PRO 28 6.411 6.981 8.910 221 HB2 PRO 28 HB2 PRO 28 5.264 9.026 7.538 222 HB3 PRO 28 HB3 PRO 28 4.349 7.629 8.116 223 HG2 PRO 28 HG2 PRO 28 4.618 10.350 9.342 224 HG3 PRO 28 HG3 PRO 28 3.160 9.363 9.126 225 HD2 PRO 28 HD2 PRO 28 4.450 9.495 11.487 226 HD3 PRO 28 HD3 PRO 28 3.661 8.006 10.937 227 H VAL 29 H VAL 29 8.229 7.487 7.777 228 HA VAL 29 HA VAL 29 9.590 9.997 8.445 229 HB VAL 29 HB VAL 29 10.675 7.549 7.031 230 HG11 VAL 29 HG11 VAL 29 11.826 9.567 6.338 231 HG12 VAL 29 HG12 VAL 29 12.873 8.597 7.375 232 HG13 VAL 29 HG13 VAL 29 12.073 10.031 8.022 233 HG21 VAL 29 HG21 VAL 29 11.093 8.513 9.856 234 HG22 VAL 29 HG22 VAL 29 11.916 7.145 9.102 235 HG23 VAL 29 HG23 VAL 29 10.174 7.091 9.366 236 H TYR 30 H TYR 30 9.938 11.521 6.941 237 HA TYR 30 HA TYR 30 8.458 11.166 4.454 238 HB2 TYR 30 HB2 TYR 30 9.578 13.680 5.707 239 HB3 TYR 30 HB3 TYR 30 8.529 13.612 4.291 240 HD1 TYR 30 HD1 TYR 30 6.367 11.984 4.815 241 HD2 TYR 30 HD2 TYR 30 8.499 14.352 7.632 242 HE1 TYR 30 HE1 TYR 30 4.394 11.999 6.279 243 HE2 TYR 30 HE2 TYR 30 6.533 14.370 9.111 244 HH TYR 30 HH TYR 30 4.165 14.051 9.044 245 HA PRO 31 HA PRO 31 12.453 10.343 2.655 246 HB2 PRO 31 HB2 PRO 31 11.478 9.537 0.249 247 HB3 PRO 31 HB3 PRO 31 11.490 8.507 1.685 248 HG2 PRO 31 HG2 PRO 31 9.246 10.107 0.519 249 HG3 PRO 31 HG3 PRO 31 9.222 8.466 1.191 250 HD2 PRO 31 HD2 PRO 31 8.374 10.631 2.580 251 HD3 PRO 31 HD3 PRO 31 9.114 9.219 3.366 252 H GLY 32 H GLY 32 13.824 11.449 1.357 253 HA2 GLY 32 HA2 GLY 32 13.919 12.609 -0.885 254 HA3 GLY 32 HA3 GLY 32 12.700 13.679 -0.203 255 HA PRO 33 HA PRO 33 16.898 15.428 0.720 256 HB2 PRO 33 HB2 PRO 33 16.044 17.896 -0.482 257 HB3 PRO 33 HB3 PRO 33 17.318 16.804 -1.018 258 HG2 PRO 33 HG2 PRO 33 14.958 17.242 -2.366 259 HG3 PRO 33 HG3 PRO 33 15.975 15.802 -2.552 260 HD2 PRO 33 HD2 PRO 33 13.456 16.161 -0.999 261 HD3 PRO 33 HD3 PRO 33 14.042 14.741 -1.885 262 H ALA 34 H ALA 34 17.421 17.250 2.090 263 HA ALA 34 HA ALA 34 15.364 17.676 4.062 264 HB1 ALA 34 HB1 ALA 34 17.107 18.667 5.397 265 HB2 ALA 34 HB2 ALA 34 18.186 18.726 4.004 266 HB3 ALA 34 HB3 ALA 34 17.707 17.169 4.681 267 H THR 35 H THR 35 14.079 19.366 4.164 268 HA THR 35 HA THR 35 14.984 21.927 3.057 269 HB THR 35 HB THR 35 12.641 22.383 2.337 270 HG1 THR 35 HG1 THR 35 11.294 20.470 2.088 271 HG21 THR 35 HG21 THR 35 14.030 20.008 1.095 272 HG22 THR 35 HG22 THR 35 14.232 21.708 0.666 273 HG23 THR 35 HG23 THR 35 12.704 20.892 0.335 274 HA PRO 36 HA PRO 36 14.418 23.454 7.123 275 HB2 PRO 36 HB2 PRO 36 13.329 25.950 6.363 276 HB3 PRO 36 HB3 PRO 36 15.024 25.580 6.684 277 HG2 PRO 36 HG2 PRO 36 13.578 25.751 4.094 278 HG3 PRO 36 HG3 PRO 36 15.269 26.129 4.467 279 HD2 PRO 36 HD2 PRO 36 14.596 23.905 3.137 280 HD3 PRO 36 HD3 PRO 36 15.925 23.907 4.318 281 H GLU 37 H GLU 37 11.735 23.896 4.860 282 HA GLU 37 HA GLU 37 9.752 24.422 6.804 283 HB2 GLU 37 HB2 GLU 37 9.338 25.038 4.524 284 HB3 GLU 37 HB3 GLU 37 9.571 23.384 3.973 285 HG2 GLU 37 HG2 GLU 37 7.561 22.705 5.201 286 HG3 GLU 37 HG3 GLU 37 7.321 24.375 5.710 287 H GLN 38 H GLN 38 10.592 21.421 5.053 288 HA GLN 38 HA GLN 38 8.503 19.919 6.216 289 HB2 GLN 38 HB2 GLN 38 9.711 19.389 4.064 290 HB3 GLN 38 HB3 GLN 38 11.052 18.806 5.046 291 HG2 GLN 38 HG2 GLN 38 9.647 16.970 4.314 292 HG3 GLN 38 HG3 GLN 38 9.597 17.143 6.068 293 HE21 GLN 38 HE21 GLN 38 7.631 16.102 6.259 294 HE22 GLN 38 HE22 GLN 38 6.143 16.814 5.744 295 H LEU 39 H LEU 39 11.855 20.456 7.123 296 HA LEU 39 HA LEU 39 11.997 18.428 9.080 297 HB2 LEU 39 HB2 LEU 39 13.577 20.876 8.445 298 HB3 LEU 39 HB3 LEU 39 13.882 20.023 9.946 299 HG LEU 39 HG LEU 39 15.426 19.376 8.140 300 HD11 LEU 39 HD11 LEU 39 14.974 17.809 9.926 301 HD12 LEU 39 HD12 LEU 39 15.188 16.949 8.400 302 HD13 LEU 39 HD13 LEU 39 13.569 17.195 9.056 303 HD21 LEU 39 HD21 LEU 39 13.980 19.609 6.215 304 HD22 LEU 39 HD22 LEU 39 12.965 18.287 6.795 305 HD23 LEU 39 HD23 LEU 39 14.628 17.970 6.295 306 H ASN 40 H ASN 40 10.232 21.295 9.085 307 HA ASN 40 HA ASN 40 10.163 21.393 12.025 308 HB2 ASN 40 HB2 ASN 40 10.408 23.529 10.698 309 HB3 ASN 40 HB3 ASN 40 8.785 23.251 10.072 310 HD21 ASN 40 HD21 ASN 40 7.871 25.050 10.982 311 HD22 ASN 40 HD22 ASN 40 7.655 25.247 12.687 312 H ARG 41 H ARG 41 8.692 19.886 9.499 313 HA ARG 41 HA ARG 41 6.014 19.851 10.719 314 HB2 ARG 41 HB2 ARG 41 6.806 18.794 8.000 315 HB3 ARG 41 HB3 ARG 41 5.184 19.127 8.591 316 HG2 ARG 41 HG2 ARG 41 5.581 21.486 8.559 317 HG3 ARG 41 HG3 ARG 41 7.288 21.241 8.190 318 HD2 ARG 41 HD2 ARG 41 6.390 21.784 6.127 319 HD3 ARG 41 HD3 ARG 41 6.422 20.023 6.089 320 HE ARG 41 HE ARG 41 3.934 21.053 7.056 321 HH11 ARG 41 HH11 ARG 41 5.772 20.257 4.184 322 HH12 ARG 41 HH12 ARG 41 4.385 20.204 3.146 323 HH21 ARG 41 HH21 ARG 41 2.104 20.998 5.708 324 HH22 ARG 41 HH22 ARG 41 2.278 20.624 4.018 325 H GLY 42 H GLY 42 8.724 17.893 9.729 326 HA2 GLY 42 HA2 GLY 42 8.101 15.854 11.625 327 HA3 GLY 42 HA3 GLY 42 7.765 15.317 9.984 328 H VAL 43 H VAL 43 9.407 13.750 10.190 329 HA VAL 43 HA VAL 43 12.161 14.772 10.300 330 HB VAL 43 HB VAL 43 11.137 11.941 10.624 331 HG11 VAL 43 HG11 VAL 43 13.407 12.011 9.734 332 HG12 VAL 43 HG12 VAL 43 13.389 11.414 11.393 333 HG13 VAL 43 HG13 VAL 43 13.897 13.068 11.057 334 HG21 VAL 43 HG21 VAL 43 11.697 12.231 12.997 335 HG22 VAL 43 HG22 VAL 43 10.455 13.369 12.474 336 HG23 VAL 43 HG23 VAL 43 12.120 13.914 12.685 337 H SER 44 H SER 44 13.477 14.613 8.564 338 HA SER 44 HA SER 44 12.636 12.933 6.316 339 HB2 SER 44 HB2 SER 44 13.511 15.823 6.070 340 HB3 SER 44 HB3 SER 44 13.179 14.736 4.721 341 HG SER 44 HG SER 44 11.113 14.729 6.439 342 H PHE 45 H PHE 45 14.417 12.598 4.741 343 HA PHE 45 HA PHE 45 16.764 11.835 6.176 344 HB2 PHE 45 HB2 PHE 45 16.106 11.696 3.230 345 HB3 PHE 45 HB3 PHE 45 17.551 11.002 3.960 346 HD1 PHE 45 HD1 PHE 45 17.205 9.269 5.815 347 HD2 PHE 45 HD2 PHE 45 14.154 10.470 3.111 348 HE1 PHE 45 HE1 PHE 45 15.964 7.201 6.302 349 HE2 PHE 45 HE2 PHE 45 12.906 8.406 3.590 350 HZ PHE 45 HZ PHE 45 13.813 6.769 5.190 351 H ALA 46 H ALA 46 18.866 12.503 5.889 352 HA ALA 46 HA ALA 46 19.191 15.239 4.899 353 HB1 ALA 46 HB1 ALA 46 21.342 15.193 6.059 354 HB2 ALA 46 HB2 ALA 46 21.085 13.499 6.479 355 HB3 ALA 46 HB3 ALA 46 20.025 14.745 7.144 356 H GLU 47 H GLU 47 19.648 12.051 3.958 357 HA GLU 47 HA GLU 47 21.949 12.442 2.281 358 HB2 GLU 47 HB2 GLU 47 19.964 10.162 2.435 359 HB3 GLU 47 HB3 GLU 47 21.446 10.147 1.491 360 HG2 GLU 47 HG2 GLU 47 21.352 10.485 4.475 361 HG3 GLU 47 HG3 GLU 47 21.589 8.942 3.660 362 H GLU 48 H GLU 48 21.973 12.986 0.195 363 HA GLU 48 HA GLU 48 19.510 13.850 -1.046 364 HB2 GLU 48 HB2 GLU 48 20.998 14.651 -2.854 365 HB3 GLU 48 HB3 GLU 48 21.479 15.246 -1.271 366 HG2 GLU 48 HG2 GLU 48 23.197 13.489 -1.160 367 HG3 GLU 48 HG3 GLU 48 22.741 12.970 -2.780 368 H ASN 49 H ASN 49 21.062 10.958 -0.817 369 HA ASN 49 HA ASN 49 20.612 10.077 -3.556 370 HB2 ASN 49 HB2 ASN 49 22.539 9.450 -1.711 371 HB3 ASN 49 HB3 ASN 49 21.439 8.088 -1.547 372 HD21 ASN 49 HD21 ASN 49 20.600 8.098 -4.328 373 HD22 ASN 49 HD22 ASN 49 21.939 7.507 -5.241 374 H GLU 50 H GLU 50 18.878 8.944 -4.179 375 HA GLU 50 HA GLU 50 16.668 8.680 -2.387 376 HB2 GLU 50 HB2 GLU 50 15.393 8.076 -4.291 377 HB3 GLU 50 HB3 GLU 50 16.536 9.293 -4.830 378 HG2 GLU 50 HG2 GLU 50 16.705 6.325 -5.290 379 HG3 GLU 50 HG3 GLU 50 16.353 7.568 -6.488 380 H SER 51 H SER 51 19.122 6.924 -2.035 381 HA SER 51 HA SER 51 17.914 4.281 -2.422 382 HB2 SER 51 HB2 SER 51 20.787 5.009 -1.900 383 HB3 SER 51 HB3 SER 51 20.177 3.396 -2.238 384 HG SER 51 HG SER 51 19.664 5.475 -4.073 385 H LEU 52 H LEU 52 16.792 3.770 -0.667 386 HA LEU 52 HA LEU 52 17.950 4.125 1.981 387 HB2 LEU 52 HB2 LEU 52 15.788 2.929 2.687 388 HB3 LEU 52 HB3 LEU 52 15.668 4.560 2.062 389 HG LEU 52 HG LEU 52 15.039 3.555 -0.166 390 HD11 LEU 52 HD11 LEU 52 14.657 1.050 1.468 391 HD12 LEU 52 HD12 LEU 52 15.915 1.291 0.257 392 HD13 LEU 52 HD13 LEU 52 14.219 1.286 -0.225 393 HD21 LEU 52 HD21 LEU 52 13.397 4.548 1.316 394 HD22 LEU 52 HD22 LEU 52 13.239 3.027 2.192 395 HD23 LEU 52 HD23 LEU 52 12.725 3.133 0.509 396 H ASP 53 H ASP 53 18.546 2.197 -0.421 397 HA ASP 53 HA ASP 53 18.623 -0.360 0.958 398 HB2 ASP 53 HB2 ASP 53 17.981 -0.181 -1.454 399 HB3 ASP 53 HB3 ASP 53 19.606 0.391 -1.808 400 H ASP 54 H ASP 54 20.472 2.395 0.693 401 HA ASP 54 HA ASP 54 23.089 1.198 0.796 402 HB2 ASP 54 HB2 ASP 54 22.555 3.531 -0.093 403 HB3 ASP 54 HB3 ASP 54 22.336 4.021 1.583 404 H GLN 55 H GLN 55 24.523 1.527 2.717 405 HA GLN 55 HA GLN 55 23.044 0.613 5.043 406 HB2 GLN 55 HB2 GLN 55 25.059 -0.244 5.873 407 HB3 GLN 55 HB3 GLN 55 25.173 -0.488 4.138 408 HG2 GLN 55 HG2 GLN 55 26.459 1.759 5.668 409 HG3 GLN 55 HG3 GLN 55 27.268 0.286 5.144 410 HE21 GLN 55 HE21 GLN 55 27.695 3.123 4.541 411 HE22 GLN 55 HE22 GLN 55 27.683 3.248 2.817 412 H ASN 56 H ASN 56 24.319 3.550 3.901 413 HA ASN 56 HA ASN 56 24.395 4.645 6.635 414 HB2 ASN 56 HB2 ASN 56 26.405 5.105 5.332 415 HB3 ASN 56 HB3 ASN 56 25.435 5.821 4.049 416 HD21 ASN 56 HD21 ASN 56 24.616 7.879 4.305 417 HD22 ASN 56 HD22 ASN 56 25.100 8.927 5.595 418 H ILE 57 H ILE 57 22.456 5.263 7.241 419 HA ILE 57 HA ILE 57 20.810 6.780 5.326 420 HB ILE 57 HB ILE 57 20.005 4.890 7.524 421 HG12 ILE 57 HG12 ILE 57 20.413 3.877 5.361 422 HG13 ILE 57 HG13 ILE 57 18.689 3.841 5.714 423 HG21 ILE 57 HG21 ILE 57 18.548 6.675 7.942 424 HG22 ILE 57 HG22 ILE 57 17.624 5.557 6.932 425 HG23 ILE 57 HG23 ILE 57 18.329 7.009 6.221 426 HD11 ILE 57 HD11 ILE 57 18.335 5.737 4.231 427 HD12 ILE 57 HD12 ILE 57 19.133 4.412 3.384 428 HD13 ILE 57 HD13 ILE 57 20.068 5.813 3.904 429 H SER 58 H SER 58 21.285 8.866 5.803 430 HA SER 58 HA SER 58 21.367 9.695 8.598 431 HB2 SER 58 HB2 SER 58 21.779 11.420 6.151 432 HB3 SER 58 HB3 SER 58 22.253 11.778 7.811 433 HG SER 58 HG SER 58 23.692 10.606 5.953 434 H ILE 59 H ILE 59 19.682 10.584 9.597 435 HA ILE 59 HA ILE 59 17.526 11.761 7.961 436 HB ILE 59 HB ILE 59 16.699 10.581 10.538 437 HG12 ILE 59 HG12 ILE 59 17.383 8.781 8.199 438 HG13 ILE 59 HG13 ILE 59 18.264 8.837 9.722 439 HG21 ILE 59 HG21 ILE 59 15.127 11.618 8.992 440 HG22 ILE 59 HG22 ILE 59 14.762 9.904 9.192 441 HG23 ILE 59 HG23 ILE 59 15.584 10.465 7.737 442 HD11 ILE 59 HD11 ILE 59 16.253 8.072 10.895 443 HD12 ILE 59 HD12 ILE 59 16.777 6.933 9.656 444 HD13 ILE 59 HD13 ILE 59 15.399 7.989 9.354 445 H ALA 60 H ALA 60 16.582 13.650 8.847 446 HA ALA 60 HA ALA 60 18.024 14.694 11.205 447 HB1 ALA 60 HB1 ALA 60 17.819 16.926 10.244 448 HB2 ALA 60 HB2 ALA 60 17.005 16.249 8.833 449 HB3 ALA 60 HB3 ALA 60 18.689 15.838 9.161 450 H GLY 61 H GLY 61 16.889 15.922 12.719 451 HA2 GLY 61 HA2 GLY 61 14.036 16.353 12.360 452 HA3 GLY 61 HA3 GLY 61 14.465 15.169 13.588 453 H HIS 62 H HIS 62 13.223 16.882 14.866 454 HA HIS 62 HA HIS 62 15.190 18.724 16.013 455 HB2 HIS 62 HB2 HIS 62 12.434 19.466 15.044 456 HB3 HIS 62 HB3 HIS 62 13.264 20.409 16.278 457 HD1 HIS 62 HD1 HIS 62 12.812 20.264 12.720 458 HD2 HIS 62 HD2 HIS 62 15.955 21.279 15.255 459 HE1 HIS 62 HE1 HIS 62 14.397 21.632 11.328 460 H THR 63 H THR 63 14.633 19.458 18.173 461 HA THR 63 HA THR 63 13.747 17.234 19.740 462 HB THR 63 HB THR 63 15.732 18.702 20.263 463 HG1 THR 63 HG1 THR 63 15.470 18.385 22.428 464 HG21 THR 63 HG21 THR 63 13.565 20.583 21.179 465 HG22 THR 63 HG22 THR 63 14.675 20.852 19.838 466 HG23 THR 63 HG23 THR 63 15.290 20.775 21.488 467 H PHE 64 H PHE 64 12.647 18.256 21.946 468 HA PHE 64 HA PHE 64 10.018 19.209 21.025 469 HB2 PHE 64 HB2 PHE 64 9.111 18.095 23.032 470 HB3 PHE 64 HB3 PHE 64 9.993 16.958 22.018 471 HD1 PHE 64 HD1 PHE 64 12.319 16.276 22.695 472 HD2 PHE 64 HD2 PHE 64 9.737 18.482 25.262 473 HE1 PHE 64 HE1 PHE 64 13.708 15.647 24.626 474 HE2 PHE 64 HE2 PHE 64 11.125 17.860 27.194 475 HZ PHE 64 HZ PHE 64 13.112 16.445 26.878 476 H ILE 65 H ILE 65 9.091 20.965 22.003 477 HA ILE 65 HA ILE 65 10.449 22.066 24.352 478 HB ILE 65 HB ILE 65 9.299 23.809 22.178 479 HG12 ILE 65 HG12 ILE 65 11.838 24.534 22.126 480 HG13 ILE 65 HG13 ILE 65 12.096 22.902 22.732 481 HG21 ILE 65 HG21 ILE 65 10.328 25.648 23.442 482 HG22 ILE 65 HG22 ILE 65 10.828 24.499 24.684 483 HG23 ILE 65 HG23 ILE 65 9.114 24.791 24.391 484 HD11 ILE 65 HD11 ILE 65 10.708 23.632 20.162 485 HD12 ILE 65 HD12 ILE 65 10.961 21.996 20.771 486 HD13 ILE 65 HD13 ILE 65 12.344 22.993 20.326 487 H ASP 66 H ASP 66 7.674 23.528 22.784 488 HA ASP 66 HA ASP 66 6.041 22.839 25.108 489 HB2 ASP 66 HB2 ASP 66 5.610 24.777 22.827 490 HB3 ASP 66 HB3 ASP 66 4.393 24.443 24.054 491 H ARG 67 H ARG 67 6.546 21.996 21.851 492 HA ARG 67 HA ARG 67 3.828 20.983 21.506 493 HB2 ARG 67 HB2 ARG 67 6.075 21.365 19.521 494 HB3 ARG 67 HB3 ARG 67 4.506 20.681 19.123 495 HG2 ARG 67 HG2 ARG 67 5.007 23.464 20.154 496 HG3 ARG 67 HG3 ARG 67 4.634 23.020 18.487 497 HD2 ARG 67 HD2 ARG 67 2.495 22.022 19.343 498 HD3 ARG 67 HD3 ARG 67 2.862 22.750 20.906 499 HE ARG 67 HE ARG 67 2.948 24.683 18.822 500 HH11 ARG 67 HH11 ARG 67 0.787 22.916 20.930 501 HH12 ARG 67 HH12 ARG 67 -0.543 24.011 20.697 502 HH21 ARG 67 HH21 ARG 67 1.209 26.148 18.531 503 HH22 ARG 67 HH22 ARG 67 -0.300 25.852 19.346 504 HA PRO 68 HA PRO 68 5.597 16.884 22.168 505 HB2 PRO 68 HB2 PRO 68 3.285 15.650 22.711 506 HB3 PRO 68 HB3 PRO 68 4.049 16.721 23.893 507 HG2 PRO 68 HG2 PRO 68 1.751 17.258 22.055 508 HG3 PRO 68 HG3 PRO 68 1.963 17.729 23.751 509 HD2 PRO 68 HD2 PRO 68 2.422 19.388 21.592 510 HD3 PRO 68 HD3 PRO 68 3.149 19.602 23.196 511 H ASN 69 H ASN 69 4.156 18.247 19.647 512 HA ASN 69 HA ASN 69 3.253 15.821 18.311 513 HB2 ASN 69 HB2 ASN 69 2.712 18.691 18.006 514 HB3 ASN 69 HB3 ASN 69 2.878 17.821 16.484 515 HD21 ASN 69 HD21 ASN 69 1.746 16.183 19.324 516 HD22 ASN 69 HD22 ASN 69 0.096 16.027 18.824 517 H TYR 70 H TYR 70 6.178 16.888 18.803 518 HA TYR 70 HA TYR 70 7.106 16.622 16.050 519 HB2 TYR 70 HB2 TYR 70 8.518 17.178 18.653 520 HB3 TYR 70 HB3 TYR 70 9.418 16.684 17.225 521 HD1 TYR 70 HD1 TYR 70 7.065 19.285 18.487 522 HD2 TYR 70 HD2 TYR 70 10.022 18.258 15.605 523 HE1 TYR 70 HE1 TYR 70 7.120 21.621 17.714 524 HE2 TYR 70 HE2 TYR 70 10.083 20.587 14.824 525 HH TYR 70 HH TYR 70 8.766 22.578 14.831 526 H GLN 71 H GLN 71 8.347 14.844 15.338 527 HA GLN 71 HA GLN 71 7.114 12.447 16.203 528 HB2 GLN 71 HB2 GLN 71 9.435 12.568 14.298 529 HB3 GLN 71 HB3 GLN 71 8.090 11.434 14.319 530 HG2 GLN 71 HG2 GLN 71 6.630 13.518 13.867 531 HG3 GLN 71 HG3 GLN 71 8.148 14.272 13.384 532 HE21 GLN 71 HE21 GLN 71 5.687 12.036 12.559 533 HE22 GLN 71 HE22 GLN 71 6.278 11.652 10.975 534 H PHE 72 H PHE 72 9.835 13.985 17.401 535 HA PHE 72 HA PHE 72 10.711 11.473 18.648 536 HB2 PHE 72 HB2 PHE 72 12.434 13.642 17.466 537 HB3 PHE 72 HB3 PHE 72 13.050 12.534 18.687 538 HD1 PHE 72 HD1 PHE 72 12.424 9.974 18.132 539 HD2 PHE 72 HD2 PHE 72 12.903 13.102 15.289 540 HE1 PHE 72 HE1 PHE 72 12.924 8.308 16.396 541 HE2 PHE 72 HE2 PHE 72 13.396 11.438 13.543 542 HZ PHE 72 HZ PHE 72 13.408 9.038 14.097 543 H THR 73 H THR 73 8.849 13.451 19.640 544 HA THR 73 HA THR 73 10.074 15.210 21.474 545 HB THR 73 HB THR 73 7.781 15.130 22.621 546 HG1 THR 73 HG1 THR 73 6.603 14.061 20.400 547 HG21 THR 73 HG21 THR 73 8.441 16.851 21.012 548 HG22 THR 73 HG22 THR 73 6.735 16.429 20.855 549 HG23 THR 73 HG23 THR 73 7.906 15.806 19.694 550 H ASN 74 H ASN 74 9.106 11.836 21.729 551 HA ASN 74 HA ASN 74 9.821 11.851 24.571 552 HB2 ASN 74 HB2 ASN 74 7.641 10.830 23.733 553 HB3 ASN 74 HB3 ASN 74 8.622 9.545 23.041 554 HD21 ASN 74 HD21 ASN 74 7.664 8.000 24.354 555 HD22 ASN 74 HD22 ASN 74 8.028 7.878 26.041 556 H LEU 75 H LEU 75 11.591 11.740 21.997 557 HA LEU 75 HA LEU 75 12.962 9.263 22.059 558 HB2 LEU 75 HB2 LEU 75 13.047 10.911 20.196 559 HB3 LEU 75 HB3 LEU 75 14.040 11.944 21.206 560 HG LEU 75 HG LEU 75 15.773 10.182 21.277 561 HD11 LEU 75 HD11 LEU 75 14.327 8.239 20.949 562 HD12 LEU 75 HD12 LEU 75 15.626 8.280 19.758 563 HD13 LEU 75 HD13 LEU 75 13.993 8.763 19.298 564 HD21 LEU 75 HD21 LEU 75 14.907 10.995 18.510 565 HD22 LEU 75 HD22 LEU 75 16.522 10.454 18.973 566 HD23 LEU 75 HD23 LEU 75 15.878 11.964 19.618 567 H LYS 76 H LYS 76 12.868 11.817 24.223 568 HA LYS 76 HA LYS 76 15.457 11.842 25.308 569 HB2 LYS 76 HB2 LYS 76 14.368 12.867 27.274 570 HB3 LYS 76 HB3 LYS 76 13.833 13.596 25.766 571 HG2 LYS 76 HG2 LYS 76 11.827 12.060 25.889 572 HG3 LYS 76 HG3 LYS 76 12.334 11.687 27.538 573 HD2 LYS 76 HD2 LYS 76 12.214 14.078 28.099 574 HD3 LYS 76 HD3 LYS 76 11.672 14.425 26.456 575 HE2 LYS 76 HE2 LYS 76 9.721 14.376 27.770 576 HE3 LYS 76 HE3 LYS 76 9.746 12.839 26.909 577 HZ1 LYS 76 HZ1 LYS 76 10.605 13.265 29.721 578 HZ2 LYS 76 HZ2 LYS 76 10.628 11.783 28.903 579 HZ3 LYS 76 HZ3 LYS 76 9.151 12.545 29.228 580 H ALA 77 H ALA 77 12.827 9.611 25.632 581 HA ALA 77 HA ALA 77 13.728 8.480 28.122 582 HB1 ALA 77 HB1 ALA 77 11.348 8.534 27.551 583 HB2 ALA 77 HB2 ALA 77 11.913 6.886 27.827 584 HB3 ALA 77 HB3 ALA 77 11.654 7.465 26.181 585 H ALA 78 H ALA 78 13.903 7.627 24.712 586 HA ALA 78 HA ALA 78 14.636 4.956 24.955 587 HB1 ALA 78 HB1 ALA 78 15.409 5.106 22.667 588 HB2 ALA 78 HB2 ALA 78 15.432 6.867 22.766 589 HB3 ALA 78 HB3 ALA 78 13.899 5.999 22.863 590 H LYS 79 H LYS 79 16.528 3.866 25.159 591 HA LYS 79 HA LYS 79 18.800 5.477 26.083 592 HB2 LYS 79 HB2 LYS 79 18.229 2.555 26.591 593 HB3 LYS 79 HB3 LYS 79 19.560 3.476 27.264 594 HG2 LYS 79 HG2 LYS 79 18.067 3.421 29.011 595 HG3 LYS 79 HG3 LYS 79 17.707 4.977 28.265 596 HD2 LYS 79 HD2 LYS 79 15.837 3.896 27.028 597 HD3 LYS 79 HD3 LYS 79 16.171 2.403 27.912 598 HE2 LYS 79 HE2 LYS 79 15.730 3.532 30.023 599 HE3 LYS 79 HE3 LYS 79 15.445 5.048 29.168 600 HZ1 LYS 79 HZ1 LYS 79 13.815 2.576 29.040 601 HZ2 LYS 79 HZ2 LYS 79 13.606 3.882 27.978 602 HZ3 LYS 79 HZ3 LYS 79 13.349 4.091 29.647 603 H LYS 80 H LYS 80 20.941 4.213 25.822 604 HA LYS 80 HA LYS 80 21.416 4.081 23.009 605 HB2 LYS 80 HB2 LYS 80 23.744 3.876 23.533 606 HB3 LYS 80 HB3 LYS 80 23.038 5.070 24.606 607 HG2 LYS 80 HG2 LYS 80 23.486 2.215 25.434 608 HG3 LYS 80 HG3 LYS 80 24.708 3.470 25.622 609 HD2 LYS 80 HD2 LYS 80 21.988 3.338 26.914 610 HD3 LYS 80 HD3 LYS 80 23.561 3.260 27.703 611 HE2 LYS 80 HE2 LYS 80 22.441 5.642 26.232 612 HE3 LYS 80 HE3 LYS 80 22.515 5.456 27.984 613 HZ1 LYS 80 HZ1 LYS 80 24.918 5.427 26.234 614 HZ2 LYS 80 HZ2 LYS 80 24.876 5.519 27.929 615 HZ3 LYS 80 HZ3 LYS 80 24.330 6.824 26.994 616 H GLY 81 H GLY 81 20.250 1.837 25.060 617 HA2 GLY 81 HA2 GLY 81 21.196 -0.320 23.287 618 HA3 GLY 81 HA3 GLY 81 20.987 -0.576 25.010 619 H SER 82 H SER 82 18.850 1.358 23.028 620 HA SER 82 HA SER 82 16.701 -0.517 23.597 621 HB2 SER 82 HB2 SER 82 16.456 1.935 24.148 622 HB3 SER 82 HB3 SER 82 16.507 2.267 22.416 623 HG SER 82 HG SER 82 14.549 0.873 23.899 624 H MET 83 H MET 83 15.014 0.000 21.563 625 HA MET 83 HA MET 83 16.467 -1.097 19.253 626 HB2 MET 83 HB2 MET 83 13.847 -1.961 20.452 627 HB3 MET 83 HB3 MET 83 14.284 -2.351 18.792 628 HG2 MET 83 HG2 MET 83 16.332 -2.974 20.784 629 HG3 MET 83 HG3 MET 83 14.838 -3.897 20.941 630 HE1 MET 83 HE1 MET 83 17.527 -3.873 17.181 631 HE2 MET 83 HE2 MET 83 17.965 -3.096 18.705 632 HE3 MET 83 HE3 MET 83 16.637 -2.457 17.738 633 H VAL 84 H VAL 84 16.354 0.043 17.545 634 HA VAL 84 HA VAL 84 14.094 1.886 17.142 635 HB VAL 84 HB VAL 84 16.875 1.921 15.942 636 HG11 VAL 84 HG11 VAL 84 14.567 3.817 15.539 637 HG12 VAL 84 HG12 VAL 84 15.263 2.738 14.330 638 HG13 VAL 84 HG13 VAL 84 16.214 4.083 14.965 639 HG21 VAL 84 HG21 VAL 84 17.137 3.997 17.215 640 HG22 VAL 84 HG22 VAL 84 16.835 2.613 18.266 641 HG23 VAL 84 HG23 VAL 84 15.537 3.757 17.920 642 H TYR 85 H TYR 85 12.593 1.006 15.874 643 HA TYR 85 HA TYR 85 13.430 -0.938 13.862 644 HB2 TYR 85 HB2 TYR 85 10.716 -0.236 14.984 645 HB3 TYR 85 HB3 TYR 85 10.947 -1.344 13.634 646 HD1 TYR 85 HD1 TYR 85 12.772 -3.224 14.112 647 HD2 TYR 85 HD2 TYR 85 10.546 -1.171 17.098 648 HE1 TYR 85 HE1 TYR 85 13.168 -5.080 15.673 649 HE2 TYR 85 HE2 TYR 85 10.947 -3.017 18.677 650 HH TYR 85 HH TYR 85 11.496 -5.426 18.598 651 H PHE 86 H PHE 86 13.910 -0.199 11.953 652 HA PHE 86 HA PHE 86 12.436 2.117 10.901 653 HB2 PHE 86 HB2 PHE 86 14.952 2.204 10.925 654 HB3 PHE 86 HB3 PHE 86 14.959 0.851 9.799 655 HD1 PHE 86 HD1 PHE 86 12.989 4.012 10.018 656 HD2 PHE 86 HD2 PHE 86 15.567 1.543 7.697 657 HE1 PHE 86 HE1 PHE 86 12.806 5.592 8.140 658 HE2 PHE 86 HE2 PHE 86 15.385 3.119 5.815 659 HZ PHE 86 HZ PHE 86 14.002 5.147 6.037 660 H LYS 87 H LYS 87 10.617 1.343 10.034 661 HA LYS 87 HA LYS 87 10.685 -1.239 8.670 662 HB2 LYS 87 HB2 LYS 87 8.997 -0.640 10.432 663 HB3 LYS 87 HB3 LYS 87 8.280 0.450 9.272 664 HG2 LYS 87 HG2 LYS 87 7.768 -1.385 7.799 665 HG3 LYS 87 HG3 LYS 87 8.604 -2.515 8.868 666 HD2 LYS 87 HD2 LYS 87 6.256 -2.712 9.287 667 HD3 LYS 87 HD3 LYS 87 6.985 -1.888 10.666 668 HE2 LYS 87 HE2 LYS 87 4.989 -0.717 10.173 669 HE3 LYS 87 HE3 LYS 87 6.309 0.287 9.571 670 HZ1 LYS 87 HZ1 LYS 87 5.884 -0.567 7.342 671 HZ2 LYS 87 HZ2 LYS 87 4.492 0.160 7.974 672 HZ3 LYS 87 HZ3 LYS 87 4.622 -1.532 7.924 673 H VAL 88 H VAL 88 11.032 -1.246 6.631 674 HA VAL 88 HA VAL 88 10.185 1.043 4.994 675 HB VAL 88 HB VAL 88 11.671 0.033 3.213 676 HG11 VAL 88 HG11 VAL 88 13.744 0.880 4.248 677 HG12 VAL 88 HG12 VAL 88 12.930 0.899 5.812 678 HG13 VAL 88 HG13 VAL 88 12.368 1.951 4.514 679 HG21 VAL 88 HG21 VAL 88 11.811 -2.244 4.108 680 HG22 VAL 88 HG22 VAL 88 12.661 -1.635 5.528 681 HG23 VAL 88 HG23 VAL 88 13.414 -1.529 3.937 682 H GLY 89 H GLY 89 8.178 0.750 4.307 683 HA2 GLY 89 HA2 GLY 89 6.324 -0.247 3.389 684 HA3 GLY 89 HA3 GLY 89 7.405 -1.450 2.695 685 H ASN 90 H ASN 90 7.729 -3.385 3.739 686 HA ASN 90 HA ASN 90 6.081 -3.850 6.136 687 HB2 ASN 90 HB2 ASN 90 6.649 -5.711 3.824 688 HB3 ASN 90 HB3 ASN 90 5.935 -6.244 5.340 689 HD21 ASN 90 HD21 ASN 90 4.338 -3.828 5.683 690 HD22 ASN 90 HD22 ASN 90 3.046 -3.948 4.530 691 H GLU 91 H GLU 91 9.198 -3.834 4.861 692 HA GLU 91 HA GLU 91 10.189 -6.063 6.423 693 HB2 GLU 91 HB2 GLU 91 11.740 -4.056 4.792 694 HB3 GLU 91 HB3 GLU 91 12.350 -5.574 5.428 695 HG2 GLU 91 HG2 GLU 91 10.745 -6.789 4.017 696 HG3 GLU 91 HG3 GLU 91 10.201 -5.256 3.345 697 H THR 92 H THR 92 11.020 -5.948 8.381 698 HA THR 92 HA THR 92 11.163 -3.290 9.611 699 HB THR 92 HB THR 92 10.993 -5.967 11.003 700 HG1 THR 92 HG1 THR 92 9.133 -5.068 9.567 701 HG21 THR 92 HG21 THR 92 10.468 -3.159 11.985 702 HG22 THR 92 HG22 THR 92 11.893 -4.126 12.361 703 HG23 THR 92 HG23 THR 92 10.303 -4.637 12.932 704 H ARG 93 H ARG 93 13.165 -2.519 9.525 705 HA ARG 93 HA ARG 93 15.443 -4.301 9.997 706 HB2 ARG 93 HB2 ARG 93 15.265 -1.432 9.046 707 HB3 ARG 93 HB3 ARG 93 16.777 -2.296 9.296 708 HG2 ARG 93 HG2 ARG 93 16.470 -3.650 7.471 709 HG3 ARG 93 HG3 ARG 93 14.714 -3.488 7.511 710 HD2 ARG 93 HD2 ARG 93 15.644 -2.324 5.593 711 HD3 ARG 93 HD3 ARG 93 14.908 -1.187 6.717 712 HE ARG 93 HE ARG 93 17.495 -1.138 7.465 713 HH11 ARG 93 HH11 ARG 93 15.966 -0.886 4.320 714 HH12 ARG 93 HH12 ARG 93 17.174 0.185 3.677 715 HH21 ARG 93 HH21 ARG 93 19.080 0.266 6.622 716 HH22 ARG 93 HH22 ARG 93 18.953 0.827 4.982 717 H LYS 94 H LYS 94 16.202 -4.470 12.025 718 HA LYS 94 HA LYS 94 15.370 -2.459 13.976 719 HB2 LYS 94 HB2 LYS 94 16.814 -4.733 15.079 720 HB3 LYS 94 HB3 LYS 94 15.240 -4.092 15.506 721 HG2 LYS 94 HG2 LYS 94 14.723 -6.223 14.827 722 HG3 LYS 94 HG3 LYS 94 14.446 -5.301 13.347 723 HD2 LYS 94 HD2 LYS 94 15.677 -7.344 12.860 724 HD3 LYS 94 HD3 LYS 94 16.686 -5.931 12.549 725 HE2 LYS 94 HE2 LYS 94 18.000 -7.602 13.674 726 HE3 LYS 94 HE3 LYS 94 17.739 -6.243 14.764 727 HZ1 LYS 94 HZ1 LYS 94 16.034 -8.665 14.828 728 HZ2 LYS 94 HZ2 LYS 94 16.184 -7.459 16.013 729 HZ3 LYS 94 HZ3 LYS 94 17.463 -8.539 15.730 730 H TYR 95 H TYR 95 16.711 -1.019 14.742 731 HA TYR 95 HA TYR 95 19.614 -1.500 14.533 732 HB2 TYR 95 HB2 TYR 95 18.097 1.110 14.266 733 HB3 TYR 95 HB3 TYR 95 19.852 0.966 14.291 734 HD1 TYR 95 HD1 TYR 95 16.826 -0.005 12.381 735 HD2 TYR 95 HD2 TYR 95 21.047 0.464 12.342 736 HE1 TYR 95 HE1 TYR 95 16.837 -0.393 9.952 737 HE2 TYR 95 HE2 TYR 95 21.078 0.087 9.916 738 HH TYR 95 HH TYR 95 19.584 -1.192 8.269 739 H LYS 96 H LYS 96 20.891 -0.769 16.272 740 HA LYS 96 HA LYS 96 19.339 -0.198 18.705 741 HB2 LYS 96 HB2 LYS 96 20.560 -2.322 18.791 742 HB3 LYS 96 HB3 LYS 96 22.065 -1.491 18.436 743 HG2 LYS 96 HG2 LYS 96 22.366 -0.908 20.573 744 HG3 LYS 96 HG3 LYS 96 20.684 -0.413 20.772 745 HD2 LYS 96 HD2 LYS 96 21.310 -2.308 22.232 746 HD3 LYS 96 HD3 LYS 96 20.003 -2.701 21.118 747 HE2 LYS 96 HE2 LYS 96 21.605 -3.810 19.633 748 HE3 LYS 96 HE3 LYS 96 22.910 -3.419 20.752 749 HZ1 LYS 96 HZ1 LYS 96 20.550 -5.085 21.449 750 HZ2 LYS 96 HZ2 LYS 96 21.915 -4.800 22.415 751 HZ3 LYS 96 HZ3 LYS 96 22.060 -5.708 20.987 752 H MET 97 H MET 97 19.907 1.514 19.975 753 HA MET 97 HA MET 97 21.106 3.702 18.548 754 HB2 MET 97 HB2 MET 97 20.146 3.657 21.418 755 HB3 MET 97 HB3 MET 97 20.323 5.063 20.375 756 HG2 MET 97 HG2 MET 97 18.527 4.223 18.946 757 HG3 MET 97 HG3 MET 97 18.352 2.822 19.997 758 HE1 MET 97 HE1 MET 97 17.254 7.160 21.138 759 HE2 MET 97 HE2 MET 97 17.805 6.651 19.543 760 HE3 MET 97 HE3 MET 97 18.928 6.656 20.902 761 H THR 98 H THR 98 23.168 2.170 18.672 762 HA THR 98 HA THR 98 24.528 1.773 21.074 763 HB THR 98 HB THR 98 26.495 1.273 19.634 764 HG1 THR 98 HG1 THR 98 26.374 1.622 17.446 765 HG21 THR 98 HG21 THR 98 24.729 -0.419 20.041 766 HG22 THR 98 HG22 THR 98 25.501 -0.612 18.466 767 HG23 THR 98 HG23 THR 98 23.904 0.129 18.580 768 H SER 99 H SER 99 24.681 4.458 18.792 769 HA SER 99 HA SER 99 26.703 5.703 20.536 770 HB2 SER 99 HB2 SER 99 26.266 6.315 17.611 771 HB3 SER 99 HB3 SER 99 27.613 6.827 18.626 772 HG SER 99 HG SER 99 27.019 4.101 18.137 773 H ILE 100 H ILE 100 25.530 6.956 21.866 774 HA ILE 100 HA ILE 100 23.808 9.000 20.628 775 HB ILE 100 HB ILE 100 23.363 7.598 23.271 776 HG12 ILE 100 HG12 ILE 100 21.660 7.706 20.771 777 HG13 ILE 100 HG13 ILE 100 22.597 6.318 21.316 778 HG21 ILE 100 HG21 ILE 100 21.329 9.023 23.428 779 HG22 ILE 100 HG22 ILE 100 21.929 9.956 22.056 780 HG23 ILE 100 HG23 ILE 100 22.844 9.917 23.565 781 HD11 ILE 100 HD11 ILE 100 20.246 6.067 21.861 782 HD12 ILE 100 HD12 ILE 100 20.289 7.570 22.785 783 HD13 ILE 100 HD13 ILE 100 21.225 6.172 23.324 784 H ARG 101 H ARG 101 24.588 10.980 20.938 785 HA ARG 101 HA ARG 101 25.143 11.880 23.573 786 HB2 ARG 101 HB2 ARG 101 27.360 10.985 23.114 787 HB3 ARG 101 HB3 ARG 101 27.440 11.889 21.610 788 HG2 ARG 101 HG2 ARG 101 27.531 13.961 22.772 789 HG3 ARG 101 HG3 ARG 101 27.178 13.179 24.312 790 HD2 ARG 101 HD2 ARG 101 29.547 13.750 24.121 791 HD3 ARG 101 HD3 ARG 101 29.309 12.006 24.217 792 HE ARG 101 HE ARG 101 29.666 11.954 21.774 793 HH11 ARG 101 HH11 ARG 101 30.798 14.755 23.573 794 HH12 ARG 101 HH12 ARG 101 32.064 15.118 22.431 795 HH21 ARG 101 HH21 ARG 101 31.324 12.443 20.300 796 HH22 ARG 101 HH22 ARG 101 32.368 13.803 20.579 797 H ASP 102 H ASP 102 24.965 14.053 23.748 798 HA ASP 102 HA ASP 102 24.083 15.416 21.304 799 HB2 ASP 102 HB2 ASP 102 23.087 17.098 22.933 800 HB3 ASP 102 HB3 ASP 102 22.347 15.504 22.909 801 H VAL 103 H VAL 103 25.547 16.624 20.364 802 HA VAL 103 HA VAL 103 27.837 17.509 21.951 803 HB VAL 103 HB VAL 103 29.006 17.795 19.800 804 HG11 VAL 103 HG11 VAL 103 27.766 15.073 20.192 805 HG12 VAL 103 HG12 VAL 103 29.197 15.695 21.013 806 HG13 VAL 103 HG13 VAL 103 29.233 15.417 19.273 807 HG21 VAL 103 HG21 VAL 103 28.009 16.880 17.752 808 HG22 VAL 103 HG22 VAL 103 27.117 18.275 18.360 809 HG23 VAL 103 HG23 VAL 103 26.486 16.647 18.608 810 H LYS 104 H LYS 104 28.934 19.490 20.819 811 HA LYS 104 HA LYS 104 27.105 21.650 21.411 812 HB2 LYS 104 HB2 LYS 104 30.080 21.702 20.846 813 HB3 LYS 104 HB3 LYS 104 29.129 23.012 21.538 814 HG2 LYS 104 HG2 LYS 104 28.738 21.794 23.535 815 HG3 LYS 104 HG3 LYS 104 29.383 20.311 22.835 816 HD2 LYS 104 HD2 LYS 104 31.034 21.201 24.308 817 HD3 LYS 104 HD3 LYS 104 31.596 21.454 22.655 818 HE2 LYS 104 HE2 LYS 104 30.994 23.759 22.725 819 HE3 LYS 104 HE3 LYS 104 30.157 23.554 24.265 820 HZ1 LYS 104 HZ1 LYS 104 33.080 23.281 23.800 821 HZ2 LYS 104 HZ2 LYS 104 32.302 22.981 25.277 822 HZ3 LYS 104 HZ3 LYS 104 32.301 24.542 24.623 823 HA PRO 105 HA PRO 105 26.469 22.985 17.263 824 HB2 PRO 105 HB2 PRO 105 26.203 25.653 17.563 825 HB3 PRO 105 HB3 PRO 105 24.987 24.507 18.143 826 HG2 PRO 105 HG2 PRO 105 27.146 25.913 19.669 827 HG3 PRO 105 HG3 PRO 105 25.453 25.642 20.121 828 HD2 PRO 105 HD2 PRO 105 27.503 24.120 21.060 829 HD3 PRO 105 HD3 PRO 105 25.858 23.493 20.833 830 H THR 106 H THR 106 27.167 24.950 15.765 831 HA THR 106 HA THR 106 28.762 26.093 14.630 832 HB THR 106 HB THR 106 30.607 25.643 16.986 833 HG1 THR 106 HG1 THR 106 29.351 27.024 17.970 834 HG21 THR 106 HG21 THR 106 31.765 26.327 14.941 835 HG22 THR 106 HG22 THR 106 31.770 27.631 16.129 836 HG23 THR 106 HG23 THR 106 30.659 27.687 14.760 837 H ASP 107 H ASP 107 30.401 23.464 16.410 838 HA ASP 107 HA ASP 107 32.010 22.842 14.102 839 HB2 ASP 107 HB2 ASP 107 31.801 21.715 16.875 840 HB3 ASP 107 HB3 ASP 107 32.702 20.860 15.626 841 H VAL 108 H VAL 108 30.897 22.002 12.449 842 HA VAL 108 HA VAL 108 29.018 19.836 12.872 843 HB VAL 108 HB VAL 108 28.835 19.767 10.411 844 HG11 VAL 108 HG11 VAL 108 27.839 21.979 10.102 845 HG12 VAL 108 HG12 VAL 108 28.644 22.545 11.566 846 HG13 VAL 108 HG13 VAL 108 27.413 21.285 11.668 847 HG21 VAL 108 HG21 VAL 108 30.884 21.986 10.449 848 HG22 VAL 108 HG22 VAL 108 29.994 21.427 9.032 849 HG23 VAL 108 HG23 VAL 108 31.136 20.351 9.837 850 H GLU 109 H GLU 109 32.343 20.296 12.309 851 HA GLU 109 HA GLU 109 32.810 17.591 11.355 852 HB2 GLU 109 HB2 GLU 109 35.181 18.319 11.259 853 HB3 GLU 109 HB3 GLU 109 34.101 19.335 10.314 854 HG2 GLU 109 HG2 GLU 109 34.064 20.905 12.294 855 HG3 GLU 109 HG3 GLU 109 35.391 19.950 12.954 856 H VAL 110 H VAL 110 31.752 18.168 14.057 857 HA VAL 110 HA VAL 110 33.683 17.652 16.029 858 HB VAL 110 HB VAL 110 31.420 18.447 16.563 859 HG11 VAL 110 HG11 VAL 110 30.511 15.677 15.796 860 HG12 VAL 110 HG12 VAL 110 30.146 17.171 14.934 861 HG13 VAL 110 HG13 VAL 110 29.510 16.914 16.559 862 HG21 VAL 110 HG21 VAL 110 31.007 17.048 18.521 863 HG22 VAL 110 HG22 VAL 110 32.730 17.357 18.309 864 HG23 VAL 110 HG23 VAL 110 32.051 15.795 17.853 865 H LEU 111 H LEU 111 32.019 15.592 13.781 866 HA LEU 111 HA LEU 111 33.687 13.348 14.686 867 HB2 LEU 111 HB2 LEU 111 30.844 13.205 13.667 868 HB3 LEU 111 HB3 LEU 111 31.875 11.816 13.946 869 HG LEU 111 HG LEU 111 30.952 13.738 16.085 870 HD11 LEU 111 HD11 LEU 111 29.099 12.434 15.212 871 HD12 LEU 111 HD12 LEU 111 29.537 11.876 16.828 872 HD13 LEU 111 HD13 LEU 111 30.030 10.948 15.411 873 HD21 LEU 111 HD21 LEU 111 32.478 11.141 16.244 874 HD22 LEU 111 HD22 LEU 111 31.833 12.029 17.626 875 HD23 LEU 111 HD23 LEU 111 33.095 12.749 16.625 876 H ASP 112 H ASP 112 34.681 12.198 13.065 877 HA ASP 112 HA ASP 112 34.726 13.491 10.470 878 HB2 ASP 112 HB2 ASP 112 36.572 11.804 10.010 879 HB3 ASP 112 HB3 ASP 112 36.886 12.965 11.294 880 H GLU 113 H GLU 113 33.516 12.887 8.841 881 HA GLU 113 HA GLU 113 32.227 10.268 8.966 882 HB2 GLU 113 HB2 GLU 113 30.570 11.110 7.425 883 HB3 GLU 113 HB3 GLU 113 30.733 12.219 8.774 884 HG2 GLU 113 HG2 GLU 113 32.011 12.621 6.079 885 HG3 GLU 113 HG3 GLU 113 30.464 13.308 6.561 886 H GLN 114 H GLN 114 32.315 8.808 7.358 887 HA GLN 114 HA GLN 114 33.904 9.304 4.982 888 HB2 GLN 114 HB2 GLN 114 35.445 7.467 5.401 889 HB3 GLN 114 HB3 GLN 114 35.560 8.637 6.704 890 HG2 GLN 114 HG2 GLN 114 34.067 6.024 6.815 891 HG3 GLN 114 HG3 GLN 114 35.653 6.336 7.515 892 HE21 GLN 114 HE21 GLN 114 35.799 7.723 9.335 893 HE22 GLN 114 HE22 GLN 114 34.416 8.059 10.321 894 H LYS 115 H LYS 115 33.942 7.126 3.644 895 HA LYS 115 HA LYS 115 31.203 6.171 3.678 896 HB2 LYS 115 HB2 LYS 115 31.816 5.126 1.492 897 HB3 LYS 115 HB3 LYS 115 31.961 6.874 1.559 898 HG2 LYS 115 HG2 LYS 115 34.355 6.719 1.739 899 HG3 LYS 115 HG3 LYS 115 34.263 4.956 1.808 900 HD2 LYS 115 HD2 LYS 115 33.613 4.779 -0.419 901 HD3 LYS 115 HD3 LYS 115 33.079 6.458 -0.495 902 HE2 LYS 115 HE2 LYS 115 35.388 7.209 -0.379 903 HE3 LYS 115 HE3 LYS 115 35.939 5.539 -0.253 904 HZ1 LYS 115 HZ1 LYS 115 35.989 6.681 -2.530 905 HZ2 LYS 115 HZ2 LYS 115 34.315 6.408 -2.559 906 HZ3 LYS 115 HZ3 LYS 115 35.387 5.100 -2.433 907 H GLY 116 H GLY 116 34.043 5.200 5.044 908 HA2 GLY 116 HA2 GLY 116 33.538 2.342 4.878 909 HA3 GLY 116 HA3 GLY 116 34.806 3.129 5.811 910 H LYS 117 H LYS 117 31.364 2.397 5.730 911 HA LYS 117 HA LYS 117 31.290 2.661 8.666 912 HB2 LYS 117 HB2 LYS 117 29.049 3.418 6.793 913 HB3 LYS 117 HB3 LYS 117 29.047 3.558 8.543 914 HG2 LYS 117 HG2 LYS 117 31.225 5.041 7.893 915 HG3 LYS 117 HG3 LYS 117 30.164 5.336 6.511 916 HD2 LYS 117 HD2 LYS 117 28.338 5.698 8.300 917 HD3 LYS 117 HD3 LYS 117 29.694 5.886 9.410 918 HE2 LYS 117 HE2 LYS 117 29.073 8.064 8.670 919 HE3 LYS 117 HE3 LYS 117 30.591 7.649 7.874 920 HZ1 LYS 117 HZ1 LYS 117 29.337 7.046 5.887 921 HZ2 LYS 117 HZ2 LYS 117 29.037 8.658 6.320 922 HZ3 LYS 117 HZ3 LYS 117 27.886 7.461 6.657 923 H ASP 118 H ASP 118 29.148 1.612 9.480 924 HA ASP 118 HA ASP 118 28.593 -0.866 8.007 925 HB2 ASP 118 HB2 ASP 118 28.387 -0.098 10.904 926 HB3 ASP 118 HB3 ASP 118 27.322 -1.346 10.272 927 H LYS 119 H LYS 119 26.111 -1.466 8.748 928 HA LYS 119 HA LYS 119 24.443 0.501 7.529 929 HB2 LYS 119 HB2 LYS 119 23.658 -1.872 9.233 930 HB3 LYS 119 HB3 LYS 119 22.586 -0.954 8.188 931 HG2 LYS 119 HG2 LYS 119 23.315 -1.972 6.315 932 HG3 LYS 119 HG3 LYS 119 24.968 -2.146 6.917 933 HD2 LYS 119 HD2 LYS 119 24.262 -3.931 8.395 934 HD3 LYS 119 HD3 LYS 119 22.592 -3.727 7.880 935 HE2 LYS 119 HE2 LYS 119 23.184 -4.404 5.625 936 HE3 LYS 119 HE3 LYS 119 24.876 -4.553 6.103 937 HZ1 LYS 119 HZ1 LYS 119 22.649 -6.123 7.280 938 HZ2 LYS 119 HZ2 LYS 119 24.303 -6.315 7.605 939 HZ3 LYS 119 HZ3 LYS 119 23.691 -6.691 6.071 940 H GLN 120 H GLN 120 24.335 2.413 8.596 941 HA GLN 120 HA GLN 120 23.317 2.339 11.346 942 HB2 GLN 120 HB2 GLN 120 24.791 4.262 11.908 943 HB3 GLN 120 HB3 GLN 120 25.669 2.772 11.589 944 HG2 GLN 120 HG2 GLN 120 26.303 3.542 9.413 945 HG3 GLN 120 HG3 GLN 120 25.282 4.971 9.571 946 HE21 GLN 120 HE21 GLN 120 25.967 6.685 10.832 947 HE22 GLN 120 HE22 GLN 120 27.592 6.816 11.422 948 H LEU 121 H LEU 121 21.730 3.744 11.763 949 HA LEU 121 HA LEU 121 21.027 5.688 9.691 950 HB2 LEU 121 HB2 LEU 121 19.466 5.284 12.225 951 HB3 LEU 121 HB3 LEU 121 18.914 5.877 10.668 952 HG LEU 121 HG LEU 121 19.628 3.008 11.291 953 HD11 LEU 121 HD11 LEU 121 17.575 3.730 12.389 954 HD12 LEU 121 HD12 LEU 121 17.225 2.611 11.071 955 HD13 LEU 121 HD13 LEU 121 16.959 4.341 10.853 956 HD21 LEU 121 HD21 LEU 121 18.447 4.239 8.804 957 HD22 LEU 121 HD22 LEU 121 18.707 2.518 9.090 958 HD23 LEU 121 HD23 LEU 121 20.086 3.609 8.963 959 H THR 122 H THR 122 21.892 7.613 9.860 960 HA THR 122 HA THR 122 22.930 8.519 12.441 961 HB THR 122 HB THR 122 23.368 9.753 9.714 962 HG1 THR 122 HG1 THR 122 24.550 8.044 9.349 963 HG21 THR 122 HG21 THR 122 25.371 10.712 10.773 964 HG22 THR 122 HG22 THR 122 24.905 9.976 12.307 965 HG23 THR 122 HG23 THR 122 23.893 11.226 11.584 966 H LEU 123 H LEU 123 21.138 9.341 13.490 967 HA LEU 123 HA LEU 123 19.424 11.205 12.052 968 HB2 LEU 123 HB2 LEU 123 19.172 9.907 14.755 969 HB3 LEU 123 HB3 LEU 123 18.071 11.147 14.185 970 HG LEU 123 HG LEU 123 17.715 9.570 12.161 971 HD11 LEU 123 HD11 LEU 123 19.506 8.016 12.628 972 HD12 LEU 123 HD12 LEU 123 17.946 7.195 12.702 973 HD13 LEU 123 HD13 LEU 123 18.788 7.625 14.191 974 HD21 LEU 123 HD21 LEU 123 16.018 10.124 13.825 975 HD22 LEU 123 HD22 LEU 123 16.646 8.863 14.887 976 HD23 LEU 123 HD23 LEU 123 15.917 8.433 13.340 977 H ILE 124 H ILE 124 19.569 13.274 12.192 978 HA ILE 124 HA ILE 124 21.295 14.490 14.235 979 HB ILE 124 HB ILE 124 20.197 15.824 11.758 980 HG12 ILE 124 HG12 ILE 124 22.918 14.528 12.029 981 HG13 ILE 124 HG13 ILE 124 21.554 13.768 11.215 982 HG21 ILE 124 HG21 ILE 124 22.531 16.460 13.558 983 HG22 ILE 124 HG22 ILE 124 21.002 17.333 13.473 984 HG23 ILE 124 HG23 ILE 124 22.104 17.347 12.095 985 HD11 ILE 124 HD11 ILE 124 21.487 15.597 9.611 986 HD12 ILE 124 HD12 ILE 124 23.066 14.810 9.627 987 HD13 ILE 124 HD13 ILE 124 22.845 16.367 10.429 988 H THR 125 H THR 125 19.809 14.578 15.950 989 HA THR 125 HA THR 125 17.374 16.127 15.464 990 HB THR 125 HB THR 125 16.815 15.408 17.867 991 HG1 THR 125 HG1 THR 125 19.213 14.510 17.888 992 HG21 THR 125 HG21 THR 125 15.704 14.479 15.902 993 HG22 THR 125 HG22 THR 125 15.978 13.229 17.114 994 HG23 THR 125 HG23 THR 125 17.018 13.319 15.694 995 H CYS 126 H CYS 126 17.995 18.209 15.458 996 HA CYS 126 HA CYS 126 19.884 19.361 17.216 997 HB2 CYS 126 HB2 CYS 126 17.676 21.044 16.139 998 HB3 CYS 126 HB3 CYS 126 19.415 21.325 16.118 999 H ASP 127 H ASP 127 19.689 19.908 19.310 1000 HA ASP 127 HA ASP 127 17.129 19.399 20.611 1001 HB2 ASP 127 HB2 ASP 127 19.319 18.425 21.438 1002 HB3 ASP 127 HB3 ASP 127 19.770 20.052 21.934 1003 H ASP 128 H ASP 128 17.742 21.795 18.991 1004 HA ASP 128 HA ASP 128 16.245 23.626 20.536 1005 HB2 ASP 128 HB2 ASP 128 18.483 24.036 21.544 1006 HB3 ASP 128 HB3 ASP 128 19.112 24.422 19.946 1007 H TYR 129 H TYR 129 15.770 25.602 19.189 1008 HA TYR 129 HA TYR 129 16.557 25.703 16.478 1009 HB2 TYR 129 HB2 TYR 129 15.304 23.653 16.208 1010 HB3 TYR 129 HB3 TYR 129 13.911 24.345 17.031 1011 HD1 TYR 129 HD1 TYR 129 16.098 25.246 14.117 1012 HD2 TYR 129 HD2 TYR 129 12.151 24.891 15.668 1013 HE1 TYR 129 HE1 TYR 129 15.189 25.965 11.950 1014 HE2 TYR 129 HE2 TYR 129 11.232 25.615 13.506 1015 HH TYR 129 HH TYR 129 11.953 26.884 11.525 1016 H ASN 130 H ASN 130 16.645 27.906 16.677 1017 HA ASN 130 HA ASN 130 13.995 29.187 16.856 1018 HB2 ASN 130 HB2 ASN 130 15.595 30.107 18.494 1019 HB3 ASN 130 HB3 ASN 130 16.703 30.506 17.182 1020 HD21 ASN 130 HD21 ASN 130 16.636 32.712 17.647 1021 HD22 ASN 130 HD22 ASN 130 15.240 33.688 17.331 1022 H GLU 131 H GLU 131 13.174 29.358 14.919 1023 HA GLU 131 HA GLU 131 14.642 29.272 12.514 1024 HB2 GLU 131 HB2 GLU 131 12.452 29.880 11.473 1025 HB3 GLU 131 HB3 GLU 131 12.374 28.503 12.567 1026 HG2 GLU 131 HG2 GLU 131 11.485 29.933 14.324 1027 HG3 GLU 131 HG3 GLU 131 11.587 31.327 13.253 1028 H LYS 132 H LYS 132 13.784 31.879 14.598 1029 HA LYS 132 HA LYS 132 13.620 33.947 12.673 1030 HB2 LYS 132 HB2 LYS 132 12.936 33.808 15.243 1031 HB3 LYS 132 HB3 LYS 132 14.519 34.534 15.456 1032 HG2 LYS 132 HG2 LYS 132 12.302 35.664 13.759 1033 HG3 LYS 132 HG3 LYS 132 12.722 36.194 15.386 1034 HD2 LYS 132 HD2 LYS 132 14.902 36.920 14.626 1035 HD3 LYS 132 HD3 LYS 132 14.575 36.291 13.008 1036 HE2 LYS 132 HE2 LYS 132 12.778 37.882 12.719 1037 HE3 LYS 132 HE3 LYS 132 12.983 38.460 14.371 1038 HZ1 LYS 132 HZ1 LYS 132 14.024 39.936 12.766 1039 HZ2 LYS 132 HZ2 LYS 132 15.011 38.672 12.209 1040 HZ3 LYS 132 HZ3 LYS 132 15.185 39.248 13.795 1041 H THR 133 H THR 133 16.221 33.154 14.996 1042 HA THR 133 HA THR 133 18.033 34.839 13.469 1043 HB THR 133 HB THR 133 19.615 34.423 15.345 1044 HG1 THR 133 HG1 THR 133 19.082 33.111 16.985 1045 HG21 THR 133 HG21 THR 133 18.316 35.675 17.049 1046 HG22 THR 133 HG22 THR 133 16.850 35.387 16.106 1047 HG23 THR 133 HG23 THR 133 18.159 36.363 15.432 1048 H GLY 134 H GLY 134 17.190 31.560 13.751 1049 HA2 GLY 134 HA2 GLY 134 17.942 29.741 12.542 1050 HA3 GLY 134 HA3 GLY 134 19.153 30.781 11.803 1051 H VAL 135 H VAL 135 18.506 29.821 15.172 1052 HA VAL 135 HA VAL 135 21.272 28.854 15.312 1053 HB VAL 135 HB VAL 135 20.963 31.130 16.344 1054 HG11 VAL 135 HG11 VAL 135 19.413 29.579 18.406 1055 HG12 VAL 135 HG12 VAL 135 18.743 30.769 17.291 1056 HG13 VAL 135 HG13 VAL 135 19.897 31.271 18.526 1057 HG21 VAL 135 HG21 VAL 135 22.843 29.710 16.932 1058 HG22 VAL 135 HG22 VAL 135 21.870 28.910 18.166 1059 HG23 VAL 135 HG23 VAL 135 22.282 30.617 18.335 1060 H TRP 136 H TRP 136 21.696 27.230 16.779 1061 HA TRP 136 HA TRP 136 19.573 26.215 18.454 1062 HB2 TRP 136 HB2 TRP 136 20.000 23.852 17.722 1063 HB3 TRP 136 HB3 TRP 136 19.170 24.847 16.535 1064 HD1 TRP 136 HD1 TRP 136 22.340 22.854 17.078 1065 HE1 TRP 136 HE1 TRP 136 23.651 22.734 14.866 1066 HE3 TRP 136 HE3 TRP 136 19.643 26.235 14.351 1067 HZ2 TRP 136 HZ2 TRP 136 23.556 23.923 12.304 1068 HZ3 TRP 136 HZ3 TRP 136 20.314 26.683 12.028 1069 HH2 TRP 136 HH2 TRP 136 22.231 25.551 11.026 1070 H GLU 137 H GLU 137 20.358 25.818 20.381 1071 HA GLU 137 HA GLU 137 23.110 26.269 20.915 1072 HB2 GLU 137 HB2 GLU 137 20.784 25.456 22.637 1073 HB3 GLU 137 HB3 GLU 137 22.401 25.701 23.286 1074 HG2 GLU 137 HG2 GLU 137 21.020 27.815 21.682 1075 HG3 GLU 137 HG3 GLU 137 20.742 27.638 23.412 1076 H LYS 138 H LYS 138 21.574 23.431 19.966 1077 HA LYS 138 HA LYS 138 23.874 21.864 20.637 1078 HB2 LYS 138 HB2 LYS 138 22.734 21.797 22.786 1079 HB3 LYS 138 HB3 LYS 138 21.250 21.269 22.005 1080 HG2 LYS 138 HG2 LYS 138 22.376 19.204 21.300 1081 HG3 LYS 138 HG3 LYS 138 23.830 19.729 22.151 1082 HD2 LYS 138 HD2 LYS 138 21.136 19.269 23.424 1083 HD3 LYS 138 HD3 LYS 138 22.486 18.137 23.463 1084 HE2 LYS 138 HE2 LYS 138 23.832 19.981 24.542 1085 HE3 LYS 138 HE3 LYS 138 22.318 20.865 24.713 1086 HZ1 LYS 138 HZ1 LYS 138 21.443 18.953 25.976 1087 HZ2 LYS 138 HZ2 LYS 138 22.781 19.677 26.726 1088 HZ3 LYS 138 HZ3 LYS 138 22.970 18.218 25.886 1089 H ARG 139 H ARG 139 24.092 20.124 19.356 1090 HA ARG 139 HA ARG 139 21.735 19.236 17.836 1091 HB2 ARG 139 HB2 ARG 139 23.397 18.398 16.120 1092 HB3 ARG 139 HB3 ARG 139 23.223 20.144 16.225 1093 HG2 ARG 139 HG2 ARG 139 25.287 20.339 17.422 1094 HG3 ARG 139 HG3 ARG 139 25.429 18.586 17.553 1095 HD2 ARG 139 HD2 ARG 139 26.870 19.540 15.788 1096 HD3 ARG 139 HD3 ARG 139 25.696 18.381 15.169 1097 HE ARG 139 HE ARG 139 24.447 20.188 14.236 1098 HH11 ARG 139 HH11 ARG 139 27.575 21.111 15.540 1099 HH12 ARG 139 HH12 ARG 139 27.626 22.604 14.662 1100 HH21 ARG 139 HH21 ARG 139 24.509 22.106 13.099 1101 HH22 ARG 139 HH22 ARG 139 25.865 23.201 13.287 1102 H LYS 140 H LYS 140 21.024 17.436 18.737 1103 HA LYS 140 HA LYS 140 22.847 15.673 20.155 1104 HB2 LYS 140 HB2 LYS 140 20.616 16.356 21.093 1105 HB3 LYS 140 HB3 LYS 140 19.849 15.450 19.802 1106 HG2 LYS 140 HG2 LYS 140 21.791 14.001 21.507 1107 HG3 LYS 140 HG3 LYS 140 20.242 14.445 22.223 1108 HD2 LYS 140 HD2 LYS 140 19.138 13.359 20.235 1109 HD3 LYS 140 HD3 LYS 140 20.729 12.737 19.789 1110 HE2 LYS 140 HE2 LYS 140 19.355 11.123 21.085 1111 HE3 LYS 140 HE3 LYS 140 20.894 11.518 21.849 1112 HZ1 LYS 140 HZ1 LYS 140 19.843 12.847 23.443 1113 HZ2 LYS 140 HZ2 LYS 140 18.840 11.480 23.322 1114 HZ3 LYS 140 HZ3 LYS 140 18.392 12.932 22.565 1115 H ILE 141 H ILE 141 23.996 14.425 18.789 1116 HA ILE 141 HA ILE 141 22.787 13.363 16.415 1117 HB ILE 141 HB ILE 141 24.956 14.215 16.121 1118 HG12 ILE 141 HG12 ILE 141 26.305 12.175 15.590 1119 HG13 ILE 141 HG13 ILE 141 24.999 11.225 16.277 1120 HG21 ILE 141 HG21 ILE 141 25.824 12.550 18.473 1121 HG22 ILE 141 HG22 ILE 141 25.750 14.310 18.382 1122 HG23 ILE 141 HG23 ILE 141 26.919 13.426 17.404 1123 HD11 ILE 141 HD11 ILE 141 24.807 11.330 13.863 1124 HD12 ILE 141 HD12 ILE 141 24.785 13.092 13.929 1125 HD13 ILE 141 HD13 ILE 141 23.458 12.169 14.633 1126 H PHE 142 H PHE 142 22.021 11.412 16.212 1127 HA PHE 142 HA PHE 142 22.688 9.388 18.229 1128 HB2 PHE 142 HB2 PHE 142 20.566 9.757 18.974 1129 HB3 PHE 142 HB3 PHE 142 20.045 10.467 17.453 1130 HD1 PHE 142 HD1 PHE 142 21.263 7.071 18.462 1131 HD2 PHE 142 HD2 PHE 142 18.226 9.419 16.634 1132 HE1 PHE 142 HE1 PHE 142 20.011 5.026 17.921 1133 HE2 PHE 142 HE2 PHE 142 16.967 7.378 16.090 1134 HZ PHE 142 HZ PHE 142 17.865 5.178 16.729 1135 H VAL 143 H VAL 143 23.664 7.749 17.308 1136 HA VAL 143 HA VAL 143 23.003 7.097 14.510 1137 HB VAL 143 HB VAL 143 25.587 6.579 15.986 1138 HG11 VAL 143 HG11 VAL 143 25.102 4.821 14.374 1139 HG12 VAL 143 HG12 VAL 143 26.442 5.822 13.820 1140 HG13 VAL 143 HG13 VAL 143 24.839 6.031 13.118 1141 HG21 VAL 143 HG21 VAL 143 26.551 8.199 14.400 1142 HG22 VAL 143 HG22 VAL 143 25.334 8.927 15.448 1143 HG23 VAL 143 HG23 VAL 143 24.932 8.525 13.779 1144 H ALA 144 H ALA 144 21.865 5.328 14.291 1145 HA ALA 144 HA ALA 144 22.032 3.229 16.350 1146 HB1 ALA 144 HB1 ALA 144 19.889 3.728 14.281 1147 HB2 ALA 144 HB2 ALA 144 19.801 4.179 15.983 1148 HB3 ALA 144 HB3 ALA 144 19.857 2.477 15.524 1149 H THR 145 H THR 145 23.185 1.508 15.858 1150 HA THR 145 HA THR 145 23.849 0.948 13.069 1151 HB THR 145 HB THR 145 24.885 -0.480 15.525 1152 HG1 THR 145 HG1 THR 145 25.327 2.058 14.694 1153 HG21 THR 145 HG21 THR 145 25.995 -0.171 12.730 1154 HG22 THR 145 HG22 THR 145 25.260 -1.630 13.396 1155 HG23 THR 145 HG23 THR 145 26.778 -1.024 14.060 1156 H GLU 146 H GLU 146 23.326 -0.963 12.021 1157 HA GLU 146 HA GLU 146 20.813 -2.034 12.719 1158 HB2 GLU 146 HB2 GLU 146 21.759 -1.816 10.387 1159 HB3 GLU 146 HB3 GLU 146 22.744 -3.231 10.734 1160 HG2 GLU 146 HG2 GLU 146 20.787 -4.590 11.033 1161 HG3 GLU 146 HG3 GLU 146 19.737 -3.183 10.877 1162 H VAL 147 H VAL 147 20.204 -3.786 13.726 1163 HA VAL 147 HA VAL 147 22.279 -5.542 14.846 1164 HB VAL 147 HB VAL 147 19.414 -5.639 15.715 1165 HG11 VAL 147 HG11 VAL 147 22.033 -6.087 17.136 1166 HG12 VAL 147 HG12 VAL 147 20.893 -7.326 16.605 1167 HG13 VAL 147 HG13 VAL 147 20.444 -6.203 17.889 1168 HG21 VAL 147 HG21 VAL 147 19.975 -3.268 15.765 1169 HG22 VAL 147 HG22 VAL 147 21.424 -3.627 16.703 1170 HG23 VAL 147 HG23 VAL 147 19.830 -3.920 17.398 1171 H LYS 148 H LYS 148 21.597 -7.846 15.032 1172 HA LYS 148 HA LYS 148 20.420 -8.694 12.498 1173 HB2 LYS 148 HB2 LYS 148 21.511 -10.887 13.042 1174 HB3 LYS 148 HB3 LYS 148 22.625 -9.546 12.816 1175 HG2 LYS 148 HG2 LYS 148 22.726 -9.293 15.283 1176 HG3 LYS 148 HG3 LYS 148 21.742 -10.750 15.427 1177 HD2 LYS 148 HD2 LYS 148 23.504 -11.938 14.080 1178 HD3 LYS 148 HD3 LYS 148 24.497 -10.489 14.252 1179 HE2 LYS 148 HE2 LYS 148 25.043 -12.196 15.936 1180 HE3 LYS 148 HE3 LYS 148 24.456 -10.699 16.660 1181 HZ1 LYS 148 HZ1 LYS 148 22.343 -11.684 17.063 1182 HZ2 LYS 148 HZ2 LYS 148 23.514 -12.772 17.634 1183 HZ3 LYS 148 HZ3 LYS 148 22.730 -13.066 16.159 1184 H6 2W7 201 H6 2W7 201 18.491 21.781 12.463 1185 H7 2W7 201 H7 2W7 201 18.395 23.113 10.384 1186 H8 2W7 201 H8 2W7 201 20.422 23.380 8.983 1187 H9 2W7 201 H9 2W7 201 22.551 22.309 9.665 1188 H3 2W7 201 H3 2W7 201 22.949 19.471 10.322 1189 H122 2W7 201 H122 2W7 201 25.224 20.232 9.758 1190 H121 2W7 201 H121 2W7 201 25.451 20.587 11.480 1191 H4 2W7 201 H4 2W7 201 26.950 18.761 9.705 1192 HZ12 2W7 201 HZ12 2W7 201 25.514 15.992 8.938 1193 HZ11 2W7 201 HZ11 2W7 201 25.022 15.865 10.637 1194 HY1 2W7 201 HY1 2W7 201 25.586 13.652 9.708 1195 HX22 2W7 201 HX22 2W7 201 27.903 13.166 9.051 1196 HX21 2W7 201 HX21 2W7 201 27.189 14.424 8.012 1197 HY3 2W7 201 HY3 2W7 201 29.482 15.063 8.729 1198 HZ21 2W7 201 HZ21 2W7 201 27.805 16.821 8.378 1199 HZ22 2W7 201 HZ22 2W7 201 28.931 17.264 9.674 1200 HX31 2W7 201 HX31 2W7 201 29.498 13.806 10.851 1201 HX32 2W7 201 HX32 2W7 201 29.925 15.508 11.114 1202 HY2 2W7 201 HY2 2W7 201 28.301 14.740 12.808 1203 HZ32 2W7 201 HZ32 2W7 201 28.212 17.090 12.060 1204 HZ31 2W7 201 HZ31 2W7 201 26.594 16.484 12.455 1205 HX12 2W7 201 HX12 2W7 201 27.245 12.993 11.432 1206 HX11 2W7 201 HX11 2W7 201 26.028 14.101 12.097 Start of MODEL 2 1 HA MET 1 HA MET 1 3.516 1.366 -1.677 2 HB2 MET 1 HB2 MET 1 5.065 0.542 0.751 3 HB3 MET 1 HB3 MET 1 5.625 0.051 -0.842 4 HG2 MET 1 HG2 MET 1 6.708 2.098 -0.059 5 HG3 MET 1 HG3 MET 1 5.789 2.350 -1.541 6 HE1 MET 1 HE1 MET 1 5.368 5.800 0.193 7 HE2 MET 1 HE2 MET 1 5.851 4.936 -1.268 8 HE3 MET 1 HE3 MET 1 6.805 4.777 0.207 9 H GLN 2 H GLN 2 2.948 -0.114 -3.075 10 HA GLN 2 HA GLN 2 2.207 -2.781 -2.107 11 HB2 GLN 2 HB2 GLN 2 1.742 -1.522 -4.817 12 HB3 GLN 2 HB3 GLN 2 1.094 -3.062 -4.267 13 HG2 GLN 2 HG2 GLN 2 0.429 -0.339 -3.169 14 HG3 GLN 2 HG3 GLN 2 -0.611 -1.364 -4.157 15 HE21 GLN 2 HE21 GLN 2 -1.568 -3.179 -3.235 16 HE22 GLN 2 HE22 GLN 2 -1.666 -3.388 -1.517 17 H ALA 3 H ALA 3 4.725 -1.151 -3.465 18 HA ALA 3 HA ALA 3 5.881 -3.598 -4.625 19 HB1 ALA 3 HB1 ALA 3 5.574 -1.753 -6.231 20 HB2 ALA 3 HB2 ALA 3 7.274 -2.179 -6.005 21 HB3 ALA 3 HB3 ALA 3 6.613 -0.738 -5.231 22 H LYS 4 H LYS 4 8.435 -3.288 -4.578 23 HA LYS 4 HA LYS 4 9.263 -3.622 -1.945 24 HB2 LYS 4 HB2 LYS 4 11.533 -3.568 -2.770 25 HB3 LYS 4 HB3 LYS 4 10.524 -4.412 -3.936 26 HG2 LYS 4 HG2 LYS 4 10.566 -2.604 -5.437 27 HG3 LYS 4 HG3 LYS 4 11.203 -1.503 -4.214 28 HD2 LYS 4 HD2 LYS 4 13.264 -2.940 -4.145 29 HD3 LYS 4 HD3 LYS 4 12.624 -3.800 -5.547 30 HE2 LYS 4 HE2 LYS 4 12.648 -1.783 -6.860 31 HE3 LYS 4 HE3 LYS 4 13.107 -0.826 -5.451 32 HZ1 LYS 4 HZ1 LYS 4 15.197 -2.069 -5.361 33 HZ2 LYS 4 HZ2 LYS 4 15.017 -1.248 -6.832 34 HZ3 LYS 4 HZ3 LYS 4 14.757 -2.924 -6.759 35 HA PRO 5 HA PRO 5 9.606 0.450 -0.271 36 HB2 PRO 5 HB2 PRO 5 11.669 0.019 1.484 37 HB3 PRO 5 HB3 PRO 5 9.992 -0.446 1.791 38 HG2 PRO 5 HG2 PRO 5 12.280 -2.114 0.839 39 HG3 PRO 5 HG3 PRO 5 11.002 -2.520 1.999 40 HD2 PRO 5 HD2 PRO 5 10.958 -3.393 -0.553 41 HD3 PRO 5 HD3 PRO 5 9.473 -3.003 0.336 42 H GLN 6 H GLN 6 10.675 2.264 -0.753 43 HA GLN 6 HA GLN 6 13.454 2.236 -1.578 44 HB2 GLN 6 HB2 GLN 6 11.866 1.680 -3.581 45 HB3 GLN 6 HB3 GLN 6 11.432 3.379 -3.494 46 HG2 GLN 6 HG2 GLN 6 13.090 3.236 -5.139 47 HG3 GLN 6 HG3 GLN 6 13.904 3.878 -3.712 48 HE21 GLN 6 HE21 GLN 6 15.433 2.640 -2.670 49 HE22 GLN 6 HE22 GLN 6 16.065 1.175 -3.337 50 H ILE 7 H ILE 7 14.278 4.465 -1.766 51 HA ILE 7 HA ILE 7 12.702 6.363 -0.202 52 HB ILE 7 HB ILE 7 15.528 6.641 -1.261 53 HG12 ILE 7 HG12 ILE 7 15.424 4.830 0.378 54 HG13 ILE 7 HG13 ILE 7 16.227 6.226 1.087 55 HG21 ILE 7 HG21 ILE 7 15.711 8.498 0.334 56 HG22 ILE 7 HG22 ILE 7 14.010 8.299 0.751 57 HG23 ILE 7 HG23 ILE 7 14.466 8.789 -0.880 58 HD11 ILE 7 HD11 ILE 7 14.721 5.181 2.660 59 HD12 ILE 7 HD12 ILE 7 13.372 5.417 1.549 60 HD13 ILE 7 HD13 ILE 7 14.181 6.812 2.264 61 HA PRO 8 HA PRO 8 11.543 7.786 -4.316 62 HB2 PRO 8 HB2 PRO 8 9.170 8.824 -3.669 63 HB3 PRO 8 HB3 PRO 8 9.424 7.076 -3.697 64 HG2 PRO 8 HG2 PRO 8 9.318 8.940 -1.369 65 HG3 PRO 8 HG3 PRO 8 8.662 7.300 -1.525 66 HD2 PRO 8 HD2 PRO 8 11.060 7.952 -0.286 67 HD3 PRO 8 HD3 PRO 8 10.630 6.342 -0.894 68 H LYS 9 H LYS 9 10.802 9.887 -5.235 69 HA LYS 9 HA LYS 9 12.204 12.089 -3.986 70 HB2 LYS 9 HB2 LYS 9 12.626 11.642 -6.334 71 HB3 LYS 9 HB3 LYS 9 10.908 11.747 -6.683 72 HG2 LYS 9 HG2 LYS 9 10.944 14.092 -5.976 73 HG3 LYS 9 HG3 LYS 9 12.689 13.971 -5.761 74 HD2 LYS 9 HD2 LYS 9 11.196 13.526 -8.347 75 HD3 LYS 9 HD3 LYS 9 12.105 14.978 -7.924 76 HE2 LYS 9 HE2 LYS 9 14.157 13.656 -7.791 77 HE3 LYS 9 HE3 LYS 9 13.250 12.199 -8.197 78 HZ1 LYS 9 HZ1 LYS 9 14.327 13.060 -10.150 79 HZ2 LYS 9 HZ2 LYS 9 13.617 14.583 -9.925 80 HZ3 LYS 9 HZ3 LYS 9 12.650 13.248 -10.316 81 H ASP 10 H ASP 10 9.021 10.906 -4.592 82 HA ASP 10 HA ASP 10 7.658 13.384 -4.120 83 HB2 ASP 10 HB2 ASP 10 6.665 10.524 -4.071 84 HB3 ASP 10 HB3 ASP 10 5.626 11.932 -3.877 85 H LYS 11 H LYS 11 8.043 14.322 -2.224 86 HA LYS 11 HA LYS 11 8.365 12.781 0.179 87 HB2 LYS 11 HB2 LYS 11 8.576 15.047 1.260 88 HB3 LYS 11 HB3 LYS 11 9.761 14.677 0.019 89 HG2 LYS 11 HG2 LYS 11 8.269 15.970 -1.580 90 HG3 LYS 11 HG3 LYS 11 7.418 16.540 -0.139 91 HD2 LYS 11 HD2 LYS 11 9.591 17.344 0.754 92 HD3 LYS 11 HD3 LYS 11 10.345 16.894 -0.775 93 HE2 LYS 11 HE2 LYS 11 9.855 19.258 -0.766 94 HE3 LYS 11 HE3 LYS 11 8.838 18.439 -1.949 95 HZ1 LYS 11 HZ1 LYS 11 7.714 20.135 -0.489 96 HZ2 LYS 11 HZ2 LYS 11 7.900 19.039 0.795 97 HZ3 LYS 11 HZ3 LYS 11 6.971 18.611 -0.557 98 H SER 12 H SER 12 5.717 13.408 -1.478 99 HA SER 12 HA SER 12 3.978 13.934 0.786 100 HB2 SER 12 HB2 SER 12 2.178 13.486 -0.996 101 HB3 SER 12 HB3 SER 12 3.198 14.905 -1.235 102 HG SER 12 HG SER 12 3.108 13.802 -3.174 103 H LYS 13 H LYS 13 5.617 11.369 -0.562 104 HA LYS 13 HA LYS 13 3.723 9.310 0.245 105 HB2 LYS 13 HB2 LYS 13 6.406 9.287 -1.121 106 HB3 LYS 13 HB3 LYS 13 5.688 7.811 -0.499 107 HG2 LYS 13 HG2 LYS 13 4.188 9.575 -2.395 108 HG3 LYS 13 HG3 LYS 13 5.360 8.389 -2.971 109 HD2 LYS 13 HD2 LYS 13 4.110 6.640 -1.705 110 HD3 LYS 13 HD3 LYS 13 2.891 7.857 -1.324 111 HE2 LYS 13 HE2 LYS 13 3.696 7.136 -4.135 112 HE3 LYS 13 HE3 LYS 13 2.363 6.361 -3.280 113 HZ1 LYS 13 HZ1 LYS 13 1.208 8.407 -3.153 114 HZ2 LYS 13 HZ2 LYS 13 1.719 8.237 -4.764 115 HZ3 LYS 13 HZ3 LYS 13 2.539 9.291 -3.717 116 H VAL 14 H VAL 14 4.344 7.650 1.763 117 HA VAL 14 HA VAL 14 6.116 8.649 3.868 118 HB VAL 14 HB VAL 14 4.206 6.303 3.967 119 HG11 VAL 14 HG11 VAL 14 5.675 7.761 6.162 120 HG12 VAL 14 HG12 VAL 14 6.040 6.141 5.570 121 HG13 VAL 14 HG13 VAL 14 4.512 6.456 6.392 122 HG21 VAL 14 HG21 VAL 14 2.981 8.387 3.642 123 HG22 VAL 14 HG22 VAL 14 3.849 9.121 4.992 124 HG23 VAL 14 HG23 VAL 14 2.743 7.777 5.280 125 H ALA 15 H ALA 15 8.175 8.054 3.485 126 HA ALA 15 HA ALA 15 8.890 5.773 1.955 127 HB1 ALA 15 HB1 ALA 15 10.628 7.401 3.806 128 HB2 ALA 15 HB2 ALA 15 10.312 7.771 2.111 129 HB3 ALA 15 HB3 ALA 15 11.184 6.301 2.545 130 H GLY 16 H GLY 16 8.650 6.407 5.399 131 HA2 GLY 16 HA2 GLY 16 8.527 3.609 5.973 132 HA3 GLY 16 HA3 GLY 16 10.044 4.332 6.487 133 H TYR 17 H TYR 17 8.624 3.246 8.402 134 HA TYR 17 HA TYR 17 7.438 5.547 9.809 135 HB2 TYR 17 HB2 TYR 17 6.452 2.854 9.399 136 HB3 TYR 17 HB3 TYR 17 6.624 3.201 11.116 137 HD1 TYR 17 HD1 TYR 17 4.932 4.187 8.006 138 HD2 TYR 17 HD2 TYR 17 5.199 4.791 12.205 139 HE1 TYR 17 HE1 TYR 17 2.811 5.422 7.957 140 HE2 TYR 17 HE2 TYR 17 3.080 6.034 12.170 141 HH TYR 17 HH TYR 17 1.692 7.293 10.560 142 H ILE 18 H ILE 18 8.432 6.142 11.628 143 HA ILE 18 HA ILE 18 10.566 4.411 12.629 144 HB ILE 18 HB ILE 18 11.268 6.677 12.160 145 HG12 ILE 18 HG12 ILE 18 12.155 7.315 14.408 146 HG13 ILE 18 HG13 ILE 18 11.107 6.092 15.124 147 HG21 ILE 18 HG21 ILE 18 9.131 7.523 14.095 148 HG22 ILE 18 HG22 ILE 18 9.200 7.869 12.367 149 HG23 ILE 18 HG23 ILE 18 10.386 8.585 13.459 150 HD11 ILE 18 HD11 ILE 18 13.380 5.283 14.873 151 HD12 ILE 18 HD12 ILE 18 13.306 5.583 13.137 152 HD13 ILE 18 HD13 ILE 18 12.263 4.360 13.865 153 H GLU 19 H GLU 19 9.988 3.060 14.126 154 HA GLU 19 HA GLU 19 7.993 3.901 16.113 155 HB2 GLU 19 HB2 GLU 19 8.302 1.146 14.901 156 HB3 GLU 19 HB3 GLU 19 7.150 1.589 16.154 157 HG2 GLU 19 HG2 GLU 19 6.141 3.216 14.566 158 HG3 GLU 19 HG3 GLU 19 7.217 2.594 13.318 159 H ILE 20 H ILE 20 9.020 4.193 17.937 160 HA ILE 20 HA ILE 20 10.963 2.156 18.811 161 HB ILE 20 HB ILE 20 11.025 5.101 19.506 162 HG12 ILE 20 HG12 ILE 20 12.914 3.517 17.741 163 HG13 ILE 20 HG13 ILE 20 11.670 4.612 17.146 164 HG21 ILE 20 HG21 ILE 20 11.853 3.697 21.302 165 HG22 ILE 20 HG22 ILE 20 13.186 4.567 20.546 166 HG23 ILE 20 HG23 ILE 20 12.927 2.862 20.183 167 HD11 ILE 20 HD11 ILE 20 12.773 6.478 18.241 168 HD12 ILE 20 HD12 ILE 20 13.867 5.651 17.131 169 HD13 ILE 20 HD13 ILE 20 14.007 5.386 18.870 170 HA PRO 21 HA PRO 21 7.506 1.778 21.722 171 HB2 PRO 21 HB2 PRO 21 8.533 -0.467 22.925 172 HB3 PRO 21 HB3 PRO 21 7.560 -0.489 21.451 173 HG2 PRO 21 HG2 PRO 21 10.536 -0.603 21.759 174 HG3 PRO 21 HG3 PRO 21 9.488 -1.536 20.675 175 HD2 PRO 21 HD2 PRO 21 10.898 0.562 19.790 176 HD3 PRO 21 HD3 PRO 21 9.266 0.221 19.176 177 H ASP 22 H ASP 22 10.914 1.960 22.340 178 HA ASP 22 HA ASP 22 10.827 2.051 25.175 179 HB2 ASP 22 HB2 ASP 22 12.832 1.803 23.385 180 HB3 ASP 22 HB3 ASP 22 12.993 3.513 23.760 181 H ALA 23 H ALA 23 10.043 4.344 22.743 182 HA ALA 23 HA ALA 23 9.853 6.445 24.789 183 HB1 ALA 23 HB1 ALA 23 10.632 8.109 23.182 184 HB2 ALA 23 HB2 ALA 23 10.901 6.832 21.993 185 HB3 ALA 23 HB3 ALA 23 11.855 6.870 23.477 186 H ASP 24 H ASP 24 8.010 4.546 23.143 187 HA ASP 24 HA ASP 24 5.925 4.587 22.243 188 HB2 ASP 24 HB2 ASP 24 5.957 7.058 23.925 189 HB3 ASP 24 HB3 ASP 24 4.580 6.772 22.868 190 H ILE 25 H ILE 25 8.084 5.539 20.616 191 HA ILE 25 HA ILE 25 7.019 7.767 19.085 192 HB ILE 25 HB ILE 25 9.499 6.092 18.645 193 HG12 ILE 25 HG12 ILE 25 9.159 8.857 19.830 194 HG13 ILE 25 HG13 ILE 25 9.562 7.396 20.730 195 HG21 ILE 25 HG21 ILE 25 10.195 7.864 17.104 196 HG22 ILE 25 HG22 ILE 25 8.640 8.667 17.329 197 HG23 ILE 25 HG23 ILE 25 8.711 7.078 16.564 198 HD11 ILE 25 HD11 ILE 25 11.671 7.233 19.540 199 HD12 ILE 25 HD12 ILE 25 11.514 8.802 20.330 200 HD13 ILE 25 HD13 ILE 25 11.262 8.659 18.590 201 H LYS 26 H LYS 26 5.856 7.567 17.258 202 HA LYS 26 HA LYS 26 6.015 5.268 15.558 203 HB2 LYS 26 HB2 LYS 26 4.574 4.420 17.396 204 HB3 LYS 26 HB3 LYS 26 3.445 5.729 17.091 205 HG2 LYS 26 HG2 LYS 26 3.094 4.826 14.809 206 HG3 LYS 26 HG3 LYS 26 4.132 3.462 15.233 207 HD2 LYS 26 HD2 LYS 26 1.598 4.231 16.684 208 HD3 LYS 26 HD3 LYS 26 1.726 2.946 15.482 209 HE2 LYS 26 HE2 LYS 26 3.439 2.999 17.950 210 HE3 LYS 26 HE3 LYS 26 1.828 2.281 17.948 211 HZ1 LYS 26 HZ1 LYS 26 3.681 0.691 17.536 212 HZ2 LYS 26 HZ2 LYS 26 3.980 1.476 16.059 213 HZ3 LYS 26 HZ3 LYS 26 2.495 0.707 16.326 214 H GLU 27 H GLU 27 6.533 7.002 14.121 215 HA GLU 27 HA GLU 27 4.180 8.321 13.014 216 HB2 GLU 27 HB2 GLU 27 6.672 9.827 13.844 217 HB3 GLU 27 HB3 GLU 27 5.393 10.495 12.840 218 HG2 GLU 27 HG2 GLU 27 3.855 9.871 14.836 219 HG3 GLU 27 HG3 GLU 27 5.362 9.824 15.749 220 HA PRO 28 HA PRO 28 6.122 7.395 9.160 221 HB2 PRO 28 HB2 PRO 28 5.336 9.458 7.593 222 HB3 PRO 28 HB3 PRO 28 4.223 8.195 8.135 223 HG2 PRO 28 HG2 PRO 28 4.658 10.942 9.252 224 HG3 PRO 28 HG3 PRO 28 3.132 10.099 8.926 225 HD2 PRO 28 HD2 PRO 28 4.198 10.239 11.404 226 HD3 PRO 28 HD3 PRO 28 3.281 8.825 10.848 227 H VAL 29 H VAL 29 7.835 7.968 7.731 228 HA VAL 29 HA VAL 29 9.474 10.238 8.650 229 HB VAL 29 HB VAL 29 10.393 7.712 7.257 230 HG11 VAL 29 HG11 VAL 29 11.962 10.052 8.342 231 HG12 VAL 29 HG12 VAL 29 11.775 9.614 6.645 232 HG13 VAL 29 HG13 VAL 29 12.665 8.552 7.736 233 HG21 VAL 29 HG21 VAL 29 11.502 7.200 9.396 234 HG22 VAL 29 HG22 VAL 29 9.746 7.269 9.557 235 HG23 VAL 29 HG23 VAL 29 10.739 8.617 10.111 236 H TYR 30 H TYR 30 10.050 11.735 7.182 237 HA TYR 30 HA TYR 30 8.610 11.540 4.648 238 HB2 TYR 30 HB2 TYR 30 9.764 13.953 6.056 239 HB3 TYR 30 HB3 TYR 30 8.824 13.991 4.564 240 HD1 TYR 30 HD1 TYR 30 6.495 12.711 4.738 241 HD2 TYR 30 HD2 TYR 30 8.620 14.349 8.039 242 HE1 TYR 30 HE1 TYR 30 4.413 12.766 6.041 243 HE2 TYR 30 HE2 TYR 30 6.541 14.414 9.350 244 HH TYR 30 HH TYR 30 4.156 14.438 9.038 245 HA PRO 31 HA PRO 31 12.582 10.876 2.709 246 HB2 PRO 31 HB2 PRO 31 11.562 10.236 0.292 247 HB3 PRO 31 HB3 PRO 31 11.563 9.102 1.649 248 HG2 PRO 31 HG2 PRO 31 9.343 10.823 0.619 249 HG3 PRO 31 HG3 PRO 31 9.291 9.135 1.158 250 HD2 PRO 31 HD2 PRO 31 8.503 11.227 2.718 251 HD3 PRO 31 HD3 PRO 31 9.165 9.719 3.385 252 H GLY 32 H GLY 32 13.859 12.346 1.766 253 HA2 GLY 32 HA2 GLY 32 13.681 13.782 -0.442 254 HA3 GLY 32 HA3 GLY 32 12.638 14.726 0.615 255 HA PRO 33 HA PRO 33 16.969 16.111 1.380 256 HB2 PRO 33 HB2 PRO 33 16.367 18.741 0.478 257 HB3 PRO 33 HB3 PRO 33 17.358 17.530 -0.336 258 HG2 PRO 33 HG2 PRO 33 14.916 18.484 -1.256 259 HG3 PRO 33 HG3 PRO 33 15.694 16.980 -1.778 260 HD2 PRO 33 HD2 PRO 33 13.505 17.397 0.214 261 HD3 PRO 33 HD3 PRO 33 13.725 16.083 -0.963 262 H ALA 34 H ALA 34 17.691 17.437 3.064 263 HA ALA 34 HA ALA 34 15.895 17.977 5.154 264 HB1 ALA 34 HB1 ALA 34 18.298 17.561 5.494 265 HB2 ALA 34 HB2 ALA 34 17.768 19.053 6.271 266 HB3 ALA 34 HB3 ALA 34 18.661 19.119 4.752 267 H THR 35 H THR 35 14.278 19.359 4.820 268 HA THR 35 HA THR 35 14.917 22.087 3.937 269 HB THR 35 HB THR 35 12.649 22.034 2.764 270 HG1 THR 35 HG1 THR 35 13.091 19.217 2.807 271 HG21 THR 35 HG21 THR 35 14.730 22.045 1.504 272 HG22 THR 35 HG22 THR 35 13.571 20.958 0.738 273 HG23 THR 35 HG23 THR 35 14.889 20.300 1.710 274 HA PRO 36 HA PRO 36 12.742 23.560 7.452 275 HB2 PRO 36 HB2 PRO 36 11.205 25.567 6.299 276 HB3 PRO 36 HB3 PRO 36 12.884 25.735 6.816 277 HG2 PRO 36 HG2 PRO 36 11.784 25.217 4.088 278 HG3 PRO 36 HG3 PRO 36 13.143 26.247 4.577 279 HD2 PRO 36 HD2 PRO 36 13.559 23.843 3.483 280 HD3 PRO 36 HD3 PRO 36 14.592 24.445 4.798 281 H GLU 37 H GLU 37 10.757 23.068 4.564 282 HA GLU 37 HA GLU 37 8.248 23.018 5.818 283 HB2 GLU 37 HB2 GLU 37 8.529 23.251 3.394 284 HB3 GLU 37 HB3 GLU 37 9.175 21.619 3.301 285 HG2 GLU 37 HG2 GLU 37 6.925 21.540 2.566 286 HG3 GLU 37 HG3 GLU 37 6.986 20.787 4.158 287 H GLN 38 H GLN 38 10.448 20.361 4.942 288 HA GLN 38 HA GLN 38 8.631 18.370 5.910 289 HB2 GLN 38 HB2 GLN 38 11.540 18.081 5.146 290 HB3 GLN 38 HB3 GLN 38 10.375 16.776 5.320 291 HG2 GLN 38 HG2 GLN 38 10.274 18.980 3.273 292 HG3 GLN 38 HG3 GLN 38 10.761 17.312 2.983 293 HE21 GLN 38 HE21 GLN 38 8.720 16.170 4.680 294 HE22 GLN 38 HE22 GLN 38 7.223 16.345 3.834 295 H LEU 39 H LEU 39 11.542 19.931 7.127 296 HA LEU 39 HA LEU 39 11.775 18.203 9.404 297 HB2 LEU 39 HB2 LEU 39 13.079 20.839 8.744 298 HB3 LEU 39 HB3 LEU 39 13.451 19.898 10.176 299 HG LEU 39 HG LEU 39 13.869 18.987 7.325 300 HD11 LEU 39 HD11 LEU 39 15.842 19.851 9.438 301 HD12 LEU 39 HD12 LEU 39 15.423 20.746 7.978 302 HD13 LEU 39 HD13 LEU 39 16.250 19.194 7.851 303 HD21 LEU 39 HD21 LEU 39 14.572 17.674 9.951 304 HD22 LEU 39 HD22 LEU 39 15.062 17.103 8.356 305 HD23 LEU 39 HD23 LEU 39 13.355 17.124 8.800 306 H ASN 40 H ASN 40 9.614 20.590 8.679 307 HA ASN 40 HA ASN 40 9.239 21.456 11.446 308 HB2 ASN 40 HB2 ASN 40 9.005 23.080 9.552 309 HB3 ASN 40 HB3 ASN 40 7.631 22.150 8.969 310 HD21 ASN 40 HD21 ASN 40 6.091 23.682 9.203 311 HD22 ASN 40 HD22 ASN 40 5.607 24.351 10.727 312 H ARG 41 H ARG 41 8.379 18.941 9.435 313 HA ARG 41 HA ARG 41 5.804 18.508 10.772 314 HB2 ARG 41 HB2 ARG 41 6.926 17.405 8.202 315 HB3 ARG 41 HB3 ARG 41 5.458 16.789 8.949 316 HG2 ARG 41 HG2 ARG 41 5.846 19.663 8.148 317 HG3 ARG 41 HG3 ARG 41 5.099 18.441 7.117 318 HD2 ARG 41 HD2 ARG 41 3.377 19.701 8.241 319 HD3 ARG 41 HD3 ARG 41 3.397 18.054 8.864 320 HE ARG 41 HE ARG 41 4.831 20.126 10.357 321 HH11 ARG 41 HH11 ARG 41 2.070 18.001 10.081 322 HH12 ARG 41 HH12 ARG 41 1.626 18.139 11.754 323 HH21 ARG 41 HH21 ARG 41 4.252 20.321 12.576 324 HH22 ARG 41 HH22 ARG 41 2.871 19.440 13.177 325 H GLY 42 H GLY 42 9.002 17.202 10.387 326 HA2 GLY 42 HA2 GLY 42 9.035 15.824 12.730 327 HA3 GLY 42 HA3 GLY 42 8.345 14.677 11.593 328 H VAL 43 H VAL 43 9.813 13.259 11.072 329 HA VAL 43 HA VAL 43 12.626 14.034 10.972 330 HB VAL 43 HB VAL 43 11.444 11.258 10.812 331 HG11 VAL 43 HG11 VAL 43 13.723 11.394 10.011 332 HG12 VAL 43 HG12 VAL 43 13.680 10.556 11.561 333 HG13 VAL 43 HG13 VAL 43 14.216 12.235 11.477 334 HG21 VAL 43 HG21 VAL 43 11.952 11.064 13.207 335 HG22 VAL 43 HG22 VAL 43 10.745 12.311 12.890 336 HG23 VAL 43 HG23 VAL 43 12.414 12.764 13.237 337 H SER 44 H SER 44 13.683 14.252 9.108 338 HA SER 44 HA SER 44 12.605 13.027 6.670 339 HB2 SER 44 HB2 SER 44 13.314 15.966 6.904 340 HB3 SER 44 HB3 SER 44 12.783 15.140 5.437 341 HG SER 44 HG SER 44 11.063 14.703 7.476 342 H PHE 45 H PHE 45 14.145 12.740 5.010 343 HA PHE 45 HA PHE 45 16.777 12.201 5.909 344 HB2 PHE 45 HB2 PHE 45 15.614 12.305 3.118 345 HB3 PHE 45 HB3 PHE 45 17.242 11.744 3.481 346 HD1 PHE 45 HD1 PHE 45 13.672 11.085 4.316 347 HD2 PHE 45 HD2 PHE 45 17.611 9.515 3.962 348 HE1 PHE 45 HE1 PHE 45 12.800 8.821 4.720 349 HE2 PHE 45 HE2 PHE 45 16.746 7.247 4.359 350 HZ PHE 45 HZ PHE 45 14.339 6.901 4.746 351 H ALA 46 H ALA 46 18.743 13.028 4.669 352 HA ALA 46 HA ALA 46 18.587 15.963 4.660 353 HB1 ALA 46 HB1 ALA 46 20.980 14.159 4.988 354 HB2 ALA 46 HB2 ALA 46 20.125 14.999 6.282 355 HB3 ALA 46 HB3 ALA 46 21.000 15.921 5.060 356 H GLU 47 H GLU 47 20.246 13.320 2.917 357 HA GLU 47 HA GLU 47 20.651 15.146 0.658 358 HB2 GLU 47 HB2 GLU 47 21.814 12.409 1.214 359 HB3 GLU 47 HB3 GLU 47 22.209 13.417 -0.171 360 HG2 GLU 47 HG2 GLU 47 23.157 15.103 1.292 361 HG3 GLU 47 HG3 GLU 47 22.709 14.148 2.706 362 H GLU 48 H GLU 48 20.329 14.252 -1.529 363 HA GLU 48 HA GLU 48 17.840 12.720 -1.637 364 HB2 GLU 48 HB2 GLU 48 19.340 14.244 -3.775 365 HB3 GLU 48 HB3 GLU 48 17.831 13.381 -4.039 366 HG2 GLU 48 HG2 GLU 48 16.720 14.851 -2.421 367 HG3 GLU 48 HG3 GLU 48 18.235 15.731 -2.203 368 H ASN 49 H ASN 49 21.213 12.434 -2.235 369 HA ASN 49 HA ASN 49 21.031 10.264 -4.099 370 HB2 ASN 49 HB2 ASN 49 22.983 11.853 -3.938 371 HB3 ASN 49 HB3 ASN 49 23.436 11.040 -2.444 372 HD21 ASN 49 HD21 ASN 49 22.121 9.653 -5.409 373 HD22 ASN 49 HD22 ASN 49 23.479 8.634 -5.748 374 H GLU 50 H GLU 50 21.172 10.554 -0.626 375 HA GLU 50 HA GLU 50 22.133 7.956 -0.069 376 HB2 GLU 50 HB2 GLU 50 21.295 8.314 2.209 377 HB3 GLU 50 HB3 GLU 50 22.220 9.689 1.626 378 HG2 GLU 50 HG2 GLU 50 20.143 10.894 1.174 379 HG3 GLU 50 HG3 GLU 50 19.217 9.511 1.759 380 H SER 51 H SER 51 20.961 6.137 0.743 381 HA SER 51 HA SER 51 18.174 5.918 0.009 382 HB2 SER 51 HB2 SER 51 19.196 5.732 -2.181 383 HB3 SER 51 HB3 SER 51 20.366 4.562 -1.583 384 HG SER 51 HG SER 51 18.775 3.432 -2.617 385 H LEU 52 H LEU 52 17.228 4.010 0.734 386 HA LEU 52 HA LEU 52 18.443 2.799 2.987 387 HB2 LEU 52 HB2 LEU 52 16.409 1.380 3.019 388 HB3 LEU 52 HB3 LEU 52 16.076 3.099 2.942 389 HG LEU 52 HG LEU 52 15.722 2.770 0.434 390 HD11 LEU 52 HD11 LEU 52 15.511 -0.117 1.282 391 HD12 LEU 52 HD12 LEU 52 16.754 0.559 0.231 392 HD13 LEU 52 HD13 LEU 52 15.070 0.541 -0.293 393 HD21 LEU 52 HD21 LEU 52 13.847 1.471 2.402 394 HD22 LEU 52 HD22 LEU 52 13.421 2.005 0.776 395 HD23 LEU 52 HD23 LEU 52 13.913 3.186 1.990 396 H ASP 53 H ASP 53 18.870 2.284 -0.253 397 HA ASP 53 HA ASP 53 19.369 -0.565 -0.155 398 HB2 ASP 53 HB2 ASP 53 18.496 0.445 -2.204 399 HB3 ASP 53 HB3 ASP 53 19.894 1.509 -2.298 400 H ASP 54 H ASP 54 21.129 2.407 0.195 401 HA ASP 54 HA ASP 54 23.713 1.112 -0.195 402 HB2 ASP 54 HB2 ASP 54 23.102 3.439 -1.098 403 HB3 ASP 54 HB3 ASP 54 23.251 3.998 0.565 404 H GLN 55 H GLN 55 25.174 2.761 1.674 405 HA GLN 55 HA GLN 55 24.374 1.370 4.144 406 HB2 GLN 55 HB2 GLN 55 26.688 1.293 4.768 407 HB3 GLN 55 HB3 GLN 55 26.548 0.691 3.123 408 HG2 GLN 55 HG2 GLN 55 27.285 2.881 2.280 409 HG3 GLN 55 HG3 GLN 55 27.471 3.434 3.944 410 HE21 GLN 55 HE21 GLN 55 29.117 2.576 5.213 411 HE22 GLN 55 HE22 GLN 55 30.480 1.762 4.523 412 H ASN 56 H ASN 56 25.072 4.481 2.744 413 HA ASN 56 HA ASN 56 25.235 5.675 5.400 414 HB2 ASN 56 HB2 ASN 56 25.888 7.742 4.361 415 HB3 ASN 56 HB3 ASN 56 26.852 6.443 3.678 416 HD21 ASN 56 HD21 ASN 56 24.393 8.827 3.068 417 HD22 ASN 56 HD22 ASN 56 24.400 8.671 1.346 418 H ILE 57 H ILE 57 23.561 6.343 6.394 419 HA ILE 57 HA ILE 57 21.276 7.448 4.902 420 HB ILE 57 HB ILE 57 21.242 5.688 7.364 421 HG12 ILE 57 HG12 ILE 57 21.382 4.481 5.232 422 HG13 ILE 57 HG13 ILE 57 19.829 4.216 6.019 423 HG21 ILE 57 HG21 ILE 57 18.831 5.998 7.445 424 HG22 ILE 57 HG22 ILE 57 18.926 7.151 6.115 425 HG23 ILE 57 HG23 ILE 57 19.677 7.528 7.665 426 HD11 ILE 57 HD11 ILE 57 20.323 6.140 3.759 427 HD12 ILE 57 HD12 ILE 57 18.769 5.788 4.516 428 HD13 ILE 57 HD13 ILE 57 19.610 4.535 3.602 429 H SER 58 H SER 58 20.755 9.493 5.530 430 HA SER 58 HA SER 58 21.658 10.377 8.187 431 HB2 SER 58 HB2 SER 58 23.304 11.161 6.532 432 HB3 SER 58 HB3 SER 58 22.014 11.922 5.604 433 HG SER 58 HG SER 58 21.609 13.243 7.453 434 H ILE 59 H ILE 59 19.536 10.219 8.930 435 HA ILE 59 HA ILE 59 17.553 11.935 7.605 436 HB ILE 59 HB ILE 59 16.823 10.105 9.855 437 HG12 ILE 59 HG12 ILE 59 17.114 9.191 6.984 438 HG13 ILE 59 HG13 ILE 59 18.201 8.736 8.292 439 HG21 ILE 59 HG21 ILE 59 15.411 10.901 7.316 440 HG22 ILE 59 HG22 ILE 59 15.207 11.684 8.882 441 HG23 ILE 59 HG23 ILE 59 14.717 10.002 8.665 442 HD11 ILE 59 HD11 ILE 59 15.265 8.091 8.138 443 HD12 ILE 59 HD12 ILE 59 16.359 7.628 9.442 444 HD13 ILE 59 HD13 ILE 59 16.596 6.976 7.820 445 H ALA 60 H ALA 60 16.935 13.782 8.565 446 HA ALA 60 HA ALA 60 18.142 14.417 11.152 447 HB1 ALA 60 HB1 ALA 60 18.533 15.966 9.294 448 HB2 ALA 60 HB2 ALA 60 17.653 16.738 10.613 449 HB3 ALA 60 HB3 ALA 60 16.796 16.233 9.156 450 H GLY 61 H GLY 61 17.003 14.788 12.952 451 HA2 GLY 61 HA2 GLY 61 14.056 14.790 12.729 452 HA3 GLY 61 HA3 GLY 61 14.902 13.895 13.989 453 H HIS 62 H HIS 62 13.009 15.730 14.725 454 HA HIS 62 HA HIS 62 14.645 17.926 15.791 455 HB2 HIS 62 HB2 HIS 62 11.983 18.119 14.404 456 HB3 HIS 62 HB3 HIS 62 12.498 19.342 15.560 457 HD1 HIS 62 HD1 HIS 62 13.445 21.294 14.420 458 HD2 HIS 62 HD2 HIS 62 14.312 17.771 12.387 459 HE1 HIS 62 HE1 HIS 62 14.841 21.977 12.439 460 H THR 63 H THR 63 14.237 18.529 17.857 461 HA THR 63 HA THR 63 12.094 17.076 19.257 462 HB THR 63 HB THR 63 14.739 18.027 20.388 463 HG1 THR 63 HG1 THR 63 13.901 15.330 20.153 464 HG21 THR 63 HG21 THR 63 12.940 18.076 22.049 465 HG22 THR 63 HG22 THR 63 14.086 16.781 22.399 466 HG23 THR 63 HG23 THR 63 12.528 16.404 21.662 467 H PHE 64 H PHE 64 10.498 18.343 19.919 468 HA PHE 64 HA PHE 64 11.077 21.173 20.455 469 HB2 PHE 64 HB2 PHE 64 8.522 19.757 19.722 470 HB3 PHE 64 HB3 PHE 64 8.525 21.382 20.399 471 HD1 PHE 64 HD1 PHE 64 9.858 23.171 19.170 472 HD2 PHE 64 HD2 PHE 64 8.822 19.424 17.441 473 HE1 PHE 64 HE1 PHE 64 10.214 24.115 16.926 474 HE2 PHE 64 HE2 PHE 64 9.174 20.362 15.194 475 HZ PHE 64 HZ PHE 64 9.870 22.708 14.933 476 H ILE 65 H ILE 65 11.531 21.490 22.505 477 HA ILE 65 HA ILE 65 10.984 19.670 24.559 478 HB ILE 65 HB ILE 65 12.871 21.246 24.595 479 HG12 ILE 65 HG12 ILE 65 12.712 21.898 26.982 480 HG13 ILE 65 HG13 ILE 65 10.994 21.511 26.951 481 HG21 ILE 65 HG21 ILE 65 10.779 23.344 25.133 482 HG22 ILE 65 HG22 ILE 65 11.783 23.208 23.689 483 HG23 ILE 65 HG23 ILE 65 12.521 23.584 25.246 484 HD11 ILE 65 HD11 ILE 65 11.531 19.184 26.446 485 HD12 ILE 65 HD12 ILE 65 12.275 19.717 27.952 486 HD13 ILE 65 HD13 ILE 65 13.251 19.574 26.490 487 H ASP 66 H ASP 66 9.119 22.356 23.346 488 HA ASP 66 HA ASP 66 7.346 22.214 25.677 489 HB2 ASP 66 HB2 ASP 66 8.132 24.445 24.863 490 HB3 ASP 66 HB3 ASP 66 7.239 24.167 23.370 491 H ARG 67 H ARG 67 7.663 20.544 22.953 492 HA ARG 67 HA ARG 67 4.779 20.005 22.882 493 HB2 ARG 67 HB2 ARG 67 6.614 20.393 20.549 494 HB3 ARG 67 HB3 ARG 67 5.299 19.235 20.415 495 HG2 ARG 67 HG2 ARG 67 4.312 21.121 19.581 496 HG3 ARG 67 HG3 ARG 67 3.841 21.218 21.277 497 HD2 ARG 67 HD2 ARG 67 4.575 23.353 20.950 498 HD3 ARG 67 HD3 ARG 67 6.080 22.593 21.463 499 HE ARG 67 HE ARG 67 5.949 22.374 18.694 500 HH11 ARG 67 HH11 ARG 67 6.136 24.945 21.076 501 HH12 ARG 67 HH12 ARG 67 6.984 26.035 20.017 502 HH21 ARG 67 HH21 ARG 67 6.988 23.815 17.291 503 HH22 ARG 67 HH22 ARG 67 7.454 25.403 17.849 504 HA PRO 68 HA PRO 68 7.082 16.282 24.132 505 HB2 PRO 68 HB2 PRO 68 5.281 15.384 25.918 506 HB3 PRO 68 HB3 PRO 68 6.391 16.710 26.286 507 HG2 PRO 68 HG2 PRO 68 3.511 16.811 25.492 508 HG3 PRO 68 HG3 PRO 68 4.368 17.760 26.719 509 HD2 PRO 68 HD2 PRO 68 3.772 18.683 24.208 510 HD3 PRO 68 HD3 PRO 68 5.133 19.275 25.182 511 H ASN 69 H ASN 69 4.394 16.679 22.250 512 HA ASN 69 HA ASN 69 3.912 13.791 22.032 513 HB2 ASN 69 HB2 ASN 69 2.305 16.191 21.217 514 HB3 ASN 69 HB3 ASN 69 2.034 14.642 20.428 515 HD21 ASN 69 HD21 ASN 69 3.043 14.755 23.737 516 HD22 ASN 69 HD22 ASN 69 1.532 14.286 24.430 517 H TYR 70 H TYR 70 5.892 16.038 20.799 518 HA TYR 70 HA TYR 70 5.933 15.192 18.051 519 HB2 TYR 70 HB2 TYR 70 6.850 17.394 19.263 520 HB3 TYR 70 HB3 TYR 70 8.315 16.426 19.365 521 HD1 TYR 70 HD1 TYR 70 5.737 17.427 16.853 522 HD2 TYR 70 HD2 TYR 70 9.830 16.593 17.641 523 HE1 TYR 70 HE1 TYR 70 6.310 18.103 14.559 524 HE2 TYR 70 HE2 TYR 70 10.415 17.266 15.349 525 HH TYR 70 HH TYR 70 8.250 18.915 13.314 526 H GLN 71 H GLN 71 7.356 13.671 17.144 527 HA GLN 71 HA GLN 71 7.522 11.399 18.740 528 HB2 GLN 71 HB2 GLN 71 8.415 10.245 16.863 529 HB3 GLN 71 HB3 GLN 71 7.220 11.387 16.285 530 HG2 GLN 71 HG2 GLN 71 10.210 11.625 16.079 531 HG3 GLN 71 HG3 GLN 71 9.073 11.318 14.773 532 HE21 GLN 71 HE21 GLN 71 7.614 13.042 14.189 533 HE22 GLN 71 HE22 GLN 71 8.108 14.686 14.426 534 H PHE 72 H PHE 72 10.175 13.570 17.756 535 HA PHE 72 HA PHE 72 12.065 11.839 19.128 536 HB2 PHE 72 HB2 PHE 72 12.299 14.170 17.288 537 HB3 PHE 72 HB3 PHE 72 13.639 13.844 18.383 538 HD1 PHE 72 HD1 PHE 72 11.622 11.067 17.152 539 HD2 PHE 72 HD2 PHE 72 15.107 13.420 16.495 540 HE1 PHE 72 HE1 PHE 72 12.487 9.352 15.614 541 HE2 PHE 72 HE2 PHE 72 15.975 11.715 14.952 542 HZ PHE 72 HZ PHE 72 14.667 9.677 14.508 543 H THR 73 H THR 73 9.950 13.966 20.289 544 HA THR 73 HA THR 73 11.654 15.507 22.011 545 HB THR 73 HB THR 73 8.679 14.981 22.211 546 HG1 THR 73 HG1 THR 73 8.697 17.234 21.373 547 HG21 THR 73 HG21 THR 73 9.566 15.689 24.358 548 HG22 THR 73 HG22 THR 73 8.656 17.011 23.626 549 HG23 THR 73 HG23 THR 73 10.421 17.030 23.593 550 H ASN 74 H ASN 74 9.964 12.439 22.207 551 HA ASN 74 HA ASN 74 10.633 12.170 25.038 552 HB2 ASN 74 HB2 ASN 74 8.383 11.447 24.020 553 HB3 ASN 74 HB3 ASN 74 9.263 10.084 23.342 554 HD21 ASN 74 HD21 ASN 74 8.089 8.596 24.555 555 HD22 ASN 74 HD22 ASN 74 8.337 8.407 26.264 556 H LEU 75 H LEU 75 12.491 12.085 22.589 557 HA LEU 75 HA LEU 75 13.542 9.415 22.539 558 HB2 LEU 75 HB2 LEU 75 13.602 11.124 20.660 559 HB3 LEU 75 HB3 LEU 75 14.910 11.897 21.535 560 HG LEU 75 HG LEU 75 16.268 9.872 21.334 561 HD11 LEU 75 HD11 LEU 75 15.515 8.018 19.926 562 HD12 LEU 75 HD12 LEU 75 13.934 8.784 19.764 563 HD13 LEU 75 HD13 LEU 75 14.481 8.216 21.341 564 HD21 LEU 75 HD21 LEU 75 15.090 10.799 18.722 565 HD22 LEU 75 HD22 LEU 75 16.628 9.958 18.916 566 HD23 LEU 75 HD23 LEU 75 16.413 11.570 19.598 567 H LYS 76 H LYS 76 13.456 11.099 25.059 568 HA LYS 76 HA LYS 76 16.245 10.800 25.899 569 HB2 LYS 76 HB2 LYS 76 15.467 11.963 27.979 570 HB3 LYS 76 HB3 LYS 76 15.303 12.920 26.517 571 HG2 LYS 76 HG2 LYS 76 13.313 13.342 27.591 572 HG3 LYS 76 HG3 LYS 76 12.862 12.030 26.510 573 HD2 LYS 76 HD2 LYS 76 13.024 10.433 28.309 574 HD3 LYS 76 HD3 LYS 76 13.631 11.677 29.405 575 HE2 LYS 76 HE2 LYS 76 10.945 11.839 28.056 576 HE3 LYS 76 HE3 LYS 76 11.180 11.087 29.633 577 HZ1 LYS 76 HZ1 LYS 76 12.014 13.878 29.068 578 HZ2 LYS 76 HZ2 LYS 76 11.825 13.125 30.577 579 HZ3 LYS 76 HZ3 LYS 76 10.464 13.487 29.633 580 H ALA 77 H ALA 77 13.114 9.421 26.104 581 HA ALA 77 HA ALA 77 13.514 7.870 28.467 582 HB1 ALA 77 HB1 ALA 77 11.448 6.772 27.869 583 HB2 ALA 77 HB2 ALA 77 11.530 7.438 26.239 584 HB3 ALA 77 HB3 ALA 77 11.286 8.510 27.617 585 H ALA 78 H ALA 78 14.063 7.385 25.056 586 HA ALA 78 HA ALA 78 14.756 4.601 25.300 587 HB1 ALA 78 HB1 ALA 78 13.855 5.500 23.206 588 HB2 ALA 78 HB2 ALA 78 15.459 4.806 22.964 589 HB3 ALA 78 HB3 ALA 78 15.259 6.556 23.049 590 H LYS 79 H LYS 79 16.912 3.796 24.778 591 HA LYS 79 HA LYS 79 18.999 5.569 25.829 592 HB2 LYS 79 HB2 LYS 79 19.865 3.696 27.194 593 HB3 LYS 79 HB3 LYS 79 18.299 4.270 27.716 594 HG2 LYS 79 HG2 LYS 79 18.565 1.896 25.916 595 HG3 LYS 79 HG3 LYS 79 18.727 1.743 27.662 596 HD2 LYS 79 HD2 LYS 79 16.318 2.789 26.170 597 HD3 LYS 79 HD3 LYS 79 16.468 1.202 26.922 598 HE2 LYS 79 HE2 LYS 79 16.802 2.367 29.112 599 HE3 LYS 79 HE3 LYS 79 16.411 3.882 28.295 600 HZ1 LYS 79 HZ1 LYS 79 14.648 1.511 28.580 601 HZ2 LYS 79 HZ2 LYS 79 14.266 2.869 27.640 602 HZ3 LYS 79 HZ3 LYS 79 14.438 3.021 29.321 603 H LYS 80 H LYS 80 21.108 3.969 25.868 604 HA LYS 80 HA LYS 80 21.830 3.893 23.138 605 HB2 LYS 80 HB2 LYS 80 23.997 3.244 23.834 606 HB3 LYS 80 HB3 LYS 80 23.385 4.321 25.077 607 HG2 LYS 80 HG2 LYS 80 23.261 1.326 25.312 608 HG3 LYS 80 HG3 LYS 80 24.635 2.280 25.868 609 HD2 LYS 80 HD2 LYS 80 21.785 2.570 26.824 610 HD3 LYS 80 HD3 LYS 80 23.087 1.758 27.696 611 HE2 LYS 80 HE2 LYS 80 24.347 3.932 27.630 612 HE3 LYS 80 HE3 LYS 80 22.879 4.677 26.995 613 HZ1 LYS 80 HZ1 LYS 80 22.992 4.991 29.363 614 HZ2 LYS 80 HZ2 LYS 80 23.171 3.324 29.623 615 HZ3 LYS 80 HZ3 LYS 80 21.714 3.931 29.011 616 H GLY 81 H GLY 81 20.211 1.659 25.001 617 HA2 GLY 81 HA2 GLY 81 20.716 -0.392 22.947 618 HA3 GLY 81 HA3 GLY 81 20.596 -0.829 24.639 619 H SER 82 H SER 82 18.716 1.209 22.432 620 HA SER 82 HA SER 82 16.311 -0.196 23.281 621 HB2 SER 82 HB2 SER 82 16.653 2.551 22.060 622 HB3 SER 82 HB3 SER 82 15.100 1.805 22.436 623 HG SER 82 HG SER 82 15.571 1.881 24.588 624 H MET 83 H MET 83 14.948 -0.980 21.785 625 HA MET 83 HA MET 83 16.050 -1.623 19.201 626 HB2 MET 83 HB2 MET 83 13.613 -2.457 20.715 627 HB3 MET 83 HB3 MET 83 13.672 -2.716 18.976 628 HG2 MET 83 HG2 MET 83 16.017 -3.585 20.522 629 HG3 MET 83 HG3 MET 83 14.532 -4.506 20.754 630 HE1 MET 83 HE1 MET 83 16.044 -2.693 17.543 631 HE2 MET 83 HE2 MET 83 16.838 -4.069 16.773 632 HE3 MET 83 HE3 MET 83 17.401 -3.485 18.342 633 H VAL 84 H VAL 84 16.022 -0.179 17.710 634 HA VAL 84 HA VAL 84 13.729 1.627 17.417 635 HB VAL 84 HB VAL 84 16.469 1.689 16.128 636 HG11 VAL 84 HG11 VAL 84 14.181 3.648 15.932 637 HG12 VAL 84 HG12 VAL 84 14.819 2.644 14.629 638 HG13 VAL 84 HG13 VAL 84 15.811 3.929 15.319 639 HG21 VAL 84 HG21 VAL 84 15.251 3.423 18.276 640 HG22 VAL 84 HG22 VAL 84 16.831 3.667 17.534 641 HG23 VAL 84 HG23 VAL 84 16.527 2.224 18.501 642 H TYR 85 H TYR 85 12.207 1.062 16.005 643 HA TYR 85 HA TYR 85 12.905 -0.884 13.935 644 HB2 TYR 85 HB2 TYR 85 10.214 -0.072 15.044 645 HB3 TYR 85 HB3 TYR 85 10.447 -1.228 13.736 646 HD1 TYR 85 HD1 TYR 85 12.283 -3.103 14.364 647 HD2 TYR 85 HD2 TYR 85 9.868 -0.968 17.136 648 HE1 TYR 85 HE1 TYR 85 12.575 -4.915 16.008 649 HE2 TYR 85 HE2 TYR 85 10.155 -2.766 18.786 650 HH TYR 85 HH TYR 85 12.457 -5.241 18.437 651 H PHE 86 H PHE 86 13.323 -0.141 12.019 652 HA PHE 86 HA PHE 86 11.951 2.300 11.100 653 HB2 PHE 86 HB2 PHE 86 14.467 2.281 11.056 654 HB3 PHE 86 HB3 PHE 86 14.387 0.966 9.890 655 HD1 PHE 86 HD1 PHE 86 12.609 4.226 10.269 656 HD2 PHE 86 HD2 PHE 86 14.931 1.672 7.779 657 HE1 PHE 86 HE1 PHE 86 12.450 5.868 8.443 658 HE2 PHE 86 HE2 PHE 86 14.775 3.310 5.950 659 HZ PHE 86 HZ PHE 86 13.534 5.410 6.279 660 H LYS 87 H LYS 87 10.106 1.700 10.196 661 HA LYS 87 HA LYS 87 9.969 -0.843 8.743 662 HB2 LYS 87 HB2 LYS 87 8.383 -0.358 10.571 663 HB3 LYS 87 HB3 LYS 87 7.765 0.992 9.649 664 HG2 LYS 87 HG2 LYS 87 6.966 -0.496 7.925 665 HG3 LYS 87 HG3 LYS 87 7.672 -1.882 8.765 666 HD2 LYS 87 HD2 LYS 87 5.290 -1.752 9.219 667 HD3 LYS 87 HD3 LYS 87 6.209 -1.439 10.692 668 HE2 LYS 87 HE2 LYS 87 5.949 1.031 10.153 669 HE3 LYS 87 HE3 LYS 87 4.768 0.537 8.940 670 HZ1 LYS 87 HZ1 LYS 87 3.569 1.047 10.886 671 HZ2 LYS 87 HZ2 LYS 87 4.626 0.160 11.874 672 HZ3 LYS 87 HZ3 LYS 87 3.591 -0.648 10.797 673 H VAL 88 H VAL 88 10.095 -0.817 6.668 674 HA VAL 88 HA VAL 88 9.261 1.601 5.215 675 HB VAL 88 HB VAL 88 10.824 0.733 3.369 676 HG11 VAL 88 HG11 VAL 88 11.265 2.732 4.689 677 HG12 VAL 88 HG12 VAL 88 12.757 1.844 4.385 678 HG13 VAL 88 HG13 VAL 88 11.980 1.746 5.964 679 HG21 VAL 88 HG21 VAL 88 11.264 -1.482 4.211 680 HG22 VAL 88 HG22 VAL 88 11.892 -0.827 5.722 681 HG23 VAL 88 HG23 VAL 88 12.767 -0.560 4.214 682 H GLY 89 H GLY 89 7.257 1.181 4.619 683 HA2 GLY 89 HA2 GLY 89 5.518 0.252 3.437 684 HA3 GLY 89 HA3 GLY 89 6.698 -0.769 2.625 685 H ASN 90 H ASN 90 6.917 -2.842 3.224 686 HA ASN 90 HA ASN 90 5.225 -3.775 5.443 687 HB2 ASN 90 HB2 ASN 90 4.580 -4.549 3.152 688 HB3 ASN 90 HB3 ASN 90 6.144 -5.339 3.018 689 HD21 ASN 90 HD21 ASN 90 4.188 -5.213 5.947 690 HD22 ASN 90 HD22 ASN 90 3.864 -6.914 6.009 691 H GLU 91 H GLU 91 8.337 -3.126 4.688 692 HA GLU 91 HA GLU 91 9.494 -5.499 5.955 693 HB2 GLU 91 HB2 GLU 91 10.800 -3.161 4.555 694 HB3 GLU 91 HB3 GLU 91 11.659 -4.539 5.224 695 HG2 GLU 91 HG2 GLU 91 9.564 -4.774 3.086 696 HG3 GLU 91 HG3 GLU 91 11.283 -4.584 2.750 697 H THR 92 H THR 92 10.828 -5.332 7.787 698 HA THR 92 HA THR 92 10.777 -2.747 9.193 699 HB THR 92 HB THR 92 10.161 -5.397 10.516 700 HG1 THR 92 HG1 THR 92 8.575 -3.781 9.101 701 HG21 THR 92 HG21 THR 92 11.256 -3.774 11.991 702 HG22 THR 92 HG22 THR 92 9.568 -4.010 12.452 703 HG23 THR 92 HG23 THR 92 10.047 -2.564 11.562 704 H ARG 93 H ARG 93 12.842 -2.194 9.461 705 HA ARG 93 HA ARG 93 14.827 -4.320 9.863 706 HB2 ARG 93 HB2 ARG 93 15.368 -1.417 9.222 707 HB3 ARG 93 HB3 ARG 93 16.494 -2.764 9.114 708 HG2 ARG 93 HG2 ARG 93 15.036 -3.733 7.331 709 HG3 ARG 93 HG3 ARG 93 14.102 -2.238 7.367 710 HD2 ARG 93 HD2 ARG 93 15.655 -2.049 5.582 711 HD3 ARG 93 HD3 ARG 93 16.234 -1.009 6.883 712 HE ARG 93 HE ARG 93 17.973 -2.569 7.324 713 HH11 ARG 93 HH11 ARG 93 16.043 -3.375 4.494 714 HH12 ARG 93 HH12 ARG 93 17.260 -4.424 3.823 715 HH21 ARG 93 HH21 ARG 93 19.546 -3.976 6.444 716 HH22 ARG 93 HH22 ARG 93 19.227 -4.769 4.922 717 H LYS 94 H LYS 94 16.140 -4.348 11.658 718 HA LYS 94 HA LYS 94 15.123 -2.770 13.912 719 HB2 LYS 94 HB2 LYS 94 16.999 -5.077 14.250 720 HB3 LYS 94 HB3 LYS 94 15.752 -4.491 15.334 721 HG2 LYS 94 HG2 LYS 94 14.031 -5.421 13.912 722 HG3 LYS 94 HG3 LYS 94 15.252 -5.958 12.755 723 HD2 LYS 94 HD2 LYS 94 14.973 -6.872 15.616 724 HD3 LYS 94 HD3 LYS 94 14.559 -7.807 14.179 725 HE2 LYS 94 HE2 LYS 94 16.891 -7.804 13.475 726 HE3 LYS 94 HE3 LYS 94 17.323 -6.795 14.858 727 HZ1 LYS 94 HZ1 LYS 94 16.639 -8.588 16.332 728 HZ2 LYS 94 HZ2 LYS 94 17.846 -9.118 15.258 729 HZ3 LYS 94 HZ3 LYS 94 16.229 -9.556 15.000 730 H TYR 95 H TYR 95 16.345 -1.265 14.842 731 HA TYR 95 HA TYR 95 19.253 -1.364 14.394 732 HB2 TYR 95 HB2 TYR 95 17.501 1.103 14.420 733 HB3 TYR 95 HB3 TYR 95 19.258 1.102 14.300 734 HD1 TYR 95 HD1 TYR 95 16.124 0.331 12.547 735 HD2 TYR 95 HD2 TYR 95 20.360 0.521 12.249 736 HE1 TYR 95 HE1 TYR 95 15.957 0.116 10.101 737 HE2 TYR 95 HE2 TYR 95 20.208 0.302 9.807 738 HH TYR 95 HH TYR 95 18.626 -0.617 8.153 739 H LYS 96 H LYS 96 20.549 -0.718 16.085 740 HA LYS 96 HA LYS 96 19.179 -0.353 18.667 741 HB2 LYS 96 HB2 LYS 96 20.667 -2.366 18.409 742 HB3 LYS 96 HB3 LYS 96 22.023 -1.279 18.164 743 HG2 LYS 96 HG2 LYS 96 22.207 -1.829 20.399 744 HG3 LYS 96 HG3 LYS 96 21.341 -0.296 20.460 745 HD2 LYS 96 HD2 LYS 96 20.304 -1.837 21.981 746 HD3 LYS 96 HD3 LYS 96 19.215 -1.559 20.622 747 HE2 LYS 96 HE2 LYS 96 19.704 -3.666 19.676 748 HE3 LYS 96 HE3 LYS 96 21.106 -3.894 20.719 749 HZ1 LYS 96 HZ1 LYS 96 19.083 -5.188 21.355 750 HZ2 LYS 96 HZ2 LYS 96 18.330 -3.721 21.757 751 HZ3 LYS 96 HZ3 LYS 96 19.722 -4.214 22.589 752 H MET 97 H MET 97 19.736 1.409 19.927 753 HA MET 97 HA MET 97 20.849 3.651 18.507 754 HB2 MET 97 HB2 MET 97 20.090 3.549 21.432 755 HB3 MET 97 HB3 MET 97 20.174 4.964 20.393 756 HG2 MET 97 HG2 MET 97 18.292 4.071 19.077 757 HG3 MET 97 HG3 MET 97 18.182 2.718 20.198 758 HE1 MET 97 HE1 MET 97 18.839 6.585 20.890 759 HE2 MET 97 HE2 MET 97 17.188 7.107 21.231 760 HE3 MET 97 HE3 MET 97 17.613 6.530 19.621 761 H THR 98 H THR 98 22.911 2.296 18.320 762 HA THR 98 HA THR 98 24.435 1.613 20.574 763 HB THR 98 HB THR 98 26.286 1.280 18.908 764 HG1 THR 98 HG1 THR 98 26.052 2.445 17.147 765 HG21 THR 98 HG21 THR 98 25.178 -0.570 17.757 766 HG22 THR 98 HG22 THR 98 23.603 0.097 18.189 767 HG23 THR 98 HG23 THR 98 24.685 -0.499 19.450 768 H SER 99 H SER 99 24.507 4.497 18.525 769 HA SER 99 HA SER 99 26.489 5.602 20.395 770 HB2 SER 99 HB2 SER 99 26.345 6.002 17.406 771 HB3 SER 99 HB3 SER 99 27.359 6.968 18.473 772 HG SER 99 HG SER 99 27.592 4.276 17.717 773 H ILE 100 H ILE 100 25.095 6.700 21.667 774 HA ILE 100 HA ILE 100 23.607 8.900 20.391 775 HB ILE 100 HB ILE 100 23.188 7.692 23.137 776 HG12 ILE 100 HG12 ILE 100 21.463 7.546 20.653 777 HG13 ILE 100 HG13 ILE 100 22.452 6.230 21.280 778 HG21 ILE 100 HG21 ILE 100 21.210 9.133 23.241 779 HG22 ILE 100 HG22 ILE 100 21.641 9.838 21.684 780 HG23 ILE 100 HG23 ILE 100 22.689 10.080 23.081 781 HD11 ILE 100 HD11 ILE 100 20.124 5.946 21.875 782 HD12 ILE 100 HD12 ILE 100 20.123 7.515 22.683 783 HD13 ILE 100 HD13 ILE 100 21.112 6.197 23.315 784 H ARG 101 H ARG 101 24.754 10.722 20.464 785 HA ARG 101 HA ARG 101 26.059 11.480 22.952 786 HB2 ARG 101 HB2 ARG 101 27.806 10.272 21.787 787 HB3 ARG 101 HB3 ARG 101 27.516 11.194 20.321 788 HG2 ARG 101 HG2 ARG 101 28.297 13.215 21.431 789 HG3 ARG 101 HG3 ARG 101 28.575 12.296 22.914 790 HD2 ARG 101 HD2 ARG 101 30.275 10.997 21.890 791 HD3 ARG 101 HD3 ARG 101 29.858 11.597 20.286 792 HE ARG 101 HE ARG 101 30.562 13.805 21.814 793 HH11 ARG 101 HH11 ARG 101 32.120 10.843 20.780 794 HH12 ARG 101 HH12 ARG 101 33.682 11.578 20.581 795 HH21 ARG 101 HH21 ARG 101 32.597 14.777 21.556 796 HH22 ARG 101 HH22 ARG 101 33.949 13.835 20.996 797 H ASP 102 H ASP 102 26.469 13.711 23.098 798 HA ASP 102 HA ASP 102 24.947 15.286 21.156 799 HB2 ASP 102 HB2 ASP 102 24.922 17.052 22.927 800 HB3 ASP 102 HB3 ASP 102 24.110 15.563 23.392 801 H VAL 103 H VAL 103 26.440 15.562 19.569 802 HA VAL 103 HA VAL 103 28.922 16.952 20.253 803 HB VAL 103 HB VAL 103 29.469 16.672 17.801 804 HG11 VAL 103 HG11 VAL 103 28.949 14.185 19.417 805 HG12 VAL 103 HG12 VAL 103 30.411 15.173 19.435 806 HG13 VAL 103 HG13 VAL 103 29.975 14.266 17.986 807 HG21 VAL 103 HG21 VAL 103 28.224 15.012 16.516 808 HG22 VAL 103 HG22 VAL 103 27.194 16.377 16.950 809 HG23 VAL 103 HG23 VAL 103 27.061 14.856 17.831 810 H LYS 104 H LYS 104 28.416 19.058 20.631 811 HA LYS 104 HA LYS 104 26.501 20.311 18.797 812 HB2 LYS 104 HB2 LYS 104 25.978 21.896 20.631 813 HB3 LYS 104 HB3 LYS 104 25.596 20.228 21.013 814 HG2 LYS 104 HG2 LYS 104 28.166 21.483 21.915 815 HG3 LYS 104 HG3 LYS 104 26.671 21.686 22.825 816 HD2 LYS 104 HD2 LYS 104 26.486 19.218 22.989 817 HD3 LYS 104 HD3 LYS 104 28.041 19.076 22.164 818 HE2 LYS 104 HE2 LYS 104 29.119 20.322 23.970 819 HE3 LYS 104 HE3 LYS 104 27.568 20.492 24.790 820 HZ1 LYS 104 HZ1 LYS 104 28.760 18.711 25.796 821 HZ2 LYS 104 HZ2 LYS 104 29.071 17.978 24.304 822 HZ3 LYS 104 HZ3 LYS 104 27.485 18.020 24.908 823 HA PRO 105 HA PRO 105 29.885 23.167 17.967 824 HB2 PRO 105 HB2 PRO 105 30.226 22.611 15.377 825 HB3 PRO 105 HB3 PRO 105 30.885 21.545 16.623 826 HG2 PRO 105 HG2 PRO 105 28.627 21.098 14.791 827 HG3 PRO 105 HG3 PRO 105 29.593 19.917 15.691 828 HD2 PRO 105 HD2 PRO 105 27.013 21.083 16.384 829 HD3 PRO 105 HD3 PRO 105 27.874 19.737 17.159 830 H THR 106 H THR 106 29.851 24.473 15.543 831 HA THR 106 HA THR 106 27.060 25.328 15.123 832 HB THR 106 HB THR 106 28.331 27.085 16.344 833 HG1 THR 106 HG1 THR 106 27.444 27.561 13.694 834 HG21 THR 106 HG21 THR 106 30.563 26.611 15.468 835 HG22 THR 106 HG22 THR 106 30.127 28.302 15.209 836 HG23 THR 106 HG23 THR 106 30.058 27.156 13.868 837 H ASP 107 H ASP 107 29.171 23.478 13.881 838 HA ASP 107 HA ASP 107 28.869 24.369 11.109 839 HB2 ASP 107 HB2 ASP 107 31.073 25.119 11.779 840 HB3 ASP 107 HB3 ASP 107 31.453 23.534 12.443 841 H VAL 108 H VAL 108 29.455 22.533 9.565 842 HA VAL 108 HA VAL 108 28.239 20.107 10.685 843 HB VAL 108 HB VAL 108 27.558 19.569 8.366 844 HG11 VAL 108 HG11 VAL 108 25.805 21.271 8.197 845 HG12 VAL 108 HG12 VAL 108 26.675 22.280 9.353 846 HG13 VAL 108 HG13 VAL 108 26.018 20.722 9.859 847 HG21 VAL 108 HG21 VAL 108 27.711 21.295 6.631 848 HG22 VAL 108 HG22 VAL 108 29.312 20.773 7.165 849 HG23 VAL 108 HG23 VAL 108 28.652 22.310 7.726 850 H GLU 109 H GLU 109 31.170 21.242 9.252 851 HA GLU 109 HA GLU 109 31.884 18.541 8.345 852 HB2 GLU 109 HB2 GLU 109 33.750 19.586 7.176 853 HB3 GLU 109 HB3 GLU 109 32.236 20.368 6.743 854 HG2 GLU 109 HG2 GLU 109 32.733 22.234 8.168 855 HG3 GLU 109 HG3 GLU 109 34.177 21.429 8.780 856 H VAL 110 H VAL 110 31.827 19.736 11.171 857 HA VAL 110 HA VAL 110 34.480 19.771 12.131 858 HB VAL 110 HB VAL 110 33.451 19.423 14.381 859 HG11 VAL 110 HG11 VAL 110 33.730 21.657 13.456 860 HG12 VAL 110 HG12 VAL 110 32.255 21.555 14.418 861 HG13 VAL 110 HG13 VAL 110 32.164 21.534 12.656 862 HG21 VAL 110 HG21 VAL 110 31.591 17.997 13.747 863 HG22 VAL 110 HG22 VAL 110 30.883 19.309 12.803 864 HG23 VAL 110 HG23 VAL 110 31.000 19.449 14.557 865 H LEU 111 H LEU 111 32.423 17.176 11.237 866 HA LEU 111 HA LEU 111 33.925 15.227 12.792 867 HB2 LEU 111 HB2 LEU 111 31.391 15.194 11.266 868 HB3 LEU 111 HB3 LEU 111 32.306 13.701 11.272 869 HG LEU 111 HG LEU 111 30.624 13.677 13.021 870 HD11 LEU 111 HD11 LEU 111 32.716 12.497 13.430 871 HD12 LEU 111 HD12 LEU 111 32.052 13.144 14.930 872 HD13 LEU 111 HD13 LEU 111 33.409 13.952 14.145 873 HD21 LEU 111 HD21 LEU 111 30.713 15.219 14.907 874 HD22 LEU 111 HD22 LEU 111 30.431 16.083 13.394 875 HD23 LEU 111 HD23 LEU 111 32.032 16.097 14.136 876 H ASP 112 H ASP 112 34.219 13.091 11.325 877 HA ASP 112 HA ASP 112 36.372 13.829 9.571 878 HB2 ASP 112 HB2 ASP 112 36.800 11.425 9.419 879 HB3 ASP 112 HB3 ASP 112 36.590 11.917 11.095 880 H GLU 113 H GLU 113 36.645 12.751 7.444 881 HA GLU 113 HA GLU 113 34.084 12.596 6.000 882 HB2 GLU 113 HB2 GLU 113 35.273 13.199 3.987 883 HB3 GLU 113 HB3 GLU 113 35.640 14.378 5.234 884 HG2 GLU 113 HG2 GLU 113 37.458 12.067 4.654 885 HG3 GLU 113 HG3 GLU 113 37.545 13.575 3.750 886 H GLN 114 H GLN 114 35.800 10.572 7.555 887 HA GLN 114 HA GLN 114 36.775 8.678 5.689 888 HB2 GLN 114 HB2 GLN 114 36.126 8.606 8.610 889 HB3 GLN 114 HB3 GLN 114 36.401 7.095 7.758 890 HG2 GLN 114 HG2 GLN 114 38.430 7.825 8.833 891 HG3 GLN 114 HG3 GLN 114 38.618 7.881 7.083 892 HE21 GLN 114 HE21 GLN 114 38.779 9.863 6.061 893 HE22 GLN 114 HE22 GLN 114 39.107 11.328 6.920 894 H LYS 115 H LYS 115 35.543 7.743 4.244 895 HA LYS 115 HA LYS 115 32.750 7.309 4.596 896 HB2 LYS 115 HB2 LYS 115 32.764 6.269 2.422 897 HB3 LYS 115 HB3 LYS 115 33.729 7.733 2.370 898 HG2 LYS 115 HG2 LYS 115 34.936 4.999 2.694 899 HG3 LYS 115 HG3 LYS 115 34.617 5.722 1.118 900 HD2 LYS 115 HD2 LYS 115 36.013 7.695 1.926 901 HD3 LYS 115 HD3 LYS 115 36.517 6.652 3.255 902 HE2 LYS 115 HE2 LYS 115 38.143 6.588 1.454 903 HE3 LYS 115 HE3 LYS 115 37.372 5.016 1.656 904 HZ1 LYS 115 HZ1 LYS 115 36.633 7.031 -0.402 905 HZ2 LYS 115 HZ2 LYS 115 35.961 5.485 -0.231 906 HZ3 LYS 115 HZ3 LYS 115 37.586 5.655 -0.680 907 H GLY 116 H GLY 116 35.221 5.755 5.999 908 HA2 GLY 116 HA2 GLY 116 34.334 3.033 5.706 909 HA3 GLY 116 HA3 GLY 116 35.534 3.626 6.851 910 H LYS 117 H LYS 117 32.065 3.913 6.207 911 HA LYS 117 HA LYS 117 31.566 3.834 9.106 912 HB2 LYS 117 HB2 LYS 117 29.868 4.902 6.839 913 HB3 LYS 117 HB3 LYS 117 29.340 4.813 8.514 914 HG2 LYS 117 HG2 LYS 117 31.765 6.357 7.628 915 HG3 LYS 117 HG3 LYS 117 30.151 7.061 7.748 916 HD2 LYS 117 HD2 LYS 117 30.071 6.498 10.121 917 HD3 LYS 117 HD3 LYS 117 31.667 5.755 10.009 918 HE2 LYS 117 HE2 LYS 117 31.126 8.646 9.359 919 HE3 LYS 117 HE3 LYS 117 31.625 8.085 10.953 920 HZ1 LYS 117 HZ1 LYS 117 33.170 7.712 8.441 921 HZ2 LYS 117 HZ2 LYS 117 33.651 7.219 9.993 922 HZ3 LYS 117 HZ3 LYS 117 33.505 8.870 9.636 923 H ASP 118 H ASP 118 29.176 2.931 9.433 924 HA ASP 118 HA ASP 118 29.133 0.300 8.126 925 HB2 ASP 118 HB2 ASP 118 27.931 1.190 10.765 926 HB3 ASP 118 HB3 ASP 118 27.799 -0.429 10.088 927 H LYS 119 H LYS 119 26.711 -0.567 8.332 928 HA LYS 119 HA LYS 119 25.009 1.279 6.920 929 HB2 LYS 119 HB2 LYS 119 24.602 -1.555 7.885 930 HB3 LYS 119 HB3 LYS 119 23.304 -0.617 7.161 931 HG2 LYS 119 HG2 LYS 119 24.187 -1.953 5.439 932 HG3 LYS 119 HG3 LYS 119 24.799 -0.328 5.149 933 HD2 LYS 119 HD2 LYS 119 26.918 -0.984 6.266 934 HD3 LYS 119 HD3 LYS 119 26.295 -2.628 6.398 935 HE2 LYS 119 HE2 LYS 119 26.750 -1.106 3.835 936 HE3 LYS 119 HE3 LYS 119 27.782 -2.385 4.473 937 HZ1 LYS 119 HZ1 LYS 119 26.310 -3.235 2.773 938 HZ2 LYS 119 HZ2 LYS 119 24.951 -2.693 3.619 939 HZ3 LYS 119 HZ3 LYS 119 25.917 -3.927 4.270 940 H GLN 120 H GLN 120 24.474 2.932 8.215 941 HA GLN 120 HA GLN 120 23.138 2.335 10.756 942 HB2 GLN 120 HB2 GLN 120 24.474 4.022 11.902 943 HB3 GLN 120 HB3 GLN 120 25.525 2.786 11.223 944 HG2 GLN 120 HG2 GLN 120 25.948 4.295 9.290 945 HG3 GLN 120 HG3 GLN 120 25.018 5.540 10.118 946 HE21 GLN 120 HE21 GLN 120 26.688 6.958 10.320 947 HE22 GLN 120 HE22 GLN 120 28.047 6.686 11.352 948 H LEU 121 H LEU 121 21.633 3.884 11.402 949 HA LEU 121 HA LEU 121 20.915 5.849 9.355 950 HB2 LEU 121 HB2 LEU 121 19.424 5.373 11.926 951 HB3 LEU 121 HB3 LEU 121 18.831 6.085 10.436 952 HG LEU 121 HG LEU 121 19.506 3.170 10.838 953 HD11 LEU 121 HD11 LEU 121 17.092 2.836 10.647 954 HD12 LEU 121 HD12 LEU 121 16.857 4.583 10.574 955 HD13 LEU 121 HD13 LEU 121 17.503 3.840 12.038 956 HD21 LEU 121 HD21 LEU 121 18.524 2.840 8.639 957 HD22 LEU 121 HD22 LEU 121 19.913 3.919 8.540 958 HD23 LEU 121 HD23 LEU 121 18.278 4.577 8.470 959 H THR 122 H THR 122 22.163 7.609 9.527 960 HA THR 122 HA THR 122 23.074 8.616 12.057 961 HB THR 122 HB THR 122 23.146 10.091 9.421 962 HG1 THR 122 HG1 THR 122 24.197 8.312 8.829 963 HG21 THR 122 HG21 THR 122 23.809 11.374 11.401 964 HG22 THR 122 HG22 THR 122 25.193 11.072 10.350 965 HG23 THR 122 HG23 THR 122 24.983 10.126 11.822 966 H LEU 123 H LEU 123 21.103 8.956 13.163 967 HA LEU 123 HA LEU 123 19.175 10.801 12.034 968 HB2 LEU 123 HB2 LEU 123 19.250 9.100 14.506 969 HB3 LEU 123 HB3 LEU 123 18.033 10.349 14.303 970 HG LEU 123 HG LEU 123 18.435 8.218 12.223 971 HD11 LEU 123 HD11 LEU 123 16.632 6.959 13.260 972 HD12 LEU 123 HD12 LEU 123 16.591 8.103 14.602 973 HD13 LEU 123 HD13 LEU 123 18.012 7.089 14.351 974 HD21 LEU 123 HD21 LEU 123 16.158 8.792 11.639 975 HD22 LEU 123 HD22 LEU 123 17.168 10.240 11.644 976 HD23 LEU 123 HD23 LEU 123 16.076 9.923 12.990 977 H ILE 124 H ILE 124 19.839 12.805 12.036 978 HA ILE 124 HA ILE 124 21.375 13.956 14.189 979 HB ILE 124 HB ILE 124 20.049 15.388 11.877 980 HG12 ILE 124 HG12 ILE 124 22.874 14.313 12.002 981 HG13 ILE 124 HG13 ILE 124 21.555 13.509 11.156 982 HG21 ILE 124 HG21 ILE 124 20.781 16.850 13.675 983 HG22 ILE 124 HG22 ILE 124 21.805 17.063 12.255 984 HG23 ILE 124 HG23 ILE 124 22.390 16.128 13.631 985 HD11 ILE 124 HD11 ILE 124 22.640 16.248 10.541 986 HD12 ILE 124 HD12 ILE 124 21.317 15.446 9.691 987 HD13 ILE 124 HD13 ILE 124 22.946 14.772 9.624 988 H THR 125 H THR 125 20.218 14.109 16.056 989 HA THR 125 HA THR 125 17.461 15.018 15.967 990 HB THR 125 HB THR 125 19.101 14.415 18.433 991 HG1 THR 125 HG1 THR 125 18.605 12.714 16.554 992 HG21 THR 125 HG21 THR 125 16.127 14.387 17.893 993 HG22 THR 125 HG22 THR 125 17.001 15.594 18.838 994 HG23 THR 125 HG23 THR 125 16.894 13.929 19.414 995 H CYS 126 H CYS 126 17.631 17.140 15.298 996 HA CYS 126 HA CYS 126 19.327 19.005 16.678 997 HB2 CYS 126 HB2 CYS 126 17.074 19.494 14.714 998 HB3 CYS 126 HB3 CYS 126 18.241 20.697 15.258 999 H ASP 127 H ASP 127 18.881 19.334 18.738 1000 HA ASP 127 HA ASP 127 16.088 19.823 19.541 1001 HB2 ASP 127 HB2 ASP 127 16.824 17.731 20.476 1002 HB3 ASP 127 HB3 ASP 127 18.343 18.439 21.008 1003 H ASP 128 H ASP 128 15.822 21.265 21.369 1004 HA ASP 128 HA ASP 128 16.032 23.308 22.332 1005 HB2 ASP 128 HB2 ASP 128 17.716 22.174 23.670 1006 HB3 ASP 128 HB3 ASP 128 18.936 22.481 22.444 1007 H TYR 129 H TYR 129 15.443 24.688 20.705 1008 HA TYR 129 HA TYR 129 17.454 26.443 19.746 1009 HB2 TYR 129 HB2 TYR 129 17.328 26.016 17.383 1010 HB3 TYR 129 HB3 TYR 129 17.774 24.521 18.192 1011 HD1 TYR 129 HD1 TYR 129 15.062 26.293 16.433 1012 HD2 TYR 129 HD2 TYR 129 16.360 22.587 18.073 1013 HE1 TYR 129 HE1 TYR 129 13.241 25.144 15.253 1014 HE2 TYR 129 HE2 TYR 129 14.531 21.427 16.903 1015 HH TYR 129 HH TYR 129 12.428 23.147 14.632 1016 H ASN 130 H ASN 130 16.511 28.060 18.174 1017 HA ASN 130 HA ASN 130 13.710 28.582 18.879 1018 HB2 ASN 130 HB2 ASN 130 15.421 30.335 19.440 1019 HB3 ASN 130 HB3 ASN 130 15.723 30.516 17.713 1020 HD21 ASN 130 HD21 ASN 130 13.622 31.211 20.325 1021 HD22 ASN 130 HD22 ASN 130 12.498 32.207 19.459 1022 H GLU 131 H GLU 131 12.182 28.722 17.333 1023 HA GLU 131 HA GLU 131 12.709 27.442 14.841 1024 HB2 GLU 131 HB2 GLU 131 10.191 28.926 15.568 1025 HB3 GLU 131 HB3 GLU 131 10.366 27.527 14.514 1026 HG2 GLU 131 HG2 GLU 131 10.348 26.065 16.222 1027 HG3 GLU 131 HG3 GLU 131 11.227 27.151 17.300 1028 H LYS 132 H LYS 132 12.252 30.741 15.869 1029 HA LYS 132 HA LYS 132 11.688 31.686 13.185 1030 HB2 LYS 132 HB2 LYS 132 10.678 32.472 15.486 1031 HB3 LYS 132 HB3 LYS 132 12.110 33.485 15.543 1032 HG2 LYS 132 HG2 LYS 132 10.023 33.504 13.372 1033 HG3 LYS 132 HG3 LYS 132 10.186 34.685 14.670 1034 HD2 LYS 132 HD2 LYS 132 12.340 35.378 13.813 1035 HD3 LYS 132 HD3 LYS 132 12.273 34.133 12.566 1036 HE2 LYS 132 HE2 LYS 132 11.671 36.277 11.621 1037 HE3 LYS 132 HE3 LYS 132 10.269 35.209 11.627 1038 HZ1 LYS 132 HZ1 LYS 132 9.446 36.336 13.594 1039 HZ2 LYS 132 HZ2 LYS 132 9.711 37.454 12.343 1040 HZ3 LYS 132 HZ3 LYS 132 10.813 37.342 13.624 1041 H THR 133 H THR 133 14.129 32.309 15.698 1042 HA THR 133 HA THR 133 15.493 34.211 14.055 1043 HB THR 133 HB THR 133 17.055 34.394 15.941 1044 HG1 THR 133 HG1 THR 133 16.846 33.034 17.711 1045 HG21 THR 133 HG21 THR 133 15.401 35.081 17.647 1046 HG22 THR 133 HG22 THR 133 14.139 34.250 16.736 1047 HG23 THR 133 HG23 THR 133 14.965 35.641 16.033 1048 H GLY 134 H GLY 134 15.609 30.856 14.216 1049 HA2 GLY 134 HA2 GLY 134 16.897 29.408 12.961 1050 HA3 GLY 134 HA3 GLY 134 17.856 30.780 12.420 1051 H VAL 135 H VAL 135 17.253 28.778 15.278 1052 HA VAL 135 HA VAL 135 20.116 29.018 15.944 1053 HB VAL 135 HB VAL 135 17.816 28.527 17.857 1054 HG11 VAL 135 HG11 VAL 135 19.494 28.823 19.616 1055 HG12 VAL 135 HG12 VAL 135 20.754 28.937 18.386 1056 HG13 VAL 135 HG13 VAL 135 19.849 27.436 18.588 1057 HG21 VAL 135 HG21 VAL 135 17.793 30.822 17.075 1058 HG22 VAL 135 HG22 VAL 135 19.506 30.994 17.457 1059 HG23 VAL 135 HG23 VAL 135 18.332 30.756 18.752 1060 H TRP 136 H TRP 136 21.202 27.108 16.487 1061 HA TRP 136 HA TRP 136 19.670 24.613 16.562 1062 HB2 TRP 136 HB2 TRP 136 22.184 24.421 15.019 1063 HB3 TRP 136 HB3 TRP 136 20.643 23.618 14.757 1064 HD1 TRP 136 HD1 TRP 136 18.824 24.937 13.227 1065 HE1 TRP 136 HE1 TRP 136 19.130 26.774 11.441 1066 HE3 TRP 136 HE3 TRP 136 23.579 26.417 14.391 1067 HZ2 TRP 136 HZ2 TRP 136 21.125 28.593 10.638 1068 HZ3 TRP 136 HZ3 TRP 136 24.612 28.211 13.064 1069 HH2 TRP 136 HH2 TRP 136 23.409 29.274 11.226 1070 H GLU 137 H GLU 137 20.225 24.774 18.835 1071 HA GLU 137 HA GLU 137 23.000 25.064 19.542 1072 HB2 GLU 137 HB2 GLU 137 20.519 24.683 21.208 1073 HB3 GLU 137 HB3 GLU 137 22.134 24.855 21.889 1074 HG2 GLU 137 HG2 GLU 137 20.740 26.879 20.157 1075 HG3 GLU 137 HG3 GLU 137 20.904 26.961 21.906 1076 H LYS 138 H LYS 138 20.666 22.616 20.745 1077 HA LYS 138 HA LYS 138 22.917 20.917 21.336 1078 HB2 LYS 138 HB2 LYS 138 19.967 20.367 21.673 1079 HB3 LYS 138 HB3 LYS 138 21.282 19.409 22.344 1080 HG2 LYS 138 HG2 LYS 138 20.641 22.267 23.019 1081 HG3 LYS 138 HG3 LYS 138 20.322 20.858 24.029 1082 HD2 LYS 138 HD2 LYS 138 22.726 20.423 24.175 1083 HD3 LYS 138 HD3 LYS 138 23.042 21.828 23.156 1084 HE2 LYS 138 HE2 LYS 138 21.693 21.880 25.855 1085 HE3 LYS 138 HE3 LYS 138 23.371 22.318 25.541 1086 HZ1 LYS 138 HZ1 LYS 138 21.010 23.694 24.354 1087 HZ2 LYS 138 HZ2 LYS 138 22.638 24.156 24.191 1088 HZ3 LYS 138 HZ3 LYS 138 21.878 24.245 25.702 1089 H ARG 139 H ARG 139 23.830 20.145 19.572 1090 HA ARG 139 HA ARG 139 22.237 18.893 17.485 1091 HB2 ARG 139 HB2 ARG 139 25.248 18.983 17.632 1092 HB3 ARG 139 HB3 ARG 139 24.238 18.791 16.207 1093 HG2 ARG 139 HG2 ARG 139 24.257 21.293 17.868 1094 HG3 ARG 139 HG3 ARG 139 25.343 21.035 16.503 1095 HD2 ARG 139 HD2 ARG 139 22.364 20.771 16.232 1096 HD3 ARG 139 HD3 ARG 139 23.176 22.330 16.081 1097 HE ARG 139 HE ARG 139 23.633 20.011 14.313 1098 HH11 ARG 139 HH11 ARG 139 23.697 23.457 14.934 1099 HH12 ARG 139 HH12 ARG 139 24.080 23.869 13.293 1100 HH21 ARG 139 HH21 ARG 139 24.182 20.546 12.160 1101 HH22 ARG 139 HH22 ARG 139 24.353 22.233 11.723 1102 H LYS 140 H LYS 140 21.418 17.254 18.926 1103 HA LYS 140 HA LYS 140 23.268 15.346 20.072 1104 HB2 LYS 140 HB2 LYS 140 21.229 15.933 21.289 1105 HB3 LYS 140 HB3 LYS 140 20.244 15.395 19.936 1106 HG2 LYS 140 HG2 LYS 140 21.878 13.218 20.616 1107 HG3 LYS 140 HG3 LYS 140 21.287 13.889 22.139 1108 HD2 LYS 140 HD2 LYS 140 18.995 13.942 20.854 1109 HD3 LYS 140 HD3 LYS 140 19.767 12.703 19.853 1110 HE2 LYS 140 HE2 LYS 140 20.007 11.239 21.671 1111 HE3 LYS 140 HE3 LYS 140 19.722 12.515 22.854 1112 HZ1 LYS 140 HZ1 LYS 140 17.425 12.658 22.065 1113 HZ2 LYS 140 HZ2 LYS 140 17.786 11.111 22.661 1114 HZ3 LYS 140 HZ3 LYS 140 17.709 11.377 20.992 1115 H ILE 141 H ILE 141 24.182 13.847 18.763 1116 HA ILE 141 HA ILE 141 22.733 13.034 16.416 1117 HB ILE 141 HB ILE 141 25.006 13.673 16.073 1118 HG12 ILE 141 HG12 ILE 141 25.946 11.561 15.185 1119 HG13 ILE 141 HG13 ILE 141 24.596 10.713 15.919 1120 HG21 ILE 141 HG21 ILE 141 25.779 11.570 18.086 1121 HG22 ILE 141 HG22 ILE 141 25.887 13.316 18.311 1122 HG23 ILE 141 HG23 ILE 141 26.898 12.518 17.106 1123 HD11 ILE 141 HD11 ILE 141 24.395 12.863 13.824 1124 HD12 ILE 141 HD12 ILE 141 23.042 12.002 14.558 1125 HD13 ILE 141 HD13 ILE 141 24.200 11.131 13.551 1126 H PHE 142 H PHE 142 21.724 11.232 16.248 1127 HA PHE 142 HA PHE 142 22.203 9.104 18.213 1128 HB2 PHE 142 HB2 PHE 142 20.058 9.839 18.747 1129 HB3 PHE 142 HB3 PHE 142 19.670 10.248 17.083 1130 HD1 PHE 142 HD1 PHE 142 20.998 6.945 18.087 1131 HD2 PHE 142 HD2 PHE 142 17.569 9.253 17.096 1132 HE1 PHE 142 HE1 PHE 142 19.688 4.879 17.833 1133 HE2 PHE 142 HE2 PHE 142 16.247 7.191 16.845 1134 HZ PHE 142 HZ PHE 142 17.310 5.001 17.206 1135 H VAL 143 H VAL 143 23.531 7.800 17.139 1136 HA VAL 143 HA VAL 143 22.911 7.101 14.362 1137 HB VAL 143 HB VAL 143 25.370 6.483 16.009 1138 HG11 VAL 143 HG11 VAL 143 24.805 5.984 13.091 1139 HG12 VAL 143 HG12 VAL 143 24.981 4.758 14.347 1140 HG13 VAL 143 HG13 VAL 143 26.362 5.755 13.886 1141 HG21 VAL 143 HG21 VAL 143 25.197 8.846 15.483 1142 HG22 VAL 143 HG22 VAL 143 24.939 8.464 13.779 1143 HG23 VAL 143 HG23 VAL 143 26.487 8.099 14.541 1144 H ALA 144 H ALA 144 21.595 5.459 14.132 1145 HA ALA 144 HA ALA 144 21.636 3.276 16.092 1146 HB1 ALA 144 HB1 ALA 144 19.469 4.356 15.629 1147 HB2 ALA 144 HB2 ALA 144 19.475 2.644 15.209 1148 HB3 ALA 144 HB3 ALA 144 19.602 3.863 13.941 1149 H THR 145 H THR 145 22.823 1.587 15.604 1150 HA THR 145 HA THR 145 23.576 1.046 12.840 1151 HB THR 145 HB THR 145 24.416 -0.435 15.341 1152 HG1 THR 145 HG1 THR 145 25.253 1.548 15.645 1153 HG21 THR 145 HG21 THR 145 25.659 -0.299 12.588 1154 HG22 THR 145 HG22 THR 145 24.785 -1.677 13.254 1155 HG23 THR 145 HG23 THR 145 26.314 -1.171 13.973 1156 H GLU 146 H GLU 146 22.977 -0.751 11.693 1157 HA GLU 146 HA GLU 146 20.467 -1.889 12.319 1158 HB2 GLU 146 HB2 GLU 146 21.442 -1.473 10.017 1159 HB3 GLU 146 HB3 GLU 146 22.426 -2.908 10.264 1160 HG2 GLU 146 HG2 GLU 146 20.561 -4.324 10.271 1161 HG3 GLU 146 HG3 GLU 146 19.438 -2.982 10.490 1162 H VAL 147 H VAL 147 19.919 -3.699 13.332 1163 HA VAL 147 HA VAL 147 22.085 -5.344 14.446 1164 HB VAL 147 HB VAL 147 19.252 -5.693 15.318 1165 HG11 VAL 147 HG11 VAL 147 21.879 -5.714 16.795 1166 HG12 VAL 147 HG12 VAL 147 20.965 -7.128 16.261 1167 HG13 VAL 147 HG13 VAL 147 20.302 -6.063 17.501 1168 HG21 VAL 147 HG21 VAL 147 19.471 -3.867 16.942 1169 HG22 VAL 147 HG22 VAL 147 19.458 -3.288 15.277 1170 HG23 VAL 147 HG23 VAL 147 20.977 -3.379 16.169 1171 H LYS 148 H LYS 148 21.614 -7.671 14.661 1172 HA LYS 148 HA LYS 148 20.658 -8.680 12.105 1173 HB2 LYS 148 HB2 LYS 148 21.817 -10.789 12.818 1174 HB3 LYS 148 HB3 LYS 148 22.871 -9.391 12.666 1175 HG2 LYS 148 HG2 LYS 148 22.634 -9.092 15.157 1176 HG3 LYS 148 HG3 LYS 148 21.851 -10.672 15.182 1177 HD2 LYS 148 HD2 LYS 148 23.847 -11.685 14.208 1178 HD3 LYS 148 HD3 LYS 148 24.628 -10.104 14.143 1179 HE2 LYS 148 HE2 LYS 148 24.371 -9.967 16.626 1180 HE3 LYS 148 HE3 LYS 148 23.797 -11.633 16.606 1181 HZ1 LYS 148 HZ1 LYS 148 26.134 -11.570 17.122 1182 HZ2 LYS 148 HZ2 LYS 148 26.468 -10.684 15.716 1183 HZ3 LYS 148 HZ3 LYS 148 25.920 -12.285 15.599 1184 H6 2W7 201 H6 2W7 201 16.893 21.990 11.994 1185 H7 2W7 201 H7 2W7 201 17.683 24.181 11.161 1186 H8 2W7 201 H8 2W7 201 19.895 24.365 10.055 1187 H9 2W7 201 H9 2W7 201 21.308 22.352 9.764 1188 H3 2W7 201 H3 2W7 201 22.405 20.876 11.049 1189 H122 2W7 201 H122 2W7 201 22.459 18.494 9.280 1190 H121 2W7 201 H121 2W7 201 23.525 19.895 9.080 1191 H4 2W7 201 H4 2W7 201 24.126 16.999 9.621 1192 HZ12 2W7 201 HZ12 2W7 201 26.342 15.801 9.441 1193 HZ11 2W7 201 HZ11 2W7 201 25.191 14.907 10.453 1194 HY1 2W7 201 HY1 2W7 201 27.484 14.046 10.738 1195 HX22 2W7 201 HX22 2W7 201 29.202 15.474 11.757 1196 HX21 2W7 201 HX21 2W7 201 28.670 16.127 10.190 1197 HY3 2W7 201 HY3 2W7 201 28.800 17.926 11.907 1198 HZ21 2W7 201 HZ21 2W7 201 27.098 18.068 10.125 1199 HZ22 2W7 201 HZ22 2W7 201 26.514 18.791 11.635 1200 HX31 2W7 201 HX31 2W7 201 28.374 16.504 13.872 1201 HX32 2W7 201 HX32 2W7 201 27.250 17.874 13.824 1202 HY2 2W7 201 HY2 2W7 201 26.056 15.777 14.361 1203 HZ32 2W7 201 HZ32 2W7 201 24.893 17.525 13.070 1204 HZ31 2W7 201 HZ31 2W7 201 24.358 15.906 12.582 1205 HX12 2W7 201 HX12 2W7 201 27.603 14.248 13.207 1206 HX11 2W7 201 HX11 2W7 201 25.934 13.993 12.661 Start of MODEL 3 1 HA MET 1 HA MET 1 2.071 -1.930 0.541 2 HB2 MET 1 HB2 MET 1 2.995 -0.074 -0.773 3 HB3 MET 1 HB3 MET 1 3.480 0.026 0.913 4 HG2 MET 1 HG2 MET 1 5.664 -0.938 0.309 5 HG3 MET 1 HG3 MET 1 5.171 -0.934 -1.383 6 HE1 MET 1 HE1 MET 1 6.051 1.279 1.754 7 HE2 MET 1 HE2 MET 1 4.388 1.741 1.394 8 HE3 MET 1 HE3 MET 1 5.698 2.897 1.145 9 H GLN 2 H GLN 2 2.385 -1.248 -2.109 10 HA GLN 2 HA GLN 2 2.589 -3.913 -3.270 11 HB2 GLN 2 HB2 GLN 2 1.463 -1.326 -4.353 12 HB3 GLN 2 HB3 GLN 2 1.468 -2.849 -5.229 13 HG2 GLN 2 HG2 GLN 2 0.088 -2.384 -2.595 14 HG3 GLN 2 HG3 GLN 2 -0.697 -2.334 -4.171 15 HE21 GLN 2 HE21 GLN 2 -2.085 -4.030 -3.697 16 HE22 GLN 2 HE22 GLN 2 -1.539 -5.668 -3.577 17 H ALA 3 H ALA 3 4.990 -2.295 -2.616 18 HA ALA 3 HA ALA 3 6.352 -2.572 -5.138 19 HB1 ALA 3 HB1 ALA 3 6.249 0.142 -3.825 20 HB2 ALA 3 HB2 ALA 3 5.380 -0.303 -5.293 21 HB3 ALA 3 HB3 ALA 3 7.144 -0.291 -5.282 22 H LYS 4 H LYS 4 8.572 -2.744 -4.897 23 HA LYS 4 HA LYS 4 9.534 -3.627 -2.408 24 HB2 LYS 4 HB2 LYS 4 10.904 -2.852 -4.975 25 HB3 LYS 4 HB3 LYS 4 11.818 -3.366 -3.565 26 HG2 LYS 4 HG2 LYS 4 9.717 -4.990 -4.985 27 HG3 LYS 4 HG3 LYS 4 11.464 -5.198 -5.131 28 HD2 LYS 4 HD2 LYS 4 11.534 -5.602 -2.660 29 HD3 LYS 4 HD3 LYS 4 9.770 -5.603 -2.672 30 HE2 LYS 4 HE2 LYS 4 9.807 -7.466 -4.280 31 HE3 LYS 4 HE3 LYS 4 11.568 -7.475 -4.204 32 HZ1 LYS 4 HZ1 LYS 4 11.293 -7.851 -1.744 33 HZ2 LYS 4 HZ2 LYS 4 10.846 -9.139 -2.745 34 HZ3 LYS 4 HZ3 LYS 4 9.650 -8.157 -2.051 35 HA PRO 5 HA PRO 5 10.675 -0.156 -0.013 36 HB2 PRO 5 HB2 PRO 5 13.427 -1.277 0.071 37 HB3 PRO 5 HB3 PRO 5 12.371 -0.773 1.394 38 HG2 PRO 5 HG2 PRO 5 12.756 -3.358 0.828 39 HG3 PRO 5 HG3 PRO 5 11.188 -2.750 1.384 40 HD2 PRO 5 HD2 PRO 5 12.024 -3.609 -1.335 41 HD3 PRO 5 HD3 PRO 5 10.428 -3.678 -0.566 42 H GLN 6 H GLN 6 10.686 1.603 -1.225 43 HA GLN 6 HA GLN 6 13.241 2.508 -2.305 44 HB2 GLN 6 HB2 GLN 6 10.615 2.471 -3.793 45 HB3 GLN 6 HB3 GLN 6 11.905 3.586 -4.216 46 HG2 GLN 6 HG2 GLN 6 12.195 0.592 -4.167 47 HG3 GLN 6 HG3 GLN 6 11.820 1.536 -5.608 48 HE21 GLN 6 HE21 GLN 6 14.248 0.750 -3.241 49 HE22 GLN 6 HE22 GLN 6 15.595 1.392 -4.122 50 H ILE 7 H ILE 7 13.040 4.947 -2.789 51 HA ILE 7 HA ILE 7 11.344 6.160 -0.706 52 HB ILE 7 HB ILE 7 14.182 6.899 -1.443 53 HG12 ILE 7 HG12 ILE 7 13.012 5.913 1.170 54 HG13 ILE 7 HG13 ILE 7 13.911 4.912 0.032 55 HG21 ILE 7 HG21 ILE 7 12.916 8.915 -1.027 56 HG22 ILE 7 HG22 ILE 7 13.997 8.601 0.331 57 HG23 ILE 7 HG23 ILE 7 12.276 8.240 0.472 58 HD11 ILE 7 HD11 ILE 7 15.297 5.618 1.888 59 HD12 ILE 7 HD12 ILE 7 14.979 7.310 1.497 60 HD13 ILE 7 HD13 ILE 7 15.880 6.295 0.368 61 HA PRO 8 HA PRO 8 10.193 8.585 -4.359 62 HB2 PRO 8 HB2 PRO 8 7.696 9.034 -2.975 63 HB3 PRO 8 HB3 PRO 8 7.970 8.132 -4.465 64 HG2 PRO 8 HG2 PRO 8 7.200 6.981 -2.098 65 HG3 PRO 8 HG3 PRO 8 8.075 6.126 -3.378 66 HD2 PRO 8 HD2 PRO 8 9.107 7.303 -0.834 67 HD3 PRO 8 HD3 PRO 8 9.565 5.791 -1.648 68 H LYS 9 H LYS 9 10.201 10.827 -4.500 69 HA LYS 9 HA LYS 9 10.858 12.207 -2.034 70 HB2 LYS 9 HB2 LYS 9 11.401 14.097 -3.621 71 HB3 LYS 9 HB3 LYS 9 12.379 12.650 -3.776 72 HG2 LYS 9 HG2 LYS 9 10.855 11.980 -5.675 73 HG3 LYS 9 HG3 LYS 9 10.186 13.612 -5.589 74 HD2 LYS 9 HD2 LYS 9 12.384 14.559 -5.981 75 HD3 LYS 9 HD3 LYS 9 13.104 12.949 -5.976 76 HE2 LYS 9 HE2 LYS 9 11.620 12.398 -7.929 77 HE3 LYS 9 HE3 LYS 9 11.187 14.106 -7.989 78 HZ1 LYS 9 HZ1 LYS 9 13.544 14.632 -8.282 79 HZ2 LYS 9 HZ2 LYS 9 12.971 13.640 -9.527 80 HZ3 LYS 9 HZ3 LYS 9 13.922 12.979 -8.289 81 H ASP 10 H ASP 10 8.167 11.365 -2.405 82 HA ASP 10 HA ASP 10 6.702 13.868 -2.800 83 HB2 ASP 10 HB2 ASP 10 5.823 11.876 -3.955 84 HB3 ASP 10 HB3 ASP 10 5.663 11.052 -2.404 85 H LYS 11 H LYS 11 5.479 14.792 -1.162 86 HA LYS 11 HA LYS 11 6.473 14.118 1.492 87 HB2 LYS 11 HB2 LYS 11 5.013 16.577 0.514 88 HB3 LYS 11 HB3 LYS 11 5.691 16.366 2.116 89 HG2 LYS 11 HG2 LYS 11 7.249 17.685 0.984 90 HG3 LYS 11 HG3 LYS 11 7.935 16.061 0.949 91 HD2 LYS 11 HD2 LYS 11 7.047 15.767 -1.334 92 HD3 LYS 11 HD3 LYS 11 6.451 17.428 -1.294 93 HE2 LYS 11 HE2 LYS 11 8.679 18.289 -1.120 94 HE3 LYS 11 HE3 LYS 11 9.342 16.668 -0.913 95 HZ1 LYS 11 HZ1 LYS 11 8.648 16.127 -3.155 96 HZ2 LYS 11 HZ2 LYS 11 9.657 17.491 -3.164 97 HZ3 LYS 11 HZ3 LYS 11 7.984 17.676 -3.357 98 H SER 12 H SER 12 3.941 13.080 -0.177 99 HA SER 12 HA SER 12 2.060 13.351 2.061 100 HB2 SER 12 HB2 SER 12 1.509 12.839 -0.868 101 HB3 SER 12 HB3 SER 12 0.287 12.913 0.397 102 HG SER 12 HG SER 12 1.265 15.096 0.818 103 H LYS 13 H LYS 13 3.279 11.122 -0.412 104 HA LYS 13 HA LYS 13 2.107 8.823 0.739 105 HB2 LYS 13 HB2 LYS 13 2.453 8.601 -1.500 106 HB3 LYS 13 HB3 LYS 13 3.895 9.600 -1.485 107 HG2 LYS 13 HG2 LYS 13 4.556 7.476 -2.076 108 HG3 LYS 13 HG3 LYS 13 5.074 7.693 -0.410 109 HD2 LYS 13 HD2 LYS 13 3.121 6.455 0.370 110 HD3 LYS 13 HD3 LYS 13 2.591 6.231 -1.297 111 HE2 LYS 13 HE2 LYS 13 5.242 5.257 -0.258 112 HE3 LYS 13 HE3 LYS 13 3.783 4.267 -0.257 113 HZ1 LYS 13 HZ1 LYS 13 3.700 4.289 -2.595 114 HZ2 LYS 13 HZ2 LYS 13 5.325 3.980 -2.208 115 HZ3 LYS 13 HZ3 LYS 13 4.854 5.526 -2.721 116 H VAL 14 H VAL 14 2.868 7.620 2.353 117 HA VAL 14 HA VAL 14 5.340 8.388 3.656 118 HB VAL 14 HB VAL 14 3.347 6.250 4.425 119 HG11 VAL 14 HG11 VAL 14 4.371 6.336 6.616 120 HG12 VAL 14 HG12 VAL 14 5.504 7.566 6.060 121 HG13 VAL 14 HG13 VAL 14 5.579 5.933 5.397 122 HG21 VAL 14 HG21 VAL 14 2.528 7.894 6.063 123 HG22 VAL 14 HG22 VAL 14 2.296 8.441 4.403 124 HG23 VAL 14 HG23 VAL 14 3.612 9.102 5.373 125 H ALA 15 H ALA 15 7.209 7.534 3.084 126 HA ALA 15 HA ALA 15 7.342 5.038 1.624 127 HB1 ALA 15 HB1 ALA 15 9.563 6.872 2.534 128 HB2 ALA 15 HB2 ALA 15 8.759 6.924 0.964 129 HB3 ALA 15 HB3 ALA 15 9.725 5.519 1.412 130 H GLY 16 H GLY 16 8.145 6.259 4.819 131 HA2 GLY 16 HA2 GLY 16 8.610 3.519 5.707 132 HA3 GLY 16 HA3 GLY 16 9.927 4.662 5.908 133 H TYR 17 H TYR 17 9.001 3.430 8.084 134 HA TYR 17 HA TYR 17 7.631 5.577 9.550 135 HB2 TYR 17 HB2 TYR 17 6.524 3.015 8.958 136 HB3 TYR 17 HB3 TYR 17 6.901 3.048 10.675 137 HD1 TYR 17 HD1 TYR 17 4.923 4.640 8.006 138 HD2 TYR 17 HD2 TYR 17 5.633 4.388 12.194 139 HE1 TYR 17 HE1 TYR 17 2.836 5.871 8.428 140 HE2 TYR 17 HE2 TYR 17 3.552 5.624 12.627 141 HH TYR 17 HH TYR 17 2.038 7.139 11.518 142 H ILE 18 H ILE 18 8.562 5.997 11.500 143 HA ILE 18 HA ILE 18 10.731 4.201 12.329 144 HB ILE 18 HB ILE 18 11.452 6.490 11.942 145 HG12 ILE 18 HG12 ILE 18 12.431 6.979 14.193 146 HG13 ILE 18 HG13 ILE 18 11.408 5.710 14.860 147 HG21 ILE 18 HG21 ILE 18 9.379 7.671 12.324 148 HG22 ILE 18 HG22 ILE 18 10.657 8.348 13.335 149 HG23 ILE 18 HG23 ILE 18 9.443 7.280 14.044 150 HD11 ILE 18 HD11 ILE 18 13.531 5.339 12.758 151 HD12 ILE 18 HD12 ILE 18 12.512 4.068 13.436 152 HD13 ILE 18 HD13 ILE 18 13.668 4.915 14.464 153 H GLU 19 H GLU 19 10.507 3.007 14.094 154 HA GLU 19 HA GLU 19 8.322 3.663 15.958 155 HB2 GLU 19 HB2 GLU 19 9.008 0.901 14.937 156 HB3 GLU 19 HB3 GLU 19 7.747 1.289 16.093 157 HG2 GLU 19 HG2 GLU 19 6.542 2.527 14.382 158 HG3 GLU 19 HG3 GLU 19 7.826 2.192 13.223 159 H ILE 20 H ILE 20 9.312 4.189 17.774 160 HA ILE 20 HA ILE 20 11.280 2.289 18.880 161 HB ILE 20 HB ILE 20 11.120 5.255 19.468 162 HG12 ILE 20 HG12 ILE 20 13.184 3.704 17.883 163 HG13 ILE 20 HG13 ILE 20 11.956 4.754 17.186 164 HG21 ILE 20 HG21 ILE 20 13.101 3.156 20.350 165 HG22 ILE 20 HG22 ILE 20 11.896 3.945 21.367 166 HG23 ILE 20 HG23 ILE 20 13.221 4.884 20.684 167 HD11 ILE 20 HD11 ILE 20 14.147 5.629 19.050 168 HD12 ILE 20 HD12 ILE 20 12.942 6.670 18.289 169 HD13 ILE 20 HD13 ILE 20 14.136 5.831 17.298 170 HA PRO 21 HA PRO 21 7.566 1.629 21.287 171 HB2 PRO 21 HB2 PRO 21 8.705 -0.321 22.898 172 HB3 PRO 21 HB3 PRO 21 7.929 -0.604 21.338 173 HG2 PRO 21 HG2 PRO 21 10.822 -0.380 22.002 174 HG3 PRO 21 HG3 PRO 21 10.017 -1.416 20.813 175 HD2 PRO 21 HD2 PRO 21 11.373 0.810 20.113 176 HD3 PRO 21 HD3 PRO 21 9.940 0.253 19.226 177 H ASP 22 H ASP 22 10.729 1.888 22.923 178 HA ASP 22 HA ASP 22 9.482 2.478 25.436 179 HB2 ASP 22 HB2 ASP 22 11.911 3.050 26.101 180 HB3 ASP 22 HB3 ASP 22 11.502 1.387 25.758 181 H ALA 23 H ALA 23 10.160 4.358 22.731 182 HA ALA 23 HA ALA 23 10.054 6.787 24.399 183 HB1 ALA 23 HB1 ALA 23 10.982 6.545 21.543 184 HB2 ALA 23 HB2 ALA 23 12.027 6.682 22.958 185 HB3 ALA 23 HB3 ALA 23 10.960 8.019 22.514 186 H ASP 24 H ASP 24 8.077 4.792 22.809 187 HA ASP 24 HA ASP 24 5.968 4.917 21.969 188 HB2 ASP 24 HB2 ASP 24 6.089 7.653 23.253 189 HB3 ASP 24 HB3 ASP 24 4.628 6.978 22.542 190 H ILE 25 H ILE 25 8.266 5.767 20.349 191 HA ILE 25 HA ILE 25 7.194 7.915 18.691 192 HB ILE 25 HB ILE 25 9.854 6.479 18.624 193 HG12 ILE 25 HG12 ILE 25 9.134 9.317 19.389 194 HG13 ILE 25 HG13 ILE 25 9.522 8.027 20.522 195 HG21 ILE 25 HG21 ILE 25 9.282 7.105 16.370 196 HG22 ILE 25 HG22 ILE 25 10.525 8.203 16.971 197 HG23 ILE 25 HG23 ILE 25 8.844 8.733 16.891 198 HD11 ILE 25 HD11 ILE 25 11.772 7.888 19.587 199 HD12 ILE 25 HD12 ILE 25 11.413 9.505 20.195 200 HD13 ILE 25 HD13 ILE 25 11.379 9.187 18.460 201 H LYS 26 H LYS 26 5.626 7.120 17.373 202 HA LYS 26 HA LYS 26 6.582 5.200 15.384 203 HB2 LYS 26 HB2 LYS 26 3.884 5.060 16.739 204 HB3 LYS 26 HB3 LYS 26 4.288 4.188 15.265 205 HG2 LYS 26 HG2 LYS 26 6.309 3.364 16.777 206 HG3 LYS 26 HG3 LYS 26 5.142 3.706 18.055 207 HD2 LYS 26 HD2 LYS 26 3.544 2.215 17.083 208 HD3 LYS 26 HD3 LYS 26 4.552 1.993 15.649 209 HE2 LYS 26 HE2 LYS 26 6.327 1.098 17.244 210 HE3 LYS 26 HE3 LYS 26 5.040 1.022 18.449 211 HZ1 LYS 26 HZ1 LYS 26 4.936 -0.308 15.797 212 HZ2 LYS 26 HZ2 LYS 26 3.816 -0.475 17.063 213 HZ3 LYS 26 HZ3 LYS 26 5.390 -1.083 17.237 214 H GLU 27 H GLU 27 6.988 7.005 14.137 215 HA GLU 27 HA GLU 27 4.599 8.408 13.134 216 HB2 GLU 27 HB2 GLU 27 7.310 9.612 13.735 217 HB3 GLU 27 HB3 GLU 27 5.990 10.452 12.934 218 HG2 GLU 27 HG2 GLU 27 5.908 9.359 15.739 219 HG3 GLU 27 HG3 GLU 27 6.192 11.043 15.304 220 HA PRO 28 HA PRO 28 6.069 7.361 9.080 221 HB2 PRO 28 HB2 PRO 28 5.174 9.533 7.687 222 HB3 PRO 28 HB3 PRO 28 4.126 8.207 8.204 223 HG2 PRO 28 HG2 PRO 28 4.569 10.881 9.483 224 HG3 PRO 28 HG3 PRO 28 3.049 10.007 9.215 225 HD2 PRO 28 HD2 PRO 28 4.257 10.016 11.613 226 HD3 PRO 28 HD3 PRO 28 3.404 8.582 11.007 227 H VAL 29 H VAL 29 7.851 7.712 7.837 228 HA VAL 29 HA VAL 29 9.554 9.985 8.553 229 HB VAL 29 HB VAL 29 10.175 7.554 6.861 230 HG11 VAL 29 HG11 VAL 29 11.988 9.772 7.803 231 HG12 VAL 29 HG12 VAL 29 11.487 9.463 6.140 232 HG13 VAL 29 HG13 VAL 29 12.512 8.301 6.982 233 HG21 VAL 29 HG21 VAL 29 11.600 6.883 8.750 234 HG22 VAL 29 HG22 VAL 29 9.898 6.981 9.202 235 HG23 VAL 29 HG23 VAL 29 11.009 8.269 9.665 236 H TYR 30 H TYR 30 9.939 11.605 7.163 237 HA TYR 30 HA TYR 30 8.238 11.653 4.803 238 HB2 TYR 30 HB2 TYR 30 9.766 13.896 6.137 239 HB3 TYR 30 HB3 TYR 30 8.619 14.076 4.810 240 HD1 TYR 30 HD1 TYR 30 6.435 12.332 5.570 241 HD2 TYR 30 HD2 TYR 30 8.793 14.900 8.009 242 HE1 TYR 30 HE1 TYR 30 4.594 12.470 7.187 243 HE2 TYR 30 HE2 TYR 30 6.955 15.044 9.639 244 HH TYR 30 HH TYR 30 4.263 12.960 9.554 245 HA PRO 31 HA PRO 31 11.988 10.742 2.573 246 HB2 PRO 31 HB2 PRO 31 10.789 9.737 0.401 247 HB3 PRO 31 HB3 PRO 31 10.850 8.843 1.924 248 HG2 PRO 31 HG2 PRO 31 8.598 10.406 0.734 249 HG3 PRO 31 HG3 PRO 31 8.559 8.855 1.593 250 HD2 PRO 31 HD2 PRO 31 7.956 11.300 2.730 251 HD3 PRO 31 HD3 PRO 31 8.466 9.862 3.639 252 H GLY 32 H GLY 32 13.153 11.908 1.161 253 HA2 GLY 32 HA2 GLY 32 12.642 13.056 -1.169 254 HA3 GLY 32 HA3 GLY 32 11.903 14.223 -0.077 255 HA PRO 33 HA PRO 33 16.426 15.255 -0.409 256 HB2 PRO 33 HB2 PRO 33 16.180 17.759 -1.362 257 HB3 PRO 33 HB3 PRO 33 16.157 16.350 -2.432 258 HG2 PRO 33 HG2 PRO 33 13.871 17.970 -1.381 259 HG3 PRO 33 HG3 PRO 33 14.131 17.327 -3.014 260 HD2 PRO 33 HD2 PRO 33 12.506 16.144 -1.153 261 HD3 PRO 33 HD3 PRO 33 13.320 15.256 -2.455 262 H ALA 34 H ALA 34 17.550 16.464 1.097 263 HA ALA 34 HA ALA 34 16.217 17.267 3.442 264 HB1 ALA 34 HB1 ALA 34 18.552 16.515 3.418 265 HB2 ALA 34 HB2 ALA 34 18.380 18.092 4.185 266 HB3 ALA 34 HB3 ALA 34 19.010 17.975 2.542 267 H THR 35 H THR 35 14.739 18.849 3.207 268 HA THR 35 HA THR 35 15.714 21.481 2.360 269 HB THR 35 HB THR 35 13.298 21.772 1.416 270 HG1 THR 35 HG1 THR 35 13.636 18.931 1.342 271 HG21 THR 35 HG21 THR 35 15.328 21.837 0.049 272 HG22 THR 35 HG22 THR 35 14.036 20.977 -0.786 273 HG23 THR 35 HG23 THR 35 15.344 20.074 -0.021 274 HA PRO 36 HA PRO 36 14.234 22.944 6.216 275 HB2 PRO 36 HB2 PRO 36 13.140 25.363 5.322 276 HB3 PRO 36 HB3 PRO 36 14.807 25.096 5.839 277 HG2 PRO 36 HG2 PRO 36 13.662 25.177 3.091 278 HG3 PRO 36 HG3 PRO 36 15.243 25.733 3.669 279 HD2 PRO 36 HD2 PRO 36 14.988 23.457 2.280 280 HD3 PRO 36 HD3 PRO 36 16.150 23.596 3.617 281 H GLU 37 H GLU 37 12.013 23.012 3.469 282 HA GLU 37 HA GLU 37 9.645 23.558 4.850 283 HB2 GLU 37 HB2 GLU 37 8.531 22.500 2.907 284 HB3 GLU 37 HB3 GLU 37 9.773 23.646 2.430 285 HG2 GLU 37 HG2 GLU 37 11.324 21.666 2.191 286 HG3 GLU 37 HG3 GLU 37 9.900 20.645 2.369 287 H GLN 38 H GLN 38 11.466 20.596 4.536 288 HA GLN 38 HA GLN 38 9.301 19.093 5.819 289 HB2 GLN 38 HB2 GLN 38 11.799 18.200 4.375 290 HB3 GLN 38 HB3 GLN 38 10.732 17.095 5.235 291 HG2 GLN 38 HG2 GLN 38 9.891 18.875 2.957 292 HG3 GLN 38 HG3 GLN 38 10.307 17.167 2.809 293 HE21 GLN 38 HE21 GLN 38 8.892 15.622 3.576 294 HE22 GLN 38 HE22 GLN 38 7.265 15.985 4.027 295 H LEU 39 H LEU 39 12.743 19.871 6.181 296 HA LEU 39 HA LEU 39 13.023 18.449 8.625 297 HB2 LEU 39 HB2 LEU 39 14.713 20.467 7.184 298 HB3 LEU 39 HB3 LEU 39 15.163 19.857 8.763 299 HG LEU 39 HG LEU 39 16.354 18.645 7.084 300 HD11 LEU 39 HD11 LEU 39 15.654 16.348 7.594 301 HD12 LEU 39 HD12 LEU 39 14.146 16.976 8.259 302 HD13 LEU 39 HD13 LEU 39 15.682 17.376 9.026 303 HD21 LEU 39 HD21 LEU 39 15.246 17.279 5.392 304 HD22 LEU 39 HD22 LEU 39 14.911 18.998 5.179 305 HD23 LEU 39 HD23 LEU 39 13.689 17.944 5.890 306 H ASN 40 H ASN 40 11.424 21.313 7.994 307 HA ASN 40 HA ASN 40 11.878 22.278 10.728 308 HB2 ASN 40 HB2 ASN 40 11.850 23.889 8.775 309 HB3 ASN 40 HB3 ASN 40 10.133 23.540 8.605 310 HD21 ASN 40 HD21 ASN 40 9.627 25.691 9.001 311 HD22 ASN 40 HD22 ASN 40 9.696 26.365 10.592 312 H ARG 41 H ARG 41 9.933 20.206 9.007 313 HA ARG 41 HA ARG 41 7.562 20.579 10.668 314 HB2 ARG 41 HB2 ARG 41 8.168 18.908 8.245 315 HB3 ARG 41 HB3 ARG 41 6.751 18.584 9.231 316 HG2 ARG 41 HG2 ARG 41 5.906 20.810 8.807 317 HG3 ARG 41 HG3 ARG 41 7.363 21.210 7.896 318 HD2 ARG 41 HD2 ARG 41 6.821 19.671 6.177 319 HD3 ARG 41 HD3 ARG 41 5.551 18.928 7.148 320 HE ARG 41 HE ARG 41 4.460 21.234 6.959 321 HH11 ARG 41 HH11 ARG 41 6.478 19.827 4.458 322 HH12 ARG 41 HH12 ARG 41 5.642 20.638 3.167 323 HH21 ARG 41 HH21 ARG 41 3.366 22.289 5.244 324 HH22 ARG 41 HH22 ARG 41 3.893 22.030 3.608 325 H GLY 42 H GLY 42 9.823 17.938 9.811 326 HA2 GLY 42 HA2 GLY 42 9.670 16.880 12.488 327 HA3 GLY 42 HA3 GLY 42 8.781 15.921 11.316 328 H VAL 43 H VAL 43 9.872 14.261 10.553 329 HA VAL 43 HA VAL 43 12.809 14.381 10.597 330 HB VAL 43 HB VAL 43 11.075 11.909 10.635 331 HG11 VAL 43 HG11 VAL 43 13.287 11.541 9.712 332 HG12 VAL 43 HG12 VAL 43 13.132 10.766 11.288 333 HG13 VAL 43 HG13 VAL 43 14.019 12.282 11.133 334 HG21 VAL 43 HG21 VAL 43 11.662 11.723 13.007 335 HG22 VAL 43 HG22 VAL 43 10.739 13.187 12.676 336 HG23 VAL 43 HG23 VAL 43 12.481 13.282 12.921 337 H SER 44 H SER 44 13.845 14.299 8.733 338 HA SER 44 HA SER 44 12.702 12.886 6.457 339 HB2 SER 44 HB2 SER 44 13.545 15.791 6.306 340 HB3 SER 44 HB3 SER 44 13.082 14.791 4.932 341 HG SER 44 HG SER 44 11.144 14.566 6.687 342 H PHE 45 H PHE 45 14.300 12.504 4.771 343 HA PHE 45 HA PHE 45 16.811 11.799 5.859 344 HB2 PHE 45 HB2 PHE 45 15.849 11.909 2.998 345 HB3 PHE 45 HB3 PHE 45 17.412 11.253 3.483 346 HD1 PHE 45 HD1 PHE 45 17.423 9.330 5.145 347 HD2 PHE 45 HD2 PHE 45 13.938 10.574 3.043 348 HE1 PHE 45 HE1 PHE 45 16.371 7.156 5.610 349 HE2 PHE 45 HE2 PHE 45 12.878 8.401 3.506 350 HZ PHE 45 HZ PHE 45 14.095 6.695 4.796 351 H ALA 46 H ALA 46 18.732 12.779 5.865 352 HA ALA 46 HA ALA 46 18.819 15.584 5.127 353 HB1 ALA 46 HB1 ALA 46 19.746 14.839 7.275 354 HB2 ALA 46 HB2 ALA 46 20.965 15.616 6.267 355 HB3 ALA 46 HB3 ALA 46 20.933 13.858 6.416 356 H GLU 47 H GLU 47 19.559 12.621 3.735 357 HA GLU 47 HA GLU 47 21.443 13.821 1.844 358 HB2 GLU 47 HB2 GLU 47 20.697 10.943 2.385 359 HB3 GLU 47 HB3 GLU 47 21.725 11.442 1.046 360 HG2 GLU 47 HG2 GLU 47 23.355 12.347 2.560 361 HG3 GLU 47 HG3 GLU 47 22.304 12.036 3.938 362 H GLU 48 H GLU 48 20.768 14.484 -0.054 363 HA GLU 48 HA GLU 48 18.007 14.634 -0.604 364 HB2 GLU 48 HB2 GLU 48 20.399 15.254 -2.332 365 HB3 GLU 48 HB3 GLU 48 18.745 15.696 -2.729 366 HG2 GLU 48 HG2 GLU 48 18.613 17.158 -0.842 367 HG3 GLU 48 HG3 GLU 48 20.177 16.603 -0.245 368 H ASN 49 H ASN 49 20.510 12.483 -1.787 369 HA ASN 49 HA ASN 49 18.834 11.496 -3.925 370 HB2 ASN 49 HB2 ASN 49 21.569 10.654 -2.961 371 HB3 ASN 49 HB3 ASN 49 20.728 9.883 -4.301 372 HD21 ASN 49 HD21 ASN 49 19.565 12.380 -5.279 373 HD22 ASN 49 HD22 ASN 49 20.860 13.248 -6.017 374 H GLU 50 H GLU 50 17.498 9.891 -3.837 375 HA GLU 50 HA GLU 50 16.721 8.767 -1.389 376 HB2 GLU 50 HB2 GLU 50 16.033 7.621 -4.089 377 HB3 GLU 50 HB3 GLU 50 15.068 7.594 -2.621 378 HG2 GLU 50 HG2 GLU 50 13.971 9.247 -3.695 379 HG3 GLU 50 HG3 GLU 50 15.223 10.232 -2.941 380 H SER 51 H SER 51 18.032 7.447 -0.289 381 HA SER 51 HA SER 51 18.450 4.806 -1.423 382 HB2 SER 51 HB2 SER 51 20.734 6.328 -0.139 383 HB3 SER 51 HB3 SER 51 20.787 4.665 -0.713 384 HG SER 51 HG SER 51 19.907 6.249 -2.683 385 H LEU 52 H LEU 52 18.302 3.200 0.111 386 HA LEU 52 HA LEU 52 17.941 4.081 2.892 387 HB2 LEU 52 HB2 LEU 52 16.081 2.321 2.973 388 HB3 LEU 52 HB3 LEU 52 15.733 3.858 2.211 389 HG LEU 52 HG LEU 52 16.186 2.730 -0.012 390 HD11 LEU 52 HD11 LEU 52 15.948 0.227 1.657 391 HD12 LEU 52 HD12 LEU 52 17.406 0.779 0.830 392 HD13 LEU 52 HD13 LEU 52 15.985 0.304 -0.105 393 HD21 LEU 52 HD21 LEU 52 13.963 1.704 -0.091 394 HD22 LEU 52 HD22 LEU 52 13.947 3.253 0.756 395 HD23 LEU 52 HD23 LEU 52 13.889 1.745 1.671 396 H ASP 53 H ASP 53 19.869 2.398 1.029 397 HA ASP 53 HA ASP 53 20.339 0.334 3.061 398 HB2 ASP 53 HB2 ASP 53 18.941 -0.585 1.143 399 HB3 ASP 53 HB3 ASP 53 20.341 -0.326 0.110 400 H ASP 54 H ASP 54 21.668 2.804 2.466 401 HA ASP 54 HA ASP 54 24.183 1.937 1.244 402 HB2 ASP 54 HB2 ASP 54 23.058 4.175 0.670 403 HB3 ASP 54 HB3 ASP 54 23.572 4.714 2.267 404 H GLN 55 H GLN 55 26.137 3.145 2.541 405 HA GLN 55 HA GLN 55 26.265 1.702 5.009 406 HB2 GLN 55 HB2 GLN 55 28.195 2.151 3.405 407 HB3 GLN 55 HB3 GLN 55 28.221 3.789 4.038 408 HG2 GLN 55 HG2 GLN 55 28.347 1.583 6.005 409 HG3 GLN 55 HG3 GLN 55 29.761 1.839 4.987 410 HE21 GLN 55 HE21 GLN 55 27.764 3.142 7.513 411 HE22 GLN 55 HE22 GLN 55 28.838 4.423 7.970 412 H ASN 56 H ASN 56 26.200 5.133 4.115 413 HA ASN 56 HA ASN 56 25.479 5.747 6.891 414 HB2 ASN 56 HB2 ASN 56 25.917 8.142 6.231 415 HB3 ASN 56 HB3 ASN 56 27.329 7.095 6.233 416 HD21 ASN 56 HD21 ASN 56 25.040 8.828 4.240 417 HD22 ASN 56 HD22 ASN 56 25.986 8.789 2.795 418 H ILE 57 H ILE 57 23.466 6.171 7.357 419 HA ILE 57 HA ILE 57 21.683 7.162 5.232 420 HB ILE 57 HB ILE 57 21.072 5.335 7.560 421 HG12 ILE 57 HG12 ILE 57 21.953 4.222 5.573 422 HG13 ILE 57 HG13 ILE 57 20.257 3.810 5.810 423 HG21 ILE 57 HG21 ILE 57 18.698 5.397 6.608 424 HG22 ILE 57 HG22 ILE 57 19.185 6.914 5.846 425 HG23 ILE 57 HG23 ILE 57 19.230 6.751 7.607 426 HD11 ILE 57 HD11 ILE 57 21.352 5.794 3.829 427 HD12 ILE 57 HD12 ILE 57 19.641 5.443 4.085 428 HD13 ILE 57 HD13 ILE 57 20.716 4.188 3.473 429 H SER 58 H SER 58 21.909 9.327 5.628 430 HA SER 58 HA SER 58 21.781 10.308 8.354 431 HB2 SER 58 HB2 SER 58 21.903 11.919 5.803 432 HB3 SER 58 HB3 SER 58 22.352 12.441 7.426 433 HG SER 58 HG SER 58 23.674 10.615 5.711 434 H ILE 59 H ILE 59 19.840 10.467 9.284 435 HA ILE 59 HA ILE 59 17.650 11.694 7.725 436 HB ILE 59 HB ILE 59 17.036 9.988 10.109 437 HG12 ILE 59 HG12 ILE 59 17.385 8.849 7.325 438 HG13 ILE 59 HG13 ILE 59 18.520 8.600 8.649 439 HG21 ILE 59 HG21 ILE 59 14.956 9.596 8.849 440 HG22 ILE 59 HG22 ILE 59 15.590 10.574 7.527 441 HG23 ILE 59 HG23 ILE 59 15.273 11.313 9.096 442 HD11 ILE 59 HD11 ILE 59 15.648 7.700 8.567 443 HD12 ILE 59 HD12 ILE 59 16.742 7.493 9.937 444 HD13 ILE 59 HD13 ILE 59 17.080 6.680 8.406 445 H ALA 60 H ALA 60 17.133 13.657 8.519 446 HA ALA 60 HA ALA 60 18.097 14.322 11.212 447 HB1 ALA 60 HB1 ALA 60 18.935 15.734 9.404 448 HB2 ALA 60 HB2 ALA 60 17.935 16.656 10.526 449 HB3 ALA 60 HB3 ALA 60 17.283 16.161 8.965 450 H GLY 61 H GLY 61 16.759 15.201 12.753 451 HA2 GLY 61 HA2 GLY 61 13.878 15.151 12.110 452 HA3 GLY 61 HA3 GLY 61 14.509 14.378 13.558 453 H HIS 62 H HIS 62 12.892 16.958 12.564 454 HA HIS 62 HA HIS 62 14.178 18.997 14.169 455 HB2 HIS 62 HB2 HIS 62 12.955 19.460 12.015 456 HB3 HIS 62 HB3 HIS 62 11.458 19.063 12.850 457 HD1 HIS 62 HD1 HIS 62 10.268 21.030 13.769 458 HD2 HIS 62 HD2 HIS 62 14.349 21.727 13.394 459 HE1 HIS 62 HE1 HIS 62 10.606 23.425 14.437 460 H THR 63 H THR 63 13.717 19.479 16.217 461 HA THR 63 HA THR 63 11.106 18.926 17.313 462 HB THR 63 HB THR 63 12.367 16.818 17.721 463 HG1 THR 63 HG1 THR 63 12.198 17.680 20.299 464 HG21 THR 63 HG21 THR 63 14.194 16.825 19.342 465 HG22 THR 63 HG22 THR 63 14.123 18.586 19.413 466 HG23 THR 63 HG23 THR 63 14.596 17.784 17.918 467 H PHE 64 H PHE 64 11.140 19.707 19.720 468 HA PHE 64 HA PHE 64 13.054 21.873 20.147 469 HB2 PHE 64 HB2 PHE 64 10.061 22.188 20.046 470 HB3 PHE 64 HB3 PHE 64 11.051 23.261 21.026 471 HD1 PHE 64 HD1 PHE 64 13.266 24.040 19.549 472 HD2 PHE 64 HD2 PHE 64 9.378 23.126 18.088 473 HE1 PHE 64 HE1 PHE 64 13.661 25.488 17.600 474 HE2 PHE 64 HE2 PHE 64 9.768 24.567 16.135 475 HZ PHE 64 HZ PHE 64 11.914 25.753 15.888 476 H ILE 65 H ILE 65 13.669 22.050 22.241 477 HA ILE 65 HA ILE 65 12.752 20.171 24.176 478 HB ILE 65 HB ILE 65 15.017 21.581 23.958 479 HG12 ILE 65 HG12 ILE 65 14.538 19.654 25.490 480 HG13 ILE 65 HG13 ILE 65 15.644 20.851 26.148 481 HG21 ILE 65 HG21 ILE 65 13.432 23.177 25.961 482 HG22 ILE 65 HG22 ILE 65 14.022 23.742 24.398 483 HG23 ILE 65 HG23 ILE 65 15.166 23.320 25.672 484 HD11 ILE 65 HD11 ILE 65 14.131 20.102 27.856 485 HD12 ILE 65 HD12 ILE 65 12.740 20.502 26.847 486 HD13 ILE 65 HD13 ILE 65 13.778 21.787 27.464 487 H ASP 66 H ASP 66 11.631 23.170 23.073 488 HA ASP 66 HA ASP 66 10.126 23.877 25.439 489 HB2 ASP 66 HB2 ASP 66 10.973 25.668 24.039 490 HB3 ASP 66 HB3 ASP 66 10.154 25.006 22.631 491 H ARG 67 H ARG 67 9.674 21.853 22.715 492 HA ARG 67 HA ARG 67 6.765 21.869 23.153 493 HB2 ARG 67 HB2 ARG 67 8.231 21.650 20.522 494 HB3 ARG 67 HB3 ARG 67 6.501 21.398 20.723 495 HG2 ARG 67 HG2 ARG 67 7.973 23.947 21.340 496 HG3 ARG 67 HG3 ARG 67 7.011 23.638 19.891 497 HD2 ARG 67 HD2 ARG 67 5.011 23.472 21.152 498 HD3 ARG 67 HD3 ARG 67 5.895 23.422 22.676 499 HE ARG 67 HE ARG 67 6.507 25.756 22.280 500 HH11 ARG 67 HH11 ARG 67 3.866 24.436 20.393 501 HH12 ARG 67 HH12 ARG 67 3.063 25.968 20.204 502 HH21 ARG 67 HH21 ARG 67 5.468 27.772 22.020 503 HH22 ARG 67 HH22 ARG 67 3.979 27.864 21.125 504 HA PRO 68 HA PRO 68 7.584 17.458 23.641 505 HB2 PRO 68 HB2 PRO 68 4.965 17.321 24.834 506 HB3 PRO 68 HB3 PRO 68 6.532 17.148 25.628 507 HG2 PRO 68 HG2 PRO 68 4.802 19.247 26.032 508 HG3 PRO 68 HG3 PRO 68 6.545 19.318 26.326 509 HD2 PRO 68 HD2 PRO 68 4.963 20.339 24.015 510 HD3 PRO 68 HD3 PRO 68 6.391 21.041 24.807 511 H ASN 69 H ASN 69 5.652 19.261 21.758 512 HA ASN 69 HA ASN 69 3.729 17.266 20.921 513 HB2 ASN 69 HB2 ASN 69 4.219 19.947 19.633 514 HB3 ASN 69 HB3 ASN 69 2.730 19.006 19.661 515 HD21 ASN 69 HD21 ASN 69 1.481 18.981 21.550 516 HD22 ASN 69 HD22 ASN 69 1.686 20.170 22.794 517 H TYR 70 H TYR 70 6.812 17.250 20.393 518 HA TYR 70 HA TYR 70 6.661 16.883 17.489 519 HB2 TYR 70 HB2 TYR 70 8.855 17.662 19.328 520 HB3 TYR 70 HB3 TYR 70 9.288 16.710 17.910 521 HD1 TYR 70 HD1 TYR 70 8.716 17.569 15.646 522 HD2 TYR 70 HD2 TYR 70 8.311 19.971 19.128 523 HE1 TYR 70 HE1 TYR 70 8.647 19.578 14.237 524 HE2 TYR 70 HE2 TYR 70 8.234 21.993 17.729 525 HH TYR 70 HH TYR 70 7.703 21.927 14.434 526 H GLN 71 H GLN 71 8.654 15.202 16.941 527 HA GLN 71 HA GLN 71 7.376 12.728 17.792 528 HB2 GLN 71 HB2 GLN 71 9.361 13.083 15.547 529 HB3 GLN 71 HB3 GLN 71 8.226 11.759 15.782 530 HG2 GLN 71 HG2 GLN 71 6.363 13.348 15.449 531 HG3 GLN 71 HG3 GLN 71 7.539 14.612 15.108 532 HE21 GLN 71 HE21 GLN 71 9.290 12.673 13.701 533 HE22 GLN 71 HE22 GLN 71 8.539 12.414 12.168 534 H PHE 72 H PHE 72 10.506 14.311 17.925 535 HA PHE 72 HA PHE 72 11.697 11.866 19.036 536 HB2 PHE 72 HB2 PHE 72 12.871 14.314 17.770 537 HB3 PHE 72 HB3 PHE 72 13.847 13.344 18.866 538 HD1 PHE 72 HD1 PHE 72 12.857 10.633 18.160 539 HD2 PHE 72 HD2 PHE 72 13.895 13.954 15.711 540 HE1 PHE 72 HE1 PHE 72 13.416 9.097 16.324 541 HE2 PHE 72 HE2 PHE 72 14.459 12.421 13.868 542 HZ PHE 72 HZ PHE 72 14.223 9.988 14.178 543 H THR 73 H THR 73 9.855 13.724 20.472 544 HA THR 73 HA THR 73 11.445 15.246 22.289 545 HB THR 73 HB THR 73 9.266 15.450 23.557 546 HG1 THR 73 HG1 THR 73 7.734 14.105 23.012 547 HG21 THR 73 HG21 THR 73 9.976 17.120 21.933 548 HG22 THR 73 HG22 THR 73 8.230 16.878 21.849 549 HG23 THR 73 HG23 THR 73 9.280 16.163 20.625 550 H ASN 74 H ASN 74 9.940 12.065 22.364 551 HA ASN 74 HA ASN 74 10.628 11.737 25.179 552 HB2 ASN 74 HB2 ASN 74 8.396 11.017 24.087 553 HB3 ASN 74 HB3 ASN 74 9.308 9.656 23.457 554 HD21 ASN 74 HD21 ASN 74 7.993 8.251 24.657 555 HD22 ASN 74 HD22 ASN 74 8.235 8.032 26.358 556 H LEU 75 H LEU 75 12.581 11.745 22.839 557 HA LEU 75 HA LEU 75 13.528 9.094 22.488 558 HB2 LEU 75 HB2 LEU 75 13.907 11.141 21.014 559 HB3 LEU 75 HB3 LEU 75 15.167 11.586 22.148 560 HG LEU 75 HG LEU 75 16.374 9.515 21.651 561 HD11 LEU 75 HD11 LEU 75 14.134 9.007 19.696 562 HD12 LEU 75 HD12 LEU 75 14.487 8.070 21.149 563 HD13 LEU 75 HD13 LEU 75 15.629 8.077 19.804 564 HD21 LEU 75 HD21 LEU 75 15.571 11.062 19.196 565 HD22 LEU 75 HD22 LEU 75 16.995 10.032 19.342 566 HD23 LEU 75 HD23 LEU 75 16.857 11.490 20.324 567 H LYS 76 H LYS 76 13.750 11.225 25.092 568 HA LYS 76 HA LYS 76 16.254 10.319 26.152 569 HB2 LYS 76 HB2 LYS 76 15.752 11.593 28.092 570 HB3 LYS 76 HB3 LYS 76 15.165 12.522 26.722 571 HG2 LYS 76 HG2 LYS 76 13.314 10.727 28.240 572 HG3 LYS 76 HG3 LYS 76 13.711 12.330 28.847 573 HD2 LYS 76 HD2 LYS 76 12.963 13.261 26.655 574 HD3 LYS 76 HD3 LYS 76 12.419 11.642 26.214 575 HE2 LYS 76 HE2 LYS 76 10.563 12.963 27.050 576 HE3 LYS 76 HE3 LYS 76 10.912 11.628 28.144 577 HZ1 LYS 76 HZ1 LYS 76 12.018 13.121 29.632 578 HZ2 LYS 76 HZ2 LYS 76 10.486 13.757 29.282 579 HZ3 LYS 76 HZ3 LYS 76 11.866 14.414 28.542 580 H ALA 77 H ALA 77 13.017 9.145 26.178 581 HA ALA 77 HA ALA 77 13.328 7.503 28.527 582 HB1 ALA 77 HB1 ALA 77 11.118 6.641 27.979 583 HB2 ALA 77 HB2 ALA 77 11.171 7.471 26.423 584 HB3 ALA 77 HB3 ALA 77 11.144 8.404 27.921 585 H ALA 78 H ALA 78 14.503 7.260 25.450 586 HA ALA 78 HA ALA 78 14.321 4.346 25.280 587 HB1 ALA 78 HB1 ALA 78 15.651 6.326 23.413 588 HB2 ALA 78 HB2 ALA 78 14.010 5.699 23.241 589 HB3 ALA 78 HB3 ALA 78 15.389 4.607 23.108 590 H LYS 79 H LYS 79 16.358 3.101 24.959 591 HA LYS 79 HA LYS 79 18.584 4.282 26.487 592 HB2 LYS 79 HB2 LYS 79 17.757 1.374 26.503 593 HB3 LYS 79 HB3 LYS 79 19.067 2.090 27.424 594 HG2 LYS 79 HG2 LYS 79 17.385 1.867 28.990 595 HG3 LYS 79 HG3 LYS 79 17.243 3.551 28.491 596 HD2 LYS 79 HD2 LYS 79 15.420 2.958 26.978 597 HD3 LYS 79 HD3 LYS 79 15.565 1.266 27.462 598 HE2 LYS 79 HE2 LYS 79 14.942 1.822 29.726 599 HE3 LYS 79 HE3 LYS 79 14.925 3.541 29.337 600 HZ1 LYS 79 HZ1 LYS 79 13.133 1.522 28.099 601 HZ2 LYS 79 HZ2 LYS 79 13.078 3.204 27.877 602 HZ3 LYS 79 HZ3 LYS 79 12.701 2.537 29.386 603 H LYS 80 H LYS 80 20.626 2.881 26.175 604 HA LYS 80 HA LYS 80 21.300 3.105 23.402 605 HB2 LYS 80 HB2 LYS 80 23.539 2.778 24.054 606 HB3 LYS 80 HB3 LYS 80 22.808 3.655 25.385 607 HG2 LYS 80 HG2 LYS 80 23.292 0.682 25.331 608 HG3 LYS 80 HG3 LYS 80 24.318 1.868 26.133 609 HD2 LYS 80 HD2 LYS 80 22.446 2.497 27.585 610 HD3 LYS 80 HD3 LYS 80 21.426 1.301 26.781 611 HE2 LYS 80 HE2 LYS 80 22.223 0.340 28.821 612 HE3 LYS 80 HE3 LYS 80 23.055 -0.450 27.480 613 HZ1 LYS 80 HZ1 LYS 80 24.650 0.042 29.156 614 HZ2 LYS 80 HZ2 LYS 80 24.135 1.651 29.278 615 HZ3 LYS 80 HZ3 LYS 80 24.929 1.116 27.877 616 H GLY 81 H GLY 81 19.808 0.726 25.075 617 HA2 GLY 81 HA2 GLY 81 20.803 -1.348 23.225 618 HA3 GLY 81 HA3 GLY 81 20.461 -1.707 24.909 619 H SER 82 H SER 82 18.449 0.518 23.193 620 HA SER 82 HA SER 82 16.188 -1.218 23.503 621 HB2 SER 82 HB2 SER 82 16.446 1.594 22.409 622 HB3 SER 82 HB3 SER 82 14.923 0.754 22.707 623 HG SER 82 HG SER 82 15.182 1.827 24.538 624 H MET 83 H MET 83 14.615 -0.678 21.460 625 HA MET 83 HA MET 83 16.081 -1.667 19.112 626 HB2 MET 83 HB2 MET 83 13.430 -2.578 20.210 627 HB3 MET 83 HB3 MET 83 13.924 -2.902 18.552 628 HG2 MET 83 HG2 MET 83 15.868 -3.584 20.637 629 HG3 MET 83 HG3 MET 83 14.400 -4.558 20.605 630 HE1 MET 83 HE1 MET 83 17.456 -4.250 17.154 631 HE2 MET 83 HE2 MET 83 17.617 -3.435 18.715 632 HE3 MET 83 HE3 MET 83 16.389 -2.909 17.560 633 H VAL 84 H VAL 84 16.171 -0.118 17.766 634 HA VAL 84 HA VAL 84 13.920 1.708 17.386 635 HB VAL 84 HB VAL 84 16.691 1.750 16.160 636 HG11 VAL 84 HG11 VAL 84 16.136 4.018 15.421 637 HG12 VAL 84 HG12 VAL 84 14.498 3.818 16.047 638 HG13 VAL 84 HG13 VAL 84 15.059 2.817 14.710 639 HG21 VAL 84 HG21 VAL 84 15.505 3.376 18.405 640 HG22 VAL 84 HG22 VAL 84 17.072 3.672 17.655 641 HG23 VAL 84 HG23 VAL 84 16.787 2.170 18.531 642 H TYR 85 H TYR 85 12.391 0.911 16.097 643 HA TYR 85 HA TYR 85 13.129 -0.976 14.003 644 HB2 TYR 85 HB2 TYR 85 10.442 -0.087 15.052 645 HB3 TYR 85 HB3 TYR 85 10.651 -1.240 13.742 646 HD1 TYR 85 HD1 TYR 85 11.999 -3.360 14.265 647 HD2 TYR 85 HD2 TYR 85 10.395 -0.812 17.267 648 HE1 TYR 85 HE1 TYR 85 12.139 -5.202 15.896 649 HE2 TYR 85 HE2 TYR 85 10.530 -2.638 18.908 650 HH TYR 85 HH TYR 85 12.259 -5.509 18.331 651 H PHE 86 H PHE 86 13.276 -0.475 11.951 652 HA PHE 86 HA PHE 86 12.132 2.091 11.055 653 HB2 PHE 86 HB2 PHE 86 14.605 2.086 11.041 654 HB3 PHE 86 HB3 PHE 86 14.586 0.681 9.980 655 HD1 PHE 86 HD1 PHE 86 13.003 4.062 10.094 656 HD2 PHE 86 HD2 PHE 86 14.998 1.110 7.768 657 HE1 PHE 86 HE1 PHE 86 12.914 5.551 8.139 658 HE2 PHE 86 HE2 PHE 86 14.911 2.593 5.804 659 HZ PHE 86 HZ PHE 86 13.866 4.817 5.989 660 H LYS 87 H LYS 87 10.347 1.670 10.008 661 HA LYS 87 HA LYS 87 10.073 -0.752 8.392 662 HB2 LYS 87 HB2 LYS 87 8.285 0.104 9.998 663 HB3 LYS 87 HB3 LYS 87 8.016 1.412 8.860 664 HG2 LYS 87 HG2 LYS 87 7.629 -0.434 7.133 665 HG3 LYS 87 HG3 LYS 87 7.495 -1.517 8.517 666 HD2 LYS 87 HD2 LYS 87 5.768 0.852 7.839 667 HD3 LYS 87 HD3 LYS 87 5.291 -0.840 7.950 668 HE2 LYS 87 HE2 LYS 87 6.159 0.929 10.233 669 HE3 LYS 87 HE3 LYS 87 4.512 0.417 9.882 670 HZ1 LYS 87 HZ1 LYS 87 5.044 -1.121 11.421 671 HZ2 LYS 87 HZ2 LYS 87 6.703 -1.063 11.100 672 HZ3 LYS 87 HZ3 LYS 87 5.675 -1.948 10.077 673 H VAL 88 H VAL 88 9.904 -0.717 6.198 674 HA VAL 88 HA VAL 88 9.457 1.696 4.730 675 HB VAL 88 HB VAL 88 11.803 2.081 5.269 676 HG11 VAL 88 HG11 VAL 88 12.569 -0.184 5.614 677 HG12 VAL 88 HG12 VAL 88 13.565 0.606 4.392 678 HG13 VAL 88 HG13 VAL 88 12.327 -0.555 3.907 679 HG21 VAL 88 HG21 VAL 88 12.659 2.375 2.993 680 HG22 VAL 88 HG22 VAL 88 10.975 2.876 3.138 681 HG23 VAL 88 HG23 VAL 88 11.373 1.331 2.385 682 H GLY 89 H GLY 89 8.478 1.215 2.895 683 HA2 GLY 89 HA2 GLY 89 7.759 0.067 1.041 684 HA3 GLY 89 HA3 GLY 89 9.252 -0.850 1.130 685 H ASN 90 H ASN 90 9.303 -2.775 2.338 686 HA ASN 90 HA ASN 90 6.697 -3.878 3.118 687 HB2 ASN 90 HB2 ASN 90 8.558 -4.919 1.037 688 HB3 ASN 90 HB3 ASN 90 7.685 -6.077 2.036 689 HD21 ASN 90 HD21 ASN 90 5.430 -6.095 1.975 690 HD22 ASN 90 HD22 ASN 90 4.574 -5.482 0.600 691 H GLU 91 H GLU 91 9.718 -3.161 4.111 692 HA GLU 91 HA GLU 91 9.883 -5.563 5.803 693 HB2 GLU 91 HB2 GLU 91 12.338 -5.369 5.749 694 HB3 GLU 91 HB3 GLU 91 11.660 -5.662 4.155 695 HG2 GLU 91 HG2 GLU 91 11.889 -3.265 3.641 696 HG3 GLU 91 HG3 GLU 91 12.622 -3.018 5.228 697 H THR 92 H THR 92 11.269 -5.183 7.771 698 HA THR 92 HA THR 92 11.307 -2.435 8.739 699 HB THR 92 HB THR 92 9.859 -4.603 10.284 700 HG1 THR 92 HG1 THR 92 9.000 -3.036 8.300 701 HG21 THR 92 HG21 THR 92 9.215 -2.746 11.772 702 HG22 THR 92 HG22 THR 92 10.216 -1.649 10.820 703 HG23 THR 92 HG23 THR 92 10.965 -2.967 11.722 704 H ARG 93 H ARG 93 13.345 -2.230 9.391 705 HA ARG 93 HA ARG 93 14.792 -4.595 10.320 706 HB2 ARG 93 HB2 ARG 93 15.863 -1.858 9.615 707 HB3 ARG 93 HB3 ARG 93 16.810 -3.310 9.915 708 HG2 ARG 93 HG2 ARG 93 15.846 -4.352 7.928 709 HG3 ARG 93 HG3 ARG 93 14.892 -2.897 7.629 710 HD2 ARG 93 HD2 ARG 93 17.005 -1.607 7.477 711 HD3 ARG 93 HD3 ARG 93 17.899 -3.117 7.644 712 HE ARG 93 HE ARG 93 16.006 -3.182 5.490 713 HH11 ARG 93 HH11 ARG 93 19.265 -2.248 6.432 714 HH12 ARG 93 HH12 ARG 93 19.835 -2.178 4.785 715 HH21 ARG 93 HH21 ARG 93 16.783 -3.117 3.355 716 HH22 ARG 93 HH22 ARG 93 18.443 -2.683 3.047 717 H LYS 94 H LYS 94 16.125 -4.488 12.198 718 HA LYS 94 HA LYS 94 15.104 -2.615 14.218 719 HB2 LYS 94 HB2 LYS 94 16.483 -4.687 15.533 720 HB3 LYS 94 HB3 LYS 94 14.756 -4.392 15.529 721 HG2 LYS 94 HG2 LYS 94 15.038 -6.642 14.906 722 HG3 LYS 94 HG3 LYS 94 14.662 -5.784 13.413 723 HD2 LYS 94 HD2 LYS 94 16.458 -7.328 12.988 724 HD3 LYS 94 HD3 LYS 94 17.096 -5.686 12.920 725 HE2 LYS 94 HE2 LYS 94 18.665 -6.999 14.132 726 HE3 LYS 94 HE3 LYS 94 17.836 -5.967 15.296 727 HZ1 LYS 94 HZ1 LYS 94 17.047 -8.779 14.772 728 HZ2 LYS 94 HZ2 LYS 94 16.548 -7.788 16.056 729 HZ3 LYS 94 HZ3 LYS 94 18.147 -8.336 15.978 730 H TYR 95 H TYR 95 16.424 -1.058 14.738 731 HA TYR 95 HA TYR 95 19.331 -1.495 14.530 732 HB2 TYR 95 HB2 TYR 95 17.727 1.077 14.488 733 HB3 TYR 95 HB3 TYR 95 19.485 0.987 14.418 734 HD1 TYR 95 HD1 TYR 95 16.388 0.044 12.613 735 HD2 TYR 95 HD2 TYR 95 20.588 0.645 12.367 736 HE1 TYR 95 HE1 TYR 95 16.268 -0.175 10.165 737 HE2 TYR 95 HE2 TYR 95 20.485 0.433 9.920 738 HH TYR 95 HH TYR 95 18.986 -0.662 8.240 739 H LYS 96 H LYS 96 20.667 -0.653 16.240 740 HA LYS 96 HA LYS 96 19.203 -0.403 18.782 741 HB2 LYS 96 HB2 LYS 96 20.619 -2.421 18.614 742 HB3 LYS 96 HB3 LYS 96 22.024 -1.402 18.342 743 HG2 LYS 96 HG2 LYS 96 21.842 -0.472 20.548 744 HG3 LYS 96 HG3 LYS 96 20.324 -1.327 20.825 745 HD2 LYS 96 HD2 LYS 96 22.995 -2.635 20.323 746 HD3 LYS 96 HD3 LYS 96 22.242 -2.429 21.907 747 HE2 LYS 96 HE2 LYS 96 20.344 -3.786 21.188 748 HE3 LYS 96 HE3 LYS 96 21.071 -3.974 19.594 749 HZ1 LYS 96 HZ1 LYS 96 22.282 -4.932 22.134 750 HZ2 LYS 96 HZ2 LYS 96 22.892 -5.181 20.569 751 HZ3 LYS 96 HZ3 LYS 96 21.429 -5.902 21.033 752 H MET 97 H MET 97 20.032 1.090 20.335 753 HA MET 97 HA MET 97 20.963 3.486 18.984 754 HB2 MET 97 HB2 MET 97 20.107 3.170 21.875 755 HB3 MET 97 HB3 MET 97 20.296 4.678 20.991 756 HG2 MET 97 HG2 MET 97 18.478 3.869 19.450 757 HG3 MET 97 HG3 MET 97 18.205 2.560 20.594 758 HE1 MET 97 HE1 MET 97 17.848 6.368 19.845 759 HE2 MET 97 HE2 MET 97 19.051 6.413 21.134 760 HE3 MET 97 HE3 MET 97 17.427 7.036 21.422 761 H THR 98 H THR 98 23.068 2.389 18.686 762 HA THR 98 HA THR 98 24.602 1.596 20.939 763 HB THR 98 HB THR 98 26.448 1.319 19.291 764 HG1 THR 98 HG1 THR 98 25.617 1.652 16.999 765 HG21 THR 98 HG21 THR 98 25.374 -0.424 17.965 766 HG22 THR 98 HG22 THR 98 23.785 0.243 18.344 767 HG23 THR 98 HG23 THR 98 24.774 -0.465 19.622 768 H SER 99 H SER 99 24.535 4.524 18.962 769 HA SER 99 HA SER 99 26.486 5.691 20.829 770 HB2 SER 99 HB2 SER 99 26.326 6.267 17.865 771 HB3 SER 99 HB3 SER 99 27.515 6.907 19.001 772 HG SER 99 HG SER 99 27.176 4.219 18.159 773 H ILE 100 H ILE 100 24.992 6.741 22.065 774 HA ILE 100 HA ILE 100 23.425 8.860 20.739 775 HB ILE 100 HB ILE 100 23.098 7.830 23.567 776 HG12 ILE 100 HG12 ILE 100 21.403 7.167 21.150 777 HG13 ILE 100 HG13 ILE 100 22.632 6.094 21.812 778 HG21 ILE 100 HG21 ILE 100 21.331 9.553 21.830 779 HG22 ILE 100 HG22 ILE 100 22.283 10.097 23.210 780 HG23 ILE 100 HG23 ILE 100 20.934 8.987 23.452 781 HD11 ILE 100 HD11 ILE 100 20.189 7.067 23.272 782 HD12 ILE 100 HD12 ILE 100 21.402 5.949 23.900 783 HD13 ILE 100 HD13 ILE 100 20.390 5.478 22.534 784 H ARG 101 H ARG 101 24.497 10.779 20.764 785 HA ARG 101 HA ARG 101 25.864 11.550 23.241 786 HB2 ARG 101 HB2 ARG 101 27.507 10.552 21.628 787 HB3 ARG 101 HB3 ARG 101 27.134 11.857 20.518 788 HG2 ARG 101 HG2 ARG 101 27.940 13.476 22.155 789 HG3 ARG 101 HG3 ARG 101 28.306 12.162 23.273 790 HD2 ARG 101 HD2 ARG 101 29.802 11.219 21.457 791 HD3 ARG 101 HD3 ARG 101 29.592 12.754 20.616 792 HE ARG 101 HE ARG 101 30.410 13.267 23.252 793 HH11 ARG 101 HH11 ARG 101 31.691 11.995 20.244 794 HH12 ARG 101 HH12 ARG 101 33.338 12.373 20.643 795 HH21 ARG 101 HH21 ARG 101 32.548 13.724 23.790 796 HH22 ARG 101 HH22 ARG 101 33.834 13.319 22.686 797 H ASP 102 H ASP 102 26.091 13.777 23.535 798 HA ASP 102 HA ASP 102 24.181 15.371 21.998 799 HB2 ASP 102 HB2 ASP 102 24.467 17.039 23.839 800 HB3 ASP 102 HB3 ASP 102 23.869 15.479 24.389 801 H VAL 103 H VAL 103 24.803 16.884 20.578 802 HA VAL 103 HA VAL 103 27.641 17.664 20.554 803 HB VAL 103 HB VAL 103 26.098 16.917 18.065 804 HG11 VAL 103 HG11 VAL 103 27.830 18.568 17.687 805 HG12 VAL 103 HG12 VAL 103 28.287 17.021 16.975 806 HG13 VAL 103 HG13 VAL 103 29.014 17.541 18.494 807 HG21 VAL 103 HG21 VAL 103 28.199 15.321 19.531 808 HG22 VAL 103 HG22 VAL 103 27.480 14.902 17.975 809 HG23 VAL 103 HG23 VAL 103 26.480 14.935 19.430 810 H LYS 104 H LYS 104 27.216 19.712 21.283 811 HA LYS 104 HA LYS 104 25.289 21.375 19.860 812 HB2 LYS 104 HB2 LYS 104 26.903 21.670 22.370 813 HB3 LYS 104 HB3 LYS 104 26.200 23.091 21.607 814 HG2 LYS 104 HG2 LYS 104 24.161 22.613 22.365 815 HG3 LYS 104 HG3 LYS 104 24.288 20.924 21.880 816 HD2 LYS 104 HD2 LYS 104 25.589 22.045 24.357 817 HD3 LYS 104 HD3 LYS 104 23.982 21.314 24.343 818 HE2 LYS 104 HE2 LYS 104 24.993 19.249 23.405 819 HE3 LYS 104 HE3 LYS 104 26.581 19.987 23.588 820 HZ1 LYS 104 HZ1 LYS 104 24.676 19.475 25.805 821 HZ2 LYS 104 HZ2 LYS 104 26.243 20.106 25.957 822 HZ3 LYS 104 HZ3 LYS 104 26.019 18.507 25.430 823 HA PRO 105 HA PRO 105 28.217 23.214 17.177 824 HB2 PRO 105 HB2 PRO 105 26.870 25.791 17.297 825 HB3 PRO 105 HB3 PRO 105 26.884 24.601 15.994 826 HG2 PRO 105 HG2 PRO 105 24.675 25.129 17.473 827 HG3 PRO 105 HG3 PRO 105 25.005 23.536 16.767 828 HD2 PRO 105 HD2 PRO 105 25.424 24.484 19.583 829 HD3 PRO 105 HD3 PRO 105 24.761 22.941 18.998 830 H THR 106 H THR 106 28.391 23.885 20.297 831 HA THR 106 HA THR 106 29.829 26.336 20.359 832 HB THR 106 HB THR 106 30.688 25.275 22.592 833 HG1 THR 106 HG1 THR 106 30.137 23.195 22.563 834 HG21 THR 106 HG21 THR 106 29.002 27.052 22.457 835 HG22 THR 106 HG22 THR 106 28.588 25.875 23.703 836 HG23 THR 106 HG23 THR 106 27.752 25.846 22.150 837 H ASP 107 H ASP 107 30.672 22.986 19.825 838 HA ASP 107 HA ASP 107 33.271 23.844 18.822 839 HB2 ASP 107 HB2 ASP 107 33.741 23.149 21.137 840 HB3 ASP 107 HB3 ASP 107 32.965 21.599 20.835 841 H VAL 108 H VAL 108 33.072 23.239 16.757 842 HA VAL 108 HA VAL 108 31.698 20.740 16.113 843 HB VAL 108 HB VAL 108 31.886 21.451 13.759 844 HG11 VAL 108 HG11 VAL 108 29.921 22.078 15.046 845 HG12 VAL 108 HG12 VAL 108 30.335 23.347 13.894 846 HG13 VAL 108 HG13 VAL 108 30.731 23.544 15.602 847 HG21 VAL 108 HG21 VAL 108 33.963 22.715 13.895 848 HG22 VAL 108 HG22 VAL 108 33.169 23.936 14.889 849 HG23 VAL 108 HG23 VAL 108 32.670 23.701 13.215 850 H GLU 109 H GLU 109 32.868 19.793 13.929 851 HA GLU 109 HA GLU 109 34.498 18.461 13.139 852 HB2 GLU 109 HB2 GLU 109 36.364 20.208 14.748 853 HB3 GLU 109 HB3 GLU 109 36.822 19.091 13.475 854 HG2 GLU 109 HG2 GLU 109 35.598 20.402 11.844 855 HG3 GLU 109 HG3 GLU 109 35.085 21.513 13.113 856 H VAL 110 H VAL 110 33.448 18.446 16.148 857 HA VAL 110 HA VAL 110 35.200 16.763 17.567 858 HB VAL 110 HB VAL 110 33.426 17.934 18.720 859 HG11 VAL 110 HG11 VAL 110 31.755 17.964 16.950 860 HG12 VAL 110 HG12 VAL 110 31.066 17.348 18.453 861 HG13 VAL 110 HG13 VAL 110 31.492 16.232 17.153 862 HG21 VAL 110 HG21 VAL 110 32.453 16.099 20.039 863 HG22 VAL 110 HG22 VAL 110 34.179 15.884 19.755 864 HG23 VAL 110 HG23 VAL 110 33.009 14.951 18.822 865 H LEU 111 H LEU 111 32.689 16.143 15.213 866 HA LEU 111 HA LEU 111 33.739 13.455 14.877 867 HB2 LEU 111 HB2 LEU 111 31.305 12.728 14.424 868 HB3 LEU 111 HB3 LEU 111 31.883 12.818 16.073 869 HG LEU 111 HG LEU 111 30.792 15.117 16.187 870 HD11 LEU 111 HD11 LEU 111 30.550 15.480 13.793 871 HD12 LEU 111 HD12 LEU 111 28.986 15.539 14.609 872 HD13 LEU 111 HD13 LEU 111 29.450 14.107 13.689 873 HD21 LEU 111 HD21 LEU 111 28.606 14.169 16.657 874 HD22 LEU 111 HD22 LEU 111 29.882 13.100 17.241 875 HD23 LEU 111 HD23 LEU 111 29.026 12.716 15.750 876 H ASP 112 H ASP 112 33.528 12.625 12.763 877 HA ASP 112 HA ASP 112 33.149 14.789 10.795 878 HB2 ASP 112 HB2 ASP 112 35.017 12.410 10.697 879 HB3 ASP 112 HB3 ASP 112 34.789 13.558 9.382 880 H GLU 113 H GLU 113 32.598 14.064 8.600 881 HA GLU 113 HA GLU 113 30.603 11.931 8.691 882 HB2 GLU 113 HB2 GLU 113 29.897 12.911 6.468 883 HB3 GLU 113 HB3 GLU 113 29.701 13.964 7.863 884 HG2 GLU 113 HG2 GLU 113 31.789 15.113 7.269 885 HG3 GLU 113 HG3 GLU 113 31.940 14.078 5.850 886 H GLN 114 H GLN 114 32.395 10.359 8.742 887 HA GLN 114 HA GLN 114 33.503 9.910 6.052 888 HB2 GLN 114 HB2 GLN 114 35.457 8.942 7.001 889 HB3 GLN 114 HB3 GLN 114 35.189 10.471 7.822 890 HG2 GLN 114 HG2 GLN 114 34.343 7.813 8.947 891 HG3 GLN 114 HG3 GLN 114 35.903 8.562 9.277 892 HE21 GLN 114 HE21 GLN 114 32.484 8.690 9.848 893 HE22 GLN 114 HE22 GLN 114 32.537 9.855 11.127 894 H LYS 115 H LYS 115 33.796 7.744 5.395 895 HA LYS 115 HA LYS 115 31.685 5.971 6.232 896 HB2 LYS 115 HB2 LYS 115 32.254 4.625 4.350 897 HB3 LYS 115 HB3 LYS 115 32.356 6.295 3.826 898 HG2 LYS 115 HG2 LYS 115 34.749 4.658 4.641 899 HG3 LYS 115 HG3 LYS 115 34.166 4.783 2.983 900 HD2 LYS 115 HD2 LYS 115 34.465 7.254 3.134 901 HD3 LYS 115 HD3 LYS 115 35.195 7.018 4.722 902 HE2 LYS 115 HE2 LYS 115 36.973 5.708 3.769 903 HE3 LYS 115 HE3 LYS 115 36.218 5.778 2.177 904 HZ1 LYS 115 HZ1 LYS 115 36.564 8.149 2.129 905 HZ2 LYS 115 HZ2 LYS 115 38.041 7.371 2.414 906 HZ3 LYS 115 HZ3 LYS 115 37.222 8.130 3.691 907 H GLY 116 H GLY 116 32.688 3.467 5.984 908 HA2 GLY 116 HA2 GLY 116 34.487 2.042 6.716 909 HA3 GLY 116 HA3 GLY 116 34.965 3.299 7.847 910 H LYS 117 H LYS 117 31.628 2.493 7.464 911 HA LYS 117 HA LYS 117 31.659 0.930 9.959 912 HB2 LYS 117 HB2 LYS 117 29.613 3.047 9.266 913 HB3 LYS 117 HB3 LYS 117 29.715 2.126 10.761 914 HG2 LYS 117 HG2 LYS 117 31.853 4.022 9.828 915 HG3 LYS 117 HG3 LYS 117 30.524 4.486 10.888 916 HD2 LYS 117 HD2 LYS 117 31.258 2.953 12.580 917 HD3 LYS 117 HD3 LYS 117 32.480 2.276 11.500 918 HE2 LYS 117 HE2 LYS 117 33.370 3.888 13.187 919 HE3 LYS 117 HE3 LYS 117 33.726 4.311 11.514 920 HZ1 LYS 117 HZ1 LYS 117 31.969 5.932 11.545 921 HZ2 LYS 117 HZ2 LYS 117 33.003 6.220 12.856 922 HZ3 LYS 117 HZ3 LYS 117 31.501 5.471 13.108 923 H ASP 118 H ASP 118 28.975 0.385 10.132 924 HA ASP 118 HA ASP 118 28.333 -0.875 7.546 925 HB2 ASP 118 HB2 ASP 118 28.376 -2.212 9.816 926 HB3 ASP 118 HB3 ASP 118 26.806 -1.449 10.068 927 H LYS 119 H LYS 119 25.546 -1.124 8.189 928 HA LYS 119 HA LYS 119 24.624 1.355 7.168 929 HB2 LYS 119 HB2 LYS 119 23.066 -0.920 8.391 930 HB3 LYS 119 HB3 LYS 119 22.404 0.365 7.387 931 HG2 LYS 119 HG2 LYS 119 23.411 -0.444 5.461 932 HG3 LYS 119 HG3 LYS 119 24.590 -1.401 6.365 933 HD2 LYS 119 HD2 LYS 119 22.841 -2.881 7.124 934 HD3 LYS 119 HD3 LYS 119 21.627 -1.915 6.280 935 HE2 LYS 119 HE2 LYS 119 22.083 -3.797 4.904 936 HE3 LYS 119 HE3 LYS 119 22.862 -2.408 4.151 937 HZ1 LYS 119 HZ1 LYS 119 24.968 -3.120 5.153 938 HZ2 LYS 119 HZ2 LYS 119 24.321 -4.307 4.130 939 HZ3 LYS 119 HZ3 LYS 119 24.195 -4.480 5.811 940 H GLN 120 H GLN 120 25.086 3.017 8.529 941 HA GLN 120 HA GLN 120 23.915 2.947 11.226 942 HB2 GLN 120 HB2 GLN 120 25.357 4.889 11.706 943 HB3 GLN 120 HB3 GLN 120 26.300 3.511 11.156 944 HG2 GLN 120 HG2 GLN 120 26.596 4.483 8.994 945 HG3 GLN 120 HG3 GLN 120 25.456 5.777 9.364 946 HE21 GLN 120 HE21 GLN 120 26.087 7.450 10.738 947 HE22 GLN 120 HE22 GLN 120 27.753 7.756 11.089 948 H LEU 121 H LEU 121 22.063 4.046 11.560 949 HA LEU 121 HA LEU 121 21.283 6.060 9.587 950 HB2 LEU 121 HB2 LEU 121 19.621 5.427 11.996 951 HB3 LEU 121 HB3 LEU 121 19.118 5.999 10.415 952 HG LEU 121 HG LEU 121 20.010 3.190 11.078 953 HD11 LEU 121 HD11 LEU 121 17.305 4.332 10.387 954 HD12 LEU 121 HD12 LEU 121 17.816 3.754 11.972 955 HD13 LEU 121 HD13 LEU 121 17.674 2.623 10.626 956 HD21 LEU 121 HD21 LEU 121 20.643 3.825 8.803 957 HD22 LEU 121 HD22 LEU 121 18.990 4.351 8.487 958 HD23 LEU 121 HD23 LEU 121 19.329 2.649 8.798 959 H THR 122 H THR 122 22.231 7.939 9.917 960 HA THR 122 HA THR 122 22.944 8.826 12.575 961 HB THR 122 HB THR 122 23.185 10.400 10.007 962 HG1 THR 122 HG1 THR 122 24.843 9.184 9.466 963 HG21 THR 122 HG21 THR 122 25.051 11.478 11.179 964 HG22 THR 122 HG22 THR 122 24.742 10.475 12.597 965 HG23 THR 122 HG23 THR 122 23.543 11.661 12.076 966 H LEU 123 H LEU 123 20.993 9.171 13.616 967 HA LEU 123 HA LEU 123 19.001 10.864 12.377 968 HB2 LEU 123 HB2 LEU 123 19.089 9.549 15.093 969 HB3 LEU 123 HB3 LEU 123 17.754 10.534 14.522 970 HG LEU 123 HG LEU 123 18.667 7.873 13.441 971 HD11 LEU 123 HD11 LEU 123 17.220 7.698 15.354 972 HD12 LEU 123 HD12 LEU 123 16.328 7.245 13.901 973 HD13 LEU 123 HD13 LEU 123 16.073 8.829 14.636 974 HD21 LEU 123 HD21 LEU 123 16.631 9.762 12.289 975 HD22 LEU 123 HD22 LEU 123 16.925 8.109 11.750 976 HD23 LEU 123 HD23 LEU 123 18.182 9.331 11.570 977 H ILE 124 H ILE 124 19.725 12.864 12.188 978 HA ILE 124 HA ILE 124 21.145 14.196 14.318 979 HB ILE 124 HB ILE 124 20.031 15.398 11.777 980 HG12 ILE 124 HG12 ILE 124 22.805 14.304 12.300 981 HG13 ILE 124 HG13 ILE 124 21.574 13.500 11.332 982 HG21 ILE 124 HG21 ILE 124 20.583 17.037 13.485 983 HG22 ILE 124 HG22 ILE 124 21.740 17.120 12.156 984 HG23 ILE 124 HG23 ILE 124 22.190 16.329 13.667 985 HD11 ILE 124 HD11 ILE 124 23.200 14.625 9.931 986 HD12 ILE 124 HD12 ILE 124 22.842 16.161 10.722 987 HD13 ILE 124 HD13 ILE 124 21.606 15.359 9.751 988 H THR 125 H THR 125 19.832 14.437 16.061 989 HA THR 125 HA THR 125 17.148 15.511 15.655 990 HB THR 125 HB THR 125 18.378 14.559 18.246 991 HG1 THR 125 HG1 THR 125 18.151 13.011 16.305 992 HG21 THR 125 HG21 THR 125 16.016 14.204 18.887 993 HG22 THR 125 HG22 THR 125 15.514 14.913 17.351 994 HG23 THR 125 HG23 THR 125 16.375 15.895 18.536 995 H CYS 126 H CYS 126 17.799 17.670 15.131 996 HA CYS 126 HA CYS 126 19.233 19.247 17.038 997 HB2 CYS 126 HB2 CYS 126 17.648 19.898 14.566 998 HB3 CYS 126 HB3 CYS 126 18.205 21.181 15.639 999 H ASP 127 H ASP 127 18.502 19.730 18.930 1000 HA ASP 127 HA ASP 127 15.731 19.216 19.571 1001 HB2 ASP 127 HB2 ASP 127 17.788 18.419 20.872 1002 HB3 ASP 127 HB3 ASP 127 17.916 20.069 21.464 1003 H ASP 128 H ASP 128 17.782 21.943 19.102 1004 HA ASP 128 HA ASP 128 15.497 23.697 19.631 1005 HB2 ASP 128 HB2 ASP 128 18.291 24.107 20.695 1006 HB3 ASP 128 HB3 ASP 128 17.131 25.420 20.547 1007 H TYR 129 H TYR 129 15.298 25.354 18.171 1008 HA TYR 129 HA TYR 129 17.466 25.959 16.353 1009 HB2 TYR 129 HB2 TYR 129 16.598 24.034 15.223 1010 HB3 TYR 129 HB3 TYR 129 14.939 24.579 15.433 1011 HD1 TYR 129 HD1 TYR 129 18.137 25.659 13.817 1012 HD2 TYR 129 HD2 TYR 129 13.883 25.628 13.672 1013 HE1 TYR 129 HE1 TYR 129 18.210 26.744 11.608 1014 HE2 TYR 129 HE2 TYR 129 13.942 26.713 11.470 1015 HH TYR 129 HH TYR 129 15.405 28.056 10.117 1016 H ASN 130 H ASN 130 17.391 28.007 15.701 1017 HA ASN 130 HA ASN 130 14.814 29.441 15.824 1018 HB2 ASN 130 HB2 ASN 130 16.434 30.272 17.504 1019 HB3 ASN 130 HB3 ASN 130 17.588 30.596 16.214 1020 HD21 ASN 130 HD21 ASN 130 17.383 32.419 15.013 1021 HD22 ASN 130 HD22 ASN 130 16.186 33.640 15.314 1022 H GLU 131 H GLU 131 14.086 30.160 13.944 1023 HA GLU 131 HA GLU 131 15.348 29.204 11.618 1024 HB2 GLU 131 HB2 GLU 131 13.088 29.069 11.443 1025 HB3 GLU 131 HB3 GLU 131 12.818 30.541 12.365 1026 HG2 GLU 131 HG2 GLU 131 13.565 31.832 10.409 1027 HG3 GLU 131 HG3 GLU 131 13.643 30.330 9.491 1028 H LYS 132 H LYS 132 14.770 32.507 12.837 1029 HA LYS 132 HA LYS 132 15.415 33.819 10.444 1030 HB2 LYS 132 HB2 LYS 132 14.247 34.787 12.483 1031 HB3 LYS 132 HB3 LYS 132 15.835 34.968 13.201 1032 HG2 LYS 132 HG2 LYS 132 15.302 36.149 10.516 1033 HG3 LYS 132 HG3 LYS 132 14.713 36.962 11.965 1034 HD2 LYS 132 HD2 LYS 132 16.925 37.183 12.832 1035 HD3 LYS 132 HD3 LYS 132 17.581 36.123 11.583 1036 HE2 LYS 132 HE2 LYS 132 16.256 38.770 11.021 1037 HE3 LYS 132 HE3 LYS 132 17.996 38.561 11.213 1038 HZ1 LYS 132 HZ1 LYS 132 17.980 37.020 9.348 1039 HZ2 LYS 132 HZ2 LYS 132 17.365 38.533 8.889 1040 HZ3 LYS 132 HZ3 LYS 132 16.306 37.240 9.156 1041 H THR 133 H THR 133 17.426 33.599 13.367 1042 HA THR 133 HA THR 133 19.693 34.686 12.041 1043 HB THR 133 HB THR 133 20.857 34.166 14.190 1044 HG1 THR 133 HG1 THR 133 19.466 33.367 15.897 1045 HG21 THR 133 HG21 THR 133 19.717 36.291 13.929 1046 HG22 THR 133 HG22 THR 133 19.445 35.690 15.567 1047 HG23 THR 133 HG23 THR 133 18.171 35.550 14.349 1048 H GLY 134 H GLY 134 18.369 31.588 12.159 1049 HA2 GLY 134 HA2 GLY 134 19.093 29.585 11.305 1050 HA3 GLY 134 HA3 GLY 134 20.456 30.456 10.614 1051 H VAL 135 H VAL 135 19.331 29.627 13.888 1052 HA VAL 135 HA VAL 135 21.975 28.471 14.395 1053 HB VAL 135 HB VAL 135 21.934 30.730 15.360 1054 HG11 VAL 135 HG11 VAL 135 19.654 29.695 17.027 1055 HG12 VAL 135 HG12 VAL 135 19.550 30.929 15.773 1056 HG13 VAL 135 HG13 VAL 135 20.469 31.243 17.245 1057 HG21 VAL 135 HG21 VAL 135 22.593 30.123 17.651 1058 HG22 VAL 135 HG22 VAL 135 23.300 29.057 16.437 1059 HG23 VAL 135 HG23 VAL 135 21.922 28.512 17.396 1060 H TRP 136 H TRP 136 22.025 26.785 15.824 1061 HA TRP 136 HA TRP 136 19.456 25.769 16.799 1062 HB2 TRP 136 HB2 TRP 136 20.597 23.437 16.272 1063 HB3 TRP 136 HB3 TRP 136 19.704 24.307 15.031 1064 HD1 TRP 136 HD1 TRP 136 23.260 23.307 16.009 1065 HE1 TRP 136 HE1 TRP 136 24.816 23.702 13.998 1066 HE3 TRP 136 HE3 TRP 136 19.994 25.730 12.913 1067 HZ2 TRP 136 HZ2 TRP 136 24.679 24.886 11.439 1068 HZ3 TRP 136 HZ3 TRP 136 20.785 26.466 10.705 1069 HH2 TRP 136 HH2 TRP 136 23.080 26.053 9.983 1070 H GLU 137 H GLU 137 19.624 25.956 18.916 1071 HA GLU 137 HA GLU 137 21.989 26.364 20.315 1072 HB2 GLU 137 HB2 GLU 137 19.345 25.405 21.409 1073 HB3 GLU 137 HB3 GLU 137 20.644 26.122 22.348 1074 HG2 GLU 137 HG2 GLU 137 19.162 27.514 20.132 1075 HG3 GLU 137 HG3 GLU 137 18.805 27.688 21.847 1076 H LYS 138 H LYS 138 19.930 23.433 20.432 1077 HA LYS 138 HA LYS 138 22.353 21.962 21.227 1078 HB2 LYS 138 HB2 LYS 138 19.544 21.202 22.019 1079 HB3 LYS 138 HB3 LYS 138 21.045 20.498 22.598 1080 HG2 LYS 138 HG2 LYS 138 21.531 22.843 23.542 1081 HG3 LYS 138 HG3 LYS 138 19.807 23.131 23.290 1082 HD2 LYS 138 HD2 LYS 138 21.113 21.076 25.059 1083 HD3 LYS 138 HD3 LYS 138 20.019 22.379 25.521 1084 HE2 LYS 138 HE2 LYS 138 19.208 20.092 23.737 1085 HE3 LYS 138 HE3 LYS 138 19.021 20.061 25.488 1086 HZ1 LYS 138 HZ1 LYS 138 17.848 22.207 23.805 1087 HZ2 LYS 138 HZ2 LYS 138 17.471 21.795 25.411 1088 HZ3 LYS 138 HZ3 LYS 138 17.027 20.759 24.142 1089 H ARG 139 H ARG 139 22.860 20.197 20.058 1090 HA ARG 139 HA ARG 139 20.750 19.019 18.380 1091 HB2 ARG 139 HB2 ARG 139 23.695 18.934 17.737 1092 HB3 ARG 139 HB3 ARG 139 22.366 18.397 16.726 1093 HG2 ARG 139 HG2 ARG 139 21.614 20.810 16.650 1094 HG3 ARG 139 HG3 ARG 139 23.171 21.213 17.385 1095 HD2 ARG 139 HD2 ARG 139 22.604 20.021 14.695 1096 HD3 ARG 139 HD3 ARG 139 23.582 21.431 15.103 1097 HE ARG 139 HE ARG 139 25.108 19.700 16.203 1098 HH11 ARG 139 HH11 ARG 139 23.197 19.162 13.307 1099 HH12 ARG 139 HH12 ARG 139 24.202 17.850 12.750 1100 HH21 ARG 139 HH21 ARG 139 26.445 17.990 15.452 1101 HH22 ARG 139 HH22 ARG 139 26.050 17.186 13.970 1102 H LYS 140 H LYS 140 20.315 16.978 18.819 1103 HA LYS 140 HA LYS 140 22.188 15.490 20.537 1104 HB2 LYS 140 HB2 LYS 140 19.841 15.930 21.353 1105 HB3 LYS 140 HB3 LYS 140 19.255 14.946 20.024 1106 HG2 LYS 140 HG2 LYS 140 21.264 13.561 21.575 1107 HG3 LYS 140 HG3 LYS 140 19.906 14.089 22.569 1108 HD2 LYS 140 HD2 LYS 140 18.516 13.094 20.537 1109 HD3 LYS 140 HD3 LYS 140 19.983 12.126 20.332 1110 HE2 LYS 140 HE2 LYS 140 18.376 10.976 21.758 1111 HE3 LYS 140 HE3 LYS 140 19.828 11.402 22.664 1112 HZ1 LYS 140 HZ1 LYS 140 18.591 13.392 23.479 1113 HZ2 LYS 140 HZ2 LYS 140 17.956 11.916 24.008 1114 HZ3 LYS 140 HZ3 LYS 140 17.191 12.768 22.758 1115 H ILE 141 H ILE 141 23.487 14.289 19.270 1116 HA ILE 141 HA ILE 141 22.484 13.300 16.742 1117 HB ILE 141 HB ILE 141 25.231 13.168 17.955 1118 HG12 ILE 141 HG12 ILE 141 24.538 15.454 17.381 1119 HG13 ILE 141 HG13 ILE 141 25.815 14.895 16.308 1120 HG21 ILE 141 HG21 ILE 141 24.899 11.328 16.456 1121 HG22 ILE 141 HG22 ILE 141 25.977 12.507 15.715 1122 HG23 ILE 141 HG23 ILE 141 24.292 12.413 15.210 1123 HD11 ILE 141 HD11 ILE 141 24.137 14.419 14.586 1124 HD12 ILE 141 HD12 ILE 141 24.133 16.113 15.077 1125 HD13 ILE 141 HD13 ILE 141 22.878 15.022 15.666 1126 H PHE 142 H PHE 142 21.704 11.410 16.528 1127 HA PHE 142 HA PHE 142 22.440 9.287 18.416 1128 HB2 PHE 142 HB2 PHE 142 20.172 9.775 18.890 1129 HB3 PHE 142 HB3 PHE 142 19.771 9.972 17.183 1130 HD1 PHE 142 HD1 PHE 142 21.533 7.232 18.990 1131 HD2 PHE 142 HD2 PHE 142 18.176 8.441 16.685 1132 HE1 PHE 142 HE1 PHE 142 20.796 4.893 18.841 1133 HE2 PHE 142 HE2 PHE 142 17.426 6.102 16.533 1134 HZ PHE 142 HZ PHE 142 18.740 4.324 17.613 1135 H VAL 143 H VAL 143 23.778 7.965 17.397 1136 HA VAL 143 HA VAL 143 23.306 7.366 14.560 1137 HB VAL 143 HB VAL 143 25.738 6.728 16.247 1138 HG11 VAL 143 HG11 VAL 143 26.811 6.218 14.105 1139 HG12 VAL 143 HG12 VAL 143 25.284 6.508 13.274 1140 HG13 VAL 143 HG13 VAL 143 25.430 5.162 14.405 1141 HG21 VAL 143 HG21 VAL 143 25.473 9.133 15.921 1142 HG22 VAL 143 HG22 VAL 143 25.327 8.885 14.180 1143 HG23 VAL 143 HG23 VAL 143 26.845 8.515 15.000 1144 H ALA 144 H ALA 144 21.949 5.717 14.334 1145 HA ALA 144 HA ALA 144 22.004 3.517 16.261 1146 HB1 ALA 144 HB1 ALA 144 19.827 4.462 15.703 1147 HB2 ALA 144 HB2 ALA 144 19.937 2.778 15.192 1148 HB3 ALA 144 HB3 ALA 144 20.085 4.073 14.003 1149 H THR 145 H THR 145 22.735 1.550 15.815 1150 HA THR 145 HA THR 145 23.834 1.084 13.125 1151 HB THR 145 HB THR 145 24.438 -0.489 15.637 1152 HG1 THR 145 HG1 THR 145 25.478 1.924 14.647 1153 HG21 THR 145 HG21 THR 145 25.960 -0.229 13.039 1154 HG22 THR 145 HG22 THR 145 24.918 -1.588 13.462 1155 HG23 THR 145 HG23 THR 145 26.376 -1.268 14.404 1156 H GLU 146 H GLU 146 23.105 -0.561 11.872 1157 HA GLU 146 HA GLU 146 20.651 -1.821 12.505 1158 HB2 GLU 146 HB2 GLU 146 21.516 -1.294 10.194 1159 HB3 GLU 146 HB3 GLU 146 22.609 -2.661 10.369 1160 HG2 GLU 146 HG2 GLU 146 20.745 -4.178 10.582 1161 HG3 GLU 146 HG3 GLU 146 19.608 -2.830 10.541 1162 H VAL 147 H VAL 147 20.300 -3.546 13.707 1163 HA VAL 147 HA VAL 147 22.571 -5.176 14.550 1164 HB VAL 147 HB VAL 147 19.773 -5.595 15.532 1165 HG11 VAL 147 HG11 VAL 147 20.944 -6.137 17.640 1166 HG12 VAL 147 HG12 VAL 147 22.480 -5.869 16.814 1167 HG13 VAL 147 HG13 VAL 147 21.411 -7.172 16.291 1168 HG21 VAL 147 HG21 VAL 147 20.096 -3.907 17.264 1169 HG22 VAL 147 HG22 VAL 147 20.110 -3.188 15.653 1170 HG23 VAL 147 HG23 VAL 147 21.625 -3.439 16.520 1171 H LYS 148 H LYS 148 22.206 -7.519 14.695 1172 HA LYS 148 HA LYS 148 21.373 -8.563 12.162 1173 HB2 LYS 148 HB2 LYS 148 22.081 -10.771 13.237 1174 HB3 LYS 148 HB3 LYS 148 23.328 -9.551 13.017 1175 HG2 LYS 148 HG2 LYS 148 23.023 -8.898 15.397 1176 HG3 LYS 148 HG3 LYS 148 21.903 -10.248 15.577 1177 HD2 LYS 148 HD2 LYS 148 23.639 -11.822 15.061 1178 HD3 LYS 148 HD3 LYS 148 24.758 -10.519 14.658 1179 HE2 LYS 148 HE2 LYS 148 25.246 -11.405 16.868 1180 HE3 LYS 148 HE3 LYS 148 24.679 -9.741 16.979 1181 HZ1 LYS 148 HZ1 LYS 148 22.531 -10.504 17.667 1182 HZ2 LYS 148 HZ2 LYS 148 23.697 -11.228 18.658 1183 HZ3 LYS 148 HZ3 LYS 148 22.965 -12.127 17.419 1184 H6 2W7 201 H6 2W7 201 17.685 21.034 11.338 1185 H7 2W7 201 H7 2W7 201 17.841 23.040 9.895 1186 H8 2W7 201 H8 2W7 201 20.056 23.969 9.293 1187 H9 2W7 201 H9 2W7 201 22.121 22.914 10.152 1188 H3 2W7 201 H3 2W7 201 23.360 21.491 10.079 1189 H122 2W7 201 H122 2W7 201 25.076 22.269 11.658 1190 H121 2W7 201 H121 2W7 201 24.606 20.934 12.724 1191 H4 2W7 201 H4 2W7 201 26.515 19.810 12.754 1192 HZ12 2W7 201 HZ12 2W7 201 28.940 20.786 10.966 1193 HZ11 2W7 201 HZ11 2W7 201 27.990 20.354 9.531 1194 HY1 2W7 201 HY1 2W7 201 30.386 19.876 9.183 1195 HX22 2W7 201 HX22 2W7 201 31.491 18.147 10.532 1196 HX21 2W7 201 HX21 2W7 201 30.969 19.513 11.545 1197 HY3 2W7 201 HY3 2W7 201 30.382 17.340 12.605 1198 HZ21 2W7 201 HZ21 2W7 201 28.924 19.294 12.966 1199 HZ22 2W7 201 HZ22 2W7 201 27.988 17.786 12.943 1200 HX31 2W7 201 HX31 2W7 201 30.169 16.037 10.523 1201 HX32 2W7 201 HX32 2W7 201 28.712 15.884 11.527 1202 HY2 2W7 201 HY2 2W7 201 28.113 16.273 9.162 1203 HZ32 2W7 201 HZ32 2W7 201 26.651 17.180 10.940 1204 HZ31 2W7 201 HZ31 2W7 201 26.656 18.230 9.509 1205 HX12 2W7 201 HX12 2W7 201 30.157 17.495 8.541 1206 HX11 2W7 201 HX11 2W7 201 28.709 18.421 8.102 Start of MODEL 4 1 HA MET 1 HA MET 1 4.975 -6.470 -3.371 2 HB2 MET 1 HB2 MET 1 2.957 -7.638 -5.295 3 HB3 MET 1 HB3 MET 1 4.630 -8.161 -5.211 4 HG2 MET 1 HG2 MET 1 3.327 -9.712 -3.980 5 HG3 MET 1 HG3 MET 1 4.257 -8.759 -2.826 6 HE1 MET 1 HE1 MET 1 0.719 -9.560 -4.295 7 HE2 MET 1 HE2 MET 1 0.956 -7.891 -4.812 8 HE3 MET 1 HE3 MET 1 -0.269 -8.274 -3.602 9 H GLN 2 H GLN 2 6.225 -4.858 -4.049 10 HA GLN 2 HA GLN 2 6.012 -4.053 -6.871 11 HB2 GLN 2 HB2 GLN 2 6.524 -2.340 -4.455 12 HB3 GLN 2 HB3 GLN 2 7.024 -1.834 -6.060 13 HG2 GLN 2 HG2 GLN 2 4.960 -0.783 -5.588 14 HG3 GLN 2 HG3 GLN 2 4.649 -2.034 -6.786 15 HE21 GLN 2 HE21 GLN 2 2.491 -2.118 -6.290 16 HE22 GLN 2 HE22 GLN 2 1.889 -2.812 -4.818 17 H ALA 3 H ALA 3 8.391 -2.798 -4.778 18 HA ALA 3 HA ALA 3 10.462 -4.687 -5.194 19 HB1 ALA 3 HB1 ALA 3 10.535 -2.220 -6.939 20 HB2 ALA 3 HB2 ALA 3 10.367 -3.885 -7.495 21 HB3 ALA 3 HB3 ALA 3 11.862 -3.361 -6.721 22 H LYS 4 H LYS 4 12.671 -3.423 -4.783 23 HA LYS 4 HA LYS 4 12.517 -2.192 -2.257 24 HB2 LYS 4 HB2 LYS 4 14.683 -2.474 -4.304 25 HB3 LYS 4 HB3 LYS 4 14.927 -1.405 -2.932 26 HG2 LYS 4 HG2 LYS 4 14.162 -4.298 -2.652 27 HG3 LYS 4 HG3 LYS 4 15.833 -3.729 -2.675 28 HD2 LYS 4 HD2 LYS 4 15.235 -2.216 -0.754 29 HD3 LYS 4 HD3 LYS 4 13.684 -3.049 -0.670 30 HE2 LYS 4 HE2 LYS 4 14.783 -5.148 -0.216 31 HE3 LYS 4 HE3 LYS 4 16.366 -4.411 -0.451 32 HZ1 LYS 4 HZ1 LYS 4 16.023 -4.536 1.860 33 HZ2 LYS 4 HZ2 LYS 4 14.441 -3.929 1.758 34 HZ3 LYS 4 HZ3 LYS 4 15.766 -2.914 1.461 35 HA PRO 5 HA PRO 5 11.315 1.828 -3.788 36 HB2 PRO 5 HB2 PRO 5 10.717 2.910 -1.399 37 HB3 PRO 5 HB3 PRO 5 9.665 1.726 -2.182 38 HG2 PRO 5 HG2 PRO 5 11.610 1.350 0.048 39 HG3 PRO 5 HG3 PRO 5 10.006 0.634 -0.174 40 HD2 PRO 5 HD2 PRO 5 12.386 -0.651 -0.733 41 HD3 PRO 5 HD3 PRO 5 10.821 -1.072 -1.454 42 H GLN 6 H GLN 6 12.254 3.858 -3.873 43 HA GLN 6 HA GLN 6 14.715 4.238 -2.298 44 HB2 GLN 6 HB2 GLN 6 14.101 5.266 -5.082 45 HB3 GLN 6 HB3 GLN 6 15.568 5.599 -4.174 46 HG2 GLN 6 HG2 GLN 6 14.682 2.849 -5.020 47 HG3 GLN 6 HG3 GLN 6 15.813 3.855 -5.920 48 HE21 GLN 6 HE21 GLN 6 15.319 1.954 -3.053 49 HE22 GLN 6 HE22 GLN 6 16.992 1.811 -2.613 50 H ILE 7 H ILE 7 15.235 6.781 -2.398 51 HA ILE 7 HA ILE 7 12.840 8.089 -1.354 52 HB ILE 7 HB ILE 7 15.734 8.993 -1.342 53 HG12 ILE 7 HG12 ILE 7 15.312 8.797 1.201 54 HG13 ILE 7 HG13 ILE 7 13.917 7.819 0.759 55 HG21 ILE 7 HG21 ILE 7 13.312 10.334 -0.156 56 HG22 ILE 7 HG22 ILE 7 14.298 10.931 -1.493 57 HG23 ILE 7 HG23 ILE 7 14.985 10.815 0.128 58 HD11 ILE 7 HD11 ILE 7 15.799 6.430 1.291 59 HD12 ILE 7 HD12 ILE 7 16.781 7.248 0.076 60 HD13 ILE 7 HD13 ILE 7 15.391 6.279 -0.416 61 HA PRO 8 HA PRO 8 12.684 9.996 -5.416 62 HB2 PRO 8 HB2 PRO 8 10.031 10.027 -5.636 63 HB3 PRO 8 HB3 PRO 8 10.925 8.503 -5.687 64 HG2 PRO 8 HG2 PRO 8 9.245 9.629 -3.524 65 HG3 PRO 8 HG3 PRO 8 9.590 7.938 -3.917 66 HD2 PRO 8 HD2 PRO 8 10.846 9.577 -1.927 67 HD3 PRO 8 HD3 PRO 8 11.224 7.896 -2.352 68 H LYS 9 H LYS 9 10.967 11.753 -6.252 69 HA LYS 9 HA LYS 9 11.412 14.163 -4.783 70 HB2 LYS 9 HB2 LYS 9 9.987 15.160 -6.587 71 HB3 LYS 9 HB3 LYS 9 11.365 14.248 -7.189 72 HG2 LYS 9 HG2 LYS 9 9.937 12.358 -7.679 73 HG3 LYS 9 HG3 LYS 9 8.546 13.202 -6.998 74 HD2 LYS 9 HD2 LYS 9 8.659 14.872 -8.733 75 HD3 LYS 9 HD3 LYS 9 10.145 14.162 -9.369 76 HE2 LYS 9 HE2 LYS 9 8.166 13.533 -10.691 77 HE3 LYS 9 HE3 LYS 9 8.959 12.136 -9.966 78 HZ1 LYS 9 HZ1 LYS 9 6.552 13.483 -8.861 79 HZ2 LYS 9 HZ2 LYS 9 7.280 12.081 -8.251 80 HZ3 LYS 9 HZ3 LYS 9 6.531 12.056 -9.773 81 H ASP 10 H ASP 10 8.986 11.769 -4.824 82 HA ASP 10 HA ASP 10 6.821 13.417 -3.895 83 HB2 ASP 10 HB2 ASP 10 7.200 10.461 -4.305 84 HB3 ASP 10 HB3 ASP 10 5.784 11.081 -3.463 85 H LYS 11 H LYS 11 7.012 14.277 -1.917 86 HA LYS 11 HA LYS 11 8.445 12.856 0.172 87 HB2 LYS 11 HB2 LYS 11 7.056 15.490 0.548 88 HB3 LYS 11 HB3 LYS 11 8.484 14.872 1.362 89 HG2 LYS 11 HG2 LYS 11 9.692 15.065 -0.832 90 HG3 LYS 11 HG3 LYS 11 8.278 15.929 -1.441 91 HD2 LYS 11 HD2 LYS 11 8.612 17.396 0.694 92 HD3 LYS 11 HD3 LYS 11 10.254 16.751 0.646 93 HE2 LYS 11 HE2 LYS 11 10.301 18.798 -0.544 94 HE3 LYS 11 HE3 LYS 11 10.360 17.515 -1.752 95 HZ1 LYS 11 HZ1 LYS 11 8.809 19.231 -2.419 96 HZ2 LYS 11 HZ2 LYS 11 7.948 19.065 -0.963 97 HZ3 LYS 11 HZ3 LYS 11 7.962 17.800 -2.085 98 H SER 12 H SER 12 5.190 13.677 -0.729 99 HA SER 12 HA SER 12 4.026 13.145 1.826 100 HB2 SER 12 HB2 SER 12 1.871 13.206 0.568 101 HB3 SER 12 HB3 SER 12 2.882 14.619 0.274 102 HG SER 12 HG SER 12 2.241 12.475 -1.424 103 H LYS 13 H LYS 13 5.252 11.202 -0.636 104 HA LYS 13 HA LYS 13 3.610 8.883 -0.014 105 HB2 LYS 13 HB2 LYS 13 6.105 9.048 -1.725 106 HB3 LYS 13 HB3 LYS 13 4.958 7.718 -1.671 107 HG2 LYS 13 HG2 LYS 13 4.224 10.490 -2.567 108 HG3 LYS 13 HG3 LYS 13 4.791 9.232 -3.664 109 HD2 LYS 13 HD2 LYS 13 2.912 7.826 -3.074 110 HD3 LYS 13 HD3 LYS 13 2.373 9.008 -1.878 111 HE2 LYS 13 HE2 LYS 13 1.107 9.120 -4.004 112 HE3 LYS 13 HE3 LYS 13 1.923 10.626 -3.595 113 HZ1 LYS 13 HZ1 LYS 13 2.113 9.960 -5.963 114 HZ2 LYS 13 HZ2 LYS 13 3.031 8.615 -5.484 115 HZ3 LYS 13 HZ3 LYS 13 3.606 10.189 -5.196 116 H VAL 14 H VAL 14 4.126 8.827 2.242 117 HA VAL 14 HA VAL 14 6.702 8.759 3.291 118 HB VAL 14 HB VAL 14 4.938 9.154 4.807 119 HG11 VAL 14 HG11 VAL 14 3.198 7.524 5.352 120 HG12 VAL 14 HG12 VAL 14 3.810 6.456 4.088 121 HG13 VAL 14 HG13 VAL 14 3.124 8.024 3.663 122 HG21 VAL 14 HG21 VAL 14 6.045 6.412 5.367 123 HG22 VAL 14 HG22 VAL 14 5.306 7.486 6.555 124 HG23 VAL 14 HG23 VAL 14 6.811 7.951 5.762 125 H ALA 15 H ALA 15 8.259 7.428 2.885 126 HA ALA 15 HA ALA 15 7.802 4.850 1.712 127 HB1 ALA 15 HB1 ALA 15 10.226 4.732 1.525 128 HB2 ALA 15 HB2 ALA 15 10.391 6.159 2.548 129 HB3 ALA 15 HB3 ALA 15 9.638 6.295 0.959 130 H GLY 16 H GLY 16 8.680 6.085 4.878 131 HA2 GLY 16 HA2 GLY 16 8.766 3.319 5.845 132 HA3 GLY 16 HA3 GLY 16 10.153 4.352 6.149 133 H TYR 17 H TYR 17 8.746 3.113 8.152 134 HA TYR 17 HA TYR 17 7.573 5.432 9.548 135 HB2 TYR 17 HB2 TYR 17 6.342 2.926 9.014 136 HB3 TYR 17 HB3 TYR 17 6.711 2.957 10.735 137 HD1 TYR 17 HD1 TYR 17 5.732 4.726 12.177 138 HD2 TYR 17 HD2 TYR 17 4.645 4.325 8.086 139 HE1 TYR 17 HE1 TYR 17 3.742 6.120 12.572 140 HE2 TYR 17 HE2 TYR 17 2.658 5.715 8.472 141 HH TYR 17 HH TYR 17 2.177 7.539 11.293 142 H ILE 18 H ILE 18 8.719 6.023 11.299 143 HA ILE 18 HA ILE 18 10.703 4.114 12.314 144 HB ILE 18 HB ILE 18 11.642 6.236 11.542 145 HG12 ILE 18 HG12 ILE 18 12.865 6.862 13.626 146 HG13 ILE 18 HG13 ILE 18 11.749 5.846 14.534 147 HG21 ILE 18 HG21 ILE 18 9.926 7.517 13.654 148 HG22 ILE 18 HG22 ILE 18 9.765 7.704 11.907 149 HG23 ILE 18 HG23 ILE 18 11.193 8.331 12.733 150 HD11 ILE 18 HD11 ILE 18 12.505 3.896 13.289 151 HD12 ILE 18 HD12 ILE 18 13.845 4.703 14.104 152 HD13 ILE 18 HD13 ILE 18 13.614 4.911 12.369 153 H GLU 19 H GLU 19 10.309 3.129 14.138 154 HA GLU 19 HA GLU 19 8.553 4.405 16.108 155 HB2 GLU 19 HB2 GLU 19 8.336 1.541 15.155 156 HB3 GLU 19 HB3 GLU 19 7.430 2.236 16.493 157 HG2 GLU 19 HG2 GLU 19 6.457 3.874 14.894 158 HG3 GLU 19 HG3 GLU 19 7.255 3.001 13.589 159 H ILE 20 H ILE 20 9.409 4.473 18.011 160 HA ILE 20 HA ILE 20 11.359 2.420 18.818 161 HB ILE 20 HB ILE 20 11.483 5.355 19.558 162 HG12 ILE 20 HG12 ILE 20 13.311 3.760 17.745 163 HG13 ILE 20 HG13 ILE 20 12.081 4.885 17.181 164 HG21 ILE 20 HG21 ILE 20 13.367 3.073 20.152 165 HG22 ILE 20 HG22 ILE 20 12.319 3.886 21.313 166 HG23 ILE 20 HG23 ILE 20 13.647 4.766 20.557 167 HD11 ILE 20 HD11 ILE 20 13.243 6.713 18.303 168 HD12 ILE 20 HD12 ILE 20 14.275 5.897 17.130 169 HD13 ILE 20 HD13 ILE 20 14.482 5.582 18.853 170 HA PRO 21 HA PRO 21 7.892 2.032 21.707 171 HB2 PRO 21 HB2 PRO 21 8.951 -0.193 22.945 172 HB3 PRO 21 HB3 PRO 21 7.946 -0.230 21.493 173 HG2 PRO 21 HG2 PRO 21 10.923 -0.370 21.745 174 HG3 PRO 21 HG3 PRO 21 9.845 -1.275 20.665 175 HD2 PRO 21 HD2 PRO 21 11.285 0.813 19.794 176 HD3 PRO 21 HD3 PRO 21 9.650 0.492 19.181 177 H ASP 22 H ASP 22 11.305 2.114 22.447 178 HA ASP 22 HA ASP 22 11.153 2.310 25.245 179 HB2 ASP 22 HB2 ASP 22 13.209 3.304 23.273 180 HB3 ASP 22 HB3 ASP 22 13.411 3.455 25.015 181 H ALA 23 H ALA 23 10.562 4.629 22.741 182 HA ALA 23 HA ALA 23 10.379 6.754 24.774 183 HB1 ALA 23 HB1 ALA 23 11.186 7.056 21.889 184 HB2 ALA 23 HB2 ALA 23 12.272 7.116 23.277 185 HB3 ALA 23 HB3 ALA 23 11.034 8.361 23.069 186 H ASP 24 H ASP 24 8.487 4.784 23.219 187 HA ASP 24 HA ASP 24 6.329 4.769 22.507 188 HB2 ASP 24 HB2 ASP 24 6.280 7.519 23.772 189 HB3 ASP 24 HB3 ASP 24 4.854 6.632 23.247 190 H ILE 25 H ILE 25 8.440 5.729 20.758 191 HA ILE 25 HA ILE 25 7.310 7.922 19.236 192 HB ILE 25 HB ILE 25 9.798 6.266 18.787 193 HG12 ILE 25 HG12 ILE 25 9.437 9.095 19.792 194 HG13 ILE 25 HG13 ILE 25 9.855 7.704 20.787 195 HG21 ILE 25 HG21 ILE 25 8.984 7.092 16.663 196 HG22 ILE 25 HG22 ILE 25 10.419 7.999 17.144 197 HG23 ILE 25 HG23 ILE 25 8.819 8.717 17.328 198 HD11 ILE 25 HD11 ILE 25 11.804 9.055 20.298 199 HD12 ILE 25 HD12 ILE 25 11.523 8.860 18.567 200 HD13 ILE 25 HD13 ILE 25 11.947 7.461 19.554 201 H LYS 26 H LYS 26 6.099 7.710 17.475 202 HA LYS 26 HA LYS 26 6.189 5.314 15.861 203 HB2 LYS 26 HB2 LYS 26 4.558 4.897 17.760 204 HB3 LYS 26 HB3 LYS 26 3.573 6.187 17.093 205 HG2 LYS 26 HG2 LYS 26 3.273 4.928 15.038 206 HG3 LYS 26 HG3 LYS 26 4.318 3.645 15.654 207 HD2 LYS 26 HD2 LYS 26 1.693 4.530 16.859 208 HD3 LYS 26 HD3 LYS 26 1.961 3.058 15.925 209 HE2 LYS 26 HE2 LYS 26 3.424 3.691 18.482 210 HE3 LYS 26 HE3 LYS 26 1.920 2.773 18.431 211 HZ1 LYS 26 HZ1 LYS 26 2.941 1.028 17.306 212 HZ2 LYS 26 HZ2 LYS 26 4.099 1.478 18.455 213 HZ3 LYS 26 HZ3 LYS 26 4.280 1.953 16.836 214 H GLU 27 H GLU 27 7.007 6.918 14.384 215 HA GLU 27 HA GLU 27 4.941 8.704 13.292 216 HB2 GLU 27 HB2 GLU 27 7.759 9.440 14.087 217 HB3 GLU 27 HB3 GLU 27 6.788 10.426 13.003 218 HG2 GLU 27 HG2 GLU 27 5.763 9.667 15.709 219 HG3 GLU 27 HG3 GLU 27 6.877 11.018 15.509 220 HA PRO 28 HA PRO 28 6.476 7.194 9.398 221 HB2 PRO 28 HB2 PRO 28 5.411 9.034 7.747 222 HB3 PRO 28 HB3 PRO 28 4.414 7.838 8.585 223 HG2 PRO 28 HG2 PRO 28 4.893 10.713 9.251 224 HG3 PRO 28 HG3 PRO 28 3.384 9.786 9.308 225 HD2 PRO 28 HD2 PRO 28 4.919 10.331 11.511 226 HD3 PRO 28 HD3 PRO 28 3.847 8.927 11.379 227 H VAL 29 H VAL 29 7.895 7.800 7.597 228 HA VAL 29 HA VAL 29 9.609 10.120 8.221 229 HB VAL 29 HB VAL 29 10.396 7.568 6.805 230 HG11 VAL 29 HG11 VAL 29 12.685 8.459 6.926 231 HG12 VAL 29 HG12 VAL 29 12.049 9.967 7.583 232 HG13 VAL 29 HG13 VAL 29 11.627 9.471 5.944 233 HG21 VAL 29 HG21 VAL 29 11.807 7.167 8.786 234 HG22 VAL 29 HG22 VAL 29 10.084 7.174 9.166 235 HG23 VAL 29 HG23 VAL 29 11.079 8.577 9.556 236 H TYR 30 H TYR 30 9.827 11.612 6.705 237 HA TYR 30 HA TYR 30 8.292 11.217 4.249 238 HB2 TYR 30 HB2 TYR 30 9.370 13.773 5.450 239 HB3 TYR 30 HB3 TYR 30 8.302 13.654 4.054 240 HD1 TYR 30 HD1 TYR 30 6.167 11.998 4.666 241 HD2 TYR 30 HD2 TYR 30 8.300 14.503 7.365 242 HE1 TYR 30 HE1 TYR 30 4.214 12.040 6.157 243 HE2 TYR 30 HE2 TYR 30 6.352 14.556 8.867 244 HH TYR 30 HH TYR 30 3.716 12.437 8.532 245 HA PRO 31 HA PRO 31 12.238 10.736 2.156 246 HB2 PRO 31 HB2 PRO 31 10.484 10.338 -0.164 247 HB3 PRO 31 HB3 PRO 31 11.686 9.249 0.534 248 HG2 PRO 31 HG2 PRO 31 9.042 8.789 0.740 249 HG3 PRO 31 HG3 PRO 31 10.186 8.326 2.012 250 HD2 PRO 31 HD2 PRO 31 8.323 10.662 1.896 251 HD3 PRO 31 HD3 PRO 31 8.753 9.628 3.280 252 H GLY 32 H GLY 32 13.178 12.670 1.856 253 HA2 GLY 32 HA2 GLY 32 12.864 14.123 -0.488 254 HA3 GLY 32 HA3 GLY 32 11.911 14.936 0.748 255 HA PRO 33 HA PRO 33 16.495 16.075 1.031 256 HB2 PRO 33 HB2 PRO 33 15.833 18.675 -0.098 257 HB3 PRO 33 HB3 PRO 33 17.027 17.498 -0.648 258 HG2 PRO 33 HG2 PRO 33 14.760 18.067 -2.036 259 HG3 PRO 33 HG3 PRO 33 15.559 16.486 -2.087 260 HD2 PRO 33 HD2 PRO 33 13.148 17.341 -0.531 261 HD3 PRO 33 HD3 PRO 33 13.450 15.819 -1.398 262 H ALA 34 H ALA 34 17.263 17.203 2.741 263 HA ALA 34 HA ALA 34 15.576 18.078 4.764 264 HB1 ALA 34 HB1 ALA 34 17.889 17.374 5.136 265 HB2 ALA 34 HB2 ALA 34 17.576 18.963 5.838 266 HB3 ALA 34 HB3 ALA 34 18.461 18.828 4.319 267 H THR 35 H THR 35 14.217 19.701 4.620 268 HA THR 35 HA THR 35 15.210 22.331 3.824 269 HB THR 35 HB THR 35 12.869 22.652 2.731 270 HG1 THR 35 HG1 THR 35 13.179 19.820 2.501 271 HG21 THR 35 HG21 THR 35 13.728 21.871 0.568 272 HG22 THR 35 HG22 THR 35 14.985 20.955 1.400 273 HG23 THR 35 HG23 THR 35 14.973 22.717 1.488 274 HA PRO 36 HA PRO 36 13.495 23.740 7.562 275 HB2 PRO 36 HB2 PRO 36 12.265 26.092 6.704 276 HB3 PRO 36 HB3 PRO 36 13.957 25.920 7.176 277 HG2 PRO 36 HG2 PRO 36 12.739 25.931 4.452 278 HG3 PRO 36 HG3 PRO 36 14.280 26.617 4.998 279 HD2 PRO 36 HD2 PRO 36 14.193 24.331 3.616 280 HD3 PRO 36 HD3 PRO 36 15.358 24.562 4.938 281 H GLU 37 H GLU 37 11.232 24.038 4.823 282 HA GLU 37 HA GLU 37 8.942 24.074 6.552 283 HB2 GLU 37 HB2 GLU 37 9.258 23.916 3.557 284 HB3 GLU 37 HB3 GLU 37 7.693 23.907 4.354 285 HG2 GLU 37 HG2 GLU 37 8.164 26.089 5.329 286 HG3 GLU 37 HG3 GLU 37 9.745 26.100 4.548 287 H GLN 38 H GLN 38 10.826 21.595 5.110 288 HA GLN 38 HA GLN 38 8.673 19.649 5.194 289 HB2 GLN 38 HB2 GLN 38 10.525 19.650 3.454 290 HB3 GLN 38 HB3 GLN 38 11.605 19.110 4.732 291 HG2 GLN 38 HG2 GLN 38 10.835 17.241 3.403 292 HG3 GLN 38 HG3 GLN 38 10.236 17.122 5.058 293 HE21 GLN 38 HE21 GLN 38 8.548 15.783 4.467 294 HE22 GLN 38 HE22 GLN 38 7.170 16.353 3.590 295 H LEU 39 H LEU 39 11.720 20.330 6.878 296 HA LEU 39 HA LEU 39 11.327 18.409 8.935 297 HB2 LEU 39 HB2 LEU 39 13.078 20.818 8.594 298 HB3 LEU 39 HB3 LEU 39 13.013 19.980 10.130 299 HG LEU 39 HG LEU 39 14.929 19.297 8.764 300 HD11 LEU 39 HD11 LEU 39 13.960 17.749 10.382 301 HD12 LEU 39 HD12 LEU 39 14.641 16.898 8.996 302 HD13 LEU 39 HD13 LEU 39 12.896 17.112 9.130 303 HD21 LEU 39 HD21 LEU 39 14.631 17.946 6.763 304 HD22 LEU 39 HD22 LEU 39 13.966 19.564 6.545 305 HD23 LEU 39 HD23 LEU 39 12.887 18.203 6.845 306 H ASN 40 H ASN 40 9.795 21.292 8.226 307 HA ASN 40 HA ASN 40 9.113 22.214 10.826 308 HB2 ASN 40 HB2 ASN 40 8.889 23.529 8.683 309 HB3 ASN 40 HB3 ASN 40 7.518 22.509 8.266 310 HD21 ASN 40 HD21 ASN 40 8.350 23.786 11.441 311 HD22 ASN 40 HD22 ASN 40 6.938 24.765 11.614 312 H ARG 41 H ARG 41 8.225 19.517 8.981 313 HA ARG 41 HA ARG 41 5.643 19.183 10.301 314 HB2 ARG 41 HB2 ARG 41 6.939 17.441 8.198 315 HB3 ARG 41 HB3 ARG 41 5.266 17.374 8.734 316 HG2 ARG 41 HG2 ARG 41 4.871 19.598 7.814 317 HG3 ARG 41 HG3 ARG 41 6.556 19.682 7.293 318 HD2 ARG 41 HD2 ARG 41 6.166 17.669 5.896 319 HD3 ARG 41 HD3 ARG 41 4.461 17.736 6.345 320 HE ARG 41 HE ARG 41 5.780 19.979 4.962 321 HH11 ARG 41 HH11 ARG 41 3.200 17.635 5.211 322 HH12 ARG 41 HH12 ARG 41 2.308 18.283 3.874 323 HH21 ARG 41 HH21 ARG 41 4.630 20.834 3.205 324 HH22 ARG 41 HH22 ARG 41 3.120 20.107 2.722 325 H GLY 42 H GLY 42 8.451 17.064 9.606 326 HA2 GLY 42 HA2 GLY 42 8.580 16.166 12.328 327 HA3 GLY 42 HA3 GLY 42 7.833 14.983 11.268 328 H VAL 43 H VAL 43 9.131 13.575 10.303 329 HA VAL 43 HA VAL 43 12.024 14.059 10.477 330 HB VAL 43 HB VAL 43 10.626 11.399 10.139 331 HG11 VAL 43 HG11 VAL 43 13.436 12.085 10.966 332 HG12 VAL 43 HG12 VAL 43 12.935 11.440 9.403 333 HG13 VAL 43 HG13 VAL 43 12.752 10.463 10.859 334 HG21 VAL 43 HG21 VAL 43 11.018 11.024 12.517 335 HG22 VAL 43 HG22 VAL 43 9.950 12.402 12.252 336 HG23 VAL 43 HG23 VAL 43 11.639 12.667 12.680 337 H SER 44 H SER 44 13.212 14.181 8.682 338 HA SER 44 HA SER 44 12.255 12.999 6.191 339 HB2 SER 44 HB2 SER 44 13.067 15.913 6.410 340 HB3 SER 44 HB3 SER 44 12.631 15.067 4.924 341 HG SER 44 HG SER 44 10.696 14.724 6.744 342 H PHE 45 H PHE 45 14.017 12.872 4.568 343 HA PHE 45 HA PHE 45 16.406 12.020 5.852 344 HB2 PHE 45 HB2 PHE 45 15.651 12.261 2.942 345 HB3 PHE 45 HB3 PHE 45 17.216 11.651 3.477 346 HD1 PHE 45 HD1 PHE 45 17.385 9.543 4.681 347 HD2 PHE 45 HD2 PHE 45 13.653 10.953 3.203 348 HE1 PHE 45 HE1 PHE 45 16.415 7.307 5.013 349 HE2 PHE 45 HE2 PHE 45 12.676 8.719 3.531 350 HZ PHE 45 HZ PHE 45 14.055 6.897 4.444 351 H ALA 46 H ALA 46 18.545 12.762 5.501 352 HA ALA 46 HA ALA 46 18.626 15.660 5.636 353 HB1 ALA 46 HB1 ALA 46 19.759 14.329 7.344 354 HB2 ALA 46 HB2 ALA 46 20.891 15.361 6.469 355 HB3 ALA 46 HB3 ALA 46 20.806 13.636 6.108 356 H GLU 47 H GLU 47 20.634 13.204 3.967 357 HA GLU 47 HA GLU 47 21.156 15.257 1.936 358 HB2 GLU 47 HB2 GLU 47 23.168 13.604 1.447 359 HB3 GLU 47 HB3 GLU 47 23.269 14.849 2.679 360 HG2 GLU 47 HG2 GLU 47 24.167 12.899 3.625 361 HG3 GLU 47 HG3 GLU 47 22.570 13.103 4.344 362 H GLU 48 H GLU 48 22.223 13.605 -0.058 363 HA GLU 48 HA GLU 48 19.638 12.719 -1.070 364 HB2 GLU 48 HB2 GLU 48 22.189 13.495 -2.481 365 HB3 GLU 48 HB3 GLU 48 20.740 12.930 -3.307 366 HG2 GLU 48 HG2 GLU 48 19.480 14.803 -2.436 367 HG3 GLU 48 HG3 GLU 48 20.891 15.360 -1.539 368 H ASN 49 H ASN 49 21.042 10.915 0.660 369 HA ASN 49 HA ASN 49 22.077 8.781 -0.968 370 HB2 ASN 49 HB2 ASN 49 22.280 9.217 1.644 371 HB3 ASN 49 HB3 ASN 49 20.833 8.208 1.673 372 HD21 ASN 49 HD21 ASN 49 20.946 6.123 0.754 373 HD22 ASN 49 HD22 ASN 49 22.454 5.304 0.623 374 H GLU 50 H GLU 50 20.678 8.369 -2.592 375 HA GLU 50 HA GLU 50 17.887 8.513 -2.331 376 HB2 GLU 50 HB2 GLU 50 17.847 7.643 -4.652 377 HB3 GLU 50 HB3 GLU 50 18.937 9.006 -4.433 378 HG2 GLU 50 HG2 GLU 50 20.824 7.433 -4.273 379 HG3 GLU 50 HG3 GLU 50 19.713 6.100 -4.579 380 H SER 51 H SER 51 20.005 6.018 -1.697 381 HA SER 51 HA SER 51 17.949 3.964 -1.973 382 HB2 SER 51 HB2 SER 51 20.849 3.635 -1.205 383 HB3 SER 51 HB3 SER 51 19.724 2.349 -1.634 384 HG SER 51 HG SER 51 19.535 3.613 -3.704 385 H LEU 52 H LEU 52 16.640 3.851 -0.294 386 HA LEU 52 HA LEU 52 17.530 4.463 2.382 387 HB2 LEU 52 HB2 LEU 52 15.178 3.844 3.012 388 HB3 LEU 52 HB3 LEU 52 15.314 5.170 1.869 389 HG LEU 52 HG LEU 52 14.866 3.394 0.055 390 HD11 LEU 52 HD11 LEU 52 15.194 1.420 1.459 391 HD12 LEU 52 HD12 LEU 52 13.572 1.464 0.767 392 HD13 LEU 52 HD13 LEU 52 13.823 1.904 2.457 393 HD21 LEU 52 HD21 LEU 52 12.452 3.619 0.357 394 HD22 LEU 52 HD22 LEU 52 13.290 5.139 0.677 395 HD23 LEU 52 HD23 LEU 52 12.710 4.151 2.019 396 H ASP 53 H ASP 53 17.600 1.851 0.351 397 HA ASP 53 HA ASP 53 17.638 -0.136 2.484 398 HB2 ASP 53 HB2 ASP 53 17.569 -1.765 0.694 399 HB3 ASP 53 HB3 ASP 53 16.305 -0.576 0.428 400 H ASP 54 H ASP 54 19.696 2.016 1.491 401 HA ASP 54 HA ASP 54 22.017 0.400 0.871 402 HB2 ASP 54 HB2 ASP 54 21.549 2.798 0.034 403 HB3 ASP 54 HB3 ASP 54 22.022 3.322 1.645 404 H GLN 55 H GLN 55 24.059 1.136 2.341 405 HA GLN 55 HA GLN 55 23.336 0.114 4.949 406 HB2 GLN 55 HB2 GLN 55 25.754 -0.021 5.350 407 HB3 GLN 55 HB3 GLN 55 25.299 -0.811 3.848 408 HG2 GLN 55 HG2 GLN 55 26.093 1.102 2.579 409 HG3 GLN 55 HG3 GLN 55 26.508 1.936 4.077 410 HE21 GLN 55 HE21 GLN 55 28.268 1.213 5.288 411 HE22 GLN 55 HE22 GLN 55 29.479 0.180 4.612 412 H ASN 56 H ASN 56 24.717 3.084 3.585 413 HA ASN 56 HA ASN 56 24.707 4.234 6.271 414 HB2 ASN 56 HB2 ASN 56 26.190 5.936 5.528 415 HB3 ASN 56 HB3 ASN 56 26.800 4.416 4.906 416 HD21 ASN 56 HD21 ASN 56 24.916 4.317 2.649 417 HD22 ASN 56 HD22 ASN 56 25.432 5.541 1.550 418 H ILE 57 H ILE 57 23.113 5.406 6.929 419 HA ILE 57 HA ILE 57 21.449 6.816 4.951 420 HB ILE 57 HB ILE 57 20.578 5.123 7.289 421 HG12 ILE 57 HG12 ILE 57 20.944 3.948 5.166 422 HG13 ILE 57 HG13 ILE 57 19.240 3.951 5.611 423 HG21 ILE 57 HG21 ILE 57 19.227 7.024 7.531 424 HG22 ILE 57 HG22 ILE 57 18.240 5.850 6.658 425 HG23 ILE 57 HG23 ILE 57 18.999 7.184 5.787 426 HD11 ILE 57 HD11 ILE 57 20.541 5.745 3.574 427 HD12 ILE 57 HD12 ILE 57 18.840 5.773 4.033 428 HD13 ILE 57 HD13 ILE 57 19.515 4.350 3.240 429 H SER 58 H SER 58 20.924 8.883 5.445 430 HA SER 58 HA SER 58 21.481 9.815 8.179 431 HB2 SER 58 HB2 SER 58 21.948 11.373 5.624 432 HB3 SER 58 HB3 SER 58 22.275 11.933 7.264 433 HG SER 58 HG SER 58 23.593 9.911 5.783 434 H ILE 59 H ILE 59 19.626 10.348 9.130 435 HA ILE 59 HA ILE 59 17.509 11.584 7.477 436 HB ILE 59 HB ILE 59 16.809 10.072 9.966 437 HG12 ILE 59 HG12 ILE 59 17.102 8.752 7.257 438 HG13 ILE 59 HG13 ILE 59 18.240 8.545 8.583 439 HG21 ILE 59 HG21 ILE 59 14.712 9.724 8.769 440 HG22 ILE 59 HG22 ILE 59 15.385 10.511 7.342 441 HG23 ILE 59 HG23 ILE 59 15.132 11.437 8.824 442 HD11 ILE 59 HD11 ILE 59 16.467 7.551 9.943 443 HD12 ILE 59 HD12 ILE 59 16.705 6.670 8.432 444 HD13 ILE 59 HD13 ILE 59 15.331 7.762 8.608 445 H ALA 60 H ALA 60 16.551 13.402 8.302 446 HA ALA 60 HA ALA 60 17.649 14.412 10.836 447 HB1 ALA 60 HB1 ALA 60 16.360 15.959 8.587 448 HB2 ALA 60 HB2 ALA 60 18.095 15.785 8.841 449 HB3 ALA 60 HB3 ALA 60 17.113 16.637 10.031 450 H GLY 61 H GLY 61 16.349 14.417 12.529 451 HA2 GLY 61 HA2 GLY 61 13.434 14.518 12.047 452 HA3 GLY 61 HA3 GLY 61 14.155 13.489 13.282 453 H HIS 62 H HIS 62 13.700 16.849 12.293 454 HA HIS 62 HA HIS 62 14.803 17.864 14.732 455 HB2 HIS 62 HB2 HIS 62 14.482 18.989 12.314 456 HB3 HIS 62 HB3 HIS 62 13.040 19.615 13.116 457 HD1 HIS 62 HD1 HIS 62 13.762 20.566 15.725 458 HD2 HIS 62 HD2 HIS 62 16.560 20.665 12.642 459 HE1 HIS 62 HE1 HIS 62 15.521 22.197 16.455 460 H THR 63 H THR 63 13.841 18.039 16.602 461 HA THR 63 HA THR 63 10.908 17.811 16.698 462 HB THR 63 HB THR 63 12.909 17.028 18.834 463 HG1 THR 63 HG1 THR 63 12.905 15.808 16.742 464 HG21 THR 63 HG21 THR 63 10.665 17.466 19.704 465 HG22 THR 63 HG22 THR 63 11.033 15.742 19.767 466 HG23 THR 63 HG23 THR 63 9.977 16.371 18.504 467 H PHE 64 H PHE 64 9.941 18.901 18.668 468 HA PHE 64 HA PHE 64 11.492 21.246 19.535 469 HB2 PHE 64 HB2 PHE 64 8.555 21.162 18.801 470 HB3 PHE 64 HB3 PHE 64 9.330 22.516 19.613 471 HD1 PHE 64 HD1 PHE 64 11.521 23.379 18.344 472 HD2 PHE 64 HD2 PHE 64 8.265 21.316 16.540 473 HE1 PHE 64 HE1 PHE 64 12.123 24.344 16.165 474 HE2 PHE 64 HE2 PHE 64 8.864 22.275 14.354 475 HZ PHE 64 HZ PHE 64 10.795 23.794 14.166 476 H ILE 65 H ILE 65 11.879 21.056 21.622 477 HA ILE 65 HA ILE 65 10.661 19.332 23.421 478 HB ILE 65 HB ILE 65 12.807 20.352 23.880 479 HG12 ILE 65 HG12 ILE 65 10.715 21.121 25.923 480 HG13 ILE 65 HG13 ILE 65 11.544 19.572 25.807 481 HG21 ILE 65 HG21 ILE 65 13.012 22.704 24.543 482 HG22 ILE 65 HG22 ILE 65 11.305 22.950 24.177 483 HG23 ILE 65 HG23 ILE 65 12.433 22.535 22.885 484 HD11 ILE 65 HD11 ILE 65 12.436 20.960 27.600 485 HD12 ILE 65 HD12 ILE 65 12.846 22.212 26.429 486 HD13 ILE 65 HD13 ILE 65 13.650 20.642 26.361 487 H ASP 66 H ASP 66 9.689 22.534 22.443 488 HA ASP 66 HA ASP 66 7.925 23.092 24.583 489 HB2 ASP 66 HB2 ASP 66 8.775 24.856 23.127 490 HB3 ASP 66 HB3 ASP 66 7.931 24.153 21.750 491 H ARG 67 H ARG 67 7.627 21.112 21.761 492 HA ARG 67 HA ARG 67 4.731 20.842 22.254 493 HB2 ARG 67 HB2 ARG 67 6.211 20.068 19.733 494 HB3 ARG 67 HB3 ARG 67 4.470 20.128 19.967 495 HG2 ARG 67 HG2 ARG 67 4.580 22.554 20.211 496 HG3 ARG 67 HG3 ARG 67 6.329 22.499 19.982 497 HD2 ARG 67 HD2 ARG 67 5.878 21.396 17.755 498 HD3 ARG 67 HD3 ARG 67 4.178 21.798 17.993 499 HE ARG 67 HE ARG 67 5.911 24.067 18.264 500 HH11 ARG 67 HH11 ARG 67 4.163 22.078 15.980 501 HH12 ARG 67 HH12 ARG 67 4.122 23.291 14.744 502 HH21 ARG 67 HH21 ARG 67 5.899 25.676 16.638 503 HH22 ARG 67 HH22 ARG 67 5.135 25.342 15.107 504 HA PRO 68 HA PRO 68 6.603 17.094 24.054 505 HB2 PRO 68 HB2 PRO 68 3.871 16.749 25.122 506 HB3 PRO 68 HB3 PRO 68 5.416 16.812 25.973 507 HG2 PRO 68 HG2 PRO 68 3.683 18.843 26.092 508 HG3 PRO 68 HG3 PRO 68 5.435 19.119 26.052 509 HD2 PRO 68 HD2 PRO 68 3.420 19.376 23.853 510 HD3 PRO 68 HD3 PRO 68 4.804 20.421 24.241 511 H ASN 69 H ASN 69 3.719 17.338 22.099 512 HA ASN 69 HA ASN 69 3.615 14.447 21.750 513 HB2 ASN 69 HB2 ASN 69 1.827 16.693 20.877 514 HB3 ASN 69 HB3 ASN 69 1.685 15.100 20.140 515 HD21 ASN 69 HD21 ASN 69 1.172 17.002 22.972 516 HD22 ASN 69 HD22 ASN 69 0.305 15.802 23.878 517 H TYR 70 H TYR 70 5.821 16.270 20.713 518 HA TYR 70 HA TYR 70 5.722 15.733 17.871 519 HB2 TYR 70 HB2 TYR 70 7.281 17.403 19.596 520 HB3 TYR 70 HB3 TYR 70 8.371 16.364 18.683 521 HD1 TYR 70 HD1 TYR 70 5.181 18.134 17.855 522 HD2 TYR 70 HD2 TYR 70 9.267 17.475 16.892 523 HE1 TYR 70 HE1 TYR 70 4.950 19.601 15.897 524 HE2 TYR 70 HE2 TYR 70 9.052 18.939 14.931 525 HH TYR 70 HH TYR 70 7.287 19.768 13.439 526 H GLN 71 H GLN 71 7.912 14.656 17.004 527 HA GLN 71 HA GLN 71 7.436 11.951 17.623 528 HB2 GLN 71 HB2 GLN 71 9.163 11.419 15.966 529 HB3 GLN 71 HB3 GLN 71 8.015 12.605 15.373 530 HG2 GLN 71 HG2 GLN 71 10.581 13.535 16.566 531 HG3 GLN 71 HG3 GLN 71 10.577 12.860 14.941 532 HE21 GLN 71 HE21 GLN 71 11.201 14.831 14.070 533 HE22 GLN 71 HE22 GLN 71 10.114 16.166 13.929 534 H PHE 72 H PHE 72 10.483 13.817 18.132 535 HA PHE 72 HA PHE 72 11.453 11.501 19.647 536 HB2 PHE 72 HB2 PHE 72 12.946 13.848 18.472 537 HB3 PHE 72 HB3 PHE 72 13.696 12.553 19.399 538 HD1 PHE 72 HD1 PHE 72 12.939 10.112 18.467 539 HD2 PHE 72 HD2 PHE 72 13.173 13.709 16.210 540 HE1 PHE 72 HE1 PHE 72 13.210 8.793 16.411 541 HE2 PHE 72 HE2 PHE 72 13.443 12.396 14.145 542 HZ PHE 72 HZ PHE 72 13.459 9.934 14.242 543 H THR 73 H THR 73 9.589 13.529 20.760 544 HA THR 73 HA THR 73 10.996 15.233 22.540 545 HB THR 73 HB THR 73 8.757 15.239 23.786 546 HG1 THR 73 HG1 THR 73 7.113 14.380 22.097 547 HG21 THR 73 HG21 THR 73 7.686 16.601 22.073 548 HG22 THR 73 HG22 THR 73 8.778 15.946 20.853 549 HG23 THR 73 HG23 THR 73 9.413 16.952 22.156 550 H ASN 74 H ASN 74 9.760 11.949 22.800 551 HA ASN 74 HA ASN 74 10.606 11.837 25.603 552 HB2 ASN 74 HB2 ASN 74 8.314 11.011 24.813 553 HB3 ASN 74 HB3 ASN 74 9.173 9.661 24.089 554 HD21 ASN 74 HD21 ASN 74 8.108 8.193 25.448 555 HD22 ASN 74 HD22 ASN 74 8.525 8.039 27.120 556 H LEU 75 H LEU 75 12.239 11.676 22.965 557 HA LEU 75 HA LEU 75 13.373 9.088 22.828 558 HB2 LEU 75 HB2 LEU 75 13.494 10.882 21.072 559 HB3 LEU 75 HB3 LEU 75 14.703 11.680 22.059 560 HG LEU 75 HG LEU 75 16.222 9.802 21.797 561 HD11 LEU 75 HD11 LEU 75 14.567 7.998 21.719 562 HD12 LEU 75 HD12 LEU 75 15.675 7.916 20.349 563 HD13 LEU 75 HD13 LEU 75 14.043 8.549 20.127 564 HD21 LEU 75 HD21 LEU 75 16.262 11.543 20.110 565 HD22 LEU 75 HD22 LEU 75 15.010 10.708 19.195 566 HD23 LEU 75 HD23 LEU 75 16.601 9.975 19.379 567 H LYS 76 H LYS 76 13.585 11.430 25.171 568 HA LYS 76 HA LYS 76 16.187 11.017 26.206 569 HB2 LYS 76 HB2 LYS 76 15.159 11.947 28.312 570 HB3 LYS 76 HB3 LYS 76 14.965 12.957 26.884 571 HG2 LYS 76 HG2 LYS 76 12.678 11.938 26.609 572 HG3 LYS 76 HG3 LYS 76 12.901 11.213 28.201 573 HD2 LYS 76 HD2 LYS 76 13.111 13.383 29.216 574 HD3 LYS 76 HD3 LYS 76 13.086 14.167 27.636 575 HE2 LYS 76 HE2 LYS 76 10.917 14.425 28.566 576 HE3 LYS 76 HE3 LYS 76 10.794 13.206 27.301 577 HZ1 LYS 76 HZ1 LYS 76 9.568 12.531 29.251 578 HZ2 LYS 76 HZ2 LYS 76 10.950 12.689 30.223 579 HZ3 LYS 76 HZ3 LYS 76 10.891 11.487 29.028 580 H ALA 77 H ALA 77 13.238 9.206 26.329 581 HA ALA 77 HA ALA 77 14.007 7.581 28.592 582 HB1 ALA 77 HB1 ALA 77 11.756 7.213 26.617 583 HB2 ALA 77 HB2 ALA 77 11.652 8.069 28.155 584 HB3 ALA 77 HB3 ALA 77 11.963 6.333 28.131 585 H ALA 78 H ALA 78 14.972 7.677 25.423 586 HA ALA 78 HA ALA 78 15.223 4.841 24.976 587 HB1 ALA 78 HB1 ALA 78 16.479 7.173 23.527 588 HB2 ALA 78 HB2 ALA 78 15.002 6.328 23.063 589 HB3 ALA 78 HB3 ALA 78 16.554 5.489 23.010 590 H LYS 79 H LYS 79 17.520 4.043 24.406 591 HA LYS 79 HA LYS 79 19.491 5.048 26.287 592 HB2 LYS 79 HB2 LYS 79 19.888 2.732 27.173 593 HB3 LYS 79 HB3 LYS 79 18.406 3.489 27.708 594 HG2 LYS 79 HG2 LYS 79 18.465 1.573 25.402 595 HG3 LYS 79 HG3 LYS 79 18.324 1.024 27.070 596 HD2 LYS 79 HD2 LYS 79 16.435 2.998 25.795 597 HD3 LYS 79 HD3 LYS 79 16.156 1.257 25.816 598 HE2 LYS 79 HE2 LYS 79 16.215 1.302 28.275 599 HE3 LYS 79 HE3 LYS 79 16.443 3.050 28.225 600 HZ1 LYS 79 HZ1 LYS 79 14.095 2.196 28.583 601 HZ2 LYS 79 HZ2 LYS 79 14.109 1.742 26.946 602 HZ3 LYS 79 HZ3 LYS 79 14.300 3.373 27.380 603 H LYS 80 H LYS 80 21.432 3.425 26.185 604 HA LYS 80 HA LYS 80 22.362 3.680 23.478 605 HB2 LYS 80 HB2 LYS 80 24.530 3.110 24.297 606 HB3 LYS 80 HB3 LYS 80 23.786 4.166 25.483 607 HG2 LYS 80 HG2 LYS 80 23.967 1.168 25.709 608 HG3 LYS 80 HG3 LYS 80 25.049 2.318 26.494 609 HD2 LYS 80 HD2 LYS 80 23.007 3.303 27.600 610 HD3 LYS 80 HD3 LYS 80 22.105 1.917 26.984 611 HE2 LYS 80 HE2 LYS 80 22.768 1.480 29.249 612 HE3 LYS 80 HE3 LYS 80 23.670 0.421 28.164 613 HZ1 LYS 80 HZ1 LYS 80 24.759 2.989 29.174 614 HZ2 LYS 80 HZ2 LYS 80 25.603 1.727 28.413 615 HZ3 LYS 80 HZ3 LYS 80 24.995 1.518 29.981 616 H GLY 81 H GLY 81 20.544 1.390 24.861 617 HA2 GLY 81 HA2 GLY 81 21.262 -0.480 22.763 618 HA3 GLY 81 HA3 GLY 81 21.327 -1.102 24.400 619 H SER 82 H SER 82 19.060 1.068 22.740 620 HA SER 82 HA SER 82 16.818 -0.349 23.871 621 HB2 SER 82 HB2 SER 82 15.548 1.493 22.658 622 HB3 SER 82 HB3 SER 82 16.685 2.039 23.891 623 HG SER 82 HG SER 82 16.637 2.637 21.289 624 H MET 83 H MET 83 14.989 0.144 21.796 625 HA MET 83 HA MET 83 15.998 -1.494 19.576 626 HB2 MET 83 HB2 MET 83 13.581 -1.936 21.244 627 HB3 MET 83 HB3 MET 83 13.458 -2.271 19.522 628 HG2 MET 83 HG2 MET 83 15.754 -3.376 21.041 629 HG3 MET 83 HG3 MET 83 14.173 -4.133 21.220 630 HE1 MET 83 HE1 MET 83 17.255 -3.490 18.951 631 HE2 MET 83 HE2 MET 83 16.072 -2.529 18.062 632 HE3 MET 83 HE3 MET 83 16.709 -4.017 17.358 633 H VAL 84 H VAL 84 16.045 -0.283 17.881 634 HA VAL 84 HA VAL 84 13.905 1.684 17.431 635 HB VAL 84 HB VAL 84 16.615 1.485 16.093 636 HG11 VAL 84 HG11 VAL 84 14.513 3.639 15.938 637 HG12 VAL 84 HG12 VAL 84 14.932 2.501 14.656 638 HG13 VAL 84 HG13 VAL 84 16.111 3.697 15.194 639 HG21 VAL 84 HG21 VAL 84 16.832 2.100 18.435 640 HG22 VAL 84 HG22 VAL 84 15.639 3.380 18.226 641 HG23 VAL 84 HG23 VAL 84 17.193 3.482 17.401 642 H TYR 85 H TYR 85 12.378 1.094 16.011 643 HA TYR 85 HA TYR 85 13.048 -1.058 14.125 644 HB2 TYR 85 HB2 TYR 85 10.365 -0.180 15.208 645 HB3 TYR 85 HB3 TYR 85 10.591 -1.436 13.993 646 HD1 TYR 85 HD1 TYR 85 12.451 -3.239 14.740 647 HD2 TYR 85 HD2 TYR 85 10.049 -0.910 17.366 648 HE1 TYR 85 HE1 TYR 85 12.774 -4.915 16.513 649 HE2 TYR 85 HE2 TYR 85 10.368 -2.571 19.149 650 HH TYR 85 HH TYR 85 12.713 -4.973 19.023 651 H PHE 86 H PHE 86 13.383 -0.487 12.124 652 HA PHE 86 HA PHE 86 12.044 1.928 11.119 653 HB2 PHE 86 HB2 PHE 86 14.532 1.922 11.020 654 HB3 PHE 86 HB3 PHE 86 14.456 0.517 9.961 655 HD1 PHE 86 HD1 PHE 86 12.841 3.874 10.167 656 HD2 PHE 86 HD2 PHE 86 14.760 0.964 7.725 657 HE1 PHE 86 HE1 PHE 86 12.614 5.363 8.225 658 HE2 PHE 86 HE2 PHE 86 14.534 2.451 5.774 659 HZ PHE 86 HZ PHE 86 13.457 4.654 6.026 660 H LYS 87 H LYS 87 10.225 1.417 10.200 661 HA LYS 87 HA LYS 87 9.936 -1.078 8.712 662 HB2 LYS 87 HB2 LYS 87 7.990 1.031 9.643 663 HB3 LYS 87 HB3 LYS 87 7.524 -0.346 8.663 664 HG2 LYS 87 HG2 LYS 87 7.909 -1.861 10.370 665 HG3 LYS 87 HG3 LYS 87 8.961 -0.749 11.246 666 HD2 LYS 87 HD2 LYS 87 6.656 -1.137 12.225 667 HD3 LYS 87 HD3 LYS 87 7.144 0.543 11.998 668 HE2 LYS 87 HE2 LYS 87 5.802 0.746 10.037 669 HE3 LYS 87 HE3 LYS 87 5.469 -0.991 10.014 670 HZ1 LYS 87 HZ1 LYS 87 3.621 0.361 10.907 671 HZ2 LYS 87 HZ2 LYS 87 4.627 0.857 12.184 672 HZ3 LYS 87 HZ3 LYS 87 4.203 -0.775 12.022 673 H VAL 88 H VAL 88 9.641 -1.142 6.534 674 HA VAL 88 HA VAL 88 8.938 1.233 5.067 675 HB VAL 88 HB VAL 88 11.255 1.701 5.147 676 HG11 VAL 88 HG11 VAL 88 13.002 0.121 4.492 677 HG12 VAL 88 HG12 VAL 88 11.784 -1.139 4.281 678 HG13 VAL 88 HG13 VAL 88 12.084 -0.461 5.883 679 HG21 VAL 88 HG21 VAL 88 11.939 1.554 2.801 680 HG22 VAL 88 HG22 VAL 88 10.244 2.017 2.958 681 HG23 VAL 88 HG23 VAL 88 10.669 0.366 2.507 682 H GLY 89 H GLY 89 7.398 0.537 3.821 683 HA2 GLY 89 HA2 GLY 89 6.369 -0.620 2.111 684 HA3 GLY 89 HA3 GLY 89 7.863 -1.513 1.872 685 H ASN 90 H ASN 90 8.259 -3.372 3.110 686 HA ASN 90 HA ASN 90 6.022 -4.411 4.685 687 HB2 ASN 90 HB2 ASN 90 5.808 -5.210 2.316 688 HB3 ASN 90 HB3 ASN 90 7.358 -6.019 2.496 689 HD21 ASN 90 HD21 ASN 90 4.857 -5.763 4.971 690 HD22 ASN 90 HD22 ASN 90 4.518 -7.462 5.042 691 H GLU 91 H GLU 91 9.164 -3.660 4.604 692 HA GLU 91 HA GLU 91 9.969 -5.991 6.200 693 HB2 GLU 91 HB2 GLU 91 12.299 -5.420 5.652 694 HB3 GLU 91 HB3 GLU 91 11.349 -5.741 4.211 695 HG2 GLU 91 HG2 GLU 91 11.118 -3.318 3.854 696 HG3 GLU 91 HG3 GLU 91 12.133 -3.035 5.268 697 H THR 92 H THR 92 10.951 -5.695 8.157 698 HA THR 92 HA THR 92 11.100 -2.946 9.191 699 HB THR 92 HB THR 92 10.041 -5.338 10.715 700 HG1 THR 92 HG1 THR 92 8.843 -3.509 9.069 701 HG21 THR 92 HG21 THR 92 9.472 -3.694 12.441 702 HG22 THR 92 HG22 THR 92 10.205 -2.415 11.472 703 HG23 THR 92 HG23 THR 92 11.209 -3.706 12.132 704 H ARG 93 H ARG 93 13.176 -2.597 9.544 705 HA ARG 93 HA ARG 93 14.829 -4.826 10.491 706 HB2 ARG 93 HB2 ARG 93 16.755 -3.362 9.656 707 HB3 ARG 93 HB3 ARG 93 15.748 -4.152 8.456 708 HG2 ARG 93 HG2 ARG 93 14.469 -1.808 8.624 709 HG3 ARG 93 HG3 ARG 93 16.097 -1.289 9.058 710 HD2 ARG 93 HD2 ARG 93 15.278 -2.784 6.569 711 HD3 ARG 93 HD3 ARG 93 15.784 -1.098 6.664 712 HE ARG 93 HE ARG 93 17.937 -2.326 7.649 713 HH11 ARG 93 HH11 ARG 93 15.994 -3.123 4.822 714 HH12 ARG 93 HH12 ARG 93 17.352 -3.753 3.931 715 HH21 ARG 93 HH21 ARG 93 19.679 -3.175 6.516 716 HH22 ARG 93 HH22 ARG 93 19.459 -3.780 4.900 717 H LYS 94 H LYS 94 16.417 -4.409 12.115 718 HA LYS 94 HA LYS 94 15.291 -2.529 14.077 719 HB2 LYS 94 HB2 LYS 94 17.036 -4.870 14.782 720 HB3 LYS 94 HB3 LYS 94 15.826 -4.055 15.758 721 HG2 LYS 94 HG2 LYS 94 14.046 -5.046 14.531 722 HG3 LYS 94 HG3 LYS 94 15.165 -5.703 13.336 723 HD2 LYS 94 HD2 LYS 94 15.012 -6.472 16.250 724 HD3 LYS 94 HD3 LYS 94 14.430 -7.433 14.889 725 HE2 LYS 94 HE2 LYS 94 16.757 -7.514 14.017 726 HE3 LYS 94 HE3 LYS 94 17.291 -6.660 15.466 727 HZ1 LYS 94 HZ1 LYS 94 15.994 -9.329 15.367 728 HZ2 LYS 94 HZ2 LYS 94 16.394 -8.506 16.794 729 HZ3 LYS 94 HZ3 LYS 94 17.623 -9.015 15.733 730 H TYR 95 H TYR 95 16.596 -1.163 15.193 731 HA TYR 95 HA TYR 95 19.462 -1.206 14.545 732 HB2 TYR 95 HB2 TYR 95 17.655 1.216 14.588 733 HB3 TYR 95 HB3 TYR 95 19.412 1.279 14.463 734 HD1 TYR 95 HD1 TYR 95 16.310 0.339 12.734 735 HD2 TYR 95 HD2 TYR 95 20.536 0.694 12.431 736 HE1 TYR 95 HE1 TYR 95 16.155 0.050 10.293 737 HE2 TYR 95 HE2 TYR 95 20.395 0.417 9.992 738 HH TYR 95 HH TYR 95 18.849 -0.598 8.352 739 H LYS 96 H LYS 96 20.858 -0.370 16.077 740 HA LYS 96 HA LYS 96 19.748 -0.193 18.800 741 HB2 LYS 96 HB2 LYS 96 21.141 -2.222 18.239 742 HB3 LYS 96 HB3 LYS 96 22.497 -1.148 17.954 743 HG2 LYS 96 HG2 LYS 96 22.784 -2.022 20.115 744 HG3 LYS 96 HG3 LYS 96 22.216 -0.367 20.338 745 HD2 LYS 96 HD2 LYS 96 21.102 -1.947 21.851 746 HD3 LYS 96 HD3 LYS 96 19.967 -1.167 20.750 747 HE2 LYS 96 HE2 LYS 96 19.924 -3.145 19.358 748 HE3 LYS 96 HE3 LYS 96 21.149 -3.915 20.366 749 HZ1 LYS 96 HZ1 LYS 96 19.631 -3.952 22.197 750 HZ2 LYS 96 HZ2 LYS 96 18.863 -4.658 20.862 751 HZ3 LYS 96 HZ3 LYS 96 18.469 -3.073 21.332 752 H MET 97 H MET 97 20.139 1.679 19.855 753 HA MET 97 HA MET 97 21.488 3.827 18.550 754 HB2 MET 97 HB2 MET 97 20.521 3.647 21.414 755 HB3 MET 97 HB3 MET 97 20.990 5.122 20.577 756 HG2 MET 97 HG2 MET 97 18.680 3.353 19.835 757 HG3 MET 97 HG3 MET 97 18.576 4.876 20.718 758 HE1 MET 97 HE1 MET 97 18.242 7.043 19.704 759 HE2 MET 97 HE2 MET 97 16.921 6.031 19.114 760 HE3 MET 97 HE3 MET 97 17.724 7.160 18.019 761 H THR 98 H THR 98 23.580 2.897 18.251 762 HA THR 98 HA THR 98 25.096 2.062 20.552 763 HB THR 98 HB THR 98 26.918 1.710 18.823 764 HG1 THR 98 HG1 THR 98 26.353 3.026 17.146 765 HG21 THR 98 HG21 THR 98 25.799 -0.249 17.830 766 HG22 THR 98 HG22 THR 98 24.245 0.371 18.392 767 HG23 THR 98 HG23 THR 98 25.476 -0.111 19.558 768 H SER 99 H SER 99 24.707 4.950 18.737 769 HA SER 99 HA SER 99 26.909 6.137 20.283 770 HB2 SER 99 HB2 SER 99 27.431 5.866 17.811 771 HB3 SER 99 HB3 SER 99 26.149 7.038 17.509 772 HG SER 99 HG SER 99 28.420 7.491 19.158 773 H ILE 100 H ILE 100 26.018 7.367 21.739 774 HA ILE 100 HA ILE 100 23.795 9.142 20.968 775 HB ILE 100 HB ILE 100 24.369 7.977 23.702 776 HG12 ILE 100 HG12 ILE 100 22.081 7.468 21.786 777 HG13 ILE 100 HG13 ILE 100 23.390 6.346 22.143 778 HG21 ILE 100 HG21 ILE 100 22.316 9.083 24.416 779 HG22 ILE 100 HG22 ILE 100 22.133 9.796 22.814 780 HG23 ILE 100 HG23 ILE 100 23.498 10.255 23.832 781 HD11 ILE 100 HD11 ILE 100 22.639 6.228 24.467 782 HD12 ILE 100 HD12 ILE 100 21.380 5.734 23.337 783 HD13 ILE 100 HD13 ILE 100 21.314 7.329 24.087 784 H ARG 101 H ARG 101 24.534 11.161 20.779 785 HA ARG 101 HA ARG 101 26.232 12.271 22.850 786 HB2 ARG 101 HB2 ARG 101 27.750 11.220 21.140 787 HB3 ARG 101 HB3 ARG 101 27.106 12.346 19.957 788 HG2 ARG 101 HG2 ARG 101 28.020 14.203 21.109 789 HG3 ARG 101 HG3 ARG 101 28.455 13.203 22.497 790 HD2 ARG 101 HD2 ARG 101 29.592 12.928 19.715 791 HD3 ARG 101 HD3 ARG 101 30.396 13.718 21.070 792 HE ARG 101 HE ARG 101 29.647 11.051 21.734 793 HH11 ARG 101 HH11 ARG 101 32.026 12.883 19.897 794 HH12 ARG 101 HH12 ARG 101 33.266 11.668 20.066 795 HH21 ARG 101 HH21 ARG 101 31.269 9.482 21.969 796 HH22 ARG 101 HH22 ARG 101 32.836 9.743 21.273 797 H ASP 102 H ASP 102 26.478 14.636 22.580 798 HA ASP 102 HA ASP 102 24.110 15.750 21.266 799 HB2 ASP 102 HB2 ASP 102 24.392 17.678 22.769 800 HB3 ASP 102 HB3 ASP 102 24.244 16.176 23.670 801 H VAL 103 H VAL 103 24.282 17.181 19.656 802 HA VAL 103 HA VAL 103 26.835 17.593 18.437 803 HB VAL 103 HB VAL 103 25.571 19.032 16.809 804 HG11 VAL 103 HG11 VAL 103 24.345 17.163 15.789 805 HG12 VAL 103 HG12 VAL 103 24.498 16.257 17.294 806 HG13 VAL 103 HG13 VAL 103 25.940 16.675 16.367 807 HG21 VAL 103 HG21 VAL 103 23.104 18.934 16.886 808 HG22 VAL 103 HG22 VAL 103 23.792 19.819 18.248 809 HG23 VAL 103 HG23 VAL 103 23.207 18.171 18.474 810 H LYS 104 H LYS 104 28.068 19.399 18.377 811 HA LYS 104 HA LYS 104 27.194 21.729 19.932 812 HB2 LYS 104 HB2 LYS 104 29.799 20.223 20.238 813 HB3 LYS 104 HB3 LYS 104 29.525 21.831 20.888 814 HG2 LYS 104 HG2 LYS 104 27.848 21.020 22.381 815 HG3 LYS 104 HG3 LYS 104 27.873 19.427 21.619 816 HD2 LYS 104 HD2 LYS 104 29.123 19.476 23.746 817 HD3 LYS 104 HD3 LYS 104 30.147 19.067 22.366 818 HE2 LYS 104 HE2 LYS 104 30.830 21.473 22.273 819 HE3 LYS 104 HE3 LYS 104 29.952 21.722 23.782 820 HZ1 LYS 104 HZ1 LYS 104 31.405 20.212 24.901 821 HZ2 LYS 104 HZ2 LYS 104 32.367 21.331 24.064 822 HZ3 LYS 104 HZ3 LYS 104 32.163 19.767 23.446 823 HA PRO 105 HA PRO 105 29.133 23.952 16.576 824 HB2 PRO 105 HB2 PRO 105 29.565 26.214 18.363 825 HB3 PRO 105 HB3 PRO 105 28.439 26.071 17.013 826 HG2 PRO 105 HG2 PRO 105 27.632 26.188 19.602 827 HG3 PRO 105 HG3 PRO 105 26.728 25.324 18.346 828 HD2 PRO 105 HD2 PRO 105 28.580 24.238 20.435 829 HD3 PRO 105 HD3 PRO 105 27.032 23.586 19.851 830 H THR 106 H THR 106 30.959 22.347 17.019 831 HA THR 106 HA THR 106 33.349 23.863 17.692 832 HB THR 106 HB THR 106 32.916 22.826 19.791 833 HG1 THR 106 HG1 THR 106 35.105 22.650 18.873 834 HG21 THR 106 HG21 THR 106 31.325 21.113 19.077 835 HG22 THR 106 HG22 THR 106 32.595 20.421 20.085 836 HG23 THR 106 HG23 THR 106 32.639 20.192 18.338 837 H ASP 107 H ASP 107 33.954 23.856 15.580 838 HA ASP 107 HA ASP 107 34.943 23.159 13.681 839 HB2 ASP 107 HB2 ASP 107 35.890 20.973 15.536 840 HB3 ASP 107 HB3 ASP 107 36.560 21.309 13.949 841 H VAL 108 H VAL 108 32.385 22.609 13.556 842 HA VAL 108 HA VAL 108 31.539 19.990 13.248 843 HB VAL 108 HB VAL 108 30.361 22.373 13.331 844 HG11 VAL 108 HG11 VAL 108 31.037 23.067 11.105 845 HG12 VAL 108 HG12 VAL 108 29.283 22.930 11.225 846 HG13 VAL 108 HG13 VAL 108 30.211 21.672 10.406 847 HG21 VAL 108 HG21 VAL 108 29.196 19.928 12.052 848 HG22 VAL 108 HG22 VAL 108 28.287 21.256 12.777 849 HG23 VAL 108 HG23 VAL 108 29.341 20.256 13.777 850 H GLU 109 H GLU 109 33.638 21.765 11.270 851 HA GLU 109 HA GLU 109 32.981 20.223 8.860 852 HB2 GLU 109 HB2 GLU 109 34.561 21.840 7.741 853 HB3 GLU 109 HB3 GLU 109 33.114 22.569 8.426 854 HG2 GLU 109 HG2 GLU 109 34.330 23.397 10.298 855 HG3 GLU 109 HG3 GLU 109 35.770 22.494 9.831 856 H VAL 110 H VAL 110 34.308 19.029 11.143 857 HA VAL 110 HA VAL 110 37.113 18.818 10.437 858 HB VAL 110 HB VAL 110 36.260 18.949 12.811 859 HG11 VAL 110 HG11 VAL 110 34.368 17.439 12.604 860 HG12 VAL 110 HG12 VAL 110 35.474 16.895 13.865 861 HG13 VAL 110 HG13 VAL 110 35.463 16.091 12.296 862 HG21 VAL 110 HG21 VAL 110 38.537 18.243 12.304 863 HG22 VAL 110 HG22 VAL 110 37.989 16.578 12.121 864 HG23 VAL 110 HG23 VAL 110 37.897 17.368 13.695 865 H LEU 111 H LEU 111 34.324 17.317 9.425 866 HA LEU 111 HA LEU 111 35.094 14.586 9.470 867 HB2 LEU 111 HB2 LEU 111 32.950 16.083 7.985 868 HB3 LEU 111 HB3 LEU 111 33.204 14.364 7.759 869 HG LEU 111 HG LEU 111 31.397 14.644 9.290 870 HD11 LEU 111 HD11 LEU 111 32.929 12.821 9.789 871 HD12 LEU 111 HD12 LEU 111 32.218 13.479 11.263 872 HD13 LEU 111 HD13 LEU 111 33.876 13.889 10.823 873 HD21 LEU 111 HD21 LEU 111 31.606 15.861 11.404 874 HD22 LEU 111 HD22 LEU 111 31.838 16.929 10.018 875 HD23 LEU 111 HD23 LEU 111 33.230 16.374 10.948 876 H ASP 112 H ASP 112 36.181 13.376 8.063 877 HA ASP 112 HA ASP 112 37.072 14.637 5.559 878 HB2 ASP 112 HB2 ASP 112 38.873 12.868 5.567 879 HB3 ASP 112 HB3 ASP 112 38.983 14.051 6.863 880 H GLU 113 H GLU 113 37.889 12.235 4.256 881 HA GLU 113 HA GLU 113 35.229 11.319 3.445 882 HB2 GLU 113 HB2 GLU 113 37.876 11.062 2.020 883 HB3 GLU 113 HB3 GLU 113 36.312 10.590 1.376 884 HG2 GLU 113 HG2 GLU 113 35.591 12.938 1.470 885 HG3 GLU 113 HG3 GLU 113 37.198 13.386 2.047 886 H GLN 114 H GLN 114 36.947 10.182 5.765 887 HA GLN 114 HA GLN 114 37.725 7.594 4.821 888 HB2 GLN 114 HB2 GLN 114 37.196 8.453 7.668 889 HB3 GLN 114 HB3 GLN 114 38.023 6.985 7.164 890 HG2 GLN 114 HG2 GLN 114 38.946 9.818 6.916 891 HG3 GLN 114 HG3 GLN 114 39.689 8.496 7.807 892 HE21 GLN 114 HE21 GLN 114 40.757 10.290 5.769 893 HE22 GLN 114 HE22 GLN 114 41.365 9.279 4.510 894 H LYS 115 H LYS 115 36.441 6.056 4.248 895 HA LYS 115 HA LYS 115 33.626 6.196 4.810 896 HB2 LYS 115 HB2 LYS 115 35.284 4.208 3.254 897 HB3 LYS 115 HB3 LYS 115 33.546 4.054 3.460 898 HG2 LYS 115 HG2 LYS 115 33.239 6.233 2.362 899 HG3 LYS 115 HG3 LYS 115 34.982 6.333 2.114 900 HD2 LYS 115 HD2 LYS 115 34.934 4.353 0.721 901 HD3 LYS 115 HD3 LYS 115 33.215 4.129 1.048 902 HE2 LYS 115 HE2 LYS 115 32.728 6.253 -0.066 903 HE3 LYS 115 HE3 LYS 115 34.448 6.483 -0.385 904 HZ1 LYS 115 HZ1 LYS 115 32.705 4.337 -1.482 905 HZ2 LYS 115 HZ2 LYS 115 34.384 4.404 -1.690 906 HZ3 LYS 115 HZ3 LYS 115 33.409 5.618 -2.341 907 H GLY 116 H GLY 116 34.164 6.049 7.190 908 HA2 GLY 116 HA2 GLY 116 34.394 3.310 8.164 909 HA3 GLY 116 HA3 GLY 116 34.201 4.762 9.146 910 H LYS 117 H LYS 117 32.321 3.461 6.454 911 HA LYS 117 HA LYS 117 29.875 4.057 7.925 912 HB2 LYS 117 HB2 LYS 117 30.141 3.120 5.074 913 HB3 LYS 117 HB3 LYS 117 28.748 3.881 5.819 914 HG2 LYS 117 HG2 LYS 117 31.385 5.275 5.452 915 HG3 LYS 117 HG3 LYS 117 30.080 5.320 4.271 916 HD2 LYS 117 HD2 LYS 117 28.592 6.256 6.023 917 HD3 LYS 117 HD3 LYS 117 29.981 6.322 7.113 918 HE2 LYS 117 HE2 LYS 117 31.128 7.838 5.616 919 HE3 LYS 117 HE3 LYS 117 29.824 7.707 4.437 920 HZ1 LYS 117 HZ1 LYS 117 29.625 9.734 5.690 921 HZ2 LYS 117 HZ2 LYS 117 29.621 8.893 7.156 922 HZ3 LYS 117 HZ3 LYS 117 28.323 8.717 6.068 923 H ASP 118 H ASP 118 28.096 2.527 7.799 924 HA ASP 118 HA ASP 118 28.476 -0.172 6.985 925 HB2 ASP 118 HB2 ASP 118 29.559 0.136 9.412 926 HB3 ASP 118 HB3 ASP 118 27.877 -0.002 9.911 927 H LYS 119 H LYS 119 26.365 -1.319 8.451 928 HA LYS 119 HA LYS 119 24.130 0.094 7.288 929 HB2 LYS 119 HB2 LYS 119 24.287 -2.404 8.976 930 HB3 LYS 119 HB3 LYS 119 22.767 -1.718 8.435 931 HG2 LYS 119 HG2 LYS 119 23.039 -3.217 6.777 932 HG3 LYS 119 HG3 LYS 119 23.997 -1.915 6.073 933 HD2 LYS 119 HD2 LYS 119 25.423 -3.742 7.900 934 HD3 LYS 119 HD3 LYS 119 24.890 -4.436 6.369 935 HE2 LYS 119 HE2 LYS 119 26.130 -2.846 5.121 936 HE3 LYS 119 HE3 LYS 119 26.440 -1.867 6.554 937 HZ1 LYS 119 HZ1 LYS 119 27.454 -4.631 6.174 938 HZ2 LYS 119 HZ2 LYS 119 27.849 -3.554 7.430 939 HZ3 LYS 119 HZ3 LYS 119 28.355 -3.229 5.842 940 H GLN 120 H GLN 120 23.612 1.969 8.269 941 HA GLN 120 HA GLN 120 22.638 1.864 10.973 942 HB2 GLN 120 HB2 GLN 120 24.111 3.779 11.724 943 HB3 GLN 120 HB3 GLN 120 24.886 2.212 11.599 944 HG2 GLN 120 HG2 GLN 120 26.453 3.661 10.703 945 HG3 GLN 120 HG3 GLN 120 25.656 3.002 9.278 946 HE21 GLN 120 HE21 GLN 120 26.006 5.792 11.329 947 HE22 GLN 120 HE22 GLN 120 25.358 6.948 10.216 948 H LEU 121 H LEU 121 21.593 3.855 11.652 949 HA LEU 121 HA LEU 121 20.957 5.642 9.392 950 HB2 LEU 121 HB2 LEU 121 19.163 5.308 11.781 951 HB3 LEU 121 HB3 LEU 121 18.785 5.991 10.210 952 HG LEU 121 HG LEU 121 19.254 3.056 10.760 953 HD11 LEU 121 HD11 LEU 121 16.851 2.833 10.411 954 HD12 LEU 121 HD12 LEU 121 16.708 4.582 10.229 955 HD13 LEU 121 HD13 LEU 121 17.196 3.894 11.778 956 HD21 LEU 121 HD21 LEU 121 18.407 2.739 8.487 957 HD22 LEU 121 HD22 LEU 121 19.883 3.704 8.493 958 HD23 LEU 121 HD23 LEU 121 18.317 4.488 8.274 959 H THR 122 H THR 122 21.971 7.507 9.649 960 HA THR 122 HA THR 122 22.742 8.476 12.260 961 HB THR 122 HB THR 122 22.917 9.991 9.654 962 HG1 THR 122 HG1 THR 122 24.018 8.186 9.142 963 HG21 THR 122 HG21 THR 122 24.578 10.059 12.177 964 HG22 THR 122 HG22 THR 122 23.405 11.273 11.673 965 HG23 THR 122 HG23 THR 122 24.875 11.025 10.732 966 H LEU 123 H LEU 123 21.068 9.192 13.476 967 HA LEU 123 HA LEU 123 18.913 10.678 12.167 968 HB2 LEU 123 HB2 LEU 123 19.103 9.356 14.867 969 HB3 LEU 123 HB3 LEU 123 17.744 10.350 14.378 970 HG LEU 123 HG LEU 123 18.627 7.806 13.008 971 HD11 LEU 123 HD11 LEU 123 16.548 6.871 13.896 972 HD12 LEU 123 HD12 LEU 123 16.254 8.368 14.782 973 HD13 LEU 123 HD13 LEU 123 17.644 7.362 15.189 974 HD21 LEU 123 HD21 LEU 123 16.218 9.556 12.547 975 HD22 LEU 123 HD22 LEU 123 16.566 8.030 11.736 976 HD23 LEU 123 HD23 LEU 123 17.616 9.423 11.482 977 H ILE 124 H ILE 124 19.314 12.748 12.025 978 HA ILE 124 HA ILE 124 20.737 14.218 14.067 979 HB ILE 124 HB ILE 124 19.210 15.309 11.693 980 HG12 ILE 124 HG12 ILE 124 22.139 14.563 11.868 981 HG13 ILE 124 HG13 ILE 124 20.915 13.630 11.012 982 HG21 ILE 124 HG21 ILE 124 20.726 17.225 11.926 983 HG22 ILE 124 HG22 ILE 124 21.446 16.471 13.350 984 HG23 ILE 124 HG23 ILE 124 19.755 16.974 13.380 985 HD11 ILE 124 HD11 ILE 124 22.227 14.986 9.486 986 HD12 ILE 124 HD12 ILE 124 21.767 16.445 10.366 987 HD13 ILE 124 HD13 ILE 124 20.545 15.513 9.504 988 H THR 125 H THR 125 19.591 14.300 15.938 989 HA THR 125 HA THR 125 16.713 14.849 15.790 990 HB THR 125 HB THR 125 16.789 13.965 18.212 991 HG1 THR 125 HG1 THR 125 19.073 12.548 17.419 992 HG21 THR 125 HG21 THR 125 16.655 11.653 17.443 993 HG22 THR 125 HG22 THR 125 17.448 12.093 15.931 994 HG23 THR 125 HG23 THR 125 15.843 12.727 16.302 995 H CYS 126 H CYS 126 18.099 17.093 15.458 996 HA CYS 126 HA CYS 126 18.712 18.420 17.911 997 HB2 CYS 126 HB2 CYS 126 18.142 19.654 15.208 998 HB3 CYS 126 HB3 CYS 126 19.014 20.397 16.548 999 H ASP 127 H ASP 127 17.550 20.241 18.789 1000 HA ASP 127 HA ASP 127 14.616 19.907 18.537 1001 HB2 ASP 127 HB2 ASP 127 15.731 18.989 20.627 1002 HB3 ASP 127 HB3 ASP 127 16.179 20.641 21.021 1003 H ASP 128 H ASP 128 17.116 22.035 19.788 1004 HA ASP 128 HA ASP 128 15.794 24.461 19.771 1005 HB2 ASP 128 HB2 ASP 128 18.166 25.390 19.474 1006 HB3 ASP 128 HB3 ASP 128 17.894 24.336 20.858 1007 H TYR 129 H TYR 129 14.960 25.623 18.196 1008 HA TYR 129 HA TYR 129 16.192 26.001 15.655 1009 HB2 TYR 129 HB2 TYR 129 15.286 23.752 15.290 1010 HB3 TYR 129 HB3 TYR 129 13.691 24.303 15.778 1011 HD1 TYR 129 HD1 TYR 129 16.272 24.569 13.148 1012 HD2 TYR 129 HD2 TYR 129 12.246 25.387 14.243 1013 HE1 TYR 129 HE1 TYR 129 15.746 25.088 10.804 1014 HE2 TYR 129 HE2 TYR 129 11.710 25.918 11.906 1015 HH TYR 129 HH TYR 129 12.851 26.615 9.867 1016 H ASN 130 H ASN 130 15.807 28.130 15.512 1017 HA ASN 130 HA ASN 130 13.151 29.156 16.131 1018 HB2 ASN 130 HB2 ASN 130 15.078 30.577 16.695 1019 HB3 ASN 130 HB3 ASN 130 15.584 30.577 15.007 1020 HD21 ASN 130 HD21 ASN 130 15.411 32.784 14.772 1021 HD22 ASN 130 HD22 ASN 130 13.892 33.609 14.753 1022 H GLU 131 H GLU 131 11.616 28.811 14.687 1023 HA GLU 131 HA GLU 131 12.151 27.842 12.098 1024 HB2 GLU 131 HB2 GLU 131 9.689 28.066 11.775 1025 HB3 GLU 131 HB3 GLU 131 10.159 27.175 13.213 1026 HG2 GLU 131 HG2 GLU 131 9.876 29.374 14.462 1027 HG3 GLU 131 HG3 GLU 131 9.045 29.944 13.015 1028 H LYS 132 H LYS 132 11.885 31.037 13.276 1029 HA LYS 132 HA LYS 132 11.067 32.376 10.936 1030 HB2 LYS 132 HB2 LYS 132 11.406 33.207 13.401 1031 HB3 LYS 132 HB3 LYS 132 13.036 33.567 12.860 1032 HG2 LYS 132 HG2 LYS 132 10.592 34.609 11.460 1033 HG3 LYS 132 HG3 LYS 132 11.378 35.463 12.785 1034 HD2 LYS 132 HD2 LYS 132 13.419 35.645 11.516 1035 HD3 LYS 132 HD3 LYS 132 12.745 34.647 10.226 1036 HE2 LYS 132 HE2 LYS 132 12.682 37.017 9.638 1037 HE3 LYS 132 HE3 LYS 132 11.059 36.346 9.773 1038 HZ1 LYS 132 HZ1 LYS 132 11.085 38.455 10.836 1039 HZ2 LYS 132 HZ2 LYS 132 12.459 38.067 11.748 1040 HZ3 LYS 132 HZ3 LYS 132 10.986 37.286 12.056 1041 H THR 133 H THR 133 14.296 31.579 12.183 1042 HA THR 133 HA THR 133 15.463 32.552 9.678 1043 HB THR 133 HB THR 133 17.628 32.446 10.947 1044 HG1 THR 133 HG1 THR 133 17.574 32.042 13.124 1045 HG21 THR 133 HG21 THR 133 15.434 34.146 12.142 1046 HG22 THR 133 HG22 THR 133 16.409 34.545 10.726 1047 HG23 THR 133 HG23 THR 133 17.167 34.436 12.313 1048 H GLY 134 H GLY 134 15.180 29.707 11.705 1049 HA2 GLY 134 HA2 GLY 134 15.500 27.480 11.042 1050 HA3 GLY 134 HA3 GLY 134 16.296 28.053 9.580 1051 H VAL 135 H VAL 135 16.932 28.739 13.005 1052 HA VAL 135 HA VAL 135 19.753 28.235 12.491 1053 HB VAL 135 HB VAL 135 19.181 30.390 13.474 1054 HG11 VAL 135 HG11 VAL 135 18.188 28.797 15.824 1055 HG12 VAL 135 HG12 VAL 135 17.192 29.726 14.704 1056 HG13 VAL 135 HG13 VAL 135 18.340 30.552 15.757 1057 HG21 VAL 135 HG21 VAL 135 21.365 29.472 13.967 1058 HG22 VAL 135 HG22 VAL 135 20.709 28.591 15.345 1059 HG23 VAL 135 HG23 VAL 135 20.754 30.353 15.367 1060 H TRP 136 H TRP 136 20.992 26.851 13.633 1061 HA TRP 136 HA TRP 136 19.700 25.080 15.593 1062 HB2 TRP 136 HB2 TRP 136 21.906 24.223 13.716 1063 HB3 TRP 136 HB3 TRP 136 20.871 23.202 14.707 1064 HD1 TRP 136 HD1 TRP 136 18.195 23.141 13.894 1065 HE1 TRP 136 HE1 TRP 136 17.254 23.139 11.494 1066 HE3 TRP 136 HE3 TRP 136 22.264 24.990 11.420 1067 HZ2 TRP 136 HZ2 TRP 136 18.118 23.835 8.901 1068 HZ3 TRP 136 HZ3 TRP 136 22.126 25.300 8.982 1069 HH2 TRP 136 HH2 TRP 136 20.095 24.733 7.749 1070 H GLU 137 H GLU 137 20.925 24.667 17.441 1071 HA GLU 137 HA GLU 137 23.469 26.156 17.598 1072 HB2 GLU 137 HB2 GLU 137 21.529 25.661 19.857 1073 HB3 GLU 137 HB3 GLU 137 22.988 26.641 19.914 1074 HG2 GLU 137 HG2 GLU 137 21.994 28.214 18.339 1075 HG3 GLU 137 HG3 GLU 137 20.531 27.231 18.279 1076 H LYS 138 H LYS 138 21.688 23.599 19.363 1077 HA LYS 138 HA LYS 138 23.742 21.675 19.297 1078 HB2 LYS 138 HB2 LYS 138 24.633 21.875 21.593 1079 HB3 LYS 138 HB3 LYS 138 25.036 23.284 20.618 1080 HG2 LYS 138 HG2 LYS 138 23.128 24.479 21.647 1081 HG3 LYS 138 HG3 LYS 138 22.865 23.082 22.689 1082 HD2 LYS 138 HD2 LYS 138 25.149 23.363 23.582 1083 HD3 LYS 138 HD3 LYS 138 25.331 24.815 22.592 1084 HE2 LYS 138 HE2 LYS 138 23.353 24.358 24.821 1085 HE3 LYS 138 HE3 LYS 138 24.714 25.481 24.817 1086 HZ1 LYS 138 HZ1 LYS 138 22.335 25.647 23.035 1087 HZ2 LYS 138 HZ2 LYS 138 23.637 26.734 23.052 1088 HZ3 LYS 138 HZ3 LYS 138 22.616 26.613 24.397 1089 H ARG 139 H ARG 139 22.837 19.765 19.904 1090 HA ARG 139 HA ARG 139 20.956 19.621 22.054 1091 HB2 ARG 139 HB2 ARG 139 19.540 20.499 20.226 1092 HB3 ARG 139 HB3 ARG 139 19.907 19.060 19.285 1093 HG2 ARG 139 HG2 ARG 139 17.723 18.919 20.366 1094 HG3 ARG 139 HG3 ARG 139 18.820 17.665 20.944 1095 HD2 ARG 139 HD2 ARG 139 19.087 18.680 23.016 1096 HD3 ARG 139 HD3 ARG 139 18.571 20.258 22.419 1097 HE ARG 139 HE ARG 139 16.369 18.687 22.116 1098 HH11 ARG 139 HH11 ARG 139 18.446 19.360 24.850 1099 HH12 ARG 139 HH12 ARG 139 17.138 19.368 25.994 1100 HH21 ARG 139 HH21 ARG 139 14.648 18.698 23.591 1101 HH22 ARG 139 HH22 ARG 139 14.973 18.932 25.288 1102 H LYS 140 H LYS 140 21.131 17.594 19.101 1103 HA LYS 140 HA LYS 140 22.212 15.387 20.628 1104 HB2 LYS 140 HB2 LYS 140 19.322 15.792 20.260 1105 HB3 LYS 140 HB3 LYS 140 19.902 14.179 19.866 1106 HG2 LYS 140 HG2 LYS 140 20.430 15.585 22.466 1107 HG3 LYS 140 HG3 LYS 140 19.118 14.434 22.193 1108 HD2 LYS 140 HD2 LYS 140 20.796 12.741 21.535 1109 HD3 LYS 140 HD3 LYS 140 22.071 13.892 21.937 1110 HE2 LYS 140 HE2 LYS 140 21.672 12.318 23.775 1111 HE3 LYS 140 HE3 LYS 140 21.302 13.977 24.247 1112 HZ1 LYS 140 HZ1 LYS 140 18.912 13.318 23.538 1113 HZ2 LYS 140 HZ2 LYS 140 19.500 12.837 25.052 1114 HZ3 LYS 140 HZ3 LYS 140 19.463 11.734 23.767 1115 H ILE 141 H ILE 141 23.083 13.829 19.343 1116 HA ILE 141 HA ILE 141 21.891 13.403 16.751 1117 HB ILE 141 HB ILE 141 23.946 14.495 16.275 1118 HG12 ILE 141 HG12 ILE 141 24.427 11.529 16.141 1119 HG13 ILE 141 HG13 ILE 141 23.477 12.470 15.000 1120 HG21 ILE 141 HG21 ILE 141 26.099 13.796 17.234 1121 HG22 ILE 141 HG22 ILE 141 25.257 12.621 18.245 1122 HG23 ILE 141 HG23 ILE 141 24.974 14.347 18.477 1123 HD11 ILE 141 HD11 ILE 141 25.442 13.743 14.391 1124 HD12 ILE 141 HD12 ILE 141 25.726 12.013 14.164 1125 HD13 ILE 141 HD13 ILE 141 26.392 12.847 15.572 1126 H PHE 142 H PHE 142 21.566 11.259 16.243 1127 HA PHE 142 HA PHE 142 22.577 9.260 18.156 1128 HB2 PHE 142 HB2 PHE 142 19.785 9.555 17.065 1129 HB3 PHE 142 HB3 PHE 142 20.381 8.017 17.677 1130 HD1 PHE 142 HD1 PHE 142 19.381 11.423 18.560 1131 HD2 PHE 142 HD2 PHE 142 20.745 7.669 20.027 1132 HE1 PHE 142 HE1 PHE 142 18.750 12.085 20.842 1133 HE2 PHE 142 HE2 PHE 142 20.113 8.325 22.311 1134 HZ PHE 142 HZ PHE 142 19.115 10.537 22.723 1135 H VAL 143 H VAL 143 23.736 7.730 17.196 1136 HA VAL 143 HA VAL 143 23.157 7.123 14.369 1137 HB VAL 143 HB VAL 143 25.702 6.515 15.879 1138 HG11 VAL 143 HG11 VAL 143 26.617 5.989 13.669 1139 HG12 VAL 143 HG12 VAL 143 25.029 6.268 12.952 1140 HG13 VAL 143 HG13 VAL 143 25.265 4.937 14.085 1141 HG21 VAL 143 HG21 VAL 143 25.452 8.909 15.576 1142 HG22 VAL 143 HG22 VAL 143 25.133 8.673 13.856 1143 HG23 VAL 143 HG23 VAL 143 26.719 8.282 14.520 1144 H ALA 144 H ALA 144 21.836 5.456 14.268 1145 HA ALA 144 HA ALA 144 22.052 3.327 16.275 1146 HB1 ALA 144 HB1 ALA 144 19.817 2.668 15.577 1147 HB2 ALA 144 HB2 ALA 144 19.837 3.881 14.298 1148 HB3 ALA 144 HB3 ALA 144 19.850 4.382 15.989 1149 H THR 145 H THR 145 23.264 1.656 15.720 1150 HA THR 145 HA THR 145 23.782 1.005 12.948 1151 HB THR 145 HB THR 145 24.681 -0.502 15.409 1152 HG1 THR 145 HG1 THR 145 25.576 1.453 15.741 1153 HG21 THR 145 HG21 THR 145 26.536 -1.212 13.956 1154 HG22 THR 145 HG22 THR 145 25.810 -0.332 12.612 1155 HG23 THR 145 HG23 THR 145 24.973 -1.719 13.312 1156 H GLU 146 H GLU 146 23.102 -0.851 11.884 1157 HA GLU 146 HA GLU 146 20.553 -1.818 12.654 1158 HB2 GLU 146 HB2 GLU 146 21.352 -1.543 10.303 1159 HB3 GLU 146 HB3 GLU 146 22.390 -2.943 10.541 1160 HG2 GLU 146 HG2 GLU 146 20.548 -4.398 10.757 1161 HG3 GLU 146 HG3 GLU 146 19.415 -3.058 10.922 1162 H VAL 147 H VAL 147 19.973 -3.507 13.801 1163 HA VAL 147 HA VAL 147 22.048 -5.221 14.949 1164 HB VAL 147 HB VAL 147 19.156 -5.454 15.694 1165 HG11 VAL 147 HG11 VAL 147 21.737 -5.671 17.236 1166 HG12 VAL 147 HG12 VAL 147 20.675 -6.994 16.748 1167 HG13 VAL 147 HG13 VAL 147 20.131 -5.820 17.947 1168 HG21 VAL 147 HG21 VAL 147 19.353 -3.637 17.294 1169 HG22 VAL 147 HG22 VAL 147 19.556 -3.051 15.643 1170 HG23 VAL 147 HG23 VAL 147 20.964 -3.264 16.685 1171 H LYS 148 H LYS 148 21.446 -7.538 15.217 1172 HA LYS 148 HA LYS 148 20.578 -8.582 12.668 1173 HB2 LYS 148 HB2 LYS 148 21.540 -10.699 13.343 1174 HB3 LYS 148 HB3 LYS 148 22.704 -9.410 13.588 1175 HG2 LYS 148 HG2 LYS 148 20.998 -10.313 15.851 1176 HG3 LYS 148 HG3 LYS 148 22.392 -11.274 15.371 1177 HD2 LYS 148 HD2 LYS 148 22.405 -8.395 16.285 1178 HD3 LYS 148 HD3 LYS 148 23.005 -9.787 17.173 1179 HE2 LYS 148 HE2 LYS 148 24.693 -10.155 15.422 1180 HE3 LYS 148 HE3 LYS 148 24.112 -8.721 14.576 1181 HZ1 LYS 148 HZ1 LYS 148 26.069 -8.242 15.925 1182 HZ2 LYS 148 HZ2 LYS 148 25.256 -8.756 17.322 1183 HZ3 LYS 148 HZ3 LYS 148 24.724 -7.379 16.492 1184 H6 2W7 201 H6 2W7 201 21.768 20.712 16.296 1185 H7 2W7 201 H7 2W7 201 23.644 22.187 16.932 1186 H8 2W7 201 H8 2W7 201 25.041 23.245 15.183 1187 H9 2W7 201 H9 2W7 201 24.591 22.797 12.791 1188 H3 2W7 201 H3 2W7 201 22.507 19.176 12.263 1189 H122 2W7 201 H122 2W7 201 21.500 18.868 10.058 1190 H121 2W7 201 H121 2W7 201 22.457 20.248 9.484 1191 H4 2W7 201 H4 2W7 201 24.757 19.455 11.243 1192 HZ12 2W7 201 HZ12 2W7 201 24.852 16.077 10.011 1193 HZ11 2W7 201 HZ11 2W7 201 25.294 16.353 11.707 1194 HY1 2W7 201 HY1 2W7 201 26.674 14.572 10.701 1195 HX22 2W7 201 HX22 2W7 201 28.253 15.127 8.902 1196 HX21 2W7 201 HX21 2W7 201 26.568 15.366 8.378 1197 HY3 2W7 201 HY3 2W7 201 27.997 17.289 7.694 1198 HZ21 2W7 201 HZ21 2W7 201 25.628 17.685 8.250 1199 HZ22 2W7 201 HZ22 2W7 201 26.633 19.074 8.703 1200 HX31 2W7 201 HX31 2W7 201 29.653 17.094 9.510 1201 HX32 2W7 201 HX32 2W7 201 28.980 18.736 9.437 1202 HY2 2W7 201 HY2 2W7 201 29.071 17.928 11.769 1203 HZ32 2W7 201 HZ32 2W7 201 27.243 19.448 11.089 1204 HZ31 2W7 201 HZ31 2W7 201 26.700 18.310 12.337 1205 HX12 2W7 201 HX12 2W7 201 28.892 15.524 11.265 1206 HX11 2W7 201 HX11 2W7 201 27.659 16.020 12.440 Start of MODEL 5 1 HA MET 1 HA MET 1 0.718 -2.205 -2.689 2 HB2 MET 1 HB2 MET 1 2.848 -0.974 -2.483 3 HB3 MET 1 HB3 MET 1 2.040 -1.162 -0.936 4 HG2 MET 1 HG2 MET 1 3.555 -3.018 -0.394 5 HG3 MET 1 HG3 MET 1 4.386 -2.759 -1.926 6 HE1 MET 1 HE1 MET 1 4.276 0.405 1.438 7 HE2 MET 1 HE2 MET 1 3.480 -1.161 1.566 8 HE3 MET 1 HE3 MET 1 2.896 0.033 0.408 9 H GLN 2 H GLN 2 1.574 -1.967 -4.764 10 HA GLN 2 HA GLN 2 2.759 -4.451 -5.760 11 HB2 GLN 2 HB2 GLN 2 1.178 -2.263 -7.097 12 HB3 GLN 2 HB3 GLN 2 2.017 -3.505 -8.012 13 HG2 GLN 2 HG2 GLN 2 -0.073 -4.405 -7.909 14 HG3 GLN 2 HG3 GLN 2 0.658 -5.135 -6.485 15 HE21 GLN 2 HE21 GLN 2 -2.139 -4.653 -7.118 16 HE22 GLN 2 HE22 GLN 2 -2.763 -3.681 -5.824 17 H ALA 3 H ALA 3 3.678 -1.395 -4.941 18 HA ALA 3 HA ALA 3 5.915 -1.420 -6.859 19 HB1 ALA 3 HB1 ALA 3 4.611 0.994 -5.603 20 HB2 ALA 3 HB2 ALA 3 4.374 0.447 -7.263 21 HB3 ALA 3 HB3 ALA 3 5.962 1.012 -6.739 22 H LYS 4 H LYS 4 7.943 -0.583 -6.063 23 HA LYS 4 HA LYS 4 8.332 -1.258 -3.257 24 HB2 LYS 4 HB2 LYS 4 10.258 -0.728 -5.517 25 HB3 LYS 4 HB3 LYS 4 10.783 -0.918 -3.850 26 HG2 LYS 4 HG2 LYS 4 9.730 -3.162 -3.830 27 HG3 LYS 4 HG3 LYS 4 9.375 -2.965 -5.549 28 HD2 LYS 4 HD2 LYS 4 11.733 -2.779 -6.052 29 HD3 LYS 4 HD3 LYS 4 12.134 -2.824 -4.335 30 HE2 LYS 4 HE2 LYS 4 11.213 -5.095 -4.193 31 HE3 LYS 4 HE3 LYS 4 10.844 -5.045 -5.916 32 HZ1 LYS 4 HZ1 LYS 4 13.204 -4.815 -6.379 33 HZ2 LYS 4 HZ2 LYS 4 12.909 -6.222 -5.482 34 HZ3 LYS 4 HZ3 LYS 4 13.562 -4.851 -4.721 35 HA PRO 5 HA PRO 5 8.311 3.046 -2.133 36 HB2 PRO 5 HB2 PRO 5 9.107 2.720 0.436 37 HB3 PRO 5 HB3 PRO 5 7.462 2.371 -0.110 38 HG2 PRO 5 HG2 PRO 5 9.736 0.488 0.381 39 HG3 PRO 5 HG3 PRO 5 8.021 0.305 0.796 40 HD2 PRO 5 HD2 PRO 5 9.156 -0.888 -1.365 41 HD3 PRO 5 HD3 PRO 5 7.454 -0.383 -1.324 42 H GLN 6 H GLN 6 9.889 4.201 -3.008 43 HA GLN 6 HA GLN 6 12.613 3.898 -1.933 44 HB2 GLN 6 HB2 GLN 6 11.725 4.696 -4.712 45 HB3 GLN 6 HB3 GLN 6 13.369 4.904 -4.129 46 HG2 GLN 6 HG2 GLN 6 11.931 2.268 -4.326 47 HG3 GLN 6 HG3 GLN 6 13.073 2.896 -5.512 48 HE21 GLN 6 HE21 GLN 6 12.693 1.474 -2.373 49 HE22 GLN 6 HE22 GLN 6 14.373 1.169 -2.095 50 H ILE 7 H ILE 7 13.677 6.242 -2.959 51 HA ILE 7 HA ILE 7 12.113 8.272 -1.512 52 HB ILE 7 HB ILE 7 15.051 8.411 -2.216 53 HG12 ILE 7 HG12 ILE 7 13.804 7.650 0.432 54 HG13 ILE 7 HG13 ILE 7 14.495 6.495 -0.702 55 HG21 ILE 7 HG21 ILE 7 13.900 10.559 -1.800 56 HG22 ILE 7 HG22 ILE 7 15.119 10.197 -0.578 57 HG23 ILE 7 HG23 ILE 7 13.409 9.964 -0.213 58 HD11 ILE 7 HD11 ILE 7 16.674 7.562 -0.455 59 HD12 ILE 7 HD12 ILE 7 16.038 6.991 1.088 60 HD13 ILE 7 HD13 ILE 7 15.976 8.710 0.692 61 HA PRO 8 HA PRO 8 11.824 9.729 -5.772 62 HB2 PRO 8 HB2 PRO 8 9.205 10.254 -5.759 63 HB3 PRO 8 HB3 PRO 8 9.807 8.595 -5.811 64 HG2 PRO 8 HG2 PRO 8 8.541 10.072 -3.586 65 HG3 PRO 8 HG3 PRO 8 8.597 8.328 -3.894 66 HD2 PRO 8 HD2 PRO 8 10.264 9.880 -2.138 67 HD3 PRO 8 HD3 PRO 8 10.321 8.131 -2.438 68 H LYS 9 H LYS 9 10.385 11.716 -6.600 69 HA LYS 9 HA LYS 9 11.384 14.071 -5.273 70 HB2 LYS 9 HB2 LYS 9 10.360 15.231 -7.206 71 HB3 LYS 9 HB3 LYS 9 11.416 13.920 -7.708 72 HG2 LYS 9 HG2 LYS 9 9.352 12.485 -7.884 73 HG3 LYS 9 HG3 LYS 9 8.412 13.959 -7.667 74 HD2 LYS 9 HD2 LYS 9 9.393 14.915 -9.669 75 HD3 LYS 9 HD3 LYS 9 10.430 13.498 -9.861 76 HE2 LYS 9 HE2 LYS 9 8.349 12.113 -10.007 77 HE3 LYS 9 HE3 LYS 9 7.426 13.614 -10.046 78 HZ1 LYS 9 HZ1 LYS 9 8.551 14.235 -12.076 79 HZ2 LYS 9 HZ2 LYS 9 7.840 12.707 -12.260 80 HZ3 LYS 9 HZ3 LYS 9 9.510 12.838 -12.011 81 H ASP 10 H ASP 10 9.082 12.234 -4.275 82 HA ASP 10 HA ASP 10 6.993 14.285 -3.968 83 HB2 ASP 10 HB2 ASP 10 6.413 12.058 -5.064 84 HB3 ASP 10 HB3 ASP 10 6.697 11.315 -3.494 85 H LYS 11 H LYS 11 6.685 15.124 -2.000 86 HA LYS 11 HA LYS 11 8.080 13.856 0.260 87 HB2 LYS 11 HB2 LYS 11 8.127 16.123 1.249 88 HB3 LYS 11 HB3 LYS 11 8.986 16.038 -0.280 89 HG2 LYS 11 HG2 LYS 11 7.075 17.052 -1.413 90 HG3 LYS 11 HG3 LYS 11 6.200 17.118 0.116 91 HD2 LYS 11 HD2 LYS 11 7.193 19.284 -0.445 92 HD3 LYS 11 HD3 LYS 11 7.892 18.619 1.033 93 HE2 LYS 11 HE2 LYS 11 9.833 17.848 -0.215 94 HE3 LYS 11 HE3 LYS 11 9.128 18.459 -1.712 95 HZ1 LYS 11 HZ1 LYS 11 9.764 20.175 0.625 96 HZ2 LYS 11 HZ2 LYS 11 9.323 20.679 -0.933 97 HZ3 LYS 11 HZ3 LYS 11 10.821 19.930 -0.681 98 H SER 12 H SER 12 5.186 13.712 -0.922 99 HA SER 12 HA SER 12 3.758 14.352 1.572 100 HB2 SER 12 HB2 SER 12 2.882 15.445 -0.461 101 HB3 SER 12 HB3 SER 12 2.648 13.864 -1.204 102 HG SER 12 HG SER 12 1.342 13.504 0.864 103 H LYS 13 H LYS 13 5.200 11.833 0.035 104 HA LYS 13 HA LYS 13 3.231 9.838 0.868 105 HB2 LYS 13 HB2 LYS 13 5.847 9.482 -0.605 106 HB3 LYS 13 HB3 LYS 13 4.644 8.234 -0.318 107 HG2 LYS 13 HG2 LYS 13 4.231 10.715 -1.972 108 HG3 LYS 13 HG3 LYS 13 4.547 9.098 -2.596 109 HD2 LYS 13 HD2 LYS 13 2.474 8.323 -1.456 110 HD3 LYS 13 HD3 LYS 13 2.145 9.998 -1.014 111 HE2 LYS 13 HE2 LYS 13 2.449 8.970 -3.832 112 HE3 LYS 13 HE3 LYS 13 0.914 9.283 -3.027 113 HZ1 LYS 13 HZ1 LYS 13 1.375 11.586 -2.946 114 HZ2 LYS 13 HZ2 LYS 13 1.724 11.083 -4.527 115 HZ3 LYS 13 HZ3 LYS 13 2.986 11.372 -3.435 116 H VAL 14 H VAL 14 4.421 7.765 1.758 117 HA VAL 14 HA VAL 14 6.288 8.618 3.868 118 HB VAL 14 HB VAL 14 4.235 6.397 4.015 119 HG11 VAL 14 HG11 VAL 14 6.112 7.465 6.115 120 HG12 VAL 14 HG12 VAL 14 6.252 5.914 5.289 121 HG13 VAL 14 HG13 VAL 14 4.883 6.221 6.359 122 HG21 VAL 14 HG21 VAL 14 3.186 8.605 4.096 123 HG22 VAL 14 HG22 VAL 14 4.267 9.074 5.408 124 HG23 VAL 14 HG23 VAL 14 3.084 7.790 5.657 125 H ALA 15 H ALA 15 8.256 7.791 3.545 126 HA ALA 15 HA ALA 15 8.599 5.512 1.767 127 HB1 ALA 15 HB1 ALA 15 10.054 7.479 1.507 128 HB2 ALA 15 HB2 ALA 15 10.977 6.020 1.872 129 HB3 ALA 15 HB3 ALA 15 10.683 7.217 3.133 130 H GLY 16 H GLY 16 8.918 6.337 5.150 131 HA2 GLY 16 HA2 GLY 16 9.234 3.521 5.791 132 HA3 GLY 16 HA3 GLY 16 10.558 4.574 6.266 133 H TYR 17 H TYR 17 9.350 3.189 8.178 134 HA TYR 17 HA TYR 17 7.882 5.265 9.656 135 HB2 TYR 17 HB2 TYR 17 6.843 2.725 8.859 136 HB3 TYR 17 HB3 TYR 17 7.079 2.688 10.600 137 HD1 TYR 17 HD1 TYR 17 5.909 4.300 12.044 138 HD2 TYR 17 HD2 TYR 17 5.149 4.103 7.865 139 HE1 TYR 17 HE1 TYR 17 3.846 5.594 12.365 140 HE2 TYR 17 HE2 TYR 17 3.078 5.394 8.174 141 HH TYR 17 HH TYR 17 1.454 5.879 9.991 142 H ILE 18 H ILE 18 8.732 5.675 11.622 143 HA ILE 18 HA ILE 18 10.843 3.850 12.540 144 HB ILE 18 HB ILE 18 11.605 6.136 12.069 145 HG12 ILE 18 HG12 ILE 18 12.638 6.610 14.321 146 HG13 ILE 18 HG13 ILE 18 11.635 5.320 14.975 147 HG21 ILE 18 HG21 ILE 18 10.907 8.030 13.420 148 HG22 ILE 18 HG22 ILE 18 9.742 7.011 14.268 149 HG23 ILE 18 HG23 ILE 18 9.540 7.341 12.546 150 HD11 ILE 18 HD11 ILE 18 12.719 3.703 13.566 151 HD12 ILE 18 HD12 ILE 18 13.929 4.606 14.479 152 HD13 ILE 18 HD13 ILE 18 13.653 4.974 12.776 153 H GLU 19 H GLU 19 10.501 2.677 14.274 154 HA GLU 19 HA GLU 19 8.413 3.525 16.167 155 HB2 GLU 19 HB2 GLU 19 9.026 0.777 15.114 156 HB3 GLU 19 HB3 GLU 19 8.191 1.009 16.642 157 HG2 GLU 19 HG2 GLU 19 6.519 2.404 15.365 158 HG3 GLU 19 HG3 GLU 19 7.277 1.783 13.896 159 H ILE 20 H ILE 20 9.166 3.995 18.049 160 HA ILE 20 HA ILE 20 11.244 2.280 19.217 161 HB ILE 20 HB ILE 20 10.988 5.262 19.681 162 HG12 ILE 20 HG12 ILE 20 13.195 3.715 18.311 163 HG13 ILE 20 HG13 ILE 20 11.936 4.599 17.457 164 HG21 ILE 20 HG21 ILE 20 13.035 5.009 21.007 165 HG22 ILE 20 HG22 ILE 20 12.995 3.268 20.735 166 HG23 ILE 20 HG23 ILE 20 11.719 4.042 21.672 167 HD11 ILE 20 HD11 ILE 20 13.970 5.798 19.321 168 HD12 ILE 20 HD12 ILE 20 12.721 6.676 18.437 169 HD13 ILE 20 HD13 ILE 20 14.008 5.853 17.557 170 HA PRO 21 HA PRO 21 7.408 1.690 21.599 171 HB2 PRO 21 HB2 PRO 21 8.609 -0.372 23.061 172 HB3 PRO 21 HB3 PRO 21 7.623 -0.564 21.611 173 HG2 PRO 21 HG2 PRO 21 10.584 -0.566 21.903 174 HG3 PRO 21 HG3 PRO 21 9.560 -1.472 20.779 175 HD2 PRO 21 HD2 PRO 21 10.990 0.669 19.999 176 HD3 PRO 21 HD3 PRO 21 9.405 0.289 19.298 177 H ASP 22 H ASP 22 10.707 1.922 22.814 178 HA ASP 22 HA ASP 22 10.177 2.342 25.521 179 HB2 ASP 22 HB2 ASP 22 12.408 3.419 23.790 180 HB3 ASP 22 HB3 ASP 22 12.386 3.524 25.547 181 H ALA 23 H ALA 23 9.876 4.487 22.795 182 HA ALA 23 HA ALA 23 9.484 6.764 24.623 183 HB1 ALA 23 HB1 ALA 23 10.311 8.216 22.870 184 HB2 ALA 23 HB2 ALA 23 10.497 6.833 21.788 185 HB3 ALA 23 HB3 ALA 23 11.497 6.962 23.235 186 H ASP 24 H ASP 24 7.668 4.688 23.136 187 HA ASP 24 HA ASP 24 5.568 4.643 22.275 188 HB2 ASP 24 HB2 ASP 24 5.559 7.479 23.320 189 HB3 ASP 24 HB3 ASP 24 4.136 6.702 22.636 190 H ILE 25 H ILE 25 7.821 5.429 20.555 191 HA ILE 25 HA ILE 25 6.686 7.439 18.779 192 HB ILE 25 HB ILE 25 9.359 6.034 18.697 193 HG12 ILE 25 HG12 ILE 25 8.585 8.851 19.480 194 HG13 ILE 25 HG13 ILE 25 9.103 7.581 20.585 195 HG21 ILE 25 HG21 ILE 25 9.955 7.776 17.017 196 HG22 ILE 25 HG22 ILE 25 8.253 8.239 16.963 197 HG23 ILE 25 HG23 ILE 25 8.742 6.624 16.452 198 HD11 ILE 25 HD11 ILE 25 10.894 9.150 20.152 199 HD12 ILE 25 HD12 ILE 25 10.772 8.839 18.420 200 HD13 ILE 25 HD13 ILE 25 11.297 7.557 19.511 201 H LYS 26 H LYS 26 5.426 6.894 17.195 202 HA LYS 26 HA LYS 26 6.054 4.564 15.537 203 HB2 LYS 26 HB2 LYS 26 3.364 5.244 16.726 204 HB3 LYS 26 HB3 LYS 26 3.510 4.283 15.266 205 HG2 LYS 26 HG2 LYS 26 4.692 2.559 16.455 206 HG3 LYS 26 HG3 LYS 26 4.728 3.550 17.917 207 HD2 LYS 26 HD2 LYS 26 2.343 3.450 18.125 208 HD3 LYS 26 HD3 LYS 26 2.189 2.667 16.553 209 HE2 LYS 26 HE2 LYS 26 3.658 1.455 18.881 210 HE3 LYS 26 HE3 LYS 26 1.956 1.154 18.542 211 HZ1 LYS 26 HZ1 LYS 26 3.166 -0.606 17.577 212 HZ2 LYS 26 HZ2 LYS 26 4.293 0.439 16.860 213 HZ3 LYS 26 HZ3 LYS 26 2.698 0.392 16.288 214 H GLU 27 H GLU 27 6.991 6.721 14.614 215 HA GLU 27 HA GLU 27 4.901 8.305 13.273 216 HB2 GLU 27 HB2 GLU 27 7.729 9.145 13.924 217 HB3 GLU 27 HB3 GLU 27 6.442 10.169 13.304 218 HG2 GLU 27 HG2 GLU 27 6.503 8.843 16.007 219 HG3 GLU 27 HG3 GLU 27 6.820 10.544 15.674 220 HA PRO 28 HA PRO 28 6.634 7.032 9.361 221 HB2 PRO 28 HB2 PRO 28 5.498 8.876 7.771 222 HB3 PRO 28 HB3 PRO 28 4.550 7.588 8.525 223 HG2 PRO 28 HG2 PRO 28 4.867 10.446 9.366 224 HG3 PRO 28 HG3 PRO 28 3.395 9.460 9.288 225 HD2 PRO 28 HD2 PRO 28 4.765 9.909 11.601 226 HD3 PRO 28 HD3 PRO 28 3.821 8.440 11.300 227 H VAL 29 H VAL 29 8.132 7.743 7.743 228 HA VAL 29 HA VAL 29 9.605 10.188 8.479 229 HB VAL 29 HB VAL 29 10.666 7.753 7.028 230 HG11 VAL 29 HG11 VAL 29 11.775 9.806 6.328 231 HG12 VAL 29 HG12 VAL 29 12.861 8.817 7.306 232 HG13 VAL 29 HG13 VAL 29 12.080 10.232 8.014 233 HG21 VAL 29 HG21 VAL 29 11.140 8.700 9.851 234 HG22 VAL 29 HG22 VAL 29 11.974 7.353 9.074 235 HG23 VAL 29 HG23 VAL 29 10.237 7.262 9.374 236 H TYR 30 H TYR 30 9.852 11.718 6.979 237 HA TYR 30 HA TYR 30 8.247 11.402 4.579 238 HB2 TYR 30 HB2 TYR 30 9.629 13.868 5.652 239 HB3 TYR 30 HB3 TYR 30 8.443 13.820 4.352 240 HD1 TYR 30 HD1 TYR 30 6.410 12.008 5.431 241 HD2 TYR 30 HD2 TYR 30 8.624 15.078 7.369 242 HE1 TYR 30 HE1 TYR 30 4.601 12.263 7.071 243 HE2 TYR 30 HE2 TYR 30 6.820 15.341 9.023 244 HH TYR 30 HH TYR 30 4.290 14.872 9.093 245 HA PRO 31 HA PRO 31 11.950 10.580 2.176 246 HB2 PRO 31 HB2 PRO 31 10.576 10.247 -0.161 247 HB3 PRO 31 HB3 PRO 31 10.767 8.975 1.048 248 HG2 PRO 31 HG2 PRO 31 8.446 10.791 0.561 249 HG3 PRO 31 HG3 PRO 31 8.452 9.062 0.953 250 HD2 PRO 31 HD2 PRO 31 7.926 10.964 2.798 251 HD3 PRO 31 HD3 PRO 31 8.747 9.443 3.212 252 H GLY 32 H GLY 32 13.206 11.926 1.020 253 HA2 GLY 32 HA2 GLY 32 12.956 13.522 -1.002 254 HA3 GLY 32 HA3 GLY 32 12.039 14.471 0.162 255 HA PRO 33 HA PRO 33 16.447 15.690 0.728 256 HB2 PRO 33 HB2 PRO 33 15.905 18.338 -0.121 257 HB3 PRO 33 HB3 PRO 33 16.788 17.098 -1.010 258 HG2 PRO 33 HG2 PRO 33 14.322 18.187 -1.734 259 HG3 PRO 33 HG3 PRO 33 15.028 16.696 -2.380 260 HD2 PRO 33 HD2 PRO 33 12.949 17.055 -0.272 261 HD3 PRO 33 HD3 PRO 33 13.118 15.772 -1.491 262 H ALA 34 H ALA 34 17.292 17.160 2.294 263 HA ALA 34 HA ALA 34 15.505 17.780 4.434 264 HB1 ALA 34 HB1 ALA 34 17.830 17.142 4.850 265 HB2 ALA 34 HB2 ALA 34 17.462 18.723 5.540 266 HB3 ALA 34 HB3 ALA 34 18.376 18.608 4.036 267 H THR 35 H THR 35 14.435 19.603 4.833 268 HA THR 35 HA THR 35 15.184 22.132 3.731 269 HB THR 35 HB THR 35 14.288 21.192 1.713 270 HG1 THR 35 HG1 THR 35 12.137 22.767 2.705 271 HG21 THR 35 HG21 THR 35 13.012 19.371 2.726 272 HG22 THR 35 HG22 THR 35 12.058 20.263 1.535 273 HG23 THR 35 HG23 THR 35 11.790 20.529 3.259 274 HA PRO 36 HA PRO 36 13.449 23.848 7.292 275 HB2 PRO 36 HB2 PRO 36 11.852 25.538 5.402 276 HB3 PRO 36 HB3 PRO 36 12.750 26.018 6.848 277 HG2 PRO 36 HG2 PRO 36 13.807 26.376 4.441 278 HG3 PRO 36 HG3 PRO 36 14.811 25.820 5.792 279 HD2 PRO 36 HD2 PRO 36 13.812 24.320 3.438 280 HD3 PRO 36 HD3 PRO 36 15.273 24.061 4.411 281 H GLU 37 H GLU 37 10.841 23.499 4.829 282 HA GLU 37 HA GLU 37 8.761 23.675 6.721 283 HB2 GLU 37 HB2 GLU 37 8.524 22.195 4.112 284 HB3 GLU 37 HB3 GLU 37 7.285 23.084 4.979 285 HG2 GLU 37 HG2 GLU 37 7.716 24.615 3.381 286 HG3 GLU 37 HG3 GLU 37 8.970 25.093 4.525 287 H GLN 38 H GLN 38 10.316 20.884 5.201 288 HA GLN 38 HA GLN 38 8.714 18.918 6.443 289 HB2 GLN 38 HB2 GLN 38 11.560 18.704 5.436 290 HB3 GLN 38 HB3 GLN 38 10.512 17.349 5.823 291 HG2 GLN 38 HG2 GLN 38 10.036 19.372 3.649 292 HG3 GLN 38 HG3 GLN 38 10.655 17.737 3.426 293 HE21 GLN 38 HE21 GLN 38 9.267 15.984 3.690 294 HE22 GLN 38 HE22 GLN 38 7.549 16.173 3.649 295 H LEU 39 H LEU 39 11.902 20.253 7.220 296 HA LEU 39 HA LEU 39 12.155 18.758 9.645 297 HB2 LEU 39 HB2 LEU 39 13.742 20.912 8.292 298 HB3 LEU 39 HB3 LEU 39 14.140 20.396 9.918 299 HG LEU 39 HG LEU 39 15.540 19.307 8.244 300 HD11 LEU 39 HD11 LEU 39 15.088 18.148 10.322 301 HD12 LEU 39 HD12 LEU 39 15.225 16.997 8.991 302 HD13 LEU 39 HD13 LEU 39 13.635 17.430 9.621 303 HD21 LEU 39 HD21 LEU 39 14.009 19.247 6.363 304 HD22 LEU 39 HD22 LEU 39 12.992 18.085 7.212 305 HD23 LEU 39 HD23 LEU 39 14.623 17.631 6.719 306 H ASN 40 H ASN 40 9.946 20.890 9.224 307 HA ASN 40 HA ASN 40 10.323 22.021 11.921 308 HB2 ASN 40 HB2 ASN 40 10.258 23.735 10.042 309 HB3 ASN 40 HB3 ASN 40 8.593 23.244 9.758 310 HD21 ASN 40 HD21 ASN 40 7.807 25.289 10.248 311 HD22 ASN 40 HD22 ASN 40 7.759 25.891 11.870 312 H ARG 41 H ARG 41 8.787 19.770 10.118 313 HA ARG 41 HA ARG 41 6.388 19.818 11.823 314 HB2 ARG 41 HB2 ARG 41 6.526 18.937 8.935 315 HB3 ARG 41 HB3 ARG 41 5.091 18.923 9.953 316 HG2 ARG 41 HG2 ARG 41 5.152 21.343 10.116 317 HG3 ARG 41 HG3 ARG 41 6.632 21.385 9.158 318 HD2 ARG 41 HD2 ARG 41 4.859 21.916 7.685 319 HD3 ARG 41 HD3 ARG 41 5.341 20.261 7.317 320 HE ARG 41 HE ARG 41 3.353 19.496 8.446 321 HH11 ARG 41 HH11 ARG 41 3.537 22.950 7.926 322 HH12 ARG 41 HH12 ARG 41 1.809 23.173 7.925 323 HH21 ARG 41 HH21 ARG 41 1.090 19.774 8.483 324 HH22 ARG 41 HH22 ARG 41 0.420 21.366 8.280 325 H GLY 42 H GLY 42 8.859 17.887 10.227 326 HA2 GLY 42 HA2 GLY 42 8.416 15.743 12.099 327 HA3 GLY 42 HA3 GLY 42 7.898 15.344 10.471 328 H VAL 43 H VAL 43 9.493 13.653 10.698 329 HA VAL 43 HA VAL 43 12.276 14.495 10.443 330 HB VAL 43 HB VAL 43 11.867 12.663 11.976 331 HG11 VAL 43 HG11 VAL 43 10.679 11.184 9.635 332 HG12 VAL 43 HG12 VAL 43 9.795 11.814 11.023 333 HG13 VAL 43 HG13 VAL 43 10.967 10.514 11.242 334 HG21 VAL 43 HG21 VAL 43 13.205 11.706 9.458 335 HG22 VAL 43 HG22 VAL 43 13.357 10.955 11.047 336 HG23 VAL 43 HG23 VAL 43 13.961 12.590 10.784 337 H SER 44 H SER 44 13.480 14.227 8.618 338 HA SER 44 HA SER 44 12.273 12.889 6.311 339 HB2 SER 44 HB2 SER 44 13.484 15.669 6.220 340 HB3 SER 44 HB3 SER 44 12.928 14.743 4.823 341 HG SER 44 HG SER 44 10.961 14.779 6.592 342 H PHE 45 H PHE 45 14.073 12.887 4.468 343 HA PHE 45 HA PHE 45 16.425 11.758 5.751 344 HB2 PHE 45 HB2 PHE 45 15.495 11.719 2.880 345 HB3 PHE 45 HB3 PHE 45 17.002 10.995 3.434 346 HD1 PHE 45 HD1 PHE 45 16.680 9.406 5.555 347 HD2 PHE 45 HD2 PHE 45 13.686 10.319 2.668 348 HE1 PHE 45 HE1 PHE 45 15.479 7.347 6.155 349 HE2 PHE 45 HE2 PHE 45 12.476 8.264 3.266 350 HZ PHE 45 HZ PHE 45 13.376 6.778 5.020 351 H ALA 46 H ALA 46 18.465 12.492 5.561 352 HA ALA 46 HA ALA 46 18.821 15.174 4.421 353 HB1 ALA 46 HB1 ALA 46 19.522 14.855 6.739 354 HB2 ALA 46 HB2 ALA 46 20.918 15.189 5.713 355 HB3 ALA 46 HB3 ALA 46 20.588 13.539 6.243 356 H GLU 47 H GLU 47 19.056 12.094 3.466 357 HA GLU 47 HA GLU 47 21.710 12.027 2.399 358 HB2 GLU 47 HB2 GLU 47 19.360 10.157 2.254 359 HB3 GLU 47 HB3 GLU 47 20.868 9.853 1.402 360 HG2 GLU 47 HG2 GLU 47 20.696 10.300 4.365 361 HG3 GLU 47 HG3 GLU 47 20.643 8.712 3.610 362 H GLU 48 H GLU 48 22.272 11.816 0.271 363 HA GLU 48 HA GLU 48 20.303 12.706 -1.727 364 HB2 GLU 48 HB2 GLU 48 22.306 13.494 -3.033 365 HB3 GLU 48 HB3 GLU 48 22.014 14.382 -1.543 366 HG2 GLU 48 HG2 GLU 48 23.745 12.994 -0.439 367 HG3 GLU 48 HG3 GLU 48 24.090 12.251 -2.002 368 H ASN 49 H ASN 49 21.116 10.064 -0.570 369 HA ASN 49 HA ASN 49 22.552 8.599 -2.543 370 HB2 ASN 49 HB2 ASN 49 22.202 8.064 -0.033 371 HB3 ASN 49 HB3 ASN 49 20.665 7.371 -0.547 372 HD21 ASN 49 HD21 ASN 49 24.104 7.079 -0.600 373 HD22 ASN 49 HD22 ASN 49 24.163 5.488 -1.279 374 H GLU 50 H GLU 50 21.438 6.541 -3.445 375 HA GLU 50 HA GLU 50 19.058 7.464 -4.891 376 HB2 GLU 50 HB2 GLU 50 19.735 5.725 -6.578 377 HB3 GLU 50 HB3 GLU 50 20.894 7.033 -6.370 378 HG2 GLU 50 HG2 GLU 50 22.218 5.586 -4.884 379 HG3 GLU 50 HG3 GLU 50 21.078 4.276 -5.178 380 H SER 51 H SER 51 19.603 5.811 -2.285 381 HA SER 51 HA SER 51 17.287 4.111 -2.592 382 HB2 SER 51 HB2 SER 51 19.994 2.937 -1.905 383 HB3 SER 51 HB3 SER 51 18.462 2.070 -1.825 384 HG SER 51 HG SER 51 18.677 3.207 -4.231 385 H LEU 52 H LEU 52 16.399 3.438 -0.604 386 HA LEU 52 HA LEU 52 17.441 4.893 1.725 387 HB2 LEU 52 HB2 LEU 52 15.073 4.166 2.625 388 HB3 LEU 52 HB3 LEU 52 15.273 5.582 1.615 389 HG LEU 52 HG LEU 52 14.527 4.294 -0.345 390 HD11 LEU 52 HD11 LEU 52 13.473 2.076 0.015 391 HD12 LEU 52 HD12 LEU 52 14.147 2.063 1.647 392 HD13 LEU 52 HD13 LEU 52 15.221 2.070 0.248 393 HD21 LEU 52 HD21 LEU 52 12.180 4.067 0.319 394 HD22 LEU 52 HD22 LEU 52 12.904 5.554 0.934 395 HD23 LEU 52 HD23 LEU 52 12.657 4.181 2.013 396 H ASP 53 H ASP 53 17.453 1.888 0.370 397 HA ASP 53 HA ASP 53 17.291 0.397 2.869 398 HB2 ASP 53 HB2 ASP 53 17.441 -1.577 1.389 399 HB3 ASP 53 HB3 ASP 53 16.116 -0.516 0.929 400 H ASP 54 H ASP 54 19.549 2.241 1.700 401 HA ASP 54 HA ASP 54 21.770 0.433 1.427 402 HB2 ASP 54 HB2 ASP 54 21.576 2.643 0.215 403 HB3 ASP 54 HB3 ASP 54 21.878 3.438 1.757 404 H GLN 55 H GLN 55 23.791 0.924 2.776 405 HA GLN 55 HA GLN 55 23.111 0.347 5.486 406 HB2 GLN 55 HB2 GLN 55 25.567 0.230 5.820 407 HB3 GLN 55 HB3 GLN 55 24.989 -0.781 4.503 408 HG2 GLN 55 HG2 GLN 55 25.727 0.883 2.888 409 HG3 GLN 55 HG3 GLN 55 26.294 1.913 4.203 410 HE21 GLN 55 HE21 GLN 55 28.149 1.340 5.327 411 HE22 GLN 55 HE22 GLN 55 29.257 0.150 4.738 412 H ASN 56 H ASN 56 24.239 3.208 3.760 413 HA ASN 56 HA ASN 56 24.395 4.557 6.363 414 HB2 ASN 56 HB2 ASN 56 25.884 6.161 5.510 415 HB3 ASN 56 HB3 ASN 56 26.448 4.630 4.877 416 HD21 ASN 56 HD21 ASN 56 24.525 4.493 2.679 417 HD22 ASN 56 HD22 ASN 56 24.979 5.735 1.564 418 H ILE 57 H ILE 57 22.662 5.544 6.953 419 HA ILE 57 HA ILE 57 21.145 7.107 4.990 420 HB ILE 57 HB ILE 57 20.074 5.047 6.898 421 HG12 ILE 57 HG12 ILE 57 20.652 4.308 4.629 422 HG13 ILE 57 HG13 ILE 57 18.925 4.195 4.931 423 HG21 ILE 57 HG21 ILE 57 17.788 5.866 6.277 424 HG22 ILE 57 HG22 ILE 57 18.562 7.325 5.654 425 HG23 ILE 57 HG23 ILE 57 18.706 6.907 7.369 426 HD11 ILE 57 HD11 ILE 57 18.557 6.241 3.668 427 HD12 ILE 57 HD12 ILE 57 19.404 5.040 2.693 428 HD13 ILE 57 HD13 ILE 57 20.291 6.393 3.395 429 H SER 58 H SER 58 21.719 9.099 5.741 430 HA SER 58 HA SER 58 21.546 9.724 8.552 431 HB2 SER 58 HB2 SER 58 21.870 11.601 6.199 432 HB3 SER 58 HB3 SER 58 22.198 11.969 7.893 433 HG SER 58 HG SER 58 23.631 10.357 6.086 434 H ILE 59 H ILE 59 19.585 9.790 9.442 435 HA ILE 59 HA ILE 59 17.343 10.869 7.890 436 HB ILE 59 HB ILE 59 17.076 9.600 10.609 437 HG12 ILE 59 HG12 ILE 59 17.142 8.164 7.944 438 HG13 ILE 59 HG13 ILE 59 18.343 8.015 9.222 439 HG21 ILE 59 HG21 ILE 59 15.234 9.778 8.222 440 HG22 ILE 59 HG22 ILE 59 15.142 10.779 9.676 441 HG23 ILE 59 HG23 ILE 59 14.844 9.042 9.776 442 HD11 ILE 59 HD11 ILE 59 16.696 7.002 10.682 443 HD12 ILE 59 HD12 ILE 59 16.808 6.117 9.160 444 HD13 ILE 59 HD13 ILE 59 15.453 7.209 9.449 445 H ALA 60 H ALA 60 17.022 12.980 8.145 446 HA ALA 60 HA ALA 60 18.028 14.377 10.461 447 HB1 ALA 60 HB1 ALA 60 17.250 16.392 9.312 448 HB2 ALA 60 HB2 ALA 60 16.466 15.395 8.086 449 HB3 ALA 60 HB3 ALA 60 18.223 15.382 8.242 450 H GLY 61 H GLY 61 16.855 13.838 12.233 451 HA2 GLY 61 HA2 GLY 61 13.931 14.009 12.059 452 HA3 GLY 61 HA3 GLY 61 14.831 13.155 13.306 453 H HIS 62 H HIS 62 13.862 16.306 12.114 454 HA HIS 62 HA HIS 62 14.996 17.914 14.076 455 HB2 HIS 62 HB2 HIS 62 13.912 18.870 12.115 456 HB3 HIS 62 HB3 HIS 62 12.351 18.264 12.659 457 HD1 HIS 62 HD1 HIS 62 15.033 20.706 13.799 458 HD2 HIS 62 HD2 HIS 62 10.955 20.002 14.204 459 HE1 HIS 62 HE1 HIS 62 14.126 22.677 15.075 460 H THR 63 H THR 63 14.404 18.544 16.084 461 HA THR 63 HA THR 63 12.398 16.828 17.386 462 HB THR 63 HB THR 63 14.845 18.068 18.644 463 HG1 THR 63 HG1 THR 63 14.601 15.970 16.933 464 HG21 THR 63 HG21 THR 63 14.509 16.387 20.376 465 HG22 THR 63 HG22 THR 63 13.114 15.740 19.507 466 HG23 THR 63 HG23 THR 63 13.051 17.364 20.197 467 H PHE 64 H PHE 64 11.046 17.729 18.902 468 HA PHE 64 HA PHE 64 11.418 20.512 19.653 469 HB2 PHE 64 HB2 PHE 64 9.799 20.292 17.638 470 HB3 PHE 64 HB3 PHE 64 8.679 19.589 18.802 471 HD1 PHE 64 HD1 PHE 64 10.846 22.580 18.342 472 HD2 PHE 64 HD2 PHE 64 7.237 20.987 19.938 473 HE1 PHE 64 HE1 PHE 64 10.150 24.842 19.007 474 HE2 PHE 64 HE2 PHE 64 6.537 23.249 20.610 475 HZ PHE 64 HZ PHE 64 7.994 25.180 20.145 476 H ILE 65 H ILE 65 12.037 19.647 21.614 477 HA ILE 65 HA ILE 65 10.616 17.569 22.925 478 HB ILE 65 HB ILE 65 13.103 18.655 23.172 479 HG12 ILE 65 HG12 ILE 65 12.384 16.365 23.792 480 HG13 ILE 65 HG13 ILE 65 13.487 17.075 24.964 481 HG21 ILE 65 HG21 ILE 65 13.346 19.533 25.460 482 HG22 ILE 65 HG22 ILE 65 11.590 19.545 25.622 483 HG23 ILE 65 HG23 ILE 65 12.371 20.582 24.429 484 HD11 ILE 65 HD11 ILE 65 10.500 16.860 25.260 485 HD12 ILE 65 HD12 ILE 65 11.612 17.553 26.442 486 HD13 ILE 65 HD13 ILE 65 11.704 15.837 26.046 487 H ASP 66 H ASP 66 10.003 20.877 22.637 488 HA ASP 66 HA ASP 66 8.795 21.400 25.135 489 HB2 ASP 66 HB2 ASP 66 9.485 23.206 23.654 490 HB3 ASP 66 HB3 ASP 66 8.304 22.697 22.449 491 H ARG 67 H ARG 67 7.357 20.489 21.993 492 HA ARG 67 HA ARG 67 4.788 20.086 23.324 493 HB2 ARG 67 HB2 ARG 67 5.556 20.000 20.401 494 HB3 ARG 67 HB3 ARG 67 3.945 19.638 20.999 495 HG2 ARG 67 HG2 ARG 67 5.380 22.274 21.255 496 HG3 ARG 67 HG3 ARG 67 4.070 21.899 20.138 497 HD2 ARG 67 HD2 ARG 67 2.962 22.994 21.850 498 HD3 ARG 67 HD3 ARG 67 2.742 21.300 22.282 499 HE ARG 67 HE ARG 67 4.997 22.758 23.466 500 HH11 ARG 67 HH11 ARG 67 1.794 21.372 23.865 501 HH12 ARG 67 HH12 ARG 67 1.903 21.314 25.598 502 HH21 ARG 67 HH21 ARG 67 5.121 22.705 25.735 503 HH22 ARG 67 HH22 ARG 67 3.789 22.077 26.666 504 HA PRO 68 HA PRO 68 5.984 15.856 23.950 505 HB2 PRO 68 HB2 PRO 68 3.631 15.026 25.043 506 HB3 PRO 68 HB3 PRO 68 4.851 15.952 25.925 507 HG2 PRO 68 HG2 PRO 68 2.335 16.898 24.607 508 HG3 PRO 68 HG3 PRO 68 3.013 17.349 26.183 509 HD2 PRO 68 HD2 PRO 68 3.268 18.919 24.003 510 HD3 PRO 68 HD3 PRO 68 4.529 18.821 25.249 511 H ASN 69 H ASN 69 3.399 16.855 21.870 512 HA ASN 69 HA ASN 69 2.925 14.090 21.026 513 HB2 ASN 69 HB2 ASN 69 1.428 16.649 20.534 514 HB3 ASN 69 HB3 ASN 69 1.115 15.201 19.584 515 HD21 ASN 69 HD21 ASN 69 0.778 16.740 22.648 516 HD22 ASN 69 HD22 ASN 69 -0.245 15.541 23.380 517 H TYR 70 H TYR 70 5.246 16.079 20.333 518 HA TYR 70 HA TYR 70 5.113 16.098 17.446 519 HB2 TYR 70 HB2 TYR 70 6.327 17.831 18.853 520 HB3 TYR 70 HB3 TYR 70 7.531 16.597 19.194 521 HD1 TYR 70 HD1 TYR 70 6.094 18.750 16.578 522 HD2 TYR 70 HD2 TYR 70 9.164 15.971 17.555 523 HE1 TYR 70 HE1 TYR 70 7.297 19.361 14.519 524 HE2 TYR 70 HE2 TYR 70 10.373 16.578 15.508 525 HH TYR 70 HH TYR 70 9.855 17.542 13.277 526 H GLN 71 H GLN 71 6.685 14.908 16.111 527 HA GLN 71 HA GLN 71 6.560 12.182 16.510 528 HB2 GLN 71 HB2 GLN 71 8.552 13.741 14.859 529 HB3 GLN 71 HB3 GLN 71 8.327 12.002 14.758 530 HG2 GLN 71 HG2 GLN 71 5.911 12.477 14.188 531 HG3 GLN 71 HG3 GLN 71 6.389 14.166 14.008 532 HE21 GLN 71 HE21 GLN 71 5.363 12.250 12.045 533 HE22 GLN 71 HE22 GLN 71 6.551 12.176 10.788 534 H PHE 72 H PHE 72 9.351 14.304 17.110 535 HA PHE 72 HA PHE 72 10.443 12.170 18.804 536 HB2 PHE 72 HB2 PHE 72 11.934 14.295 17.253 537 HB3 PHE 72 HB3 PHE 72 12.681 13.196 18.407 538 HD1 PHE 72 HD1 PHE 72 12.379 10.663 17.952 539 HD2 PHE 72 HD2 PHE 72 11.783 13.702 15.024 540 HE1 PHE 72 HE1 PHE 72 12.687 9.001 16.164 541 HE2 PHE 72 HE2 PHE 72 12.087 12.040 13.237 542 HZ PHE 72 HZ PHE 72 12.539 9.687 13.805 543 H THR 73 H THR 73 9.391 12.825 20.635 544 HA THR 73 HA THR 73 10.574 15.210 21.880 545 HB THR 73 HB THR 73 7.725 14.308 22.344 546 HG1 THR 73 HG1 THR 73 7.810 16.704 21.231 547 HG21 THR 73 HG21 THR 73 9.288 16.732 23.227 548 HG22 THR 73 HG22 THR 73 8.641 15.453 24.254 549 HG23 THR 73 HG23 THR 73 7.546 16.553 23.416 550 H ASN 74 H ASN 74 8.897 12.129 22.417 551 HA ASN 74 HA ASN 74 9.848 11.941 25.132 552 HB2 ASN 74 HB2 ASN 74 7.622 11.040 24.214 553 HB3 ASN 74 HB3 ASN 74 8.567 9.717 23.547 554 HD21 ASN 74 HD21 ASN 74 7.425 8.249 24.851 555 HD22 ASN 74 HD22 ASN 74 7.764 8.100 26.541 556 H LEU 75 H LEU 75 11.613 11.905 22.610 557 HA LEU 75 HA LEU 75 12.915 9.452 22.323 558 HB2 LEU 75 HB2 LEU 75 13.108 11.778 21.076 559 HB3 LEU 75 HB3 LEU 75 14.425 12.039 22.197 560 HG LEU 75 HG LEU 75 15.121 11.222 19.942 561 HD11 LEU 75 HD11 LEU 75 16.705 9.557 20.734 562 HD12 LEU 75 HD12 LEU 75 15.785 9.384 22.228 563 HD13 LEU 75 HD13 LEU 75 16.584 10.912 21.856 564 HD21 LEU 75 HD21 LEU 75 13.241 9.725 19.522 565 HD22 LEU 75 HD22 LEU 75 13.799 8.662 20.816 566 HD23 LEU 75 HD23 LEU 75 14.785 8.887 19.370 567 H LYS 76 H LYS 76 13.035 11.836 24.798 568 HA LYS 76 HA LYS 76 15.428 11.342 26.099 569 HB2 LYS 76 HB2 LYS 76 14.203 12.141 28.139 570 HB3 LYS 76 HB3 LYS 76 14.044 13.191 26.735 571 HG2 LYS 76 HG2 LYS 76 11.843 12.270 26.274 572 HG3 LYS 76 HG3 LYS 76 11.997 11.175 27.646 573 HD2 LYS 76 HD2 LYS 76 12.114 13.092 29.161 574 HD3 LYS 76 HD3 LYS 76 11.968 14.186 27.782 575 HE2 LYS 76 HE2 LYS 76 9.773 13.286 27.268 576 HE3 LYS 76 HE3 LYS 76 9.919 12.124 28.587 577 HZ1 LYS 76 HZ1 LYS 76 9.991 13.974 30.150 578 HZ2 LYS 76 HZ2 LYS 76 8.569 14.007 29.236 579 HZ3 LYS 76 HZ3 LYS 76 9.824 15.085 28.877 580 H ALA 77 H ALA 77 12.605 9.342 25.904 581 HA ALA 77 HA ALA 77 13.259 7.803 28.269 582 HB1 ALA 77 HB1 ALA 77 11.137 7.279 26.195 583 HB2 ALA 77 HB2 ALA 77 10.923 8.262 27.647 584 HB3 ALA 77 HB3 ALA 77 11.266 6.539 27.792 585 H ALA 78 H ALA 78 14.624 7.861 25.308 586 HA ALA 78 HA ALA 78 14.798 4.988 24.911 587 HB1 ALA 78 HB1 ALA 78 16.194 5.496 22.997 588 HB2 ALA 78 HB2 ALA 78 16.263 7.196 23.468 589 HB3 ALA 78 HB3 ALA 78 14.731 6.483 22.960 590 H LYS 79 H LYS 79 17.185 4.250 24.392 591 HA LYS 79 HA LYS 79 19.074 5.256 26.337 592 HB2 LYS 79 HB2 LYS 79 19.451 2.949 27.276 593 HB3 LYS 79 HB3 LYS 79 17.970 3.731 27.775 594 HG2 LYS 79 HG2 LYS 79 18.021 1.777 25.501 595 HG3 LYS 79 HG3 LYS 79 17.884 1.246 27.176 596 HD2 LYS 79 HD2 LYS 79 16.004 3.179 25.825 597 HD3 LYS 79 HD3 LYS 79 15.700 1.452 26.008 598 HE2 LYS 79 HE2 LYS 79 15.762 1.689 28.434 599 HE3 LYS 79 HE3 LYS 79 16.119 3.409 28.270 600 HZ1 LYS 79 HZ1 LYS 79 13.991 3.791 27.321 601 HZ2 LYS 79 HZ2 LYS 79 13.741 2.869 28.722 602 HZ3 LYS 79 HZ3 LYS 79 13.663 2.132 27.194 603 H LYS 80 H LYS 80 20.987 3.463 26.302 604 HA LYS 80 HA LYS 80 21.993 3.819 23.641 605 HB2 LYS 80 HB2 LYS 80 24.104 2.973 24.509 606 HB3 LYS 80 HB3 LYS 80 23.426 4.160 25.613 607 HG2 LYS 80 HG2 LYS 80 24.097 2.557 27.092 608 HG3 LYS 80 HG3 LYS 80 22.440 2.034 26.797 609 HD2 LYS 80 HD2 LYS 80 23.337 0.481 25.043 610 HD3 LYS 80 HD3 LYS 80 24.962 0.906 25.582 611 HE2 LYS 80 HE2 LYS 80 24.378 0.121 27.847 612 HE3 LYS 80 HE3 LYS 80 22.794 -0.370 27.248 613 HZ1 LYS 80 HZ1 LYS 80 23.894 -1.909 25.728 614 HZ2 LYS 80 HZ2 LYS 80 24.316 -2.235 27.338 615 HZ3 LYS 80 HZ3 LYS 80 25.411 -1.434 26.325 616 H GLY 81 H GLY 81 20.291 1.376 25.170 617 HA2 GLY 81 HA2 GLY 81 21.060 -0.499 23.057 618 HA3 GLY 81 HA3 GLY 81 21.162 -1.032 24.721 619 H SER 82 H SER 82 18.663 0.959 23.158 620 HA SER 82 HA SER 82 16.651 -0.952 23.940 621 HB2 SER 82 HB2 SER 82 15.168 0.761 22.695 622 HB3 SER 82 HB3 SER 82 15.952 1.296 24.178 623 HG SER 82 HG SER 82 16.181 2.305 21.720 624 H MET 83 H MET 83 14.957 -0.682 21.718 625 HA MET 83 HA MET 83 16.519 -1.876 19.543 626 HB2 MET 83 HB2 MET 83 15.325 -3.635 20.876 627 HB3 MET 83 HB3 MET 83 13.805 -2.876 20.427 628 HG2 MET 83 HG2 MET 83 13.925 -4.538 18.873 629 HG3 MET 83 HG3 MET 83 14.693 -3.221 17.993 630 HE1 MET 83 HE1 MET 83 17.146 -3.086 17.353 631 HE2 MET 83 HE2 MET 83 18.407 -4.215 17.844 632 HE3 MET 83 HE3 MET 83 17.731 -3.085 19.019 633 H VAL 84 H VAL 84 16.465 -0.200 18.181 634 HA VAL 84 HA VAL 84 14.029 1.305 17.769 635 HB VAL 84 HB VAL 84 16.740 1.552 16.452 636 HG11 VAL 84 HG11 VAL 84 15.964 3.719 15.654 637 HG12 VAL 84 HG12 VAL 84 14.374 3.415 16.357 638 HG13 VAL 84 HG13 VAL 84 14.956 2.415 15.026 639 HG21 VAL 84 HG21 VAL 84 15.445 3.170 18.640 640 HG22 VAL 84 HG22 VAL 84 17.001 3.523 17.884 641 HG23 VAL 84 HG23 VAL 84 16.793 2.050 18.833 642 H TYR 85 H TYR 85 12.596 0.931 16.215 643 HA TYR 85 HA TYR 85 13.274 -1.125 14.229 644 HB2 TYR 85 HB2 TYR 85 10.618 -0.238 15.348 645 HB3 TYR 85 HB3 TYR 85 10.771 -1.324 13.970 646 HD1 TYR 85 HD1 TYR 85 12.340 -3.390 14.384 647 HD2 TYR 85 HD2 TYR 85 10.416 -1.164 17.455 648 HE1 TYR 85 HE1 TYR 85 12.537 -5.322 15.897 649 HE2 TYR 85 HE2 TYR 85 10.614 -3.081 18.983 650 HH TYR 85 HH TYR 85 10.834 -5.586 18.770 651 H PHE 86 H PHE 86 13.752 -0.404 12.299 652 HA PHE 86 HA PHE 86 12.355 1.999 11.328 653 HB2 PHE 86 HB2 PHE 86 14.837 2.183 11.414 654 HB3 PHE 86 HB3 PHE 86 14.941 0.832 10.293 655 HD1 PHE 86 HD1 PHE 86 13.177 4.103 10.552 656 HD2 PHE 86 HD2 PHE 86 15.266 1.343 8.084 657 HE1 PHE 86 HE1 PHE 86 12.993 5.666 8.658 658 HE2 PHE 86 HE2 PHE 86 15.081 2.894 6.183 659 HZ PHE 86 HZ PHE 86 13.943 5.061 6.468 660 H LYS 87 H LYS 87 10.710 1.509 10.112 661 HA LYS 87 HA LYS 87 10.744 -0.978 8.567 662 HB2 LYS 87 HB2 LYS 87 8.461 0.840 9.352 663 HB3 LYS 87 HB3 LYS 87 8.303 -0.673 8.485 664 HG2 LYS 87 HG2 LYS 87 9.339 -1.813 10.452 665 HG3 LYS 87 HG3 LYS 87 9.234 -0.276 11.307 666 HD2 LYS 87 HD2 LYS 87 6.918 -1.820 10.152 667 HD3 LYS 87 HD3 LYS 87 7.353 -1.727 11.858 668 HE2 LYS 87 HE2 LYS 87 7.014 0.737 11.738 669 HE3 LYS 87 HE3 LYS 87 6.414 0.528 10.088 670 HZ1 LYS 87 HZ1 LYS 87 4.706 -0.988 11.013 671 HZ2 LYS 87 HZ2 LYS 87 4.565 0.601 11.595 672 HZ3 LYS 87 HZ3 LYS 87 5.245 -0.603 12.575 673 H VAL 88 H VAL 88 10.492 -0.980 6.400 674 HA VAL 88 HA VAL 88 9.842 1.520 5.042 675 HB VAL 88 HB VAL 88 12.214 1.603 4.938 676 HG11 VAL 88 HG11 VAL 88 12.175 -1.261 4.001 677 HG12 VAL 88 HG12 VAL 88 12.740 -0.684 5.568 678 HG13 VAL 88 HG13 VAL 88 13.605 -0.235 4.096 679 HG21 VAL 88 HG21 VAL 88 11.126 2.159 2.852 680 HG22 VAL 88 HG22 VAL 88 11.155 0.466 2.357 681 HG23 VAL 88 HG23 VAL 88 12.663 1.356 2.533 682 H GLY 89 H GLY 89 8.133 1.080 3.877 683 HA2 GLY 89 HA2 GLY 89 6.589 -0.052 2.604 684 HA3 GLY 89 HA3 GLY 89 7.932 -1.018 2.004 685 H ASN 90 H ASN 90 8.247 -3.049 2.779 686 HA ASN 90 HA ASN 90 6.470 -3.916 4.961 687 HB2 ASN 90 HB2 ASN 90 5.919 -4.835 2.676 688 HB3 ASN 90 HB3 ASN 90 7.479 -5.647 2.697 689 HD21 ASN 90 HD21 ASN 90 5.408 -5.228 5.501 690 HD22 ASN 90 HD22 ASN 90 5.038 -6.912 5.706 691 H GLU 91 H GLU 91 9.565 -3.177 4.300 692 HA GLU 91 HA GLU 91 10.754 -5.502 5.613 693 HB2 GLU 91 HB2 GLU 91 12.219 -3.088 4.563 694 HB3 GLU 91 HB3 GLU 91 12.874 -4.678 4.921 695 HG2 GLU 91 HG2 GLU 91 11.085 -3.893 2.643 696 HG3 GLU 91 HG3 GLU 91 12.746 -4.467 2.569 697 H THR 92 H THR 92 12.226 -5.206 7.409 698 HA THR 92 HA THR 92 12.038 -2.709 8.885 699 HB THR 92 HB THR 92 11.159 -5.308 10.163 700 HG1 THR 92 HG1 THR 92 9.783 -3.507 8.674 701 HG21 THR 92 HG21 THR 92 12.238 -3.706 11.689 702 HG22 THR 92 HG22 THR 92 10.522 -3.900 12.045 703 HG23 THR 92 HG23 THR 92 11.087 -2.468 11.186 704 H ARG 93 H ARG 93 13.929 -2.281 9.829 705 HA ARG 93 HA ARG 93 15.776 -4.527 10.356 706 HB2 ARG 93 HB2 ARG 93 16.424 -1.642 9.708 707 HB3 ARG 93 HB3 ARG 93 17.608 -2.867 10.134 708 HG2 ARG 93 HG2 ARG 93 15.805 -3.010 7.729 709 HG3 ARG 93 HG3 ARG 93 17.460 -2.404 7.709 710 HD2 ARG 93 HD2 ARG 93 17.565 -4.897 8.991 711 HD3 ARG 93 HD3 ARG 93 16.508 -5.111 7.596 712 HE ARG 93 HE ARG 93 19.220 -3.950 7.377 713 HH11 ARG 93 HH11 ARG 93 16.747 -6.201 6.317 714 HH12 ARG 93 HH12 ARG 93 17.633 -6.730 4.918 715 HH21 ARG 93 HH21 ARG 93 20.402 -4.646 5.540 716 HH22 ARG 93 HH22 ARG 93 19.723 -5.853 4.489 717 H LYS 94 H LYS 94 17.041 -4.395 12.297 718 HA LYS 94 HA LYS 94 15.777 -2.752 14.379 719 HB2 LYS 94 HB2 LYS 94 17.747 -4.937 14.973 720 HB3 LYS 94 HB3 LYS 94 16.438 -4.326 15.966 721 HG2 LYS 94 HG2 LYS 94 14.808 -5.436 14.549 722 HG3 LYS 94 HG3 LYS 94 16.101 -6.017 13.498 723 HD2 LYS 94 HD2 LYS 94 15.648 -6.737 16.395 724 HD3 LYS 94 HD3 LYS 94 15.454 -7.794 14.994 725 HE2 LYS 94 HE2 LYS 94 17.878 -7.515 14.522 726 HE3 LYS 94 HE3 LYS 94 18.027 -6.588 16.014 727 HZ1 LYS 94 HZ1 LYS 94 18.677 -8.834 16.429 728 HZ2 LYS 94 HZ2 LYS 94 17.247 -9.443 15.752 729 HZ3 LYS 94 HZ3 LYS 94 17.193 -8.578 17.209 730 H TYR 95 H TYR 95 16.985 -1.247 15.469 731 HA TYR 95 HA TYR 95 19.863 -1.170 14.856 732 HB2 TYR 95 HB2 TYR 95 17.965 1.178 14.953 733 HB3 TYR 95 HB3 TYR 95 19.716 1.314 14.841 734 HD1 TYR 95 HD1 TYR 95 16.662 0.337 13.058 735 HD2 TYR 95 HD2 TYR 95 20.874 0.827 12.781 736 HE1 TYR 95 HE1 TYR 95 16.522 0.151 10.611 737 HE2 TYR 95 HE2 TYR 95 20.742 0.645 10.335 738 HH TYR 95 HH TYR 95 19.248 -0.283 8.633 739 H LYS 96 H LYS 96 21.228 -0.473 16.437 740 HA LYS 96 HA LYS 96 20.065 -0.293 19.136 741 HB2 LYS 96 HB2 LYS 96 21.516 -2.279 18.653 742 HB3 LYS 96 HB3 LYS 96 22.853 -1.183 18.351 743 HG2 LYS 96 HG2 LYS 96 23.242 -1.791 20.528 744 HG3 LYS 96 HG3 LYS 96 22.304 -0.313 20.752 745 HD2 LYS 96 HD2 LYS 96 21.501 -2.053 22.238 746 HD3 LYS 96 HD3 LYS 96 20.273 -1.660 21.032 747 HE2 LYS 96 HE2 LYS 96 20.890 -3.612 19.735 748 HE3 LYS 96 HE3 LYS 96 22.184 -3.982 20.874 749 HZ1 LYS 96 HZ1 LYS 96 19.302 -3.904 21.579 750 HZ2 LYS 96 HZ2 LYS 96 20.577 -4.387 22.588 751 HZ3 LYS 96 HZ3 LYS 96 20.168 -5.315 21.230 752 H MET 97 H MET 97 20.445 1.515 20.272 753 HA MET 97 HA MET 97 21.673 3.762 18.948 754 HB2 MET 97 HB2 MET 97 20.564 3.615 21.758 755 HB3 MET 97 HB3 MET 97 20.813 5.063 20.792 756 HG2 MET 97 HG2 MET 97 18.886 2.872 20.068 757 HG3 MET 97 HG3 MET 97 18.447 4.313 20.981 758 HE1 MET 97 HE1 MET 97 17.936 6.584 19.968 759 HE2 MET 97 HE2 MET 97 18.640 7.165 18.460 760 HE3 MET 97 HE3 MET 97 19.687 6.734 19.813 761 H THR 98 H THR 98 23.651 2.029 19.236 762 HA THR 98 HA THR 98 24.910 2.233 21.821 763 HB THR 98 HB THR 98 24.962 0.079 20.875 764 HG1 THR 98 HG1 THR 98 27.406 1.437 21.018 765 HG21 THR 98 HG21 THR 98 25.994 -0.411 18.705 766 HG22 THR 98 HG22 THR 98 26.218 1.320 18.442 767 HG23 THR 98 HG23 THR 98 24.593 0.649 18.571 768 H SER 99 H SER 99 24.822 4.328 19.359 769 HA SER 99 HA SER 99 27.334 5.492 20.303 770 HB2 SER 99 HB2 SER 99 26.413 5.311 17.435 771 HB3 SER 99 HB3 SER 99 27.655 6.446 17.974 772 HG SER 99 HG SER 99 28.036 3.845 18.805 773 H ILE 100 H ILE 100 26.718 7.191 21.454 774 HA ILE 100 HA ILE 100 24.511 8.857 20.466 775 HB ILE 100 HB ILE 100 24.902 7.937 23.323 776 HG12 ILE 100 HG12 ILE 100 22.651 7.424 21.363 777 HG13 ILE 100 HG13 ILE 100 23.865 6.249 21.859 778 HG21 ILE 100 HG21 ILE 100 22.856 9.833 22.179 779 HG22 ILE 100 HG22 ILE 100 24.178 10.256 23.266 780 HG23 ILE 100 HG23 ILE 100 22.871 9.216 23.829 781 HD11 ILE 100 HD11 ILE 100 21.756 5.886 23.008 782 HD12 ILE 100 HD12 ILE 100 21.809 7.526 23.653 783 HD13 ILE 100 HD13 ILE 100 23.021 6.345 24.147 784 H ARG 101 H ARG 101 25.771 10.520 19.794 785 HA ARG 101 HA ARG 101 27.047 12.107 21.879 786 HB2 ARG 101 HB2 ARG 101 28.442 11.346 19.312 787 HB3 ARG 101 HB3 ARG 101 29.040 12.516 20.475 788 HG2 ARG 101 HG2 ARG 101 29.175 10.719 22.155 789 HG3 ARG 101 HG3 ARG 101 28.676 9.566 20.916 790 HD2 ARG 101 HD2 ARG 101 31.210 11.176 21.059 791 HD3 ARG 101 HD3 ARG 101 31.030 9.423 21.008 792 HE ARG 101 HE ARG 101 30.465 11.215 18.724 793 HH11 ARG 101 HH11 ARG 101 31.604 8.168 20.026 794 HH12 ARG 101 HH12 ARG 101 32.049 7.528 18.472 795 HH21 ARG 101 HH21 ARG 101 31.088 10.393 16.699 796 HH22 ARG 101 HH22 ARG 101 31.798 8.811 16.580 797 H ASP 102 H ASP 102 26.872 14.282 21.508 798 HA ASP 102 HA ASP 102 25.255 14.981 19.151 799 HB2 ASP 102 HB2 ASP 102 24.403 16.895 20.464 800 HB3 ASP 102 HB3 ASP 102 24.016 15.340 21.190 801 H VAL 103 H VAL 103 25.366 17.444 18.748 802 HA VAL 103 HA VAL 103 28.048 18.527 18.900 803 HB VAL 103 HB VAL 103 28.243 17.034 16.984 804 HG11 VAL 103 HG11 VAL 103 25.835 16.899 16.481 805 HG12 VAL 103 HG12 VAL 103 26.821 17.197 15.045 806 HG13 VAL 103 HG13 VAL 103 25.914 18.518 15.782 807 HG21 VAL 103 HG21 VAL 103 28.886 18.639 15.249 808 HG22 VAL 103 HG22 VAL 103 29.421 19.166 16.845 809 HG23 VAL 103 HG23 VAL 103 28.007 19.908 16.098 810 H LYS 104 H LYS 104 28.067 20.762 18.491 811 HA LYS 104 HA LYS 104 25.419 21.948 18.041 812 HB2 LYS 104 HB2 LYS 104 26.301 23.961 19.190 813 HB3 LYS 104 HB3 LYS 104 26.266 22.536 20.218 814 HG2 LYS 104 HG2 LYS 104 28.708 22.230 19.679 815 HG3 LYS 104 HG3 LYS 104 28.653 23.834 18.941 816 HD2 LYS 104 HD2 LYS 104 29.317 24.389 21.060 817 HD3 LYS 104 HD3 LYS 104 27.567 24.495 21.244 818 HE2 LYS 104 HE2 LYS 104 29.327 22.174 22.032 819 HE3 LYS 104 HE3 LYS 104 28.532 23.305 23.123 820 HZ1 LYS 104 HZ1 LYS 104 26.379 22.476 22.261 821 HZ2 LYS 104 HZ2 LYS 104 27.292 21.276 23.038 822 HZ3 LYS 104 HZ3 LYS 104 27.222 21.317 21.352 823 HA PRO 105 HA PRO 105 27.106 23.257 14.205 824 HB2 PRO 105 HB2 PRO 105 24.800 24.927 13.758 825 HB3 PRO 105 HB3 PRO 105 25.159 23.343 13.071 826 HG2 PRO 105 HG2 PRO 105 23.130 23.818 14.848 827 HG3 PRO 105 HG3 PRO 105 23.920 22.244 14.641 828 HD2 PRO 105 HD2 PRO 105 24.375 24.332 16.742 829 HD3 PRO 105 HD3 PRO 105 24.303 22.563 16.906 830 H THR 106 H THR 106 28.580 24.579 15.830 831 HA THR 106 HA THR 106 28.288 27.401 15.836 832 HB THR 106 HB THR 106 30.889 27.243 16.045 833 HG1 THR 106 HG1 THR 106 31.709 25.261 16.154 834 HG21 THR 106 HG21 THR 106 29.394 27.701 17.931 835 HG22 THR 106 HG22 THR 106 30.695 26.609 18.410 836 HG23 THR 106 HG23 THR 106 29.077 25.974 18.107 837 H ASP 107 H ASP 107 29.467 25.060 13.592 838 HA ASP 107 HA ASP 107 29.237 26.946 11.423 839 HB2 ASP 107 HB2 ASP 107 31.640 27.124 12.152 840 HB3 ASP 107 HB3 ASP 107 31.825 25.408 11.804 841 H VAL 108 H VAL 108 29.251 25.734 9.313 842 HA VAL 108 HA VAL 108 27.903 23.210 9.733 843 HB VAL 108 HB VAL 108 27.438 23.247 7.326 844 HG11 VAL 108 HG11 VAL 108 25.932 24.400 8.857 845 HG12 VAL 108 HG12 VAL 108 26.013 25.233 7.303 846 HG13 VAL 108 HG13 VAL 108 26.885 25.876 8.695 847 HG21 VAL 108 HG21 VAL 108 29.052 25.794 7.314 848 HG22 VAL 108 HG22 VAL 108 28.078 25.193 5.973 849 HG23 VAL 108 HG23 VAL 108 29.481 24.278 6.520 850 H GLU 109 H GLU 109 31.063 24.271 8.828 851 HA GLU 109 HA GLU 109 31.699 21.654 7.660 852 HB2 GLU 109 HB2 GLU 109 33.302 24.213 7.688 853 HB3 GLU 109 HB3 GLU 109 33.757 22.727 6.864 854 HG2 GLU 109 HG2 GLU 109 31.715 22.911 5.494 855 HG3 GLU 109 HG3 GLU 109 31.376 24.459 6.267 856 H VAL 110 H VAL 110 31.316 22.186 10.536 857 HA VAL 110 HA VAL 110 33.815 21.964 11.848 858 HB VAL 110 HB VAL 110 32.548 21.002 13.750 859 HG11 VAL 110 HG11 VAL 110 31.298 23.441 12.495 860 HG12 VAL 110 HG12 VAL 110 32.738 23.413 13.512 861 HG13 VAL 110 HG13 VAL 110 31.172 22.980 14.192 862 HG21 VAL 110 HG21 VAL 110 30.896 19.709 12.518 863 HG22 VAL 110 HG22 VAL 110 30.189 21.193 11.875 864 HG23 VAL 110 HG23 VAL 110 30.093 20.847 13.602 865 H LEU 111 H LEU 111 32.026 19.832 9.914 866 HA LEU 111 HA LEU 111 33.833 17.611 10.578 867 HB2 LEU 111 HB2 LEU 111 30.888 17.381 9.917 868 HB3 LEU 111 HB3 LEU 111 31.981 16.040 10.188 869 HG LEU 111 HG LEU 111 31.276 18.097 12.281 870 HD11 LEU 111 HD11 LEU 111 29.312 16.794 11.676 871 HD12 LEU 111 HD12 LEU 111 29.894 16.341 13.276 872 HD13 LEU 111 HD13 LEU 111 30.221 15.299 11.893 873 HD21 LEU 111 HD21 LEU 111 32.286 16.497 13.827 874 HD22 LEU 111 HD22 LEU 111 33.446 17.038 12.615 875 HD23 LEU 111 HD23 LEU 111 32.703 15.446 12.472 876 H ASP 112 H ASP 112 33.300 15.862 8.623 877 HA ASP 112 HA ASP 112 33.019 17.271 6.088 878 HB2 ASP 112 HB2 ASP 112 35.522 17.111 6.938 879 HB3 ASP 112 HB3 ASP 112 35.390 15.460 6.338 880 H GLU 113 H GLU 113 33.793 15.199 4.401 881 HA GLU 113 HA GLU 113 31.604 13.346 4.927 882 HB2 GLU 113 HB2 GLU 113 32.423 14.595 2.630 883 HB3 GLU 113 HB3 GLU 113 33.156 13.009 2.447 884 HG2 GLU 113 HG2 GLU 113 30.234 13.614 2.842 885 HG3 GLU 113 HG3 GLU 113 31.011 13.039 1.369 886 H GLN 114 H GLN 114 32.533 12.104 6.559 887 HA GLN 114 HA GLN 114 34.955 10.630 6.150 888 HB2 GLN 114 HB2 GLN 114 32.775 10.601 8.206 889 HB3 GLN 114 HB3 GLN 114 33.899 9.253 8.124 890 HG2 GLN 114 HG2 GLN 114 34.554 10.931 9.785 891 HG3 GLN 114 HG3 GLN 114 35.765 10.713 8.531 892 HE21 GLN 114 HE21 GLN 114 36.191 12.381 7.104 893 HE22 GLN 114 HE22 GLN 114 35.617 13.990 7.358 894 H LYS 115 H LYS 115 35.071 9.152 4.610 895 HA LYS 115 HA LYS 115 32.717 8.069 3.417 896 HB2 LYS 115 HB2 LYS 115 34.201 7.023 1.830 897 HB3 LYS 115 HB3 LYS 115 34.719 8.678 2.114 898 HG2 LYS 115 HG2 LYS 115 36.464 7.830 3.644 899 HG3 LYS 115 HG3 LYS 115 35.971 6.183 3.241 900 HD2 LYS 115 HD2 LYS 115 36.402 6.765 0.829 901 HD3 LYS 115 HD3 LYS 115 37.132 8.264 1.403 902 HE2 LYS 115 HE2 LYS 115 38.030 5.479 2.126 903 HE3 LYS 115 HE3 LYS 115 38.814 6.539 0.959 904 HZ1 LYS 115 HZ1 LYS 115 40.016 6.715 2.958 905 HZ2 LYS 115 HZ2 LYS 115 38.616 6.902 3.894 906 HZ3 LYS 115 HZ3 LYS 115 39.105 8.147 2.852 907 H GLY 116 H GLY 116 34.724 7.035 5.967 908 HA2 GLY 116 HA2 GLY 116 34.324 4.218 5.700 909 HA3 GLY 116 HA3 GLY 116 34.846 5.064 7.150 910 H LYS 117 H LYS 117 32.032 4.158 5.242 911 HA LYS 117 HA LYS 117 30.252 4.814 7.471 912 HB2 LYS 117 HB2 LYS 117 29.567 3.836 4.699 913 HB3 LYS 117 HB3 LYS 117 28.431 4.413 5.902 914 HG2 LYS 117 HG2 LYS 117 30.584 6.103 4.652 915 HG3 LYS 117 HG3 LYS 117 28.911 6.037 4.099 916 HD2 LYS 117 HD2 LYS 117 28.309 6.675 6.518 917 HD3 LYS 117 HD3 LYS 117 30.007 7.124 6.672 918 HE2 LYS 117 HE2 LYS 117 28.019 8.241 4.693 919 HE3 LYS 117 HE3 LYS 117 28.681 9.070 6.100 920 HZ1 LYS 117 HZ1 LYS 117 29.862 9.837 4.215 921 HZ2 LYS 117 HZ2 LYS 117 30.125 8.266 3.641 922 HZ3 LYS 117 HZ3 LYS 117 30.913 8.793 5.042 923 H ASP 118 H ASP 118 28.514 3.250 7.938 924 HA ASP 118 HA ASP 118 28.939 0.461 7.253 925 HB2 ASP 118 HB2 ASP 118 30.178 0.982 9.485 926 HB3 ASP 118 HB3 ASP 118 28.568 1.164 10.175 927 H LYS 119 H LYS 119 26.961 -0.615 8.902 928 HA LYS 119 HA LYS 119 24.588 0.641 7.855 929 HB2 LYS 119 HB2 LYS 119 25.102 -1.771 9.556 930 HB3 LYS 119 HB3 LYS 119 23.475 -1.132 9.388 931 HG2 LYS 119 HG2 LYS 119 23.495 -2.718 7.750 932 HG3 LYS 119 HG3 LYS 119 23.991 -1.294 6.840 933 HD2 LYS 119 HD2 LYS 119 26.176 -2.002 6.665 934 HD3 LYS 119 HD3 LYS 119 26.063 -3.037 8.093 935 HE2 LYS 119 HE2 LYS 119 24.676 -3.541 5.461 936 HE3 LYS 119 HE3 LYS 119 26.160 -4.331 5.996 937 HZ1 LYS 119 HZ1 LYS 119 24.950 -5.249 7.879 938 HZ2 LYS 119 HZ2 LYS 119 24.228 -5.717 6.421 939 HZ3 LYS 119 HZ3 LYS 119 23.518 -4.496 7.367 940 H GLN 120 H GLN 120 24.346 2.610 8.754 941 HA GLN 120 HA GLN 120 23.470 2.691 11.506 942 HB2 GLN 120 HB2 GLN 120 25.009 4.477 12.170 943 HB3 GLN 120 HB3 GLN 120 25.899 3.030 11.729 944 HG2 GLN 120 HG2 GLN 120 26.387 4.004 9.536 945 HG3 GLN 120 HG3 GLN 120 25.508 5.459 9.997 946 HE21 GLN 120 HE21 GLN 120 27.255 6.801 9.797 947 HE22 GLN 120 HE22 GLN 120 28.609 6.771 10.878 948 H LEU 121 H LEU 121 21.921 4.229 11.774 949 HA LEU 121 HA LEU 121 21.453 6.001 9.485 950 HB2 LEU 121 HB2 LEU 121 19.539 5.695 11.776 951 HB3 LEU 121 HB3 LEU 121 19.215 6.188 10.120 952 HG LEU 121 HG LEU 121 19.931 3.377 10.972 953 HD11 LEU 121 HD11 LEU 121 17.574 2.883 10.509 954 HD12 LEU 121 HD12 LEU 121 17.276 4.599 10.236 955 HD13 LEU 121 HD13 LEU 121 17.759 4.032 11.833 956 HD21 LEU 121 HD21 LEU 121 19.266 2.769 8.708 957 HD22 LEU 121 HD22 LEU 121 20.606 3.917 8.678 958 HD23 LEU 121 HD23 LEU 121 18.966 4.465 8.328 959 H THR 122 H THR 122 22.017 8.055 9.651 960 HA THR 122 HA THR 122 22.997 9.067 12.178 961 HB THR 122 HB THR 122 22.787 10.657 9.627 962 HG1 THR 122 HG1 THR 122 24.361 9.526 8.765 963 HG21 THR 122 HG21 THR 122 23.467 11.863 11.642 964 HG22 THR 122 HG22 THR 122 24.805 11.745 10.501 965 HG23 THR 122 HG23 THR 122 24.759 10.693 11.917 966 H LEU 123 H LEU 123 20.944 9.102 13.317 967 HA LEU 123 HA LEU 123 18.824 10.784 12.408 968 HB2 LEU 123 HB2 LEU 123 19.417 9.478 15.049 969 HB3 LEU 123 HB3 LEU 123 18.069 10.578 14.855 970 HG LEU 123 HG LEU 123 17.306 9.033 12.959 971 HD11 LEU 123 HD11 LEU 123 18.017 6.711 13.140 972 HD12 LEU 123 HD12 LEU 123 19.216 7.170 14.348 973 HD13 LEU 123 HD13 LEU 123 19.357 7.769 12.694 974 HD21 LEU 123 HD21 LEU 123 16.148 9.205 15.075 975 HD22 LEU 123 HD22 LEU 123 17.284 8.075 15.815 976 HD23 LEU 123 HD23 LEU 123 16.194 7.523 14.541 977 H ILE 124 H ILE 124 19.195 12.874 12.151 978 HA ILE 124 HA ILE 124 20.834 14.352 14.023 979 HB ILE 124 HB ILE 124 19.171 15.452 11.749 980 HG12 ILE 124 HG12 ILE 124 22.092 14.646 11.761 981 HG13 ILE 124 HG13 ILE 124 20.800 13.770 10.949 982 HG21 ILE 124 HG21 ILE 124 19.828 17.130 13.383 983 HG22 ILE 124 HG22 ILE 124 20.715 17.356 11.877 984 HG23 ILE 124 HG23 ILE 124 21.510 16.612 13.263 985 HD11 ILE 124 HD11 ILE 124 20.406 15.716 9.510 986 HD12 ILE 124 HD12 ILE 124 22.053 15.102 9.370 987 HD13 ILE 124 HD13 ILE 124 21.732 16.560 10.309 988 H THR 125 H THR 125 19.543 13.855 15.866 989 HA THR 125 HA THR 125 16.853 14.830 16.092 990 HB THR 125 HB THR 125 18.750 13.917 18.273 991 HG1 THR 125 HG1 THR 125 18.607 12.096 17.191 992 HG21 THR 125 HG21 THR 125 15.730 13.939 18.164 993 HG22 THR 125 HG22 THR 125 16.736 15.036 19.111 994 HG23 THR 125 HG23 THR 125 16.714 13.312 19.486 995 H CYS 126 H CYS 126 16.964 17.057 15.665 996 HA CYS 126 HA CYS 126 18.741 18.615 17.408 997 HB2 CYS 126 HB2 CYS 126 18.749 20.342 15.709 998 HB3 CYS 126 HB3 CYS 126 19.231 18.800 15.010 999 H ASP 127 H ASP 127 17.755 19.467 19.054 1000 HA ASP 127 HA ASP 127 15.058 20.612 18.731 1001 HB2 ASP 127 HB2 ASP 127 15.230 18.912 20.509 1002 HB3 ASP 127 HB3 ASP 127 16.551 19.807 21.251 1003 H ASP 128 H ASP 128 14.729 22.681 19.960 1004 HA ASP 128 HA ASP 128 15.288 24.773 20.657 1005 HB2 ASP 128 HB2 ASP 128 17.007 24.041 22.088 1006 HB3 ASP 128 HB3 ASP 128 18.041 23.567 20.744 1007 H TYR 129 H TYR 129 15.154 26.492 19.468 1008 HA TYR 129 HA TYR 129 17.102 27.397 17.684 1009 HB2 TYR 129 HB2 TYR 129 16.154 27.108 15.538 1010 HB3 TYR 129 HB3 TYR 129 16.019 25.524 16.287 1011 HD1 TYR 129 HD1 TYR 129 13.757 24.841 17.249 1012 HD2 TYR 129 HD2 TYR 129 14.268 28.236 14.732 1013 HE1 TYR 129 HE1 TYR 129 11.346 24.841 16.763 1014 HE2 TYR 129 HE2 TYR 129 11.860 28.245 14.243 1015 HH TYR 129 HH TYR 129 9.617 26.364 16.001 1016 H ASN 130 H ASN 130 16.522 29.494 16.803 1017 HA ASN 130 HA ASN 130 14.023 30.586 17.924 1018 HB2 ASN 130 HB2 ASN 130 16.092 31.408 19.098 1019 HB3 ASN 130 HB3 ASN 130 16.603 32.134 17.577 1020 HD21 ASN 130 HD21 ASN 130 15.971 33.343 20.170 1021 HD22 ASN 130 HD22 ASN 130 14.733 34.521 19.854 1022 H GLU 131 H GLU 131 12.669 31.220 16.415 1023 HA GLU 131 HA GLU 131 13.376 31.220 13.660 1024 HB2 GLU 131 HB2 GLU 131 10.981 32.028 13.386 1025 HB3 GLU 131 HB3 GLU 131 11.197 30.480 14.193 1026 HG2 GLU 131 HG2 GLU 131 10.870 31.520 16.350 1027 HG3 GLU 131 HG3 GLU 131 10.759 33.106 15.595 1028 H LYS 132 H LYS 132 13.010 33.710 16.076 1029 HA LYS 132 HA LYS 132 12.702 35.882 14.247 1030 HB2 LYS 132 HB2 LYS 132 12.127 35.693 16.807 1031 HB3 LYS 132 HB3 LYS 132 13.786 36.217 17.024 1032 HG2 LYS 132 HG2 LYS 132 11.700 37.738 15.470 1033 HG3 LYS 132 HG3 LYS 132 12.144 38.056 17.146 1034 HD2 LYS 132 HD2 LYS 132 14.432 38.560 16.443 1035 HD3 LYS 132 HD3 LYS 132 13.993 38.231 14.767 1036 HE2 LYS 132 HE2 LYS 132 12.888 40.415 16.528 1037 HE3 LYS 132 HE3 LYS 132 13.988 40.620 15.166 1038 HZ1 LYS 132 HZ1 LYS 132 12.210 39.662 13.735 1039 HZ2 LYS 132 HZ2 LYS 132 11.798 41.148 14.441 1040 HZ3 LYS 132 HZ3 LYS 132 11.162 39.709 15.070 1041 H THR 133 H THR 133 15.391 35.066 16.439 1042 HA THR 133 HA THR 133 17.140 36.860 15.039 1043 HB THR 133 HB THR 133 18.834 36.099 16.695 1044 HG1 THR 133 HG1 THR 133 18.102 34.693 18.357 1045 HG21 THR 133 HG21 THR 133 17.400 37.993 17.203 1046 HG22 THR 133 HG22 THR 133 17.673 37.041 18.663 1047 HG23 THR 133 HG23 THR 133 16.142 36.911 17.800 1048 H GLY 134 H GLY 134 16.880 33.344 15.420 1049 HA2 GLY 134 HA2 GLY 134 17.471 31.826 13.689 1050 HA3 GLY 134 HA3 GLY 134 18.548 33.046 13.026 1051 H VAL 135 H VAL 135 18.172 31.434 16.181 1052 HA VAL 135 HA VAL 135 21.028 30.745 16.046 1053 HB VAL 135 HB VAL 135 20.539 32.457 17.780 1054 HG11 VAL 135 HG11 VAL 135 19.326 31.798 19.802 1055 HG12 VAL 135 HG12 VAL 135 18.910 30.265 19.035 1056 HG13 VAL 135 HG13 VAL 135 18.294 31.777 18.372 1057 HG21 VAL 135 HG21 VAL 135 22.458 31.015 18.064 1058 HG22 VAL 135 HG22 VAL 135 21.449 29.775 18.811 1059 HG23 VAL 135 HG23 VAL 135 21.705 31.316 19.632 1060 H TRP 136 H TRP 136 21.637 28.750 17.011 1061 HA TRP 136 HA TRP 136 19.572 26.829 17.673 1062 HB2 TRP 136 HB2 TRP 136 20.577 25.231 15.910 1063 HB3 TRP 136 HB3 TRP 136 19.483 26.486 15.341 1064 HD1 TRP 136 HD1 TRP 136 23.284 25.776 15.532 1065 HE1 TRP 136 HE1 TRP 136 24.433 27.020 13.597 1066 HE3 TRP 136 HE3 TRP 136 19.229 28.261 13.655 1067 HZ2 TRP 136 HZ2 TRP 136 23.710 28.812 11.538 1068 HZ3 TRP 136 HZ3 TRP 136 19.545 29.721 11.701 1069 HH2 TRP 136 HH2 TRP 136 21.739 29.991 10.665 1070 H GLU 137 H GLU 137 20.331 25.340 19.116 1071 HA GLU 137 HA GLU 137 23.251 25.297 19.522 1072 HB2 GLU 137 HB2 GLU 137 21.088 24.874 21.579 1073 HB3 GLU 137 HB3 GLU 137 22.818 24.811 21.878 1074 HG2 GLU 137 HG2 GLU 137 22.966 27.185 21.192 1075 HG3 GLU 137 HG3 GLU 137 21.208 27.212 21.063 1076 H LYS 138 H LYS 138 20.538 23.253 20.602 1077 HA LYS 138 HA LYS 138 22.393 21.085 20.873 1078 HB2 LYS 138 HB2 LYS 138 20.515 21.710 22.477 1079 HB3 LYS 138 HB3 LYS 138 19.422 20.947 21.330 1080 HG2 LYS 138 HG2 LYS 138 19.994 19.418 23.120 1081 HG3 LYS 138 HG3 LYS 138 20.636 18.837 21.581 1082 HD2 LYS 138 HD2 LYS 138 22.841 19.642 22.146 1083 HD3 LYS 138 HD3 LYS 138 22.230 20.382 23.626 1084 HE2 LYS 138 HE2 LYS 138 21.630 18.163 24.477 1085 HE3 LYS 138 HE3 LYS 138 22.256 17.432 22.999 1086 HZ1 LYS 138 HZ1 LYS 138 23.881 19.055 24.886 1087 HZ2 LYS 138 HZ2 LYS 138 24.450 18.195 23.537 1088 HZ3 LYS 138 HZ3 LYS 138 23.832 17.360 24.878 1089 H ARG 139 H ARG 139 22.997 20.271 18.905 1090 HA ARG 139 HA ARG 139 20.859 18.892 17.431 1091 HB2 ARG 139 HB2 ARG 139 23.538 19.921 16.604 1092 HB3 ARG 139 HB3 ARG 139 22.921 18.481 15.805 1093 HG2 ARG 139 HG2 ARG 139 22.405 20.512 14.559 1094 HG3 ARG 139 HG3 ARG 139 20.941 19.692 15.103 1095 HD2 ARG 139 HD2 ARG 139 20.925 21.264 17.065 1096 HD3 ARG 139 HD3 ARG 139 22.220 22.156 16.264 1097 HE ARG 139 HE ARG 139 20.446 22.188 14.323 1098 HH11 ARG 139 HH11 ARG 139 19.880 22.552 17.771 1099 HH12 ARG 139 HH12 ARG 139 18.499 23.586 17.577 1100 HH21 ARG 139 HH21 ARG 139 18.625 23.548 14.066 1101 HH22 ARG 139 HH22 ARG 139 17.795 24.161 15.463 1102 H LYS 140 H LYS 140 20.573 17.138 18.704 1103 HA LYS 140 HA LYS 140 22.908 15.703 19.694 1104 HB2 LYS 140 HB2 LYS 140 20.491 16.263 20.842 1105 HB3 LYS 140 HB3 LYS 140 20.196 14.643 20.231 1106 HG2 LYS 140 HG2 LYS 140 22.322 15.495 22.182 1107 HG3 LYS 140 HG3 LYS 140 20.910 14.490 22.503 1108 HD2 LYS 140 HD2 LYS 140 21.839 12.816 20.893 1109 HD3 LYS 140 HD3 LYS 140 23.303 13.797 20.806 1110 HE2 LYS 140 HE2 LYS 140 22.163 12.428 23.235 1111 HE3 LYS 140 HE3 LYS 140 23.646 12.014 22.381 1112 HZ1 LYS 140 HZ1 LYS 140 23.110 14.429 24.019 1113 HZ2 LYS 140 HZ2 LYS 140 24.467 14.287 23.011 1114 HZ3 LYS 140 HZ3 LYS 140 24.258 13.211 24.303 1115 H ILE 141 H ILE 141 23.749 14.587 17.972 1116 HA ILE 141 HA ILE 141 22.061 13.176 16.158 1117 HB ILE 141 HB ILE 141 25.050 13.185 16.515 1118 HG12 ILE 141 HG12 ILE 141 23.183 14.513 14.545 1119 HG13 ILE 141 HG13 ILE 141 24.228 15.302 15.722 1120 HG21 ILE 141 HG21 ILE 141 25.156 12.036 14.353 1121 HG22 ILE 141 HG22 ILE 141 23.399 11.880 14.365 1122 HG23 ILE 141 HG23 ILE 141 24.368 11.062 15.591 1123 HD11 ILE 141 HD11 ILE 141 25.126 13.732 13.324 1124 HD12 ILE 141 HD12 ILE 141 26.185 14.501 14.505 1125 HD13 ILE 141 HD13 ILE 141 25.136 15.489 13.488 1126 H PHE 142 H PHE 142 21.562 11.115 16.127 1127 HA PHE 142 HA PHE 142 22.591 9.405 18.286 1128 HB2 PHE 142 HB2 PHE 142 19.784 9.638 17.209 1129 HB3 PHE 142 HB3 PHE 142 20.327 8.211 18.085 1130 HD1 PHE 142 HD1 PHE 142 21.104 8.457 20.450 1131 HD2 PHE 142 HD2 PHE 142 19.153 11.598 18.351 1132 HE1 PHE 142 HE1 PHE 142 20.594 9.566 22.586 1133 HE2 PHE 142 HE2 PHE 142 18.641 12.712 20.481 1134 HZ PHE 142 HZ PHE 142 19.361 11.698 22.604 1135 H VAL 143 H VAL 143 23.920 8.006 17.413 1136 HA VAL 143 HA VAL 143 23.442 7.071 14.684 1137 HB VAL 143 HB VAL 143 25.874 6.686 16.435 1138 HG11 VAL 143 HG11 VAL 143 26.984 5.991 14.366 1139 HG12 VAL 143 HG12 VAL 143 25.468 6.192 13.484 1140 HG13 VAL 143 HG13 VAL 143 25.605 4.950 14.728 1141 HG21 VAL 143 HG21 VAL 143 26.932 8.386 14.995 1142 HG22 VAL 143 HG22 VAL 143 25.566 9.039 15.904 1143 HG23 VAL 143 HG23 VAL 143 25.382 8.648 14.193 1144 H ALA 144 H ALA 144 22.027 5.445 14.757 1145 HA ALA 144 HA ALA 144 22.415 3.326 16.736 1146 HB1 ALA 144 HB1 ALA 144 20.199 2.554 16.128 1147 HB2 ALA 144 HB2 ALA 144 20.104 3.765 14.848 1148 HB3 ALA 144 HB3 ALA 144 20.159 4.269 16.537 1149 H THR 145 H THR 145 23.712 1.761 16.130 1150 HA THR 145 HA THR 145 24.279 1.200 13.374 1151 HB THR 145 HB THR 145 25.092 -0.531 15.705 1152 HG1 THR 145 HG1 THR 145 26.449 1.827 14.805 1153 HG21 THR 145 HG21 THR 145 25.621 -1.324 13.434 1154 HG22 THR 145 HG22 THR 145 27.082 -0.920 14.335 1155 HG23 THR 145 HG23 THR 145 26.470 0.190 13.108 1156 H GLU 146 H GLU 146 23.592 -0.511 12.168 1157 HA GLU 146 HA GLU 146 21.074 -1.632 12.773 1158 HB2 GLU 146 HB2 GLU 146 21.841 -1.251 10.476 1159 HB3 GLU 146 HB3 GLU 146 23.107 -2.450 10.690 1160 HG2 GLU 146 HG2 GLU 146 21.355 -4.166 11.039 1161 HG3 GLU 146 HG3 GLU 146 20.138 -2.944 10.676 1162 H VAL 147 H VAL 147 20.497 -3.442 13.741 1163 HA VAL 147 HA VAL 147 22.588 -5.394 14.445 1164 HB VAL 147 HB VAL 147 19.962 -5.647 15.755 1165 HG11 VAL 147 HG11 VAL 147 21.867 -7.060 16.331 1166 HG12 VAL 147 HG12 VAL 147 21.333 -6.103 17.715 1167 HG13 VAL 147 HG13 VAL 147 22.778 -5.631 16.824 1168 HG21 VAL 147 HG21 VAL 147 20.154 -3.225 15.749 1169 HG22 VAL 147 HG22 VAL 147 21.770 -3.345 16.443 1170 HG23 VAL 147 HG23 VAL 147 20.368 -3.866 17.378 1171 H LYS 148 H LYS 148 21.971 -7.623 14.301 1172 HA LYS 148 HA LYS 148 20.144 -8.028 12.044 1173 HB2 LYS 148 HB2 LYS 148 21.594 -10.051 11.572 1174 HB3 LYS 148 HB3 LYS 148 22.334 -8.479 11.305 1175 HG2 LYS 148 HG2 LYS 148 23.346 -8.703 13.603 1176 HG3 LYS 148 HG3 LYS 148 22.799 -10.380 13.582 1177 HD2 LYS 148 HD2 LYS 148 24.058 -10.665 11.437 1178 HD3 LYS 148 HD3 LYS 148 24.724 -9.050 11.690 1179 HE2 LYS 148 HE2 LYS 148 26.287 -10.720 12.476 1180 HE3 LYS 148 HE3 LYS 148 25.655 -9.797 13.840 1181 HZ1 LYS 148 HZ1 LYS 148 24.096 -11.610 14.279 1182 HZ2 LYS 148 HZ2 LYS 148 25.705 -12.141 14.350 1183 HZ3 LYS 148 HZ3 LYS 148 24.754 -12.497 12.994 1184 H6 2W7 201 H6 2W7 201 17.011 19.016 11.434 1185 H7 2W7 201 H7 2W7 201 17.908 18.182 9.282 1186 H8 2W7 201 H8 2W7 201 19.920 19.228 8.284 1187 H9 2W7 201 H9 2W7 201 21.046 21.109 9.442 1188 H3 2W7 201 H3 2W7 201 20.119 23.599 10.309 1189 H122 2W7 201 H122 2W7 201 22.140 24.624 10.434 1190 H121 2W7 201 H121 2W7 201 22.246 24.081 12.121 1191 H4 2W7 201 H4 2W7 201 23.185 22.021 12.622 1192 HZ12 2W7 201 HZ12 2W7 201 23.944 19.642 13.040 1193 HZ11 2W7 201 HZ11 2W7 201 25.190 20.820 13.499 1194 HY1 2W7 201 HY1 2W7 201 26.125 18.543 13.370 1195 HX22 2W7 201 HX22 2W7 201 26.236 17.386 11.206 1196 HX21 2W7 201 HX21 2W7 201 24.548 17.643 11.715 1197 HY3 2W7 201 HY3 2W7 201 24.855 18.241 9.315 1198 HZ21 2W7 201 HZ21 2W7 201 23.205 19.469 10.684 1199 HZ22 2W7 201 HZ22 2W7 201 23.918 20.506 9.438 1200 HX31 2W7 201 HX31 2W7 201 27.239 18.850 9.465 1201 HX32 2W7 201 HX32 2W7 201 26.296 20.155 8.724 1202 HY2 2W7 201 HY2 2W7 201 27.868 21.054 10.404 1203 HZ32 2W7 201 HZ32 2W7 201 25.699 22.184 10.081 1204 HZ31 2W7 201 HZ31 2W7 201 26.231 22.290 11.769 1205 HX12 2W7 201 HX12 2W7 201 27.986 19.041 11.813 1206 HX11 2W7 201 HX11 2W7 201 27.558 20.465 12.781 Start of MODEL 6 1 HA MET 1 HA MET 1 2.168 -5.047 2.160 2 HB2 MET 1 HB2 MET 1 1.298 -7.281 0.312 3 HB3 MET 1 HB3 MET 1 2.838 -7.168 1.148 4 HG2 MET 1 HG2 MET 1 1.642 -8.691 2.407 5 HG3 MET 1 HG3 MET 1 1.449 -7.184 3.299 6 HE1 MET 1 HE1 MET 1 -1.784 -9.146 0.659 7 HE2 MET 1 HE2 MET 1 -0.201 -9.843 0.999 8 HE3 MET 1 HE3 MET 1 -0.331 -8.411 -0.021 9 H GLN 2 H GLN 2 4.032 -4.780 0.826 10 HA GLN 2 HA GLN 2 3.767 -4.431 -2.006 11 HB2 GLN 2 HB2 GLN 2 4.459 -2.082 -2.070 12 HB3 GLN 2 HB3 GLN 2 2.905 -2.258 -1.263 13 HG2 GLN 2 HG2 GLN 2 4.033 -2.088 0.911 14 HG3 GLN 2 HG3 GLN 2 5.573 -1.872 0.081 15 HE21 GLN 2 HE21 GLN 2 4.219 -0.104 1.926 16 HE22 GLN 2 HE22 GLN 2 3.978 1.388 1.092 17 H ALA 3 H ALA 3 5.899 -3.525 -2.880 18 HA ALA 3 HA ALA 3 8.108 -4.952 -1.732 19 HB1 ALA 3 HB1 ALA 3 7.884 -4.788 -4.130 20 HB2 ALA 3 HB2 ALA 3 9.361 -3.963 -3.629 21 HB3 ALA 3 HB3 ALA 3 7.922 -3.029 -4.042 22 H LYS 4 H LYS 4 10.286 -3.634 -1.658 23 HA LYS 4 HA LYS 4 9.954 -1.595 0.336 24 HB2 LYS 4 HB2 LYS 4 12.434 -1.439 0.285 25 HB3 LYS 4 HB3 LYS 4 11.843 -3.070 0.555 26 HG2 LYS 4 HG2 LYS 4 12.306 -3.642 -1.764 27 HG3 LYS 4 HG3 LYS 4 12.852 -1.992 -2.072 28 HD2 LYS 4 HD2 LYS 4 14.672 -2.264 -0.497 29 HD3 LYS 4 HD3 LYS 4 14.089 -3.873 -0.064 30 HE2 LYS 4 HE2 LYS 4 14.497 -4.635 -2.352 31 HE3 LYS 4 HE3 LYS 4 15.075 -3.026 -2.786 32 HZ1 LYS 4 HZ1 LYS 4 16.311 -4.778 -0.730 33 HZ2 LYS 4 HZ2 LYS 4 16.892 -3.267 -1.241 34 HZ3 LYS 4 HZ3 LYS 4 16.888 -4.582 -2.313 35 HA PRO 5 HA PRO 5 9.526 1.525 -2.796 36 HB2 PRO 5 HB2 PRO 5 8.722 3.508 -1.164 37 HB3 PRO 5 HB3 PRO 5 7.655 2.174 -1.623 38 HG2 PRO 5 HG2 PRO 5 9.156 2.626 0.913 39 HG3 PRO 5 HG3 PRO 5 7.546 1.925 0.669 40 HD2 PRO 5 HD2 PRO 5 9.858 0.475 1.120 41 HD3 PRO 5 HD3 PRO 5 8.388 -0.166 0.363 42 H GLN 6 H GLN 6 10.984 2.831 -3.668 43 HA GLN 6 HA GLN 6 13.152 3.823 -1.984 44 HB2 GLN 6 HB2 GLN 6 12.800 3.826 -4.989 45 HB3 GLN 6 HB3 GLN 6 14.202 4.478 -4.149 46 HG2 GLN 6 HG2 GLN 6 13.282 1.614 -4.108 47 HG3 GLN 6 HG3 GLN 6 14.652 2.256 -5.014 48 HE21 GLN 6 HE21 GLN 6 14.458 0.218 -2.874 49 HE22 GLN 6 HE22 GLN 6 15.574 0.726 -1.659 50 H ILE 7 H ILE 7 13.857 6.045 -2.317 51 HA ILE 7 HA ILE 7 11.816 7.835 -1.642 52 HB ILE 7 HB ILE 7 14.660 8.352 -2.525 53 HG12 ILE 7 HG12 ILE 7 13.531 8.383 0.264 54 HG13 ILE 7 HG13 ILE 7 14.073 6.887 -0.484 55 HG21 ILE 7 HG21 ILE 7 12.764 10.201 -1.079 56 HG22 ILE 7 HG22 ILE 7 13.281 10.378 -2.754 57 HG23 ILE 7 HG23 ILE 7 14.455 10.526 -1.446 58 HD11 ILE 7 HD11 ILE 7 15.769 9.321 -0.022 59 HD12 ILE 7 HD12 ILE 7 16.301 7.783 -0.707 60 HD13 ILE 7 HD13 ILE 7 15.753 7.859 0.965 61 HA PRO 8 HA PRO 8 10.595 8.510 -5.868 62 HB2 PRO 8 HB2 PRO 8 8.016 8.936 -5.350 63 HB3 PRO 8 HB3 PRO 8 8.747 7.345 -5.112 64 HG2 PRO 8 HG2 PRO 8 7.899 9.350 -3.107 65 HG3 PRO 8 HG3 PRO 8 8.013 7.589 -2.961 66 HD2 PRO 8 HD2 PRO 8 9.915 9.561 -2.106 67 HD3 PRO 8 HD3 PRO 8 10.043 7.795 -1.981 68 H LYS 9 H LYS 9 9.090 10.115 -6.971 69 HA LYS 9 HA LYS 9 10.067 12.715 -6.761 70 HB2 LYS 9 HB2 LYS 9 9.212 11.682 -8.803 71 HB3 LYS 9 HB3 LYS 9 7.608 11.630 -8.101 72 HG2 LYS 9 HG2 LYS 9 7.409 13.976 -8.165 73 HG3 LYS 9 HG3 LYS 9 9.112 14.166 -8.575 74 HD2 LYS 9 HD2 LYS 9 7.088 12.757 -10.311 75 HD3 LYS 9 HD3 LYS 9 7.592 14.436 -10.530 76 HE2 LYS 9 HE2 LYS 9 9.823 13.792 -11.020 77 HE3 LYS 9 HE3 LYS 9 9.530 12.136 -10.499 78 HZ1 LYS 9 HZ1 LYS 9 8.208 13.398 -12.841 79 HZ2 LYS 9 HZ2 LYS 9 8.140 11.765 -12.380 80 HZ3 LYS 9 HZ3 LYS 9 9.598 12.429 -12.934 81 H ASP 10 H ASP 10 6.987 11.294 -5.750 82 HA ASP 10 HA ASP 10 6.030 13.702 -4.532 83 HB2 ASP 10 HB2 ASP 10 5.133 10.830 -4.480 84 HB3 ASP 10 HB3 ASP 10 4.393 12.031 -3.429 85 H LYS 11 H LYS 11 7.044 14.521 -2.815 86 HA LYS 11 HA LYS 11 8.505 12.810 -1.006 87 HB2 LYS 11 HB2 LYS 11 8.094 15.799 -0.826 88 HB3 LYS 11 HB3 LYS 11 9.302 14.845 0.010 89 HG2 LYS 11 HG2 LYS 11 9.162 15.186 -2.979 90 HG3 LYS 11 HG3 LYS 11 10.230 16.087 -1.898 91 HD2 LYS 11 HD2 LYS 11 11.266 13.977 -1.187 92 HD3 LYS 11 HD3 LYS 11 10.212 13.094 -2.290 93 HE2 LYS 11 HE2 LYS 11 12.091 15.251 -3.209 94 HE3 LYS 11 HE3 LYS 11 12.573 13.561 -3.088 95 HZ1 LYS 11 HZ1 LYS 11 10.346 14.607 -4.750 96 HZ2 LYS 11 HZ2 LYS 11 10.818 12.986 -4.636 97 HZ3 LYS 11 HZ3 LYS 11 11.866 14.128 -5.328 98 H SER 12 H SER 12 5.346 13.429 -1.238 99 HA SER 12 HA SER 12 4.873 13.656 1.635 100 HB2 SER 12 HB2 SER 12 2.933 13.652 -0.688 101 HB3 SER 12 HB3 SER 12 2.503 13.898 1.002 102 HG SER 12 HG SER 12 4.496 15.562 0.264 103 H LYS 13 H LYS 13 5.474 11.292 -0.585 104 HA LYS 13 HA LYS 13 3.679 9.310 0.586 105 HB2 LYS 13 HB2 LYS 13 5.801 8.939 -1.544 106 HB3 LYS 13 HB3 LYS 13 4.560 7.779 -1.088 107 HG2 LYS 13 HG2 LYS 13 4.065 10.465 -2.358 108 HG3 LYS 13 HG3 LYS 13 4.032 8.907 -3.184 109 HD2 LYS 13 HD2 LYS 13 2.151 8.193 -1.860 110 HD3 LYS 13 HD3 LYS 13 2.232 9.661 -0.884 111 HE2 LYS 13 HE2 LYS 13 0.461 9.872 -2.512 112 HE3 LYS 13 HE3 LYS 13 1.760 10.993 -2.908 113 HZ1 LYS 13 HZ1 LYS 13 1.093 8.434 -4.247 114 HZ2 LYS 13 HZ2 LYS 13 2.560 9.237 -4.505 115 HZ3 LYS 13 HZ3 LYS 13 1.103 9.994 -4.916 116 H VAL 14 H VAL 14 4.333 8.678 2.550 117 HA VAL 14 HA VAL 14 6.979 8.724 3.456 118 HB VAL 14 HB VAL 14 5.209 8.789 5.061 119 HG11 VAL 14 HG11 VAL 14 4.462 6.015 4.164 120 HG12 VAL 14 HG12 VAL 14 3.521 7.482 3.906 121 HG13 VAL 14 HG13 VAL 14 3.774 6.871 5.542 122 HG21 VAL 14 HG21 VAL 14 5.919 7.011 6.615 123 HG22 VAL 14 HG22 VAL 14 7.272 7.846 5.849 124 HG23 VAL 14 HG23 VAL 14 6.795 6.242 5.290 125 H ALA 15 H ALA 15 8.605 7.475 3.055 126 HA ALA 15 HA ALA 15 8.223 5.034 1.540 127 HB1 ALA 15 HB1 ALA 15 9.876 6.700 0.808 128 HB2 ALA 15 HB2 ALA 15 10.617 5.134 1.142 129 HB3 ALA 15 HB3 ALA 15 10.776 6.452 2.305 130 H GLY 16 H GLY 16 9.134 6.013 4.751 131 HA2 GLY 16 HA2 GLY 16 9.381 3.201 5.502 132 HA3 GLY 16 HA3 GLY 16 10.764 4.241 5.811 133 H TYR 17 H TYR 17 9.334 2.831 7.796 134 HA TYR 17 HA TYR 17 8.078 5.063 9.267 135 HB2 TYR 17 HB2 TYR 17 6.885 2.644 8.658 136 HB3 TYR 17 HB3 TYR 17 7.514 2.367 10.277 137 HD1 TYR 17 HD1 TYR 17 5.602 4.954 8.373 138 HD2 TYR 17 HD2 TYR 17 6.203 2.962 12.084 139 HE1 TYR 17 HE1 TYR 17 3.707 6.192 9.334 140 HE2 TYR 17 HE2 TYR 17 4.305 4.187 13.056 141 HH TYR 17 HH TYR 17 3.067 6.260 12.681 142 H ILE 18 H ILE 18 8.802 5.487 11.315 143 HA ILE 18 HA ILE 18 10.967 3.755 12.300 144 HB ILE 18 HB ILE 18 11.767 5.986 11.614 145 HG12 ILE 18 HG12 ILE 18 12.897 6.571 13.791 146 HG13 ILE 18 HG13 ILE 18 11.887 5.351 14.563 147 HG21 ILE 18 HG21 ILE 18 11.180 7.977 12.871 148 HG22 ILE 18 HG22 ILE 18 10.012 7.050 13.814 149 HG23 ILE 18 HG23 ILE 18 9.762 7.287 12.083 150 HD11 ILE 18 HD11 ILE 18 12.850 3.636 13.155 151 HD12 ILE 18 HD12 ILE 18 14.113 4.507 14.028 152 HD13 ILE 18 HD13 ILE 18 13.821 4.849 12.322 153 H GLU 19 H GLU 19 10.687 2.845 14.236 154 HA GLU 19 HA GLU 19 8.589 3.883 16.001 155 HB2 GLU 19 HB2 GLU 19 8.861 0.993 15.141 156 HB3 GLU 19 HB3 GLU 19 7.771 1.572 16.392 157 HG2 GLU 19 HG2 GLU 19 6.654 2.987 14.687 158 HG3 GLU 19 HG3 GLU 19 7.677 2.241 13.461 159 H ILE 20 H ILE 20 9.323 4.150 17.971 160 HA ILE 20 HA ILE 20 11.398 2.328 19.004 161 HB ILE 20 HB ILE 20 11.256 5.305 19.545 162 HG12 ILE 20 HG12 ILE 20 13.340 3.736 18.016 163 HG13 ILE 20 HG13 ILE 20 12.056 4.663 17.252 164 HG21 ILE 20 HG21 ILE 20 13.359 4.969 20.747 165 HG22 ILE 20 HG22 ILE 20 13.271 3.237 20.424 166 HG23 ILE 20 HG23 ILE 20 12.064 4.003 21.455 167 HD11 ILE 20 HD11 ILE 20 14.237 5.763 19.004 168 HD12 ILE 20 HD12 ILE 20 12.941 6.701 18.262 169 HD13 ILE 20 HD13 ILE 20 14.134 5.890 17.248 170 HA PRO 21 HA PRO 21 7.842 1.705 21.665 171 HB2 PRO 21 HB2 PRO 21 9.095 -0.222 23.207 172 HB3 PRO 21 HB3 PRO 21 8.215 -0.529 21.708 173 HG2 PRO 21 HG2 PRO 21 11.148 -0.272 22.166 174 HG3 PRO 21 HG3 PRO 21 10.270 -1.344 21.067 175 HD2 PRO 21 HD2 PRO 21 11.544 0.866 20.205 176 HD3 PRO 21 HD3 PRO 21 10.046 0.284 19.451 177 H ASP 22 H ASP 22 11.123 2.262 22.883 178 HA ASP 22 HA ASP 22 10.408 2.673 25.582 179 HB2 ASP 22 HB2 ASP 22 12.777 3.514 23.941 180 HB3 ASP 22 HB3 ASP 22 12.594 4.064 25.603 181 H ALA 23 H ALA 23 10.263 4.740 22.798 182 HA ALA 23 HA ALA 23 9.626 7.020 24.551 183 HB1 ALA 23 HB1 ALA 23 10.336 8.487 22.766 184 HB2 ALA 23 HB2 ALA 23 10.635 7.101 21.714 185 HB3 ALA 23 HB3 ALA 23 11.621 7.342 23.156 186 H ASP 24 H ASP 24 8.150 4.721 22.857 187 HA ASP 24 HA ASP 24 6.110 4.430 21.904 188 HB2 ASP 24 HB2 ASP 24 5.432 5.667 23.980 189 HB3 ASP 24 HB3 ASP 24 5.468 7.157 23.047 190 H ILE 25 H ILE 25 8.268 5.740 20.453 191 HA ILE 25 HA ILE 25 7.066 7.774 18.795 192 HB ILE 25 HB ILE 25 9.758 6.411 18.704 193 HG12 ILE 25 HG12 ILE 25 8.907 9.226 19.409 194 HG13 ILE 25 HG13 ILE 25 9.431 7.988 20.546 195 HG21 ILE 25 HG21 ILE 25 10.359 8.162 17.013 196 HG22 ILE 25 HG22 ILE 25 8.636 8.513 16.862 197 HG23 ILE 25 HG23 ILE 25 9.252 6.917 16.433 198 HD11 ILE 25 HD11 ILE 25 11.184 9.617 20.105 199 HD12 ILE 25 HD12 ILE 25 11.129 9.218 18.388 200 HD13 ILE 25 HD13 ILE 25 11.650 8.007 19.558 201 H LYS 26 H LYS 26 5.771 7.308 17.193 202 HA LYS 26 HA LYS 26 6.429 5.114 15.380 203 HB2 LYS 26 HB2 LYS 26 3.719 5.569 16.643 204 HB3 LYS 26 HB3 LYS 26 3.955 4.596 15.200 205 HG2 LYS 26 HG2 LYS 26 5.230 2.991 16.385 206 HG3 LYS 26 HG3 LYS 26 5.332 4.033 17.805 207 HD2 LYS 26 HD2 LYS 26 2.949 3.831 18.172 208 HD3 LYS 26 HD3 LYS 26 2.773 2.890 16.688 209 HE2 LYS 26 HE2 LYS 26 4.552 2.014 18.941 210 HE3 LYS 26 HE3 LYS 26 2.838 1.607 18.888 211 HZ1 LYS 26 HZ1 LYS 26 4.736 0.967 16.694 212 HZ2 LYS 26 HZ2 LYS 26 3.147 0.408 16.887 213 HZ3 LYS 26 HZ3 LYS 26 4.359 -0.110 17.953 214 H GLU 27 H GLU 27 7.167 6.781 13.987 215 HA GLU 27 HA GLU 27 5.002 8.397 12.841 216 HB2 GLU 27 HB2 GLU 27 6.508 10.326 12.684 217 HB3 GLU 27 HB3 GLU 27 6.240 9.841 14.351 218 HG2 GLU 27 HG2 GLU 27 8.412 8.660 14.301 219 HG3 GLU 27 HG3 GLU 27 8.680 9.298 12.680 220 HA PRO 28 HA PRO 28 6.649 7.127 8.930 221 HB2 PRO 28 HB2 PRO 28 5.670 9.112 7.379 222 HB3 PRO 28 HB3 PRO 28 4.641 7.848 8.060 223 HG2 PRO 28 HG2 PRO 28 5.091 10.646 9.023 224 HG3 PRO 28 HG3 PRO 28 3.572 9.740 8.883 225 HD2 PRO 28 HD2 PRO 28 4.896 10.029 11.230 226 HD3 PRO 28 HD3 PRO 28 3.928 8.594 10.844 227 H VAL 29 H VAL 29 8.499 7.442 7.780 228 HA VAL 29 HA VAL 29 10.134 9.768 8.441 229 HB VAL 29 HB VAL 29 10.800 7.327 6.775 230 HG11 VAL 29 HG11 VAL 29 12.120 9.230 6.050 231 HG12 VAL 29 HG12 VAL 29 13.137 8.091 6.938 232 HG13 VAL 29 HG13 VAL 29 12.581 9.573 7.720 233 HG21 VAL 29 HG21 VAL 29 12.190 6.663 8.683 234 HG22 VAL 29 HG22 VAL 29 10.487 6.781 9.123 235 HG23 VAL 29 HG23 VAL 29 11.607 8.063 9.584 236 H TYR 30 H TYR 30 10.609 11.362 7.003 237 HA TYR 30 HA TYR 30 8.921 11.346 4.616 238 HB2 TYR 30 HB2 TYR 30 10.271 13.661 6.012 239 HB3 TYR 30 HB3 TYR 30 9.181 13.787 4.633 240 HD1 TYR 30 HD1 TYR 30 7.258 11.596 5.561 241 HD2 TYR 30 HD2 TYR 30 8.958 14.945 7.560 242 HE1 TYR 30 HE1 TYR 30 5.340 11.631 7.088 243 HE2 TYR 30 HE2 TYR 30 7.037 15.002 9.100 244 HH TYR 30 HH TYR 30 4.890 12.497 9.467 245 HA PRO 31 HA PRO 31 12.779 10.776 2.405 246 HB2 PRO 31 HB2 PRO 31 11.623 9.769 0.182 247 HB3 PRO 31 HB3 PRO 31 11.893 8.795 1.628 248 HG2 PRO 31 HG2 PRO 31 9.390 10.072 0.642 249 HG3 PRO 31 HG3 PRO 31 9.616 8.501 1.429 250 HD2 PRO 31 HD2 PRO 31 8.716 10.773 2.699 251 HD3 PRO 31 HD3 PRO 31 9.488 9.400 3.519 252 H GLY 32 H GLY 32 13.524 12.757 1.830 253 HA2 GLY 32 HA2 GLY 32 12.886 13.885 -0.643 254 HA3 GLY 32 HA3 GLY 32 11.978 14.750 0.589 255 HA PRO 33 HA PRO 33 16.115 16.721 0.339 256 HB2 PRO 33 HB2 PRO 33 14.812 19.258 0.032 257 HB3 PRO 33 HB3 PRO 33 15.758 18.373 -1.163 258 HG2 PRO 33 HG2 PRO 33 13.043 18.835 -1.341 259 HG3 PRO 33 HG3 PRO 33 13.901 17.529 -2.177 260 HD2 PRO 33 HD2 PRO 33 12.295 17.434 0.345 261 HD3 PRO 33 HD3 PRO 33 12.394 16.247 -0.975 262 H ALA 34 H ALA 34 17.160 17.879 1.922 263 HA ALA 34 HA ALA 34 15.869 18.115 4.462 264 HB1 ALA 34 HB1 ALA 34 18.249 17.513 4.193 265 HB2 ALA 34 HB2 ALA 34 17.998 18.881 5.276 266 HB3 ALA 34 HB3 ALA 34 18.572 19.152 3.631 267 H THR 35 H THR 35 14.678 19.743 5.119 268 HA THR 35 HA THR 35 15.390 22.471 4.589 269 HB THR 35 HB THR 35 14.269 22.163 2.533 270 HG1 THR 35 HG1 THR 35 12.450 23.511 2.763 271 HG21 THR 35 HG21 THR 35 12.017 20.823 4.026 272 HG22 THR 35 HG22 THR 35 13.234 20.004 3.043 273 HG23 THR 35 HG23 THR 35 12.090 21.116 2.286 274 HA PRO 36 HA PRO 36 14.035 22.928 8.708 275 HB2 PRO 36 HB2 PRO 36 12.840 25.470 7.681 276 HB3 PRO 36 HB3 PRO 36 13.853 25.197 9.105 277 HG2 PRO 36 HG2 PRO 36 14.895 26.228 6.886 278 HG3 PRO 36 HG3 PRO 36 15.803 25.051 7.853 279 HD2 PRO 36 HD2 PRO 36 14.438 24.703 5.236 280 HD3 PRO 36 HD3 PRO 36 15.878 23.889 5.881 281 H GLU 37 H GLU 37 11.575 24.020 6.351 282 HA GLU 37 HA GLU 37 9.343 23.798 7.993 283 HB2 GLU 37 HB2 GLU 37 9.418 24.854 5.731 284 HB3 GLU 37 HB3 GLU 37 9.440 23.245 5.022 285 HG2 GLU 37 HG2 GLU 37 7.216 24.185 4.941 286 HG3 GLU 37 HG3 GLU 37 7.253 22.783 6.009 287 H GLN 38 H GLN 38 10.798 21.350 5.882 288 HA GLN 38 HA GLN 38 8.787 19.387 6.485 289 HB2 GLN 38 HB2 GLN 38 10.133 19.620 4.319 290 HB3 GLN 38 HB3 GLN 38 11.461 18.874 5.193 291 HG2 GLN 38 HG2 GLN 38 10.266 16.848 5.465 292 HG3 GLN 38 HG3 GLN 38 8.761 17.583 4.912 293 HE21 GLN 38 HE21 GLN 38 10.069 15.237 3.855 294 HE22 GLN 38 HE22 GLN 38 10.452 15.572 2.210 295 H LEU 39 H LEU 39 12.044 20.131 7.534 296 HA LEU 39 HA LEU 39 12.458 17.777 9.087 297 HB2 LEU 39 HB2 LEU 39 13.763 20.496 9.218 298 HB3 LEU 39 HB3 LEU 39 14.311 19.091 10.113 299 HG LEU 39 HG LEU 39 14.239 19.306 7.101 300 HD11 LEU 39 HD11 LEU 39 16.561 19.438 9.025 301 HD12 LEU 39 HD12 LEU 39 15.909 20.788 8.096 302 HD13 LEU 39 HD13 LEU 39 16.673 19.432 7.265 303 HD21 LEU 39 HD21 LEU 39 15.429 17.200 8.903 304 HD22 LEU 39 HD22 LEU 39 15.492 17.229 7.140 305 HD23 LEU 39 HD23 LEU 39 13.946 17.023 7.966 306 H ASN 40 H ASN 40 10.556 20.539 9.578 307 HA ASN 40 HA ASN 40 10.698 20.431 12.478 308 HB2 ASN 40 HB2 ASN 40 10.427 22.580 11.143 309 HB3 ASN 40 HB3 ASN 40 8.779 22.058 10.806 310 HD21 ASN 40 HD21 ASN 40 7.839 23.746 11.880 311 HD22 ASN 40 HD22 ASN 40 7.874 23.897 13.606 312 H ARG 41 H ARG 41 8.967 18.964 9.968 313 HA ARG 41 HA ARG 41 6.608 18.381 11.560 314 HB2 ARG 41 HB2 ARG 41 7.441 17.482 8.796 315 HB3 ARG 41 HB3 ARG 41 5.921 17.044 9.567 316 HG2 ARG 41 HG2 ARG 41 5.250 19.364 9.638 317 HG3 ARG 41 HG3 ARG 41 6.802 19.854 8.955 318 HD2 ARG 41 HD2 ARG 41 6.301 18.635 6.910 319 HD3 ARG 41 HD3 ARG 41 4.773 18.084 7.595 320 HE ARG 41 HE ARG 41 4.102 20.473 7.641 321 HH11 ARG 41 HH11 ARG 41 6.610 19.407 5.440 322 HH12 ARG 41 HH12 ARG 41 6.373 20.718 4.322 323 HH21 ARG 41 HH21 ARG 41 3.794 22.202 6.193 324 HH22 ARG 41 HH22 ARG 41 4.771 22.318 4.762 325 H GLY 42 H GLY 42 9.455 16.750 10.305 326 HA2 GLY 42 HA2 GLY 42 9.637 14.919 12.416 327 HA3 GLY 42 HA3 GLY 42 8.824 14.130 11.069 328 H VAL 43 H VAL 43 10.888 12.805 11.394 329 HA VAL 43 HA VAL 43 13.355 13.905 10.546 330 HB VAL 43 HB VAL 43 13.967 11.426 10.147 331 HG11 VAL 43 HG11 VAL 43 14.695 12.718 12.069 332 HG12 VAL 43 HG12 VAL 43 14.267 11.074 12.549 333 HG13 VAL 43 HG13 VAL 43 13.160 12.407 12.880 334 HG21 VAL 43 HG21 VAL 43 11.386 11.079 11.663 335 HG22 VAL 43 HG22 VAL 43 12.552 9.817 11.271 336 HG23 VAL 43 HG23 VAL 43 11.659 10.620 9.982 337 H SER 44 H SER 44 14.061 14.383 8.660 338 HA SER 44 HA SER 44 13.062 12.962 6.286 339 HB2 SER 44 HB2 SER 44 13.721 15.922 6.359 340 HB3 SER 44 HB3 SER 44 13.049 15.018 5.006 341 HG SER 44 HG SER 44 11.699 15.100 7.476 342 H PHE 45 H PHE 45 14.646 12.595 4.685 343 HA PHE 45 HA PHE 45 17.243 12.143 5.624 344 HB2 PHE 45 HB2 PHE 45 16.279 12.351 2.766 345 HB3 PHE 45 HB3 PHE 45 17.822 11.663 3.271 346 HD1 PHE 45 HD1 PHE 45 17.586 9.816 5.163 347 HD2 PHE 45 HD2 PHE 45 14.551 10.906 2.396 348 HE1 PHE 45 HE1 PHE 45 16.494 7.644 5.516 349 HE2 PHE 45 HE2 PHE 45 13.451 8.733 2.732 350 HZ PHE 45 HZ PHE 45 14.425 7.104 4.313 351 H ALA 46 H ALA 46 19.114 13.219 5.551 352 HA ALA 46 HA ALA 46 18.951 16.068 4.936 353 HB1 ALA 46 HB1 ALA 46 20.989 16.289 6.230 354 HB2 ALA 46 HB2 ALA 46 21.140 14.536 6.338 355 HB3 ALA 46 HB3 ALA 46 19.801 15.356 7.142 356 H GLU 47 H GLU 47 19.630 13.432 3.227 357 HA GLU 47 HA GLU 47 21.741 14.758 1.657 358 HB2 GLU 47 HB2 GLU 47 21.248 11.792 1.991 359 HB3 GLU 47 HB3 GLU 47 22.440 12.505 0.917 360 HG2 GLU 47 HG2 GLU 47 23.642 13.424 2.808 361 HG3 GLU 47 HG3 GLU 47 22.421 12.792 3.912 362 H GLU 48 H GLU 48 21.498 14.746 -0.595 363 HA GLU 48 HA GLU 48 18.814 14.149 -1.528 364 HB2 GLU 48 HB2 GLU 48 19.587 15.157 -3.685 365 HB3 GLU 48 HB3 GLU 48 19.647 16.243 -2.308 366 HG2 GLU 48 HG2 GLU 48 22.057 14.731 -3.240 367 HG3 GLU 48 HG3 GLU 48 21.590 16.275 -3.948 368 H ASN 49 H ASN 49 18.931 11.892 -1.258 369 HA ASN 49 HA ASN 49 20.612 10.527 -3.260 370 HB2 ASN 49 HB2 ASN 49 20.899 10.070 -0.698 371 HB3 ASN 49 HB3 ASN 49 19.445 9.093 -0.901 372 HD21 ASN 49 HD21 ASN 49 22.790 9.447 -1.667 373 HD22 ASN 49 HD22 ASN 49 23.014 7.877 -2.347 374 H GLU 50 H GLU 50 19.679 8.819 -4.440 375 HA GLU 50 HA GLU 50 16.815 9.189 -4.843 376 HB2 GLU 50 HB2 GLU 50 18.359 7.355 -6.600 377 HB3 GLU 50 HB3 GLU 50 17.098 8.502 -7.015 378 HG2 GLU 50 HG2 GLU 50 19.044 9.304 -8.032 379 HG3 GLU 50 HG3 GLU 50 18.805 10.322 -6.613 380 H SER 51 H SER 51 18.433 7.394 -2.832 381 HA SER 51 HA SER 51 16.579 5.171 -2.979 382 HB2 SER 51 HB2 SER 51 19.573 4.732 -3.085 383 HB3 SER 51 HB3 SER 51 18.363 3.465 -2.900 384 HG SER 51 HG SER 51 17.689 4.947 -5.008 385 H LEU 52 H LEU 52 16.363 4.015 -1.094 386 HA LEU 52 HA LEU 52 17.814 5.022 1.271 387 HB2 LEU 52 HB2 LEU 52 15.672 4.184 2.481 388 HB3 LEU 52 HB3 LEU 52 15.639 5.737 1.669 389 HG LEU 52 HG LEU 52 14.587 4.566 -0.309 390 HD11 LEU 52 HD11 LEU 52 15.199 2.271 0.231 391 HD12 LEU 52 HD12 LEU 52 13.445 2.441 0.122 392 HD13 LEU 52 HD13 LEU 52 14.228 2.342 1.701 393 HD21 LEU 52 HD21 LEU 52 13.306 5.935 1.229 394 HD22 LEU 52 HD22 LEU 52 13.083 4.550 2.298 395 HD23 LEU 52 HD23 LEU 52 12.363 4.546 0.686 396 H ASP 53 H ASP 53 18.207 2.822 -0.717 397 HA ASP 53 HA ASP 53 17.580 0.387 0.731 398 HB2 ASP 53 HB2 ASP 53 17.137 0.425 -1.646 399 HB3 ASP 53 HB3 ASP 53 18.795 0.901 -1.988 400 H ASP 54 H ASP 54 20.141 2.565 0.554 401 HA ASP 54 HA ASP 54 22.266 0.637 0.768 402 HB2 ASP 54 HB2 ASP 54 23.752 2.480 0.931 403 HB3 ASP 54 HB3 ASP 54 22.519 2.943 -0.233 404 H GLN 55 H GLN 55 23.831 1.797 2.825 405 HA GLN 55 HA GLN 55 22.334 0.690 5.112 406 HB2 GLN 55 HB2 GLN 55 24.536 -0.236 5.850 407 HB3 GLN 55 HB3 GLN 55 23.902 -0.930 4.363 408 HG2 GLN 55 HG2 GLN 55 25.395 0.557 3.075 409 HG3 GLN 55 HG3 GLN 55 26.079 1.136 4.595 410 HE21 GLN 55 HE21 GLN 55 27.357 -0.247 5.819 411 HE22 GLN 55 HE22 GLN 55 28.064 -1.685 5.155 412 H ASN 56 H ASN 56 23.936 3.458 4.008 413 HA ASN 56 HA ASN 56 24.308 4.412 6.759 414 HB2 ASN 56 HB2 ASN 56 26.521 3.596 5.858 415 HB3 ASN 56 HB3 ASN 56 26.399 4.821 4.606 416 HD21 ASN 56 HD21 ASN 56 25.288 6.874 6.377 417 HD22 ASN 56 HD22 ASN 56 26.584 7.372 7.402 418 H ILE 57 H ILE 57 22.501 5.715 6.516 419 HA ILE 57 HA ILE 57 22.701 7.800 4.472 420 HB ILE 57 HB ILE 57 20.890 5.984 4.249 421 HG12 ILE 57 HG12 ILE 57 19.729 8.703 4.271 422 HG13 ILE 57 HG13 ILE 57 21.151 8.424 3.277 423 HG21 ILE 57 HG21 ILE 57 20.192 6.165 6.658 424 HG22 ILE 57 HG22 ILE 57 18.875 6.280 5.492 425 HG23 ILE 57 HG23 ILE 57 19.495 7.735 6.269 426 HD11 ILE 57 HD11 ILE 57 19.138 8.141 1.975 427 HD12 ILE 57 HD12 ILE 57 18.554 6.925 3.114 428 HD13 ILE 57 HD13 ILE 57 19.994 6.606 2.143 429 H SER 58 H SER 58 22.091 9.889 5.075 430 HA SER 58 HA SER 58 22.080 10.375 7.967 431 HB2 SER 58 HB2 SER 58 22.337 12.445 5.781 432 HB3 SER 58 HB3 SER 58 22.838 12.574 7.468 433 HG SER 58 HG SER 58 23.963 10.858 5.495 434 H ILE 59 H ILE 59 20.212 10.820 8.964 435 HA ILE 59 HA ILE 59 18.066 12.112 7.395 436 HB ILE 59 HB ILE 59 17.377 10.434 9.771 437 HG12 ILE 59 HG12 ILE 59 17.845 9.273 7.016 438 HG13 ILE 59 HG13 ILE 59 18.881 8.997 8.411 439 HG21 ILE 59 HG21 ILE 59 15.654 11.760 8.669 440 HG22 ILE 59 HG22 ILE 59 15.328 10.036 8.478 441 HG23 ILE 59 HG23 ILE 59 16.002 10.958 7.136 442 HD11 ILE 59 HD11 ILE 59 16.014 8.145 8.100 443 HD12 ILE 59 HD12 ILE 59 16.967 7.947 9.569 444 HD13 ILE 59 HD13 ILE 59 17.438 7.105 8.090 445 H ALA 60 H ALA 60 17.254 13.967 8.303 446 HA ALA 60 HA ALA 60 18.468 14.771 10.857 447 HB1 ALA 60 HB1 ALA 60 17.987 17.071 10.178 448 HB2 ALA 60 HB2 ALA 60 17.236 16.477 8.696 449 HB3 ALA 60 HB3 ALA 60 18.961 16.230 8.972 450 H GLY 61 H GLY 61 17.224 15.679 12.505 451 HA2 GLY 61 HA2 GLY 61 14.311 15.554 12.247 452 HA3 GLY 61 HA3 GLY 61 15.058 14.452 13.395 453 H HIS 62 H HIS 62 13.252 16.201 14.373 454 HA HIS 62 HA HIS 62 14.977 18.013 15.934 455 HB2 HIS 62 HB2 HIS 62 12.166 18.551 14.949 456 HB3 HIS 62 HB3 HIS 62 12.960 19.507 16.191 457 HD1 HIS 62 HD1 HIS 62 15.603 18.852 13.959 458 HD2 HIS 62 HD2 HIS 62 12.245 21.307 13.785 459 HE1 HIS 62 HE1 HIS 62 16.129 20.604 12.234 460 H THR 63 H THR 63 14.674 17.927 18.147 461 HA THR 63 HA THR 63 12.960 15.750 19.043 462 HB THR 63 HB THR 63 14.207 16.328 21.287 463 HG1 THR 63 HG1 THR 63 15.828 17.672 21.074 464 HG21 THR 63 HG21 THR 63 15.539 14.973 18.939 465 HG22 THR 63 HG22 THR 63 14.421 14.221 20.079 466 HG23 THR 63 HG23 THR 63 16.002 14.777 20.629 467 H PHE 64 H PHE 64 13.826 18.649 20.929 468 HA PHE 64 HA PHE 64 11.096 19.515 21.071 469 HB2 PHE 64 HB2 PHE 64 10.827 19.009 23.502 470 HB3 PHE 64 HB3 PHE 64 10.844 17.584 22.470 471 HD1 PHE 64 HD1 PHE 64 12.663 19.472 25.026 472 HD2 PHE 64 HD2 PHE 64 12.660 15.995 22.570 473 HE1 PHE 64 HE1 PHE 64 14.451 18.497 26.405 474 HE2 PHE 64 HE2 PHE 64 14.443 15.012 23.949 475 HZ PHE 64 HZ PHE 64 15.342 16.266 25.870 476 H ILE 65 H ILE 65 10.770 21.374 22.242 477 HA ILE 65 HA ILE 65 13.077 22.570 23.599 478 HB ILE 65 HB ILE 65 11.030 24.026 21.935 479 HG12 ILE 65 HG12 ILE 65 12.845 22.916 20.659 480 HG13 ILE 65 HG13 ILE 65 12.887 24.671 20.519 481 HG21 ILE 65 HG21 ILE 65 13.253 25.132 23.638 482 HG22 ILE 65 HG22 ILE 65 11.522 25.320 23.917 483 HG23 ILE 65 HG23 ILE 65 12.276 26.075 22.513 484 HD11 ILE 65 HD11 ILE 65 14.636 23.004 22.314 485 HD12 ILE 65 HD12 ILE 65 14.689 24.761 22.161 486 HD13 ILE 65 HD13 ILE 65 15.116 23.741 20.787 487 H ASP 66 H ASP 66 9.686 23.483 23.190 488 HA ASP 66 HA ASP 66 9.194 22.851 26.027 489 HB2 ASP 66 HB2 ASP 66 8.462 25.320 24.480 490 HB3 ASP 66 HB3 ASP 66 7.458 24.794 25.826 491 H ARG 67 H ARG 67 8.699 21.618 23.285 492 HA ARG 67 HA ARG 67 5.767 21.479 23.277 493 HB2 ARG 67 HB2 ARG 67 7.807 20.788 21.146 494 HB3 ARG 67 HB3 ARG 67 6.071 20.568 20.967 495 HG2 ARG 67 HG2 ARG 67 5.678 22.905 21.030 496 HG3 ARG 67 HG3 ARG 67 7.330 23.240 21.547 497 HD2 ARG 67 HD2 ARG 67 6.735 21.895 18.930 498 HD3 ARG 67 HD3 ARG 67 6.731 23.650 19.090 499 HE ARG 67 HE ARG 67 9.095 23.363 19.918 500 HH11 ARG 67 HH11 ARG 67 7.614 21.139 17.651 501 HH12 ARG 67 HH12 ARG 67 9.130 20.658 16.953 502 HH21 ARG 67 HH21 ARG 67 11.078 22.754 18.991 503 HH22 ARG 67 HH22 ARG 67 11.108 21.581 17.716 504 HA PRO 68 HA PRO 68 6.711 17.303 24.824 505 HB2 PRO 68 HB2 PRO 68 4.676 17.129 26.537 506 HB3 PRO 68 HB3 PRO 68 6.076 18.151 26.890 507 HG2 PRO 68 HG2 PRO 68 3.344 18.917 25.980 508 HG3 PRO 68 HG3 PRO 68 4.447 19.767 27.074 509 HD2 PRO 68 HD2 PRO 68 4.055 20.304 24.335 510 HD3 PRO 68 HD3 PRO 68 5.356 20.940 25.360 511 H ASN 69 H ASN 69 4.358 18.495 22.824 512 HA ASN 69 HA ASN 69 2.991 15.913 22.592 513 HB2 ASN 69 HB2 ASN 69 2.242 18.669 21.607 514 HB3 ASN 69 HB3 ASN 69 1.382 17.210 21.132 515 HD21 ASN 69 HD21 ASN 69 1.817 15.999 23.804 516 HD22 ASN 69 HD22 ASN 69 0.689 16.789 24.850 517 H TYR 70 H TYR 70 5.707 16.713 21.641 518 HA TYR 70 HA TYR 70 5.369 16.197 18.772 519 HB2 TYR 70 HB2 TYR 70 6.813 18.150 19.686 520 HB3 TYR 70 HB3 TYR 70 7.969 16.899 20.122 521 HD1 TYR 70 HD1 TYR 70 6.220 18.507 17.302 522 HD2 TYR 70 HD2 TYR 70 9.373 15.903 18.470 523 HE1 TYR 70 HE1 TYR 70 7.125 18.584 15.015 524 HE2 TYR 70 HE2 TYR 70 10.288 15.975 16.191 525 HH TYR 70 HH TYR 70 9.045 18.170 13.780 526 H GLN 71 H GLN 71 6.783 14.539 17.830 527 HA GLN 71 HA GLN 71 6.455 12.116 19.203 528 HB2 GLN 71 HB2 GLN 71 8.391 12.516 16.933 529 HB3 GLN 71 HB3 GLN 71 7.527 11.053 17.368 530 HG2 GLN 71 HG2 GLN 71 6.365 11.742 15.525 531 HG3 GLN 71 HG3 GLN 71 5.415 12.476 16.817 532 HE21 GLN 71 HE21 GLN 71 7.732 13.057 14.264 533 HE22 GLN 71 HE22 GLN 71 7.472 14.772 14.170 534 H PHE 72 H PHE 72 9.459 13.869 18.416 535 HA PHE 72 HA PHE 72 11.040 11.939 19.831 536 HB2 PHE 72 HB2 PHE 72 11.778 14.516 18.450 537 HB3 PHE 72 HB3 PHE 72 12.946 13.443 19.211 538 HD1 PHE 72 HD1 PHE 72 12.739 10.906 18.416 539 HD2 PHE 72 HD2 PHE 72 11.436 14.294 16.198 540 HE1 PHE 72 HE1 PHE 72 12.904 9.601 16.340 541 HE2 PHE 72 HE2 PHE 72 11.597 12.995 14.116 542 HZ PHE 72 HZ PHE 72 12.332 10.645 14.185 543 H THR 73 H THR 73 9.144 14.192 21.131 544 HA THR 73 HA THR 73 10.946 15.464 22.945 545 HB THR 73 HB THR 73 8.000 15.020 23.469 546 HG1 THR 73 HG1 THR 73 8.289 17.373 22.414 547 HG21 THR 73 HG21 THR 73 10.091 16.960 24.396 548 HG22 THR 73 HG22 THR 73 8.982 15.981 25.358 549 HG23 THR 73 HG23 THR 73 8.382 17.371 24.453 550 H ASN 74 H ASN 74 9.336 12.405 22.817 551 HA ASN 74 HA ASN 74 9.951 11.852 25.620 552 HB2 ASN 74 HB2 ASN 74 7.735 11.204 24.502 553 HB3 ASN 74 HB3 ASN 74 8.647 9.949 23.677 554 HD21 ASN 74 HD21 ASN 74 7.460 8.326 24.686 555 HD22 ASN 74 HD22 ASN 74 7.704 7.917 26.355 556 H LEU 75 H LEU 75 11.685 11.894 22.925 557 HA LEU 75 HA LEU 75 12.852 9.323 22.758 558 HB2 LEU 75 HB2 LEU 75 12.979 11.090 21.006 559 HB3 LEU 75 HB3 LEU 75 14.104 11.965 22.026 560 HG LEU 75 HG LEU 75 15.712 10.126 21.857 561 HD11 LEU 75 HD11 LEU 75 14.149 8.270 21.620 562 HD12 LEU 75 HD12 LEU 75 15.315 8.282 20.297 563 HD13 LEU 75 HD13 LEU 75 13.672 8.864 20.028 564 HD21 LEU 75 HD21 LEU 75 15.753 11.942 20.213 565 HD22 LEU 75 HD22 LEU 75 14.677 11.011 19.173 566 HD23 LEU 75 HD23 LEU 75 16.298 10.414 19.522 567 H LYS 76 H LYS 76 13.155 11.829 25.025 568 HA LYS 76 HA LYS 76 15.747 11.297 26.029 569 HB2 LYS 76 HB2 LYS 76 14.936 12.509 28.048 570 HB3 LYS 76 HB3 LYS 76 14.642 13.379 26.550 571 HG2 LYS 76 HG2 LYS 76 12.632 13.673 27.579 572 HG3 LYS 76 HG3 LYS 76 12.300 12.182 26.705 573 HD2 LYS 76 HD2 LYS 76 12.934 10.927 28.773 574 HD3 LYS 76 HD3 LYS 76 13.037 12.474 29.614 575 HE2 LYS 76 HE2 LYS 76 10.679 12.909 29.038 576 HE3 LYS 76 HE3 LYS 76 10.591 11.320 28.278 577 HZ1 LYS 76 HZ1 LYS 76 11.153 10.334 30.444 578 HZ2 LYS 76 HZ2 LYS 76 9.701 11.209 30.491 579 HZ3 LYS 76 HZ3 LYS 76 11.116 11.877 31.146 580 H ALA 77 H ALA 77 12.723 9.696 26.327 581 HA ALA 77 HA ALA 77 13.331 8.261 28.740 582 HB1 ALA 77 HB1 ALA 77 11.214 7.696 26.670 583 HB2 ALA 77 HB2 ALA 77 11.022 8.775 28.052 584 HB3 ALA 77 HB3 ALA 77 11.285 7.049 28.309 585 H ALA 78 H ALA 78 14.209 7.962 25.489 586 HA ALA 78 HA ALA 78 14.592 5.096 25.540 587 HB1 ALA 78 HB1 ALA 78 13.992 6.218 23.443 588 HB2 ALA 78 HB2 ALA 78 15.537 5.378 23.315 589 HB3 ALA 78 HB3 ALA 78 15.499 7.130 23.504 590 H LYS 79 H LYS 79 16.906 4.374 24.761 591 HA LYS 79 HA LYS 79 19.015 5.940 25.989 592 HB2 LYS 79 HB2 LYS 79 19.808 3.938 27.319 593 HB3 LYS 79 HB3 LYS 79 18.409 4.778 27.944 594 HG2 LYS 79 HG2 LYS 79 18.078 2.348 26.229 595 HG3 LYS 79 HG3 LYS 79 18.454 2.195 27.944 596 HD2 LYS 79 HD2 LYS 79 16.451 3.676 28.385 597 HD3 LYS 79 HD3 LYS 79 16.033 3.477 26.684 598 HE2 LYS 79 HE2 LYS 79 16.373 1.229 28.663 599 HE3 LYS 79 HE3 LYS 79 14.827 1.916 28.176 600 HZ1 LYS 79 HZ1 LYS 79 15.269 1.211 25.905 601 HZ2 LYS 79 HZ2 LYS 79 15.305 -0.106 26.967 602 HZ3 LYS 79 HZ3 LYS 79 16.757 0.542 26.377 603 H LYS 80 H LYS 80 21.084 4.381 25.990 604 HA LYS 80 HA LYS 80 21.676 4.027 23.247 605 HB2 LYS 80 HB2 LYS 80 23.868 3.406 23.917 606 HB3 LYS 80 HB3 LYS 80 23.328 4.617 25.069 607 HG2 LYS 80 HG2 LYS 80 23.212 1.657 25.586 608 HG3 LYS 80 HG3 LYS 80 24.563 2.686 26.056 609 HD2 LYS 80 HD2 LYS 80 23.017 4.044 27.419 610 HD3 LYS 80 HD3 LYS 80 21.700 2.954 26.978 611 HE2 LYS 80 HE2 LYS 80 22.589 2.400 29.176 612 HE3 LYS 80 HE3 LYS 80 22.893 1.095 28.028 613 HZ1 LYS 80 HZ1 LYS 80 25.148 1.732 27.840 614 HZ2 LYS 80 HZ2 LYS 80 24.803 1.696 29.497 615 HZ3 LYS 80 HZ3 LYS 80 24.897 3.180 28.685 616 H GLY 81 H GLY 81 20.087 2.071 25.395 617 HA2 GLY 81 HA2 GLY 81 20.521 -0.277 23.666 618 HA3 GLY 81 HA3 GLY 81 20.238 -0.421 25.394 619 H SER 82 H SER 82 18.725 1.410 22.772 620 HA SER 82 HA SER 82 16.148 0.305 23.565 621 HB2 SER 82 HB2 SER 82 16.849 2.905 22.191 622 HB3 SER 82 HB3 SER 82 15.201 2.296 22.344 623 HG SER 82 HG SER 82 15.256 2.588 24.482 624 H MET 83 H MET 83 14.977 -0.730 22.140 625 HA MET 83 HA MET 83 16.202 -1.609 19.689 626 HB2 MET 83 HB2 MET 83 14.910 -3.132 21.170 627 HB3 MET 83 HB3 MET 83 13.457 -2.215 20.805 628 HG2 MET 83 HG2 MET 83 13.227 -3.956 19.359 629 HG3 MET 83 HG3 MET 83 14.071 -2.803 18.332 630 HE1 MET 83 HE1 MET 83 17.628 -4.244 18.028 631 HE2 MET 83 HE2 MET 83 17.209 -3.079 19.285 632 HE3 MET 83 HE3 MET 83 16.515 -2.922 17.670 633 H VAL 84 H VAL 84 16.219 -0.180 18.071 634 HA VAL 84 HA VAL 84 13.861 1.478 17.591 635 HB VAL 84 HB VAL 84 16.625 1.578 16.363 636 HG11 VAL 84 HG11 VAL 84 15.924 3.711 15.392 637 HG12 VAL 84 HG12 VAL 84 14.292 3.450 16.010 638 HG13 VAL 84 HG13 VAL 84 14.954 2.368 14.785 639 HG21 VAL 84 HG21 VAL 84 16.845 3.672 17.642 640 HG22 VAL 84 HG22 VAL 84 16.624 2.266 18.682 641 HG23 VAL 84 HG23 VAL 84 15.276 3.361 18.384 642 H TYR 85 H TYR 85 12.448 0.973 16.068 643 HA TYR 85 HA TYR 85 13.129 -1.204 14.228 644 HB2 TYR 85 HB2 TYR 85 10.466 -0.066 15.080 645 HB3 TYR 85 HB3 TYR 85 10.653 -1.308 13.845 646 HD1 TYR 85 HD1 TYR 85 11.847 -3.458 14.527 647 HD2 TYR 85 HD2 TYR 85 10.289 -0.668 17.330 648 HE1 TYR 85 HE1 TYR 85 11.835 -5.213 16.256 649 HE2 TYR 85 HE2 TYR 85 10.274 -2.406 19.073 650 HH TYR 85 HH TYR 85 10.205 -4.889 19.200 651 H PHE 86 H PHE 86 13.567 -0.786 12.201 652 HA PHE 86 HA PHE 86 12.539 1.723 11.043 653 HB2 PHE 86 HB2 PHE 86 15.033 1.634 11.295 654 HB3 PHE 86 HB3 PHE 86 15.047 0.261 10.194 655 HD1 PHE 86 HD1 PHE 86 13.755 3.748 10.380 656 HD2 PHE 86 HD2 PHE 86 15.427 0.672 7.956 657 HE1 PHE 86 HE1 PHE 86 13.845 5.303 8.478 658 HE2 PHE 86 HE2 PHE 86 15.522 2.225 6.047 659 HZ PHE 86 HZ PHE 86 14.727 4.544 6.308 660 H LYS 87 H LYS 87 11.056 1.438 9.577 661 HA LYS 87 HA LYS 87 10.793 -1.234 8.348 662 HB2 LYS 87 HB2 LYS 87 9.053 -0.563 9.983 663 HB3 LYS 87 HB3 LYS 87 8.648 0.804 8.961 664 HG2 LYS 87 HG2 LYS 87 8.038 -0.793 7.165 665 HG3 LYS 87 HG3 LYS 87 8.330 -2.115 8.299 666 HD2 LYS 87 HD2 LYS 87 6.080 -0.210 8.143 667 HD3 LYS 87 HD3 LYS 87 6.113 -1.879 8.713 668 HE2 LYS 87 HE2 LYS 87 7.325 -1.022 10.759 669 HE3 LYS 87 HE3 LYS 87 6.944 0.607 10.193 670 HZ1 LYS 87 HZ1 LYS 87 4.947 -1.504 10.824 671 HZ2 LYS 87 HZ2 LYS 87 4.603 0.082 10.327 672 HZ3 LYS 87 HZ3 LYS 87 5.349 -0.196 11.827 673 H VAL 88 H VAL 88 10.666 -1.384 6.208 674 HA VAL 88 HA VAL 88 9.996 0.968 4.609 675 HB VAL 88 HB VAL 88 11.859 0.294 2.972 676 HG11 VAL 88 HG11 VAL 88 13.494 1.721 4.086 677 HG12 VAL 88 HG12 VAL 88 12.608 1.561 5.603 678 HG13 VAL 88 HG13 VAL 88 11.865 2.381 4.229 679 HG21 VAL 88 HG21 VAL 88 12.491 -1.815 3.998 680 HG22 VAL 88 HG22 VAL 88 12.946 -0.980 5.484 681 HG23 VAL 88 HG23 VAL 88 13.858 -0.700 4.000 682 H GLY 89 H GLY 89 8.131 0.177 3.836 683 HA2 GLY 89 HA2 GLY 89 6.795 -0.958 2.343 684 HA3 GLY 89 HA3 GLY 89 8.237 -1.768 1.746 685 H ASN 90 H ASN 90 8.991 -3.632 2.869 686 HA ASN 90 HA ASN 90 6.930 -4.976 4.492 687 HB2 ASN 90 HB2 ASN 90 7.251 -5.746 2.024 688 HB3 ASN 90 HB3 ASN 90 8.751 -6.454 2.600 689 HD21 ASN 90 HD21 ASN 90 7.646 -7.224 5.208 690 HD22 ASN 90 HD22 ASN 90 6.594 -8.562 4.892 691 H GLU 91 H GLU 91 10.097 -3.887 4.243 692 HA GLU 91 HA GLU 91 11.208 -5.987 5.937 693 HB2 GLU 91 HB2 GLU 91 12.542 -3.621 4.619 694 HB3 GLU 91 HB3 GLU 91 13.368 -4.850 5.562 695 HG2 GLU 91 HG2 GLU 91 12.689 -6.549 3.937 696 HG3 GLU 91 HG3 GLU 91 11.879 -5.305 2.985 697 H THR 92 H THR 92 11.717 -5.709 8.016 698 HA THR 92 HA THR 92 11.783 -3.015 9.149 699 HB THR 92 HB THR 92 10.242 -5.273 10.457 700 HG1 THR 92 HG1 THR 92 9.226 -4.340 8.537 701 HG21 THR 92 HG21 THR 92 9.458 -3.507 11.974 702 HG22 THR 92 HG22 THR 92 10.483 -2.339 11.139 703 HG23 THR 92 HG23 THR 92 11.213 -3.674 12.030 704 H ARG 93 H ARG 93 13.904 -3.002 9.707 705 HA ARG 93 HA ARG 93 15.014 -5.430 10.926 706 HB2 ARG 93 HB2 ARG 93 16.417 -3.020 9.759 707 HB3 ARG 93 HB3 ARG 93 17.236 -4.357 10.552 708 HG2 ARG 93 HG2 ARG 93 17.457 -5.034 8.403 709 HG3 ARG 93 HG3 ARG 93 15.888 -5.761 8.752 710 HD2 ARG 93 HD2 ARG 93 15.850 -4.622 6.604 711 HD3 ARG 93 HD3 ARG 93 14.774 -3.822 7.751 712 HE ARG 93 HE ARG 93 16.883 -2.326 8.092 713 HH11 ARG 93 HH11 ARG 93 15.740 -3.640 5.035 714 HH12 ARG 93 HH12 ARG 93 16.397 -2.335 4.106 715 HH21 ARG 93 HH21 ARG 93 17.740 -0.635 6.869 716 HH22 ARG 93 HH22 ARG 93 17.548 -0.617 5.138 717 H LYS 94 H LYS 94 16.577 -5.106 12.713 718 HA LYS 94 HA LYS 94 15.412 -3.206 14.627 719 HB2 LYS 94 HB2 LYS 94 17.247 -5.413 15.462 720 HB3 LYS 94 HB3 LYS 94 15.903 -4.690 16.329 721 HG2 LYS 94 HG2 LYS 94 14.328 -5.835 14.850 722 HG3 LYS 94 HG3 LYS 94 15.680 -6.578 13.995 723 HD2 LYS 94 HD2 LYS 94 14.995 -6.948 16.909 724 HD3 LYS 94 HD3 LYS 94 14.721 -8.121 15.622 725 HE2 LYS 94 HE2 LYS 94 17.401 -7.084 16.544 726 HE3 LYS 94 HE3 LYS 94 16.720 -8.664 16.920 727 HZ1 LYS 94 HZ1 LYS 94 16.646 -8.987 14.410 728 HZ2 LYS 94 HZ2 LYS 94 18.164 -9.050 15.164 729 HZ3 LYS 94 HZ3 LYS 94 17.696 -7.659 14.321 730 H TYR 95 H TYR 95 16.581 -1.504 15.220 731 HA TYR 95 HA TYR 95 19.515 -1.674 14.956 732 HB2 TYR 95 HB2 TYR 95 17.752 0.762 14.571 733 HB3 TYR 95 HB3 TYR 95 19.510 0.744 14.469 734 HD1 TYR 95 HD1 TYR 95 16.418 -0.500 12.872 735 HD2 TYR 95 HD2 TYR 95 20.609 0.076 12.482 736 HE1 TYR 95 HE1 TYR 95 16.275 -1.091 10.484 737 HE2 TYR 95 HE2 TYR 95 20.482 -0.504 10.098 738 HH TYR 95 HH TYR 95 18.989 -1.839 8.622 739 H LYS 96 H LYS 96 20.733 -0.793 16.635 740 HA LYS 96 HA LYS 96 19.173 -0.192 19.055 741 HB2 LYS 96 HB2 LYS 96 20.684 -2.195 19.144 742 HB3 LYS 96 HB3 LYS 96 22.054 -1.114 18.906 743 HG2 LYS 96 HG2 LYS 96 21.272 0.109 20.979 744 HG3 LYS 96 HG3 LYS 96 20.178 -1.246 21.252 745 HD2 LYS 96 HD2 LYS 96 23.183 -1.374 21.061 746 HD3 LYS 96 HD3 LYS 96 22.219 -1.525 22.527 747 HE2 LYS 96 HE2 LYS 96 21.186 -3.562 21.631 748 HE3 LYS 96 HE3 LYS 96 22.155 -3.404 20.167 749 HZ1 LYS 96 HZ1 LYS 96 23.207 -4.966 21.602 750 HZ2 LYS 96 HZ2 LYS 96 23.145 -3.901 22.920 751 HZ3 LYS 96 HZ3 LYS 96 24.156 -3.558 21.603 752 H MET 97 H MET 97 19.745 1.573 20.308 753 HA MET 97 HA MET 97 20.865 3.780 18.805 754 HB2 MET 97 HB2 MET 97 19.908 3.791 21.680 755 HB3 MET 97 HB3 MET 97 20.064 5.171 20.603 756 HG2 MET 97 HG2 MET 97 18.266 4.220 19.197 757 HG3 MET 97 HG3 MET 97 18.079 2.924 20.374 758 HE1 MET 97 HE1 MET 97 17.060 7.359 21.129 759 HE2 MET 97 HE2 MET 97 17.539 6.696 19.566 760 HE3 MET 97 HE3 MET 97 18.718 6.811 20.875 761 H THR 98 H THR 98 22.835 2.062 19.075 762 HA THR 98 HA THR 98 24.135 2.201 21.634 763 HB THR 98 HB THR 98 24.127 0.080 20.591 764 HG1 THR 98 HG1 THR 98 26.603 1.373 20.804 765 HG21 THR 98 HG21 THR 98 25.390 1.448 18.237 766 HG22 THR 98 HG22 THR 98 23.794 0.700 18.320 767 HG23 THR 98 HG23 THR 98 25.245 -0.301 18.411 768 H SER 99 H SER 99 24.078 4.426 19.293 769 HA SER 99 HA SER 99 26.600 5.484 20.282 770 HB2 SER 99 HB2 SER 99 25.923 5.315 17.340 771 HB3 SER 99 HB3 SER 99 27.260 6.253 18.005 772 HG SER 99 HG SER 99 27.184 3.645 18.866 773 H ILE 100 H ILE 100 25.509 6.956 21.505 774 HA ILE 100 HA ILE 100 24.038 9.053 20.039 775 HB ILE 100 HB ILE 100 23.461 8.109 22.860 776 HG12 ILE 100 HG12 ILE 100 21.779 7.786 20.367 777 HG13 ILE 100 HG13 ILE 100 22.719 6.500 21.118 778 HG21 ILE 100 HG21 ILE 100 22.080 10.172 21.150 779 HG22 ILE 100 HG22 ILE 100 23.050 10.481 22.590 780 HG23 ILE 100 HG23 ILE 100 21.521 9.616 22.726 781 HD11 ILE 100 HD11 ILE 100 20.452 7.984 22.431 782 HD12 ILE 100 HD12 ILE 100 21.355 6.627 23.110 783 HD13 ILE 100 HD13 ILE 100 20.340 6.388 21.687 784 H ARG 101 H ARG 101 24.726 11.129 20.450 785 HA ARG 101 HA ARG 101 25.945 11.857 22.924 786 HB2 ARG 101 HB2 ARG 101 27.839 10.751 21.765 787 HB3 ARG 101 HB3 ARG 101 27.695 11.921 20.464 788 HG2 ARG 101 HG2 ARG 101 28.215 13.716 22.014 789 HG3 ARG 101 HG3 ARG 101 28.328 12.550 23.333 790 HD2 ARG 101 HD2 ARG 101 30.081 12.667 20.882 791 HD3 ARG 101 HD3 ARG 101 30.544 13.120 22.520 792 HE ARG 101 HE ARG 101 29.650 10.373 22.092 793 HH11 ARG 101 HH11 ARG 101 32.293 12.615 22.597 794 HH12 ARG 101 HH12 ARG 101 33.443 11.361 22.978 795 HH21 ARG 101 HH21 ARG 101 31.161 8.733 22.580 796 HH22 ARG 101 HH22 ARG 101 32.794 9.166 22.967 797 H ASP 102 H ASP 102 26.086 14.057 23.192 798 HA ASP 102 HA ASP 102 24.627 15.651 21.231 799 HB2 ASP 102 HB2 ASP 102 24.051 15.825 23.658 800 HB3 ASP 102 HB3 ASP 102 25.659 16.478 23.958 801 H VAL 103 H VAL 103 26.013 16.019 19.579 802 HA VAL 103 HA VAL 103 28.745 16.859 20.197 803 HB VAL 103 HB VAL 103 27.630 16.161 17.480 804 HG11 VAL 103 HG11 VAL 103 29.691 17.435 17.444 805 HG12 VAL 103 HG12 VAL 103 29.979 15.777 16.911 806 HG13 VAL 103 HG13 VAL 103 30.448 16.277 18.536 807 HG21 VAL 103 HG21 VAL 103 29.026 14.344 19.441 808 HG22 VAL 103 HG22 VAL 103 28.572 13.933 17.786 809 HG23 VAL 103 HG23 VAL 103 27.323 14.269 18.986 810 H LYS 104 H LYS 104 28.255 18.982 20.815 811 HA LYS 104 HA LYS 104 26.833 20.856 19.312 812 HB2 LYS 104 HB2 LYS 104 29.202 21.296 21.145 813 HB3 LYS 104 HB3 LYS 104 28.100 22.551 20.589 814 HG2 LYS 104 HG2 LYS 104 26.268 21.557 21.774 815 HG3 LYS 104 HG3 LYS 104 27.247 20.153 22.200 816 HD2 LYS 104 HD2 LYS 104 28.706 21.565 23.546 817 HD3 LYS 104 HD3 LYS 104 27.770 22.990 23.087 818 HE2 LYS 104 HE2 LYS 104 27.179 22.154 25.325 819 HE3 LYS 104 HE3 LYS 104 25.817 22.113 24.210 820 HZ1 LYS 104 HZ1 LYS 104 26.097 20.097 25.635 821 HZ2 LYS 104 HZ2 LYS 104 27.514 19.741 24.777 822 HZ3 LYS 104 HZ3 LYS 104 26.021 19.777 23.969 823 HA PRO 105 HA PRO 105 29.455 21.027 15.797 824 HB2 PRO 105 HB2 PRO 105 28.157 22.924 14.409 825 HB3 PRO 105 HB3 PRO 105 27.461 21.322 14.683 826 HG2 PRO 105 HG2 PRO 105 26.912 23.897 16.100 827 HG3 PRO 105 HG3 PRO 105 25.772 22.656 15.554 828 HD2 PRO 105 HD2 PRO 105 26.653 22.876 18.135 829 HD3 PRO 105 HD3 PRO 105 26.121 21.349 17.404 830 H THR 106 H THR 106 30.582 22.459 17.996 831 HA THR 106 HA THR 106 31.405 25.042 17.021 832 HB THR 106 HB THR 106 31.389 24.363 19.477 833 HG1 THR 106 HG1 THR 106 33.994 25.231 18.940 834 HG21 THR 106 HG21 THR 106 33.920 22.933 18.659 835 HG22 THR 106 HG22 THR 106 32.449 22.184 19.279 836 HG23 THR 106 HG23 THR 106 33.411 23.231 20.321 837 H ASP 107 H ASP 107 32.164 21.822 16.419 838 HA ASP 107 HA ASP 107 34.085 22.602 14.399 839 HB2 ASP 107 HB2 ASP 107 35.448 21.990 16.426 840 HB3 ASP 107 HB3 ASP 107 34.735 20.380 16.355 841 H VAL 108 H VAL 108 34.068 21.106 12.647 842 HA VAL 108 HA VAL 108 31.798 19.232 12.808 843 HB VAL 108 HB VAL 108 31.455 19.622 10.391 844 HG11 VAL 108 HG11 VAL 108 30.481 21.873 10.605 845 HG12 VAL 108 HG12 VAL 108 31.364 22.097 12.114 846 HG13 VAL 108 HG13 VAL 108 30.119 20.855 11.998 847 HG21 VAL 108 HG21 VAL 108 33.538 21.776 10.749 848 HG22 VAL 108 HG22 VAL 108 32.537 21.547 9.315 849 HG23 VAL 108 HG23 VAL 108 33.705 20.311 9.780 850 H GLU 109 H GLU 109 34.999 19.125 12.848 851 HA GLU 109 HA GLU 109 35.198 16.854 10.965 852 HB2 GLU 109 HB2 GLU 109 37.413 18.748 11.781 853 HB3 GLU 109 HB3 GLU 109 37.520 17.458 10.590 854 HG2 GLU 109 HG2 GLU 109 35.617 19.753 10.301 855 HG3 GLU 109 HG3 GLU 109 37.282 19.831 9.728 856 H VAL 110 H VAL 110 34.494 17.040 13.838 857 HA VAL 110 HA VAL 110 36.685 15.952 15.329 858 HB VAL 110 HB VAL 110 34.981 15.530 17.097 859 HG11 VAL 110 HG11 VAL 110 36.165 17.653 16.996 860 HG12 VAL 110 HG12 VAL 110 34.508 17.885 17.551 861 HG13 VAL 110 HG13 VAL 110 34.946 18.294 15.892 862 HG21 VAL 110 HG21 VAL 110 32.705 16.369 16.782 863 HG22 VAL 110 HG22 VAL 110 33.067 15.074 15.642 864 HG23 VAL 110 HG23 VAL 110 33.074 16.753 15.101 865 H LEU 111 H LEU 111 35.448 14.545 12.860 866 HA LEU 111 HA LEU 111 34.998 11.921 14.112 867 HB2 LEU 111 HB2 LEU 111 34.248 12.918 11.358 868 HB3 LEU 111 HB3 LEU 111 34.063 11.258 11.883 869 HG LEU 111 HG LEU 111 31.925 12.179 12.061 870 HD11 LEU 111 HD11 LEU 111 31.424 12.201 14.443 871 HD12 LEU 111 HD12 LEU 111 33.140 12.363 14.808 872 HD13 LEU 111 HD13 LEU 111 32.540 10.902 14.026 873 HD21 LEU 111 HD21 LEU 111 31.404 14.300 13.157 874 HD22 LEU 111 HD22 LEU 111 32.502 14.526 11.798 875 HD23 LEU 111 HD23 LEU 111 33.120 14.574 13.448 876 H ASP 112 H ASP 112 35.909 10.052 12.940 877 HA ASP 112 HA ASP 112 38.658 10.349 12.381 878 HB2 ASP 112 HB2 ASP 112 36.699 8.099 12.007 879 HB3 ASP 112 HB3 ASP 112 38.341 7.961 11.392 880 H GLU 113 H GLU 113 39.792 10.220 10.440 881 HA GLU 113 HA GLU 113 38.634 11.347 8.131 882 HB2 GLU 113 HB2 GLU 113 41.045 11.460 8.595 883 HB3 GLU 113 HB3 GLU 113 41.170 9.715 8.427 884 HG2 GLU 113 HG2 GLU 113 40.494 9.912 6.072 885 HG3 GLU 113 HG3 GLU 113 40.439 11.665 6.254 886 H GLN 114 H GLN 114 39.375 8.065 9.092 887 HA GLN 114 HA GLN 114 38.333 6.798 6.748 888 HB2 GLN 114 HB2 GLN 114 38.535 4.737 8.148 889 HB3 GLN 114 HB3 GLN 114 40.017 5.686 8.088 890 HG2 GLN 114 HG2 GLN 114 39.325 6.720 10.265 891 HG3 GLN 114 HG3 GLN 114 38.024 5.538 10.334 892 HE21 GLN 114 HE21 GLN 114 40.299 5.999 12.092 893 HE22 GLN 114 HE22 GLN 114 41.138 4.491 12.178 894 H LYS 115 H LYS 115 36.264 6.182 6.325 895 HA LYS 115 HA LYS 115 34.284 6.558 8.463 896 HB2 LYS 115 HB2 LYS 115 34.002 6.606 5.461 897 HB3 LYS 115 HB3 LYS 115 32.615 6.468 6.529 898 HG2 LYS 115 HG2 LYS 115 32.729 8.733 6.027 899 HG3 LYS 115 HG3 LYS 115 33.468 8.609 7.624 900 HD2 LYS 115 HD2 LYS 115 35.693 8.624 6.569 901 HD3 LYS 115 HD3 LYS 115 34.924 8.814 4.991 902 HE2 LYS 115 HE2 LYS 115 33.929 10.926 5.740 903 HE3 LYS 115 HE3 LYS 115 34.710 10.736 7.309 904 HZ1 LYS 115 HZ1 LYS 115 36.001 12.218 5.978 905 HZ2 LYS 115 HZ2 LYS 115 36.052 11.116 4.683 906 HZ3 LYS 115 HZ3 LYS 115 36.863 10.764 6.129 907 H GLY 116 H GLY 116 34.343 4.609 9.518 908 HA2 GLY 116 HA2 GLY 116 34.247 2.089 8.181 909 HA3 GLY 116 HA3 GLY 116 33.893 2.380 9.881 910 H LYS 117 H LYS 117 32.525 0.870 7.541 911 HA LYS 117 HA LYS 117 29.951 2.285 7.626 912 HB2 LYS 117 HB2 LYS 117 31.012 0.265 5.673 913 HB3 LYS 117 HB3 LYS 117 29.356 0.829 5.673 914 HG2 LYS 117 HG2 LYS 117 31.743 2.626 5.334 915 HG3 LYS 117 HG3 LYS 117 30.810 1.942 4.003 916 HD2 LYS 117 HD2 LYS 117 28.773 3.009 5.080 917 HD3 LYS 117 HD3 LYS 117 29.905 3.892 6.105 918 HE2 LYS 117 HE2 LYS 117 29.905 3.944 3.089 919 HE3 LYS 117 HE3 LYS 117 29.170 5.173 4.116 920 HZ1 LYS 117 HZ1 LYS 117 31.314 5.696 5.024 921 HZ2 LYS 117 HZ2 LYS 117 31.396 5.781 3.335 922 HZ3 LYS 117 HZ3 LYS 117 32.053 4.445 4.145 923 H ASP 118 H ASP 118 28.066 1.008 7.519 924 HA ASP 118 HA ASP 118 27.741 -1.702 7.891 925 HB2 ASP 118 HB2 ASP 118 28.709 -0.956 10.235 926 HB3 ASP 118 HB3 ASP 118 27.080 -0.330 10.477 927 H LYS 119 H LYS 119 25.309 -1.711 9.296 928 HA LYS 119 HA LYS 119 23.750 0.178 7.698 929 HB2 LYS 119 HB2 LYS 119 22.969 -2.273 9.266 930 HB3 LYS 119 HB3 LYS 119 21.789 -1.176 8.561 931 HG2 LYS 119 HG2 LYS 119 21.943 -2.761 6.916 932 HG3 LYS 119 HG3 LYS 119 23.152 -1.602 6.373 933 HD2 LYS 119 HD2 LYS 119 24.866 -2.967 7.607 934 HD3 LYS 119 HD3 LYS 119 23.615 -4.190 7.840 935 HE2 LYS 119 HE2 LYS 119 23.357 -4.415 5.436 936 HE3 LYS 119 HE3 LYS 119 24.549 -3.143 5.172 937 HZ1 LYS 119 HZ1 LYS 119 26.148 -4.600 6.411 938 HZ2 LYS 119 HZ2 LYS 119 25.671 -5.170 4.892 939 HZ3 LYS 119 HZ3 LYS 119 24.999 -5.843 6.304 940 H GLN 120 H GLN 120 23.864 2.069 8.698 941 HA GLN 120 HA GLN 120 22.744 2.265 11.376 942 HB2 GLN 120 HB2 GLN 120 24.666 3.822 12.010 943 HB3 GLN 120 HB3 GLN 120 25.018 2.099 11.976 944 HG2 GLN 120 HG2 GLN 120 25.978 2.391 9.710 945 HG3 GLN 120 HG3 GLN 120 25.731 4.130 9.874 946 HE21 GLN 120 HE21 GLN 120 27.028 5.292 11.281 947 HE22 GLN 120 HE22 GLN 120 28.485 4.647 11.946 948 H LEU 121 H LEU 121 21.155 3.661 11.147 949 HA LEU 121 HA LEU 121 21.429 5.820 9.190 950 HB2 LEU 121 HB2 LEU 121 18.947 5.258 10.798 951 HB3 LEU 121 HB3 LEU 121 19.086 6.134 9.291 952 HG LEU 121 HG LEU 121 18.049 4.185 8.645 953 HD11 LEU 121 HD11 LEU 121 19.711 2.767 7.468 954 HD12 LEU 121 HD12 LEU 121 20.989 3.673 8.277 955 HD13 LEU 121 HD13 LEU 121 19.890 4.493 7.170 956 HD21 LEU 121 HD21 LEU 121 18.585 1.954 9.448 957 HD22 LEU 121 HD22 LEU 121 18.202 3.036 10.787 958 HD23 LEU 121 HD23 LEU 121 19.879 2.612 10.446 959 H THR 122 H THR 122 22.221 7.683 9.944 960 HA THR 122 HA THR 122 22.078 8.191 12.799 961 HB THR 122 HB THR 122 24.221 8.579 11.595 962 HG1 THR 122 HG1 THR 122 23.241 9.934 13.492 963 HG21 THR 122 HG21 THR 122 23.407 9.429 9.487 964 HG22 THR 122 HG22 THR 122 24.433 10.651 10.243 965 HG23 THR 122 HG23 THR 122 22.676 10.815 10.293 966 H LEU 123 H LEU 123 20.696 9.489 13.714 967 HA LEU 123 HA LEU 123 19.024 11.216 12.027 968 HB2 LEU 123 HB2 LEU 123 18.435 10.247 14.829 969 HB3 LEU 123 HB3 LEU 123 17.353 11.147 13.786 970 HG LEU 123 HG LEU 123 18.200 8.271 13.550 971 HD11 LEU 123 HD11 LEU 123 15.766 7.915 13.503 972 HD12 LEU 123 HD12 LEU 123 15.530 9.648 13.732 973 HD13 LEU 123 HD13 LEU 123 16.313 8.693 14.992 974 HD21 LEU 123 HD21 LEU 123 17.008 8.158 11.436 975 HD22 LEU 123 HD22 LEU 123 18.376 9.267 11.331 976 HD23 LEU 123 HD23 LEU 123 16.738 9.899 11.486 977 H ILE 124 H ILE 124 19.942 13.156 11.974 978 HA ILE 124 HA ILE 124 21.325 14.240 14.254 979 HB ILE 124 HB ILE 124 20.520 15.686 11.722 980 HG12 ILE 124 HG12 ILE 124 23.121 14.271 12.363 981 HG13 ILE 124 HG13 ILE 124 21.898 13.672 11.248 982 HG21 ILE 124 HG21 ILE 124 22.325 17.222 12.301 983 HG22 ILE 124 HG22 ILE 124 22.660 16.292 13.762 984 HG23 ILE 124 HG23 ILE 124 21.125 17.147 13.593 985 HD11 ILE 124 HD11 ILE 124 23.459 16.227 10.936 986 HD12 ILE 124 HD12 ILE 124 22.258 15.602 9.808 987 HD13 ILE 124 HD13 ILE 124 23.760 14.718 10.075 988 H THR 125 H THR 125 19.687 14.191 15.818 989 HA THR 125 HA THR 125 17.327 15.803 15.375 990 HB THR 125 HB THR 125 16.766 15.163 17.747 991 HG1 THR 125 HG1 THR 125 19.331 14.314 17.694 992 HG21 THR 125 HG21 THR 125 17.310 12.942 15.775 993 HG22 THR 125 HG22 THR 125 15.845 13.919 15.881 994 HG23 THR 125 HG23 THR 125 16.260 12.809 17.187 995 H CYS 126 H CYS 126 18.295 17.828 15.075 996 HA CYS 126 HA CYS 126 19.906 19.107 17.003 997 HB2 CYS 126 HB2 CYS 126 17.972 20.401 15.068 998 HB3 CYS 126 HB3 CYS 126 19.365 21.162 15.833 999 H ASP 127 H ASP 127 19.313 19.285 19.029 1000 HA ASP 127 HA ASP 127 16.537 19.388 19.823 1001 HB2 ASP 127 HB2 ASP 127 18.318 18.068 21.036 1002 HB3 ASP 127 HB3 ASP 127 19.017 19.599 21.548 1003 H ASP 128 H ASP 128 19.346 21.304 20.765 1004 HA ASP 128 HA ASP 128 17.715 23.621 21.292 1005 HB2 ASP 128 HB2 ASP 128 19.539 23.253 22.785 1006 HB3 ASP 128 HB3 ASP 128 20.677 23.083 21.455 1007 H TYR 129 H TYR 129 17.300 25.193 19.914 1008 HA TYR 129 HA TYR 129 19.047 25.755 17.677 1009 HB2 TYR 129 HB2 TYR 129 17.774 24.052 16.629 1010 HB3 TYR 129 HB3 TYR 129 16.276 24.610 17.363 1011 HD1 TYR 129 HD1 TYR 129 18.893 25.656 14.904 1012 HD2 TYR 129 HD2 TYR 129 14.843 25.985 16.173 1013 HE1 TYR 129 HE1 TYR 129 18.365 26.948 12.879 1014 HE2 TYR 129 HE2 TYR 129 14.309 27.276 14.152 1015 HH TYR 129 HH TYR 129 15.367 28.597 12.475 1016 H ASN 130 H ASN 130 19.175 27.892 17.511 1017 HA ASN 130 HA ASN 130 17.057 29.570 18.590 1018 HB2 ASN 130 HB2 ASN 130 19.442 30.186 18.978 1019 HB3 ASN 130 HB3 ASN 130 19.624 30.436 17.239 1020 HD21 ASN 130 HD21 ASN 130 19.995 32.611 17.302 1021 HD22 ASN 130 HD22 ASN 130 18.815 33.769 17.830 1022 H GLU 131 H GLU 131 15.757 30.875 17.395 1023 HA GLU 131 HA GLU 131 15.227 29.742 14.780 1024 HB2 GLU 131 HB2 GLU 131 13.527 31.795 16.147 1025 HB3 GLU 131 HB3 GLU 131 13.036 30.459 15.108 1026 HG2 GLU 131 HG2 GLU 131 13.483 28.863 16.827 1027 HG3 GLU 131 HG3 GLU 131 14.232 30.096 17.842 1028 H LYS 132 H LYS 132 15.935 32.872 16.237 1029 HA LYS 132 HA LYS 132 15.386 34.452 13.968 1030 HB2 LYS 132 HB2 LYS 132 15.871 35.021 16.539 1031 HB3 LYS 132 HB3 LYS 132 17.471 35.341 15.893 1032 HG2 LYS 132 HG2 LYS 132 14.916 36.635 14.956 1033 HG3 LYS 132 HG3 LYS 132 16.106 37.359 16.035 1034 HD2 LYS 132 HD2 LYS 132 17.780 37.281 14.272 1035 HD3 LYS 132 HD3 LYS 132 16.626 36.496 13.191 1036 HE2 LYS 132 HE2 LYS 132 15.177 38.460 13.307 1037 HE3 LYS 132 HE3 LYS 132 16.320 39.243 14.397 1038 HZ1 LYS 132 HZ1 LYS 132 17.982 39.177 12.640 1039 HZ2 LYS 132 HZ2 LYS 132 16.596 40.024 12.141 1040 HZ3 LYS 132 HZ3 LYS 132 16.867 38.442 11.590 1041 H THR 133 H THR 133 18.578 33.547 15.324 1042 HA THR 133 HA THR 133 19.852 34.502 12.917 1043 HB THR 133 HB THR 133 21.966 33.914 14.083 1044 HG1 THR 133 HG1 THR 133 21.878 33.125 16.180 1045 HG21 THR 133 HG21 THR 133 21.030 36.132 14.352 1046 HG22 THR 133 HG22 THR 133 21.717 35.599 15.889 1047 HG23 THR 133 HG23 THR 133 19.971 35.561 15.641 1048 H GLY 134 H GLY 134 18.644 31.519 14.016 1049 HA2 GLY 134 HA2 GLY 134 18.568 29.479 12.943 1050 HA3 GLY 134 HA3 GLY 134 19.440 30.212 11.606 1051 H VAL 135 H VAL 135 20.100 29.347 14.998 1052 HA VAL 135 HA VAL 135 22.492 27.915 14.104 1053 HB VAL 135 HB VAL 135 23.188 30.156 14.883 1054 HG11 VAL 135 HG11 VAL 135 21.436 30.600 16.471 1055 HG12 VAL 135 HG12 VAL 135 23.004 30.713 17.272 1056 HG13 VAL 135 HG13 VAL 135 21.994 29.283 17.500 1057 HG21 VAL 135 HG21 VAL 135 24.043 27.918 16.710 1058 HG22 VAL 135 HG22 VAL 135 24.925 29.419 16.430 1059 HG23 VAL 135 HG23 VAL 135 24.709 28.264 15.116 1060 H TRP 136 H TRP 136 23.186 26.266 15.569 1061 HA TRP 136 HA TRP 136 21.264 25.511 17.647 1062 HB2 TRP 136 HB2 TRP 136 21.565 23.093 16.735 1063 HB3 TRP 136 HB3 TRP 136 20.447 24.170 15.906 1064 HD1 TRP 136 HD1 TRP 136 23.926 22.567 15.465 1065 HE1 TRP 136 HE1 TRP 136 24.541 22.644 12.964 1066 HE3 TRP 136 HE3 TRP 136 20.001 25.358 13.743 1067 HZ2 TRP 136 HZ2 TRP 136 23.495 23.732 10.584 1068 HZ3 TRP 136 HZ3 TRP 136 19.883 25.871 11.341 1069 HH2 TRP 136 HH2 TRP 136 21.596 25.074 9.795 1070 H GLU 137 H GLU 137 22.268 24.905 19.484 1071 HA GLU 137 HA GLU 137 25.149 24.383 19.368 1072 HB2 GLU 137 HB2 GLU 137 23.355 24.739 21.776 1073 HB3 GLU 137 HB3 GLU 137 25.105 24.591 21.808 1074 HG2 GLU 137 HG2 GLU 137 25.216 26.680 20.433 1075 HG3 GLU 137 HG3 GLU 137 23.479 26.854 20.686 1076 H LYS 138 H LYS 138 22.419 23.039 21.193 1077 HA LYS 138 HA LYS 138 23.769 20.509 21.432 1078 HB2 LYS 138 HB2 LYS 138 21.068 21.469 22.367 1079 HB3 LYS 138 HB3 LYS 138 21.623 19.817 22.592 1080 HG2 LYS 138 HG2 LYS 138 23.580 20.719 23.840 1081 HG3 LYS 138 HG3 LYS 138 22.841 22.318 23.735 1082 HD2 LYS 138 HD2 LYS 138 21.501 19.907 24.958 1083 HD3 LYS 138 HD3 LYS 138 22.396 21.114 25.880 1084 HE2 LYS 138 HE2 LYS 138 19.999 21.697 24.146 1085 HE3 LYS 138 HE3 LYS 138 19.946 21.478 25.895 1086 HZ1 LYS 138 HZ1 LYS 138 21.508 23.366 26.084 1087 HZ2 LYS 138 HZ2 LYS 138 20.016 23.802 25.409 1088 HZ3 LYS 138 HZ3 LYS 138 21.374 23.621 24.418 1089 H ARG 139 H ARG 139 23.936 19.816 19.285 1090 HA ARG 139 HA ARG 139 21.395 18.876 18.156 1091 HB2 ARG 139 HB2 ARG 139 22.671 18.450 16.056 1092 HB3 ARG 139 HB3 ARG 139 22.642 20.145 16.519 1093 HG2 ARG 139 HG2 ARG 139 24.876 20.178 17.054 1094 HG3 ARG 139 HG3 ARG 139 24.941 18.441 17.350 1095 HD2 ARG 139 HD2 ARG 139 24.393 18.309 14.782 1096 HD3 ARG 139 HD3 ARG 139 25.070 19.941 14.775 1097 HE ARG 139 HE ARG 139 26.981 18.711 16.070 1098 HH11 ARG 139 HH11 ARG 139 25.284 17.684 13.174 1099 HH12 ARG 139 HH12 ARG 139 26.482 16.494 12.758 1100 HH21 ARG 139 HH21 ARG 139 28.579 17.209 15.469 1101 HH22 ARG 139 HH22 ARG 139 28.371 16.255 14.037 1102 H LYS 140 H LYS 140 21.241 17.243 19.723 1103 HA LYS 140 HA LYS 140 23.222 15.324 20.240 1104 HB2 LYS 140 HB2 LYS 140 21.332 15.675 21.742 1105 HB3 LYS 140 HB3 LYS 140 20.212 15.136 20.503 1106 HG2 LYS 140 HG2 LYS 140 22.336 13.233 21.274 1107 HG3 LYS 140 HG3 LYS 140 21.097 13.570 22.479 1108 HD2 LYS 140 HD2 LYS 140 20.433 12.789 19.646 1109 HD3 LYS 140 HD3 LYS 140 20.678 11.599 20.924 1110 HE2 LYS 140 HE2 LYS 140 18.332 11.993 20.753 1111 HE3 LYS 140 HE3 LYS 140 18.893 12.758 22.237 1112 HZ1 LYS 140 HZ1 LYS 140 18.369 14.160 19.666 1113 HZ2 LYS 140 HZ2 LYS 140 18.886 14.889 21.107 1114 HZ3 LYS 140 HZ3 LYS 140 17.359 14.178 21.028 1115 H ILE 141 H ILE 141 24.035 13.870 18.954 1116 HA ILE 141 HA ILE 141 22.683 13.157 16.501 1117 HB ILE 141 HB ILE 141 25.408 12.391 17.530 1118 HG12 ILE 141 HG12 ILE 141 25.260 14.800 17.177 1119 HG13 ILE 141 HG13 ILE 141 26.257 14.070 15.924 1120 HG21 ILE 141 HG21 ILE 141 25.873 11.757 15.215 1121 HG22 ILE 141 HG22 ILE 141 24.194 12.099 14.803 1122 HG23 ILE 141 HG23 ILE 141 24.578 10.800 15.931 1123 HD11 ILE 141 HD11 ILE 141 24.798 15.762 14.998 1124 HD12 ILE 141 HD12 ILE 141 23.384 14.918 15.631 1125 HD13 ILE 141 HD13 ILE 141 24.370 14.168 14.375 1126 H PHE 142 H PHE 142 21.613 11.368 16.243 1127 HA PHE 142 HA PHE 142 21.954 9.194 18.184 1128 HB2 PHE 142 HB2 PHE 142 19.743 9.956 18.472 1129 HB3 PHE 142 HB3 PHE 142 19.516 10.228 16.748 1130 HD1 PHE 142 HD1 PHE 142 20.822 7.165 18.391 1131 HD2 PHE 142 HD2 PHE 142 17.598 9.009 16.322 1132 HE1 PHE 142 HE1 PHE 142 19.720 4.981 18.165 1133 HE2 PHE 142 HE2 PHE 142 16.491 6.827 16.089 1134 HZ PHE 142 HZ PHE 142 17.552 4.809 17.009 1135 H VAL 143 H VAL 143 23.235 7.712 17.287 1136 HA VAL 143 HA VAL 143 22.720 6.957 14.487 1137 HB VAL 143 HB VAL 143 25.186 6.389 16.139 1138 HG11 VAL 143 HG11 VAL 143 24.608 5.974 13.207 1139 HG12 VAL 143 HG12 VAL 143 24.795 4.715 14.427 1140 HG13 VAL 143 HG13 VAL 143 26.172 5.722 13.982 1141 HG21 VAL 143 HG21 VAL 143 24.939 8.782 15.650 1142 HG22 VAL 143 HG22 VAL 143 24.801 8.411 13.934 1143 HG23 VAL 143 HG23 VAL 143 26.306 8.076 14.791 1144 H ALA 144 H ALA 144 21.401 5.258 14.391 1145 HA ALA 144 HA ALA 144 21.633 3.192 16.457 1146 HB1 ALA 144 HB1 ALA 144 19.398 4.132 16.067 1147 HB2 ALA 144 HB2 ALA 144 19.479 2.400 15.753 1148 HB3 ALA 144 HB3 ALA 144 19.458 3.539 14.406 1149 H THR 145 H THR 145 22.981 1.658 15.984 1150 HA THR 145 HA THR 145 23.521 0.915 13.219 1151 HB THR 145 HB THR 145 24.767 -0.234 15.728 1152 HG1 THR 145 HG1 THR 145 25.970 1.761 14.122 1153 HG21 THR 145 HG21 THR 145 26.606 -0.826 14.224 1154 HG22 THR 145 HG22 THR 145 25.732 -0.118 12.865 1155 HG23 THR 145 HG23 THR 145 25.094 -1.549 13.675 1156 H GLU 146 H GLU 146 22.927 -0.998 12.300 1157 HA GLU 146 HA GLU 146 20.646 -2.296 13.261 1158 HB2 GLU 146 HB2 GLU 146 21.415 -2.221 10.866 1159 HB3 GLU 146 HB3 GLU 146 22.610 -3.446 11.278 1160 HG2 GLU 146 HG2 GLU 146 20.840 -4.989 11.908 1161 HG3 GLU 146 HG3 GLU 146 19.626 -3.762 11.550 1162 H VAL 147 H VAL 147 20.365 -3.772 14.729 1163 HA VAL 147 HA VAL 147 22.663 -5.395 15.515 1164 HB VAL 147 HB VAL 147 21.999 -4.089 17.332 1165 HG11 VAL 147 HG11 VAL 147 19.789 -3.465 16.605 1166 HG12 VAL 147 HG12 VAL 147 19.736 -4.080 18.258 1167 HG13 VAL 147 HG13 VAL 147 19.215 -5.101 16.918 1168 HG21 VAL 147 HG21 VAL 147 21.516 -5.678 19.035 1169 HG22 VAL 147 HG22 VAL 147 22.549 -6.444 17.818 1170 HG23 VAL 147 HG23 VAL 147 20.818 -6.785 17.851 1171 H LYS 148 H LYS 148 22.195 -7.494 16.271 1172 HA LYS 148 HA LYS 148 20.437 -8.762 14.274 1173 HB2 LYS 148 HB2 LYS 148 22.862 -10.043 15.510 1174 HB3 LYS 148 HB3 LYS 148 22.059 -10.447 13.998 1175 HG2 LYS 148 HG2 LYS 148 23.529 -7.869 14.495 1176 HG3 LYS 148 HG3 LYS 148 24.246 -9.290 13.729 1177 HD2 LYS 148 HD2 LYS 148 22.662 -9.158 11.904 1178 HD3 LYS 148 HD3 LYS 148 21.806 -7.837 12.700 1179 HE2 LYS 148 HE2 LYS 148 23.697 -6.382 12.454 1180 HE3 LYS 148 HE3 LYS 148 24.696 -7.701 11.849 1181 HZ1 LYS 148 HZ1 LYS 148 23.266 -7.836 9.902 1182 HZ2 LYS 148 HZ2 LYS 148 23.937 -6.287 10.056 1183 HZ3 LYS 148 HZ3 LYS 148 22.316 -6.553 10.476 1184 H6 2W7 201 H6 2W7 201 17.359 21.720 11.576 1185 H7 2W7 201 H7 2W7 201 17.979 23.368 9.833 1186 H8 2W7 201 H8 2W7 201 20.079 23.084 8.552 1187 H9 2W7 201 H9 2W7 201 21.566 21.163 9.015 1188 H3 2W7 201 H3 2W7 201 22.550 19.435 12.293 1189 H122 2W7 201 H122 2W7 201 23.143 20.087 9.452 1190 H121 2W7 201 H121 2W7 201 23.765 21.009 10.833 1191 H4 2W7 201 H4 2W7 201 25.114 19.450 8.638 1192 HZ12 2W7 201 HZ12 2W7 201 25.685 16.339 9.059 1193 HZ11 2W7 201 HZ11 2W7 201 25.938 16.685 10.781 1194 HY1 2W7 201 HY1 2W7 201 27.483 14.935 10.000 1195 HX22 2W7 201 HX22 2W7 201 29.206 15.481 8.341 1196 HX21 2W7 201 HX21 2W7 201 27.573 15.627 7.647 1197 HY3 2W7 201 HY3 2W7 201 28.985 17.581 7.022 1198 HZ21 2W7 201 HZ21 2W7 201 26.560 17.903 7.335 1199 HZ22 2W7 201 HZ22 2W7 201 27.468 19.348 7.818 1200 HX31 2W7 201 HX31 2W7 201 30.465 17.525 8.991 1201 HX32 2W7 201 HX32 2W7 201 29.747 19.135 8.779 1202 HY2 2W7 201 HY2 2W7 201 29.638 18.428 11.145 1203 HZ32 2W7 201 HZ32 2W7 201 27.832 19.845 10.226 1204 HZ31 2W7 201 HZ31 2W7 201 27.216 18.741 11.470 1205 HX12 2W7 201 HX12 2W7 201 29.595 16.003 10.731 1206 HX11 2W7 201 HX11 2W7 201 28.237 16.495 11.762 Start of MODEL 7 1 HA MET 1 HA MET 1 2.531 1.932 -1.386 2 HB2 MET 1 HB2 MET 1 4.216 -0.471 -0.727 3 HB3 MET 1 HB3 MET 1 4.835 0.810 -1.760 4 HG2 MET 1 HG2 MET 1 5.567 1.141 0.509 5 HG3 MET 1 HG3 MET 1 4.460 2.430 0.042 6 HE1 MET 1 HE1 MET 1 4.082 3.172 2.531 7 HE2 MET 1 HE2 MET 1 5.243 1.952 3.049 8 HE3 MET 1 HE3 MET 1 3.669 2.063 3.836 9 H GLN 2 H GLN 2 2.413 -1.477 -2.410 10 HA GLN 2 HA GLN 2 2.118 -2.449 -4.447 11 HB2 GLN 2 HB2 GLN 2 0.262 -0.694 -4.541 12 HB3 GLN 2 HB3 GLN 2 1.362 0.268 -5.518 13 HG2 GLN 2 HG2 GLN 2 1.452 -1.545 -7.171 14 HG3 GLN 2 HG3 GLN 2 0.301 -2.465 -6.203 15 HE21 GLN 2 HE21 GLN 2 -1.229 -2.496 -7.835 16 HE22 GLN 2 HE22 GLN 2 -2.129 -1.093 -8.287 17 H ALA 3 H ALA 3 4.645 -1.249 -3.646 18 HA ALA 3 HA ALA 3 6.067 -1.350 -6.118 19 HB1 ALA 3 HB1 ALA 3 5.196 0.975 -6.182 20 HB2 ALA 3 HB2 ALA 3 6.957 0.890 -6.137 21 HB3 ALA 3 HB3 ALA 3 6.057 1.301 -4.677 22 H LYS 4 H LYS 4 8.459 -0.747 -5.657 23 HA LYS 4 HA LYS 4 9.275 -2.260 -3.378 24 HB2 LYS 4 HB2 LYS 4 11.550 -1.880 -4.187 25 HB3 LYS 4 HB3 LYS 4 10.505 -2.394 -5.504 26 HG2 LYS 4 HG2 LYS 4 10.372 -0.156 -6.352 27 HG3 LYS 4 HG3 LYS 4 11.244 0.472 -4.953 28 HD2 LYS 4 HD2 LYS 4 12.889 0.372 -6.589 29 HD3 LYS 4 HD3 LYS 4 13.132 -1.129 -5.697 30 HE2 LYS 4 HE2 LYS 4 11.546 -0.893 -8.251 31 HE3 LYS 4 HE3 LYS 4 13.235 -1.381 -8.174 32 HZ1 LYS 4 HZ1 LYS 4 11.956 -3.333 -8.297 33 HZ2 LYS 4 HZ2 LYS 4 10.878 -2.824 -7.096 34 HZ3 LYS 4 HZ3 LYS 4 12.472 -3.233 -6.689 35 HA PRO 5 HA PRO 5 9.938 1.020 -0.428 36 HB2 PRO 5 HB2 PRO 5 12.362 -0.468 0.355 37 HB3 PRO 5 HB3 PRO 5 10.950 -0.031 1.322 38 HG2 PRO 5 HG2 PRO 5 11.418 -2.561 0.514 39 HG3 PRO 5 HG3 PRO 5 9.782 -1.910 0.713 40 HD2 PRO 5 HD2 PRO 5 11.329 -2.414 -1.785 41 HD3 PRO 5 HD3 PRO 5 9.586 -2.545 -1.484 42 H GLN 6 H GLN 6 10.689 2.878 -1.206 43 HA GLN 6 HA GLN 6 13.515 3.168 -1.777 44 HB2 GLN 6 HB2 GLN 6 12.275 2.472 -3.928 45 HB3 GLN 6 HB3 GLN 6 11.523 4.058 -3.863 46 HG2 GLN 6 HG2 GLN 6 13.353 4.204 -5.352 47 HG3 GLN 6 HG3 GLN 6 13.819 5.048 -3.874 48 HE21 GLN 6 HE21 GLN 6 15.460 4.197 -2.594 49 HE22 GLN 6 HE22 GLN 6 16.498 2.934 -3.138 50 H ILE 7 H ILE 7 14.123 5.441 -1.949 51 HA ILE 7 HA ILE 7 12.267 7.175 -0.495 52 HB ILE 7 HB ILE 7 15.245 7.497 -0.966 53 HG12 ILE 7 HG12 ILE 7 13.778 6.825 1.593 54 HG13 ILE 7 HG13 ILE 7 14.539 5.616 0.561 55 HG21 ILE 7 HG21 ILE 7 15.087 9.294 0.719 56 HG22 ILE 7 HG22 ILE 7 13.331 9.113 0.719 57 HG23 ILE 7 HG23 ILE 7 14.162 9.654 -0.741 58 HD11 ILE 7 HD11 ILE 7 16.704 6.708 0.922 59 HD12 ILE 7 HD12 ILE 7 15.963 6.158 2.424 60 HD13 ILE 7 HD13 ILE 7 15.922 7.870 1.997 61 HA PRO 8 HA PRO 8 11.874 8.963 -4.614 62 HB2 PRO 8 HB2 PRO 8 9.314 9.971 -3.902 63 HB3 PRO 8 HB3 PRO 8 9.671 8.535 -4.857 64 HG2 PRO 8 HG2 PRO 8 8.498 8.552 -2.332 65 HG3 PRO 8 HG3 PRO 8 9.245 7.149 -3.113 66 HD2 PRO 8 HD2 PRO 8 10.353 8.980 -1.037 67 HD3 PRO 8 HD3 PRO 8 10.598 7.233 -1.253 68 H LYS 9 H LYS 9 11.419 11.142 -5.439 69 HA LYS 9 HA LYS 9 12.533 13.169 -3.757 70 HB2 LYS 9 HB2 LYS 9 12.391 14.588 -5.707 71 HB3 LYS 9 HB3 LYS 9 13.032 13.025 -6.168 72 HG2 LYS 9 HG2 LYS 9 10.687 12.433 -6.910 73 HG3 LYS 9 HG3 LYS 9 10.303 14.144 -6.708 74 HD2 LYS 9 HD2 LYS 9 12.399 12.961 -8.531 75 HD3 LYS 9 HD3 LYS 9 10.874 13.701 -9.018 76 HE2 LYS 9 HE2 LYS 9 13.057 15.157 -7.535 77 HE3 LYS 9 HE3 LYS 9 12.894 15.159 -9.289 78 HZ1 LYS 9 HZ1 LYS 9 10.704 16.157 -9.045 79 HZ2 LYS 9 HZ2 LYS 9 11.889 17.121 -8.318 80 HZ3 LYS 9 HZ3 LYS 9 10.872 16.171 -7.355 81 H ASP 10 H ASP 10 9.433 11.972 -4.321 82 HA ASP 10 HA ASP 10 8.057 14.413 -3.607 83 HB2 ASP 10 HB2 ASP 10 6.891 12.909 -5.113 84 HB3 ASP 10 HB3 ASP 10 7.024 11.589 -3.949 85 H LYS 11 H LYS 11 7.680 15.060 -1.658 86 HA LYS 11 HA LYS 11 8.486 13.351 0.568 87 HB2 LYS 11 HB2 LYS 11 8.466 15.506 1.849 88 HB3 LYS 11 HB3 LYS 11 9.598 15.470 0.507 89 HG2 LYS 11 HG2 LYS 11 7.762 16.628 -0.840 90 HG3 LYS 11 HG3 LYS 11 6.992 16.930 0.719 91 HD2 LYS 11 HD2 LYS 11 8.339 18.840 0.057 92 HD3 LYS 11 HD3 LYS 11 9.032 18.071 1.484 93 HE2 LYS 11 HE2 LYS 11 10.754 18.697 -0.153 94 HE3 LYS 11 HE3 LYS 11 10.693 16.955 0.114 95 HZ1 LYS 11 HZ1 LYS 11 9.349 18.307 -2.164 96 HZ2 LYS 11 HZ2 LYS 11 9.588 16.646 -1.948 97 HZ3 LYS 11 HZ3 LYS 11 10.912 17.656 -2.254 98 H SER 12 H SER 12 5.778 13.624 -1.008 99 HA SER 12 HA SER 12 3.983 14.022 1.254 100 HB2 SER 12 HB2 SER 12 3.231 13.244 -1.566 101 HB3 SER 12 HB3 SER 12 2.225 14.029 -0.349 102 HG SER 12 HG SER 12 4.171 15.095 -2.029 103 H LYS 13 H LYS 13 5.810 11.589 0.012 104 HA LYS 13 HA LYS 13 3.900 9.438 0.531 105 HB2 LYS 13 HB2 LYS 13 6.746 9.343 -0.497 106 HB3 LYS 13 HB3 LYS 13 5.658 7.969 -0.368 107 HG2 LYS 13 HG2 LYS 13 5.186 10.378 -2.108 108 HG3 LYS 13 HG3 LYS 13 5.853 8.842 -2.658 109 HD2 LYS 13 HD2 LYS 13 3.783 7.717 -1.905 110 HD3 LYS 13 HD3 LYS 13 3.119 9.292 -1.467 111 HE2 LYS 13 HE2 LYS 13 4.043 8.543 -4.236 112 HE3 LYS 13 HE3 LYS 13 2.371 8.444 -3.689 113 HZ1 LYS 13 HZ1 LYS 13 2.260 10.767 -3.441 114 HZ2 LYS 13 HZ2 LYS 13 3.003 10.512 -4.939 115 HZ3 LYS 13 HZ3 LYS 13 3.936 10.967 -3.594 116 H VAL 14 H VAL 14 4.884 7.503 1.746 117 HA VAL 14 HA VAL 14 6.598 8.444 3.954 118 HB VAL 14 HB VAL 14 4.534 6.236 4.143 119 HG11 VAL 14 HG11 VAL 14 6.467 6.000 5.631 120 HG12 VAL 14 HG12 VAL 14 4.979 6.319 6.524 121 HG13 VAL 14 HG13 VAL 14 6.155 7.612 6.277 122 HG21 VAL 14 HG21 VAL 14 3.260 7.799 5.578 123 HG22 VAL 14 HG22 VAL 14 3.383 8.352 3.906 124 HG23 VAL 14 HG23 VAL 14 4.399 9.078 5.152 125 H ALA 15 H ALA 15 8.555 7.756 3.242 126 HA ALA 15 HA ALA 15 8.887 5.282 1.826 127 HB1 ALA 15 HB1 ALA 15 10.292 7.231 1.340 128 HB2 ALA 15 HB2 ALA 15 11.257 5.828 1.803 129 HB3 ALA 15 HB3 ALA 15 10.983 7.131 2.961 130 H GLY 16 H GLY 16 9.244 6.368 5.112 131 HA2 GLY 16 HA2 GLY 16 9.746 3.626 5.954 132 HA3 GLY 16 HA3 GLY 16 10.971 4.820 6.369 133 H TYR 17 H TYR 17 9.402 3.277 8.188 134 HA TYR 17 HA TYR 17 7.984 5.465 9.569 135 HB2 TYR 17 HB2 TYR 17 6.798 3.142 8.699 136 HB3 TYR 17 HB3 TYR 17 7.274 2.708 10.334 137 HD1 TYR 17 HD1 TYR 17 5.292 5.122 8.355 138 HD2 TYR 17 HD2 TYR 17 6.112 3.538 12.212 139 HE1 TYR 17 HE1 TYR 17 3.323 6.296 9.243 140 HE2 TYR 17 HE2 TYR 17 4.140 4.697 13.114 141 HH TYR 17 HH TYR 17 2.729 6.614 12.586 142 H ILE 18 H ILE 18 8.785 5.949 11.546 143 HA ILE 18 HA ILE 18 10.879 4.171 12.577 144 HB ILE 18 HB ILE 18 11.628 6.452 12.104 145 HG12 ILE 18 HG12 ILE 18 12.611 6.956 14.327 146 HG13 ILE 18 HG13 ILE 18 11.519 5.775 15.047 147 HG21 ILE 18 HG21 ILE 18 9.572 7.288 14.135 148 HG22 ILE 18 HG22 ILE 18 9.602 7.700 12.419 149 HG23 ILE 18 HG23 ILE 18 10.843 8.335 13.501 150 HD11 ILE 18 HD11 ILE 18 12.538 4.019 13.698 151 HD12 ILE 18 HD12 ILE 18 13.724 4.838 14.714 152 HD13 ILE 18 HD13 ILE 18 13.639 5.203 12.991 153 H GLU 19 H GLU 19 10.380 2.917 14.202 154 HA GLU 19 HA GLU 19 8.408 3.861 16.159 155 HB2 GLU 19 HB2 GLU 19 8.597 1.047 15.075 156 HB3 GLU 19 HB3 GLU 19 7.498 1.591 16.335 157 HG2 GLU 19 HG2 GLU 19 6.514 3.176 14.680 158 HG3 GLU 19 HG3 GLU 19 7.505 2.411 13.441 159 H ILE 20 H ILE 20 9.258 4.031 18.050 160 HA ILE 20 HA ILE 20 11.179 1.991 18.958 161 HB ILE 20 HB ILE 20 11.107 4.897 19.817 162 HG12 ILE 20 HG12 ILE 20 13.189 3.428 18.185 163 HG13 ILE 20 HG13 ILE 20 11.989 4.526 17.517 164 HG21 ILE 20 HG21 ILE 20 13.001 2.669 20.567 165 HG22 ILE 20 HG22 ILE 20 11.799 3.416 21.622 166 HG23 ILE 20 HG23 ILE 20 13.168 4.361 21.038 167 HD11 ILE 20 HD11 ILE 20 14.143 5.266 19.485 168 HD12 ILE 20 HD12 ILE 20 12.950 6.365 18.792 169 HD13 ILE 20 HD13 ILE 20 14.154 5.602 17.754 170 HA PRO 21 HA PRO 21 7.429 1.315 21.346 171 HB2 PRO 21 HB2 PRO 21 8.349 -0.950 22.593 172 HB3 PRO 21 HB3 PRO 21 7.639 -0.925 20.976 173 HG2 PRO 21 HG2 PRO 21 10.520 -0.954 21.779 174 HG3 PRO 21 HG3 PRO 21 9.709 -1.849 20.483 175 HD2 PRO 21 HD2 PRO 21 11.158 0.354 19.974 176 HD3 PRO 21 HD3 PRO 21 9.681 -0.022 19.062 177 H ASP 22 H ASP 22 10.679 1.548 22.585 178 HA ASP 22 HA ASP 22 9.851 1.626 25.346 179 HB2 ASP 22 HB2 ASP 22 12.539 2.295 24.129 180 HB3 ASP 22 HB3 ASP 22 12.209 2.005 25.833 181 H ALA 23 H ALA 23 9.640 3.800 22.886 182 HA ALA 23 HA ALA 23 9.659 6.048 24.776 183 HB1 ALA 23 HB1 ALA 23 10.778 6.164 21.982 184 HB2 ALA 23 HB2 ALA 23 11.726 6.147 23.471 185 HB3 ALA 23 HB3 ALA 23 10.661 7.509 23.118 186 H ASP 24 H ASP 24 7.709 4.223 23.093 187 HA ASP 24 HA ASP 24 5.618 4.426 22.211 188 HB2 ASP 24 HB2 ASP 24 5.824 7.133 23.534 189 HB3 ASP 24 HB3 ASP 24 4.354 6.544 22.767 190 H ILE 25 H ILE 25 8.031 5.391 20.693 191 HA ILE 25 HA ILE 25 6.981 7.514 19.019 192 HB ILE 25 HB ILE 25 9.589 5.986 18.877 193 HG12 ILE 25 HG12 ILE 25 8.961 8.784 19.853 194 HG13 ILE 25 HG13 ILE 25 9.375 7.408 20.872 195 HG21 ILE 25 HG21 ILE 25 8.709 8.425 17.334 196 HG22 ILE 25 HG22 ILE 25 8.922 6.802 16.677 197 HG23 ILE 25 HG23 ILE 25 10.316 7.695 17.287 198 HD11 ILE 25 HD11 ILE 25 11.587 7.318 19.816 199 HD12 ILE 25 HD12 ILE 25 11.277 8.864 20.604 200 HD13 ILE 25 HD13 ILE 25 11.167 8.733 18.849 201 H LYS 26 H LYS 26 5.700 7.083 17.360 202 HA LYS 26 HA LYS 26 6.383 4.883 15.573 203 HB2 LYS 26 HB2 LYS 26 3.626 5.291 16.753 204 HB3 LYS 26 HB3 LYS 26 3.939 4.306 15.333 205 HG2 LYS 26 HG2 LYS 26 5.326 2.808 16.648 206 HG3 LYS 26 HG3 LYS 26 5.095 3.820 18.073 207 HD2 LYS 26 HD2 LYS 26 3.567 2.076 18.363 208 HD3 LYS 26 HD3 LYS 26 2.590 3.401 17.736 209 HE2 LYS 26 HE2 LYS 26 3.706 1.141 16.073 210 HE3 LYS 26 HE3 LYS 26 2.065 1.207 16.705 211 HZ1 LYS 26 HZ1 LYS 26 3.300 2.984 14.683 212 HZ2 LYS 26 HZ2 LYS 26 1.828 3.344 15.437 213 HZ3 LYS 26 HZ3 LYS 26 1.976 1.951 14.480 214 H GLU 27 H GLU 27 7.185 6.904 14.530 215 HA GLU 27 HA GLU 27 5.010 8.512 13.354 216 HB2 GLU 27 HB2 GLU 27 7.851 9.293 14.029 217 HB3 GLU 27 HB3 GLU 27 6.725 10.321 13.157 218 HG2 GLU 27 HG2 GLU 27 6.254 9.273 15.937 219 HG3 GLU 27 HG3 GLU 27 6.943 10.853 15.568 220 HA PRO 28 HA PRO 28 6.558 7.322 9.302 221 HB2 PRO 28 HB2 PRO 28 5.481 9.368 7.877 222 HB3 PRO 28 HB3 PRO 28 4.525 7.996 8.450 223 HG2 PRO 28 HG2 PRO 28 4.805 10.737 9.631 224 HG3 PRO 28 HG3 PRO 28 3.343 9.756 9.415 225 HD2 PRO 28 HD2 PRO 28 4.616 9.943 11.789 226 HD3 PRO 28 HD3 PRO 28 3.780 8.467 11.275 227 H VAL 29 H VAL 29 8.237 7.938 7.926 228 HA VAL 29 HA VAL 29 9.644 10.412 8.682 229 HB VAL 29 HB VAL 29 10.777 7.960 7.323 230 HG11 VAL 29 HG11 VAL 29 11.917 10.015 6.660 231 HG12 VAL 29 HG12 VAL 29 12.954 9.025 7.685 232 HG13 VAL 29 HG13 VAL 29 12.148 10.442 8.354 233 HG21 VAL 29 HG21 VAL 29 11.124 8.950 10.149 234 HG22 VAL 29 HG22 VAL 29 11.973 7.580 9.430 235 HG23 VAL 29 HG23 VAL 29 10.224 7.515 9.655 236 H TYR 30 H TYR 30 9.942 11.926 7.182 237 HA TYR 30 HA TYR 30 8.459 11.536 4.709 238 HB2 TYR 30 HB2 TYR 30 9.669 14.066 5.843 239 HB3 TYR 30 HB3 TYR 30 8.580 13.962 4.463 240 HD1 TYR 30 HD1 TYR 30 6.426 12.290 5.242 241 HD2 TYR 30 HD2 TYR 30 8.619 15.043 7.640 242 HE1 TYR 30 HE1 TYR 30 4.495 12.504 6.749 243 HE2 TYR 30 HE2 TYR 30 6.693 15.271 9.150 244 HH TYR 30 HH TYR 30 3.952 13.193 8.984 245 HA PRO 31 HA PRO 31 12.336 10.738 2.622 246 HB2 PRO 31 HB2 PRO 31 11.177 10.230 0.210 247 HB3 PRO 31 HB3 PRO 31 11.280 9.043 1.515 248 HG2 PRO 31 HG2 PRO 31 8.983 10.784 0.713 249 HG3 PRO 31 HG3 PRO 31 8.981 9.078 1.199 250 HD2 PRO 31 HD2 PRO 31 8.270 11.065 2.886 251 HD3 PRO 31 HD3 PRO 31 9.076 9.585 3.451 252 H GLY 32 H GLY 32 13.607 11.831 1.147 253 HA2 GLY 32 HA2 GLY 32 13.648 13.278 -0.855 254 HA3 GLY 32 HA3 GLY 32 12.425 14.254 -0.052 255 HA PRO 33 HA PRO 33 16.724 15.886 0.950 256 HB2 PRO 33 HB2 PRO 33 15.960 18.303 -0.471 257 HB3 PRO 33 HB3 PRO 33 17.348 17.251 -0.748 258 HG2 PRO 33 HG2 PRO 33 15.252 17.474 -2.476 259 HG3 PRO 33 HG3 PRO 33 16.255 16.019 -2.334 260 HD2 PRO 33 HD2 PRO 33 13.536 16.570 -1.225 261 HD3 PRO 33 HD3 PRO 33 14.196 15.064 -1.898 262 H ALA 34 H ALA 34 16.941 16.991 2.780 263 HA ALA 34 HA ALA 34 14.854 17.798 4.379 264 HB1 ALA 34 HB1 ALA 34 17.669 18.865 4.429 265 HB2 ALA 34 HB2 ALA 34 17.126 17.362 5.175 266 HB3 ALA 34 HB3 ALA 34 16.512 18.909 5.757 267 H THR 35 H THR 35 13.413 19.332 4.080 268 HA THR 35 HA THR 35 14.298 21.940 3.059 269 HB THR 35 HB THR 35 11.960 22.097 2.022 270 HG1 THR 35 HG1 THR 35 12.149 19.252 2.204 271 HG21 THR 35 HG21 THR 35 14.014 20.162 0.954 272 HG22 THR 35 HG22 THR 35 13.932 21.900 0.654 273 HG23 THR 35 HG23 THR 35 12.688 20.833 0.003 274 HA PRO 36 HA PRO 36 12.727 23.860 6.613 275 HB2 PRO 36 HB2 PRO 36 11.165 25.896 5.510 276 HB3 PRO 36 HB3 PRO 36 12.900 25.973 5.824 277 HG2 PRO 36 HG2 PRO 36 11.460 25.380 3.278 278 HG3 PRO 36 HG3 PRO 36 12.954 26.299 3.538 279 HD2 PRO 36 HD2 PRO 36 13.015 23.809 2.576 280 HD3 PRO 36 HD3 PRO 36 14.248 24.378 3.720 281 H GLU 37 H GLU 37 10.176 23.535 4.142 282 HA GLU 37 HA GLU 37 8.091 23.689 6.117 283 HB2 GLU 37 HB2 GLU 37 8.013 23.015 3.173 284 HB3 GLU 37 HB3 GLU 37 6.605 23.321 4.180 285 HG2 GLU 37 HG2 GLU 37 7.316 25.586 4.573 286 HG3 GLU 37 HG3 GLU 37 8.817 25.300 3.696 287 H GLN 38 H GLN 38 10.112 21.266 5.093 288 HA GLN 38 HA GLN 38 8.197 19.113 5.660 289 HB2 GLN 38 HB2 GLN 38 9.426 18.882 3.592 290 HB3 GLN 38 HB3 GLN 38 10.952 19.150 4.413 291 HG2 GLN 38 HG2 GLN 38 10.646 17.029 5.617 292 HG3 GLN 38 HG3 GLN 38 9.155 16.759 4.710 293 HE21 GLN 38 HE21 GLN 38 10.022 14.868 3.771 294 HE22 GLN 38 HE22 GLN 38 11.203 14.939 2.518 295 H LEU 39 H LEU 39 11.352 20.406 6.601 296 HA LEU 39 HA LEU 39 11.816 18.634 8.758 297 HB2 LEU 39 HB2 LEU 39 12.846 21.389 8.119 298 HB3 LEU 39 HB3 LEU 39 13.342 20.518 9.556 299 HG LEU 39 HG LEU 39 13.749 19.512 6.740 300 HD11 LEU 39 HD11 LEU 39 15.062 21.516 7.102 301 HD12 LEU 39 HD12 LEU 39 16.111 20.100 7.108 302 HD13 LEU 39 HD13 LEU 39 15.667 20.873 8.629 303 HD21 LEU 39 HD21 LEU 39 13.611 17.752 8.433 304 HD22 LEU 39 HD22 LEU 39 14.845 18.571 9.389 305 HD23 LEU 39 HD23 LEU 39 15.252 17.910 7.806 306 H ASN 40 H ASN 40 10.033 21.640 8.464 307 HA ASN 40 HA ASN 40 9.715 21.913 11.324 308 HB2 ASN 40 HB2 ASN 40 9.809 23.847 9.675 309 HB3 ASN 40 HB3 ASN 40 8.183 23.388 9.176 310 HD21 ASN 40 HD21 ASN 40 6.464 23.850 10.498 311 HD22 ASN 40 HD22 ASN 40 6.602 24.814 11.924 312 H ARG 41 H ARG 41 8.245 20.122 8.870 313 HA ARG 41 HA ARG 41 5.676 19.924 10.120 314 HB2 ARG 41 HB2 ARG 41 5.884 19.943 7.685 315 HB3 ARG 41 HB3 ARG 41 6.926 18.526 7.748 316 HG2 ARG 41 HG2 ARG 41 5.163 17.193 8.576 317 HG3 ARG 41 HG3 ARG 41 4.116 18.596 8.725 318 HD2 ARG 41 HD2 ARG 41 3.469 17.411 6.747 319 HD3 ARG 41 HD3 ARG 41 4.293 18.888 6.248 320 HE ARG 41 HE ARG 41 6.209 16.885 6.375 321 HH11 ARG 41 HH11 ARG 41 3.297 17.567 4.553 322 HH12 ARG 41 HH12 ARG 41 3.850 16.747 3.116 323 HH21 ARG 41 HH21 ARG 41 6.908 15.752 4.514 324 HH22 ARG 41 HH22 ARG 41 5.880 15.658 3.122 325 H GLY 42 H GLY 42 8.603 17.992 9.661 326 HA2 GLY 42 HA2 GLY 42 8.166 16.534 12.062 327 HA3 GLY 42 HA3 GLY 42 7.792 15.541 10.660 328 H VAL 43 H VAL 43 9.441 14.211 10.275 329 HA VAL 43 HA VAL 43 12.175 15.297 10.389 330 HB VAL 43 HB VAL 43 11.277 12.482 11.048 331 HG11 VAL 43 HG11 VAL 43 14.040 13.686 11.054 332 HG12 VAL 43 HG12 VAL 43 13.438 12.450 9.948 333 HG13 VAL 43 HG13 VAL 43 13.619 12.086 11.665 334 HG21 VAL 43 HG21 VAL 43 10.760 14.059 12.823 335 HG22 VAL 43 HG22 VAL 43 12.420 14.655 12.798 336 HG23 VAL 43 HG23 VAL 43 12.085 13.000 13.309 337 H SER 44 H SER 44 13.491 14.897 8.658 338 HA SER 44 HA SER 44 12.471 13.143 6.541 339 HB2 SER 44 HB2 SER 44 13.143 14.874 4.853 340 HB3 SER 44 HB3 SER 44 11.773 15.345 5.859 341 HG SER 44 HG SER 44 14.446 16.239 5.974 342 H PHE 45 H PHE 45 14.224 12.990 4.750 343 HA PHE 45 HA PHE 45 16.688 12.215 6.050 344 HB2 PHE 45 HB2 PHE 45 15.736 11.964 3.190 345 HB3 PHE 45 HB3 PHE 45 17.307 11.405 3.750 346 HD1 PHE 45 HD1 PHE 45 17.473 9.531 5.311 347 HD2 PHE 45 HD2 PHE 45 13.742 10.744 3.676 348 HE1 PHE 45 HE1 PHE 45 16.483 7.382 5.987 349 HE2 PHE 45 HE2 PHE 45 12.744 8.597 4.345 350 HZ PHE 45 HZ PHE 45 14.116 6.917 5.510 351 H ALA 46 H ALA 46 18.784 12.799 5.017 352 HA ALA 46 HA ALA 46 18.968 15.654 4.760 353 HB1 ALA 46 HB1 ALA 46 21.093 13.535 4.442 354 HB2 ALA 46 HB2 ALA 46 20.701 14.396 5.932 355 HB3 ALA 46 HB3 ALA 46 21.376 15.273 4.557 356 H GLU 47 H GLU 47 19.929 12.954 2.625 357 HA GLU 47 HA GLU 47 19.397 14.734 0.345 358 HB2 GLU 47 HB2 GLU 47 21.361 12.441 0.488 359 HB3 GLU 47 HB3 GLU 47 21.031 13.413 -0.938 360 HG2 GLU 47 HG2 GLU 47 21.798 15.409 0.396 361 HG3 GLU 47 HG3 GLU 47 22.366 14.260 1.610 362 H GLU 48 H GLU 48 19.102 13.278 -1.708 363 HA GLU 48 HA GLU 48 17.035 11.297 -1.093 364 HB2 GLU 48 HB2 GLU 48 16.282 13.397 -2.133 365 HB3 GLU 48 HB3 GLU 48 17.436 13.173 -3.436 366 HG2 GLU 48 HG2 GLU 48 16.197 10.987 -3.859 367 HG3 GLU 48 HG3 GLU 48 14.918 11.700 -2.876 368 H ASN 49 H ASN 49 20.088 11.144 -1.552 369 HA ASN 49 HA ASN 49 20.220 9.848 -4.178 370 HB2 ASN 49 HB2 ASN 49 21.801 11.706 -3.545 371 HB3 ASN 49 HB3 ASN 49 22.525 10.600 -2.380 372 HD21 ASN 49 HD21 ASN 49 21.958 11.243 -5.749 373 HD22 ASN 49 HD22 ASN 49 23.175 10.180 -6.363 374 H GLU 50 H GLU 50 20.749 9.197 -0.761 375 HA GLU 50 HA GLU 50 21.833 6.571 -1.306 376 HB2 GLU 50 HB2 GLU 50 21.707 6.303 1.198 377 HB3 GLU 50 HB3 GLU 50 22.739 7.599 0.620 378 HG2 GLU 50 HG2 GLU 50 19.927 8.229 1.355 379 HG3 GLU 50 HG3 GLU 50 21.104 7.950 2.637 380 H SER 51 H SER 51 20.849 4.629 -1.052 381 HA SER 51 HA SER 51 17.954 4.621 -1.055 382 HB2 SER 51 HB2 SER 51 19.930 2.339 -1.317 383 HB3 SER 51 HB3 SER 51 18.189 2.228 -1.576 384 HG SER 51 HG SER 51 20.157 3.490 -3.139 385 H LEU 52 H LEU 52 16.686 3.409 0.409 386 HA LEU 52 HA LEU 52 17.644 3.452 3.103 387 HB2 LEU 52 HB2 LEU 52 15.319 2.356 3.500 388 HB3 LEU 52 HB3 LEU 52 15.430 4.037 3.021 389 HG LEU 52 HG LEU 52 14.940 3.357 0.676 390 HD11 LEU 52 HD11 LEU 52 15.692 1.032 0.796 391 HD12 LEU 52 HD12 LEU 52 14.025 1.147 0.235 392 HD13 LEU 52 HD13 LEU 52 14.364 0.661 1.894 393 HD21 LEU 52 HD21 LEU 52 12.884 2.559 2.730 394 HD22 LEU 52 HD22 LEU 52 12.558 2.970 1.046 395 HD23 LEU 52 HD23 LEU 52 13.189 4.196 2.148 396 H ASP 53 H ASP 53 18.433 1.424 0.830 397 HA ASP 53 HA ASP 53 18.568 -0.900 2.633 398 HB2 ASP 53 HB2 ASP 53 17.212 -1.414 0.660 399 HB3 ASP 53 HB3 ASP 53 18.498 -0.851 -0.399 400 H ASP 54 H ASP 54 20.251 1.626 1.501 401 HA ASP 54 HA ASP 54 22.672 0.255 0.678 402 HB2 ASP 54 HB2 ASP 54 21.686 2.521 -0.233 403 HB3 ASP 54 HB3 ASP 54 22.540 3.211 1.145 404 H GLN 55 H GLN 55 24.679 1.785 1.725 405 HA GLN 55 HA GLN 55 24.569 0.822 4.501 406 HB2 GLN 55 HB2 GLN 55 26.415 0.386 2.463 407 HB3 GLN 55 HB3 GLN 55 27.208 1.541 3.528 408 HG2 GLN 55 HG2 GLN 55 26.462 -0.079 5.412 409 HG3 GLN 55 HG3 GLN 55 26.301 -1.246 4.100 410 HE21 GLN 55 HE21 GLN 55 28.606 1.342 4.217 411 HE22 GLN 55 HE22 GLN 55 30.025 0.348 4.314 412 H ASN 56 H ASN 56 23.432 3.336 3.869 413 HA ASN 56 HA ASN 56 24.512 4.732 6.055 414 HB2 ASN 56 HB2 ASN 56 25.300 6.776 5.042 415 HB3 ASN 56 HB3 ASN 56 26.208 5.430 4.372 416 HD21 ASN 56 HD21 ASN 56 23.945 7.961 3.732 417 HD22 ASN 56 HD22 ASN 56 23.940 7.805 2.014 418 H ILE 57 H ILE 57 22.883 5.718 6.998 419 HA ILE 57 HA ILE 57 20.565 6.473 5.336 420 HB ILE 57 HB ILE 57 20.452 5.642 8.241 421 HG12 ILE 57 HG12 ILE 57 21.181 3.743 6.808 422 HG13 ILE 57 HG13 ILE 57 19.594 3.488 7.522 423 HG21 ILE 57 HG21 ILE 57 18.633 7.073 7.538 424 HG22 ILE 57 HG22 ILE 57 18.042 5.430 7.788 425 HG23 ILE 57 HG23 ILE 57 18.316 6.030 6.152 426 HD11 ILE 57 HD11 ILE 57 18.548 4.102 5.402 427 HD12 ILE 57 HD12 ILE 57 19.650 2.736 5.221 428 HD13 ILE 57 HD13 ILE 57 20.144 4.345 4.690 429 H SER 58 H SER 58 20.701 8.637 5.127 430 HA SER 58 HA SER 58 21.676 10.216 7.387 431 HB2 SER 58 HB2 SER 58 21.087 11.216 4.601 432 HB3 SER 58 HB3 SER 58 22.136 11.940 5.819 433 HG SER 58 HG SER 58 22.770 10.188 3.917 434 H ILE 59 H ILE 59 19.959 10.525 8.769 435 HA ILE 59 HA ILE 59 17.580 11.849 7.619 436 HB ILE 59 HB ILE 59 17.401 10.435 10.251 437 HG12 ILE 59 HG12 ILE 59 17.119 9.032 7.583 438 HG13 ILE 59 HG13 ILE 59 18.430 8.774 8.731 439 HG21 ILE 59 HG21 ILE 59 15.549 11.829 9.402 440 HG22 ILE 59 HG22 ILE 59 15.089 10.138 9.597 441 HG23 ILE 59 HG23 ILE 59 15.432 10.775 7.991 442 HD11 ILE 59 HD11 ILE 59 16.791 7.008 8.900 443 HD12 ILE 59 HD12 ILE 59 15.515 8.187 9.199 444 HD13 ILE 59 HD13 ILE 59 16.804 7.965 10.379 445 H ALA 60 H ALA 60 16.721 13.610 8.816 446 HA ALA 60 HA ALA 60 18.247 14.505 11.153 447 HB1 ALA 60 HB1 ALA 60 19.331 15.552 9.218 448 HB2 ALA 60 HB2 ALA 60 18.538 16.747 10.245 449 HB3 ALA 60 HB3 ALA 60 17.785 16.248 8.729 450 H GLY 61 H GLY 61 17.049 15.677 12.620 451 HA2 GLY 61 HA2 GLY 61 14.454 16.718 11.907 452 HA3 GLY 61 HA3 GLY 61 14.378 15.248 12.866 453 H HIS 62 H HIS 62 14.382 18.537 13.004 454 HA HIS 62 HA HIS 62 15.719 18.810 15.557 455 HB2 HIS 62 HB2 HIS 62 15.140 21.160 15.437 456 HB3 HIS 62 HB3 HIS 62 15.761 20.651 13.870 457 HD1 HIS 62 HD1 HIS 62 13.066 22.497 15.340 458 HD2 HIS 62 HD2 HIS 62 13.488 20.057 12.010 459 HE1 HIS 62 HE1 HIS 62 11.103 23.031 13.865 460 H THR 63 H THR 63 14.766 18.431 17.471 461 HA THR 63 HA THR 63 11.829 18.291 17.499 462 HB THR 63 HB THR 63 13.796 17.019 19.415 463 HG1 THR 63 HG1 THR 63 13.683 16.139 17.210 464 HG21 THR 63 HG21 THR 63 10.798 16.741 19.146 465 HG22 THR 63 HG22 THR 63 11.661 17.504 20.482 466 HG23 THR 63 HG23 THR 63 11.817 15.768 20.209 467 H PHE 64 H PHE 64 10.819 19.948 18.471 468 HA PHE 64 HA PHE 64 12.358 21.467 20.446 469 HB2 PHE 64 HB2 PHE 64 10.775 23.361 19.940 470 HB3 PHE 64 HB3 PHE 64 11.874 22.916 18.647 471 HD1 PHE 64 HD1 PHE 64 10.956 21.453 16.761 472 HD2 PHE 64 HD2 PHE 64 8.488 23.485 19.576 473 HE1 PHE 64 HE1 PHE 64 9.062 21.315 15.196 474 HE2 PHE 64 HE2 PHE 64 6.590 23.340 18.020 475 HZ PHE 64 HZ PHE 64 6.876 22.256 15.827 476 H ILE 65 H ILE 65 11.552 21.996 22.363 477 HA ILE 65 HA ILE 65 10.180 20.114 23.778 478 HB ILE 65 HB ILE 65 10.448 23.032 24.424 479 HG12 ILE 65 HG12 ILE 65 12.194 20.704 25.232 480 HG13 ILE 65 HG13 ILE 65 12.571 21.821 23.924 481 HG21 ILE 65 HG21 ILE 65 8.778 22.017 25.844 482 HG22 ILE 65 HG22 ILE 65 10.243 22.337 26.773 483 HG23 ILE 65 HG23 ILE 65 9.879 20.697 26.238 484 HD11 ILE 65 HD11 ILE 65 12.266 22.544 26.829 485 HD12 ILE 65 HD12 ILE 65 12.655 23.660 25.517 486 HD13 ILE 65 HD13 ILE 65 13.786 22.376 25.951 487 H ASP 66 H ASP 66 8.822 22.921 22.185 488 HA ASP 66 HA ASP 66 6.390 23.141 23.480 489 HB2 ASP 66 HB2 ASP 66 7.215 24.773 21.847 490 HB3 ASP 66 HB3 ASP 66 6.946 23.615 20.547 491 H ARG 67 H ARG 67 7.389 20.745 21.133 492 HA ARG 67 HA ARG 67 4.630 19.709 21.110 493 HB2 ARG 67 HB2 ARG 67 6.790 19.257 19.045 494 HB3 ARG 67 HB3 ARG 67 5.148 18.627 18.980 495 HG2 ARG 67 HG2 ARG 67 5.919 21.533 18.932 496 HG3 ARG 67 HG3 ARG 67 5.421 20.570 17.541 497 HD2 ARG 67 HD2 ARG 67 3.224 20.340 18.361 498 HD3 ARG 67 HD3 ARG 67 3.681 20.909 19.966 499 HE ARG 67 HE ARG 67 3.939 23.126 19.038 500 HH11 ARG 67 HH11 ARG 67 2.292 20.781 17.026 501 HH12 ARG 67 HH12 ARG 67 1.426 21.974 16.105 502 HH21 ARG 67 HH21 ARG 67 2.820 24.706 17.816 503 HH22 ARG 67 HH22 ARG 67 1.754 24.215 16.532 504 HA PRO 68 HA PRO 68 6.696 16.363 23.403 505 HB2 PRO 68 HB2 PRO 68 3.974 15.725 24.220 506 HB3 PRO 68 HB3 PRO 68 5.348 16.199 25.225 507 HG2 PRO 68 HG2 PRO 68 3.204 17.802 24.849 508 HG3 PRO 68 HG3 PRO 68 4.839 18.438 25.101 509 HD2 PRO 68 HD2 PRO 68 3.305 18.116 22.544 510 HD3 PRO 68 HD3 PRO 68 4.327 19.468 23.083 511 H ASN 69 H ASN 69 4.399 16.564 20.964 512 HA ASN 69 HA ASN 69 4.211 13.646 20.680 513 HB2 ASN 69 HB2 ASN 69 2.166 15.380 20.743 514 HB3 ASN 69 HB3 ASN 69 2.526 15.447 19.021 515 HD21 ASN 69 HD21 ASN 69 3.017 12.637 21.036 516 HD22 ASN 69 HD22 ASN 69 1.783 11.656 20.308 517 H TYR 70 H TYR 70 6.408 15.543 19.889 518 HA TYR 70 HA TYR 70 6.434 15.378 16.998 519 HB2 TYR 70 HB2 TYR 70 7.562 17.158 18.627 520 HB3 TYR 70 HB3 TYR 70 8.880 15.996 18.610 521 HD1 TYR 70 HD1 TYR 70 6.872 18.288 16.541 522 HD2 TYR 70 HD2 TYR 70 10.296 15.767 16.689 523 HE1 TYR 70 HE1 TYR 70 7.695 19.297 14.456 524 HE2 TYR 70 HE2 TYR 70 11.124 16.761 14.597 525 HH TYR 70 HH TYR 70 10.183 17.973 12.612 526 H GLN 71 H GLN 71 8.387 14.293 15.978 527 HA GLN 71 HA GLN 71 8.061 11.580 16.292 528 HB2 GLN 71 HB2 GLN 71 10.365 13.083 15.062 529 HB3 GLN 71 HB3 GLN 71 10.167 11.345 14.938 530 HG2 GLN 71 HG2 GLN 71 9.421 12.429 12.920 531 HG3 GLN 71 HG3 GLN 71 8.058 11.673 13.740 532 HE21 GLN 71 HE21 GLN 71 6.338 12.895 14.252 533 HE22 GLN 71 HE22 GLN 71 6.253 14.606 14.036 534 H PHE 72 H PHE 72 10.546 13.614 17.823 535 HA PHE 72 HA PHE 72 11.559 11.173 19.116 536 HB2 PHE 72 HB2 PHE 72 13.189 13.395 17.890 537 HB3 PHE 72 HB3 PHE 72 13.860 12.129 18.914 538 HD1 PHE 72 HD1 PHE 72 13.358 9.686 18.155 539 HD2 PHE 72 HD2 PHE 72 13.136 13.084 15.607 540 HE1 PHE 72 HE1 PHE 72 13.609 8.222 16.192 541 HE2 PHE 72 HE2 PHE 72 13.387 11.630 13.640 542 HZ PHE 72 HZ PHE 72 13.624 9.196 13.929 543 H THR 73 H THR 73 9.777 13.392 20.120 544 HA THR 73 HA THR 73 11.313 14.996 21.889 545 HB THR 73 HB THR 73 8.429 14.288 22.407 546 HG1 THR 73 HG1 THR 73 8.453 16.435 20.939 547 HG21 THR 73 HG21 THR 73 8.382 16.699 23.073 548 HG22 THR 73 HG22 THR 73 10.127 16.747 22.829 549 HG23 THR 73 HG23 THR 73 9.440 15.699 24.069 550 H ASN 74 H ASN 74 10.084 11.761 22.090 551 HA ASN 74 HA ASN 74 10.513 11.696 24.987 552 HB2 ASN 74 HB2 ASN 74 8.357 10.844 23.882 553 HB3 ASN 74 HB3 ASN 74 9.321 9.481 23.330 554 HD21 ASN 74 HD21 ASN 74 8.019 8.079 24.541 555 HD22 ASN 74 HD22 ASN 74 8.194 7.941 26.263 556 H LEU 75 H LEU 75 12.639 11.617 22.805 557 HA LEU 75 HA LEU 75 13.756 9.017 22.764 558 HB2 LEU 75 HB2 LEU 75 14.786 11.738 22.139 559 HB3 LEU 75 HB3 LEU 75 15.940 10.433 22.327 560 HG LEU 75 HG LEU 75 13.734 10.648 20.288 561 HD11 LEU 75 HD11 LEU 75 16.735 10.464 20.074 562 HD12 LEU 75 HD12 LEU 75 15.750 11.898 19.779 563 HD13 LEU 75 HD13 LEU 75 15.610 10.497 18.714 564 HD21 LEU 75 HD21 LEU 75 13.793 8.352 21.067 565 HD22 LEU 75 HD22 LEU 75 15.546 8.310 20.882 566 HD23 LEU 75 HD23 LEU 75 14.513 8.461 19.461 567 H LYS 76 H LYS 76 13.543 11.231 25.292 568 HA LYS 76 HA LYS 76 16.006 10.638 26.602 569 HB2 LYS 76 HB2 LYS 76 14.938 11.684 28.586 570 HB3 LYS 76 HB3 LYS 76 14.866 12.684 27.145 571 HG2 LYS 76 HG2 LYS 76 12.758 12.937 28.042 572 HG3 LYS 76 HG3 LYS 76 12.503 11.671 26.848 573 HD2 LYS 76 HD2 LYS 76 12.442 9.988 28.509 574 HD3 LYS 76 HD3 LYS 76 13.082 11.077 29.741 575 HE2 LYS 76 HE2 LYS 76 10.421 11.443 28.376 576 HE3 LYS 76 HE3 LYS 76 10.631 10.621 29.923 577 HZ1 LYS 76 HZ1 LYS 76 10.024 12.875 30.340 578 HZ2 LYS 76 HZ2 LYS 76 11.233 13.467 29.311 579 HZ3 LYS 76 HZ3 LYS 76 11.657 12.701 30.764 580 H ALA 77 H ALA 77 12.955 9.089 26.360 581 HA ALA 77 HA ALA 77 13.294 7.414 28.679 582 HB1 ALA 77 HB1 ALA 77 11.061 8.061 27.921 583 HB2 ALA 77 HB2 ALA 77 11.256 6.307 27.911 584 HB3 ALA 77 HB3 ALA 77 11.330 7.211 26.399 585 H ALA 78 H ALA 78 14.397 7.391 25.464 586 HA ALA 78 HA ALA 78 14.651 4.489 25.321 587 HB1 ALA 78 HB1 ALA 78 15.444 4.881 23.035 588 HB2 ALA 78 HB2 ALA 78 15.377 6.621 23.312 589 HB3 ALA 78 HB3 ALA 78 13.894 5.668 23.326 590 H LYS 79 H LYS 79 16.687 3.449 25.026 591 HA LYS 79 HA LYS 79 19.002 5.055 25.851 592 HB2 LYS 79 HB2 LYS 79 19.725 2.883 27.112 593 HB3 LYS 79 HB3 LYS 79 18.657 4.039 27.878 594 HG2 LYS 79 HG2 LYS 79 17.546 1.678 26.409 595 HG3 LYS 79 HG3 LYS 79 18.137 1.521 28.062 596 HD2 LYS 79 HD2 LYS 79 15.970 3.404 27.117 597 HD3 LYS 79 HD3 LYS 79 15.725 1.915 28.031 598 HE2 LYS 79 HE2 LYS 79 16.984 2.854 29.904 599 HE3 LYS 79 HE3 LYS 79 17.255 4.336 28.987 600 HZ1 LYS 79 HZ1 LYS 79 14.828 4.654 28.936 601 HZ2 LYS 79 HZ2 LYS 79 15.446 4.650 30.512 602 HZ3 LYS 79 HZ3 LYS 79 14.633 3.287 29.921 603 H LYS 80 H LYS 80 21.021 3.386 25.751 604 HA LYS 80 HA LYS 80 21.445 3.272 22.974 605 HB2 LYS 80 HB2 LYS 80 23.669 2.765 23.440 606 HB3 LYS 80 HB3 LYS 80 23.149 3.690 24.837 607 HG2 LYS 80 HG2 LYS 80 23.397 0.690 24.705 608 HG3 LYS 80 HG3 LYS 80 24.549 1.788 25.456 609 HD2 LYS 80 HD2 LYS 80 22.784 2.506 27.030 610 HD3 LYS 80 HD3 LYS 80 21.689 1.329 26.300 611 HE2 LYS 80 HE2 LYS 80 23.362 -0.447 26.879 612 HE3 LYS 80 HE3 LYS 80 24.254 0.776 27.781 613 HZ1 LYS 80 HZ1 LYS 80 21.475 -0.123 28.310 614 HZ2 LYS 80 HZ2 LYS 80 22.262 1.126 29.146 615 HZ3 LYS 80 HZ3 LYS 80 22.840 -0.466 29.255 616 H GLY 81 H GLY 81 19.877 1.049 24.846 617 HA2 GLY 81 HA2 GLY 81 20.500 -1.087 22.907 618 HA3 GLY 81 HA3 GLY 81 20.176 -1.423 24.597 619 H SER 82 H SER 82 18.361 1.054 23.030 620 HA SER 82 HA SER 82 15.956 -0.519 23.223 621 HB2 SER 82 HB2 SER 82 16.392 2.385 22.449 622 HB3 SER 82 HB3 SER 82 14.817 1.611 22.643 623 HG SER 82 HG SER 82 15.398 1.196 24.834 624 H MET 83 H MET 83 14.987 -1.408 21.586 625 HA MET 83 HA MET 83 16.270 -1.622 19.062 626 HB2 MET 83 HB2 MET 83 13.684 -2.664 20.160 627 HB3 MET 83 HB3 MET 83 14.045 -2.811 18.445 628 HG2 MET 83 HG2 MET 83 16.177 -3.670 20.263 629 HG3 MET 83 HG3 MET 83 14.709 -4.646 20.300 630 HE1 MET 83 HE1 MET 83 17.800 -3.472 18.208 631 HE2 MET 83 HE2 MET 83 16.486 -2.712 17.310 632 HE3 MET 83 HE3 MET 83 17.398 -4.040 16.586 633 H VAL 84 H VAL 84 16.303 -0.131 17.640 634 HA VAL 84 HA VAL 84 14.077 1.704 17.265 635 HB VAL 84 HB VAL 84 16.768 1.536 15.885 636 HG11 VAL 84 HG11 VAL 84 14.627 3.643 15.687 637 HG12 VAL 84 HG12 VAL 84 15.141 2.540 14.408 638 HG13 VAL 84 HG13 VAL 84 16.253 3.768 15.017 639 HG21 VAL 84 HG21 VAL 84 17.324 3.518 17.184 640 HG22 VAL 84 HG22 VAL 84 16.917 2.161 18.234 641 HG23 VAL 84 HG23 VAL 84 15.746 3.455 17.970 642 H TYR 85 H TYR 85 12.417 0.863 16.150 643 HA TYR 85 HA TYR 85 12.958 -1.045 14.013 644 HB2 TYR 85 HB2 TYR 85 10.366 -0.132 15.266 645 HB3 TYR 85 HB3 TYR 85 10.471 -1.293 13.945 646 HD1 TYR 85 HD1 TYR 85 12.721 -2.969 14.723 647 HD2 TYR 85 HD2 TYR 85 9.629 -1.303 17.118 648 HE1 TYR 85 HE1 TYR 85 12.994 -4.803 16.346 649 HE2 TYR 85 HE2 TYR 85 9.891 -3.125 18.745 650 HH TYR 85 HH TYR 85 10.739 -5.496 18.718 651 H PHE 86 H PHE 86 13.510 -0.144 12.164 652 HA PHE 86 HA PHE 86 11.970 2.197 11.258 653 HB2 PHE 86 HB2 PHE 86 14.429 2.524 11.424 654 HB3 PHE 86 HB3 PHE 86 14.656 1.220 10.268 655 HD1 PHE 86 HD1 PHE 86 12.432 4.217 10.422 656 HD2 PHE 86 HD2 PHE 86 15.320 1.996 8.220 657 HE1 PHE 86 HE1 PHE 86 12.257 5.829 8.572 658 HE2 PHE 86 HE2 PHE 86 15.154 3.611 6.369 659 HZ PHE 86 HZ PHE 86 13.619 5.528 6.543 660 H LYS 87 H LYS 87 10.268 1.411 10.212 661 HA LYS 87 HA LYS 87 10.485 -0.960 8.563 662 HB2 LYS 87 HB2 LYS 87 8.156 0.866 9.139 663 HB3 LYS 87 HB3 LYS 87 8.061 -0.622 8.225 664 HG2 LYS 87 HG2 LYS 87 8.718 -1.898 10.185 665 HG3 LYS 87 HG3 LYS 87 8.865 -0.402 11.114 666 HD2 LYS 87 HD2 LYS 87 6.321 -1.358 9.800 667 HD3 LYS 87 HD3 LYS 87 6.725 -1.613 11.499 668 HE2 LYS 87 HE2 LYS 87 6.864 0.823 11.809 669 HE3 LYS 87 HE3 LYS 87 6.405 1.057 10.120 670 HZ1 LYS 87 HZ1 LYS 87 4.672 -0.536 11.895 671 HZ2 LYS 87 HZ2 LYS 87 4.260 0.374 10.519 672 HZ3 LYS 87 HZ3 LYS 87 4.620 1.153 11.984 673 H VAL 88 H VAL 88 10.877 -0.919 6.475 674 HA VAL 88 HA VAL 88 10.494 1.614 5.041 675 HB VAL 88 HB VAL 88 12.073 0.698 3.334 676 HG11 VAL 88 HG11 VAL 88 12.819 2.287 5.009 677 HG12 VAL 88 HG12 VAL 88 14.091 1.119 4.655 678 HG13 VAL 88 HG13 VAL 88 13.146 0.971 6.136 679 HG21 VAL 88 HG21 VAL 88 11.865 -1.686 3.838 680 HG22 VAL 88 HG22 VAL 88 12.591 -1.422 5.424 681 HG23 VAL 88 HG23 VAL 88 13.545 -1.164 3.963 682 H GLY 89 H GLY 89 8.410 1.458 4.437 683 HA2 GLY 89 HA2 GLY 89 6.666 0.782 3.056 684 HA3 GLY 89 HA3 GLY 89 7.677 -0.535 2.472 685 H ASN 90 H ASN 90 7.748 -2.488 3.612 686 HA ASN 90 HA ASN 90 5.780 -2.765 5.781 687 HB2 ASN 90 HB2 ASN 90 6.218 -4.612 3.437 688 HB3 ASN 90 HB3 ASN 90 5.314 -5.077 4.873 689 HD21 ASN 90 HD21 ASN 90 4.093 -2.490 5.268 690 HD22 ASN 90 HD22 ASN 90 2.912 -2.301 4.021 691 H GLU 91 H GLU 91 8.916 -3.342 4.646 692 HA GLU 91 HA GLU 91 9.479 -5.557 6.419 693 HB2 GLU 91 HB2 GLU 91 11.270 -3.914 4.626 694 HB3 GLU 91 HB3 GLU 91 11.799 -5.312 5.556 695 HG2 GLU 91 HG2 GLU 91 10.537 -6.792 4.278 696 HG3 GLU 91 HG3 GLU 91 9.538 -5.503 3.609 697 H THR 92 H THR 92 10.758 -5.495 8.243 698 HA THR 92 HA THR 92 10.963 -2.808 9.436 699 HB THR 92 HB THR 92 10.791 -5.443 10.902 700 HG1 THR 92 HG1 THR 92 8.895 -4.263 9.526 701 HG21 THR 92 HG21 THR 92 11.779 -3.597 12.182 702 HG22 THR 92 HG22 THR 92 10.194 -4.038 12.818 703 HG23 THR 92 HG23 THR 92 10.374 -2.595 11.821 704 H ARG 93 H ARG 93 12.987 -2.070 9.374 705 HA ARG 93 HA ARG 93 15.257 -3.871 9.670 706 HB2 ARG 93 HB2 ARG 93 15.115 -0.868 9.312 707 HB3 ARG 93 HB3 ARG 93 16.599 -1.805 9.357 708 HG2 ARG 93 HG2 ARG 93 14.447 -2.290 7.327 709 HG3 ARG 93 HG3 ARG 93 15.748 -1.124 7.084 710 HD2 ARG 93 HD2 ARG 93 17.403 -2.885 7.324 711 HD3 ARG 93 HD3 ARG 93 16.129 -4.061 7.653 712 HE ARG 93 HE ARG 93 15.324 -3.538 5.345 713 HH11 ARG 93 HH11 ARG 93 18.704 -3.117 6.220 714 HH12 ARG 93 HH12 ARG 93 19.260 -3.306 4.577 715 HH21 ARG 93 HH21 ARG 93 16.066 -3.774 3.211 716 HH22 ARG 93 HH22 ARG 93 17.764 -3.645 2.860 717 H LYS 94 H LYS 94 16.332 -4.161 11.569 718 HA LYS 94 HA LYS 94 15.382 -2.604 13.870 719 HB2 LYS 94 HB2 LYS 94 17.128 -5.052 14.041 720 HB3 LYS 94 HB3 LYS 94 16.126 -4.339 15.288 721 HG2 LYS 94 HG2 LYS 94 14.120 -5.031 14.050 722 HG3 LYS 94 HG3 LYS 94 15.156 -5.813 12.852 723 HD2 LYS 94 HD2 LYS 94 14.955 -6.489 15.789 724 HD3 LYS 94 HD3 LYS 94 14.372 -7.463 14.436 725 HE2 LYS 94 HE2 LYS 94 16.652 -7.767 13.648 726 HE3 LYS 94 HE3 LYS 94 17.260 -6.733 14.941 727 HZ1 LYS 94 HZ1 LYS 94 16.520 -8.332 16.560 728 HZ2 LYS 94 HZ2 LYS 94 17.508 -9.111 15.422 729 HZ3 LYS 94 HZ3 LYS 94 15.820 -9.300 15.354 730 H TYR 95 H TYR 95 16.628 -1.091 14.707 731 HA TYR 95 HA TYR 95 19.536 -1.323 14.312 732 HB2 TYR 95 HB2 TYR 95 17.904 1.219 14.440 733 HB3 TYR 95 HB3 TYR 95 19.653 1.129 14.284 734 HD1 TYR 95 HD1 TYR 95 16.454 0.530 12.554 735 HD2 TYR 95 HD2 TYR 95 20.687 0.674 12.183 736 HE1 TYR 95 HE1 TYR 95 16.241 0.492 10.106 737 HE2 TYR 95 HE2 TYR 95 20.481 0.637 9.732 738 HH TYR 95 HH TYR 95 18.843 -0.109 8.036 739 H LYS 96 H LYS 96 20.823 -0.877 16.065 740 HA LYS 96 HA LYS 96 19.435 -0.598 18.637 741 HB2 LYS 96 HB2 LYS 96 21.143 -2.491 18.092 742 HB3 LYS 96 HB3 LYS 96 22.359 -1.239 18.280 743 HG2 LYS 96 HG2 LYS 96 22.358 -2.038 20.393 744 HG3 LYS 96 HG3 LYS 96 21.058 -0.862 20.567 745 HD2 LYS 96 HD2 LYS 96 20.444 -3.014 21.556 746 HD3 LYS 96 HD3 LYS 96 19.403 -2.620 20.185 747 HE2 LYS 96 HE2 LYS 96 20.580 -4.143 18.765 748 HE3 LYS 96 HE3 LYS 96 21.831 -4.397 19.980 749 HZ1 LYS 96 HZ1 LYS 96 20.076 -6.189 19.741 750 HZ2 LYS 96 HZ2 LYS 96 18.998 -5.110 20.486 751 HZ3 LYS 96 HZ3 LYS 96 20.378 -5.632 21.314 752 H MET 97 H MET 97 19.900 1.156 19.974 753 HA MET 97 HA MET 97 20.930 3.481 18.627 754 HB2 MET 97 HB2 MET 97 20.087 3.222 21.524 755 HB3 MET 97 HB3 MET 97 20.250 4.711 20.604 756 HG2 MET 97 HG2 MET 97 18.423 3.931 19.124 757 HG3 MET 97 HG3 MET 97 18.213 2.539 20.183 758 HE1 MET 97 HE1 MET 97 18.901 6.389 20.927 759 HE2 MET 97 HE2 MET 97 17.255 6.920 21.273 760 HE3 MET 97 HE3 MET 97 17.678 6.347 19.657 761 H THR 98 H THR 98 23.039 2.141 18.469 762 HA THR 98 HA THR 98 24.639 1.597 20.682 763 HB THR 98 HB THR 98 26.520 1.509 19.034 764 HG1 THR 98 HG1 THR 98 25.523 1.705 16.744 765 HG21 THR 98 HG21 THR 98 25.052 -0.434 19.404 766 HG22 THR 98 HG22 THR 98 25.611 -0.349 17.733 767 HG23 THR 98 HG23 THR 98 23.969 0.153 18.141 768 H SER 99 H SER 99 24.542 4.476 18.605 769 HA SER 99 HA SER 99 26.528 5.713 20.389 770 HB2 SER 99 HB2 SER 99 25.933 6.530 17.548 771 HB3 SER 99 HB3 SER 99 27.310 7.001 18.542 772 HG SER 99 HG SER 99 26.757 4.324 17.774 773 H ILE 100 H ILE 100 25.215 6.678 21.866 774 HA ILE 100 HA ILE 100 23.589 8.905 20.821 775 HB ILE 100 HB ILE 100 23.173 7.495 23.469 776 HG12 ILE 100 HG12 ILE 100 21.466 7.379 20.973 777 HG13 ILE 100 HG13 ILE 100 22.526 6.087 21.532 778 HG21 ILE 100 HG21 ILE 100 21.558 9.639 22.086 779 HG22 ILE 100 HG22 ILE 100 22.561 9.854 23.520 780 HG23 ILE 100 HG23 ILE 100 21.122 8.836 23.595 781 HD11 ILE 100 HD11 ILE 100 20.222 5.647 22.133 782 HD12 ILE 100 HD12 ILE 100 20.139 7.179 23.004 783 HD13 ILE 100 HD13 ILE 100 21.205 5.895 23.576 784 H ARG 101 H ARG 101 24.890 10.656 21.018 785 HA ARG 101 HA ARG 101 25.968 11.267 23.641 786 HB2 ARG 101 HB2 ARG 101 27.699 9.932 22.375 787 HB3 ARG 101 HB3 ARG 101 27.798 11.272 21.246 788 HG2 ARG 101 HG2 ARG 101 28.496 12.742 23.066 789 HG3 ARG 101 HG3 ARG 101 28.400 11.385 24.191 790 HD2 ARG 101 HD2 ARG 101 30.042 10.199 22.659 791 HD3 ARG 101 HD3 ARG 101 30.286 11.760 21.882 792 HE ARG 101 HE ARG 101 30.648 11.677 24.770 793 HH11 ARG 101 HH11 ARG 101 32.113 11.669 21.595 794 HH12 ARG 101 HH12 ARG 101 33.706 12.046 22.174 795 HH21 ARG 101 HH21 ARG 101 32.753 12.150 25.548 796 HH22 ARG 101 HH22 ARG 101 34.080 12.273 24.428 797 H ASP 102 H ASP 102 26.476 13.440 23.919 798 HA ASP 102 HA ASP 102 25.122 15.213 22.033 799 HB2 ASP 102 HB2 ASP 102 26.248 15.792 24.788 800 HB3 ASP 102 HB3 ASP 102 25.285 16.900 23.819 801 H VAL 103 H VAL 103 26.207 16.535 20.692 802 HA VAL 103 HA VAL 103 29.130 16.694 21.030 803 HB VAL 103 HB VAL 103 27.570 16.928 18.445 804 HG11 VAL 103 HG11 VAL 103 29.713 18.137 18.466 805 HG12 VAL 103 HG12 VAL 103 29.723 16.775 17.346 806 HG13 VAL 103 HG13 VAL 103 30.539 16.642 18.906 807 HG21 VAL 103 HG21 VAL 103 28.494 14.707 17.914 808 HG22 VAL 103 HG22 VAL 103 27.397 14.673 19.294 809 HG23 VAL 103 HG23 VAL 103 29.140 14.604 19.553 810 H LYS 104 H LYS 104 30.156 18.687 20.633 811 HA LYS 104 HA LYS 104 28.855 20.947 21.610 812 HB2 LYS 104 HB2 LYS 104 31.375 20.776 19.955 813 HB3 LYS 104 HB3 LYS 104 30.833 22.219 20.798 814 HG2 LYS 104 HG2 LYS 104 30.916 20.839 22.921 815 HG3 LYS 104 HG3 LYS 104 31.778 19.625 21.973 816 HD2 LYS 104 HD2 LYS 104 33.361 21.057 23.133 817 HD3 LYS 104 HD3 LYS 104 33.472 21.312 21.389 818 HE2 LYS 104 HE2 LYS 104 32.060 23.311 21.605 819 HE3 LYS 104 HE3 LYS 104 31.979 23.056 23.348 820 HZ1 LYS 104 HZ1 LYS 104 33.632 24.717 22.747 821 HZ2 LYS 104 HZ2 LYS 104 34.461 23.581 21.804 822 HZ3 LYS 104 HZ3 LYS 104 34.362 23.372 23.482 823 HA PRO 105 HA PRO 105 26.811 22.255 17.882 824 HB2 PRO 105 HB2 PRO 105 25.262 24.109 19.008 825 HB3 PRO 105 HB3 PRO 105 24.981 22.389 19.294 826 HG2 PRO 105 HG2 PRO 105 26.291 24.413 21.054 827 HG3 PRO 105 HG3 PRO 105 25.188 23.096 21.488 828 HD2 PRO 105 HD2 PRO 105 27.949 23.003 21.717 829 HD3 PRO 105 HD3 PRO 105 26.885 21.586 21.648 830 H THR 106 H THR 106 29.018 23.939 19.791 831 HA THR 106 HA THR 106 28.782 26.466 18.365 832 HB THR 106 HB THR 106 30.647 27.140 19.951 833 HG1 THR 106 HG1 THR 106 31.532 25.250 20.629 834 HG21 THR 106 HG21 THR 106 28.320 27.715 20.406 835 HG22 THR 106 HG22 THR 106 29.159 27.306 21.903 836 HG23 THR 106 HG23 THR 106 28.063 26.141 21.157 837 H ASP 107 H ASP 107 30.476 23.548 18.116 838 HA ASP 107 HA ASP 107 32.584 24.824 16.533 839 HB2 ASP 107 HB2 ASP 107 33.017 22.733 18.675 840 HB3 ASP 107 HB3 ASP 107 34.244 23.267 17.534 841 H VAL 108 H VAL 108 32.506 24.008 14.560 842 HA VAL 108 HA VAL 108 31.889 21.155 14.221 843 HB VAL 108 HB VAL 108 31.815 21.592 11.816 844 HG11 VAL 108 HG11 VAL 108 30.189 23.574 13.398 845 HG12 VAL 108 HG12 VAL 108 29.776 21.887 13.091 846 HG13 VAL 108 HG13 VAL 108 29.842 23.036 11.755 847 HG21 VAL 108 HG21 VAL 108 32.424 24.459 12.518 848 HG22 VAL 108 HG22 VAL 108 31.991 23.855 10.919 849 HG23 VAL 108 HG23 VAL 108 33.501 23.348 11.674 850 H GLU 109 H GLU 109 34.385 22.960 15.018 851 HA GLU 109 HA GLU 109 36.459 22.047 13.277 852 HB2 GLU 109 HB2 GLU 109 36.881 23.070 16.076 853 HB3 GLU 109 HB3 GLU 109 37.944 23.222 14.687 854 HG2 GLU 109 HG2 GLU 109 35.322 24.642 15.070 855 HG3 GLU 109 HG3 GLU 109 36.925 25.345 15.267 856 H VAL 110 H VAL 110 34.799 20.768 15.942 857 HA VAL 110 HA VAL 110 36.976 19.109 16.884 858 HB VAL 110 HB VAL 110 35.369 18.305 18.570 859 HG11 VAL 110 HG11 VAL 110 35.476 21.306 18.285 860 HG12 VAL 110 HG12 VAL 110 36.703 20.284 19.036 861 HG13 VAL 110 HG13 VAL 110 35.106 20.429 19.770 862 HG21 VAL 110 HG21 VAL 110 33.324 18.407 17.255 863 HG22 VAL 110 HG22 VAL 110 33.429 20.167 17.203 864 HG23 VAL 110 HG23 VAL 110 33.150 19.345 18.738 865 H LEU 111 H LEU 111 35.203 18.852 14.257 866 HA LEU 111 HA LEU 111 34.161 16.188 14.527 867 HB2 LEU 111 HB2 LEU 111 34.338 18.176 12.316 868 HB3 LEU 111 HB3 LEU 111 34.056 16.497 11.909 869 HG LEU 111 HG LEU 111 31.961 17.750 12.019 870 HD11 LEU 111 HD11 LEU 111 30.749 16.256 13.517 871 HD12 LEU 111 HD12 LEU 111 32.267 15.768 14.271 872 HD13 LEU 111 HD13 LEU 111 31.958 15.380 12.578 873 HD21 LEU 111 HD21 LEU 111 31.124 18.617 14.139 874 HD22 LEU 111 HD22 LEU 111 32.615 19.433 13.667 875 HD23 LEU 111 HD23 LEU 111 32.646 18.195 14.923 876 H ASP 112 H ASP 112 35.421 14.518 14.623 877 HA ASP 112 HA ASP 112 37.934 14.439 13.136 878 HB2 ASP 112 HB2 ASP 112 38.280 13.602 15.288 879 HB3 ASP 112 HB3 ASP 112 36.749 12.747 15.312 880 H GLU 113 H GLU 113 38.281 13.136 11.443 881 HA GLU 113 HA GLU 113 35.811 12.116 10.216 882 HB2 GLU 113 HB2 GLU 113 38.283 13.293 8.945 883 HB3 GLU 113 HB3 GLU 113 36.907 12.652 8.054 884 HG2 GLU 113 HG2 GLU 113 35.475 14.356 8.864 885 HG3 GLU 113 HG3 GLU 113 36.664 14.883 10.052 886 H GLN 114 H GLN 114 35.675 10.041 9.795 887 HA GLN 114 HA GLN 114 38.158 8.505 9.435 888 HB2 GLN 114 HB2 GLN 114 35.542 7.475 10.553 889 HB3 GLN 114 HB3 GLN 114 37.025 6.552 10.356 890 HG2 GLN 114 HG2 GLN 114 36.552 8.848 12.234 891 HG3 GLN 114 HG3 GLN 114 36.774 7.151 12.652 892 HE21 GLN 114 HE21 GLN 114 38.231 9.585 13.408 893 HE22 GLN 114 HE22 GLN 114 39.881 9.303 12.988 894 H LYS 115 H LYS 115 38.287 7.201 7.684 895 HA LYS 115 HA LYS 115 36.262 7.497 5.636 896 HB2 LYS 115 HB2 LYS 115 38.892 6.004 5.681 897 HB3 LYS 115 HB3 LYS 115 37.852 6.134 4.268 898 HG2 LYS 115 HG2 LYS 115 38.147 8.532 4.226 899 HG3 LYS 115 HG3 LYS 115 39.094 8.468 5.714 900 HD2 LYS 115 HD2 LYS 115 40.537 8.680 3.752 901 HD3 LYS 115 HD3 LYS 115 40.803 7.144 4.576 902 HE2 LYS 115 HE2 LYS 115 40.739 6.894 2.130 903 HE3 LYS 115 HE3 LYS 115 39.454 5.990 2.931 904 HZ1 LYS 115 HZ1 LYS 115 38.770 7.244 0.905 905 HZ2 LYS 115 HZ2 LYS 115 39.058 8.686 1.751 906 HZ3 LYS 115 HZ3 LYS 115 37.866 7.604 2.291 907 H GLY 116 H GLY 116 34.992 6.321 7.603 908 HA2 GLY 116 HA2 GLY 116 34.872 3.468 6.857 909 HA3 GLY 116 HA3 GLY 116 34.731 3.999 8.527 910 H LYS 117 H LYS 117 32.889 2.529 6.715 911 HA LYS 117 HA LYS 117 30.528 4.226 7.174 912 HB2 LYS 117 HB2 LYS 117 30.996 2.498 4.740 913 HB3 LYS 117 HB3 LYS 117 29.524 3.378 5.096 914 HG2 LYS 117 HG2 LYS 117 32.120 4.832 4.822 915 HG3 LYS 117 HG3 LYS 117 31.200 4.351 3.398 916 HD2 LYS 117 HD2 LYS 117 29.238 5.559 4.317 917 HD3 LYS 117 HD3 LYS 117 30.245 6.110 5.656 918 HE2 LYS 117 HE2 LYS 117 31.657 7.347 4.184 919 HE3 LYS 117 HE3 LYS 117 30.901 6.632 2.763 920 HZ1 LYS 117 HZ1 LYS 117 30.091 8.867 3.116 921 HZ2 LYS 117 HZ2 LYS 117 29.594 8.484 4.692 922 HZ3 LYS 117 HZ3 LYS 117 28.830 7.761 3.361 923 H ASP 118 H ASP 118 28.516 2.892 7.158 924 HA ASP 118 HA ASP 118 28.506 0.087 7.199 925 HB2 ASP 118 HB2 ASP 118 29.535 0.862 9.557 926 HB3 ASP 118 HB3 ASP 118 27.825 1.055 9.927 927 H LYS 119 H LYS 119 26.305 -0.536 8.489 928 HA LYS 119 HA LYS 119 24.343 1.085 7.097 929 HB2 LYS 119 HB2 LYS 119 23.932 -1.396 8.766 930 HB3 LYS 119 HB3 LYS 119 22.748 -0.657 7.703 931 HG2 LYS 119 HG2 LYS 119 23.475 -2.362 6.372 932 HG3 LYS 119 HG3 LYS 119 24.612 -1.102 5.889 933 HD2 LYS 119 HD2 LYS 119 25.747 -3.239 6.326 934 HD3 LYS 119 HD3 LYS 119 26.273 -1.973 7.436 935 HE2 LYS 119 HE2 LYS 119 24.389 -2.929 8.969 936 HE3 LYS 119 HE3 LYS 119 24.561 -4.365 7.959 937 HZ1 LYS 119 HZ1 LYS 119 26.724 -3.055 9.519 938 HZ2 LYS 119 HZ2 LYS 119 26.929 -4.405 8.509 939 HZ3 LYS 119 HZ3 LYS 119 25.962 -4.525 9.900 940 H GLN 120 H GLN 120 24.345 2.974 8.311 941 HA GLN 120 HA GLN 120 23.117 2.799 10.947 942 HB2 GLN 120 HB2 GLN 120 24.845 4.349 11.885 943 HB3 GLN 120 HB3 GLN 120 25.449 2.742 11.503 944 HG2 GLN 120 HG2 GLN 120 26.342 3.637 9.370 945 HG3 GLN 120 HG3 GLN 120 25.836 5.246 9.878 946 HE21 GLN 120 HE21 GLN 120 26.969 6.298 11.495 947 HE22 GLN 120 HE22 GLN 120 28.514 5.757 12.045 948 H LEU 121 H LEU 121 21.960 4.581 11.540 949 HA LEU 121 HA LEU 121 21.754 6.702 9.526 950 HB2 LEU 121 HB2 LEU 121 19.612 7.300 10.775 951 HB3 LEU 121 HB3 LEU 121 19.602 5.843 9.802 952 HG LEU 121 HG LEU 121 20.180 5.623 12.728 953 HD11 LEU 121 HD11 LEU 121 18.192 7.041 12.597 954 HD12 LEU 121 HD12 LEU 121 17.786 5.424 13.178 955 HD13 LEU 121 HD13 LEU 121 17.432 5.878 11.510 956 HD21 LEU 121 HD21 LEU 121 20.409 3.664 11.296 957 HD22 LEU 121 HD22 LEU 121 18.756 3.878 10.720 958 HD23 LEU 121 HD23 LEU 121 19.056 3.470 12.410 959 H THR 122 H THR 122 22.786 8.475 9.939 960 HA THR 122 HA THR 122 23.659 9.111 12.636 961 HB THR 122 HB THR 122 25.314 9.321 10.896 962 HG1 THR 122 HG1 THR 122 24.425 11.892 11.749 963 HG21 THR 122 HG21 THR 122 23.344 11.186 9.591 964 HG22 THR 122 HG22 THR 122 23.895 9.624 8.984 965 HG23 THR 122 HG23 THR 122 25.018 10.985 9.066 966 H LEU 123 H LEU 123 21.180 9.310 12.907 967 HA LEU 123 HA LEU 123 19.700 11.475 12.026 968 HB2 LEU 123 HB2 LEU 123 19.530 9.559 14.230 969 HB3 LEU 123 HB3 LEU 123 18.746 11.092 14.561 970 HG LEU 123 HG LEU 123 18.168 9.387 12.139 971 HD11 LEU 123 HD11 LEU 123 16.678 9.655 14.745 972 HD12 LEU 123 HD12 LEU 123 17.471 8.204 14.124 973 HD13 LEU 123 HD13 LEU 123 16.055 8.859 13.299 974 HD21 LEU 123 HD21 LEU 123 16.843 11.833 13.296 975 HD22 LEU 123 HD22 LEU 123 16.172 10.850 11.995 976 HD23 LEU 123 HD23 LEU 123 17.692 11.711 11.753 977 H ILE 124 H ILE 124 20.190 13.519 12.127 978 HA ILE 124 HA ILE 124 21.561 14.632 14.438 979 HB ILE 124 HB ILE 124 20.536 16.056 11.970 980 HG12 ILE 124 HG12 ILE 124 23.338 15.101 12.615 981 HG13 ILE 124 HG13 ILE 124 22.254 14.336 11.459 982 HG21 ILE 124 HG21 ILE 124 21.996 17.871 12.651 983 HG22 ILE 124 HG22 ILE 124 22.522 16.952 14.059 984 HG23 ILE 124 HG23 ILE 124 20.851 17.502 13.938 985 HD11 ILE 124 HD11 ILE 124 23.401 17.112 11.260 986 HD12 ILE 124 HD12 ILE 124 22.268 16.391 10.117 987 HD13 ILE 124 HD13 ILE 124 23.878 15.701 10.316 988 H THR 125 H THR 125 20.167 14.630 16.121 989 HA THR 125 HA THR 125 17.558 15.933 15.733 990 HB THR 125 HB THR 125 17.021 14.777 17.971 991 HG1 THR 125 HG1 THR 125 19.427 14.163 18.078 992 HG21 THR 125 HG21 THR 125 16.402 12.692 16.842 993 HG22 THR 125 HG22 THR 125 17.467 13.104 15.497 994 HG23 THR 125 HG23 THR 125 16.047 14.095 15.835 995 H CYS 126 H CYS 126 17.748 18.019 16.263 996 HA CYS 126 HA CYS 126 19.529 18.918 18.331 997 HB2 CYS 126 HB2 CYS 126 17.588 20.904 17.561 998 HB3 CYS 126 HB3 CYS 126 19.326 20.883 17.284 999 H ASP 127 H ASP 127 19.018 19.644 20.352 1000 HA ASP 127 HA ASP 127 16.541 18.604 21.474 1001 HB2 ASP 127 HB2 ASP 127 18.850 19.947 22.899 1002 HB3 ASP 127 HB3 ASP 127 17.564 19.010 23.639 1003 H ASP 128 H ASP 128 18.260 21.682 21.209 1004 HA ASP 128 HA ASP 128 16.220 23.055 22.751 1005 HB2 ASP 128 HB2 ASP 128 18.783 24.048 21.497 1006 HB3 ASP 128 HB3 ASP 128 17.695 25.045 22.453 1007 H TYR 129 H TYR 129 15.462 25.190 22.001 1008 HA TYR 129 HA TYR 129 15.557 25.740 19.187 1009 HB2 TYR 129 HB2 TYR 129 13.268 25.600 18.663 1010 HB3 TYR 129 HB3 TYR 129 13.594 24.113 19.540 1011 HD1 TYR 129 HD1 TYR 129 12.827 23.912 21.933 1012 HD2 TYR 129 HD2 TYR 129 11.686 27.172 19.447 1013 HE1 TYR 129 HE1 TYR 129 10.968 24.426 23.461 1014 HE2 TYR 129 HE2 TYR 129 9.832 27.698 20.971 1015 HH TYR 129 HH TYR 129 9.552 26.346 24.074 1016 H ASN 130 H ASN 130 15.780 27.854 18.987 1017 HA ASN 130 HA ASN 130 14.894 29.602 21.152 1018 HB2 ASN 130 HB2 ASN 130 17.145 30.012 20.320 1019 HB3 ASN 130 HB3 ASN 130 16.537 30.197 18.677 1020 HD21 ASN 130 HD21 ASN 130 17.531 32.267 18.652 1021 HD22 ASN 130 HD22 ASN 130 16.780 33.625 19.427 1022 H GLU 131 H GLU 131 12.917 30.252 21.093 1023 HA GLU 131 HA GLU 131 11.151 29.750 19.003 1024 HB2 GLU 131 HB2 GLU 131 9.565 31.151 20.361 1025 HB3 GLU 131 HB3 GLU 131 10.351 29.841 21.237 1026 HG2 GLU 131 HG2 GLU 131 12.022 31.521 22.050 1027 HG3 GLU 131 HG3 GLU 131 11.001 32.772 21.347 1028 H LYS 132 H LYS 132 13.103 32.577 19.598 1029 HA LYS 132 HA LYS 132 11.442 34.396 18.151 1030 HB2 LYS 132 HB2 LYS 132 13.292 34.861 19.940 1031 HB3 LYS 132 HB3 LYS 132 14.381 34.836 18.562 1032 HG2 LYS 132 HG2 LYS 132 12.051 36.703 18.981 1033 HG3 LYS 132 HG3 LYS 132 13.766 37.098 19.088 1034 HD2 LYS 132 HD2 LYS 132 14.067 36.742 16.744 1035 HD3 LYS 132 HD3 LYS 132 12.434 36.093 16.580 1036 HE2 LYS 132 HE2 LYS 132 11.538 38.302 17.249 1037 HE3 LYS 132 HE3 LYS 132 13.187 38.927 17.283 1038 HZ1 LYS 132 HZ1 LYS 132 12.060 39.436 15.195 1039 HZ2 LYS 132 HZ2 LYS 132 11.833 37.783 14.896 1040 HZ3 LYS 132 HZ3 LYS 132 13.402 38.428 14.937 1041 H THR 133 H THR 133 14.812 33.589 17.336 1042 HA THR 133 HA THR 133 14.111 34.170 14.563 1043 HB THR 133 HB THR 133 15.823 35.584 15.374 1044 HG1 THR 133 HG1 THR 133 16.599 33.605 13.554 1045 HG21 THR 133 HG21 THR 133 17.303 33.110 16.257 1046 HG22 THR 133 HG22 THR 133 16.526 34.302 17.304 1047 HG23 THR 133 HG23 THR 133 17.925 34.759 16.332 1048 H GLY 134 H GLY 134 14.446 31.448 16.390 1049 HA2 GLY 134 HA2 GLY 134 14.310 29.265 15.611 1050 HA3 GLY 134 HA3 GLY 134 14.681 29.849 13.997 1051 H VAL 135 H VAL 135 16.143 29.226 17.157 1052 HA VAL 135 HA VAL 135 18.585 28.355 15.748 1053 HB VAL 135 HB VAL 135 18.447 29.433 18.572 1054 HG11 VAL 135 HG11 VAL 135 20.819 28.680 16.869 1055 HG12 VAL 135 HG12 VAL 135 20.216 27.793 18.270 1056 HG13 VAL 135 HG13 VAL 135 20.893 29.408 18.473 1057 HG21 VAL 135 HG21 VAL 135 18.086 31.246 17.023 1058 HG22 VAL 135 HG22 VAL 135 19.480 30.748 16.070 1059 HG23 VAL 135 HG23 VAL 135 19.706 31.364 17.705 1060 H TRP 136 H TRP 136 19.337 26.349 16.252 1061 HA TRP 136 HA TRP 136 18.001 24.924 18.451 1062 HB2 TRP 136 HB2 TRP 136 19.225 23.042 16.713 1063 HB3 TRP 136 HB3 TRP 136 17.510 23.266 17.029 1064 HD1 TRP 136 HD1 TRP 136 20.195 23.986 14.434 1065 HE1 TRP 136 HE1 TRP 136 19.067 24.826 12.280 1066 HE3 TRP 136 HE3 TRP 136 15.425 24.555 16.182 1067 HZ2 TRP 136 HZ2 TRP 136 16.500 25.627 11.433 1068 HZ3 TRP 136 HZ3 TRP 136 13.693 25.366 14.635 1069 HH2 TRP 136 HH2 TRP 136 14.221 25.891 12.310 1070 H GLU 137 H GLU 137 19.369 24.998 20.118 1071 HA GLU 137 HA GLU 137 22.156 25.432 19.729 1072 HB2 GLU 137 HB2 GLU 137 20.623 24.809 22.250 1073 HB3 GLU 137 HB3 GLU 137 22.303 25.322 22.191 1074 HG2 GLU 137 HG2 GLU 137 21.617 27.441 21.169 1075 HG3 GLU 137 HG3 GLU 137 19.934 26.928 21.253 1076 H LYS 138 H LYS 138 21.014 22.964 22.012 1077 HA LYS 138 HA LYS 138 23.242 21.319 21.480 1078 HB2 LYS 138 HB2 LYS 138 20.623 20.750 22.854 1079 HB3 LYS 138 HB3 LYS 138 21.888 19.542 22.699 1080 HG2 LYS 138 HG2 LYS 138 23.419 21.059 23.910 1081 HG3 LYS 138 HG3 LYS 138 22.070 22.171 24.148 1082 HD2 LYS 138 HD2 LYS 138 22.292 20.857 26.135 1083 HD3 LYS 138 HD3 LYS 138 20.843 20.316 25.291 1084 HE2 LYS 138 HE2 LYS 138 23.489 18.942 24.921 1085 HE3 LYS 138 HE3 LYS 138 22.421 18.534 26.258 1086 HZ1 LYS 138 HZ1 LYS 138 21.613 18.413 23.396 1087 HZ2 LYS 138 HZ2 LYS 138 20.733 17.862 24.726 1088 HZ3 LYS 138 HZ3 LYS 138 22.171 17.081 24.284 1089 H ARG 139 H ARG 139 23.627 19.895 19.941 1090 HA ARG 139 HA ARG 139 21.326 18.623 18.633 1091 HB2 ARG 139 HB2 ARG 139 23.957 19.493 17.501 1092 HB3 ARG 139 HB3 ARG 139 23.179 18.063 16.836 1093 HG2 ARG 139 HG2 ARG 139 22.350 19.664 15.449 1094 HG3 ARG 139 HG3 ARG 139 21.097 19.648 16.688 1095 HD2 ARG 139 HD2 ARG 139 21.408 21.862 16.768 1096 HD3 ARG 139 HD3 ARG 139 22.868 21.482 17.680 1097 HE ARG 139 HE ARG 139 23.221 21.485 14.808 1098 HH11 ARG 139 HH11 ARG 139 23.188 23.466 17.702 1099 HH12 ARG 139 HH12 ARG 139 24.273 24.659 17.060 1100 HH21 ARG 139 HH21 ARG 139 24.697 23.070 13.957 1101 HH22 ARG 139 HH22 ARG 139 25.115 24.442 14.941 1102 H LYS 140 H LYS 140 21.094 16.879 19.919 1103 HA LYS 140 HA LYS 140 23.363 15.307 20.729 1104 HB2 LYS 140 HB2 LYS 140 21.711 13.773 21.689 1105 HB3 LYS 140 HB3 LYS 140 21.381 15.431 22.170 1106 HG2 LYS 140 HG2 LYS 140 19.309 15.224 21.430 1107 HG3 LYS 140 HG3 LYS 140 19.916 14.917 19.802 1108 HD2 LYS 140 HD2 LYS 140 18.470 13.100 20.526 1109 HD3 LYS 140 HD3 LYS 140 20.130 12.529 20.344 1110 HE2 LYS 140 HE2 LYS 140 20.471 12.692 22.742 1111 HE3 LYS 140 HE3 LYS 140 18.844 13.341 22.949 1112 HZ1 LYS 140 HZ1 LYS 140 18.875 11.012 23.480 1113 HZ2 LYS 140 HZ2 LYS 140 19.540 10.629 21.971 1114 HZ3 LYS 140 HZ3 LYS 140 17.972 11.247 22.068 1115 H ILE 141 H ILE 141 24.263 13.687 19.635 1116 HA ILE 141 HA ILE 141 23.111 13.016 17.061 1117 HB ILE 141 HB ILE 141 25.801 12.706 18.279 1118 HG12 ILE 141 HG12 ILE 141 26.530 13.587 16.077 1119 HG13 ILE 141 HG13 ILE 141 24.850 13.605 15.557 1120 HG21 ILE 141 HG21 ILE 141 25.368 10.462 17.560 1121 HG22 ILE 141 HG22 ILE 141 26.530 11.215 16.470 1122 HG23 ILE 141 HG23 ILE 141 24.847 11.035 15.976 1123 HD11 ILE 141 HD11 ILE 141 26.046 15.238 17.779 1124 HD12 ILE 141 HD12 ILE 141 24.347 15.241 17.311 1125 HD13 ILE 141 HD13 ILE 141 25.573 15.820 16.182 1126 H PHE 142 H PHE 142 22.203 11.230 16.598 1127 HA PHE 142 HA PHE 142 22.371 8.955 18.432 1128 HB2 PHE 142 HB2 PHE 142 20.250 9.714 19.010 1129 HB3 PHE 142 HB3 PHE 142 19.912 10.326 17.395 1130 HD1 PHE 142 HD1 PHE 142 20.976 6.919 18.500 1131 HD2 PHE 142 HD2 PHE 142 17.946 9.351 16.766 1132 HE1 PHE 142 HE1 PHE 142 19.657 4.906 17.986 1133 HE2 PHE 142 HE2 PHE 142 16.623 7.340 16.248 1134 HZ PHE 142 HZ PHE 142 17.479 5.115 16.858 1135 H VAL 143 H VAL 143 23.670 7.735 17.238 1136 HA VAL 143 HA VAL 143 22.902 7.210 14.451 1137 HB VAL 143 HB VAL 143 25.534 6.617 15.819 1138 HG11 VAL 143 HG11 VAL 143 26.344 6.069 13.586 1139 HG12 VAL 143 HG12 VAL 143 24.733 6.349 12.928 1140 HG13 VAL 143 HG13 VAL 143 25.007 5.020 14.053 1141 HG21 VAL 143 HG21 VAL 143 24.812 8.741 13.806 1142 HG22 VAL 143 HG22 VAL 143 26.438 8.393 14.396 1143 HG23 VAL 143 HG23 VAL 143 25.209 9.004 15.505 1144 H ALA 144 H ALA 144 21.487 5.597 14.468 1145 HA ALA 144 HA ALA 144 21.868 3.313 16.233 1146 HB1 ALA 144 HB1 ALA 144 19.614 4.230 15.954 1147 HB2 ALA 144 HB2 ALA 144 19.705 2.561 15.396 1148 HB3 ALA 144 HB3 ALA 144 19.684 3.882 14.227 1149 H THR 145 H THR 145 22.606 1.375 15.591 1150 HA THR 145 HA THR 145 23.550 1.197 12.808 1151 HB THR 145 HB THR 145 24.471 -0.507 15.121 1152 HG1 THR 145 HG1 THR 145 24.967 2.142 14.573 1153 HG21 THR 145 HG21 THR 145 26.452 -0.838 13.734 1154 HG22 THR 145 HG22 THR 145 25.791 0.239 12.504 1155 HG23 THR 145 HG23 THR 145 25.001 -1.302 12.844 1156 H GLU 146 H GLU 146 22.975 -0.501 11.515 1157 HA GLU 146 HA GLU 146 20.581 -1.880 12.101 1158 HB2 GLU 146 HB2 GLU 146 21.362 -1.291 9.812 1159 HB3 GLU 146 HB3 GLU 146 22.603 -2.531 9.954 1160 HG2 GLU 146 HG2 GLU 146 20.919 -4.250 10.128 1161 HG3 GLU 146 HG3 GLU 146 19.641 -3.036 10.122 1162 H VAL 147 H VAL 147 20.333 -3.495 13.430 1163 HA VAL 147 HA VAL 147 22.585 -5.308 13.873 1164 HB VAL 147 HB VAL 147 22.344 -4.089 15.804 1165 HG11 VAL 147 HG11 VAL 147 20.214 -3.051 15.344 1166 HG12 VAL 147 HG12 VAL 147 20.233 -3.709 16.980 1167 HG13 VAL 147 HG13 VAL 147 19.389 -4.569 15.693 1168 HG21 VAL 147 HG21 VAL 147 21.583 -5.642 17.532 1169 HG22 VAL 147 HG22 VAL 147 22.572 -6.439 16.306 1170 HG23 VAL 147 HG23 VAL 147 20.817 -6.625 16.282 1171 H LYS 148 H LYS 148 22.174 -7.382 14.421 1172 HA LYS 148 HA LYS 148 19.742 -8.489 13.193 1173 HB2 LYS 148 HB2 LYS 148 21.153 -10.583 12.978 1174 HB3 LYS 148 HB3 LYS 148 21.643 -9.221 11.983 1175 HG2 LYS 148 HG2 LYS 148 23.377 -8.666 13.643 1176 HG3 LYS 148 HG3 LYS 148 22.906 -10.091 14.571 1177 HD2 LYS 148 HD2 LYS 148 23.916 -10.108 11.732 1178 HD3 LYS 148 HD3 LYS 148 24.879 -10.491 13.158 1179 HE2 LYS 148 HE2 LYS 148 23.340 -12.349 13.665 1180 HE3 LYS 148 HE3 LYS 148 22.441 -11.981 12.194 1181 HZ1 LYS 148 HZ1 LYS 148 24.359 -12.504 10.879 1182 HZ2 LYS 148 HZ2 LYS 148 24.047 -13.806 11.928 1183 HZ3 LYS 148 HZ3 LYS 148 25.310 -12.727 12.268 1184 H6 2W7 201 H6 2W7 201 17.784 19.416 13.018 1185 H7 2W7 201 H7 2W7 201 17.752 18.564 10.704 1186 H8 2W7 201 H8 2W7 201 19.730 18.856 9.242 1187 H9 2W7 201 H9 2W7 201 21.759 19.985 10.108 1188 H3 2W7 201 H3 2W7 201 22.085 22.738 11.488 1189 H122 2W7 201 H122 2W7 201 23.942 20.941 10.458 1190 H121 2W7 201 H121 2W7 201 24.183 22.692 10.614 1191 H4 2W7 201 H4 2W7 201 24.615 19.529 12.128 1192 HZ12 2W7 201 HZ12 2W7 201 26.311 17.842 12.736 1193 HZ11 2W7 201 HZ11 2W7 201 25.184 18.070 14.088 1194 HY1 2W7 201 HY1 2W7 201 27.189 16.835 14.801 1195 HX22 2W7 201 HX22 2W7 201 29.372 17.963 14.806 1196 HX21 2W7 201 HX21 2W7 201 28.750 17.766 13.149 1197 HY3 2W7 201 HY3 2W7 201 29.648 20.063 13.494 1198 HZ21 2W7 201 HZ21 2W7 201 27.731 19.745 11.969 1199 HZ22 2W7 201 HZ22 2W7 201 27.641 21.313 12.793 1200 HX31 2W7 201 HX31 2W7 201 29.255 20.169 15.922 1201 HX32 2W7 201 HX32 2W7 201 28.529 21.566 15.102 1202 HY2 2W7 201 HY2 2W7 201 26.957 20.615 16.757 1203 HZ32 2W7 201 HZ32 2W7 201 26.059 21.618 14.700 1204 HZ31 2W7 201 HZ31 2W7 201 25.046 20.270 15.244 1205 HX12 2W7 201 HX12 2W7 201 27.814 18.307 16.695 1206 HX11 2W7 201 HX11 2W7 201 26.064 18.342 16.406 Start of MODEL 8 1 HA MET 1 HA MET 1 3.460 -0.908 2.282 2 HB2 MET 1 HB2 MET 1 1.228 0.162 2.468 3 HB3 MET 1 HB3 MET 1 0.685 -0.771 1.079 4 HG2 MET 1 HG2 MET 1 1.138 -2.845 2.342 5 HG3 MET 1 HG3 MET 1 1.564 -1.865 3.743 6 HE1 MET 1 HE1 MET 1 -1.312 -1.425 1.057 7 HE2 MET 1 HE2 MET 1 -2.665 -2.166 1.912 8 HE3 MET 1 HE3 MET 1 -1.293 -3.154 1.406 9 H GLN 2 H GLN 2 1.613 -1.521 -0.726 10 HA GLN 2 HA GLN 2 2.549 -4.276 -0.743 11 HB2 GLN 2 HB2 GLN 2 0.183 -3.608 -1.329 12 HB3 GLN 2 HB3 GLN 2 0.835 -2.853 -2.780 13 HG2 GLN 2 HG2 GLN 2 -0.132 -5.123 -3.126 14 HG3 GLN 2 HG3 GLN 2 1.542 -4.948 -3.654 15 HE21 GLN 2 HE21 GLN 2 -0.600 -6.364 -1.322 16 HE22 GLN 2 HE22 GLN 2 0.540 -7.498 -0.664 17 H ALA 3 H ALA 3 4.739 -2.847 -0.947 18 HA ALA 3 HA ALA 3 5.806 -3.449 -3.498 19 HB1 ALA 3 HB1 ALA 3 4.463 -1.398 -4.013 20 HB2 ALA 3 HB2 ALA 3 6.187 -1.264 -4.382 21 HB3 ALA 3 HB3 ALA 3 5.532 -0.502 -2.931 22 H LYS 4 H LYS 4 8.086 -3.027 -3.603 23 HA LYS 4 HA LYS 4 9.390 -3.283 -1.112 24 HB2 LYS 4 HB2 LYS 4 10.464 -2.769 -3.887 25 HB3 LYS 4 HB3 LYS 4 11.482 -3.084 -2.489 26 HG2 LYS 4 HG2 LYS 4 9.379 -4.970 -3.531 27 HG3 LYS 4 HG3 LYS 4 11.100 -5.070 -3.910 28 HD2 LYS 4 HD2 LYS 4 9.971 -5.170 -1.113 29 HD3 LYS 4 HD3 LYS 4 10.365 -6.597 -2.074 30 HE2 LYS 4 HE2 LYS 4 12.698 -5.787 -2.243 31 HE3 LYS 4 HE3 LYS 4 12.276 -4.438 -1.188 32 HZ1 LYS 4 HZ1 LYS 4 13.325 -6.612 -0.238 33 HZ2 LYS 4 HZ2 LYS 4 11.721 -7.164 -0.260 34 HZ3 LYS 4 HZ3 LYS 4 12.128 -5.780 0.633 35 HA PRO 5 HA PRO 5 10.013 0.874 0.135 36 HB2 PRO 5 HB2 PRO 5 12.482 0.637 1.310 37 HB3 PRO 5 HB3 PRO 5 10.965 0.152 2.075 38 HG2 PRO 5 HG2 PRO 5 13.006 -1.524 0.677 39 HG3 PRO 5 HG3 PRO 5 12.080 -1.874 2.148 40 HD2 PRO 5 HD2 PRO 5 11.431 -2.934 -0.247 41 HD3 PRO 5 HD3 PRO 5 10.202 -2.518 0.963 42 H GLN 6 H GLN 6 10.441 2.446 -1.241 43 HA GLN 6 HA GLN 6 13.146 2.710 -2.316 44 HB2 GLN 6 HB2 GLN 6 11.487 1.636 -4.000 45 HB3 GLN 6 HB3 GLN 6 10.752 3.230 -4.071 46 HG2 GLN 6 HG2 GLN 6 12.240 3.050 -5.902 47 HG3 GLN 6 HG3 GLN 6 12.979 4.143 -4.732 48 HE21 GLN 6 HE21 GLN 6 14.883 3.542 -3.726 49 HE22 GLN 6 HE22 GLN 6 15.795 2.150 -4.191 50 H ILE 7 H ILE 7 13.535 4.980 -3.033 51 HA ILE 7 HA ILE 7 11.955 6.794 -1.357 52 HB ILE 7 HB ILE 7 14.782 7.044 -2.391 53 HG12 ILE 7 HG12 ILE 7 13.617 6.755 0.387 54 HG13 ILE 7 HG13 ILE 7 14.560 5.551 -0.484 55 HG21 ILE 7 HG21 ILE 7 13.199 9.032 -0.766 56 HG22 ILE 7 HG22 ILE 7 13.698 9.228 -2.446 57 HG23 ILE 7 HG23 ILE 7 14.911 9.158 -1.168 58 HD11 ILE 7 HD11 ILE 7 15.566 8.223 0.469 59 HD12 ILE 7 HD12 ILE 7 16.513 7.001 -0.382 60 HD13 ILE 7 HD13 ILE 7 15.876 6.663 1.226 61 HA PRO 8 HA PRO 8 10.656 8.536 -5.309 62 HB2 PRO 8 HB2 PRO 8 8.432 9.714 -4.379 63 HB3 PRO 8 HB3 PRO 8 8.501 7.971 -4.661 64 HG2 PRO 8 HG2 PRO 8 8.705 9.486 -2.099 65 HG3 PRO 8 HG3 PRO 8 7.877 7.954 -2.434 66 HD2 PRO 8 HD2 PRO 8 10.370 8.178 -1.257 67 HD3 PRO 8 HD3 PRO 8 9.770 6.733 -2.090 68 H LYS 9 H LYS 9 9.801 10.950 -5.690 69 HA LYS 9 HA LYS 9 11.729 12.679 -4.403 70 HB2 LYS 9 HB2 LYS 9 11.459 12.634 -6.881 71 HB3 LYS 9 HB3 LYS 9 9.828 13.252 -6.668 72 HG2 LYS 9 HG2 LYS 9 10.670 15.253 -5.668 73 HG3 LYS 9 HG3 LYS 9 12.315 14.631 -5.750 74 HD2 LYS 9 HD2 LYS 9 12.158 14.578 -8.201 75 HD3 LYS 9 HD3 LYS 9 10.528 15.249 -8.098 76 HE2 LYS 9 HE2 LYS 9 13.041 16.579 -7.092 77 HE3 LYS 9 HE3 LYS 9 12.211 16.966 -8.598 78 HZ1 LYS 9 HZ1 LYS 9 11.646 18.504 -6.810 79 HZ2 LYS 9 HZ2 LYS 9 11.029 17.229 -5.887 80 HZ3 LYS 9 HZ3 LYS 9 10.284 17.652 -7.349 81 H ASP 10 H ASP 10 8.427 11.858 -4.318 82 HA ASP 10 HA ASP 10 7.632 14.316 -2.967 83 HB2 ASP 10 HB2 ASP 10 5.389 13.539 -3.115 84 HB3 ASP 10 HB3 ASP 10 6.135 13.143 -4.659 85 H LYS 11 H LYS 11 6.371 14.071 -0.927 86 HA LYS 11 HA LYS 11 7.602 12.017 0.762 87 HB2 LYS 11 HB2 LYS 11 7.150 13.734 2.628 88 HB3 LYS 11 HB3 LYS 11 8.519 13.988 1.564 89 HG2 LYS 11 HG2 LYS 11 5.887 15.308 1.024 90 HG3 LYS 11 HG3 LYS 11 7.030 15.988 2.186 91 HD2 LYS 11 HD2 LYS 11 8.761 15.971 0.398 92 HD3 LYS 11 HD3 LYS 11 7.522 15.442 -0.742 93 HE2 LYS 11 HE2 LYS 11 6.234 17.494 -0.199 94 HE3 LYS 11 HE3 LYS 11 7.584 18.027 0.804 95 HZ1 LYS 11 HZ1 LYS 11 9.004 17.967 -1.160 96 HZ2 LYS 11 HZ2 LYS 11 7.692 19.017 -1.386 97 HZ3 LYS 11 HZ3 LYS 11 7.691 17.487 -2.116 98 H SER 12 H SER 12 4.933 12.263 -0.756 99 HA SER 12 HA SER 12 3.076 12.015 1.469 100 HB2 SER 12 HB2 SER 12 1.363 11.701 -0.331 101 HB3 SER 12 HB3 SER 12 2.236 13.226 -0.443 102 HG SER 12 HG SER 12 3.634 11.536 -1.871 103 H LYS 13 H LYS 13 4.846 10.065 -0.791 104 HA LYS 13 HA LYS 13 3.477 7.620 -0.047 105 HB2 LYS 13 HB2 LYS 13 6.102 7.883 -1.524 106 HB3 LYS 13 HB3 LYS 13 5.022 6.497 -1.505 107 HG2 LYS 13 HG2 LYS 13 4.441 9.173 -2.752 108 HG3 LYS 13 HG3 LYS 13 4.885 7.698 -3.608 109 HD2 LYS 13 HD2 LYS 13 2.431 7.984 -1.880 110 HD3 LYS 13 HD3 LYS 13 2.444 8.210 -3.629 111 HE2 LYS 13 HE2 LYS 13 3.313 5.888 -3.857 112 HE3 LYS 13 HE3 LYS 13 3.108 5.689 -2.117 113 HZ1 LYS 13 HZ1 LYS 13 1.225 4.810 -3.390 114 HZ2 LYS 13 HZ2 LYS 13 0.930 6.356 -4.024 115 HZ3 LYS 13 HZ3 LYS 13 0.752 6.076 -2.363 116 H VAL 14 H VAL 14 3.842 6.737 1.885 117 HA VAL 14 HA VAL 14 6.070 7.460 3.502 118 HB VAL 14 HB VAL 14 4.180 5.145 3.949 119 HG11 VAL 14 HG11 VAL 14 6.212 5.109 5.324 120 HG12 VAL 14 HG12 VAL 14 4.768 5.396 6.295 121 HG13 VAL 14 HG13 VAL 14 5.844 6.737 5.897 122 HG21 VAL 14 HG21 VAL 14 2.879 7.160 3.667 123 HG22 VAL 14 HG22 VAL 14 3.922 8.029 4.792 124 HG23 VAL 14 HG23 VAL 14 2.904 6.712 5.374 125 H ALA 15 H ALA 15 7.983 6.890 2.586 126 HA ALA 15 HA ALA 15 8.465 4.252 1.555 127 HB1 ALA 15 HB1 ALA 15 10.749 5.015 1.211 128 HB2 ALA 15 HB2 ALA 15 10.434 6.455 2.179 129 HB3 ALA 15 HB3 ALA 15 9.607 6.230 0.637 130 H GLY 16 H GLY 16 8.901 5.918 4.573 131 HA2 GLY 16 HA2 GLY 16 9.795 3.431 5.809 132 HA3 GLY 16 HA3 GLY 16 10.849 4.830 5.964 133 H TYR 17 H TYR 17 9.643 3.446 8.114 134 HA TYR 17 HA TYR 17 8.095 5.652 9.287 135 HB2 TYR 17 HB2 TYR 17 6.795 3.402 8.514 136 HB3 TYR 17 HB3 TYR 17 7.349 2.890 10.100 137 HD1 TYR 17 HD1 TYR 17 5.149 5.183 8.283 138 HD2 TYR 17 HD2 TYR 17 6.459 3.899 12.123 139 HE1 TYR 17 HE1 TYR 17 3.236 6.333 9.311 140 HE2 TYR 17 HE2 TYR 17 4.540 5.040 13.161 141 HH TYR 17 HH TYR 17 1.910 6.244 11.331 142 H ILE 18 H ILE 18 9.020 6.256 11.189 143 HA ILE 18 HA ILE 18 11.031 4.452 12.314 144 HB ILE 18 HB ILE 18 11.805 6.706 11.863 145 HG12 ILE 18 HG12 ILE 18 12.648 7.295 14.137 146 HG13 ILE 18 HG13 ILE 18 11.543 6.102 14.813 147 HG21 ILE 18 HG21 ILE 18 10.939 8.638 13.115 148 HG22 ILE 18 HG22 ILE 18 9.663 7.612 13.772 149 HG23 ILE 18 HG23 ILE 18 9.732 7.929 12.038 150 HD11 ILE 18 HD11 ILE 18 13.780 5.201 14.632 151 HD12 ILE 18 HD12 ILE 18 13.802 5.548 12.903 152 HD13 ILE 18 HD13 ILE 18 12.684 4.346 13.546 153 H GLU 19 H GLU 19 10.631 3.286 14.039 154 HA GLU 19 HA GLU 19 8.419 4.071 15.816 155 HB2 GLU 19 HB2 GLU 19 8.997 1.240 14.899 156 HB3 GLU 19 HB3 GLU 19 7.663 1.764 15.917 157 HG2 GLU 19 HG2 GLU 19 6.704 3.007 14.077 158 HG3 GLU 19 HG3 GLU 19 8.073 2.588 13.050 159 H ILE 20 H ILE 20 9.428 4.623 17.603 160 HA ILE 20 HA ILE 20 11.308 2.691 18.798 161 HB ILE 20 HB ILE 20 11.255 5.682 19.281 162 HG12 ILE 20 HG12 ILE 20 13.295 4.023 17.778 163 HG13 ILE 20 HG13 ILE 20 12.104 5.077 17.026 164 HG21 ILE 20 HG21 ILE 20 13.340 5.278 20.519 165 HG22 ILE 20 HG22 ILE 20 13.152 3.543 20.255 166 HG23 ILE 20 HG23 ILE 20 11.974 4.423 21.231 167 HD11 ILE 20 HD11 ILE 20 14.301 5.958 18.881 168 HD12 ILE 20 HD12 ILE 20 13.125 7.009 18.094 169 HD13 ILE 20 HD13 ILE 20 14.297 6.117 17.128 170 HA PRO 21 HA PRO 21 7.560 2.452 21.350 171 HB2 PRO 21 HB2 PRO 21 8.492 0.299 22.800 172 HB3 PRO 21 HB3 PRO 21 7.624 0.178 21.267 173 HG2 PRO 21 HG2 PRO 21 10.563 0.049 21.800 174 HG3 PRO 21 HG3 PRO 21 9.582 -0.906 20.672 175 HD2 PRO 21 HD2 PRO 21 11.113 1.136 19.832 176 HD3 PRO 21 HD3 PRO 21 9.544 0.775 19.084 177 H ASP 22 H ASP 22 10.896 2.401 22.467 178 HA ASP 22 HA ASP 22 10.408 2.857 25.198 179 HB2 ASP 22 HB2 ASP 22 12.810 3.467 23.467 180 HB3 ASP 22 HB3 ASP 22 12.800 3.698 25.212 181 H ALA 23 H ALA 23 10.123 4.959 22.506 182 HA ALA 23 HA ALA 23 10.096 7.285 24.314 183 HB1 ALA 23 HB1 ALA 23 11.134 8.649 22.628 184 HB2 ALA 23 HB2 ALA 23 11.170 7.287 21.505 185 HB3 ALA 23 HB3 ALA 23 12.154 7.249 22.967 186 H ASP 24 H ASP 24 8.021 5.479 22.867 187 HA ASP 24 HA ASP 24 5.920 5.728 22.003 188 HB2 ASP 24 HB2 ASP 24 6.358 8.561 22.963 189 HB3 ASP 24 HB3 ASP 24 4.836 8.005 22.284 190 H ILE 25 H ILE 25 8.303 6.208 20.236 191 HA ILE 25 HA ILE 25 7.372 8.353 18.490 192 HB ILE 25 HB ILE 25 9.959 6.789 18.478 193 HG12 ILE 25 HG12 ILE 25 9.386 9.676 19.195 194 HG13 ILE 25 HG13 ILE 25 9.696 8.385 20.356 195 HG21 ILE 25 HG21 ILE 25 10.719 8.438 16.801 196 HG22 ILE 25 HG22 ILE 25 9.077 9.080 16.725 197 HG23 ILE 25 HG23 ILE 25 9.398 7.423 16.214 198 HD11 ILE 25 HD11 ILE 25 11.670 9.740 20.030 199 HD12 ILE 25 HD12 ILE 25 11.628 9.425 18.294 200 HD13 ILE 25 HD13 ILE 25 11.941 8.106 19.422 201 H LYS 26 H LYS 26 5.916 7.757 17.047 202 HA LYS 26 HA LYS 26 6.741 5.682 15.165 203 HB2 LYS 26 HB2 LYS 26 4.048 5.822 16.507 204 HB3 LYS 26 HB3 LYS 26 4.265 5.035 14.951 205 HG2 LYS 26 HG2 LYS 26 5.851 3.479 15.931 206 HG3 LYS 26 HG3 LYS 26 5.706 4.291 17.489 207 HD2 LYS 26 HD2 LYS 26 3.423 2.969 16.032 208 HD3 LYS 26 HD3 LYS 26 4.366 2.206 17.312 209 HE2 LYS 26 HE2 LYS 26 3.706 4.042 18.833 210 HE3 LYS 26 HE3 LYS 26 2.688 4.697 17.552 211 HZ1 LYS 26 HZ1 LYS 26 2.390 1.975 18.696 212 HZ2 LYS 26 HZ2 LYS 26 1.350 2.733 17.588 213 HZ3 LYS 26 HZ3 LYS 26 1.473 3.319 19.176 214 H GLU 27 H GLU 27 7.374 7.321 13.816 215 HA GLU 27 HA GLU 27 5.212 9.017 12.746 216 HB2 GLU 27 HB2 GLU 27 8.125 9.756 13.107 217 HB3 GLU 27 HB3 GLU 27 6.904 10.768 12.354 218 HG2 GLU 27 HG2 GLU 27 6.902 9.868 15.225 219 HG3 GLU 27 HG3 GLU 27 7.395 11.457 14.643 220 HA PRO 28 HA PRO 28 6.488 7.349 8.783 221 HB2 PRO 28 HB2 PRO 28 5.306 9.222 7.203 222 HB3 PRO 28 HB3 PRO 28 4.410 7.904 7.968 223 HG2 PRO 28 HG2 PRO 28 4.671 10.764 8.809 224 HG3 PRO 28 HG3 PRO 28 3.241 9.716 8.826 225 HD2 PRO 28 HD2 PRO 28 4.702 10.254 11.049 226 HD3 PRO 28 HD3 PRO 28 3.842 8.723 10.813 227 H VAL 29 H VAL 29 8.113 7.778 7.302 228 HA VAL 29 HA VAL 29 9.637 10.227 7.821 229 HB VAL 29 HB VAL 29 10.509 7.710 6.394 230 HG11 VAL 29 HG11 VAL 29 12.765 8.664 6.547 231 HG12 VAL 29 HG12 VAL 29 12.088 10.137 7.242 232 HG13 VAL 29 HG13 VAL 29 11.689 9.680 5.586 233 HG21 VAL 29 HG21 VAL 29 11.874 7.283 8.380 234 HG22 VAL 29 HG22 VAL 29 10.155 7.329 8.778 235 HG23 VAL 29 HG23 VAL 29 11.184 8.711 9.154 236 H TYR 30 H TYR 30 9.753 11.728 6.372 237 HA TYR 30 HA TYR 30 8.239 11.369 3.907 238 HB2 TYR 30 HB2 TYR 30 9.203 13.881 5.292 239 HB3 TYR 30 HB3 TYR 30 8.215 13.842 3.832 240 HD1 TYR 30 HD1 TYR 30 6.312 11.680 4.499 241 HD2 TYR 30 HD2 TYR 30 7.803 14.859 6.897 242 HE1 TYR 30 HE1 TYR 30 4.278 11.587 5.876 243 HE2 TYR 30 HE2 TYR 30 5.773 14.773 8.280 244 HH TYR 30 HH TYR 30 3.525 12.214 8.095 245 HA PRO 31 HA PRO 31 12.269 11.073 1.904 246 HB2 PRO 31 HB2 PRO 31 10.578 10.457 -0.421 247 HB3 PRO 31 HB3 PRO 31 11.854 9.495 0.325 248 HG2 PRO 31 HG2 PRO 31 9.260 8.816 0.532 249 HG3 PRO 31 HG3 PRO 31 10.421 8.518 1.840 250 HD2 PRO 31 HD2 PRO 31 8.381 10.692 1.574 251 HD3 PRO 31 HD3 PRO 31 8.846 9.749 3.012 252 H GLY 32 H GLY 32 13.352 12.526 0.671 253 HA2 GLY 32 HA2 GLY 32 12.879 13.888 -1.494 254 HA3 GLY 32 HA3 GLY 32 11.808 14.765 -0.412 255 HA PRO 33 HA PRO 33 15.684 16.959 0.184 256 HB2 PRO 33 HB2 PRO 33 14.646 19.421 0.152 257 HB3 PRO 33 HB3 PRO 33 14.785 18.466 -1.326 258 HG2 PRO 33 HG2 PRO 33 12.381 19.149 0.251 259 HG3 PRO 33 HG3 PRO 33 12.524 18.746 -1.468 260 HD2 PRO 33 HD2 PRO 33 11.764 17.026 0.709 261 HD3 PRO 33 HD3 PRO 33 11.887 16.622 -1.014 262 H ALA 34 H ALA 34 16.636 18.044 1.921 263 HA ALA 34 HA ALA 34 15.194 17.912 4.434 264 HB1 ALA 34 HB1 ALA 34 18.051 18.682 3.875 265 HB2 ALA 34 HB2 ALA 34 17.483 17.082 4.354 266 HB3 ALA 34 HB3 ALA 34 17.334 18.439 5.468 267 H THR 35 H THR 35 14.325 19.601 5.448 268 HA THR 35 HA THR 35 15.263 22.282 5.060 269 HB THR 35 HB THR 35 13.974 22.363 3.103 270 HG1 THR 35 HG1 THR 35 13.037 24.120 3.806 271 HG21 THR 35 HG21 THR 35 11.735 20.949 4.554 272 HG22 THR 35 HG22 THR 35 12.844 20.199 3.402 273 HG23 THR 35 HG23 THR 35 11.731 21.460 2.864 274 HA PRO 36 HA PRO 36 13.942 22.537 9.247 275 HB2 PRO 36 HB2 PRO 36 13.368 25.385 8.603 276 HB3 PRO 36 HB3 PRO 36 14.386 24.700 9.876 277 HG2 PRO 36 HG2 PRO 36 15.479 25.815 7.725 278 HG3 PRO 36 HG3 PRO 36 16.175 24.350 8.442 279 HD2 PRO 36 HD2 PRO 36 14.504 24.648 5.981 280 HD3 PRO 36 HD3 PRO 36 15.885 23.573 6.285 281 H GLU 37 H GLU 37 11.899 23.918 6.709 282 HA GLU 37 HA GLU 37 9.614 24.296 8.340 283 HB2 GLU 37 HB2 GLU 37 9.893 23.980 5.353 284 HB3 GLU 37 HB3 GLU 37 8.396 24.405 6.161 285 HG2 GLU 37 HG2 GLU 37 9.507 26.421 7.070 286 HG3 GLU 37 HG3 GLU 37 10.935 26.009 6.121 287 H GLN 38 H GLN 38 10.820 21.586 6.462 288 HA GLN 38 HA GLN 38 8.349 20.105 6.773 289 HB2 GLN 38 HB2 GLN 38 9.857 20.031 4.720 290 HB3 GLN 38 HB3 GLN 38 10.961 19.061 5.686 291 HG2 GLN 38 HG2 GLN 38 9.318 17.333 5.936 292 HG3 GLN 38 HG3 GLN 38 8.092 18.330 5.151 293 HE21 GLN 38 HE21 GLN 38 10.881 16.327 4.696 294 HE22 GLN 38 HE22 GLN 38 10.779 16.229 2.969 295 H LEU 39 H LEU 39 11.577 20.186 8.127 296 HA LEU 39 HA LEU 39 11.336 17.767 9.623 297 HB2 LEU 39 HB2 LEU 39 13.194 20.114 10.023 298 HB3 LEU 39 HB3 LEU 39 13.354 18.549 10.797 299 HG LEU 39 HG LEU 39 13.583 19.079 7.831 300 HD11 LEU 39 HD11 LEU 39 15.666 18.384 9.898 301 HD12 LEU 39 HD12 LEU 39 15.487 19.932 9.073 302 HD13 LEU 39 HD13 LEU 39 15.940 18.493 8.159 303 HD21 LEU 39 HD21 LEU 39 12.635 16.881 8.287 304 HD22 LEU 39 HD22 LEU 39 13.954 16.531 9.406 305 HD23 LEU 39 HD23 LEU 39 14.288 16.738 7.686 306 H ASN 40 H ASN 40 10.103 20.896 10.043 307 HA ASN 40 HA ASN 40 10.005 20.864 12.927 308 HB2 ASN 40 HB2 ASN 40 10.197 22.928 11.468 309 HB3 ASN 40 HB3 ASN 40 8.509 22.693 11.048 310 HD21 ASN 40 HD21 ASN 40 7.896 24.642 11.931 311 HD22 ASN 40 HD22 ASN 40 7.860 24.932 13.636 312 H ARG 41 H ARG 41 8.439 19.085 10.767 313 HA ARG 41 HA ARG 41 6.039 18.913 12.428 314 HB2 ARG 41 HB2 ARG 41 4.590 18.741 10.493 315 HB3 ARG 41 HB3 ARG 41 5.444 20.274 10.493 316 HG2 ARG 41 HG2 ARG 41 7.097 19.142 8.912 317 HG3 ARG 41 HG3 ARG 41 5.862 17.895 8.731 318 HD2 ARG 41 HD2 ARG 41 5.555 19.463 6.965 319 HD3 ARG 41 HD3 ARG 41 4.251 19.709 8.128 320 HE ARG 41 HE ARG 41 6.661 21.415 8.106 321 HH11 ARG 41 HH11 ARG 41 3.181 21.035 8.077 322 HH12 ARG 41 HH12 ARG 41 2.860 22.730 8.274 323 HH21 ARG 41 HH21 ARG 41 6.256 23.646 8.366 324 HH22 ARG 41 HH22 ARG 41 4.618 24.222 8.447 325 H GLY 42 H GLY 42 8.001 17.386 9.905 326 HA2 GLY 42 HA2 GLY 42 7.368 14.794 11.134 327 HA3 GLY 42 HA3 GLY 42 7.151 14.998 9.402 328 H VAL 43 H VAL 43 8.785 13.042 10.198 329 HA VAL 43 HA VAL 43 11.530 13.975 10.302 330 HB VAL 43 HB VAL 43 10.531 11.133 10.002 331 HG11 VAL 43 HG11 VAL 43 12.698 10.539 10.989 332 HG12 VAL 43 HG12 VAL 43 13.156 12.243 10.981 333 HG13 VAL 43 HG13 VAL 43 12.875 11.397 9.458 334 HG21 VAL 43 HG21 VAL 43 11.162 12.630 12.546 335 HG22 VAL 43 HG22 VAL 43 10.722 10.926 12.424 336 HG23 VAL 43 HG23 VAL 43 9.550 12.174 11.994 337 H SER 44 H SER 44 12.994 13.868 8.614 338 HA SER 44 HA SER 44 12.067 12.765 6.058 339 HB2 SER 44 HB2 SER 44 13.292 15.526 6.307 340 HB3 SER 44 HB3 SER 44 12.696 14.757 4.833 341 HG SER 44 HG SER 44 10.763 14.740 6.682 342 H PHE 45 H PHE 45 14.010 12.915 4.428 343 HA PHE 45 HA PHE 45 16.311 11.821 5.828 344 HB2 PHE 45 HB2 PHE 45 15.579 11.941 2.902 345 HB3 PHE 45 HB3 PHE 45 17.127 11.327 3.481 346 HD1 PHE 45 HD1 PHE 45 17.035 9.447 5.232 347 HD2 PHE 45 HD2 PHE 45 13.764 10.501 2.723 348 HE1 PHE 45 HE1 PHE 45 16.032 7.239 5.625 349 HE2 PHE 45 HE2 PHE 45 12.750 8.292 3.113 350 HZ PHE 45 HZ PHE 45 13.885 6.661 4.573 351 H ALA 46 H ALA 46 18.404 12.628 5.670 352 HA ALA 46 HA ALA 46 18.471 15.514 5.404 353 HB1 ALA 46 HB1 ALA 46 19.524 14.469 7.344 354 HB2 ALA 46 HB2 ALA 46 20.708 15.353 6.379 355 HB3 ALA 46 HB3 ALA 46 20.627 13.593 6.281 356 H GLU 47 H GLU 47 21.013 13.234 4.469 357 HA GLU 47 HA GLU 47 20.772 13.843 1.686 358 HB2 GLU 47 HB2 GLU 47 22.643 15.376 3.319 359 HB3 GLU 47 HB3 GLU 47 23.413 14.529 1.985 360 HG2 GLU 47 HG2 GLU 47 21.003 16.265 1.578 361 HG3 GLU 47 HG3 GLU 47 22.646 16.906 1.559 362 H GLU 48 H GLU 48 20.532 11.496 2.068 363 HA GLU 48 HA GLU 48 23.084 10.101 2.036 364 HB2 GLU 48 HB2 GLU 48 21.324 8.270 1.091 365 HB3 GLU 48 HB3 GLU 48 21.623 8.532 2.801 366 HG2 GLU 48 HG2 GLU 48 19.230 8.375 2.241 367 HG3 GLU 48 HG3 GLU 48 19.664 9.906 2.996 368 H ASN 49 H ASN 49 21.081 11.897 0.095 369 HA ASN 49 HA ASN 49 20.756 12.253 -2.136 370 HB2 ASN 49 HB2 ASN 49 23.159 13.028 -1.455 371 HB3 ASN 49 HB3 ASN 49 23.680 11.700 -2.487 372 HD21 ASN 49 HD21 ASN 49 21.958 14.734 -2.366 373 HD22 ASN 49 HD22 ASN 49 22.037 15.063 -4.066 374 H GLU 50 H GLU 50 20.177 9.541 -1.506 375 HA GLU 50 HA GLU 50 20.716 8.239 -4.035 376 HB2 GLU 50 HB2 GLU 50 22.477 7.821 -1.863 377 HB3 GLU 50 HB3 GLU 50 21.493 6.370 -1.989 378 HG2 GLU 50 HG2 GLU 50 23.185 7.600 -4.148 379 HG3 GLU 50 HG3 GLU 50 23.495 6.097 -3.280 380 H SER 51 H SER 51 20.282 5.601 -2.897 381 HA SER 51 HA SER 51 17.436 5.776 -2.225 382 HB2 SER 51 HB2 SER 51 19.102 3.474 -3.244 383 HB3 SER 51 HB3 SER 51 17.379 3.390 -2.882 384 HG SER 51 HG SER 51 18.688 4.882 -4.904 385 H LEU 52 H LEU 52 16.607 4.278 -0.620 386 HA LEU 52 HA LEU 52 18.110 4.442 1.777 387 HB2 LEU 52 HB2 LEU 52 16.169 3.043 2.693 388 HB3 LEU 52 HB3 LEU 52 15.826 4.653 2.099 389 HG LEU 52 HG LEU 52 15.057 3.597 -0.058 390 HD11 LEU 52 HD11 LEU 52 14.433 1.236 -0.007 391 HD12 LEU 52 HD12 LEU 52 15.214 1.062 1.565 392 HD13 LEU 52 HD13 LEU 52 16.177 1.449 0.138 393 HD21 LEU 52 HD21 LEU 52 13.491 4.396 1.615 394 HD22 LEU 52 HD22 LEU 52 13.592 2.856 2.470 395 HD23 LEU 52 HD23 LEU 52 12.888 2.924 0.854 396 H ASP 53 H ASP 53 18.584 2.396 -0.696 397 HA ASP 53 HA ASP 53 19.033 0.007 0.910 398 HB2 ASP 53 HB2 ASP 53 19.306 -1.161 -1.089 399 HB3 ASP 53 HB3 ASP 53 18.099 0.040 -1.507 400 H ASP 54 H ASP 54 20.645 2.808 0.198 401 HA ASP 54 HA ASP 54 23.301 1.804 -0.112 402 HB2 ASP 54 HB2 ASP 54 22.456 4.129 -0.766 403 HB3 ASP 54 HB3 ASP 54 22.573 4.536 0.945 404 H GLN 55 H GLN 55 25.030 2.450 1.573 405 HA GLN 55 HA GLN 55 24.227 1.020 3.965 406 HB2 GLN 55 HB2 GLN 55 26.274 0.390 2.731 407 HB3 GLN 55 HB3 GLN 55 26.966 1.965 3.098 408 HG2 GLN 55 HG2 GLN 55 26.919 1.462 5.466 409 HG3 GLN 55 HG3 GLN 55 26.157 -0.094 5.136 410 HE21 GLN 55 HE21 GLN 55 29.078 1.754 4.970 411 HE22 GLN 55 HE22 GLN 55 30.149 0.429 4.660 412 H ASN 56 H ASN 56 25.319 4.259 3.062 413 HA ASN 56 HA ASN 56 25.384 4.993 5.897 414 HB2 ASN 56 HB2 ASN 56 26.236 7.242 4.946 415 HB3 ASN 56 HB3 ASN 56 27.313 5.853 4.938 416 HD21 ASN 56 HD21 ASN 56 25.299 7.926 2.972 417 HD22 ASN 56 HD22 ASN 56 26.024 7.510 1.461 418 H ILE 57 H ILE 57 23.199 4.930 6.304 419 HA ILE 57 HA ILE 57 21.388 6.657 4.867 420 HB ILE 57 HB ILE 57 21.044 4.940 7.325 421 HG12 ILE 57 HG12 ILE 57 21.298 3.685 5.258 422 HG13 ILE 57 HG13 ILE 57 19.640 3.564 5.835 423 HG21 ILE 57 HG21 ILE 57 18.570 5.359 6.943 424 HG22 ILE 57 HG22 ILE 57 19.066 6.745 5.970 425 HG23 ILE 57 HG23 ILE 57 19.499 6.663 7.682 426 HD11 ILE 57 HD11 ILE 57 19.743 3.854 3.417 427 HD12 ILE 57 HD12 ILE 57 20.600 5.380 3.636 428 HD13 ILE 57 HD13 ILE 57 18.937 5.214 4.197 429 H SER 58 H SER 58 20.836 8.691 5.402 430 HA SER 58 HA SER 58 21.461 9.631 8.110 431 HB2 SER 58 HB2 SER 58 21.995 11.880 7.036 432 HB3 SER 58 HB3 SER 58 23.183 10.600 6.791 433 HG SER 58 HG SER 58 22.901 10.900 4.740 434 H ILE 59 H ILE 59 19.565 9.925 9.039 435 HA ILE 59 HA ILE 59 17.362 11.086 7.462 436 HB ILE 59 HB ILE 59 16.960 9.776 10.139 437 HG12 ILE 59 HG12 ILE 59 17.058 8.315 7.490 438 HG13 ILE 59 HG13 ILE 59 18.248 8.161 8.777 439 HG21 ILE 59 HG21 ILE 59 15.127 11.040 9.065 440 HG22 ILE 59 HG22 ILE 59 14.745 9.332 9.278 441 HG23 ILE 59 HG23 ILE 59 15.206 9.938 7.687 442 HD11 ILE 59 HD11 ILE 59 16.729 6.284 8.794 443 HD12 ILE 59 HD12 ILE 59 15.349 7.373 8.928 444 HD13 ILE 59 HD13 ILE 59 16.510 7.258 10.250 445 H ALA 60 H ALA 60 16.228 12.888 8.355 446 HA ALA 60 HA ALA 60 17.775 14.256 10.458 447 HB1 ALA 60 HB1 ALA 60 18.226 15.210 8.253 448 HB2 ALA 60 HB2 ALA 60 17.394 16.359 9.301 449 HB3 ALA 60 HB3 ALA 60 16.503 15.513 8.034 450 H GLY 61 H GLY 61 16.699 15.576 11.879 451 HA2 GLY 61 HA2 GLY 61 13.891 16.128 11.661 452 HA3 GLY 61 HA3 GLY 61 14.255 14.919 12.890 453 H HIS 62 H HIS 62 13.318 16.663 14.319 454 HA HIS 62 HA HIS 62 15.560 18.240 15.341 455 HB2 HIS 62 HB2 HIS 62 14.108 19.640 13.755 456 HB3 HIS 62 HB3 HIS 62 12.855 19.526 14.987 457 HD1 HIS 62 HD1 HIS 62 16.067 21.209 14.195 458 HD2 HIS 62 HD2 HIS 62 13.410 20.954 17.376 459 HE1 HIS 62 HE1 HIS 62 16.711 23.064 15.759 460 H THR 63 H THR 63 15.613 18.341 17.526 461 HA THR 63 HA THR 63 13.543 16.930 19.003 462 HB THR 63 HB THR 63 15.974 18.223 20.224 463 HG1 THR 63 HG1 THR 63 17.229 16.600 19.512 464 HG21 THR 63 HG21 THR 63 14.388 15.734 20.882 465 HG22 THR 63 HG22 THR 63 14.322 17.268 21.748 466 HG23 THR 63 HG23 THR 63 15.799 16.307 21.769 467 H PHE 64 H PHE 64 12.064 17.910 20.335 468 HA PHE 64 HA PHE 64 12.339 20.812 20.733 469 HB2 PHE 64 HB2 PHE 64 10.528 19.652 18.964 470 HB3 PHE 64 HB3 PHE 64 9.569 20.006 20.396 471 HD1 PHE 64 HD1 PHE 64 9.225 22.289 21.129 472 HD2 PHE 64 HD2 PHE 64 11.495 21.407 17.642 473 HE1 PHE 64 HE1 PHE 64 9.052 24.639 20.427 474 HE2 PHE 64 HE2 PHE 64 11.326 23.755 16.933 475 HZ PHE 64 HZ PHE 64 10.101 25.376 18.324 476 H ILE 65 H ILE 65 12.245 21.304 22.789 477 HA ILE 65 HA ILE 65 11.134 19.437 24.711 478 HB ILE 65 HB ILE 65 13.264 20.426 25.254 479 HG12 ILE 65 HG12 ILE 65 11.051 21.560 26.981 480 HG13 ILE 65 HG13 ILE 65 11.795 19.971 27.147 481 HG21 ILE 65 HG21 ILE 65 13.110 22.463 23.950 482 HG22 ILE 65 HG22 ILE 65 13.531 22.839 25.621 483 HG23 ILE 65 HG23 ILE 65 11.884 23.100 25.048 484 HD11 ILE 65 HD11 ILE 65 13.203 22.607 27.523 485 HD12 ILE 65 HD12 ILE 65 13.908 21.006 27.745 486 HD13 ILE 65 HD13 ILE 65 12.619 21.555 28.814 487 H ASP 66 H ASP 66 10.377 22.496 23.265 488 HA ASP 66 HA ASP 66 8.513 23.430 25.181 489 HB2 ASP 66 HB2 ASP 66 9.496 25.017 23.689 490 HB3 ASP 66 HB3 ASP 66 8.948 24.125 22.275 491 H ARG 67 H ARG 67 8.141 21.566 22.203 492 HA ARG 67 HA ARG 67 5.263 21.297 22.756 493 HB2 ARG 67 HB2 ARG 67 6.779 20.641 20.217 494 HB3 ARG 67 HB3 ARG 67 5.033 20.617 20.425 495 HG2 ARG 67 HG2 ARG 67 4.976 23.004 20.688 496 HG3 ARG 67 HG3 ARG 67 6.740 23.085 20.679 497 HD2 ARG 67 HD2 ARG 67 6.738 22.181 18.381 498 HD3 ARG 67 HD3 ARG 67 4.975 22.195 18.399 499 HE ARG 67 HE ARG 67 5.380 24.726 18.891 500 HH11 ARG 67 HH11 ARG 67 7.195 22.685 16.690 501 HH12 ARG 67 HH12 ARG 67 7.630 23.988 15.635 502 HH21 ARG 67 HH21 ARG 67 5.936 26.435 17.497 503 HH22 ARG 67 HH22 ARG 67 6.916 26.131 16.092 504 HA PRO 68 HA PRO 68 6.681 17.197 24.146 505 HB2 PRO 68 HB2 PRO 68 4.251 16.487 25.212 506 HB3 PRO 68 HB3 PRO 68 5.489 17.402 26.077 507 HG2 PRO 68 HG2 PRO 68 3.020 18.367 24.713 508 HG3 PRO 68 HG3 PRO 68 3.759 18.923 26.224 509 HD2 PRO 68 HD2 PRO 68 3.998 20.271 23.880 510 HD3 PRO 68 HD3 PRO 68 5.254 20.292 25.134 511 H ASN 69 H ASN 69 3.656 17.889 22.403 512 HA ASN 69 HA ASN 69 3.618 15.202 21.291 513 HB2 ASN 69 HB2 ASN 69 1.775 17.569 21.036 514 HB3 ASN 69 HB3 ASN 69 1.626 16.176 19.970 515 HD21 ASN 69 HD21 ASN 69 1.204 17.391 23.179 516 HD22 ASN 69 HD22 ASN 69 0.360 16.013 23.809 517 H TYR 70 H TYR 70 5.921 16.219 20.633 518 HA TYR 70 HA TYR 70 5.711 17.217 17.875 519 HB2 TYR 70 HB2 TYR 70 7.147 18.342 19.719 520 HB3 TYR 70 HB3 TYR 70 8.239 16.984 19.503 521 HD1 TYR 70 HD1 TYR 70 6.489 19.563 17.428 522 HD2 TYR 70 HD2 TYR 70 10.016 17.277 18.088 523 HE1 TYR 70 HE1 TYR 70 7.624 20.801 15.630 524 HE2 TYR 70 HE2 TYR 70 11.152 18.497 16.288 525 HH TYR 70 HH TYR 70 9.755 21.309 14.800 526 H GLN 71 H GLN 71 8.120 16.261 16.875 527 HA GLN 71 HA GLN 71 7.428 13.502 16.408 528 HB2 GLN 71 HB2 GLN 71 9.183 13.566 14.707 529 HB3 GLN 71 HB3 GLN 71 8.101 14.941 14.545 530 HG2 GLN 71 HG2 GLN 71 9.757 16.325 15.756 531 HG3 GLN 71 HG3 GLN 71 10.854 14.947 15.756 532 HE21 GLN 71 HE21 GLN 71 8.712 15.802 13.129 533 HE22 GLN 71 HE22 GLN 71 9.958 16.253 12.017 534 H PHE 72 H PHE 72 10.045 15.273 17.986 535 HA PHE 72 HA PHE 72 10.956 12.743 19.161 536 HB2 PHE 72 HB2 PHE 72 12.707 14.946 18.050 537 HB3 PHE 72 HB3 PHE 72 13.304 13.660 19.093 538 HD1 PHE 72 HD1 PHE 72 12.895 11.239 18.279 539 HD2 PHE 72 HD2 PHE 72 12.692 14.662 15.759 540 HE1 PHE 72 HE1 PHE 72 13.256 9.808 16.310 541 HE2 PHE 72 HE2 PHE 72 13.051 13.237 13.786 542 HZ PHE 72 HZ PHE 72 13.335 10.805 14.062 543 H THR 73 H THR 73 10.038 13.056 21.117 544 HA THR 73 HA THR 73 11.028 15.349 22.665 545 HB THR 73 HB THR 73 8.811 15.317 23.889 546 HG1 THR 73 HG1 THR 73 7.081 14.432 22.455 547 HG21 THR 73 HG21 THR 73 8.778 15.993 20.954 548 HG22 THR 73 HG22 THR 73 9.379 17.031 22.249 549 HG23 THR 73 HG23 THR 73 7.665 16.618 22.170 550 H ASN 74 H ASN 74 9.547 12.119 22.902 551 HA ASN 74 HA ASN 74 10.511 11.799 25.611 552 HB2 ASN 74 HB2 ASN 74 8.283 10.905 24.714 553 HB3 ASN 74 HB3 ASN 74 9.228 9.659 23.915 554 HD21 ASN 74 HD21 ASN 74 8.143 8.085 25.168 555 HD22 ASN 74 HD22 ASN 74 8.593 7.810 26.815 556 H LEU 75 H LEU 75 12.297 11.955 23.111 557 HA LEU 75 HA LEU 75 13.500 9.414 22.760 558 HB2 LEU 75 HB2 LEU 75 13.634 11.372 21.184 559 HB3 LEU 75 HB3 LEU 75 14.802 12.085 22.281 560 HG LEU 75 HG LEU 75 16.334 10.220 21.911 561 HD11 LEU 75 HD11 LEU 75 14.245 9.186 19.997 562 HD12 LEU 75 HD12 LEU 75 14.652 8.470 21.556 563 HD13 LEU 75 HD13 LEU 75 15.848 8.501 20.260 564 HD21 LEU 75 HD21 LEU 75 16.485 12.126 20.423 565 HD22 LEU 75 HD22 LEU 75 15.264 11.417 19.366 566 HD23 LEU 75 HD23 LEU 75 16.835 10.637 19.543 567 H LYS 76 H LYS 76 13.681 11.687 25.270 568 HA LYS 76 HA LYS 76 16.256 11.077 26.290 569 HB2 LYS 76 HB2 LYS 76 15.320 11.992 28.442 570 HB3 LYS 76 HB3 LYS 76 15.192 13.069 27.061 571 HG2 LYS 76 HG2 LYS 76 13.115 13.313 27.963 572 HG3 LYS 76 HG3 LYS 76 12.812 11.998 26.835 573 HD2 LYS 76 HD2 LYS 76 13.115 10.387 28.685 574 HD3 LYS 76 HD3 LYS 76 13.317 11.739 29.801 575 HE2 LYS 76 HE2 LYS 76 11.079 12.529 29.284 576 HE3 LYS 76 HE3 LYS 76 10.877 11.235 28.104 577 HZ1 LYS 76 HZ1 LYS 76 10.980 11.051 31.051 578 HZ2 LYS 76 HZ2 LYS 76 11.309 9.698 30.085 579 HZ3 LYS 76 HZ3 LYS 76 9.799 10.456 29.986 580 H ALA 77 H ALA 77 13.217 9.458 26.338 581 HA ALA 77 HA ALA 77 13.953 7.654 28.491 582 HB1 ALA 77 HB1 ALA 77 11.622 8.372 28.250 583 HB2 ALA 77 HB2 ALA 77 11.777 6.622 28.094 584 HB3 ALA 77 HB3 ALA 77 11.557 7.621 26.657 585 H ALA 78 H ALA 78 15.111 7.922 25.548 586 HA ALA 78 HA ALA 78 15.053 5.056 24.937 587 HB1 ALA 78 HB1 ALA 78 16.001 7.355 23.227 588 HB2 ALA 78 HB2 ALA 78 14.431 6.560 23.103 589 HB3 ALA 78 HB3 ALA 78 15.906 5.663 22.736 590 H LYS 79 H LYS 79 16.786 3.832 25.156 591 HA LYS 79 HA LYS 79 19.160 5.126 26.309 592 HB2 LYS 79 HB2 LYS 79 17.944 2.419 26.875 593 HB3 LYS 79 HB3 LYS 79 19.460 2.988 27.553 594 HG2 LYS 79 HG2 LYS 79 17.898 3.362 29.241 595 HG3 LYS 79 HG3 LYS 79 18.116 4.936 28.487 596 HD2 LYS 79 HD2 LYS 79 15.764 4.475 28.985 597 HD3 LYS 79 HD3 LYS 79 16.048 4.674 27.256 598 HE2 LYS 79 HE2 LYS 79 15.998 2.272 26.945 599 HE3 LYS 79 HE3 LYS 79 15.817 2.029 28.683 600 HZ1 LYS 79 HZ1 LYS 79 13.665 2.858 28.659 601 HZ2 LYS 79 HZ2 LYS 79 13.731 1.967 27.215 602 HZ3 LYS 79 HZ3 LYS 79 13.868 3.654 27.178 603 H LYS 80 H LYS 80 21.000 3.251 26.304 604 HA LYS 80 HA LYS 80 21.872 3.241 23.617 605 HB2 LYS 80 HB2 LYS 80 23.891 2.289 24.397 606 HB3 LYS 80 HB3 LYS 80 23.337 3.342 25.688 607 HG2 LYS 80 HG2 LYS 80 22.981 0.351 25.619 608 HG3 LYS 80 HG3 LYS 80 24.242 1.206 26.505 609 HD2 LYS 80 HD2 LYS 80 22.562 2.316 27.865 610 HD3 LYS 80 HD3 LYS 80 21.276 1.541 26.938 611 HE2 LYS 80 HE2 LYS 80 21.551 0.337 28.984 612 HE3 LYS 80 HE3 LYS 80 22.167 -0.661 27.670 613 HZ1 LYS 80 HZ1 LYS 80 24.401 -0.079 28.264 614 HZ2 LYS 80 HZ2 LYS 80 23.606 -0.641 29.650 615 HZ3 LYS 80 HZ3 LYS 80 23.859 1.021 29.434 616 H GLY 81 H GLY 81 19.742 1.208 25.099 617 HA2 GLY 81 HA2 GLY 81 20.259 -0.852 23.068 618 HA3 GLY 81 HA3 GLY 81 19.895 -1.310 24.720 619 H SER 82 H SER 82 18.291 1.463 23.512 620 HA SER 82 HA SER 82 15.756 0.175 23.618 621 HB2 SER 82 HB2 SER 82 16.618 2.954 22.801 622 HB3 SER 82 HB3 SER 82 14.936 2.417 22.754 623 HG SER 82 HG SER 82 15.028 2.034 24.973 624 H MET 83 H MET 83 15.017 -1.029 22.123 625 HA MET 83 HA MET 83 16.297 -1.410 19.644 626 HB2 MET 83 HB2 MET 83 14.673 -2.952 21.102 627 HB3 MET 83 HB3 MET 83 13.489 -2.325 19.961 628 HG2 MET 83 HG2 MET 83 14.355 -4.390 19.125 629 HG3 MET 83 HG3 MET 83 14.939 -3.070 18.108 630 HE1 MET 83 HE1 MET 83 18.335 -4.469 17.710 631 HE2 MET 83 HE2 MET 83 17.166 -3.251 17.195 632 HE3 MET 83 HE3 MET 83 16.724 -4.962 17.187 633 H VAL 84 H VAL 84 16.259 -0.083 18.003 634 HA VAL 84 HA VAL 84 13.950 1.681 17.612 635 HB VAL 84 HB VAL 84 16.709 1.731 16.367 636 HG11 VAL 84 HG11 VAL 84 15.052 2.603 14.798 637 HG12 VAL 84 HG12 VAL 84 16.053 3.913 15.428 638 HG13 VAL 84 HG13 VAL 84 14.419 3.678 16.044 639 HG21 VAL 84 HG21 VAL 84 17.002 3.788 17.688 640 HG22 VAL 84 HG22 VAL 84 16.734 2.375 18.709 641 HG23 VAL 84 HG23 VAL 84 15.423 3.524 18.427 642 H TYR 85 H TYR 85 12.498 1.211 16.103 643 HA TYR 85 HA TYR 85 13.207 -0.832 14.118 644 HB2 TYR 85 HB2 TYR 85 10.499 0.022 15.151 645 HB3 TYR 85 HB3 TYR 85 10.760 -1.182 13.892 646 HD1 TYR 85 HD1 TYR 85 12.521 -3.068 14.618 647 HD2 TYR 85 HD2 TYR 85 10.124 -0.773 17.280 648 HE1 TYR 85 HE1 TYR 85 12.741 -4.827 16.321 649 HE2 TYR 85 HE2 TYR 85 10.338 -2.526 18.992 650 HH TYR 85 HH TYR 85 10.784 -5.049 18.989 651 H PHE 86 H PHE 86 13.394 -0.282 12.085 652 HA PHE 86 HA PHE 86 12.117 2.223 11.201 653 HB2 PHE 86 HB2 PHE 86 14.626 2.225 11.187 654 HB3 PHE 86 HB3 PHE 86 14.572 0.918 10.010 655 HD1 PHE 86 HD1 PHE 86 12.755 4.157 10.392 656 HD2 PHE 86 HD2 PHE 86 15.142 1.651 7.917 657 HE1 PHE 86 HE1 PHE 86 12.609 5.814 8.576 658 HE2 PHE 86 HE2 PHE 86 15.006 3.305 6.104 659 HZ PHE 86 HZ PHE 86 13.737 5.389 6.429 660 H LYS 87 H LYS 87 10.284 1.613 10.296 661 HA LYS 87 HA LYS 87 10.004 -0.847 8.817 662 HB2 LYS 87 HB2 LYS 87 8.197 0.244 10.196 663 HB3 LYS 87 HB3 LYS 87 8.087 1.483 8.957 664 HG2 LYS 87 HG2 LYS 87 7.689 -0.509 7.353 665 HG3 LYS 87 HG3 LYS 87 7.311 -1.399 8.829 666 HD2 LYS 87 HD2 LYS 87 5.916 1.004 7.683 667 HD3 LYS 87 HD3 LYS 87 5.245 -0.584 8.043 668 HE2 LYS 87 HE2 LYS 87 6.207 1.437 10.067 669 HE3 LYS 87 HE3 LYS 87 4.525 1.091 9.672 670 HZ1 LYS 87 HZ1 LYS 87 6.437 -0.876 10.820 671 HZ2 LYS 87 HZ2 LYS 87 4.793 -1.145 10.500 672 HZ3 LYS 87 HZ3 LYS 87 5.257 -0.035 11.701 673 H VAL 88 H VAL 88 9.974 -1.093 6.643 674 HA VAL 88 HA VAL 88 10.099 1.312 4.978 675 HB VAL 88 HB VAL 88 11.830 0.137 3.530 676 HG11 VAL 88 HG11 VAL 88 12.627 1.070 6.279 677 HG12 VAL 88 HG12 VAL 88 12.377 2.086 4.859 678 HG13 VAL 88 HG13 VAL 88 13.710 0.933 4.894 679 HG21 VAL 88 HG21 VAL 88 13.327 -1.435 4.700 680 HG22 VAL 88 HG22 VAL 88 11.703 -2.087 4.485 681 HG23 VAL 88 HG23 VAL 88 12.202 -1.465 6.058 682 H GLY 89 H GLY 89 8.231 1.133 3.954 683 HA2 GLY 89 HA2 GLY 89 6.670 0.355 2.454 684 HA3 GLY 89 HA3 GLY 89 7.812 -0.908 2.014 685 H ASN 90 H ASN 90 7.891 -2.816 3.318 686 HA ASN 90 HA ASN 90 5.571 -3.258 5.059 687 HB2 ASN 90 HB2 ASN 90 5.098 -4.144 2.763 688 HB3 ASN 90 HB3 ASN 90 6.490 -5.207 2.929 689 HD21 ASN 90 HD21 ASN 90 4.251 -4.436 5.531 690 HD22 ASN 90 HD22 ASN 90 3.595 -6.026 5.676 691 H GLU 91 H GLU 91 8.845 -3.297 4.707 692 HA GLU 91 HA GLU 91 9.271 -5.697 6.340 693 HB2 GLU 91 HB2 GLU 91 11.256 -4.031 4.775 694 HB3 GLU 91 HB3 GLU 91 11.634 -5.500 5.665 695 HG2 GLU 91 HG2 GLU 91 10.235 -6.800 4.196 696 HG3 GLU 91 HG3 GLU 91 9.719 -5.345 3.351 697 H THR 92 H THR 92 10.759 -5.561 8.138 698 HA THR 92 HA THR 92 10.890 -2.870 9.325 699 HB THR 92 HB THR 92 10.473 -5.466 10.824 700 HG1 THR 92 HG1 THR 92 8.701 -3.529 9.812 701 HG21 THR 92 HG21 THR 92 10.022 -3.994 12.743 702 HG22 THR 92 HG22 THR 92 10.408 -2.590 11.749 703 HG23 THR 92 HG23 THR 92 11.661 -3.771 12.127 704 H ARG 93 H ARG 93 12.889 -2.207 9.770 705 HA ARG 93 HA ARG 93 15.028 -4.222 9.974 706 HB2 ARG 93 HB2 ARG 93 15.336 -1.247 9.551 707 HB3 ARG 93 HB3 ARG 93 16.567 -2.484 9.347 708 HG2 ARG 93 HG2 ARG 93 14.090 -2.215 7.660 709 HG3 ARG 93 HG3 ARG 93 15.693 -1.625 7.217 710 HD2 ARG 93 HD2 ARG 93 15.134 -4.503 7.888 711 HD3 ARG 93 HD3 ARG 93 15.007 -3.862 6.250 712 HE ARG 93 HE ARG 93 17.535 -3.312 7.524 713 HH11 ARG 93 HH11 ARG 93 15.711 -5.679 5.693 714 HH12 ARG 93 HH12 ARG 93 17.115 -6.382 4.957 715 HH21 ARG 93 HH21 ARG 93 19.378 -4.230 6.580 716 HH22 ARG 93 HH22 ARG 93 19.204 -5.548 5.448 717 H LYS 94 H LYS 94 16.275 -4.324 11.840 718 HA LYS 94 HA LYS 94 15.268 -2.712 14.079 719 HB2 LYS 94 HB2 LYS 94 16.988 -5.170 14.339 720 HB3 LYS 94 HB3 LYS 94 16.008 -4.397 15.565 721 HG2 LYS 94 HG2 LYS 94 13.980 -5.091 14.336 722 HG3 LYS 94 HG3 LYS 94 15.014 -5.969 13.205 723 HD2 LYS 94 HD2 LYS 94 14.705 -6.457 16.166 724 HD3 LYS 94 HD3 LYS 94 14.222 -7.527 14.849 725 HE2 LYS 94 HE2 LYS 94 16.526 -7.883 14.228 726 HE3 LYS 94 HE3 LYS 94 17.069 -6.700 15.415 727 HZ1 LYS 94 HZ1 LYS 94 17.411 -8.864 16.294 728 HZ2 LYS 94 HZ2 LYS 94 15.813 -9.332 15.962 729 HZ3 LYS 94 HZ3 LYS 94 16.123 -8.167 17.156 730 H TYR 95 H TYR 95 16.562 -1.370 15.162 731 HA TYR 95 HA TYR 95 19.455 -1.493 14.657 732 HB2 TYR 95 HB2 TYR 95 17.771 1.023 14.716 733 HB3 TYR 95 HB3 TYR 95 19.523 0.967 14.561 734 HD1 TYR 95 HD1 TYR 95 16.338 0.284 12.862 735 HD2 TYR 95 HD2 TYR 95 20.568 0.408 12.473 736 HE1 TYR 95 HE1 TYR 95 16.116 0.109 10.423 737 HE2 TYR 95 HE2 TYR 95 20.356 0.233 10.030 738 HH TYR 95 HH TYR 95 18.734 -0.602 8.387 739 H LYS 96 H LYS 96 20.759 -0.895 16.374 740 HA LYS 96 HA LYS 96 19.373 -0.539 18.946 741 HB2 LYS 96 HB2 LYS 96 20.831 -2.588 18.617 742 HB3 LYS 96 HB3 LYS 96 22.211 -1.508 18.509 743 HG2 LYS 96 HG2 LYS 96 22.313 -2.074 20.711 744 HG3 LYS 96 HG3 LYS 96 21.281 -0.647 20.821 745 HD2 LYS 96 HD2 LYS 96 20.333 -2.413 22.162 746 HD3 LYS 96 HD3 LYS 96 19.298 -2.127 20.762 747 HE2 LYS 96 HE2 LYS 96 20.221 -4.052 19.636 748 HE3 LYS 96 HE3 LYS 96 21.378 -4.301 20.943 749 HZ1 LYS 96 HZ1 LYS 96 18.428 -4.441 21.280 750 HZ2 LYS 96 HZ2 LYS 96 19.600 -4.838 22.436 751 HZ3 LYS 96 HZ3 LYS 96 19.422 -5.792 21.044 752 H MET 97 H MET 97 19.946 1.198 20.240 753 HA MET 97 HA MET 97 21.137 3.413 18.845 754 HB2 MET 97 HB2 MET 97 20.260 3.298 21.738 755 HB3 MET 97 HB3 MET 97 20.514 4.742 20.768 756 HG2 MET 97 HG2 MET 97 18.642 4.040 19.315 757 HG3 MET 97 HG3 MET 97 18.357 2.678 20.393 758 HE1 MET 97 HE1 MET 97 18.071 6.510 19.832 759 HE2 MET 97 HE2 MET 97 19.255 6.502 21.140 760 HE3 MET 97 HE3 MET 97 17.628 7.118 21.427 761 H THR 98 H THR 98 23.269 2.612 18.553 762 HA THR 98 HA THR 98 24.826 1.809 20.835 763 HB THR 98 HB THR 98 26.662 1.560 19.153 764 HG1 THR 98 HG1 THR 98 25.557 1.656 16.880 765 HG21 THR 98 HG21 THR 98 25.634 -0.335 17.984 766 HG22 THR 98 HG22 THR 98 24.030 0.251 18.429 767 HG23 THR 98 HG23 THR 98 25.145 -0.303 19.678 768 H SER 99 H SER 99 24.774 4.581 18.625 769 HA SER 99 HA SER 99 26.777 5.880 20.354 770 HB2 SER 99 HB2 SER 99 26.153 6.664 17.512 771 HB3 SER 99 HB3 SER 99 27.557 7.111 18.476 772 HG SER 99 HG SER 99 27.007 4.405 17.897 773 H ILE 100 H ILE 100 25.785 7.182 21.739 774 HA ILE 100 HA ILE 100 23.665 8.955 20.727 775 HB ILE 100 HB ILE 100 23.704 7.589 23.427 776 HG12 ILE 100 HG12 ILE 100 21.805 7.280 21.090 777 HG13 ILE 100 HG13 ILE 100 23.042 6.115 21.553 778 HG21 ILE 100 HG21 ILE 100 21.686 9.502 22.259 779 HG22 ILE 100 HG22 ILE 100 22.823 9.867 23.555 780 HG23 ILE 100 HG23 ILE 100 21.552 8.672 23.809 781 HD11 ILE 100 HD11 ILE 100 21.913 5.768 23.685 782 HD12 ILE 100 HD12 ILE 100 20.851 5.425 22.318 783 HD13 ILE 100 HD13 ILE 100 20.673 6.933 23.216 784 H ARG 101 H ARG 101 24.759 10.843 20.611 785 HA ARG 101 HA ARG 101 25.561 12.066 23.114 786 HB2 ARG 101 HB2 ARG 101 27.775 12.756 22.289 787 HB3 ARG 101 HB3 ARG 101 27.653 11.009 22.414 788 HG2 ARG 101 HG2 ARG 101 27.265 10.875 19.995 789 HG3 ARG 101 HG3 ARG 101 27.429 12.628 19.887 790 HD2 ARG 101 HD2 ARG 101 29.507 11.557 19.249 791 HD3 ARG 101 HD3 ARG 101 29.722 12.451 20.755 792 HE ARG 101 HE ARG 101 29.275 10.091 21.777 793 HH11 ARG 101 HH11 ARG 101 31.178 10.848 18.921 794 HH12 ARG 101 HH12 ARG 101 32.164 9.419 19.052 795 HH21 ARG 101 HH21 ARG 101 30.599 8.254 21.974 796 HH22 ARG 101 HH22 ARG 101 31.848 7.951 20.804 797 H ASP 102 H ASP 102 26.256 14.438 22.623 798 HA ASP 102 HA ASP 102 24.949 15.377 20.162 799 HB2 ASP 102 HB2 ASP 102 24.061 17.334 21.300 800 HB3 ASP 102 HB3 ASP 102 23.453 15.868 22.054 801 H VAL 103 H VAL 103 25.879 17.148 19.175 802 HA VAL 103 HA VAL 103 28.698 17.503 19.960 803 HB VAL 103 HB VAL 103 27.596 17.832 17.172 804 HG11 VAL 103 HG11 VAL 103 29.768 18.847 17.603 805 HG12 VAL 103 HG12 VAL 103 29.907 17.485 16.491 806 HG13 VAL 103 HG13 VAL 103 30.385 17.298 18.178 807 HG21 VAL 103 HG21 VAL 103 27.082 15.562 17.948 808 HG22 VAL 103 HG22 VAL 103 28.786 15.323 18.349 809 HG23 VAL 103 HG23 VAL 103 28.302 15.561 16.669 810 H LYS 104 H LYS 104 29.620 19.560 19.781 811 HA LYS 104 HA LYS 104 27.723 21.750 19.249 812 HB2 LYS 104 HB2 LYS 104 28.481 21.411 21.692 813 HB3 LYS 104 HB3 LYS 104 30.048 21.991 21.152 814 HG2 LYS 104 HG2 LYS 104 27.521 23.565 20.757 815 HG3 LYS 104 HG3 LYS 104 28.503 23.687 22.216 816 HD2 LYS 104 HD2 LYS 104 30.381 24.485 20.962 817 HD3 LYS 104 HD3 LYS 104 29.559 24.163 19.433 818 HE2 LYS 104 HE2 LYS 104 29.507 26.539 19.977 819 HE3 LYS 104 HE3 LYS 104 27.883 25.851 19.976 820 HZ1 LYS 104 HZ1 LYS 104 28.041 27.225 21.861 821 HZ2 LYS 104 HZ2 LYS 104 29.545 26.580 22.318 822 HZ3 LYS 104 HZ3 LYS 104 28.142 25.636 22.447 823 HA PRO 105 HA PRO 105 31.149 22.609 16.417 824 HB2 PRO 105 HB2 PRO 105 29.770 22.384 14.133 825 HB3 PRO 105 HB3 PRO 105 30.295 20.950 15.021 826 HG2 PRO 105 HG2 PRO 105 27.587 22.063 14.701 827 HG3 PRO 105 HG3 PRO 105 28.081 20.419 15.138 828 HD2 PRO 105 HD2 PRO 105 27.266 22.599 16.880 829 HD3 PRO 105 HD3 PRO 105 27.592 20.904 17.297 830 H THR 106 H THR 106 30.351 23.985 14.070 831 HA THR 106 HA THR 106 28.683 26.228 14.902 832 HB THR 106 HB THR 106 31.398 26.673 13.633 833 HG1 THR 106 HG1 THR 106 30.680 26.340 16.244 834 HG21 THR 106 HG21 THR 106 29.719 28.366 13.069 835 HG22 THR 106 HG22 THR 106 30.960 29.034 14.128 836 HG23 THR 106 HG23 THR 106 29.381 28.606 14.783 837 H ASP 107 H ASP 107 30.667 24.817 12.332 838 HA ASP 107 HA ASP 107 28.359 24.992 10.530 839 HB2 ASP 107 HB2 ASP 107 30.254 26.818 10.229 840 HB3 ASP 107 HB3 ASP 107 31.115 25.494 9.451 841 H VAL 108 H VAL 108 29.953 23.877 8.330 842 HA VAL 108 HA VAL 108 30.039 21.125 9.298 843 HB VAL 108 HB VAL 108 30.270 20.520 6.885 844 HG11 VAL 108 HG11 VAL 108 28.084 20.577 7.955 845 HG12 VAL 108 HG12 VAL 108 27.971 21.109 6.277 846 HG13 VAL 108 HG13 VAL 108 27.933 22.294 7.583 847 HG21 VAL 108 HG21 VAL 108 31.341 22.629 6.159 848 HG22 VAL 108 HG22 VAL 108 29.810 23.462 6.405 849 HG23 VAL 108 HG23 VAL 108 29.940 22.201 5.180 850 H GLU 109 H GLU 109 31.784 19.849 7.778 851 HA GLU 109 HA GLU 109 33.901 19.281 7.354 852 HB2 GLU 109 HB2 GLU 109 34.509 22.224 7.556 853 HB3 GLU 109 HB3 GLU 109 35.553 20.988 6.872 854 HG2 GLU 109 HG2 GLU 109 32.848 21.771 5.835 855 HG3 GLU 109 HG3 GLU 109 34.396 22.232 5.134 856 H VAL 110 H VAL 110 32.991 20.609 10.245 857 HA VAL 110 HA VAL 110 35.451 20.378 11.657 858 HB VAL 110 HB VAL 110 33.962 20.215 13.704 859 HG11 VAL 110 HG11 VAL 110 33.573 22.550 11.841 860 HG12 VAL 110 HG12 VAL 110 34.914 22.319 12.965 861 HG13 VAL 110 HG13 VAL 110 33.278 22.563 13.579 862 HG21 VAL 110 HG21 VAL 110 31.598 20.810 13.402 863 HG22 VAL 110 HG22 VAL 110 31.986 19.258 12.659 864 HG23 VAL 110 HG23 VAL 110 31.801 20.694 11.652 865 H LEU 111 H LEU 111 33.073 18.125 10.574 866 HA LEU 111 HA LEU 111 34.486 15.983 12.009 867 HB2 LEU 111 HB2 LEU 111 31.618 16.286 11.237 868 HB3 LEU 111 HB3 LEU 111 32.307 14.676 11.259 869 HG LEU 111 HG LEU 111 31.205 15.034 13.343 870 HD11 LEU 111 HD11 LEU 111 33.285 13.805 13.494 871 HD12 LEU 111 HD12 LEU 111 33.051 14.785 14.942 872 HD13 LEU 111 HD13 LEU 111 34.185 15.309 13.698 873 HD21 LEU 111 HD21 LEU 111 31.782 16.866 14.859 874 HD22 LEU 111 HD22 LEU 111 31.122 17.462 13.335 875 HD23 LEU 111 HD23 LEU 111 32.859 17.536 13.634 876 H ASP 112 H ASP 112 35.484 14.478 10.851 877 HA ASP 112 HA ASP 112 35.635 14.885 7.979 878 HB2 ASP 112 HB2 ASP 112 37.239 13.081 9.805 879 HB3 ASP 112 HB3 ASP 112 37.572 13.359 8.099 880 H GLU 113 H GLU 113 34.753 13.579 6.511 881 HA GLU 113 HA GLU 113 33.470 11.114 7.443 882 HB2 GLU 113 HB2 GLU 113 32.015 12.748 6.307 883 HB3 GLU 113 HB3 GLU 113 33.046 12.675 4.885 884 HG2 GLU 113 HG2 GLU 113 30.994 11.356 4.638 885 HG3 GLU 113 HG3 GLU 113 32.453 10.375 4.507 886 H GLN 114 H GLN 114 33.889 9.144 6.478 887 HA GLN 114 HA GLN 114 35.844 8.925 4.365 888 HB2 GLN 114 HB2 GLN 114 37.558 7.786 5.578 889 HB3 GLN 114 HB3 GLN 114 37.237 9.283 6.435 890 HG2 GLN 114 HG2 GLN 114 35.754 6.895 7.349 891 HG3 GLN 114 HG3 GLN 114 37.490 6.905 7.639 892 HE21 GLN 114 HE21 GLN 114 35.585 9.819 7.595 893 HE22 GLN 114 HE22 GLN 114 35.679 10.141 9.292 894 H LYS 115 H LYS 115 36.136 6.680 3.666 895 HA LYS 115 HA LYS 115 33.649 5.270 3.959 896 HB2 LYS 115 HB2 LYS 115 34.583 3.721 2.267 897 HB3 LYS 115 HB3 LYS 115 34.582 5.401 1.765 898 HG2 LYS 115 HG2 LYS 115 36.978 5.543 2.284 899 HG3 LYS 115 HG3 LYS 115 36.966 3.831 2.719 900 HD2 LYS 115 HD2 LYS 115 36.169 3.301 0.434 901 HD3 LYS 115 HD3 LYS 115 36.308 5.010 0.020 902 HE2 LYS 115 HE2 LYS 115 38.720 4.903 0.552 903 HE3 LYS 115 HE3 LYS 115 38.548 3.174 0.858 904 HZ1 LYS 115 HZ1 LYS 115 38.091 4.580 -1.718 905 HZ2 LYS 115 HZ2 LYS 115 37.746 2.944 -1.454 906 HZ3 LYS 115 HZ3 LYS 115 39.345 3.493 -1.361 907 H GLY 116 H GLY 116 33.825 4.844 6.192 908 HA2 GLY 116 HA2 GLY 116 34.827 2.161 6.643 909 HA3 GLY 116 HA3 GLY 116 35.561 3.403 7.653 910 H LYS 117 H LYS 117 32.244 3.102 6.482 911 HA LYS 117 HA LYS 117 31.300 3.399 9.222 912 HB2 LYS 117 HB2 LYS 117 30.686 4.747 6.938 913 HB3 LYS 117 HB3 LYS 117 29.410 3.548 6.971 914 HG2 LYS 117 HG2 LYS 117 28.715 5.598 8.016 915 HG3 LYS 117 HG3 LYS 117 28.769 4.284 9.184 916 HD2 LYS 117 HD2 LYS 117 29.688 6.285 10.184 917 HD3 LYS 117 HD3 LYS 117 30.970 5.096 9.952 918 HE2 LYS 117 HE2 LYS 117 31.791 7.260 9.310 919 HE3 LYS 117 HE3 LYS 117 31.613 6.268 7.864 920 HZ1 LYS 117 HZ1 LYS 117 29.525 7.393 7.397 921 HZ2 LYS 117 HZ2 LYS 117 30.795 8.509 7.503 922 HZ3 LYS 117 HZ3 LYS 117 29.700 8.343 8.782 923 H ASP 118 H ASP 118 28.763 2.505 8.910 924 HA ASP 118 HA ASP 118 28.807 -0.246 7.932 925 HB2 ASP 118 HB2 ASP 118 28.212 0.569 10.782 926 HB3 ASP 118 HB3 ASP 118 27.581 -0.920 10.092 927 H LYS 119 H LYS 119 26.329 -1.073 8.579 928 HA LYS 119 HA LYS 119 24.628 0.821 7.228 929 HB2 LYS 119 HB2 LYS 119 24.094 -1.914 8.389 930 HB3 LYS 119 HB3 LYS 119 22.811 -0.903 7.739 931 HG2 LYS 119 HG2 LYS 119 23.282 -2.172 5.908 932 HG3 LYS 119 HG3 LYS 119 24.389 -0.830 5.635 933 HD2 LYS 119 HD2 LYS 119 25.526 -2.930 5.249 934 HD3 LYS 119 HD3 LYS 119 26.197 -2.135 6.673 935 HE2 LYS 119 HE2 LYS 119 25.884 -4.550 7.016 936 HE3 LYS 119 HE3 LYS 119 24.919 -3.584 8.132 937 HZ1 LYS 119 HZ1 LYS 119 23.801 -4.668 5.611 938 HZ2 LYS 119 HZ2 LYS 119 22.958 -4.074 6.962 939 HZ3 LYS 119 HZ3 LYS 119 23.790 -5.547 7.058 940 H GLN 120 H GLN 120 24.271 2.568 8.418 941 HA GLN 120 HA GLN 120 23.056 2.211 11.067 942 HB2 GLN 120 HB2 GLN 120 24.438 3.928 12.017 943 HB3 GLN 120 HB3 GLN 120 25.508 2.763 11.246 944 HG2 GLN 120 HG2 GLN 120 25.694 4.243 9.297 945 HG3 GLN 120 HG3 GLN 120 24.659 5.418 10.103 946 HE21 GLN 120 HE21 GLN 120 26.105 7.050 10.218 947 HE22 GLN 120 HE22 GLN 120 27.546 6.987 11.174 948 H LEU 121 H LEU 121 21.479 3.726 11.569 949 HA LEU 121 HA LEU 121 20.785 5.596 9.428 950 HB2 LEU 121 HB2 LEU 121 19.244 5.268 11.986 951 HB3 LEU 121 HB3 LEU 121 18.695 5.907 10.447 952 HG LEU 121 HG LEU 121 19.307 3.006 11.010 953 HD11 LEU 121 HD11 LEU 121 16.677 4.434 10.633 954 HD12 LEU 121 HD12 LEU 121 17.306 3.824 12.163 955 HD13 LEU 121 HD13 LEU 121 16.897 2.699 10.867 956 HD21 LEU 121 HD21 LEU 121 18.311 2.598 8.821 957 HD22 LEU 121 HD22 LEU 121 19.737 3.627 8.683 958 HD23 LEU 121 HD23 LEU 121 18.126 4.336 8.574 959 H THR 122 H THR 122 22.132 7.285 9.564 960 HA THR 122 HA THR 122 22.972 8.399 12.071 961 HB THR 122 HB THR 122 23.217 9.714 9.361 962 HG1 THR 122 HG1 THR 122 24.077 7.683 9.067 963 HG21 THR 122 HG21 THR 122 23.861 11.089 11.266 964 HG22 THR 122 HG22 THR 122 25.288 10.626 10.337 965 HG23 THR 122 HG23 THR 122 24.919 9.807 11.854 966 H LEU 123 H LEU 123 21.108 9.015 13.159 967 HA LEU 123 HA LEU 123 19.177 10.706 11.837 968 HB2 LEU 123 HB2 LEU 123 19.301 9.195 14.360 969 HB3 LEU 123 HB3 LEU 123 18.391 10.693 14.432 970 HG LEU 123 HG LEU 123 17.876 8.519 12.399 971 HD11 LEU 123 HD11 LEU 123 15.907 7.965 13.741 972 HD12 LEU 123 HD12 LEU 123 16.433 9.107 14.979 973 HD13 LEU 123 HD13 LEU 123 17.402 7.676 14.630 974 HD21 LEU 123 HD21 LEU 123 17.177 10.754 11.713 975 HD22 LEU 123 HD22 LEU 123 16.284 10.945 13.223 976 HD23 LEU 123 HD23 LEU 123 15.782 9.729 12.048 977 H ILE 124 H ILE 124 19.485 12.728 11.604 978 HA ILE 124 HA ILE 124 21.147 14.257 13.444 979 HB ILE 124 HB ILE 124 19.804 15.063 10.853 980 HG12 ILE 124 HG12 ILE 124 22.709 14.434 11.443 981 HG13 ILE 124 HG13 ILE 124 21.595 13.371 10.588 982 HG21 ILE 124 HG21 ILE 124 21.845 16.541 12.505 983 HG22 ILE 124 HG22 ILE 124 20.140 16.961 12.355 984 HG23 ILE 124 HG23 ILE 124 21.199 17.056 10.947 985 HD11 ILE 124 HD11 ILE 124 23.042 14.539 9.038 986 HD12 ILE 124 HD12 ILE 124 22.497 16.092 9.672 987 HD13 ILE 124 HD13 ILE 124 21.365 15.040 8.820 988 H THR 125 H THR 125 19.896 14.462 15.272 989 HA THR 125 HA THR 125 17.371 15.936 14.945 990 HB THR 125 HB THR 125 16.810 15.045 17.244 991 HG1 THR 125 HG1 THR 125 18.989 14.427 17.776 992 HG21 THR 125 HG21 THR 125 15.845 14.079 15.205 993 HG22 THR 125 HG22 THR 125 16.112 12.849 16.440 994 HG23 THR 125 HG23 THR 125 17.221 12.983 15.074 995 H CYS 126 H CYS 126 18.452 17.966 14.920 996 HA CYS 126 HA CYS 126 20.181 18.669 17.104 997 HB2 CYS 126 HB2 CYS 126 20.200 20.917 16.072 998 HB3 CYS 126 HB3 CYS 126 20.593 19.646 14.921 999 H ASP 127 H ASP 127 19.697 19.723 18.929 1000 HA ASP 127 HA ASP 127 16.899 20.195 19.571 1001 HB2 ASP 127 HB2 ASP 127 19.375 20.545 21.286 1002 HB3 ASP 127 HB3 ASP 127 17.713 20.574 21.853 1003 H ASP 128 H ASP 128 19.942 21.935 19.854 1004 HA ASP 128 HA ASP 128 18.596 24.468 20.271 1005 HB2 ASP 128 HB2 ASP 128 20.437 24.019 21.714 1006 HB3 ASP 128 HB3 ASP 128 21.466 23.547 20.371 1007 H TYR 129 H TYR 129 18.540 26.133 18.872 1008 HA TYR 129 HA TYR 129 20.304 26.326 16.627 1009 HB2 TYR 129 HB2 TYR 129 18.761 26.084 14.849 1010 HB3 TYR 129 HB3 TYR 129 18.440 24.704 15.893 1011 HD1 TYR 129 HD1 TYR 129 16.439 24.826 17.468 1012 HD2 TYR 129 HD2 TYR 129 17.057 27.622 14.321 1013 HE1 TYR 129 HE1 TYR 129 14.068 25.475 17.581 1014 HE2 TYR 129 HE2 TYR 129 14.692 28.280 14.432 1015 HH TYR 129 HH TYR 129 12.588 27.463 15.174 1016 H ASN 130 H ASN 130 20.444 28.446 15.941 1017 HA ASN 130 HA ASN 130 18.700 30.338 17.328 1018 HB2 ASN 130 HB2 ASN 130 21.134 30.785 17.372 1019 HB3 ASN 130 HB3 ASN 130 21.129 30.906 15.613 1020 HD21 ASN 130 HD21 ASN 130 21.872 33.050 15.724 1021 HD22 ASN 130 HD22 ASN 130 20.824 34.351 16.202 1022 H GLU 131 H GLU 131 16.892 30.831 16.385 1023 HA GLU 131 HA GLU 131 16.160 30.132 13.787 1024 HB2 GLU 131 HB2 GLU 131 14.212 31.665 14.176 1025 HB3 GLU 131 HB3 GLU 131 14.476 30.473 15.443 1026 HG2 GLU 131 HG2 GLU 131 15.340 32.073 16.918 1027 HG3 GLU 131 HG3 GLU 131 15.560 33.261 15.636 1028 H LYS 132 H LYS 132 17.695 33.015 14.977 1029 HA LYS 132 HA LYS 132 16.944 34.717 12.833 1030 HB2 LYS 132 HB2 LYS 132 18.010 35.146 15.272 1031 HB3 LYS 132 HB3 LYS 132 19.460 35.276 14.286 1032 HG2 LYS 132 HG2 LYS 132 16.938 36.876 13.936 1033 HG3 LYS 132 HG3 LYS 132 18.444 37.441 14.658 1034 HD2 LYS 132 HD2 LYS 132 19.561 37.459 12.629 1035 HD3 LYS 132 HD3 LYS 132 18.421 36.340 11.880 1036 HE2 LYS 132 HE2 LYS 132 18.247 38.737 11.123 1037 HE3 LYS 132 HE3 LYS 132 16.752 38.012 11.710 1038 HZ1 LYS 132 HZ1 LYS 132 18.518 39.661 13.425 1039 HZ2 LYS 132 HZ2 LYS 132 16.914 39.188 13.729 1040 HZ3 LYS 132 HZ3 LYS 132 17.253 40.321 12.509 1041 H THR 133 H THR 133 20.103 33.272 13.634 1042 HA THR 133 HA THR 133 21.139 34.056 11.062 1043 HB THR 133 HB THR 133 23.246 32.978 11.940 1044 HG1 THR 133 HG1 THR 133 23.098 32.619 14.316 1045 HG21 THR 133 HG21 THR 133 22.882 35.365 12.181 1046 HG22 THR 133 HG22 THR 133 23.619 34.736 13.655 1047 HG23 THR 133 HG23 THR 133 21.891 35.099 13.616 1048 H GLY 134 H GLY 134 20.031 31.128 12.628 1049 HA2 GLY 134 HA2 GLY 134 19.314 29.206 11.466 1050 HA3 GLY 134 HA3 GLY 134 20.247 29.729 10.071 1051 H VAL 135 H VAL 135 21.871 29.922 13.064 1052 HA VAL 135 HA VAL 135 23.485 27.597 12.321 1053 HB VAL 135 HB VAL 135 24.607 29.810 12.672 1054 HG11 VAL 135 HG11 VAL 135 23.878 29.308 15.546 1055 HG12 VAL 135 HG12 VAL 135 23.283 30.620 14.529 1056 HG13 VAL 135 HG13 VAL 135 24.988 30.553 14.975 1057 HG21 VAL 135 HG21 VAL 135 25.480 27.598 14.521 1058 HG22 VAL 135 HG22 VAL 135 26.492 28.912 13.927 1059 HG23 VAL 135 HG23 VAL 135 25.854 27.713 12.802 1060 H TRP 136 H TRP 136 24.111 26.081 13.921 1061 HA TRP 136 HA TRP 136 22.297 25.931 16.229 1062 HB2 TRP 136 HB2 TRP 136 22.485 23.394 15.903 1063 HB3 TRP 136 HB3 TRP 136 21.489 24.270 14.748 1064 HD1 TRP 136 HD1 TRP 136 24.904 22.507 15.002 1065 HE1 TRP 136 HE1 TRP 136 25.679 21.903 12.624 1066 HE3 TRP 136 HE3 TRP 136 21.218 24.827 12.334 1067 HZ2 TRP 136 HZ2 TRP 136 24.832 22.342 9.959 1068 HZ3 TRP 136 HZ3 TRP 136 21.265 24.684 9.878 1069 HH2 TRP 136 HH2 TRP 136 23.035 23.468 8.716 1070 H GLU 137 H GLU 137 23.238 25.544 18.168 1071 HA GLU 137 HA GLU 137 26.137 25.112 18.172 1072 HB2 GLU 137 HB2 GLU 137 24.229 25.972 20.351 1073 HB3 GLU 137 HB3 GLU 137 25.936 25.660 20.620 1074 HG2 GLU 137 HG2 GLU 137 26.446 27.434 18.942 1075 HG3 GLU 137 HG3 GLU 137 24.723 27.808 18.904 1076 H LYS 138 H LYS 138 23.214 23.898 19.785 1077 HA LYS 138 HA LYS 138 24.749 21.531 20.626 1078 HB2 LYS 138 HB2 LYS 138 22.036 22.309 21.674 1079 HB3 LYS 138 HB3 LYS 138 23.258 21.300 22.436 1080 HG2 LYS 138 HG2 LYS 138 24.588 23.147 23.008 1081 HG3 LYS 138 HG3 LYS 138 23.718 24.217 21.906 1082 HD2 LYS 138 HD2 LYS 138 21.672 23.804 23.338 1083 HD3 LYS 138 HD3 LYS 138 22.759 23.053 24.510 1084 HE2 LYS 138 HE2 LYS 138 22.328 25.395 25.062 1085 HE3 LYS 138 HE3 LYS 138 24.026 25.125 24.682 1086 HZ1 LYS 138 HZ1 LYS 138 23.062 27.163 23.673 1087 HZ2 LYS 138 HZ2 LYS 138 22.048 26.186 22.726 1088 HZ3 LYS 138 HZ3 LYS 138 23.729 26.096 22.545 1089 H ARG 139 H ARG 139 24.579 20.129 18.922 1090 HA ARG 139 HA ARG 139 21.841 19.488 18.071 1091 HB2 ARG 139 HB2 ARG 139 22.949 18.811 15.854 1092 HB3 ARG 139 HB3 ARG 139 22.742 20.521 16.194 1093 HG2 ARG 139 HG2 ARG 139 24.873 20.579 15.450 1094 HG3 ARG 139 HG3 ARG 139 25.208 20.229 17.147 1095 HD2 ARG 139 HD2 ARG 139 26.512 18.785 15.684 1096 HD3 ARG 139 HD3 ARG 139 25.353 17.849 16.628 1097 HE ARG 139 HE ARG 139 24.992 18.557 13.780 1098 HH11 ARG 139 HH11 ARG 139 24.459 16.422 16.502 1099 HH12 ARG 139 HH12 ARG 139 23.637 15.223 15.555 1100 HH21 ARG 139 HH21 ARG 139 23.948 17.024 12.543 1101 HH22 ARG 139 HH22 ARG 139 23.345 15.563 13.280 1102 H LYS 140 H LYS 140 21.187 17.567 18.595 1103 HA LYS 140 HA LYS 140 22.968 15.636 19.755 1104 HB2 LYS 140 HB2 LYS 140 20.378 16.320 20.167 1105 HB3 LYS 140 HB3 LYS 140 20.150 14.930 19.122 1106 HG2 LYS 140 HG2 LYS 140 21.777 14.856 21.643 1107 HG3 LYS 140 HG3 LYS 140 20.058 14.487 21.578 1108 HD2 LYS 140 HD2 LYS 140 20.521 12.643 20.012 1109 HD3 LYS 140 HD3 LYS 140 22.246 13.022 20.092 1110 HE2 LYS 140 HE2 LYS 140 20.468 12.059 22.321 1111 HE3 LYS 140 HE3 LYS 140 21.837 11.220 21.596 1112 HZ1 LYS 140 HZ1 LYS 140 22.429 12.196 23.733 1113 HZ2 LYS 140 HZ2 LYS 140 21.990 13.736 23.179 1114 HZ3 LYS 140 HZ3 LYS 140 23.304 12.929 22.481 1115 H ILE 141 H ILE 141 23.999 14.060 18.660 1116 HA ILE 141 HA ILE 141 22.894 13.205 16.116 1117 HB ILE 141 HB ILE 141 25.101 13.964 15.872 1118 HG12 ILE 141 HG12 ILE 141 26.358 11.850 15.393 1119 HG13 ILE 141 HG13 ILE 141 24.976 10.982 16.037 1120 HG21 ILE 141 HG21 ILE 141 25.819 14.015 18.177 1121 HG22 ILE 141 HG22 ILE 141 26.995 13.127 17.206 1122 HG23 ILE 141 HG23 ILE 141 25.855 12.252 18.230 1123 HD11 ILE 141 HD11 ILE 141 24.925 12.878 13.699 1124 HD12 ILE 141 HD12 ILE 141 23.547 11.988 14.349 1125 HD13 ILE 141 HD13 ILE 141 24.888 11.114 13.604 1126 H PHE 142 H PHE 142 21.876 11.362 16.084 1127 HA PHE 142 HA PHE 142 22.582 9.328 18.083 1128 HB2 PHE 142 HB2 PHE 142 20.436 9.900 18.779 1129 HB3 PHE 142 HB3 PHE 142 19.884 10.249 17.141 1130 HD1 PHE 142 HD1 PHE 142 21.416 7.277 18.778 1131 HD2 PHE 142 HD2 PHE 142 18.165 8.892 16.578 1132 HE1 PHE 142 HE1 PHE 142 20.418 5.031 18.610 1133 HE2 PHE 142 HE2 PHE 142 17.149 6.656 16.413 1134 HZ PHE 142 HZ PHE 142 18.280 4.721 17.425 1135 H VAL 143 H VAL 143 23.554 7.686 17.181 1136 HA VAL 143 HA VAL 143 22.873 6.991 14.402 1137 HB VAL 143 HB VAL 143 25.438 6.480 15.914 1138 HG11 VAL 143 HG11 VAL 143 24.975 4.638 14.424 1139 HG12 VAL 143 HG12 VAL 143 26.293 5.616 13.779 1140 HG13 VAL 143 HG13 VAL 143 24.673 5.758 13.095 1141 HG21 VAL 143 HG21 VAL 143 25.217 8.799 15.237 1142 HG22 VAL 143 HG22 VAL 143 24.836 8.301 13.589 1143 HG23 VAL 143 HG23 VAL 143 26.439 7.992 14.256 1144 H ALA 144 H ALA 144 21.655 5.265 14.239 1145 HA ALA 144 HA ALA 144 21.829 3.170 16.295 1146 HB1 ALA 144 HB1 ALA 144 19.631 2.467 15.568 1147 HB2 ALA 144 HB2 ALA 144 19.651 3.656 14.266 1148 HB3 ALA 144 HB3 ALA 144 19.615 4.188 15.948 1149 H THR 145 H THR 145 22.899 1.398 15.790 1150 HA THR 145 HA THR 145 23.712 0.923 13.042 1151 HB THR 145 HB THR 145 24.408 -0.780 15.434 1152 HG1 THR 145 HG1 THR 145 26.300 1.061 14.716 1153 HG21 THR 145 HG21 THR 145 25.863 -0.206 12.847 1154 HG22 THR 145 HG22 THR 145 24.974 -1.682 13.219 1155 HG23 THR 145 HG23 THR 145 26.425 -1.269 14.134 1156 H GLU 146 H GLU 146 23.086 -0.777 11.767 1157 HA GLU 146 HA GLU 146 20.605 -2.038 12.327 1158 HB2 GLU 146 HB2 GLU 146 21.380 -1.498 10.041 1159 HB3 GLU 146 HB3 GLU 146 22.626 -2.730 10.191 1160 HG2 GLU 146 HG2 GLU 146 20.973 -4.465 10.342 1161 HG3 GLU 146 HG3 GLU 146 19.673 -3.277 10.387 1162 H VAL 147 H VAL 147 20.339 -3.560 13.725 1163 HA VAL 147 HA VAL 147 22.323 -5.701 13.940 1164 HB VAL 147 HB VAL 147 22.465 -4.449 15.906 1165 HG11 VAL 147 HG11 VAL 147 19.488 -4.632 16.136 1166 HG12 VAL 147 HG12 VAL 147 20.412 -3.189 15.727 1167 HG13 VAL 147 HG13 VAL 147 20.559 -3.908 17.333 1168 HG21 VAL 147 HG21 VAL 147 21.774 -5.986 17.663 1169 HG22 VAL 147 HG22 VAL 147 22.476 -6.848 16.292 1170 HG23 VAL 147 HG23 VAL 147 20.726 -6.817 16.512 1171 H LYS 148 H LYS 148 21.547 -7.740 14.436 1172 HA LYS 148 HA LYS 148 18.775 -8.179 13.538 1173 HB2 LYS 148 HB2 LYS 148 19.686 -10.289 12.488 1174 HB3 LYS 148 HB3 LYS 148 20.209 -8.783 11.743 1175 HG2 LYS 148 HG2 LYS 148 22.279 -8.974 13.223 1176 HG3 LYS 148 HG3 LYS 148 21.768 -10.641 13.501 1177 HD2 LYS 148 HD2 LYS 148 21.736 -10.957 11.025 1178 HD3 LYS 148 HD3 LYS 148 22.442 -9.348 10.867 1179 HE2 LYS 148 HE2 LYS 148 24.192 -11.004 10.738 1180 HE3 LYS 148 HE3 LYS 148 24.357 -10.091 12.238 1181 HZ1 LYS 148 HZ1 LYS 148 23.072 -12.757 12.009 1182 HZ2 LYS 148 HZ2 LYS 148 23.353 -11.902 13.443 1183 HZ3 LYS 148 HZ3 LYS 148 24.657 -12.497 12.539 1184 H6 2W7 201 H6 2W7 201 17.692 22.521 11.057 1185 H7 2W7 201 H7 2W7 201 17.322 21.423 8.870 1186 H8 2W7 201 H8 2W7 201 18.749 19.521 8.177 1187 H9 2W7 201 H9 2W7 201 20.534 18.701 9.677 1188 H3 2W7 201 H3 2W7 201 23.035 20.703 11.945 1189 H122 2W7 201 H122 2W7 201 22.327 18.521 10.057 1190 H121 2W7 201 H121 2W7 201 23.203 19.985 9.580 1191 H4 2W7 201 H4 2W7 201 25.007 18.811 8.861 1192 HZ12 2W7 201 HZ12 2W7 201 27.461 18.828 8.340 1193 HZ11 2W7 201 HZ11 2W7 201 26.753 17.250 7.955 1194 HY1 2W7 201 HY1 2W7 201 29.212 17.131 7.994 1195 HX22 2W7 201 HX22 2W7 201 30.415 17.478 10.108 1196 HX21 2W7 201 HX21 2W7 201 29.589 18.967 9.584 1197 HY3 2W7 201 HY3 2W7 201 29.222 18.553 12.011 1198 HZ21 2W7 201 HZ21 2W7 201 27.455 19.659 10.683 1199 HZ22 2W7 201 HZ22 2W7 201 26.763 18.668 11.983 1200 HX31 2W7 201 HX31 2W7 201 29.432 16.100 11.936 1201 HX32 2W7 201 HX32 2W7 201 27.914 16.585 12.713 1202 HY2 2W7 201 HY2 2W7 201 27.531 14.747 11.102 1203 HZ32 2W7 201 HZ32 2W7 201 25.762 16.431 11.445 1204 HZ31 2W7 201 HZ31 2W7 201 25.767 15.841 9.771 1205 HX12 2W7 201 HX12 2W7 201 29.421 15.263 9.612 1206 HX11 2W7 201 HX11 2W7 201 27.904 15.158 8.697 Start of MODEL 9 1 HA MET 1 HA MET 1 3.296 0.926 -5.353 2 HB2 MET 1 HB2 MET 1 1.032 0.216 -4.996 3 HB3 MET 1 HB3 MET 1 0.966 1.760 -5.836 4 HG2 MET 1 HG2 MET 1 0.455 0.677 -7.912 5 HG3 MET 1 HG3 MET 1 0.694 -0.913 -7.191 6 HE1 MET 1 HE1 MET 1 -2.812 1.926 -6.212 7 HE2 MET 1 HE2 MET 1 -1.516 2.282 -7.355 8 HE3 MET 1 HE3 MET 1 -1.178 2.228 -5.626 9 H GLN 2 H GLN 2 2.540 -1.425 -4.742 10 HA GLN 2 HA GLN 2 2.722 -3.690 -4.958 11 HB2 GLN 2 HB2 GLN 2 1.347 -3.120 -7.081 12 HB3 GLN 2 HB3 GLN 2 2.857 -3.376 -7.945 13 HG2 GLN 2 HG2 GLN 2 2.949 -5.661 -6.937 14 HG3 GLN 2 HG3 GLN 2 1.328 -5.377 -6.301 15 HE21 GLN 2 HE21 GLN 2 3.237 -6.002 -9.110 16 HE22 GLN 2 HE22 GLN 2 1.920 -6.263 -10.209 17 H ALA 3 H ALA 3 5.077 -1.873 -4.936 18 HA ALA 3 HA ALA 3 7.074 -3.788 -5.859 19 HB1 ALA 3 HB1 ALA 3 6.675 -2.247 -7.751 20 HB2 ALA 3 HB2 ALA 3 8.322 -2.157 -7.122 21 HB3 ALA 3 HB3 ALA 3 7.153 -0.897 -6.719 22 H LYS 4 H LYS 4 9.345 -2.927 -5.218 23 HA LYS 4 HA LYS 4 9.295 -2.409 -2.415 24 HB2 LYS 4 HB2 LYS 4 11.575 -2.449 -4.400 25 HB3 LYS 4 HB3 LYS 4 11.791 -2.250 -2.667 26 HG2 LYS 4 HG2 LYS 4 10.527 -4.637 -4.001 27 HG3 LYS 4 HG3 LYS 4 12.183 -4.555 -3.394 28 HD2 LYS 4 HD2 LYS 4 9.753 -4.100 -1.669 29 HD3 LYS 4 HD3 LYS 4 10.525 -5.675 -1.865 30 HE2 LYS 4 HE2 LYS 4 11.985 -3.218 -0.911 31 HE3 LYS 4 HE3 LYS 4 11.210 -4.369 0.178 32 HZ1 LYS 4 HZ1 LYS 4 12.628 -6.115 -0.734 33 HZ2 LYS 4 HZ2 LYS 4 13.551 -4.865 -0.060 34 HZ3 LYS 4 HZ3 LYS 4 13.397 -4.984 -1.743 35 HA PRO 5 HA PRO 5 8.697 1.969 -2.621 36 HB2 PRO 5 HB2 PRO 5 9.576 2.465 -0.043 37 HB3 PRO 5 HB3 PRO 5 7.931 1.984 -0.482 38 HG2 PRO 5 HG2 PRO 5 10.197 0.314 0.525 39 HG3 PRO 5 HG3 PRO 5 8.473 0.232 0.934 40 HD2 PRO 5 HD2 PRO 5 9.584 -1.527 -0.749 41 HD3 PRO 5 HD3 PRO 5 7.940 -0.911 -1.022 42 H GLN 6 H GLN 6 9.881 3.763 -2.957 43 HA GLN 6 HA GLN 6 12.783 3.619 -2.528 44 HB2 GLN 6 HB2 GLN 6 11.354 4.624 -4.999 45 HB3 GLN 6 HB3 GLN 6 13.069 4.846 -4.688 46 HG2 GLN 6 HG2 GLN 6 11.750 2.149 -4.856 47 HG3 GLN 6 HG3 GLN 6 12.485 2.966 -6.233 48 HE21 GLN 6 HE21 GLN 6 13.073 1.389 -3.180 49 HE22 GLN 6 HE22 GLN 6 14.775 1.167 -3.412 50 H ILE 7 H ILE 7 13.765 5.868 -2.739 51 HA ILE 7 HA ILE 7 12.068 7.727 -1.240 52 HB ILE 7 HB ILE 7 15.074 7.648 -1.570 53 HG12 ILE 7 HG12 ILE 7 13.336 7.071 0.841 54 HG13 ILE 7 HG13 ILE 7 14.096 5.843 -0.165 55 HG21 ILE 7 HG21 ILE 7 14.294 9.942 -1.326 56 HG22 ILE 7 HG22 ILE 7 15.129 9.413 0.135 57 HG23 ILE 7 HG23 ILE 7 13.366 9.487 0.103 58 HD11 ILE 7 HD11 ILE 7 16.280 6.610 0.493 59 HD12 ILE 7 HD12 ILE 7 15.305 6.256 1.919 60 HD13 ILE 7 HD13 ILE 7 15.567 7.929 1.423 61 HA PRO 8 HA PRO 8 12.143 9.941 -5.155 62 HB2 PRO 8 HB2 PRO 8 9.654 11.105 -4.687 63 HB3 PRO 8 HB3 PRO 8 9.942 9.584 -5.532 64 HG2 PRO 8 HG2 PRO 8 8.655 9.951 -3.023 65 HG3 PRO 8 HG3 PRO 8 9.055 8.420 -3.815 66 HD2 PRO 8 HD2 PRO 8 10.472 9.854 -1.644 67 HD3 PRO 8 HD3 PRO 8 10.442 8.119 -2.024 68 H LYS 9 H LYS 9 10.061 12.049 -3.361 69 HA LYS 9 HA LYS 9 12.044 13.914 -2.557 70 HB2 LYS 9 HB2 LYS 9 12.292 14.542 -4.760 71 HB3 LYS 9 HB3 LYS 9 10.632 14.158 -5.165 72 HG2 LYS 9 HG2 LYS 9 9.909 16.108 -3.842 73 HG3 LYS 9 HG3 LYS 9 11.605 16.541 -3.627 74 HD2 LYS 9 HD2 LYS 9 10.552 17.794 -5.466 75 HD3 LYS 9 HD3 LYS 9 11.877 16.775 -6.028 76 HE2 LYS 9 HE2 LYS 9 10.003 16.615 -7.552 77 HE3 LYS 9 HE3 LYS 9 10.256 15.075 -6.735 78 HZ1 LYS 9 HZ1 LYS 9 7.924 15.584 -6.826 79 HZ2 LYS 9 HZ2 LYS 9 8.168 17.092 -6.093 80 HZ3 LYS 9 HZ3 LYS 9 8.432 15.670 -5.215 81 H ASP 10 H ASP 10 8.695 13.278 -3.428 82 HA ASP 10 HA ASP 10 7.492 15.512 -2.332 83 HB2 ASP 10 HB2 ASP 10 6.524 12.762 -2.962 84 HB3 ASP 10 HB3 ASP 10 5.470 13.865 -2.076 85 H LYS 11 H LYS 11 7.048 16.204 -0.432 86 HA LYS 11 HA LYS 11 8.236 14.784 1.807 87 HB2 LYS 11 HB2 LYS 11 7.112 17.578 1.783 88 HB3 LYS 11 HB3 LYS 11 8.320 16.913 2.866 89 HG2 LYS 11 HG2 LYS 11 9.933 16.813 1.081 90 HG3 LYS 11 HG3 LYS 11 8.719 17.340 -0.087 91 HD2 LYS 11 HD2 LYS 11 8.504 19.465 1.160 92 HD3 LYS 11 HD3 LYS 11 9.794 18.930 2.240 93 HE2 LYS 11 HE2 LYS 11 11.342 18.825 0.362 94 HE3 LYS 11 HE3 LYS 11 10.052 19.306 -0.745 95 HZ1 LYS 11 HZ1 LYS 11 11.347 21.222 -0.230 96 HZ2 LYS 11 HZ2 LYS 11 11.235 20.929 1.440 97 HZ3 LYS 11 HZ3 LYS 11 9.859 21.385 0.573 98 H SER 12 H SER 12 5.380 14.446 0.564 99 HA SER 12 HA SER 12 3.935 14.582 3.119 100 HB2 SER 12 HB2 SER 12 2.786 14.759 0.326 101 HB3 SER 12 HB3 SER 12 1.906 14.939 1.839 102 HG SER 12 HG SER 12 3.958 16.626 1.862 103 H LYS 13 H LYS 13 5.513 12.473 1.334 104 HA LYS 13 HA LYS 13 3.419 10.404 1.296 105 HB2 LYS 13 HB2 LYS 13 6.122 10.341 -0.057 106 HB3 LYS 13 HB3 LYS 13 4.777 9.238 -0.316 107 HG2 LYS 13 HG2 LYS 13 4.742 12.173 -0.976 108 HG3 LYS 13 HG3 LYS 13 5.062 10.882 -2.131 109 HD2 LYS 13 HD2 LYS 13 2.539 11.067 -0.498 110 HD3 LYS 13 HD3 LYS 13 2.704 11.752 -2.116 111 HE2 LYS 13 HE2 LYS 13 3.210 9.539 -3.008 112 HE3 LYS 13 HE3 LYS 13 3.076 8.847 -1.392 113 HZ1 LYS 13 HZ1 LYS 13 0.856 10.272 -2.753 114 HZ2 LYS 13 HZ2 LYS 13 0.772 9.356 -1.327 115 HZ3 LYS 13 HZ3 LYS 13 1.068 8.590 -2.814 116 H VAL 14 H VAL 14 3.723 8.470 2.365 117 HA VAL 14 HA VAL 14 5.928 8.426 4.287 118 HB VAL 14 HB VAL 14 3.545 6.571 4.140 119 HG11 VAL 14 HG11 VAL 14 4.164 5.951 6.408 120 HG12 VAL 14 HG12 VAL 14 5.547 7.042 6.337 121 HG13 VAL 14 HG13 VAL 14 5.483 5.628 5.283 122 HG21 VAL 14 HG21 VAL 14 3.981 9.032 5.825 123 HG22 VAL 14 HG22 VAL 14 2.702 7.850 6.096 124 HG23 VAL 14 HG23 VAL 14 2.734 8.790 4.600 125 H ALA 15 H ALA 15 7.711 7.650 3.300 126 HA ALA 15 HA ALA 15 7.566 5.356 1.536 127 HB1 ALA 15 HB1 ALA 15 9.170 7.142 1.063 128 HB2 ALA 15 HB2 ALA 15 9.990 5.605 1.340 129 HB3 ALA 15 HB3 ALA 15 9.970 6.835 2.606 130 H GLY 16 H GLY 16 8.321 6.081 4.843 131 HA2 GLY 16 HA2 GLY 16 8.488 3.263 5.471 132 HA3 GLY 16 HA3 GLY 16 9.974 4.167 5.728 133 H TYR 17 H TYR 17 9.218 3.110 7.912 134 HA TYR 17 HA TYR 17 7.783 5.197 9.406 135 HB2 TYR 17 HB2 TYR 17 6.695 2.710 8.850 136 HB3 TYR 17 HB3 TYR 17 7.405 2.480 10.441 137 HD1 TYR 17 HD1 TYR 17 5.323 5.003 8.635 138 HD2 TYR 17 HD2 TYR 17 6.091 2.934 12.267 139 HE1 TYR 17 HE1 TYR 17 3.404 6.141 9.675 140 HE2 TYR 17 HE2 TYR 17 4.177 4.055 13.319 141 HH TYR 17 HH TYR 17 2.894 6.123 13.035 142 H ILE 18 H ILE 18 8.575 5.581 11.462 143 HA ILE 18 HA ILE 18 10.930 3.997 12.235 144 HB ILE 18 HB ILE 18 11.557 6.286 11.608 145 HG12 ILE 18 HG12 ILE 18 12.744 6.888 13.719 146 HG13 ILE 18 HG13 ILE 18 11.785 5.671 14.562 147 HG21 ILE 18 HG21 ILE 18 9.509 7.465 12.127 148 HG22 ILE 18 HG22 ILE 18 10.867 8.200 12.978 149 HG23 ILE 18 HG23 ILE 18 9.741 7.157 13.848 150 HD11 ILE 18 HD11 ILE 18 12.747 3.937 13.139 151 HD12 ILE 18 HD12 ILE 18 13.994 4.831 14.008 152 HD13 ILE 18 HD13 ILE 18 13.705 5.157 12.299 153 H GLU 19 H GLU 19 10.652 2.837 13.994 154 HA GLU 19 HA GLU 19 8.600 3.690 15.920 155 HB2 GLU 19 HB2 GLU 19 9.070 0.864 14.949 156 HB3 GLU 19 HB3 GLU 19 7.922 1.342 16.194 157 HG2 GLU 19 HG2 GLU 19 6.781 2.761 14.489 158 HG3 GLU 19 HG3 GLU 19 7.850 2.062 13.276 159 H ILE 20 H ILE 20 9.559 4.175 17.719 160 HA ILE 20 HA ILE 20 11.549 2.302 18.827 161 HB ILE 20 HB ILE 20 11.374 5.273 19.394 162 HG12 ILE 20 HG12 ILE 20 13.446 3.721 17.825 163 HG13 ILE 20 HG13 ILE 20 12.221 4.769 17.121 164 HG21 ILE 20 HG21 ILE 20 13.469 4.930 20.620 165 HG22 ILE 20 HG22 ILE 20 13.382 3.202 20.282 166 HG23 ILE 20 HG23 ILE 20 12.159 3.963 21.300 167 HD11 ILE 20 HD11 ILE 20 14.392 5.663 18.999 168 HD12 ILE 20 HD12 ILE 20 13.204 6.694 18.202 169 HD13 ILE 20 HD13 ILE 20 14.414 5.838 17.246 170 HA PRO 21 HA PRO 21 7.830 1.795 21.370 171 HB2 PRO 21 HB2 PRO 21 8.885 -0.313 22.803 172 HB3 PRO 21 HB3 PRO 21 8.048 -0.468 21.255 173 HG2 PRO 21 HG2 PRO 21 10.982 -0.403 21.824 174 HG3 PRO 21 HG3 PRO 21 10.084 -1.413 20.676 175 HD2 PRO 21 HD2 PRO 21 11.477 0.739 19.873 176 HD3 PRO 21 HD3 PRO 21 9.938 0.286 19.107 177 H ASP 22 H ASP 22 11.142 2.054 22.476 178 HA ASP 22 HA ASP 22 10.676 2.345 25.232 179 HB2 ASP 22 HB2 ASP 22 12.912 3.364 23.478 180 HB3 ASP 22 HB3 ASP 22 12.923 3.485 25.234 181 H ALA 23 H ALA 23 10.163 4.507 22.621 182 HA ALA 23 HA ALA 23 9.661 6.684 24.542 183 HB1 ALA 23 HB1 ALA 23 11.673 7.129 23.216 184 HB2 ALA 23 HB2 ALA 23 10.384 8.287 22.878 185 HB3 ALA 23 HB3 ALA 23 10.717 6.980 21.740 186 H ASP 24 H ASP 24 8.111 4.521 22.861 187 HA ASP 24 HA ASP 24 6.148 4.299 21.758 188 HB2 ASP 24 HB2 ASP 24 5.634 6.831 23.301 189 HB3 ASP 24 HB3 ASP 24 4.404 6.110 22.268 190 H ILE 25 H ILE 25 8.323 5.562 20.382 191 HA ILE 25 HA ILE 25 7.158 7.610 18.705 192 HB ILE 25 HB ILE 25 9.805 6.157 18.538 193 HG12 ILE 25 HG12 ILE 25 9.125 8.960 19.434 194 HG13 ILE 25 HG13 ILE 25 9.546 7.619 20.493 195 HG21 ILE 25 HG21 ILE 25 8.783 8.475 16.905 196 HG22 ILE 25 HG22 ILE 25 9.227 6.868 16.320 197 HG23 ILE 25 HG23 ILE 25 10.468 7.951 16.955 198 HD11 ILE 25 HD11 ILE 25 11.336 8.927 18.458 199 HD12 ILE 25 HD12 ILE 25 11.768 7.517 19.423 200 HD13 ILE 25 HD13 ILE 25 11.447 9.062 20.213 201 H LYS 26 H LYS 26 5.700 6.991 17.251 202 HA LYS 26 HA LYS 26 6.336 4.706 15.522 203 HB2 LYS 26 HB2 LYS 26 3.582 5.230 16.673 204 HB3 LYS 26 HB3 LYS 26 4.024 3.928 15.577 205 HG2 LYS 26 HG2 LYS 26 5.437 2.939 17.283 206 HG3 LYS 26 HG3 LYS 26 5.073 4.273 18.380 207 HD2 LYS 26 HD2 LYS 26 3.667 2.486 19.028 208 HD3 LYS 26 HD3 LYS 26 2.640 3.624 18.155 209 HE2 LYS 26 HE2 LYS 26 2.112 1.387 17.445 210 HE3 LYS 26 HE3 LYS 26 2.902 2.243 16.122 211 HZ1 LYS 26 HZ1 LYS 26 4.748 0.945 16.251 212 HZ2 LYS 26 HZ2 LYS 26 3.605 -0.176 16.822 213 HZ3 LYS 26 HZ3 LYS 26 4.586 0.666 17.920 214 H GLU 27 H GLU 27 7.061 6.659 14.320 215 HA GLU 27 HA GLU 27 4.801 8.115 13.109 216 HB2 GLU 27 HB2 GLU 27 7.571 9.239 13.508 217 HB3 GLU 27 HB3 GLU 27 6.108 10.105 13.062 218 HG2 GLU 27 HG2 GLU 27 6.743 8.881 15.738 219 HG3 GLU 27 HG3 GLU 27 6.651 10.596 15.343 220 HA PRO 28 HA PRO 28 6.581 6.970 9.174 221 HB2 PRO 28 HB2 PRO 28 5.657 8.931 7.587 222 HB3 PRO 28 HB3 PRO 28 4.581 7.713 8.280 223 HG2 PRO 28 HG2 PRO 28 5.103 10.517 9.195 224 HG3 PRO 28 HG3 PRO 28 3.557 9.660 9.044 225 HD2 PRO 28 HD2 PRO 28 4.878 9.951 11.411 226 HD3 PRO 28 HD3 PRO 28 3.823 8.573 11.050 227 H VAL 29 H VAL 29 8.149 7.609 7.587 228 HA VAL 29 HA VAL 29 9.775 9.940 8.374 229 HB VAL 29 HB VAL 29 10.677 7.469 6.873 230 HG11 VAL 29 HG11 VAL 29 12.249 9.857 7.847 231 HG12 VAL 29 HG12 VAL 29 11.896 9.458 6.165 232 HG13 VAL 29 HG13 VAL 29 12.938 8.404 7.122 233 HG21 VAL 29 HG21 VAL 29 12.010 6.989 8.880 234 HG22 VAL 29 HG22 VAL 29 10.278 6.977 9.216 235 HG23 VAL 29 HG23 VAL 29 11.259 8.363 9.691 236 H TYR 30 H TYR 30 10.122 11.476 6.894 237 HA TYR 30 HA TYR 30 8.595 11.217 4.428 238 HB2 TYR 30 HB2 TYR 30 9.813 13.661 5.737 239 HB3 TYR 30 HB3 TYR 30 8.824 13.676 4.276 240 HD1 TYR 30 HD1 TYR 30 6.586 12.057 4.724 241 HD2 TYR 30 HD2 TYR 30 8.653 14.441 7.578 242 HE1 TYR 30 HE1 TYR 30 4.556 12.146 6.107 243 HE2 TYR 30 HE2 TYR 30 6.631 14.530 8.972 244 HH TYR 30 HH TYR 30 4.241 14.294 8.758 245 HA PRO 31 HA PRO 31 12.456 10.331 2.393 246 HB2 PRO 31 HB2 PRO 31 11.337 9.777 -0.012 247 HB3 PRO 31 HB3 PRO 31 11.326 8.640 1.342 248 HG2 PRO 31 HG2 PRO 31 9.167 10.487 0.403 249 HG3 PRO 31 HG3 PRO 31 9.043 8.796 0.926 250 HD2 PRO 31 HD2 PRO 31 8.406 10.875 2.541 251 HD3 PRO 31 HD3 PRO 31 9.076 9.353 3.167 252 H GLY 32 H GLY 32 13.414 12.307 2.333 253 HA2 GLY 32 HA2 GLY 32 13.696 13.573 -0.125 254 HA3 GLY 32 HA3 GLY 32 12.549 14.520 0.819 255 HA PRO 33 HA PRO 33 16.985 15.525 2.067 256 HB2 PRO 33 HB2 PRO 33 16.661 18.129 0.813 257 HB3 PRO 33 HB3 PRO 33 17.891 16.900 0.508 258 HG2 PRO 33 HG2 PRO 33 15.961 17.549 -1.293 259 HG3 PRO 33 HG3 PRO 33 16.689 15.937 -1.192 260 HD2 PRO 33 HD2 PRO 33 14.063 16.902 -0.118 261 HD3 PRO 33 HD3 PRO 33 14.453 15.368 -0.926 262 H ALA 34 H ALA 34 17.539 16.920 3.752 263 HA ALA 34 HA ALA 34 15.587 17.683 5.553 264 HB1 ALA 34 HB1 ALA 34 17.956 17.370 6.124 265 HB2 ALA 34 HB2 ALA 34 17.325 18.906 6.721 266 HB3 ALA 34 HB3 ALA 34 18.342 18.870 5.281 267 H THR 35 H THR 35 14.009 19.078 5.181 268 HA THR 35 HA THR 35 14.691 21.716 4.112 269 HB THR 35 HB THR 35 12.347 21.465 2.906 270 HG1 THR 35 HG1 THR 35 13.367 18.792 2.983 271 HG21 THR 35 HG21 THR 35 14.406 21.994 1.752 272 HG22 THR 35 HG22 THR 35 13.560 20.723 0.869 273 HG23 THR 35 HG23 THR 35 14.947 20.320 1.885 274 HA PRO 36 HA PRO 36 12.748 23.438 7.544 275 HB2 PRO 36 HB2 PRO 36 11.180 25.388 6.248 276 HB3 PRO 36 HB3 PRO 36 12.829 25.578 6.847 277 HG2 PRO 36 HG2 PRO 36 11.870 24.974 4.092 278 HG3 PRO 36 HG3 PRO 36 13.264 25.938 4.613 279 HD2 PRO 36 HD2 PRO 36 13.591 23.488 3.617 280 HD3 PRO 36 HD3 PRO 36 14.581 24.053 4.981 281 H GLU 37 H GLU 37 10.389 23.096 4.865 282 HA GLU 37 HA GLU 37 8.224 23.073 6.770 283 HB2 GLU 37 HB2 GLU 37 7.127 22.361 4.329 284 HB3 GLU 37 HB3 GLU 37 7.185 23.971 5.025 285 HG2 GLU 37 HG2 GLU 37 8.002 24.179 2.835 286 HG3 GLU 37 HG3 GLU 37 9.417 24.252 3.883 287 H GLN 38 H GLN 38 10.032 20.708 4.947 288 HA GLN 38 HA GLN 38 8.245 18.546 5.524 289 HB2 GLN 38 HB2 GLN 38 9.871 18.446 3.667 290 HB3 GLN 38 HB3 GLN 38 11.188 18.468 4.831 291 HG2 GLN 38 HG2 GLN 38 10.669 16.327 5.629 292 HG3 GLN 38 HG3 GLN 38 9.076 16.344 4.874 293 HE21 GLN 38 HE21 GLN 38 11.914 17.464 3.221 294 HE22 GLN 38 HE22 GLN 38 11.985 16.169 2.085 295 H LEU 39 H LEU 39 11.162 19.870 7.001 296 HA LEU 39 HA LEU 39 11.332 18.064 9.157 297 HB2 LEU 39 HB2 LEU 39 12.143 20.970 8.976 298 HB3 LEU 39 HB3 LEU 39 12.569 19.909 10.303 299 HG LEU 39 HG LEU 39 13.434 19.565 7.431 300 HD11 LEU 39 HD11 LEU 39 14.544 21.440 8.481 301 HD12 LEU 39 HD12 LEU 39 15.670 20.094 8.310 302 HD13 LEU 39 HD13 LEU 39 14.952 20.449 9.880 303 HD21 LEU 39 HD21 LEU 39 14.122 17.981 9.903 304 HD22 LEU 39 HD22 LEU 39 14.890 17.799 8.326 305 HD23 LEU 39 HD23 LEU 39 13.179 17.418 8.522 306 H ASN 40 H ASN 40 9.492 21.004 8.624 307 HA ASN 40 HA ASN 40 8.477 21.382 11.209 308 HB2 ASN 40 HB2 ASN 40 8.268 23.096 9.496 309 HB3 ASN 40 HB3 ASN 40 7.262 22.037 8.516 310 HD21 ASN 40 HD21 ASN 40 5.120 21.785 9.009 311 HD22 ASN 40 HD22 ASN 40 4.302 22.756 10.177 312 H ARG 41 H ARG 41 7.517 19.220 8.630 313 HA ARG 41 HA ARG 41 5.075 18.465 9.995 314 HB2 ARG 41 HB2 ARG 41 6.338 17.570 7.414 315 HB3 ARG 41 HB3 ARG 41 4.887 16.832 8.070 316 HG2 ARG 41 HG2 ARG 41 3.812 19.076 8.054 317 HG3 ARG 41 HG3 ARG 41 5.245 19.699 7.237 318 HD2 ARG 41 HD2 ARG 41 4.867 18.174 5.382 319 HD3 ARG 41 HD3 ARG 41 3.460 17.499 6.206 320 HE ARG 41 HE ARG 41 3.507 20.369 5.607 321 HH11 ARG 41 HH11 ARG 41 2.186 17.188 4.974 322 HH12 ARG 41 HH12 ARG 41 0.795 17.790 4.130 323 HH21 ARG 41 HH21 ARG 41 1.675 21.169 4.506 324 HH22 ARG 41 HH22 ARG 41 0.511 20.056 3.859 325 H GLY 42 H GLY 42 8.316 17.512 10.043 326 HA2 GLY 42 HA2 GLY 42 8.100 15.882 12.210 327 HA3 GLY 42 HA3 GLY 42 7.838 14.796 10.857 328 H VAL 43 H VAL 43 9.546 14.226 9.543 329 HA VAL 43 HA VAL 43 12.170 15.313 10.018 330 HB VAL 43 HB VAL 43 12.067 13.802 11.894 331 HG11 VAL 43 HG11 VAL 43 11.303 11.639 9.940 332 HG12 VAL 43 HG12 VAL 43 10.233 12.372 11.136 333 HG13 VAL 43 HG13 VAL 43 11.621 11.420 11.661 334 HG21 VAL 43 HG21 VAL 43 13.885 12.255 11.349 335 HG22 VAL 43 HG22 VAL 43 14.175 13.885 10.741 336 HG23 VAL 43 HG23 VAL 43 13.642 12.616 9.638 337 H SER 44 H SER 44 13.557 14.906 8.354 338 HA SER 44 HA SER 44 12.601 13.144 6.202 339 HB2 SER 44 HB2 SER 44 13.685 14.814 4.624 340 HB3 SER 44 HB3 SER 44 12.224 15.383 5.430 341 HG SER 44 HG SER 44 14.790 15.882 6.496 342 H PHE 45 H PHE 45 14.517 12.698 4.626 343 HA PHE 45 HA PHE 45 16.762 11.776 6.173 344 HB2 PHE 45 HB2 PHE 45 16.173 11.679 3.210 345 HB3 PHE 45 HB3 PHE 45 17.616 10.981 3.946 346 HD1 PHE 45 HD1 PHE 45 17.288 9.245 5.769 347 HD2 PHE 45 HD2 PHE 45 14.188 10.463 3.120 348 HE1 PHE 45 HE1 PHE 45 16.042 7.192 6.292 349 HE2 PHE 45 HE2 PHE 45 12.937 8.409 3.638 350 HZ PHE 45 HZ PHE 45 13.863 6.779 5.235 351 H ALA 46 H ALA 46 19.022 12.228 5.432 352 HA ALA 46 HA ALA 46 19.382 15.088 5.473 353 HB1 ALA 46 HB1 ALA 46 20.774 13.593 6.842 354 HB2 ALA 46 HB2 ALA 46 21.735 14.605 5.763 355 HB3 ALA 46 HB3 ALA 46 21.461 12.908 5.368 356 H GLU 47 H GLU 47 20.458 12.455 3.328 357 HA GLU 47 HA GLU 47 20.890 14.503 1.254 358 HB2 GLU 47 HB2 GLU 47 22.700 12.698 2.288 359 HB3 GLU 47 HB3 GLU 47 22.158 11.903 0.816 360 HG2 GLU 47 HG2 GLU 47 23.314 14.674 1.014 361 HG3 GLU 47 HG3 GLU 47 24.140 13.238 0.415 362 H GLU 48 H GLU 48 20.322 13.989 -0.892 363 HA GLU 48 HA GLU 48 17.825 12.651 -1.101 364 HB2 GLU 48 HB2 GLU 48 18.327 14.703 -2.316 365 HB3 GLU 48 HB3 GLU 48 19.653 13.907 -3.151 366 HG2 GLU 48 HG2 GLU 48 17.932 12.316 -4.062 367 HG3 GLU 48 HG3 GLU 48 16.720 13.439 -3.454 368 H ASN 49 H ASN 49 21.148 11.943 -2.009 369 HA ASN 49 HA ASN 49 20.315 9.713 -3.687 370 HB2 ASN 49 HB2 ASN 49 22.158 11.370 -4.284 371 HB3 ASN 49 HB3 ASN 49 23.147 10.554 -3.078 372 HD21 ASN 49 HD21 ASN 49 21.425 10.173 -6.099 373 HD22 ASN 49 HD22 ASN 49 22.301 8.789 -6.642 374 H GLU 50 H GLU 50 20.196 9.814 -0.600 375 HA GLU 50 HA GLU 50 21.869 7.548 0.081 376 HB2 GLU 50 HB2 GLU 50 19.765 9.010 1.685 377 HB3 GLU 50 HB3 GLU 50 20.750 7.689 2.303 378 HG2 GLU 50 HG2 GLU 50 22.767 9.082 1.755 379 HG3 GLU 50 HG3 GLU 50 21.662 10.415 1.432 380 H SER 51 H SER 51 21.264 5.730 -0.891 381 HA SER 51 HA SER 51 18.550 5.088 -1.467 382 HB2 SER 51 HB2 SER 51 21.080 3.441 -1.607 383 HB3 SER 51 HB3 SER 51 19.503 2.859 -2.136 384 HG SER 51 HG SER 51 21.133 4.872 -3.239 385 H LEU 52 H LEU 52 17.124 3.944 -0.356 386 HA LEU 52 HA LEU 52 17.585 3.334 2.375 387 HB2 LEU 52 HB2 LEU 52 15.259 2.293 2.190 388 HB3 LEU 52 HB3 LEU 52 15.408 4.012 1.879 389 HG LEU 52 HG LEU 52 15.441 3.434 -0.597 390 HD11 LEU 52 HD11 LEU 52 14.426 1.310 -1.248 391 HD12 LEU 52 HD12 LEU 52 14.430 0.787 0.437 392 HD13 LEU 52 HD13 LEU 52 15.956 1.056 -0.405 393 HD21 LEU 52 HD21 LEU 52 13.510 4.415 0.479 394 HD22 LEU 52 HD22 LEU 52 12.975 2.824 1.017 395 HD23 LEU 52 HD23 LEU 52 13.000 3.208 -0.703 396 H ASP 53 H ASP 53 18.559 1.706 -0.288 397 HA ASP 53 HA ASP 53 18.343 -0.944 0.972 398 HB2 ASP 53 HB2 ASP 53 17.392 -0.760 -1.309 399 HB3 ASP 53 HB3 ASP 53 18.956 -0.227 -1.912 400 H ASP 54 H ASP 54 20.400 1.592 0.764 401 HA ASP 54 HA ASP 54 22.837 0.326 -0.030 402 HB2 ASP 54 HB2 ASP 54 22.579 2.721 -0.313 403 HB3 ASP 54 HB3 ASP 54 22.327 2.936 1.415 404 H GLN 55 H GLN 55 22.501 2.002 3.040 405 HA GLN 55 HA GLN 55 22.643 -0.037 4.879 406 HB2 GLN 55 HB2 GLN 55 25.088 -0.066 5.445 407 HB3 GLN 55 HB3 GLN 55 24.703 -0.845 3.918 408 HG2 GLN 55 HG2 GLN 55 25.439 1.127 2.710 409 HG3 GLN 55 HG3 GLN 55 25.784 1.942 4.232 410 HE21 GLN 55 HE21 GLN 55 26.866 -0.413 5.499 411 HE22 GLN 55 HE22 GLN 55 28.429 -0.655 4.806 412 H ASN 56 H ASN 56 24.030 3.064 3.918 413 HA ASN 56 HA ASN 56 23.849 4.042 6.664 414 HB2 ASN 56 HB2 ASN 56 25.881 4.558 5.343 415 HB3 ASN 56 HB3 ASN 56 24.887 5.435 4.185 416 HD21 ASN 56 HD21 ASN 56 24.009 7.432 4.765 417 HD22 ASN 56 HD22 ASN 56 24.575 8.310 6.144 418 H ILE 57 H ILE 57 22.092 4.991 7.348 419 HA ILE 57 HA ILE 57 20.390 6.416 5.415 420 HB ILE 57 HB ILE 57 19.618 4.578 7.665 421 HG12 ILE 57 HG12 ILE 57 19.894 3.562 5.475 422 HG13 ILE 57 HG13 ILE 57 18.195 3.552 5.930 423 HG21 ILE 57 HG21 ILE 57 18.235 6.388 8.166 424 HG22 ILE 57 HG22 ILE 57 17.230 5.312 7.188 425 HG23 ILE 57 HG23 ILE 57 17.942 6.752 6.461 426 HD11 ILE 57 HD11 ILE 57 17.818 5.505 4.492 427 HD12 ILE 57 HD12 ILE 57 18.439 4.115 3.601 428 HD13 ILE 57 HD13 ILE 57 19.512 5.454 4.009 429 H SER 58 H SER 58 20.981 8.499 5.834 430 HA SER 58 HA SER 58 21.211 9.365 8.608 431 HB2 SER 58 HB2 SER 58 21.575 11.069 6.144 432 HB3 SER 58 HB3 SER 58 22.214 11.349 7.764 433 HG SER 58 HG SER 58 23.059 9.554 5.776 434 H ILE 59 H ILE 59 19.432 10.037 9.640 435 HA ILE 59 HA ILE 59 17.249 11.193 8.031 436 HB ILE 59 HB ILE 59 16.793 10.115 10.794 437 HG12 ILE 59 HG12 ILE 59 16.837 8.435 8.270 438 HG13 ILE 59 HG13 ILE 59 17.999 8.321 9.587 439 HG21 ILE 59 HG21 ILE 59 15.082 10.227 8.305 440 HG22 ILE 59 HG22 ILE 59 15.017 11.357 9.662 441 HG23 ILE 59 HG23 ILE 59 14.560 9.671 9.898 442 HD11 ILE 59 HD11 ILE 59 16.246 7.590 11.094 443 HD12 ILE 59 HD12 ILE 59 16.336 6.542 9.677 444 HD13 ILE 59 HD13 ILE 59 15.055 7.748 9.803 445 H ALA 60 H ALA 60 17.270 13.345 8.198 446 HA ALA 60 HA ALA 60 18.362 14.611 10.591 447 HB1 ALA 60 HB1 ALA 60 19.186 15.356 8.411 448 HB2 ALA 60 HB2 ALA 60 18.369 16.661 9.269 449 HB3 ALA 60 HB3 ALA 60 17.549 15.822 7.950 450 H GLY 61 H GLY 61 17.083 15.385 12.136 451 HA2 GLY 61 HA2 GLY 61 14.202 15.519 11.589 452 HA3 GLY 61 HA3 GLY 61 14.933 15.361 13.178 453 H HIS 62 H HIS 62 13.069 17.161 13.119 454 HA HIS 62 HA HIS 62 14.018 19.746 12.245 455 HB2 HIS 62 HB2 HIS 62 11.632 19.044 12.061 456 HB3 HIS 62 HB3 HIS 62 11.530 19.047 13.814 457 HD1 HIS 62 HD1 HIS 62 9.561 20.797 13.314 458 HD2 HIS 62 HD2 HIS 62 13.428 22.103 12.496 459 HE1 HIS 62 HE1 HIS 62 9.410 23.306 13.152 460 H THR 63 H THR 63 12.437 19.121 15.341 461 HA THR 63 HA THR 63 14.495 19.417 17.125 462 HB THR 63 HB THR 63 14.936 21.606 16.007 463 HG1 THR 63 HG1 THR 63 15.649 21.667 18.059 464 HG21 THR 63 HG21 THR 63 12.237 22.336 17.128 465 HG22 THR 63 HG22 THR 63 12.644 22.173 15.422 466 HG23 THR 63 HG23 THR 63 13.377 23.456 16.384 467 H PHE 64 H PHE 64 13.438 20.935 19.137 468 HA PHE 64 HA PHE 64 11.106 19.397 19.870 469 HB2 PHE 64 HB2 PHE 64 12.895 19.859 21.506 470 HB3 PHE 64 HB3 PHE 64 12.581 21.583 21.363 471 HD1 PHE 64 HD1 PHE 64 11.033 18.371 22.393 472 HD2 PHE 64 HD2 PHE 64 10.983 22.617 22.713 473 HE1 PHE 64 HE1 PHE 64 9.372 18.214 24.203 474 HE2 PHE 64 HE2 PHE 64 9.323 22.466 24.518 475 HZ PHE 64 HZ PHE 64 8.513 20.264 25.266 476 H ILE 65 H ILE 65 9.085 20.266 20.442 477 HA ILE 65 HA ILE 65 8.472 23.037 19.993 478 HB ILE 65 HB ILE 65 8.495 21.978 17.679 479 HG12 ILE 65 HG12 ILE 65 6.371 23.038 16.972 480 HG13 ILE 65 HG13 ILE 65 5.889 23.161 18.661 481 HG21 ILE 65 HG21 ILE 65 7.580 19.820 18.217 482 HG22 ILE 65 HG22 ILE 65 6.529 20.630 17.056 483 HG23 ILE 65 HG23 ILE 65 6.071 20.554 18.757 484 HD11 ILE 65 HD11 ILE 65 7.787 24.631 19.096 485 HD12 ILE 65 HD12 ILE 65 6.739 25.274 17.832 486 HD13 ILE 65 HD13 ILE 65 8.269 24.507 17.403 487 H ASP 66 H ASP 66 5.854 23.165 20.129 488 HA ASP 66 HA ASP 66 5.236 22.003 22.684 489 HB2 ASP 66 HB2 ASP 66 4.597 24.319 22.039 490 HB3 ASP 66 HB3 ASP 66 3.488 23.657 20.845 491 H ARG 67 H ARG 67 5.566 20.069 20.593 492 HA ARG 67 HA ARG 67 2.890 18.850 20.657 493 HB2 ARG 67 HB2 ARG 67 4.816 19.055 18.383 494 HB3 ARG 67 HB3 ARG 67 3.859 17.590 18.531 495 HG2 ARG 67 HG2 ARG 67 2.672 18.974 17.067 496 HG3 ARG 67 HG3 ARG 67 1.822 19.086 18.606 497 HD2 ARG 67 HD2 ARG 67 3.086 21.202 19.049 498 HD3 ARG 67 HD3 ARG 67 3.710 21.102 17.402 499 HE ARG 67 HE ARG 67 0.808 21.140 17.883 500 HH11 ARG 67 HH11 ARG 67 3.661 22.615 16.473 501 HH12 ARG 67 HH12 ARG 67 2.756 23.770 15.550 502 HH21 ARG 67 HH21 ARG 67 -0.368 22.685 16.694 503 HH22 ARG 67 HH22 ARG 67 0.477 23.819 15.674 504 HA PRO 68 HA PRO 68 5.468 15.790 22.831 505 HB2 PRO 68 HB2 PRO 68 3.378 14.558 24.034 506 HB3 PRO 68 HB3 PRO 68 4.097 16.044 24.664 507 HG2 PRO 68 HG2 PRO 68 1.622 15.686 23.020 508 HG3 PRO 68 HG3 PRO 68 1.887 16.727 24.430 509 HD2 PRO 68 HD2 PRO 68 1.942 17.667 21.887 510 HD3 PRO 68 HD3 PRO 68 2.931 18.361 23.188 511 H ASN 69 H ASN 69 3.256 15.687 20.368 512 HA ASN 69 HA ASN 69 3.414 12.777 20.021 513 HB2 ASN 69 HB2 ASN 69 1.608 14.862 18.780 514 HB3 ASN 69 HB3 ASN 69 1.665 13.189 18.241 515 HD21 ASN 69 HD21 ASN 69 0.656 15.365 20.731 516 HD22 ASN 69 HD22 ASN 69 -0.304 14.224 21.623 517 H TYR 70 H TYR 70 5.418 15.008 19.461 518 HA TYR 70 HA TYR 70 5.772 14.893 16.586 519 HB2 TYR 70 HB2 TYR 70 6.325 16.807 18.362 520 HB3 TYR 70 HB3 TYR 70 7.858 15.956 18.433 521 HD1 TYR 70 HD1 TYR 70 5.629 17.978 16.366 522 HD2 TYR 70 HD2 TYR 70 9.402 16.030 16.564 523 HE1 TYR 70 HE1 TYR 70 6.397 19.290 14.437 524 HE2 TYR 70 HE2 TYR 70 10.181 17.334 14.629 525 HH TYR 70 HH TYR 70 9.051 18.544 12.636 526 H GLN 71 H GLN 71 7.663 14.006 15.610 527 HA GLN 71 HA GLN 71 8.050 11.374 16.127 528 HB2 GLN 71 HB2 GLN 71 9.698 13.362 14.624 529 HB3 GLN 71 HB3 GLN 71 10.295 11.720 14.819 530 HG2 GLN 71 HG2 GLN 71 9.210 11.607 12.804 531 HG3 GLN 71 HG3 GLN 71 7.977 11.025 13.916 532 HE21 GLN 71 HE21 GLN 71 7.550 12.064 11.327 533 HE22 GLN 71 HE22 GLN 71 6.584 13.490 11.485 534 H PHE 72 H PHE 72 10.035 13.973 17.535 535 HA PHE 72 HA PHE 72 11.607 11.845 18.835 536 HB2 PHE 72 HB2 PHE 72 12.669 14.498 17.856 537 HB3 PHE 72 HB3 PHE 72 13.604 13.241 18.656 538 HD1 PHE 72 HD1 PHE 72 13.031 10.804 17.405 539 HD2 PHE 72 HD2 PHE 72 13.152 14.674 15.637 540 HE1 PHE 72 HE1 PHE 72 13.511 9.788 15.220 541 HE2 PHE 72 HE2 PHE 72 13.623 13.660 13.445 542 HZ PHE 72 HZ PHE 72 13.808 11.212 13.236 543 H THR 73 H THR 73 9.294 13.685 19.744 544 HA THR 73 HA THR 73 10.425 15.469 21.651 545 HB THR 73 HB THR 73 7.620 14.330 21.626 546 HG1 THR 73 HG1 THR 73 7.304 16.523 20.611 547 HG21 THR 73 HG21 THR 73 8.796 16.787 22.922 548 HG22 THR 73 HG22 THR 73 8.100 15.388 23.739 549 HG23 THR 73 HG23 THR 73 7.071 16.457 22.784 550 H ASN 74 H ASN 74 9.236 12.133 21.865 551 HA ASN 74 HA ASN 74 9.848 12.135 24.733 552 HB2 ASN 74 HB2 ASN 74 7.642 11.235 23.847 553 HB3 ASN 74 HB3 ASN 74 8.559 9.898 23.167 554 HD21 ASN 74 HD21 ASN 74 7.591 8.353 24.425 555 HD22 ASN 74 HD22 ASN 74 7.868 8.217 26.132 556 H LEU 75 H LEU 75 11.644 11.769 22.133 557 HA LEU 75 HA LEU 75 12.732 9.172 22.295 558 HB2 LEU 75 HB2 LEU 75 12.957 10.785 20.370 559 HB3 LEU 75 HB3 LEU 75 14.157 11.646 21.313 560 HG LEU 75 HG LEU 75 14.737 8.789 21.054 561 HD11 LEU 75 HD11 LEU 75 15.424 8.905 18.715 562 HD12 LEU 75 HD12 LEU 75 14.720 10.517 18.582 563 HD13 LEU 75 HD13 LEU 75 13.683 9.122 18.879 564 HD21 LEU 75 HD21 LEU 75 16.946 9.624 20.528 565 HD22 LEU 75 HD22 LEU 75 16.302 10.467 21.939 566 HD23 LEU 75 HD23 LEU 75 16.314 11.263 20.363 567 H LYS 76 H LYS 76 13.026 11.823 24.342 568 HA LYS 76 HA LYS 76 15.579 11.445 25.462 569 HB2 LYS 76 HB2 LYS 76 14.613 12.654 27.420 570 HB3 LYS 76 HB3 LYS 76 14.336 13.464 25.884 571 HG2 LYS 76 HG2 LYS 76 12.059 12.365 25.859 572 HG3 LYS 76 HG3 LYS 76 12.369 11.904 27.535 573 HD2 LYS 76 HD2 LYS 76 12.690 14.268 28.112 574 HD3 LYS 76 HD3 LYS 76 12.346 14.714 26.440 575 HE2 LYS 76 HE2 LYS 76 10.357 15.044 27.733 576 HE3 LYS 76 HE3 LYS 76 10.112 13.652 26.677 577 HZ1 LYS 76 HZ1 LYS 76 10.422 12.175 28.487 578 HZ2 LYS 76 HZ2 LYS 76 9.336 13.364 29.022 579 HZ3 LYS 76 HZ3 LYS 76 10.958 13.416 29.509 580 H ALA 77 H ALA 77 12.620 9.680 25.784 581 HA ALA 77 HA ALA 77 13.305 8.371 28.255 582 HB1 ALA 77 HB1 ALA 77 11.183 7.667 26.231 583 HB2 ALA 77 HB2 ALA 77 10.972 8.745 27.610 584 HB3 ALA 77 HB3 ALA 77 11.311 7.035 27.872 585 H ALA 78 H ALA 78 14.400 8.022 25.125 586 HA ALA 78 HA ALA 78 14.669 5.137 25.171 587 HB1 ALA 78 HB1 ALA 78 15.738 7.139 23.187 588 HB2 ALA 78 HB2 ALA 78 14.191 6.302 23.064 589 HB3 ALA 78 HB3 ALA 78 15.697 5.387 22.988 590 H LYS 79 H LYS 79 16.800 4.112 24.905 591 HA LYS 79 HA LYS 79 18.937 5.631 26.254 592 HB2 LYS 79 HB2 LYS 79 18.633 2.693 26.746 593 HB3 LYS 79 HB3 LYS 79 19.443 3.904 27.726 594 HG2 LYS 79 HG2 LYS 79 17.632 3.568 29.022 595 HG3 LYS 79 HG3 LYS 79 16.957 4.803 27.958 596 HD2 LYS 79 HD2 LYS 79 16.044 3.021 26.517 597 HD3 LYS 79 HD3 LYS 79 16.657 1.818 27.650 598 HE2 LYS 79 HE2 LYS 79 15.249 2.893 29.419 599 HE3 LYS 79 HE3 LYS 79 14.538 3.896 28.155 600 HZ1 LYS 79 HZ1 LYS 79 13.869 1.819 27.014 601 HZ2 LYS 79 HZ2 LYS 79 13.137 2.013 28.530 602 HZ3 LYS 79 HZ3 LYS 79 14.433 0.937 28.348 603 H LYS 80 H LYS 80 20.978 4.033 26.192 604 HA LYS 80 HA LYS 80 21.706 4.004 23.432 605 HB2 LYS 80 HB2 LYS 80 23.889 3.600 24.142 606 HB3 LYS 80 HB3 LYS 80 23.194 4.463 25.504 607 HG2 LYS 80 HG2 LYS 80 23.587 1.482 25.305 608 HG3 LYS 80 HG3 LYS 80 24.566 2.603 26.249 609 HD2 LYS 80 HD2 LYS 80 22.659 3.128 27.655 610 HD3 LYS 80 HD3 LYS 80 21.619 2.095 26.669 611 HE2 LYS 80 HE2 LYS 80 22.193 0.816 28.568 612 HE3 LYS 80 HE3 LYS 80 23.178 0.196 27.245 613 HZ1 LYS 80 HZ1 LYS 80 24.048 2.006 29.426 614 HZ2 LYS 80 HZ2 LYS 80 25.004 1.639 28.076 615 HZ3 LYS 80 HZ3 LYS 80 24.554 0.410 29.158 616 H GLY 81 H GLY 81 19.977 1.831 25.173 617 HA2 GLY 81 HA2 GLY 81 20.962 -0.444 23.571 618 HA3 GLY 81 HA3 GLY 81 20.337 -0.618 25.204 619 H SER 82 H SER 82 18.591 1.680 23.488 620 HA SER 82 HA SER 82 16.272 0.060 23.514 621 HB2 SER 82 HB2 SER 82 16.751 2.856 22.456 622 HB3 SER 82 HB3 SER 82 15.169 2.088 22.600 623 HG SER 82 HG SER 82 15.409 2.023 24.817 624 H MET 83 H MET 83 14.942 -0.281 21.752 625 HA MET 83 HA MET 83 16.443 -1.093 19.384 626 HB2 MET 83 HB2 MET 83 13.781 -1.947 20.498 627 HB3 MET 83 HB3 MET 83 14.294 -2.382 18.873 628 HG2 MET 83 HG2 MET 83 16.281 -2.933 20.929 629 HG3 MET 83 HG3 MET 83 14.778 -3.828 21.131 630 HE1 MET 83 HE1 MET 83 17.851 -3.123 18.754 631 HE2 MET 83 HE2 MET 83 16.465 -2.593 17.802 632 HE3 MET 83 HE3 MET 83 17.378 -4.022 17.309 633 H VAL 84 H VAL 84 16.396 0.053 17.663 634 HA VAL 84 HA VAL 84 14.162 1.900 17.173 635 HB VAL 84 HB VAL 84 16.919 1.824 15.916 636 HG11 VAL 84 HG11 VAL 84 16.327 4.013 14.975 637 HG12 VAL 84 HG12 VAL 84 14.693 3.836 15.616 638 HG13 VAL 84 HG13 VAL 84 15.280 2.728 14.376 639 HG21 VAL 84 HG21 VAL 84 15.753 3.697 17.971 640 HG22 VAL 84 HG22 VAL 84 17.329 3.878 17.200 641 HG23 VAL 84 HG23 VAL 84 17.012 2.493 18.246 642 H TYR 85 H TYR 85 12.639 0.964 15.983 643 HA TYR 85 HA TYR 85 13.381 -1.057 14.022 644 HB2 TYR 85 HB2 TYR 85 10.681 -0.080 14.969 645 HB3 TYR 85 HB3 TYR 85 10.912 -1.331 13.750 646 HD1 TYR 85 HD1 TYR 85 12.821 -3.116 14.651 647 HD2 TYR 85 HD2 TYR 85 10.059 -0.918 17.015 648 HE1 TYR 85 HE1 TYR 85 12.984 -4.824 16.419 649 HE2 TYR 85 HE2 TYR 85 10.214 -2.611 18.792 650 HH TYR 85 HH TYR 85 10.823 -4.984 19.038 651 H PHE 86 H PHE 86 14.046 -0.343 12.146 652 HA PHE 86 HA PHE 86 12.780 2.049 11.025 653 HB2 PHE 86 HB2 PHE 86 15.288 1.931 11.114 654 HB3 PHE 86 HB3 PHE 86 15.211 0.596 9.967 655 HD1 PHE 86 HD1 PHE 86 13.813 4.035 10.328 656 HD2 PHE 86 HD2 PHE 86 15.562 1.128 7.763 657 HE1 PHE 86 HE1 PHE 86 13.753 5.647 8.471 658 HE2 PHE 86 HE2 PHE 86 15.508 2.735 5.900 659 HZ PHE 86 HZ PHE 86 14.598 4.999 6.254 660 H LYS 87 H LYS 87 11.097 1.703 9.845 661 HA LYS 87 HA LYS 87 10.878 -0.846 8.385 662 HB2 LYS 87 HB2 LYS 87 9.213 -0.325 10.204 663 HB3 LYS 87 HB3 LYS 87 8.659 1.019 9.227 664 HG2 LYS 87 HG2 LYS 87 7.680 -0.343 7.659 665 HG3 LYS 87 HG3 LYS 87 8.709 -1.723 8.061 666 HD2 LYS 87 HD2 LYS 87 6.467 -2.122 8.862 667 HD3 LYS 87 HD3 LYS 87 7.556 -1.907 10.232 668 HE2 LYS 87 HE2 LYS 87 6.811 0.508 10.280 669 HE3 LYS 87 HE3 LYS 87 5.555 0.053 9.129 670 HZ1 LYS 87 HZ1 LYS 87 4.935 -1.712 10.825 671 HZ2 LYS 87 HZ2 LYS 87 4.554 -0.111 11.218 672 HZ3 LYS 87 HZ3 LYS 87 5.902 -0.852 11.926 673 H VAL 88 H VAL 88 10.386 -0.848 6.262 674 HA VAL 88 HA VAL 88 9.536 1.592 4.972 675 HB VAL 88 HB VAL 88 11.867 1.968 4.800 676 HG11 VAL 88 HG11 VAL 88 12.682 -0.272 5.299 677 HG12 VAL 88 HG12 VAL 88 13.456 0.379 3.855 678 HG13 VAL 88 HG13 VAL 88 12.170 -0.819 3.703 679 HG21 VAL 88 HG21 VAL 88 10.640 2.483 2.797 680 HG22 VAL 88 HG22 VAL 88 10.849 0.835 2.207 681 HG23 VAL 88 HG23 VAL 88 12.246 1.896 2.374 682 H GLY 89 H GLY 89 7.763 0.860 4.135 683 HA2 GLY 89 HA2 GLY 89 6.275 -0.395 2.919 684 HA3 GLY 89 HA3 GLY 89 7.661 -0.977 2.010 685 H ASN 90 H ASN 90 8.522 -2.955 2.456 686 HA ASN 90 HA ASN 90 6.916 -4.643 4.252 687 HB2 ASN 90 HB2 ASN 90 6.909 -5.195 1.810 688 HB3 ASN 90 HB3 ASN 90 8.641 -5.485 1.907 689 HD21 ASN 90 HD21 ASN 90 6.326 -6.371 4.393 690 HD22 ASN 90 HD22 ASN 90 6.494 -8.077 4.198 691 H GLU 91 H GLU 91 9.828 -3.086 4.104 692 HA GLU 91 HA GLU 91 11.427 -5.250 5.239 693 HB2 GLU 91 HB2 GLU 91 12.295 -2.421 4.650 694 HB3 GLU 91 HB3 GLU 91 13.322 -3.822 4.907 695 HG2 GLU 91 HG2 GLU 91 11.453 -3.457 2.577 696 HG3 GLU 91 HG3 GLU 91 13.185 -3.135 2.551 697 H THR 92 H THR 92 12.286 -5.200 7.299 698 HA THR 92 HA THR 92 11.885 -2.863 8.981 699 HB THR 92 HB THR 92 10.798 -5.551 9.852 700 HG1 THR 92 HG1 THR 92 9.683 -3.688 8.308 701 HG21 THR 92 HG21 THR 92 9.894 -4.275 11.752 702 HG22 THR 92 HG22 THR 92 10.688 -2.822 11.146 703 HG23 THR 92 HG23 THR 92 11.655 -4.191 11.694 704 H ARG 93 H ARG 93 14.002 -2.596 9.358 705 HA ARG 93 HA ARG 93 15.579 -4.914 10.253 706 HB2 ARG 93 HB2 ARG 93 16.359 -3.650 8.234 707 HB3 ARG 93 HB3 ARG 93 16.540 -2.227 9.244 708 HG2 ARG 93 HG2 ARG 93 18.684 -3.222 8.909 709 HG3 ARG 93 HG3 ARG 93 18.215 -3.441 10.594 710 HD2 ARG 93 HD2 ARG 93 19.266 -5.445 9.533 711 HD3 ARG 93 HD3 ARG 93 17.671 -5.731 10.224 712 HE ARG 93 HE ARG 93 16.773 -5.796 8.008 713 HH11 ARG 93 HH11 ARG 93 20.290 -5.639 8.085 714 HH12 ARG 93 HH12 ARG 93 20.456 -6.420 6.537 715 HH21 ARG 93 HH21 ARG 93 17.033 -6.786 5.964 716 HH22 ARG 93 HH22 ARG 93 18.633 -7.041 5.339 717 H LYS 94 H LYS 94 16.527 -4.893 12.264 718 HA LYS 94 HA LYS 94 15.589 -2.813 14.072 719 HB2 LYS 94 HB2 LYS 94 17.208 -5.240 14.830 720 HB3 LYS 94 HB3 LYS 94 16.238 -4.227 15.875 721 HG2 LYS 94 HG2 LYS 94 14.574 -5.648 15.649 722 HG3 LYS 94 HG3 LYS 94 14.478 -5.222 13.940 723 HD2 LYS 94 HD2 LYS 94 14.724 -7.677 14.426 724 HD3 LYS 94 HD3 LYS 94 15.932 -7.003 13.329 725 HE2 LYS 94 HE2 LYS 94 17.602 -7.004 15.017 726 HE3 LYS 94 HE3 LYS 94 16.412 -7.308 16.287 727 HZ1 LYS 94 HZ1 LYS 94 17.785 -9.263 15.581 728 HZ2 LYS 94 HZ2 LYS 94 16.959 -9.230 14.099 729 HZ3 LYS 94 HZ3 LYS 94 16.106 -9.508 15.538 730 H TYR 95 H TYR 95 16.825 -1.281 14.894 731 HA TYR 95 HA TYR 95 19.749 -1.590 14.744 732 HB2 TYR 95 HB2 TYR 95 18.174 0.971 14.368 733 HB3 TYR 95 HB3 TYR 95 19.930 0.843 14.390 734 HD1 TYR 95 HD1 TYR 95 16.886 0.054 12.488 735 HD2 TYR 95 HD2 TYR 95 21.136 0.070 12.469 736 HE1 TYR 95 HE1 TYR 95 16.874 -0.344 10.060 737 HE2 TYR 95 HE2 TYR 95 21.140 -0.322 10.045 738 HH TYR 95 HH TYR 95 19.683 -1.228 8.332 739 H LYS 96 H LYS 96 20.899 -0.794 16.539 740 HA LYS 96 HA LYS 96 19.191 -0.195 18.862 741 HB2 LYS 96 HB2 LYS 96 20.513 -2.234 19.133 742 HB3 LYS 96 HB3 LYS 96 21.989 -1.349 18.778 743 HG2 LYS 96 HG2 LYS 96 21.625 0.012 20.800 744 HG3 LYS 96 HG3 LYS 96 20.193 -0.953 21.162 745 HD2 LYS 96 HD2 LYS 96 22.959 -2.096 20.845 746 HD3 LYS 96 HD3 LYS 96 22.257 -1.632 22.395 747 HE2 LYS 96 HE2 LYS 96 20.893 -3.567 20.543 748 HE3 LYS 96 HE3 LYS 96 22.099 -4.092 21.717 749 HZ1 LYS 96 HZ1 LYS 96 20.757 -3.384 23.498 750 HZ2 LYS 96 HZ2 LYS 96 19.705 -4.208 22.452 751 HZ3 LYS 96 HZ3 LYS 96 19.710 -2.519 22.487 752 H MET 97 H MET 97 19.840 1.488 20.290 753 HA MET 97 HA MET 97 20.927 3.720 18.804 754 HB2 MET 97 HB2 MET 97 19.958 3.665 21.673 755 HB3 MET 97 HB3 MET 97 20.197 5.088 20.668 756 HG2 MET 97 HG2 MET 97 18.427 4.221 19.149 757 HG3 MET 97 HG3 MET 97 18.122 2.944 20.321 758 HE1 MET 97 HE1 MET 97 17.744 6.719 19.429 759 HE2 MET 97 HE2 MET 97 18.916 6.823 20.743 760 HE3 MET 97 HE3 MET 97 17.280 7.439 20.971 761 H THR 98 H THR 98 22.973 2.248 18.840 762 HA THR 98 HA THR 98 24.474 1.882 21.169 763 HB THR 98 HB THR 98 26.375 1.458 19.626 764 HG1 THR 98 HG1 THR 98 25.976 2.928 17.981 765 HG21 THR 98 HG21 THR 98 23.763 0.227 18.734 766 HG22 THR 98 HG22 THR 98 24.728 -0.305 20.114 767 HG23 THR 98 HG23 THR 98 25.375 -0.446 18.478 768 H SER 99 H SER 99 24.436 4.539 18.843 769 HA SER 99 HA SER 99 26.458 5.895 20.494 770 HB2 SER 99 HB2 SER 99 26.023 6.180 17.512 771 HB3 SER 99 HB3 SER 99 27.258 7.005 18.466 772 HG SER 99 HG SER 99 27.515 4.707 17.283 773 H ILE 100 H ILE 100 25.057 7.028 21.780 774 HA ILE 100 HA ILE 100 23.472 9.105 20.411 775 HB ILE 100 HB ILE 100 23.109 8.111 23.249 776 HG12 ILE 100 HG12 ILE 100 21.387 7.608 20.810 777 HG13 ILE 100 HG13 ILE 100 22.452 6.422 21.560 778 HG21 ILE 100 HG21 ILE 100 21.469 10.019 21.578 779 HG22 ILE 100 HG22 ILE 100 22.473 10.440 22.966 780 HG23 ILE 100 HG23 ILE 100 21.038 9.438 23.187 781 HD11 ILE 100 HD11 ILE 100 21.128 6.494 23.590 782 HD12 ILE 100 HD12 ILE 100 20.122 6.099 22.197 783 HD13 ILE 100 HD13 ILE 100 20.082 7.724 22.879 784 H ARG 101 H ARG 101 24.779 10.843 20.286 785 HA ARG 101 HA ARG 101 26.166 11.674 22.742 786 HB2 ARG 101 HB2 ARG 101 27.738 10.535 21.214 787 HB3 ARG 101 HB3 ARG 101 27.357 11.707 19.966 788 HG2 ARG 101 HG2 ARG 101 28.297 13.482 21.321 789 HG3 ARG 101 HG3 ARG 101 28.628 12.333 22.623 790 HD2 ARG 101 HD2 ARG 101 30.087 11.070 21.066 791 HD3 ARG 101 HD3 ARG 101 29.815 12.313 19.848 792 HE ARG 101 HE ARG 101 30.762 13.792 21.835 793 HH11 ARG 101 HH11 ARG 101 31.880 10.720 20.562 794 HH12 ARG 101 HH12 ARG 101 33.535 10.975 21.042 795 HH21 ARG 101 HH21 ARG 101 32.934 14.144 22.449 796 HH22 ARG 101 HH22 ARG 101 34.139 12.943 22.075 797 H ASP 102 H ASP 102 26.428 13.868 23.000 798 HA ASP 102 HA ASP 102 24.803 15.520 21.178 799 HB2 ASP 102 HB2 ASP 102 23.833 15.335 23.430 800 HB3 ASP 102 HB3 ASP 102 25.333 15.935 24.128 801 H VAL 103 H VAL 103 25.868 16.995 20.062 802 HA VAL 103 HA VAL 103 28.569 17.751 20.975 803 HB VAL 103 HB VAL 103 27.778 17.343 18.085 804 HG11 VAL 103 HG11 VAL 103 29.670 18.844 18.429 805 HG12 VAL 103 HG12 VAL 103 30.195 17.333 17.688 806 HG13 VAL 103 HG13 VAL 103 30.476 17.617 19.405 807 HG21 VAL 103 HG21 VAL 103 27.622 15.205 19.242 808 HG22 VAL 103 HG22 VAL 103 29.246 15.429 19.895 809 HG23 VAL 103 HG23 VAL 103 29.014 15.231 18.159 810 H LYS 104 H LYS 104 29.295 19.843 20.264 811 HA LYS 104 HA LYS 104 27.101 21.723 19.940 812 HB2 LYS 104 HB2 LYS 104 30.051 22.210 20.395 813 HB3 LYS 104 HB3 LYS 104 28.806 23.451 20.361 814 HG2 LYS 104 HG2 LYS 104 27.721 22.310 22.292 815 HG3 LYS 104 HG3 LYS 104 29.123 21.241 22.374 816 HD2 LYS 104 HD2 LYS 104 30.576 23.204 22.664 817 HD3 LYS 104 HD3 LYS 104 29.152 24.245 22.634 818 HE2 LYS 104 HE2 LYS 104 28.287 22.998 24.610 819 HE3 LYS 104 HE3 LYS 104 29.821 22.129 24.673 820 HZ1 LYS 104 HZ1 LYS 104 29.861 23.974 26.194 821 HZ2 LYS 104 HZ2 LYS 104 29.441 25.058 24.962 822 HZ3 LYS 104 HZ3 LYS 104 30.949 24.282 24.926 823 HA PRO 105 HA PRO 105 27.836 22.166 15.582 824 HB2 PRO 105 HB2 PRO 105 26.365 24.694 15.795 825 HB3 PRO 105 HB3 PRO 105 25.909 23.201 14.971 826 HG2 PRO 105 HG2 PRO 105 24.656 24.018 17.196 827 HG3 PRO 105 HG3 PRO 105 24.938 22.297 16.861 828 HD2 PRO 105 HD2 PRO 105 26.499 24.150 18.637 829 HD3 PRO 105 HD3 PRO 105 25.917 22.504 18.974 830 H THR 106 H THR 106 29.980 23.082 17.233 831 HA THR 106 HA THR 106 30.776 25.724 16.754 832 HB THR 106 HB THR 106 33.131 24.719 16.988 833 HG1 THR 106 HG1 THR 106 33.126 22.525 17.722 834 HG21 THR 106 HG21 THR 106 31.926 25.692 18.877 835 HG22 THR 106 HG22 THR 106 32.815 24.256 19.385 836 HG23 THR 106 HG23 THR 106 31.071 24.170 19.131 837 H ASP 107 H ASP 107 31.492 22.746 14.997 838 HA ASP 107 HA ASP 107 31.456 24.237 12.491 839 HB2 ASP 107 HB2 ASP 107 33.759 22.568 13.474 840 HB3 ASP 107 HB3 ASP 107 33.418 22.680 11.752 841 H VAL 108 H VAL 108 31.405 22.638 10.621 842 HA VAL 108 HA VAL 108 29.708 20.373 11.322 843 HB VAL 108 HB VAL 108 29.490 20.025 8.889 844 HG11 VAL 108 HG11 VAL 108 27.939 21.525 10.012 845 HG12 VAL 108 HG12 VAL 108 28.273 22.089 8.375 846 HG13 VAL 108 HG13 VAL 108 29.040 22.879 9.752 847 HG21 VAL 108 HG21 VAL 108 31.327 22.407 8.654 848 HG22 VAL 108 HG22 VAL 108 30.454 21.653 7.320 849 HG23 VAL 108 HG23 VAL 108 31.700 20.749 8.181 850 H GLU 109 H GLU 109 32.919 21.035 11.078 851 HA GLU 109 HA GLU 109 33.884 18.610 9.875 852 HB2 GLU 109 HB2 GLU 109 35.464 20.571 11.539 853 HB3 GLU 109 HB3 GLU 109 36.062 19.494 10.286 854 HG2 GLU 109 HG2 GLU 109 34.169 21.767 9.758 855 HG3 GLU 109 HG3 GLU 109 35.922 21.907 9.655 856 H VAL 110 H VAL 110 32.706 19.437 12.901 857 HA VAL 110 HA VAL 110 34.515 18.027 14.576 858 HB VAL 110 HB VAL 110 33.059 19.863 15.379 859 HG11 VAL 110 HG11 VAL 110 31.020 19.316 14.188 860 HG12 VAL 110 HG12 VAL 110 30.720 19.413 15.924 861 HG13 VAL 110 HG13 VAL 110 30.843 17.840 15.137 862 HG21 VAL 110 HG21 VAL 110 32.730 17.241 16.828 863 HG22 VAL 110 HG22 VAL 110 32.477 18.835 17.537 864 HG23 VAL 110 HG23 VAL 110 34.082 18.361 16.981 865 H LEU 111 H LEU 111 31.823 17.077 12.639 866 HA LEU 111 HA LEU 111 31.946 14.384 13.821 867 HB2 LEU 111 HB2 LEU 111 29.558 15.784 12.615 868 HB3 LEU 111 HB3 LEU 111 29.589 14.093 13.075 869 HG LEU 111 HG LEU 111 29.900 16.433 14.961 870 HD11 LEU 111 HD11 LEU 111 27.634 14.487 14.557 871 HD12 LEU 111 HD12 LEU 111 27.631 16.192 14.109 872 HD13 LEU 111 HD13 LEU 111 27.717 15.729 15.808 873 HD21 LEU 111 HD21 LEU 111 31.193 14.485 15.679 874 HD22 LEU 111 HD22 LEU 111 29.760 13.470 15.514 875 HD23 LEU 111 HD23 LEU 111 29.800 14.748 16.729 876 H ASP 112 H ASP 112 32.278 12.728 12.467 877 HA ASP 112 HA ASP 112 31.790 12.832 9.664 878 HB2 ASP 112 HB2 ASP 112 33.820 14.210 9.699 879 HB3 ASP 112 HB3 ASP 112 34.671 12.950 10.580 880 H GLU 113 H GLU 113 31.899 10.819 8.758 881 HA GLU 113 HA GLU 113 32.416 8.629 10.636 882 HB2 GLU 113 HB2 GLU 113 30.774 8.750 8.103 883 HB3 GLU 113 HB3 GLU 113 31.163 7.239 8.913 884 HG2 GLU 113 HG2 GLU 113 29.647 9.532 10.140 885 HG3 GLU 113 HG3 GLU 113 28.933 8.056 9.494 886 H GLN 114 H GLN 114 34.283 7.664 10.483 887 HA GLN 114 HA GLN 114 35.840 7.948 8.026 888 HB2 GLN 114 HB2 GLN 114 37.736 7.110 9.473 889 HB3 GLN 114 HB3 GLN 114 37.060 8.663 9.940 890 HG2 GLN 114 HG2 GLN 114 35.883 6.302 11.254 891 HG3 GLN 114 HG3 GLN 114 37.560 6.659 11.660 892 HE21 GLN 114 HE21 GLN 114 35.405 9.225 10.777 893 HE22 GLN 114 HE22 GLN 114 35.221 9.899 12.359 894 H LYS 115 H LYS 115 37.145 6.089 7.320 895 HA LYS 115 HA LYS 115 37.365 4.006 6.518 896 HB2 LYS 115 HB2 LYS 115 37.097 3.875 9.256 897 HB3 LYS 115 HB3 LYS 115 35.979 2.643 8.684 898 HG2 LYS 115 HG2 LYS 115 38.866 2.818 7.856 899 HG3 LYS 115 HG3 LYS 115 38.272 1.817 9.181 900 HD2 LYS 115 HD2 LYS 115 37.279 1.629 6.352 901 HD3 LYS 115 HD3 LYS 115 38.564 0.610 7.013 902 HE2 LYS 115 HE2 LYS 115 35.722 0.786 8.016 903 HE3 LYS 115 HE3 LYS 115 36.415 -0.546 7.094 904 HZ1 LYS 115 HZ1 LYS 115 36.355 -1.089 9.427 905 HZ2 LYS 115 HZ2 LYS 115 37.227 0.307 9.828 906 HZ3 LYS 115 HZ3 LYS 115 37.969 -0.930 8.934 907 H GLY 116 H GLY 116 34.836 5.568 6.104 908 HA2 GLY 116 HA2 GLY 116 33.108 5.144 4.590 909 HA3 GLY 116 HA3 GLY 116 33.357 3.417 4.823 910 H LYS 117 H LYS 117 31.173 2.994 5.141 911 HA LYS 117 HA LYS 117 30.268 3.604 7.806 912 HB2 LYS 117 HB2 LYS 117 27.908 3.979 6.710 913 HB3 LYS 117 HB3 LYS 117 29.024 5.293 7.050 914 HG2 LYS 117 HG2 LYS 117 28.299 5.673 4.900 915 HG3 LYS 117 HG3 LYS 117 29.888 4.947 4.707 916 HD2 LYS 117 HD2 LYS 117 28.860 2.787 4.299 917 HD3 LYS 117 HD3 LYS 117 27.258 3.512 4.464 918 HE2 LYS 117 HE2 LYS 117 27.835 5.044 2.567 919 HE3 LYS 117 HE3 LYS 117 29.322 4.129 2.345 920 HZ1 LYS 117 HZ1 LYS 117 26.534 3.169 1.980 921 HZ2 LYS 117 HZ2 LYS 117 27.874 2.130 2.027 922 HZ3 LYS 117 HZ3 LYS 117 27.756 3.299 0.805 923 H ASP 118 H ASP 118 28.507 2.279 8.558 924 HA ASP 118 HA ASP 118 28.379 -0.292 7.107 925 HB2 ASP 118 HB2 ASP 118 29.383 -0.058 9.549 926 HB3 ASP 118 HB3 ASP 118 27.683 -0.043 10.013 927 H LYS 119 H LYS 119 26.164 -1.328 8.568 928 HA LYS 119 HA LYS 119 24.021 0.222 7.386 929 HB2 LYS 119 HB2 LYS 119 23.750 -2.177 9.200 930 HB3 LYS 119 HB3 LYS 119 22.536 -1.522 8.118 931 HG2 LYS 119 HG2 LYS 119 23.224 -3.297 6.884 932 HG3 LYS 119 HG3 LYS 119 24.367 -2.086 6.297 933 HD2 LYS 119 HD2 LYS 119 26.110 -2.915 7.608 934 HD3 LYS 119 HD3 LYS 119 25.016 -3.793 8.672 935 HE2 LYS 119 HE2 LYS 119 24.472 -5.286 6.751 936 HE3 LYS 119 HE3 LYS 119 25.734 -4.469 5.828 937 HZ1 LYS 119 HZ1 LYS 119 26.249 -5.751 8.451 938 HZ2 LYS 119 HZ2 LYS 119 27.385 -5.235 7.305 939 HZ3 LYS 119 HZ3 LYS 119 26.411 -6.583 6.985 940 H GLN 120 H GLN 120 23.699 2.085 8.413 941 HA GLN 120 HA GLN 120 23.134 2.063 11.269 942 HB2 GLN 120 HB2 GLN 120 24.746 3.921 11.660 943 HB3 GLN 120 HB3 GLN 120 25.527 2.402 11.237 944 HG2 GLN 120 HG2 GLN 120 25.730 3.212 8.903 945 HG3 GLN 120 HG3 GLN 120 25.073 4.762 9.421 946 HE21 GLN 120 HE21 GLN 120 26.325 6.123 10.682 947 HE22 GLN 120 HE22 GLN 120 28.038 5.911 10.863 948 H LEU 121 H LEU 121 21.663 3.564 11.831 949 HA LEU 121 HA LEU 121 20.808 5.445 9.761 950 HB2 LEU 121 HB2 LEU 121 19.470 5.165 12.431 951 HB3 LEU 121 HB3 LEU 121 18.798 5.726 10.907 952 HG LEU 121 HG LEU 121 19.505 2.861 11.548 953 HD11 LEU 121 HD11 LEU 121 17.587 3.643 12.822 954 HD12 LEU 121 HD12 LEU 121 17.078 2.522 11.559 955 HD13 LEU 121 HD13 LEU 121 16.839 4.257 11.348 956 HD21 LEU 121 HD21 LEU 121 18.370 2.338 9.456 957 HD22 LEU 121 HD22 LEU 121 19.748 3.401 9.171 958 HD23 LEU 121 HD23 LEU 121 18.110 4.056 9.156 959 H THR 122 H THR 122 22.131 7.143 9.776 960 HA THR 122 HA THR 122 23.120 8.229 12.286 961 HB THR 122 HB THR 122 23.683 9.219 9.481 962 HG1 THR 122 HG1 THR 122 25.106 7.641 9.275 963 HG21 THR 122 HG21 THR 122 25.191 9.513 12.085 964 HG22 THR 122 HG22 THR 122 24.290 10.782 11.255 965 HG23 THR 122 HG23 THR 122 25.738 10.102 10.514 966 H LEU 123 H LEU 123 21.161 9.049 13.131 967 HA LEU 123 HA LEU 123 19.595 10.912 11.613 968 HB2 LEU 123 HB2 LEU 123 19.489 10.002 14.476 969 HB3 LEU 123 HB3 LEU 123 18.467 11.295 13.877 970 HG LEU 123 HG LEU 123 17.699 9.599 12.099 971 HD11 LEU 123 HD11 LEU 123 18.839 7.699 14.134 972 HD12 LEU 123 HD12 LEU 123 19.412 7.920 12.479 973 HD13 LEU 123 HD13 LEU 123 17.801 7.262 12.777 974 HD21 LEU 123 HD21 LEU 123 16.959 9.232 14.995 975 HD22 LEU 123 HD22 LEU 123 16.002 8.700 13.613 976 HD23 LEU 123 HD23 LEU 123 16.276 10.419 13.885 977 H ILE 124 H ILE 124 20.534 12.743 11.100 978 HA ILE 124 HA ILE 124 22.196 14.193 12.967 979 HB ILE 124 HB ILE 124 21.170 15.138 10.283 980 HG12 ILE 124 HG12 ILE 124 23.803 13.778 10.913 981 HG13 ILE 124 HG13 ILE 124 22.441 12.991 10.126 982 HG21 ILE 124 HG21 ILE 124 23.093 16.658 10.371 983 HG22 ILE 124 HG22 ILE 124 23.511 16.031 11.966 984 HG23 ILE 124 HG23 ILE 124 22.002 16.911 11.736 985 HD11 ILE 124 HD11 ILE 124 23.996 15.332 9.054 986 HD12 ILE 124 HD12 ILE 124 22.612 14.570 8.268 987 HD13 ILE 124 HD13 ILE 124 24.106 13.660 8.505 988 H THR 125 H THR 125 20.636 14.453 14.625 989 HA THR 125 HA THR 125 18.464 16.321 14.020 990 HB THR 125 HB THR 125 17.732 15.671 16.404 991 HG1 THR 125 HG1 THR 125 19.825 14.606 16.836 992 HG21 THR 125 HG21 THR 125 16.557 14.918 14.405 993 HG22 THR 125 HG22 THR 125 16.631 13.625 15.601 994 HG23 THR 125 HG23 THR 125 17.709 13.599 14.205 995 H CYS 126 H CYS 126 19.466 18.312 14.060 996 HA CYS 126 HA CYS 126 21.189 19.142 16.143 997 HB2 CYS 126 HB2 CYS 126 19.538 20.656 14.128 998 HB3 CYS 126 HB3 CYS 126 20.466 21.492 15.373 999 H ASP 127 H ASP 127 20.736 19.368 18.158 1000 HA ASP 127 HA ASP 127 18.175 18.824 19.191 1001 HB2 ASP 127 HB2 ASP 127 20.671 18.565 20.139 1002 HB3 ASP 127 HB3 ASP 127 20.243 20.077 20.928 1003 H ASP 128 H ASP 128 20.051 21.785 18.876 1004 HA ASP 128 HA ASP 128 17.698 23.334 19.740 1005 HB2 ASP 128 HB2 ASP 128 19.579 23.887 21.114 1006 HB3 ASP 128 HB3 ASP 128 20.640 24.023 19.714 1007 H TYR 129 H TYR 129 16.817 24.831 18.363 1008 HA TYR 129 HA TYR 129 18.095 25.473 15.858 1009 HB2 TYR 129 HB2 TYR 129 17.206 23.282 15.315 1010 HB3 TYR 129 HB3 TYR 129 15.628 23.723 15.950 1011 HD1 TYR 129 HD1 TYR 129 17.984 24.215 13.158 1012 HD2 TYR 129 HD2 TYR 129 14.074 25.000 14.640 1013 HE1 TYR 129 HE1 TYR 129 17.287 24.959 10.919 1014 HE2 TYR 129 HE2 TYR 129 13.369 25.745 12.407 1015 HH TYR 129 HH TYR 129 14.467 26.666 10.326 1016 H ASN 130 H ASN 130 17.691 27.583 15.666 1017 HA ASN 130 HA ASN 130 14.998 28.561 16.359 1018 HB2 ASN 130 HB2 ASN 130 16.821 29.810 17.423 1019 HB3 ASN 130 HB3 ASN 130 17.543 30.127 15.848 1020 HD21 ASN 130 HD21 ASN 130 17.401 32.361 16.301 1021 HD22 ASN 130 HD22 ASN 130 15.899 33.215 16.146 1022 H GLU 131 H GLU 131 13.611 29.007 14.785 1023 HA GLU 131 HA GLU 131 14.304 28.249 12.129 1024 HB2 GLU 131 HB2 GLU 131 11.940 28.815 11.607 1025 HB3 GLU 131 HB3 GLU 131 12.124 27.704 12.956 1026 HG2 GLU 131 HG2 GLU 131 11.417 29.235 14.497 1027 HG3 GLU 131 HG3 GLU 131 11.914 30.614 13.520 1028 H LYS 132 H LYS 132 14.049 31.344 13.723 1029 HA LYS 132 HA LYS 132 13.548 32.800 11.298 1030 HB2 LYS 132 HB2 LYS 132 12.897 33.492 13.690 1031 HB3 LYS 132 HB3 LYS 132 14.564 34.010 13.861 1032 HG2 LYS 132 HG2 LYS 132 12.824 35.011 11.632 1033 HG3 LYS 132 HG3 LYS 132 12.832 35.770 13.221 1034 HD2 LYS 132 HD2 LYS 132 15.211 36.224 13.018 1035 HD3 LYS 132 HD3 LYS 132 15.257 35.390 11.464 1036 HE2 LYS 132 HE2 LYS 132 13.538 37.801 12.010 1037 HE3 LYS 132 HE3 LYS 132 15.169 37.902 11.351 1038 HZ1 LYS 132 HZ1 LYS 132 12.906 36.442 10.089 1039 HZ2 LYS 132 HZ2 LYS 132 14.468 36.607 9.453 1040 HZ3 LYS 132 HZ3 LYS 132 13.474 37.970 9.620 1041 H THR 133 H THR 133 16.337 32.724 13.527 1042 HA THR 133 HA THR 133 17.941 34.136 11.585 1043 HB THR 133 HB THR 133 19.698 34.063 13.328 1044 HG1 THR 133 HG1 THR 133 18.947 33.223 15.430 1045 HG21 THR 133 HG21 THR 133 18.095 35.893 13.340 1046 HG22 THR 133 HG22 THR 133 18.502 35.438 14.995 1047 HG23 THR 133 HG23 THR 133 16.965 34.928 14.288 1048 H GLY 134 H GLY 134 17.181 30.929 12.136 1049 HA2 GLY 134 HA2 GLY 134 18.009 28.963 11.293 1050 HA3 GLY 134 HA3 GLY 134 18.988 29.945 10.213 1051 H VAL 135 H VAL 135 19.001 29.673 13.754 1052 HA VAL 135 HA VAL 135 21.850 28.970 13.563 1053 HB VAL 135 HB VAL 135 21.345 31.239 14.508 1054 HG11 VAL 135 HG11 VAL 135 19.330 30.722 15.725 1055 HG12 VAL 135 HG12 VAL 135 20.555 31.357 16.823 1056 HG13 VAL 135 HG13 VAL 135 20.221 29.627 16.780 1057 HG21 VAL 135 HG21 VAL 135 23.463 30.137 14.937 1058 HG22 VAL 135 HG22 VAL 135 22.762 29.287 16.315 1059 HG23 VAL 135 HG23 VAL 135 22.941 31.042 16.357 1060 H TRP 136 H TRP 136 22.693 27.563 15.095 1061 HA TRP 136 HA TRP 136 20.861 26.047 16.774 1062 HB2 TRP 136 HB2 TRP 136 22.243 23.969 15.812 1063 HB3 TRP 136 HB3 TRP 136 20.748 24.520 15.065 1064 HD1 TRP 136 HD1 TRP 136 24.581 24.854 14.559 1065 HE1 TRP 136 HE1 TRP 136 25.021 25.271 12.052 1066 HE3 TRP 136 HE3 TRP 136 19.745 25.204 12.939 1067 HZ2 TRP 136 HZ2 TRP 136 23.509 25.684 9.704 1068 HZ3 TRP 136 HZ3 TRP 136 19.325 25.612 10.551 1069 HH2 TRP 136 HH2 TRP 136 21.169 25.848 8.967 1070 H GLU 137 H GLU 137 21.747 26.000 18.739 1071 HA GLU 137 HA GLU 137 24.668 26.299 18.937 1072 HB2 GLU 137 HB2 GLU 137 22.526 26.724 21.022 1073 HB3 GLU 137 HB3 GLU 137 24.248 26.973 21.272 1074 HG2 GLU 137 HG2 GLU 137 24.149 28.671 19.410 1075 HG3 GLU 137 HG3 GLU 137 22.393 28.530 19.498 1076 H LYS 138 H LYS 138 22.609 23.812 18.829 1077 HA LYS 138 HA LYS 138 24.297 22.089 20.429 1078 HB2 LYS 138 HB2 LYS 138 22.605 23.136 22.002 1079 HB3 LYS 138 HB3 LYS 138 21.355 22.305 21.092 1080 HG2 LYS 138 HG2 LYS 138 22.240 20.164 21.739 1081 HG3 LYS 138 HG3 LYS 138 23.607 20.938 22.547 1082 HD2 LYS 138 HD2 LYS 138 22.036 22.076 24.069 1083 HD3 LYS 138 HD3 LYS 138 20.697 21.244 23.283 1084 HE2 LYS 138 HE2 LYS 138 22.975 19.915 24.743 1085 HE3 LYS 138 HE3 LYS 138 21.354 20.167 25.386 1086 HZ1 LYS 138 HZ1 LYS 138 20.522 18.821 23.484 1087 HZ2 LYS 138 HZ2 LYS 138 21.487 17.959 24.582 1088 HZ3 LYS 138 HZ3 LYS 138 22.139 18.453 23.096 1089 H ARG 139 H ARG 139 24.344 20.035 19.540 1090 HA ARG 139 HA ARG 139 22.039 19.147 18.004 1091 HB2 ARG 139 HB2 ARG 139 23.494 18.389 16.103 1092 HB3 ARG 139 HB3 ARG 139 23.270 20.126 16.225 1093 HG2 ARG 139 HG2 ARG 139 25.466 20.437 17.060 1094 HG3 ARG 139 HG3 ARG 139 25.691 18.702 17.294 1095 HD2 ARG 139 HD2 ARG 139 26.824 19.651 15.269 1096 HD3 ARG 139 HD3 ARG 139 25.733 18.306 14.949 1097 HE ARG 139 HE ARG 139 24.083 20.014 14.233 1098 HH11 ARG 139 HH11 ARG 139 27.506 20.749 14.152 1099 HH12 ARG 139 HH12 ARG 139 27.333 22.028 12.987 1100 HH21 ARG 139 HH21 ARG 139 23.853 21.653 12.680 1101 HH22 ARG 139 HH22 ARG 139 25.253 22.526 12.139 1102 H LYS 140 H LYS 140 21.534 17.358 19.021 1103 HA LYS 140 HA LYS 140 23.589 15.539 19.967 1104 HB2 LYS 140 HB2 LYS 140 21.767 15.825 21.478 1105 HB3 LYS 140 HB3 LYS 140 20.579 15.581 20.206 1106 HG2 LYS 140 HG2 LYS 140 22.254 13.272 20.385 1107 HG3 LYS 140 HG3 LYS 140 21.633 13.679 21.987 1108 HD2 LYS 140 HD2 LYS 140 19.771 13.670 19.650 1109 HD3 LYS 140 HD3 LYS 140 20.259 12.135 20.370 1110 HE2 LYS 140 HE2 LYS 140 18.137 13.020 21.297 1111 HE3 LYS 140 HE3 LYS 140 19.390 12.800 22.513 1112 HZ1 LYS 140 HZ1 LYS 140 18.562 15.385 21.287 1113 HZ2 LYS 140 HZ2 LYS 140 19.845 15.196 22.367 1114 HZ3 LYS 140 HZ3 LYS 140 18.267 14.873 22.879 1115 H ILE 141 H ILE 141 24.470 14.255 18.484 1116 HA ILE 141 HA ILE 141 22.965 13.399 16.195 1117 HB ILE 141 HB ILE 141 25.180 14.165 15.787 1118 HG12 ILE 141 HG12 ILE 141 26.288 12.036 14.965 1119 HG13 ILE 141 HG13 ILE 141 24.879 11.201 15.592 1120 HG21 ILE 141 HG21 ILE 141 27.172 13.083 16.781 1121 HG22 ILE 141 HG22 ILE 141 26.102 12.175 17.847 1122 HG23 ILE 141 HG23 ILE 141 26.173 13.933 17.960 1123 HD11 ILE 141 HD11 ILE 141 23.452 12.600 14.153 1124 HD12 ILE 141 HD12 ILE 141 24.590 11.609 13.240 1125 HD13 ILE 141 HD13 ILE 141 24.904 13.330 13.466 1126 H PHE 142 H PHE 142 22.045 11.504 16.024 1127 HA PHE 142 HA PHE 142 22.711 9.427 17.993 1128 HB2 PHE 142 HB2 PHE 142 20.562 9.962 18.657 1129 HB3 PHE 142 HB3 PHE 142 20.058 10.418 17.033 1130 HD1 PHE 142 HD1 PHE 142 21.398 7.300 18.604 1131 HD2 PHE 142 HD2 PHE 142 18.354 9.139 16.277 1132 HE1 PHE 142 HE1 PHE 142 20.305 5.118 18.316 1133 HE2 PHE 142 HE2 PHE 142 17.251 6.958 15.985 1134 HZ PHE 142 HZ PHE 142 18.231 4.944 17.006 1135 H VAL 143 H VAL 143 23.737 7.823 17.086 1136 HA VAL 143 HA VAL 143 23.038 7.060 14.325 1137 HB VAL 143 HB VAL 143 25.623 6.477 15.786 1138 HG11 VAL 143 HG11 VAL 143 25.045 4.816 14.089 1139 HG12 VAL 143 HG12 VAL 143 26.444 5.772 13.597 1140 HG13 VAL 143 HG13 VAL 143 24.860 6.096 12.892 1141 HG21 VAL 143 HG21 VAL 143 25.042 8.531 13.655 1142 HG22 VAL 143 HG22 VAL 143 26.639 8.133 14.288 1143 HG23 VAL 143 HG23 VAL 143 25.427 8.859 15.345 1144 H ALA 144 H ALA 144 21.800 5.336 14.252 1145 HA ALA 144 HA ALA 144 21.924 3.348 16.407 1146 HB1 ALA 144 HB1 ALA 144 19.829 2.500 15.484 1147 HB2 ALA 144 HB2 ALA 144 19.930 3.665 14.162 1148 HB3 ALA 144 HB3 ALA 144 19.720 4.227 15.820 1149 H THR 145 H THR 145 23.143 1.632 16.134 1150 HA THR 145 HA THR 145 24.060 0.902 13.467 1151 HB THR 145 HB THR 145 24.864 -0.347 16.105 1152 HG1 THR 145 HG1 THR 145 25.628 1.650 16.371 1153 HG21 THR 145 HG21 THR 145 25.430 -1.691 14.145 1154 HG22 THR 145 HG22 THR 145 26.889 -0.999 14.856 1155 HG23 THR 145 HG23 THR 145 26.201 -0.294 13.393 1156 H GLU 146 H GLU 146 23.671 -1.041 12.494 1157 HA GLU 146 HA GLU 146 21.175 -2.214 12.841 1158 HB2 GLU 146 HB2 GLU 146 22.372 -2.258 10.732 1159 HB3 GLU 146 HB3 GLU 146 23.629 -3.264 11.435 1160 HG2 GLU 146 HG2 GLU 146 21.964 -5.042 11.784 1161 HG3 GLU 146 HG3 GLU 146 20.762 -4.032 10.982 1162 H VAL 147 H VAL 147 20.408 -3.923 13.915 1163 HA VAL 147 HA VAL 147 22.309 -5.624 15.399 1164 HB VAL 147 HB VAL 147 19.385 -5.726 15.977 1165 HG11 VAL 147 HG11 VAL 147 20.913 -7.256 17.093 1166 HG12 VAL 147 HG12 VAL 147 20.161 -6.154 18.246 1167 HG13 VAL 147 HG13 VAL 147 21.826 -5.888 17.730 1168 HG21 VAL 147 HG21 VAL 147 19.776 -3.343 15.921 1169 HG22 VAL 147 HG22 VAL 147 21.173 -3.525 16.982 1170 HG23 VAL 147 HG23 VAL 147 19.553 -3.886 17.582 1171 H LYS 148 H LYS 148 21.584 -7.919 15.543 1172 HA LYS 148 HA LYS 148 20.521 -8.708 12.933 1173 HB2 LYS 148 HB2 LYS 148 21.821 -10.900 13.476 1174 HB3 LYS 148 HB3 LYS 148 22.678 -9.494 12.864 1175 HG2 LYS 148 HG2 LYS 148 23.999 -10.351 14.605 1176 HG3 LYS 148 HG3 LYS 148 23.203 -8.922 15.264 1177 HD2 LYS 148 HD2 LYS 148 23.198 -10.770 16.867 1178 HD3 LYS 148 HD3 LYS 148 21.560 -10.340 16.377 1179 HE2 LYS 148 HE2 LYS 148 21.503 -12.216 14.838 1180 HE3 LYS 148 HE3 LYS 148 23.170 -12.623 15.242 1181 HZ1 LYS 148 HZ1 LYS 148 20.928 -12.609 17.192 1182 HZ2 LYS 148 HZ2 LYS 148 22.515 -13.146 17.465 1183 HZ3 LYS 148 HZ3 LYS 148 21.506 -13.996 16.402 1184 H6 2W7 201 H6 2W7 201 18.857 21.093 11.193 1185 H7 2W7 201 H7 2W7 201 18.046 19.486 9.483 1186 H8 2W7 201 H8 2W7 201 19.665 18.086 8.232 1187 H9 2W7 201 H9 2W7 201 22.089 18.271 8.701 1188 H3 2W7 201 H3 2W7 201 23.283 21.667 9.316 1189 H122 2W7 201 H122 2W7 201 25.509 21.829 8.925 1190 H121 2W7 201 H121 2W7 201 25.765 20.958 10.448 1191 H4 2W7 201 H4 2W7 201 25.570 18.528 10.398 1192 HZ12 2W7 201 HZ12 2W7 201 25.979 16.042 10.256 1193 HZ11 2W7 201 HZ11 2W7 201 27.361 16.900 10.965 1194 HY1 2W7 201 HY1 2W7 201 27.982 14.606 10.317 1195 HX22 2W7 201 HX22 2W7 201 27.989 13.968 7.949 1196 HX21 2W7 201 HX21 2W7 201 26.341 14.336 8.510 1197 HY3 2W7 201 HY3 2W7 201 26.786 15.405 6.307 1198 HZ21 2W7 201 HZ21 2W7 201 25.281 16.523 7.914 1199 HZ22 2W7 201 HZ22 2W7 201 26.180 17.701 6.938 1200 HX31 2W7 201 HX31 2W7 201 29.225 15.638 6.567 1201 HX32 2W7 201 HX32 2W7 201 28.478 17.194 6.157 1202 HY2 2W7 201 HY2 2W7 201 30.119 17.460 7.987 1203 HZ32 2W7 201 HZ32 2W7 201 28.130 18.917 7.941 1204 HZ31 2W7 201 HZ31 2W7 201 28.629 18.563 9.606 1205 HX12 2W7 201 HX12 2W7 201 29.929 15.183 8.898 1206 HX11 2W7 201 HX11 2W7 201 29.672 16.397 10.168 Start of MODEL 10 1 HA MET 1 HA MET 1 4.036 -7.881 -7.518 2 HB2 MET 1 HB2 MET 1 6.197 -9.664 -8.662 3 HB3 MET 1 HB3 MET 1 6.354 -8.735 -7.177 4 HG2 MET 1 HG2 MET 1 4.544 -9.995 -6.168 5 HG3 MET 1 HG3 MET 1 4.311 -10.889 -7.668 6 HE1 MET 1 HE1 MET 1 4.453 -13.161 -6.364 7 HE2 MET 1 HE2 MET 1 4.700 -12.313 -4.839 8 HE3 MET 1 HE3 MET 1 5.786 -13.620 -5.307 9 H GLN 2 H GLN 2 4.795 -5.884 -7.456 10 HA GLN 2 HA GLN 2 6.913 -4.937 -9.122 11 HB2 GLN 2 HB2 GLN 2 5.680 -3.217 -10.341 12 HB3 GLN 2 HB3 GLN 2 5.113 -4.819 -10.783 13 HG2 GLN 2 HG2 GLN 2 3.700 -3.161 -8.723 14 HG3 GLN 2 HG3 GLN 2 3.383 -2.970 -10.445 15 HE21 GLN 2 HE21 GLN 2 2.432 -4.668 -11.585 16 HE22 GLN 2 HE22 GLN 2 1.561 -5.932 -10.776 17 H ALA 3 H ALA 3 6.754 -2.328 -8.974 18 HA ALA 3 HA ALA 3 6.841 -0.457 -7.709 19 HB1 ALA 3 HB1 ALA 3 4.470 -0.887 -7.234 20 HB2 ALA 3 HB2 ALA 3 5.298 -0.121 -5.880 21 HB3 ALA 3 HB3 ALA 3 4.937 -1.845 -5.831 22 H LYS 4 H LYS 4 8.836 -0.244 -6.990 23 HA LYS 4 HA LYS 4 9.694 -1.847 -4.685 24 HB2 LYS 4 HB2 LYS 4 11.986 -1.304 -5.350 25 HB3 LYS 4 HB3 LYS 4 11.112 -2.046 -6.682 26 HG2 LYS 4 HG2 LYS 4 10.793 0.116 -7.720 27 HG3 LYS 4 HG3 LYS 4 11.576 0.911 -6.354 28 HD2 LYS 4 HD2 LYS 4 13.168 0.734 -8.132 29 HD3 LYS 4 HD3 LYS 4 13.637 -0.398 -6.861 30 HE2 LYS 4 HE2 LYS 4 12.566 -2.219 -8.119 31 HE3 LYS 4 HE3 LYS 4 12.156 -1.077 -9.398 32 HZ1 LYS 4 HZ1 LYS 4 14.880 -1.881 -8.537 33 HZ2 LYS 4 HZ2 LYS 4 14.566 -0.642 -9.645 34 HZ3 LYS 4 HZ3 LYS 4 14.130 -2.236 -10.015 35 HA PRO 5 HA PRO 5 9.643 1.876 -2.226 36 HB2 PRO 5 HB2 PRO 5 11.185 0.999 -0.169 37 HB3 PRO 5 HB3 PRO 5 9.495 0.521 -0.373 38 HG2 PRO 5 HG2 PRO 5 11.988 -0.979 -1.056 39 HG3 PRO 5 HG3 PRO 5 10.477 -1.579 -0.350 40 HD2 PRO 5 HD2 PRO 5 11.124 -1.864 -2.985 41 HD3 PRO 5 HD3 PRO 5 9.453 -1.763 -2.394 42 H GLN 6 H GLN 6 10.798 3.571 -2.896 43 HA GLN 6 HA GLN 6 13.737 3.413 -2.795 44 HB2 GLN 6 HB2 GLN 6 12.046 4.710 -4.943 45 HB3 GLN 6 HB3 GLN 6 13.786 4.911 -4.795 46 HG2 GLN 6 HG2 GLN 6 12.456 2.240 -5.159 47 HG3 GLN 6 HG3 GLN 6 13.009 3.241 -6.499 48 HE21 GLN 6 HE21 GLN 6 13.985 1.284 -3.782 49 HE22 GLN 6 HE22 GLN 6 15.648 1.125 -4.257 50 H ILE 7 H ILE 7 14.639 5.754 -2.968 51 HA ILE 7 HA ILE 7 12.994 7.513 -1.273 52 HB ILE 7 HB ILE 7 16.016 7.460 -1.489 53 HG12 ILE 7 HG12 ILE 7 15.201 5.475 -0.305 54 HG13 ILE 7 HG13 ILE 7 15.975 6.578 0.825 55 HG21 ILE 7 HG21 ILE 7 14.198 9.042 0.322 56 HG22 ILE 7 HG22 ILE 7 15.178 9.681 -0.996 57 HG23 ILE 7 HG23 ILE 7 15.956 8.996 0.431 58 HD11 ILE 7 HD11 ILE 7 13.011 6.261 0.425 59 HD12 ILE 7 HD12 ILE 7 13.792 7.349 1.573 60 HD13 ILE 7 HD13 ILE 7 13.961 5.602 1.756 61 HA PRO 8 HA PRO 8 13.472 9.812 -5.177 62 HB2 PRO 8 HB2 PRO 8 10.900 10.354 -5.602 63 HB3 PRO 8 HB3 PRO 8 11.551 8.737 -5.888 64 HG2 PRO 8 HG2 PRO 8 9.848 9.722 -3.665 65 HG3 PRO 8 HG3 PRO 8 9.924 8.112 -4.398 66 HD2 PRO 8 HD2 PRO 8 11.189 8.978 -2.005 67 HD3 PRO 8 HD3 PRO 8 11.392 7.417 -2.822 68 H LYS 9 H LYS 9 12.349 12.024 -5.820 69 HA LYS 9 HA LYS 9 13.124 13.902 -3.837 70 HB2 LYS 9 HB2 LYS 9 13.290 14.028 -6.423 71 HB3 LYS 9 HB3 LYS 9 11.632 14.602 -6.327 72 HG2 LYS 9 HG2 LYS 9 12.408 16.364 -4.763 73 HG3 LYS 9 HG3 LYS 9 14.057 15.835 -5.089 74 HD2 LYS 9 HD2 LYS 9 13.676 16.289 -7.497 75 HD3 LYS 9 HD3 LYS 9 12.085 16.934 -7.089 76 HE2 LYS 9 HE2 LYS 9 13.569 18.783 -7.306 77 HE3 LYS 9 HE3 LYS 9 13.235 18.576 -5.587 78 HZ1 LYS 9 HZ1 LYS 9 15.364 17.349 -5.410 79 HZ2 LYS 9 HZ2 LYS 9 15.563 18.965 -5.895 80 HZ3 LYS 9 HZ3 LYS 9 15.679 17.722 -7.036 81 H ASP 10 H ASP 10 10.115 12.541 -4.884 82 HA ASP 10 HA ASP 10 8.311 14.435 -3.842 83 HB2 ASP 10 HB2 ASP 10 8.063 11.434 -4.159 84 HB3 ASP 10 HB3 ASP 10 6.728 12.475 -3.680 85 H LYS 11 H LYS 11 7.982 15.048 -1.785 86 HA LYS 11 HA LYS 11 9.502 13.664 0.263 87 HB2 LYS 11 HB2 LYS 11 7.916 16.225 0.449 88 HB3 LYS 11 HB3 LYS 11 9.029 15.608 1.653 89 HG2 LYS 11 HG2 LYS 11 10.856 15.815 -0.030 90 HG3 LYS 11 HG3 LYS 11 9.700 16.623 -1.094 91 HD2 LYS 11 HD2 LYS 11 9.300 18.302 0.680 92 HD3 LYS 11 HD3 LYS 11 10.539 17.522 1.662 93 HE2 LYS 11 HE2 LYS 11 11.589 19.362 0.634 94 HE3 LYS 11 HE3 LYS 11 12.133 17.942 -0.255 95 HZ1 LYS 11 HZ1 LYS 11 9.925 19.729 -1.109 96 HZ2 LYS 11 HZ2 LYS 11 10.568 18.439 -1.995 97 HZ3 LYS 11 HZ3 LYS 11 11.512 19.814 -1.696 98 H SER 12 H SER 12 6.141 14.544 -0.368 99 HA SER 12 HA SER 12 5.137 14.242 2.202 100 HB2 SER 12 HB2 SER 12 3.596 13.765 -0.348 101 HB3 SER 12 HB3 SER 12 2.967 14.345 1.197 102 HG SER 12 HG SER 12 3.677 16.297 0.772 103 H LYS 13 H LYS 13 5.510 11.803 -0.311 104 HA LYS 13 HA LYS 13 3.908 9.839 0.935 105 HB2 LYS 13 HB2 LYS 13 4.886 8.264 -0.637 106 HB3 LYS 13 HB3 LYS 13 4.438 9.757 -1.444 107 HG2 LYS 13 HG2 LYS 13 6.503 9.203 -2.357 108 HG3 LYS 13 HG3 LYS 13 6.889 10.432 -1.145 109 HD2 LYS 13 HD2 LYS 13 7.083 8.318 0.405 110 HD3 LYS 13 HD3 LYS 13 7.428 7.510 -1.131 111 HE2 LYS 13 HE2 LYS 13 9.486 8.269 -0.010 112 HE3 LYS 13 HE3 LYS 13 9.250 9.062 -1.568 113 HZ1 LYS 13 HZ1 LYS 13 9.940 10.552 0.314 114 HZ2 LYS 13 HZ2 LYS 13 8.407 10.296 0.997 115 HZ3 LYS 13 HZ3 LYS 13 8.554 11.035 -0.522 116 H VAL 14 H VAL 14 4.342 8.188 2.303 117 HA VAL 14 HA VAL 14 6.840 8.410 3.773 118 HB VAL 14 HB VAL 14 4.893 8.443 5.156 119 HG11 VAL 14 HG11 VAL 14 4.101 5.817 3.921 120 HG12 VAL 14 HG12 VAL 14 3.295 7.370 3.688 121 HG13 VAL 14 HG13 VAL 14 3.295 6.605 5.278 122 HG21 VAL 14 HG21 VAL 14 6.808 7.263 6.066 123 HG22 VAL 14 HG22 VAL 14 6.240 5.756 5.350 124 HG23 VAL 14 HG23 VAL 14 5.309 6.530 6.632 125 H ALA 15 H ALA 15 8.431 7.021 3.557 126 HA ALA 15 HA ALA 15 7.998 4.612 1.927 127 HB1 ALA 15 HB1 ALA 15 10.556 6.070 2.601 128 HB2 ALA 15 HB2 ALA 15 9.671 6.168 1.076 129 HB3 ALA 15 HB3 ALA 15 10.428 4.650 1.560 130 H GLY 16 H GLY 16 8.790 5.687 5.098 131 HA2 GLY 16 HA2 GLY 16 9.060 2.927 5.975 132 HA3 GLY 16 HA3 GLY 16 10.439 3.972 6.264 133 H TYR 17 H TYR 17 9.041 2.690 8.301 134 HA TYR 17 HA TYR 17 7.750 4.971 9.654 135 HB2 TYR 17 HB2 TYR 17 6.746 2.317 9.244 136 HB3 TYR 17 HB3 TYR 17 7.083 2.517 10.960 137 HD1 TYR 17 HD1 TYR 17 5.076 3.767 8.135 138 HD2 TYR 17 HD2 TYR 17 5.786 3.991 12.325 139 HE1 TYR 17 HE1 TYR 17 2.960 4.988 8.424 140 HE2 TYR 17 HE2 TYR 17 3.673 5.213 12.621 141 HH TYR 17 HH TYR 17 2.122 6.528 11.387 142 H ILE 18 H ILE 18 8.783 5.676 11.422 143 HA ILE 18 HA ILE 18 10.929 3.998 12.497 144 HB ILE 18 HB ILE 18 11.630 6.240 11.908 145 HG12 ILE 18 HG12 ILE 18 12.520 6.987 14.126 146 HG13 ILE 18 HG13 ILE 18 11.479 5.793 14.896 147 HG21 ILE 18 HG21 ILE 18 10.749 8.223 13.036 148 HG22 ILE 18 HG22 ILE 18 9.550 7.218 13.855 149 HG23 ILE 18 HG23 ILE 18 9.501 7.397 12.100 150 HD11 ILE 18 HD11 ILE 18 12.647 4.010 13.703 151 HD12 ILE 18 HD12 ILE 18 13.753 4.971 14.689 152 HD13 ILE 18 HD13 ILE 18 13.691 5.210 12.941 153 H GLU 19 H GLU 19 10.585 2.876 14.248 154 HA GLU 19 HA GLU 19 8.396 3.660 16.049 155 HB2 GLU 19 HB2 GLU 19 9.071 0.834 15.212 156 HB3 GLU 19 HB3 GLU 19 7.740 1.331 16.250 157 HG2 GLU 19 HG2 GLU 19 6.773 2.580 14.365 158 HG3 GLU 19 HG3 GLU 19 8.076 1.995 13.333 159 H ILE 20 H ILE 20 9.253 4.187 17.912 160 HA ILE 20 HA ILE 20 11.359 2.472 19.052 161 HB ILE 20 HB ILE 20 11.111 5.469 19.395 162 HG12 ILE 20 HG12 ILE 20 13.252 3.838 18.018 163 HG13 ILE 20 HG13 ILE 20 11.976 4.714 17.181 164 HG21 ILE 20 HG21 ILE 20 11.909 4.363 21.423 165 HG22 ILE 20 HG22 ILE 20 13.201 5.290 20.660 166 HG23 ILE 20 HG23 ILE 20 13.157 3.535 20.490 167 HD11 ILE 20 HD11 ILE 20 14.105 5.930 18.919 168 HD12 ILE 20 HD12 ILE 20 12.829 6.808 18.076 169 HD13 ILE 20 HD13 ILE 20 14.061 5.942 17.157 170 HA PRO 21 HA PRO 21 7.814 1.955 21.780 171 HB2 PRO 21 HB2 PRO 21 9.026 -0.008 23.288 172 HB3 PRO 21 HB3 PRO 21 8.148 -0.295 21.783 173 HG2 PRO 21 HG2 PRO 21 11.088 -0.059 22.252 174 HG3 PRO 21 HG3 PRO 21 10.207 -1.163 21.183 175 HD2 PRO 21 HD2 PRO 21 11.478 1.020 20.250 176 HD3 PRO 21 HD3 PRO 21 9.968 0.432 19.528 177 H ASP 22 H ASP 22 11.140 2.506 22.764 178 HA ASP 22 HA ASP 22 10.574 2.927 25.525 179 HB2 ASP 22 HB2 ASP 22 12.964 3.737 23.861 180 HB3 ASP 22 HB3 ASP 22 12.873 3.886 25.611 181 H ALA 23 H ALA 23 10.139 4.851 22.763 182 HA ALA 23 HA ALA 23 9.892 7.251 24.450 183 HB1 ALA 23 HB1 ALA 23 11.869 7.412 23.021 184 HB2 ALA 23 HB2 ALA 23 10.653 8.616 22.589 185 HB3 ALA 23 HB3 ALA 23 10.856 7.171 21.598 186 H ASP 24 H ASP 24 8.118 5.053 23.029 187 HA ASP 24 HA ASP 24 6.014 4.900 22.169 188 HB2 ASP 24 HB2 ASP 24 5.640 6.406 24.181 189 HB3 ASP 24 HB3 ASP 24 5.648 7.761 23.061 190 H ILE 25 H ILE 25 8.089 5.675 20.419 191 HA ILE 25 HA ILE 25 6.910 7.689 18.650 192 HB ILE 25 HB ILE 25 9.592 6.294 18.493 193 HG12 ILE 25 HG12 ILE 25 8.905 9.124 19.309 194 HG13 ILE 25 HG13 ILE 25 9.374 7.835 20.415 195 HG21 ILE 25 HG21 ILE 25 8.497 8.577 16.856 196 HG22 ILE 25 HG22 ILE 25 8.843 6.944 16.283 197 HG23 ILE 25 HG23 ILE 25 10.160 7.993 16.814 198 HD11 ILE 25 HD11 ILE 25 11.241 9.315 19.973 199 HD12 ILE 25 HD12 ILE 25 11.084 9.027 18.240 200 HD13 ILE 25 HD13 ILE 25 11.560 7.712 19.310 201 H LYS 26 H LYS 26 5.607 7.046 17.091 202 HA LYS 26 HA LYS 26 6.387 4.796 15.411 203 HB2 LYS 26 HB2 LYS 26 4.739 3.832 16.967 204 HB3 LYS 26 HB3 LYS 26 3.598 5.106 16.571 205 HG2 LYS 26 HG2 LYS 26 3.641 4.274 14.202 206 HG3 LYS 26 HG3 LYS 26 4.577 2.896 14.782 207 HD2 LYS 26 HD2 LYS 26 1.927 3.644 15.989 208 HD3 LYS 26 HD3 LYS 26 2.045 2.601 14.572 209 HE2 LYS 26 HE2 LYS 26 3.563 2.016 17.095 210 HE3 LYS 26 HE3 LYS 26 1.895 1.489 16.874 211 HZ1 LYS 26 HZ1 LYS 26 4.241 0.745 15.201 212 HZ2 LYS 26 HZ2 LYS 26 2.637 0.355 14.818 213 HZ3 LYS 26 HZ3 LYS 26 3.344 -0.274 16.222 214 H GLU 27 H GLU 27 7.024 6.481 14.004 215 HA GLU 27 HA GLU 27 4.839 8.208 13.023 216 HB2 GLU 27 HB2 GLU 27 7.747 8.948 13.363 217 HB3 GLU 27 HB3 GLU 27 6.473 10.005 12.772 218 HG2 GLU 27 HG2 GLU 27 6.481 8.774 15.514 219 HG3 GLU 27 HG3 GLU 27 7.158 10.359 15.147 220 HA PRO 28 HA PRO 28 6.128 6.871 8.943 221 HB2 PRO 28 HB2 PRO 28 4.786 8.719 7.506 222 HB3 PRO 28 HB3 PRO 28 3.971 7.355 8.281 223 HG2 PRO 28 HG2 PRO 28 4.221 10.187 9.210 224 HG3 PRO 28 HG3 PRO 28 2.793 9.138 9.211 225 HD2 PRO 28 HD2 PRO 28 4.294 9.557 11.434 226 HD3 PRO 28 HD3 PRO 28 3.454 8.028 11.122 227 H VAL 29 H VAL 29 7.882 7.360 7.772 228 HA VAL 29 HA VAL 29 9.205 9.917 8.307 229 HB VAL 29 HB VAL 29 10.266 7.401 7.009 230 HG11 VAL 29 HG11 VAL 29 11.449 9.323 6.175 231 HG12 VAL 29 HG12 VAL 29 12.480 8.458 7.314 232 HG13 VAL 29 HG13 VAL 29 11.669 9.943 7.812 233 HG21 VAL 29 HG21 VAL 29 10.686 8.524 9.775 234 HG22 VAL 29 HG22 VAL 29 11.531 7.131 9.101 235 HG23 VAL 29 HG23 VAL 29 9.788 7.064 9.360 236 H TYR 30 H TYR 30 9.675 11.378 6.746 237 HA TYR 30 HA TYR 30 8.504 10.866 4.090 238 HB2 TYR 30 HB2 TYR 30 9.072 13.561 5.334 239 HB3 TYR 30 HB3 TYR 30 8.128 13.230 3.886 240 HD1 TYR 30 HD1 TYR 30 6.228 11.257 4.536 241 HD2 TYR 30 HD2 TYR 30 7.772 14.316 7.060 242 HE1 TYR 30 HE1 TYR 30 4.185 11.153 5.907 243 HE2 TYR 30 HE2 TYR 30 5.738 14.219 8.434 244 HH TYR 30 HH TYR 30 3.543 11.716 8.304 245 HA PRO 31 HA PRO 31 12.986 11.030 3.139 246 HB2 PRO 31 HB2 PRO 31 12.084 9.479 0.812 247 HB3 PRO 31 HB3 PRO 31 13.319 9.086 2.013 248 HG2 PRO 31 HG2 PRO 31 10.969 7.793 1.934 249 HG3 PRO 31 HG3 PRO 31 11.794 8.141 3.465 250 HD2 PRO 31 HD2 PRO 31 9.486 9.564 2.189 251 HD3 PRO 31 HD3 PRO 31 9.731 9.118 3.892 252 H GLY 32 H GLY 32 13.885 12.594 1.957 253 HA2 GLY 32 HA2 GLY 32 13.480 13.306 -0.637 254 HA3 GLY 32 HA3 GLY 32 12.270 14.237 0.242 255 HA PRO 33 HA PRO 33 16.513 16.432 0.219 256 HB2 PRO 33 HB2 PRO 33 15.462 18.764 -0.835 257 HB3 PRO 33 HB3 PRO 33 16.310 17.527 -1.766 258 HG2 PRO 33 HG2 PRO 33 13.377 17.989 -1.446 259 HG3 PRO 33 HG3 PRO 33 14.289 17.502 -2.888 260 HD2 PRO 33 HD2 PRO 33 12.858 15.734 -1.453 261 HD3 PRO 33 HD3 PRO 33 14.392 15.285 -2.227 262 H ALA 34 H ALA 34 16.865 17.081 2.227 263 HA ALA 34 HA ALA 34 14.949 17.761 4.108 264 HB1 ALA 34 HB1 ALA 34 17.188 16.985 4.679 265 HB2 ALA 34 HB2 ALA 34 16.792 18.482 5.521 266 HB3 ALA 34 HB3 ALA 34 17.863 18.515 4.121 267 H THR 35 H THR 35 13.816 19.483 4.498 268 HA THR 35 HA THR 35 14.899 22.130 3.923 269 HB THR 35 HB THR 35 12.480 22.712 3.120 270 HG1 THR 35 HG1 THR 35 12.639 19.899 2.638 271 HG21 THR 35 HG21 THR 35 14.470 21.202 1.422 272 HG22 THR 35 HG22 THR 35 14.403 22.947 1.687 273 HG23 THR 35 HG23 THR 35 13.123 22.143 0.776 274 HA PRO 36 HA PRO 36 13.624 22.887 8.057 275 HB2 PRO 36 HB2 PRO 36 12.871 25.559 7.786 276 HB3 PRO 36 HB3 PRO 36 14.503 24.971 8.112 277 HG2 PRO 36 HG2 PRO 36 13.271 25.817 5.532 278 HG3 PRO 36 HG3 PRO 36 14.928 26.047 6.119 279 HD2 PRO 36 HD2 PRO 36 14.333 24.185 4.280 280 HD3 PRO 36 HD3 PRO 36 15.568 23.899 5.527 281 H GLU 37 H GLU 37 11.452 23.989 5.494 282 HA GLU 37 HA GLU 37 9.163 24.218 7.189 283 HB2 GLU 37 HB2 GLU 37 9.396 24.023 4.181 284 HB3 GLU 37 HB3 GLU 37 7.947 24.487 5.060 285 HG2 GLU 37 HG2 GLU 37 8.942 26.493 5.824 286 HG3 GLU 37 HG3 GLU 37 10.540 25.983 5.276 287 H GLN 38 H GLN 38 10.767 21.629 5.680 288 HA GLN 38 HA GLN 38 8.440 19.890 5.588 289 HB2 GLN 38 HB2 GLN 38 9.968 19.613 3.788 290 HB3 GLN 38 HB3 GLN 38 11.347 19.538 4.872 291 HG2 GLN 38 HG2 GLN 38 10.357 17.398 5.773 292 HG3 GLN 38 HG3 GLN 38 9.233 17.459 4.416 293 HE21 GLN 38 HE21 GLN 38 10.099 15.511 3.622 294 HE22 GLN 38 HE22 GLN 38 11.623 15.470 2.813 295 H LEU 39 H LEU 39 11.558 20.064 7.293 296 HA LEU 39 HA LEU 39 11.229 17.827 8.924 297 HB2 LEU 39 HB2 LEU 39 12.860 20.327 9.112 298 HB3 LEU 39 HB3 LEU 39 12.840 19.199 10.451 299 HG LEU 39 HG LEU 39 14.777 18.855 9.012 300 HD11 LEU 39 HD11 LEU 39 14.493 16.444 8.626 301 HD12 LEU 39 HD12 LEU 39 12.763 16.626 8.919 302 HD13 LEU 39 HD13 LEU 39 13.917 16.960 10.210 303 HD21 LEU 39 HD21 LEU 39 14.535 17.968 6.754 304 HD22 LEU 39 HD22 LEU 39 13.860 19.592 6.890 305 HD23 LEU 39 HD23 LEU 39 12.787 18.192 6.855 306 H ASN 40 H ASN 40 9.832 20.972 9.157 307 HA ASN 40 HA ASN 40 9.138 20.819 11.931 308 HB2 ASN 40 HB2 ASN 40 9.378 22.962 10.668 309 HB3 ASN 40 HB3 ASN 40 7.924 22.553 9.769 310 HD21 ASN 40 HD21 ASN 40 6.819 24.345 10.478 311 HD22 ASN 40 HD22 ASN 40 6.250 24.503 12.106 312 H ARG 41 H ARG 41 7.944 19.364 9.113 313 HA ARG 41 HA ARG 41 5.256 19.050 10.229 314 HB2 ARG 41 HB2 ARG 41 6.399 18.784 7.480 315 HB3 ARG 41 HB3 ARG 41 4.912 17.936 7.882 316 HG2 ARG 41 HG2 ARG 41 3.833 20.015 8.457 317 HG3 ARG 41 HG3 ARG 41 5.335 20.900 8.200 318 HD2 ARG 41 HD2 ARG 41 4.158 19.256 5.996 319 HD3 ARG 41 HD3 ARG 41 3.520 20.862 6.339 320 HE ARG 41 HE ARG 41 6.157 21.336 6.151 321 HH11 ARG 41 HH11 ARG 41 4.003 19.501 4.065 322 HH12 ARG 41 HH12 ARG 41 4.828 19.977 2.609 323 HH21 ARG 41 HH21 ARG 41 7.221 21.951 4.233 324 HH22 ARG 41 HH22 ARG 41 6.646 21.367 2.699 325 H GLY 42 H GLY 42 8.188 17.288 9.730 326 HA2 GLY 42 HA2 GLY 42 7.484 15.189 11.373 327 HA3 GLY 42 HA3 GLY 42 7.033 14.679 9.755 328 H VAL 43 H VAL 43 8.730 13.067 10.772 329 HA VAL 43 HA VAL 43 11.473 13.757 10.706 330 HB VAL 43 HB VAL 43 10.290 11.011 10.282 331 HG11 VAL 43 HG11 VAL 43 12.655 11.139 9.774 332 HG12 VAL 43 HG12 VAL 43 12.393 10.224 11.258 333 HG13 VAL 43 HG13 VAL 43 12.968 11.888 11.339 334 HG21 VAL 43 HG21 VAL 43 10.955 12.410 12.865 335 HG22 VAL 43 HG22 VAL 43 10.487 10.716 12.709 336 HG23 VAL 43 HG23 VAL 43 9.342 11.990 12.288 337 H SER 44 H SER 44 12.804 14.031 9.025 338 HA SER 44 HA SER 44 12.006 12.974 6.405 339 HB2 SER 44 HB2 SER 44 12.877 15.834 6.856 340 HB3 SER 44 HB3 SER 44 12.347 15.110 5.336 341 HG SER 44 HG SER 44 10.713 15.271 7.653 342 H PHE 45 H PHE 45 13.711 12.805 4.873 343 HA PHE 45 HA PHE 45 16.224 12.095 6.045 344 HB2 PHE 45 HB2 PHE 45 15.097 12.040 3.267 345 HB3 PHE 45 HB3 PHE 45 16.826 11.814 3.514 346 HD1 PHE 45 HD1 PHE 45 13.692 10.580 5.136 347 HD2 PHE 45 HD2 PHE 45 17.493 9.643 3.471 348 HE1 PHE 45 HE1 PHE 45 13.315 8.201 5.624 349 HE2 PHE 45 HE2 PHE 45 17.122 7.260 3.955 350 HZ PHE 45 HZ PHE 45 15.030 6.541 5.042 351 H ALA 46 H ALA 46 18.310 12.817 4.995 352 HA ALA 46 HA ALA 46 18.404 15.714 5.039 353 HB1 ALA 46 HB1 ALA 46 20.089 14.455 6.266 354 HB2 ALA 46 HB2 ALA 46 20.836 15.423 4.994 355 HB3 ALA 46 HB3 ALA 46 20.621 13.687 4.770 356 H GLU 47 H GLU 47 19.773 13.243 2.843 357 HA GLU 47 HA GLU 47 19.612 15.237 0.689 358 HB2 GLU 47 HB2 GLU 47 21.288 12.738 0.938 359 HB3 GLU 47 HB3 GLU 47 21.279 13.801 -0.461 360 HG2 GLU 47 HG2 GLU 47 22.060 14.651 2.316 361 HG3 GLU 47 HG3 GLU 47 23.195 14.150 1.063 362 H GLU 48 H GLU 48 18.971 14.547 -1.416 363 HA GLU 48 HA GLU 48 17.049 12.346 -1.434 364 HB2 GLU 48 HB2 GLU 48 16.532 13.268 -3.755 365 HB3 GLU 48 HB3 GLU 48 16.156 14.322 -2.397 366 HG2 GLU 48 HG2 GLU 48 18.116 15.635 -2.793 367 HG3 GLU 48 HG3 GLU 48 18.679 14.505 -4.023 368 H ASN 49 H ASN 49 20.211 12.564 -1.730 369 HA ASN 49 HA ASN 49 20.510 10.886 -4.111 370 HB2 ASN 49 HB2 ASN 49 22.501 12.365 -2.395 371 HB3 ASN 49 HB3 ASN 49 22.990 11.218 -3.636 372 HD21 ASN 49 HD21 ASN 49 20.963 11.877 -5.537 373 HD22 ASN 49 HD22 ASN 49 21.347 13.445 -6.157 374 H GLU 50 H GLU 50 19.873 10.450 -0.956 375 HA GLU 50 HA GLU 50 21.477 7.999 -0.762 376 HB2 GLU 50 HB2 GLU 50 20.938 8.082 1.674 377 HB3 GLU 50 HB3 GLU 50 21.887 9.450 1.110 378 HG2 GLU 50 HG2 GLU 50 19.752 10.751 0.962 379 HG3 GLU 50 HG3 GLU 50 18.957 9.396 1.768 380 H SER 51 H SER 51 20.490 6.056 -0.599 381 HA SER 51 HA SER 51 17.554 6.081 -0.788 382 HB2 SER 51 HB2 SER 51 18.690 5.485 -2.922 383 HB3 SER 51 HB3 SER 51 19.467 4.135 -2.105 384 HG SER 51 HG SER 51 17.551 3.544 -3.260 385 H LEU 52 H LEU 52 16.484 4.195 0.031 386 HA LEU 52 HA LEU 52 17.555 3.266 2.501 387 HB2 LEU 52 HB2 LEU 52 15.467 1.900 2.576 388 HB3 LEU 52 HB3 LEU 52 15.207 3.619 2.342 389 HG LEU 52 HG LEU 52 15.012 3.051 -0.166 390 HD11 LEU 52 HD11 LEU 52 15.857 0.758 -0.030 391 HD12 LEU 52 HD12 LEU 52 14.217 0.816 -0.679 392 HD13 LEU 52 HD13 LEU 52 14.488 0.319 0.993 393 HD21 LEU 52 HD21 LEU 52 12.909 2.168 1.802 394 HD22 LEU 52 HD22 LEU 52 12.632 2.523 0.097 395 HD23 LEU 52 HD23 LEU 52 13.153 3.804 1.190 396 H ASP 53 H ASP 53 18.210 2.448 -0.573 397 HA ASP 53 HA ASP 53 18.673 -0.396 -0.151 398 HB2 ASP 53 HB2 ASP 53 17.778 0.262 -2.303 399 HB3 ASP 53 HB3 ASP 53 19.063 1.440 -2.527 400 H ASP 54 H ASP 54 20.248 2.577 0.229 401 HA ASP 54 HA ASP 54 22.924 1.577 -0.253 402 HB2 ASP 54 HB2 ASP 54 21.784 4.244 0.513 403 HB3 ASP 54 HB3 ASP 54 23.509 3.931 0.677 404 H GLN 55 H GLN 55 24.559 2.430 1.519 405 HA GLN 55 HA GLN 55 23.813 0.993 3.968 406 HB2 GLN 55 HB2 GLN 55 25.785 0.193 2.792 407 HB3 GLN 55 HB3 GLN 55 26.495 1.797 2.812 408 HG2 GLN 55 HG2 GLN 55 25.846 0.730 5.461 409 HG3 GLN 55 HG3 GLN 55 27.053 -0.196 4.571 410 HE21 GLN 55 HE21 GLN 55 26.315 2.816 6.115 411 HE22 GLN 55 HE22 GLN 55 27.921 3.456 6.089 412 H ASN 56 H ASN 56 24.642 4.153 2.782 413 HA ASN 56 HA ASN 56 24.913 5.130 5.539 414 HB2 ASN 56 HB2 ASN 56 25.984 7.127 4.612 415 HB3 ASN 56 HB3 ASN 56 26.824 5.671 4.106 416 HD21 ASN 56 HD21 ASN 56 26.660 5.007 1.926 417 HD22 ASN 56 HD22 ASN 56 26.190 6.114 0.688 418 H ILE 57 H ILE 57 23.326 6.228 6.421 419 HA ILE 57 HA ILE 57 21.366 7.603 4.716 420 HB ILE 57 HB ILE 57 20.803 5.616 6.915 421 HG12 ILE 57 HG12 ILE 57 21.058 4.721 4.638 422 HG13 ILE 57 HG13 ILE 57 19.412 4.528 5.232 423 HG21 ILE 57 HG21 ILE 57 18.884 7.607 5.719 424 HG22 ILE 57 HG22 ILE 57 19.405 7.503 7.401 425 HG23 ILE 57 HG23 ILE 57 18.414 6.221 6.706 426 HD11 ILE 57 HD11 ILE 57 20.372 6.640 3.318 427 HD12 ILE 57 HD12 ILE 57 18.725 6.478 3.927 428 HD13 ILE 57 HD13 ILE 57 19.417 5.213 2.912 429 H SER 58 H SER 58 20.646 9.530 5.494 430 HA SER 58 HA SER 58 21.221 10.213 8.303 431 HB2 SER 58 HB2 SER 58 21.652 12.035 5.924 432 HB3 SER 58 HB3 SER 58 21.865 12.484 7.616 433 HG SER 58 HG SER 58 23.322 10.514 6.185 434 H ILE 59 H ILE 59 19.340 10.562 9.258 435 HA ILE 59 HA ILE 59 17.198 11.919 7.743 436 HB ILE 59 HB ILE 59 16.577 10.013 9.984 437 HG12 ILE 59 HG12 ILE 59 16.754 9.203 7.079 438 HG13 ILE 59 HG13 ILE 59 17.973 8.801 8.283 439 HG21 ILE 59 HG21 ILE 59 15.042 10.915 7.551 440 HG22 ILE 59 HG22 ILE 59 14.803 11.477 9.207 441 HG23 ILE 59 HG23 ILE 59 14.447 9.801 8.783 442 HD11 ILE 59 HD11 ILE 59 16.485 6.932 7.913 443 HD12 ILE 59 HD12 ILE 59 15.091 7.935 8.312 444 HD13 ILE 59 HD13 ILE 59 16.287 7.554 9.552 445 H ALA 60 H ALA 60 16.208 13.623 8.814 446 HA ALA 60 HA ALA 60 17.382 14.270 11.446 447 HB1 ALA 60 HB1 ALA 60 18.207 15.747 9.689 448 HB2 ALA 60 HB2 ALA 60 17.210 16.631 10.847 449 HB3 ALA 60 HB3 ALA 60 16.549 16.187 9.273 450 H GLY 61 H GLY 61 16.005 16.019 12.614 451 HA2 GLY 61 HA2 GLY 61 13.344 16.484 12.195 452 HA3 GLY 61 HA3 GLY 61 13.385 14.923 12.997 453 H HIS 62 H HIS 62 12.066 16.356 14.464 454 HA HIS 62 HA HIS 62 11.826 17.043 16.608 455 HB2 HIS 62 HB2 HIS 62 13.850 15.756 17.227 456 HB3 HIS 62 HB3 HIS 62 14.847 17.143 16.805 457 HD1 HIS 62 HD1 HIS 62 13.256 15.599 19.633 458 HD2 HIS 62 HD2 HIS 62 14.140 19.503 18.522 459 HE1 HIS 62 HE1 HIS 62 13.089 16.949 21.735 460 H THR 63 H THR 63 11.010 18.930 16.916 461 HA THR 63 HA THR 63 12.706 21.254 17.010 462 HB THR 63 HB THR 63 11.937 21.333 14.675 463 HG1 THR 63 HG1 THR 63 10.641 23.420 15.019 464 HG21 THR 63 HG21 THR 63 9.561 21.638 14.175 465 HG22 THR 63 HG22 THR 63 9.177 21.384 15.877 466 HG23 THR 63 HG23 THR 63 9.875 20.075 14.926 467 H PHE 64 H PHE 64 11.753 22.937 18.316 468 HA PHE 64 HA PHE 64 9.845 21.848 20.195 469 HB2 PHE 64 HB2 PHE 64 11.473 24.376 20.152 470 HB3 PHE 64 HB3 PHE 64 10.171 24.147 21.317 471 HD1 PHE 64 HD1 PHE 64 10.325 21.512 22.242 472 HD2 PHE 64 HD2 PHE 64 13.528 24.071 21.112 473 HE1 PHE 64 HE1 PHE 64 11.844 20.248 23.705 474 HE2 PHE 64 HE2 PHE 64 15.053 22.815 22.573 475 HZ PHE 64 HZ PHE 64 14.214 20.897 23.870 476 H ILE 65 H ILE 65 8.056 21.677 18.871 477 HA ILE 65 HA ILE 65 6.805 24.159 17.949 478 HB ILE 65 HB ILE 65 7.057 22.166 16.457 479 HG12 ILE 65 HG12 ILE 65 4.745 22.297 15.525 480 HG13 ILE 65 HG13 ILE 65 4.249 23.153 16.981 481 HG21 ILE 65 HG21 ILE 65 5.503 20.303 16.694 482 HG22 ILE 65 HG22 ILE 65 4.947 20.970 18.228 483 HG23 ILE 65 HG23 ILE 65 6.612 20.415 18.059 484 HD11 ILE 65 HD11 ILE 65 4.639 24.680 15.130 485 HD12 ILE 65 HD12 ILE 65 6.303 24.107 14.998 486 HD13 ILE 65 HD13 ILE 65 5.777 24.968 16.445 487 H ASP 66 H ASP 66 7.084 22.987 20.708 488 HA ASP 66 HA ASP 66 5.954 23.369 22.668 489 HB2 ASP 66 HB2 ASP 66 4.558 25.074 21.666 490 HB3 ASP 66 HB3 ASP 66 3.549 23.856 20.898 491 H ARG 67 H ARG 67 4.881 21.165 20.268 492 HA ARG 67 HA ARG 67 3.260 19.518 21.955 493 HB2 ARG 67 HB2 ARG 67 2.930 19.631 19.540 494 HB3 ARG 67 HB3 ARG 67 4.545 19.014 19.266 495 HG2 ARG 67 HG2 ARG 67 3.918 16.878 20.226 496 HG3 ARG 67 HG3 ARG 67 2.299 17.499 20.573 497 HD2 ARG 67 HD2 ARG 67 1.878 17.829 18.221 498 HD3 ARG 67 HD3 ARG 67 3.525 17.348 17.827 499 HE ARG 67 HE ARG 67 2.274 15.246 19.206 500 HH11 ARG 67 HH11 ARG 67 2.094 16.948 16.161 501 HH12 ARG 67 HH12 ARG 67 1.496 15.578 15.271 502 HH21 ARG 67 HH21 ARG 67 1.525 13.400 18.037 503 HH22 ARG 67 HH22 ARG 67 1.178 13.561 16.343 504 HA PRO 68 HA PRO 68 6.983 17.589 23.693 505 HB2 PRO 68 HB2 PRO 68 5.772 16.459 25.817 506 HB3 PRO 68 HB3 PRO 68 6.201 18.174 25.773 507 HG2 PRO 68 HG2 PRO 68 3.553 16.867 25.360 508 HG3 PRO 68 HG3 PRO 68 3.937 18.387 26.185 509 HD2 PRO 68 HD2 PRO 68 2.945 18.216 23.625 510 HD3 PRO 68 HD3 PRO 68 3.883 19.588 24.243 511 H ASN 69 H ASN 69 4.285 16.291 22.220 512 HA ASN 69 HA ASN 69 5.376 13.576 22.502 513 HB2 ASN 69 HB2 ASN 69 2.775 14.368 22.836 514 HB3 ASN 69 HB3 ASN 69 2.776 13.824 21.159 515 HD21 ASN 69 HD21 ASN 69 4.875 12.577 23.665 516 HD22 ASN 69 HD22 ASN 69 4.188 10.989 23.718 517 H TYR 70 H TYR 70 5.811 16.102 20.643 518 HA TYR 70 HA TYR 70 5.550 15.091 18.006 519 HB2 TYR 70 HB2 TYR 70 5.951 17.511 18.717 520 HB3 TYR 70 HB3 TYR 70 7.634 17.065 18.963 521 HD1 TYR 70 HD1 TYR 70 5.006 16.768 16.323 522 HD2 TYR 70 HD2 TYR 70 9.096 17.507 17.231 523 HE1 TYR 70 HE1 TYR 70 5.448 17.207 13.945 524 HE2 TYR 70 HE2 TYR 70 9.548 17.946 14.853 525 HH TYR 70 HH TYR 70 7.184 18.538 12.615 526 H GLN 71 H GLN 71 6.404 13.231 17.482 527 HA GLN 71 HA GLN 71 7.524 11.335 18.523 528 HB2 GLN 71 HB2 GLN 71 8.714 10.537 16.660 529 HB3 GLN 71 HB3 GLN 71 7.397 11.522 16.067 530 HG2 GLN 71 HG2 GLN 71 10.303 12.291 16.163 531 HG3 GLN 71 HG3 GLN 71 9.393 11.812 14.737 532 HE21 GLN 71 HE21 GLN 71 7.810 13.246 13.911 533 HE22 GLN 71 HE22 GLN 71 7.890 14.937 14.268 534 H PHE 72 H PHE 72 10.195 13.569 17.554 535 HA PHE 72 HA PHE 72 11.971 11.941 19.136 536 HB2 PHE 72 HB2 PHE 72 12.450 14.405 17.464 537 HB3 PHE 72 HB3 PHE 72 13.724 13.564 18.339 538 HD1 PHE 72 HD1 PHE 72 12.700 10.736 17.837 539 HD2 PHE 72 HD2 PHE 72 13.234 14.092 15.273 540 HE1 PHE 72 HE1 PHE 72 13.014 9.220 15.926 541 HE2 PHE 72 HE2 PHE 72 13.547 12.582 13.358 542 HZ PHE 72 HZ PHE 72 13.441 10.142 13.682 543 H THR 73 H THR 73 9.886 14.184 20.157 544 HA THR 73 HA THR 73 11.534 15.760 21.886 545 HB THR 73 HB THR 73 9.297 16.068 23.149 546 HG1 THR 73 HG1 THR 73 8.240 15.007 20.736 547 HG21 THR 73 HG21 THR 73 10.235 17.740 21.624 548 HG22 THR 73 HG22 THR 73 8.477 17.658 21.493 549 HG23 THR 73 HG23 THR 73 9.491 16.912 20.258 550 H ASN 74 H ASN 74 9.885 12.683 22.108 551 HA ASN 74 HA ASN 74 10.544 12.418 24.938 552 HB2 ASN 74 HB2 ASN 74 8.302 11.723 23.904 553 HB3 ASN 74 HB3 ASN 74 9.169 10.356 23.216 554 HD21 ASN 74 HD21 ASN 74 7.924 8.906 24.391 555 HD22 ASN 74 HD22 ASN 74 8.146 8.671 26.092 556 H LEU 75 H LEU 75 12.331 12.227 22.364 557 HA LEU 75 HA LEU 75 13.442 9.602 22.412 558 HB2 LEU 75 HB2 LEU 75 13.535 11.287 20.519 559 HB3 LEU 75 HB3 LEU 75 14.797 12.095 21.427 560 HG LEU 75 HG LEU 75 16.152 10.021 21.329 561 HD11 LEU 75 HD11 LEU 75 13.955 9.057 19.507 562 HD12 LEU 75 HD12 LEU 75 14.356 8.402 21.094 563 HD13 LEU 75 HD13 LEU 75 15.506 8.255 19.764 564 HD21 LEU 75 HD21 LEU 75 15.252 11.076 18.657 565 HD22 LEU 75 HD22 LEU 75 16.766 10.234 18.986 566 HD23 LEU 75 HD23 LEU 75 16.465 11.818 19.701 567 H LYS 76 H LYS 76 13.488 11.938 24.664 568 HA LYS 76 HA LYS 76 16.151 11.706 25.682 569 HB2 LYS 76 HB2 LYS 76 15.210 12.809 27.674 570 HB3 LYS 76 HB3 LYS 76 14.736 13.642 26.198 571 HG2 LYS 76 HG2 LYS 76 12.566 12.440 26.280 572 HG3 LYS 76 HG3 LYS 76 13.050 11.761 27.832 573 HD2 LYS 76 HD2 LYS 76 13.230 14.033 28.749 574 HD3 LYS 76 HD3 LYS 76 12.701 14.691 27.198 575 HE2 LYS 76 HE2 LYS 76 10.604 13.387 27.418 576 HE3 LYS 76 HE3 LYS 76 11.133 12.869 29.016 577 HZ1 LYS 76 HZ1 LYS 76 11.257 15.290 29.591 578 HZ2 LYS 76 HZ2 LYS 76 9.699 14.685 29.333 579 HZ3 LYS 76 HZ3 LYS 76 10.450 15.614 28.135 580 H ALA 77 H ALA 77 13.240 9.851 25.863 581 HA ALA 77 HA ALA 77 13.980 8.474 28.307 582 HB1 ALA 77 HB1 ALA 77 11.637 9.037 27.885 583 HB2 ALA 77 HB2 ALA 77 11.864 7.295 28.046 584 HB3 ALA 77 HB3 ALA 77 11.649 8.013 26.447 585 H ALA 78 H ALA 78 14.860 8.213 25.139 586 HA ALA 78 HA ALA 78 14.947 5.327 24.989 587 HB1 ALA 78 HB1 ALA 78 16.136 7.401 23.148 588 HB2 ALA 78 HB2 ALA 78 14.544 6.663 22.973 589 HB3 ALA 78 HB3 ALA 78 15.995 5.673 22.821 590 H LYS 79 H LYS 79 16.872 4.090 24.916 591 HA LYS 79 HA LYS 79 19.095 5.344 26.394 592 HB2 LYS 79 HB2 LYS 79 18.292 2.429 26.370 593 HB3 LYS 79 HB3 LYS 79 19.592 3.136 27.308 594 HG2 LYS 79 HG2 LYS 79 17.874 2.863 28.847 595 HG3 LYS 79 HG3 LYS 79 17.792 4.568 28.411 596 HD2 LYS 79 HD2 LYS 79 15.563 3.695 28.484 597 HD3 LYS 79 HD3 LYS 79 15.983 4.007 26.800 598 HE2 LYS 79 HE2 LYS 79 14.848 1.898 26.929 599 HE3 LYS 79 HE3 LYS 79 16.544 1.602 26.552 600 HZ1 LYS 79 HZ1 LYS 79 16.944 0.999 28.832 601 HZ2 LYS 79 HZ2 LYS 79 15.654 0.076 28.230 602 HZ3 LYS 79 HZ3 LYS 79 15.348 1.389 29.259 603 H LYS 80 H LYS 80 21.178 3.982 26.064 604 HA LYS 80 HA LYS 80 21.752 4.051 23.253 605 HB2 LYS 80 HB2 LYS 80 24.040 3.714 23.817 606 HB3 LYS 80 HB3 LYS 80 23.376 4.812 25.013 607 HG2 LYS 80 HG2 LYS 80 23.646 1.861 25.510 608 HG3 LYS 80 HG3 LYS 80 24.940 3.006 25.850 609 HD2 LYS 80 HD2 LYS 80 22.182 2.954 27.078 610 HD3 LYS 80 HD3 LYS 80 23.711 2.585 27.877 611 HE2 LYS 80 HE2 LYS 80 24.427 4.942 27.354 612 HE3 LYS 80 HE3 LYS 80 22.767 5.248 26.839 613 HZ1 LYS 80 HZ1 LYS 80 22.014 4.636 29.065 614 HZ2 LYS 80 HZ2 LYS 80 23.095 5.940 29.118 615 HZ3 LYS 80 HZ3 LYS 80 23.619 4.389 29.554 616 H GLY 81 H GLY 81 20.459 1.779 25.237 617 HA2 GLY 81 HA2 GLY 81 21.326 -0.395 23.434 618 HA3 GLY 81 HA3 GLY 81 20.911 -0.657 25.120 619 H SER 82 H SER 82 18.993 1.604 23.431 620 HA SER 82 HA SER 82 16.663 0.023 23.725 621 HB2 SER 82 HB2 SER 82 17.206 2.733 22.527 622 HB3 SER 82 HB3 SER 82 15.615 1.977 22.436 623 HG SER 82 HG SER 82 15.353 2.194 24.542 624 H MET 83 H MET 83 15.819 -1.278 22.369 625 HA MET 83 HA MET 83 16.865 -1.726 19.744 626 HB2 MET 83 HB2 MET 83 14.547 -2.889 21.271 627 HB3 MET 83 HB3 MET 83 14.833 -3.287 19.582 628 HG2 MET 83 HG2 MET 83 17.202 -3.532 21.237 629 HG3 MET 83 HG3 MET 83 15.887 -4.594 21.743 630 HE1 MET 83 HE1 MET 83 17.724 -4.591 17.499 631 HE2 MET 83 HE2 MET 83 18.351 -3.609 18.826 632 HE3 MET 83 HE3 MET 83 16.757 -3.266 18.153 633 H VAL 84 H VAL 84 16.529 -0.333 18.239 634 HA VAL 84 HA VAL 84 14.001 1.144 18.106 635 HB VAL 84 HB VAL 84 16.649 1.557 16.700 636 HG11 VAL 84 HG11 VAL 84 14.097 3.141 16.428 637 HG12 VAL 84 HG12 VAL 84 14.872 2.176 15.173 638 HG13 VAL 84 HG13 VAL 84 15.668 3.623 15.789 639 HG21 VAL 84 HG21 VAL 84 16.645 2.219 19.034 640 HG22 VAL 84 HG22 VAL 84 15.188 3.179 18.780 641 HG23 VAL 84 HG23 VAL 84 16.698 3.646 17.997 642 H TYR 85 H TYR 85 12.568 0.846 16.494 643 HA TYR 85 HA TYR 85 13.230 -1.258 14.553 644 HB2 TYR 85 HB2 TYR 85 10.552 -0.391 15.655 645 HB3 TYR 85 HB3 TYR 85 10.763 -1.583 14.375 646 HD1 TYR 85 HD1 TYR 85 12.162 -3.645 14.908 647 HD2 TYR 85 HD2 TYR 85 10.628 -1.041 17.902 648 HE1 TYR 85 HE1 TYR 85 12.436 -5.427 16.590 649 HE2 TYR 85 HE2 TYR 85 10.905 -2.805 19.594 650 HH TYR 85 HH TYR 85 11.092 -5.180 19.760 651 H PHE 86 H PHE 86 13.343 -0.742 12.503 652 HA PHE 86 HA PHE 86 11.992 1.723 11.624 653 HB2 PHE 86 HB2 PHE 86 14.462 2.016 11.690 654 HB3 PHE 86 HB3 PHE 86 14.624 0.675 10.562 655 HD1 PHE 86 HD1 PHE 86 12.760 3.890 10.862 656 HD2 PHE 86 HD2 PHE 86 14.866 1.191 8.335 657 HE1 PHE 86 HE1 PHE 86 12.495 5.452 8.982 658 HE2 PHE 86 HE2 PHE 86 14.599 2.749 6.446 659 HZ PHE 86 HZ PHE 86 13.411 4.884 6.772 660 H LYS 87 H LYS 87 10.390 1.216 10.389 661 HA LYS 87 HA LYS 87 10.340 -1.335 8.987 662 HB2 LYS 87 HB2 LYS 87 8.419 -0.415 10.351 663 HB3 LYS 87 HB3 LYS 87 8.194 0.781 9.087 664 HG2 LYS 87 HG2 LYS 87 7.852 -1.083 7.479 665 HG3 LYS 87 HG3 LYS 87 7.928 -2.205 8.840 666 HD2 LYS 87 HD2 LYS 87 5.865 -0.103 8.248 667 HD3 LYS 87 HD3 LYS 87 5.633 -1.834 8.498 668 HE2 LYS 87 HE2 LYS 87 6.414 0.208 10.581 669 HE3 LYS 87 HE3 LYS 87 4.853 -0.596 10.430 670 HZ1 LYS 87 HZ1 LYS 87 7.386 -2.064 10.918 671 HZ2 LYS 87 HZ2 LYS 87 5.807 -2.663 11.045 672 HZ3 LYS 87 HZ3 LYS 87 6.380 -1.518 12.168 673 H VAL 88 H VAL 88 10.560 -1.540 6.866 674 HA VAL 88 HA VAL 88 10.449 0.867 5.196 675 HB VAL 88 HB VAL 88 12.801 0.522 5.568 676 HG11 VAL 88 HG11 VAL 88 12.386 -2.308 4.607 677 HG12 VAL 88 HG12 VAL 88 12.817 -1.803 6.242 678 HG13 VAL 88 HG13 VAL 88 13.950 -1.552 4.915 679 HG21 VAL 88 HG21 VAL 88 12.100 1.223 3.344 680 HG22 VAL 88 HG22 VAL 88 12.026 -0.464 2.829 681 HG23 VAL 88 HG23 VAL 88 13.574 0.256 3.277 682 H GLY 89 H GLY 89 9.030 0.598 3.640 683 HA2 GLY 89 HA2 GLY 89 7.612 -0.422 2.145 684 HA3 GLY 89 HA3 GLY 89 8.728 -1.782 2.123 685 H ASN 90 H ASN 90 8.270 -3.588 3.296 686 HA ASN 90 HA ASN 90 5.914 -3.500 5.055 687 HB2 ASN 90 HB2 ASN 90 6.437 -5.363 2.764 688 HB3 ASN 90 HB3 ASN 90 5.453 -5.883 4.130 689 HD21 ASN 90 HD21 ASN 90 3.531 -4.783 4.581 690 HD22 ASN 90 HD22 ASN 90 2.710 -3.864 3.363 691 H GLU 91 H GLU 91 9.038 -3.832 5.164 692 HA GLU 91 HA GLU 91 8.926 -6.031 7.117 693 HB2 GLU 91 HB2 GLU 91 11.256 -6.607 6.503 694 HB3 GLU 91 HB3 GLU 91 10.127 -6.839 5.177 695 HG2 GLU 91 HG2 GLU 91 10.838 -4.600 4.309 696 HG3 GLU 91 HG3 GLU 91 12.105 -4.609 5.535 697 H THR 92 H THR 92 10.519 -5.847 8.860 698 HA THR 92 HA THR 92 11.201 -3.029 9.400 699 HB THR 92 HB THR 92 10.171 -4.968 11.479 700 HG1 THR 92 HG1 THR 92 8.484 -4.546 10.024 701 HG21 THR 92 HG21 THR 92 11.509 -3.138 12.371 702 HG22 THR 92 HG22 THR 92 9.810 -2.912 12.792 703 HG23 THR 92 HG23 THR 92 10.528 -1.968 11.487 704 H ARG 93 H ARG 93 13.241 -2.691 10.053 705 HA ARG 93 HA ARG 93 14.893 -5.025 10.733 706 HB2 ARG 93 HB2 ARG 93 15.659 -2.225 9.888 707 HB3 ARG 93 HB3 ARG 93 16.809 -3.470 10.344 708 HG2 ARG 93 HG2 ARG 93 14.911 -3.609 8.014 709 HG3 ARG 93 HG3 ARG 93 16.631 -3.222 7.928 710 HD2 ARG 93 HD2 ARG 93 17.047 -5.460 9.036 711 HD3 ARG 93 HD3 ARG 93 15.349 -5.823 8.724 712 HE ARG 93 HE ARG 93 17.458 -5.466 6.715 713 HH11 ARG 93 HH11 ARG 93 14.171 -6.343 7.521 714 HH12 ARG 93 HH12 ARG 93 13.815 -6.987 5.943 715 HH21 ARG 93 HH21 ARG 93 17.023 -6.371 4.668 716 HH22 ARG 93 HH22 ARG 93 15.458 -7.045 4.336 717 H LYS 94 H LYS 94 16.311 -4.920 12.548 718 HA LYS 94 HA LYS 94 15.372 -3.102 14.648 719 HB2 LYS 94 HB2 LYS 94 17.120 -5.541 14.997 720 HB3 LYS 94 HB3 LYS 94 16.332 -4.608 16.253 721 HG2 LYS 94 HG2 LYS 94 14.141 -5.316 15.341 722 HG3 LYS 94 HG3 LYS 94 15.002 -6.367 14.215 723 HD2 LYS 94 HD2 LYS 94 15.094 -6.503 17.226 724 HD3 LYS 94 HD3 LYS 94 14.280 -7.641 16.148 725 HE2 LYS 94 HE2 LYS 94 16.478 -8.180 15.139 726 HE3 LYS 94 HE3 LYS 94 17.252 -7.122 16.320 727 HZ1 LYS 94 HZ1 LYS 94 16.425 -8.535 18.091 728 HZ2 LYS 94 HZ2 LYS 94 17.332 -9.447 16.985 729 HZ3 LYS 94 HZ3 LYS 94 15.636 -9.533 16.968 730 H TYR 95 H TYR 95 16.640 -1.547 15.387 731 HA TYR 95 HA TYR 95 19.521 -1.696 14.794 732 HB2 TYR 95 HB2 TYR 95 17.775 0.774 14.741 733 HB3 TYR 95 HB3 TYR 95 19.516 0.750 14.499 734 HD1 TYR 95 HD1 TYR 95 16.271 -0.124 13.035 735 HD2 TYR 95 HD2 TYR 95 20.473 0.027 12.409 736 HE1 TYR 95 HE1 TYR 95 15.926 -0.503 10.627 737 HE2 TYR 95 HE2 TYR 95 20.140 -0.340 9.998 738 HH TYR 95 HH TYR 95 18.468 -1.303 8.509 739 H LYS 96 H LYS 96 20.885 -0.964 16.426 740 HA LYS 96 HA LYS 96 19.529 -0.447 18.977 741 HB2 LYS 96 HB2 LYS 96 21.029 -2.459 18.844 742 HB3 LYS 96 HB3 LYS 96 22.384 -1.364 18.584 743 HG2 LYS 96 HG2 LYS 96 21.813 -0.275 20.759 744 HG3 LYS 96 HG3 LYS 96 20.618 -1.543 21.019 745 HD2 LYS 96 HD2 LYS 96 23.590 -1.911 20.697 746 HD3 LYS 96 HD3 LYS 96 22.663 -2.073 22.188 747 HE2 LYS 96 HE2 LYS 96 21.424 -3.949 21.205 748 HE3 LYS 96 HE3 LYS 96 22.366 -3.790 19.724 749 HZ1 LYS 96 HZ1 LYS 96 23.354 -4.574 22.409 750 HZ2 LYS 96 HZ2 LYS 96 24.378 -4.203 21.111 751 HZ3 LYS 96 HZ3 LYS 96 23.321 -5.524 21.002 752 H MET 97 H MET 97 20.197 1.266 20.260 753 HA MET 97 HA MET 97 21.178 3.511 18.706 754 HB2 MET 97 HB2 MET 97 20.318 3.479 21.610 755 HB3 MET 97 HB3 MET 97 20.451 4.881 20.558 756 HG2 MET 97 HG2 MET 97 18.633 3.960 19.167 757 HG3 MET 97 HG3 MET 97 18.467 2.637 20.318 758 HE1 MET 97 HE1 MET 97 19.213 6.445 21.067 759 HE2 MET 97 HE2 MET 97 17.579 7.059 21.323 760 HE3 MET 97 HE3 MET 97 18.069 6.496 19.724 761 H THR 98 H THR 98 23.155 1.750 18.930 762 HA THR 98 HA THR 98 24.627 1.942 21.362 763 HB THR 98 HB THR 98 24.793 -0.126 20.284 764 HG1 THR 98 HG1 THR 98 27.028 1.401 20.535 765 HG21 THR 98 HG21 THR 98 25.567 1.419 17.829 766 HG22 THR 98 HG22 THR 98 24.115 0.449 18.082 767 HG23 THR 98 HG23 THR 98 25.692 -0.334 17.966 768 H SER 99 H SER 99 24.452 4.004 18.688 769 HA SER 99 HA SER 99 26.993 5.213 19.530 770 HB2 SER 99 HB2 SER 99 25.800 5.154 16.756 771 HB3 SER 99 HB3 SER 99 27.230 6.079 17.212 772 HG SER 99 HG SER 99 27.468 3.522 18.023 773 H ILE 100 H ILE 100 25.808 6.411 21.074 774 HA ILE 100 HA ILE 100 24.401 8.716 19.888 775 HB ILE 100 HB ILE 100 24.049 7.612 22.688 776 HG12 ILE 100 HG12 ILE 100 22.144 7.572 20.333 777 HG13 ILE 100 HG13 ILE 100 23.019 6.180 20.959 778 HG21 ILE 100 HG21 ILE 100 22.217 9.252 22.847 779 HG22 ILE 100 HG22 ILE 100 22.671 9.889 21.266 780 HG23 ILE 100 HG23 ILE 100 23.788 10.021 22.623 781 HD11 ILE 100 HD11 ILE 100 21.803 6.299 23.040 782 HD12 ILE 100 HD12 ILE 100 20.678 6.249 21.682 783 HD13 ILE 100 HD13 ILE 100 20.992 7.774 22.506 784 H ARG 101 H ARG 101 25.700 10.440 19.906 785 HA ARG 101 HA ARG 101 27.525 10.790 22.187 786 HB2 ARG 101 HB2 ARG 101 28.788 9.986 20.244 787 HB3 ARG 101 HB3 ARG 101 28.153 11.306 19.273 788 HG2 ARG 101 HG2 ARG 101 29.344 12.920 20.595 789 HG3 ARG 101 HG3 ARG 101 29.877 11.664 21.714 790 HD2 ARG 101 HD2 ARG 101 31.170 10.606 19.960 791 HD3 ARG 101 HD3 ARG 101 30.577 11.781 18.785 792 HE ARG 101 HE ARG 101 31.925 13.435 19.773 793 HH11 ARG 101 HH11 ARG 101 32.263 10.340 21.393 794 HH12 ARG 101 HH12 ARG 101 33.787 10.756 22.130 795 HH21 ARG 101 HH21 ARG 101 33.952 13.947 20.689 796 HH22 ARG 101 HH22 ARG 101 34.767 12.787 21.700 797 H ASP 102 H ASP 102 28.082 12.977 22.666 798 HA ASP 102 HA ASP 102 25.928 14.822 22.187 799 HB2 ASP 102 HB2 ASP 102 26.898 14.726 24.405 800 HB3 ASP 102 HB3 ASP 102 28.494 15.101 23.759 801 H VAL 103 H VAL 103 25.830 16.181 20.560 802 HA VAL 103 HA VAL 103 28.334 17.299 19.495 803 HB VAL 103 HB VAL 103 25.906 16.589 17.824 804 HG11 VAL 103 HG11 VAL 103 27.087 18.529 16.986 805 HG12 VAL 103 HG12 VAL 103 27.343 17.143 15.926 806 HG13 VAL 103 HG13 VAL 103 28.611 17.645 17.042 807 HG21 VAL 103 HG21 VAL 103 27.073 14.577 18.512 808 HG22 VAL 103 HG22 VAL 103 28.606 15.259 17.972 809 HG23 VAL 103 HG23 VAL 103 27.345 14.888 16.796 810 H LYS 104 H LYS 104 28.196 19.249 20.510 811 HA LYS 104 HA LYS 104 25.758 20.763 20.632 812 HB2 LYS 104 HB2 LYS 104 28.563 21.803 21.042 813 HB3 LYS 104 HB3 LYS 104 27.069 22.462 21.694 814 HG2 LYS 104 HG2 LYS 104 26.824 20.600 23.177 815 HG3 LYS 104 HG3 LYS 104 28.194 19.769 22.432 816 HD2 LYS 104 HD2 LYS 104 29.515 21.901 23.090 817 HD3 LYS 104 HD3 LYS 104 28.175 22.181 24.203 818 HE2 LYS 104 HE2 LYS 104 30.071 20.971 25.237 819 HE3 LYS 104 HE3 LYS 104 28.556 20.066 25.279 820 HZ1 LYS 104 HZ1 LYS 104 30.457 19.653 23.062 821 HZ2 LYS 104 HZ2 LYS 104 29.290 18.588 23.693 822 HZ3 LYS 104 HZ3 LYS 104 30.724 18.889 24.556 823 HA PRO 105 HA PRO 105 26.038 23.128 16.827 824 HB2 PRO 105 HB2 PRO 105 26.078 25.630 18.426 825 HB3 PRO 105 HB3 PRO 105 24.973 25.132 17.140 826 HG2 PRO 105 HG2 PRO 105 24.184 25.126 19.680 827 HG3 PRO 105 HG3 PRO 105 23.683 23.838 18.569 828 HD2 PRO 105 HD2 PRO 105 25.790 23.793 20.695 829 HD3 PRO 105 HD3 PRO 105 24.618 22.537 20.241 830 H THR 106 H THR 106 28.299 23.496 19.359 831 HA THR 106 HA THR 106 30.228 24.827 17.591 832 HB THR 106 HB THR 106 29.965 25.979 19.701 833 HG1 THR 106 HG1 THR 106 32.343 24.646 19.111 834 HG21 THR 106 HG21 THR 106 29.089 24.161 21.065 835 HG22 THR 106 HG22 THR 106 30.495 24.885 21.847 836 HG23 THR 106 HG23 THR 106 30.651 23.342 21.005 837 H ASP 107 H ASP 107 29.304 21.799 18.274 838 HA ASP 107 HA ASP 107 32.055 20.740 18.265 839 HB2 ASP 107 HB2 ASP 107 29.522 19.688 19.453 840 HB3 ASP 107 HB3 ASP 107 30.726 18.537 18.886 841 H VAL 108 H VAL 108 30.503 21.739 16.006 842 HA VAL 108 HA VAL 108 29.665 19.564 14.411 843 HB VAL 108 HB VAL 108 30.584 22.305 13.525 844 HG11 VAL 108 HG11 VAL 108 28.914 21.970 11.746 845 HG12 VAL 108 HG12 VAL 108 28.670 20.326 12.333 846 HG13 VAL 108 HG13 VAL 108 30.239 20.811 11.689 847 HG21 VAL 108 HG21 VAL 108 28.973 22.549 15.331 848 HG22 VAL 108 HG22 VAL 108 27.860 21.460 14.501 849 HG23 VAL 108 HG23 VAL 108 28.257 23.025 13.789 850 H GLU 109 H GLU 109 30.813 19.188 12.247 851 HA GLU 109 HA GLU 109 32.467 18.085 11.224 852 HB2 GLU 109 HB2 GLU 109 34.438 19.380 10.699 853 HB3 GLU 109 HB3 GLU 109 33.000 20.375 10.612 854 HG2 GLU 109 HG2 GLU 109 34.420 20.439 13.177 855 HG3 GLU 109 HG3 GLU 109 35.302 21.105 11.805 856 H VAL 110 H VAL 110 32.288 17.570 14.210 857 HA VAL 110 HA VAL 110 35.010 16.675 14.707 858 HB VAL 110 HB VAL 110 33.567 17.578 16.563 859 HG11 VAL 110 HG11 VAL 110 31.470 16.480 15.943 860 HG12 VAL 110 HG12 VAL 110 31.934 16.121 17.606 861 HG13 VAL 110 HG13 VAL 110 32.181 14.914 16.342 862 HG21 VAL 110 HG21 VAL 110 34.303 15.898 18.212 863 HG22 VAL 110 HG22 VAL 110 35.568 16.333 17.063 864 HG23 VAL 110 HG23 VAL 110 34.702 14.806 16.886 865 H LEU 111 H LEU 111 32.042 15.469 13.450 866 HA LEU 111 HA LEU 111 32.836 12.692 13.650 867 HB2 LEU 111 HB2 LEU 111 30.518 14.045 12.279 868 HB3 LEU 111 HB3 LEU 111 30.844 12.335 12.103 869 HG LEU 111 HG LEU 111 29.172 12.447 13.724 870 HD11 LEU 111 HD11 LEU 111 30.971 10.967 14.390 871 HD12 LEU 111 HD12 LEU 111 30.214 11.702 15.803 872 HD13 LEU 111 HD13 LEU 111 31.774 12.295 15.232 873 HD21 LEU 111 HD21 LEU 111 30.710 14.674 15.035 874 HD22 LEU 111 HD22 LEU 111 29.246 13.934 15.681 875 HD23 LEU 111 HD23 LEU 111 29.189 14.818 14.155 876 H ASP 112 H ASP 112 34.486 12.091 12.441 877 HA ASP 112 HA ASP 112 34.836 13.257 9.797 878 HB2 ASP 112 HB2 ASP 112 37.038 12.156 9.813 879 HB3 ASP 112 HB3 ASP 112 36.812 13.196 11.213 880 H GLU 113 H GLU 113 35.842 11.454 8.200 881 HA GLU 113 HA GLU 113 33.488 9.736 7.852 882 HB2 GLU 113 HB2 GLU 113 33.936 11.520 6.197 883 HB3 GLU 113 HB3 GLU 113 35.464 10.750 5.808 884 HG2 GLU 113 HG2 GLU 113 34.256 8.772 5.023 885 HG3 GLU 113 HG3 GLU 113 32.729 9.572 5.394 886 H GLN 114 H GLN 114 33.882 7.726 8.577 887 HA GLN 114 HA GLN 114 36.322 6.362 7.697 888 HB2 GLN 114 HB2 GLN 114 34.336 5.865 9.867 889 HB3 GLN 114 HB3 GLN 114 35.159 4.483 9.167 890 HG2 GLN 114 HG2 GLN 114 36.389 5.072 11.058 891 HG3 GLN 114 HG3 GLN 114 37.317 5.660 9.684 892 HE21 GLN 114 HE21 GLN 114 37.571 7.848 9.389 893 HE22 GLN 114 HE22 GLN 114 37.169 9.010 10.614 894 H LYS 115 H LYS 115 36.266 4.680 6.286 895 HA LYS 115 HA LYS 115 33.656 3.970 5.138 896 HB2 LYS 115 HB2 LYS 115 36.454 3.494 4.085 897 HB3 LYS 115 HB3 LYS 115 34.975 2.995 3.277 898 HG2 LYS 115 HG2 LYS 115 35.798 5.833 3.867 899 HG3 LYS 115 HG3 LYS 115 35.873 5.030 2.299 900 HD2 LYS 115 HD2 LYS 115 33.370 5.585 3.890 901 HD3 LYS 115 HD3 LYS 115 33.906 6.471 2.463 902 HE2 LYS 115 HE2 LYS 115 33.215 3.535 2.533 903 HE3 LYS 115 HE3 LYS 115 32.144 4.815 1.966 904 HZ1 LYS 115 HZ1 LYS 115 33.719 5.329 0.218 905 HZ2 LYS 115 HZ2 LYS 115 33.278 3.694 0.143 906 HZ3 LYS 115 HZ3 LYS 115 34.788 4.138 0.777 907 H GLY 116 H GLY 116 33.066 1.768 4.897 908 HA2 GLY 116 HA2 GLY 116 33.290 -0.543 5.333 909 HA3 GLY 116 HA3 GLY 116 34.686 -0.197 6.345 910 H LYS 117 H LYS 117 31.358 1.012 6.318 911 HA LYS 117 HA LYS 117 31.215 0.485 9.208 912 HB2 LYS 117 HB2 LYS 117 29.575 2.368 7.493 913 HB3 LYS 117 HB3 LYS 117 29.414 2.172 9.231 914 HG2 LYS 117 HG2 LYS 117 31.911 3.140 7.855 915 HG3 LYS 117 HG3 LYS 117 30.677 4.192 8.549 916 HD2 LYS 117 HD2 LYS 117 32.345 2.163 10.040 917 HD3 LYS 117 HD3 LYS 117 32.540 3.917 10.092 918 HE2 LYS 117 HE2 LYS 117 30.202 4.061 10.967 919 HE3 LYS 117 HE3 LYS 117 30.195 2.303 11.085 920 HZ1 LYS 117 HZ1 LYS 117 31.874 4.226 12.581 921 HZ2 LYS 117 HZ2 LYS 117 32.233 2.571 12.522 922 HZ3 LYS 117 HZ3 LYS 117 30.766 3.097 13.199 923 H ASP 118 H ASP 118 28.572 0.490 9.674 924 HA ASP 118 HA ASP 118 27.512 -1.752 8.079 925 HB2 ASP 118 HB2 ASP 118 27.923 -1.845 10.714 926 HB3 ASP 118 HB3 ASP 118 26.382 -1.002 10.753 927 H LYS 119 H LYS 119 24.867 -1.566 8.724 928 HA LYS 119 HA LYS 119 24.069 0.816 7.284 929 HB2 LYS 119 HB2 LYS 119 22.466 -1.471 8.430 930 HB3 LYS 119 HB3 LYS 119 21.747 -0.108 7.588 931 HG2 LYS 119 HG2 LYS 119 21.877 -1.745 5.952 932 HG3 LYS 119 HG3 LYS 119 23.298 -0.753 5.645 933 HD2 LYS 119 HD2 LYS 119 24.753 -2.365 6.342 934 HD3 LYS 119 HD3 LYS 119 23.604 -3.063 7.484 935 HE2 LYS 119 HE2 LYS 119 23.430 -3.312 4.484 936 HE3 LYS 119 HE3 LYS 119 24.086 -4.543 5.565 937 HZ1 LYS 119 HZ1 LYS 119 21.872 -4.508 6.712 938 HZ2 LYS 119 HZ2 LYS 119 21.858 -5.137 5.137 939 HZ3 LYS 119 HZ3 LYS 119 21.290 -3.566 5.428 940 H GLN 120 H GLN 120 24.275 2.588 8.467 941 HA GLN 120 HA GLN 120 22.929 2.644 11.081 942 HB2 GLN 120 HB2 GLN 120 24.548 4.429 11.706 943 HB3 GLN 120 HB3 GLN 120 25.302 2.868 11.419 944 HG2 GLN 120 HG2 GLN 120 26.009 3.602 9.208 945 HG3 GLN 120 HG3 GLN 120 25.227 5.161 9.468 946 HE21 GLN 120 HE21 GLN 120 26.152 6.636 10.885 947 HE22 GLN 120 HE22 GLN 120 27.786 6.485 11.429 948 H LEU 121 H LEU 121 21.248 3.973 11.209 949 HA LEU 121 HA LEU 121 20.876 6.000 9.146 950 HB2 LEU 121 HB2 LEU 121 19.027 5.508 11.479 951 HB3 LEU 121 HB3 LEU 121 18.671 6.336 9.980 952 HG LEU 121 HG LEU 121 17.529 4.337 9.774 953 HD11 LEU 121 HD11 LEU 121 20.183 3.786 8.472 954 HD12 LEU 121 HD12 LEU 121 18.875 4.757 7.795 955 HD13 LEU 121 HD13 LEU 121 18.644 3.029 8.063 956 HD21 LEU 121 HD21 LEU 121 18.357 2.161 10.389 957 HD22 LEU 121 HD22 LEU 121 18.490 3.268 11.757 958 HD23 LEU 121 HD23 LEU 121 19.922 2.847 10.819 959 H THR 122 H THR 122 22.083 7.748 9.502 960 HA THR 122 HA THR 122 22.775 8.625 12.138 961 HB THR 122 HB THR 122 23.079 10.198 9.577 962 HG1 THR 122 HG1 THR 122 24.165 8.399 9.066 963 HG21 THR 122 HG21 THR 122 24.658 10.169 12.154 964 HG22 THR 122 HG22 THR 122 23.536 11.432 11.640 965 HG23 THR 122 HG23 THR 122 25.025 11.151 10.736 966 H LEU 123 H LEU 123 20.868 9.068 13.213 967 HA LEU 123 HA LEU 123 18.953 10.868 12.011 968 HB2 LEU 123 HB2 LEU 123 18.952 9.604 14.755 969 HB3 LEU 123 HB3 LEU 123 17.623 10.498 14.039 970 HG LEU 123 HG LEU 123 18.697 7.809 13.204 971 HD11 LEU 123 HD11 LEU 123 16.364 7.123 13.537 972 HD12 LEU 123 HD12 LEU 123 15.987 8.748 14.113 973 HD13 LEU 123 HD13 LEU 123 17.115 7.733 15.014 974 HD21 LEU 123 HD21 LEU 123 17.112 7.845 11.365 975 HD22 LEU 123 HD22 LEU 123 18.303 9.136 11.197 976 HD23 LEU 123 HD23 LEU 123 16.673 9.506 11.762 977 H ILE 124 H ILE 124 19.244 12.918 12.038 978 HA ILE 124 HA ILE 124 21.120 14.157 13.864 979 HB ILE 124 HB ILE 124 19.454 15.534 11.751 980 HG12 ILE 124 HG12 ILE 124 22.230 14.382 11.391 981 HG13 ILE 124 HG13 ILE 124 20.765 13.567 10.849 982 HG21 ILE 124 HG21 ILE 124 22.112 16.224 13.006 983 HG22 ILE 124 HG22 ILE 124 20.563 16.979 13.384 984 HG23 ILE 124 HG23 ILE 124 21.268 17.169 11.778 985 HD11 ILE 124 HD11 ILE 124 21.774 16.242 9.907 986 HD12 ILE 124 HD12 ILE 124 20.270 15.478 9.390 987 HD13 ILE 124 HD13 ILE 124 21.819 14.722 9.012 988 H THR 125 H THR 125 20.079 14.068 15.848 989 HA THR 125 HA THR 125 17.432 15.081 16.219 990 HB THR 125 HB THR 125 19.473 14.681 18.401 991 HG1 THR 125 HG1 THR 125 19.460 12.629 17.915 992 HG21 THR 125 HG21 THR 125 16.466 14.395 18.330 993 HG22 THR 125 HG22 THR 125 17.356 15.741 19.040 994 HG23 THR 125 HG23 THR 125 17.496 14.127 19.738 995 H CYS 126 H CYS 126 17.551 17.200 15.343 996 HA CYS 126 HA CYS 126 19.270 19.137 16.603 997 HB2 CYS 126 HB2 CYS 126 16.926 19.559 14.729 998 HB3 CYS 126 HB3 CYS 126 18.106 20.781 15.194 999 H ASP 127 H ASP 127 18.628 18.607 18.753 1000 HA ASP 127 HA ASP 127 15.909 19.092 19.623 1001 HB2 ASP 127 HB2 ASP 127 17.696 17.347 20.502 1002 HB3 ASP 127 HB3 ASP 127 18.196 18.693 21.518 1003 H ASP 128 H ASP 128 18.655 20.903 19.104 1004 HA ASP 128 HA ASP 128 18.352 22.704 21.368 1005 HB2 ASP 128 HB2 ASP 128 20.446 23.695 20.511 1006 HB3 ASP 128 HB3 ASP 128 20.589 21.955 20.743 1007 H TYR 129 H TYR 129 16.375 22.610 19.060 1008 HA TYR 129 HA TYR 129 16.708 25.417 18.250 1009 HB2 TYR 129 HB2 TYR 129 16.781 23.807 16.355 1010 HB3 TYR 129 HB3 TYR 129 15.146 23.294 16.769 1011 HD1 TYR 129 HD1 TYR 129 16.825 26.620 16.414 1012 HD2 TYR 129 HD2 TYR 129 13.596 24.101 15.246 1013 HE1 TYR 129 HE1 TYR 129 15.914 28.438 15.033 1014 HE2 TYR 129 HE2 TYR 129 12.682 25.915 13.854 1015 HH TYR 129 HH TYR 129 12.797 28.407 13.740 1016 H ASN 130 H ASN 130 15.654 26.290 20.047 1017 HA ASN 130 HA ASN 130 12.754 25.758 20.127 1018 HB2 ASN 130 HB2 ASN 130 14.262 25.895 22.252 1019 HB3 ASN 130 HB3 ASN 130 14.211 27.632 21.984 1020 HD21 ASN 130 HD21 ASN 130 11.423 27.525 20.965 1021 HD22 ASN 130 HD22 ASN 130 10.434 27.268 22.358 1022 H GLU 131 H GLU 131 11.896 26.855 18.440 1023 HA GLU 131 HA GLU 131 13.123 29.023 17.202 1024 HB2 GLU 131 HB2 GLU 131 10.731 29.318 16.163 1025 HB3 GLU 131 HB3 GLU 131 11.733 27.935 15.765 1026 HG2 GLU 131 HG2 GLU 131 9.480 27.205 16.109 1027 HG3 GLU 131 HG3 GLU 131 10.482 26.592 17.419 1028 H LYS 132 H LYS 132 10.531 29.050 19.609 1029 HA LYS 132 HA LYS 132 9.850 31.763 19.367 1030 HB2 LYS 132 HB2 LYS 132 8.650 29.829 20.610 1031 HB3 LYS 132 HB3 LYS 132 9.691 30.243 21.957 1032 HG2 LYS 132 HG2 LYS 132 7.906 32.261 20.628 1033 HG3 LYS 132 HG3 LYS 132 7.364 31.239 21.956 1034 HD2 LYS 132 HD2 LYS 132 9.098 32.156 23.395 1035 HD3 LYS 132 HD3 LYS 132 9.715 33.129 22.060 1036 HE2 LYS 132 HE2 LYS 132 8.339 34.479 23.550 1037 HE3 LYS 132 HE3 LYS 132 7.590 34.340 21.960 1038 HZ1 LYS 132 HZ1 LYS 132 6.855 32.643 24.285 1039 HZ2 LYS 132 HZ2 LYS 132 6.053 32.749 22.796 1040 HZ3 LYS 132 HZ3 LYS 132 6.038 34.065 23.859 1041 H THR 133 H THR 133 11.925 30.187 21.793 1042 HA THR 133 HA THR 133 12.640 32.764 22.883 1043 HB THR 133 HB THR 133 13.946 31.368 24.528 1044 HG1 THR 133 HG1 THR 133 13.397 29.079 24.447 1045 HG21 THR 133 HG21 THR 133 11.637 32.093 24.966 1046 HG22 THR 133 HG22 THR 133 11.956 30.498 25.654 1047 HG23 THR 133 HG23 THR 133 11.035 30.646 24.153 1048 H GLY 134 H GLY 134 14.004 30.426 20.732 1049 HA2 GLY 134 HA2 GLY 134 15.850 30.616 19.363 1050 HA3 GLY 134 HA3 GLY 134 16.173 32.188 20.077 1051 H VAL 135 H VAL 135 15.909 29.036 21.695 1052 HA VAL 135 HA VAL 135 18.650 29.477 22.624 1053 HB VAL 135 HB VAL 135 17.035 29.648 24.437 1054 HG11 VAL 135 HG11 VAL 135 16.330 26.814 23.722 1055 HG12 VAL 135 HG12 VAL 135 15.288 28.229 23.577 1056 HG13 VAL 135 HG13 VAL 135 15.785 27.658 25.170 1057 HG21 VAL 135 HG21 VAL 135 19.247 28.828 24.979 1058 HG22 VAL 135 HG22 VAL 135 18.754 27.177 24.596 1059 HG23 VAL 135 HG23 VAL 135 18.040 28.013 25.977 1060 H TRP 136 H TRP 136 20.108 27.881 22.653 1061 HA TRP 136 HA TRP 136 19.347 25.286 21.507 1062 HB2 TRP 136 HB2 TRP 136 21.477 25.224 20.291 1063 HB3 TRP 136 HB3 TRP 136 20.526 26.619 19.798 1064 HD1 TRP 136 HD1 TRP 136 23.767 25.682 21.587 1065 HE1 TRP 136 HE1 TRP 136 25.223 27.792 21.840 1066 HE3 TRP 136 HE3 TRP 136 20.381 29.184 20.026 1067 HZ2 TRP 136 HZ2 TRP 136 24.959 30.572 21.427 1068 HZ3 TRP 136 HZ3 TRP 136 21.066 31.545 19.985 1069 HH2 TRP 136 HH2 TRP 136 23.307 32.223 20.671 1070 H GLU 137 H GLU 137 20.562 23.502 22.271 1071 HA GLU 137 HA GLU 137 22.325 24.051 24.546 1072 HB2 GLU 137 HB2 GLU 137 20.285 21.828 24.393 1073 HB3 GLU 137 HB3 GLU 137 21.425 22.084 25.706 1074 HG2 GLU 137 HG2 GLU 137 20.360 24.308 26.079 1075 HG3 GLU 137 HG3 GLU 137 19.135 23.850 24.900 1076 H LYS 138 H LYS 138 21.394 20.881 23.376 1077 HA LYS 138 HA LYS 138 24.014 20.443 22.181 1078 HB2 LYS 138 HB2 LYS 138 22.977 18.924 24.591 1079 HB3 LYS 138 HB3 LYS 138 24.375 18.439 23.639 1080 HG2 LYS 138 HG2 LYS 138 25.716 19.981 24.578 1081 HG3 LYS 138 HG3 LYS 138 24.444 21.199 24.648 1082 HD2 LYS 138 HD2 LYS 138 24.850 20.749 26.886 1083 HD3 LYS 138 HD3 LYS 138 23.454 19.738 26.530 1084 HE2 LYS 138 HE2 LYS 138 26.304 18.761 26.500 1085 HE3 LYS 138 HE3 LYS 138 25.233 18.635 27.893 1086 HZ1 LYS 138 HZ1 LYS 138 25.098 16.587 26.831 1087 HZ2 LYS 138 HZ2 LYS 138 25.035 17.266 25.280 1088 HZ3 LYS 138 HZ3 LYS 138 23.692 17.386 26.318 1089 H ARG 139 H ARG 139 23.973 18.869 20.616 1090 HA ARG 139 HA ARG 139 21.347 17.656 20.093 1091 HB2 ARG 139 HB2 ARG 139 23.695 17.967 18.212 1092 HB3 ARG 139 HB3 ARG 139 22.083 17.403 17.789 1093 HG2 ARG 139 HG2 ARG 139 21.153 19.568 18.276 1094 HG3 ARG 139 HG3 ARG 139 22.721 20.147 18.840 1095 HD2 ARG 139 HD2 ARG 139 23.637 19.794 16.576 1096 HD3 ARG 139 HD3 ARG 139 22.036 19.288 16.028 1097 HE ARG 139 HE ARG 139 21.905 21.821 17.295 1098 HH11 ARG 139 HH11 ARG 139 22.867 20.325 14.276 1099 HH12 ARG 139 HH12 ARG 139 22.594 21.757 13.345 1100 HH21 ARG 139 HH21 ARG 139 21.558 23.670 16.116 1101 HH22 ARG 139 HH22 ARG 139 21.842 23.686 14.401 1102 H LYS 140 H LYS 140 21.247 15.685 21.004 1103 HA LYS 140 HA LYS 140 23.534 13.956 21.080 1104 HB2 LYS 140 HB2 LYS 140 21.886 12.239 21.913 1105 HB3 LYS 140 HB3 LYS 140 21.992 13.694 22.888 1106 HG2 LYS 140 HG2 LYS 140 19.758 13.627 22.825 1107 HG3 LYS 140 HG3 LYS 140 19.942 14.326 21.218 1108 HD2 LYS 140 HD2 LYS 140 18.440 12.469 21.038 1109 HD3 LYS 140 HD3 LYS 140 19.968 12.002 20.292 1110 HE2 LYS 140 HE2 LYS 140 19.166 10.168 21.610 1111 HE3 LYS 140 HE3 LYS 140 20.587 10.850 22.398 1112 HZ1 LYS 140 HZ1 LYS 140 18.842 10.358 23.993 1113 HZ2 LYS 140 HZ2 LYS 140 17.766 11.374 23.172 1114 HZ3 LYS 140 HZ3 LYS 140 19.131 12.028 23.934 1115 H ILE 141 H ILE 141 24.296 13.298 19.158 1116 HA ILE 141 HA ILE 141 22.626 12.857 16.939 1117 HB ILE 141 HB ILE 141 24.900 13.557 16.625 1118 HG12 ILE 141 HG12 ILE 141 24.572 10.750 15.632 1119 HG13 ILE 141 HG13 ILE 141 23.766 12.154 14.945 1120 HG21 ILE 141 HG21 ILE 141 25.722 10.924 17.835 1121 HG22 ILE 141 HG22 ILE 141 25.965 12.520 18.545 1122 HG23 ILE 141 HG23 ILE 141 26.806 12.078 17.061 1123 HD11 ILE 141 HD11 ILE 141 25.729 11.530 13.645 1124 HD12 ILE 141 HD12 ILE 141 26.739 11.722 15.082 1125 HD13 ILE 141 HD13 ILE 141 25.926 13.121 14.382 1126 H PHE 142 H PHE 142 21.516 11.175 16.445 1127 HA PHE 142 HA PHE 142 21.816 8.791 18.121 1128 HB2 PHE 142 HB2 PHE 142 19.673 9.814 18.404 1129 HB3 PHE 142 HB3 PHE 142 19.441 9.971 16.671 1130 HD1 PHE 142 HD1 PHE 142 20.793 6.810 17.784 1131 HD2 PHE 142 HD2 PHE 142 17.211 9.001 17.112 1132 HE1 PHE 142 HE1 PHE 142 19.519 4.710 17.734 1133 HE2 PHE 142 HE2 PHE 142 15.928 6.905 17.076 1134 HZ PHE 142 HZ PHE 142 17.083 4.755 17.380 1135 H VAL 143 H VAL 143 23.306 7.656 17.030 1136 HA VAL 143 HA VAL 143 22.675 6.898 14.264 1137 HB VAL 143 HB VAL 143 25.248 6.548 15.806 1138 HG11 VAL 143 HG11 VAL 143 26.214 5.878 13.658 1139 HG12 VAL 143 HG12 VAL 143 24.625 6.000 12.904 1140 HG13 VAL 143 HG13 VAL 143 24.919 4.789 14.151 1141 HG21 VAL 143 HG21 VAL 143 24.540 8.479 13.598 1142 HG22 VAL 143 HG22 VAL 143 26.149 8.258 14.290 1143 HG23 VAL 143 HG23 VAL 143 24.836 8.882 15.290 1144 H ALA 144 H ALA 144 21.333 5.202 14.350 1145 HA ALA 144 HA ALA 144 21.879 3.081 16.287 1146 HB1 ALA 144 HB1 ALA 144 19.581 3.912 16.167 1147 HB2 ALA 144 HB2 ALA 144 19.696 2.204 15.745 1148 HB3 ALA 144 HB3 ALA 144 19.497 3.414 14.475 1149 H THR 145 H THR 145 22.872 1.295 15.717 1150 HA THR 145 HA THR 145 23.492 0.907 12.883 1151 HB THR 145 HB THR 145 24.679 -0.605 15.207 1152 HG1 THR 145 HG1 THR 145 25.020 2.029 14.430 1153 HG21 THR 145 HG21 THR 145 25.106 -1.537 12.986 1154 HG22 THR 145 HG22 THR 145 26.586 -0.861 13.667 1155 HG23 THR 145 HG23 THR 145 25.698 0.029 12.432 1156 H GLU 146 H GLU 146 22.961 -0.921 11.759 1157 HA GLU 146 HA GLU 146 20.615 -2.274 12.479 1158 HB2 GLU 146 HB2 GLU 146 21.441 -1.892 10.150 1159 HB3 GLU 146 HB3 GLU 146 22.646 -3.143 10.417 1160 HG2 GLU 146 HG2 GLU 146 20.903 -4.791 10.741 1161 HG3 GLU 146 HG3 GLU 146 19.668 -3.548 10.554 1162 H VAL 147 H VAL 147 20.275 -3.898 13.780 1163 HA VAL 147 HA VAL 147 22.389 -5.860 14.236 1164 HB VAL 147 HB VAL 147 22.391 -4.393 16.092 1165 HG11 VAL 147 HG11 VAL 147 20.198 -3.443 15.889 1166 HG12 VAL 147 HG12 VAL 147 20.449 -4.041 17.529 1167 HG13 VAL 147 HG13 VAL 147 19.476 -4.971 16.388 1168 HG21 VAL 147 HG21 VAL 147 22.736 -6.768 16.588 1169 HG22 VAL 147 HG22 VAL 147 21.017 -6.902 16.971 1170 HG23 VAL 147 HG23 VAL 147 22.063 -5.869 17.950 1171 H LYS 148 H LYS 148 21.534 -7.797 15.285 1172 HA LYS 148 HA LYS 148 18.814 -8.461 14.471 1173 HB2 LYS 148 HB2 LYS 148 19.643 -10.598 13.452 1174 HB3 LYS 148 HB3 LYS 148 20.047 -9.142 12.560 1175 HG2 LYS 148 HG2 LYS 148 22.047 -10.196 12.458 1176 HG3 LYS 148 HG3 LYS 148 22.266 -9.320 13.976 1177 HD2 LYS 148 HD2 LYS 148 21.646 -11.302 15.236 1178 HD3 LYS 148 HD3 LYS 148 21.326 -12.181 13.740 1179 HE2 LYS 148 HE2 LYS 148 23.498 -12.792 14.630 1180 HE3 LYS 148 HE3 LYS 148 23.679 -11.934 13.101 1181 HZ1 LYS 148 HZ1 LYS 148 24.126 -9.898 14.411 1182 HZ2 LYS 148 HZ2 LYS 148 25.286 -11.108 14.630 1183 HZ3 LYS 148 HZ3 LYS 148 24.115 -10.835 15.826 1184 H6 2W7 201 H6 2W7 201 18.581 23.041 13.167 1185 H7 2W7 201 H7 2W7 201 20.384 24.739 13.137 1186 H8 2W7 201 H8 2W7 201 22.491 24.291 11.913 1187 H9 2W7 201 H9 2W7 201 22.790 22.157 10.691 1188 H3 2W7 201 H3 2W7 201 22.698 19.536 11.395 1189 H122 2W7 201 H122 2W7 201 22.279 18.407 8.843 1190 H121 2W7 201 H121 2W7 201 23.090 19.974 8.644 1191 H4 2W7 201 H4 2W7 201 23.320 16.710 9.992 1192 HZ12 2W7 201 HZ12 2W7 201 24.581 14.609 9.327 1193 HZ11 2W7 201 HZ11 2W7 201 24.434 14.780 11.087 1194 HY1 2W7 201 HY1 2W7 201 26.119 13.074 10.492 1195 HX22 2W7 201 HX22 2W7 201 28.185 13.754 9.349 1196 HX21 2W7 201 HX21 2W7 201 26.759 14.005 8.311 1197 HY3 2W7 201 HY3 2W7 201 28.270 15.982 8.241 1198 HZ21 2W7 201 HZ21 2W7 201 25.834 16.307 8.015 1199 HZ22 2W7 201 HZ22 2W7 201 26.599 17.682 8.832 1200 HX31 2W7 201 HX31 2W7 201 29.246 15.689 10.485 1201 HX32 2W7 201 HX32 2W7 201 28.590 17.324 10.283 1202 HY2 2W7 201 HY2 2W7 201 27.938 16.383 12.472 1203 HZ32 2W7 201 HZ32 2W7 201 26.397 17.927 11.318 1204 HZ31 2W7 201 HZ31 2W7 201 25.505 16.713 12.256 1205 HX12 2W7 201 HX12 2W7 201 28.000 14.011 11.808 1206 HX11 2W7 201 HX11 2W7 201 26.436 14.424 12.538 Start of MODEL 11 1 HA MET 1 HA MET 1 4.929 -6.123 -5.611 2 HB2 MET 1 HB2 MET 1 6.928 -5.401 -3.967 3 HB3 MET 1 HB3 MET 1 7.263 -4.291 -5.288 4 HG2 MET 1 HG2 MET 1 5.894 -3.209 -3.635 5 HG3 MET 1 HG3 MET 1 4.974 -3.427 -5.124 6 HE1 MET 1 HE1 MET 1 3.734 -2.747 -2.224 7 HE2 MET 1 HE2 MET 1 2.314 -3.795 -2.209 8 HE3 MET 1 HE3 MET 1 2.734 -2.899 -3.668 9 H GLN 2 H GLN 2 4.637 -4.045 -6.990 10 HA GLN 2 HA GLN 2 5.570 -4.645 -9.641 11 HB2 GLN 2 HB2 GLN 2 3.918 -2.330 -8.630 12 HB3 GLN 2 HB3 GLN 2 4.245 -2.662 -10.325 13 HG2 GLN 2 HG2 GLN 2 2.622 -4.301 -8.402 14 HG3 GLN 2 HG3 GLN 2 2.072 -3.468 -9.855 15 HE21 GLN 2 HE21 GLN 2 2.639 -4.324 -11.892 16 HE22 GLN 2 HE22 GLN 2 3.090 -5.987 -12.074 17 H ALA 3 H ALA 3 6.572 -2.704 -7.091 18 HA ALA 3 HA ALA 3 8.921 -1.859 -8.505 19 HB1 ALA 3 HB1 ALA 3 7.356 -0.076 -9.149 20 HB2 ALA 3 HB2 ALA 3 8.639 0.534 -8.105 21 HB3 ALA 3 HB3 ALA 3 7.029 0.248 -7.447 22 H LYS 4 H LYS 4 10.578 -1.242 -7.069 23 HA LYS 4 HA LYS 4 10.118 -2.115 -4.337 24 HB2 LYS 4 HB2 LYS 4 12.540 -1.920 -4.059 25 HB3 LYS 4 HB3 LYS 4 12.155 -2.855 -5.497 26 HG2 LYS 4 HG2 LYS 4 12.659 -0.958 -6.910 27 HG3 LYS 4 HG3 LYS 4 12.941 0.052 -5.491 28 HD2 LYS 4 HD2 LYS 4 14.797 -1.421 -4.836 29 HD3 LYS 4 HD3 LYS 4 14.530 -2.383 -6.292 30 HE2 LYS 4 HE2 LYS 4 15.028 -0.441 -7.679 31 HE3 LYS 4 HE3 LYS 4 15.256 0.547 -6.235 32 HZ1 LYS 4 HZ1 LYS 4 17.121 -0.841 -5.609 33 HZ2 LYS 4 HZ2 LYS 4 17.362 -0.220 -7.168 34 HZ3 LYS 4 HZ3 LYS 4 16.881 -1.831 -6.966 35 HA PRO 5 HA PRO 5 9.437 1.977 -2.791 36 HB2 PRO 5 HB2 PRO 5 10.092 1.510 -0.174 37 HB3 PRO 5 HB3 PRO 5 8.542 1.064 -0.895 38 HG2 PRO 5 HG2 PRO 5 10.944 -0.635 -0.364 39 HG3 PRO 5 HG3 PRO 5 9.227 -1.022 -0.148 40 HD2 PRO 5 HD2 PRO 5 10.647 -1.899 -2.274 41 HD3 PRO 5 HD3 PRO 5 8.922 -1.496 -2.385 42 H GLN 6 H GLN 6 10.855 3.508 -3.322 43 HA GLN 6 HA GLN 6 13.543 3.397 -2.113 44 HB2 GLN 6 HB2 GLN 6 12.684 4.544 -4.776 45 HB3 GLN 6 HB3 GLN 6 14.268 4.812 -4.063 46 HG2 GLN 6 HG2 GLN 6 13.128 2.120 -4.790 47 HG3 GLN 6 HG3 GLN 6 14.273 3.043 -5.764 48 HE21 GLN 6 HE21 GLN 6 13.827 1.158 -2.872 49 HE22 GLN 6 HE22 GLN 6 15.508 0.925 -2.538 50 H ILE 7 H ILE 7 14.326 6.003 -2.691 51 HA ILE 7 HA ILE 7 12.435 7.524 -1.023 52 HB ILE 7 HB ILE 7 15.425 7.896 -1.268 53 HG12 ILE 7 HG12 ILE 7 13.749 6.864 1.033 54 HG13 ILE 7 HG13 ILE 7 14.746 5.865 -0.019 55 HG21 ILE 7 HG21 ILE 7 15.169 9.521 0.548 56 HG22 ILE 7 HG22 ILE 7 13.419 9.306 0.495 57 HG23 ILE 7 HG23 ILE 7 14.264 10.008 -0.885 58 HD11 ILE 7 HD11 ILE 7 15.865 6.256 2.071 59 HD12 ILE 7 HD12 ILE 7 15.714 8.002 1.863 60 HD13 ILE 7 HD13 ILE 7 16.735 7.069 0.768 61 HA PRO 8 HA PRO 8 12.289 10.016 -4.784 62 HB2 PRO 8 HB2 PRO 8 9.787 10.903 -4.440 63 HB3 PRO 8 HB3 PRO 8 10.108 9.259 -5.005 64 HG2 PRO 8 HG2 PRO 8 9.332 10.212 -2.284 65 HG3 PRO 8 HG3 PRO 8 8.810 8.760 -3.156 66 HD2 PRO 8 HD2 PRO 8 10.773 8.826 -1.199 67 HD3 PRO 8 HD3 PRO 8 10.594 7.551 -2.418 68 H LYS 9 H LYS 9 11.341 12.419 -4.953 69 HA LYS 9 HA LYS 9 12.563 13.866 -2.730 70 HB2 LYS 9 HB2 LYS 9 12.612 15.776 -4.316 71 HB3 LYS 9 HB3 LYS 9 13.552 14.394 -4.840 72 HG2 LYS 9 HG2 LYS 9 11.738 13.761 -6.364 73 HG3 LYS 9 HG3 LYS 9 10.822 15.179 -5.845 74 HD2 LYS 9 HD2 LYS 9 12.604 16.636 -6.666 75 HD3 LYS 9 HD3 LYS 9 13.538 15.222 -7.163 76 HE2 LYS 9 HE2 LYS 9 11.752 14.603 -8.721 77 HE3 LYS 9 HE3 LYS 9 10.830 16.023 -8.227 78 HZ1 LYS 9 HZ1 LYS 9 13.522 16.091 -9.487 79 HZ2 LYS 9 HZ2 LYS 9 12.576 17.434 -9.074 80 HZ3 LYS 9 HZ3 LYS 9 12.059 16.377 -10.297 81 H ASP 10 H ASP 10 9.615 12.822 -3.464 82 HA ASP 10 HA ASP 10 8.282 15.276 -2.540 83 HB2 ASP 10 HB2 ASP 10 7.481 14.187 -4.695 84 HB3 ASP 10 HB3 ASP 10 6.915 12.847 -3.700 85 H LYS 11 H LYS 11 6.597 15.008 -0.889 86 HA LYS 11 HA LYS 11 7.656 13.149 1.108 87 HB2 LYS 11 HB2 LYS 11 5.942 15.536 1.728 88 HB3 LYS 11 HB3 LYS 11 7.091 14.711 2.760 89 HG2 LYS 11 HG2 LYS 11 8.246 16.619 2.279 90 HG3 LYS 11 HG3 LYS 11 8.834 15.554 1.002 91 HD2 LYS 11 HD2 LYS 11 7.181 16.508 -0.541 92 HD3 LYS 11 HD3 LYS 11 6.615 17.585 0.738 93 HE2 LYS 11 HE2 LYS 11 8.883 18.563 0.861 94 HE3 LYS 11 HE3 LYS 11 9.370 17.540 -0.491 95 HZ1 LYS 11 HZ1 LYS 11 7.635 18.608 -1.837 96 HZ2 LYS 11 HZ2 LYS 11 8.787 19.726 -1.278 97 HZ3 LYS 11 HZ3 LYS 11 7.264 19.635 -0.536 98 H SER 12 H SER 12 4.977 13.521 -0.877 99 HA SER 12 HA SER 12 2.931 12.772 0.981 100 HB2 SER 12 HB2 SER 12 1.538 12.426 -1.045 101 HB3 SER 12 HB3 SER 12 2.348 13.991 -1.048 102 HG SER 12 HG SER 12 3.805 13.244 -2.539 103 H LYS 13 H LYS 13 5.343 11.084 -0.733 104 HA LYS 13 HA LYS 13 3.954 8.520 -0.503 105 HB2 LYS 13 HB2 LYS 13 6.700 9.034 -1.657 106 HB3 LYS 13 HB3 LYS 13 5.693 7.612 -1.887 107 HG2 LYS 13 HG2 LYS 13 5.161 10.377 -2.960 108 HG3 LYS 13 HG3 LYS 13 5.690 8.971 -3.881 109 HD2 LYS 13 HD2 LYS 13 3.076 9.191 -2.391 110 HD3 LYS 13 HD3 LYS 13 3.278 9.417 -4.129 111 HE2 LYS 13 HE2 LYS 13 4.065 7.122 -4.349 112 HE3 LYS 13 HE3 LYS 13 3.919 6.892 -2.607 113 HZ1 LYS 13 HZ1 LYS 13 2.018 5.978 -3.802 114 HZ2 LYS 13 HZ2 LYS 13 1.669 7.504 -4.451 115 HZ3 LYS 13 HZ3 LYS 13 1.546 7.247 -2.780 116 H VAL 14 H VAL 14 4.078 7.708 1.523 117 HA VAL 14 HA VAL 14 6.254 8.275 3.277 118 HB VAL 14 HB VAL 14 4.144 6.123 3.525 119 HG11 VAL 14 HG11 VAL 14 4.704 6.115 5.895 120 HG12 VAL 14 HG12 VAL 14 5.968 7.312 5.608 121 HG13 VAL 14 HG13 VAL 14 6.110 5.693 4.917 122 HG21 VAL 14 HG21 VAL 14 3.190 8.374 3.391 123 HG22 VAL 14 HG22 VAL 14 4.245 8.898 4.703 124 HG23 VAL 14 HG23 VAL 14 2.998 7.686 5.004 125 H ALA 15 H ALA 15 8.198 7.599 2.686 126 HA ALA 15 HA ALA 15 8.662 5.186 1.239 127 HB1 ALA 15 HB1 ALA 15 10.051 7.185 0.945 128 HB2 ALA 15 HB2 ALA 15 11.015 5.779 1.403 129 HB3 ALA 15 HB3 ALA 15 10.634 7.018 2.601 130 H GLY 16 H GLY 16 8.840 6.119 4.621 131 HA2 GLY 16 HA2 GLY 16 9.117 3.354 5.383 132 HA3 GLY 16 HA3 GLY 16 10.540 4.325 5.723 133 H TYR 17 H TYR 17 9.372 3.116 7.766 134 HA TYR 17 HA TYR 17 8.009 5.300 9.208 135 HB2 TYR 17 HB2 TYR 17 7.162 2.565 8.817 136 HB3 TYR 17 HB3 TYR 17 7.458 2.864 10.524 137 HD1 TYR 17 HD1 TYR 17 5.554 4.113 7.589 138 HD2 TYR 17 HD2 TYR 17 5.934 4.064 11.826 139 HE1 TYR 17 HE1 TYR 17 3.366 5.222 7.797 140 HE2 TYR 17 HE2 TYR 17 3.759 5.178 12.043 141 HH TYR 17 HH TYR 17 2.267 6.572 10.733 142 H ILE 18 H ILE 18 8.728 5.733 11.271 143 HA ILE 18 HA ILE 18 10.988 4.106 12.217 144 HB ILE 18 HB ILE 18 11.724 6.370 11.674 145 HG12 ILE 18 HG12 ILE 18 12.662 7.004 13.900 146 HG13 ILE 18 HG13 ILE 18 11.600 5.810 14.644 147 HG21 ILE 18 HG21 ILE 18 9.653 7.583 11.921 148 HG22 ILE 18 HG22 ILE 18 10.895 8.318 12.932 149 HG23 ILE 18 HG23 ILE 18 9.658 7.292 13.660 150 HD11 ILE 18 HD11 ILE 18 13.841 4.938 14.369 151 HD12 ILE 18 HD12 ILE 18 13.767 5.247 12.633 152 HD13 ILE 18 HD13 ILE 18 12.698 4.048 13.363 153 H GLU 19 H GLU 19 10.435 2.863 13.832 154 HA GLU 19 HA GLU 19 8.358 3.782 15.705 155 HB2 GLU 19 HB2 GLU 19 8.716 0.950 14.695 156 HB3 GLU 19 HB3 GLU 19 7.472 1.517 15.800 157 HG2 GLU 19 HG2 GLU 19 6.542 2.930 14.037 158 HG3 GLU 19 HG3 GLU 19 7.790 2.369 12.928 159 H ILE 20 H ILE 20 9.211 4.037 17.621 160 HA ILE 20 HA ILE 20 11.313 2.176 18.524 161 HB ILE 20 HB ILE 20 11.090 5.097 19.282 162 HG12 ILE 20 HG12 ILE 20 13.038 3.742 17.405 163 HG13 ILE 20 HG13 ILE 20 11.724 4.803 16.914 164 HG21 ILE 20 HG21 ILE 20 13.316 4.754 20.263 165 HG22 ILE 20 HG22 ILE 20 13.232 3.043 19.842 166 HG23 ILE 20 HG23 ILE 20 12.100 3.721 21.016 167 HD11 ILE 20 HD11 ILE 20 12.773 6.662 18.060 168 HD12 ILE 20 HD12 ILE 20 13.881 5.935 16.897 169 HD13 ILE 20 HD13 ILE 20 14.070 5.604 18.618 170 HA PRO 21 HA PRO 21 7.832 1.413 21.349 171 HB2 PRO 21 HB2 PRO 21 9.204 -0.635 22.636 172 HB3 PRO 21 HB3 PRO 21 8.139 -0.834 21.243 173 HG2 PRO 21 HG2 PRO 21 11.114 -0.684 21.350 174 HG3 PRO 21 HG3 PRO 21 10.070 -1.658 20.300 175 HD2 PRO 21 HD2 PRO 21 11.311 0.564 19.417 176 HD3 PRO 21 HD3 PRO 21 9.703 0.089 18.832 177 H ASP 22 H ASP 22 11.227 1.781 22.164 178 HA ASP 22 HA ASP 22 10.940 2.148 24.943 179 HB2 ASP 22 HB2 ASP 22 13.069 2.883 22.958 180 HB3 ASP 22 HB3 ASP 22 13.183 3.428 24.627 181 H ALA 23 H ALA 23 10.450 4.295 22.253 182 HA ALA 23 HA ALA 23 10.207 6.553 24.129 183 HB1 ALA 23 HB1 ALA 23 12.102 6.832 22.626 184 HB2 ALA 23 HB2 ALA 23 10.853 8.038 22.311 185 HB3 ALA 23 HB3 ALA 23 11.032 6.650 21.236 186 H ASP 24 H ASP 24 8.322 4.468 22.658 187 HA ASP 24 HA ASP 24 6.146 4.417 22.012 188 HB2 ASP 24 HB2 ASP 24 6.211 7.192 23.195 189 HB3 ASP 24 HB3 ASP 24 4.739 6.471 22.556 190 H ILE 25 H ILE 25 8.317 5.536 20.226 191 HA ILE 25 HA ILE 25 6.917 7.457 18.568 192 HB ILE 25 HB ILE 25 9.624 6.155 18.215 193 HG12 ILE 25 HG12 ILE 25 8.850 8.924 19.165 194 HG13 ILE 25 HG13 ILE 25 9.469 7.625 20.185 195 HG21 ILE 25 HG21 ILE 25 8.729 6.821 16.064 196 HG22 ILE 25 HG22 ILE 25 10.033 7.912 16.537 197 HG23 ILE 25 HG23 ILE 25 8.353 8.426 16.689 198 HD11 ILE 25 HD11 ILE 25 10.958 8.979 17.944 199 HD12 ILE 25 HD12 ILE 25 11.578 7.681 18.965 200 HD13 ILE 25 HD13 ILE 25 11.196 9.250 19.672 201 H LYS 26 H LYS 26 5.929 7.039 16.667 202 HA LYS 26 HA LYS 26 6.329 4.577 15.242 203 HB2 LYS 26 HB2 LYS 26 4.669 4.156 17.211 204 HB3 LYS 26 HB3 LYS 26 3.530 5.059 16.222 205 HG2 LYS 26 HG2 LYS 26 3.847 3.438 14.408 206 HG3 LYS 26 HG3 LYS 26 4.946 2.522 15.444 207 HD2 LYS 26 HD2 LYS 26 3.099 2.280 17.087 208 HD3 LYS 26 HD3 LYS 26 2.021 3.064 15.929 209 HE2 LYS 26 HE2 LYS 26 3.473 0.446 15.608 210 HE3 LYS 26 HE3 LYS 26 1.733 0.696 15.738 211 HZ1 LYS 26 HZ1 LYS 26 3.526 1.260 13.468 212 HZ2 LYS 26 HZ2 LYS 26 2.073 2.124 13.633 213 HZ3 LYS 26 HZ3 LYS 26 2.037 0.436 13.486 214 H GLU 27 H GLU 27 6.961 6.652 14.031 215 HA GLU 27 HA GLU 27 4.613 7.817 12.682 216 HB2 GLU 27 HB2 GLU 27 7.051 9.158 13.818 217 HB3 GLU 27 HB3 GLU 27 6.131 9.906 12.519 218 HG2 GLU 27 HG2 GLU 27 4.902 9.035 15.118 219 HG3 GLU 27 HG3 GLU 27 5.556 10.652 14.843 220 HA PRO 28 HA PRO 28 6.700 6.905 8.865 221 HB2 PRO 28 HB2 PRO 28 5.606 8.765 7.251 222 HB3 PRO 28 HB3 PRO 28 4.668 7.401 7.872 223 HG2 PRO 28 HG2 PRO 28 4.789 10.225 8.869 224 HG3 PRO 28 HG3 PRO 28 3.367 9.196 8.604 225 HD2 PRO 28 HD2 PRO 28 4.466 9.562 11.054 226 HD3 PRO 28 HD3 PRO 28 3.679 8.046 10.577 227 H VAL 29 H VAL 29 8.283 7.718 7.401 228 HA VAL 29 HA VAL 29 9.579 10.205 8.304 229 HB VAL 29 HB VAL 29 10.797 7.916 6.739 230 HG11 VAL 29 HG11 VAL 29 12.936 9.063 7.163 231 HG12 VAL 29 HG12 VAL 29 12.058 10.401 7.902 232 HG13 VAL 29 HG13 VAL 29 11.839 10.042 6.190 233 HG21 VAL 29 HG21 VAL 29 10.348 7.244 9.018 234 HG22 VAL 29 HG22 VAL 29 11.116 8.708 9.630 235 HG23 VAL 29 HG23 VAL 29 12.083 7.486 8.804 236 H TYR 30 H TYR 30 9.832 11.832 6.880 237 HA TYR 30 HA TYR 30 8.371 11.521 4.373 238 HB2 TYR 30 HB2 TYR 30 9.371 14.056 5.694 239 HB3 TYR 30 HB3 TYR 30 8.287 13.958 4.310 240 HD1 TYR 30 HD1 TYR 30 6.221 12.191 4.903 241 HD2 TYR 30 HD2 TYR 30 8.312 14.701 7.630 242 HE1 TYR 30 HE1 TYR 30 4.290 12.137 6.423 243 HE2 TYR 30 HE2 TYR 30 6.387 14.658 9.155 244 HH TYR 30 HH TYR 30 4.007 14.260 9.094 245 HA PRO 31 HA PRO 31 12.381 11.191 2.402 246 HB2 PRO 31 HB2 PRO 31 11.362 10.635 -0.063 247 HB3 PRO 31 HB3 PRO 31 11.558 9.423 1.208 248 HG2 PRO 31 HG2 PRO 31 9.111 10.920 0.372 249 HG3 PRO 31 HG3 PRO 31 9.284 9.213 0.817 250 HD2 PRO 31 HD2 PRO 31 8.297 11.076 2.517 251 HD3 PRO 31 HD3 PRO 31 9.221 9.665 3.080 252 H GLY 32 H GLY 32 13.569 12.508 1.081 253 HA2 GLY 32 HA2 GLY 32 13.272 14.147 -0.872 254 HA3 GLY 32 HA3 GLY 32 12.254 15.007 0.278 255 HA PRO 33 HA PRO 33 16.643 16.370 0.918 256 HB2 PRO 33 HB2 PRO 33 16.450 18.911 0.077 257 HB3 PRO 33 HB3 PRO 33 16.731 17.578 -1.050 258 HG2 PRO 33 HG2 PRO 33 14.215 19.070 -0.466 259 HG3 PRO 33 HG3 PRO 33 14.820 18.450 -2.012 260 HD2 PRO 33 HD2 PRO 33 12.900 17.217 -0.432 261 HD3 PRO 33 HD3 PRO 33 13.868 16.410 -1.680 262 H ALA 34 H ALA 34 17.298 17.357 2.779 263 HA ALA 34 HA ALA 34 15.396 18.052 4.737 264 HB1 ALA 34 HB1 ALA 34 17.610 17.186 5.301 265 HB2 ALA 34 HB2 ALA 34 17.289 18.724 6.101 266 HB3 ALA 34 HB3 ALA 34 18.344 18.669 4.690 267 H THR 35 H THR 35 14.517 19.922 5.308 268 HA THR 35 HA THR 35 15.544 22.479 4.597 269 HB THR 35 HB THR 35 14.734 21.840 2.391 270 HG1 THR 35 HG1 THR 35 12.676 23.513 2.747 271 HG21 THR 35 HG21 THR 35 12.381 21.322 1.983 272 HG22 THR 35 HG22 THR 35 12.059 21.405 3.716 273 HG23 THR 35 HG23 THR 35 13.121 20.148 3.076 274 HA PRO 36 HA PRO 36 13.403 23.777 8.199 275 HB2 PRO 36 HB2 PRO 36 12.282 25.913 6.426 276 HB3 PRO 36 HB3 PRO 36 12.988 26.052 8.041 277 HG2 PRO 36 HG2 PRO 36 14.411 26.685 5.887 278 HG3 PRO 36 HG3 PRO 36 15.157 25.840 7.256 279 HD2 PRO 36 HD2 PRO 36 14.438 24.811 4.570 280 HD3 PRO 36 HD3 PRO 36 15.708 24.273 5.685 281 H GLU 37 H GLU 37 11.342 24.070 5.284 282 HA GLU 37 HA GLU 37 8.872 24.065 6.529 283 HB2 GLU 37 HB2 GLU 37 9.416 22.691 3.899 284 HB3 GLU 37 HB3 GLU 37 7.915 23.416 4.438 285 HG2 GLU 37 HG2 GLU 37 8.704 24.979 2.958 286 HG3 GLU 37 HG3 GLU 37 9.270 25.613 4.503 287 H GLN 38 H GLN 38 10.921 21.344 5.680 288 HA GLN 38 HA GLN 38 8.958 19.334 6.175 289 HB2 GLN 38 HB2 GLN 38 11.944 19.295 5.818 290 HB3 GLN 38 HB3 GLN 38 11.058 17.840 6.246 291 HG2 GLN 38 HG2 GLN 38 10.644 19.508 3.777 292 HG3 GLN 38 HG3 GLN 38 11.467 17.950 3.863 293 HE21 GLN 38 HE21 GLN 38 10.227 16.083 4.367 294 HE22 GLN 38 HE22 GLN 38 8.530 16.047 4.050 295 H LEU 39 H LEU 39 11.912 20.240 7.940 296 HA LEU 39 HA LEU 39 11.371 18.506 10.106 297 HB2 LEU 39 HB2 LEU 39 13.309 20.797 9.817 298 HB3 LEU 39 HB3 LEU 39 13.283 19.703 11.185 299 HG LEU 39 HG LEU 39 15.004 18.917 9.808 300 HD11 LEU 39 HD11 LEU 39 14.242 16.742 9.005 301 HD12 LEU 39 HD12 LEU 39 12.571 17.280 9.169 302 HD13 LEU 39 HD13 LEU 39 13.594 17.129 10.599 303 HD21 LEU 39 HD21 LEU 39 14.866 18.547 7.434 304 HD22 LEU 39 HD22 LEU 39 14.441 20.218 7.802 305 HD23 LEU 39 HD23 LEU 39 13.177 19.049 7.427 306 H ASN 40 H ASN 40 10.073 21.477 9.314 307 HA ASN 40 HA ASN 40 9.513 22.533 11.888 308 HB2 ASN 40 HB2 ASN 40 9.269 23.828 9.781 309 HB3 ASN 40 HB3 ASN 40 7.931 22.787 9.311 310 HD21 ASN 40 HD21 ASN 40 6.341 24.272 9.267 311 HD22 ASN 40 HD22 ASN 40 5.788 25.147 10.657 312 H ARG 41 H ARG 41 8.096 20.036 9.893 313 HA ARG 41 HA ARG 41 5.829 19.821 11.762 314 HB2 ARG 41 HB2 ARG 41 5.944 18.794 8.928 315 HB3 ARG 41 HB3 ARG 41 4.532 18.881 9.969 316 HG2 ARG 41 HG2 ARG 41 4.761 21.360 9.964 317 HG3 ARG 41 HG3 ARG 41 6.053 21.186 8.773 318 HD2 ARG 41 HD2 ARG 41 4.053 21.656 7.579 319 HD3 ARG 41 HD3 ARG 41 4.419 19.950 7.327 320 HE ARG 41 HE ARG 41 2.600 20.516 9.512 321 HH11 ARG 41 HH11 ARG 41 2.919 19.742 6.106 322 HH12 ARG 41 HH12 ARG 41 1.305 19.113 5.968 323 HH21 ARG 41 HH21 ARG 41 0.487 19.692 9.335 324 HH22 ARG 41 HH22 ARG 41 -0.096 19.117 7.801 325 H GLY 42 H GLY 42 8.329 17.977 10.065 326 HA2 GLY 42 HA2 GLY 42 8.019 15.809 11.963 327 HA3 GLY 42 HA3 GLY 42 7.523 15.410 10.327 328 H VAL 43 H VAL 43 9.255 13.787 10.757 329 HA VAL 43 HA VAL 43 11.982 14.758 10.536 330 HB VAL 43 HB VAL 43 11.516 12.871 12.017 331 HG11 VAL 43 HG11 VAL 43 10.879 10.688 11.127 332 HG12 VAL 43 HG12 VAL 43 10.674 11.407 9.529 333 HG13 VAL 43 HG13 VAL 43 9.626 11.900 10.861 334 HG21 VAL 43 HG21 VAL 43 13.224 11.319 11.239 335 HG22 VAL 43 HG22 VAL 43 13.722 12.997 11.020 336 HG23 VAL 43 HG23 VAL 43 13.161 12.055 9.638 337 H SER 44 H SER 44 13.378 14.289 8.813 338 HA SER 44 HA SER 44 12.252 13.148 6.373 339 HB2 SER 44 HB2 SER 44 13.462 15.925 6.531 340 HB3 SER 44 HB3 SER 44 13.062 15.079 5.030 341 HG SER 44 HG SER 44 10.967 15.059 6.735 342 H PHE 45 H PHE 45 14.202 13.274 4.628 343 HA PHE 45 HA PHE 45 16.503 12.144 6.023 344 HB2 PHE 45 HB2 PHE 45 15.638 12.092 3.140 345 HB3 PHE 45 HB3 PHE 45 17.241 11.558 3.644 346 HD1 PHE 45 HD1 PHE 45 17.390 9.717 5.388 347 HD2 PHE 45 HD2 PHE 45 13.806 10.659 3.300 348 HE1 PHE 45 HE1 PHE 45 16.472 7.515 5.983 349 HE2 PHE 45 HE2 PHE 45 12.879 8.457 3.891 350 HZ PHE 45 HZ PHE 45 14.212 6.888 5.242 351 H ALA 46 H ALA 46 18.637 12.827 5.652 352 HA ALA 46 HA ALA 46 18.730 15.723 5.224 353 HB1 ALA 46 HB1 ALA 46 20.807 15.666 6.498 354 HB2 ALA 46 HB2 ALA 46 20.718 13.906 6.575 355 HB3 ALA 46 HB3 ALA 46 19.498 14.887 7.385 356 H GLU 47 H GLU 47 20.763 12.879 4.506 357 HA GLU 47 HA GLU 47 22.304 14.484 2.647 358 HB2 GLU 47 HB2 GLU 47 22.654 11.644 3.605 359 HB3 GLU 47 HB3 GLU 47 23.754 12.467 2.509 360 HG2 GLU 47 HG2 GLU 47 24.067 14.203 4.299 361 HG3 GLU 47 HG3 GLU 47 23.175 13.130 5.378 362 H GLU 48 H GLU 48 23.166 12.677 0.828 363 HA GLU 48 HA GLU 48 21.031 12.757 -1.071 364 HB2 GLU 48 HB2 GLU 48 23.708 11.410 -1.428 365 HB3 GLU 48 HB3 GLU 48 22.656 12.056 -2.677 366 HG2 GLU 48 HG2 GLU 48 24.236 13.691 -2.582 367 HG3 GLU 48 HG3 GLU 48 23.068 14.318 -1.424 368 H ASN 49 H ASN 49 20.065 11.124 0.835 369 HA ASN 49 HA ASN 49 20.585 8.358 0.229 370 HB2 ASN 49 HB2 ASN 49 18.835 9.821 2.131 371 HB3 ASN 49 HB3 ASN 49 18.319 8.205 1.656 372 HD21 ASN 49 HD21 ASN 49 19.631 6.438 2.152 373 HD22 ASN 49 HD22 ASN 49 20.857 6.523 3.370 374 H GLU 50 H GLU 50 20.113 8.000 -1.906 375 HA GLU 50 HA GLU 50 17.426 8.571 -2.863 376 HB2 GLU 50 HB2 GLU 50 18.251 7.740 -5.030 377 HB3 GLU 50 HB3 GLU 50 19.294 8.999 -4.384 378 HG2 GLU 50 HG2 GLU 50 20.870 7.316 -3.608 379 HG3 GLU 50 HG3 GLU 50 19.824 6.037 -4.223 380 H SER 51 H SER 51 18.838 6.308 -1.086 381 HA SER 51 HA SER 51 16.896 4.264 -1.802 382 HB2 SER 51 HB2 SER 51 19.867 3.707 -1.595 383 HB3 SER 51 HB3 SER 51 18.608 2.486 -1.777 384 HG SER 51 HG SER 51 18.171 4.162 -3.708 385 H LEU 52 H LEU 52 15.973 3.468 -0.048 386 HA LEU 52 HA LEU 52 17.315 3.706 2.541 387 HB2 LEU 52 HB2 LEU 52 14.999 2.841 3.334 388 HB3 LEU 52 HB3 LEU 52 15.157 4.503 2.799 389 HG LEU 52 HG LEU 52 14.307 3.726 0.535 390 HD11 LEU 52 HD11 LEU 52 14.699 1.337 0.804 391 HD12 LEU 52 HD12 LEU 52 12.994 1.664 0.496 392 HD13 LEU 52 HD13 LEU 52 13.537 1.286 2.131 393 HD21 LEU 52 HD21 LEU 52 12.922 4.979 2.064 394 HD22 LEU 52 HD22 LEU 52 12.499 3.504 2.930 395 HD23 LEU 52 HD23 LEU 52 11.966 3.732 1.264 396 H ASP 53 H ASP 53 17.296 1.691 0.080 397 HA ASP 53 HA ASP 53 17.072 -0.827 1.531 398 HB2 ASP 53 HB2 ASP 53 15.972 -0.667 -0.648 399 HB3 ASP 53 HB3 ASP 53 17.484 -0.193 -1.407 400 H ASP 54 H ASP 54 19.332 1.446 1.204 401 HA ASP 54 HA ASP 54 21.593 -0.327 0.675 402 HB2 ASP 54 HB2 ASP 54 21.370 1.993 -0.390 403 HB3 ASP 54 HB3 ASP 54 21.730 2.645 1.206 404 H GLN 55 H GLN 55 23.431 1.288 2.338 405 HA GLN 55 HA GLN 55 22.682 0.006 4.873 406 HB2 GLN 55 HB2 GLN 55 25.174 0.054 5.334 407 HB3 GLN 55 HB3 GLN 55 24.633 -1.039 4.070 408 HG2 GLN 55 HG2 GLN 55 25.258 0.732 2.410 409 HG3 GLN 55 HG3 GLN 55 25.999 1.613 3.746 410 HE21 GLN 55 HE21 GLN 55 27.898 0.869 4.650 411 HE22 GLN 55 HE22 GLN 55 28.855 -0.374 3.900 412 H ASN 56 H ASN 56 24.088 3.002 3.541 413 HA ASN 56 HA ASN 56 24.111 4.143 6.212 414 HB2 ASN 56 HB2 ASN 56 25.113 6.130 5.219 415 HB3 ASN 56 HB3 ASN 56 25.977 4.690 4.703 416 HD21 ASN 56 HD21 ASN 56 24.020 7.363 3.730 417 HD22 ASN 56 HD22 ASN 56 24.164 7.116 2.026 418 H ILE 57 H ILE 57 22.418 5.039 7.082 419 HA ILE 57 HA ILE 57 20.404 6.284 5.329 420 HB ILE 57 HB ILE 57 19.997 4.709 7.874 421 HG12 ILE 57 HG12 ILE 57 20.260 3.350 5.849 422 HG13 ILE 57 HG13 ILE 57 18.617 3.245 6.474 423 HG21 ILE 57 HG21 ILE 57 18.494 6.497 8.086 424 HG22 ILE 57 HG22 ILE 57 17.543 5.154 7.447 425 HG23 ILE 57 HG23 ILE 57 18.070 6.449 6.372 426 HD11 ILE 57 HD11 ILE 57 18.600 3.402 4.067 427 HD12 ILE 57 HD12 ILE 57 19.533 4.898 4.132 428 HD13 ILE 57 HD13 ILE 57 17.889 4.853 4.772 429 H SER 58 H SER 58 20.799 8.421 5.538 430 HA SER 58 HA SER 58 21.405 9.468 8.206 431 HB2 SER 58 HB2 SER 58 21.650 10.842 5.522 432 HB3 SER 58 HB3 SER 58 22.270 11.429 7.066 433 HG SER 58 HG SER 58 23.990 10.469 6.114 434 H ILE 59 H ILE 59 19.510 9.792 9.231 435 HA ILE 59 HA ILE 59 17.308 11.102 7.799 436 HB ILE 59 HB ILE 59 17.110 10.039 10.606 437 HG12 ILE 59 HG12 ILE 59 16.772 8.395 8.084 438 HG13 ILE 59 HG13 ILE 59 18.090 8.222 9.237 439 HG21 ILE 59 HG21 ILE 59 15.132 10.298 8.342 440 HG22 ILE 59 HG22 ILE 59 15.256 11.361 9.746 441 HG23 ILE 59 HG23 ILE 59 14.768 9.681 9.952 442 HD11 ILE 59 HD11 ILE 59 15.178 7.746 9.825 443 HD12 ILE 59 HD12 ILE 59 16.513 7.544 10.959 444 HD13 ILE 59 HD13 ILE 59 16.397 6.504 9.542 445 H ALA 60 H ALA 60 16.476 13.053 8.508 446 HA ALA 60 HA ALA 60 17.935 14.387 10.701 447 HB1 ALA 60 HB1 ALA 60 16.850 15.662 8.187 448 HB2 ALA 60 HB2 ALA 60 18.551 15.374 8.550 449 HB3 ALA 60 HB3 ALA 60 17.623 16.513 9.524 450 H GLY 61 H GLY 61 16.689 15.313 12.267 451 HA2 GLY 61 HA2 GLY 61 13.820 15.635 11.783 452 HA3 GLY 61 HA3 GLY 61 14.293 14.467 13.007 453 H HIS 62 H HIS 62 12.731 16.845 13.404 454 HA HIS 62 HA HIS 62 14.548 18.453 15.051 455 HB2 HIS 62 HB2 HIS 62 13.075 19.690 13.494 456 HB3 HIS 62 HB3 HIS 62 11.667 18.981 14.276 457 HD1 HIS 62 HD1 HIS 62 10.645 21.089 15.226 458 HD2 HIS 62 HD2 HIS 62 14.650 20.604 16.260 459 HE1 HIS 62 HE1 HIS 62 11.126 22.852 16.958 460 H THR 63 H THR 63 14.831 17.402 16.937 461 HA THR 63 HA THR 63 12.572 16.129 18.217 462 HB THR 63 HB THR 63 14.602 14.872 18.282 463 HG1 THR 63 HG1 THR 63 13.161 15.334 20.334 464 HG21 THR 63 HG21 THR 63 16.227 16.652 18.086 465 HG22 THR 63 HG22 THR 63 16.593 15.653 19.493 466 HG23 THR 63 HG23 THR 63 15.826 17.227 19.701 467 H PHE 64 H PHE 64 11.224 17.565 19.020 468 HA PHE 64 HA PHE 64 12.327 19.733 20.670 469 HB2 PHE 64 HB2 PHE 64 10.995 20.267 18.523 470 HB3 PHE 64 HB3 PHE 64 9.582 19.747 19.432 471 HD1 PHE 64 HD1 PHE 64 12.547 21.936 20.008 472 HD2 PHE 64 HD2 PHE 64 8.336 21.445 20.324 473 HE1 PHE 64 HE1 PHE 64 12.359 24.200 20.954 474 HE2 PHE 64 HE2 PHE 64 8.137 23.705 21.272 475 HZ PHE 64 HZ PHE 64 10.152 25.087 21.587 476 H ILE 65 H ILE 65 12.393 18.672 22.573 477 HA ILE 65 HA ILE 65 10.488 16.937 23.635 478 HB ILE 65 HB ILE 65 12.732 17.067 24.530 479 HG12 ILE 65 HG12 ILE 65 10.626 17.842 26.566 480 HG13 ILE 65 HG13 ILE 65 11.022 16.210 26.032 481 HG21 ILE 65 HG21 ILE 65 13.470 18.959 25.908 482 HG22 ILE 65 HG22 ILE 65 11.983 19.818 25.511 483 HG23 ILE 65 HG23 ILE 65 13.146 19.442 24.241 484 HD11 ILE 65 HD11 ILE 65 13.224 16.404 27.027 485 HD12 ILE 65 HD12 ILE 65 11.963 16.708 28.221 486 HD13 ILE 65 HD13 ILE 65 12.863 18.056 27.525 487 H ASP 66 H ASP 66 10.574 20.404 23.533 488 HA ASP 66 HA ASP 66 8.759 20.939 25.632 489 HB2 ASP 66 HB2 ASP 66 9.506 22.564 23.199 490 HB3 ASP 66 HB3 ASP 66 8.499 23.163 24.513 491 H ARG 67 H ARG 67 8.173 19.338 22.780 492 HA ARG 67 HA ARG 67 5.328 20.005 22.947 493 HB2 ARG 67 HB2 ARG 67 7.052 20.068 20.502 494 HB3 ARG 67 HB3 ARG 67 5.354 19.629 20.364 495 HG2 ARG 67 HG2 ARG 67 6.389 22.188 21.562 496 HG3 ARG 67 HG3 ARG 67 5.746 22.008 19.927 497 HD2 ARG 67 HD2 ARG 67 3.608 21.240 20.887 498 HD3 ARG 67 HD3 ARG 67 4.256 21.515 22.502 499 HE ARG 67 HE ARG 67 4.072 23.810 22.180 500 HH11 ARG 67 HH11 ARG 67 3.254 22.073 19.256 501 HH12 ARG 67 HH12 ARG 67 2.448 23.420 18.520 502 HH21 ARG 67 HH21 ARG 67 3.024 25.580 21.238 503 HH22 ARG 67 HH22 ARG 67 2.317 25.433 19.647 504 HA PRO 68 HA PRO 68 5.564 15.521 23.245 505 HB2 PRO 68 HB2 PRO 68 2.752 15.781 24.044 506 HB3 PRO 68 HB3 PRO 68 4.114 15.117 24.953 507 HG2 PRO 68 HG2 PRO 68 2.952 17.461 25.608 508 HG3 PRO 68 HG3 PRO 68 4.682 17.160 25.849 509 HD2 PRO 68 HD2 PRO 68 3.306 18.696 23.675 510 HD3 PRO 68 HD3 PRO 68 4.804 19.078 24.551 511 H ASN 69 H ASN 69 3.606 17.590 21.391 512 HA ASN 69 HA ASN 69 2.225 15.469 19.971 513 HB2 ASN 69 HB2 ASN 69 2.296 18.430 19.350 514 HB3 ASN 69 HB3 ASN 69 1.163 17.245 18.713 515 HD21 ASN 69 HD21 ASN 69 -0.452 16.408 20.073 516 HD22 ASN 69 HD22 ASN 69 -0.923 17.249 21.516 517 H TYR 70 H TYR 70 5.276 16.416 19.972 518 HA TYR 70 HA TYR 70 5.708 16.534 17.094 519 HB2 TYR 70 HB2 TYR 70 7.133 17.429 19.394 520 HB3 TYR 70 HB3 TYR 70 8.149 16.259 18.560 521 HD1 TYR 70 HD1 TYR 70 8.411 16.629 15.982 522 HD2 TYR 70 HD2 TYR 70 7.154 19.636 18.715 523 HE1 TYR 70 HE1 TYR 70 9.110 18.365 14.386 524 HE2 TYR 70 HE2 TYR 70 7.847 21.380 17.128 525 HH TYR 70 HH TYR 70 8.378 20.899 13.973 526 H GLN 71 H GLN 71 6.981 14.994 15.984 527 HA GLN 71 HA GLN 71 6.435 12.316 16.605 528 HB2 GLN 71 HB2 GLN 71 8.472 13.502 14.716 529 HB3 GLN 71 HB3 GLN 71 8.050 11.796 14.774 530 HG2 GLN 71 HG2 GLN 71 5.730 12.364 14.217 531 HG3 GLN 71 HG3 GLN 71 6.186 14.063 14.114 532 HE21 GLN 71 HE21 GLN 71 5.085 12.213 12.116 533 HE22 GLN 71 HE22 GLN 71 6.197 12.249 10.786 534 H PHE 72 H PHE 72 9.210 14.343 17.296 535 HA PHE 72 HA PHE 72 10.385 12.097 18.790 536 HB2 PHE 72 HB2 PHE 72 11.859 14.277 17.296 537 HB3 PHE 72 HB3 PHE 72 12.620 13.086 18.345 538 HD1 PHE 72 HD1 PHE 72 12.452 10.652 17.733 539 HD2 PHE 72 HD2 PHE 72 11.375 13.779 15.061 540 HE1 PHE 72 HE1 PHE 72 12.644 9.092 15.839 541 HE2 PHE 72 HE2 PHE 72 11.561 12.227 13.165 542 HZ PHE 72 HZ PHE 72 12.197 9.881 13.550 543 H THR 73 H THR 73 9.055 12.945 20.545 544 HA THR 73 HA THR 73 10.352 15.234 21.869 545 HB THR 73 HB THR 73 7.978 15.651 21.572 546 HG1 THR 73 HG1 THR 73 8.143 16.484 23.496 547 HG21 THR 73 HG21 THR 73 7.320 13.263 21.341 548 HG22 THR 73 HG22 THR 73 6.259 14.205 22.382 549 HG23 THR 73 HG23 THR 73 7.442 13.109 23.093 550 H ASN 74 H ASN 74 9.603 11.849 22.071 551 HA ASN 74 HA ASN 74 10.263 11.755 24.921 552 HB2 ASN 74 HB2 ASN 74 8.150 10.691 23.949 553 HB3 ASN 74 HB3 ASN 74 9.209 9.485 23.233 554 HD21 ASN 74 HD21 ASN 74 8.087 7.915 24.476 555 HD22 ASN 74 HD22 ASN 74 8.446 7.691 26.157 556 H LEU 75 H LEU 75 12.221 12.027 22.630 557 HA LEU 75 HA LEU 75 13.585 9.540 22.406 558 HB2 LEU 75 HB2 LEU 75 14.202 12.339 21.603 559 HB3 LEU 75 HB3 LEU 75 15.499 11.159 21.623 560 HG LEU 75 HG LEU 75 12.972 11.037 19.977 561 HD11 LEU 75 HD11 LEU 75 14.499 11.165 18.095 562 HD12 LEU 75 HD12 LEU 75 15.873 11.246 19.198 563 HD13 LEU 75 HD13 LEU 75 14.701 12.563 19.152 564 HD21 LEU 75 HD21 LEU 75 13.923 8.973 19.030 565 HD22 LEU 75 HD22 LEU 75 13.526 8.803 20.738 566 HD23 LEU 75 HD23 LEU 75 15.206 9.023 20.240 567 H LYS 76 H LYS 76 13.398 11.645 24.992 568 HA LYS 76 HA LYS 76 16.070 11.350 25.958 569 HB2 LYS 76 HB2 LYS 76 15.331 12.309 27.994 570 HB3 LYS 76 HB3 LYS 76 14.453 13.136 26.721 571 HG2 LYS 76 HG2 LYS 76 13.199 10.807 28.097 572 HG3 LYS 76 HG3 LYS 76 13.239 12.374 28.889 573 HD2 LYS 76 HD2 LYS 76 12.229 13.282 26.712 574 HD3 LYS 76 HD3 LYS 76 11.874 11.595 26.336 575 HE2 LYS 76 HE2 LYS 76 10.965 13.093 28.798 576 HE3 LYS 76 HE3 LYS 76 9.961 12.701 27.403 577 HZ1 LYS 76 HZ1 LYS 76 11.283 10.679 29.140 578 HZ2 LYS 76 HZ2 LYS 76 10.180 10.378 27.887 579 HZ3 LYS 76 HZ3 LYS 76 9.668 11.168 29.295 580 H ALA 77 H ALA 77 13.240 9.416 25.929 581 HA ALA 77 HA ALA 77 14.092 7.623 28.018 582 HB1 ALA 77 HB1 ALA 77 12.137 6.312 27.408 583 HB2 ALA 77 HB2 ALA 77 11.891 7.322 25.983 584 HB3 ALA 77 HB3 ALA 77 11.717 8.015 27.596 585 H ALA 78 H ALA 78 15.223 8.134 25.005 586 HA ALA 78 HA ALA 78 15.631 5.329 24.310 587 HB1 ALA 78 HB1 ALA 78 16.548 6.152 22.218 588 HB2 ALA 78 HB2 ALA 78 16.474 7.811 22.814 589 HB3 ALA 78 HB3 ALA 78 14.985 6.908 22.532 590 H LYS 79 H LYS 79 17.281 4.318 25.180 591 HA LYS 79 HA LYS 79 19.669 5.877 25.875 592 HB2 LYS 79 HB2 LYS 79 20.176 3.885 27.412 593 HB3 LYS 79 HB3 LYS 79 18.928 5.010 27.902 594 HG2 LYS 79 HG2 LYS 79 18.241 2.469 26.467 595 HG3 LYS 79 HG3 LYS 79 18.522 2.497 28.208 596 HD2 LYS 79 HD2 LYS 79 16.799 4.391 28.270 597 HD3 LYS 79 HD3 LYS 79 16.377 3.895 26.632 598 HE2 LYS 79 HE2 LYS 79 16.245 2.207 29.129 599 HE3 LYS 79 HE3 LYS 79 14.881 2.849 28.218 600 HZ1 LYS 79 HZ1 LYS 79 16.846 0.875 27.192 601 HZ2 LYS 79 HZ2 LYS 79 15.496 1.463 26.351 602 HZ3 LYS 79 HZ3 LYS 79 15.286 0.510 27.733 603 H LYS 80 H LYS 80 21.526 4.006 26.211 604 HA LYS 80 HA LYS 80 22.488 3.747 23.602 605 HB2 LYS 80 HB2 LYS 80 24.439 2.818 24.537 606 HB3 LYS 80 HB3 LYS 80 23.817 3.915 25.759 607 HG2 LYS 80 HG2 LYS 80 23.363 0.941 25.769 608 HG3 LYS 80 HG3 LYS 80 24.657 1.754 26.644 609 HD2 LYS 80 HD2 LYS 80 23.041 2.981 27.964 610 HD3 LYS 80 HD3 LYS 80 21.713 2.289 27.033 611 HE2 LYS 80 HE2 LYS 80 22.023 1.178 29.206 612 HE3 LYS 80 HE3 LYS 80 22.249 0.077 27.847 613 HZ1 LYS 80 HZ1 LYS 80 24.448 1.401 29.342 614 HZ2 LYS 80 HZ2 LYS 80 24.622 0.269 28.095 615 HZ3 LYS 80 HZ3 LYS 80 23.940 -0.200 29.574 616 H GLY 81 H GLY 81 20.219 1.787 25.004 617 HA2 GLY 81 HA2 GLY 81 20.778 -0.255 22.990 618 HA3 GLY 81 HA3 GLY 81 20.551 -0.787 24.644 619 H SER 82 H SER 82 18.805 1.885 23.251 620 HA SER 82 HA SER 82 16.296 0.565 23.598 621 HB2 SER 82 HB2 SER 82 17.073 3.264 22.485 622 HB3 SER 82 HB3 SER 82 15.403 2.693 22.546 623 HG SER 82 HG SER 82 15.471 2.668 24.736 624 H MET 83 H MET 83 15.524 -0.778 22.238 625 HA MET 83 HA MET 83 16.623 -1.244 19.673 626 HB2 MET 83 HB2 MET 83 15.702 -3.100 20.854 627 HB3 MET 83 HB3 MET 83 14.145 -2.304 21.023 628 HG2 MET 83 HG2 MET 83 14.307 -4.149 19.314 629 HG3 MET 83 HG3 MET 83 13.605 -2.630 18.771 630 HE1 MET 83 HE1 MET 83 16.782 -4.863 18.855 631 HE2 MET 83 HE2 MET 83 17.522 -3.310 19.256 632 HE3 MET 83 HE3 MET 83 17.853 -4.070 17.698 633 H VAL 84 H VAL 84 16.278 -0.250 17.887 634 HA VAL 84 HA VAL 84 13.868 1.423 17.586 635 HB VAL 84 HB VAL 84 16.622 1.723 16.370 636 HG11 VAL 84 HG11 VAL 84 15.774 3.803 15.369 637 HG12 VAL 84 HG12 VAL 84 14.152 3.389 15.917 638 HG13 VAL 84 HG13 VAL 84 14.965 2.372 14.731 639 HG21 VAL 84 HG21 VAL 84 16.483 2.417 18.696 640 HG22 VAL 84 HG22 VAL 84 15.104 3.451 18.319 641 HG23 VAL 84 HG23 VAL 84 16.692 3.814 17.639 642 H TYR 85 H TYR 85 12.440 0.774 16.098 643 HA TYR 85 HA TYR 85 13.341 -1.192 14.121 644 HB2 TYR 85 HB2 TYR 85 10.614 -0.557 15.227 645 HB3 TYR 85 HB3 TYR 85 10.841 -1.566 13.802 646 HD1 TYR 85 HD1 TYR 85 12.503 -3.567 14.104 647 HD2 TYR 85 HD2 TYR 85 10.564 -1.569 17.314 648 HE1 TYR 85 HE1 TYR 85 12.866 -5.530 15.532 649 HE2 TYR 85 HE2 TYR 85 10.930 -3.523 18.761 650 HH TYR 85 HH TYR 85 11.278 -6.108 18.324 651 H PHE 86 H PHE 86 13.779 -0.481 12.194 652 HA PHE 86 HA PHE 86 12.388 1.908 11.189 653 HB2 PHE 86 HB2 PHE 86 14.932 1.856 11.279 654 HB3 PHE 86 HB3 PHE 86 14.865 0.620 10.028 655 HD1 PHE 86 HD1 PHE 86 13.444 4.009 10.691 656 HD2 PHE 86 HD2 PHE 86 15.154 1.320 7.867 657 HE1 PHE 86 HE1 PHE 86 13.357 5.767 8.971 658 HE2 PHE 86 HE2 PHE 86 15.072 3.075 6.142 659 HZ PHE 86 HZ PHE 86 14.171 5.298 6.694 660 H LYS 87 H LYS 87 10.905 1.652 9.669 661 HA LYS 87 HA LYS 87 10.633 -1.015 8.435 662 HB2 LYS 87 HB2 LYS 87 8.856 -0.227 10.008 663 HB3 LYS 87 HB3 LYS 87 8.505 1.078 8.890 664 HG2 LYS 87 HG2 LYS 87 7.973 -0.647 7.169 665 HG3 LYS 87 HG3 LYS 87 8.161 -1.875 8.424 666 HD2 LYS 87 HD2 LYS 87 6.061 0.242 8.144 667 HD3 LYS 87 HD3 LYS 87 5.872 -1.487 8.449 668 HE2 LYS 87 HE2 LYS 87 6.867 -1.143 10.701 669 HE3 LYS 87 HE3 LYS 87 6.913 0.590 10.372 670 HZ1 LYS 87 HZ1 LYS 87 4.990 0.120 11.661 671 HZ2 LYS 87 HZ2 LYS 87 4.500 -1.124 10.620 672 HZ3 LYS 87 HZ3 LYS 87 4.461 0.485 10.089 673 H VAL 88 H VAL 88 10.667 -1.172 6.299 674 HA VAL 88 HA VAL 88 10.158 1.212 4.678 675 HB VAL 88 HB VAL 88 12.039 0.553 3.128 676 HG11 VAL 88 HG11 VAL 88 13.759 1.688 4.435 677 HG12 VAL 88 HG12 VAL 88 12.817 1.437 5.904 678 HG13 VAL 88 HG13 VAL 88 12.193 2.479 4.626 679 HG21 VAL 88 HG21 VAL 88 12.438 -1.706 3.933 680 HG22 VAL 88 HG22 VAL 88 12.917 -1.075 5.511 681 HG23 VAL 88 HG23 VAL 88 13.898 -0.728 4.086 682 H GLY 89 H GLY 89 8.573 0.767 3.356 683 HA2 GLY 89 HA2 GLY 89 7.265 -0.315 1.815 684 HA3 GLY 89 HA3 GLY 89 8.570 -1.474 1.610 685 H ASN 90 H ASN 90 8.708 -3.244 3.100 686 HA ASN 90 HA ASN 90 6.237 -3.808 4.574 687 HB2 ASN 90 HB2 ASN 90 6.096 -4.898 2.357 688 HB3 ASN 90 HB3 ASN 90 7.584 -5.770 2.709 689 HD21 ASN 90 HD21 ASN 90 4.228 -5.377 3.563 690 HD22 ASN 90 HD22 ASN 90 4.048 -6.904 4.353 691 H GLU 91 H GLU 91 9.627 -3.810 4.489 692 HA GLU 91 HA GLU 91 9.833 -6.004 6.416 693 HB2 GLU 91 HB2 GLU 91 12.224 -6.000 6.010 694 HB3 GLU 91 HB3 GLU 91 11.361 -6.091 4.482 695 HG2 GLU 91 HG2 GLU 91 11.845 -3.828 3.974 696 HG3 GLU 91 HG3 GLU 91 12.443 -3.522 5.604 697 H THR 92 H THR 92 11.130 -5.758 8.316 698 HA THR 92 HA THR 92 11.404 -2.992 9.276 699 HB THR 92 HB THR 92 10.307 -5.195 11.021 700 HG1 THR 92 HG1 THR 92 9.047 -3.725 9.060 701 HG21 THR 92 HG21 THR 92 9.531 -3.307 12.389 702 HG22 THR 92 HG22 THR 92 10.246 -2.180 11.235 703 HG23 THR 92 HG23 THR 92 11.280 -3.263 12.169 704 H ARG 93 H ARG 93 13.434 -2.693 9.957 705 HA ARG 93 HA ARG 93 15.007 -5.056 10.723 706 HB2 ARG 93 HB2 ARG 93 15.954 -2.320 9.858 707 HB3 ARG 93 HB3 ARG 93 16.983 -3.698 10.218 708 HG2 ARG 93 HG2 ARG 93 15.991 -4.917 8.333 709 HG3 ARG 93 HG3 ARG 93 15.000 -3.503 7.961 710 HD2 ARG 93 HD2 ARG 93 17.021 -2.178 7.623 711 HD3 ARG 93 HD3 ARG 93 18.011 -3.584 8.002 712 HE ARG 93 HE ARG 93 16.175 -3.962 5.795 713 HH11 ARG 93 HH11 ARG 93 19.405 -3.050 6.842 714 HH12 ARG 93 HH12 ARG 93 20.084 -3.169 5.240 715 HH21 ARG 93 HH21 ARG 93 17.105 -4.160 3.693 716 HH22 ARG 93 HH22 ARG 93 18.794 -3.820 3.477 717 H LYS 94 H LYS 94 16.484 -4.871 12.497 718 HA LYS 94 HA LYS 94 15.435 -3.123 14.608 719 HB2 LYS 94 HB2 LYS 94 17.247 -5.142 15.588 720 HB3 LYS 94 HB3 LYS 94 15.577 -4.850 16.027 721 HG2 LYS 94 HG2 LYS 94 15.585 -7.047 15.288 722 HG3 LYS 94 HG3 LYS 94 14.993 -6.148 13.891 723 HD2 LYS 94 HD2 LYS 94 16.629 -7.805 13.197 724 HD3 LYS 94 HD3 LYS 94 17.258 -6.177 12.935 725 HE2 LYS 94 HE2 LYS 94 19.017 -7.490 13.866 726 HE3 LYS 94 HE3 LYS 94 18.461 -6.379 15.117 727 HZ1 LYS 94 HZ1 LYS 94 17.370 -8.095 16.247 728 HZ2 LYS 94 HZ2 LYS 94 18.868 -8.762 15.797 729 HZ3 LYS 94 HZ3 LYS 94 17.462 -9.162 14.929 730 H TYR 95 H TYR 95 16.637 -1.526 15.361 731 HA TYR 95 HA TYR 95 19.548 -1.575 14.870 732 HB2 TYR 95 HB2 TYR 95 17.663 0.791 14.724 733 HB3 TYR 95 HB3 TYR 95 19.416 0.902 14.620 734 HD1 TYR 95 HD1 TYR 95 16.379 -0.288 12.897 735 HD2 TYR 95 HD2 TYR 95 20.569 0.358 12.606 736 HE1 TYR 95 HE1 TYR 95 16.263 -0.657 10.469 737 HE2 TYR 95 HE2 TYR 95 20.464 -0.008 10.180 738 HH TYR 95 HH TYR 95 18.984 -1.204 8.569 739 H LYS 96 H LYS 96 20.857 -0.597 16.490 740 HA LYS 96 HA LYS 96 19.453 -0.104 19.036 741 HB2 LYS 96 HB2 LYS 96 21.049 -2.197 18.668 742 HB3 LYS 96 HB3 LYS 96 22.301 -1.013 19.002 743 HG2 LYS 96 HG2 LYS 96 20.858 -0.451 21.082 744 HG3 LYS 96 HG3 LYS 96 20.140 -2.036 20.786 745 HD2 LYS 96 HD2 LYS 96 22.626 -2.826 20.667 746 HD3 LYS 96 HD3 LYS 96 22.941 -1.326 21.541 747 HE2 LYS 96 HE2 LYS 96 22.701 -3.202 23.067 748 HE3 LYS 96 HE3 LYS 96 21.433 -2.007 23.307 749 HZ1 LYS 96 HZ1 LYS 96 19.927 -3.410 22.019 750 HZ2 LYS 96 HZ2 LYS 96 20.533 -4.223 23.377 751 HZ3 LYS 96 HZ3 LYS 96 21.152 -4.570 21.841 752 H MET 97 H MET 97 20.185 1.626 20.292 753 HA MET 97 HA MET 97 21.379 3.757 18.782 754 HB2 MET 97 HB2 MET 97 20.670 3.766 21.720 755 HB3 MET 97 HB3 MET 97 20.886 5.163 20.672 756 HG2 MET 97 HG2 MET 97 18.697 3.110 20.445 757 HG3 MET 97 HG3 MET 97 18.534 4.728 21.122 758 HE1 MET 97 HE1 MET 97 18.656 7.060 18.095 759 HE2 MET 97 HE2 MET 97 19.789 6.775 19.419 760 HE3 MET 97 HE3 MET 97 18.056 6.841 19.738 761 H THR 98 H THR 98 23.464 2.937 18.385 762 HA THR 98 HA THR 98 25.098 2.065 20.600 763 HB THR 98 HB THR 98 26.820 1.698 18.792 764 HG1 THR 98 HG1 THR 98 25.962 3.242 17.294 765 HG21 THR 98 HG21 THR 98 25.661 -0.239 17.861 766 HG22 THR 98 HG22 THR 98 24.113 0.426 18.383 767 HG23 THR 98 HG23 THR 98 25.306 -0.074 19.581 768 H SER 99 H SER 99 24.582 5.007 18.947 769 HA SER 99 HA SER 99 26.705 6.195 20.536 770 HB2 SER 99 HB2 SER 99 26.553 6.639 17.551 771 HB3 SER 99 HB3 SER 99 27.636 7.470 18.660 772 HG SER 99 HG SER 99 27.949 4.894 19.094 773 H ILE 100 H ILE 100 25.465 7.416 21.750 774 HA ILE 100 HA ILE 100 23.649 9.341 20.453 775 HB ILE 100 HB ILE 100 23.911 8.629 23.387 776 HG12 ILE 100 HG12 ILE 100 21.732 7.903 21.408 777 HG13 ILE 100 HG13 ILE 100 22.970 6.798 21.997 778 HG21 ILE 100 HG21 ILE 100 21.885 10.355 21.968 779 HG22 ILE 100 HG22 ILE 100 23.172 10.925 23.029 780 HG23 ILE 100 HG23 ILE 100 21.866 9.934 23.681 781 HD11 ILE 100 HD11 ILE 100 22.097 6.977 24.245 782 HD12 ILE 100 HD12 ILE 100 20.821 6.495 23.128 783 HD13 ILE 100 HD13 ILE 100 20.903 8.157 23.709 784 H ARG 101 H ARG 101 24.591 11.257 20.023 785 HA ARG 101 HA ARG 101 26.723 12.175 21.839 786 HB2 ARG 101 HB2 ARG 101 27.634 11.213 19.743 787 HB3 ARG 101 HB3 ARG 101 26.742 12.416 18.828 788 HG2 ARG 101 HG2 ARG 101 28.018 14.171 20.070 789 HG3 ARG 101 HG3 ARG 101 29.009 12.877 20.747 790 HD2 ARG 101 HD2 ARG 101 28.685 13.571 17.832 791 HD3 ARG 101 HD3 ARG 101 30.112 13.849 18.825 792 HE ARG 101 HE ARG 101 29.240 11.088 18.578 793 HH11 ARG 101 HH11 ARG 101 31.438 13.611 17.558 794 HH12 ARG 101 HH12 ARG 101 32.511 12.523 16.723 795 HH21 ARG 101 HH21 ARG 101 30.657 9.637 17.508 796 HH22 ARG 101 HH22 ARG 101 32.067 10.263 16.690 797 H ASP 102 H ASP 102 26.946 14.356 22.106 798 HA ASP 102 HA ASP 102 24.720 16.022 21.117 799 HB2 ASP 102 HB2 ASP 102 26.435 16.350 23.592 800 HB3 ASP 102 HB3 ASP 102 25.271 17.546 23.033 801 H VAL 103 H VAL 103 25.163 17.843 19.975 802 HA VAL 103 HA VAL 103 28.017 18.410 19.498 803 HB VAL 103 HB VAL 103 25.802 18.492 17.438 804 HG11 VAL 103 HG11 VAL 103 28.762 18.980 17.129 805 HG12 VAL 103 HG12 VAL 103 27.499 20.209 17.061 806 HG13 VAL 103 HG13 VAL 103 27.572 18.952 15.829 807 HG21 VAL 103 HG21 VAL 103 28.123 16.591 17.732 808 HG22 VAL 103 HG22 VAL 103 26.979 16.623 16.390 809 HG23 VAL 103 HG23 VAL 103 26.425 16.212 18.012 810 H LYS 104 H LYS 104 28.601 20.422 19.929 811 HA LYS 104 HA LYS 104 26.640 22.462 20.440 812 HB2 LYS 104 HB2 LYS 104 28.777 23.910 20.675 813 HB3 LYS 104 HB3 LYS 104 28.456 22.664 21.871 814 HG2 LYS 104 HG2 LYS 104 30.023 21.170 20.686 815 HG3 LYS 104 HG3 LYS 104 30.384 22.487 19.565 816 HD2 LYS 104 HD2 LYS 104 31.357 23.801 21.265 817 HD3 LYS 104 HD3 LYS 104 30.685 22.786 22.541 818 HE2 LYS 104 HE2 LYS 104 33.089 22.406 22.238 819 HE3 LYS 104 HE3 LYS 104 32.142 20.961 21.895 820 HZ1 LYS 104 HZ1 LYS 104 32.401 21.329 19.566 821 HZ2 LYS 104 HZ2 LYS 104 33.936 21.397 20.274 822 HZ3 LYS 104 HZ3 LYS 104 33.149 22.828 19.816 823 HA PRO 105 HA PRO 105 25.974 24.026 16.510 824 HB2 PRO 105 HB2 PRO 105 25.751 26.711 16.922 825 HB3 PRO 105 HB3 PRO 105 24.525 25.538 17.420 826 HG2 PRO 105 HG2 PRO 105 26.698 26.810 19.047 827 HG3 PRO 105 HG3 PRO 105 24.989 26.564 19.460 828 HD2 PRO 105 HD2 PRO 105 26.898 24.928 20.395 829 HD3 PRO 105 HD3 PRO 105 25.298 24.312 19.931 830 H THR 106 H THR 106 28.767 25.283 18.139 831 HA THR 106 HA THR 106 29.686 26.810 15.879 832 HB THR 106 HB THR 106 31.812 26.956 17.309 833 HG1 THR 106 HG1 THR 106 31.645 25.355 18.780 834 HG21 THR 106 HG21 THR 106 29.195 27.992 18.408 835 HG22 THR 106 HG22 THR 106 30.179 28.762 17.162 836 HG23 THR 106 HG23 THR 106 30.796 28.616 18.809 837 H ASP 107 H ASP 107 30.121 23.582 17.117 838 HA ASP 107 HA ASP 107 32.161 23.109 15.051 839 HB2 ASP 107 HB2 ASP 107 32.217 21.836 17.790 840 HB3 ASP 107 HB3 ASP 107 33.449 21.744 16.539 841 H VAL 108 H VAL 108 30.360 22.311 13.801 842 HA VAL 108 HA VAL 108 29.271 19.760 14.720 843 HB VAL 108 HB VAL 108 27.793 21.635 13.835 844 HG11 VAL 108 HG11 VAL 108 28.949 20.745 11.197 845 HG12 VAL 108 HG12 VAL 108 29.164 22.323 11.950 846 HG13 VAL 108 HG13 VAL 108 27.564 21.818 11.408 847 HG21 VAL 108 HG21 VAL 108 26.326 20.093 12.650 848 HG22 VAL 108 HG22 VAL 108 27.017 19.368 14.100 849 HG23 VAL 108 HG23 VAL 108 27.653 18.944 12.512 850 H GLU 109 H GLU 109 31.762 21.003 12.934 851 HA GLU 109 HA GLU 109 31.893 18.831 10.979 852 HB2 GLU 109 HB2 GLU 109 33.839 20.162 10.102 853 HB3 GLU 109 HB3 GLU 109 32.297 21.008 10.069 854 HG2 GLU 109 HG2 GLU 109 32.894 22.238 12.066 855 HG3 GLU 109 HG3 GLU 109 34.409 21.347 12.186 856 H VAL 110 H VAL 110 32.227 18.201 13.723 857 HA VAL 110 HA VAL 110 35.041 18.034 14.336 858 HB VAL 110 HB VAL 110 34.254 16.802 16.369 859 HG11 VAL 110 HG11 VAL 110 34.602 19.199 16.420 860 HG12 VAL 110 HG12 VAL 110 33.203 18.769 17.404 861 HG13 VAL 110 HG13 VAL 110 32.973 19.471 15.803 862 HG21 VAL 110 HG21 VAL 110 31.526 17.399 15.214 863 HG22 VAL 110 HG22 VAL 110 31.832 16.826 16.853 864 HG23 VAL 110 HG23 VAL 110 32.229 15.804 15.473 865 H LEU 111 H LEU 111 33.674 16.464 12.052 866 HA LEU 111 HA LEU 111 35.118 14.007 12.586 867 HB2 LEU 111 HB2 LEU 111 33.243 12.632 11.613 868 HB3 LEU 111 HB3 LEU 111 33.003 13.223 13.236 869 HG LEU 111 HG LEU 111 30.952 13.238 11.869 870 HD11 LEU 111 HD11 LEU 111 30.205 15.497 12.401 871 HD12 LEU 111 HD12 LEU 111 31.875 15.970 12.713 872 HD13 LEU 111 HD13 LEU 111 31.097 14.758 13.729 873 HD21 LEU 111 HD21 LEU 111 30.642 14.909 10.111 874 HD22 LEU 111 HD22 LEU 111 31.875 13.720 9.686 875 HD23 LEU 111 HD23 LEU 111 32.353 15.332 10.219 876 H ASP 112 H ASP 112 35.184 12.622 10.518 877 HA ASP 112 HA ASP 112 35.946 14.373 8.337 878 HB2 ASP 112 HB2 ASP 112 36.079 11.367 8.647 879 HB3 ASP 112 HB3 ASP 112 36.645 12.233 7.223 880 H GLU 113 H GLU 113 35.140 14.174 6.206 881 HA GLU 113 HA GLU 113 32.301 13.978 6.079 882 HB2 GLU 113 HB2 GLU 113 33.857 15.481 4.748 883 HB3 GLU 113 HB3 GLU 113 34.227 14.073 3.771 884 HG2 GLU 113 HG2 GLU 113 32.591 15.344 2.620 885 HG3 GLU 113 HG3 GLU 113 31.801 13.894 3.241 886 H GLN 114 H GLN 114 31.516 11.917 6.415 887 HA GLN 114 HA GLN 114 32.377 9.855 4.504 888 HB2 GLN 114 HB2 GLN 114 31.939 9.423 7.454 889 HB3 GLN 114 HB3 GLN 114 32.282 8.172 6.271 890 HG2 GLN 114 HG2 GLN 114 34.483 8.706 6.134 891 HG3 GLN 114 HG3 GLN 114 34.206 10.410 6.503 892 HE21 GLN 114 HE21 GLN 114 33.976 11.058 8.615 893 HE22 GLN 114 HE22 GLN 114 34.523 10.080 9.943 894 H LYS 115 H LYS 115 30.453 10.085 3.341 895 HA LYS 115 HA LYS 115 28.131 9.003 4.744 896 HB2 LYS 115 HB2 LYS 115 26.718 9.900 3.021 897 HB3 LYS 115 HB3 LYS 115 27.764 11.169 3.624 898 HG2 LYS 115 HG2 LYS 115 28.610 9.716 1.186 899 HG3 LYS 115 HG3 LYS 115 27.279 10.862 1.061 900 HD2 LYS 115 HD2 LYS 115 30.057 11.445 2.085 901 HD3 LYS 115 HD3 LYS 115 29.384 11.948 0.534 902 HE2 LYS 115 HE2 LYS 115 28.622 12.874 3.292 903 HE3 LYS 115 HE3 LYS 115 29.246 13.835 1.956 904 HZ1 LYS 115 HZ1 LYS 115 27.041 13.024 0.814 905 HZ2 LYS 115 HZ2 LYS 115 27.034 14.341 1.871 906 HZ3 LYS 115 HZ3 LYS 115 26.530 12.823 2.423 907 H GLY 116 H GLY 116 27.769 6.946 4.466 908 HA2 GLY 116 HA2 GLY 116 27.442 5.155 2.729 909 HA3 GLY 116 HA3 GLY 116 29.046 5.607 2.165 910 H LYS 117 H LYS 117 28.200 5.524 5.545 911 HA LYS 117 HA LYS 117 30.254 3.639 6.170 912 HB2 LYS 117 HB2 LYS 117 29.078 5.640 7.523 913 HB3 LYS 117 HB3 LYS 117 28.137 4.290 8.126 914 HG2 LYS 117 HG2 LYS 117 29.866 4.576 9.663 915 HG3 LYS 117 HG3 LYS 117 30.340 3.187 8.690 916 HD2 LYS 117 HD2 LYS 117 31.860 4.559 7.402 917 HD3 LYS 117 HD3 LYS 117 31.327 6.006 8.261 918 HE2 LYS 117 HE2 LYS 117 32.166 5.037 10.365 919 HE3 LYS 117 HE3 LYS 117 32.736 3.628 9.477 920 HZ1 LYS 117 HZ1 LYS 117 34.217 5.073 8.213 921 HZ2 LYS 117 HZ2 LYS 117 34.531 5.184 9.875 922 HZ3 LYS 117 HZ3 LYS 117 33.682 6.420 9.093 923 H ASP 118 H ASP 118 28.958 2.225 8.228 924 HA ASP 118 HA ASP 118 27.994 -0.008 6.746 925 HB2 ASP 118 HB2 ASP 118 29.329 0.158 9.038 926 HB3 ASP 118 HB3 ASP 118 27.709 0.184 9.720 927 H LYS 119 H LYS 119 26.002 -1.068 8.311 928 HA LYS 119 HA LYS 119 23.741 0.470 7.408 929 HB2 LYS 119 HB2 LYS 119 23.854 -2.093 9.011 930 HB3 LYS 119 HB3 LYS 119 22.374 -1.346 8.440 931 HG2 LYS 119 HG2 LYS 119 22.720 -2.953 6.849 932 HG3 LYS 119 HG3 LYS 119 23.495 -1.556 6.098 933 HD2 LYS 119 HD2 LYS 119 24.925 -3.485 5.867 934 HD3 LYS 119 HD3 LYS 119 25.668 -2.341 6.987 935 HE2 LYS 119 HE2 LYS 119 24.581 -3.696 8.849 936 HE3 LYS 119 HE3 LYS 119 24.257 -4.921 7.621 937 HZ1 LYS 119 HZ1 LYS 119 26.306 -5.404 8.766 938 HZ2 LYS 119 HZ2 LYS 119 26.924 -3.873 8.394 939 HZ3 LYS 119 HZ3 LYS 119 26.646 -5.001 7.156 940 H GLN 120 H GLN 120 23.998 2.367 8.617 941 HA GLN 120 HA GLN 120 22.941 2.111 11.340 942 HB2 GLN 120 HB2 GLN 120 24.450 4.007 12.028 943 HB3 GLN 120 HB3 GLN 120 25.264 2.478 11.723 944 HG2 GLN 120 HG2 GLN 120 26.037 3.254 9.586 945 HG3 GLN 120 HG3 GLN 120 25.095 4.737 9.742 946 HE21 GLN 120 HE21 GLN 120 25.823 6.375 11.054 947 HE22 GLN 120 HE22 GLN 120 27.418 6.395 11.723 948 H LEU 121 H LEU 121 21.340 3.486 11.795 949 HA LEU 121 HA LEU 121 20.612 5.496 9.815 950 HB2 LEU 121 HB2 LEU 121 19.183 5.171 12.427 951 HB3 LEU 121 HB3 LEU 121 18.548 5.666 10.868 952 HG LEU 121 HG LEU 121 19.357 2.844 11.575 953 HD11 LEU 121 HD11 LEU 121 16.942 2.403 11.596 954 HD12 LEU 121 HD12 LEU 121 16.635 4.130 11.399 955 HD13 LEU 121 HD13 LEU 121 17.422 3.534 12.861 956 HD21 LEU 121 HD21 LEU 121 19.546 3.367 9.190 957 HD22 LEU 121 HD22 LEU 121 17.880 3.946 9.188 958 HD23 LEU 121 HD23 LEU 121 18.222 2.245 9.510 959 H THR 122 H THR 122 21.790 7.297 9.948 960 HA THR 122 HA THR 122 22.659 8.285 12.554 961 HB THR 122 HB THR 122 23.275 9.484 9.847 962 HG1 THR 122 HG1 THR 122 24.590 7.864 9.538 963 HG21 THR 122 HG21 THR 122 24.721 9.638 12.498 964 HG22 THR 122 HG22 THR 122 23.711 10.908 11.810 965 HG23 THR 122 HG23 THR 122 25.205 10.435 11.001 966 H LEU 123 H LEU 123 20.813 9.103 13.465 967 HA LEU 123 HA LEU 123 19.136 10.926 11.996 968 HB2 LEU 123 HB2 LEU 123 19.095 9.941 14.838 969 HB3 LEU 123 HB3 LEU 123 17.998 11.177 14.260 970 HG LEU 123 HG LEU 123 17.252 9.496 12.507 971 HD11 LEU 123 HD11 LEU 123 19.086 7.943 12.645 972 HD12 LEU 123 HD12 LEU 123 17.574 7.136 13.066 973 HD13 LEU 123 HD13 LEU 123 18.706 7.606 14.335 974 HD21 LEU 123 HD21 LEU 123 16.730 8.879 15.409 975 HD22 LEU 123 HD22 LEU 123 15.719 8.387 14.050 976 HD23 LEU 123 HD23 LEU 123 15.898 10.097 14.442 977 H ILE 124 H ILE 124 19.868 12.857 11.600 978 HA ILE 124 HA ILE 124 21.407 14.354 13.565 979 HB ILE 124 HB ILE 124 20.364 15.288 10.879 980 HG12 ILE 124 HG12 ILE 124 23.122 14.218 11.532 981 HG13 ILE 124 HG13 ILE 124 21.868 13.276 10.736 982 HG21 ILE 124 HG21 ILE 124 22.060 17.017 11.070 983 HG22 ILE 124 HG22 ILE 124 22.594 16.350 12.614 984 HG23 ILE 124 HG23 ILE 124 20.987 17.062 12.471 985 HD11 ILE 124 HD11 ILE 124 23.097 15.804 9.672 986 HD12 ILE 124 HD12 ILE 124 21.866 14.831 8.869 987 HD13 ILE 124 HD13 ILE 124 23.476 14.165 9.144 988 H THR 125 H THR 125 20.127 14.949 15.224 989 HA THR 125 HA THR 125 17.533 16.149 14.551 990 HB THR 125 HB THR 125 16.938 15.536 16.967 991 HG1 THR 125 HG1 THR 125 19.419 14.822 17.078 992 HG21 THR 125 HG21 THR 125 16.324 13.239 16.347 993 HG22 THR 125 HG22 THR 125 17.407 13.332 14.957 994 HG23 THR 125 HG23 THR 125 15.987 14.376 15.042 995 H CYS 126 H CYS 126 17.932 18.304 14.505 996 HA CYS 126 HA CYS 126 19.478 19.658 16.469 997 HB2 CYS 126 HB2 CYS 126 17.472 20.546 14.410 998 HB3 CYS 126 HB3 CYS 126 18.084 21.682 15.603 999 H ASP 127 H ASP 127 18.938 20.078 18.529 1000 HA ASP 127 HA ASP 127 16.518 19.199 19.666 1001 HB2 ASP 127 HB2 ASP 127 18.615 21.089 20.759 1002 HB3 ASP 127 HB3 ASP 127 17.277 20.457 21.707 1003 H ASP 128 H ASP 128 17.642 22.532 19.965 1004 HA ASP 128 HA ASP 128 14.858 23.415 19.882 1005 HB2 ASP 128 HB2 ASP 128 16.736 24.037 21.680 1006 HB3 ASP 128 HB3 ASP 128 17.089 25.303 20.507 1007 H TYR 129 H TYR 129 14.940 25.964 18.980 1008 HA TYR 129 HA TYR 129 16.353 25.957 16.426 1009 HB2 TYR 129 HB2 TYR 129 14.221 24.717 16.023 1010 HB3 TYR 129 HB3 TYR 129 13.333 26.149 16.529 1011 HD1 TYR 129 HD1 TYR 129 13.298 28.160 15.092 1012 HD2 TYR 129 HD2 TYR 129 15.261 24.591 13.862 1013 HE1 TYR 129 HE1 TYR 129 13.354 28.995 12.780 1014 HE2 TYR 129 HE2 TYR 129 15.322 25.417 11.548 1015 HH TYR 129 HH TYR 129 14.679 28.634 10.721 1016 H ASN 130 H ASN 130 16.792 27.935 15.664 1017 HA ASN 130 HA ASN 130 15.350 30.263 16.674 1018 HB2 ASN 130 HB2 ASN 130 17.375 29.866 18.149 1019 HB3 ASN 130 HB3 ASN 130 18.375 30.139 16.725 1020 HD21 ASN 130 HD21 ASN 130 18.415 31.625 19.133 1021 HD22 ASN 130 HD22 ASN 130 17.979 33.254 18.757 1022 H GLU 131 H GLU 131 14.783 31.380 14.939 1023 HA GLU 131 HA GLU 131 15.714 30.780 12.347 1024 HB2 GLU 131 HB2 GLU 131 14.337 32.768 11.688 1025 HB3 GLU 131 HB3 GLU 131 13.483 31.549 12.624 1026 HG2 GLU 131 HG2 GLU 131 13.742 32.900 14.634 1027 HG3 GLU 131 HG3 GLU 131 14.612 34.119 13.703 1028 H LYS 132 H LYS 132 16.928 32.888 14.724 1029 HA LYS 132 HA LYS 132 18.072 34.930 13.182 1030 HB2 LYS 132 HB2 LYS 132 17.831 34.758 15.722 1031 HB3 LYS 132 HB3 LYS 132 19.276 33.761 15.691 1032 HG2 LYS 132 HG2 LYS 132 19.213 36.542 14.565 1033 HG3 LYS 132 HG3 LYS 132 19.566 36.208 16.257 1034 HD2 LYS 132 HD2 LYS 132 21.490 34.876 15.624 1035 HD3 LYS 132 HD3 LYS 132 21.112 35.101 13.915 1036 HE2 LYS 132 HE2 LYS 132 21.796 37.309 15.855 1037 HE3 LYS 132 HE3 LYS 132 22.915 36.594 14.696 1038 HZ1 LYS 132 HZ1 LYS 132 21.428 37.343 12.908 1039 HZ2 LYS 132 HZ2 LYS 132 22.026 38.633 13.826 1040 HZ3 LYS 132 HZ3 LYS 132 20.433 38.103 14.057 1041 H THR 133 H THR 133 19.196 31.694 13.974 1042 HA THR 133 HA THR 133 21.533 32.125 12.254 1043 HB THR 133 HB THR 133 22.596 32.309 14.282 1044 HG1 THR 133 HG1 THR 133 23.515 30.191 14.790 1045 HG21 THR 133 HG21 THR 133 20.696 30.259 15.415 1046 HG22 THR 133 HG22 THR 133 20.690 31.999 15.721 1047 HG23 THR 133 HG23 THR 133 22.027 31.003 16.303 1048 H GLY 134 H GLY 134 19.407 29.735 13.793 1049 HA2 GLY 134 HA2 GLY 134 18.643 28.252 11.727 1050 HA3 GLY 134 HA3 GLY 134 20.287 27.659 11.949 1051 H VAL 135 H VAL 135 20.484 27.808 14.675 1052 HA VAL 135 HA VAL 135 18.344 26.089 15.709 1053 HB VAL 135 HB VAL 135 20.456 24.797 15.135 1054 HG11 VAL 135 HG11 VAL 135 22.006 26.601 15.822 1055 HG12 VAL 135 HG12 VAL 135 22.385 25.029 16.537 1056 HG13 VAL 135 HG13 VAL 135 21.578 26.267 17.504 1057 HG21 VAL 135 HG21 VAL 135 20.460 23.510 17.201 1058 HG22 VAL 135 HG22 VAL 135 18.818 23.950 16.732 1059 HG23 VAL 135 HG23 VAL 135 19.631 24.826 18.030 1060 H TRP 136 H TRP 136 18.201 26.250 18.101 1061 HA TRP 136 HA TRP 136 18.740 28.970 18.885 1062 HB2 TRP 136 HB2 TRP 136 16.547 28.038 19.410 1063 HB3 TRP 136 HB3 TRP 136 17.300 26.755 20.352 1064 HD1 TRP 136 HD1 TRP 136 18.503 27.511 22.659 1065 HE1 TRP 136 HE1 TRP 136 17.974 29.464 24.260 1066 HE3 TRP 136 HE3 TRP 136 15.678 30.368 19.517 1067 HZ2 TRP 136 HZ2 TRP 136 16.536 31.900 24.184 1068 HZ3 TRP 136 HZ3 TRP 136 14.759 32.495 20.350 1069 HH2 TRP 136 HH2 TRP 136 15.181 33.241 22.637 1070 H GLU 137 H GLU 137 19.680 25.719 19.810 1071 HA GLU 137 HA GLU 137 21.909 26.868 21.274 1072 HB2 GLU 137 HB2 GLU 137 21.491 25.243 23.165 1073 HB3 GLU 137 HB3 GLU 137 20.380 26.596 23.032 1074 HG2 GLU 137 HG2 GLU 137 18.720 25.165 22.007 1075 HG3 GLU 137 HG3 GLU 137 19.837 23.800 22.085 1076 H LYS 138 H LYS 138 20.761 23.474 21.133 1077 HA LYS 138 HA LYS 138 23.500 22.850 20.241 1078 HB2 LYS 138 HB2 LYS 138 23.331 20.799 21.616 1079 HB3 LYS 138 HB3 LYS 138 23.221 22.274 22.566 1080 HG2 LYS 138 HG2 LYS 138 20.797 22.032 22.681 1081 HG3 LYS 138 HG3 LYS 138 20.893 20.561 21.711 1082 HD2 LYS 138 HD2 LYS 138 22.197 20.958 24.404 1083 HD3 LYS 138 HD3 LYS 138 20.676 20.107 24.129 1084 HE2 LYS 138 HE2 LYS 138 23.295 19.329 22.858 1085 HE3 LYS 138 HE3 LYS 138 22.685 18.630 24.356 1086 HZ1 LYS 138 HZ1 LYS 138 22.179 17.265 22.417 1087 HZ2 LYS 138 HZ2 LYS 138 21.275 18.532 21.734 1088 HZ3 LYS 138 HZ3 LYS 138 20.768 17.804 23.177 1089 H ARG 139 H ARG 139 23.810 20.742 19.290 1090 HA ARG 139 HA ARG 139 21.525 19.813 17.682 1091 HB2 ARG 139 HB2 ARG 139 24.399 20.092 17.171 1092 HB3 ARG 139 HB3 ARG 139 23.775 18.509 16.741 1093 HG2 ARG 139 HG2 ARG 139 23.649 19.779 14.790 1094 HG3 ARG 139 HG3 ARG 139 22.001 19.730 15.413 1095 HD2 ARG 139 HD2 ARG 139 22.175 21.955 16.251 1096 HD3 ARG 139 HD3 ARG 139 23.909 22.003 15.927 1097 HE ARG 139 HE ARG 139 22.017 21.663 13.698 1098 HH11 ARG 139 HH11 ARG 139 24.423 23.611 15.346 1099 HH12 ARG 139 HH12 ARG 139 24.702 24.643 13.979 1100 HH21 ARG 139 HH21 ARG 139 22.361 22.972 11.935 1101 HH22 ARG 139 HH22 ARG 139 23.504 24.290 12.024 1102 H LYS 140 H LYS 140 21.253 17.513 17.482 1103 HA LYS 140 HA LYS 140 22.599 15.899 19.532 1104 HB2 LYS 140 HB2 LYS 140 19.886 16.693 19.562 1105 HB3 LYS 140 HB3 LYS 140 19.901 14.993 19.108 1106 HG2 LYS 140 HG2 LYS 140 21.322 16.101 21.513 1107 HG3 LYS 140 HG3 LYS 140 19.689 15.432 21.546 1108 HD2 LYS 140 HD2 LYS 140 20.567 13.296 20.704 1109 HD3 LYS 140 HD3 LYS 140 22.198 13.976 20.726 1110 HE2 LYS 140 HE2 LYS 140 21.622 12.567 22.713 1111 HE3 LYS 140 HE3 LYS 140 22.154 14.204 23.093 1112 HZ1 LYS 140 HZ1 LYS 140 19.286 13.500 22.871 1113 HZ2 LYS 140 HZ2 LYS 140 19.975 14.863 23.602 1114 HZ3 LYS 140 HZ3 LYS 140 20.141 13.334 24.324 1115 H ILE 141 H ILE 141 23.420 14.057 18.719 1116 HA ILE 141 HA ILE 141 22.460 13.186 16.087 1117 HB ILE 141 HB ILE 141 25.178 12.859 17.334 1118 HG12 ILE 141 HG12 ILE 141 24.760 15.142 16.539 1119 HG13 ILE 141 HG13 ILE 141 25.960 14.336 15.536 1120 HG21 ILE 141 HG21 ILE 141 24.182 11.978 14.649 1121 HG22 ILE 141 HG22 ILE 141 24.590 10.938 16.012 1122 HG23 ILE 141 HG23 ILE 141 25.850 11.876 15.212 1123 HD11 ILE 141 HD11 ILE 141 24.421 15.631 14.184 1124 HD12 ILE 141 HD12 ILE 141 23.055 14.732 14.848 1125 HD13 ILE 141 HD13 ILE 141 24.250 13.908 13.845 1126 H PHE 142 H PHE 142 21.608 11.255 15.961 1127 HA PHE 142 HA PHE 142 22.084 9.312 18.124 1128 HB2 PHE 142 HB2 PHE 142 19.538 9.872 16.596 1129 HB3 PHE 142 HB3 PHE 142 19.773 8.447 17.598 1130 HD1 PHE 142 HD1 PHE 142 20.392 8.860 20.064 1131 HD2 PHE 142 HD2 PHE 142 18.685 11.809 17.517 1132 HE1 PHE 142 HE1 PHE 142 19.600 10.096 22.036 1133 HE2 PHE 142 HE2 PHE 142 17.890 13.054 19.485 1134 HZ PHE 142 HZ PHE 142 18.346 12.195 21.748 1135 H VAL 143 H VAL 143 23.439 7.855 17.274 1136 HA VAL 143 HA VAL 143 22.985 6.958 14.515 1137 HB VAL 143 HB VAL 143 25.350 6.409 16.303 1138 HG11 VAL 143 HG11 VAL 143 26.444 5.635 14.263 1139 HG12 VAL 143 HG12 VAL 143 24.950 5.902 13.363 1140 HG13 VAL 143 HG13 VAL 143 25.008 4.678 14.633 1141 HG21 VAL 143 HG21 VAL 143 25.050 8.375 14.040 1142 HG22 VAL 143 HG22 VAL 143 26.558 8.002 14.873 1143 HG23 VAL 143 HG23 VAL 143 25.231 8.769 15.749 1144 H ALA 144 H ALA 144 21.545 5.370 14.460 1145 HA ALA 144 HA ALA 144 21.703 3.233 16.460 1146 HB1 ALA 144 HB1 ALA 144 19.489 2.557 15.632 1147 HB2 ALA 144 HB2 ALA 144 19.548 3.862 14.445 1148 HB3 ALA 144 HB3 ALA 144 19.508 4.239 16.166 1149 H THR 145 H THR 145 23.068 1.690 15.904 1150 HA THR 145 HA THR 145 23.583 1.098 13.114 1151 HB THR 145 HB THR 145 24.797 -0.186 15.576 1152 HG1 THR 145 HG1 THR 145 25.605 1.808 15.699 1153 HG21 THR 145 HG21 THR 145 25.740 -0.125 12.705 1154 HG22 THR 145 HG22 THR 145 25.017 -1.517 13.513 1155 HG23 THR 145 HG23 THR 145 26.574 -0.890 14.056 1156 H GLU 146 H GLU 146 23.064 -0.773 12.070 1157 HA GLU 146 HA GLU 146 20.718 -2.116 12.868 1158 HB2 GLU 146 HB2 GLU 146 21.560 -1.750 10.511 1159 HB3 GLU 146 HB3 GLU 146 22.716 -3.042 10.800 1160 HG2 GLU 146 HG2 GLU 146 20.949 -4.634 11.082 1161 HG3 GLU 146 HG3 GLU 146 19.732 -3.359 10.993 1162 H VAL 147 H VAL 147 20.472 -3.696 14.261 1163 HA VAL 147 HA VAL 147 22.782 -5.119 15.295 1164 HB VAL 147 HB VAL 147 20.006 -5.853 16.110 1165 HG11 VAL 147 HG11 VAL 147 22.562 -5.444 17.651 1166 HG12 VAL 147 HG12 VAL 147 21.884 -6.988 17.132 1167 HG13 VAL 147 HG13 VAL 147 21.031 -6.008 18.324 1168 HG21 VAL 147 HG21 VAL 147 19.927 -3.414 15.967 1169 HG22 VAL 147 HG22 VAL 147 21.328 -3.316 17.036 1170 HG23 VAL 147 HG23 VAL 147 19.809 -3.992 17.629 1171 H LYS 148 H LYS 148 22.582 -7.516 15.556 1172 HA LYS 148 HA LYS 148 21.519 -8.676 13.085 1173 HB2 LYS 148 HB2 LYS 148 23.154 -10.599 13.786 1174 HB3 LYS 148 HB3 LYS 148 23.772 -9.155 12.999 1175 HG2 LYS 148 HG2 LYS 148 25.249 -9.598 14.757 1176 HG3 LYS 148 HG3 LYS 148 24.246 -8.256 15.306 1177 HD2 LYS 148 HD2 LYS 148 22.846 -9.863 16.559 1178 HD3 LYS 148 HD3 LYS 148 23.941 -11.159 16.068 1179 HE2 LYS 148 HE2 LYS 148 24.663 -8.732 17.708 1180 HE3 LYS 148 HE3 LYS 148 24.470 -10.377 18.313 1181 HZ1 LYS 148 HZ1 LYS 148 26.485 -9.567 16.283 1182 HZ2 LYS 148 HZ2 LYS 148 26.349 -11.082 17.038 1183 HZ3 LYS 148 HZ3 LYS 148 26.805 -9.720 17.941 1184 H6 2W7 201 H6 2W7 201 17.639 18.677 11.594 1185 H7 2W7 201 H7 2W7 201 16.813 19.200 9.317 1186 H8 2W7 201 H8 2W7 201 18.189 20.566 7.775 1187 H9 2W7 201 H9 2W7 201 20.411 21.387 8.496 1188 H3 2W7 201 H3 2W7 201 23.389 21.252 9.947 1189 H122 2W7 201 H122 2W7 201 21.595 19.026 9.120 1190 H121 2W7 201 H121 2W7 201 22.554 19.996 7.986 1191 H4 2W7 201 H4 2W7 201 24.828 19.761 7.900 1192 HZ12 2W7 201 HZ12 2W7 201 27.355 19.810 8.230 1193 HZ11 2W7 201 HZ11 2W7 201 26.873 18.871 6.803 1194 HY1 2W7 201 HY1 2W7 201 29.223 18.425 7.407 1195 HX22 2W7 201 HX22 2W7 201 29.745 17.298 9.531 1196 HX21 2W7 201 HX21 2W7 201 29.032 18.905 9.813 1197 HY3 2W7 201 HY3 2W7 201 27.995 17.202 11.301 1198 HZ21 2W7 201 HZ21 2W7 201 26.632 19.095 10.490 1199 HZ22 2W7 201 HZ22 2W7 201 25.652 17.634 10.702 1200 HX31 2W7 201 HX31 2W7 201 28.351 15.255 9.834 1201 HX32 2W7 201 HX32 2W7 201 26.647 15.391 10.310 1202 HY2 2W7 201 HY2 2W7 201 26.849 14.917 7.888 1203 HZ32 2W7 201 HZ32 2W7 201 24.969 16.300 8.694 1204 HZ31 2W7 201 HZ31 2W7 201 25.487 16.804 7.076 1205 HX12 2W7 201 HX12 2W7 201 29.059 15.957 7.565 1206 HX11 2W7 201 HX11 2W7 201 27.877 16.609 6.414 Start of MODEL 12 1 HA MET 1 HA MET 1 9.688 -8.311 1.143 2 HB2 MET 1 HB2 MET 1 6.858 -8.827 0.196 3 HB3 MET 1 HB3 MET 1 8.004 -10.029 0.771 4 HG2 MET 1 HG2 MET 1 7.936 -9.078 2.993 5 HG3 MET 1 HG3 MET 1 6.860 -7.798 2.434 6 HE1 MET 1 HE1 MET 1 5.066 -8.286 4.283 7 HE2 MET 1 HE2 MET 1 6.135 -9.516 4.956 8 HE3 MET 1 HE3 MET 1 4.441 -9.894 4.647 9 H GLN 2 H GLN 2 7.289 -8.292 -1.488 10 HA GLN 2 HA GLN 2 9.414 -8.733 -3.431 11 HB2 GLN 2 HB2 GLN 2 7.140 -9.870 -3.542 12 HB3 GLN 2 HB3 GLN 2 6.474 -8.294 -3.960 13 HG2 GLN 2 HG2 GLN 2 7.905 -8.217 -5.939 14 HG3 GLN 2 HG3 GLN 2 8.534 -9.815 -5.536 15 HE21 GLN 2 HE21 GLN 2 7.208 -11.614 -5.773 16 HE22 GLN 2 HE22 GLN 2 5.766 -11.568 -6.729 17 H ALA 3 H ALA 3 10.524 -7.020 -4.093 18 HA ALA 3 HA ALA 3 11.030 -4.972 -4.934 19 HB1 ALA 3 HB1 ALA 3 9.112 -5.102 -6.394 20 HB2 ALA 3 HB2 ALA 3 9.231 -3.467 -5.739 21 HB3 ALA 3 HB3 ALA 3 8.040 -4.598 -5.088 22 H LYS 4 H LYS 4 11.328 -2.831 -4.170 23 HA LYS 4 HA LYS 4 10.318 -2.369 -1.452 24 HB2 LYS 4 HB2 LYS 4 12.558 -1.446 -0.899 25 HB3 LYS 4 HB3 LYS 4 12.596 -3.158 -1.294 26 HG2 LYS 4 HG2 LYS 4 13.337 -2.556 -3.588 27 HG3 LYS 4 HG3 LYS 4 13.437 -0.874 -3.061 28 HD2 LYS 4 HD2 LYS 4 15.125 -1.427 -1.439 29 HD3 LYS 4 HD3 LYS 4 14.938 -3.150 -1.772 30 HE2 LYS 4 HE2 LYS 4 15.669 -2.732 -4.103 31 HE3 LYS 4 HE3 LYS 4 15.961 -1.048 -3.676 32 HZ1 LYS 4 HZ1 LYS 4 17.281 -3.330 -2.312 33 HZ2 LYS 4 HZ2 LYS 4 17.677 -1.682 -2.192 34 HZ3 LYS 4 HZ3 LYS 4 17.956 -2.514 -3.639 35 HA PRO 5 HA PRO 5 9.161 1.657 -2.944 36 HB2 PRO 5 HB2 PRO 5 9.347 3.052 -0.596 37 HB3 PRO 5 HB3 PRO 5 7.988 1.997 -0.999 38 HG2 PRO 5 HG2 PRO 5 10.380 1.439 0.711 39 HG3 PRO 5 HG3 PRO 5 8.679 1.014 0.989 40 HD2 PRO 5 HD2 PRO 5 10.467 -0.782 0.076 41 HD3 PRO 5 HD3 PRO 5 8.770 -0.799 -0.447 42 H GLN 6 H GLN 6 10.063 3.759 -3.306 43 HA GLN 6 HA GLN 6 12.968 3.866 -2.829 44 HB2 GLN 6 HB2 GLN 6 11.368 4.939 -5.161 45 HB3 GLN 6 HB3 GLN 6 13.083 5.238 -4.913 46 HG2 GLN 6 HG2 GLN 6 11.830 2.527 -5.287 47 HG3 GLN 6 HG3 GLN 6 12.648 3.456 -6.541 48 HE21 GLN 6 HE21 GLN 6 13.045 1.595 -3.624 49 HE22 GLN 6 HE22 GLN 6 14.761 1.394 -3.757 50 H ILE 7 H ILE 7 13.830 6.140 -2.907 51 HA ILE 7 HA ILE 7 12.117 7.872 -1.280 52 HB ILE 7 HB ILE 7 15.093 8.004 -1.812 53 HG12 ILE 7 HG12 ILE 7 13.612 7.257 0.719 54 HG13 ILE 7 HG13 ILE 7 14.290 6.088 -0.412 55 HG21 ILE 7 HG21 ILE 7 14.045 10.222 -1.391 56 HG22 ILE 7 HG22 ILE 7 15.207 9.744 -0.156 57 HG23 ILE 7 HG23 ILE 7 13.481 9.610 0.164 58 HD11 ILE 7 HD11 ILE 7 15.748 6.400 1.489 59 HD12 ILE 7 HD12 ILE 7 15.832 8.134 1.168 60 HD13 ILE 7 HD13 ILE 7 16.523 6.986 0.016 61 HA PRO 8 HA PRO 8 11.816 10.067 -5.202 62 HB2 PRO 8 HB2 PRO 8 9.270 10.802 -4.975 63 HB3 PRO 8 HB3 PRO 8 9.705 9.110 -5.244 64 HG2 PRO 8 HG2 PRO 8 8.772 10.452 -2.764 65 HG3 PRO 8 HG3 PRO 8 8.515 8.786 -3.307 66 HD2 PRO 8 HD2 PRO 8 10.466 9.711 -1.461 67 HD3 PRO 8 HD3 PRO 8 10.315 8.079 -2.135 68 H LYS 9 H LYS 9 10.657 12.270 -5.730 69 HA LYS 9 HA LYS 9 11.911 14.312 -4.125 70 HB2 LYS 9 HB2 LYS 9 11.603 15.672 -5.945 71 HB3 LYS 9 HB3 LYS 9 11.452 14.125 -6.763 72 HG2 LYS 9 HG2 LYS 9 8.912 14.408 -6.208 73 HG3 LYS 9 HG3 LYS 9 9.341 16.112 -6.061 74 HD2 LYS 9 HD2 LYS 9 8.717 15.929 -8.285 75 HD3 LYS 9 HD3 LYS 9 10.473 15.775 -8.361 76 HE2 LYS 9 HE2 LYS 9 9.505 14.089 -9.763 77 HE3 LYS 9 HE3 LYS 9 10.197 13.303 -8.345 78 HZ1 LYS 9 HZ1 LYS 9 7.973 13.176 -7.379 79 HZ2 LYS 9 HZ2 LYS 9 8.022 12.402 -8.880 80 HZ3 LYS 9 HZ3 LYS 9 7.316 13.937 -8.747 81 H ASP 10 H ASP 10 8.945 12.726 -4.242 82 HA ASP 10 HA ASP 10 7.185 14.836 -3.563 83 HB2 ASP 10 HB2 ASP 10 6.901 11.838 -3.319 84 HB3 ASP 10 HB3 ASP 10 5.591 12.985 -3.054 85 H LYS 11 H LYS 11 6.329 15.420 -1.596 86 HA LYS 11 HA LYS 11 8.329 15.135 0.484 87 HB2 LYS 11 HB2 LYS 11 5.967 17.005 0.295 88 HB3 LYS 11 HB3 LYS 11 7.278 17.107 1.460 89 HG2 LYS 11 HG2 LYS 11 7.531 17.430 -1.523 90 HG3 LYS 11 HG3 LYS 11 7.569 18.723 -0.324 91 HD2 LYS 11 HD2 LYS 11 9.605 17.872 0.618 92 HD3 LYS 11 HD3 LYS 11 9.528 16.432 -0.399 93 HE2 LYS 11 HE2 LYS 11 11.144 18.026 -1.274 94 HE3 LYS 11 HE3 LYS 11 9.795 17.820 -2.388 95 HZ1 LYS 11 HZ1 LYS 11 10.165 20.082 -0.495 96 HZ2 LYS 11 HZ2 LYS 11 8.842 19.883 -1.539 97 HZ3 LYS 11 HZ3 LYS 11 10.393 20.136 -2.175 98 H SER 12 H SER 12 4.934 14.382 -0.020 99 HA SER 12 HA SER 12 4.689 13.646 2.805 100 HB2 SER 12 HB2 SER 12 2.537 13.901 0.698 101 HB3 SER 12 HB3 SER 12 2.292 13.683 2.429 102 HG SER 12 HG SER 12 3.920 15.799 1.835 103 H LYS 13 H LYS 13 5.784 12.128 0.218 104 HA LYS 13 HA LYS 13 4.244 9.683 0.433 105 HB2 LYS 13 HB2 LYS 13 6.686 10.425 -1.176 106 HB3 LYS 13 HB3 LYS 13 5.992 8.810 -1.173 107 HG2 LYS 13 HG2 LYS 13 4.496 11.295 -1.961 108 HG3 LYS 13 HG3 LYS 13 5.300 10.208 -3.093 109 HD2 LYS 13 HD2 LYS 13 3.882 8.363 -2.301 110 HD3 LYS 13 HD3 LYS 13 3.067 9.476 -1.200 111 HE2 LYS 13 HE2 LYS 13 2.322 10.811 -3.121 112 HE3 LYS 13 HE3 LYS 13 3.118 9.675 -4.210 113 HZ1 LYS 13 HZ1 LYS 13 0.888 9.029 -2.354 114 HZ2 LYS 13 HZ2 LYS 13 1.656 7.927 -3.393 115 HZ3 LYS 13 HZ3 LYS 13 0.760 9.214 -4.037 116 H VAL 14 H VAL 14 4.569 9.027 2.558 117 HA VAL 14 HA VAL 14 7.080 8.816 3.794 118 HB VAL 14 HB VAL 14 5.245 8.785 5.261 119 HG11 VAL 14 HG11 VAL 14 4.160 6.459 3.688 120 HG12 VAL 14 HG12 VAL 14 3.482 8.086 3.797 121 HG13 VAL 14 HG13 VAL 14 3.492 7.037 5.214 122 HG21 VAL 14 HG21 VAL 14 7.058 7.308 5.952 123 HG22 VAL 14 HG22 VAL 14 6.282 5.956 5.126 124 HG23 VAL 14 HG23 VAL 14 5.500 6.705 6.518 125 H ALA 15 H ALA 15 8.706 7.622 3.228 126 HA ALA 15 HA ALA 15 8.311 5.176 1.694 127 HB1 ALA 15 HB1 ALA 15 9.939 6.819 0.892 128 HB2 ALA 15 HB2 ALA 15 10.712 5.283 1.283 129 HB3 ALA 15 HB3 ALA 15 10.851 6.649 2.392 130 H GLY 16 H GLY 16 9.268 6.225 4.865 131 HA2 GLY 16 HA2 GLY 16 9.631 3.422 5.644 132 HA3 GLY 16 HA3 GLY 16 10.906 4.571 6.017 133 H TYR 17 H TYR 17 9.389 3.014 7.875 134 HA TYR 17 HA TYR 17 8.047 5.173 9.377 135 HB2 TYR 17 HB2 TYR 17 6.958 2.731 8.587 136 HB3 TYR 17 HB3 TYR 17 7.423 2.460 10.259 137 HD1 TYR 17 HD1 TYR 17 5.316 4.498 8.025 138 HD2 TYR 17 HD2 TYR 17 6.230 3.518 12.066 139 HE1 TYR 17 HE1 TYR 17 3.278 5.657 8.765 140 HE2 TYR 17 HE2 TYR 17 4.186 4.674 12.808 141 HH TYR 17 HH TYR 17 2.632 6.371 12.043 142 H ILE 18 H ILE 18 8.888 5.650 11.332 143 HA ILE 18 HA ILE 18 11.063 3.934 12.310 144 HB ILE 18 HB ILE 18 11.692 6.269 11.893 145 HG12 ILE 18 HG12 ILE 18 12.592 6.806 14.173 146 HG13 ILE 18 HG13 ILE 18 11.625 5.477 14.806 147 HG21 ILE 18 HG21 ILE 18 10.798 8.096 13.251 148 HG22 ILE 18 HG22 ILE 18 9.639 6.981 13.977 149 HG23 ILE 18 HG23 ILE 18 9.549 7.346 12.256 150 HD11 ILE 18 HD11 ILE 18 13.800 5.232 12.739 151 HD12 ILE 18 HD12 ILE 18 12.847 3.910 13.419 152 HD13 ILE 18 HD13 ILE 18 13.940 4.832 14.453 153 H GLU 19 H GLU 19 10.869 2.859 14.185 154 HA GLU 19 HA GLU 19 8.704 3.584 16.019 155 HB2 GLU 19 HB2 GLU 19 9.197 0.779 15.004 156 HB3 GLU 19 HB3 GLU 19 8.079 1.207 16.290 157 HG2 GLU 19 HG2 GLU 19 6.826 2.592 14.656 158 HG3 GLU 19 HG3 GLU 19 7.897 1.987 13.393 159 H ILE 20 H ILE 20 9.778 4.133 17.752 160 HA ILE 20 HA ILE 20 11.666 2.169 18.884 161 HB ILE 20 HB ILE 20 11.564 5.135 19.494 162 HG12 ILE 20 HG12 ILE 20 13.589 3.592 17.847 163 HG13 ILE 20 HG13 ILE 20 12.365 4.677 17.194 164 HG21 ILE 20 HG21 ILE 20 13.685 4.718 20.667 165 HG22 ILE 20 HG22 ILE 20 13.531 2.997 20.316 166 HG23 ILE 20 HG23 ILE 20 12.355 3.791 21.363 167 HD11 ILE 20 HD11 ILE 20 14.609 5.473 19.034 168 HD12 ILE 20 HD12 ILE 20 13.399 6.553 18.342 169 HD13 ILE 20 HD13 ILE 20 14.552 5.733 17.291 170 HA PRO 21 HA PRO 21 7.809 1.791 21.249 171 HB2 PRO 21 HB2 PRO 21 8.724 -0.385 22.697 172 HB3 PRO 21 HB3 PRO 21 7.895 -0.473 21.140 173 HG2 PRO 21 HG2 PRO 21 10.819 -0.599 21.742 174 HG3 PRO 21 HG3 PRO 21 9.874 -1.512 20.550 175 HD2 PRO 21 HD2 PRO 21 11.419 0.562 19.833 176 HD3 PRO 21 HD3 PRO 21 9.866 0.239 19.033 177 H ASP 22 H ASP 22 11.052 1.697 22.638 178 HA ASP 22 HA ASP 22 10.352 2.063 25.325 179 HB2 ASP 22 HB2 ASP 22 12.868 2.956 23.895 180 HB3 ASP 22 HB3 ASP 22 12.684 2.785 25.639 181 H ALA 23 H ALA 23 10.616 4.297 22.683 182 HA ALA 23 HA ALA 23 10.210 6.554 24.529 183 HB1 ALA 23 HB1 ALA 23 12.246 6.746 23.217 184 HB2 ALA 23 HB2 ALA 23 11.077 7.987 22.750 185 HB3 ALA 23 HB3 ALA 23 11.316 6.567 21.727 186 H ASP 24 H ASP 24 8.451 4.534 22.792 187 HA ASP 24 HA ASP 24 6.433 4.546 21.745 188 HB2 ASP 24 HB2 ASP 24 6.236 7.182 23.205 189 HB3 ASP 24 HB3 ASP 24 4.894 6.465 22.318 190 H ILE 25 H ILE 25 8.785 5.722 20.384 191 HA ILE 25 HA ILE 25 7.685 7.833 18.728 192 HB ILE 25 HB ILE 25 10.362 6.424 18.665 193 HG12 ILE 25 HG12 ILE 25 9.546 9.200 19.552 194 HG13 ILE 25 HG13 ILE 25 10.050 7.876 20.600 195 HG21 ILE 25 HG21 ILE 25 9.284 8.621 16.915 196 HG22 ILE 25 HG22 ILE 25 9.981 7.072 16.427 197 HG23 ILE 25 HG23 ILE 25 11.013 8.328 17.123 198 HD11 ILE 25 HD11 ILE 25 12.276 7.944 19.620 199 HD12 ILE 25 HD12 ILE 25 11.825 9.510 20.293 200 HD13 ILE 25 HD13 ILE 25 11.772 9.251 18.550 201 H LYS 26 H LYS 26 6.129 7.064 17.443 202 HA LYS 26 HA LYS 26 6.844 4.917 15.581 203 HB2 LYS 26 HB2 LYS 26 5.457 3.967 17.396 204 HB3 LYS 26 HB3 LYS 26 4.211 5.155 17.057 205 HG2 LYS 26 HG2 LYS 26 3.811 4.175 14.887 206 HG3 LYS 26 HG3 LYS 26 5.145 3.044 15.123 207 HD2 LYS 26 HD2 LYS 26 2.697 3.188 16.884 208 HD3 LYS 26 HD3 LYS 26 2.906 2.048 15.552 209 HE2 LYS 26 HE2 LYS 26 4.845 1.086 16.642 210 HE3 LYS 26 HE3 LYS 26 4.739 2.276 17.938 211 HZ1 LYS 26 HZ1 LYS 26 2.621 0.285 17.320 212 HZ2 LYS 26 HZ2 LYS 26 2.675 1.341 18.649 213 HZ3 LYS 26 HZ3 LYS 26 3.806 0.084 18.520 214 H GLU 27 H GLU 27 7.162 6.399 13.940 215 HA GLU 27 HA GLU 27 4.817 7.866 12.996 216 HB2 GLU 27 HB2 GLU 27 7.382 9.101 13.953 217 HB3 GLU 27 HB3 GLU 27 6.385 9.908 12.748 218 HG2 GLU 27 HG2 GLU 27 5.246 8.994 15.363 219 HG3 GLU 27 HG3 GLU 27 6.079 10.540 15.205 220 HA PRO 28 HA PRO 28 6.575 7.029 8.974 221 HB2 PRO 28 HB2 PRO 28 5.386 8.994 7.545 222 HB3 PRO 28 HB3 PRO 28 4.496 7.588 8.144 223 HG2 PRO 28 HG2 PRO 28 4.684 10.341 9.309 224 HG3 PRO 28 HG3 PRO 28 3.248 9.330 9.067 225 HD2 PRO 28 HD2 PRO 28 4.470 9.517 11.464 226 HD3 PRO 28 HD3 PRO 28 3.704 8.017 10.913 227 H VAL 29 H VAL 29 8.126 7.799 7.525 228 HA VAL 29 HA VAL 29 9.527 10.257 8.333 229 HB VAL 29 HB VAL 29 10.545 7.872 6.766 230 HG11 VAL 29 HG11 VAL 29 12.752 8.938 6.939 231 HG12 VAL 29 HG12 VAL 29 11.996 10.357 7.665 232 HG13 VAL 29 HG13 VAL 29 11.616 9.907 6.001 233 HG21 VAL 29 HG21 VAL 29 10.256 7.369 9.122 234 HG22 VAL 29 HG22 VAL 29 11.178 8.806 9.559 235 HG23 VAL 29 HG23 VAL 29 11.970 7.471 8.722 236 H TYR 30 H TYR 30 9.952 11.837 6.766 237 HA TYR 30 HA TYR 30 8.382 11.464 4.304 238 HB2 TYR 30 HB2 TYR 30 8.834 13.978 5.915 239 HB3 TYR 30 HB3 TYR 30 8.018 13.926 4.355 240 HD1 TYR 30 HD1 TYR 30 5.938 12.395 4.180 241 HD2 TYR 30 HD2 TYR 30 7.613 13.672 7.873 242 HE1 TYR 30 HE1 TYR 30 3.809 11.896 5.309 243 HE2 TYR 30 HE2 TYR 30 5.492 13.182 9.014 244 HH TYR 30 HH TYR 30 3.139 12.946 8.501 245 HA PRO 31 HA PRO 31 12.483 11.694 2.396 246 HB2 PRO 31 HB2 PRO 31 10.556 11.505 0.118 247 HB3 PRO 31 HB3 PRO 31 12.079 10.648 0.374 248 HG2 PRO 31 HG2 PRO 31 9.782 9.407 0.791 249 HG3 PRO 31 HG3 PRO 31 11.139 9.172 1.913 250 HD2 PRO 31 HD2 PRO 31 8.667 10.821 2.239 251 HD3 PRO 31 HD3 PRO 31 9.548 9.861 3.447 252 H GLY 32 H GLY 32 13.429 13.116 0.833 253 HA2 GLY 32 HA2 GLY 32 12.989 15.064 -0.672 254 HA3 GLY 32 HA3 GLY 32 11.999 15.686 0.644 255 HA PRO 33 HA PRO 33 16.577 17.002 1.010 256 HB2 PRO 33 HB2 PRO 33 16.188 19.652 0.451 257 HB3 PRO 33 HB3 PRO 33 16.680 18.460 -0.757 258 HG2 PRO 33 HG2 PRO 33 13.963 19.576 -0.191 259 HG3 PRO 33 HG3 PRO 33 14.737 19.251 -1.753 260 HD2 PRO 33 HD2 PRO 33 12.905 17.586 -0.695 261 HD3 PRO 33 HD3 PRO 33 14.272 16.990 -1.657 262 H ALA 34 H ALA 34 17.251 17.739 2.955 263 HA ALA 34 HA ALA 34 15.464 18.261 5.045 264 HB1 ALA 34 HB1 ALA 34 17.425 18.881 6.352 265 HB2 ALA 34 HB2 ALA 34 18.387 18.994 4.876 266 HB3 ALA 34 HB3 ALA 34 17.748 17.435 5.394 267 H THR 35 H THR 35 14.090 19.909 4.901 268 HA THR 35 HA THR 35 15.143 22.613 4.514 269 HB THR 35 HB THR 35 12.998 23.020 3.110 270 HG1 THR 35 HG1 THR 35 13.349 20.201 2.737 271 HG21 THR 35 HG21 THR 35 14.165 22.387 1.031 272 HG22 THR 35 HG22 THR 35 15.318 21.449 1.980 273 HG23 THR 35 HG23 THR 35 15.233 23.199 2.173 274 HA PRO 36 HA PRO 36 12.606 23.841 7.887 275 HB2 PRO 36 HB2 PRO 36 11.325 26.063 6.796 276 HB3 PRO 36 HB3 PRO 36 12.908 26.066 7.577 277 HG2 PRO 36 HG2 PRO 36 12.224 25.975 4.673 278 HG3 PRO 36 HG3 PRO 36 13.550 26.824 5.490 279 HD2 PRO 36 HD2 PRO 36 13.981 24.557 4.139 280 HD3 PRO 36 HD3 PRO 36 14.842 24.899 5.655 281 H GLU 37 H GLU 37 11.017 23.744 4.740 282 HA GLU 37 HA GLU 37 8.356 23.708 5.679 283 HB2 GLU 37 HB2 GLU 37 9.509 22.599 3.111 284 HB3 GLU 37 HB3 GLU 37 7.811 22.915 3.416 285 HG2 GLU 37 HG2 GLU 37 8.274 25.293 3.618 286 HG3 GLU 37 HG3 GLU 37 9.990 24.984 3.344 287 H GLN 38 H GLN 38 10.610 21.116 4.783 288 HA GLN 38 HA GLN 38 8.688 19.043 5.156 289 HB2 GLN 38 HB2 GLN 38 11.630 19.121 4.635 290 HB3 GLN 38 HB3 GLN 38 10.879 17.610 5.140 291 HG2 GLN 38 HG2 GLN 38 10.112 19.255 2.737 292 HG3 GLN 38 HG3 GLN 38 11.026 17.746 2.723 293 HE21 GLN 38 HE21 GLN 38 9.964 15.806 3.089 294 HE22 GLN 38 HE22 GLN 38 8.240 15.672 3.071 295 H LEU 39 H LEU 39 11.469 20.170 7.062 296 HA LEU 39 HA LEU 39 11.056 18.359 9.191 297 HB2 LEU 39 HB2 LEU 39 12.581 20.928 8.904 298 HB3 LEU 39 HB3 LEU 39 12.468 20.116 10.452 299 HG LEU 39 HG LEU 39 14.556 19.587 9.293 300 HD11 LEU 39 HD11 LEU 39 14.434 17.152 9.484 301 HD12 LEU 39 HD12 LEU 39 12.673 17.254 9.523 302 HD13 LEU 39 HD13 LEU 39 13.627 17.961 10.827 303 HD21 LEU 39 HD21 LEU 39 14.570 18.192 7.293 304 HD22 LEU 39 HD22 LEU 39 13.823 19.761 6.987 305 HD23 LEU 39 HD23 LEU 39 12.814 18.328 7.190 306 H ASN 40 H ASN 40 9.315 21.051 8.212 307 HA ASN 40 HA ASN 40 8.263 21.814 10.776 308 HB2 ASN 40 HB2 ASN 40 8.308 23.340 8.803 309 HB3 ASN 40 HB3 ASN 40 7.141 22.293 8.004 310 HD21 ASN 40 HD21 ASN 40 7.646 24.737 10.342 311 HD22 ASN 40 HD22 ASN 40 5.987 25.015 10.739 312 H ARG 41 H ARG 41 7.490 19.535 8.252 313 HA ARG 41 HA ARG 41 4.917 18.886 9.468 314 HB2 ARG 41 HB2 ARG 41 6.234 17.869 6.948 315 HB3 ARG 41 HB3 ARG 41 4.643 17.385 7.510 316 HG2 ARG 41 HG2 ARG 41 5.418 20.202 6.786 317 HG3 ARG 41 HG3 ARG 41 4.592 19.074 5.712 318 HD2 ARG 41 HD2 ARG 41 2.824 20.280 6.561 319 HD3 ARG 41 HD3 ARG 41 2.872 18.909 7.666 320 HE ARG 41 HE ARG 41 4.445 21.074 8.632 321 HH11 ARG 41 HH11 ARG 41 1.145 19.925 8.345 322 HH12 ARG 41 HH12 ARG 41 0.561 20.897 9.668 323 HH21 ARG 41 HH21 ARG 41 3.673 22.390 10.322 324 HH22 ARG 41 HH22 ARG 41 1.987 22.342 10.754 325 H GLY 42 H GLY 42 8.017 17.331 8.664 326 HA2 GLY 42 HA2 GLY 42 7.692 15.498 10.871 327 HA3 GLY 42 HA3 GLY 42 7.550 14.738 9.296 328 H VAL 43 H VAL 43 9.397 13.482 9.811 329 HA VAL 43 HA VAL 43 11.945 14.917 9.995 330 HB VAL 43 HB VAL 43 11.314 11.972 10.320 331 HG11 VAL 43 HG11 VAL 43 13.572 12.262 9.469 332 HG12 VAL 43 HG12 VAL 43 13.613 11.755 11.157 333 HG13 VAL 43 HG13 VAL 43 13.917 13.439 10.736 334 HG21 VAL 43 HG21 VAL 43 11.812 12.363 12.690 335 HG22 VAL 43 HG22 VAL 43 10.444 13.332 12.141 336 HG23 VAL 43 HG23 VAL 43 12.027 14.081 12.357 337 H SER 44 H SER 44 13.464 14.848 8.379 338 HA SER 44 HA SER 44 12.700 13.404 5.935 339 HB2 SER 44 HB2 SER 44 13.669 16.268 6.142 340 HB3 SER 44 HB3 SER 44 13.442 15.385 4.628 341 HG SER 44 HG SER 44 11.214 15.059 5.400 342 H PHE 45 H PHE 45 14.438 12.860 4.531 343 HA PHE 45 HA PHE 45 16.753 12.017 5.957 344 HB2 PHE 45 HB2 PHE 45 16.072 11.907 3.011 345 HB3 PHE 45 HB3 PHE 45 17.506 11.170 3.717 346 HD1 PHE 45 HD1 PHE 45 17.254 9.313 5.344 347 HD2 PHE 45 HD2 PHE 45 13.968 10.847 3.115 348 HE1 PHE 45 HE1 PHE 45 15.972 7.270 5.833 349 HE2 PHE 45 HE2 PHE 45 12.680 8.809 3.600 350 HZ PHE 45 HZ PHE 45 13.682 7.023 4.967 351 H ALA 46 H ALA 46 18.874 12.666 5.777 352 HA ALA 46 HA ALA 46 19.372 15.320 4.722 353 HB1 ALA 46 HB1 ALA 46 20.443 14.629 6.816 354 HB2 ALA 46 HB2 ALA 46 21.647 14.999 5.584 355 HB3 ALA 46 HB3 ALA 46 21.265 13.321 5.970 356 H GLU 47 H GLU 47 19.850 11.995 3.908 357 HA GLU 47 HA GLU 47 21.157 12.699 1.383 358 HB2 GLU 47 HB2 GLU 47 20.593 9.976 2.594 359 HB3 GLU 47 HB3 GLU 47 21.549 10.290 1.152 360 HG2 GLU 47 HG2 GLU 47 23.275 11.306 2.400 361 HG3 GLU 47 HG3 GLU 47 22.272 11.398 3.846 362 H GLU 48 H GLU 48 19.565 13.439 0.035 363 HA GLU 48 HA GLU 48 16.908 12.288 0.154 364 HB2 GLU 48 HB2 GLU 48 16.272 14.005 -1.448 365 HB3 GLU 48 HB3 GLU 48 17.166 14.714 -0.115 366 HG2 GLU 48 HG2 GLU 48 18.560 13.967 -2.645 367 HG3 GLU 48 HG3 GLU 48 17.658 15.475 -2.531 368 H ASN 49 H ASN 49 19.389 10.876 -0.951 369 HA ASN 49 HA ASN 49 18.760 10.370 -3.699 370 HB2 ASN 49 HB2 ASN 49 20.747 9.314 -1.749 371 HB3 ASN 49 HB3 ASN 49 20.358 8.320 -3.151 372 HD21 ASN 49 HD21 ASN 49 20.848 9.064 -5.203 373 HD22 ASN 49 HD22 ASN 49 21.965 10.354 -5.467 374 H GLU 50 H GLU 50 18.593 7.938 -4.304 375 HA GLU 50 HA GLU 50 15.989 7.195 -3.311 376 HB2 GLU 50 HB2 GLU 50 15.875 5.758 -5.222 377 HB3 GLU 50 HB3 GLU 50 16.615 7.263 -5.741 378 HG2 GLU 50 HG2 GLU 50 17.950 4.608 -5.278 379 HG3 GLU 50 HG3 GLU 50 17.794 5.496 -6.790 380 H SER 51 H SER 51 18.623 6.664 -1.782 381 HA SER 51 HA SER 51 18.461 3.740 -1.648 382 HB2 SER 51 HB2 SER 51 20.600 5.300 -0.276 383 HB3 SER 51 HB3 SER 51 20.666 3.676 -0.947 384 HG SER 51 HG SER 51 20.157 5.264 -2.976 385 H LEU 52 H LEU 52 16.842 3.311 -0.265 386 HA LEU 52 HA LEU 52 17.188 4.320 2.473 387 HB2 LEU 52 HB2 LEU 52 14.819 3.353 2.764 388 HB3 LEU 52 HB3 LEU 52 15.017 4.870 1.917 389 HG LEU 52 HG LEU 52 14.830 3.621 -0.243 390 HD11 LEU 52 HD11 LEU 52 15.450 1.396 0.532 391 HD12 LEU 52 HD12 LEU 52 13.851 1.381 -0.212 392 HD13 LEU 52 HD13 LEU 52 14.009 1.338 1.545 393 HD21 LEU 52 HD21 LEU 52 12.949 4.829 0.704 394 HD22 LEU 52 HD22 LEU 52 12.512 3.418 1.669 395 HD23 LEU 52 HD23 LEU 52 12.402 3.350 -0.090 396 H ASP 53 H ASP 53 18.221 1.943 0.690 397 HA ASP 53 HA ASP 53 17.921 -0.094 2.797 398 HB2 ASP 53 HB2 ASP 53 16.567 -0.614 0.727 399 HB3 ASP 53 HB3 ASP 53 18.082 -0.703 -0.163 400 H ASP 54 H ASP 54 19.934 2.001 2.012 401 HA ASP 54 HA ASP 54 22.308 0.577 1.251 402 HB2 ASP 54 HB2 ASP 54 21.786 3.130 1.042 403 HB3 ASP 54 HB3 ASP 54 22.276 3.211 2.728 404 H GLN 55 H GLN 55 24.210 1.278 3.092 405 HA GLN 55 HA GLN 55 23.377 -0.299 5.406 406 HB2 GLN 55 HB2 GLN 55 25.797 -0.385 5.952 407 HB3 GLN 55 HB3 GLN 55 25.417 -1.050 4.372 408 HG2 GLN 55 HG2 GLN 55 26.101 1.158 3.394 409 HG3 GLN 55 HG3 GLN 55 26.691 1.593 4.998 410 HE21 GLN 55 HE21 GLN 55 28.464 0.484 5.858 411 HE22 GLN 55 HE22 GLN 55 29.544 -0.414 4.853 412 H ASN 56 H ASN 56 24.326 2.930 4.481 413 HA ASN 56 HA ASN 56 23.893 3.755 7.277 414 HB2 ASN 56 HB2 ASN 56 25.202 5.697 6.933 415 HB3 ASN 56 HB3 ASN 56 26.119 4.392 6.194 416 HD21 ASN 56 HD21 ASN 56 24.268 7.269 5.640 417 HD22 ASN 56 HD22 ASN 56 24.674 7.475 3.975 418 H ILE 57 H ILE 57 22.389 5.287 7.720 419 HA ILE 57 HA ILE 57 20.830 6.412 5.509 420 HB ILE 57 HB ILE 57 19.825 4.783 7.820 421 HG12 ILE 57 HG12 ILE 57 20.253 3.661 5.678 422 HG13 ILE 57 HG13 ILE 57 18.553 3.616 6.119 423 HG21 ILE 57 HG21 ILE 57 18.452 6.628 8.105 424 HG22 ILE 57 HG22 ILE 57 17.498 5.534 7.097 425 HG23 ILE 57 HG23 ILE 57 18.315 6.916 6.365 426 HD11 ILE 57 HD11 ILE 57 18.105 5.443 4.558 427 HD12 ILE 57 HD12 ILE 57 18.831 4.051 3.752 428 HD13 ILE 57 HD13 ILE 57 19.813 5.471 4.114 429 H SER 58 H SER 58 21.452 8.534 5.814 430 HA SER 58 HA SER 58 21.418 9.599 8.537 431 HB2 SER 58 HB2 SER 58 23.322 10.112 6.990 432 HB3 SER 58 HB3 SER 58 22.197 11.018 5.978 433 HG SER 58 HG SER 58 22.368 11.607 8.717 434 H ILE 59 H ILE 59 19.625 10.411 9.320 435 HA ILE 59 HA ILE 59 17.777 11.816 7.500 436 HB ILE 59 HB ILE 59 16.726 10.623 10.022 437 HG12 ILE 59 HG12 ILE 59 17.150 8.996 7.503 438 HG13 ILE 59 HG13 ILE 59 18.036 8.773 9.008 439 HG21 ILE 59 HG21 ILE 59 15.315 12.014 8.601 440 HG22 ILE 59 HG22 ILE 59 14.716 10.356 8.655 441 HG23 ILE 59 HG23 ILE 59 15.601 10.927 7.242 442 HD11 ILE 59 HD11 ILE 59 16.278 7.114 8.755 443 HD12 ILE 59 HD12 ILE 59 15.071 8.394 8.635 444 HD13 ILE 59 HD13 ILE 59 15.963 8.161 10.139 445 H ALA 60 H ALA 60 17.071 13.802 8.180 446 HA ALA 60 HA ALA 60 18.453 14.922 10.491 447 HB1 ALA 60 HB1 ALA 60 17.700 17.088 9.627 448 HB2 ALA 60 HB2 ALA 60 16.807 16.266 8.347 449 HB3 ALA 60 HB3 ALA 60 18.568 16.165 8.402 450 H GLY 61 H GLY 61 17.474 15.040 12.399 451 HA2 GLY 61 HA2 GLY 61 14.550 14.681 12.441 452 HA3 GLY 61 HA3 GLY 61 15.642 14.217 13.735 453 H HIS 62 H HIS 62 13.460 16.489 12.704 454 HA HIS 62 HA HIS 62 14.534 18.771 14.047 455 HB2 HIS 62 HB2 HIS 62 12.429 19.841 13.667 456 HB3 HIS 62 HB3 HIS 62 12.759 18.878 12.234 457 HD1 HIS 62 HD1 HIS 62 10.493 19.043 15.231 458 HD2 HIS 62 HD2 HIS 62 10.938 16.825 11.737 459 HE1 HIS 62 HE1 HIS 62 8.371 17.715 14.994 460 H THR 63 H THR 63 14.150 19.485 16.118 461 HA THR 63 HA THR 63 13.414 17.527 18.050 462 HB THR 63 HB THR 63 15.155 19.239 18.466 463 HG1 THR 63 HG1 THR 63 14.600 18.670 20.427 464 HG21 THR 63 HG21 THR 63 14.091 21.125 17.372 465 HG22 THR 63 HG22 THR 63 14.457 21.517 19.053 466 HG23 THR 63 HG23 THR 63 12.806 21.118 18.575 467 H PHE 64 H PHE 64 11.871 18.395 19.901 468 HA PHE 64 HA PHE 64 9.280 18.582 18.628 469 HB2 PHE 64 HB2 PHE 64 8.414 18.274 20.956 470 HB3 PHE 64 HB3 PHE 64 9.489 16.987 20.421 471 HD1 PHE 64 HD1 PHE 64 11.699 16.729 21.389 472 HD2 PHE 64 HD2 PHE 64 9.057 19.788 22.731 473 HE1 PHE 64 HE1 PHE 64 13.092 17.049 23.390 474 HE2 PHE 64 HE2 PHE 64 10.446 20.107 24.740 475 HZ PHE 64 HZ PHE 64 12.467 18.739 25.068 476 H ILE 65 H ILE 65 7.628 20.093 19.455 477 HA ILE 65 HA ILE 65 8.712 22.615 20.472 478 HB ILE 65 HB ILE 65 6.800 22.462 18.148 479 HG12 ILE 65 HG12 ILE 65 9.695 23.339 18.172 480 HG13 ILE 65 HG13 ILE 65 9.112 21.806 17.531 481 HG21 ILE 65 HG21 ILE 65 7.090 24.883 18.015 482 HG22 ILE 65 HG22 ILE 65 8.130 24.840 19.437 483 HG23 ILE 65 HG23 ILE 65 6.425 24.402 19.577 484 HD11 ILE 65 HD11 ILE 65 9.523 23.423 15.761 485 HD12 ILE 65 HD12 ILE 65 8.371 24.535 16.502 486 HD13 ILE 65 HD13 ILE 65 7.814 22.994 15.851 487 H ASP 66 H ASP 66 5.517 21.850 19.215 488 HA ASP 66 HA ASP 66 4.416 22.106 21.937 489 HB2 ASP 66 HB2 ASP 66 2.377 22.947 20.923 490 HB3 ASP 66 HB3 ASP 66 3.739 23.892 20.328 491 H ARG 67 H ARG 67 5.012 20.007 19.413 492 HA ARG 67 HA ARG 67 2.704 18.280 19.961 493 HB2 ARG 67 HB2 ARG 67 4.890 17.748 17.957 494 HB3 ARG 67 HB3 ARG 67 3.267 17.086 17.990 495 HG2 ARG 67 HG2 ARG 67 3.911 19.972 17.439 496 HG3 ARG 67 HG3 ARG 67 3.670 18.746 16.197 497 HD2 ARG 67 HD2 ARG 67 1.417 18.431 17.672 498 HD3 ARG 67 HD3 ARG 67 1.709 20.160 17.874 499 HE ARG 67 HE ARG 67 0.900 18.794 15.468 500 HH11 ARG 67 HH11 ARG 67 2.330 21.723 16.790 501 HH12 ARG 67 HH12 ARG 67 2.104 22.630 15.326 502 HH21 ARG 67 HH21 ARG 67 0.641 19.987 13.538 503 HH22 ARG 67 HH22 ARG 67 1.151 21.651 13.489 504 HA PRO 68 HA PRO 68 5.714 15.905 22.415 505 HB2 PRO 68 HB2 PRO 68 3.573 14.794 23.923 506 HB3 PRO 68 HB3 PRO 68 4.657 16.096 24.411 507 HG2 PRO 68 HG2 PRO 68 1.926 16.355 23.929 508 HG3 PRO 68 HG3 PRO 68 3.093 17.685 23.998 509 HD2 PRO 68 HD2 PRO 68 1.925 16.303 21.621 510 HD3 PRO 68 HD3 PRO 68 2.357 18.014 21.836 511 H ASN 69 H ASN 69 3.017 14.954 20.529 512 HA ASN 69 HA ASN 69 4.096 12.225 20.412 513 HB2 ASN 69 HB2 ASN 69 1.278 13.225 20.082 514 HB3 ASN 69 HB3 ASN 69 1.785 11.675 19.429 515 HD21 ASN 69 HD21 ASN 69 3.659 11.221 21.651 516 HD22 ASN 69 HD22 ASN 69 2.674 10.764 22.998 517 H TYR 70 H TYR 70 5.570 13.666 19.015 518 HA TYR 70 HA TYR 70 4.573 13.502 16.248 519 HB2 TYR 70 HB2 TYR 70 5.482 15.782 17.562 520 HB3 TYR 70 HB3 TYR 70 6.861 15.271 16.592 521 HD1 TYR 70 HD1 TYR 70 3.332 14.741 15.644 522 HD2 TYR 70 HD2 TYR 70 6.834 17.079 15.027 523 HE1 TYR 70 HE1 TYR 70 2.299 15.749 13.655 524 HE2 TYR 70 HE2 TYR 70 5.809 18.096 13.036 525 HH TYR 70 HH TYR 70 4.079 17.559 11.395 526 H GLN 71 H GLN 71 6.766 13.575 14.773 527 HA GLN 71 HA GLN 71 7.633 10.952 14.862 528 HB2 GLN 71 HB2 GLN 71 9.162 13.206 13.570 529 HB3 GLN 71 HB3 GLN 71 9.229 11.505 13.145 530 HG2 GLN 71 HG2 GLN 71 7.886 12.329 11.492 531 HG3 GLN 71 HG3 GLN 71 6.685 11.813 12.675 532 HE21 GLN 71 HE21 GLN 71 5.164 13.270 11.858 533 HE22 GLN 71 HE22 GLN 71 5.290 14.973 12.139 534 H PHE 72 H PHE 72 9.256 13.821 16.127 535 HA PHE 72 HA PHE 72 11.060 12.023 17.557 536 HB2 PHE 72 HB2 PHE 72 12.297 13.001 15.653 537 HB3 PHE 72 HB3 PHE 72 11.912 14.614 16.248 538 HD1 PHE 72 HD1 PHE 72 13.466 11.425 17.369 539 HD2 PHE 72 HD2 PHE 72 13.400 15.677 17.637 540 HE1 PHE 72 HE1 PHE 72 15.447 11.372 18.830 541 HE2 PHE 72 HE2 PHE 72 15.372 15.627 19.103 542 HZ PHE 72 HZ PHE 72 16.399 13.471 19.700 543 H THR 73 H THR 73 10.265 12.215 19.526 544 HA THR 73 HA THR 73 10.148 14.882 20.715 545 HB THR 73 HB THR 73 7.961 14.149 21.847 546 HG1 THR 73 HG1 THR 73 7.652 12.491 19.570 547 HG21 THR 73 HG21 THR 73 7.970 14.649 18.869 548 HG22 THR 73 HG22 THR 73 8.052 15.883 20.128 549 HG23 THR 73 HG23 THR 73 6.603 14.892 19.954 550 H ASN 74 H ASN 74 9.504 11.469 21.527 551 HA ASN 74 HA ASN 74 10.292 12.018 24.279 552 HB2 ASN 74 HB2 ASN 74 8.127 10.889 23.617 553 HB3 ASN 74 HB3 ASN 74 9.083 9.501 23.140 554 HD21 ASN 74 HD21 ASN 74 8.105 8.179 24.610 555 HD22 ASN 74 HD22 ASN 74 8.398 8.281 26.311 556 H LEU 75 H LEU 75 12.396 11.639 22.147 557 HA LEU 75 HA LEU 75 13.475 9.031 22.328 558 HB2 LEU 75 HB2 LEU 75 14.079 10.797 20.619 559 HB3 LEU 75 HB3 LEU 75 15.113 11.504 21.851 560 HG LEU 75 HG LEU 75 16.246 9.239 22.025 561 HD11 LEU 75 HD11 LEU 75 14.496 7.934 20.936 562 HD12 LEU 75 HD12 LEU 75 16.046 7.751 20.117 563 HD13 LEU 75 HD13 LEU 75 14.799 8.788 19.421 564 HD21 LEU 75 HD21 LEU 75 17.283 11.130 20.909 565 HD22 LEU 75 HD22 LEU 75 16.442 10.719 19.415 566 HD23 LEU 75 HD23 LEU 75 17.651 9.620 20.078 567 H LYS 76 H LYS 76 13.476 11.614 24.549 568 HA LYS 76 HA LYS 76 15.852 11.110 25.974 569 HB2 LYS 76 HB2 LYS 76 14.826 12.411 27.765 570 HB3 LYS 76 HB3 LYS 76 14.541 13.176 26.208 571 HG2 LYS 76 HG2 LYS 76 12.281 12.004 26.223 572 HG3 LYS 76 HG3 LYS 76 12.598 11.668 27.927 573 HD2 LYS 76 HD2 LYS 76 12.912 14.095 28.299 574 HD3 LYS 76 HD3 LYS 76 12.465 14.377 26.617 575 HE2 LYS 76 HE2 LYS 76 10.499 14.754 27.848 576 HE3 LYS 76 HE3 LYS 76 10.306 13.149 27.142 577 HZ1 LYS 76 HZ1 LYS 76 11.073 12.214 29.285 578 HZ2 LYS 76 HZ2 LYS 76 9.627 13.090 29.420 579 HZ3 LYS 76 HZ3 LYS 76 11.086 13.783 29.936 580 H ALA 77 H ALA 77 12.838 9.446 25.854 581 HA ALA 77 HA ALA 77 13.212 8.087 28.386 582 HB1 ALA 77 HB1 ALA 77 11.146 6.918 27.835 583 HB2 ALA 77 HB2 ALA 77 11.172 7.614 26.216 584 HB3 ALA 77 HB3 ALA 77 10.960 8.659 27.621 585 H ALA 78 H ALA 78 14.261 7.655 25.183 586 HA ALA 78 HA ALA 78 14.354 4.775 25.236 587 HB1 ALA 78 HB1 ALA 78 15.644 6.739 23.345 588 HB2 ALA 78 HB2 ALA 78 14.098 5.921 23.108 589 HB3 ALA 78 HB3 ALA 78 15.599 4.988 23.128 590 H LYS 79 H LYS 79 16.569 3.728 24.730 591 HA LYS 79 HA LYS 79 18.669 4.938 26.353 592 HB2 LYS 79 HB2 LYS 79 19.092 2.657 27.399 593 HB3 LYS 79 HB3 LYS 79 17.735 3.576 28.005 594 HG2 LYS 79 HG2 LYS 79 17.386 1.468 25.902 595 HG3 LYS 79 HG3 LYS 79 17.434 1.064 27.616 596 HD2 LYS 79 HD2 LYS 79 15.503 3.020 26.367 597 HD3 LYS 79 HD3 LYS 79 15.133 1.331 26.711 598 HE2 LYS 79 HE2 LYS 79 15.972 3.359 28.782 599 HE3 LYS 79 HE3 LYS 79 14.303 2.911 28.437 600 HZ1 LYS 79 HZ1 LYS 79 16.422 1.073 29.411 601 HZ2 LYS 79 HZ2 LYS 79 14.826 0.633 29.057 602 HZ3 LYS 79 HZ3 LYS 79 15.150 1.697 30.333 603 H LYS 80 H LYS 80 20.673 3.571 26.289 604 HA LYS 80 HA LYS 80 21.487 3.563 23.568 605 HB2 LYS 80 HB2 LYS 80 23.687 3.202 24.341 606 HB3 LYS 80 HB3 LYS 80 22.913 4.200 25.560 607 HG2 LYS 80 HG2 LYS 80 23.218 1.215 25.780 608 HG3 LYS 80 HG3 LYS 80 24.360 2.375 26.448 609 HD2 LYS 80 HD2 LYS 80 22.630 3.290 27.888 610 HD3 LYS 80 HD3 LYS 80 21.434 2.208 27.171 611 HE2 LYS 80 HE2 LYS 80 23.885 1.340 28.697 612 HE3 LYS 80 HE3 LYS 80 22.246 1.393 29.342 613 HZ1 LYS 80 HZ1 LYS 80 22.834 -0.835 28.648 614 HZ2 LYS 80 HZ2 LYS 80 23.173 -0.299 27.077 615 HZ3 LYS 80 HZ3 LYS 80 21.584 -0.237 27.671 616 H GLY 81 H GLY 81 20.056 1.177 25.402 617 HA2 GLY 81 HA2 GLY 81 20.896 -0.837 23.422 618 HA3 GLY 81 HA3 GLY 81 20.820 -1.246 25.124 619 H SER 82 H SER 82 18.578 0.774 23.313 620 HA SER 82 HA SER 82 16.356 -0.885 24.120 621 HB2 SER 82 HB2 SER 82 15.044 0.915 22.923 622 HB3 SER 82 HB3 SER 82 16.057 1.504 24.242 623 HG SER 82 HG SER 82 17.311 2.523 22.847 624 H MET 83 H MET 83 14.846 -0.177 21.673 625 HA MET 83 HA MET 83 16.189 -1.800 19.646 626 HB2 MET 83 HB2 MET 83 14.785 -3.356 20.916 627 HB3 MET 83 HB3 MET 83 13.388 -2.322 20.664 628 HG2 MET 83 HG2 MET 83 13.068 -3.948 19.085 629 HG3 MET 83 HG3 MET 83 13.877 -2.697 18.151 630 HE1 MET 83 HE1 MET 83 17.067 -3.085 18.728 631 HE2 MET 83 HE2 MET 83 16.188 -2.793 17.231 632 HE3 MET 83 HE3 MET 83 17.317 -4.147 17.339 633 H VAL 84 H VAL 84 16.357 -0.337 18.069 634 HA VAL 84 HA VAL 84 14.112 1.450 17.508 635 HB VAL 84 HB VAL 84 16.916 1.423 16.377 636 HG11 VAL 84 HG11 VAL 84 14.699 3.438 16.028 637 HG12 VAL 84 HG12 VAL 84 15.358 2.376 14.782 638 HG13 VAL 84 HG13 VAL 84 16.364 3.647 15.481 639 HG21 VAL 84 HG21 VAL 84 15.659 3.284 18.393 640 HG22 VAL 84 HG22 VAL 84 17.302 3.389 17.763 641 HG23 VAL 84 HG23 VAL 84 16.824 2.014 18.759 642 H TYR 85 H TYR 85 12.691 0.910 16.000 643 HA TYR 85 HA TYR 85 13.452 -1.087 13.984 644 HB2 TYR 85 HB2 TYR 85 10.743 -0.064 14.845 645 HB3 TYR 85 HB3 TYR 85 10.995 -1.211 13.539 646 HD1 TYR 85 HD1 TYR 85 12.231 -3.391 14.157 647 HD2 TYR 85 HD2 TYR 85 10.387 -0.826 16.998 648 HE1 TYR 85 HE1 TYR 85 12.100 -5.262 15.755 649 HE2 TYR 85 HE2 TYR 85 10.248 -2.682 18.602 650 HH TYR 85 HH TYR 85 10.231 -5.113 18.603 651 H PHE 86 H PHE 86 13.761 -0.530 11.943 652 HA PHE 86 HA PHE 86 12.553 1.985 10.998 653 HB2 PHE 86 HB2 PHE 86 15.048 2.126 11.213 654 HB3 PHE 86 HB3 PHE 86 15.175 0.829 10.028 655 HD1 PHE 86 HD1 PHE 86 13.265 4.023 10.324 656 HD2 PHE 86 HD2 PHE 86 15.771 1.546 7.932 657 HE1 PHE 86 HE1 PHE 86 13.183 5.691 8.518 658 HE2 PHE 86 HE2 PHE 86 15.689 3.209 6.119 659 HZ PHE 86 HZ PHE 86 14.392 5.284 6.413 660 H LYS 87 H LYS 87 10.891 1.400 9.799 661 HA LYS 87 HA LYS 87 11.051 -1.063 8.228 662 HB2 LYS 87 HB2 LYS 87 8.677 0.628 8.955 663 HB3 LYS 87 HB3 LYS 87 8.623 -0.915 8.144 664 HG2 LYS 87 HG2 LYS 87 9.604 -1.971 10.139 665 HG3 LYS 87 HG3 LYS 87 9.543 -0.408 10.955 666 HD2 LYS 87 HD2 LYS 87 7.178 -1.926 9.863 667 HD3 LYS 87 HD3 LYS 87 7.636 -1.812 11.562 668 HE2 LYS 87 HE2 LYS 87 7.385 0.676 11.364 669 HE3 LYS 87 HE3 LYS 87 6.705 0.421 9.756 670 HZ1 LYS 87 HZ1 LYS 87 4.967 0.626 11.429 671 HZ2 LYS 87 HZ2 LYS 87 5.623 -0.670 12.300 672 HZ3 LYS 87 HZ3 LYS 87 4.963 -0.934 10.763 673 H VAL 88 H VAL 88 11.620 -0.773 6.189 674 HA VAL 88 HA VAL 88 10.727 1.632 4.785 675 HB VAL 88 HB VAL 88 12.119 0.761 2.871 676 HG11 VAL 88 HG11 VAL 88 12.927 2.496 4.373 677 HG12 VAL 88 HG12 VAL 88 14.248 1.433 3.888 678 HG13 VAL 88 HG13 VAL 88 13.525 1.269 5.489 679 HG21 VAL 88 HG21 VAL 88 13.088 -1.190 4.963 680 HG22 VAL 88 HG22 VAL 88 13.834 -0.929 3.387 681 HG23 VAL 88 HG23 VAL 88 12.204 -1.599 3.493 682 H GLY 89 H GLY 89 8.703 1.484 4.128 683 HA2 GLY 89 HA2 GLY 89 6.783 0.634 3.165 684 HA3 GLY 89 HA3 GLY 89 7.762 -0.662 2.483 685 H ASN 90 H ASN 90 8.059 -2.575 3.651 686 HA ASN 90 HA ASN 90 6.527 -2.819 6.157 687 HB2 ASN 90 HB2 ASN 90 5.484 -3.864 4.002 688 HB3 ASN 90 HB3 ASN 90 6.723 -5.094 4.194 689 HD21 ASN 90 HD21 ASN 90 6.642 -5.095 7.104 690 HD22 ASN 90 HD22 ASN 90 5.147 -5.851 7.545 691 H GLU 91 H GLU 91 9.454 -3.124 4.565 692 HA GLU 91 HA GLU 91 10.457 -5.461 5.907 693 HB2 GLU 91 HB2 GLU 91 12.173 -3.378 4.589 694 HB3 GLU 91 HB3 GLU 91 12.458 -5.104 4.730 695 HG2 GLU 91 HG2 GLU 91 10.428 -3.760 2.959 696 HG3 GLU 91 HG3 GLU 91 11.923 -4.541 2.453 697 H THR 92 H THR 92 11.149 -5.489 7.933 698 HA THR 92 HA THR 92 11.624 -2.909 9.252 699 HB THR 92 HB THR 92 10.996 -5.572 10.540 700 HG1 THR 92 HG1 THR 92 9.341 -4.512 9.095 701 HG21 THR 92 HG21 THR 92 10.911 -2.745 11.606 702 HG22 THR 92 HG22 THR 92 12.110 -3.968 12.022 703 HG23 THR 92 HG23 THR 92 10.423 -4.192 12.488 704 H ARG 93 H ARG 93 13.695 -2.397 9.405 705 HA ARG 93 HA ARG 93 15.667 -4.489 10.025 706 HB2 ARG 93 HB2 ARG 93 16.071 -1.618 9.135 707 HB3 ARG 93 HB3 ARG 93 17.356 -2.785 9.423 708 HG2 ARG 93 HG2 ARG 93 16.622 -4.141 7.586 709 HG3 ARG 93 HG3 ARG 93 15.189 -3.139 7.362 710 HD2 ARG 93 HD2 ARG 93 16.835 -2.578 5.690 711 HD3 ARG 93 HD3 ARG 93 16.643 -1.228 6.805 712 HE ARG 93 HE ARG 93 18.751 -2.716 7.780 713 HH11 ARG 93 HH11 ARG 93 18.029 -1.023 4.791 714 HH12 ARG 93 HH12 ARG 93 19.690 -0.625 4.479 715 HH21 ARG 93 HH21 ARG 93 20.912 -2.217 7.351 716 HH22 ARG 93 HH22 ARG 93 21.325 -1.307 5.923 717 H LYS 94 H LYS 94 16.790 -4.453 11.967 718 HA LYS 94 HA LYS 94 15.669 -2.609 13.964 719 HB2 LYS 94 HB2 LYS 94 17.198 -5.089 14.677 720 HB3 LYS 94 HB3 LYS 94 15.977 -4.234 15.603 721 HG2 LYS 94 HG2 LYS 94 14.240 -5.033 14.092 722 HG3 LYS 94 HG3 LYS 94 15.460 -5.878 13.133 723 HD2 LYS 94 HD2 LYS 94 14.751 -6.409 16.020 724 HD3 LYS 94 HD3 LYS 94 14.364 -7.435 14.637 725 HE2 LYS 94 HE2 LYS 94 17.149 -6.745 15.572 726 HE3 LYS 94 HE3 LYS 94 16.308 -8.252 15.924 727 HZ1 LYS 94 HZ1 LYS 94 17.167 -7.263 13.257 728 HZ2 LYS 94 HZ2 LYS 94 16.179 -8.622 13.490 729 HZ3 LYS 94 HZ3 LYS 94 17.759 -8.614 14.102 730 H TYR 95 H TYR 95 16.952 -1.387 15.233 731 HA TYR 95 HA TYR 95 19.862 -1.600 14.859 732 HB2 TYR 95 HB2 TYR 95 18.264 0.968 14.844 733 HB3 TYR 95 HB3 TYR 95 20.019 0.849 14.746 734 HD1 TYR 95 HD1 TYR 95 16.862 0.214 12.963 735 HD2 TYR 95 HD2 TYR 95 21.105 0.301 12.681 736 HE1 TYR 95 HE1 TYR 95 16.700 0.045 10.514 737 HE2 TYR 95 HE2 TYR 95 20.954 0.140 10.234 738 HH TYR 95 HH TYR 95 18.085 0.635 8.542 739 H LYS 96 H LYS 96 21.133 -0.963 16.598 740 HA LYS 96 HA LYS 96 19.693 -0.647 19.147 741 HB2 LYS 96 HB2 LYS 96 21.218 -2.643 18.789 742 HB3 LYS 96 HB3 LYS 96 22.562 -1.515 18.732 743 HG2 LYS 96 HG2 LYS 96 22.520 -2.376 20.919 744 HG3 LYS 96 HG3 LYS 96 21.844 -0.752 21.036 745 HD2 LYS 96 HD2 LYS 96 20.556 -2.365 22.351 746 HD3 LYS 96 HD3 LYS 96 19.593 -1.672 21.046 747 HE2 LYS 96 HE2 LYS 96 20.001 -3.675 19.694 748 HE3 LYS 96 HE3 LYS 96 20.951 -4.368 21.008 749 HZ1 LYS 96 HZ1 LYS 96 18.605 -5.164 20.886 750 HZ2 LYS 96 HZ2 LYS 96 18.096 -3.595 21.283 751 HZ3 LYS 96 HZ3 LYS 96 19.027 -4.485 22.382 752 H MET 97 H MET 97 20.187 1.112 20.466 753 HA MET 97 HA MET 97 21.297 3.378 19.067 754 HB2 MET 97 HB2 MET 97 20.304 3.250 21.925 755 HB3 MET 97 HB3 MET 97 20.550 4.700 20.964 756 HG2 MET 97 HG2 MET 97 18.781 3.881 19.413 757 HG3 MET 97 HG3 MET 97 18.473 2.570 20.549 758 HE1 MET 97 HE1 MET 97 19.256 6.453 21.108 759 HE2 MET 97 HE2 MET 97 17.603 7.042 21.285 760 HE3 MET 97 HE3 MET 97 18.132 6.343 19.755 761 H THR 98 H THR 98 23.423 2.104 19.043 762 HA THR 98 HA THR 98 24.870 1.736 21.442 763 HB THR 98 HB THR 98 26.792 1.259 19.959 764 HG1 THR 98 HG1 THR 98 26.063 1.304 17.580 765 HG21 THR 98 HG21 THR 98 25.103 -0.493 20.373 766 HG22 THR 98 HG22 THR 98 25.819 -0.636 18.768 767 HG23 THR 98 HG23 THR 98 24.206 0.055 18.954 768 H SER 99 H SER 99 24.898 4.291 18.989 769 HA SER 99 HA SER 99 26.845 5.740 20.653 770 HB2 SER 99 HB2 SER 99 26.427 6.006 17.675 771 HB3 SER 99 HB3 SER 99 27.686 6.783 18.633 772 HG SER 99 HG SER 99 27.362 3.971 18.383 773 H ILE 100 H ILE 100 25.598 7.010 21.872 774 HA ILE 100 HA ILE 100 23.832 8.923 20.475 775 HB ILE 100 HB ILE 100 23.613 8.036 23.364 776 HG12 ILE 100 HG12 ILE 100 21.818 7.305 21.037 777 HG13 ILE 100 HG13 ILE 100 23.026 6.233 21.737 778 HG21 ILE 100 HG21 ILE 100 21.441 9.209 23.279 779 HG22 ILE 100 HG22 ILE 100 21.827 9.760 21.649 780 HG23 ILE 100 HG23 ILE 100 22.808 10.290 23.016 781 HD11 ILE 100 HD11 ILE 100 20.659 7.371 23.207 782 HD12 ILE 100 HD12 ILE 100 21.837 6.220 23.844 783 HD13 ILE 100 HD13 ILE 100 20.760 5.749 22.529 784 H ARG 101 H ARG 101 24.811 10.876 20.384 785 HA ARG 101 HA ARG 101 26.359 11.737 22.724 786 HB2 ARG 101 HB2 ARG 101 27.950 10.908 21.077 787 HB3 ARG 101 HB3 ARG 101 27.278 11.982 19.863 788 HG2 ARG 101 HG2 ARG 101 28.000 13.909 21.194 789 HG3 ARG 101 HG3 ARG 101 28.711 12.808 22.376 790 HD2 ARG 101 HD2 ARG 101 29.486 12.980 19.465 791 HD3 ARG 101 HD3 ARG 101 30.382 13.706 20.797 792 HE ARG 101 HE ARG 101 30.469 11.242 21.612 793 HH11 ARG 101 HH11 ARG 101 30.657 12.301 18.273 794 HH12 ARG 101 HH12 ARG 101 31.637 10.961 17.771 795 HH21 ARG 101 HH21 ARG 101 31.776 9.509 20.967 796 HH22 ARG 101 HH22 ARG 101 32.312 9.385 19.314 797 H ASP 102 H ASP 102 26.272 13.826 23.212 798 HA ASP 102 HA ASP 102 24.442 15.495 21.610 799 HB2 ASP 102 HB2 ASP 102 24.840 15.411 24.605 800 HB3 ASP 102 HB3 ASP 102 23.996 16.721 23.789 801 H VAL 103 H VAL 103 25.645 16.866 20.483 802 HA VAL 103 HA VAL 103 27.641 18.467 21.949 803 HB VAL 103 HB VAL 103 28.908 18.708 19.810 804 HG11 VAL 103 HG11 VAL 103 28.636 15.883 20.824 805 HG12 VAL 103 HG12 VAL 103 29.658 17.142 21.515 806 HG13 VAL 103 HG13 VAL 103 29.995 16.520 19.900 807 HG21 VAL 103 HG21 VAL 103 27.059 16.518 18.871 808 HG22 VAL 103 HG22 VAL 103 28.527 17.027 18.035 809 HG23 VAL 103 HG23 VAL 103 27.181 18.151 18.217 810 H LYS 104 H LYS 104 28.152 20.398 20.072 811 HA LYS 104 HA LYS 104 25.504 21.377 19.279 812 HB2 LYS 104 HB2 LYS 104 26.137 23.656 19.964 813 HB3 LYS 104 HB3 LYS 104 26.063 22.543 21.319 814 HG2 LYS 104 HG2 LYS 104 28.537 22.358 21.225 815 HG3 LYS 104 HG3 LYS 104 28.535 23.607 19.973 816 HD2 LYS 104 HD2 LYS 104 27.338 25.108 21.542 817 HD3 LYS 104 HD3 LYS 104 27.491 23.874 22.791 818 HE2 LYS 104 HE2 LYS 104 29.930 24.027 22.632 819 HE3 LYS 104 HE3 LYS 104 29.768 25.265 21.384 820 HZ1 LYS 104 HZ1 LYS 104 30.147 26.334 23.471 821 HZ2 LYS 104 HZ2 LYS 104 28.893 25.465 24.216 822 HZ3 LYS 104 HZ3 LYS 104 28.535 26.620 23.027 823 HA PRO 105 HA PRO 105 27.279 22.078 15.397 824 HB2 PRO 105 HB2 PRO 105 25.799 24.091 14.387 825 HB3 PRO 105 HB3 PRO 105 25.132 22.485 14.707 826 HG2 PRO 105 HG2 PRO 105 24.881 24.996 16.298 827 HG3 PRO 105 HG3 PRO 105 23.674 23.736 15.992 828 HD2 PRO 105 HD2 PRO 105 25.151 23.970 18.313 829 HD3 PRO 105 HD3 PRO 105 24.389 22.472 17.745 830 H THR 106 H THR 106 29.374 22.754 15.544 831 HA THR 106 HA THR 106 29.759 25.652 15.196 832 HB THR 106 HB THR 106 31.863 23.674 16.107 833 HG1 THR 106 HG1 THR 106 30.189 25.449 17.599 834 HG21 THR 106 HG21 THR 106 31.819 26.694 16.090 835 HG22 THR 106 HG22 THR 106 32.733 25.672 14.982 836 HG23 THR 106 HG23 THR 106 33.129 25.684 16.702 837 H ASP 107 H ASP 107 31.063 22.461 14.299 838 HA ASP 107 HA ASP 107 31.747 23.549 11.646 839 HB2 ASP 107 HB2 ASP 107 32.769 21.049 13.019 840 HB3 ASP 107 HB3 ASP 107 33.240 21.589 11.411 841 H VAL 108 H VAL 108 30.425 23.005 10.030 842 HA VAL 108 HA VAL 108 28.680 20.672 10.429 843 HB VAL 108 HB VAL 108 27.214 21.635 8.701 844 HG11 VAL 108 HG11 VAL 108 26.780 22.133 11.033 845 HG12 VAL 108 HG12 VAL 108 26.386 23.531 10.031 846 HG13 VAL 108 HG13 VAL 108 27.881 23.511 10.968 847 HG21 VAL 108 HG21 VAL 108 27.568 23.931 7.918 848 HG22 VAL 108 HG22 VAL 108 28.876 22.864 7.407 849 HG23 VAL 108 HG23 VAL 108 29.120 23.974 8.754 850 H GLU 109 H GLU 109 31.169 21.958 8.403 851 HA GLU 109 HA GLU 109 30.731 19.843 6.424 852 HB2 GLU 109 HB2 GLU 109 32.416 21.076 5.072 853 HB3 GLU 109 HB3 GLU 109 30.993 22.028 5.464 854 HG2 GLU 109 HG2 GLU 109 32.329 23.000 7.376 855 HG3 GLU 109 HG3 GLU 109 33.742 22.235 6.645 856 H VAL 110 H VAL 110 31.918 19.625 9.207 857 HA VAL 110 HA VAL 110 34.638 18.813 8.780 858 HB VAL 110 HB VAL 110 33.727 19.667 10.966 859 HG11 VAL 110 HG11 VAL 110 31.632 18.439 11.002 860 HG12 VAL 110 HG12 VAL 110 32.581 18.110 12.453 861 HG13 VAL 110 HG13 VAL 110 32.513 16.917 11.155 862 HG21 VAL 110 HG21 VAL 110 35.050 18.155 12.367 863 HG22 VAL 110 HG22 VAL 110 35.885 18.563 10.867 864 HG23 VAL 110 HG23 VAL 110 35.109 16.988 11.044 865 H LEU 111 H LEU 111 31.824 17.523 7.789 866 HA LEU 111 HA LEU 111 32.521 14.727 8.239 867 HB2 LEU 111 HB2 LEU 111 30.112 16.056 7.000 868 HB3 LEU 111 HB3 LEU 111 30.361 14.325 6.953 869 HG LEU 111 HG LEU 111 28.846 14.729 8.710 870 HD11 LEU 111 HD11 LEU 111 30.039 13.970 10.694 871 HD12 LEU 111 HD12 LEU 111 31.576 14.380 9.934 872 HD13 LEU 111 HD13 LEU 111 30.567 13.103 9.252 873 HD21 LEU 111 HD21 LEU 111 29.205 17.123 8.977 874 HD22 LEU 111 HD22 LEU 111 30.751 16.811 9.767 875 HD23 LEU 111 HD23 LEU 111 29.249 16.296 10.535 876 H ASP 112 H ASP 112 33.797 16.851 6.324 877 HA ASP 112 HA ASP 112 33.369 15.659 3.738 878 HB2 ASP 112 HB2 ASP 112 33.755 18.095 3.988 879 HB3 ASP 112 HB3 ASP 112 35.383 17.750 4.560 880 H GLU 113 H GLU 113 34.920 14.610 6.262 881 HA GLU 113 HA GLU 113 37.032 13.313 4.692 882 HB2 GLU 113 HB2 GLU 113 38.013 12.660 6.900 883 HB3 GLU 113 HB3 GLU 113 37.982 14.393 6.613 884 HG2 GLU 113 HG2 GLU 113 36.070 14.639 8.068 885 HG3 GLU 113 HG3 GLU 113 35.979 12.892 8.287 886 H GLN 114 H GLN 114 35.881 11.700 3.718 887 HA GLN 114 HA GLN 114 34.278 9.950 5.437 888 HB2 GLN 114 HB2 GLN 114 34.389 10.218 2.432 889 HB3 GLN 114 HB3 GLN 114 33.470 8.975 3.266 890 HG2 GLN 114 HG2 GLN 114 31.762 10.380 3.306 891 HG3 GLN 114 HG3 GLN 114 32.675 11.359 4.452 892 HE21 GLN 114 HE21 GLN 114 33.634 13.233 3.773 893 HE22 GLN 114 HE22 GLN 114 33.364 13.929 2.210 894 H LYS 115 H LYS 115 35.112 8.130 6.132 895 HA LYS 115 HA LYS 115 37.389 6.954 4.673 896 HB2 LYS 115 HB2 LYS 115 36.507 6.326 7.501 897 HB3 LYS 115 HB3 LYS 115 38.009 5.849 6.728 898 HG2 LYS 115 HG2 LYS 115 38.672 7.575 8.109 899 HG3 LYS 115 HG3 LYS 115 38.454 8.396 6.563 900 HD2 LYS 115 HD2 LYS 115 36.128 8.977 7.322 901 HD3 LYS 115 HD3 LYS 115 36.570 8.362 8.913 902 HE2 LYS 115 HE2 LYS 115 38.069 10.545 7.484 903 HE3 LYS 115 HE3 LYS 115 36.757 10.846 8.619 904 HZ1 LYS 115 HZ1 LYS 115 38.069 9.633 10.307 905 HZ2 LYS 115 HZ2 LYS 115 38.810 11.055 9.754 906 HZ3 LYS 115 HZ3 LYS 115 39.362 9.547 9.205 907 H GLY 116 H GLY 116 34.182 6.776 4.889 908 HA2 GLY 116 HA2 GLY 116 33.219 4.856 3.566 909 HA3 GLY 116 HA3 GLY 116 34.040 3.835 4.742 910 H LYS 117 H LYS 117 31.812 3.012 5.121 911 HA LYS 117 HA LYS 117 30.759 4.361 7.410 912 HB2 LYS 117 HB2 LYS 117 28.552 4.667 6.783 913 HB3 LYS 117 HB3 LYS 117 29.507 5.342 5.481 914 HG2 LYS 117 HG2 LYS 117 28.378 2.588 5.459 915 HG3 LYS 117 HG3 LYS 117 27.566 3.995 4.798 916 HD2 LYS 117 HD2 LYS 117 30.314 3.662 3.902 917 HD3 LYS 117 HD3 LYS 117 29.242 2.349 3.415 918 HE2 LYS 117 HE2 LYS 117 28.737 5.285 2.907 919 HE3 LYS 117 HE3 LYS 117 29.384 4.152 1.723 920 HZ1 LYS 117 HZ1 LYS 117 26.666 4.187 2.917 921 HZ2 LYS 117 HZ2 LYS 117 27.270 2.841 2.092 922 HZ3 LYS 117 HZ3 LYS 117 27.091 4.313 1.281 923 H ASP 118 H ASP 118 28.745 3.088 8.177 924 HA ASP 118 HA ASP 118 29.237 0.206 7.859 925 HB2 ASP 118 HB2 ASP 118 29.000 1.758 10.432 926 HB3 ASP 118 HB3 ASP 118 28.526 0.061 10.355 927 H LYS 119 H LYS 119 27.316 -0.830 9.349 928 HA LYS 119 HA LYS 119 24.856 0.046 8.088 929 HB2 LYS 119 HB2 LYS 119 25.578 -2.255 9.892 930 HB3 LYS 119 HB3 LYS 119 23.925 -1.933 9.386 931 HG2 LYS 119 HG2 LYS 119 24.333 -2.512 7.204 932 HG3 LYS 119 HG3 LYS 119 26.065 -2.183 7.329 933 HD2 LYS 119 HD2 LYS 119 26.493 -4.169 8.438 934 HD3 LYS 119 HD3 LYS 119 24.809 -4.371 8.929 935 HE2 LYS 119 HE2 LYS 119 25.870 -4.599 6.111 936 HE3 LYS 119 HE3 LYS 119 25.418 -5.948 7.154 937 HZ1 LYS 119 HZ1 LYS 119 23.622 -3.858 6.044 938 HZ2 LYS 119 HZ2 LYS 119 23.146 -4.960 7.239 939 HZ3 LYS 119 HZ3 LYS 119 23.604 -5.519 5.702 940 H GLN 120 H GLN 120 24.173 1.923 8.995 941 HA GLN 120 HA GLN 120 23.250 1.913 11.708 942 HB2 GLN 120 HB2 GLN 120 24.699 3.752 12.496 943 HB3 GLN 120 HB3 GLN 120 25.615 2.294 12.140 944 HG2 GLN 120 HG2 GLN 120 26.230 3.268 9.949 945 HG3 GLN 120 HG3 GLN 120 25.404 4.753 10.416 946 HE21 GLN 120 HE21 GLN 120 27.244 6.006 10.332 947 HE22 GLN 120 HE22 GLN 120 28.528 5.864 11.482 948 H LEU 121 H LEU 121 21.654 3.401 11.998 949 HA LEU 121 HA LEU 121 21.124 5.283 9.835 950 HB2 LEU 121 HB2 LEU 121 19.553 5.148 12.396 951 HB3 LEU 121 HB3 LEU 121 19.043 5.746 10.825 952 HG LEU 121 HG LEU 121 19.512 2.841 11.494 953 HD11 LEU 121 HD11 LEU 121 16.953 4.403 11.166 954 HD12 LEU 121 HD12 LEU 121 17.591 3.767 12.681 955 HD13 LEU 121 HD13 LEU 121 17.079 2.661 11.407 956 HD21 LEU 121 HD21 LEU 121 18.350 4.175 9.053 957 HD22 LEU 121 HD22 LEU 121 18.413 2.437 9.344 958 HD23 LEU 121 HD23 LEU 121 19.907 3.352 9.146 959 H THR 122 H THR 122 21.611 7.371 9.939 960 HA THR 122 HA THR 122 22.864 8.340 12.411 961 HB THR 122 HB THR 122 23.114 9.557 9.653 962 HG1 THR 122 HG1 THR 122 24.040 7.228 10.433 963 HG21 THR 122 HG21 THR 122 24.770 9.818 12.167 964 HG22 THR 122 HG22 THR 122 23.696 11.047 11.498 965 HG23 THR 122 HG23 THR 122 25.145 10.567 10.616 966 H LEU 123 H LEU 123 20.947 8.883 13.452 967 HA LEU 123 HA LEU 123 19.148 10.779 12.200 968 HB2 LEU 123 HB2 LEU 123 19.145 9.305 14.812 969 HB3 LEU 123 HB3 LEU 123 18.086 10.681 14.571 970 HG LEU 123 HG LEU 123 18.094 8.170 12.888 971 HD11 LEU 123 HD11 LEU 123 15.926 7.733 13.927 972 HD12 LEU 123 HD12 LEU 123 16.125 9.158 14.947 973 HD13 LEU 123 HD13 LEU 123 17.213 7.785 15.130 974 HD21 LEU 123 HD21 LEU 123 16.109 9.100 11.853 975 HD22 LEU 123 HD22 LEU 123 17.473 10.200 11.650 976 HD23 LEU 123 HD23 LEU 123 16.236 10.544 12.859 977 H ILE 124 H ILE 124 20.144 12.665 11.961 978 HA ILE 124 HA ILE 124 21.667 13.812 14.151 979 HB ILE 124 HB ILE 124 21.078 14.982 11.426 980 HG12 ILE 124 HG12 ILE 124 23.545 13.515 12.387 981 HG13 ILE 124 HG13 ILE 124 22.296 12.793 11.381 982 HG21 ILE 124 HG21 ILE 124 22.998 16.432 11.904 983 HG22 ILE 124 HG22 ILE 124 23.146 15.705 13.504 984 HG23 ILE 124 HG23 ILE 124 21.713 16.648 13.093 985 HD11 ILE 124 HD11 ILE 124 24.228 13.465 10.077 986 HD12 ILE 124 HD12 ILE 124 24.031 15.130 10.628 987 HD13 ILE 124 HD13 ILE 124 22.796 14.385 9.614 988 H THR 125 H THR 125 20.264 14.368 15.716 989 HA THR 125 HA THR 125 17.948 16.006 14.961 990 HB THR 125 HB THR 125 16.992 15.319 17.162 991 HG1 THR 125 HG1 THR 125 19.448 14.497 17.640 992 HG21 THR 125 HG21 THR 125 17.771 13.038 15.338 993 HG22 THR 125 HG22 THR 125 16.393 14.115 15.112 994 HG23 THR 125 HG23 THR 125 16.441 13.023 16.498 995 H CYS 126 H CYS 126 18.729 18.060 15.029 996 HA CYS 126 HA CYS 126 20.513 19.057 16.949 997 HB2 CYS 126 HB2 CYS 126 18.562 20.364 15.080 998 HB3 CYS 126 HB3 CYS 126 19.467 21.322 16.247 999 H ASP 127 H ASP 127 20.265 19.320 18.995 1000 HA ASP 127 HA ASP 127 17.615 19.257 20.199 1001 HB2 ASP 127 HB2 ASP 127 19.328 17.707 21.045 1002 HB3 ASP 127 HB3 ASP 127 20.386 19.062 21.419 1003 H ASP 128 H ASP 128 17.129 20.745 21.971 1004 HA ASP 128 HA ASP 128 16.986 22.760 23.013 1005 HB2 ASP 128 HB2 ASP 128 19.562 22.279 23.152 1006 HB3 ASP 128 HB3 ASP 128 19.666 23.591 21.985 1007 H TYR 129 H TYR 129 15.550 24.091 22.143 1008 HA TYR 129 HA TYR 129 16.156 25.338 19.550 1009 HB2 TYR 129 HB2 TYR 129 13.842 24.879 18.837 1010 HB3 TYR 129 HB3 TYR 129 14.709 23.385 19.182 1011 HD1 TYR 129 HD1 TYR 129 14.298 22.244 21.417 1012 HD2 TYR 129 HD2 TYR 129 11.828 25.390 19.971 1013 HE1 TYR 129 HE1 TYR 129 12.538 21.581 22.998 1014 HE2 TYR 129 HE2 TYR 129 10.063 24.739 21.556 1015 HH TYR 129 HH TYR 129 9.366 22.704 22.802 1016 H ASN 130 H ASN 130 15.081 27.317 19.135 1017 HA ASN 130 HA ASN 130 13.621 28.487 21.406 1018 HB2 ASN 130 HB2 ASN 130 15.487 29.875 20.599 1019 HB3 ASN 130 HB3 ASN 130 14.813 29.851 18.973 1020 HD21 ASN 130 HD21 ASN 130 13.450 31.422 18.415 1021 HD22 ASN 130 HD22 ASN 130 12.713 32.543 19.516 1022 H GLU 131 H GLU 131 11.516 28.197 21.273 1023 HA GLU 131 HA GLU 131 10.391 26.752 19.183 1024 HB2 GLU 131 HB2 GLU 131 8.249 27.108 20.365 1025 HB3 GLU 131 HB3 GLU 131 9.559 26.586 21.416 1026 HG2 GLU 131 HG2 GLU 131 9.860 29.146 21.819 1027 HG3 GLU 131 HG3 GLU 131 8.190 29.221 21.258 1028 H LYS 132 H LYS 132 10.519 30.220 19.521 1029 HA LYS 132 HA LYS 132 8.309 30.776 17.799 1030 HB2 LYS 132 HB2 LYS 132 9.641 32.294 19.530 1031 HB3 LYS 132 HB3 LYS 132 10.568 32.704 18.096 1032 HG2 LYS 132 HG2 LYS 132 7.581 33.000 18.349 1033 HG3 LYS 132 HG3 LYS 132 8.751 34.297 18.583 1034 HD2 LYS 132 HD2 LYS 132 9.438 34.183 16.297 1035 HD3 LYS 132 HD3 LYS 132 8.495 32.714 16.031 1036 HE2 LYS 132 HE2 LYS 132 7.321 35.387 16.786 1037 HE3 LYS 132 HE3 LYS 132 7.437 34.782 15.134 1038 HZ1 LYS 132 HZ1 LYS 132 5.246 34.408 16.202 1039 HZ2 LYS 132 HZ2 LYS 132 5.993 33.368 17.314 1040 HZ3 LYS 132 HZ3 LYS 132 5.988 32.983 15.664 1041 H THR 133 H THR 133 11.812 31.073 17.341 1042 HA THR 133 HA THR 133 11.468 31.462 14.491 1043 HB THR 133 HB THR 133 13.991 31.757 14.598 1044 HG1 THR 133 HG1 THR 133 14.822 32.040 16.745 1045 HG21 THR 133 HG21 THR 133 12.280 33.516 16.365 1046 HG22 THR 133 HG22 THR 133 12.458 33.668 14.616 1047 HG23 THR 133 HG23 THR 133 13.840 33.963 15.673 1048 H GLY 134 H GLY 134 13.186 29.243 16.660 1049 HA2 GLY 134 HA2 GLY 134 13.255 26.883 16.261 1050 HA3 GLY 134 HA3 GLY 134 13.095 27.205 14.541 1051 H VAL 135 H VAL 135 15.335 28.744 16.822 1052 HA VAL 135 HA VAL 135 17.555 28.004 15.130 1053 HB VAL 135 HB VAL 135 17.460 30.230 16.226 1054 HG11 VAL 135 HG11 VAL 135 16.526 29.580 18.358 1055 HG12 VAL 135 HG12 VAL 135 18.054 30.428 18.588 1056 HG13 VAL 135 HG13 VAL 135 17.986 28.672 18.741 1057 HG21 VAL 135 HG21 VAL 135 19.851 28.552 16.963 1058 HG22 VAL 135 HG22 VAL 135 19.817 30.313 16.878 1059 HG23 VAL 135 HG23 VAL 135 19.580 29.354 15.415 1060 H TRP 136 H TRP 136 19.314 26.741 15.765 1061 HA TRP 136 HA TRP 136 18.585 24.659 17.707 1062 HB2 TRP 136 HB2 TRP 136 20.640 24.413 15.505 1063 HB3 TRP 136 HB3 TRP 136 19.843 23.119 16.396 1064 HD1 TRP 136 HD1 TRP 136 17.249 22.605 15.731 1065 HE1 TRP 136 HE1 TRP 136 15.973 23.017 13.533 1066 HE3 TRP 136 HE3 TRP 136 20.434 25.953 13.547 1067 HZ2 TRP 136 HZ2 TRP 136 16.270 24.557 11.191 1068 HZ3 TRP 136 HZ3 TRP 136 19.862 26.850 11.327 1069 HH2 TRP 136 HH2 TRP 136 17.822 26.164 10.175 1070 H GLU 137 H GLU 137 19.613 24.829 19.582 1071 HA GLU 137 HA GLU 137 22.125 26.300 19.710 1072 HB2 GLU 137 HB2 GLU 137 20.287 25.253 21.863 1073 HB3 GLU 137 HB3 GLU 137 21.784 26.117 22.183 1074 HG2 GLU 137 HG2 GLU 137 19.563 27.267 20.523 1075 HG3 GLU 137 HG3 GLU 137 19.659 27.471 22.271 1076 H LYS 138 H LYS 138 20.928 23.039 19.992 1077 HA LYS 138 HA LYS 138 23.725 22.155 20.288 1078 HB2 LYS 138 HB2 LYS 138 21.321 20.651 21.340 1079 HB3 LYS 138 HB3 LYS 138 23.002 20.177 21.497 1080 HG2 LYS 138 HG2 LYS 138 23.270 22.357 22.837 1081 HG3 LYS 138 HG3 LYS 138 21.505 22.330 22.938 1082 HD2 LYS 138 HD2 LYS 138 21.920 19.827 23.652 1083 HD3 LYS 138 HD3 LYS 138 23.509 20.448 24.098 1084 HE2 LYS 138 HE2 LYS 138 22.156 20.563 26.041 1085 HE3 LYS 138 HE3 LYS 138 22.319 22.211 25.438 1086 HZ1 LYS 138 HZ1 LYS 138 20.145 22.262 24.726 1087 HZ2 LYS 138 HZ2 LYS 138 20.007 21.336 26.138 1088 HZ3 LYS 138 HZ3 LYS 138 20.009 20.574 24.621 1089 H ARG 139 H ARG 139 23.767 19.696 19.632 1090 HA ARG 139 HA ARG 139 21.765 18.909 17.724 1091 HB2 ARG 139 HB2 ARG 139 23.385 18.427 15.902 1092 HB3 ARG 139 HB3 ARG 139 23.171 20.143 16.205 1093 HG2 ARG 139 HG2 ARG 139 25.281 20.268 17.334 1094 HG3 ARG 139 HG3 ARG 139 25.477 18.515 17.247 1095 HD2 ARG 139 HD2 ARG 139 25.554 18.634 14.814 1096 HD3 ARG 139 HD3 ARG 139 25.308 20.378 14.880 1097 HE ARG 139 HE ARG 139 27.564 19.810 16.402 1098 HH11 ARG 139 HH11 ARG 139 26.536 19.560 13.046 1099 HH12 ARG 139 HH12 ARG 139 28.157 19.768 12.431 1100 HH21 ARG 139 HH21 ARG 139 29.684 20.082 15.558 1101 HH22 ARG 139 HH22 ARG 139 29.926 20.065 13.838 1102 H LYS 140 H LYS 140 21.295 17.108 18.839 1103 HA LYS 140 HA LYS 140 23.433 15.329 19.694 1104 HB2 LYS 140 HB2 LYS 140 21.545 15.539 21.209 1105 HB3 LYS 140 HB3 LYS 140 20.427 15.090 19.925 1106 HG2 LYS 140 HG2 LYS 140 22.188 12.986 19.943 1107 HG3 LYS 140 HG3 LYS 140 22.068 13.409 21.651 1108 HD2 LYS 140 HD2 LYS 140 19.537 13.285 20.134 1109 HD3 LYS 140 HD3 LYS 140 20.365 11.752 20.409 1110 HE2 LYS 140 HE2 LYS 140 18.712 12.296 22.178 1111 HE3 LYS 140 HE3 LYS 140 20.354 12.112 22.793 1112 HZ1 LYS 140 HZ1 LYS 140 19.261 14.009 23.789 1113 HZ2 LYS 140 HZ2 LYS 140 18.972 14.695 22.267 1114 HZ3 LYS 140 HZ3 LYS 140 20.565 14.530 22.838 1115 H ILE 141 H ILE 141 24.264 13.987 18.233 1116 HA ILE 141 HA ILE 141 22.568 13.110 16.080 1117 HB ILE 141 HB ILE 141 24.593 14.108 15.367 1118 HG12 ILE 141 HG12 ILE 141 25.033 11.150 15.148 1119 HG13 ILE 141 HG13 ILE 141 23.811 12.033 14.241 1120 HG21 ILE 141 HG21 ILE 141 25.918 13.952 17.372 1121 HG22 ILE 141 HG22 ILE 141 26.820 13.245 16.029 1122 HG23 ILE 141 HG23 ILE 141 26.024 12.201 17.205 1123 HD11 ILE 141 HD11 ILE 141 25.502 13.366 13.171 1124 HD12 ILE 141 HD12 ILE 141 25.879 11.652 12.956 1125 HD13 ILE 141 HD13 ILE 141 26.753 12.608 14.156 1126 H PHE 142 H PHE 142 21.653 11.283 16.200 1127 HA PHE 142 HA PHE 142 22.622 9.275 18.102 1128 HB2 PHE 142 HB2 PHE 142 20.412 9.719 18.673 1129 HB3 PHE 142 HB3 PHE 142 19.919 9.966 17.001 1130 HD1 PHE 142 HD1 PHE 142 21.535 7.146 18.843 1131 HD2 PHE 142 HD2 PHE 142 18.327 8.480 16.398 1132 HE1 PHE 142 HE1 PHE 142 20.657 4.851 18.743 1133 HE2 PHE 142 HE2 PHE 142 17.435 6.193 16.300 1134 HZ PHE 142 HZ PHE 142 18.606 4.374 17.471 1135 H VAL 143 H VAL 143 23.807 7.738 17.276 1136 HA VAL 143 HA VAL 143 23.267 6.842 14.528 1137 HB VAL 143 HB VAL 143 25.808 6.635 16.150 1138 HG11 VAL 143 HG11 VAL 143 26.821 5.675 14.143 1139 HG12 VAL 143 HG12 VAL 143 25.248 5.691 13.344 1140 HG13 VAL 143 HG13 VAL 143 25.511 4.661 14.751 1141 HG21 VAL 143 HG21 VAL 143 25.354 8.877 15.276 1142 HG22 VAL 143 HG22 VAL 143 25.191 8.208 13.654 1143 HG23 VAL 143 HG23 VAL 143 26.744 8.142 14.484 1144 H ALA 144 H ALA 144 22.095 5.075 14.475 1145 HA ALA 144 HA ALA 144 22.314 3.114 16.661 1146 HB1 ALA 144 HB1 ALA 144 20.076 4.011 16.238 1147 HB2 ALA 144 HB2 ALA 144 20.154 2.280 15.910 1148 HB3 ALA 144 HB3 ALA 144 20.159 3.431 14.574 1149 H THR 145 H THR 145 23.544 1.427 16.270 1150 HA THR 145 HA THR 145 24.339 0.735 13.588 1151 HB THR 145 HB THR 145 24.912 -0.861 16.088 1152 HG1 THR 145 HG1 THR 145 26.285 1.426 15.057 1153 HG21 THR 145 HG21 THR 145 25.523 -1.940 13.983 1154 HG22 THR 145 HG22 THR 145 26.971 -1.456 14.867 1155 HG23 THR 145 HG23 THR 145 26.419 -0.503 13.489 1156 H GLU 146 H GLU 146 23.608 -0.928 12.355 1157 HA GLU 146 HA GLU 146 21.104 -2.092 12.848 1158 HB2 GLU 146 HB2 GLU 146 22.042 -1.833 10.593 1159 HB3 GLU 146 HB3 GLU 146 23.288 -3.016 10.966 1160 HG2 GLU 146 HG2 GLU 146 21.613 -4.749 11.195 1161 HG3 GLU 146 HG3 GLU 146 20.330 -3.574 10.916 1162 H VAL 147 H VAL 147 20.515 -3.714 14.094 1163 HA VAL 147 HA VAL 147 22.601 -5.531 15.063 1164 HB VAL 147 HB VAL 147 21.774 -4.217 16.847 1165 HG11 VAL 147 HG11 VAL 147 19.672 -3.531 15.886 1166 HG12 VAL 147 HG12 VAL 147 19.427 -4.178 17.509 1167 HG13 VAL 147 HG13 VAL 147 19.033 -5.159 16.095 1168 HG21 VAL 147 HG21 VAL 147 20.901 -5.885 18.397 1169 HG22 VAL 147 HG22 VAL 147 22.247 -6.503 17.439 1170 HG23 VAL 147 HG23 VAL 147 20.594 -6.966 17.035 1171 H LYS 148 H LYS 148 22.022 -7.656 15.495 1172 HA LYS 148 HA LYS 148 20.151 -8.674 13.492 1173 HB2 LYS 148 HB2 LYS 148 21.333 -10.835 13.718 1174 HB3 LYS 148 HB3 LYS 148 22.388 -9.526 13.208 1175 HG2 LYS 148 HG2 LYS 148 22.213 -10.131 16.102 1176 HG3 LYS 148 HG3 LYS 148 23.094 -11.254 15.069 1177 HD2 LYS 148 HD2 LYS 148 24.593 -9.534 14.358 1178 HD3 LYS 148 HD3 LYS 148 23.618 -8.286 15.133 1179 HE2 LYS 148 HE2 LYS 148 25.040 -10.517 16.577 1180 HE3 LYS 148 HE3 LYS 148 25.647 -8.870 16.418 1181 HZ1 LYS 148 HZ1 LYS 148 23.057 -9.571 17.693 1182 HZ2 LYS 148 HZ2 LYS 148 23.809 -8.049 17.674 1183 HZ3 LYS 148 HZ3 LYS 148 24.498 -9.326 18.547 1184 H6 2W7 201 H6 2W7 201 17.577 19.874 12.437 1185 H7 2W7 201 H7 2W7 201 16.465 21.423 10.855 1186 H8 2W7 201 H8 2W7 201 17.824 22.855 9.354 1187 H9 2W7 201 H9 2W7 201 20.298 22.736 9.429 1188 H3 2W7 201 H3 2W7 201 21.795 21.665 12.981 1189 H122 2W7 201 H122 2W7 201 24.259 22.048 11.735 1190 H121 2W7 201 H121 2W7 201 24.014 21.487 13.401 1191 H4 2W7 201 H4 2W7 201 22.541 19.141 11.158 1192 HZ12 2W7 201 HZ12 2W7 201 25.803 20.137 9.896 1193 HZ11 2W7 201 HZ11 2W7 201 24.413 20.714 8.958 1194 HY1 2W7 201 HY1 2W7 201 26.289 20.099 7.485 1195 HX22 2W7 201 HX22 2W7 201 27.010 17.756 7.346 1196 HX21 2W7 201 HX21 2W7 201 27.306 18.424 8.970 1197 HY3 2W7 201 HY3 2W7 201 26.282 16.160 9.110 1198 HZ21 2W7 201 HZ21 2W7 201 25.800 17.846 10.851 1199 HZ22 2W7 201 HZ22 2W7 201 24.416 16.769 10.594 1200 HX31 2W7 201 HX31 2W7 201 25.066 16.256 6.967 1201 HX32 2W7 201 HX32 2W7 201 23.976 15.836 8.298 1202 HY2 2W7 201 HY2 2W7 201 22.948 17.536 6.840 1203 HZ32 2W7 201 HZ32 2W7 201 22.456 17.564 9.262 1204 HZ31 2W7 201 HZ31 2W7 201 22.447 19.202 8.580 1205 HX12 2W7 201 HX12 2W7 201 25.043 18.535 6.024 1206 HX11 2W7 201 HX11 2W7 201 23.969 19.778 6.697 Start of MODEL 13 1 HA MET 1 HA MET 1 2.436 1.758 -4.330 2 HB2 MET 1 HB2 MET 1 0.503 1.601 -2.787 3 HB3 MET 1 HB3 MET 1 0.506 3.092 -3.716 4 HG2 MET 1 HG2 MET 1 -1.176 2.142 -5.227 5 HG3 MET 1 HG3 MET 1 -1.189 0.666 -4.264 6 HE1 MET 1 HE1 MET 1 -2.006 4.514 -4.307 7 HE2 MET 1 HE2 MET 1 -0.880 4.364 -2.958 8 HE3 MET 1 HE3 MET 1 -2.570 4.768 -2.654 9 H GLN 2 H GLN 2 1.151 -0.124 -2.717 10 HA GLN 2 HA GLN 2 1.013 -2.361 -2.332 11 HB2 GLN 2 HB2 GLN 2 -0.740 -2.108 -4.206 12 HB3 GLN 2 HB3 GLN 2 0.495 -2.783 -5.265 13 HG2 GLN 2 HG2 GLN 2 -1.058 -4.490 -4.496 14 HG3 GLN 2 HG3 GLN 2 0.580 -4.800 -3.921 15 HE21 GLN 2 HE21 GLN 2 -0.079 -6.060 -2.224 16 HE22 GLN 2 HE22 GLN 2 -0.888 -5.419 -0.827 17 H ALA 3 H ALA 3 3.490 -1.057 -3.229 18 HA ALA 3 HA ALA 3 5.004 -3.460 -3.856 19 HB1 ALA 3 HB1 ALA 3 5.309 -0.915 -5.452 20 HB2 ALA 3 HB2 ALA 3 4.481 -2.367 -6.019 21 HB3 ALA 3 HB3 ALA 3 6.213 -2.416 -5.673 22 H LYS 4 H LYS 4 7.315 -3.177 -3.382 23 HA LYS 4 HA LYS 4 7.676 -1.772 -0.962 24 HB2 LYS 4 HB2 LYS 4 9.957 -2.518 -1.011 25 HB3 LYS 4 HB3 LYS 4 8.937 -3.825 -1.587 26 HG2 LYS 4 HG2 LYS 4 9.611 -3.469 -3.841 27 HG3 LYS 4 HG3 LYS 4 10.427 -1.962 -3.420 28 HD2 LYS 4 HD2 LYS 4 11.202 -4.738 -2.522 29 HD3 LYS 4 HD3 LYS 4 12.059 -3.738 -3.698 30 HE2 LYS 4 HE2 LYS 4 12.486 -2.068 -1.948 31 HE3 LYS 4 HE3 LYS 4 11.650 -3.088 -0.778 32 HZ1 LYS 4 HZ1 LYS 4 13.933 -3.488 -0.501 33 HZ2 LYS 4 HZ2 LYS 4 14.208 -3.629 -2.165 34 HZ3 LYS 4 HZ3 LYS 4 13.344 -4.837 -1.343 35 HA PRO 5 HA PRO 5 8.594 2.185 -2.585 36 HB2 PRO 5 HB2 PRO 5 9.325 3.401 -0.299 37 HB3 PRO 5 HB3 PRO 5 7.655 2.936 -0.632 38 HG2 PRO 5 HG2 PRO 5 9.681 1.615 1.108 39 HG3 PRO 5 HG3 PRO 5 7.934 1.789 1.349 40 HD2 PRO 5 HD2 PRO 5 9.195 -0.496 0.413 41 HD3 PRO 5 HD3 PRO 5 7.480 -0.110 0.183 42 H GLN 6 H GLN 6 10.319 2.487 -3.837 43 HA GLN 6 HA GLN 6 12.943 2.693 -2.520 44 HB2 GLN 6 HB2 GLN 6 12.671 1.348 -4.706 45 HB3 GLN 6 HB3 GLN 6 12.421 2.903 -5.489 46 HG2 GLN 6 HG2 GLN 6 14.699 2.304 -5.783 47 HG3 GLN 6 HG3 GLN 6 14.639 3.624 -4.616 48 HE21 GLN 6 HE21 GLN 6 16.642 3.092 -3.743 49 HE22 GLN 6 HE22 GLN 6 16.872 1.694 -2.733 50 H ILE 7 H ILE 7 13.792 4.717 -2.236 51 HA ILE 7 HA ILE 7 11.998 6.774 -1.867 52 HB ILE 7 HB ILE 7 14.991 7.036 -2.184 53 HG12 ILE 7 HG12 ILE 7 13.292 6.650 0.292 54 HG13 ILE 7 HG13 ILE 7 14.253 5.390 -0.478 55 HG21 ILE 7 HG21 ILE 7 14.046 9.218 -2.324 56 HG22 ILE 7 HG22 ILE 7 14.647 9.028 -0.673 57 HG23 ILE 7 HG23 ILE 7 12.923 8.883 -1.007 58 HD11 ILE 7 HD11 ILE 7 15.311 7.910 0.775 59 HD12 ILE 7 HD12 ILE 7 16.281 6.660 -0.005 60 HD13 ILE 7 HD13 ILE 7 15.379 6.288 1.463 61 HA PRO 8 HA PRO 8 11.858 8.489 -6.029 62 HB2 PRO 8 HB2 PRO 8 9.219 9.331 -5.637 63 HB3 PRO 8 HB3 PRO 8 9.731 7.831 -6.407 64 HG2 PRO 8 HG2 PRO 8 8.354 8.107 -3.950 65 HG3 PRO 8 HG3 PRO 8 9.031 6.623 -4.638 66 HD2 PRO 8 HD2 PRO 8 10.129 8.412 -2.543 67 HD3 PRO 8 HD3 PRO 8 10.371 6.670 -2.789 68 H LYS 9 H LYS 9 10.472 10.686 -6.605 69 HA LYS 9 HA LYS 9 12.169 12.721 -5.632 70 HB2 LYS 9 HB2 LYS 9 10.915 14.176 -7.138 71 HB3 LYS 9 HB3 LYS 9 11.287 12.648 -7.925 72 HG2 LYS 9 HG2 LYS 9 8.995 11.872 -7.350 73 HG3 LYS 9 HG3 LYS 9 8.650 13.490 -6.746 74 HD2 LYS 9 HD2 LYS 9 9.244 14.355 -9.027 75 HD3 LYS 9 HD3 LYS 9 9.299 12.675 -9.570 76 HE2 LYS 9 HE2 LYS 9 6.938 14.200 -8.493 77 HE3 LYS 9 HE3 LYS 9 7.131 13.492 -10.095 78 HZ1 LYS 9 HZ1 LYS 9 5.690 12.127 -8.762 79 HZ2 LYS 9 HZ2 LYS 9 6.848 12.013 -7.532 80 HZ3 LYS 9 HZ3 LYS 9 7.139 11.285 -9.038 81 H ASP 10 H ASP 10 8.785 11.959 -4.981 82 HA ASP 10 HA ASP 10 7.974 14.423 -3.958 83 HB2 ASP 10 HB2 ASP 10 6.904 11.682 -3.255 84 HB3 ASP 10 HB3 ASP 10 6.062 13.211 -3.024 85 H LYS 11 H LYS 11 7.645 15.176 -1.833 86 HA LYS 11 HA LYS 11 9.569 14.100 0.085 87 HB2 LYS 11 HB2 LYS 11 7.927 16.626 0.285 88 HB3 LYS 11 HB3 LYS 11 9.274 16.166 1.303 89 HG2 LYS 11 HG2 LYS 11 10.780 16.332 -0.621 90 HG3 LYS 11 HG3 LYS 11 9.417 16.844 -1.622 91 HD2 LYS 11 HD2 LYS 11 9.071 18.771 -0.140 92 HD3 LYS 11 HD3 LYS 11 10.456 18.266 0.830 93 HE2 LYS 11 HE2 LYS 11 11.888 18.507 -1.173 94 HE3 LYS 11 HE3 LYS 11 10.492 19.116 -2.063 95 HZ1 LYS 11 HZ1 LYS 11 11.854 20.925 -1.230 96 HZ2 LYS 11 HZ2 LYS 11 11.684 20.357 0.354 97 HZ3 LYS 11 HZ3 LYS 11 10.331 20.942 -0.477 98 H SER 12 H SER 12 6.126 14.783 -0.266 99 HA SER 12 HA SER 12 5.482 14.197 2.457 100 HB2 SER 12 HB2 SER 12 4.120 15.721 1.072 101 HB3 SER 12 HB3 SER 12 3.662 14.367 0.041 102 HG SER 12 HG SER 12 3.043 13.498 2.346 103 H LYS 13 H LYS 13 6.362 12.231 -0.045 104 HA LYS 13 HA LYS 13 4.635 10.011 0.562 105 HB2 LYS 13 HB2 LYS 13 5.876 8.804 -1.115 106 HB3 LYS 13 HB3 LYS 13 5.459 10.395 -1.729 107 HG2 LYS 13 HG2 LYS 13 7.629 10.190 -2.419 108 HG3 LYS 13 HG3 LYS 13 7.842 11.029 -0.878 109 HD2 LYS 13 HD2 LYS 13 7.864 8.538 0.007 110 HD3 LYS 13 HD3 LYS 13 8.473 8.235 -1.626 111 HE2 LYS 13 HE2 LYS 13 9.656 10.036 0.482 112 HE3 LYS 13 HE3 LYS 13 10.362 8.573 -0.195 113 HZ1 LYS 13 HZ1 LYS 13 11.359 10.620 -1.069 114 HZ2 LYS 13 HZ2 LYS 13 9.864 11.079 -1.712 115 HZ3 LYS 13 HZ3 LYS 13 10.644 9.698 -2.296 116 H VAL 14 H VAL 14 4.985 8.443 1.986 117 HA VAL 14 HA VAL 14 7.448 8.567 3.523 118 HB VAL 14 HB VAL 14 5.483 8.639 4.871 119 HG11 VAL 14 HG11 VAL 14 4.614 6.096 3.527 120 HG12 VAL 14 HG12 VAL 14 3.870 7.687 3.355 121 HG13 VAL 14 HG13 VAL 14 3.815 6.851 4.906 122 HG21 VAL 14 HG21 VAL 14 7.335 7.355 5.779 123 HG22 VAL 14 HG22 VAL 14 6.701 5.890 5.029 124 HG23 VAL 14 HG23 VAL 14 5.792 6.690 6.312 125 H ALA 15 H ALA 15 8.991 7.132 3.317 126 HA ALA 15 HA ALA 15 8.472 4.731 1.700 127 HB1 ALA 15 HB1 ALA 15 10.860 4.717 1.214 128 HB2 ALA 15 HB2 ALA 15 11.095 6.108 2.275 129 HB3 ALA 15 HB3 ALA 15 10.148 6.275 0.794 130 H GLY 16 H GLY 16 9.406 5.866 4.803 131 HA2 GLY 16 HA2 GLY 16 9.662 3.101 5.713 132 HA3 GLY 16 HA3 GLY 16 10.986 4.211 6.055 133 H TYR 17 H TYR 17 9.113 2.770 7.831 134 HA TYR 17 HA TYR 17 7.959 5.089 9.222 135 HB2 TYR 17 HB2 TYR 17 6.978 2.452 8.689 136 HB3 TYR 17 HB3 TYR 17 7.136 2.648 10.431 137 HD1 TYR 17 HD1 TYR 17 5.827 4.346 11.609 138 HD2 TYR 17 HD2 TYR 17 5.376 3.724 7.427 139 HE1 TYR 17 HE1 TYR 17 3.716 5.604 11.658 140 HE2 TYR 17 HE2 TYR 17 3.265 4.982 7.459 141 HH TYR 17 HH TYR 17 1.512 5.588 9.071 142 H ILE 18 H ILE 18 9.029 5.789 10.951 143 HA ILE 18 HA ILE 18 11.136 4.090 12.039 144 HB ILE 18 HB ILE 18 11.802 6.351 11.455 145 HG12 ILE 18 HG12 ILE 18 12.773 7.043 13.644 146 HG13 ILE 18 HG13 ILE 18 11.741 5.858 14.436 147 HG21 ILE 18 HG21 ILE 18 9.724 7.534 11.714 148 HG22 ILE 18 HG22 ILE 18 10.954 8.296 12.723 149 HG23 ILE 18 HG23 ILE 18 9.737 7.247 13.453 150 HD11 ILE 18 HD11 ILE 18 12.849 4.074 13.173 151 HD12 ILE 18 HD12 ILE 18 13.979 4.996 14.162 152 HD13 ILE 18 HD13 ILE 18 13.903 5.274 12.424 153 H GLU 19 H GLU 19 10.763 2.911 13.739 154 HA GLU 19 HA GLU 19 8.640 3.749 15.583 155 HB2 GLU 19 HB2 GLU 19 9.083 0.880 14.781 156 HB3 GLU 19 HB3 GLU 19 7.712 1.569 15.646 157 HG2 GLU 19 HG2 GLU 19 7.334 2.947 13.503 158 HG3 GLU 19 HG3 GLU 19 8.398 1.769 12.741 159 H ILE 20 H ILE 20 9.591 4.209 17.384 160 HA ILE 20 HA ILE 20 11.523 2.289 18.512 161 HB ILE 20 HB ILE 20 11.424 5.270 19.042 162 HG12 ILE 20 HG12 ILE 20 13.480 3.666 17.501 163 HG13 ILE 20 HG13 ILE 20 12.243 4.679 16.764 164 HG21 ILE 20 HG21 ILE 20 12.189 3.978 20.965 165 HG22 ILE 20 HG22 ILE 20 13.518 4.897 20.258 166 HG23 ILE 20 HG23 ILE 20 13.385 3.164 19.956 167 HD11 ILE 20 HD11 ILE 20 13.212 6.644 17.802 168 HD12 ILE 20 HD12 ILE 20 14.410 5.784 16.835 169 HD13 ILE 20 HD13 ILE 20 14.428 5.640 18.593 170 HA PRO 21 HA PRO 21 7.820 1.910 21.071 171 HB2 PRO 21 HB2 PRO 21 8.756 -0.243 22.482 172 HB3 PRO 21 HB3 PRO 21 7.991 -0.358 20.893 173 HG2 PRO 21 HG2 PRO 21 10.900 -0.343 21.598 174 HG3 PRO 21 HG3 PRO 21 10.035 -1.358 20.430 175 HD2 PRO 21 HD2 PRO 21 11.479 0.764 19.650 176 HD3 PRO 21 HD3 PRO 21 9.965 0.319 18.834 177 H ASP 22 H ASP 22 11.112 2.256 22.107 178 HA ASP 22 HA ASP 22 10.629 2.513 24.890 179 HB2 ASP 22 HB2 ASP 22 12.925 3.608 23.246 180 HB3 ASP 22 HB3 ASP 22 12.903 3.424 24.998 181 H ALA 23 H ALA 23 10.457 4.702 22.200 182 HA ALA 23 HA ALA 23 9.900 6.920 24.057 183 HB1 ALA 23 HB1 ALA 23 11.941 7.323 22.799 184 HB2 ALA 23 HB2 ALA 23 10.672 8.456 22.320 185 HB3 ALA 23 HB3 ALA 23 11.068 7.082 21.283 186 H ASP 24 H ASP 24 8.268 4.777 22.483 187 HA ASP 24 HA ASP 24 6.192 4.619 21.567 188 HB2 ASP 24 HB2 ASP 24 6.020 7.359 22.816 189 HB3 ASP 24 HB3 ASP 24 4.654 6.631 21.979 190 H ILE 25 H ILE 25 8.447 5.759 19.976 191 HA ILE 25 HA ILE 25 7.222 7.714 18.227 192 HB ILE 25 HB ILE 25 9.902 6.321 18.060 193 HG12 ILE 25 HG12 ILE 25 9.170 9.124 18.945 194 HG13 ILE 25 HG13 ILE 25 9.671 7.812 20.009 195 HG21 ILE 25 HG21 ILE 25 8.781 8.600 16.431 196 HG22 ILE 25 HG22 ILE 25 9.206 6.988 15.852 197 HG23 ILE 25 HG23 ILE 25 10.467 8.084 16.417 198 HD11 ILE 25 HD11 ILE 25 11.487 9.367 19.601 199 HD12 ILE 25 HD12 ILE 25 11.354 9.089 17.864 200 HD13 ILE 25 HD13 ILE 25 11.859 7.780 18.931 201 H LYS 26 H LYS 26 5.796 7.033 16.780 202 HA LYS 26 HA LYS 26 6.595 4.906 14.955 203 HB2 LYS 26 HB2 LYS 26 3.874 4.966 16.299 204 HB3 LYS 26 HB3 LYS 26 4.322 3.900 14.977 205 HG2 LYS 26 HG2 LYS 26 5.952 2.793 16.377 206 HG3 LYS 26 HG3 LYS 26 5.621 3.918 17.692 207 HD2 LYS 26 HD2 LYS 26 4.166 2.377 18.416 208 HD3 LYS 26 HD3 LYS 26 3.126 2.940 17.109 209 HE2 LYS 26 HE2 LYS 26 5.138 0.720 16.811 210 HE3 LYS 26 HE3 LYS 26 3.449 0.452 17.230 211 HZ1 LYS 26 HZ1 LYS 26 3.827 0.150 14.874 212 HZ2 LYS 26 HZ2 LYS 26 4.444 1.718 14.729 213 HZ3 LYS 26 HZ3 LYS 26 2.812 1.483 15.130 214 H GLU 27 H GLU 27 7.017 6.774 13.656 215 HA GLU 27 HA GLU 27 4.592 7.956 12.516 216 HB2 GLU 27 HB2 GLU 27 7.002 9.455 13.543 217 HB3 GLU 27 HB3 GLU 27 5.855 10.167 12.414 218 HG2 GLU 27 HG2 GLU 27 4.053 9.829 14.028 219 HG3 GLU 27 HG3 GLU 27 5.196 9.106 15.156 220 HA PRO 28 HA PRO 28 6.453 7.137 8.640 221 HB2 PRO 28 HB2 PRO 28 5.429 9.121 7.095 222 HB3 PRO 28 HB3 PRO 28 4.466 7.760 7.681 223 HG2 PRO 28 HG2 PRO 28 4.646 10.549 8.730 224 HG3 PRO 28 HG3 PRO 28 3.219 9.516 8.534 225 HD2 PRO 28 HD2 PRO 28 4.468 9.889 10.924 226 HD3 PRO 28 HD3 PRO 28 3.607 8.397 10.504 227 H VAL 29 H VAL 29 8.304 7.522 7.586 228 HA VAL 29 HA VAL 29 9.783 9.980 8.174 229 HB VAL 29 HB VAL 29 10.656 7.422 6.815 230 HG11 VAL 29 HG11 VAL 29 12.946 8.326 7.014 231 HG12 VAL 29 HG12 VAL 29 12.261 9.863 7.541 232 HG13 VAL 29 HG13 VAL 29 11.926 9.259 5.918 233 HG21 VAL 29 HG21 VAL 29 10.260 7.132 9.193 234 HG22 VAL 29 HG22 VAL 29 11.297 8.513 9.546 235 HG23 VAL 29 HG23 VAL 29 11.986 7.053 8.837 236 H TYR 30 H TYR 30 10.274 11.466 6.633 237 HA TYR 30 HA TYR 30 9.084 11.021 3.981 238 HB2 TYR 30 HB2 TYR 30 9.706 13.653 5.334 239 HB3 TYR 30 HB3 TYR 30 8.869 13.439 3.801 240 HD1 TYR 30 HD1 TYR 30 6.770 11.709 4.045 241 HD2 TYR 30 HD2 TYR 30 8.374 14.158 7.132 242 HE1 TYR 30 HE1 TYR 30 4.618 11.603 5.240 243 HE2 TYR 30 HE2 TYR 30 6.234 14.062 8.332 244 HH TYR 30 HH TYR 30 3.645 11.947 7.330 245 HA PRO 31 HA PRO 31 13.544 11.037 2.994 246 HB2 PRO 31 HB2 PRO 31 12.718 9.411 0.734 247 HB3 PRO 31 HB3 PRO 31 13.802 8.996 2.061 248 HG2 PRO 31 HG2 PRO 31 11.351 7.883 1.759 249 HG3 PRO 31 HG3 PRO 31 12.111 8.130 3.344 250 HD2 PRO 31 HD2 PRO 31 10.002 9.761 1.973 251 HD3 PRO 31 HD3 PRO 31 10.126 9.284 3.682 252 H GLY 32 H GLY 32 13.750 13.138 2.271 253 HA2 GLY 32 HA2 GLY 32 13.805 13.475 -0.553 254 HA3 GLY 32 HA3 GLY 32 12.462 14.362 0.158 255 HA PRO 33 HA PRO 33 16.432 16.929 0.360 256 HB2 PRO 33 HB2 PRO 33 15.278 19.116 -0.864 257 HB3 PRO 33 HB3 PRO 33 16.271 17.916 -1.694 258 HG2 PRO 33 HG2 PRO 33 13.300 18.170 -1.580 259 HG3 PRO 33 HG3 PRO 33 14.336 17.683 -2.933 260 HD2 PRO 33 HD2 PRO 33 12.931 15.900 -1.473 261 HD3 PRO 33 HD3 PRO 33 14.510 15.512 -2.185 262 H ALA 34 H ALA 34 16.235 17.177 2.532 263 HA ALA 34 HA ALA 34 13.963 18.016 3.912 264 HB1 ALA 34 HB1 ALA 34 15.817 16.774 4.925 265 HB2 ALA 34 HB2 ALA 34 15.401 18.221 5.844 266 HB3 ALA 34 HB3 ALA 34 16.830 18.213 4.810 267 H THR 35 H THR 35 13.053 19.884 4.152 268 HA THR 35 HA THR 35 14.661 22.337 4.001 269 HB THR 35 HB THR 35 12.701 23.469 2.991 270 HG1 THR 35 HG1 THR 35 11.620 20.848 2.652 271 HG21 THR 35 HG21 THR 35 13.725 21.051 1.501 272 HG22 THR 35 HG22 THR 35 14.423 22.671 1.501 273 HG23 THR 35 HG23 THR 35 12.850 22.389 0.752 274 HA PRO 36 HA PRO 36 13.182 23.573 7.953 275 HB2 PRO 36 HB2 PRO 36 11.938 25.956 6.659 276 HB3 PRO 36 HB3 PRO 36 13.031 25.872 8.046 277 HG2 PRO 36 HG2 PRO 36 13.933 26.650 5.674 278 HG3 PRO 36 HG3 PRO 36 14.913 25.595 6.709 279 HD2 PRO 36 HD2 PRO 36 13.338 24.927 4.265 280 HD3 PRO 36 HD3 PRO 36 14.886 24.264 4.829 281 H GLU 37 H GLU 37 10.813 23.987 5.346 282 HA GLU 37 HA GLU 37 8.540 24.128 7.006 283 HB2 GLU 37 HB2 GLU 37 8.985 23.633 4.099 284 HB3 GLU 37 HB3 GLU 37 7.388 23.365 4.784 285 HG2 GLU 37 HG2 GLU 37 8.950 25.931 4.904 286 HG3 GLU 37 HG3 GLU 37 7.587 25.592 3.836 287 H GLN 38 H GLN 38 10.095 21.363 5.397 288 HA GLN 38 HA GLN 38 7.992 19.607 6.332 289 HB2 GLN 38 HB2 GLN 38 9.173 17.824 5.207 290 HB3 GLN 38 HB3 GLN 38 9.051 19.211 4.142 291 HG2 GLN 38 HG2 GLN 38 11.412 19.784 4.966 292 HG3 GLN 38 HG3 GLN 38 11.450 18.115 5.536 293 HE21 GLN 38 HE21 GLN 38 11.365 16.425 4.001 294 HE22 GLN 38 HE22 GLN 38 11.734 16.706 2.340 295 H LEU 39 H LEU 39 11.060 20.721 7.407 296 HA LEU 39 HA LEU 39 11.304 18.671 9.453 297 HB2 LEU 39 HB2 LEU 39 12.881 21.199 8.948 298 HB3 LEU 39 HB3 LEU 39 13.250 20.032 10.202 299 HG LEU 39 HG LEU 39 13.325 19.499 7.230 300 HD11 LEU 39 HD11 LEU 39 15.537 19.813 9.253 301 HD12 LEU 39 HD12 LEU 39 15.144 20.935 7.949 302 HD13 LEU 39 HD13 LEU 39 15.747 19.320 7.572 303 HD21 LEU 39 HD21 LEU 39 14.310 17.350 7.854 304 HD22 LEU 39 HD22 LEU 39 12.676 17.517 8.497 305 HD23 LEU 39 HD23 LEU 39 14.067 17.732 9.559 306 H ASN 40 H ASN 40 9.186 20.941 9.079 307 HA ASN 40 HA ASN 40 9.154 21.832 11.887 308 HB2 ASN 40 HB2 ASN 40 9.138 23.490 9.877 309 HB3 ASN 40 HB3 ASN 40 7.477 22.969 9.652 310 HD21 ASN 40 HD21 ASN 40 8.524 25.590 10.273 311 HD22 ASN 40 HD22 ASN 40 7.793 26.066 11.773 312 H ARG 41 H ARG 41 7.845 19.719 9.649 313 HA ARG 41 HA ARG 41 5.283 19.486 11.087 314 HB2 ARG 41 HB2 ARG 41 5.807 18.974 8.157 315 HB3 ARG 41 HB3 ARG 41 4.259 18.846 8.975 316 HG2 ARG 41 HG2 ARG 41 4.274 21.226 9.442 317 HG3 ARG 41 HG3 ARG 41 5.868 21.372 8.700 318 HD2 ARG 41 HD2 ARG 41 4.775 20.420 6.598 319 HD3 ARG 41 HD3 ARG 41 3.237 20.764 7.391 320 HE ARG 41 HE ARG 41 5.265 22.788 6.695 321 HH11 ARG 41 HH11 ARG 41 1.935 21.894 7.331 322 HH12 ARG 41 HH12 ARG 41 1.310 23.462 6.926 323 HH21 ARG 41 HH21 ARG 41 4.454 24.834 6.152 324 HH22 ARG 41 HH22 ARG 41 2.736 25.132 6.257 325 H GLY 42 H GLY 42 8.083 17.923 9.947 326 HA2 GLY 42 HA2 GLY 42 7.534 15.608 11.486 327 HA3 GLY 42 HA3 GLY 42 7.350 15.260 9.773 328 H VAL 43 H VAL 43 9.105 13.918 9.568 329 HA VAL 43 HA VAL 43 11.730 15.128 10.098 330 HB VAL 43 HB VAL 43 10.900 12.262 10.589 331 HG11 VAL 43 HG11 VAL 43 13.170 11.893 11.387 332 HG12 VAL 43 HG12 VAL 43 13.606 13.543 10.942 333 HG13 VAL 43 HG13 VAL 43 13.170 12.376 9.692 334 HG21 VAL 43 HG21 VAL 43 11.777 14.443 12.479 335 HG22 VAL 43 HG22 VAL 43 11.453 12.767 12.926 336 HG23 VAL 43 HG23 VAL 43 10.148 13.786 12.321 337 H SER 44 H SER 44 13.301 14.798 8.600 338 HA SER 44 HA SER 44 12.671 13.186 6.230 339 HB2 SER 44 HB2 SER 44 12.076 15.533 5.725 340 HB3 SER 44 HB3 SER 44 13.687 16.048 6.215 341 HG SER 44 HG SER 44 14.548 15.110 4.437 342 H PHE 45 H PHE 45 14.670 12.682 4.975 343 HA PHE 45 HA PHE 45 16.902 12.170 6.685 344 HB2 PHE 45 HB2 PHE 45 16.603 11.926 3.685 345 HB3 PHE 45 HB3 PHE 45 18.031 11.414 4.575 346 HD1 PHE 45 HD1 PHE 45 16.985 10.070 6.887 347 HD2 PHE 45 HD2 PHE 45 15.540 10.072 2.892 348 HE1 PHE 45 HE1 PHE 45 15.964 7.864 7.264 349 HE2 PHE 45 HE2 PHE 45 14.509 7.868 3.252 350 HZ PHE 45 HZ PHE 45 14.722 6.761 5.451 351 H ALA 46 H ALA 46 19.099 12.939 6.281 352 HA ALA 46 HA ALA 46 19.246 15.762 6.012 353 HB1 ALA 46 HB1 ALA 46 20.829 14.506 7.390 354 HB2 ALA 46 HB2 ALA 46 21.670 15.453 6.166 355 HB3 ALA 46 HB3 ALA 46 21.464 13.716 5.949 356 H GLU 47 H GLU 47 19.656 13.084 3.851 357 HA GLU 47 HA GLU 47 20.251 14.910 1.622 358 HB2 GLU 47 HB2 GLU 47 20.345 11.887 1.634 359 HB3 GLU 47 HB3 GLU 47 20.963 12.962 0.389 360 HG2 GLU 47 HG2 GLU 47 22.709 13.731 1.852 361 HG3 GLU 47 HG3 GLU 47 22.047 12.784 3.188 362 H GLU 48 H GLU 48 19.084 14.263 -0.456 363 HA GLU 48 HA GLU 48 16.303 13.728 0.044 364 HB2 GLU 48 HB2 GLU 48 16.523 13.459 -2.652 365 HB3 GLU 48 HB3 GLU 48 16.287 14.993 -1.832 366 HG2 GLU 48 HG2 GLU 48 18.011 15.239 -3.461 367 HG3 GLU 48 HG3 GLU 48 18.731 15.341 -1.857 368 H ASN 49 H ASN 49 19.097 12.039 -1.196 369 HA ASN 49 HA ASN 49 19.717 9.867 -1.033 370 HB2 ASN 49 HB2 ASN 49 18.369 10.104 1.172 371 HB3 ASN 49 HB3 ASN 49 17.138 9.164 0.332 372 HD21 ASN 49 HD21 ASN 49 20.349 9.159 1.647 373 HD22 ASN 49 HD22 ASN 49 20.569 7.448 1.618 374 H GLU 50 H GLU 50 19.275 7.737 -1.961 375 HA GLU 50 HA GLU 50 16.896 7.615 -3.663 376 HB2 GLU 50 HB2 GLU 50 18.227 6.853 -5.584 377 HB3 GLU 50 HB3 GLU 50 18.690 8.478 -5.090 378 HG2 GLU 50 HG2 GLU 50 20.636 7.603 -3.945 379 HG3 GLU 50 HG3 GLU 50 20.160 5.956 -4.355 380 H SER 51 H SER 51 18.682 6.222 -1.370 381 HA SER 51 HA SER 51 17.765 3.536 -2.027 382 HB2 SER 51 HB2 SER 51 20.634 4.056 -1.264 383 HB3 SER 51 HB3 SER 51 19.918 2.510 -1.706 384 HG SER 51 HG SER 51 20.662 4.662 -3.325 385 H LEU 52 H LEU 52 16.431 3.452 -0.327 386 HA LEU 52 HA LEU 52 17.273 4.096 2.346 387 HB2 LEU 52 HB2 LEU 52 15.049 2.855 2.884 388 HB3 LEU 52 HB3 LEU 52 15.012 4.438 2.139 389 HG LEU 52 HG LEU 52 14.687 3.304 -0.080 390 HD11 LEU 52 HD11 LEU 52 15.549 1.100 0.457 391 HD12 LEU 52 HD12 LEU 52 13.868 0.993 -0.071 392 HD13 LEU 52 HD13 LEU 52 14.265 0.869 1.643 393 HD21 LEU 52 HD21 LEU 52 12.607 2.793 2.035 394 HD22 LEU 52 HD22 LEU 52 12.324 2.854 0.295 395 HD23 LEU 52 HD23 LEU 52 12.845 4.303 1.155 396 H ASP 53 H ASP 53 17.817 1.630 0.262 397 HA ASP 53 HA ASP 53 18.163 -0.427 2.292 398 HB2 ASP 53 HB2 ASP 53 18.747 -1.832 0.291 399 HB3 ASP 53 HB3 ASP 53 17.113 -1.186 0.274 400 H ASP 54 H ASP 54 19.806 2.159 1.565 401 HA ASP 54 HA ASP 54 22.454 1.011 1.222 402 HB2 ASP 54 HB2 ASP 54 21.809 3.217 0.189 403 HB3 ASP 54 HB3 ASP 54 21.711 3.889 1.813 404 H GLN 55 H GLN 55 24.155 1.366 2.836 405 HA GLN 55 HA GLN 55 23.061 0.721 5.435 406 HB2 GLN 55 HB2 GLN 55 25.170 -0.123 5.998 407 HB3 GLN 55 HB3 GLN 55 25.010 -0.489 4.287 408 HG2 GLN 55 HG2 GLN 55 26.540 1.830 5.435 409 HG3 GLN 55 HG3 GLN 55 27.241 0.312 4.883 410 HE21 GLN 55 HE21 GLN 55 27.482 3.141 4.050 411 HE22 GLN 55 HE22 GLN 55 27.215 3.138 2.338 412 H ASN 56 H ASN 56 24.330 3.511 3.875 413 HA ASN 56 HA ASN 56 24.880 4.785 6.473 414 HB2 ASN 56 HB2 ASN 56 26.726 4.900 4.850 415 HB3 ASN 56 HB3 ASN 56 25.665 5.696 3.693 416 HD21 ASN 56 HD21 ASN 56 25.185 7.849 3.942 417 HD22 ASN 56 HD22 ASN 56 26.002 8.868 5.077 418 H ILE 57 H ILE 57 22.869 5.306 7.142 419 HA ILE 57 HA ILE 57 21.312 7.114 5.415 420 HB ILE 57 HB ILE 57 20.420 5.064 7.427 421 HG12 ILE 57 HG12 ILE 57 20.723 4.283 5.138 422 HG13 ILE 57 HG13 ILE 57 19.018 4.275 5.569 423 HG21 ILE 57 HG21 ILE 57 18.091 5.913 7.039 424 HG22 ILE 57 HG22 ILE 57 18.818 7.371 6.358 425 HG23 ILE 57 HG23 ILE 57 19.120 6.933 8.044 426 HD11 ILE 57 HD11 ILE 57 19.333 5.078 3.308 427 HD12 ILE 57 HD12 ILE 57 20.412 6.347 3.888 428 HD13 ILE 57 HD13 ILE 57 18.706 6.365 4.337 429 H SER 58 H SER 58 20.989 9.139 6.149 430 HA SER 58 HA SER 58 21.348 9.620 9.032 431 HB2 SER 58 HB2 SER 58 23.226 10.535 7.670 432 HB3 SER 58 HB3 SER 58 22.066 11.532 6.791 433 HG SER 58 HG SER 58 22.130 11.661 9.593 434 H ILE 59 H ILE 59 19.546 10.274 9.975 435 HA ILE 59 HA ILE 59 17.431 11.463 8.307 436 HB ILE 59 HB ILE 59 16.864 10.387 11.040 437 HG12 ILE 59 HG12 ILE 59 17.148 8.646 8.571 438 HG13 ILE 59 HG13 ILE 59 18.237 8.624 9.955 439 HG21 ILE 59 HG21 ILE 59 14.718 9.861 10.034 440 HG22 ILE 59 HG22 ILE 59 15.331 10.312 8.442 441 HG23 ILE 59 HG23 ILE 59 15.147 11.541 9.697 442 HD11 ILE 59 HD11 ILE 59 15.319 7.882 9.985 443 HD12 ILE 59 HD12 ILE 59 16.400 7.870 11.377 444 HD13 ILE 59 HD13 ILE 59 16.683 6.766 10.032 445 H ALA 60 H ALA 60 16.776 13.499 8.746 446 HA ALA 60 HA ALA 60 18.125 14.846 10.972 447 HB1 ALA 60 HB1 ALA 60 16.758 16.075 8.586 448 HB2 ALA 60 HB2 ALA 60 18.486 15.745 8.710 449 HB3 ALA 60 HB3 ALA 60 17.730 16.909 9.798 450 H GLY 61 H GLY 61 17.000 15.150 12.750 451 HA2 GLY 61 HA2 GLY 61 14.061 15.332 12.528 452 HA3 GLY 61 HA3 GLY 61 14.912 14.672 13.918 453 H HIS 62 H HIS 62 14.061 17.589 12.197 454 HA HIS 62 HA HIS 62 15.211 19.260 14.272 455 HB2 HIS 62 HB2 HIS 62 15.390 19.994 11.935 456 HB3 HIS 62 HB3 HIS 62 13.635 20.015 11.799 457 HD1 HIS 62 HD1 HIS 62 16.280 21.666 13.998 458 HD2 HIS 62 HD2 HIS 62 12.613 22.479 12.209 459 HE1 HIS 62 HE1 HIS 62 15.777 24.068 14.548 460 H THR 63 H THR 63 14.132 19.989 15.971 461 HA THR 63 HA THR 63 11.242 20.335 15.830 462 HB THR 63 HB THR 63 12.573 18.680 17.994 463 HG1 THR 63 HG1 THR 63 11.627 17.988 15.605 464 HG21 THR 63 HG21 THR 63 9.681 19.470 17.603 465 HG22 THR 63 HG22 THR 63 10.749 20.013 18.899 466 HG23 THR 63 HG23 THR 63 10.267 18.318 18.805 467 H PHE 64 H PHE 64 10.626 22.149 16.897 468 HA PHE 64 HA PHE 64 12.286 23.198 19.047 469 HB2 PHE 64 HB2 PHE 64 12.446 25.427 18.053 470 HB3 PHE 64 HB3 PHE 64 13.197 24.235 17.000 471 HD1 PHE 64 HD1 PHE 64 11.731 23.334 15.058 472 HD2 PHE 64 HD2 PHE 64 10.900 26.913 17.202 473 HE1 PHE 64 HE1 PHE 64 10.355 24.132 13.184 474 HE2 PHE 64 HE2 PHE 64 9.516 27.717 15.333 475 HZ PHE 64 HZ PHE 64 9.246 26.326 13.319 476 H ILE 65 H ILE 65 9.533 22.074 18.480 477 HA ILE 65 HA ILE 65 7.786 24.329 19.030 478 HB ILE 65 HB ILE 65 7.176 22.533 17.390 479 HG12 ILE 65 HG12 ILE 65 4.818 22.380 18.112 480 HG13 ILE 65 HG13 ILE 65 5.285 22.936 19.717 481 HG21 ILE 65 HG21 ILE 65 6.278 20.420 18.262 482 HG22 ILE 65 HG22 ILE 65 6.826 20.871 19.877 483 HG23 ILE 65 HG23 ILE 65 8.003 20.600 18.591 484 HD11 ILE 65 HD11 ILE 65 4.335 24.747 18.436 485 HD12 ILE 65 HD12 ILE 65 5.515 24.492 17.152 486 HD13 ILE 65 HD13 ILE 65 6.045 25.053 18.739 487 H ASP 66 H ASP 66 9.551 22.047 20.733 488 HA ASP 66 HA ASP 66 9.677 21.358 22.890 489 HB2 ASP 66 HB2 ASP 66 9.932 23.863 23.105 490 HB3 ASP 66 HB3 ASP 66 8.226 23.935 23.528 491 H ARG 67 H ARG 67 7.427 20.383 21.445 492 HA ARG 67 HA ARG 67 5.480 20.040 23.621 493 HB2 ARG 67 HB2 ARG 67 5.266 19.365 20.682 494 HB3 ARG 67 HB3 ARG 67 4.050 18.951 21.881 495 HG2 ARG 67 HG2 ARG 67 3.770 21.365 22.360 496 HG3 ARG 67 HG3 ARG 67 4.897 21.715 21.046 497 HD2 ARG 67 HD2 ARG 67 3.399 20.465 19.510 498 HD3 ARG 67 HD3 ARG 67 2.250 20.290 20.833 499 HE ARG 67 HE ARG 67 2.817 23.012 20.549 500 HH11 ARG 67 HH11 ARG 67 1.283 20.419 18.766 501 HH12 ARG 67 HH12 ARG 67 0.230 21.478 17.877 502 HH21 ARG 67 HH21 ARG 67 1.433 24.408 19.399 503 HH22 ARG 67 HH22 ARG 67 0.293 23.747 18.260 504 HA PRO 68 HA PRO 68 7.748 16.303 24.367 505 HB2 PRO 68 HB2 PRO 68 6.217 15.371 26.405 506 HB3 PRO 68 HB3 PRO 68 7.365 16.703 26.591 507 HG2 PRO 68 HG2 PRO 68 4.399 16.797 26.201 508 HG3 PRO 68 HG3 PRO 68 5.414 17.741 27.307 509 HD2 PRO 68 HD2 PRO 68 4.503 18.732 24.957 510 HD3 PRO 68 HD3 PRO 68 6.062 19.213 25.656 511 H ASN 69 H ASN 69 4.753 16.479 22.931 512 HA ASN 69 HA ASN 69 4.648 13.552 22.651 513 HB2 ASN 69 HB2 ASN 69 2.510 15.568 22.934 514 HB3 ASN 69 HB3 ASN 69 2.223 14.318 21.726 515 HD21 ASN 69 HD21 ASN 69 4.179 13.682 24.533 516 HD22 ASN 69 HD22 ASN 69 3.044 12.640 25.329 517 H TYR 70 H TYR 70 6.212 15.656 21.181 518 HA TYR 70 HA TYR 70 5.227 15.228 18.476 519 HB2 TYR 70 HB2 TYR 70 6.602 17.304 19.521 520 HB3 TYR 70 HB3 TYR 70 7.948 16.337 18.924 521 HD1 TYR 70 HD1 TYR 70 4.956 18.238 17.971 522 HD2 TYR 70 HD2 TYR 70 8.322 16.063 16.543 523 HE1 TYR 70 HE1 TYR 70 4.560 19.124 15.713 524 HE2 TYR 70 HE2 TYR 70 7.938 16.947 14.279 525 HH TYR 70 HH TYR 70 6.016 19.543 13.603 526 H GLN 71 H GLN 71 7.328 14.579 16.964 527 HA GLN 71 HA GLN 71 7.473 11.817 17.407 528 HB2 GLN 71 HB2 GLN 71 7.573 12.890 15.180 529 HB3 GLN 71 HB3 GLN 71 9.195 13.459 15.551 530 HG2 GLN 71 HG2 GLN 71 10.042 11.242 15.629 531 HG3 GLN 71 HG3 GLN 71 8.422 10.555 15.546 532 HE21 GLN 71 HE21 GLN 71 7.517 12.435 13.496 533 HE22 GLN 71 HE22 GLN 71 8.282 11.932 12.029 534 H PHE 72 H PHE 72 10.353 13.944 17.177 535 HA PHE 72 HA PHE 72 11.803 11.899 18.654 536 HB2 PHE 72 HB2 PHE 72 12.691 14.268 17.033 537 HB3 PHE 72 HB3 PHE 72 13.812 13.369 18.048 538 HD1 PHE 72 HD1 PHE 72 12.814 10.607 17.641 539 HD2 PHE 72 HD2 PHE 72 13.406 13.791 14.879 540 HE1 PHE 72 HE1 PHE 72 13.136 8.971 15.831 541 HE2 PHE 72 HE2 PHE 72 13.731 12.161 13.066 542 HZ PHE 72 HZ PHE 72 13.598 9.751 13.541 543 H THR 73 H THR 73 9.950 14.130 19.827 544 HA THR 73 HA THR 73 11.788 15.497 21.582 545 HB THR 73 HB THR 73 8.791 15.324 21.918 546 HG1 THR 73 HG1 THR 73 10.370 17.082 20.314 547 HG21 THR 73 HG21 THR 73 10.807 17.435 22.710 548 HG22 THR 73 HG22 THR 73 10.078 16.258 23.803 549 HG23 THR 73 HG23 THR 73 9.072 17.482 23.025 550 H ASN 74 H ASN 74 9.712 12.676 21.682 551 HA ASN 74 HA ASN 74 10.126 12.252 24.519 552 HB2 ASN 74 HB2 ASN 74 8.023 11.593 23.178 553 HB3 ASN 74 HB3 ASN 74 8.973 10.236 22.601 554 HD21 ASN 74 HD21 ASN 74 7.691 8.719 23.587 555 HD22 ASN 74 HD22 ASN 74 7.661 8.486 25.301 556 H LEU 75 H LEU 75 12.103 11.996 22.008 557 HA LEU 75 HA LEU 75 13.142 9.376 22.119 558 HB2 LEU 75 HB2 LEU 75 13.462 11.083 20.293 559 HB3 LEU 75 HB3 LEU 75 14.637 11.869 21.331 560 HG LEU 75 HG LEU 75 16.074 9.918 21.260 561 HD11 LEU 75 HD11 LEU 75 14.340 8.192 21.164 562 HD12 LEU 75 HD12 LEU 75 15.534 7.980 19.884 563 HD13 LEU 75 HD13 LEU 75 13.955 8.671 19.509 564 HD21 LEU 75 HD21 LEU 75 16.624 9.935 18.869 565 HD22 LEU 75 HD22 LEU 75 16.319 11.556 19.492 566 HD23 LEU 75 HD23 LEU 75 15.088 10.735 18.534 567 H LYS 76 H LYS 76 13.273 11.871 24.345 568 HA LYS 76 HA LYS 76 15.756 11.483 25.607 569 HB2 LYS 76 HB2 LYS 76 14.630 12.444 27.599 570 HB3 LYS 76 HB3 LYS 76 14.326 13.382 26.140 571 HG2 LYS 76 HG2 LYS 76 12.130 12.403 25.920 572 HG3 LYS 76 HG3 LYS 76 12.434 11.345 27.296 573 HD2 LYS 76 HD2 LYS 76 12.563 13.265 28.772 574 HD3 LYS 76 HD3 LYS 76 12.343 14.357 27.401 575 HE2 LYS 76 HE2 LYS 76 10.145 13.393 26.973 576 HE3 LYS 76 HE3 LYS 76 10.363 12.273 28.314 577 HZ1 LYS 76 HZ1 LYS 76 8.987 14.271 28.799 578 HZ2 LYS 76 HZ2 LYS 76 10.387 15.220 28.645 579 HZ3 LYS 76 HZ3 LYS 76 10.289 14.040 29.856 580 H ALA 77 H ALA 77 12.893 9.570 25.477 581 HA ALA 77 HA ALA 77 13.475 8.070 27.892 582 HB1 ALA 77 HB1 ALA 77 11.323 7.651 25.817 583 HB2 ALA 77 HB2 ALA 77 11.156 8.604 27.292 584 HB3 ALA 77 HB3 ALA 77 11.424 6.863 27.393 585 H ALA 78 H ALA 78 14.928 8.070 25.039 586 HA ALA 78 HA ALA 78 14.990 5.174 24.665 587 HB1 ALA 78 HB1 ALA 78 16.220 5.618 22.623 588 HB2 ALA 78 HB2 ALA 78 16.317 7.332 23.030 589 HB3 ALA 78 HB3 ALA 78 14.754 6.599 22.672 590 H LYS 79 H LYS 79 16.820 3.957 24.843 591 HA LYS 79 HA LYS 79 18.962 5.144 26.478 592 HB2 LYS 79 HB2 LYS 79 18.122 2.240 26.283 593 HB3 LYS 79 HB3 LYS 79 19.352 2.891 27.350 594 HG2 LYS 79 HG2 LYS 79 17.492 2.562 28.719 595 HG3 LYS 79 HG3 LYS 79 17.500 4.291 28.386 596 HD2 LYS 79 HD2 LYS 79 15.242 3.351 28.249 597 HD3 LYS 79 HD3 LYS 79 15.772 3.998 26.695 598 HE2 LYS 79 HE2 LYS 79 14.663 1.896 26.328 599 HE3 LYS 79 HE3 LYS 79 16.382 1.699 26.003 600 HZ1 LYS 79 HZ1 LYS 79 15.054 0.931 28.545 601 HZ2 LYS 79 HZ2 LYS 79 16.670 0.634 28.115 602 HZ3 LYS 79 HZ3 LYS 79 15.416 -0.143 27.283 603 H LYS 80 H LYS 80 21.033 3.658 26.246 604 HA LYS 80 HA LYS 80 21.903 3.929 23.547 605 HB2 LYS 80 HB2 LYS 80 24.049 3.140 24.310 606 HB3 LYS 80 HB3 LYS 80 23.407 4.262 25.501 607 HG2 LYS 80 HG2 LYS 80 22.567 1.640 26.203 608 HG3 LYS 80 HG3 LYS 80 24.300 1.608 25.878 609 HD2 LYS 80 HD2 LYS 80 24.604 3.499 27.417 610 HD3 LYS 80 HD3 LYS 80 22.874 3.481 27.761 611 HE2 LYS 80 HE2 LYS 80 23.059 1.226 28.656 612 HE3 LYS 80 HE3 LYS 80 24.779 1.200 28.269 613 HZ1 LYS 80 HZ1 LYS 80 25.163 2.954 29.842 614 HZ2 LYS 80 HZ2 LYS 80 24.328 1.698 30.616 615 HZ3 LYS 80 HZ3 LYS 80 23.500 3.105 30.156 616 H GLY 81 H GLY 81 20.342 1.510 25.250 617 HA2 GLY 81 HA2 GLY 81 20.834 -0.363 23.035 618 HA3 GLY 81 HA3 GLY 81 20.799 -0.931 24.694 619 H SER 82 H SER 82 18.803 1.216 22.704 620 HA SER 82 HA SER 82 16.380 0.058 23.749 621 HB2 SER 82 HB2 SER 82 16.711 2.126 21.557 622 HB3 SER 82 HB3 SER 82 15.264 1.804 22.512 623 HG SER 82 HG SER 82 17.564 3.223 23.174 624 H MET 83 H MET 83 14.816 0.226 21.431 625 HA MET 83 HA MET 83 16.116 -1.607 19.539 626 HB2 MET 83 HB2 MET 83 14.544 -2.761 21.280 627 HB3 MET 83 HB3 MET 83 13.253 -2.082 20.292 628 HG2 MET 83 HG2 MET 83 13.756 -4.346 19.599 629 HG3 MET 83 HG3 MET 83 14.166 -3.196 18.325 630 HE1 MET 83 HE1 MET 83 17.276 -4.943 17.338 631 HE2 MET 83 HE2 MET 83 16.172 -3.615 16.970 632 HE3 MET 83 HE3 MET 83 15.541 -5.245 17.211 633 H VAL 84 H VAL 84 16.226 -0.385 17.806 634 HA VAL 84 HA VAL 84 14.002 1.411 17.185 635 HB VAL 84 HB VAL 84 16.804 1.293 16.059 636 HG11 VAL 84 HG11 VAL 84 14.586 3.255 15.478 637 HG12 VAL 84 HG12 VAL 84 15.267 2.080 14.352 638 HG13 VAL 84 HG13 VAL 84 16.260 3.412 14.942 639 HG21 VAL 84 HG21 VAL 84 16.734 2.099 18.335 640 HG22 VAL 84 HG22 VAL 84 15.462 3.249 17.917 641 HG23 VAL 84 HG23 VAL 84 17.081 3.435 17.238 642 H TYR 85 H TYR 85 12.601 0.931 15.674 643 HA TYR 85 HA TYR 85 13.284 -1.192 13.760 644 HB2 TYR 85 HB2 TYR 85 10.576 -0.211 14.688 645 HB3 TYR 85 HB3 TYR 85 10.839 -1.467 13.481 646 HD1 TYR 85 HD1 TYR 85 12.468 -3.401 14.322 647 HD2 TYR 85 HD2 TYR 85 10.123 -0.896 16.833 648 HE1 TYR 85 HE1 TYR 85 12.537 -5.116 16.094 649 HE2 TYR 85 HE2 TYR 85 10.190 -2.591 18.610 650 HH TYR 85 HH TYR 85 10.532 -4.993 18.853 651 H PHE 86 H PHE 86 13.650 -0.604 11.767 652 HA PHE 86 HA PHE 86 12.385 1.874 10.783 653 HB2 PHE 86 HB2 PHE 86 14.894 1.829 10.700 654 HB3 PHE 86 HB3 PHE 86 14.789 0.462 9.593 655 HD1 PHE 86 HD1 PHE 86 13.166 3.806 9.915 656 HD2 PHE 86 HD2 PHE 86 15.143 1.007 7.396 657 HE1 PHE 86 HE1 PHE 86 12.952 5.366 8.025 658 HE2 PHE 86 HE2 PHE 86 14.932 2.562 5.499 659 HZ PHE 86 HZ PHE 86 13.833 4.747 5.814 660 H LYS 87 H LYS 87 10.555 1.337 9.833 661 HA LYS 87 HA LYS 87 10.378 -1.268 8.509 662 HB2 LYS 87 HB2 LYS 87 8.801 -0.546 10.335 663 HB3 LYS 87 HB3 LYS 87 8.105 0.565 9.178 664 HG2 LYS 87 HG2 LYS 87 7.412 -1.242 7.771 665 HG3 LYS 87 HG3 LYS 87 8.271 -2.412 8.779 666 HD2 LYS 87 HD2 LYS 87 5.943 -2.515 9.342 667 HD3 LYS 87 HD3 LYS 87 6.800 -1.751 10.683 668 HE2 LYS 87 HE2 LYS 87 4.882 -0.442 10.387 669 HE3 LYS 87 HE3 LYS 87 6.162 0.473 9.586 670 HZ1 LYS 87 HZ1 LYS 87 4.196 0.419 8.215 671 HZ2 LYS 87 HZ2 LYS 87 4.146 -1.274 8.268 672 HZ3 LYS 87 HZ3 LYS 87 5.414 -0.491 7.461 673 H VAL 88 H VAL 88 10.878 -1.163 6.515 674 HA VAL 88 HA VAL 88 10.093 1.138 4.887 675 HB VAL 88 HB VAL 88 12.370 0.606 4.523 676 HG11 VAL 88 HG11 VAL 88 12.382 -1.662 5.435 677 HG12 VAL 88 HG12 VAL 88 13.198 -1.589 3.874 678 HG13 VAL 88 HG13 VAL 88 11.567 -2.247 3.985 679 HG21 VAL 88 HG21 VAL 88 12.433 -0.029 2.140 680 HG22 VAL 88 HG22 VAL 88 11.191 1.172 2.497 681 HG23 VAL 88 HG23 VAL 88 10.741 -0.515 2.251 682 H GLY 89 H GLY 89 8.132 1.019 4.110 683 HA2 GLY 89 HA2 GLY 89 6.126 0.143 3.391 684 HA3 GLY 89 HA3 GLY 89 7.050 -1.204 2.732 685 H ASN 90 H ASN 90 6.987 -3.136 3.746 686 HA ASN 90 HA ASN 90 5.675 -3.218 6.388 687 HB2 ASN 90 HB2 ASN 90 4.430 -4.329 4.533 688 HB3 ASN 90 HB3 ASN 90 5.796 -5.415 4.308 689 HD21 ASN 90 HD21 ASN 90 4.572 -4.268 7.398 690 HD22 ASN 90 HD22 ASN 90 4.037 -5.810 7.968 691 H GLU 91 H GLU 91 8.622 -3.557 4.859 692 HA GLU 91 HA GLU 91 9.578 -5.869 6.316 693 HB2 GLU 91 HB2 GLU 91 11.171 -3.855 4.725 694 HB3 GLU 91 HB3 GLU 91 11.711 -5.442 5.246 695 HG2 GLU 91 HG2 GLU 91 10.045 -6.486 3.798 696 HG3 GLU 91 HG3 GLU 91 9.504 -4.891 3.275 697 H THR 92 H THR 92 10.681 -5.863 8.193 698 HA THR 92 HA THR 92 11.002 -3.232 9.484 699 HB THR 92 HB THR 92 10.810 -5.890 10.902 700 HG1 THR 92 HG1 THR 92 8.895 -4.677 9.505 701 HG21 THR 92 HG21 THR 92 10.112 -4.491 12.792 702 HG22 THR 92 HG22 THR 92 10.286 -3.049 11.790 703 HG23 THR 92 HG23 THR 92 11.704 -4.014 12.200 704 H ARG 93 H ARG 93 13.050 -2.554 9.596 705 HA ARG 93 HA ARG 93 15.192 -4.541 9.858 706 HB2 ARG 93 HB2 ARG 93 15.360 -1.571 9.296 707 HB3 ARG 93 HB3 ARG 93 16.728 -2.670 9.374 708 HG2 ARG 93 HG2 ARG 93 14.503 -2.694 7.349 709 HG3 ARG 93 HG3 ARG 93 16.185 -2.237 7.080 710 HD2 ARG 93 HD2 ARG 93 15.159 -4.974 7.824 711 HD3 ARG 93 HD3 ARG 93 15.767 -4.478 6.247 712 HE ARG 93 HE ARG 93 17.869 -3.973 7.845 713 HH11 ARG 93 HH11 ARG 93 15.820 -6.794 7.461 714 HH12 ARG 93 HH12 ARG 93 17.076 -7.916 7.903 715 HH21 ARG 93 HH21 ARG 93 19.508 -5.437 8.425 716 HH22 ARG 93 HH22 ARG 93 19.156 -7.145 8.490 717 H LYS 94 H LYS 94 16.675 -4.438 11.558 718 HA LYS 94 HA LYS 94 15.592 -3.120 13.951 719 HB2 LYS 94 HB2 LYS 94 16.871 -5.005 15.143 720 HB3 LYS 94 HB3 LYS 94 15.387 -5.425 14.302 721 HG2 LYS 94 HG2 LYS 94 16.745 -6.181 12.372 722 HG3 LYS 94 HG3 LYS 94 18.200 -5.846 13.309 723 HD2 LYS 94 HD2 LYS 94 16.029 -7.787 14.106 724 HD3 LYS 94 HD3 LYS 94 17.559 -8.231 13.346 725 HE2 LYS 94 HE2 LYS 94 18.756 -7.221 15.252 726 HE3 LYS 94 HE3 LYS 94 17.206 -6.889 16.021 727 HZ1 LYS 94 HZ1 LYS 94 18.201 -8.919 16.868 728 HZ2 LYS 94 HZ2 LYS 94 18.244 -9.581 15.307 729 HZ3 LYS 94 HZ3 LYS 94 16.751 -9.263 16.054 730 H TYR 95 H TYR 95 16.825 -1.722 15.041 731 HA TYR 95 HA TYR 95 19.726 -1.700 14.531 732 HB2 TYR 95 HB2 TYR 95 17.931 0.741 14.563 733 HB3 TYR 95 HB3 TYR 95 19.687 0.761 14.417 734 HD1 TYR 95 HD1 TYR 95 16.538 -0.027 12.706 735 HD2 TYR 95 HD2 TYR 95 20.766 0.201 12.327 736 HE1 TYR 95 HE1 TYR 95 16.323 -0.201 10.265 737 HE2 TYR 95 HE2 TYR 95 20.561 0.021 9.882 738 HH TYR 95 HH TYR 95 19.011 -0.755 8.205 739 H LYS 96 H LYS 96 21.003 -0.824 16.203 740 HA LYS 96 HA LYS 96 19.624 -0.563 18.794 741 HB2 LYS 96 HB2 LYS 96 21.081 -2.600 18.514 742 HB3 LYS 96 HB3 LYS 96 22.455 -1.525 18.319 743 HG2 LYS 96 HG2 LYS 96 22.483 -2.254 20.562 744 HG3 LYS 96 HG3 LYS 96 21.897 -0.591 20.596 745 HD2 LYS 96 HD2 LYS 96 20.586 -2.005 22.081 746 HD3 LYS 96 HD3 LYS 96 19.596 -1.410 20.747 747 HE2 LYS 96 HE2 LYS 96 19.964 -3.557 19.574 748 HE3 LYS 96 HE3 LYS 96 20.848 -4.144 20.982 749 HZ1 LYS 96 HZ1 LYS 96 18.826 -3.838 22.311 750 HZ2 LYS 96 HZ2 LYS 96 18.564 -4.911 21.032 751 HZ3 LYS 96 HZ3 LYS 96 17.988 -3.321 20.934 752 H MET 97 H MET 97 20.120 1.198 20.026 753 HA MET 97 HA MET 97 21.341 3.434 18.689 754 HB2 MET 97 HB2 MET 97 20.289 3.214 21.520 755 HB3 MET 97 HB3 MET 97 20.647 4.706 20.659 756 HG2 MET 97 HG2 MET 97 18.542 2.706 19.874 757 HG3 MET 97 HG3 MET 97 18.252 4.211 20.744 758 HE1 MET 97 HE1 MET 97 18.760 6.949 18.143 759 HE2 MET 97 HE2 MET 97 19.791 6.459 19.489 760 HE3 MET 97 HE3 MET 97 18.038 6.496 19.686 761 H THR 98 H THR 98 23.280 1.564 18.957 762 HA THR 98 HA THR 98 24.674 1.920 21.470 763 HB THR 98 HB THR 98 24.465 -0.332 20.757 764 HG1 THR 98 HG1 THR 98 27.063 0.753 20.568 765 HG21 THR 98 HG21 THR 98 25.398 -1.138 18.636 766 HG22 THR 98 HG22 THR 98 25.770 0.529 18.194 767 HG23 THR 98 HG23 THR 98 24.094 0.028 18.410 768 H SER 99 H SER 99 24.553 4.033 19.292 769 HA SER 99 HA SER 99 27.370 4.722 19.575 770 HB2 SER 99 HB2 SER 99 25.870 4.837 16.952 771 HB3 SER 99 HB3 SER 99 27.484 5.493 17.228 772 HG SER 99 HG SER 99 27.429 2.965 18.084 773 H ILE 100 H ILE 100 25.583 5.712 21.189 774 HA ILE 100 HA ILE 100 24.500 8.211 20.157 775 HB ILE 100 HB ILE 100 24.222 6.863 22.851 776 HG12 ILE 100 HG12 ILE 100 22.200 7.419 20.667 777 HG13 ILE 100 HG13 ILE 100 22.922 5.852 21.013 778 HG21 ILE 100 HG21 ILE 100 22.636 8.640 23.428 779 HG22 ILE 100 HG22 ILE 100 23.030 9.470 21.922 780 HG23 ILE 100 HG23 ILE 100 24.262 9.271 23.167 781 HD11 ILE 100 HD11 ILE 100 21.879 5.884 23.236 782 HD12 ILE 100 HD12 ILE 100 20.696 5.978 21.932 783 HD13 ILE 100 HD13 ILE 100 21.121 7.428 22.838 784 H ARG 101 H ARG 101 25.680 9.996 20.239 785 HA ARG 101 HA ARG 101 27.491 10.437 22.471 786 HB2 ARG 101 HB2 ARG 101 29.380 10.978 20.959 787 HB3 ARG 101 HB3 ARG 101 28.908 9.283 20.898 788 HG2 ARG 101 HG2 ARG 101 28.237 9.403 18.749 789 HG3 ARG 101 HG3 ARG 101 27.637 11.052 18.914 790 HD2 ARG 101 HD2 ARG 101 29.596 10.850 17.404 791 HD3 ARG 101 HD3 ARG 101 29.852 11.944 18.760 792 HE ARG 101 HE ARG 101 30.818 9.190 19.001 793 HH11 ARG 101 HH11 ARG 101 31.514 12.581 18.499 794 HH12 ARG 101 HH12 ARG 101 33.197 12.436 18.901 795 HH21 ARG 101 HH21 ARG 101 33.042 8.974 19.498 796 HH22 ARG 101 HH22 ARG 101 34.067 10.378 19.450 797 H ASP 102 H ASP 102 28.027 12.612 22.785 798 HA ASP 102 HA ASP 102 26.244 14.450 21.351 799 HB2 ASP 102 HB2 ASP 102 26.370 15.912 23.297 800 HB3 ASP 102 HB3 ASP 102 25.867 14.299 23.781 801 H VAL 103 H VAL 103 26.983 16.130 20.263 802 HA VAL 103 HA VAL 103 29.781 16.942 20.585 803 HB VAL 103 HB VAL 103 29.940 17.326 18.126 804 HG11 VAL 103 HG11 VAL 103 30.958 15.356 19.126 805 HG12 VAL 103 HG12 VAL 103 30.337 14.983 17.518 806 HG13 VAL 103 HG13 VAL 103 29.446 14.465 18.948 807 HG21 VAL 103 HG21 VAL 103 28.376 16.200 16.621 808 HG22 VAL 103 HG22 VAL 103 27.548 17.401 17.612 809 HG23 VAL 103 HG23 VAL 103 27.406 15.686 18.002 810 H LYS 104 H LYS 104 30.150 19.162 20.174 811 HA LYS 104 HA LYS 104 27.753 20.773 19.719 812 HB2 LYS 104 HB2 LYS 104 28.391 22.245 21.654 813 HB3 LYS 104 HB3 LYS 104 27.794 20.652 22.096 814 HG2 LYS 104 HG2 LYS 104 30.119 19.899 22.414 815 HG3 LYS 104 HG3 LYS 104 30.673 21.532 22.043 816 HD2 LYS 104 HD2 LYS 104 29.234 22.330 23.952 817 HD3 LYS 104 HD3 LYS 104 29.004 20.631 24.381 818 HE2 LYS 104 HE2 LYS 104 30.811 21.682 25.673 819 HE3 LYS 104 HE3 LYS 104 31.394 20.352 24.672 820 HZ1 LYS 104 HZ1 LYS 104 32.351 21.840 23.149 821 HZ2 LYS 104 HZ2 LYS 104 32.765 22.461 24.674 822 HZ3 LYS 104 HZ3 LYS 104 31.515 23.174 23.778 823 HA PRO 105 HA PRO 105 31.142 22.867 17.554 824 HB2 PRO 105 HB2 PRO 105 30.190 22.612 15.065 825 HB3 PRO 105 HB3 PRO 105 31.013 21.269 15.869 826 HG2 PRO 105 HG2 PRO 105 28.142 21.628 15.268 827 HG3 PRO 105 HG3 PRO 105 29.063 20.137 15.512 828 HD2 PRO 105 HD2 PRO 105 27.414 21.543 17.406 829 HD3 PRO 105 HD3 PRO 105 28.315 20.033 17.642 830 H THR 106 H THR 106 30.464 24.485 15.432 831 HA THR 106 HA THR 106 27.900 25.661 15.560 832 HB THR 106 HB THR 106 28.932 26.593 17.667 833 HG1 THR 106 HG1 THR 106 27.235 27.652 16.389 834 HG21 THR 106 HG21 THR 106 31.220 26.894 16.889 835 HG22 THR 106 HG22 THR 106 30.548 28.436 17.424 836 HG23 THR 106 HG23 THR 106 30.679 28.082 15.701 837 H ASP 107 H ASP 107 30.060 24.645 13.744 838 HA ASP 107 HA ASP 107 29.983 26.803 11.805 839 HB2 ASP 107 HB2 ASP 107 32.156 26.911 13.225 840 HB3 ASP 107 HB3 ASP 107 32.629 25.462 12.344 841 H VAL 108 H VAL 108 30.483 26.004 9.615 842 HA VAL 108 HA VAL 108 29.961 23.104 9.458 843 HB VAL 108 HB VAL 108 28.540 23.475 7.520 844 HG11 VAL 108 HG11 VAL 108 26.651 24.609 8.635 845 HG12 VAL 108 HG12 VAL 108 27.753 25.133 9.909 846 HG13 VAL 108 HG13 VAL 108 27.446 23.414 9.657 847 HG21 VAL 108 HG21 VAL 108 27.858 25.723 6.849 848 HG22 VAL 108 HG22 VAL 108 29.592 25.477 6.637 849 HG23 VAL 108 HG23 VAL 108 28.994 26.413 8.008 850 H GLU 109 H GLU 109 30.343 22.245 7.216 851 HA GLU 109 HA GLU 109 31.687 21.695 5.527 852 HB2 GLU 109 HB2 GLU 109 32.354 24.631 5.498 853 HB3 GLU 109 HB3 GLU 109 32.761 23.478 4.236 854 HG2 GLU 109 HG2 GLU 109 30.341 22.994 3.972 855 HG3 GLU 109 HG3 GLU 109 30.010 24.296 5.112 856 H VAL 110 H VAL 110 32.884 22.644 8.412 857 HA VAL 110 HA VAL 110 35.691 22.328 7.806 858 HB VAL 110 HB VAL 110 34.959 23.825 9.630 859 HG11 VAL 110 HG11 VAL 110 34.161 22.892 11.753 860 HG12 VAL 110 HG12 VAL 110 34.079 21.294 11.009 861 HG13 VAL 110 HG13 VAL 110 33.033 22.591 10.430 862 HG21 VAL 110 HG21 VAL 110 36.562 23.082 11.332 863 HG22 VAL 110 HG22 VAL 110 37.208 22.921 9.698 864 HG23 VAL 110 HG23 VAL 110 36.630 21.495 10.563 865 H LEU 111 H LEU 111 33.026 20.327 8.522 866 HA LEU 111 HA LEU 111 34.725 18.089 9.351 867 HB2 LEU 111 HB2 LEU 111 31.713 18.341 9.309 868 HB3 LEU 111 HB3 LEU 111 32.606 16.948 9.890 869 HG LEU 111 HG LEU 111 32.694 19.711 11.111 870 HD11 LEU 111 HD11 LEU 111 31.478 18.678 12.968 871 HD12 LEU 111 HD12 LEU 111 31.364 17.176 12.054 872 HD13 LEU 111 HD13 LEU 111 30.549 18.626 11.470 873 HD21 LEU 111 HD21 LEU 111 33.944 18.652 12.909 874 HD22 LEU 111 HD22 LEU 111 34.795 18.476 11.374 875 HD23 LEU 111 HD23 LEU 111 33.904 17.113 12.051 876 H ASP 112 H ASP 112 34.858 16.208 8.176 877 HA ASP 112 HA ASP 112 33.778 16.345 5.435 878 HB2 ASP 112 HB2 ASP 112 36.240 16.468 5.563 879 HB3 ASP 112 HB3 ASP 112 36.264 14.939 6.430 880 H GLU 113 H GLU 113 32.877 14.512 4.543 881 HA GLU 113 HA GLU 113 31.780 12.638 6.466 882 HB2 GLU 113 HB2 GLU 113 30.804 13.772 4.160 883 HB3 GLU 113 HB3 GLU 113 31.233 12.154 3.625 884 HG2 GLU 113 HG2 GLU 113 29.405 12.831 5.920 885 HG3 GLU 113 HG3 GLU 113 28.907 12.273 4.325 886 H GLN 114 H GLN 114 32.186 10.445 6.516 887 HA GLN 114 HA GLN 114 34.802 9.811 5.334 888 HB2 GLN 114 HB2 GLN 114 33.562 8.723 7.865 889 HB3 GLN 114 HB3 GLN 114 35.186 8.380 7.275 890 HG2 GLN 114 HG2 GLN 114 34.122 11.057 8.149 891 HG3 GLN 114 HG3 GLN 114 35.269 10.043 9.025 892 HE21 GLN 114 HE21 GLN 114 35.357 12.801 7.771 893 HE22 GLN 114 HE22 GLN 114 36.805 12.786 6.822 894 H LYS 115 H LYS 115 35.241 7.813 4.518 895 HA LYS 115 HA LYS 115 32.872 6.294 3.682 896 HB2 LYS 115 HB2 LYS 115 35.632 6.475 2.442 897 HB3 LYS 115 HB3 LYS 115 34.350 5.425 1.859 898 HG2 LYS 115 HG2 LYS 115 34.332 7.302 0.442 899 HG3 LYS 115 HG3 LYS 115 32.961 7.519 1.529 900 HD2 LYS 115 HD2 LYS 115 34.362 9.021 2.920 901 HD3 LYS 115 HD3 LYS 115 35.658 8.858 1.735 902 HE2 LYS 115 HE2 LYS 115 34.227 9.836 0.020 903 HE3 LYS 115 HE3 LYS 115 32.906 9.964 1.181 904 HZ1 LYS 115 HZ1 LYS 115 34.222 11.501 2.481 905 HZ2 LYS 115 HZ2 LYS 115 34.081 12.067 0.888 906 HZ3 LYS 115 HZ3 LYS 115 35.527 11.347 1.405 907 H GLY 116 H GLY 116 32.982 3.985 3.725 908 HA2 GLY 116 HA2 GLY 116 33.932 1.942 4.502 909 HA3 GLY 116 HA3 GLY 116 35.045 2.874 5.499 910 H LYS 117 H LYS 117 31.532 2.882 5.087 911 HA LYS 117 HA LYS 117 31.214 3.119 7.980 912 HB2 LYS 117 HB2 LYS 117 29.242 3.376 5.705 913 HB3 LYS 117 HB3 LYS 117 28.844 3.612 7.399 914 HG2 LYS 117 HG2 LYS 117 30.961 5.232 6.028 915 HG3 LYS 117 HG3 LYS 117 29.255 5.681 5.988 916 HD2 LYS 117 HD2 LYS 117 29.224 5.713 8.446 917 HD3 LYS 117 HD3 LYS 117 30.940 5.306 8.465 918 HE2 LYS 117 HE2 LYS 117 30.428 7.740 8.772 919 HE3 LYS 117 HE3 LYS 117 31.525 7.372 7.443 920 HZ1 LYS 117 HZ1 LYS 117 29.771 7.670 5.881 921 HZ2 LYS 117 HZ2 LYS 117 29.782 9.028 6.890 922 HZ3 LYS 117 HZ3 LYS 117 28.610 7.819 7.100 923 H ASP 118 H ASP 118 29.210 2.016 8.847 924 HA ASP 118 HA ASP 118 28.798 -0.664 7.696 925 HB2 ASP 118 HB2 ASP 118 29.796 -0.539 10.072 926 HB3 ASP 118 HB3 ASP 118 28.246 0.125 10.568 927 H LYS 119 H LYS 119 26.447 -1.330 8.753 928 HA LYS 119 HA LYS 119 24.592 0.517 7.565 929 HB2 LYS 119 HB2 LYS 119 24.194 -1.992 9.208 930 HB3 LYS 119 HB3 LYS 119 22.856 -1.053 8.562 931 HG2 LYS 119 HG2 LYS 119 23.108 -2.765 7.024 932 HG3 LYS 119 HG3 LYS 119 23.979 -1.427 6.277 933 HD2 LYS 119 HD2 LYS 119 25.249 -3.493 6.088 934 HD3 LYS 119 HD3 LYS 119 26.091 -2.334 7.121 935 HE2 LYS 119 HE2 LYS 119 25.124 -3.495 9.099 936 HE3 LYS 119 HE3 LYS 119 24.458 -4.710 8.010 937 HZ1 LYS 119 HZ1 LYS 119 27.345 -4.057 8.250 938 HZ2 LYS 119 HZ2 LYS 119 26.661 -5.314 7.330 939 HZ3 LYS 119 HZ3 LYS 119 26.586 -5.360 9.024 940 H GLN 120 H GLN 120 24.395 2.426 8.625 941 HA GLN 120 HA GLN 120 23.554 2.340 11.426 942 HB2 GLN 120 HB2 GLN 120 25.118 4.177 12.003 943 HB3 GLN 120 HB3 GLN 120 25.946 2.688 11.571 944 HG2 GLN 120 HG2 GLN 120 26.371 3.588 9.330 945 HG3 GLN 120 HG3 GLN 120 25.569 5.089 9.792 946 HE21 GLN 120 HE21 GLN 120 26.592 6.487 11.227 947 HE22 GLN 120 HE22 GLN 120 28.276 6.356 11.588 948 H LEU 121 H LEU 121 21.930 3.694 11.842 949 HA LEU 121 HA LEU 121 21.300 5.754 9.851 950 HB2 LEU 121 HB2 LEU 121 19.565 5.109 12.214 951 HB3 LEU 121 HB3 LEU 121 19.114 5.832 10.682 952 HG LEU 121 HG LEU 121 19.814 2.931 11.133 953 HD11 LEU 121 HD11 LEU 121 17.196 4.288 10.506 954 HD12 LEU 121 HD12 LEU 121 17.648 3.555 12.046 955 HD13 LEU 121 HD13 LEU 121 17.456 2.547 10.611 956 HD21 LEU 121 HD21 LEU 121 19.111 2.613 8.806 957 HD22 LEU 121 HD22 LEU 121 20.528 3.658 8.925 958 HD23 LEU 121 HD23 LEU 121 18.938 4.359 8.627 959 H THR 122 H THR 122 22.095 7.687 10.242 960 HA THR 122 HA THR 122 22.790 8.427 12.988 961 HB THR 122 HB THR 122 23.485 9.910 10.448 962 HG1 THR 122 HG1 THR 122 24.242 7.552 10.889 963 HG21 THR 122 HG21 THR 122 24.697 9.935 13.218 964 HG22 THR 122 HG22 THR 122 23.714 11.216 12.508 965 HG23 THR 122 HG23 THR 122 25.297 10.840 11.829 966 H LEU 123 H LEU 123 20.916 9.095 13.919 967 HA LEU 123 HA LEU 123 19.121 10.879 12.529 968 HB2 LEU 123 HB2 LEU 123 19.070 9.694 15.303 969 HB3 LEU 123 HB3 LEU 123 17.860 10.817 14.718 970 HG LEU 123 HG LEU 123 17.395 9.143 12.864 971 HD11 LEU 123 HD11 LEU 123 17.991 6.814 13.318 972 HD12 LEU 123 HD12 LEU 123 18.996 7.346 14.668 973 HD13 LEU 123 HD13 LEU 123 19.410 7.819 13.019 974 HD21 LEU 123 HD21 LEU 123 15.973 7.765 14.308 975 HD22 LEU 123 HD22 LEU 123 15.899 9.472 14.748 976 HD23 LEU 123 HD23 LEU 123 16.854 8.352 15.720 977 H ILE 124 H ILE 124 19.857 12.875 12.301 978 HA ILE 124 HA ILE 124 21.255 14.203 14.481 979 HB ILE 124 HB ILE 124 20.550 15.248 11.734 980 HG12 ILE 124 HG12 ILE 124 23.186 14.186 12.781 981 HG13 ILE 124 HG13 ILE 124 22.112 13.321 11.686 982 HG21 ILE 124 HG21 ILE 124 22.414 16.341 13.840 983 HG22 ILE 124 HG22 ILE 124 20.855 17.025 13.381 984 HG23 ILE 124 HG23 ILE 124 22.186 17.006 12.224 985 HD11 ILE 124 HD11 ILE 124 22.437 15.046 10.000 986 HD12 ILE 124 HD12 ILE 124 23.972 14.336 10.498 987 HD13 ILE 124 HD13 ILE 124 23.500 15.926 11.098 988 H THR 125 H THR 125 19.791 14.672 16.033 989 HA THR 125 HA THR 125 17.336 16.066 15.314 990 HB THR 125 HB THR 125 16.953 16.049 17.827 991 HG1 THR 125 HG1 THR 125 19.037 14.114 17.872 992 HG21 THR 125 HG21 THR 125 17.328 13.373 16.478 993 HG22 THR 125 HG22 THR 125 15.910 14.412 16.330 994 HG23 THR 125 HG23 THR 125 16.315 13.690 17.887 995 H CYS 126 H CYS 126 16.987 18.243 15.779 996 HA CYS 126 HA CYS 126 19.036 19.706 17.221 997 HB2 CYS 126 HB2 CYS 126 19.486 21.281 15.406 998 HB3 CYS 126 HB3 CYS 126 19.908 19.645 14.917 999 H ASP 127 H ASP 127 18.152 21.265 18.400 1000 HA ASP 127 HA ASP 127 15.416 22.139 17.825 1001 HB2 ASP 127 HB2 ASP 127 17.187 22.613 20.241 1002 HB3 ASP 127 HB3 ASP 127 15.549 23.227 20.069 1003 H ASP 128 H ASP 128 18.557 23.508 18.692 1004 HA ASP 128 HA ASP 128 17.860 26.172 18.023 1005 HB2 ASP 128 HB2 ASP 128 20.479 26.399 18.099 1006 HB3 ASP 128 HB3 ASP 128 19.567 26.128 19.574 1007 H TYR 129 H TYR 129 17.063 26.136 15.946 1008 HA TYR 129 HA TYR 129 19.097 26.774 14.031 1009 HB2 TYR 129 HB2 TYR 129 19.011 24.454 13.453 1010 HB3 TYR 129 HB3 TYR 129 17.251 24.437 13.519 1011 HD1 TYR 129 HD1 TYR 129 20.089 25.966 11.644 1012 HD2 TYR 129 HD2 TYR 129 16.007 24.773 11.563 1013 HE1 TYR 129 HE1 TYR 129 19.991 26.473 9.239 1014 HE2 TYR 129 HE2 TYR 129 15.894 25.287 9.163 1015 HH TYR 129 HH TYR 129 18.654 25.831 7.267 1016 H ASN 130 H ASN 130 18.428 28.669 13.376 1017 HA ASN 130 HA ASN 130 15.579 29.003 12.723 1018 HB2 ASN 130 HB2 ASN 130 16.589 30.615 14.399 1019 HB3 ASN 130 HB3 ASN 130 17.613 31.213 13.098 1020 HD21 ASN 130 HD21 ASN 130 15.696 32.697 14.597 1021 HD22 ASN 130 HD22 ASN 130 14.489 33.258 13.484 1022 H GLU 131 H GLU 131 15.077 29.066 10.636 1023 HA GLU 131 HA GLU 131 17.087 28.718 8.653 1024 HB2 GLU 131 HB2 GLU 131 15.164 28.797 7.060 1025 HB3 GLU 131 HB3 GLU 131 14.958 27.635 8.365 1026 HG2 GLU 131 HG2 GLU 131 13.403 29.005 9.479 1027 HG3 GLU 131 HG3 GLU 131 13.807 30.405 8.487 1028 H LYS 132 H LYS 132 15.449 31.445 9.955 1029 HA LYS 132 HA LYS 132 15.454 33.237 7.815 1030 HB2 LYS 132 HB2 LYS 132 14.326 33.454 10.082 1031 HB3 LYS 132 HB3 LYS 132 15.885 33.943 10.718 1032 HG2 LYS 132 HG2 LYS 132 14.513 35.406 8.486 1033 HG3 LYS 132 HG3 LYS 132 14.256 35.776 10.187 1034 HD2 LYS 132 HD2 LYS 132 16.725 36.135 10.388 1035 HD3 LYS 132 HD3 LYS 132 16.825 35.987 8.632 1036 HE2 LYS 132 HE2 LYS 132 16.716 38.327 9.277 1037 HE3 LYS 132 HE3 LYS 132 15.256 37.862 8.398 1038 HZ1 LYS 132 HZ1 LYS 132 14.093 37.649 10.505 1039 HZ2 LYS 132 HZ2 LYS 132 14.737 39.207 10.344 1040 HZ3 LYS 132 HZ3 LYS 132 15.496 38.075 11.354 1041 H THR 133 H THR 133 17.720 33.291 10.550 1042 HA THR 133 HA THR 133 19.606 34.756 8.876 1043 HB THR 133 HB THR 133 19.261 35.952 10.832 1044 HG1 THR 133 HG1 THR 133 21.627 34.682 10.601 1045 HG21 THR 133 HG21 THR 133 17.969 34.323 12.056 1046 HG22 THR 133 HG22 THR 133 19.250 34.956 13.096 1047 HG23 THR 133 HG23 THR 133 19.416 33.359 12.365 1048 H GLY 134 H GLY 134 19.132 31.637 10.190 1049 HA2 GLY 134 HA2 GLY 134 20.386 29.727 9.815 1050 HA3 GLY 134 HA3 GLY 134 21.618 30.724 9.053 1051 H VAL 135 H VAL 135 20.346 29.616 12.145 1052 HA VAL 135 HA VAL 135 23.027 29.983 13.265 1053 HB VAL 135 HB VAL 135 21.563 31.768 14.132 1054 HG11 VAL 135 HG11 VAL 135 19.437 30.587 14.042 1055 HG12 VAL 135 HG12 VAL 135 19.740 31.227 15.659 1056 HG13 VAL 135 HG13 VAL 135 19.977 29.511 15.330 1057 HG21 VAL 135 HG21 VAL 135 22.375 29.727 16.190 1058 HG22 VAL 135 HG22 VAL 135 22.042 31.428 16.506 1059 HG23 VAL 135 HG23 VAL 135 23.411 30.973 15.492 1060 H TRP 136 H TRP 136 23.685 28.457 14.715 1061 HA TRP 136 HA TRP 136 21.963 26.276 15.505 1062 HB2 TRP 136 HB2 TRP 136 23.723 24.614 14.563 1063 HB3 TRP 136 HB3 TRP 136 22.538 25.291 13.452 1064 HD1 TRP 136 HD1 TRP 136 26.258 25.713 14.426 1065 HE1 TRP 136 HE1 TRP 136 27.502 26.715 12.406 1066 HE3 TRP 136 HE3 TRP 136 22.269 26.509 11.327 1067 HZ2 TRP 136 HZ2 TRP 136 26.876 27.698 9.841 1068 HZ3 TRP 136 HZ3 TRP 136 22.679 27.484 9.105 1069 HH2 TRP 136 HH2 TRP 136 24.937 28.066 8.380 1070 H GLU 137 H GLU 137 22.740 25.220 17.343 1071 HA GLU 137 HA GLU 137 25.214 26.405 18.420 1072 HB2 GLU 137 HB2 GLU 137 22.753 25.639 19.991 1073 HB3 GLU 137 HB3 GLU 137 24.224 26.349 20.640 1074 HG2 GLU 137 HG2 GLU 137 23.785 28.352 19.197 1075 HG3 GLU 137 HG3 GLU 137 22.217 27.641 18.816 1076 H LYS 138 H LYS 138 23.012 23.659 19.232 1077 HA LYS 138 HA LYS 138 25.171 21.782 19.177 1078 HB2 LYS 138 HB2 LYS 138 25.153 21.385 21.706 1079 HB3 LYS 138 HB3 LYS 138 26.033 22.786 21.118 1080 HG2 LYS 138 HG2 LYS 138 24.877 23.520 23.022 1081 HG3 LYS 138 HG3 LYS 138 23.959 24.145 21.653 1082 HD2 LYS 138 HD2 LYS 138 22.544 22.007 21.910 1083 HD3 LYS 138 HD3 LYS 138 23.286 21.882 23.504 1084 HE2 LYS 138 HE2 LYS 138 21.139 23.021 23.633 1085 HE3 LYS 138 HE3 LYS 138 22.456 24.110 24.065 1086 HZ1 LYS 138 HZ1 LYS 138 22.341 25.101 21.892 1087 HZ2 LYS 138 HZ2 LYS 138 20.806 25.148 22.593 1088 HZ3 LYS 138 HZ3 LYS 138 21.151 24.003 21.388 1089 H ARG 139 H ARG 139 24.556 19.642 19.681 1090 HA ARG 139 HA ARG 139 22.107 18.965 20.912 1091 HB2 ARG 139 HB2 ARG 139 21.934 19.599 18.130 1092 HB3 ARG 139 HB3 ARG 139 21.665 17.873 18.327 1093 HG2 ARG 139 HG2 ARG 139 20.191 19.981 19.891 1094 HG3 ARG 139 HG3 ARG 139 19.602 19.276 18.384 1095 HD2 ARG 139 HD2 ARG 139 19.641 17.056 19.410 1096 HD3 ARG 139 HD3 ARG 139 20.233 17.761 20.913 1097 HE ARG 139 HE ARG 139 17.922 19.126 20.422 1098 HH11 ARG 139 HH11 ARG 139 18.689 15.709 20.597 1099 HH12 ARG 139 HH12 ARG 139 17.147 15.277 21.256 1100 HH21 ARG 139 HH21 ARG 139 15.919 18.575 21.254 1101 HH22 ARG 139 HH22 ARG 139 15.558 16.912 21.653 1102 H LYS 140 H LYS 140 22.086 16.846 21.485 1103 HA LYS 140 HA LYS 140 24.452 15.293 20.981 1104 HB2 LYS 140 HB2 LYS 140 23.306 15.362 23.186 1105 HB3 LYS 140 HB3 LYS 140 21.924 14.547 22.471 1106 HG2 LYS 140 HG2 LYS 140 24.457 13.146 22.068 1107 HG3 LYS 140 HG3 LYS 140 23.997 13.331 23.762 1108 HD2 LYS 140 HD2 LYS 140 22.212 12.204 21.608 1109 HD3 LYS 140 HD3 LYS 140 23.166 11.235 22.733 1110 HE2 LYS 140 HE2 LYS 140 21.001 13.198 23.486 1111 HE3 LYS 140 HE3 LYS 140 20.831 11.444 23.457 1112 HZ1 LYS 140 HZ1 LYS 140 22.743 11.442 25.113 1113 HZ2 LYS 140 HZ2 LYS 140 21.236 11.977 25.675 1114 HZ3 LYS 140 HZ3 LYS 140 22.446 13.104 25.300 1115 H ILE 141 H ILE 141 24.691 13.669 19.540 1116 HA ILE 141 HA ILE 141 22.560 13.365 17.595 1117 HB ILE 141 HB ILE 141 25.459 12.526 17.520 1118 HG12 ILE 141 HG12 ILE 141 25.186 14.957 17.533 1119 HG13 ILE 141 HG13 ILE 141 25.726 14.405 15.951 1120 HG21 ILE 141 HG21 ILE 141 24.075 11.116 16.115 1121 HG22 ILE 141 HG22 ILE 141 25.115 12.155 15.143 1122 HG23 ILE 141 HG23 ILE 141 23.404 12.541 15.327 1123 HD11 ILE 141 HD11 ILE 141 24.037 16.134 15.749 1124 HD12 ILE 141 HD12 ILE 141 22.908 15.158 16.691 1125 HD13 ILE 141 HD13 ILE 141 23.447 14.602 15.106 1126 H PHE 142 H PHE 142 21.621 11.451 17.057 1127 HA PHE 142 HA PHE 142 22.167 9.174 18.842 1128 HB2 PHE 142 HB2 PHE 142 19.635 9.952 17.374 1129 HB3 PHE 142 HB3 PHE 142 19.834 8.463 18.286 1130 HD1 PHE 142 HD1 PHE 142 19.415 12.087 18.496 1131 HD2 PHE 142 HD2 PHE 142 19.866 8.472 20.700 1132 HE1 PHE 142 HE1 PHE 142 18.654 13.238 20.528 1133 HE2 PHE 142 HE2 PHE 142 19.103 9.621 22.740 1134 HZ PHE 142 HZ PHE 142 18.496 12.006 22.655 1135 H VAL 143 H VAL 143 23.456 7.756 17.796 1136 HA VAL 143 HA VAL 143 22.841 7.181 14.975 1137 HB VAL 143 HB VAL 143 25.394 6.539 16.459 1138 HG11 VAL 143 HG11 VAL 143 26.302 6.092 14.227 1139 HG12 VAL 143 HG12 VAL 143 24.718 6.413 13.520 1140 HG13 VAL 143 HG13 VAL 143 24.940 5.035 14.597 1141 HG21 VAL 143 HG21 VAL 143 25.097 8.962 16.224 1142 HG22 VAL 143 HG22 VAL 143 24.860 8.764 14.488 1143 HG23 VAL 143 HG23 VAL 143 26.416 8.369 15.218 1144 H ALA 144 H ALA 144 21.827 5.341 14.590 1145 HA ALA 144 HA ALA 144 22.087 3.162 16.556 1146 HB1 ALA 144 HB1 ALA 144 19.828 3.665 14.623 1147 HB2 ALA 144 HB2 ALA 144 19.814 4.051 16.345 1148 HB3 ALA 144 HB3 ALA 144 19.918 2.371 15.820 1149 H THR 145 H THR 145 23.275 1.530 15.921 1150 HA THR 145 HA THR 145 23.830 1.130 13.085 1151 HB THR 145 HB THR 145 25.010 -0.366 15.433 1152 HG1 THR 145 HG1 THR 145 25.607 2.165 14.341 1153 HG21 THR 145 HG21 THR 145 26.875 -0.776 13.898 1154 HG22 THR 145 HG22 THR 145 26.032 0.113 12.630 1155 HG23 THR 145 HG23 THR 145 25.363 -1.401 13.237 1156 H GLU 146 H GLU 146 23.364 -0.789 11.997 1157 HA GLU 146 HA GLU 146 21.005 -2.128 12.745 1158 HB2 GLU 146 HB2 GLU 146 21.689 -1.919 10.414 1159 HB3 GLU 146 HB3 GLU 146 23.109 -2.912 10.719 1160 HG2 GLU 146 HG2 GLU 146 21.725 -4.830 11.167 1161 HG3 GLU 146 HG3 GLU 146 20.267 -3.851 11.018 1162 H VAL 147 H VAL 147 20.665 -3.744 14.085 1163 HA VAL 147 HA VAL 147 22.971 -5.246 15.051 1164 HB VAL 147 HB VAL 147 21.918 -4.236 16.845 1165 HG11 VAL 147 HG11 VAL 147 19.530 -4.356 17.327 1166 HG12 VAL 147 HG12 VAL 147 19.294 -5.281 15.844 1167 HG13 VAL 147 HG13 VAL 147 19.849 -3.611 15.761 1168 HG21 VAL 147 HG21 VAL 147 21.006 -6.035 18.229 1169 HG22 VAL 147 HG22 VAL 147 22.478 -6.505 17.379 1170 HG23 VAL 147 HG23 VAL 147 20.908 -7.054 16.792 1171 H LYS 148 H LYS 148 22.725 -7.445 15.481 1172 HA LYS 148 HA LYS 148 21.298 -8.742 13.272 1173 HB2 LYS 148 HB2 LYS 148 22.892 -10.642 13.702 1174 HB3 LYS 148 HB3 LYS 148 23.634 -9.146 13.150 1175 HG2 LYS 148 HG2 LYS 148 24.073 -8.650 15.607 1176 HG3 LYS 148 HG3 LYS 148 23.661 -10.342 15.899 1177 HD2 LYS 148 HD2 LYS 148 25.432 -11.046 14.376 1178 HD3 LYS 148 HD3 LYS 148 25.827 -9.359 14.041 1179 HE2 LYS 148 HE2 LYS 148 26.304 -9.068 16.470 1180 HE3 LYS 148 HE3 LYS 148 26.078 -10.804 16.669 1181 HZ1 LYS 148 HZ1 LYS 148 28.403 -10.287 16.448 1182 HZ2 LYS 148 HZ2 LYS 148 28.135 -9.481 14.984 1183 HZ3 LYS 148 HZ3 LYS 148 27.901 -11.156 15.079 1184 H6 2W7 201 H6 2W7 201 18.396 20.869 9.729 1185 H7 2W7 201 H7 2W7 201 19.269 22.862 8.543 1186 H8 2W7 201 H8 2W7 201 21.194 24.116 9.475 1187 H9 2W7 201 H9 2W7 201 22.239 23.389 11.600 1188 H3 2W7 201 H3 2W7 201 21.577 23.100 13.914 1189 H122 2W7 201 H122 2W7 201 23.380 22.898 15.275 1190 H121 2W7 201 H121 2W7 201 23.141 21.142 15.243 1191 H4 2W7 201 H4 2W7 201 23.346 21.443 12.076 1192 HZ12 2W7 201 HZ12 2W7 201 24.344 21.041 9.841 1193 HZ11 2W7 201 HZ11 2W7 201 23.982 19.495 10.631 1194 HY1 2W7 201 HY1 2W7 201 25.465 19.179 8.691 1195 HX22 2W7 201 HX22 2W7 201 27.744 20.097 8.741 1196 HX21 2W7 201 HX21 2W7 201 26.524 21.395 8.733 1197 HY3 2W7 201 HY3 2W7 201 28.302 21.849 10.420 1198 HZ21 2W7 201 HZ21 2W7 201 25.993 22.604 10.859 1199 HZ22 2W7 201 HZ22 2W7 201 26.829 22.167 12.361 1200 HX31 2W7 201 HX31 2W7 201 28.910 19.501 10.854 1201 HX32 2W7 201 HX32 2W7 201 28.527 20.350 12.364 1202 HY2 2W7 201 HY2 2W7 201 27.452 18.124 12.309 1203 HZ32 2W7 201 HZ32 2W7 201 26.322 19.980 13.473 1204 HZ31 2W7 201 HZ31 2W7 201 25.145 18.867 12.747 1205 HX12 2W7 201 HX12 2W7 201 27.266 17.941 9.860 1206 HX11 2W7 201 HX11 2W7 201 25.693 17.678 10.638 Start of MODEL 14 1 HA MET 1 HA MET 1 -3.333 -0.350 -5.225 2 HB2 MET 1 HB2 MET 1 -5.135 -0.858 -3.615 3 HB3 MET 1 HB3 MET 1 -3.932 -1.311 -2.417 4 HG2 MET 1 HG2 MET 1 -4.764 0.896 -1.962 5 HG3 MET 1 HG3 MET 1 -3.069 0.985 -2.440 6 HE1 MET 1 HE1 MET 1 -4.485 4.325 -3.885 7 HE2 MET 1 HE2 MET 1 -3.226 3.574 -2.903 8 HE3 MET 1 HE3 MET 1 -4.903 3.543 -2.360 9 H GLN 2 H GLN 2 -1.482 -2.702 -3.438 10 HA GLN 2 HA GLN 2 0.266 -0.826 -2.177 11 HB2 GLN 2 HB2 GLN 2 0.498 -3.790 -2.609 12 HB3 GLN 2 HB3 GLN 2 1.687 -2.830 -1.734 13 HG2 GLN 2 HG2 GLN 2 -1.223 -2.953 -0.978 14 HG3 GLN 2 HG3 GLN 2 0.003 -4.032 -0.312 15 HE21 GLN 2 HE21 GLN 2 -1.678 -2.029 1.011 16 HE22 GLN 2 HE22 GLN 2 -0.579 -0.951 1.804 17 H ALA 3 H ALA 3 2.723 -1.546 -2.421 18 HA ALA 3 HA ALA 3 3.715 -1.777 -5.085 19 HB1 ALA 3 HB1 ALA 3 4.576 0.499 -5.282 20 HB2 ALA 3 HB2 ALA 3 3.771 0.931 -3.772 21 HB3 ALA 3 HB3 ALA 3 2.815 0.488 -5.183 22 H LYS 4 H LYS 4 6.155 -0.920 -4.978 23 HA LYS 4 HA LYS 4 7.301 -2.199 -2.623 24 HB2 LYS 4 HB2 LYS 4 9.383 -2.267 -3.858 25 HB3 LYS 4 HB3 LYS 4 8.086 -2.876 -4.876 26 HG2 LYS 4 HG2 LYS 4 7.990 -0.719 -6.037 27 HG3 LYS 4 HG3 LYS 4 9.299 -0.121 -5.018 28 HD2 LYS 4 HD2 LYS 4 9.441 -2.412 -6.975 29 HD3 LYS 4 HD3 LYS 4 10.183 -0.823 -7.158 30 HE2 LYS 4 HE2 LYS 4 11.560 -1.259 -5.164 31 HE3 LYS 4 HE3 LYS 4 10.844 -2.865 -5.040 32 HZ1 LYS 4 HZ1 LYS 4 12.668 -1.818 -7.119 33 HZ2 LYS 4 HZ2 LYS 4 11.709 -3.189 -7.399 34 HZ3 LYS 4 HZ3 LYS 4 12.849 -3.197 -6.143 35 HA PRO 5 HA PRO 5 8.418 1.642 -0.755 36 HB2 PRO 5 HB2 PRO 5 10.490 0.839 0.791 37 HB3 PRO 5 HB3 PRO 5 8.810 0.434 1.158 38 HG2 PRO 5 HG2 PRO 5 10.920 -1.234 -0.152 39 HG3 PRO 5 HG3 PRO 5 9.721 -1.701 1.068 40 HD2 PRO 5 HD2 PRO 5 9.430 -2.241 -1.583 41 HD3 PRO 5 HD3 PRO 5 8.056 -1.974 -0.493 42 H GLN 6 H GLN 6 9.466 3.286 -1.640 43 HA GLN 6 HA GLN 6 12.284 3.082 -2.305 44 HB2 GLN 6 HB2 GLN 6 10.651 2.508 -4.331 45 HB3 GLN 6 HB3 GLN 6 10.519 4.260 -4.410 46 HG2 GLN 6 HG2 GLN 6 12.207 3.652 -5.929 47 HG3 GLN 6 HG3 GLN 6 13.031 4.330 -4.527 48 HE21 GLN 6 HE21 GLN 6 14.232 2.967 -3.188 49 HE22 GLN 6 HE22 GLN 6 14.680 1.371 -3.666 50 H ILE 7 H ILE 7 13.126 5.332 -2.889 51 HA ILE 7 HA ILE 7 11.652 7.310 -1.296 52 HB ILE 7 HB ILE 7 14.549 7.345 -2.173 53 HG12 ILE 7 HG12 ILE 7 13.321 6.859 0.555 54 HG13 ILE 7 HG13 ILE 7 14.090 5.640 -0.453 55 HG21 ILE 7 HG21 ILE 7 14.777 9.270 -0.673 56 HG22 ILE 7 HG22 ILE 7 13.042 9.229 -0.359 57 HG23 ILE 7 HG23 ILE 7 13.636 9.595 -1.979 58 HD11 ILE 7 HD11 ILE 7 16.222 6.762 -0.235 59 HD12 ILE 7 HD12 ILE 7 15.542 6.415 1.357 60 HD13 ILE 7 HD13 ILE 7 15.468 8.051 0.703 61 HA PRO 8 HA PRO 8 11.017 9.243 -5.333 62 HB2 PRO 8 HB2 PRO 8 8.549 10.275 -4.557 63 HB3 PRO 8 HB3 PRO 8 8.803 8.743 -5.393 64 HG2 PRO 8 HG2 PRO 8 7.854 9.125 -2.739 65 HG3 PRO 8 HG3 PRO 8 8.215 7.594 -3.546 66 HD2 PRO 8 HD2 PRO 8 9.844 9.142 -1.619 67 HD3 PRO 8 HD3 PRO 8 9.853 7.401 -1.969 68 H LYS 9 H LYS 9 10.195 11.594 -5.808 69 HA LYS 9 HA LYS 9 11.610 13.357 -3.984 70 HB2 LYS 9 HB2 LYS 9 11.306 15.049 -5.732 71 HB3 LYS 9 HB3 LYS 9 12.069 13.599 -6.354 72 HG2 LYS 9 HG2 LYS 9 9.904 12.894 -7.282 73 HG3 LYS 9 HG3 LYS 9 9.188 14.399 -6.699 74 HD2 LYS 9 HD2 LYS 9 10.694 15.690 -8.095 75 HD3 LYS 9 HD3 LYS 9 11.498 14.212 -8.627 76 HE2 LYS 9 HE2 LYS 9 9.331 13.455 -9.584 77 HE3 LYS 9 HE3 LYS 9 8.647 15.027 -9.170 78 HZ1 LYS 9 HZ1 LYS 9 10.944 14.557 -10.993 79 HZ2 LYS 9 HZ2 LYS 9 10.309 16.077 -10.583 80 HZ3 LYS 9 HZ3 LYS 9 9.368 14.979 -11.466 81 H ASP 10 H ASP 10 8.506 12.219 -4.326 82 HA ASP 10 HA ASP 10 7.159 14.634 -3.509 83 HB2 ASP 10 HB2 ASP 10 5.904 13.030 -4.851 84 HB3 ASP 10 HB3 ASP 10 6.149 11.784 -3.630 85 H LYS 11 H LYS 11 6.882 15.314 -1.537 86 HA LYS 11 HA LYS 11 8.165 13.825 0.619 87 HB2 LYS 11 HB2 LYS 11 7.044 16.564 0.986 88 HB3 LYS 11 HB3 LYS 11 8.530 15.871 1.619 89 HG2 LYS 11 HG2 LYS 11 9.647 16.144 -0.458 90 HG3 LYS 11 HG3 LYS 11 8.144 16.558 -1.282 91 HD2 LYS 11 HD2 LYS 11 8.065 18.506 0.455 92 HD3 LYS 11 HD3 LYS 11 9.798 18.195 0.588 93 HE2 LYS 11 HE2 LYS 11 9.426 19.914 -1.062 94 HE3 LYS 11 HE3 LYS 11 9.990 18.447 -1.866 95 HZ1 LYS 11 HZ1 LYS 11 7.725 17.938 -2.496 96 HZ2 LYS 11 HZ2 LYS 11 8.122 19.496 -3.034 97 HZ3 LYS 11 HZ3 LYS 11 7.148 19.294 -1.662 98 H SER 12 H SER 12 5.184 13.914 -0.632 99 HA SER 12 HA SER 12 3.675 14.269 1.828 100 HB2 SER 12 HB2 SER 12 2.513 13.434 -0.819 101 HB3 SER 12 HB3 SER 12 1.772 14.395 0.461 102 HG SER 12 HG SER 12 3.589 15.142 -1.539 103 H LYS 13 H LYS 13 5.131 11.752 0.085 104 HA LYS 13 HA LYS 13 3.256 9.706 0.946 105 HB2 LYS 13 HB2 LYS 13 5.875 9.442 -0.545 106 HB3 LYS 13 HB3 LYS 13 4.714 8.151 -0.275 107 HG2 LYS 13 HG2 LYS 13 4.226 10.647 -1.887 108 HG3 LYS 13 HG3 LYS 13 4.570 9.045 -2.538 109 HD2 LYS 13 HD2 LYS 13 2.189 9.750 -0.826 110 HD3 LYS 13 HD3 LYS 13 2.165 9.615 -2.585 111 HE2 LYS 13 HE2 LYS 13 2.917 7.256 -2.347 112 HE3 LYS 13 HE3 LYS 13 2.757 7.425 -0.599 113 HZ1 LYS 13 HZ1 LYS 13 0.796 6.404 -1.537 114 HZ2 LYS 13 HZ2 LYS 13 0.571 7.717 -2.590 115 HZ3 LYS 13 HZ3 LYS 13 0.401 7.931 -0.916 116 H VAL 14 H VAL 14 4.306 7.664 1.866 117 HA VAL 14 HA VAL 14 6.258 8.399 3.941 118 HB VAL 14 HB VAL 14 4.183 6.202 4.083 119 HG11 VAL 14 HG11 VAL 14 4.819 6.026 6.408 120 HG12 VAL 14 HG12 VAL 14 5.996 7.324 6.205 121 HG13 VAL 14 HG13 VAL 14 6.221 5.791 5.363 122 HG21 VAL 14 HG21 VAL 14 4.181 8.916 5.401 123 HG22 VAL 14 HG22 VAL 14 3.033 7.616 5.720 124 HG23 VAL 14 HG23 VAL 14 3.091 8.368 4.125 125 H ALA 15 H ALA 15 8.194 7.655 3.296 126 HA ALA 15 HA ALA 15 8.386 5.328 1.577 127 HB1 ALA 15 HB1 ALA 15 9.779 7.279 1.109 128 HB2 ALA 15 HB2 ALA 15 10.776 5.868 1.472 129 HB3 ALA 15 HB3 ALA 15 10.544 7.120 2.691 130 H GLY 16 H GLY 16 8.951 6.203 4.894 131 HA2 GLY 16 HA2 GLY 16 9.449 3.405 5.537 132 HA3 GLY 16 HA3 GLY 16 10.710 4.554 5.970 133 H TYR 17 H TYR 17 9.493 3.050 7.900 134 HA TYR 17 HA TYR 17 7.997 5.119 9.370 135 HB2 TYR 17 HB2 TYR 17 6.847 2.770 8.509 136 HB3 TYR 17 HB3 TYR 17 7.399 2.340 10.121 137 HD1 TYR 17 HD1 TYR 17 5.314 4.758 8.250 138 HD2 TYR 17 HD2 TYR 17 6.240 3.058 12.036 139 HE1 TYR 17 HE1 TYR 17 3.340 5.862 9.218 140 HE2 TYR 17 HE2 TYR 17 4.269 4.150 13.012 141 HH TYR 17 HH TYR 17 2.861 6.209 12.491 142 H ILE 18 H ILE 18 8.782 5.523 11.386 143 HA ILE 18 HA ILE 18 10.990 3.793 12.274 144 HB ILE 18 HB ILE 18 11.686 6.087 11.800 145 HG12 ILE 18 HG12 ILE 18 12.724 6.606 14.008 146 HG13 ILE 18 HG13 ILE 18 11.692 5.380 14.741 147 HG21 ILE 18 HG21 ILE 18 9.600 7.253 12.213 148 HG22 ILE 18 HG22 ILE 18 10.910 7.963 13.156 149 HG23 ILE 18 HG23 ILE 18 9.733 6.909 13.939 150 HD11 ILE 18 HD11 ILE 18 13.772 4.907 12.619 151 HD12 ILE 18 HD12 ILE 18 12.732 3.676 13.333 152 HD13 ILE 18 HD13 ILE 18 13.918 4.516 14.331 153 H GLU 19 H GLU 19 10.713 2.616 14.039 154 HA GLU 19 HA GLU 19 8.670 3.468 15.968 155 HB2 GLU 19 HB2 GLU 19 9.041 0.697 14.837 156 HB3 GLU 19 HB3 GLU 19 8.100 1.032 16.284 157 HG2 GLU 19 HG2 GLU 19 6.761 2.644 14.838 158 HG3 GLU 19 HG3 GLU 19 7.551 1.879 13.460 159 H ILE 20 H ILE 20 9.571 3.852 17.806 160 HA ILE 20 HA ILE 20 11.584 1.985 18.868 161 HB ILE 20 HB ILE 20 11.522 4.967 19.386 162 HG12 ILE 20 HG12 ILE 20 13.538 3.368 17.795 163 HG13 ILE 20 HG13 ILE 20 12.268 4.349 17.075 164 HG21 ILE 20 HG21 ILE 20 13.672 4.559 20.509 165 HG22 ILE 20 HG22 ILE 20 13.474 2.829 20.231 166 HG23 ILE 20 HG23 ILE 20 12.346 3.690 21.278 167 HD11 ILE 20 HD11 ILE 20 14.433 5.480 17.088 168 HD12 ILE 20 HD12 ILE 20 14.467 5.382 18.850 169 HD13 ILE 20 HD13 ILE 20 13.229 6.346 18.041 170 HA PRO 21 HA PRO 21 7.952 1.597 21.539 171 HB2 PRO 21 HB2 PRO 21 9.179 -0.371 23.088 172 HB3 PRO 21 HB3 PRO 21 8.164 -0.651 21.673 173 HG2 PRO 21 HG2 PRO 21 11.130 -0.633 21.906 174 HG3 PRO 21 HG3 PRO 21 10.088 -1.623 20.873 175 HD2 PRO 21 HD2 PRO 21 11.496 0.465 19.915 176 HD3 PRO 21 HD3 PRO 21 9.904 0.022 19.267 177 H ASP 22 H ASP 22 11.294 1.795 22.680 178 HA ASP 22 HA ASP 22 10.701 2.366 25.379 179 HB2 ASP 22 HB2 ASP 22 13.180 3.035 23.786 180 HB3 ASP 22 HB3 ASP 22 13.059 3.038 25.543 181 H ALA 23 H ALA 23 10.506 4.315 22.596 182 HA ALA 23 HA ALA 23 10.380 6.730 24.277 183 HB1 ALA 23 HB1 ALA 23 12.360 6.760 22.843 184 HB2 ALA 23 HB2 ALA 23 11.212 8.032 22.418 185 HB3 ALA 23 HB3 ALA 23 11.327 6.578 21.424 186 H ASP 24 H ASP 24 8.411 4.674 23.029 187 HA ASP 24 HA ASP 24 6.320 4.657 22.123 188 HB2 ASP 24 HB2 ASP 24 6.427 7.436 23.281 189 HB3 ASP 24 HB3 ASP 24 4.978 6.805 22.503 190 H ILE 25 H ILE 25 8.530 5.403 20.362 191 HA ILE 25 HA ILE 25 7.370 7.384 18.568 192 HB ILE 25 HB ILE 25 9.975 5.857 18.390 193 HG12 ILE 25 HG12 ILE 25 9.405 8.748 19.096 194 HG13 ILE 25 HG13 ILE 25 9.857 7.489 20.244 195 HG21 ILE 25 HG21 ILE 25 10.548 7.463 16.605 196 HG22 ILE 25 HG22 ILE 25 8.901 8.089 16.670 197 HG23 ILE 25 HG23 ILE 25 9.191 6.421 16.175 198 HD11 ILE 25 HD11 ILE 25 11.557 8.518 17.982 199 HD12 ILE 25 HD12 ILE 25 12.013 7.260 19.131 200 HD13 ILE 25 HD13 ILE 25 11.744 8.909 19.691 201 H LYS 26 H LYS 26 5.936 6.755 17.127 202 HA LYS 26 HA LYS 26 6.406 4.337 15.564 203 HB2 LYS 26 HB2 LYS 26 3.855 4.916 17.092 204 HB3 LYS 26 HB3 LYS 26 3.935 3.778 15.754 205 HG2 LYS 26 HG2 LYS 26 5.413 2.348 16.958 206 HG3 LYS 26 HG3 LYS 26 5.621 3.548 18.235 207 HD2 LYS 26 HD2 LYS 26 4.096 1.753 18.909 208 HD3 LYS 26 HD3 LYS 26 3.286 3.318 18.864 209 HE2 LYS 26 HE2 LYS 26 1.821 1.703 17.890 210 HE3 LYS 26 HE3 LYS 26 2.434 2.731 16.597 211 HZ1 LYS 26 HZ1 LYS 26 3.257 -0.045 17.246 212 HZ2 LYS 26 HZ2 LYS 26 4.123 0.940 16.172 213 HZ3 LYS 26 HZ3 LYS 26 2.515 0.514 15.830 214 H GLU 27 H GLU 27 7.046 6.438 14.377 215 HA GLU 27 HA GLU 27 4.673 7.697 13.161 216 HB2 GLU 27 HB2 GLU 27 7.285 9.096 13.751 217 HB3 GLU 27 HB3 GLU 27 5.780 9.827 13.217 218 HG2 GLU 27 HG2 GLU 27 6.315 8.561 15.894 219 HG3 GLU 27 HG3 GLU 27 6.135 10.280 15.554 220 HA PRO 28 HA PRO 28 6.541 6.862 9.211 221 HB2 PRO 28 HB2 PRO 28 5.564 8.893 7.723 222 HB3 PRO 28 HB3 PRO 28 4.544 7.571 8.303 223 HG2 PRO 28 HG2 PRO 28 4.899 10.323 9.439 224 HG3 PRO 28 HG3 PRO 28 3.401 9.409 9.171 225 HD2 PRO 28 HD2 PRO 28 4.585 9.561 11.595 226 HD3 PRO 28 HD3 PRO 28 3.692 8.126 11.063 227 H VAL 29 H VAL 29 8.046 7.643 7.625 228 HA VAL 29 HA VAL 29 9.606 9.988 8.496 229 HB VAL 29 HB VAL 29 10.610 7.542 7.017 230 HG11 VAL 29 HG11 VAL 29 11.776 9.547 6.303 231 HG12 VAL 29 HG12 VAL 29 12.838 8.537 7.282 232 HG13 VAL 29 HG13 VAL 29 12.101 9.979 7.981 233 HG21 VAL 29 HG21 VAL 29 11.145 8.474 9.832 234 HG22 VAL 29 HG22 VAL 29 11.910 7.093 9.043 235 HG23 VAL 29 HG23 VAL 29 10.176 7.077 9.365 236 H TYR 30 H TYR 30 10.000 11.531 6.980 237 HA TYR 30 HA TYR 30 8.365 11.280 4.582 238 HB2 TYR 30 HB2 TYR 30 9.692 13.706 5.799 239 HB3 TYR 30 HB3 TYR 30 8.625 13.721 4.397 240 HD1 TYR 30 HD1 TYR 30 6.416 12.057 5.078 241 HD2 TYR 30 HD2 TYR 30 8.624 14.675 7.606 242 HE1 TYR 30 HE1 TYR 30 4.467 12.260 6.556 243 HE2 TYR 30 HE2 TYR 30 6.673 14.895 9.088 244 HH TYR 30 HH TYR 30 3.955 12.844 8.853 245 HA PRO 31 HA PRO 31 12.066 10.572 2.170 246 HB2 PRO 31 HB2 PRO 31 10.702 10.357 -0.187 247 HB3 PRO 31 HB3 PRO 31 10.882 9.027 0.962 248 HG2 PRO 31 HG2 PRO 31 8.570 10.879 0.549 249 HG3 PRO 31 HG3 PRO 31 8.567 9.131 0.847 250 HD2 PRO 31 HD2 PRO 31 8.037 10.924 2.797 251 HD3 PRO 31 HD3 PRO 31 8.862 9.384 3.127 252 H GLY 32 H GLY 32 13.268 11.863 0.819 253 HA2 GLY 32 HA2 GLY 32 13.013 13.624 -1.005 254 HA3 GLY 32 HA3 GLY 32 12.123 14.508 0.229 255 HA PRO 33 HA PRO 33 16.717 15.390 0.665 256 HB2 PRO 33 HB2 PRO 33 16.305 18.002 -0.519 257 HB3 PRO 33 HB3 PRO 33 17.380 16.707 -1.053 258 HG2 PRO 33 HG2 PRO 33 15.181 17.490 -2.456 259 HG3 PRO 33 HG3 PRO 33 15.831 15.842 -2.505 260 HD2 PRO 33 HD2 PRO 33 13.522 16.918 -0.922 261 HD3 PRO 33 HD3 PRO 33 13.648 15.395 -1.831 262 H ALA 34 H ALA 34 17.647 17.168 1.947 263 HA ALA 34 HA ALA 34 16.003 17.743 4.176 264 HB1 ALA 34 HB1 ALA 34 18.364 17.398 4.476 265 HB2 ALA 34 HB2 ALA 34 17.978 19.048 4.961 266 HB3 ALA 34 HB3 ALA 34 18.741 18.744 3.405 267 H THR 35 H THR 35 14.409 19.191 4.079 268 HA THR 35 HA THR 35 15.070 21.872 3.074 269 HB THR 35 HB THR 35 12.632 22.101 2.460 270 HG1 THR 35 HG1 THR 35 12.532 19.283 2.357 271 HG21 THR 35 HG21 THR 35 12.868 20.850 0.339 272 HG22 THR 35 HG22 THR 35 14.283 20.032 1.008 273 HG23 THR 35 HG23 THR 35 14.310 21.777 0.750 274 HA PRO 36 HA PRO 36 14.294 23.417 7.109 275 HB2 PRO 36 HB2 PRO 36 12.812 25.681 6.302 276 HB3 PRO 36 HB3 PRO 36 14.548 25.599 6.600 277 HG2 PRO 36 HG2 PRO 36 13.057 25.456 4.033 278 HG3 PRO 36 HG3 PRO 36 14.665 26.125 4.368 279 HD2 PRO 36 HD2 PRO 36 14.370 23.781 3.110 280 HD3 PRO 36 HD3 PRO 36 15.684 24.042 4.280 281 H GLU 37 H GLU 37 11.489 23.679 4.910 282 HA GLU 37 HA GLU 37 9.567 23.825 6.985 283 HB2 GLU 37 HB2 GLU 37 9.135 24.579 4.678 284 HB3 GLU 37 HB3 GLU 37 9.219 22.913 4.124 285 HG2 GLU 37 HG2 GLU 37 7.279 22.380 5.549 286 HG3 GLU 37 HG3 GLU 37 7.169 24.085 5.989 287 H GLN 38 H GLN 38 10.864 21.148 5.107 288 HA GLN 38 HA GLN 38 8.969 19.243 6.080 289 HB2 GLN 38 HB2 GLN 38 10.206 19.221 3.863 290 HB3 GLN 38 HB3 GLN 38 11.616 18.680 4.757 291 HG2 GLN 38 HG2 GLN 38 10.485 16.671 5.420 292 HG3 GLN 38 HG3 GLN 38 8.984 17.231 4.679 293 HE21 GLN 38 HE21 GLN 38 10.555 14.831 4.123 294 HE22 GLN 38 HE22 GLN 38 10.942 14.901 2.438 295 H LEU 39 H LEU 39 12.260 20.170 6.901 296 HA LEU 39 HA LEU 39 12.621 18.004 8.767 297 HB2 LEU 39 HB2 LEU 39 14.229 20.531 8.393 298 HB3 LEU 39 HB3 LEU 39 14.708 19.157 9.365 299 HG LEU 39 HG LEU 39 14.356 19.143 6.368 300 HD11 LEU 39 HD11 LEU 39 16.815 19.136 8.111 301 HD12 LEU 39 HD12 LEU 39 16.290 20.428 7.028 302 HD13 LEU 39 HD13 LEU 39 16.808 18.876 6.368 303 HD21 LEU 39 HD21 LEU 39 15.316 16.916 6.466 304 HD22 LEU 39 HD22 LEU 39 13.837 16.985 7.426 305 HD23 LEU 39 HD23 LEU 39 15.407 17.012 8.224 306 H ASN 40 H ASN 40 11.033 20.977 8.898 307 HA ASN 40 HA ASN 40 11.369 21.189 11.798 308 HB2 ASN 40 HB2 ASN 40 11.590 23.254 10.452 309 HB3 ASN 40 HB3 ASN 40 9.936 23.049 9.886 310 HD21 ASN 40 HD21 ASN 40 8.253 23.595 11.204 311 HD22 ASN 40 HD22 ASN 40 8.459 24.382 12.736 312 H ARG 41 H ARG 41 9.172 20.109 9.391 313 HA ARG 41 HA ARG 41 6.931 20.056 11.232 314 HB2 ARG 41 HB2 ARG 41 5.608 19.249 9.444 315 HB3 ARG 41 HB3 ARG 41 6.627 20.511 8.786 316 HG2 ARG 41 HG2 ARG 41 8.087 18.821 7.805 317 HG3 ARG 41 HG3 ARG 41 7.061 17.550 8.478 318 HD2 ARG 41 HD2 ARG 41 5.155 18.452 7.202 319 HD3 ARG 41 HD3 ARG 41 6.224 19.656 6.489 320 HE ARG 41 HE ARG 41 7.042 16.911 6.091 321 HH11 ARG 41 HH11 ARG 41 5.235 19.636 4.851 322 HH12 ARG 41 HH12 ARG 41 5.228 19.057 3.214 323 HH21 ARG 41 HH21 ARG 41 6.996 16.112 3.926 324 HH22 ARG 41 HH22 ARG 41 6.200 17.039 2.698 325 H GLY 42 H GLY 42 9.300 17.920 9.845 326 HA2 GLY 42 HA2 GLY 42 8.856 16.030 11.975 327 HA3 GLY 42 HA3 GLY 42 8.406 15.417 10.393 328 H VAL 43 H VAL 43 9.966 13.876 10.238 329 HA VAL 43 HA VAL 43 12.743 14.831 10.212 330 HB VAL 43 HB VAL 43 12.216 13.160 11.974 331 HG11 VAL 43 HG11 VAL 43 10.530 11.866 10.848 332 HG12 VAL 43 HG12 VAL 43 11.859 10.822 11.351 333 HG13 VAL 43 HG13 VAL 43 11.711 11.313 9.663 334 HG21 VAL 43 HG21 VAL 43 14.154 12.293 9.864 335 HG22 VAL 43 HG22 VAL 43 14.116 11.678 11.514 336 HG23 VAL 43 HG23 VAL 43 14.469 13.380 11.214 337 H SER 44 H SER 44 13.981 14.386 8.436 338 HA SER 44 HA SER 44 12.892 12.763 6.281 339 HB2 SER 44 HB2 SER 44 13.413 15.726 5.972 340 HB3 SER 44 HB3 SER 44 13.050 14.627 4.644 341 HG SER 44 HG SER 44 11.249 14.378 6.650 342 H PHE 45 H PHE 45 14.411 12.442 4.536 343 HA PHE 45 HA PHE 45 17.039 11.990 5.479 344 HB2 PHE 45 HB2 PHE 45 15.948 11.905 2.658 345 HB3 PHE 45 HB3 PHE 45 17.523 11.288 3.150 346 HD1 PHE 45 HD1 PHE 45 17.631 9.359 4.742 347 HD2 PHE 45 HD2 PHE 45 13.993 10.634 2.938 348 HE1 PHE 45 HE1 PHE 45 16.602 7.193 5.297 349 HE2 PHE 45 HE2 PHE 45 12.956 8.472 3.488 350 HZ PHE 45 HZ PHE 45 14.262 6.747 4.670 351 H ALA 46 H ALA 46 19.020 12.805 4.469 352 HA ALA 46 HA ALA 46 18.780 15.708 4.160 353 HB1 ALA 46 HB1 ALA 46 20.206 14.913 5.973 354 HB2 ALA 46 HB2 ALA 46 21.139 15.801 4.769 355 HB3 ALA 46 HB3 ALA 46 21.205 14.040 4.810 356 H GLU 47 H GLU 47 20.329 12.899 2.655 357 HA GLU 47 HA GLU 47 21.299 14.628 0.504 358 HB2 GLU 47 HB2 GLU 47 22.235 12.194 1.766 359 HB3 GLU 47 HB3 GLU 47 22.186 12.037 0.013 360 HG2 GLU 47 HG2 GLU 47 23.536 14.294 1.474 361 HG3 GLU 47 HG3 GLU 47 24.354 12.837 0.909 362 H GLU 48 H GLU 48 20.809 14.362 -1.596 363 HA GLU 48 HA GLU 48 18.343 12.982 -2.215 364 HB2 GLU 48 HB2 GLU 48 18.793 13.968 -4.524 365 HB3 GLU 48 HB3 GLU 48 18.550 15.118 -3.213 366 HG2 GLU 48 HG2 GLU 48 20.925 15.484 -3.039 367 HG3 GLU 48 HG3 GLU 48 21.235 14.249 -4.258 368 H ASN 49 H ASN 49 21.454 12.034 -1.956 369 HA ASN 49 HA ASN 49 21.214 10.041 -4.110 370 HB2 ASN 49 HB2 ASN 49 23.624 11.461 -3.019 371 HB3 ASN 49 HB3 ASN 49 23.775 9.924 -3.870 372 HD21 ASN 49 HD21 ASN 49 23.318 9.816 -6.051 373 HD22 ASN 49 HD22 ASN 49 23.152 11.232 -7.027 374 H GLU 50 H GLU 50 20.457 10.087 -1.099 375 HA GLU 50 HA GLU 50 21.874 7.603 -0.430 376 HB2 GLU 50 HB2 GLU 50 21.169 7.913 1.871 377 HB3 GLU 50 HB3 GLU 50 22.013 9.342 1.298 378 HG2 GLU 50 HG2 GLU 50 19.875 10.486 0.999 379 HG3 GLU 50 HG3 GLU 50 19.029 9.049 1.576 380 H SER 51 H SER 51 20.769 5.728 -0.084 381 HA SER 51 HA SER 51 17.948 5.763 -0.919 382 HB2 SER 51 HB2 SER 51 19.996 3.595 -1.429 383 HB3 SER 51 HB3 SER 51 18.334 3.620 -2.013 384 HG SER 51 HG SER 51 20.499 5.294 -2.757 385 H LEU 52 H LEU 52 16.546 4.222 0.026 386 HA LEU 52 HA LEU 52 17.135 3.733 2.790 387 HB2 LEU 52 HB2 LEU 52 14.861 2.694 2.827 388 HB3 LEU 52 HB3 LEU 52 14.900 4.351 2.268 389 HG LEU 52 HG LEU 52 14.825 3.388 -0.108 390 HD11 LEU 52 HD11 LEU 52 13.931 0.945 1.416 391 HD12 LEU 52 HD12 LEU 52 15.379 1.077 0.418 392 HD13 LEU 52 HD13 LEU 52 13.783 1.185 -0.326 393 HD21 LEU 52 HD21 LEU 52 12.472 3.038 1.742 394 HD22 LEU 52 HD22 LEU 52 12.390 3.152 -0.017 395 HD23 LEU 52 HD23 LEU 52 12.956 4.529 0.931 396 H ASP 53 H ASP 53 17.860 2.129 0.001 397 HA ASP 53 HA ASP 53 17.980 -0.492 1.331 398 HB2 ASP 53 HB2 ASP 53 16.706 -0.494 -0.749 399 HB3 ASP 53 HB3 ASP 53 18.061 0.225 -1.610 400 H ASP 54 H ASP 54 19.849 2.106 0.971 401 HA ASP 54 HA ASP 54 22.268 0.720 0.093 402 HB2 ASP 54 HB2 ASP 54 21.585 3.123 -0.628 403 HB3 ASP 54 HB3 ASP 54 22.166 3.600 0.964 404 H GLN 55 H GLN 55 24.067 2.332 1.698 405 HA GLN 55 HA GLN 55 23.829 0.751 4.161 406 HB2 GLN 55 HB2 GLN 55 25.874 0.649 2.628 407 HB3 GLN 55 HB3 GLN 55 26.257 2.262 3.216 408 HG2 GLN 55 HG2 GLN 55 26.030 1.162 5.558 409 HG3 GLN 55 HG3 GLN 55 26.272 -0.339 4.666 410 HE21 GLN 55 HE21 GLN 55 27.690 2.783 3.917 411 HE22 GLN 55 HE22 GLN 55 29.328 2.325 4.226 412 H ASN 56 H ASN 56 24.169 4.039 2.971 413 HA ASN 56 HA ASN 56 24.461 5.030 5.705 414 HB2 ASN 56 HB2 ASN 56 25.185 7.103 4.794 415 HB3 ASN 56 HB3 ASN 56 25.980 5.850 3.849 416 HD21 ASN 56 HD21 ASN 56 23.697 8.432 3.836 417 HD22 ASN 56 HD22 ASN 56 23.423 8.470 2.133 418 H ILE 57 H ILE 57 22.913 6.004 6.781 419 HA ILE 57 HA ILE 57 20.532 6.978 5.350 420 HB ILE 57 HB ILE 57 20.656 5.384 7.914 421 HG12 ILE 57 HG12 ILE 57 20.580 4.061 5.858 422 HG13 ILE 57 HG13 ILE 57 19.079 3.894 6.763 423 HG21 ILE 57 HG21 ILE 57 19.164 7.349 8.165 424 HG22 ILE 57 HG22 ILE 57 18.334 5.801 8.297 425 HG23 ILE 57 HG23 ILE 57 18.209 6.745 6.810 426 HD11 ILE 57 HD11 ILE 57 17.983 5.450 5.247 427 HD12 ILE 57 HD12 ILE 57 18.673 4.085 4.371 428 HD13 ILE 57 HD13 ILE 57 19.486 5.650 4.351 429 H SER 58 H SER 58 20.309 9.106 5.664 430 HA SER 58 HA SER 58 21.138 10.209 8.274 431 HB2 SER 58 HB2 SER 58 22.779 10.817 6.518 432 HB3 SER 58 HB3 SER 58 21.481 11.551 5.577 433 HG SER 58 HG SER 58 21.408 13.200 6.924 434 H ILE 59 H ILE 59 19.284 10.693 9.280 435 HA ILE 59 HA ILE 59 17.189 12.052 7.711 436 HB ILE 59 HB ILE 59 16.264 10.641 10.122 437 HG12 ILE 59 HG12 ILE 59 17.148 9.054 7.698 438 HG13 ILE 59 HG13 ILE 59 17.898 8.987 9.289 439 HG21 ILE 59 HG21 ILE 59 15.223 10.425 7.316 440 HG22 ILE 59 HG22 ILE 59 14.919 11.844 8.314 441 HG23 ILE 59 HG23 ILE 59 14.340 10.260 8.836 442 HD11 ILE 59 HD11 ILE 59 16.455 7.077 8.923 443 HD12 ILE 59 HD12 ILE 59 15.086 8.148 8.616 444 HD13 ILE 59 HD13 ILE 59 15.819 8.092 10.219 445 H ALA 60 H ALA 60 16.873 14.067 8.380 446 HA ALA 60 HA ALA 60 17.734 14.797 11.100 447 HB1 ALA 60 HB1 ALA 60 17.878 17.088 10.278 448 HB2 ALA 60 HB2 ALA 60 17.275 16.572 8.704 449 HB3 ALA 60 HB3 ALA 60 18.841 15.999 9.279 450 H GLY 61 H GLY 61 16.347 15.674 12.546 451 HA2 GLY 61 HA2 GLY 61 13.652 16.462 11.668 452 HA3 GLY 61 HA3 GLY 61 13.798 15.200 12.883 453 H HIS 62 H HIS 62 13.800 18.602 12.331 454 HA HIS 62 HA HIS 62 14.855 19.019 15.049 455 HB2 HIS 62 HB2 HIS 62 15.828 21.109 14.378 456 HB3 HIS 62 HB3 HIS 62 16.394 19.846 13.301 457 HD1 HIS 62 HD1 HIS 62 16.525 20.617 10.971 458 HD2 HIS 62 HD2 HIS 62 13.475 22.545 13.034 459 HE1 HIS 62 HE1 HIS 62 15.569 22.290 9.358 460 H THR 63 H THR 63 14.124 20.885 16.193 461 HA THR 63 HA THR 63 12.085 22.596 15.469 462 HB THR 63 HB THR 63 10.650 20.570 15.352 463 HG1 THR 63 HG1 THR 63 9.174 21.947 15.951 464 HG21 THR 63 HG21 THR 63 11.268 20.367 18.294 465 HG22 THR 63 HG22 THR 63 11.757 19.227 17.042 466 HG23 THR 63 HG23 THR 63 10.050 19.424 17.436 467 H PHE 64 H PHE 64 10.882 23.276 17.740 468 HA PHE 64 HA PHE 64 12.774 23.069 19.957 469 HB2 PHE 64 HB2 PHE 64 13.372 25.089 18.521 470 HB3 PHE 64 HB3 PHE 64 11.821 25.774 18.988 471 HD1 PHE 64 HD1 PHE 64 14.973 24.427 20.424 472 HD2 PHE 64 HD2 PHE 64 11.659 27.055 20.913 473 HE1 PHE 64 HE1 PHE 64 16.013 25.359 22.446 474 HE2 PHE 64 HE2 PHE 64 12.694 27.989 22.940 475 HZ PHE 64 HZ PHE 64 14.876 27.140 23.708 476 H ILE 65 H ILE 65 9.768 22.718 18.910 477 HA ILE 65 HA ILE 65 8.379 24.232 20.967 478 HB ILE 65 HB ILE 65 7.080 22.445 18.953 479 HG12 ILE 65 HG12 ILE 65 8.588 24.009 17.760 480 HG13 ILE 65 HG13 ILE 65 6.893 24.361 17.446 481 HG21 ILE 65 HG21 ILE 65 6.121 24.954 20.314 482 HG22 ILE 65 HG22 ILE 65 5.783 23.317 20.875 483 HG23 ILE 65 HG23 ILE 65 5.164 23.859 19.311 484 HD11 ILE 65 HD11 ILE 65 8.195 26.390 17.770 485 HD12 ILE 65 HD12 ILE 65 8.666 25.836 19.378 486 HD13 ILE 65 HD13 ILE 65 6.975 26.203 19.032 487 H ASP 66 H ASP 66 9.912 22.299 22.053 488 HA ASP 66 HA ASP 66 9.846 20.876 23.824 489 HB2 ASP 66 HB2 ASP 66 7.816 22.153 24.454 490 HB3 ASP 66 HB3 ASP 66 6.841 21.000 23.553 491 H ARG 67 H ARG 67 7.936 20.042 21.054 492 HA ARG 67 HA ARG 67 7.555 18.167 19.898 493 HB2 ARG 67 HB2 ARG 67 9.606 16.531 21.268 494 HB3 ARG 67 HB3 ARG 67 9.283 16.716 19.555 495 HG2 ARG 67 HG2 ARG 67 10.510 18.729 19.437 496 HG3 ARG 67 HG3 ARG 67 10.604 18.858 21.194 497 HD2 ARG 67 HD2 ARG 67 12.721 18.098 20.441 498 HD3 ARG 67 HD3 ARG 67 11.914 16.719 21.182 499 HE ARG 67 HE ARG 67 11.574 15.800 19.017 500 HH11 ARG 67 HH11 ARG 67 13.493 18.726 19.073 501 HH12 ARG 67 HH12 ARG 67 14.256 18.410 17.539 502 HH21 ARG 67 HH21 ARG 67 12.563 15.384 16.982 503 HH22 ARG 67 HH22 ARG 67 13.717 16.508 16.339 504 HA PRO 68 HA PRO 68 5.407 15.666 22.955 505 HB2 PRO 68 HB2 PRO 68 3.088 17.233 23.127 506 HB3 PRO 68 HB3 PRO 68 4.408 17.219 24.300 507 HG2 PRO 68 HG2 PRO 68 3.672 19.396 22.660 508 HG3 PRO 68 HG3 PRO 68 5.169 19.244 23.591 509 HD2 PRO 68 HD2 PRO 68 4.673 18.659 20.710 510 HD3 PRO 68 HD3 PRO 68 6.086 19.410 21.489 511 H ASN 69 H ASN 69 4.681 17.072 19.935 512 HA ASN 69 HA ASN 69 2.843 14.891 19.289 513 HB2 ASN 69 HB2 ASN 69 2.393 17.826 18.952 514 HB3 ASN 69 HB3 ASN 69 1.788 16.744 17.706 515 HD21 ASN 69 HD21 ASN 69 1.372 17.927 20.910 516 HD22 ASN 69 HD22 ASN 69 -0.074 17.041 21.275 517 H TYR 70 H TYR 70 5.718 15.445 18.870 518 HA TYR 70 HA TYR 70 5.809 15.658 15.939 519 HB2 TYR 70 HB2 TYR 70 7.775 16.124 18.121 520 HB3 TYR 70 HB3 TYR 70 8.402 15.505 16.597 521 HD1 TYR 70 HD1 TYR 70 6.326 18.267 18.009 522 HD2 TYR 70 HD2 TYR 70 8.841 16.947 14.841 523 HE1 TYR 70 HE1 TYR 70 6.324 20.541 17.064 524 HE2 TYR 70 HE2 TYR 70 8.842 19.209 13.886 525 HH TYR 70 HH TYR 70 7.721 21.224 13.921 526 H GLN 71 H GLN 71 7.536 14.192 14.932 527 HA GLN 71 HA GLN 71 6.804 11.488 15.444 528 HB2 GLN 71 HB2 GLN 71 8.207 10.903 13.592 529 HB3 GLN 71 HB3 GLN 71 7.328 12.362 13.179 530 HG2 GLN 71 HG2 GLN 71 10.206 12.231 14.052 531 HG3 GLN 71 HG3 GLN 71 9.638 12.407 12.397 532 HE21 GLN 71 HE21 GLN 71 11.377 14.164 13.793 533 HE22 GLN 71 HE22 GLN 71 10.598 15.702 13.882 534 H PHE 72 H PHE 72 9.345 13.531 16.523 535 HA PHE 72 HA PHE 72 10.402 11.265 18.066 536 HB2 PHE 72 HB2 PHE 72 11.951 13.572 16.873 537 HB3 PHE 72 HB3 PHE 72 12.599 12.533 18.138 538 HD1 PHE 72 HD1 PHE 72 12.609 10.002 17.646 539 HD2 PHE 72 HD2 PHE 72 12.244 12.998 14.653 540 HE1 PHE 72 HE1 PHE 72 13.355 8.386 15.951 541 HE2 PHE 72 HE2 PHE 72 12.991 11.389 12.948 542 HZ PHE 72 HZ PHE 72 13.549 9.081 13.596 543 H THR 73 H THR 73 9.133 11.635 19.806 544 HA THR 73 HA THR 73 9.272 14.277 21.078 545 HB THR 73 HB THR 73 7.265 13.465 22.383 546 HG1 THR 73 HG1 THR 73 6.192 11.622 21.216 547 HG21 THR 73 HG21 THR 73 7.012 13.511 19.371 548 HG22 THR 73 HG22 THR 73 6.995 14.916 20.444 549 HG23 THR 73 HG23 THR 73 5.690 13.728 20.518 550 H ASN 74 H ASN 74 8.900 10.906 22.161 551 HA ASN 74 HA ASN 74 10.180 11.568 24.673 552 HB2 ASN 74 HB2 ASN 74 8.096 10.140 24.393 553 HB3 ASN 74 HB3 ASN 74 9.152 8.878 23.791 554 HD21 ASN 74 HD21 ASN 74 8.540 7.544 25.494 555 HD22 ASN 74 HD22 ASN 74 9.174 7.762 27.084 556 H LEU 75 H LEU 75 11.754 11.431 22.126 557 HA LEU 75 HA LEU 75 13.400 9.125 22.152 558 HB2 LEU 75 HB2 LEU 75 13.143 10.707 20.241 559 HB3 LEU 75 HB3 LEU 75 14.103 11.873 21.130 560 HG LEU 75 HG LEU 75 16.025 10.359 21.076 561 HD11 LEU 75 HD11 LEU 75 14.232 8.562 19.447 562 HD12 LEU 75 HD12 LEU 75 14.826 8.235 21.074 563 HD13 LEU 75 HD13 LEU 75 15.958 8.324 19.725 564 HD21 LEU 75 HD21 LEU 75 15.759 11.970 19.290 565 HD22 LEU 75 HD22 LEU 75 14.753 10.835 18.392 566 HD23 LEU 75 HD23 LEU 75 16.459 10.475 18.665 567 H LYS 76 H LYS 76 13.061 11.464 24.388 568 HA LYS 76 HA LYS 76 15.765 11.721 25.311 569 HB2 LYS 76 HB2 LYS 76 14.626 12.791 27.296 570 HB3 LYS 76 HB3 LYS 76 14.296 13.548 25.742 571 HG2 LYS 76 HG2 LYS 76 12.158 12.258 25.650 572 HG3 LYS 76 HG3 LYS 76 12.485 11.713 27.294 573 HD2 LYS 76 HD2 LYS 76 12.387 13.958 28.122 574 HD3 LYS 76 HD3 LYS 76 12.295 14.607 26.483 575 HE2 LYS 76 HE2 LYS 76 10.098 14.608 27.526 576 HE3 LYS 76 HE3 LYS 76 10.144 13.492 26.164 577 HZ1 LYS 76 HZ1 LYS 76 10.166 11.652 27.584 578 HZ2 LYS 76 HZ2 LYS 76 9.029 12.701 28.284 579 HZ3 LYS 76 HZ3 LYS 76 10.587 12.580 28.939 580 H ALA 77 H ALA 77 13.050 9.594 25.910 581 HA ALA 77 HA ALA 77 14.193 8.563 28.379 582 HB1 ALA 77 HB1 ALA 77 12.194 7.220 28.553 583 HB2 ALA 77 HB2 ALA 77 11.727 7.648 26.907 584 HB3 ALA 77 HB3 ALA 77 11.761 8.885 28.164 585 H ALA 78 H ALA 78 14.430 7.865 25.073 586 HA ALA 78 HA ALA 78 14.671 5.046 25.158 587 HB1 ALA 78 HB1 ALA 78 15.856 6.974 23.168 588 HB2 ALA 78 HB2 ALA 78 14.227 6.304 23.096 589 HB3 ALA 78 HB3 ALA 78 15.625 5.241 22.939 590 H LYS 79 H LYS 79 16.395 3.728 25.513 591 HA LYS 79 HA LYS 79 18.727 4.982 26.773 592 HB2 LYS 79 HB2 LYS 79 18.189 2.029 26.715 593 HB3 LYS 79 HB3 LYS 79 19.135 2.945 27.875 594 HG2 LYS 79 HG2 LYS 79 17.340 2.685 29.172 595 HG3 LYS 79 HG3 LYS 79 16.703 4.044 28.246 596 HD2 LYS 79 HD2 LYS 79 15.086 2.189 28.412 597 HD3 LYS 79 HD3 LYS 79 15.553 2.519 26.743 598 HE2 LYS 79 HE2 LYS 79 17.059 0.641 26.737 599 HE3 LYS 79 HE3 LYS 79 16.794 0.368 28.455 600 HZ1 LYS 79 HZ1 LYS 79 14.603 -0.359 28.052 601 HZ2 LYS 79 HZ2 LYS 79 15.562 -1.134 26.894 602 HZ3 LYS 79 HZ3 LYS 79 14.610 0.195 26.448 603 H LYS 80 H LYS 80 20.695 3.276 26.540 604 HA LYS 80 HA LYS 80 21.508 3.540 23.790 605 HB2 LYS 80 HB2 LYS 80 23.695 3.029 24.505 606 HB3 LYS 80 HB3 LYS 80 22.996 3.978 25.807 607 HG2 LYS 80 HG2 LYS 80 23.095 0.970 25.843 608 HG3 LYS 80 HG3 LYS 80 24.380 1.987 26.490 609 HD2 LYS 80 HD2 LYS 80 22.748 3.016 28.035 610 HD3 LYS 80 HD3 LYS 80 21.505 1.926 27.414 611 HE2 LYS 80 HE2 LYS 80 22.756 0.003 28.183 612 HE3 LYS 80 HE3 LYS 80 24.080 1.040 28.709 613 HZ1 LYS 80 HZ1 LYS 80 22.566 2.062 30.318 614 HZ2 LYS 80 HZ2 LYS 80 22.721 0.392 30.575 615 HZ3 LYS 80 HZ3 LYS 80 21.327 1.007 29.836 616 H GLY 81 H GLY 81 19.790 1.241 25.371 617 HA2 GLY 81 HA2 GLY 81 20.755 -0.874 23.550 618 HA3 GLY 81 HA3 GLY 81 20.198 -1.216 25.181 619 H SER 82 H SER 82 18.651 1.138 23.149 620 HA SER 82 HA SER 82 16.175 -0.302 23.356 621 HB2 SER 82 HB2 SER 82 16.618 2.326 21.944 622 HB3 SER 82 HB3 SER 82 15.129 1.705 22.657 623 HG SER 82 HG SER 82 17.205 3.060 23.817 624 H MET 83 H MET 83 15.305 -1.416 21.822 625 HA MET 83 HA MET 83 16.620 -1.835 19.310 626 HB2 MET 83 HB2 MET 83 14.048 -2.874 20.479 627 HB3 MET 83 HB3 MET 83 14.558 -3.262 18.840 628 HG2 MET 83 HG2 MET 83 16.661 -3.684 20.774 629 HG3 MET 83 HG3 MET 83 15.218 -4.630 21.139 630 HE1 MET 83 HE1 MET 83 16.602 -3.502 17.594 631 HE2 MET 83 HE2 MET 83 17.591 -4.903 17.175 632 HE3 MET 83 HE3 MET 83 18.046 -3.870 18.535 633 H VAL 84 H VAL 84 16.549 -0.411 17.804 634 HA VAL 84 HA VAL 84 14.179 1.265 17.435 635 HB VAL 84 HB VAL 84 16.941 1.471 16.216 636 HG11 VAL 84 HG11 VAL 84 16.216 3.677 15.412 637 HG12 VAL 84 HG12 VAL 84 14.586 3.345 16.000 638 HG13 VAL 84 HG13 VAL 84 15.271 2.369 14.700 639 HG21 VAL 84 HG21 VAL 84 15.599 3.098 18.373 640 HG22 VAL 84 HG22 VAL 84 17.179 3.441 17.668 641 HG23 VAL 84 HG23 VAL 84 16.927 1.961 18.595 642 H TYR 85 H TYR 85 12.720 0.601 16.035 643 HA TYR 85 HA TYR 85 13.529 -1.282 13.949 644 HB2 TYR 85 HB2 TYR 85 10.790 -0.565 15.015 645 HB3 TYR 85 HB3 TYR 85 11.090 -1.723 13.720 646 HD1 TYR 85 HD1 TYR 85 12.631 -3.703 14.267 647 HD2 TYR 85 HD2 TYR 85 10.791 -1.279 17.235 648 HE1 TYR 85 HE1 TYR 85 12.962 -5.494 15.924 649 HE2 TYR 85 HE2 TYR 85 11.126 -3.051 18.909 650 HH TYR 85 HH TYR 85 11.475 -5.457 19.006 651 H PHE 86 H PHE 86 13.645 -0.709 11.916 652 HA PHE 86 HA PHE 86 12.344 1.810 11.101 653 HB2 PHE 86 HB2 PHE 86 14.816 2.055 11.264 654 HB3 PHE 86 HB3 PHE 86 14.994 0.760 10.085 655 HD1 PHE 86 HD1 PHE 86 13.115 3.971 10.428 656 HD2 PHE 86 HD2 PHE 86 15.398 1.394 7.924 657 HE1 PHE 86 HE1 PHE 86 12.964 5.615 8.599 658 HE2 PHE 86 HE2 PHE 86 15.249 3.029 6.093 659 HZ PHE 86 HZ PHE 86 14.029 5.144 6.429 660 H LYS 87 H LYS 87 10.738 1.340 9.800 661 HA LYS 87 HA LYS 87 10.851 -1.134 8.239 662 HB2 LYS 87 HB2 LYS 87 8.496 0.640 8.895 663 HB3 LYS 87 HB3 LYS 87 8.433 -0.928 8.113 664 HG2 LYS 87 HG2 LYS 87 9.351 -1.948 10.166 665 HG3 LYS 87 HG3 LYS 87 9.277 -0.362 10.938 666 HD2 LYS 87 HD2 LYS 87 6.963 -1.967 9.862 667 HD3 LYS 87 HD3 LYS 87 7.331 -1.646 11.558 668 HE2 LYS 87 HE2 LYS 87 7.039 0.783 11.090 669 HE3 LYS 87 HE3 LYS 87 6.506 0.364 9.461 670 HZ1 LYS 87 HZ1 LYS 87 4.785 -1.066 10.610 671 HZ2 LYS 87 HZ2 LYS 87 4.563 0.610 10.717 672 HZ3 LYS 87 HZ3 LYS 87 5.194 -0.248 12.041 673 H VAL 88 H VAL 88 10.665 -1.146 6.061 674 HA VAL 88 HA VAL 88 10.059 1.414 4.747 675 HB VAL 88 HB VAL 88 11.180 0.411 2.701 676 HG11 VAL 88 HG11 VAL 88 12.233 2.140 4.052 677 HG12 VAL 88 HG12 VAL 88 13.437 0.984 3.479 678 HG13 VAL 88 HG13 VAL 88 12.869 0.913 5.148 679 HG21 VAL 88 HG21 VAL 88 12.838 -1.356 3.090 680 HG22 VAL 88 HG22 VAL 88 11.204 -1.933 3.410 681 HG23 VAL 88 HG23 VAL 88 12.271 -1.521 4.751 682 H GLY 89 H GLY 89 7.877 1.155 4.807 683 HA2 GLY 89 HA2 GLY 89 5.899 0.608 3.690 684 HA3 GLY 89 HA3 GLY 89 6.753 -0.710 2.889 685 H ASN 90 H ASN 90 7.725 -2.202 4.775 686 HA ASN 90 HA ASN 90 5.900 -2.787 6.897 687 HB2 ASN 90 HB2 ASN 90 4.544 -3.752 5.172 688 HB3 ASN 90 HB3 ASN 90 5.933 -4.562 4.455 689 HD21 ASN 90 HD21 ASN 90 3.803 -4.476 7.239 690 HD22 ASN 90 HD22 ASN 90 4.059 -6.127 7.715 691 H GLU 91 H GLU 91 8.543 -3.711 4.868 692 HA GLU 91 HA GLU 91 9.609 -5.710 6.626 693 HB2 GLU 91 HB2 GLU 91 11.029 -4.218 4.417 694 HB3 GLU 91 HB3 GLU 91 11.489 -5.765 5.107 695 HG2 GLU 91 HG2 GLU 91 9.562 -6.830 4.164 696 HG3 GLU 91 HG3 GLU 91 8.933 -5.283 3.601 697 H THR 92 H THR 92 11.032 -5.416 8.302 698 HA THR 92 HA THR 92 11.987 -2.657 8.673 699 HB THR 92 HB THR 92 10.099 -3.439 10.241 700 HG1 THR 92 HG1 THR 92 11.896 -1.724 10.529 701 HG21 THR 92 HG21 THR 92 10.827 -4.675 12.221 702 HG22 THR 92 HG22 THR 92 12.426 -4.886 11.510 703 HG23 THR 92 HG23 THR 92 11.022 -5.655 10.766 704 H ARG 93 H ARG 93 13.958 -2.333 9.602 705 HA ARG 93 HA ARG 93 15.696 -4.688 9.956 706 HB2 ARG 93 HB2 ARG 93 16.479 -1.851 9.221 707 HB3 ARG 93 HB3 ARG 93 17.581 -3.206 9.411 708 HG2 ARG 93 HG2 ARG 93 15.384 -3.140 7.359 709 HG3 ARG 93 HG3 ARG 93 17.029 -2.584 7.049 710 HD2 ARG 93 HD2 ARG 93 16.304 -5.356 7.986 711 HD3 ARG 93 HD3 ARG 93 16.610 -4.914 6.306 712 HE ARG 93 HE ARG 93 18.838 -4.071 7.618 713 HH11 ARG 93 HH11 ARG 93 17.162 -7.146 7.374 714 HH12 ARG 93 HH12 ARG 93 18.612 -8.078 7.593 715 HH21 ARG 93 HH21 ARG 93 20.732 -5.298 7.874 716 HH22 ARG 93 HH22 ARG 93 20.627 -7.042 7.904 717 H LYS 94 H LYS 94 16.903 -4.767 11.888 718 HA LYS 94 HA LYS 94 15.868 -2.976 13.955 719 HB2 LYS 94 HB2 LYS 94 17.629 -5.316 14.566 720 HB3 LYS 94 HB3 LYS 94 16.388 -4.576 15.561 721 HG2 LYS 94 HG2 LYS 94 15.260 -6.442 15.005 722 HG3 LYS 94 HG3 LYS 94 14.855 -5.496 13.570 723 HD2 LYS 94 HD2 LYS 94 15.593 -7.701 12.905 724 HD3 LYS 94 HD3 LYS 94 16.788 -6.502 12.404 725 HE2 LYS 94 HE2 LYS 94 17.978 -8.357 13.321 726 HE3 LYS 94 HE3 LYS 94 18.079 -7.038 14.491 727 HZ1 LYS 94 HZ1 LYS 94 16.258 -9.385 14.631 728 HZ2 LYS 94 HZ2 LYS 94 16.254 -8.091 15.726 729 HZ3 LYS 94 HZ3 LYS 94 17.618 -9.092 15.603 730 H TYR 95 H TYR 95 17.045 -1.460 14.837 731 HA TYR 95 HA TYR 95 19.980 -1.626 14.637 732 HB2 TYR 95 HB2 TYR 95 18.325 0.909 14.497 733 HB3 TYR 95 HB3 TYR 95 20.074 0.791 14.358 734 HD1 TYR 95 HD1 TYR 95 16.877 0.117 12.676 735 HD2 TYR 95 HD2 TYR 95 21.110 0.163 12.281 736 HE1 TYR 95 HE1 TYR 95 16.648 -0.108 10.236 737 HE2 TYR 95 HE2 TYR 95 20.893 -0.057 9.842 738 HH TYR 95 HH TYR 95 18.027 0.444 8.195 739 H LYS 96 H LYS 96 21.101 -0.885 16.510 740 HA LYS 96 HA LYS 96 19.318 -0.373 18.796 741 HB2 LYS 96 HB2 LYS 96 20.704 -2.448 18.973 742 HB3 LYS 96 HB3 LYS 96 22.147 -1.441 18.916 743 HG2 LYS 96 HG2 LYS 96 21.517 -0.341 20.960 744 HG3 LYS 96 HG3 LYS 96 19.987 -1.209 20.998 745 HD2 LYS 96 HD2 LYS 96 22.715 -2.478 21.179 746 HD3 LYS 96 HD3 LYS 96 21.657 -2.142 22.548 747 HE2 LYS 96 HE2 LYS 96 19.921 -3.568 21.325 748 HE3 LYS 96 HE3 LYS 96 21.259 -4.105 20.309 749 HZ1 LYS 96 HZ1 LYS 96 22.401 -4.668 22.505 750 HZ2 LYS 96 HZ2 LYS 96 21.144 -5.684 21.993 751 HZ3 LYS 96 HZ3 LYS 96 20.858 -4.535 23.201 752 H MET 97 H MET 97 19.912 1.232 20.295 753 HA MET 97 HA MET 97 21.085 3.525 19.001 754 HB2 MET 97 HB2 MET 97 20.114 3.339 21.861 755 HB3 MET 97 HB3 MET 97 20.269 4.786 20.871 756 HG2 MET 97 HG2 MET 97 18.498 3.897 19.388 757 HG3 MET 97 HG3 MET 97 18.294 2.550 20.504 758 HE1 MET 97 HE1 MET 97 17.729 6.316 19.805 759 HE2 MET 97 HE2 MET 97 18.889 6.440 21.130 760 HE3 MET 97 HE3 MET 97 17.218 6.947 21.371 761 H THR 98 H THR 98 23.177 2.261 18.902 762 HA THR 98 HA THR 98 24.585 1.715 21.318 763 HB THR 98 HB THR 98 26.465 1.129 19.836 764 HG1 THR 98 HG1 THR 98 26.301 1.471 17.626 765 HG21 THR 98 HG21 THR 98 24.670 -0.509 20.208 766 HG22 THR 98 HG22 THR 98 25.365 -0.664 18.593 767 HG23 THR 98 HG23 THR 98 23.805 0.132 18.808 768 H SER 99 H SER 99 24.576 4.363 19.008 769 HA SER 99 HA SER 99 26.680 5.667 20.599 770 HB2 SER 99 HB2 SER 99 25.993 6.256 17.720 771 HB3 SER 99 HB3 SER 99 27.398 6.817 18.625 772 HG SER 99 HG SER 99 26.877 4.069 18.260 773 H ILE 100 H ILE 100 25.412 6.714 22.054 774 HA ILE 100 HA ILE 100 23.621 8.784 20.962 775 HB ILE 100 HB ILE 100 23.395 7.356 23.618 776 HG12 ILE 100 HG12 ILE 100 21.584 7.367 21.194 777 HG13 ILE 100 HG13 ILE 100 22.584 6.022 21.729 778 HG21 ILE 100 HG21 ILE 100 21.741 9.602 22.476 779 HG22 ILE 100 HG22 ILE 100 22.809 9.689 23.876 780 HG23 ILE 100 HG23 ILE 100 21.351 8.700 23.939 781 HD11 ILE 100 HD11 ILE 100 20.257 5.705 22.341 782 HD12 ILE 100 HD12 ILE 100 20.283 7.214 23.254 783 HD13 ILE 100 HD13 ILE 100 21.277 5.852 23.772 784 H ARG 101 H ARG 101 24.421 10.751 21.207 785 HA ARG 101 HA ARG 101 25.689 11.519 23.695 786 HB2 ARG 101 HB2 ARG 101 27.554 10.713 22.296 787 HB3 ARG 101 HB3 ARG 101 27.086 11.835 21.030 788 HG2 ARG 101 HG2 ARG 101 27.439 13.664 22.756 789 HG3 ARG 101 HG3 ARG 101 28.238 12.428 23.726 790 HD2 ARG 101 HD2 ARG 101 29.012 13.246 20.929 791 HD3 ARG 101 HD3 ARG 101 29.836 13.741 22.406 792 HE ARG 101 HE ARG 101 29.883 11.010 22.483 793 HH11 ARG 101 HH11 ARG 101 30.940 13.455 20.213 794 HH12 ARG 101 HH12 ARG 101 32.254 12.500 19.588 795 HH21 ARG 101 HH21 ARG 101 31.608 9.746 21.684 796 HH22 ARG 101 HH22 ARG 101 32.626 10.377 20.428 797 H ASP 102 H ASP 102 25.631 13.752 24.029 798 HA ASP 102 HA ASP 102 24.133 15.263 21.999 799 HB2 ASP 102 HB2 ASP 102 23.253 16.677 23.657 800 HB3 ASP 102 HB3 ASP 102 23.172 15.079 24.384 801 H VAL 103 H VAL 103 25.114 16.885 20.999 802 HA VAL 103 HA VAL 103 27.763 17.678 21.999 803 HB VAL 103 HB VAL 103 28.035 16.269 20.038 804 HG11 VAL 103 HG11 VAL 103 27.121 16.836 17.867 805 HG12 VAL 103 HG12 VAL 103 26.306 18.240 18.556 806 HG13 VAL 103 HG13 VAL 103 25.821 16.614 19.041 807 HG21 VAL 103 HG21 VAL 103 28.535 19.168 19.381 808 HG22 VAL 103 HG22 VAL 103 29.307 17.788 18.600 809 HG23 VAL 103 HG23 VAL 103 29.599 18.114 20.310 810 H LYS 104 H LYS 104 27.992 19.804 22.348 811 HA LYS 104 HA LYS 104 26.247 21.623 20.881 812 HB2 LYS 104 HB2 LYS 104 26.324 22.853 23.325 813 HB3 LYS 104 HB3 LYS 104 24.975 21.931 22.687 814 HG2 LYS 104 HG2 LYS 104 25.368 21.209 24.917 815 HG3 LYS 104 HG3 LYS 104 25.901 19.916 23.843 816 HD2 LYS 104 HD2 LYS 104 28.184 20.444 24.200 817 HD3 LYS 104 HD3 LYS 104 27.778 21.973 24.983 818 HE2 LYS 104 HE2 LYS 104 28.438 20.337 26.647 819 HE3 LYS 104 HE3 LYS 104 26.732 20.737 26.829 820 HZ1 LYS 104 HZ1 LYS 104 27.845 18.291 25.559 821 HZ2 LYS 104 HZ2 LYS 104 26.195 18.681 25.604 822 HZ3 LYS 104 HZ3 LYS 104 27.034 18.381 27.042 823 HA PRO 105 HA PRO 105 30.279 23.697 20.938 824 HB2 PRO 105 HB2 PRO 105 31.022 23.303 18.404 825 HB3 PRO 105 HB3 PRO 105 31.250 22.038 19.618 826 HG2 PRO 105 HG2 PRO 105 29.277 22.208 17.418 827 HG3 PRO 105 HG3 PRO 105 29.960 20.779 18.208 828 HD2 PRO 105 HD2 PRO 105 27.436 22.046 18.720 829 HD3 PRO 105 HD3 PRO 105 28.130 20.630 19.536 830 H THR 106 H THR 106 30.885 25.614 19.569 831 HA THR 106 HA THR 106 28.657 27.270 19.068 832 HB THR 106 HB THR 106 30.627 28.387 19.718 833 HG1 THR 106 HG1 THR 106 30.610 28.900 16.918 834 HG21 THR 106 HG21 THR 106 32.750 28.284 18.508 835 HG22 THR 106 HG22 THR 106 32.057 27.122 17.377 836 HG23 THR 106 HG23 THR 106 32.264 26.686 19.074 837 H ASP 107 H ASP 107 30.979 25.722 16.849 838 HA ASP 107 HA ASP 107 28.941 25.882 14.743 839 HB2 ASP 107 HB2 ASP 107 31.892 26.441 14.343 840 HB3 ASP 107 HB3 ASP 107 30.662 26.427 13.086 841 H VAL 108 H VAL 108 28.486 23.873 14.127 842 HA VAL 108 HA VAL 108 30.071 21.612 14.483 843 HB VAL 108 HB VAL 108 27.529 22.140 13.652 844 HG11 VAL 108 HG11 VAL 108 27.203 21.160 11.448 845 HG12 VAL 108 HG12 VAL 108 28.950 21.048 11.236 846 HG13 VAL 108 HG13 VAL 108 28.179 22.629 11.369 847 HG21 VAL 108 HG21 VAL 108 27.303 19.716 13.412 848 HG22 VAL 108 HG22 VAL 108 28.222 20.202 14.835 849 HG23 VAL 108 HG23 VAL 108 29.061 19.577 13.417 850 H GLU 109 H GLU 109 31.331 20.422 12.892 851 HA GLU 109 HA GLU 109 33.124 22.157 11.553 852 HB2 GLU 109 HB2 GLU 109 34.212 20.092 10.707 853 HB3 GLU 109 HB3 GLU 109 33.988 20.110 12.448 854 HG2 GLU 109 HG2 GLU 109 32.006 18.763 10.664 855 HG3 GLU 109 HG3 GLU 109 33.499 17.955 11.139 856 H VAL 110 H VAL 110 30.331 20.487 10.602 857 HA VAL 110 HA VAL 110 29.099 20.328 8.723 858 HB VAL 110 HB VAL 110 28.954 22.727 9.400 859 HG11 VAL 110 HG11 VAL 110 29.945 24.418 7.891 860 HG12 VAL 110 HG12 VAL 110 30.922 23.138 7.166 861 HG13 VAL 110 HG13 VAL 110 31.123 23.546 8.873 862 HG21 VAL 110 HG21 VAL 110 27.408 21.802 7.796 863 HG22 VAL 110 HG22 VAL 110 28.539 22.129 6.481 864 HG23 VAL 110 HG23 VAL 110 27.808 23.467 7.370 865 H LEU 111 H LEU 111 32.023 19.527 8.411 866 HA LEU 111 HA LEU 111 32.451 19.903 5.581 867 HB2 LEU 111 HB2 LEU 111 33.878 18.194 7.615 868 HB3 LEU 111 HB3 LEU 111 34.281 18.177 5.913 869 HG LEU 111 HG LEU 111 35.819 19.691 6.493 870 HD11 LEU 111 HD11 LEU 111 34.318 21.049 5.176 871 HD12 LEU 111 HD12 LEU 111 35.086 22.025 6.429 872 HD13 LEU 111 HD13 LEU 111 33.412 21.498 6.622 873 HD21 LEU 111 HD21 LEU 111 35.778 21.026 8.541 874 HD22 LEU 111 HD22 LEU 111 35.526 19.308 8.855 875 HD23 LEU 111 HD23 LEU 111 34.159 20.422 8.892 876 H ASP 112 H ASP 112 33.034 17.727 4.379 877 HA ASP 112 HA ASP 112 30.546 16.368 4.065 878 HB2 ASP 112 HB2 ASP 112 33.258 15.715 2.891 879 HB3 ASP 112 HB3 ASP 112 31.723 15.039 2.360 880 H GLU 113 H GLU 113 30.066 14.187 4.424 881 HA GLU 113 HA GLU 113 31.757 12.805 6.364 882 HB2 GLU 113 HB2 GLU 113 29.376 12.816 6.858 883 HB3 GLU 113 HB3 GLU 113 29.010 12.150 5.274 884 HG2 GLU 113 HG2 GLU 113 28.827 10.433 6.949 885 HG3 GLU 113 HG3 GLU 113 30.186 10.085 5.885 886 H GLN 114 H GLN 114 32.877 10.962 5.898 887 HA GLN 114 HA GLN 114 33.042 10.277 3.043 888 HB2 GLN 114 HB2 GLN 114 35.027 9.983 5.292 889 HB3 GLN 114 HB3 GLN 114 35.216 9.134 3.770 890 HG2 GLN 114 HG2 GLN 114 36.578 11.051 3.668 891 HG3 GLN 114 HG3 GLN 114 35.191 11.358 2.629 892 HE21 GLN 114 HE21 GLN 114 33.813 13.001 3.111 893 HE22 GLN 114 HE22 GLN 114 34.058 14.112 4.415 894 H LYS 115 H LYS 115 33.593 7.968 2.602 895 HA LYS 115 HA LYS 115 31.776 6.202 3.898 896 HB2 LYS 115 HB2 LYS 115 32.863 4.487 2.406 897 HB3 LYS 115 HB3 LYS 115 32.177 5.874 1.571 898 HG2 LYS 115 HG2 LYS 115 34.387 6.862 1.362 899 HG3 LYS 115 HG3 LYS 115 35.088 5.491 2.224 900 HD2 LYS 115 HD2 LYS 115 33.562 5.285 -0.365 901 HD3 LYS 115 HD3 LYS 115 35.321 5.344 -0.244 902 HE2 LYS 115 HE2 LYS 115 35.280 3.312 1.126 903 HE3 LYS 115 HE3 LYS 115 33.526 3.248 0.971 904 HZ1 LYS 115 HZ1 LYS 115 33.732 2.915 -1.374 905 HZ2 LYS 115 HZ2 LYS 115 34.704 1.774 -0.582 906 HZ3 LYS 115 HZ3 LYS 115 35.415 3.128 -1.314 907 H GLY 116 H GLY 116 32.462 4.097 4.807 908 HA2 GLY 116 HA2 GLY 116 34.397 2.901 5.845 909 HA3 GLY 116 HA3 GLY 116 34.866 4.471 6.491 910 H LYS 117 H LYS 117 31.600 3.194 6.241 911 HA LYS 117 HA LYS 117 31.459 3.000 9.173 912 HB2 LYS 117 HB2 LYS 117 29.497 4.405 7.342 913 HB3 LYS 117 HB3 LYS 117 29.181 4.041 9.033 914 HG2 LYS 117 HG2 LYS 117 31.489 5.732 8.110 915 HG3 LYS 117 HG3 LYS 117 29.912 6.388 8.548 916 HD2 LYS 117 HD2 LYS 117 30.126 5.541 10.795 917 HD3 LYS 117 HD3 LYS 117 31.619 4.701 10.377 918 HE2 LYS 117 HE2 LYS 117 32.018 6.792 11.624 919 HE3 LYS 117 HE3 LYS 117 32.751 6.805 10.021 920 HZ1 LYS 117 HZ1 LYS 117 31.023 8.205 9.213 921 HZ2 LYS 117 HZ2 LYS 117 31.604 8.896 10.640 922 HZ3 LYS 117 HZ3 LYS 117 30.139 8.060 10.645 923 H ASP 118 H ASP 118 28.862 2.256 9.427 924 HA ASP 118 HA ASP 118 28.505 -0.056 7.643 925 HB2 ASP 118 HB2 ASP 118 28.111 0.103 10.639 926 HB3 ASP 118 HB3 ASP 118 27.375 -1.160 9.658 927 H LYS 119 H LYS 119 26.001 -0.842 8.446 928 HA LYS 119 HA LYS 119 24.308 1.199 7.424 929 HB2 LYS 119 HB2 LYS 119 23.696 -1.402 8.828 930 HB3 LYS 119 HB3 LYS 119 22.436 -0.299 8.310 931 HG2 LYS 119 HG2 LYS 119 22.532 -1.857 6.607 932 HG3 LYS 119 HG3 LYS 119 23.484 -0.513 5.981 933 HD2 LYS 119 HD2 LYS 119 25.508 -1.635 6.332 934 HD3 LYS 119 HD3 LYS 119 24.771 -2.806 7.430 935 HE2 LYS 119 HE2 LYS 119 24.168 -2.578 4.486 936 HE3 LYS 119 HE3 LYS 119 25.272 -3.753 5.200 937 HZ1 LYS 119 HZ1 LYS 119 22.502 -3.595 6.183 938 HZ2 LYS 119 HZ2 LYS 119 23.557 -4.920 6.157 939 HZ3 LYS 119 HZ3 LYS 119 22.816 -4.398 4.725 940 H GLN 120 H GLN 120 24.100 3.028 8.547 941 HA GLN 120 HA GLN 120 23.300 2.791 11.366 942 HB2 GLN 120 HB2 GLN 120 24.669 4.633 12.005 943 HB3 GLN 120 HB3 GLN 120 25.700 3.542 11.090 944 HG2 GLN 120 HG2 GLN 120 25.474 4.963 9.123 945 HG3 GLN 120 HG3 GLN 120 24.413 6.044 10.021 946 HE21 GLN 120 HE21 GLN 120 25.672 7.835 9.890 947 HE22 GLN 120 HE22 GLN 120 27.212 7.979 10.658 948 H LEU 121 H LEU 121 21.551 3.972 11.923 949 HA LEU 121 HA LEU 121 20.417 5.766 9.915 950 HB2 LEU 121 HB2 LEU 121 19.252 5.188 12.638 951 HB3 LEU 121 HB3 LEU 121 18.438 5.836 11.227 952 HG LEU 121 HG LEU 121 19.421 3.001 11.540 953 HD11 LEU 121 HD11 LEU 121 17.016 2.473 11.574 954 HD12 LEU 121 HD12 LEU 121 16.656 4.198 11.591 955 HD13 LEU 121 HD13 LEU 121 17.511 3.461 12.946 956 HD21 LEU 121 HD21 LEU 121 17.858 4.305 9.314 957 HD22 LEU 121 HD22 LEU 121 18.210 2.581 9.454 958 HD23 LEU 121 HD23 LEU 121 19.524 3.733 9.216 959 H THR 122 H THR 122 21.569 7.620 9.927 960 HA THR 122 HA THR 122 22.504 8.807 12.371 961 HB THR 122 HB THR 122 22.385 10.219 9.712 962 HG1 THR 122 HG1 THR 122 23.354 8.329 9.144 963 HG21 THR 122 HG21 THR 122 24.471 11.231 10.525 964 HG22 THR 122 HG22 THR 122 24.355 10.276 12.003 965 HG23 THR 122 HG23 THR 122 23.141 11.506 11.650 966 H LEU 123 H LEU 123 20.640 9.160 13.577 967 HA LEU 123 HA LEU 123 18.637 10.971 12.466 968 HB2 LEU 123 HB2 LEU 123 18.706 9.200 14.889 969 HB3 LEU 123 HB3 LEU 123 17.519 10.485 14.746 970 HG LEU 123 HG LEU 123 17.856 8.248 12.746 971 HD11 LEU 123 HD11 LEU 123 15.765 7.371 13.662 972 HD12 LEU 123 HD12 LEU 123 15.791 8.616 14.910 973 HD13 LEU 123 HD13 LEU 123 17.049 7.380 14.870 974 HD21 LEU 123 HD21 LEU 123 15.717 9.053 11.882 975 HD22 LEU 123 HD22 LEU 123 16.965 10.298 11.795 976 HD23 LEU 123 HD23 LEU 123 15.740 10.365 13.060 977 H ILE 124 H ILE 124 19.380 12.955 12.504 978 HA ILE 124 HA ILE 124 20.733 13.947 14.902 979 HB ILE 124 HB ILE 124 20.490 15.221 12.169 980 HG12 ILE 124 HG12 ILE 124 22.861 13.853 13.458 981 HG13 ILE 124 HG13 ILE 124 21.810 13.093 12.268 982 HG21 ILE 124 HG21 ILE 124 22.248 16.739 12.974 983 HG22 ILE 124 HG22 ILE 124 22.167 15.980 14.564 984 HG23 ILE 124 HG23 ILE 124 20.779 16.871 13.939 985 HD11 ILE 124 HD11 ILE 124 22.460 14.775 10.628 986 HD12 ILE 124 HD12 ILE 124 23.852 13.888 11.251 987 HD13 ILE 124 HD13 ILE 124 23.520 15.524 11.822 988 H THR 125 H THR 125 19.135 14.413 16.306 989 HA THR 125 HA THR 125 16.839 15.954 15.401 990 HB THR 125 HB THR 125 16.127 15.665 17.852 991 HG1 THR 125 HG1 THR 125 18.505 14.859 18.215 992 HG21 THR 125 HG21 THR 125 15.335 13.380 17.446 993 HG22 THR 125 HG22 THR 125 16.480 13.218 16.113 994 HG23 THR 125 HG23 THR 125 15.159 14.381 16.005 995 H CYS 126 H CYS 126 17.773 17.951 14.983 996 HA CYS 126 HA CYS 126 19.185 19.417 16.983 997 HB2 CYS 126 HB2 CYS 126 17.635 20.751 14.787 998 HB3 CYS 126 HB3 CYS 126 19.191 21.199 15.475 999 H ASP 127 H ASP 127 18.102 19.643 18.869 1000 HA ASP 127 HA ASP 127 15.373 20.766 18.761 1001 HB2 ASP 127 HB2 ASP 127 15.665 18.441 19.790 1002 HB3 ASP 127 HB3 ASP 127 16.562 19.233 21.083 1003 H ASP 128 H ASP 128 17.325 22.488 18.413 1004 HA ASP 128 HA ASP 128 17.699 23.825 20.986 1005 HB2 ASP 128 HB2 ASP 128 20.067 24.120 20.567 1006 HB3 ASP 128 HB3 ASP 128 19.674 22.405 20.538 1007 H TYR 129 H TYR 129 16.613 24.091 17.937 1008 HA TYR 129 HA TYR 129 17.937 26.630 17.338 1009 HB2 TYR 129 HB2 TYR 129 17.954 24.783 15.643 1010 HB3 TYR 129 HB3 TYR 129 16.206 24.943 15.523 1011 HD1 TYR 129 HD1 TYR 129 19.418 26.612 14.878 1012 HD2 TYR 129 HD2 TYR 129 15.213 26.718 14.252 1013 HE1 TYR 129 HE1 TYR 129 19.722 28.356 13.176 1014 HE2 TYR 129 HE2 TYR 129 15.505 28.467 12.548 1015 HH TYR 129 HH TYR 129 17.081 30.138 11.866 1016 H ASN 130 H ASN 130 16.871 28.327 18.198 1017 HA ASN 130 HA ASN 130 13.987 28.463 17.570 1018 HB2 ASN 130 HB2 ASN 130 14.482 28.502 20.017 1019 HB3 ASN 130 HB3 ASN 130 15.407 29.981 19.769 1020 HD21 ASN 130 HD21 ASN 130 14.351 31.896 19.638 1021 HD22 ASN 130 HD22 ASN 130 12.624 32.058 19.731 1022 H GLU 131 H GLU 131 13.531 29.774 15.991 1023 HA GLU 131 HA GLU 131 15.660 31.162 14.713 1024 HB2 GLU 131 HB2 GLU 131 13.567 31.811 13.176 1025 HB3 GLU 131 HB3 GLU 131 14.387 30.263 13.086 1026 HG2 GLU 131 HG2 GLU 131 11.999 29.955 13.060 1027 HG3 GLU 131 HG3 GLU 131 12.675 29.280 14.537 1028 H LYS 132 H LYS 132 12.845 32.222 16.547 1029 HA LYS 132 HA LYS 132 12.738 34.893 15.745 1030 HB2 LYS 132 HB2 LYS 132 11.263 33.459 17.435 1031 HB3 LYS 132 HB3 LYS 132 12.301 34.233 18.619 1032 HG2 LYS 132 HG2 LYS 132 10.654 35.731 16.603 1033 HG3 LYS 132 HG3 LYS 132 10.150 35.389 18.259 1034 HD2 LYS 132 HD2 LYS 132 12.716 36.797 17.634 1035 HD3 LYS 132 HD3 LYS 132 11.192 37.675 17.799 1036 HE2 LYS 132 HE2 LYS 132 10.953 36.726 20.071 1037 HE3 LYS 132 HE3 LYS 132 12.520 35.940 19.885 1038 HZ1 LYS 132 HZ1 LYS 132 12.815 37.963 21.096 1039 HZ2 LYS 132 HZ2 LYS 132 11.985 38.862 19.924 1040 HZ3 LYS 132 HZ3 LYS 132 13.493 38.181 19.556 1041 H THR 133 H THR 133 14.545 33.432 18.413 1042 HA THR 133 HA THR 133 15.808 35.978 19.004 1043 HB THR 133 HB THR 133 16.779 34.667 20.943 1044 HG1 THR 133 HG1 THR 133 16.251 32.593 21.165 1045 HG21 THR 133 HG21 THR 133 13.771 34.746 20.623 1046 HG22 THR 133 HG22 THR 133 14.794 36.052 21.225 1047 HG23 THR 133 HG23 THR 133 14.625 34.565 22.157 1048 H GLY 134 H GLY 134 16.486 33.017 17.390 1049 HA2 GLY 134 HA2 GLY 134 18.325 32.399 16.148 1050 HA3 GLY 134 HA3 GLY 134 19.075 33.935 16.566 1051 H VAL 135 H VAL 135 17.876 31.382 18.699 1052 HA VAL 135 HA VAL 135 20.546 31.293 19.889 1053 HB VAL 135 HB VAL 135 18.776 32.010 21.424 1054 HG11 VAL 135 HG11 VAL 135 16.910 30.802 20.462 1055 HG12 VAL 135 HG12 VAL 135 17.074 30.428 22.177 1056 HG13 VAL 135 HG13 VAL 135 17.626 29.271 20.965 1057 HG21 VAL 135 HG21 VAL 135 19.920 29.309 22.104 1058 HG22 VAL 135 HG22 VAL 135 19.275 30.476 23.258 1059 HG23 VAL 135 HG23 VAL 135 20.722 30.864 22.327 1060 H TRP 136 H TRP 136 21.567 29.414 20.294 1061 HA TRP 136 HA TRP 136 20.407 26.956 19.170 1062 HB2 TRP 136 HB2 TRP 136 23.336 27.657 18.952 1063 HB3 TRP 136 HB3 TRP 136 22.450 26.408 18.085 1064 HD1 TRP 136 HD1 TRP 136 20.550 27.447 16.246 1065 HE1 TRP 136 HE1 TRP 136 20.820 29.478 14.676 1066 HE3 TRP 136 HE3 TRP 136 24.418 29.805 18.620 1067 HZ2 TRP 136 HZ2 TRP 136 22.462 31.761 14.472 1068 HZ3 TRP 136 HZ3 TRP 136 25.280 31.903 17.673 1069 HH2 TRP 136 HH2 TRP 136 24.322 32.861 15.642 1070 H GLU 137 H GLU 137 20.263 25.479 20.749 1071 HA GLU 137 HA GLU 137 21.979 25.834 23.103 1072 HB2 GLU 137 HB2 GLU 137 19.325 24.424 22.843 1073 HB3 GLU 137 HB3 GLU 137 20.281 24.488 24.315 1074 HG2 GLU 137 HG2 GLU 137 20.100 26.987 24.191 1075 HG3 GLU 137 HG3 GLU 137 18.921 26.755 22.897 1076 H LYS 138 H LYS 138 20.205 22.900 22.414 1077 HA LYS 138 HA LYS 138 22.740 21.402 22.455 1078 HB2 LYS 138 HB2 LYS 138 20.298 20.509 23.972 1079 HB3 LYS 138 HB3 LYS 138 21.968 20.007 24.189 1080 HG2 LYS 138 HG2 LYS 138 22.529 21.943 25.355 1081 HG3 LYS 138 HG3 LYS 138 21.122 22.824 24.755 1082 HD2 LYS 138 HD2 LYS 138 19.683 21.244 26.053 1083 HD3 LYS 138 HD3 LYS 138 21.153 20.565 26.752 1084 HE2 LYS 138 HE2 LYS 138 20.167 22.185 28.263 1085 HE3 LYS 138 HE3 LYS 138 21.725 22.756 27.676 1086 HZ1 LYS 138 HZ1 LYS 138 19.722 24.364 27.745 1087 HZ2 LYS 138 HZ2 LYS 138 19.252 23.604 26.308 1088 HZ3 LYS 138 HZ3 LYS 138 20.749 24.390 26.402 1089 H ARG 139 H ARG 139 22.761 20.296 20.543 1090 HA ARG 139 HA ARG 139 20.228 19.098 19.677 1091 HB2 ARG 139 HB2 ARG 139 21.196 18.814 17.455 1092 HB3 ARG 139 HB3 ARG 139 21.241 20.494 17.952 1093 HG2 ARG 139 HG2 ARG 139 23.606 18.648 18.119 1094 HG3 ARG 139 HG3 ARG 139 23.253 19.670 16.727 1095 HD2 ARG 139 HD2 ARG 139 23.834 20.568 19.543 1096 HD3 ARG 139 HD3 ARG 139 24.878 20.754 18.139 1097 HE ARG 139 HE ARG 139 22.270 22.029 17.951 1098 HH11 ARG 139 HH11 ARG 139 25.661 22.359 18.765 1099 HH12 ARG 139 HH12 ARG 139 25.666 24.086 18.648 1100 HH21 ARG 139 HH21 ARG 139 22.247 24.307 17.811 1101 HH22 ARG 139 HH22 ARG 139 23.718 25.197 18.100 1102 H LYS 140 H LYS 140 19.944 16.987 19.614 1103 HA LYS 140 HA LYS 140 22.005 15.395 20.936 1104 HB2 LYS 140 HB2 LYS 140 19.731 15.528 21.917 1105 HB3 LYS 140 HB3 LYS 140 19.071 14.815 20.457 1106 HG2 LYS 140 HG2 LYS 140 21.174 13.297 21.894 1107 HG3 LYS 140 HG3 LYS 140 19.577 13.400 22.638 1108 HD2 LYS 140 HD2 LYS 140 18.643 12.620 20.408 1109 HD3 LYS 140 HD3 LYS 140 20.309 12.253 19.948 1110 HE2 LYS 140 HE2 LYS 140 19.249 10.256 20.796 1111 HE3 LYS 140 HE3 LYS 140 20.494 10.784 21.926 1112 HZ1 LYS 140 HZ1 LYS 140 18.555 10.171 23.156 1113 HZ2 LYS 140 HZ2 LYS 140 17.563 11.162 22.209 1114 HZ3 LYS 140 HZ3 LYS 140 18.707 11.857 23.243 1115 H ILE 141 H ILE 141 23.141 13.913 19.894 1116 HA ILE 141 HA ILE 141 22.421 13.244 17.156 1117 HB ILE 141 HB ILE 141 24.953 12.736 18.713 1118 HG12 ILE 141 HG12 ILE 141 24.618 15.110 18.215 1119 HG13 ILE 141 HG13 ILE 141 25.940 14.457 17.254 1120 HG21 ILE 141 HG21 ILE 141 25.926 12.076 16.576 1121 HG22 ILE 141 HG22 ILE 141 24.346 12.255 15.815 1122 HG23 ILE 141 HG23 ILE 141 24.594 11.027 17.054 1123 HD11 ILE 141 HD11 ILE 141 24.458 14.307 15.320 1124 HD12 ILE 141 HD12 ILE 141 24.545 15.954 15.945 1125 HD13 ILE 141 HD13 ILE 141 23.133 14.955 16.286 1126 H PHE 142 H PHE 142 21.715 11.302 16.609 1127 HA PHE 142 HA PHE 142 22.036 9.080 18.490 1128 HB2 PHE 142 HB2 PHE 142 19.789 9.728 18.872 1129 HB3 PHE 142 HB3 PHE 142 19.489 10.008 17.160 1130 HD1 PHE 142 HD1 PHE 142 21.104 7.042 18.701 1131 HD2 PHE 142 HD2 PHE 142 17.666 8.634 16.772 1132 HE1 PHE 142 HE1 PHE 142 20.198 4.776 18.456 1133 HE2 PHE 142 HE2 PHE 142 16.752 6.363 16.523 1134 HZ PHE 142 HZ PHE 142 18.021 4.433 17.365 1135 H VAL 143 H VAL 143 23.324 7.713 17.480 1136 HA VAL 143 HA VAL 143 22.786 7.136 14.641 1137 HB VAL 143 HB VAL 143 25.380 6.753 16.146 1138 HG11 VAL 143 HG11 VAL 143 24.731 6.327 13.234 1139 HG12 VAL 143 HG12 VAL 143 25.077 5.070 14.421 1140 HG13 VAL 143 HG13 VAL 143 26.336 6.213 13.955 1141 HG21 VAL 143 HG21 VAL 143 26.244 8.543 14.705 1142 HG22 VAL 143 HG22 VAL 143 24.938 9.102 15.750 1143 HG23 VAL 143 HG23 VAL 143 24.625 8.778 14.046 1144 H ALA 144 H ALA 144 21.507 5.408 14.612 1145 HA ALA 144 HA ALA 144 21.918 3.231 16.521 1146 HB1 ALA 144 HB1 ALA 144 19.631 3.978 16.136 1147 HB2 ALA 144 HB2 ALA 144 19.840 2.310 15.602 1148 HB3 ALA 144 HB3 ALA 144 19.784 3.617 14.417 1149 H THR 145 H THR 145 23.003 1.457 16.037 1150 HA THR 145 HA THR 145 23.970 1.140 13.285 1151 HB THR 145 HB THR 145 24.926 -0.268 15.790 1152 HG1 THR 145 HG1 THR 145 25.239 2.279 15.040 1153 HG21 THR 145 HG21 THR 145 26.942 -0.705 14.448 1154 HG22 THR 145 HG22 THR 145 26.174 0.060 13.058 1155 HG23 THR 145 HG23 THR 145 25.508 -1.431 13.724 1156 H GLU 146 H GLU 146 23.618 -0.665 12.084 1157 HA GLU 146 HA GLU 146 21.321 -2.203 12.448 1158 HB2 GLU 146 HB2 GLU 146 22.456 -1.811 10.281 1159 HB3 GLU 146 HB3 GLU 146 23.758 -2.874 10.792 1160 HG2 GLU 146 HG2 GLU 146 22.153 -4.731 10.937 1161 HG3 GLU 146 HG3 GLU 146 20.886 -3.654 10.351 1162 H VAL 147 H VAL 147 20.896 -3.819 13.769 1163 HA VAL 147 HA VAL 147 23.091 -5.516 14.701 1164 HB VAL 147 HB VAL 147 22.486 -4.155 16.497 1165 HG11 VAL 147 HG11 VAL 147 20.369 -3.331 15.698 1166 HG12 VAL 147 HG12 VAL 147 20.207 -3.927 17.351 1167 HG13 VAL 147 HG13 VAL 147 19.632 -4.903 15.999 1168 HG21 VAL 147 HG21 VAL 147 21.131 -6.798 16.900 1169 HG22 VAL 147 HG22 VAL 147 21.614 -5.693 18.192 1170 HG23 VAL 147 HG23 VAL 147 22.840 -6.446 17.169 1171 H LYS 148 H LYS 148 22.399 -7.564 15.511 1172 HA LYS 148 HA LYS 148 20.205 -8.710 13.925 1173 HB2 LYS 148 HB2 LYS 148 21.480 -10.837 13.894 1174 HB3 LYS 148 HB3 LYS 148 22.287 -9.531 13.042 1175 HG2 LYS 148 HG2 LYS 148 22.982 -10.013 15.882 1176 HG3 LYS 148 HG3 LYS 148 23.588 -11.136 14.665 1177 HD2 LYS 148 HD2 LYS 148 24.539 -9.184 13.440 1178 HD3 LYS 148 HD3 LYS 148 24.044 -8.156 14.789 1179 HE2 LYS 148 HE2 LYS 148 25.476 -9.371 16.300 1180 HE3 LYS 148 HE3 LYS 148 25.874 -10.539 15.040 1181 HZ1 LYS 148 HZ1 LYS 148 26.895 -8.711 13.775 1182 HZ2 LYS 148 HZ2 LYS 148 27.656 -8.976 15.268 1183 HZ3 LYS 148 HZ3 LYS 148 26.604 -7.659 15.076 1184 H6 2W7 201 H6 2W7 201 20.628 23.055 14.307 1185 H7 2W7 201 H7 2W7 201 22.902 23.738 15.022 1186 H8 2W7 201 H8 2W7 201 24.897 22.703 13.964 1187 H9 2W7 201 H9 2W7 201 24.616 21.002 12.183 1188 H3 2W7 201 H3 2W7 201 23.485 18.775 12.154 1189 H122 2W7 201 H122 2W7 201 22.717 17.106 10.524 1190 H121 2W7 201 H121 2W7 201 22.556 18.421 9.347 1191 H4 2W7 201 H4 2W7 201 24.767 16.340 11.119 1192 HZ12 2W7 201 HZ12 2W7 201 26.658 14.738 11.038 1193 HZ11 2W7 201 HZ11 2W7 201 26.934 15.956 12.299 1194 HY1 2W7 201 HY1 2W7 201 29.001 14.697 11.805 1195 HX22 2W7 201 HX22 2W7 201 30.069 14.928 9.603 1196 HX21 2W7 201 HX21 2W7 201 28.481 14.131 9.470 1197 HY3 2W7 201 HY3 2W7 201 28.750 15.880 7.719 1198 HZ21 2W7 201 HZ21 2W7 201 26.502 15.427 8.658 1199 HZ22 2W7 201 HZ22 2W7 201 26.682 17.130 8.205 1200 HX31 2W7 201 HX31 2W7 201 30.312 17.322 8.969 1201 HX32 2W7 201 HX32 2W7 201 28.910 18.246 8.395 1202 HY2 2W7 201 HY2 2W7 201 29.429 18.800 10.748 1203 HZ32 2W7 201 HZ32 2W7 201 27.086 18.855 9.988 1204 HZ31 2W7 201 HZ31 2W7 201 27.195 18.357 11.686 1205 HX12 2W7 201 HX12 2W7 201 30.456 16.649 11.347 1206 HX11 2W7 201 HX11 2W7 201 29.157 17.070 12.481 Start of MODEL 15 1 HA MET 1 HA MET 1 1.000 -6.177 -5.998 2 HB2 MET 1 HB2 MET 1 -0.602 -4.327 -6.047 3 HB3 MET 1 HB3 MET 1 -1.061 -5.522 -4.843 4 HG2 MET 1 HG2 MET 1 -0.180 -4.105 -3.076 5 HG3 MET 1 HG3 MET 1 0.339 -2.919 -4.272 6 HE1 MET 1 HE1 MET 1 -0.973 -1.038 -2.860 7 HE2 MET 1 HE2 MET 1 -1.476 -2.278 -1.712 8 HE3 MET 1 HE3 MET 1 -2.670 -1.182 -2.408 9 H GLN 2 H GLN 2 3.296 -4.909 -4.129 10 HA GLN 2 HA GLN 2 4.214 -3.194 -6.273 11 HB2 GLN 2 HB2 GLN 2 4.805 -1.339 -4.788 12 HB3 GLN 2 HB3 GLN 2 3.063 -1.578 -4.876 13 HG2 GLN 2 HG2 GLN 2 4.688 -2.749 -2.648 14 HG3 GLN 2 HG3 GLN 2 4.134 -1.078 -2.599 15 HE21 GLN 2 HE21 GLN 2 1.940 -0.648 -2.371 16 HE22 GLN 2 HE22 GLN 2 0.823 -1.859 -1.842 17 H ALA 3 H ALA 3 6.398 -2.227 -5.560 18 HA ALA 3 HA ALA 3 8.038 -4.361 -4.382 19 HB1 ALA 3 HB1 ALA 3 8.604 -3.803 -6.669 20 HB2 ALA 3 HB2 ALA 3 9.891 -3.258 -5.592 21 HB3 ALA 3 HB3 ALA 3 8.731 -2.098 -6.244 22 H LYS 4 H LYS 4 10.178 -3.224 -3.470 23 HA LYS 4 HA LYS 4 9.343 -1.466 -1.356 24 HB2 LYS 4 HB2 LYS 4 12.130 -2.305 -2.174 25 HB3 LYS 4 HB3 LYS 4 11.722 -1.433 -0.705 26 HG2 LYS 4 HG2 LYS 4 10.257 -3.426 -0.113 27 HG3 LYS 4 HG3 LYS 4 11.076 -4.275 -1.427 28 HD2 LYS 4 HD2 LYS 4 12.345 -3.057 1.025 29 HD3 LYS 4 HD3 LYS 4 12.200 -4.774 0.644 30 HE2 LYS 4 HE2 LYS 4 13.677 -4.530 -1.242 31 HE3 LYS 4 HE3 LYS 4 13.733 -2.784 -1.021 32 HZ1 LYS 4 HZ1 LYS 4 14.912 -4.878 0.710 33 HZ2 LYS 4 HZ2 LYS 4 14.709 -3.283 1.229 34 HZ3 LYS 4 HZ3 LYS 4 15.703 -3.612 -0.099 35 HA PRO 5 HA PRO 5 9.957 2.103 -3.994 36 HB2 PRO 5 HB2 PRO 5 8.903 3.917 -2.293 37 HB3 PRO 5 HB3 PRO 5 7.898 2.830 -3.255 38 HG2 PRO 5 HG2 PRO 5 8.683 2.643 -0.380 39 HG3 PRO 5 HG3 PRO 5 7.122 2.288 -1.143 40 HD2 PRO 5 HD2 PRO 5 8.945 0.370 -0.434 41 HD3 PRO 5 HD3 PRO 5 7.761 0.169 -1.739 42 H GLN 6 H GLN 6 11.693 3.391 -4.159 43 HA GLN 6 HA GLN 6 13.512 3.655 -1.912 44 HB2 GLN 6 HB2 GLN 6 13.696 4.749 -4.731 45 HB3 GLN 6 HB3 GLN 6 14.966 4.843 -3.522 46 HG2 GLN 6 HG2 GLN 6 13.885 2.375 -4.846 47 HG3 GLN 6 HG3 GLN 6 15.487 3.086 -5.036 48 HE21 GLN 6 HE21 GLN 6 13.452 1.095 -3.120 49 HE22 GLN 6 HE22 GLN 6 14.658 0.568 -1.998 50 H ILE 7 H ILE 7 14.562 6.170 -2.208 51 HA ILE 7 HA ILE 7 12.443 7.906 -1.285 52 HB ILE 7 HB ILE 7 15.366 8.525 -1.804 53 HG12 ILE 7 HG12 ILE 7 15.145 8.652 0.869 54 HG13 ILE 7 HG13 ILE 7 13.886 7.461 0.556 55 HG21 ILE 7 HG21 ILE 7 13.915 10.509 -1.917 56 HG22 ILE 7 HG22 ILE 7 15.020 10.559 -0.544 57 HG23 ILE 7 HG23 ILE 7 13.325 10.149 -0.293 58 HD11 ILE 7 HD11 ILE 7 16.763 7.248 -0.265 59 HD12 ILE 7 HD12 ILE 7 15.498 6.069 -0.616 60 HD13 ILE 7 HD13 ILE 7 15.972 6.384 1.053 61 HA PRO 8 HA PRO 8 11.978 8.843 -5.642 62 HB2 PRO 8 HB2 PRO 8 9.323 9.094 -5.632 63 HB3 PRO 8 HB3 PRO 8 10.090 7.525 -5.375 64 HG2 PRO 8 HG2 PRO 8 8.739 9.301 -3.428 65 HG3 PRO 8 HG3 PRO 8 8.926 7.540 -3.406 66 HD2 PRO 8 HD2 PRO 8 10.497 9.496 -2.020 67 HD3 PRO 8 HD3 PRO 8 10.712 7.734 -2.033 68 H LYS 9 H LYS 9 10.260 10.513 -6.736 69 HA LYS 9 HA LYS 9 11.068 13.132 -6.000 70 HB2 LYS 9 HB2 LYS 9 10.591 12.286 -8.318 71 HB3 LYS 9 HB3 LYS 9 8.890 12.274 -7.886 72 HG2 LYS 9 HG2 LYS 9 8.862 14.615 -7.600 73 HG3 LYS 9 HG3 LYS 9 10.616 14.705 -7.757 74 HD2 LYS 9 HD2 LYS 9 10.397 13.841 -10.074 75 HD3 LYS 9 HD3 LYS 9 8.642 13.926 -9.898 76 HE2 LYS 9 HE2 LYS 9 9.630 15.880 -11.069 77 HE3 LYS 9 HE3 LYS 9 8.726 16.302 -9.617 78 HZ1 LYS 9 HZ1 LYS 9 10.630 16.839 -8.474 79 HZ2 LYS 9 HZ2 LYS 9 11.036 17.354 -10.038 80 HZ3 LYS 9 HZ3 LYS 9 11.636 15.882 -9.448 81 H ASP 10 H ASP 10 8.420 11.043 -5.314 82 HA ASP 10 HA ASP 10 6.730 13.062 -4.154 83 HB2 ASP 10 HB2 ASP 10 6.679 10.090 -4.340 84 HB3 ASP 10 HB3 ASP 10 5.744 10.850 -3.061 85 H LYS 11 H LYS 11 8.183 14.089 -2.739 86 HA LYS 11 HA LYS 11 9.444 12.504 -0.682 87 HB2 LYS 11 HB2 LYS 11 10.409 14.690 0.054 88 HB3 LYS 11 HB3 LYS 11 10.802 14.229 -1.588 89 HG2 LYS 11 HG2 LYS 11 10.359 16.476 -1.798 90 HG3 LYS 11 HG3 LYS 11 8.806 15.759 -2.225 91 HD2 LYS 11 HD2 LYS 11 7.858 16.305 -0.154 92 HD3 LYS 11 HD3 LYS 11 9.431 16.606 0.584 93 HE2 LYS 11 HE2 LYS 11 8.267 18.695 0.159 94 HE3 LYS 11 HE3 LYS 11 9.720 18.569 -0.833 95 HZ1 LYS 11 HZ1 LYS 11 8.505 18.334 -2.744 96 HZ2 LYS 11 HZ2 LYS 11 7.472 19.352 -1.861 97 HZ3 LYS 11 HZ3 LYS 11 7.149 17.688 -1.957 98 H SER 12 H SER 12 6.422 13.731 -1.051 99 HA SER 12 HA SER 12 6.083 14.359 1.786 100 HB2 SER 12 HB2 SER 12 4.168 14.702 -0.530 101 HB3 SER 12 HB3 SER 12 3.906 15.259 1.121 102 HG SER 12 HG SER 12 6.011 16.421 0.743 103 H LYS 13 H LYS 13 6.099 11.683 -0.016 104 HA LYS 13 HA LYS 13 3.697 10.462 1.089 105 HB2 LYS 13 HB2 LYS 13 5.848 9.291 -0.688 106 HB3 LYS 13 HB3 LYS 13 4.362 8.479 -0.215 107 HG2 LYS 13 HG2 LYS 13 4.484 11.029 -1.808 108 HG3 LYS 13 HG3 LYS 13 4.305 9.417 -2.500 109 HD2 LYS 13 HD2 LYS 13 2.197 9.118 -1.377 110 HD3 LYS 13 HD3 LYS 13 2.400 10.639 -0.506 111 HE2 LYS 13 HE2 LYS 13 0.869 10.944 -2.359 112 HE3 LYS 13 HE3 LYS 13 2.352 11.852 -2.642 113 HZ1 LYS 13 HZ1 LYS 13 3.110 10.057 -4.106 114 HZ2 LYS 13 HZ2 LYS 13 1.654 10.731 -4.643 115 HZ3 LYS 13 HZ3 LYS 13 1.648 9.230 -3.858 116 H VAL 14 H VAL 14 4.107 8.135 1.967 117 HA VAL 14 HA VAL 14 6.120 8.401 4.070 118 HB VAL 14 HB VAL 14 3.921 6.345 3.851 119 HG11 VAL 14 HG11 VAL 14 4.341 6.006 6.248 120 HG12 VAL 14 HG12 VAL 14 5.684 7.146 6.159 121 HG13 VAL 14 HG13 VAL 14 5.751 5.628 5.262 122 HG21 VAL 14 HG21 VAL 14 2.963 8.581 4.006 123 HG22 VAL 14 HG22 VAL 14 3.961 8.920 5.422 124 HG23 VAL 14 HG23 VAL 14 2.706 7.684 5.502 125 H ALA 15 H ALA 15 8.017 7.797 3.082 126 HA ALA 15 HA ALA 15 8.175 5.342 1.568 127 HB1 ALA 15 HB1 ALA 15 10.370 7.198 2.501 128 HB2 ALA 15 HB2 ALA 15 9.576 7.243 0.926 129 HB3 ALA 15 HB3 ALA 15 10.571 5.856 1.374 130 H GLY 16 H GLY 16 8.680 6.411 4.814 131 HA2 GLY 16 HA2 GLY 16 9.262 3.681 5.642 132 HA3 GLY 16 HA3 GLY 16 10.506 4.881 5.982 133 H TYR 17 H TYR 17 9.426 3.543 8.056 134 HA TYR 17 HA TYR 17 7.894 5.659 9.412 135 HB2 TYR 17 HB2 TYR 17 6.810 3.230 8.666 136 HB3 TYR 17 HB3 TYR 17 7.324 2.932 10.322 137 HD1 TYR 17 HD1 TYR 17 5.203 5.057 8.187 138 HD2 TYR 17 HD2 TYR 17 6.106 3.842 12.161 139 HE1 TYR 17 HE1 TYR 17 3.148 6.142 8.979 140 HE2 TYR 17 HE2 TYR 17 4.047 4.928 12.965 141 HH TYR 17 HH TYR 17 1.608 6.040 10.804 142 H ILE 18 H ILE 18 8.747 6.170 11.379 143 HA ILE 18 HA ILE 18 10.910 4.437 12.356 144 HB ILE 18 HB ILE 18 11.640 6.707 11.939 145 HG12 ILE 18 HG12 ILE 18 12.502 7.284 14.210 146 HG13 ILE 18 HG13 ILE 18 11.423 6.068 14.885 147 HG21 ILE 18 HG21 ILE 18 10.755 8.604 13.255 148 HG22 ILE 18 HG22 ILE 18 9.476 7.549 13.855 149 HG23 ILE 18 HG23 ILE 18 9.578 7.921 12.134 150 HD11 ILE 18 HD11 ILE 18 13.651 5.555 12.929 151 HD12 ILE 18 HD12 ILE 18 12.573 4.338 13.613 152 HD13 ILE 18 HD13 ILE 18 13.685 5.220 14.661 153 H GLU 19 H GLU 19 10.667 3.339 14.174 154 HA GLU 19 HA GLU 19 8.405 3.964 15.929 155 HB2 GLU 19 HB2 GLU 19 8.989 1.242 14.745 156 HB3 GLU 19 HB3 GLU 19 7.764 1.581 15.959 157 HG2 GLU 19 HG2 GLU 19 6.622 3.062 14.360 158 HG3 GLU 19 HG3 GLU 19 7.825 2.639 13.143 159 H ILE 20 H ILE 20 9.479 4.440 17.744 160 HA ILE 20 HA ILE 20 11.415 2.442 18.743 161 HB ILE 20 HB ILE 20 11.280 5.365 19.520 162 HG12 ILE 20 HG12 ILE 20 13.290 3.948 17.752 163 HG13 ILE 20 HG13 ILE 20 12.040 5.046 17.180 164 HG21 ILE 20 HG21 ILE 20 13.424 4.923 20.626 165 HG22 ILE 20 HG22 ILE 20 13.302 3.223 20.177 166 HG23 ILE 20 HG23 ILE 20 12.130 3.928 21.289 167 HD11 ILE 20 HD11 ILE 20 13.072 6.863 18.466 168 HD12 ILE 20 HD12 ILE 20 14.174 6.166 17.279 169 HD13 ILE 20 HD13 ILE 20 14.341 5.753 18.986 170 HA PRO 21 HA PRO 21 7.806 1.829 21.448 171 HB2 PRO 21 HB2 PRO 21 8.928 -0.363 22.694 172 HB3 PRO 21 HB3 PRO 21 7.976 -0.429 21.208 173 HG2 PRO 21 HG2 PRO 21 10.947 -0.419 21.558 174 HG3 PRO 21 HG3 PRO 21 9.952 -1.365 20.434 175 HD2 PRO 21 HD2 PRO 21 11.296 0.799 19.615 176 HD3 PRO 21 HD3 PRO 21 9.689 0.412 18.969 177 H ASP 22 H ASP 22 11.201 1.970 22.352 178 HA ASP 22 HA ASP 22 10.782 2.231 25.149 179 HB2 ASP 22 HB2 ASP 22 13.134 2.873 23.374 180 HB3 ASP 22 HB3 ASP 22 13.171 3.146 25.112 181 H ALA 23 H ALA 23 10.244 4.394 22.615 182 HA ALA 23 HA ALA 23 10.147 6.608 24.541 183 HB1 ALA 23 HB1 ALA 23 11.020 8.152 22.903 184 HB2 ALA 23 HB2 ALA 23 11.154 6.855 21.715 185 HB3 ALA 23 HB3 ALA 23 12.165 6.837 23.160 186 H ASP 24 H ASP 24 8.373 4.673 22.687 187 HA ASP 24 HA ASP 24 6.292 4.714 21.786 188 HB2 ASP 24 HB2 ASP 24 6.148 7.255 23.410 189 HB3 ASP 24 HB3 ASP 24 4.771 6.612 22.522 190 H ILE 25 H ILE 25 8.526 5.892 20.346 191 HA ILE 25 HA ILE 25 7.405 8.105 18.831 192 HB ILE 25 HB ILE 25 10.035 6.632 18.559 193 HG12 ILE 25 HG12 ILE 25 9.431 9.370 19.692 194 HG13 ILE 25 HG13 ILE 25 9.781 7.934 20.649 195 HG21 ILE 25 HG21 ILE 25 8.988 9.061 17.118 196 HG22 ILE 25 HG22 ILE 25 9.519 7.526 16.418 197 HG23 ILE 25 HG23 ILE 25 10.694 8.614 17.165 198 HD11 ILE 25 HD11 ILE 25 11.721 9.380 20.472 199 HD12 ILE 25 HD12 ILE 25 11.664 9.261 18.713 200 HD13 ILE 25 HD13 ILE 25 12.015 7.831 19.680 201 H LYS 26 H LYS 26 5.867 7.505 17.387 202 HA LYS 26 HA LYS 26 6.622 5.473 15.417 203 HB2 LYS 26 HB2 LYS 26 3.995 5.556 16.907 204 HB3 LYS 26 HB3 LYS 26 4.238 4.643 15.426 205 HG2 LYS 26 HG2 LYS 26 5.785 3.183 16.467 206 HG3 LYS 26 HG3 LYS 26 5.907 4.218 17.893 207 HD2 LYS 26 HD2 LYS 26 4.525 2.300 18.400 208 HD3 LYS 26 HD3 LYS 26 3.534 3.757 18.394 209 HE2 LYS 26 HE2 LYS 26 2.238 2.210 17.237 210 HE3 LYS 26 HE3 LYS 26 3.007 3.143 15.956 211 HZ1 LYS 26 HZ1 LYS 26 3.966 0.513 16.949 212 HZ2 LYS 26 HZ2 LYS 26 4.612 1.385 15.644 213 HZ3 LYS 26 HZ3 LYS 26 3.047 0.741 15.546 214 H GLU 27 H GLU 27 7.037 7.194 13.994 215 HA GLU 27 HA GLU 27 4.609 8.445 12.914 216 HB2 GLU 27 HB2 GLU 27 7.206 9.925 13.415 217 HB3 GLU 27 HB3 GLU 27 5.794 10.579 12.599 218 HG2 GLU 27 HG2 GLU 27 4.538 10.099 14.767 219 HG3 GLU 27 HG3 GLU 27 6.132 9.896 15.495 220 HA PRO 28 HA PRO 28 6.317 7.311 8.954 221 HB2 PRO 28 HB2 PRO 28 5.321 9.320 7.409 222 HB3 PRO 28 HB3 PRO 28 4.332 7.974 7.990 223 HG2 PRO 28 HG2 PRO 28 4.612 10.744 9.110 224 HG3 PRO 28 HG3 PRO 28 3.136 9.796 8.833 225 HD2 PRO 28 HD2 PRO 28 4.240 9.982 11.274 226 HD3 PRO 28 HD3 PRO 28 3.485 8.478 10.719 227 H VAL 29 H VAL 29 8.025 7.845 7.586 228 HA VAL 29 HA VAL 29 9.486 10.298 8.292 229 HB VAL 29 HB VAL 29 10.534 7.814 6.922 230 HG11 VAL 29 HG11 VAL 29 11.986 10.274 7.891 231 HG12 VAL 29 HG12 VAL 29 11.696 9.836 6.207 232 HG13 VAL 29 HG13 VAL 29 12.740 8.831 7.212 233 HG21 VAL 29 HG21 VAL 29 10.990 8.818 9.725 234 HG22 VAL 29 HG22 VAL 29 11.769 7.414 8.993 235 HG23 VAL 29 HG23 VAL 29 10.027 7.411 9.274 236 H TYR 30 H TYR 30 9.726 11.800 6.815 237 HA TYR 30 HA TYR 30 8.434 11.340 4.238 238 HB2 TYR 30 HB2 TYR 30 9.248 13.914 5.602 239 HB3 TYR 30 HB3 TYR 30 8.417 13.808 4.051 240 HD1 TYR 30 HD1 TYR 30 6.267 12.099 4.241 241 HD2 TYR 30 HD2 TYR 30 7.879 14.493 7.370 242 HE1 TYR 30 HE1 TYR 30 4.099 12.031 5.403 243 HE2 TYR 30 HE2 TYR 30 5.714 14.430 8.536 244 HH TYR 30 HH TYR 30 3.367 14.090 8.029 245 HA PRO 31 HA PRO 31 12.548 10.709 2.584 246 HB2 PRO 31 HB2 PRO 31 11.539 10.599 -0.010 247 HB3 PRO 31 HB3 PRO 31 11.741 9.219 1.075 248 HG2 PRO 31 HG2 PRO 31 9.296 10.822 0.478 249 HG3 PRO 31 HG3 PRO 31 9.458 9.077 0.748 250 HD2 PRO 31 HD2 PRO 31 8.494 10.694 2.651 251 HD3 PRO 31 HD3 PRO 31 9.542 9.318 3.065 252 H GLY 32 H GLY 32 13.975 11.968 1.335 253 HA2 GLY 32 HA2 GLY 32 14.079 13.734 -0.438 254 HA3 GLY 32 HA3 GLY 32 12.910 14.605 0.548 255 HA PRO 33 HA PRO 33 17.050 15.919 1.983 256 HB2 PRO 33 HB2 PRO 33 16.883 18.526 1.270 257 HB3 PRO 33 HB3 PRO 33 17.352 17.255 0.139 258 HG2 PRO 33 HG2 PRO 33 14.888 18.825 0.235 259 HG3 PRO 33 HG3 PRO 33 15.529 17.829 -1.078 260 HD2 PRO 33 HD2 PRO 33 13.488 17.176 0.889 261 HD3 PRO 33 HD3 PRO 33 13.966 16.269 -0.558 262 H ALA 34 H ALA 34 17.663 17.198 3.782 263 HA ALA 34 HA ALA 34 15.573 17.735 5.663 264 HB1 ALA 34 HB1 ALA 34 18.514 18.381 5.817 265 HB2 ALA 34 HB2 ALA 34 17.750 16.899 6.395 266 HB3 ALA 34 HB3 ALA 34 17.367 18.445 7.155 267 H THR 35 H THR 35 14.348 19.440 5.549 268 HA THR 35 HA THR 35 15.468 22.069 5.044 269 HB THR 35 HB THR 35 15.025 21.498 2.796 270 HG1 THR 35 HG1 THR 35 13.651 23.072 2.289 271 HG21 THR 35 HG21 THR 35 13.773 19.445 3.239 272 HG22 THR 35 HG22 THR 35 12.971 20.442 2.020 273 HG23 THR 35 HG23 THR 35 12.355 20.402 3.672 274 HA PRO 36 HA PRO 36 12.532 23.243 8.145 275 HB2 PRO 36 HB2 PRO 36 11.910 25.760 7.126 276 HB3 PRO 36 HB3 PRO 36 13.262 25.392 8.199 277 HG2 PRO 36 HG2 PRO 36 13.229 25.707 5.233 278 HG3 PRO 36 HG3 PRO 36 14.460 26.212 6.406 279 HD2 PRO 36 HD2 PRO 36 14.801 24.044 4.877 280 HD3 PRO 36 HD3 PRO 36 15.362 24.079 6.564 281 H GLU 37 H GLU 37 11.761 23.352 4.743 282 HA GLU 37 HA GLU 37 9.001 23.898 4.936 283 HB2 GLU 37 HB2 GLU 37 10.169 24.058 2.811 284 HB3 GLU 37 HB3 GLU 37 10.548 22.340 2.853 285 HG2 GLU 37 HG2 GLU 37 8.149 21.828 2.729 286 HG3 GLU 37 HG3 GLU 37 7.802 23.553 2.636 287 H GLN 38 H GLN 38 10.770 20.807 4.772 288 HA GLN 38 HA GLN 38 8.269 19.371 5.132 289 HB2 GLN 38 HB2 GLN 38 10.018 18.608 3.500 290 HB3 GLN 38 HB3 GLN 38 11.048 18.216 4.876 291 HG2 GLN 38 HG2 GLN 38 10.011 16.290 5.199 292 HG3 GLN 38 HG3 GLN 38 8.426 17.063 5.184 293 HE21 GLN 38 HE21 GLN 38 10.827 15.402 3.322 294 HE22 GLN 38 HE22 GLN 38 9.832 15.095 1.945 295 H LEU 39 H LEU 39 11.122 20.237 6.936 296 HA LEU 39 HA LEU 39 10.596 18.472 9.129 297 HB2 LEU 39 HB2 LEU 39 12.342 20.925 8.925 298 HB3 LEU 39 HB3 LEU 39 12.275 19.875 10.329 299 HG LEU 39 HG LEU 39 13.217 19.102 7.568 300 HD11 LEU 39 HD11 LEU 39 14.688 19.440 10.173 301 HD12 LEU 39 HD12 LEU 39 14.819 20.475 8.751 302 HD13 LEU 39 HD13 LEU 39 15.381 18.805 8.680 303 HD21 LEU 39 HD21 LEU 39 13.061 17.456 10.089 304 HD22 LEU 39 HD22 LEU 39 13.795 16.953 8.566 305 HD23 LEU 39 HD23 LEU 39 12.059 17.251 8.652 306 H ASN 40 H ASN 40 8.947 21.068 8.021 307 HA ASN 40 HA ASN 40 8.080 22.104 10.577 308 HB2 ASN 40 HB2 ASN 40 8.089 23.437 8.416 309 HB3 ASN 40 HB3 ASN 40 6.740 22.439 7.884 310 HD21 ASN 40 HD21 ASN 40 5.303 24.123 7.757 311 HD22 ASN 40 HD22 ASN 40 4.703 24.951 9.159 312 H ARG 41 H ARG 41 7.428 19.464 8.552 313 HA ARG 41 HA ARG 41 4.766 19.001 9.682 314 HB2 ARG 41 HB2 ARG 41 6.215 17.490 7.501 315 HB3 ARG 41 HB3 ARG 41 4.541 17.266 7.982 316 HG2 ARG 41 HG2 ARG 41 4.064 19.581 7.251 317 HG3 ARG 41 HG3 ARG 41 5.728 19.705 6.675 318 HD2 ARG 41 HD2 ARG 41 5.311 17.742 5.215 319 HD3 ARG 41 HD3 ARG 41 3.627 17.759 5.730 320 HE ARG 41 HE ARG 41 4.904 19.974 4.244 321 HH11 ARG 41 HH11 ARG 41 2.134 17.969 4.996 322 HH12 ARG 41 HH12 ARG 41 1.149 18.629 3.726 323 HH21 ARG 41 HH21 ARG 41 3.629 20.849 2.587 324 HH22 ARG 41 HH22 ARG 41 2.001 20.287 2.355 325 H GLY 42 H GLY 42 7.633 17.000 8.926 326 HA2 GLY 42 HA2 GLY 42 7.491 15.777 11.564 327 HA3 GLY 42 HA3 GLY 42 7.121 14.718 10.211 328 H VAL 43 H VAL 43 8.889 13.390 10.529 329 HA VAL 43 HA VAL 43 11.551 14.577 10.505 330 HB VAL 43 HB VAL 43 11.190 12.823 12.140 331 HG11 VAL 43 HG11 VAL 43 9.399 11.593 11.078 332 HG12 VAL 43 HG12 VAL 43 10.730 10.505 11.473 333 HG13 VAL 43 HG13 VAL 43 10.497 11.046 9.810 334 HG21 VAL 43 HG21 VAL 43 13.412 12.974 11.206 335 HG22 VAL 43 HG22 VAL 43 12.960 11.875 9.902 336 HG23 VAL 43 HG23 VAL 43 13.010 11.295 11.567 337 H SER 44 H SER 44 13.027 14.290 8.871 338 HA SER 44 HA SER 44 12.108 12.885 6.456 339 HB2 SER 44 HB2 SER 44 13.514 15.569 6.483 340 HB3 SER 44 HB3 SER 44 12.901 14.709 5.068 341 HG SER 44 HG SER 44 10.856 14.878 6.628 342 H PHE 45 H PHE 45 14.268 13.145 4.861 343 HA PHE 45 HA PHE 45 16.448 11.990 6.439 344 HB2 PHE 45 HB2 PHE 45 15.944 11.988 3.458 345 HB3 PHE 45 HB3 PHE 45 17.380 11.304 4.219 346 HD1 PHE 45 HD1 PHE 45 16.751 9.690 6.283 347 HD2 PHE 45 HD2 PHE 45 14.293 10.498 2.910 348 HE1 PHE 45 HE1 PHE 45 15.555 7.576 6.662 349 HE2 PHE 45 HE2 PHE 45 13.085 8.385 3.279 350 HZ PHE 45 HZ PHE 45 13.717 6.925 5.167 351 H ALA 46 H ALA 46 18.704 12.545 5.435 352 HA ALA 46 HA ALA 46 18.973 15.395 5.811 353 HB1 ALA 46 HB1 ALA 46 21.359 14.985 5.878 354 HB2 ALA 46 HB2 ALA 46 21.114 13.329 5.322 355 HB3 ALA 46 HB3 ALA 46 20.513 13.825 6.904 356 H GLU 47 H GLU 47 20.421 13.222 3.372 357 HA GLU 47 HA GLU 47 20.485 15.489 1.526 358 HB2 GLU 47 HB2 GLU 47 21.899 12.821 1.465 359 HB3 GLU 47 HB3 GLU 47 22.032 14.037 0.204 360 HG2 GLU 47 HG2 GLU 47 22.803 14.467 3.080 361 HG3 GLU 47 HG3 GLU 47 23.926 14.034 1.790 362 H GLU 48 H GLU 48 20.517 14.257 -0.905 363 HA GLU 48 HA GLU 48 17.829 13.083 -1.077 364 HB2 GLU 48 HB2 GLU 48 17.278 14.712 -2.865 365 HB3 GLU 48 HB3 GLU 48 17.551 15.482 -1.306 366 HG2 GLU 48 HG2 GLU 48 19.835 16.061 -2.018 367 HG3 GLU 48 HG3 GLU 48 19.505 15.343 -3.593 368 H ASN 49 H ASN 49 20.557 11.972 -1.543 369 HA ASN 49 HA ASN 49 20.229 11.303 -4.408 370 HB2 ASN 49 HB2 ASN 49 22.149 12.876 -3.934 371 HB3 ASN 49 HB3 ASN 49 22.896 11.571 -3.018 372 HD21 ASN 49 HD21 ASN 49 21.854 12.621 -6.172 373 HD22 ASN 49 HD22 ASN 49 22.806 11.502 -7.074 374 H GLU 50 H GLU 50 20.100 10.156 -1.357 375 HA GLU 50 HA GLU 50 21.590 7.699 -1.770 376 HB2 GLU 50 HB2 GLU 50 20.078 8.763 0.621 377 HB3 GLU 50 HB3 GLU 50 20.918 7.223 0.599 378 HG2 GLU 50 HG2 GLU 50 22.238 8.932 1.703 379 HG3 GLU 50 HG3 GLU 50 23.038 8.361 0.240 380 H SER 51 H SER 51 20.657 5.616 -1.370 381 HA SER 51 HA SER 51 17.795 5.439 -2.018 382 HB2 SER 51 HB2 SER 51 19.961 3.328 -2.240 383 HB3 SER 51 HB3 SER 51 18.280 3.137 -2.735 384 HG SER 51 HG SER 51 19.058 3.794 -4.590 385 H LEU 52 H LEU 52 16.459 4.075 -0.726 386 HA LEU 52 HA LEU 52 17.406 3.932 2.004 387 HB2 LEU 52 HB2 LEU 52 15.039 3.302 2.527 388 HB3 LEU 52 HB3 LEU 52 15.255 4.882 1.797 389 HG LEU 52 HG LEU 52 14.582 3.831 -0.401 390 HD11 LEU 52 HD11 LEU 52 14.914 1.500 0.106 391 HD12 LEU 52 HD12 LEU 52 13.207 1.789 -0.240 392 HD13 LEU 52 HD13 LEU 52 13.750 1.585 1.425 393 HD21 LEU 52 HD21 LEU 52 12.197 3.956 0.162 394 HD22 LEU 52 HD22 LEU 52 13.123 5.270 0.888 395 HD23 LEU 52 HD23 LEU 52 12.610 3.902 1.877 396 H ASP 53 H ASP 53 17.675 2.000 -0.561 397 HA ASP 53 HA ASP 53 17.531 -0.501 0.961 398 HB2 ASP 53 HB2 ASP 53 16.711 -0.289 -1.456 399 HB3 ASP 53 HB3 ASP 53 18.401 -0.142 -1.918 400 H ASP 54 H ASP 54 19.500 1.990 0.832 401 HA ASP 54 HA ASP 54 22.038 0.558 0.581 402 HB2 ASP 54 HB2 ASP 54 21.720 2.784 -0.531 403 HB3 ASP 54 HB3 ASP 54 21.530 3.509 1.060 404 H GLN 55 H GLN 55 23.710 1.125 2.368 405 HA GLN 55 HA GLN 55 22.328 0.481 4.859 406 HB2 GLN 55 HB2 GLN 55 24.284 -0.567 5.619 407 HB3 GLN 55 HB3 GLN 55 24.160 -1.004 3.927 408 HG2 GLN 55 HG2 GLN 55 25.948 1.166 5.001 409 HG3 GLN 55 HG3 GLN 55 26.456 -0.488 4.681 410 HE21 GLN 55 HE21 GLN 55 25.601 2.554 3.335 411 HE22 GLN 55 HE22 GLN 55 26.082 2.220 1.708 412 H ASN 56 H ASN 56 23.699 3.181 3.416 413 HA ASN 56 HA ASN 56 24.390 4.340 6.038 414 HB2 ASN 56 HB2 ASN 56 26.174 4.420 4.303 415 HB3 ASN 56 HB3 ASN 56 25.112 5.392 3.289 416 HD21 ASN 56 HD21 ASN 56 24.660 7.527 3.893 417 HD22 ASN 56 HD22 ASN 56 25.645 8.375 5.036 418 H ILE 57 H ILE 57 22.360 4.860 6.740 419 HA ILE 57 HA ILE 57 20.782 6.692 5.064 420 HB ILE 57 HB ILE 57 19.988 4.709 7.148 421 HG12 ILE 57 HG12 ILE 57 19.445 5.221 4.241 422 HG13 ILE 57 HG13 ILE 57 20.039 3.757 5.019 423 HG21 ILE 57 HG21 ILE 57 18.380 7.067 6.183 424 HG22 ILE 57 HG22 ILE 57 18.763 6.616 7.848 425 HG23 ILE 57 HG23 ILE 57 17.651 5.629 6.897 426 HD11 ILE 57 HD11 ILE 57 17.261 4.853 5.190 427 HD12 ILE 57 HD12 ILE 57 17.839 3.392 5.988 428 HD13 ILE 57 HD13 ILE 57 17.782 3.472 4.228 429 H SER 58 H SER 58 20.381 8.725 5.759 430 HA SER 58 HA SER 58 21.005 9.354 8.565 431 HB2 SER 58 HB2 SER 58 22.690 10.274 6.952 432 HB3 SER 58 HB3 SER 58 21.398 11.211 6.202 433 HG SER 58 HG SER 58 21.774 11.409 8.974 434 H ILE 59 H ILE 59 19.244 9.926 9.638 435 HA ILE 59 HA ILE 59 16.948 11.013 8.146 436 HB ILE 59 HB ILE 59 16.745 9.822 10.904 437 HG12 ILE 59 HG12 ILE 59 16.557 8.274 8.307 438 HG13 ILE 59 HG13 ILE 59 17.886 8.155 9.456 439 HG21 ILE 59 HG21 ILE 59 14.832 11.071 9.997 440 HG22 ILE 59 HG22 ILE 59 14.453 9.364 10.222 441 HG23 ILE 59 HG23 ILE 59 14.794 9.982 8.605 442 HD11 ILE 59 HD11 ILE 59 16.345 6.297 9.691 443 HD12 ILE 59 HD12 ILE 59 15.018 7.418 9.999 444 HD13 ILE 59 HD13 ILE 59 16.354 7.296 11.144 445 H ALA 60 H ALA 60 16.172 13.000 8.711 446 HA ALA 60 HA ALA 60 17.429 14.309 11.040 447 HB1 ALA 60 HB1 ALA 60 18.264 15.249 8.951 448 HB2 ALA 60 HB2 ALA 60 17.270 16.424 9.811 449 HB3 ALA 60 HB3 ALA 60 16.613 15.565 8.420 450 H GLY 61 H GLY 61 16.049 14.954 12.561 451 HA2 GLY 61 HA2 GLY 61 13.184 15.056 11.843 452 HA3 GLY 61 HA3 GLY 61 13.787 14.545 13.412 453 H HIS 62 H HIS 62 12.100 16.222 14.005 454 HA HIS 62 HA HIS 62 13.442 18.809 14.305 455 HB2 HIS 62 HB2 HIS 62 11.499 20.074 13.641 456 HB3 HIS 62 HB3 HIS 62 11.914 18.969 12.340 457 HD1 HIS 62 HD1 HIS 62 9.039 20.307 13.590 458 HD2 HIS 62 HD2 HIS 62 10.214 16.357 13.072 459 HE1 HIS 62 HE1 HIS 62 6.909 18.981 13.474 460 H THR 63 H THR 63 12.848 19.973 16.146 461 HA THR 63 HA THR 63 10.687 19.135 17.803 462 HB THR 63 HB THR 63 12.266 17.394 18.437 463 HG1 THR 63 HG1 THR 63 12.553 18.870 20.707 464 HG21 THR 63 HG21 THR 63 14.334 18.520 17.861 465 HG22 THR 63 HG22 THR 63 14.381 17.972 19.538 466 HG23 THR 63 HG23 THR 63 14.090 19.672 19.169 467 H PHE 64 H PHE 64 10.174 20.646 19.365 468 HA PHE 64 HA PHE 64 11.672 23.175 19.171 469 HB2 PHE 64 HB2 PHE 64 9.267 23.031 18.270 470 HB3 PHE 64 HB3 PHE 64 8.762 22.892 19.947 471 HD1 PHE 64 HD1 PHE 64 11.108 25.076 18.014 472 HD2 PHE 64 HD2 PHE 64 7.917 24.824 20.820 473 HE1 PHE 64 HE1 PHE 64 11.079 27.531 18.199 474 HE2 PHE 64 HE2 PHE 64 7.887 27.276 21.014 475 HZ PHE 64 HZ PHE 64 9.469 28.633 19.701 476 H ILE 65 H ILE 65 10.307 24.402 21.395 477 HA ILE 65 HA ILE 65 11.730 23.124 23.569 478 HB ILE 65 HB ILE 65 10.123 25.665 23.599 479 HG12 ILE 65 HG12 ILE 65 13.111 25.291 23.321 480 HG13 ILE 65 HG13 ILE 65 12.025 25.744 22.011 481 HG21 ILE 65 HG21 ILE 65 10.402 24.728 25.815 482 HG22 ILE 65 HG22 ILE 65 11.406 26.169 25.642 483 HG23 ILE 65 HG23 ILE 65 12.138 24.566 25.550 484 HD11 ILE 65 HD11 ILE 65 13.210 27.672 22.891 485 HD12 ILE 65 HD12 ILE 65 12.556 27.355 24.498 486 HD13 ILE 65 HD13 ILE 65 11.476 27.812 23.180 487 H ASP 66 H ASP 66 8.461 24.479 23.281 488 HA ASP 66 HA ASP 66 7.523 22.907 25.487 489 HB2 ASP 66 HB2 ASP 66 6.689 25.185 25.224 490 HB3 ASP 66 HB3 ASP 66 6.047 24.791 23.632 491 H ARG 67 H ARG 67 7.875 20.843 24.650 492 HA ARG 67 HA ARG 67 5.544 19.790 23.353 493 HB2 ARG 67 HB2 ARG 67 7.091 18.580 21.606 494 HB3 ARG 67 HB3 ARG 67 6.446 20.180 21.287 495 HG2 ARG 67 HG2 ARG 67 8.652 20.361 20.625 496 HG3 ARG 67 HG3 ARG 67 8.677 21.045 22.247 497 HD2 ARG 67 HD2 ARG 67 9.152 18.190 22.289 498 HD3 ARG 67 HD3 ARG 67 10.306 19.023 21.248 499 HE ARG 67 HE ARG 67 10.002 20.314 23.785 500 HH11 ARG 67 HH11 ARG 67 11.620 17.688 22.121 501 HH12 ARG 67 HH12 ARG 67 12.936 17.605 23.257 502 HH21 ARG 67 HH21 ARG 67 11.737 20.208 25.289 503 HH22 ARG 67 HH22 ARG 67 12.986 19.025 25.055 504 HA PRO 68 HA PRO 68 7.192 16.264 25.616 505 HB2 PRO 68 HB2 PRO 68 4.980 15.771 27.071 506 HB3 PRO 68 HB3 PRO 68 6.114 17.043 27.529 507 HG2 PRO 68 HG2 PRO 68 3.398 17.278 26.424 508 HG3 PRO 68 HG3 PRO 68 4.355 18.472 27.314 509 HD2 PRO 68 HD2 PRO 68 3.968 18.225 24.450 510 HD3 PRO 68 HD3 PRO 68 4.803 19.507 25.351 511 H ASN 69 H ASN 69 4.943 16.809 23.270 512 HA ASN 69 HA ASN 69 4.127 13.987 23.085 513 HB2 ASN 69 HB2 ASN 69 2.667 16.483 22.183 514 HB3 ASN 69 HB3 ASN 69 2.116 14.836 21.915 515 HD21 ASN 69 HD21 ASN 69 1.180 17.260 23.530 516 HD22 ASN 69 HD22 ASN 69 0.803 16.587 25.081 517 H TYR 70 H TYR 70 6.361 15.831 21.975 518 HA TYR 70 HA TYR 70 5.916 15.727 19.121 519 HB2 TYR 70 HB2 TYR 70 7.532 17.228 20.873 520 HB3 TYR 70 HB3 TYR 70 8.645 16.278 19.899 521 HD1 TYR 70 HD1 TYR 70 5.608 18.419 19.464 522 HD2 TYR 70 HD2 TYR 70 9.371 17.185 17.915 523 HE1 TYR 70 HE1 TYR 70 5.390 20.060 17.644 524 HE2 TYR 70 HE2 TYR 70 9.168 18.824 16.099 525 HH TYR 70 HH TYR 70 6.838 21.300 16.096 526 H GLN 71 H GLN 71 7.421 14.604 17.686 527 HA GLN 71 HA GLN 71 7.790 11.924 18.211 528 HB2 GLN 71 HB2 GLN 71 9.444 11.954 16.325 529 HB3 GLN 71 HB3 GLN 71 7.891 12.689 15.954 530 HG2 GLN 71 HG2 GLN 71 8.838 14.897 16.214 531 HG3 GLN 71 HG3 GLN 71 10.387 14.203 16.694 532 HE21 GLN 71 HE21 GLN 71 8.383 12.824 14.189 533 HE22 GLN 71 HE22 GLN 71 9.437 13.228 12.873 534 H PHE 72 H PHE 72 10.072 14.582 18.736 535 HA PHE 72 HA PHE 72 11.808 12.648 20.096 536 HB2 PHE 72 HB2 PHE 72 12.580 15.267 18.796 537 HB3 PHE 72 HB3 PHE 72 13.680 14.200 19.664 538 HD1 PHE 72 HD1 PHE 72 12.773 11.550 18.669 539 HD2 PHE 72 HD2 PHE 72 13.385 15.233 16.617 540 HE1 PHE 72 HE1 PHE 72 13.208 10.317 16.582 541 HE2 PHE 72 HE2 PHE 72 13.818 14.004 14.535 542 HZ PHE 72 HZ PHE 72 13.729 11.547 14.512 543 H THR 73 H THR 73 10.709 12.815 22.054 544 HA THR 73 HA THR 73 11.814 14.960 23.664 545 HB THR 73 HB THR 73 8.877 14.313 24.028 546 HG1 THR 73 HG1 THR 73 10.121 15.977 22.204 547 HG21 THR 73 HG21 THR 73 8.924 16.413 25.304 548 HG22 THR 73 HG22 THR 73 10.660 16.539 25.014 549 HG23 THR 73 HG23 THR 73 10.020 15.203 25.972 550 H ASN 74 H ASN 74 9.983 11.952 23.486 551 HA ASN 74 HA ASN 74 10.694 11.209 26.185 552 HB2 ASN 74 HB2 ASN 74 8.509 10.615 25.003 553 HB3 ASN 74 HB3 ASN 74 9.439 9.436 24.089 554 HD21 ASN 74 HD21 ASN 74 8.202 7.765 24.957 555 HD22 ASN 74 HD22 ASN 74 8.447 7.198 26.575 556 H LEU 75 H LEU 75 12.591 11.564 23.744 557 HA LEU 75 HA LEU 75 13.899 9.078 23.367 558 HB2 LEU 75 HB2 LEU 75 14.588 11.928 22.855 559 HB3 LEU 75 HB3 LEU 75 15.865 10.729 22.788 560 HG LEU 75 HG LEU 75 13.341 10.645 21.134 561 HD11 LEU 75 HD11 LEU 75 14.831 11.204 19.266 562 HD12 LEU 75 HD12 LEU 75 16.151 11.442 20.412 563 HD13 LEU 75 HD13 LEU 75 14.739 12.498 20.461 564 HD21 LEU 75 HD21 LEU 75 14.265 8.434 21.571 565 HD22 LEU 75 HD22 LEU 75 15.854 8.984 21.036 566 HD23 LEU 75 HD23 LEU 75 14.520 8.899 19.889 567 H LYS 76 H LYS 76 13.766 11.164 26.009 568 HA LYS 76 HA LYS 76 16.310 10.527 27.148 569 HB2 LYS 76 HB2 LYS 76 15.332 11.491 29.225 570 HB3 LYS 76 HB3 LYS 76 15.204 12.555 27.834 571 HG2 LYS 76 HG2 LYS 76 12.844 11.651 27.551 572 HG3 LYS 76 HG3 LYS 76 13.038 10.965 29.167 573 HD2 LYS 76 HD2 LYS 76 13.505 13.185 30.062 574 HD3 LYS 76 HD3 LYS 76 13.349 13.877 28.449 575 HE2 LYS 76 HE2 LYS 76 11.296 14.285 29.542 576 HE3 LYS 76 HE3 LYS 76 11.001 12.966 28.409 577 HZ1 LYS 76 HZ1 LYS 76 11.356 12.764 31.349 578 HZ2 LYS 76 HZ2 LYS 76 11.318 11.419 30.322 579 HZ3 LYS 76 HZ3 LYS 76 9.958 12.423 30.453 580 H ALA 77 H ALA 77 13.212 9.025 26.989 581 HA ALA 77 HA ALA 77 13.793 7.089 29.061 582 HB1 ALA 77 HB1 ALA 77 11.488 7.822 28.681 583 HB2 ALA 77 HB2 ALA 77 11.663 6.085 28.440 584 HB3 ALA 77 HB3 ALA 77 11.549 7.161 27.046 585 H ALA 78 H ALA 78 14.521 7.537 25.793 586 HA ALA 78 HA ALA 78 14.777 4.785 25.051 587 HB1 ALA 78 HB1 ALA 78 16.074 7.212 23.819 588 HB2 ALA 78 HB2 ALA 78 14.512 6.538 23.354 589 HB3 ALA 78 HB3 ALA 78 15.988 5.600 23.108 590 H LYS 79 H LYS 79 17.076 4.029 24.325 591 HA LYS 79 HA LYS 79 18.904 4.580 26.555 592 HB2 LYS 79 HB2 LYS 79 18.127 1.830 25.606 593 HB3 LYS 79 HB3 LYS 79 19.206 2.217 26.937 594 HG2 LYS 79 HG2 LYS 79 17.505 2.814 28.337 595 HG3 LYS 79 HG3 LYS 79 16.426 3.267 27.015 596 HD2 LYS 79 HD2 LYS 79 16.157 0.916 26.432 597 HD3 LYS 79 HD3 LYS 79 17.231 0.462 27.757 598 HE2 LYS 79 HE2 LYS 79 14.966 0.152 28.484 599 HE3 LYS 79 HE3 LYS 79 15.630 1.548 29.331 600 HZ1 LYS 79 HZ1 LYS 79 14.510 2.974 27.679 601 HZ2 LYS 79 HZ2 LYS 79 13.425 2.045 28.586 602 HZ3 LYS 79 HZ3 LYS 79 13.798 1.594 26.991 603 H LYS 80 H LYS 80 20.996 3.325 26.186 604 HA LYS 80 HA LYS 80 21.939 3.749 23.488 605 HB2 LYS 80 HB2 LYS 80 24.130 3.298 24.296 606 HB3 LYS 80 HB3 LYS 80 23.338 4.247 25.541 607 HG2 LYS 80 HG2 LYS 80 23.610 1.247 25.629 608 HG3 LYS 80 HG3 LYS 80 24.744 2.366 26.380 609 HD2 LYS 80 HD2 LYS 80 21.817 2.045 27.042 610 HD3 LYS 80 HD3 LYS 80 23.183 1.543 28.033 611 HE2 LYS 80 HE2 LYS 80 22.635 4.396 27.233 612 HE3 LYS 80 HE3 LYS 80 22.108 3.681 28.754 613 HZ1 LYS 80 HZ1 LYS 80 24.431 3.250 29.299 614 HZ2 LYS 80 HZ2 LYS 80 24.153 4.901 29.040 615 HZ3 LYS 80 HZ3 LYS 80 24.926 3.977 27.846 616 H GLY 81 H GLY 81 20.227 1.446 24.955 617 HA2 GLY 81 HA2 GLY 81 20.954 -0.545 22.956 618 HA3 GLY 81 HA3 GLY 81 21.028 -1.041 24.641 619 H SER 82 H SER 82 18.686 1.177 23.209 620 HA SER 82 HA SER 82 16.524 -0.509 24.078 621 HB2 SER 82 HB2 SER 82 15.268 1.502 22.877 622 HB3 SER 82 HB3 SER 82 15.978 1.698 24.478 623 HG SER 82 HG SER 82 16.707 2.827 22.073 624 H MET 83 H MET 83 14.655 -0.084 22.152 625 HA MET 83 HA MET 83 15.814 -1.545 19.872 626 HB2 MET 83 HB2 MET 83 14.289 -2.880 21.334 627 HB3 MET 83 HB3 MET 83 12.992 -1.766 20.925 628 HG2 MET 83 HG2 MET 83 12.576 -3.418 19.426 629 HG3 MET 83 HG3 MET 83 13.645 -2.400 18.467 630 HE1 MET 83 HE1 MET 83 16.133 -2.902 17.988 631 HE2 MET 83 HE2 MET 83 16.978 -4.386 18.415 632 HE3 MET 83 HE3 MET 83 16.628 -3.183 19.658 633 H VAL 84 H VAL 84 15.997 -0.189 18.219 634 HA VAL 84 HA VAL 84 13.826 1.722 17.692 635 HB VAL 84 HB VAL 84 16.609 1.592 16.508 636 HG11 VAL 84 HG11 VAL 84 14.440 3.661 16.173 637 HG12 VAL 84 HG12 VAL 84 15.035 2.557 14.934 638 HG13 VAL 84 HG13 VAL 84 16.093 3.813 15.578 639 HG21 VAL 84 HG21 VAL 84 16.693 2.234 18.837 640 HG22 VAL 84 HG22 VAL 84 15.432 3.441 18.582 641 HG23 VAL 84 HG23 VAL 84 17.013 3.646 17.827 642 H TYR 85 H TYR 85 12.371 1.179 16.202 643 HA TYR 85 HA TYR 85 13.088 -0.855 14.207 644 HB2 TYR 85 HB2 TYR 85 10.410 0.175 15.146 645 HB3 TYR 85 HB3 TYR 85 10.600 -0.890 13.762 646 HD1 TYR 85 HD1 TYR 85 11.894 -3.123 14.241 647 HD2 TYR 85 HD2 TYR 85 10.014 -0.746 17.229 648 HE1 TYR 85 HE1 TYR 85 11.764 -5.087 15.715 649 HE2 TYR 85 HE2 TYR 85 9.882 -2.703 18.712 650 HH TYR 85 HH TYR 85 11.598 -5.553 18.152 651 H PHE 86 H PHE 86 13.449 -0.281 12.179 652 HA PHE 86 HA PHE 86 12.226 2.221 11.211 653 HB2 PHE 86 HB2 PHE 86 14.727 2.254 11.226 654 HB3 PHE 86 HB3 PHE 86 14.715 0.883 10.120 655 HD1 PHE 86 HD1 PHE 86 13.109 4.241 10.388 656 HD2 PHE 86 HD2 PHE 86 15.032 1.374 7.898 657 HE1 PHE 86 HE1 PHE 86 12.952 5.795 8.482 658 HE2 PHE 86 HE2 PHE 86 14.878 2.919 5.992 659 HZ PHE 86 HZ PHE 86 13.838 5.132 6.282 660 H LYS 87 H LYS 87 10.529 1.779 10.033 661 HA LYS 87 HA LYS 87 10.340 -0.813 8.655 662 HB2 LYS 87 HB2 LYS 87 8.594 0.141 10.323 663 HB3 LYS 87 HB3 LYS 87 8.095 1.154 8.988 664 HG2 LYS 87 HG2 LYS 87 8.259 -1.515 8.048 665 HG3 LYS 87 HG3 LYS 87 7.363 -1.519 9.568 666 HD2 LYS 87 HD2 LYS 87 6.761 0.087 7.088 667 HD3 LYS 87 HD3 LYS 87 5.803 -1.225 7.774 668 HE2 LYS 87 HE2 LYS 87 6.270 1.509 8.955 669 HE3 LYS 87 HE3 LYS 87 4.761 0.875 8.309 670 HZ1 LYS 87 HZ1 LYS 87 4.590 0.727 10.625 671 HZ2 LYS 87 HZ2 LYS 87 6.146 0.092 10.810 672 HZ3 LYS 87 HZ3 LYS 87 4.920 -0.857 10.124 673 H VAL 88 H VAL 88 10.186 -0.948 6.517 674 HA VAL 88 HA VAL 88 9.464 1.300 4.882 675 HB VAL 88 HB VAL 88 11.722 1.973 5.196 676 HG11 VAL 88 HG11 VAL 88 13.643 0.517 4.646 677 HG12 VAL 88 HG12 VAL 88 12.526 -0.834 4.454 678 HG13 VAL 88 HG13 VAL 88 12.709 -0.057 6.026 679 HG21 VAL 88 HG21 VAL 88 12.598 1.915 2.934 680 HG22 VAL 88 HG22 VAL 88 10.852 2.168 2.922 681 HG23 VAL 88 HG23 VAL 88 11.518 0.582 2.532 682 H GLY 89 H GLY 89 8.145 0.416 3.503 683 HA2 GLY 89 HA2 GLY 89 7.240 -1.022 1.957 684 HA3 GLY 89 HA3 GLY 89 8.881 -1.571 1.640 685 H ASN 90 H ASN 90 9.525 -3.502 2.383 686 HA ASN 90 HA ASN 90 7.626 -5.019 4.045 687 HB2 ASN 90 HB2 ASN 90 9.536 -5.928 1.889 688 HB3 ASN 90 HB3 ASN 90 8.785 -7.049 3.019 689 HD21 ASN 90 HD21 ASN 90 6.254 -5.721 3.152 690 HD22 ASN 90 HD22 ASN 90 5.473 -5.970 1.629 691 H GLU 91 H GLU 91 10.348 -3.331 4.350 692 HA GLU 91 HA GLU 91 11.869 -5.354 5.813 693 HB2 GLU 91 HB2 GLU 91 12.681 -2.528 5.128 694 HB3 GLU 91 HB3 GLU 91 13.720 -3.813 5.718 695 HG2 GLU 91 HG2 GLU 91 12.339 -3.743 3.046 696 HG3 GLU 91 HG3 GLU 91 14.045 -3.428 3.347 697 H THR 92 H THR 92 12.056 -5.324 7.951 698 HA THR 92 HA THR 92 11.383 -2.872 9.410 699 HB THR 92 HB THR 92 10.546 -5.634 10.328 700 HG1 THR 92 HG1 THR 92 9.388 -4.502 8.455 701 HG21 THR 92 HG21 THR 92 11.019 -4.050 12.133 702 HG22 THR 92 HG22 THR 92 9.294 -4.404 12.036 703 HG23 THR 92 HG23 THR 92 9.918 -2.881 11.401 704 H ARG 93 H ARG 93 13.457 -2.372 9.875 705 HA ARG 93 HA ARG 93 15.234 -4.496 10.840 706 HB2 ARG 93 HB2 ARG 93 15.898 -1.686 9.945 707 HB3 ARG 93 HB3 ARG 93 17.054 -2.951 10.337 708 HG2 ARG 93 HG2 ARG 93 15.052 -3.141 8.103 709 HG3 ARG 93 HG3 ARG 93 16.709 -2.571 7.905 710 HD2 ARG 93 HD2 ARG 93 17.582 -4.699 8.610 711 HD3 ARG 93 HD3 ARG 93 15.962 -5.274 9.011 712 HE ARG 93 HE ARG 93 15.462 -5.410 6.706 713 HH11 ARG 93 HH11 ARG 93 18.830 -4.635 7.379 714 HH12 ARG 93 HH12 ARG 93 19.337 -4.933 5.745 715 HH21 ARG 93 HH21 ARG 93 16.143 -5.818 4.580 716 HH22 ARG 93 HH22 ARG 93 17.824 -5.617 4.153 717 H LYS 94 H LYS 94 16.210 -4.407 12.814 718 HA LYS 94 HA LYS 94 15.242 -2.322 14.638 719 HB2 LYS 94 HB2 LYS 94 16.702 -4.808 15.497 720 HB3 LYS 94 HB3 LYS 94 15.599 -3.806 16.422 721 HG2 LYS 94 HG2 LYS 94 13.724 -4.604 15.066 722 HG3 LYS 94 HG3 LYS 94 14.832 -5.627 14.150 723 HD2 LYS 94 HD2 LYS 94 14.298 -5.814 17.114 724 HD3 LYS 94 HD3 LYS 94 13.660 -6.899 15.879 725 HE2 LYS 94 HE2 LYS 94 16.596 -6.475 16.427 726 HE3 LYS 94 HE3 LYS 94 15.641 -7.797 17.095 727 HZ1 LYS 94 HZ1 LYS 94 15.144 -8.475 14.787 728 HZ2 LYS 94 HZ2 LYS 94 16.796 -8.562 15.181 729 HZ3 LYS 94 HZ3 LYS 94 16.218 -7.281 14.229 730 H TYR 95 H TYR 95 16.638 -0.888 15.492 731 HA TYR 95 HA TYR 95 19.495 -1.297 14.897 732 HB2 TYR 95 HB2 TYR 95 17.932 1.289 14.905 733 HB3 TYR 95 HB3 TYR 95 19.678 1.176 14.716 734 HD1 TYR 95 HD1 TYR 95 16.440 0.356 13.140 735 HD2 TYR 95 HD2 TYR 95 20.654 0.592 12.634 736 HE1 TYR 95 HE1 TYR 95 16.168 0.017 10.719 737 HE2 TYR 95 HE2 TYR 95 20.394 0.256 10.215 738 HH TYR 95 HH TYR 95 18.648 -0.852 8.702 739 H LYS 96 H LYS 96 20.986 -0.726 16.406 740 HA LYS 96 HA LYS 96 19.937 -0.292 19.111 741 HB2 LYS 96 HB2 LYS 96 21.350 -2.274 18.864 742 HB3 LYS 96 HB3 LYS 96 22.648 -1.286 18.200 743 HG2 LYS 96 HG2 LYS 96 23.372 -0.697 20.215 744 HG3 LYS 96 HG3 LYS 96 21.743 -0.341 20.795 745 HD2 LYS 96 HD2 LYS 96 21.345 -2.633 21.296 746 HD3 LYS 96 HD3 LYS 96 22.856 -3.124 20.527 747 HE2 LYS 96 HE2 LYS 96 24.117 -1.907 22.228 748 HE3 LYS 96 HE3 LYS 96 22.610 -1.385 22.980 749 HZ1 LYS 96 HZ1 LYS 96 22.073 -3.770 23.308 750 HZ2 LYS 96 HZ2 LYS 96 23.423 -3.243 24.186 751 HZ3 LYS 96 HZ3 LYS 96 23.638 -4.161 22.774 752 H MET 97 H MET 97 20.433 1.470 20.252 753 HA MET 97 HA MET 97 21.629 3.670 18.776 754 HB2 MET 97 HB2 MET 97 20.423 3.715 21.549 755 HB3 MET 97 HB3 MET 97 20.707 5.092 20.490 756 HG2 MET 97 HG2 MET 97 19.037 4.250 18.931 757 HG3 MET 97 HG3 MET 97 18.767 2.850 19.964 758 HE1 MET 97 HE1 MET 97 18.164 6.654 19.411 759 HE2 MET 97 HE2 MET 97 19.273 6.662 20.783 760 HE3 MET 97 HE3 MET 97 17.601 7.186 20.996 761 H THR 98 H THR 98 23.591 2.052 19.095 762 HA THR 98 HA THR 98 24.813 2.091 21.676 763 HB THR 98 HB THR 98 25.256 0.114 20.608 764 HG1 THR 98 HG1 THR 98 27.332 1.782 20.904 765 HG21 THR 98 HG21 THR 98 25.767 1.731 18.132 766 HG22 THR 98 HG22 THR 98 24.478 0.556 18.426 767 HG23 THR 98 HG23 THR 98 26.150 0.015 18.256 768 H SER 99 H SER 99 24.897 4.219 19.009 769 HA SER 99 HA SER 99 27.179 5.574 20.271 770 HB2 SER 99 HB2 SER 99 26.492 5.424 17.333 771 HB3 SER 99 HB3 SER 99 27.721 6.495 18.007 772 HG SER 99 HG SER 99 27.691 3.661 18.232 773 H ILE 100 H ILE 100 25.823 6.774 21.580 774 HA ILE 100 HA ILE 100 24.078 8.718 20.226 775 HB ILE 100 HB ILE 100 24.126 7.905 23.145 776 HG12 ILE 100 HG12 ILE 100 22.067 7.351 20.990 777 HG13 ILE 100 HG13 ILE 100 23.214 6.175 21.627 778 HG21 ILE 100 HG21 ILE 100 22.105 9.275 23.360 779 HG22 ILE 100 HG22 ILE 100 22.273 9.782 21.679 780 HG23 ILE 100 HG23 ILE 100 23.495 10.240 22.863 781 HD11 ILE 100 HD11 ILE 100 20.981 5.914 22.586 782 HD12 ILE 100 HD12 ILE 100 21.072 7.556 23.227 783 HD13 ILE 100 HD13 ILE 100 22.184 6.319 23.813 784 H ARG 101 H ARG 101 25.165 10.537 19.802 785 HA ARG 101 HA ARG 101 26.813 11.702 21.938 786 HB2 ARG 101 HB2 ARG 101 28.354 10.688 20.378 787 HB3 ARG 101 HB3 ARG 101 27.532 11.435 19.019 788 HG2 ARG 101 HG2 ARG 101 29.494 12.669 19.355 789 HG3 ARG 101 HG3 ARG 101 28.185 13.658 20.002 790 HD2 ARG 101 HD2 ARG 101 28.768 12.550 22.257 791 HD3 ARG 101 HD3 ARG 101 30.286 12.110 21.474 792 HE ARG 101 HE ARG 101 29.342 14.896 21.733 793 HH11 ARG 101 HH11 ARG 101 31.917 12.523 21.702 794 HH12 ARG 101 HH12 ARG 101 33.138 13.650 22.216 795 HH21 ARG 101 HH21 ARG 101 30.928 16.382 22.392 796 HH22 ARG 101 HH22 ARG 101 32.575 15.863 22.595 797 H ASP 102 H ASP 102 26.844 13.936 22.000 798 HA ASP 102 HA ASP 102 25.080 15.286 20.063 799 HB2 ASP 102 HB2 ASP 102 24.377 16.842 21.680 800 HB3 ASP 102 HB3 ASP 102 24.330 15.299 22.518 801 H VAL 103 H VAL 103 25.785 17.224 19.202 802 HA VAL 103 HA VAL 103 28.664 17.717 19.549 803 HB VAL 103 HB VAL 103 28.373 16.518 17.483 804 HG11 VAL 103 HG11 VAL 103 26.352 18.620 16.728 805 HG12 VAL 103 HG12 VAL 103 26.014 16.929 17.094 806 HG13 VAL 103 HG13 VAL 103 26.958 17.353 15.662 807 HG21 VAL 103 HG21 VAL 103 29.269 18.124 15.864 808 HG22 VAL 103 HG22 VAL 103 30.026 18.306 17.447 809 HG23 VAL 103 HG23 VAL 103 28.792 19.453 16.921 810 H LYS 104 H LYS 104 29.273 19.765 19.784 811 HA LYS 104 HA LYS 104 27.234 21.784 20.044 812 HB2 LYS 104 HB2 LYS 104 30.194 21.693 20.533 813 HB3 LYS 104 HB3 LYS 104 29.354 23.234 20.496 814 HG2 LYS 104 HG2 LYS 104 29.595 22.455 22.772 815 HG3 LYS 104 HG3 LYS 104 27.895 22.481 22.311 816 HD2 LYS 104 HD2 LYS 104 27.991 20.051 21.900 817 HD3 LYS 104 HD3 LYS 104 29.682 20.046 22.405 818 HE2 LYS 104 HE2 LYS 104 29.046 20.790 24.625 819 HE3 LYS 104 HE3 LYS 104 27.359 20.904 24.128 820 HZ1 LYS 104 HZ1 LYS 104 27.792 18.871 25.360 821 HZ2 LYS 104 HZ2 LYS 104 28.956 18.394 24.224 822 HZ3 LYS 104 HZ3 LYS 104 27.325 18.519 23.769 823 HA PRO 105 HA PRO 105 27.547 23.089 15.831 824 HB2 PRO 105 HB2 PRO 105 26.091 25.491 16.634 825 HB3 PRO 105 HB3 PRO 105 25.552 24.143 15.630 826 HG2 PRO 105 HG2 PRO 105 24.568 24.575 18.105 827 HG3 PRO 105 HG3 PRO 105 24.759 22.947 17.430 828 HD2 PRO 105 HD2 PRO 105 26.534 24.417 19.350 829 HD3 PRO 105 HD3 PRO 105 25.980 22.728 19.399 830 H THR 106 H THR 106 29.822 23.748 17.443 831 HA THR 106 HA THR 106 30.447 26.518 17.223 832 HB THR 106 HB THR 106 32.377 24.201 17.450 833 HG1 THR 106 HG1 THR 106 30.840 25.574 19.430 834 HG21 THR 106 HG21 THR 106 33.404 26.375 16.950 835 HG22 THR 106 HG22 THR 106 33.808 25.826 18.576 836 HG23 THR 106 HG23 THR 106 32.587 27.077 18.346 837 H ASP 107 H ASP 107 30.893 23.694 15.199 838 HA ASP 107 HA ASP 107 31.276 25.301 12.862 839 HB2 ASP 107 HB2 ASP 107 33.582 25.300 13.725 840 HB3 ASP 107 HB3 ASP 107 33.561 23.541 13.790 841 H VAL 108 H VAL 108 31.098 24.065 10.935 842 HA VAL 108 HA VAL 108 29.843 21.449 11.405 843 HB VAL 108 HB VAL 108 28.758 21.749 9.203 844 HG11 VAL 108 HG11 VAL 108 28.327 24.023 11.138 845 HG12 VAL 108 HG12 VAL 108 27.587 22.424 11.222 846 HG13 VAL 108 HG13 VAL 108 27.193 23.511 9.889 847 HG21 VAL 108 HG21 VAL 108 30.449 23.203 8.175 848 HG22 VAL 108 HG22 VAL 108 29.984 24.509 9.267 849 HG23 VAL 108 HG23 VAL 108 28.836 23.907 8.071 850 H GLU 109 H GLU 109 32.519 23.020 9.926 851 HA GLU 109 HA GLU 109 33.068 20.827 8.082 852 HB2 GLU 109 HB2 GLU 109 34.679 23.322 8.663 853 HB3 GLU 109 HB3 GLU 109 34.943 22.205 7.332 854 HG2 GLU 109 HG2 GLU 109 32.811 22.812 6.360 855 HG3 GLU 109 HG3 GLU 109 32.466 23.870 7.728 856 H VAL 110 H VAL 110 33.533 21.400 11.274 857 HA VAL 110 HA VAL 110 36.262 20.703 11.641 858 HB VAL 110 HB VAL 110 34.981 22.048 13.259 859 HG11 VAL 110 HG11 VAL 110 32.840 20.925 13.147 860 HG12 VAL 110 HG12 VAL 110 33.420 20.943 14.813 861 HG13 VAL 110 HG13 VAL 110 33.534 19.467 13.855 862 HG21 VAL 110 HG21 VAL 110 35.810 20.971 15.308 863 HG22 VAL 110 HG22 VAL 110 37.006 20.951 14.012 864 HG23 VAL 110 HG23 VAL 110 36.099 19.488 14.396 865 H LEU 111 H LEU 111 33.402 18.832 11.190 866 HA LEU 111 HA LEU 111 34.663 16.502 12.433 867 HB2 LEU 111 HB2 LEU 111 32.362 15.550 12.469 868 HB3 LEU 111 HB3 LEU 111 32.601 16.966 13.472 869 HG LEU 111 HG LEU 111 31.659 18.217 11.339 870 HD11 LEU 111 HD11 LEU 111 29.970 16.936 10.184 871 HD12 LEU 111 HD12 LEU 111 30.384 15.497 11.118 872 HD13 LEU 111 HD13 LEU 111 31.551 16.177 9.982 873 HD21 LEU 111 HD21 LEU 111 29.441 18.101 12.351 874 HD22 LEU 111 HD22 LEU 111 30.706 18.280 13.569 875 HD23 LEU 111 HD23 LEU 111 29.950 16.708 13.307 876 H ASP 112 H ASP 112 34.576 14.476 11.435 877 HA ASP 112 HA ASP 112 33.697 14.251 8.695 878 HB2 ASP 112 HB2 ASP 112 35.869 13.477 7.844 879 HB3 ASP 112 HB3 ASP 112 35.965 15.149 8.389 880 H GLU 113 H GLU 113 33.795 12.028 7.944 881 HA GLU 113 HA GLU 113 34.198 10.062 10.082 882 HB2 GLU 113 HB2 GLU 113 32.246 8.776 9.122 883 HB3 GLU 113 HB3 GLU 113 31.842 10.237 10.009 884 HG2 GLU 113 HG2 GLU 113 31.401 11.429 7.994 885 HG3 GLU 113 HG3 GLU 113 32.045 10.112 7.011 886 H GLN 114 H GLN 114 33.886 7.735 8.828 887 HA GLN 114 HA GLN 114 35.959 7.933 6.756 888 HB2 GLN 114 HB2 GLN 114 35.643 5.819 8.888 889 HB3 GLN 114 HB3 GLN 114 36.882 5.829 7.635 890 HG2 GLN 114 HG2 GLN 114 36.513 7.912 9.781 891 HG3 GLN 114 HG3 GLN 114 37.772 6.674 9.730 892 HE21 GLN 114 HE21 GLN 114 37.699 9.726 9.585 893 HE22 GLN 114 HE22 GLN 114 38.724 10.089 8.238 894 H LYS 115 H LYS 115 36.161 6.013 5.377 895 HA LYS 115 HA LYS 115 33.529 5.501 4.242 896 HB2 LYS 115 HB2 LYS 115 36.244 4.851 3.082 897 HB3 LYS 115 HB3 LYS 115 34.714 4.963 2.218 898 HG2 LYS 115 HG2 LYS 115 34.634 7.316 2.478 899 HG3 LYS 115 HG3 LYS 115 35.958 7.301 3.644 900 HD2 LYS 115 HD2 LYS 115 37.437 6.431 1.819 901 HD3 LYS 115 HD3 LYS 115 36.104 6.701 0.692 902 HE2 LYS 115 HE2 LYS 115 36.101 9.072 1.237 903 HE3 LYS 115 HE3 LYS 115 37.380 8.820 2.424 904 HZ1 LYS 115 HZ1 LYS 115 37.605 8.408 -0.510 905 HZ2 LYS 115 HZ2 LYS 115 38.838 8.092 0.613 906 HZ3 LYS 115 HZ3 LYS 115 38.287 9.681 0.380 907 H GLY 116 H GLY 116 32.577 3.539 4.163 908 HA2 GLY 116 HA2 GLY 116 32.845 1.096 4.003 909 HA3 GLY 116 HA3 GLY 116 34.142 1.248 5.183 910 H LYS 117 H LYS 117 30.718 2.116 4.815 911 HA LYS 117 HA LYS 117 30.344 1.922 7.692 912 HB2 LYS 117 HB2 LYS 117 28.331 2.579 5.547 913 HB3 LYS 117 HB3 LYS 117 28.111 2.779 7.273 914 HG2 LYS 117 HG2 LYS 117 30.160 4.254 5.644 915 HG3 LYS 117 HG3 LYS 117 28.568 4.883 6.069 916 HD2 LYS 117 HD2 LYS 117 29.198 4.497 8.486 917 HD3 LYS 117 HD3 LYS 117 30.843 4.197 7.917 918 HE2 LYS 117 HE2 LYS 117 30.632 6.504 8.605 919 HE3 LYS 117 HE3 LYS 117 30.855 6.420 6.858 920 HZ1 LYS 117 HZ1 LYS 117 29.147 7.985 7.264 921 HZ2 LYS 117 HZ2 LYS 117 28.343 6.948 8.335 922 HZ3 LYS 117 HZ3 LYS 117 28.370 6.591 6.684 923 H ASP 118 H ASP 118 28.520 0.798 8.558 924 HA ASP 118 HA ASP 118 27.676 -1.597 7.054 925 HB2 ASP 118 HB2 ASP 118 28.743 -1.684 9.485 926 HB3 ASP 118 HB3 ASP 118 27.135 -1.194 9.988 927 H LYS 119 H LYS 119 25.260 -2.040 8.336 928 HA LYS 119 HA LYS 119 23.656 0.104 7.292 929 HB2 LYS 119 HB2 LYS 119 22.878 -2.331 8.914 930 HB3 LYS 119 HB3 LYS 119 21.729 -1.173 8.267 931 HG2 LYS 119 HG2 LYS 119 21.650 -2.820 6.678 932 HG3 LYS 119 HG3 LYS 119 22.869 -1.745 5.990 933 HD2 LYS 119 HD2 LYS 119 23.617 -4.043 5.836 934 HD3 LYS 119 HD3 LYS 119 24.631 -3.154 6.974 935 HE2 LYS 119 HE2 LYS 119 23.212 -4.061 8.826 936 HE3 LYS 119 HE3 LYS 119 22.409 -5.082 7.632 937 HZ1 LYS 119 HZ1 LYS 119 25.314 -5.108 8.245 938 HZ2 LYS 119 HZ2 LYS 119 24.527 -6.115 7.124 939 HZ3 LYS 119 HZ3 LYS 119 24.188 -6.255 8.778 940 H GLN 120 H GLN 120 23.795 1.978 8.351 941 HA GLN 120 HA GLN 120 23.028 1.976 11.180 942 HB2 GLN 120 HB2 GLN 120 24.739 3.531 11.806 943 HB3 GLN 120 HB3 GLN 120 25.531 2.186 10.999 944 HG2 GLN 120 HG2 GLN 120 25.811 3.472 9.000 945 HG3 GLN 120 HG3 GLN 120 24.838 4.786 9.652 946 HE21 GLN 120 HE21 GLN 120 26.377 6.337 9.524 947 HE22 GLN 120 HE22 GLN 120 27.817 6.355 10.491 948 H LEU 121 H LEU 121 21.742 3.678 11.780 949 HA LEU 121 HA LEU 121 21.053 5.570 9.633 950 HB2 LEU 121 HB2 LEU 121 19.439 5.197 12.142 951 HB3 LEU 121 HB3 LEU 121 18.945 5.901 10.611 952 HG LEU 121 HG LEU 121 19.428 2.969 11.142 953 HD11 LEU 121 HD11 LEU 121 17.011 2.783 10.760 954 HD12 LEU 121 HD12 LEU 121 16.906 4.540 10.634 955 HD13 LEU 121 HD13 LEU 121 17.388 3.792 12.157 956 HD21 LEU 121 HD21 LEU 121 20.058 3.566 8.861 957 HD22 LEU 121 HD22 LEU 121 18.502 4.363 8.633 958 HD23 LEU 121 HD23 LEU 121 18.571 2.619 8.880 959 H THR 122 H THR 122 21.987 7.457 9.811 960 HA THR 122 HA THR 122 22.891 8.385 12.432 961 HB THR 122 HB THR 122 23.451 9.645 9.739 962 HG1 THR 122 HG1 THR 122 24.314 7.291 10.765 963 HG21 THR 122 HG21 THR 122 23.894 11.053 11.704 964 HG22 THR 122 HG22 THR 122 25.392 10.592 10.897 965 HG23 THR 122 HG23 THR 122 24.908 9.780 12.387 966 H LEU 123 H LEU 123 21.069 9.144 13.400 967 HA LEU 123 HA LEU 123 19.213 10.836 11.980 968 HB2 LEU 123 HB2 LEU 123 19.332 9.922 14.848 969 HB3 LEU 123 HB3 LEU 123 18.104 11.013 14.244 970 HG LEU 123 HG LEU 123 17.547 9.159 12.558 971 HD11 LEU 123 HD11 LEU 123 19.034 7.507 14.588 972 HD12 LEU 123 HD12 LEU 123 19.546 7.798 12.927 973 HD13 LEU 123 HD13 LEU 123 18.065 6.898 13.248 974 HD21 LEU 123 HD21 LEU 123 16.112 8.022 14.194 975 HD22 LEU 123 HD22 LEU 123 16.077 9.777 14.365 976 HD23 LEU 123 HD23 LEU 123 17.009 8.798 15.500 977 H ILE 124 H ILE 124 19.861 12.823 11.548 978 HA ILE 124 HA ILE 124 21.492 14.346 13.385 979 HB ILE 124 HB ILE 124 20.079 15.318 10.890 980 HG12 ILE 124 HG12 ILE 124 22.918 14.302 11.196 981 HG13 ILE 124 HG13 ILE 124 21.609 13.427 10.408 982 HG21 ILE 124 HG21 ILE 124 21.768 17.098 10.931 983 HG22 ILE 124 HG22 ILE 124 22.417 16.443 12.436 984 HG23 ILE 124 HG23 ILE 124 20.781 17.103 12.394 985 HD11 ILE 124 HD11 ILE 124 22.738 16.066 9.509 986 HD12 ILE 124 HD12 ILE 124 21.454 15.158 8.713 987 HD13 ILE 124 HD13 ILE 124 23.084 14.493 8.795 988 H THR 125 H THR 125 20.101 14.262 15.192 989 HA THR 125 HA THR 125 17.494 15.523 14.970 990 HB THR 125 HB THR 125 18.806 14.307 17.410 991 HG1 THR 125 HG1 THR 125 18.508 12.529 16.284 992 HG21 THR 125 HG21 THR 125 16.445 14.060 18.175 993 HG22 THR 125 HG22 THR 125 15.938 15.021 16.783 994 HG23 THR 125 HG23 THR 125 16.969 15.738 18.023 995 H CYS 126 H CYS 126 17.934 17.696 14.686 996 HA CYS 126 HA CYS 126 19.568 19.171 16.495 997 HB2 CYS 126 HB2 CYS 126 17.377 20.055 14.600 998 HB3 CYS 126 HB3 CYS 126 18.374 21.166 15.536 999 H ASP 127 H ASP 127 19.047 18.714 18.546 1000 HA ASP 127 HA ASP 127 16.321 18.379 19.400 1001 HB2 ASP 127 HB2 ASP 127 18.235 16.957 20.166 1002 HB3 ASP 127 HB3 ASP 127 18.863 18.346 21.042 1003 H ASP 128 H ASP 128 17.857 21.040 18.725 1004 HA ASP 128 HA ASP 128 16.168 22.665 20.344 1005 HB2 ASP 128 HB2 ASP 128 17.992 22.313 21.962 1006 HB3 ASP 128 HB3 ASP 128 19.161 22.875 20.770 1007 H TYR 129 H TYR 129 15.421 23.751 18.606 1008 HA TYR 129 HA TYR 129 17.317 25.587 17.406 1009 HB2 TYR 129 HB2 TYR 129 16.710 25.189 15.135 1010 HB3 TYR 129 HB3 TYR 129 17.114 23.625 15.820 1011 HD1 TYR 129 HD1 TYR 129 14.407 25.741 14.533 1012 HD2 TYR 129 HD2 TYR 129 15.417 21.905 16.077 1013 HE1 TYR 129 HE1 TYR 129 12.249 24.867 13.748 1014 HE2 TYR 129 HE2 TYR 129 13.263 21.019 15.286 1015 HH TYR 129 HH TYR 129 11.247 22.722 13.139 1016 H ASN 130 H ASN 130 16.488 27.562 17.110 1017 HA ASN 130 HA ASN 130 13.672 27.930 17.828 1018 HB2 ASN 130 HB2 ASN 130 15.426 29.238 19.046 1019 HB3 ASN 130 HB3 ASN 130 15.831 30.033 17.528 1020 HD21 ASN 130 HD21 ASN 130 14.776 31.054 20.093 1021 HD22 ASN 130 HD22 ASN 130 13.338 31.940 19.673 1022 H GLU 131 H GLU 131 12.269 28.085 16.256 1023 HA GLU 131 HA GLU 131 13.013 28.137 13.538 1024 HB2 GLU 131 HB2 GLU 131 10.516 28.328 13.176 1025 HB3 GLU 131 HB3 GLU 131 11.072 26.941 14.099 1026 HG2 GLU 131 HG2 GLU 131 10.494 28.151 16.180 1027 HG3 GLU 131 HG3 GLU 131 9.832 29.455 15.195 1028 H LYS 132 H LYS 132 12.508 30.689 15.721 1029 HA LYS 132 HA LYS 132 11.609 32.653 13.830 1030 HB2 LYS 132 HB2 LYS 132 11.585 32.586 16.511 1031 HB3 LYS 132 HB3 LYS 132 13.090 33.461 16.288 1032 HG2 LYS 132 HG2 LYS 132 10.335 34.283 15.427 1033 HG3 LYS 132 HG3 LYS 132 11.402 35.063 16.595 1034 HD2 LYS 132 HD2 LYS 132 12.936 35.685 14.829 1035 HD3 LYS 132 HD3 LYS 132 11.959 34.825 13.642 1036 HE2 LYS 132 HE2 LYS 132 10.060 36.353 14.236 1037 HE3 LYS 132 HE3 LYS 132 11.202 37.285 15.202 1038 HZ1 LYS 132 HZ1 LYS 132 12.526 37.628 13.183 1039 HZ2 LYS 132 HZ2 LYS 132 10.966 38.261 13.028 1040 HZ3 LYS 132 HZ3 LYS 132 11.363 36.795 12.276 1041 H THR 133 H THR 133 14.659 32.402 15.636 1042 HA THR 133 HA THR 133 15.907 34.180 13.707 1043 HB THR 133 HB THR 133 16.461 34.997 15.757 1044 HG1 THR 133 HG1 THR 133 18.624 34.008 16.376 1045 HG21 THR 133 HG21 THR 133 16.605 32.176 16.813 1046 HG22 THR 133 HG22 THR 133 15.315 33.350 17.092 1047 HG23 THR 133 HG23 THR 133 16.922 33.626 17.765 1048 H GLY 134 H GLY 134 15.846 30.827 14.444 1049 HA2 GLY 134 HA2 GLY 134 16.808 29.112 13.210 1050 HA3 GLY 134 HA3 GLY 134 17.725 30.313 12.312 1051 H VAL 135 H VAL 135 17.655 29.921 15.815 1052 HA VAL 135 HA VAL 135 20.532 29.360 15.735 1053 HB VAL 135 HB VAL 135 19.862 31.369 16.995 1054 HG11 VAL 135 HG11 VAL 135 18.686 31.158 19.124 1055 HG12 VAL 135 HG12 VAL 135 18.431 29.442 18.807 1056 HG13 VAL 135 HG13 VAL 135 17.684 30.653 17.765 1057 HG21 VAL 135 HG21 VAL 135 21.026 29.163 18.683 1058 HG22 VAL 135 HG22 VAL 135 21.119 30.887 19.049 1059 HG23 VAL 135 HG23 VAL 135 21.909 30.247 17.608 1060 H TRP 136 H TRP 136 21.408 27.711 17.018 1061 HA TRP 136 HA TRP 136 19.545 25.824 18.225 1062 HB2 TRP 136 HB2 TRP 136 21.023 23.989 17.039 1063 HB3 TRP 136 HB3 TRP 136 19.650 24.708 16.211 1064 HD1 TRP 136 HD1 TRP 136 23.509 25.140 16.353 1065 HE1 TRP 136 HE1 TRP 136 24.301 25.903 14.024 1066 HE3 TRP 136 HE3 TRP 136 18.963 25.601 14.064 1067 HZ2 TRP 136 HZ2 TRP 136 23.149 26.607 11.545 1068 HZ3 TRP 136 HZ3 TRP 136 18.895 26.325 11.714 1069 HH2 TRP 136 HH2 TRP 136 20.944 26.817 10.482 1070 H GLU 137 H GLU 137 20.252 25.263 20.184 1071 HA GLU 137 HA GLU 137 22.996 25.883 20.906 1072 HB2 GLU 137 HB2 GLU 137 20.646 24.930 22.530 1073 HB3 GLU 137 HB3 GLU 137 22.252 25.151 23.205 1074 HG2 GLU 137 HG2 GLU 137 22.151 27.531 22.484 1075 HG3 GLU 137 HG3 GLU 137 20.471 27.257 22.018 1076 H LYS 138 H LYS 138 20.912 22.988 21.200 1077 HA LYS 138 HA LYS 138 23.398 21.425 21.354 1078 HB2 LYS 138 HB2 LYS 138 22.242 19.823 22.781 1079 HB3 LYS 138 HB3 LYS 138 22.212 21.430 23.486 1080 HG2 LYS 138 HG2 LYS 138 19.884 21.686 22.617 1081 HG3 LYS 138 HG3 LYS 138 19.943 19.992 22.126 1082 HD2 LYS 138 HD2 LYS 138 20.504 19.426 24.510 1083 HD3 LYS 138 HD3 LYS 138 20.161 21.107 24.917 1084 HE2 LYS 138 HE2 LYS 138 18.250 19.082 23.764 1085 HE3 LYS 138 HE3 LYS 138 18.219 19.771 25.385 1086 HZ1 LYS 138 HZ1 LYS 138 17.604 21.109 22.822 1087 HZ2 LYS 138 HZ2 LYS 138 17.908 21.985 24.239 1088 HZ3 LYS 138 HZ3 LYS 138 16.598 20.914 24.165 1089 H ARG 139 H ARG 139 23.756 20.056 19.786 1090 HA ARG 139 HA ARG 139 21.477 19.098 18.189 1091 HB2 ARG 139 HB2 ARG 139 23.120 20.420 16.917 1092 HB3 ARG 139 HB3 ARG 139 24.395 19.311 17.410 1093 HG2 ARG 139 HG2 ARG 139 23.245 17.491 16.229 1094 HG3 ARG 139 HG3 ARG 139 22.007 18.632 15.701 1095 HD2 ARG 139 HD2 ARG 139 24.947 18.765 15.045 1096 HD3 ARG 139 HD3 ARG 139 23.662 18.257 13.950 1097 HE ARG 139 HE ARG 139 24.079 20.988 14.959 1098 HH11 ARG 139 HH11 ARG 139 22.594 18.756 12.723 1099 HH12 ARG 139 HH12 ARG 139 21.974 19.992 11.663 1100 HH21 ARG 139 HH21 ARG 139 23.285 22.641 13.573 1101 HH22 ARG 139 HH22 ARG 139 22.392 22.204 12.160 1102 H LYS 140 H LYS 140 20.891 17.180 19.015 1103 HA LYS 140 HA LYS 140 22.972 15.357 19.946 1104 HB2 LYS 140 HB2 LYS 140 21.223 15.715 21.540 1105 HB3 LYS 140 HB3 LYS 140 19.974 15.404 20.341 1106 HG2 LYS 140 HG2 LYS 140 20.230 13.534 21.867 1107 HG3 LYS 140 HG3 LYS 140 20.681 13.073 20.223 1108 HD2 LYS 140 HD2 LYS 140 22.447 12.191 21.344 1109 HD3 LYS 140 HD3 LYS 140 23.064 13.817 21.056 1110 HE2 LYS 140 HE2 LYS 140 21.717 12.862 23.588 1111 HE3 LYS 140 HE3 LYS 140 23.449 13.100 23.375 1112 HZ1 LYS 140 HZ1 LYS 140 21.382 15.237 23.200 1113 HZ2 LYS 140 HZ2 LYS 140 23.053 15.454 23.039 1114 HZ3 LYS 140 HZ3 LYS 140 22.407 14.965 24.523 1115 H ILE 141 H ILE 141 23.775 14.245 18.244 1116 HA ILE 141 HA ILE 141 21.938 13.301 16.249 1117 HB ILE 141 HB ILE 141 23.810 14.583 15.481 1118 HG12 ILE 141 HG12 ILE 141 24.378 11.731 14.780 1119 HG13 ILE 141 HG13 ILE 141 22.970 12.609 14.195 1120 HG21 ILE 141 HG21 ILE 141 25.355 14.175 17.311 1121 HG22 ILE 141 HG22 ILE 141 26.121 13.853 15.757 1122 HG23 ILE 141 HG23 ILE 141 25.580 12.513 16.768 1123 HD11 ILE 141 HD11 ILE 141 25.840 13.367 13.733 1124 HD12 ILE 141 HD12 ILE 141 24.436 14.272 13.169 1125 HD13 ILE 141 HD13 ILE 141 24.748 12.651 12.544 1126 H PHE 142 H PHE 142 21.466 11.243 15.939 1127 HA PHE 142 HA PHE 142 22.564 9.330 17.886 1128 HB2 PHE 142 HB2 PHE 142 19.920 9.303 16.421 1129 HB3 PHE 142 HB3 PHE 142 20.476 8.037 17.508 1130 HD1 PHE 142 HD1 PHE 142 20.836 8.598 19.924 1131 HD2 PHE 142 HD2 PHE 142 18.852 11.218 17.227 1132 HE1 PHE 142 HE1 PHE 142 19.822 9.781 21.827 1133 HE2 PHE 142 HE2 PHE 142 17.835 12.408 19.124 1134 HZ PHE 142 HZ PHE 142 18.317 11.690 21.428 1135 H VAL 143 H VAL 143 23.953 7.896 17.088 1136 HA VAL 143 HA VAL 143 23.589 7.004 14.310 1137 HB VAL 143 HB VAL 143 25.980 6.570 16.103 1138 HG11 VAL 143 HG11 VAL 143 25.770 4.841 14.424 1139 HG12 VAL 143 HG12 VAL 143 27.102 5.914 13.994 1140 HG13 VAL 143 HG13 VAL 143 25.555 6.052 13.160 1141 HG21 VAL 143 HG21 VAL 143 25.591 8.557 13.866 1142 HG22 VAL 143 HG22 VAL 143 27.109 8.248 14.712 1143 HG23 VAL 143 HG23 VAL 143 25.736 8.930 15.584 1144 H ALA 144 H ALA 144 22.168 5.385 14.348 1145 HA ALA 144 HA ALA 144 22.465 3.318 16.418 1146 HB1 ALA 144 HB1 ALA 144 20.085 3.905 14.661 1147 HB2 ALA 144 HB2 ALA 144 20.275 4.394 16.346 1148 HB3 ALA 144 HB3 ALA 144 20.170 2.684 15.932 1149 H THR 145 H THR 145 23.352 1.480 15.856 1150 HA THR 145 HA THR 145 23.722 0.846 13.032 1151 HB THR 145 HB THR 145 24.824 -0.669 15.406 1152 HG1 THR 145 HG1 THR 145 25.964 1.548 14.007 1153 HG21 THR 145 HG21 THR 145 26.565 -1.337 13.812 1154 HG22 THR 145 HG22 THR 145 25.774 -0.398 12.548 1155 HG23 THR 145 HG23 THR 145 24.967 -1.808 13.235 1156 H GLU 146 H GLU 146 22.904 -0.978 12.055 1157 HA GLU 146 HA GLU 146 20.439 -1.941 13.024 1158 HB2 GLU 146 HB2 GLU 146 21.185 -1.754 10.610 1159 HB3 GLU 146 HB3 GLU 146 22.115 -3.223 10.869 1160 HG2 GLU 146 HG2 GLU 146 20.144 -4.491 11.272 1161 HG3 GLU 146 HG3 GLU 146 19.148 -3.037 11.306 1162 H VAL 147 H VAL 147 20.099 -3.352 14.556 1163 HA VAL 147 HA VAL 147 22.153 -5.345 15.151 1164 HB VAL 147 HB VAL 147 21.682 -4.040 17.045 1165 HG11 VAL 147 HG11 VAL 147 19.541 -3.127 16.424 1166 HG12 VAL 147 HG12 VAL 147 19.441 -3.834 18.036 1167 HG13 VAL 147 HG13 VAL 147 18.785 -4.703 16.648 1168 HG21 VAL 147 HG21 VAL 147 20.300 -6.672 17.383 1169 HG22 VAL 147 HG22 VAL 147 20.865 -5.637 18.695 1170 HG23 VAL 147 HG23 VAL 147 22.025 -6.355 17.579 1171 H LYS 148 H LYS 148 21.435 -7.415 15.828 1172 HA LYS 148 HA LYS 148 19.326 -8.334 13.989 1173 HB2 LYS 148 HB2 LYS 148 20.755 -10.504 14.080 1174 HB3 LYS 148 HB3 LYS 148 21.315 -9.146 13.108 1175 HG2 LYS 148 HG2 LYS 148 22.696 -8.444 15.094 1176 HG3 LYS 148 HG3 LYS 148 22.277 -9.992 15.827 1177 HD2 LYS 148 HD2 LYS 148 24.449 -10.054 14.720 1178 HD3 LYS 148 HD3 LYS 148 23.304 -11.166 13.973 1179 HE2 LYS 148 HE2 LYS 148 22.909 -9.590 12.169 1180 HE3 LYS 148 HE3 LYS 148 23.973 -8.412 12.936 1181 HZ1 LYS 148 HZ1 LYS 148 24.822 -11.086 11.954 1182 HZ2 LYS 148 HZ2 LYS 148 25.829 -9.891 12.617 1183 HZ3 LYS 148 HZ3 LYS 148 25.061 -9.621 11.128 1184 H6 2W7 201 H6 2W7 201 16.861 22.543 12.336 1185 H7 2W7 201 H7 2W7 201 15.604 22.230 10.222 1186 H8 2W7 201 H8 2W7 201 16.779 21.433 8.187 1187 H9 2W7 201 H9 2W7 201 19.212 20.959 8.261 1188 H3 2W7 201 H3 2W7 201 21.239 23.309 10.481 1189 H122 2W7 201 H122 2W7 201 22.494 22.083 8.289 1190 H121 2W7 201 H121 2W7 201 23.132 23.430 9.250 1191 H4 2W7 201 H4 2W7 201 22.932 19.803 9.109 1192 HZ12 2W7 201 HZ12 2W7 201 26.274 21.161 9.204 1193 HZ11 2W7 201 HZ11 2W7 201 25.767 20.398 7.686 1194 HY1 2W7 201 HY1 2W7 201 28.147 19.962 8.156 1195 HX22 2W7 201 HX22 2W7 201 28.774 18.594 10.096 1196 HX21 2W7 201 HX21 2W7 201 28.009 20.117 10.608 1197 HY3 2W7 201 HY3 2W7 201 27.092 18.184 11.881 1198 HZ21 2W7 201 HZ21 2W7 201 25.630 20.110 11.400 1199 HZ22 2W7 201 HZ22 2W7 201 24.706 18.594 11.411 1200 HX31 2W7 201 HX31 2W7 201 27.460 16.477 10.145 1201 HX32 2W7 201 HX32 2W7 201 25.771 16.479 10.693 1202 HY2 2W7 201 HY2 2W7 201 25.891 16.350 8.230 1203 HZ32 2W7 201 HZ32 2W7 201 24.005 17.543 9.290 1204 HZ31 2W7 201 HZ31 2W7 201 24.438 18.274 7.730 1205 HX12 2W7 201 HX12 2W7 201 28.054 17.493 7.976 1206 HX11 2W7 201 HX11 2W7 201 26.811 18.258 6.965 Start of MODEL 16 1 HA MET 1 HA MET 1 2.268 -7.785 -4.628 2 HB2 MET 1 HB2 MET 1 2.060 -5.836 -3.036 3 HB3 MET 1 HB3 MET 1 2.587 -7.351 -2.320 4 HG2 MET 1 HG2 MET 1 4.887 -6.557 -2.308 5 HG3 MET 1 HG3 MET 1 4.375 -5.045 -3.056 6 HE1 MET 1 HE1 MET 1 5.573 -3.656 -1.102 7 HE2 MET 1 HE2 MET 1 6.106 -5.186 -0.409 8 HE3 MET 1 HE3 MET 1 5.314 -3.987 0.610 9 H GLN 2 H GLN 2 4.665 -5.120 -4.524 10 HA GLN 2 HA GLN 2 3.790 -4.278 -7.176 11 HB2 GLN 2 HB2 GLN 2 3.756 -2.475 -4.742 12 HB3 GLN 2 HB3 GLN 2 3.617 -1.904 -6.397 13 HG2 GLN 2 HG2 GLN 2 1.580 -3.385 -6.602 14 HG3 GLN 2 HG3 GLN 2 1.675 -3.598 -4.857 15 HE21 GLN 2 HE21 GLN 2 1.040 -1.382 -7.450 16 HE22 GLN 2 HE22 GLN 2 0.296 -0.146 -6.485 17 H ALA 3 H ALA 3 5.211 -1.746 -6.935 18 HA ALA 3 HA ALA 3 7.771 -2.502 -7.734 19 HB1 ALA 3 HB1 ALA 3 8.347 -0.141 -7.593 20 HB2 ALA 3 HB2 ALA 3 6.909 0.165 -6.619 21 HB3 ALA 3 HB3 ALA 3 6.745 -0.347 -8.299 22 H LYS 4 H LYS 4 9.843 -2.052 -6.708 23 HA LYS 4 HA LYS 4 9.920 -3.114 -4.068 24 HB2 LYS 4 HB2 LYS 4 12.329 -2.982 -4.250 25 HB3 LYS 4 HB3 LYS 4 11.668 -3.603 -5.755 26 HG2 LYS 4 HG2 LYS 4 12.012 -1.506 -6.851 27 HG3 LYS 4 HG3 LYS 4 12.467 -0.733 -5.329 28 HD2 LYS 4 HD2 LYS 4 14.406 -2.250 -5.170 29 HD3 LYS 4 HD3 LYS 4 13.969 -2.946 -6.732 30 HE2 LYS 4 HE2 LYS 4 14.284 -0.776 -7.799 31 HE3 LYS 4 HE3 LYS 4 14.672 -0.052 -6.238 32 HZ1 LYS 4 HZ1 LYS 4 16.668 -0.560 -7.499 33 HZ2 LYS 4 HZ2 LYS 4 16.230 -2.199 -7.581 34 HZ3 LYS 4 HZ3 LYS 4 16.605 -1.495 -6.089 35 HA PRO 5 HA PRO 5 9.760 0.503 -1.536 36 HB2 PRO 5 HB2 PRO 5 12.014 -0.743 -0.059 37 HB3 PRO 5 HB3 PRO 5 10.445 -0.195 0.538 38 HG2 PRO 5 HG2 PRO 5 11.001 -2.797 0.243 39 HG3 PRO 5 HG3 PRO 5 9.381 -2.148 -0.069 40 HD2 PRO 5 HD2 PRO 5 11.473 -3.018 -2.001 41 HD3 PRO 5 HD3 PRO 5 9.707 -3.108 -2.126 42 H GLN 6 H GLN 6 10.569 2.352 -2.282 43 HA GLN 6 HA GLN 6 13.463 2.745 -2.253 44 HB2 GLN 6 HB2 GLN 6 12.394 2.208 -4.622 45 HB3 GLN 6 HB3 GLN 6 11.905 3.895 -4.535 46 HG2 GLN 6 HG2 GLN 6 13.949 3.809 -5.727 47 HG3 GLN 6 HG3 GLN 6 14.296 4.488 -4.139 48 HE21 GLN 6 HE21 GLN 6 15.471 3.267 -2.650 49 HE22 GLN 6 HE22 GLN 6 16.377 1.872 -3.118 50 H ILE 7 H ILE 7 13.906 5.212 -2.547 51 HA ILE 7 HA ILE 7 11.973 6.587 -0.828 52 HB ILE 7 HB ILE 7 14.732 7.541 -1.597 53 HG12 ILE 7 HG12 ILE 7 15.134 5.495 -0.454 54 HG13 ILE 7 HG13 ILE 7 15.365 6.766 0.738 55 HG21 ILE 7 HG21 ILE 7 14.519 8.961 0.381 56 HG22 ILE 7 HG22 ILE 7 12.892 8.336 0.652 57 HG23 ILE 7 HG23 ILE 7 13.247 9.279 -0.795 58 HD11 ILE 7 HD11 ILE 7 13.234 6.298 1.719 59 HD12 ILE 7 HD12 ILE 7 14.170 4.805 1.589 60 HD13 ILE 7 HD13 ILE 7 12.870 5.131 0.446 61 HA PRO 8 HA PRO 8 10.785 8.796 -4.593 62 HB2 PRO 8 HB2 PRO 8 8.628 9.859 -2.951 63 HB3 PRO 8 HB3 PRO 8 8.527 8.806 -4.364 64 HG2 PRO 8 HG2 PRO 8 7.922 7.969 -1.850 65 HG3 PRO 8 HG3 PRO 8 8.558 6.889 -3.101 66 HD2 PRO 8 HD2 PRO 8 9.983 8.192 -0.816 67 HD3 PRO 8 HD3 PRO 8 10.155 6.546 -1.462 68 H LYS 9 H LYS 9 10.198 11.186 -4.912 69 HA LYS 9 HA LYS 9 11.818 12.776 -3.067 70 HB2 LYS 9 HB2 LYS 9 11.145 13.224 -5.963 71 HB3 LYS 9 HB3 LYS 9 12.119 14.299 -4.979 72 HG2 LYS 9 HG2 LYS 9 13.685 12.414 -4.577 73 HG3 LYS 9 HG3 LYS 9 12.749 11.464 -5.727 74 HD2 LYS 9 HD2 LYS 9 13.253 13.073 -7.490 75 HD3 LYS 9 HD3 LYS 9 14.159 14.062 -6.339 76 HE2 LYS 9 HE2 LYS 9 15.664 12.122 -5.947 77 HE3 LYS 9 HE3 LYS 9 14.814 11.252 -7.223 78 HZ1 LYS 9 HZ1 LYS 9 15.502 12.962 -8.795 79 HZ2 LYS 9 HZ2 LYS 9 16.848 12.260 -8.036 80 HZ3 LYS 9 HZ3 LYS 9 16.312 13.797 -7.557 81 H ASP 10 H ASP 10 8.940 12.010 -2.970 82 HA ASP 10 HA ASP 10 7.874 14.735 -2.618 83 HB2 ASP 10 HB2 ASP 10 6.688 13.416 -4.399 84 HB3 ASP 10 HB3 ASP 10 6.236 12.247 -3.162 85 H LYS 11 H LYS 11 6.660 15.093 -0.699 86 HA LYS 11 HA LYS 11 7.769 13.504 1.459 87 HB2 LYS 11 HB2 LYS 11 6.076 15.935 1.902 88 HB3 LYS 11 HB3 LYS 11 7.407 15.324 2.862 89 HG2 LYS 11 HG2 LYS 11 8.374 17.158 1.906 90 HG3 LYS 11 HG3 LYS 11 8.819 15.912 0.738 91 HD2 LYS 11 HD2 LYS 11 6.835 16.544 -0.612 92 HD3 LYS 11 HD3 LYS 11 6.526 17.860 0.519 93 HE2 LYS 11 HE2 LYS 11 8.726 18.813 -0.011 94 HE3 LYS 11 HE3 LYS 11 9.003 17.510 -1.168 95 HZ1 LYS 11 HZ1 LYS 11 8.235 19.355 -2.395 96 HZ2 LYS 11 HZ2 LYS 11 6.966 19.659 -1.310 97 HZ3 LYS 11 HZ3 LYS 11 6.919 18.285 -2.304 98 H SER 12 H SER 12 4.829 13.733 -0.221 99 HA SER 12 HA SER 12 3.206 12.840 2.032 100 HB2 SER 12 HB2 SER 12 2.245 14.437 0.414 101 HB3 SER 12 HB3 SER 12 2.481 13.267 -0.883 102 HG SER 12 HG SER 12 0.486 13.453 0.966 103 H LYS 13 H LYS 13 5.086 11.574 -0.487 104 HA LYS 13 HA LYS 13 3.763 9.018 -0.661 105 HB2 LYS 13 HB2 LYS 13 6.508 9.867 -1.623 106 HB3 LYS 13 HB3 LYS 13 5.689 8.372 -2.049 107 HG2 LYS 13 HG2 LYS 13 4.536 11.073 -2.672 108 HG3 LYS 13 HG3 LYS 13 5.644 10.236 -3.759 109 HD2 LYS 13 HD2 LYS 13 3.028 9.107 -2.762 110 HD3 LYS 13 HD3 LYS 13 3.255 9.890 -4.328 111 HE2 LYS 13 HE2 LYS 13 4.993 8.183 -4.853 112 HE3 LYS 13 HE3 LYS 13 4.579 7.361 -3.348 113 HZ1 LYS 13 HZ1 LYS 13 2.774 7.827 -5.663 114 HZ2 LYS 13 HZ2 LYS 13 2.296 7.130 -4.192 115 HZ3 LYS 13 HZ3 LYS 13 3.428 6.339 -5.173 116 H VAL 14 H VAL 14 3.715 8.365 1.513 117 HA VAL 14 HA VAL 14 5.922 8.285 3.235 118 HB VAL 14 HB VAL 14 3.515 6.458 3.262 119 HG11 VAL 14 HG11 VAL 14 5.351 5.641 4.654 120 HG12 VAL 14 HG12 VAL 14 3.996 6.191 5.639 121 HG13 VAL 14 HG13 VAL 14 5.429 7.205 5.469 122 HG21 VAL 14 HG21 VAL 14 2.600 8.055 4.911 123 HG22 VAL 14 HG22 VAL 14 2.805 8.771 3.311 124 HG23 VAL 14 HG23 VAL 14 3.964 9.128 4.592 125 H ALA 15 H ALA 15 7.758 7.341 2.618 126 HA ALA 15 HA ALA 15 7.755 4.845 1.158 127 HB1 ALA 15 HB1 ALA 15 10.067 6.482 2.201 128 HB2 ALA 15 HB2 ALA 15 9.363 6.598 0.587 129 HB3 ALA 15 HB3 ALA 15 10.176 5.117 1.088 130 H GLY 16 H GLY 16 8.148 5.933 4.425 131 HA2 GLY 16 HA2 GLY 16 8.351 3.201 5.330 132 HA3 GLY 16 HA3 GLY 16 9.788 4.166 5.622 133 H TYR 17 H TYR 17 8.848 3.213 7.774 134 HA TYR 17 HA TYR 17 7.407 5.399 9.108 135 HB2 TYR 17 HB2 TYR 17 6.389 2.784 8.639 136 HB3 TYR 17 HB3 TYR 17 6.780 2.880 10.351 137 HD1 TYR 17 HD1 TYR 17 4.798 4.440 7.649 138 HD2 TYR 17 HD2 TYR 17 5.434 4.134 11.842 139 HE1 TYR 17 HE1 TYR 17 2.694 5.653 8.048 140 HE2 TYR 17 HE2 TYR 17 3.333 5.340 12.254 141 HH TYR 17 HH TYR 17 1.839 6.842 11.172 142 H ILE 18 H ILE 18 8.378 6.004 10.984 143 HA ILE 18 HA ILE 18 10.617 4.341 11.898 144 HB ILE 18 HB ILE 18 11.252 6.621 11.303 145 HG12 ILE 18 HG12 ILE 18 12.330 7.280 13.450 146 HG13 ILE 18 HG13 ILE 18 11.344 6.077 14.276 147 HG21 ILE 18 HG21 ILE 18 10.467 8.548 12.613 148 HG22 ILE 18 HG22 ILE 18 9.307 7.499 13.430 149 HG23 ILE 18 HG23 ILE 18 9.169 7.784 11.695 150 HD11 ILE 18 HD11 ILE 18 13.379 5.514 12.129 151 HD12 ILE 18 HD12 ILE 18 12.394 4.312 12.964 152 HD13 ILE 18 HD13 ILE 18 13.586 5.252 13.861 153 H GLU 19 H GLU 19 10.418 3.233 13.701 154 HA GLU 19 HA GLU 19 8.479 4.115 15.707 155 HB2 GLU 19 HB2 GLU 19 8.636 1.373 14.470 156 HB3 GLU 19 HB3 GLU 19 7.825 1.680 15.999 157 HG2 GLU 19 HG2 GLU 19 6.339 3.283 14.850 158 HG3 GLU 19 HG3 GLU 19 7.124 2.876 13.324 159 H ILE 20 H ILE 20 9.422 4.337 17.566 160 HA ILE 20 HA ILE 20 11.443 2.359 18.396 161 HB ILE 20 HB ILE 20 11.390 5.289 19.153 162 HG12 ILE 20 HG12 ILE 20 13.402 3.783 17.462 163 HG13 ILE 20 HG13 ILE 20 12.145 4.834 16.818 164 HG21 ILE 20 HG21 ILE 20 13.336 3.104 19.886 165 HG22 ILE 20 HG22 ILE 20 12.187 3.887 20.971 166 HG23 ILE 20 HG23 ILE 20 13.520 4.813 20.280 167 HD11 ILE 20 HD11 ILE 20 14.289 5.965 16.903 168 HD12 ILE 20 HD12 ILE 20 14.382 5.675 18.639 169 HD13 ILE 20 HD13 ILE 20 13.127 6.729 17.990 170 HA PRO 21 HA PRO 21 7.922 1.720 21.149 171 HB2 PRO 21 HB2 PRO 21 8.993 -0.489 22.373 172 HB3 PRO 21 HB3 PRO 21 8.133 -0.531 20.832 173 HG2 PRO 21 HG2 PRO 21 11.078 -0.488 21.358 174 HG3 PRO 21 HG3 PRO 21 10.165 -1.446 20.177 175 HD2 PRO 21 HD2 PRO 21 11.520 0.758 19.457 176 HD3 PRO 21 HD3 PRO 21 9.974 0.329 18.699 177 H ASP 22 H ASP 22 11.262 2.064 22.032 178 HA ASP 22 HA ASP 22 10.983 2.177 24.834 179 HB2 ASP 22 HB2 ASP 22 13.028 3.436 22.997 180 HB3 ASP 22 HB3 ASP 22 13.154 3.440 24.752 181 H ALA 23 H ALA 23 10.397 4.501 22.318 182 HA ALA 23 HA ALA 23 9.944 6.585 24.351 183 HB1 ALA 23 HB1 ALA 23 11.938 7.054 23.044 184 HB2 ALA 23 HB2 ALA 23 10.673 8.235 22.705 185 HB3 ALA 23 HB3 ALA 23 11.002 6.940 21.555 186 H ASP 24 H ASP 24 8.338 4.584 22.406 187 HA ASP 24 HA ASP 24 6.265 4.499 21.483 188 HB2 ASP 24 HB2 ASP 24 5.705 5.676 23.670 189 HB3 ASP 24 HB3 ASP 24 5.728 7.186 22.764 190 H ILE 25 H ILE 25 8.531 5.874 20.181 191 HA ILE 25 HA ILE 25 7.459 8.030 18.622 192 HB ILE 25 HB ILE 25 9.976 6.385 18.280 193 HG12 ILE 25 HG12 ILE 25 9.516 9.155 19.410 194 HG13 ILE 25 HG13 ILE 25 9.900 7.713 20.343 195 HG21 ILE 25 HG21 ILE 25 9.084 8.884 16.842 196 HG22 ILE 25 HG22 ILE 25 9.385 7.295 16.137 197 HG23 ILE 25 HG23 ILE 25 10.724 8.237 16.795 198 HD11 ILE 25 HD11 ILE 25 12.069 7.574 19.248 199 HD12 ILE 25 HD12 ILE 25 11.849 9.126 20.056 200 HD13 ILE 25 HD13 ILE 25 11.685 9.013 18.303 201 H LYS 26 H LYS 26 5.969 7.686 17.087 202 HA LYS 26 HA LYS 26 6.340 5.485 15.212 203 HB2 LYS 26 HB2 LYS 26 3.850 5.868 16.879 204 HB3 LYS 26 HB3 LYS 26 3.898 4.881 15.426 205 HG2 LYS 26 HG2 LYS 26 5.410 3.343 16.418 206 HG3 LYS 26 HG3 LYS 26 5.697 4.414 17.789 207 HD2 LYS 26 HD2 LYS 26 4.228 2.591 18.428 208 HD3 LYS 26 HD3 LYS 26 3.365 4.127 18.489 209 HE2 LYS 26 HE2 LYS 26 2.311 3.649 16.358 210 HE3 LYS 26 HE3 LYS 26 3.238 2.157 16.209 211 HZ1 LYS 26 HZ1 LYS 26 1.351 2.697 18.436 212 HZ2 LYS 26 HZ2 LYS 26 2.099 1.223 18.051 213 HZ3 LYS 26 HZ3 LYS 26 0.914 1.868 17.020 214 H GLU 27 H GLU 27 6.722 6.926 13.572 215 HA GLU 27 HA GLU 27 4.350 8.177 12.482 216 HB2 GLU 27 HB2 GLU 27 5.456 10.365 12.117 217 HB3 GLU 27 HB3 GLU 27 5.161 10.013 13.809 218 HG2 GLU 27 HG2 GLU 27 7.509 9.396 14.084 219 HG3 GLU 27 HG3 GLU 27 7.797 9.756 12.381 220 HA PRO 28 HA PRO 28 6.218 7.001 8.634 221 HB2 PRO 28 HB2 PRO 28 5.315 8.979 6.986 222 HB3 PRO 28 HB3 PRO 28 4.305 7.638 7.542 223 HG2 PRO 28 HG2 PRO 28 4.486 10.439 8.594 224 HG3 PRO 28 HG3 PRO 28 3.047 9.446 8.296 225 HD2 PRO 28 HD2 PRO 28 4.066 9.756 10.766 226 HD3 PRO 28 HD3 PRO 28 3.328 8.228 10.244 227 H VAL 29 H VAL 29 7.915 7.535 7.213 228 HA VAL 29 HA VAL 29 9.533 9.823 8.082 229 HB VAL 29 HB VAL 29 10.313 7.514 6.291 230 HG11 VAL 29 HG11 VAL 29 11.577 9.546 5.801 231 HG12 VAL 29 HG12 VAL 29 12.603 8.326 6.555 232 HG13 VAL 29 HG13 VAL 29 12.012 9.691 7.505 233 HG21 VAL 29 HG21 VAL 29 11.662 6.760 8.201 234 HG22 VAL 29 HG22 VAL 29 9.936 6.767 8.564 235 HG23 VAL 29 HG23 VAL 29 10.973 8.056 9.177 236 H TYR 30 H TYR 30 9.804 11.525 6.811 237 HA TYR 30 HA TYR 30 8.230 11.563 4.360 238 HB2 TYR 30 HB2 TYR 30 9.459 13.839 5.927 239 HB3 TYR 30 HB3 TYR 30 8.438 14.018 4.503 240 HD1 TYR 30 HD1 TYR 30 6.249 12.228 4.896 241 HD2 TYR 30 HD2 TYR 30 8.308 14.563 7.794 242 HE1 TYR 30 HE1 TYR 30 4.248 12.208 6.318 243 HE2 TYR 30 HE2 TYR 30 6.308 14.554 9.227 244 HH TYR 30 HH TYR 30 3.921 14.241 9.058 245 HA PRO 31 HA PRO 31 12.102 11.095 2.114 246 HB2 PRO 31 HB2 PRO 31 10.213 11.069 -0.151 247 HB3 PRO 31 HB3 PRO 31 11.426 9.874 0.315 248 HG2 PRO 31 HG2 PRO 31 8.816 9.400 0.638 249 HG3 PRO 31 HG3 PRO 31 10.015 8.828 1.814 250 HD2 PRO 31 HD2 PRO 31 8.186 11.198 1.971 251 HD3 PRO 31 HD3 PRO 31 8.620 10.022 3.237 252 H GLY 32 H GLY 32 13.304 12.535 0.964 253 HA2 GLY 32 HA2 GLY 32 12.955 14.376 -0.820 254 HA3 GLY 32 HA3 GLY 32 12.060 15.146 0.483 255 HA PRO 33 HA PRO 33 16.606 16.188 0.852 256 HB2 PRO 33 HB2 PRO 33 16.558 18.778 0.160 257 HB3 PRO 33 HB3 PRO 33 16.642 17.497 -1.057 258 HG2 PRO 33 HG2 PRO 33 14.282 19.099 -0.152 259 HG3 PRO 33 HG3 PRO 33 14.740 18.612 -1.795 260 HD2 PRO 33 HD2 PRO 33 12.850 17.322 -0.267 261 HD3 PRO 33 HD3 PRO 33 13.764 16.556 -1.581 262 H ALA 34 H ALA 34 17.479 17.064 2.677 263 HA ALA 34 HA ALA 34 15.838 17.741 4.850 264 HB1 ALA 34 HB1 ALA 34 18.779 18.278 4.448 265 HB2 ALA 34 HB2 ALA 34 18.081 16.813 5.136 266 HB3 ALA 34 HB3 ALA 34 17.928 18.350 5.990 267 H THR 35 H THR 35 14.524 19.452 4.599 268 HA THR 35 HA THR 35 15.776 22.070 4.162 269 HB THR 35 HB THR 35 13.594 22.754 3.068 270 HG1 THR 35 HG1 THR 35 13.239 19.947 2.694 271 HG21 THR 35 HG21 THR 35 15.621 22.348 1.758 272 HG22 THR 35 HG22 THR 35 14.193 21.794 0.885 273 HG23 THR 35 HG23 THR 35 15.241 20.627 1.692 274 HA PRO 36 HA PRO 36 14.193 23.263 8.053 275 HB2 PRO 36 HB2 PRO 36 13.283 25.825 7.397 276 HB3 PRO 36 HB3 PRO 36 14.917 25.399 7.910 277 HG2 PRO 36 HG2 PRO 36 13.846 25.845 5.168 278 HG3 PRO 36 HG3 PRO 36 15.443 26.236 5.829 279 HD2 PRO 36 HD2 PRO 36 15.067 24.139 4.199 280 HD3 PRO 36 HD3 PRO 36 16.224 24.075 5.546 281 H GLU 37 H GLU 37 12.063 24.085 5.317 282 HA GLU 37 HA GLU 37 9.715 24.341 6.864 283 HB2 GLU 37 HB2 GLU 37 9.920 25.289 4.613 284 HB3 GLU 37 HB3 GLU 37 10.011 23.671 3.931 285 HG2 GLU 37 HG2 GLU 37 7.753 23.205 4.623 286 HG3 GLU 37 HG3 GLU 37 7.652 24.761 5.444 287 H GLN 38 H GLN 38 11.109 21.603 5.098 288 HA GLN 38 HA GLN 38 8.866 19.904 5.560 289 HB2 GLN 38 HB2 GLN 38 10.459 19.660 3.649 290 HB3 GLN 38 HB3 GLN 38 11.680 19.115 4.792 291 HG2 GLN 38 HG2 GLN 38 10.421 17.168 5.329 292 HG3 GLN 38 HG3 GLN 38 9.026 17.758 4.428 293 HE21 GLN 38 HE21 GLN 38 10.505 15.272 4.138 294 HE22 GLN 38 HE22 GLN 38 11.044 15.232 2.496 295 H LEU 39 H LEU 39 12.016 20.336 7.102 296 HA LEU 39 HA LEU 39 11.768 18.162 8.915 297 HB2 LEU 39 HB2 LEU 39 13.418 20.681 9.153 298 HB3 LEU 39 HB3 LEU 39 13.609 19.247 10.143 299 HG LEU 39 HG LEU 39 14.094 19.415 7.167 300 HD11 LEU 39 HD11 LEU 39 16.437 19.065 7.771 301 HD12 LEU 39 HD12 LEU 39 16.005 19.128 9.479 302 HD13 LEU 39 HD13 LEU 39 15.803 20.557 8.465 303 HD21 LEU 39 HD21 LEU 39 13.261 17.225 7.773 304 HD22 LEU 39 HD22 LEU 39 14.427 17.118 9.092 305 HD23 LEU 39 HD23 LEU 39 14.988 17.136 7.419 306 H ASN 40 H ASN 40 10.300 21.215 8.785 307 HA ASN 40 HA ASN 40 9.826 21.470 11.629 308 HB2 ASN 40 HB2 ASN 40 10.109 23.443 10.107 309 HB3 ASN 40 HB3 ASN 40 8.585 23.013 9.339 310 HD21 ASN 40 HD21 ASN 40 7.616 24.937 9.904 311 HD22 ASN 40 HD22 ASN 40 7.147 25.302 11.526 312 H ARG 41 H ARG 41 8.511 19.687 9.107 313 HA ARG 41 HA ARG 41 5.869 19.558 10.384 314 HB2 ARG 41 HB2 ARG 41 6.805 18.734 7.641 315 HB3 ARG 41 HB3 ARG 41 5.242 18.264 8.290 316 HG2 ARG 41 HG2 ARG 41 4.749 20.703 8.605 317 HG3 ARG 41 HG3 ARG 41 6.223 21.036 7.690 318 HD2 ARG 41 HD2 ARG 41 4.174 21.071 6.293 319 HD3 ARG 41 HD3 ARG 41 5.356 19.869 5.772 320 HE ARG 41 HE ARG 41 3.887 18.280 7.169 321 HH11 ARG 41 HH11 ARG 41 2.689 21.030 5.380 322 HH12 ARG 41 HH12 ARG 41 1.132 20.315 5.066 323 HH21 ARG 41 HH21 ARG 41 1.845 17.325 6.788 324 HH22 ARG 41 HH22 ARG 41 0.644 18.214 5.883 325 H GLY 42 H GLY 42 8.768 17.781 9.905 326 HA2 GLY 42 HA2 GLY 42 8.190 15.804 11.749 327 HA3 GLY 42 HA3 GLY 42 7.709 15.160 10.183 328 H VAL 43 H VAL 43 9.433 13.574 10.790 329 HA VAL 43 HA VAL 43 12.149 14.557 10.508 330 HB VAL 43 HB VAL 43 11.655 12.784 12.149 331 HG11 VAL 43 HG11 VAL 43 11.066 11.077 9.747 332 HG12 VAL 43 HG12 VAL 43 9.909 11.588 10.978 333 HG13 VAL 43 HG13 VAL 43 11.228 10.495 11.403 334 HG21 VAL 43 HG21 VAL 43 13.893 12.939 11.434 335 HG22 VAL 43 HG22 VAL 43 13.526 12.109 9.926 336 HG23 VAL 43 HG23 VAL 43 13.480 11.222 11.447 337 H SER 44 H SER 44 13.452 14.263 8.751 338 HA SER 44 HA SER 44 12.355 12.865 6.419 339 HB2 SER 44 HB2 SER 44 13.372 15.721 6.365 340 HB3 SER 44 HB3 SER 44 12.854 14.783 4.963 341 HG SER 44 HG SER 44 10.982 14.811 6.946 342 H PHE 45 H PHE 45 14.069 12.854 4.608 343 HA PHE 45 HA PHE 45 16.515 11.890 5.788 344 HB2 PHE 45 HB2 PHE 45 15.463 11.939 2.968 345 HB3 PHE 45 HB3 PHE 45 17.095 11.398 3.350 346 HD1 PHE 45 HD1 PHE 45 17.008 9.751 5.561 347 HD2 PHE 45 HD2 PHE 45 13.999 10.220 2.593 348 HE1 PHE 45 HE1 PHE 45 16.152 7.505 6.083 349 HE2 PHE 45 HE2 PHE 45 13.138 7.972 3.104 350 HZ PHE 45 HZ PHE 45 14.213 6.616 4.859 351 H ALA 46 H ALA 46 18.588 12.419 4.535 352 HA ALA 46 HA ALA 46 18.809 15.367 4.342 353 HB1 ALA 46 HB1 ALA 46 20.732 13.397 5.563 354 HB2 ALA 46 HB2 ALA 46 19.706 14.531 6.450 355 HB3 ALA 46 HB3 ALA 46 21.003 15.137 5.418 356 H GLU 47 H GLU 47 19.809 12.254 3.200 357 HA GLU 47 HA GLU 47 22.091 13.243 1.754 358 HB2 GLU 47 HB2 GLU 47 22.209 10.800 1.010 359 HB3 GLU 47 HB3 GLU 47 22.438 11.149 2.717 360 HG2 GLU 47 HG2 GLU 47 19.754 10.378 1.640 361 HG3 GLU 47 HG3 GLU 47 20.961 9.168 2.052 362 H GLU 48 H GLU 48 22.293 11.935 -0.508 363 HA GLU 48 HA GLU 48 20.278 13.271 -2.166 364 HB2 GLU 48 HB2 GLU 48 21.965 13.164 -3.942 365 HB3 GLU 48 HB3 GLU 48 22.619 13.927 -2.497 366 HG2 GLU 48 HG2 GLU 48 23.709 11.821 -1.885 367 HG3 GLU 48 HG3 GLU 48 23.068 11.074 -3.347 368 H ASN 49 H ASN 49 21.240 10.163 -1.191 369 HA ASN 49 HA ASN 49 20.569 8.897 -3.726 370 HB2 ASN 49 HB2 ASN 49 22.593 8.224 -2.371 371 HB3 ASN 49 HB3 ASN 49 21.476 7.537 -1.191 372 HD21 ASN 49 HD21 ASN 49 22.713 7.310 -4.434 373 HD22 ASN 49 HD22 ASN 49 22.132 5.709 -4.750 374 H GLU 50 H GLU 50 18.806 7.705 -4.093 375 HA GLU 50 HA GLU 50 16.603 8.095 -2.258 376 HB2 GLU 50 HB2 GLU 50 16.523 6.733 -4.946 377 HB3 GLU 50 HB3 GLU 50 15.192 7.481 -4.079 378 HG2 GLU 50 HG2 GLU 50 15.582 9.158 -5.522 379 HG3 GLU 50 HG3 GLU 50 16.789 9.609 -4.321 380 H SER 51 H SER 51 18.682 6.094 -1.553 381 HA SER 51 HA SER 51 17.035 3.654 -1.610 382 HB2 SER 51 HB2 SER 51 19.973 3.904 -0.929 383 HB3 SER 51 HB3 SER 51 19.058 2.406 -1.085 384 HG SER 51 HG SER 51 19.987 4.165 -3.049 385 H LEU 52 H LEU 52 17.086 2.311 0.294 386 HA LEU 52 HA LEU 52 17.000 3.962 2.721 387 HB2 LEU 52 HB2 LEU 52 15.020 2.412 3.318 388 HB3 LEU 52 HB3 LEU 52 14.757 3.728 2.188 389 HG LEU 52 HG LEU 52 15.156 1.992 0.339 390 HD11 LEU 52 HD11 LEU 52 14.605 0.123 2.633 391 HD12 LEU 52 HD12 LEU 52 16.087 0.213 1.682 392 HD13 LEU 52 HD13 LEU 52 14.583 -0.314 0.926 393 HD21 LEU 52 HD21 LEU 52 12.699 1.768 2.064 394 HD22 LEU 52 HD22 LEU 52 12.830 1.308 0.368 395 HD23 LEU 52 HD23 LEU 52 12.992 2.999 0.835 396 H ASP 53 H ASP 53 18.421 1.457 1.213 397 HA ASP 53 HA ASP 53 19.462 0.474 3.741 398 HB2 ASP 53 HB2 ASP 53 17.550 -1.036 3.205 399 HB3 ASP 53 HB3 ASP 53 18.349 -1.455 1.692 400 H ASP 54 H ASP 54 20.829 2.093 2.142 401 HA ASP 54 HA ASP 54 22.611 0.409 0.560 402 HB2 ASP 54 HB2 ASP 54 23.782 2.439 -0.062 403 HB3 ASP 54 HB3 ASP 54 22.055 2.710 -0.253 404 H GLN 55 H GLN 55 23.042 2.729 3.251 405 HA GLN 55 HA GLN 55 24.273 0.958 5.015 406 HB2 GLN 55 HB2 GLN 55 26.057 1.899 2.947 407 HB3 GLN 55 HB3 GLN 55 26.582 2.487 4.519 408 HG2 GLN 55 HG2 GLN 55 26.532 0.182 5.375 409 HG3 GLN 55 HG3 GLN 55 26.079 -0.384 3.769 410 HE21 GLN 55 HE21 GLN 55 28.326 2.221 4.300 411 HE22 GLN 55 HE22 GLN 55 29.739 1.374 3.771 412 H ASN 56 H ASN 56 24.958 4.281 3.894 413 HA ASN 56 HA ASN 56 24.807 5.100 6.700 414 HB2 ASN 56 HB2 ASN 56 26.021 7.198 5.779 415 HB3 ASN 56 HB3 ASN 56 26.918 5.704 5.989 416 HD21 ASN 56 HD21 ASN 56 24.698 6.596 3.356 417 HD22 ASN 56 HD22 ASN 56 25.898 6.519 2.110 418 H ILE 57 H ILE 57 22.742 5.523 7.072 419 HA ILE 57 HA ILE 57 21.365 7.468 5.356 420 HB ILE 57 HB ILE 57 20.346 5.535 7.440 421 HG12 ILE 57 HG12 ILE 57 20.823 4.544 5.264 422 HG13 ILE 57 HG13 ILE 57 19.085 4.582 5.552 423 HG21 ILE 57 HG21 ILE 57 18.836 7.703 6.002 424 HG22 ILE 57 HG22 ILE 57 19.045 7.500 7.746 425 HG23 ILE 57 HG23 ILE 57 18.068 6.350 6.833 426 HD11 ILE 57 HD11 ILE 57 20.634 6.502 3.823 427 HD12 ILE 57 HD12 ILE 57 18.893 6.543 4.110 428 HD13 ILE 57 HD13 ILE 57 19.613 5.177 3.261 429 H SER 58 H SER 58 20.743 9.440 6.147 430 HA SER 58 HA SER 58 21.277 9.980 8.999 431 HB2 SER 58 HB2 SER 58 23.037 10.970 7.547 432 HB3 SER 58 HB3 SER 58 21.792 11.877 6.691 433 HG SER 58 HG SER 58 21.309 12.931 8.653 434 H ILE 59 H ILE 59 19.185 9.920 9.705 435 HA ILE 59 HA ILE 59 17.126 11.357 8.215 436 HB ILE 59 HB ILE 59 16.446 10.060 10.796 437 HG12 ILE 59 HG12 ILE 59 17.055 8.413 8.329 438 HG13 ILE 59 HG13 ILE 59 18.070 8.465 9.765 439 HG21 ILE 59 HG21 ILE 59 14.827 11.151 9.238 440 HG22 ILE 59 HG22 ILE 59 14.439 9.480 9.638 441 HG23 ILE 59 HG23 ILE 59 15.165 9.867 8.075 442 HD11 ILE 59 HD11 ILE 59 16.672 6.477 9.734 443 HD12 ILE 59 HD12 ILE 59 15.225 7.483 9.654 444 HD13 ILE 59 HD13 ILE 59 16.250 7.524 11.091 445 H ALA 60 H ALA 60 16.713 13.424 8.699 446 HA ALA 60 HA ALA 60 17.590 14.440 11.325 447 HB1 ALA 60 HB1 ALA 60 17.678 16.634 10.290 448 HB2 ALA 60 HB2 ALA 60 17.029 15.972 8.790 449 HB3 ALA 60 HB3 ALA 60 18.623 15.475 9.356 450 H GLY 61 H GLY 61 16.199 15.389 12.714 451 HA2 GLY 61 HA2 GLY 61 13.430 15.898 11.807 452 HA3 GLY 61 HA3 GLY 61 13.739 14.996 13.285 453 H HIS 62 H HIS 62 12.556 17.803 12.551 454 HA HIS 62 HA HIS 62 14.045 19.248 14.638 455 HB2 HIS 62 HB2 HIS 62 14.771 19.901 12.280 456 HB3 HIS 62 HB3 HIS 62 13.163 20.586 12.079 457 HD1 HIS 62 HD1 HIS 62 12.755 22.893 13.046 458 HD2 HIS 62 HD2 HIS 62 16.365 21.225 14.268 459 HE1 HIS 62 HE1 HIS 62 14.018 24.753 14.169 460 H THR 63 H THR 63 11.311 17.902 14.340 461 HA THR 63 HA THR 63 9.492 20.169 14.490 462 HB THR 63 HB THR 63 8.684 17.319 14.985 463 HG1 THR 63 HG1 THR 63 9.660 18.489 12.623 464 HG21 THR 63 HG21 THR 63 7.007 19.120 15.205 465 HG22 THR 63 HG22 THR 63 6.638 18.041 13.859 466 HG23 THR 63 HG23 THR 63 7.349 19.625 13.551 467 H PHE 64 H PHE 64 11.598 19.338 16.594 468 HA PHE 64 HA PHE 64 9.885 18.952 18.921 469 HB2 PHE 64 HB2 PHE 64 11.910 17.588 18.791 470 HB3 PHE 64 HB3 PHE 64 12.903 19.036 18.669 471 HD1 PHE 64 HD1 PHE 64 10.506 17.311 20.919 472 HD2 PHE 64 HD2 PHE 64 13.769 20.016 20.586 473 HE1 PHE 64 HE1 PHE 64 10.707 17.363 23.369 474 HE2 PHE 64 HE2 PHE 64 13.979 20.073 23.036 475 HZ PHE 64 HZ PHE 64 12.448 18.745 24.431 476 H ILE 65 H ILE 65 8.859 20.943 19.117 477 HA ILE 65 HA ILE 65 10.336 22.833 20.633 478 HB ILE 65 HB ILE 65 10.988 23.624 18.460 479 HG12 ILE 65 HG12 ILE 65 10.158 25.966 18.594 480 HG13 ILE 65 HG13 ILE 65 8.938 25.438 19.747 481 HG21 ILE 65 HG21 ILE 65 9.405 24.458 16.813 482 HG22 ILE 65 HG22 ILE 65 8.065 23.935 17.832 483 HG23 ILE 65 HG23 ILE 65 9.160 22.740 17.131 484 HD11 ILE 65 HD11 ILE 65 11.919 25.318 20.149 485 HD12 ILE 65 HD12 ILE 65 10.698 24.781 21.303 486 HD13 ILE 65 HD13 ILE 65 10.811 26.486 20.870 487 H ASP 66 H ASP 66 7.313 22.440 18.796 488 HA ASP 66 HA ASP 66 5.921 23.974 20.857 489 HB2 ASP 66 HB2 ASP 66 5.564 24.490 18.431 490 HB3 ASP 66 HB3 ASP 66 4.830 22.900 18.247 491 H ARG 67 H ARG 67 6.268 20.740 19.697 492 HA ARG 67 HA ARG 67 3.976 19.882 21.327 493 HB2 ARG 67 HB2 ARG 67 5.180 18.749 18.819 494 HB3 ARG 67 HB3 ARG 67 4.188 17.755 19.877 495 HG2 ARG 67 HG2 ARG 67 3.276 20.356 18.675 496 HG3 ARG 67 HG3 ARG 67 2.957 18.764 17.975 497 HD2 ARG 67 HD2 ARG 67 1.731 18.092 19.925 498 HD3 ARG 67 HD3 ARG 67 2.171 19.577 20.766 499 HE ARG 67 HE ARG 67 0.847 20.710 18.910 500 HH11 ARG 67 HH11 ARG 67 0.165 17.434 19.963 501 HH12 ARG 67 HH12 ARG 67 -1.552 17.571 19.707 502 HH21 ARG 67 HH21 ARG 67 -1.397 20.893 18.568 503 HH22 ARG 67 HH22 ARG 67 -2.445 19.558 18.939 504 HA PRO 68 HA PRO 68 7.033 17.570 23.683 505 HB2 PRO 68 HB2 PRO 68 5.053 17.145 25.682 506 HB3 PRO 68 HB3 PRO 68 6.387 18.302 25.727 507 HG2 PRO 68 HG2 PRO 68 3.695 18.969 25.607 508 HG3 PRO 68 HG3 PRO 68 5.034 20.044 25.171 509 HD2 PRO 68 HD2 PRO 68 3.255 18.414 23.407 510 HD3 PRO 68 HD3 PRO 68 3.929 20.038 23.143 511 H ASN 69 H ASN 69 4.289 16.721 22.075 512 HA ASN 69 HA ASN 69 4.545 13.893 22.850 513 HB2 ASN 69 HB2 ASN 69 2.331 15.330 23.385 514 HB3 ASN 69 HB3 ASN 69 1.957 14.846 21.733 515 HD21 ASN 69 HD21 ASN 69 3.775 13.054 24.155 516 HD22 ASN 69 HD22 ASN 69 2.672 11.724 24.262 517 H TYR 70 H TYR 70 6.167 14.759 20.937 518 HA TYR 70 HA TYR 70 4.942 13.720 18.479 519 HB2 TYR 70 HB2 TYR 70 5.449 16.351 18.724 520 HB3 TYR 70 HB3 TYR 70 7.034 15.810 18.182 521 HD1 TYR 70 HD1 TYR 70 3.426 15.611 17.307 522 HD2 TYR 70 HD2 TYR 70 7.434 15.512 15.898 523 HE1 TYR 70 HE1 TYR 70 2.603 15.585 14.990 524 HE2 TYR 70 HE2 TYR 70 6.624 15.483 13.575 525 HH TYR 70 HH TYR 70 4.643 14.901 12.324 526 H GLN 71 H GLN 71 7.169 13.786 16.874 527 HA GLN 71 HA GLN 71 8.224 11.385 17.018 528 HB2 GLN 71 HB2 GLN 71 10.315 12.329 15.880 529 HB3 GLN 71 HB3 GLN 71 8.755 12.618 15.126 530 HG2 GLN 71 HG2 GLN 71 8.721 14.874 16.086 531 HG3 GLN 71 HG3 GLN 71 10.295 14.576 16.817 532 HE21 GLN 71 HE21 GLN 71 9.392 13.415 13.641 533 HE22 GLN 71 HE22 GLN 71 10.463 14.459 12.763 534 H PHE 72 H PHE 72 10.688 13.787 17.905 535 HA PHE 72 HA PHE 72 11.885 11.650 19.497 536 HB2 PHE 72 HB2 PHE 72 13.122 14.216 18.489 537 HB3 PHE 72 HB3 PHE 72 13.976 12.878 19.251 538 HD1 PHE 72 HD1 PHE 72 13.550 10.530 18.064 539 HD2 PHE 72 HD2 PHE 72 13.158 14.334 16.194 540 HE1 PHE 72 HE1 PHE 72 13.870 9.478 15.866 541 HE2 PHE 72 HE2 PHE 72 13.467 13.282 13.988 542 HZ PHE 72 HZ PHE 72 13.830 10.850 13.827 543 H THR 73 H THR 73 9.711 13.280 20.550 544 HA THR 73 HA THR 73 10.869 15.125 22.427 545 HB THR 73 HB THR 73 8.590 15.307 23.345 546 HG1 THR 73 HG1 THR 73 7.819 13.414 21.344 547 HG21 THR 73 HG21 THR 73 9.209 16.657 21.401 548 HG22 THR 73 HG22 THR 73 7.505 16.203 21.343 549 HG23 THR 73 HG23 THR 73 8.677 15.361 20.329 550 H ASN 74 H ASN 74 9.569 11.849 22.536 551 HA ASN 74 HA ASN 74 10.240 11.638 25.373 552 HB2 ASN 74 HB2 ASN 74 8.015 10.843 24.411 553 HB3 ASN 74 HB3 ASN 74 8.916 9.547 23.638 554 HD21 ASN 74 HD21 ASN 74 7.835 7.956 24.781 555 HD22 ASN 74 HD22 ASN 74 8.115 7.675 26.465 556 H LEU 75 H LEU 75 12.048 11.592 22.849 557 HA LEU 75 HA LEU 75 13.156 9.015 22.580 558 HB2 LEU 75 HB2 LEU 75 13.386 10.910 20.976 559 HB3 LEU 75 HB3 LEU 75 14.518 11.655 22.088 560 HG LEU 75 HG LEU 75 16.084 9.826 21.793 561 HD11 LEU 75 HD11 LEU 75 15.665 8.026 20.210 562 HD12 LEU 75 HD12 LEU 75 14.050 8.659 19.895 563 HD13 LEU 75 HD13 LEU 75 14.447 8.018 21.489 564 HD21 LEU 75 HD21 LEU 75 16.660 10.200 19.470 565 HD22 LEU 75 HD22 LEU 75 16.124 11.705 20.218 566 HD23 LEU 75 HD23 LEU 75 15.039 10.818 19.150 567 H LYS 76 H LYS 76 13.441 11.329 25.033 568 HA LYS 76 HA LYS 76 15.960 10.756 26.129 569 HB2 LYS 76 HB2 LYS 76 14.932 11.618 28.244 570 HB3 LYS 76 HB3 LYS 76 14.718 12.680 26.856 571 HG2 LYS 76 HG2 LYS 76 12.442 11.751 26.553 572 HG3 LYS 76 HG3 LYS 76 12.669 10.804 28.022 573 HD2 LYS 76 HD2 LYS 76 12.895 12.814 29.329 574 HD3 LYS 76 HD3 LYS 76 12.823 13.807 27.872 575 HE2 LYS 76 HE2 LYS 76 10.548 12.978 27.446 576 HE3 LYS 76 HE3 LYS 76 10.626 12.034 28.931 577 HZ1 LYS 76 HZ1 LYS 76 9.447 14.154 29.194 578 HZ2 LYS 76 HZ2 LYS 76 10.874 14.987 28.797 579 HZ3 LYS 76 HZ3 LYS 76 10.807 14.039 30.202 580 H ALA 77 H ALA 77 13.004 8.968 26.096 581 HA ALA 77 HA ALA 77 13.633 7.311 28.369 582 HB1 ALA 77 HB1 ALA 77 11.316 7.826 27.772 583 HB2 ALA 77 HB2 ALA 77 11.619 6.088 27.778 584 HB3 ALA 77 HB3 ALA 77 11.520 6.959 26.249 585 H ALA 78 H ALA 78 14.675 7.408 25.185 586 HA ALA 78 HA ALA 78 15.048 4.537 24.919 587 HB1 ALA 78 HB1 ALA 78 15.955 5.035 22.727 588 HB2 ALA 78 HB2 ALA 78 15.928 6.762 23.083 589 HB3 ALA 78 HB3 ALA 78 14.416 5.866 22.946 590 H LYS 79 H LYS 79 16.904 3.491 25.281 591 HA LYS 79 HA LYS 79 19.141 5.079 26.307 592 HB2 LYS 79 HB2 LYS 79 19.925 2.882 27.282 593 HB3 LYS 79 HB3 LYS 79 18.470 3.558 27.976 594 HG2 LYS 79 HG2 LYS 79 18.275 1.515 25.809 595 HG3 LYS 79 HG3 LYS 79 18.615 1.018 27.465 596 HD2 LYS 79 HD2 LYS 79 16.561 2.386 28.117 597 HD3 LYS 79 HD3 LYS 79 16.186 2.425 26.394 598 HE2 LYS 79 HE2 LYS 79 16.607 -0.098 27.989 599 HE3 LYS 79 HE3 LYS 79 15.031 0.613 27.655 600 HZ1 LYS 79 HZ1 LYS 79 15.571 -1.174 26.120 601 HZ2 LYS 79 HZ2 LYS 79 16.949 -0.344 25.595 602 HZ3 LYS 79 HZ3 LYS 79 15.403 0.302 25.304 603 H LYS 80 H LYS 80 21.238 3.552 26.122 604 HA LYS 80 HA LYS 80 21.944 3.700 23.365 605 HB2 LYS 80 HB2 LYS 80 24.137 3.202 24.028 606 HB3 LYS 80 HB3 LYS 80 23.463 4.022 25.428 607 HG2 LYS 80 HG2 LYS 80 23.626 1.030 25.159 608 HG3 LYS 80 HG3 LYS 80 24.846 2.020 25.950 609 HD2 LYS 80 HD2 LYS 80 23.349 2.675 27.656 610 HD3 LYS 80 HD3 LYS 80 21.957 2.049 26.768 611 HE2 LYS 80 HE2 LYS 80 22.642 0.593 28.643 612 HE3 LYS 80 HE3 LYS 80 22.712 -0.211 27.076 613 HZ1 LYS 80 HZ1 LYS 80 25.047 0.946 28.506 614 HZ2 LYS 80 HZ2 LYS 80 25.091 0.104 27.034 615 HZ3 LYS 80 HZ3 LYS 80 24.649 -0.702 28.456 616 H GLY 81 H GLY 81 20.160 1.486 24.898 617 HA2 GLY 81 HA2 GLY 81 20.764 -0.533 22.874 618 HA3 GLY 81 HA3 GLY 81 20.696 -1.039 24.553 619 H SER 82 H SER 82 18.798 0.964 22.342 620 HA SER 82 HA SER 82 16.338 -0.194 23.377 621 HB2 SER 82 HB2 SER 82 15.307 1.583 21.903 622 HB3 SER 82 HB3 SER 82 16.353 2.219 23.175 623 HG SER 82 HG SER 82 17.065 3.245 21.405 624 H MET 83 H MET 83 14.864 0.135 20.976 625 HA MET 83 HA MET 83 16.233 -1.544 19.024 626 HB2 MET 83 HB2 MET 83 14.829 -2.992 20.547 627 HB3 MET 83 HB3 MET 83 13.417 -2.149 19.923 628 HG2 MET 83 HG2 MET 83 13.448 -4.022 18.613 629 HG3 MET 83 HG3 MET 83 14.335 -2.883 17.608 630 HE1 MET 83 HE1 MET 83 17.315 -2.802 18.457 631 HE2 MET 83 HE2 MET 83 16.717 -3.151 16.835 632 HE3 MET 83 HE3 MET 83 17.924 -4.200 17.576 633 H VAL 84 H VAL 84 16.388 0.227 17.702 634 HA VAL 84 HA VAL 84 14.093 1.824 17.045 635 HB VAL 84 HB VAL 84 16.792 1.695 15.678 636 HG11 VAL 84 HG11 VAL 84 14.614 3.784 15.531 637 HG12 VAL 84 HG12 VAL 84 15.085 2.675 14.244 638 HG13 VAL 84 HG13 VAL 84 16.212 3.916 14.793 639 HG21 VAL 84 HG21 VAL 84 16.998 2.316 18.029 640 HG22 VAL 84 HG22 VAL 84 15.794 3.585 17.810 641 HG23 VAL 84 HG23 VAL 84 17.346 3.690 16.981 642 H TYR 85 H TYR 85 12.534 1.162 15.734 643 HA TYR 85 HA TYR 85 13.148 -0.881 13.736 644 HB2 TYR 85 HB2 TYR 85 10.526 0.133 14.839 645 HB3 TYR 85 HB3 TYR 85 10.637 -0.991 13.487 646 HD1 TYR 85 HD1 TYR 85 12.280 -3.055 14.022 647 HD2 TYR 85 HD2 TYR 85 10.134 -0.786 16.905 648 HE1 TYR 85 HE1 TYR 85 12.399 -4.949 15.596 649 HE2 TYR 85 HE2 TYR 85 10.252 -2.663 18.486 650 HH TYR 85 HH TYR 85 10.540 -5.086 18.446 651 H PHE 86 H PHE 86 13.820 -0.098 11.907 652 HA PHE 86 HA PHE 86 12.561 2.326 10.830 653 HB2 PHE 86 HB2 PHE 86 15.046 2.249 10.873 654 HB3 PHE 86 HB3 PHE 86 14.999 0.834 9.827 655 HD1 PHE 86 HD1 PHE 86 13.322 4.169 9.821 656 HD2 PHE 86 HD2 PHE 86 15.656 1.323 7.686 657 HE1 PHE 86 HE1 PHE 86 13.322 5.649 7.856 658 HE2 PHE 86 HE2 PHE 86 15.657 2.798 5.715 659 HZ PHE 86 HZ PHE 86 14.487 4.966 5.800 660 H LYS 87 H LYS 87 10.700 1.730 9.957 661 HA LYS 87 HA LYS 87 10.540 -0.738 8.413 662 HB2 LYS 87 HB2 LYS 87 8.497 1.157 9.543 663 HB3 LYS 87 HB3 LYS 87 8.063 -0.098 8.398 664 HG2 LYS 87 HG2 LYS 87 8.653 -1.817 9.891 665 HG3 LYS 87 HG3 LYS 87 9.497 -0.697 10.960 666 HD2 LYS 87 HD2 LYS 87 7.205 -1.494 11.714 667 HD3 LYS 87 HD3 LYS 87 7.488 0.245 11.736 668 HE2 LYS 87 HE2 LYS 87 6.251 0.550 9.714 669 HE3 LYS 87 HE3 LYS 87 6.134 -1.195 9.461 670 HZ1 LYS 87 HZ1 LYS 87 4.697 -1.399 11.326 671 HZ2 LYS 87 HZ2 LYS 87 4.093 -0.129 10.375 672 HZ3 LYS 87 HZ3 LYS 87 4.958 0.212 11.796 673 H VAL 88 H VAL 88 10.146 -0.795 6.284 674 HA VAL 88 HA VAL 88 9.363 1.640 4.881 675 HB VAL 88 HB VAL 88 11.068 1.062 3.043 676 HG11 VAL 88 HG11 VAL 88 12.831 2.410 4.135 677 HG12 VAL 88 HG12 VAL 88 11.975 2.236 5.668 678 HG13 VAL 88 HG13 VAL 88 11.216 3.092 4.324 679 HG21 VAL 88 HG21 VAL 88 13.196 0.091 3.958 680 HG22 VAL 88 HG22 VAL 88 11.869 -1.049 3.762 681 HG23 VAL 88 HG23 VAL 88 12.269 -0.432 5.366 682 H GLY 89 H GLY 89 7.549 1.063 3.911 683 HA2 GLY 89 HA2 GLY 89 5.997 -0.181 2.750 684 HA3 GLY 89 HA3 GLY 89 7.330 -1.175 2.171 685 H ASN 90 H ASN 90 7.722 -3.126 3.105 686 HA ASN 90 HA ASN 90 6.169 -3.810 5.513 687 HB2 ASN 90 HB2 ASN 90 6.681 -5.498 3.063 688 HB3 ASN 90 HB3 ASN 90 6.177 -6.192 4.598 689 HD21 ASN 90 HD21 ASN 90 4.401 -4.041 5.331 690 HD22 ASN 90 HD22 ASN 90 3.033 -4.145 4.274 691 H GLU 91 H GLU 91 9.096 -3.074 4.550 692 HA GLU 91 HA GLU 91 10.606 -5.297 5.644 693 HB2 GLU 91 HB2 GLU 91 11.503 -2.566 4.710 694 HB3 GLU 91 HB3 GLU 91 12.571 -3.888 5.148 695 HG2 GLU 91 HG2 GLU 91 10.571 -4.051 2.915 696 HG3 GLU 91 HG3 GLU 91 12.236 -3.515 2.694 697 H THR 92 H THR 92 11.677 -5.304 7.586 698 HA THR 92 HA THR 92 11.315 -2.959 9.334 699 HB THR 92 HB THR 92 11.256 -5.842 10.261 700 HG1 THR 92 HG1 THR 92 9.304 -5.610 9.339 701 HG21 THR 92 HG21 THR 92 10.486 -4.865 12.381 702 HG22 THR 92 HG22 THR 92 10.665 -3.249 11.696 703 HG23 THR 92 HG23 THR 92 12.086 -4.265 11.937 704 H ARG 93 H ARG 93 13.243 -2.093 9.629 705 HA ARG 93 HA ARG 93 15.607 -3.845 9.784 706 HB2 ARG 93 HB2 ARG 93 15.595 -0.846 9.416 707 HB3 ARG 93 HB3 ARG 93 16.909 -1.967 9.089 708 HG2 ARG 93 HG2 ARG 93 14.319 -1.991 7.560 709 HG3 ARG 93 HG3 ARG 93 15.718 -1.031 7.078 710 HD2 ARG 93 HD2 ARG 93 15.948 -3.981 7.563 711 HD3 ARG 93 HD3 ARG 93 15.386 -3.353 6.013 712 HE ARG 93 HE ARG 93 17.519 -2.237 5.778 713 HH11 ARG 93 HH11 ARG 93 17.329 -4.725 8.234 714 HH12 ARG 93 HH12 ARG 93 19.052 -4.950 8.313 715 HH21 ARG 93 HH21 ARG 93 19.773 -2.558 5.856 716 HH22 ARG 93 HH22 ARG 93 20.435 -3.691 7.014 717 H LYS 94 H LYS 94 16.445 -4.163 11.802 718 HA LYS 94 HA LYS 94 15.528 -2.405 13.959 719 HB2 LYS 94 HB2 LYS 94 17.202 -4.825 14.478 720 HB3 LYS 94 HB3 LYS 94 15.949 -4.105 15.467 721 HG2 LYS 94 HG2 LYS 94 14.234 -4.991 14.010 722 HG3 LYS 94 HG3 LYS 94 15.469 -5.669 12.944 723 HD2 LYS 94 HD2 LYS 94 14.959 -6.414 15.823 724 HD3 LYS 94 HD3 LYS 94 14.626 -7.405 14.405 725 HE2 LYS 94 HE2 LYS 94 17.024 -7.486 13.896 726 HE3 LYS 94 HE3 LYS 94 17.359 -6.480 15.306 727 HZ1 LYS 94 HZ1 LYS 94 16.640 -8.199 16.752 728 HZ2 LYS 94 HZ2 LYS 94 17.699 -8.916 15.632 729 HZ3 LYS 94 HZ3 LYS 94 16.024 -9.127 15.471 730 H TYR 95 H TYR 95 16.862 -1.070 15.020 731 HA TYR 95 HA TYR 95 19.755 -1.354 14.563 732 HB2 TYR 95 HB2 TYR 95 18.165 1.214 14.512 733 HB3 TYR 95 HB3 TYR 95 19.920 1.115 14.449 734 HD1 TYR 95 HD1 TYR 95 21.052 0.333 12.443 735 HD2 TYR 95 HD2 TYR 95 16.811 0.597 12.597 736 HE1 TYR 95 HE1 TYR 95 20.961 0.150 9.991 737 HE2 TYR 95 HE2 TYR 95 16.706 0.410 10.146 738 HH TYR 95 HH TYR 95 19.442 -0.459 8.243 739 H LYS 96 H LYS 96 21.100 -0.761 16.207 740 HA LYS 96 HA LYS 96 19.851 -0.436 18.854 741 HB2 LYS 96 HB2 LYS 96 21.303 -2.469 18.236 742 HB3 LYS 96 HB3 LYS 96 22.663 -1.364 18.252 743 HG2 LYS 96 HG2 LYS 96 22.660 -2.417 20.345 744 HG3 LYS 96 HG3 LYS 96 22.003 -0.804 20.630 745 HD2 LYS 96 HD2 LYS 96 19.853 -1.593 20.957 746 HD3 LYS 96 HD3 LYS 96 20.152 -3.083 20.059 747 HE2 LYS 96 HE2 LYS 96 21.538 -2.478 22.651 748 HE3 LYS 96 HE3 LYS 96 19.949 -3.245 22.601 749 HZ1 LYS 96 HZ1 LYS 96 21.843 -4.819 22.733 750 HZ2 LYS 96 HZ2 LYS 96 22.343 -4.308 21.198 751 HZ3 LYS 96 HZ3 LYS 96 20.841 -5.072 21.391 752 H MET 97 H MET 97 20.259 1.421 19.947 753 HA MET 97 HA MET 97 21.679 3.521 18.584 754 HB2 MET 97 HB2 MET 97 20.429 3.609 21.335 755 HB3 MET 97 HB3 MET 97 20.837 4.981 20.307 756 HG2 MET 97 HG2 MET 97 19.191 4.172 18.651 757 HG3 MET 97 HG3 MET 97 18.732 2.904 19.781 758 HE1 MET 97 HE1 MET 97 18.435 6.594 18.754 759 HE2 MET 97 HE2 MET 97 19.526 6.767 20.130 760 HE3 MET 97 HE3 MET 97 17.881 7.399 20.223 761 H THR 98 H THR 98 23.751 2.370 18.687 762 HA THR 98 HA THR 98 24.961 1.680 21.142 763 HB THR 98 HB THR 98 27.018 1.381 19.757 764 HG1 THR 98 HG1 THR 98 26.341 1.561 17.353 765 HG21 THR 98 HG21 THR 98 26.127 -0.461 18.432 766 HG22 THR 98 HG22 THR 98 24.498 0.199 18.572 767 HG23 THR 98 HG23 THR 98 25.328 -0.409 20.005 768 H SER 99 H SER 99 25.311 4.512 19.034 769 HA SER 99 HA SER 99 27.122 5.667 21.054 770 HB2 SER 99 HB2 SER 99 26.966 6.530 18.168 771 HB3 SER 99 HB3 SER 99 28.247 6.851 19.336 772 HG SER 99 HG SER 99 27.586 4.207 18.600 773 H ILE 100 H ILE 100 25.907 6.917 22.330 774 HA ILE 100 HA ILE 100 24.235 8.959 21.026 775 HB ILE 100 HB ILE 100 23.637 7.583 23.653 776 HG12 ILE 100 HG12 ILE 100 22.172 7.485 21.004 777 HG13 ILE 100 HG13 ILE 100 23.140 6.181 21.687 778 HG21 ILE 100 HG21 ILE 100 23.017 9.942 23.680 779 HG22 ILE 100 HG22 ILE 100 21.585 8.913 23.661 780 HG23 ILE 100 HG23 ILE 100 22.103 9.729 22.186 781 HD11 ILE 100 HD11 ILE 100 20.645 7.330 22.918 782 HD12 ILE 100 HD12 ILE 100 21.591 5.976 23.540 783 HD13 ILE 100 HD13 ILE 100 20.743 5.826 22.001 784 H ARG 101 H ARG 101 25.768 10.561 21.127 785 HA ARG 101 HA ARG 101 26.081 11.737 23.765 786 HB2 ARG 101 HB2 ARG 101 28.401 10.981 22.003 787 HB3 ARG 101 HB3 ARG 101 28.518 12.322 23.136 788 HG2 ARG 101 HG2 ARG 101 27.949 10.798 24.974 789 HG3 ARG 101 HG3 ARG 101 27.886 9.460 23.827 790 HD2 ARG 101 HD2 ARG 101 30.311 11.163 24.383 791 HD3 ARG 101 HD3 ARG 101 30.013 9.571 25.075 792 HE ARG 101 HE ARG 101 30.974 10.171 22.439 793 HH11 ARG 101 HH11 ARG 101 29.228 7.799 24.353 794 HH12 ARG 101 HH12 ARG 101 29.643 6.472 23.308 795 HH21 ARG 101 HH21 ARG 101 31.566 8.429 21.115 796 HH22 ARG 101 HH22 ARG 101 31.008 6.821 21.483 797 H ASP 102 H ASP 102 26.574 13.993 23.688 798 HA ASP 102 HA ASP 102 25.460 15.162 21.238 799 HB2 ASP 102 HB2 ASP 102 24.746 17.030 22.658 800 HB3 ASP 102 HB3 ASP 102 24.126 15.498 23.265 801 H VAL 103 H VAL 103 26.494 16.735 20.141 802 HA VAL 103 HA VAL 103 28.919 17.916 21.289 803 HB VAL 103 HB VAL 103 30.045 17.728 19.055 804 HG11 VAL 103 HG11 VAL 103 29.372 15.126 20.423 805 HG12 VAL 103 HG12 VAL 103 30.662 16.243 20.875 806 HG13 VAL 103 HG13 VAL 103 30.735 15.389 19.332 807 HG21 VAL 103 HG21 VAL 103 27.789 15.808 18.470 808 HG22 VAL 103 HG22 VAL 103 29.245 15.990 17.492 809 HG23 VAL 103 HG23 VAL 103 28.114 17.333 17.646 810 H LYS 104 H LYS 104 29.228 20.056 20.761 811 HA LYS 104 HA LYS 104 27.177 21.240 18.998 812 HB2 LYS 104 HB2 LYS 104 26.940 21.996 21.311 813 HB3 LYS 104 HB3 LYS 104 28.627 22.495 21.340 814 HG2 LYS 104 HG2 LYS 104 28.153 24.161 19.600 815 HG3 LYS 104 HG3 LYS 104 26.457 23.677 19.615 816 HD2 LYS 104 HD2 LYS 104 26.174 24.460 21.849 817 HD3 LYS 104 HD3 LYS 104 27.913 24.691 22.052 818 HE2 LYS 104 HE2 LYS 104 27.880 26.441 20.344 819 HE3 LYS 104 HE3 LYS 104 26.147 26.209 20.130 820 HZ1 LYS 104 HZ1 LYS 104 25.697 27.081 22.240 821 HZ2 LYS 104 HZ2 LYS 104 26.889 28.105 21.607 822 HZ3 LYS 104 HZ3 LYS 104 27.310 26.935 22.755 823 HA PRO 105 HA PRO 105 31.037 22.238 16.827 824 HB2 PRO 105 HB2 PRO 105 30.269 21.479 14.379 825 HB3 PRO 105 HB3 PRO 105 30.792 20.305 15.592 826 HG2 PRO 105 HG2 PRO 105 28.053 20.948 14.641 827 HG3 PRO 105 HG3 PRO 105 28.718 19.403 15.192 828 HD2 PRO 105 HD2 PRO 105 27.146 21.192 16.699 829 HD3 PRO 105 HD3 PRO 105 28.052 19.799 17.320 830 H THR 106 H THR 106 27.702 22.961 15.990 831 HA THR 106 HA THR 106 26.648 24.849 15.345 832 HB THR 106 HB THR 106 29.326 26.216 15.655 833 HG1 THR 106 HG1 THR 106 28.754 26.488 17.735 834 HG21 THR 106 HG21 THR 106 27.770 27.510 14.268 835 HG22 THR 106 HG22 THR 106 28.000 28.275 15.840 836 HG23 THR 106 HG23 THR 106 26.529 27.359 15.511 837 H ASP 107 H ASP 107 29.829 24.531 13.768 838 HA ASP 107 HA ASP 107 28.876 25.635 11.295 839 HB2 ASP 107 HB2 ASP 107 31.274 25.736 12.085 840 HB3 ASP 107 HB3 ASP 107 31.395 24.015 11.730 841 H VAL 108 H VAL 108 29.039 24.357 9.233 842 HA VAL 108 HA VAL 108 27.411 22.019 9.530 843 HB VAL 108 HB VAL 108 28.255 23.780 7.248 844 HG11 VAL 108 HG11 VAL 108 26.726 21.210 7.041 845 HG12 VAL 108 HG12 VAL 108 28.332 21.540 6.400 846 HG13 VAL 108 HG13 VAL 108 26.933 22.393 5.749 847 HG21 VAL 108 HG21 VAL 108 25.861 24.180 7.061 848 HG22 VAL 108 HG22 VAL 108 26.431 24.532 8.692 849 HG23 VAL 108 HG23 VAL 108 25.557 23.035 8.367 850 H GLU 109 H GLU 109 30.707 22.833 8.552 851 HA GLU 109 HA GLU 109 31.110 19.991 7.885 852 HB2 GLU 109 HB2 GLU 109 32.472 22.418 6.727 853 HB3 GLU 109 HB3 GLU 109 33.000 20.764 6.441 854 HG2 GLU 109 HG2 GLU 109 30.719 20.291 5.538 855 HG3 GLU 109 HG3 GLU 109 30.396 22.021 5.635 856 H VAL 110 H VAL 110 31.516 19.619 10.098 857 HA VAL 110 HA VAL 110 34.142 20.548 11.025 858 HB VAL 110 HB VAL 110 33.384 19.891 13.280 859 HG11 VAL 110 HG11 VAL 110 33.143 22.197 12.556 860 HG12 VAL 110 HG12 VAL 110 31.791 21.738 13.593 861 HG13 VAL 110 HG13 VAL 110 31.570 21.827 11.844 862 HG21 VAL 110 HG21 VAL 110 31.777 18.167 12.659 863 HG22 VAL 110 HG22 VAL 110 30.735 19.387 11.924 864 HG23 VAL 110 HG23 VAL 110 31.010 19.396 13.667 865 H LEU 111 H LEU 111 32.631 17.964 9.622 866 HA LEU 111 HA LEU 111 34.774 16.175 10.370 867 HB2 LEU 111 HB2 LEU 111 33.207 14.301 10.823 868 HB3 LEU 111 HB3 LEU 111 33.202 15.561 12.038 869 HG LEU 111 HG LEU 111 31.126 16.463 10.764 870 HD11 LEU 111 HD11 LEU 111 29.831 14.802 9.600 871 HD12 LEU 111 HD12 LEU 111 31.079 13.586 9.875 872 HD13 LEU 111 HD13 LEU 111 31.408 14.965 8.827 873 HD21 LEU 111 HD21 LEU 111 31.049 13.927 12.392 874 HD22 LEU 111 HD22 LEU 111 29.671 14.988 12.091 875 HD23 LEU 111 HD23 LEU 111 31.054 15.578 13.013 876 H ASP 112 H ASP 112 34.439 14.023 9.041 877 HA ASP 112 HA ASP 112 33.303 14.616 6.429 878 HB2 ASP 112 HB2 ASP 112 35.603 15.579 6.434 879 HB3 ASP 112 HB3 ASP 112 36.242 13.981 6.791 880 H GLU 113 H GLU 113 33.705 12.676 4.930 881 HA GLU 113 HA GLU 113 32.800 10.324 6.324 882 HB2 GLU 113 HB2 GLU 113 31.807 11.048 4.186 883 HB3 GLU 113 HB3 GLU 113 33.351 10.813 3.390 884 HG2 GLU 113 HG2 GLU 113 33.225 8.416 3.863 885 HG3 GLU 113 HG3 GLU 113 31.661 8.660 4.642 886 H GLN 114 H GLN 114 34.537 9.562 7.515 887 HA GLN 114 HA GLN 114 37.004 8.912 6.100 888 HB2 GLN 114 HB2 GLN 114 36.301 9.494 8.914 889 HB3 GLN 114 HB3 GLN 114 37.567 8.302 8.662 890 HG2 GLN 114 HG2 GLN 114 38.501 10.506 8.969 891 HG3 GLN 114 HG3 GLN 114 38.829 9.908 7.349 892 HE21 GLN 114 HE21 GLN 114 37.809 10.843 5.594 893 HE22 GLN 114 HE22 GLN 114 37.016 12.389 5.693 894 H LYS 115 H LYS 115 37.676 6.934 5.755 895 HA LYS 115 HA LYS 115 37.694 4.724 5.425 896 HB2 LYS 115 HB2 LYS 115 37.237 5.208 8.285 897 HB3 LYS 115 HB3 LYS 115 37.140 3.536 7.734 898 HG2 LYS 115 HG2 LYS 115 39.376 3.588 6.959 899 HG3 LYS 115 HG3 LYS 115 39.469 5.340 7.137 900 HD2 LYS 115 HD2 LYS 115 39.284 5.109 9.557 901 HD3 LYS 115 HD3 LYS 115 39.172 3.355 9.386 902 HE2 LYS 115 HE2 LYS 115 41.434 4.021 9.998 903 HE3 LYS 115 HE3 LYS 115 41.407 3.313 8.383 904 HZ1 LYS 115 HZ1 LYS 115 41.507 6.216 9.022 905 HZ2 LYS 115 HZ2 LYS 115 41.420 5.569 7.456 906 HZ3 LYS 115 HZ3 LYS 115 42.783 5.279 8.419 907 H GLY 116 H GLY 116 36.368 2.578 6.250 908 HA2 GLY 116 HA2 GLY 116 33.965 2.694 4.748 909 HA3 GLY 116 HA3 GLY 116 34.535 1.323 5.688 910 H LYS 117 H LYS 117 31.949 3.065 5.331 911 HA LYS 117 HA LYS 117 31.390 3.642 8.126 912 HB2 LYS 117 HB2 LYS 117 29.559 3.931 5.733 913 HB3 LYS 117 HB3 LYS 117 29.312 4.615 7.333 914 HG2 LYS 117 HG2 LYS 117 31.416 5.380 5.322 915 HG3 LYS 117 HG3 LYS 117 30.057 6.355 5.882 916 HD2 LYS 117 HD2 LYS 117 32.322 5.392 7.627 917 HD3 LYS 117 HD3 LYS 117 32.223 7.001 6.908 918 HE2 LYS 117 HE2 LYS 117 30.220 7.482 8.159 919 HE3 LYS 117 HE3 LYS 117 30.171 5.832 8.782 920 HZ1 LYS 117 HZ1 LYS 117 32.273 7.857 9.346 921 HZ2 LYS 117 HZ2 LYS 117 32.292 6.250 9.898 922 HZ3 LYS 117 HZ3 LYS 117 31.086 7.315 10.425 923 H ASP 118 H ASP 118 28.920 2.980 8.641 924 HA ASP 118 HA ASP 118 28.686 0.113 7.995 925 HB2 ASP 118 HB2 ASP 118 27.739 1.380 10.569 926 HB3 ASP 118 HB3 ASP 118 27.833 -0.335 10.185 927 H LYS 119 H LYS 119 26.316 -0.499 8.883 928 HA LYS 119 HA LYS 119 24.492 1.161 7.347 929 HB2 LYS 119 HB2 LYS 119 24.122 -1.572 8.586 930 HB3 LYS 119 HB3 LYS 119 22.947 -0.746 7.566 931 HG2 LYS 119 HG2 LYS 119 24.191 -1.020 5.661 932 HG3 LYS 119 HG3 LYS 119 25.710 -1.167 6.547 933 HD2 LYS 119 HD2 LYS 119 25.314 -3.322 5.814 934 HD3 LYS 119 HD3 LYS 119 24.704 -3.336 7.467 935 HE2 LYS 119 HE2 LYS 119 23.175 -4.474 5.920 936 HE3 LYS 119 HE3 LYS 119 22.431 -3.053 6.652 937 HZ1 LYS 119 HZ1 LYS 119 22.099 -3.399 4.177 938 HZ2 LYS 119 HZ2 LYS 119 23.725 -2.946 3.989 939 HZ3 LYS 119 HZ3 LYS 119 22.614 -1.862 4.666 940 H GLN 120 H GLN 120 23.983 2.865 8.575 941 HA GLN 120 HA GLN 120 22.687 2.434 11.162 942 HB2 GLN 120 HB2 GLN 120 24.094 4.203 12.201 943 HB3 GLN 120 HB3 GLN 120 25.017 2.767 11.769 944 HG2 GLN 120 HG2 GLN 120 25.978 3.837 9.888 945 HG3 GLN 120 HG3 GLN 120 24.852 5.188 9.996 946 HE21 GLN 120 HE21 GLN 120 25.199 6.797 11.491 947 HE22 GLN 120 HE22 GLN 120 26.690 6.963 12.348 948 H LEU 121 H LEU 121 21.560 4.385 11.912 949 HA LEU 121 HA LEU 121 21.122 6.345 9.751 950 HB2 LEU 121 HB2 LEU 121 19.248 6.164 12.078 951 HB3 LEU 121 HB3 LEU 121 18.961 6.793 10.472 952 HG LEU 121 HG LEU 121 17.636 4.889 10.623 953 HD11 LEU 121 HD11 LEU 121 20.152 3.987 9.248 954 HD12 LEU 121 HD12 LEU 121 18.863 4.957 8.535 955 HD13 LEU 121 HD13 LEU 121 18.542 3.297 9.034 956 HD21 LEU 121 HD21 LEU 121 18.555 3.979 12.656 957 HD22 LEU 121 HD22 LEU 121 19.988 3.427 11.790 958 HD23 LEU 121 HD23 LEU 121 18.411 2.724 11.428 959 H THR 122 H THR 122 22.081 8.208 10.091 960 HA THR 122 HA THR 122 22.947 8.997 12.731 961 HB THR 122 HB THR 122 23.065 10.608 10.173 962 HG1 THR 122 HG1 THR 122 24.386 9.055 9.569 963 HG21 THR 122 HG21 THR 122 24.749 10.713 12.683 964 HG22 THR 122 HG22 THR 122 23.481 11.862 12.254 965 HG23 THR 122 HG23 THR 122 24.934 11.741 11.262 966 H LEU 123 H LEU 123 21.030 9.290 13.871 967 HA LEU 123 HA LEU 123 18.918 10.922 12.827 968 HB2 LEU 123 HB2 LEU 123 19.410 9.769 15.565 969 HB3 LEU 123 HB3 LEU 123 17.985 10.705 15.150 970 HG LEU 123 HG LEU 123 18.791 8.099 13.850 971 HD11 LEU 123 HD11 LEU 123 16.876 7.150 15.029 972 HD12 LEU 123 HD12 LEU 123 16.613 8.691 15.849 973 HD13 LEU 123 HD13 LEU 123 18.084 7.767 16.158 974 HD21 LEU 123 HD21 LEU 123 17.561 9.587 12.354 975 HD22 LEU 123 HD22 LEU 123 16.288 9.756 13.565 976 HD23 LEU 123 HD23 LEU 123 16.588 8.189 12.813 977 H ILE 124 H ILE 124 19.318 12.974 12.510 978 HA ILE 124 HA ILE 124 20.982 14.467 14.375 979 HB ILE 124 HB ILE 124 19.701 15.399 11.801 980 HG12 ILE 124 HG12 ILE 124 22.546 14.510 12.329 981 HG13 ILE 124 HG13 ILE 124 21.337 13.564 11.468 982 HG21 ILE 124 HG21 ILE 124 21.305 17.253 11.951 983 HG22 ILE 124 HG22 ILE 124 21.855 16.643 13.511 984 HG23 ILE 124 HG23 ILE 124 20.203 17.228 13.327 985 HD11 ILE 124 HD11 ILE 124 21.215 15.330 9.761 986 HD12 ILE 124 HD12 ILE 124 22.825 14.622 9.905 987 HD13 ILE 124 HD13 ILE 124 22.492 16.206 10.608 988 H THR 125 H THR 125 19.801 14.869 16.179 989 HA THR 125 HA THR 125 17.301 16.358 15.782 990 HB THR 125 HB THR 125 16.839 15.870 18.193 991 HG1 THR 125 HG1 THR 125 19.366 14.973 18.118 992 HG21 THR 125 HG21 THR 125 17.254 13.452 16.434 993 HG22 THR 125 HG22 THR 125 15.841 14.506 16.423 994 HG23 THR 125 HG23 THR 125 16.201 13.531 17.848 995 H CYS 126 H CYS 126 17.869 18.452 15.614 996 HA CYS 126 HA CYS 126 19.987 19.632 17.111 997 HB2 CYS 126 HB2 CYS 126 17.657 20.977 15.715 998 HB3 CYS 126 HB3 CYS 126 19.128 21.772 16.263 999 H ASP 127 H ASP 127 19.724 19.285 19.263 1000 HA ASP 127 HA ASP 127 17.385 20.498 20.561 1001 HB2 ASP 127 HB2 ASP 127 16.904 18.134 20.512 1002 HB3 ASP 127 HB3 ASP 127 18.528 17.754 21.079 1003 H ASP 128 H ASP 128 18.452 22.194 21.399 1004 HA ASP 128 HA ASP 128 19.692 21.967 23.857 1005 HB2 ASP 128 HB2 ASP 128 21.548 21.246 21.995 1006 HB3 ASP 128 HB3 ASP 128 21.821 22.981 22.081 1007 H TYR 129 H TYR 129 18.309 23.638 24.293 1008 HA TYR 129 HA TYR 129 18.283 26.034 22.731 1009 HB2 TYR 129 HB2 TYR 129 16.813 26.931 24.503 1010 HB3 TYR 129 HB3 TYR 129 16.272 25.356 23.943 1011 HD1 TYR 129 HD1 TYR 129 17.769 27.205 26.743 1012 HD2 TYR 129 HD2 TYR 129 16.295 23.437 25.420 1013 HE1 TYR 129 HE1 TYR 129 17.739 26.414 29.065 1014 HE2 TYR 129 HE2 TYR 129 16.260 22.633 27.745 1015 HH TYR 129 HH TYR 129 17.220 23.103 29.880 1016 H ASN 130 H ASN 130 19.321 27.938 23.097 1017 HA ASN 130 HA ASN 130 21.688 27.768 24.715 1018 HB2 ASN 130 HB2 ASN 130 22.394 29.789 23.649 1019 HB3 ASN 130 HB3 ASN 130 21.607 28.810 22.419 1020 HD21 ASN 130 HD21 ASN 130 22.083 31.688 22.585 1021 HD22 ASN 130 HD22 ASN 130 20.536 32.429 22.380 1022 H GLU 131 H GLU 131 18.859 28.103 25.703 1023 HA GLU 131 HA GLU 131 17.602 29.053 27.292 1024 HB2 GLU 131 HB2 GLU 131 18.676 29.552 29.425 1025 HB3 GLU 131 HB3 GLU 131 19.211 28.034 28.734 1026 HG2 GLU 131 HG2 GLU 131 21.280 29.108 28.005 1027 HG3 GLU 131 HG3 GLU 131 20.739 30.621 28.729 1028 H LYS 132 H LYS 132 19.957 31.196 25.974 1029 HA LYS 132 HA LYS 132 19.105 33.624 27.063 1030 HB2 LYS 132 HB2 LYS 132 21.130 33.242 25.630 1031 HB3 LYS 132 HB3 LYS 132 20.068 33.114 24.242 1032 HG2 LYS 132 HG2 LYS 132 19.982 35.571 25.926 1033 HG3 LYS 132 HG3 LYS 132 21.294 35.344 24.772 1034 HD2 LYS 132 HD2 LYS 132 19.629 35.046 22.976 1035 HD3 LYS 132 HD3 LYS 132 18.342 35.355 24.145 1036 HE2 LYS 132 HE2 LYS 132 20.569 37.291 23.533 1037 HE3 LYS 132 HE3 LYS 132 18.988 37.333 22.757 1038 HZ1 LYS 132 HZ1 LYS 132 19.338 37.478 25.699 1039 HZ2 LYS 132 HZ2 LYS 132 17.944 37.828 24.795 1040 HZ3 LYS 132 HZ3 LYS 132 19.293 38.851 24.708 1041 H THR 133 H THR 133 18.185 32.128 23.986 1042 HA THR 133 HA THR 133 15.573 33.466 24.189 1043 HB THR 133 HB THR 133 16.800 34.656 22.516 1044 HG1 THR 133 HG1 THR 133 15.165 32.824 21.065 1045 HG21 THR 133 HG21 THR 133 18.561 33.079 22.073 1046 HG22 THR 133 HG22 THR 133 17.781 33.527 20.551 1047 HG23 THR 133 HG23 THR 133 17.422 31.971 21.301 1048 H GLY 134 H GLY 134 17.397 30.619 23.444 1049 HA2 GLY 134 HA2 GLY 134 16.451 28.458 23.716 1050 HA3 GLY 134 HA3 GLY 134 14.876 29.129 23.314 1051 H VAL 135 H VAL 135 17.963 29.457 21.599 1052 HA VAL 135 HA VAL 135 16.664 28.413 19.203 1053 HB VAL 135 HB VAL 135 17.925 30.524 19.012 1054 HG11 VAL 135 HG11 VAL 135 19.652 30.138 20.645 1055 HG12 VAL 135 HG12 VAL 135 20.384 30.479 19.077 1056 HG13 VAL 135 HG13 VAL 135 20.312 28.823 19.677 1057 HG21 VAL 135 HG21 VAL 135 19.103 28.238 17.440 1058 HG22 VAL 135 HG22 VAL 135 19.209 29.943 17.004 1059 HG23 VAL 135 HG23 VAL 135 17.640 29.141 17.039 1060 H TRP 136 H TRP 136 17.535 26.691 18.025 1061 HA TRP 136 HA TRP 136 18.681 24.629 19.685 1062 HB2 TRP 136 HB2 TRP 136 18.074 24.483 16.724 1063 HB3 TRP 136 HB3 TRP 136 18.249 23.142 17.849 1064 HD1 TRP 136 HD1 TRP 136 16.148 22.493 19.324 1065 HE1 TRP 136 HE1 TRP 136 13.659 23.149 19.212 1066 HE3 TRP 136 HE3 TRP 136 16.511 26.498 16.169 1067 HZ2 TRP 136 HZ2 TRP 136 12.070 25.116 17.960 1068 HZ3 TRP 136 HZ3 TRP 136 14.460 27.717 15.570 1069 HH2 TRP 136 HH2 TRP 136 12.286 27.038 16.447 1070 H GLU 137 H GLU 137 20.813 25.158 20.098 1071 HA GLU 137 HA GLU 137 22.546 25.971 17.924 1072 HB2 GLU 137 HB2 GLU 137 23.094 25.425 20.842 1073 HB3 GLU 137 HB3 GLU 137 24.301 26.004 19.699 1074 HG2 GLU 137 HG2 GLU 137 22.712 27.960 19.279 1075 HG3 GLU 137 HG3 GLU 137 21.881 27.431 20.743 1076 H LYS 138 H LYS 138 22.544 23.316 20.268 1077 HA LYS 138 HA LYS 138 24.731 22.009 18.932 1078 HB2 LYS 138 HB2 LYS 138 24.570 22.037 21.359 1079 HB3 LYS 138 HB3 LYS 138 23.016 21.225 21.290 1080 HG2 LYS 138 HG2 LYS 138 24.202 19.277 20.233 1081 HG3 LYS 138 HG3 LYS 138 25.716 20.097 20.626 1082 HD2 LYS 138 HD2 LYS 138 23.575 19.286 22.586 1083 HD3 LYS 138 HD3 LYS 138 25.126 18.480 22.354 1084 HE2 LYS 138 HE2 LYS 138 26.321 20.327 23.218 1085 HE3 LYS 138 HE3 LYS 138 24.908 21.378 23.126 1086 HZ1 LYS 138 HZ1 LYS 138 23.851 20.093 24.852 1087 HZ2 LYS 138 HZ2 LYS 138 25.363 20.643 25.397 1088 HZ3 LYS 138 HZ3 LYS 138 25.174 19.022 24.919 1089 H ARG 139 H ARG 139 24.653 20.305 17.583 1090 HA ARG 139 HA ARG 139 22.032 19.217 16.893 1091 HB2 ARG 139 HB2 ARG 139 24.709 18.742 15.557 1092 HB3 ARG 139 HB3 ARG 139 23.156 18.147 14.986 1093 HG2 ARG 139 HG2 ARG 139 23.341 19.978 13.662 1094 HG3 ARG 139 HG3 ARG 139 22.564 20.731 15.056 1095 HD2 ARG 139 HD2 ARG 139 25.209 20.861 15.727 1096 HD3 ARG 139 HD3 ARG 139 25.261 21.087 13.981 1097 HE ARG 139 HE ARG 139 23.800 22.801 15.884 1098 HH11 ARG 139 HH11 ARG 139 25.110 22.261 12.677 1099 HH12 ARG 139 HH12 ARG 139 25.139 23.960 12.282 1100 HH21 ARG 139 HH21 ARG 139 23.795 25.007 15.352 1101 HH22 ARG 139 HH22 ARG 139 24.362 25.521 13.796 1102 H LYS 140 H LYS 140 21.445 17.741 18.302 1103 HA LYS 140 HA LYS 140 23.390 16.062 19.631 1104 HB2 LYS 140 HB2 LYS 140 21.118 17.227 20.460 1105 HB3 LYS 140 HB3 LYS 140 20.459 15.678 19.962 1106 HG2 LYS 140 HG2 LYS 140 22.836 15.728 21.745 1107 HG3 LYS 140 HG3 LYS 140 21.244 16.083 22.414 1108 HD2 LYS 140 HD2 LYS 140 20.598 13.886 21.100 1109 HD3 LYS 140 HD3 LYS 140 22.322 13.549 21.297 1110 HE2 LYS 140 HE2 LYS 140 20.949 12.635 23.142 1111 HE3 LYS 140 HE3 LYS 140 22.140 13.816 23.694 1112 HZ1 LYS 140 HZ1 LYS 140 19.248 14.360 23.220 1113 HZ2 LYS 140 HZ2 LYS 140 20.389 15.498 23.740 1114 HZ3 LYS 140 HZ3 LYS 140 19.987 14.190 24.739 1115 H ILE 141 H ILE 141 24.050 14.224 18.689 1116 HA ILE 141 HA ILE 141 22.435 13.141 16.526 1117 HB ILE 141 HB ILE 141 25.331 12.676 17.222 1118 HG12 ILE 141 HG12 ILE 141 24.946 14.981 16.507 1119 HG13 ILE 141 HG13 ILE 141 25.811 14.094 15.257 1120 HG21 ILE 141 HG21 ILE 141 23.761 11.869 14.792 1121 HG22 ILE 141 HG22 ILE 141 24.375 10.800 16.053 1122 HG23 ILE 141 HG23 ILE 141 25.499 11.668 15.009 1123 HD11 ILE 141 HD11 ILE 141 22.869 14.729 15.261 1124 HD12 ILE 141 HD12 ILE 141 23.729 13.833 14.008 1125 HD13 ILE 141 HD13 ILE 141 24.111 15.530 14.300 1126 H PHE 142 H PHE 142 21.603 11.175 16.559 1127 HA PHE 142 HA PHE 142 22.411 9.323 18.708 1128 HB2 PHE 142 HB2 PHE 142 19.744 9.577 17.294 1129 HB3 PHE 142 HB3 PHE 142 20.156 8.278 18.405 1130 HD1 PHE 142 HD1 PHE 142 19.365 11.847 18.103 1131 HD2 PHE 142 HD2 PHE 142 20.236 8.645 20.768 1132 HE1 PHE 142 HE1 PHE 142 18.560 13.203 19.995 1133 HE2 PHE 142 HE2 PHE 142 19.436 9.994 22.658 1134 HZ PHE 142 HZ PHE 142 18.596 12.274 22.274 1135 H VAL 143 H VAL 143 23.706 7.792 17.890 1136 HA VAL 143 HA VAL 143 23.384 7.040 15.073 1137 HB VAL 143 HB VAL 143 25.664 6.467 16.969 1138 HG11 VAL 143 HG11 VAL 143 26.868 5.704 14.962 1139 HG12 VAL 143 HG12 VAL 143 25.401 5.930 14.008 1140 HG13 VAL 143 HG13 VAL 143 25.442 4.718 15.289 1141 HG21 VAL 143 HG21 VAL 143 25.468 8.424 14.676 1142 HG22 VAL 143 HG22 VAL 143 26.912 8.104 15.641 1143 HG23 VAL 143 HG23 VAL 143 25.493 8.837 16.390 1144 H ALA 144 H ALA 144 22.089 5.378 14.750 1145 HA ALA 144 HA ALA 144 22.176 3.130 16.646 1146 HB1 ALA 144 HB1 ALA 144 19.972 4.156 16.468 1147 HB2 ALA 144 HB2 ALA 144 19.956 2.518 15.813 1148 HB3 ALA 144 HB3 ALA 144 19.984 3.904 14.723 1149 H THR 145 H THR 145 23.373 1.513 15.958 1150 HA THR 145 HA THR 145 23.894 1.111 13.120 1151 HB THR 145 HB THR 145 24.999 -0.554 15.380 1152 HG1 THR 145 HG1 THR 145 25.878 2.005 14.474 1153 HG21 THR 145 HG21 THR 145 26.924 -0.774 13.866 1154 HG22 THR 145 HG22 THR 145 26.108 0.246 12.682 1155 HG23 THR 145 HG23 THR 145 25.438 -1.331 13.099 1156 H GLU 146 H GLU 146 23.409 -0.854 12.034 1157 HA GLU 146 HA GLU 146 20.917 -1.968 12.690 1158 HB2 GLU 146 HB2 GLU 146 21.807 -1.843 10.389 1159 HB3 GLU 146 HB3 GLU 146 22.990 -3.081 10.796 1160 HG2 GLU 146 HG2 GLU 146 21.163 -4.645 11.278 1161 HG3 GLU 146 HG3 GLU 146 20.000 -3.407 10.812 1162 H VAL 147 H VAL 147 20.280 -3.833 13.608 1163 HA VAL 147 HA VAL 147 22.383 -5.559 14.761 1164 HB VAL 147 HB VAL 147 19.596 -5.700 15.794 1165 HG11 VAL 147 HG11 VAL 147 22.284 -5.855 17.143 1166 HG12 VAL 147 HG12 VAL 147 21.322 -7.230 16.603 1167 HG13 VAL 147 HG13 VAL 147 20.721 -6.186 17.890 1168 HG21 VAL 147 HG21 VAL 147 19.921 -3.317 15.742 1169 HG22 VAL 147 HG22 VAL 147 21.496 -3.485 16.513 1170 HG23 VAL 147 HG23 VAL 147 20.030 -3.893 17.404 1171 H LYS 148 H LYS 148 21.731 -7.836 14.989 1172 HA LYS 148 HA LYS 148 20.612 -8.806 12.520 1173 HB2 LYS 148 HB2 LYS 148 21.641 -10.369 14.890 1174 HB3 LYS 148 HB3 LYS 148 21.356 -10.988 13.268 1175 HG2 LYS 148 HG2 LYS 148 23.385 -8.886 13.998 1176 HG3 LYS 148 HG3 LYS 148 23.737 -10.598 13.733 1177 HD2 LYS 148 HD2 LYS 148 22.593 -8.683 11.692 1178 HD3 LYS 148 HD3 LYS 148 24.257 -9.274 11.740 1179 HE2 LYS 148 HE2 LYS 148 23.467 -11.552 11.385 1180 HE3 LYS 148 HE3 LYS 148 21.796 -10.991 11.390 1181 HZ1 LYS 148 HZ1 LYS 148 23.887 -10.338 9.388 1182 HZ2 LYS 148 HZ2 LYS 148 22.363 -9.607 9.433 1183 HZ3 LYS 148 HZ3 LYS 148 22.494 -11.271 9.143 1184 H6 2W7 201 H6 2W7 201 18.246 24.221 14.517 1185 H7 2W7 201 H7 2W7 201 19.685 26.225 14.748 1186 H8 2W7 201 H8 2W7 201 21.798 26.392 13.463 1187 H9 2W7 201 H9 2W7 201 22.470 24.556 11.935 1188 H3 2W7 201 H3 2W7 201 22.683 21.643 12.422 1189 H122 2W7 201 H122 2W7 201 22.551 20.888 9.693 1190 H121 2W7 201 H121 2W7 201 23.353 22.465 9.837 1191 H4 2W7 201 H4 2W7 201 24.767 20.180 8.914 1192 HZ12 2W7 201 HZ12 2W7 201 26.607 19.848 12.002 1193 HZ11 2W7 201 HZ11 2W7 201 27.540 20.024 10.506 1194 HY1 2W7 201 HY1 2W7 201 28.646 18.465 12.066 1195 HX22 2W7 201 HX22 2W7 201 27.560 16.340 12.642 1196 HX21 2W7 201 HX21 2W7 201 26.621 17.728 13.247 1197 HY3 2W7 201 HY3 2W7 201 25.132 16.057 12.154 1198 HZ21 2W7 201 HZ21 2W7 201 24.554 18.452 12.035 1199 HZ22 2W7 201 HZ22 2W7 201 24.036 17.590 10.574 1200 HX31 2W7 201 HX31 2W7 201 26.804 15.136 10.594 1201 HX32 2W7 201 HX32 2W7 201 25.345 15.657 9.728 1202 HY2 2W7 201 HY2 2W7 201 27.384 16.413 8.553 1203 HZ32 2W7 201 HZ32 2W7 201 25.352 17.813 8.465 1204 HZ31 2W7 201 HZ31 2W7 201 26.820 18.809 8.434 1205 HX12 2W7 201 HX12 2W7 201 28.835 16.527 10.541 1206 HX11 2W7 201 HX11 2W7 201 28.866 18.056 9.646 Start of MODEL 17 1 HA MET 1 HA MET 1 8.083 -6.429 -4.052 2 HB2 MET 1 HB2 MET 1 6.497 -8.259 -3.509 3 HB3 MET 1 HB3 MET 1 5.472 -7.742 -4.842 4 HG2 MET 1 HG2 MET 1 7.292 -8.221 -6.412 5 HG3 MET 1 HG3 MET 1 8.290 -8.777 -5.067 6 HE1 MET 1 HE1 MET 1 7.758 -10.564 -7.635 7 HE2 MET 1 HE2 MET 1 7.438 -12.127 -6.886 8 HE3 MET 1 HE3 MET 1 8.720 -11.091 -6.255 9 H GLN 2 H GLN 2 4.975 -5.737 -5.696 10 HA GLN 2 HA GLN 2 6.271 -4.923 -8.118 11 HB2 GLN 2 HB2 GLN 2 3.462 -4.401 -7.110 12 HB3 GLN 2 HB3 GLN 2 4.032 -4.015 -8.728 13 HG2 GLN 2 HG2 GLN 2 4.491 -6.416 -9.094 14 HG3 GLN 2 HG3 GLN 2 3.796 -6.754 -7.508 15 HE21 GLN 2 HE21 GLN 2 3.151 -5.750 -10.770 16 HE22 GLN 2 HE22 GLN 2 1.430 -5.935 -10.707 17 H ALA 3 H ALA 3 6.822 -2.870 -8.772 18 HA ALA 3 HA ALA 3 7.779 -0.842 -8.470 19 HB1 ALA 3 HB1 ALA 3 6.559 0.852 -7.197 20 HB2 ALA 3 HB2 ALA 3 5.505 -0.400 -6.536 21 HB3 ALA 3 HB3 ALA 3 5.482 -0.049 -8.266 22 H LYS 4 H LYS 4 9.666 -1.629 -7.610 23 HA LYS 4 HA LYS 4 9.984 -2.523 -4.967 24 HB2 LYS 4 HB2 LYS 4 11.996 -1.546 -6.991 25 HB3 LYS 4 HB3 LYS 4 12.443 -2.228 -5.433 26 HG2 LYS 4 HG2 LYS 4 11.306 -4.317 -6.029 27 HG3 LYS 4 HG3 LYS 4 10.899 -3.631 -7.603 28 HD2 LYS 4 HD2 LYS 4 13.705 -3.994 -6.559 29 HD3 LYS 4 HD3 LYS 4 12.886 -5.113 -7.652 30 HE2 LYS 4 HE2 LYS 4 13.456 -2.207 -8.224 31 HE3 LYS 4 HE3 LYS 4 14.387 -3.569 -8.843 32 HZ1 LYS 4 HZ1 LYS 4 12.214 -4.357 -9.838 33 HZ2 LYS 4 HZ2 LYS 4 12.918 -2.986 -10.544 34 HZ3 LYS 4 HZ3 LYS 4 11.600 -2.811 -9.495 35 HA PRO 5 HA PRO 5 9.894 1.032 -2.514 36 HB2 PRO 5 HB2 PRO 5 11.849 0.365 -0.667 37 HB3 PRO 5 HB3 PRO 5 10.162 -0.150 -0.606 38 HG2 PRO 5 HG2 PRO 5 12.561 -1.633 -1.572 39 HG3 PRO 5 HG3 PRO 5 11.137 -2.234 -0.702 40 HD2 PRO 5 HD2 PRO 5 11.460 -2.617 -3.347 41 HD3 PRO 5 HD3 PRO 5 9.859 -2.360 -2.626 42 H GLN 6 H GLN 6 10.605 2.774 -3.487 43 HA GLN 6 HA GLN 6 13.422 3.485 -3.139 44 HB2 GLN 6 HB2 GLN 6 11.796 3.787 -5.669 45 HB3 GLN 6 HB3 GLN 6 13.240 4.739 -5.357 46 HG2 GLN 6 HG2 GLN 6 13.177 1.731 -5.428 47 HG3 GLN 6 HG3 GLN 6 13.613 2.755 -6.794 48 HE21 GLN 6 HE21 GLN 6 14.577 1.573 -3.674 49 HE22 GLN 6 HE22 GLN 6 16.231 2.088 -3.765 50 H ILE 7 H ILE 7 13.707 5.874 -3.195 51 HA ILE 7 HA ILE 7 11.727 7.092 -1.545 52 HB ILE 7 HB ILE 7 14.201 8.257 -2.843 53 HG12 ILE 7 HG12 ILE 7 14.918 8.317 -0.367 54 HG13 ILE 7 HG13 ILE 7 13.584 7.207 -0.081 55 HG21 ILE 7 HG21 ILE 7 13.916 10.200 -1.416 56 HG22 ILE 7 HG22 ILE 7 12.413 9.534 -0.780 57 HG23 ILE 7 HG23 ILE 7 12.521 10.003 -2.477 58 HD11 ILE 7 HD11 ILE 7 14.582 5.601 -1.598 59 HD12 ILE 7 HD12 ILE 7 15.698 6.047 -0.306 60 HD13 ILE 7 HD13 ILE 7 15.908 6.721 -1.922 61 HA PRO 8 HA PRO 8 9.034 8.176 -4.888 62 HB2 PRO 8 HB2 PRO 8 7.825 9.951 -2.846 63 HB3 PRO 8 HB3 PRO 8 7.080 8.682 -3.822 64 HG2 PRO 8 HG2 PRO 8 7.564 8.295 -1.229 65 HG3 PRO 8 HG3 PRO 8 7.795 6.988 -2.405 66 HD2 PRO 8 HD2 PRO 8 9.837 8.736 -1.092 67 HD3 PRO 8 HD3 PRO 8 9.898 6.995 -1.442 68 H LYS 9 H LYS 9 8.652 9.855 -6.288 69 HA LYS 9 HA LYS 9 10.495 12.023 -6.262 70 HB2 LYS 9 HB2 LYS 9 9.457 12.698 -8.329 71 HB3 LYS 9 HB3 LYS 9 9.653 10.957 -8.334 72 HG2 LYS 9 HG2 LYS 9 7.272 10.720 -7.731 73 HG3 LYS 9 HG3 LYS 9 7.101 12.474 -7.822 74 HD2 LYS 9 HD2 LYS 9 7.826 10.592 -10.063 75 HD3 LYS 9 HD3 LYS 9 6.338 11.523 -9.889 76 HE2 LYS 9 HE2 LYS 9 7.628 13.603 -10.072 77 HE3 LYS 9 HE3 LYS 9 9.106 12.662 -10.270 78 HZ1 LYS 9 HZ1 LYS 9 8.394 13.302 -12.410 79 HZ2 LYS 9 HZ2 LYS 9 6.795 12.820 -12.118 80 HZ3 LYS 9 HZ3 LYS 9 8.018 11.651 -12.269 81 H ASP 10 H ASP 10 7.179 11.605 -5.251 82 HA ASP 10 HA ASP 10 6.884 14.423 -4.628 83 HB2 ASP 10 HB2 ASP 10 4.716 13.891 -3.796 84 HB3 ASP 10 HB3 ASP 10 4.928 12.923 -5.248 85 H LYS 11 H LYS 11 6.448 15.052 -2.320 86 HA LYS 11 HA LYS 11 8.498 13.705 -0.698 87 HB2 LYS 11 HB2 LYS 11 7.619 16.595 -0.646 88 HB3 LYS 11 HB3 LYS 11 8.894 15.892 0.323 89 HG2 LYS 11 HG2 LYS 11 9.005 15.839 -2.671 90 HG3 LYS 11 HG3 LYS 11 9.550 17.240 -1.753 91 HD2 LYS 11 HD2 LYS 11 11.489 15.972 -2.132 92 HD3 LYS 11 HD3 LYS 11 11.036 15.616 -0.466 93 HE2 LYS 11 HE2 LYS 11 11.639 13.554 -1.468 94 HE3 LYS 11 HE3 LYS 11 9.883 13.556 -1.330 95 HZ1 LYS 11 HZ1 LYS 11 10.524 12.724 -3.466 96 HZ2 LYS 11 HZ2 LYS 11 11.465 14.096 -3.786 97 HZ3 LYS 11 HZ3 LYS 11 9.783 14.231 -3.681 98 H SER 12 H SER 12 5.517 13.184 -0.802 99 HA SER 12 HA SER 12 4.959 13.815 2.022 100 HB2 SER 12 HB2 SER 12 3.514 15.076 0.418 101 HB3 SER 12 HB3 SER 12 2.885 13.533 -0.157 102 HG SER 12 HG SER 12 2.404 13.188 2.200 103 H LYS 13 H LYS 13 4.713 11.414 -0.549 104 HA LYS 13 HA LYS 13 3.386 9.422 0.918 105 HB2 LYS 13 HB2 LYS 13 5.318 9.263 -1.378 106 HB3 LYS 13 HB3 LYS 13 4.495 7.857 -0.710 107 HG2 LYS 13 HG2 LYS 13 2.454 9.661 -1.098 108 HG3 LYS 13 HG3 LYS 13 3.505 9.912 -2.496 109 HD2 LYS 13 HD2 LYS 13 2.618 7.209 -1.567 110 HD3 LYS 13 HD3 LYS 13 1.713 8.158 -2.747 111 HE2 LYS 13 HE2 LYS 13 4.585 7.270 -3.034 112 HE3 LYS 13 HE3 LYS 13 3.202 6.523 -3.831 113 HZ1 LYS 13 HZ1 LYS 13 4.200 9.298 -4.233 114 HZ2 LYS 13 HZ2 LYS 13 2.772 8.684 -4.916 115 HZ3 LYS 13 HZ3 LYS 13 4.270 8.018 -5.349 116 H VAL 14 H VAL 14 4.068 8.889 2.883 117 HA VAL 14 HA VAL 14 6.691 8.729 3.776 118 HB VAL 14 HB VAL 14 5.113 8.745 5.486 119 HG11 VAL 14 HG11 VAL 14 3.311 7.068 5.735 120 HG12 VAL 14 HG12 VAL 14 3.731 6.428 4.145 121 HG13 VAL 14 HG13 VAL 14 3.134 8.081 4.305 122 HG21 VAL 14 HG21 VAL 14 6.887 7.240 6.063 123 HG22 VAL 14 HG22 VAL 14 6.075 5.903 5.247 124 HG23 VAL 14 HG23 VAL 14 5.373 6.605 6.703 125 H ALA 15 H ALA 15 8.253 7.560 2.987 126 HA ALA 15 HA ALA 15 7.769 5.090 1.573 127 HB1 ALA 15 HB1 ALA 15 9.416 6.661 0.709 128 HB2 ALA 15 HB2 ALA 15 10.189 5.136 1.137 129 HB3 ALA 15 HB3 ALA 15 10.346 6.534 2.200 130 H GLY 16 H GLY 16 9.030 6.132 4.661 131 HA2 GLY 16 HA2 GLY 16 9.181 3.329 5.493 132 HA3 GLY 16 HA3 GLY 16 10.571 4.373 5.756 133 H TYR 17 H TYR 17 9.181 3.041 7.806 134 HA TYR 17 HA TYR 17 7.910 5.309 9.190 135 HB2 TYR 17 HB2 TYR 17 6.566 3.059 8.506 136 HB3 TYR 17 HB3 TYR 17 7.226 2.556 10.058 137 HD1 TYR 17 HD1 TYR 17 5.147 5.134 8.410 138 HD2 TYR 17 HD2 TYR 17 6.289 3.327 12.085 139 HE1 TYR 17 HE1 TYR 17 3.356 6.364 9.557 140 HE2 TYR 17 HE2 TYR 17 4.496 4.544 13.245 141 HH TYR 17 HH TYR 17 3.175 6.612 12.934 142 H ILE 18 H ILE 18 8.774 5.837 11.119 143 HA ILE 18 HA ILE 18 10.924 4.105 12.117 144 HB ILE 18 HB ILE 18 11.700 6.322 11.478 145 HG12 ILE 18 HG12 ILE 18 12.725 7.007 13.650 146 HG13 ILE 18 HG13 ILE 18 11.657 5.866 14.464 147 HG21 ILE 18 HG21 ILE 18 9.765 7.398 13.521 148 HG22 ILE 18 HG22 ILE 18 9.647 7.587 11.773 149 HG23 ILE 18 HG23 ILE 18 10.977 8.341 12.651 150 HD11 ILE 18 HD11 ILE 18 13.864 4.924 14.162 151 HD12 ILE 18 HD12 ILE 18 13.755 5.183 12.420 152 HD13 ILE 18 HD13 ILE 18 12.675 4.034 13.211 153 H GLU 19 H GLU 19 10.614 3.056 13.936 154 HA GLU 19 HA GLU 19 8.609 4.057 15.835 155 HB2 GLU 19 HB2 GLU 19 8.908 1.180 14.939 156 HB3 GLU 19 HB3 GLU 19 7.814 1.751 16.193 157 HG2 GLU 19 HG2 GLU 19 6.606 3.085 14.557 158 HG3 GLU 19 HG3 GLU 19 7.712 2.556 13.293 159 H ILE 20 H ILE 20 9.693 4.597 17.548 160 HA ILE 20 HA ILE 20 11.622 2.682 18.690 161 HB ILE 20 HB ILE 20 11.638 5.693 19.041 162 HG12 ILE 20 HG12 ILE 20 13.570 3.915 17.535 163 HG13 ILE 20 HG13 ILE 20 12.364 4.951 16.783 164 HG21 ILE 20 HG21 ILE 20 13.565 3.587 20.027 165 HG22 ILE 20 HG22 ILE 20 12.423 4.497 21.017 166 HG23 ILE 20 HG23 ILE 20 13.757 5.332 20.217 167 HD11 ILE 20 HD11 ILE 20 14.674 5.878 18.473 168 HD12 ILE 20 HD12 ILE 20 13.471 6.916 17.709 169 HD13 ILE 20 HD13 ILE 20 14.571 5.959 16.715 170 HA PRO 21 HA PRO 21 7.982 2.528 21.361 171 HB2 PRO 21 HB2 PRO 21 9.014 0.516 22.964 172 HB3 PRO 21 HB3 PRO 21 8.093 0.265 21.478 173 HG2 PRO 21 HG2 PRO 21 11.044 0.210 21.914 174 HG3 PRO 21 HG3 PRO 21 10.042 -0.812 20.869 175 HD2 PRO 21 HD2 PRO 21 11.532 1.195 19.881 176 HD3 PRO 21 HD3 PRO 21 9.952 0.773 19.190 177 H ASP 22 H ASP 22 11.310 2.651 22.522 178 HA ASP 22 HA ASP 22 10.816 3.202 25.218 179 HB2 ASP 22 HB2 ASP 22 13.116 4.014 23.435 180 HB3 ASP 22 HB3 ASP 22 13.102 4.271 25.175 181 H ALA 23 H ALA 23 10.781 5.265 22.415 182 HA ALA 23 HA ALA 23 10.419 7.613 24.154 183 HB1 ALA 23 HB1 ALA 23 11.434 7.480 21.320 184 HB2 ALA 23 HB2 ALA 23 12.400 7.774 22.769 185 HB3 ALA 23 HB3 ALA 23 11.196 8.959 22.255 186 H ASP 24 H ASP 24 8.622 5.478 22.647 187 HA ASP 24 HA ASP 24 6.506 5.391 21.832 188 HB2 ASP 24 HB2 ASP 24 6.450 7.390 23.716 189 HB3 ASP 24 HB3 ASP 24 5.809 8.208 22.296 190 H ILE 25 H ILE 25 8.745 6.279 20.161 191 HA ILE 25 HA ILE 25 7.686 8.269 18.353 192 HB ILE 25 HB ILE 25 10.160 6.531 18.116 193 HG12 ILE 25 HG12 ILE 25 9.819 9.402 19.012 194 HG13 ILE 25 HG13 ILE 25 10.220 8.040 20.051 195 HG21 ILE 25 HG21 ILE 25 9.341 7.345 15.942 196 HG22 ILE 25 HG22 ILE 25 10.885 8.071 16.383 197 HG23 ILE 25 HG23 ILE 25 9.399 9.001 16.551 198 HD11 ILE 25 HD11 ILE 25 11.932 9.086 17.812 199 HD12 ILE 25 HD12 ILE 25 12.335 7.762 18.906 200 HD13 ILE 25 HD13 ILE 25 12.170 9.405 19.530 201 H LYS 26 H LYS 26 6.210 7.762 16.903 202 HA LYS 26 HA LYS 26 6.409 5.269 15.406 203 HB2 LYS 26 HB2 LYS 26 4.982 4.824 17.415 204 HB3 LYS 26 HB3 LYS 26 3.887 6.089 16.879 205 HG2 LYS 26 HG2 LYS 26 3.437 4.812 14.838 206 HG3 LYS 26 HG3 LYS 26 4.503 3.529 15.419 207 HD2 LYS 26 HD2 LYS 26 2.291 2.860 15.948 208 HD3 LYS 26 HD3 LYS 26 3.030 3.381 17.460 209 HE2 LYS 26 HE2 LYS 26 1.264 5.140 15.761 210 HE3 LYS 26 HE3 LYS 26 0.664 4.156 17.091 211 HZ1 LYS 26 HZ1 LYS 26 2.140 5.387 18.587 212 HZ2 LYS 26 HZ2 LYS 26 1.033 6.410 17.812 213 HZ3 LYS 26 HZ3 LYS 26 2.644 6.366 17.297 214 H GLU 27 H GLU 27 7.106 7.248 14.100 215 HA GLU 27 HA GLU 27 4.768 8.608 12.934 216 HB2 GLU 27 HB2 GLU 27 7.520 9.730 13.488 217 HB3 GLU 27 HB3 GLU 27 6.261 10.575 12.599 218 HG2 GLU 27 HG2 GLU 27 5.927 9.626 15.430 219 HG3 GLU 27 HG3 GLU 27 6.536 11.225 15.002 220 HA PRO 28 HA PRO 28 6.316 7.297 8.974 221 HB2 PRO 28 HB2 PRO 28 5.347 9.770 7.771 222 HB3 PRO 28 HB3 PRO 28 4.747 8.125 7.567 223 HG2 PRO 28 HG2 PRO 28 3.381 10.078 8.888 224 HG3 PRO 28 HG3 PRO 28 3.196 8.352 9.224 225 HD2 PRO 28 HD2 PRO 28 4.703 10.426 10.732 226 HD3 PRO 28 HD3 PRO 28 3.807 9.021 11.336 227 H VAL 29 H VAL 29 8.077 7.654 7.637 228 HA VAL 29 HA VAL 29 9.729 9.987 8.279 229 HB VAL 29 HB VAL 29 10.416 7.518 6.678 230 HG11 VAL 29 HG11 VAL 29 12.218 9.770 7.549 231 HG12 VAL 29 HG12 VAL 29 11.613 9.529 5.911 232 HG13 VAL 29 HG13 VAL 29 12.693 8.336 6.635 233 HG21 VAL 29 HG21 VAL 29 10.201 7.020 9.037 234 HG22 VAL 29 HG22 VAL 29 11.255 8.378 9.438 235 HG23 VAL 29 HG23 VAL 29 11.902 6.985 8.565 236 H TYR 30 H TYR 30 9.819 11.608 6.927 237 HA TYR 30 HA TYR 30 8.237 11.369 4.483 238 HB2 TYR 30 HB2 TYR 30 9.162 13.886 5.885 239 HB3 TYR 30 HB3 TYR 30 7.949 13.768 4.609 240 HD1 TYR 30 HD1 TYR 30 6.016 11.956 5.209 241 HD2 TYR 30 HD2 TYR 30 8.336 14.137 8.045 242 HE1 TYR 30 HE1 TYR 30 4.277 11.583 6.911 243 HE2 TYR 30 HE2 TYR 30 6.597 13.779 9.743 244 HH TYR 30 HH TYR 30 4.524 13.056 10.129 245 HA PRO 31 HA PRO 31 12.232 10.913 2.526 246 HB2 PRO 31 HB2 PRO 31 11.081 10.810 -0.008 247 HB3 PRO 31 HB3 PRO 31 11.386 9.423 1.041 248 HG2 PRO 31 HG2 PRO 31 8.869 10.949 0.593 249 HG3 PRO 31 HG3 PRO 31 9.100 9.211 0.853 250 HD2 PRO 31 HD2 PRO 31 8.184 10.814 2.801 251 HD3 PRO 31 HD3 PRO 31 9.266 9.450 3.159 252 H GLY 32 H GLY 32 13.603 12.331 1.641 253 HA2 GLY 32 HA2 GLY 32 13.666 14.148 -0.176 254 HA3 GLY 32 HA3 GLY 32 12.521 14.954 0.891 255 HA PRO 33 HA PRO 33 16.982 15.820 2.195 256 HB2 PRO 33 HB2 PRO 33 17.265 18.343 1.293 257 HB3 PRO 33 HB3 PRO 33 17.610 16.939 0.275 258 HG2 PRO 33 HG2 PRO 33 15.170 18.671 0.344 259 HG3 PRO 33 HG3 PRO 33 16.049 18.031 -1.057 260 HD2 PRO 33 HD2 PRO 33 13.760 16.911 -0.086 261 HD3 PRO 33 HD3 PRO 33 15.018 15.984 -0.926 262 H ALA 34 H ALA 34 17.651 17.344 3.818 263 HA ALA 34 HA ALA 34 15.641 17.881 5.721 264 HB1 ALA 34 HB1 ALA 34 18.482 18.893 5.623 265 HB2 ALA 34 HB2 ALA 34 17.941 17.388 6.370 266 HB3 ALA 34 HB3 ALA 34 17.418 18.937 7.029 267 H THR 35 H THR 35 14.112 19.283 5.142 268 HA THR 35 HA THR 35 14.954 22.043 4.609 269 HB THR 35 HB THR 35 12.856 22.232 3.183 270 HG1 THR 35 HG1 THR 35 13.098 19.401 2.988 271 HG21 THR 35 HG21 THR 35 13.941 21.278 1.187 272 HG22 THR 35 HG22 THR 35 15.074 20.416 2.229 273 HG23 THR 35 HG23 THR 35 15.081 22.179 2.187 274 HA PRO 36 HA PRO 36 12.587 23.007 8.173 275 HB2 PRO 36 HB2 PRO 36 11.926 25.569 6.848 276 HB3 PRO 36 HB3 PRO 36 12.773 25.272 8.368 277 HG2 PRO 36 HG2 PRO 36 14.094 26.093 6.196 278 HG3 PRO 36 HG3 PRO 36 14.810 24.917 7.317 279 HD2 PRO 36 HD2 PRO 36 13.528 24.458 4.651 280 HD3 PRO 36 HD3 PRO 36 14.986 23.716 5.344 281 H GLU 37 H GLU 37 11.154 22.778 5.107 282 HA GLU 37 HA GLU 37 8.484 23.339 6.133 283 HB2 GLU 37 HB2 GLU 37 9.217 24.203 3.897 284 HB3 GLU 37 HB3 GLU 37 9.267 22.539 3.331 285 HG2 GLU 37 HG2 GLU 37 6.940 22.285 3.549 286 HG3 GLU 37 HG3 GLU 37 6.789 23.761 4.502 287 H GLN 38 H GLN 38 10.410 20.643 4.856 288 HA GLN 38 HA GLN 38 8.253 18.765 5.207 289 HB2 GLN 38 HB2 GLN 38 11.198 18.303 4.699 290 HB3 GLN 38 HB3 GLN 38 9.970 17.044 4.710 291 HG2 GLN 38 HG2 GLN 38 8.823 18.272 2.854 292 HG3 GLN 38 HG3 GLN 38 10.228 19.334 2.778 293 HE21 GLN 38 HE21 GLN 38 10.397 15.921 3.490 294 HE22 GLN 38 HE22 GLN 38 11.168 15.448 2.021 295 H LEU 39 H LEU 39 11.133 19.744 6.963 296 HA LEU 39 HA LEU 39 10.933 17.791 9.014 297 HB2 LEU 39 HB2 LEU 39 12.257 20.507 9.043 298 HB3 LEU 39 HB3 LEU 39 12.474 19.269 10.264 299 HG LEU 39 HG LEU 39 13.254 18.970 7.362 300 HD11 LEU 39 HD11 LEU 39 15.552 19.154 8.169 301 HD12 LEU 39 HD12 LEU 39 14.956 19.493 9.793 302 HD13 LEU 39 HD13 LEU 39 14.638 20.628 8.483 303 HD21 LEU 39 HD21 LEU 39 12.698 16.852 8.414 304 HD22 LEU 39 HD22 LEU 39 13.767 17.226 9.766 305 HD23 LEU 39 HD23 LEU 39 14.439 16.976 8.154 306 H ASN 40 H ASN 40 9.115 20.537 8.303 307 HA ASN 40 HA ASN 40 8.274 21.395 10.850 308 HB2 ASN 40 HB2 ASN 40 7.886 22.561 8.645 309 HB3 ASN 40 HB3 ASN 40 6.660 21.355 8.285 310 HD21 ASN 40 HD21 ASN 40 6.482 24.255 8.570 311 HD22 ASN 40 HD22 ASN 40 5.265 24.536 9.767 312 H ARG 41 H ARG 41 7.198 18.838 8.687 313 HA ARG 41 HA ARG 41 4.908 18.038 10.152 314 HB2 ARG 41 HB2 ARG 41 6.645 16.355 8.337 315 HB3 ARG 41 HB3 ARG 41 4.996 15.996 8.824 316 HG2 ARG 41 HG2 ARG 41 4.189 17.930 7.608 317 HG3 ARG 41 HG3 ARG 41 5.844 18.358 7.163 318 HD2 ARG 41 HD2 ARG 41 6.061 16.194 6.001 319 HD3 ARG 41 HD3 ARG 41 4.381 15.837 6.394 320 HE ARG 41 HE ARG 41 4.067 18.120 5.094 321 HH11 ARG 41 HH11 ARG 41 6.148 15.408 4.333 322 HH12 ARG 41 HH12 ARG 41 6.087 15.667 2.618 323 HH21 ARG 41 HH21 ARG 41 3.963 18.464 2.853 324 HH22 ARG 41 HH22 ARG 41 4.822 17.410 1.764 325 H GLY 42 H GLY 42 8.299 17.076 10.217 326 HA2 GLY 42 HA2 GLY 42 8.413 16.366 12.867 327 HA3 GLY 42 HA3 GLY 42 7.908 14.907 12.025 328 H VAL 43 H VAL 43 9.315 14.072 10.344 329 HA VAL 43 HA VAL 43 12.114 14.868 10.638 330 HB VAL 43 HB VAL 43 11.936 13.159 12.280 331 HG11 VAL 43 HG11 VAL 43 11.000 10.953 11.859 332 HG12 VAL 43 HG12 VAL 43 10.563 11.442 10.221 333 HG13 VAL 43 HG13 VAL 43 9.797 12.216 11.609 334 HG21 VAL 43 HG21 VAL 43 13.033 11.915 9.779 335 HG22 VAL 43 HG22 VAL 43 13.372 11.394 11.429 336 HG23 VAL 43 HG23 VAL 43 13.903 12.984 10.880 337 H SER 44 H SER 44 13.344 14.596 8.866 338 HA SER 44 HA SER 44 12.349 13.018 6.614 339 HB2 SER 44 HB2 SER 44 13.307 15.888 6.369 340 HB3 SER 44 HB3 SER 44 12.812 14.841 5.036 341 HG SER 44 HG SER 44 10.830 14.804 6.736 342 H PHE 45 H PHE 45 14.238 12.966 4.882 343 HA PHE 45 HA PHE 45 16.537 12.033 6.315 344 HB2 PHE 45 HB2 PHE 45 15.976 12.271 3.358 345 HB3 PHE 45 HB3 PHE 45 17.467 11.596 4.017 346 HD1 PHE 45 HD1 PHE 45 17.031 9.780 5.917 347 HD2 PHE 45 HD2 PHE 45 14.331 10.771 2.779 348 HE1 PHE 45 HE1 PHE 45 15.936 7.595 6.178 349 HE2 PHE 45 HE2 PHE 45 13.225 8.589 3.034 350 HZ PHE 45 HZ PHE 45 14.029 7.002 4.750 351 H ALA 46 H ALA 46 18.579 12.882 6.417 352 HA ALA 46 HA ALA 46 18.673 15.770 6.111 353 HB1 ALA 46 HB1 ALA 46 19.425 14.744 8.208 354 HB2 ALA 46 HB2 ALA 46 20.719 15.650 7.424 355 HB3 ALA 46 HB3 ALA 46 20.693 13.888 7.328 356 H GLU 47 H GLU 47 20.382 12.924 4.930 357 HA GLU 47 HA GLU 47 22.154 14.586 3.324 358 HB2 GLU 47 HB2 GLU 47 22.094 11.605 3.824 359 HB3 GLU 47 HB3 GLU 47 23.285 12.424 2.819 360 HG2 GLU 47 HG2 GLU 47 22.853 13.125 5.705 361 HG3 GLU 47 HG3 GLU 47 23.966 11.861 5.189 362 H GLU 48 H GLU 48 22.673 13.499 1.109 363 HA GLU 48 HA GLU 48 20.279 13.585 -0.456 364 HB2 GLU 48 HB2 GLU 48 21.862 13.144 -2.361 365 HB3 GLU 48 HB3 GLU 48 22.235 14.566 -1.398 366 HG2 GLU 48 HG2 GLU 48 23.964 13.312 -0.213 367 HG3 GLU 48 HG3 GLU 48 23.589 11.886 -1.179 368 H ASN 49 H ASN 49 19.705 11.607 1.125 369 HA ASN 49 HA ASN 49 20.582 9.044 0.191 370 HB2 ASN 49 HB2 ASN 49 18.500 9.951 2.154 371 HB3 ASN 49 HB3 ASN 49 18.578 8.269 1.638 372 HD21 ASN 49 HD21 ASN 49 20.360 7.019 2.194 373 HD22 ASN 49 HD22 ASN 49 21.464 7.501 3.435 374 H GLU 50 H GLU 50 20.127 9.061 -2.009 375 HA GLU 50 HA GLU 50 17.330 9.057 -2.805 376 HB2 GLU 50 HB2 GLU 50 18.457 8.553 -5.113 377 HB3 GLU 50 HB3 GLU 50 18.524 10.173 -4.442 378 HG2 GLU 50 HG2 GLU 50 20.666 9.655 -5.316 379 HG3 GLU 50 HG3 GLU 50 20.789 9.642 -3.560 380 H SER 51 H SER 51 19.167 7.046 -1.296 381 HA SER 51 HA SER 51 17.802 4.683 -2.372 382 HB2 SER 51 HB2 SER 51 20.611 4.743 -1.226 383 HB3 SER 51 HB3 SER 51 19.756 3.315 -1.810 384 HG SER 51 HG SER 51 20.460 5.592 -3.372 385 H LEU 52 H LEU 52 17.108 3.212 -0.772 386 HA LEU 52 HA LEU 52 17.129 4.349 1.940 387 HB2 LEU 52 HB2 LEU 52 14.830 3.284 2.159 388 HB3 LEU 52 HB3 LEU 52 14.951 4.720 1.158 389 HG LEU 52 HG LEU 52 15.071 3.135 -0.841 390 HD11 LEU 52 HD11 LEU 52 14.007 0.942 -0.525 391 HD12 LEU 52 HD12 LEU 52 14.058 1.185 1.221 392 HD13 LEU 52 HD13 LEU 52 15.558 1.067 0.304 393 HD21 LEU 52 HD21 LEU 52 12.625 2.898 -0.898 394 HD22 LEU 52 HD22 LEU 52 13.139 4.493 -0.353 395 HD23 LEU 52 HD23 LEU 52 12.563 3.309 0.817 396 H ASP 53 H ASP 53 18.471 2.059 0.246 397 HA ASP 53 HA ASP 53 18.537 0.186 2.500 398 HB2 ASP 53 HB2 ASP 53 16.948 -0.660 0.726 399 HB3 ASP 53 HB3 ASP 53 18.313 -0.730 -0.380 400 H ASP 54 H ASP 54 20.343 2.262 1.677 401 HA ASP 54 HA ASP 54 22.575 0.866 0.456 402 HB2 ASP 54 HB2 ASP 54 23.777 3.061 0.788 403 HB3 ASP 54 HB3 ASP 54 22.359 3.128 -0.250 404 H GLN 55 H GLN 55 23.185 3.077 3.108 405 HA GLN 55 HA GLN 55 23.330 1.187 5.174 406 HB2 GLN 55 HB2 GLN 55 25.922 1.281 5.391 407 HB3 GLN 55 HB3 GLN 55 25.171 0.091 4.346 408 HG2 GLN 55 HG2 GLN 55 27.094 0.996 3.263 409 HG3 GLN 55 HG3 GLN 55 25.654 1.526 2.408 410 HE21 GLN 55 HE21 GLN 55 28.239 2.488 4.542 411 HE22 GLN 55 HE22 GLN 55 28.107 4.188 4.242 412 H ASN 56 H ASN 56 23.903 4.315 3.913 413 HA ASN 56 HA ASN 56 24.489 5.283 6.634 414 HB2 ASN 56 HB2 ASN 56 26.227 5.811 4.906 415 HB3 ASN 56 HB3 ASN 56 25.009 6.737 4.032 416 HD21 ASN 56 HD21 ASN 56 24.336 8.714 4.844 417 HD22 ASN 56 HD22 ASN 56 25.190 9.545 6.101 418 H ILE 57 H ILE 57 22.317 5.208 7.211 419 HA ILE 57 HA ILE 57 20.454 6.875 5.702 420 HB ILE 57 HB ILE 57 20.025 4.934 7.980 421 HG12 ILE 57 HG12 ILE 57 20.509 3.865 5.843 422 HG13 ILE 57 HG13 ILE 57 18.822 3.609 6.281 423 HG21 ILE 57 HG21 ILE 57 17.563 5.260 7.405 424 HG22 ILE 57 HG22 ILE 57 18.069 6.762 6.625 425 HG23 ILE 57 HG23 ILE 57 18.358 6.519 8.356 426 HD11 ILE 57 HD11 ILE 57 19.856 5.611 4.287 427 HD12 ILE 57 HD12 ILE 57 18.164 5.394 4.738 428 HD13 ILE 57 HD13 ILE 57 19.033 4.093 3.923 429 H SER 58 H SER 58 21.304 8.907 6.259 430 HA SER 58 HA SER 58 21.259 9.664 9.067 431 HB2 SER 58 HB2 SER 58 22.018 11.286 6.625 432 HB3 SER 58 HB3 SER 58 22.223 11.792 8.304 433 HG SER 58 HG SER 58 24.147 10.905 7.394 434 H ILE 59 H ILE 59 19.271 9.977 9.812 435 HA ILE 59 HA ILE 59 17.324 11.420 8.154 436 HB ILE 59 HB ILE 59 16.504 10.271 10.774 437 HG12 ILE 59 HG12 ILE 59 16.986 8.511 8.354 438 HG13 ILE 59 HG13 ILE 59 17.985 8.511 9.804 439 HG21 ILE 59 HG21 ILE 59 14.490 9.699 9.487 440 HG22 ILE 59 HG22 ILE 59 15.266 10.290 8.018 441 HG23 ILE 59 HG23 ILE 59 14.899 11.407 9.339 442 HD11 ILE 59 HD11 ILE 59 15.073 7.767 9.661 443 HD12 ILE 59 HD12 ILE 59 16.056 7.788 11.126 444 HD13 ILE 59 HD13 ILE 59 16.433 6.655 9.829 445 H ALA 60 H ALA 60 16.475 13.369 8.838 446 HA ALA 60 HA ALA 60 17.918 14.619 11.077 447 HB1 ALA 60 HB1 ALA 60 18.280 15.680 8.918 448 HB2 ALA 60 HB2 ALA 60 17.390 16.757 9.997 449 HB3 ALA 60 HB3 ALA 60 16.541 15.892 8.714 450 H GLY 61 H GLY 61 16.854 15.065 12.860 451 HA2 GLY 61 HA2 GLY 61 13.966 15.622 12.693 452 HA3 GLY 61 HA3 GLY 61 14.578 14.490 13.894 453 H HIS 62 H HIS 62 13.326 16.364 15.131 454 HA HIS 62 HA HIS 62 15.359 17.987 16.361 455 HB2 HIS 62 HB2 HIS 62 14.255 20.157 15.928 456 HB3 HIS 62 HB3 HIS 62 14.840 19.414 14.444 457 HD1 HIS 62 HD1 HIS 62 11.665 20.264 16.273 458 HD2 HIS 62 HD2 HIS 62 12.875 18.743 12.591 459 HE1 HIS 62 HE1 HIS 62 9.606 20.265 14.821 460 H THR 63 H THR 63 14.659 18.978 18.302 461 HA THR 63 HA THR 63 12.470 17.718 19.625 462 HB THR 63 HB THR 63 13.664 20.275 20.634 463 HG1 THR 63 HG1 THR 63 15.016 17.758 20.549 464 HG21 THR 63 HG21 THR 63 12.005 19.088 21.987 465 HG22 THR 63 HG22 THR 63 13.583 19.067 22.772 466 HG23 THR 63 HG23 THR 63 12.996 17.629 21.935 467 H PHE 64 H PHE 64 10.632 18.961 20.580 468 HA PHE 64 HA PHE 64 9.972 21.469 19.259 469 HB2 PHE 64 HB2 PHE 64 9.012 19.392 17.982 470 HB3 PHE 64 HB3 PHE 64 7.873 19.315 19.322 471 HD1 PHE 64 HD1 PHE 64 9.033 21.331 16.479 472 HD2 PHE 64 HD2 PHE 64 6.096 20.889 19.525 473 HE1 PHE 64 HE1 PHE 64 7.633 23.019 15.368 474 HE2 PHE 64 HE2 PHE 64 4.687 22.573 18.416 475 HZ PHE 64 HZ PHE 64 5.455 23.642 16.336 476 H ILE 65 H ILE 65 9.469 22.803 20.878 477 HA ILE 65 HA ILE 65 9.023 21.662 23.502 478 HB ILE 65 HB ILE 65 10.645 23.503 23.123 479 HG12 ILE 65 HG12 ILE 65 9.995 24.851 25.096 480 HG13 ILE 65 HG13 ILE 65 8.377 24.160 25.018 481 HG21 ILE 65 HG21 ILE 65 8.181 25.171 22.648 482 HG22 ILE 65 HG22 ILE 65 9.431 24.779 21.467 483 HG23 ILE 65 HG23 ILE 65 9.818 25.799 22.854 484 HD11 ILE 65 HD11 ILE 65 10.930 22.651 25.540 485 HD12 ILE 65 HD12 ILE 65 9.320 21.939 25.429 486 HD13 ILE 65 HD13 ILE 65 9.695 23.072 26.729 487 H ASP 66 H ASP 66 7.100 23.073 21.042 488 HA ASP 66 HA ASP 66 5.069 24.063 22.832 489 HB2 ASP 66 HB2 ASP 66 5.090 23.809 19.822 490 HB3 ASP 66 HB3 ASP 66 3.808 24.574 20.753 491 H ARG 67 H ARG 67 5.571 21.195 20.872 492 HA ARG 67 HA ARG 67 3.137 20.048 22.041 493 HB2 ARG 67 HB2 ARG 67 3.945 19.822 19.135 494 HB3 ARG 67 HB3 ARG 67 2.646 18.913 19.889 495 HG2 ARG 67 HG2 ARG 67 2.754 21.906 19.594 496 HG3 ARG 67 HG3 ARG 67 1.806 20.800 18.600 497 HD2 ARG 67 HD2 ARG 67 1.488 21.280 21.561 498 HD3 ARG 67 HD3 ARG 67 0.403 21.832 20.288 499 HE ARG 67 HE ARG 67 0.749 19.051 21.177 500 HH11 ARG 67 HH11 ARG 67 -1.015 21.466 19.369 501 HH12 ARG 67 HH12 ARG 67 -2.405 20.456 19.121 502 HH21 ARG 67 HH21 ARG 67 -1.074 17.716 20.865 503 HH22 ARG 67 HH22 ARG 67 -2.451 18.328 19.988 504 HA PRO 68 HA PRO 68 6.229 16.896 22.883 505 HB2 PRO 68 HB2 PRO 68 4.149 15.502 24.343 506 HB3 PRO 68 HB3 PRO 68 5.583 16.323 24.973 507 HG2 PRO 68 HG2 PRO 68 3.047 17.223 25.376 508 HG3 PRO 68 HG3 PRO 68 4.461 18.288 25.323 509 HD2 PRO 68 HD2 PRO 68 2.424 17.735 23.199 510 HD3 PRO 68 HD3 PRO 68 3.190 19.271 23.658 511 H ASN 69 H ASN 69 3.296 16.573 21.193 512 HA ASN 69 HA ASN 69 3.283 13.692 21.096 513 HB2 ASN 69 HB2 ASN 69 1.256 15.361 21.024 514 HB3 ASN 69 HB3 ASN 69 1.582 15.360 19.292 515 HD21 ASN 69 HD21 ASN 69 2.054 12.657 21.486 516 HD22 ASN 69 HD22 ASN 69 0.845 11.636 20.780 517 H TYR 70 H TYR 70 5.420 15.510 19.789 518 HA TYR 70 HA TYR 70 5.363 14.526 17.069 519 HB2 TYR 70 HB2 TYR 70 7.232 16.252 18.657 520 HB3 TYR 70 HB3 TYR 70 7.801 15.502 17.169 521 HD1 TYR 70 HD1 TYR 70 4.860 17.477 18.395 522 HD2 TYR 70 HD2 TYR 70 7.602 16.720 15.230 523 HE1 TYR 70 HE1 TYR 70 3.848 19.297 17.087 524 HE2 TYR 70 HE2 TYR 70 6.598 18.538 13.916 525 HH TYR 70 HH TYR 70 4.605 19.799 13.748 526 H GLN 71 H GLN 71 7.975 13.761 16.638 527 HA GLN 71 HA GLN 71 7.961 11.214 18.067 528 HB2 GLN 71 HB2 GLN 71 9.446 10.400 16.248 529 HB3 GLN 71 HB3 GLN 71 7.871 10.936 15.698 530 HG2 GLN 71 HG2 GLN 71 10.358 12.619 15.517 531 HG3 GLN 71 HG3 GLN 71 9.799 11.552 14.234 532 HE21 GLN 71 HE21 GLN 71 7.881 12.066 13.132 533 HE22 GLN 71 HE22 GLN 71 7.221 13.663 13.159 534 H PHE 72 H PHE 72 10.284 13.726 17.083 535 HA PHE 72 HA PHE 72 12.363 12.479 18.667 536 HB2 PHE 72 HB2 PHE 72 12.239 14.797 16.778 537 HB3 PHE 72 HB3 PHE 72 13.604 14.652 17.878 538 HD1 PHE 72 HD1 PHE 72 11.666 12.360 15.630 539 HD2 PHE 72 HD2 PHE 72 15.468 13.718 16.980 540 HE1 PHE 72 HE1 PHE 72 12.768 10.834 14.051 541 HE2 PHE 72 HE2 PHE 72 16.578 12.188 15.402 542 HZ PHE 72 HZ PHE 72 15.226 10.743 13.935 543 H THR 73 H THR 73 9.902 13.746 19.868 544 HA THR 73 HA THR 73 11.012 15.915 21.448 545 HB THR 73 HB THR 73 8.643 15.664 22.548 546 HG1 THR 73 HG1 THR 73 7.289 14.356 21.527 547 HG21 THR 73 HG21 THR 73 9.303 17.563 21.167 548 HG22 THR 73 HG22 THR 73 7.663 17.051 20.761 549 HG23 THR 73 HG23 THR 73 9.010 16.620 19.706 550 H ASN 74 H ASN 74 10.154 12.525 21.779 551 HA ASN 74 HA ASN 74 10.632 12.667 24.676 552 HB2 ASN 74 HB2 ASN 74 8.474 11.704 23.769 553 HB3 ASN 74 HB3 ASN 74 9.422 10.367 23.134 554 HD21 ASN 74 HD21 ASN 74 8.284 8.916 24.415 555 HD22 ASN 74 HD22 ASN 74 8.569 8.777 26.116 556 H LEU 75 H LEU 75 12.652 12.495 22.396 557 HA LEU 75 HA LEU 75 13.868 9.961 22.458 558 HB2 LEU 75 HB2 LEU 75 14.648 12.657 21.530 559 HB3 LEU 75 HB3 LEU 75 15.956 11.529 21.840 560 HG LEU 75 HG LEU 75 13.637 11.038 19.972 561 HD11 LEU 75 HD11 LEU 75 15.151 12.726 19.119 562 HD12 LEU 75 HD12 LEU 75 15.338 11.218 18.220 563 HD13 LEU 75 HD13 LEU 75 16.530 11.675 19.439 564 HD21 LEU 75 HD21 LEU 75 14.885 9.065 19.293 565 HD22 LEU 75 HD22 LEU 75 14.494 8.989 21.011 566 HD23 LEU 75 HD23 LEU 75 16.125 9.418 20.494 567 H LYS 76 H LYS 76 13.649 12.176 24.957 568 HA LYS 76 HA LYS 76 16.194 11.697 26.179 569 HB2 LYS 76 HB2 LYS 76 15.226 12.738 28.179 570 HB3 LYS 76 HB3 LYS 76 14.941 13.709 26.745 571 HG2 LYS 76 HG2 LYS 76 12.790 11.826 27.400 572 HG3 LYS 76 HG3 LYS 76 13.065 13.094 28.592 573 HD2 LYS 76 HD2 LYS 76 12.922 14.769 26.765 574 HD3 LYS 76 HD3 LYS 76 12.513 13.465 25.651 575 HE2 LYS 76 HE2 LYS 76 10.501 14.602 26.386 576 HE3 LYS 76 HE3 LYS 76 10.526 12.951 27.001 577 HZ1 LYS 76 HZ1 LYS 76 9.811 14.639 28.650 578 HZ2 LYS 76 HZ2 LYS 76 11.361 15.324 28.589 579 HZ3 LYS 76 HZ3 LYS 76 11.155 13.735 29.148 580 H ALA 77 H ALA 77 13.282 9.941 25.912 581 HA ALA 77 HA ALA 77 13.817 8.302 28.267 582 HB1 ALA 77 HB1 ALA 77 11.568 8.172 26.263 583 HB2 ALA 77 HB2 ALA 77 11.514 8.964 27.837 584 HB3 ALA 77 HB3 ALA 77 11.689 7.213 27.737 585 H ALA 78 H ALA 78 15.131 8.397 25.338 586 HA ALA 78 HA ALA 78 15.082 5.515 24.827 587 HB1 ALA 78 HB1 ALA 78 14.757 7.003 22.904 588 HB2 ALA 78 HB2 ALA 78 16.227 6.039 22.739 589 HB3 ALA 78 HB3 ALA 78 16.332 7.739 23.211 590 H LYS 79 H LYS 79 16.965 4.264 24.810 591 HA LYS 79 HA LYS 79 19.197 5.441 26.336 592 HB2 LYS 79 HB2 LYS 79 18.335 2.543 26.392 593 HB3 LYS 79 HB3 LYS 79 19.559 3.300 27.395 594 HG2 LYS 79 HG2 LYS 79 17.748 3.057 28.813 595 HG3 LYS 79 HG3 LYS 79 17.641 4.741 28.297 596 HD2 LYS 79 HD2 LYS 79 15.923 4.194 26.700 597 HD3 LYS 79 HD3 LYS 79 16.114 2.471 27.026 598 HE2 LYS 79 HE2 LYS 79 15.281 2.760 29.267 599 HE3 LYS 79 HE3 LYS 79 15.218 4.512 29.054 600 HZ1 LYS 79 HZ1 LYS 79 13.501 4.295 27.459 601 HZ2 LYS 79 HZ2 LYS 79 13.047 3.337 28.783 602 HZ3 LYS 79 HZ3 LYS 79 13.669 2.609 27.378 603 H LYS 80 H LYS 80 21.201 4.012 26.109 604 HA LYS 80 HA LYS 80 21.905 3.864 23.341 605 HB2 LYS 80 HB2 LYS 80 24.111 3.363 24.051 606 HB3 LYS 80 HB3 LYS 80 23.477 4.500 25.228 607 HG2 LYS 80 HG2 LYS 80 23.688 1.516 25.596 608 HG3 LYS 80 HG3 LYS 80 24.772 2.723 26.283 609 HD2 LYS 80 HD2 LYS 80 22.881 3.672 27.540 610 HD3 LYS 80 HD3 LYS 80 21.828 2.424 26.873 611 HE2 LYS 80 HE2 LYS 80 24.219 2.010 28.659 612 HE3 LYS 80 HE3 LYS 80 22.525 1.807 29.096 613 HZ1 LYS 80 HZ1 LYS 80 22.345 -0.046 27.625 614 HZ2 LYS 80 HZ2 LYS 80 23.700 -0.299 28.611 615 HZ3 LYS 80 HZ3 LYS 80 23.903 0.209 27.011 616 H GLY 81 H GLY 81 20.195 1.811 25.224 617 HA2 GLY 81 HA2 GLY 81 20.937 -0.473 23.511 618 HA3 GLY 81 HA3 GLY 81 20.588 -0.690 25.217 619 H SER 82 H SER 82 18.752 1.609 23.360 620 HA SER 82 HA SER 82 16.347 0.156 23.864 621 HB2 SER 82 HB2 SER 82 16.919 2.722 22.370 622 HB3 SER 82 HB3 SER 82 15.298 2.082 22.647 623 HG SER 82 HG SER 82 15.581 2.323 24.835 624 H MET 83 H MET 83 14.903 0.730 21.573 625 HA MET 83 HA MET 83 16.196 -0.959 19.542 626 HB2 MET 83 HB2 MET 83 14.349 -1.988 21.218 627 HB3 MET 83 HB3 MET 83 13.293 -1.359 19.955 628 HG2 MET 83 HG2 MET 83 13.853 -3.663 19.510 629 HG3 MET 83 HG3 MET 83 14.563 -2.613 18.282 630 HE1 MET 83 HE1 MET 83 16.002 -4.902 17.728 631 HE2 MET 83 HE2 MET 83 17.694 -4.586 18.115 632 HE3 MET 83 HE3 MET 83 16.706 -3.323 17.379 633 H VAL 84 H VAL 84 16.214 -0.010 17.677 634 HA VAL 84 HA VAL 84 14.160 2.010 17.063 635 HB VAL 84 HB VAL 84 16.910 1.638 15.847 636 HG11 VAL 84 HG11 VAL 84 14.853 3.797 15.372 637 HG12 VAL 84 HG12 VAL 84 15.302 2.527 14.234 638 HG13 VAL 84 HG13 VAL 84 16.481 3.754 14.694 639 HG21 VAL 84 HG21 VAL 84 17.013 2.499 18.130 640 HG22 VAL 84 HG22 VAL 84 15.864 3.769 17.713 641 HG23 VAL 84 HG23 VAL 84 17.461 3.749 16.968 642 H TYR 85 H TYR 85 12.570 1.122 15.908 643 HA TYR 85 HA TYR 85 13.189 -1.021 14.023 644 HB2 TYR 85 HB2 TYR 85 10.563 0.089 15.025 645 HB3 TYR 85 HB3 TYR 85 10.692 -1.167 13.795 646 HD1 TYR 85 HD1 TYR 85 12.077 -3.264 14.455 647 HD2 TYR 85 HD2 TYR 85 10.433 -0.529 17.265 648 HE1 TYR 85 HE1 TYR 85 12.199 -4.996 16.206 649 HE2 TYR 85 HE2 TYR 85 10.556 -2.243 19.021 650 HH TYR 85 HH TYR 85 12.255 -5.201 18.602 651 H PHE 86 H PHE 86 13.576 -0.581 11.997 652 HA PHE 86 HA PHE 86 12.433 1.892 10.885 653 HB2 PHE 86 HB2 PHE 86 14.942 1.819 10.979 654 HB3 PHE 86 HB3 PHE 86 14.890 0.452 9.869 655 HD1 PHE 86 HD1 PHE 86 13.360 3.847 10.110 656 HD2 PHE 86 HD2 PHE 86 15.316 0.965 7.663 657 HE1 PHE 86 HE1 PHE 86 13.285 5.413 8.216 658 HE2 PHE 86 HE2 PHE 86 15.244 2.529 5.763 659 HZ PHE 86 HZ PHE 86 14.227 4.755 6.037 660 H LYS 87 H LYS 87 10.731 1.458 9.771 661 HA LYS 87 HA LYS 87 10.557 -0.998 8.181 662 HB2 LYS 87 HB2 LYS 87 8.506 1.038 9.077 663 HB3 LYS 87 HB3 LYS 87 8.143 -0.313 8.020 664 HG2 LYS 87 HG2 LYS 87 8.332 -1.862 9.697 665 HG3 LYS 87 HG3 LYS 87 9.423 -0.851 10.646 666 HD2 LYS 87 HD2 LYS 87 7.138 -1.091 11.622 667 HD3 LYS 87 HD3 LYS 87 7.632 0.576 11.326 668 HE2 LYS 87 HE2 LYS 87 6.272 0.711 9.368 669 HE3 LYS 87 HE3 LYS 87 5.932 -1.024 9.420 670 HZ1 LYS 87 HZ1 LYS 87 5.081 0.945 11.484 671 HZ2 LYS 87 HZ2 LYS 87 4.712 -0.707 11.467 672 HZ3 LYS 87 HZ3 LYS 87 4.081 0.311 10.266 673 H VAL 88 H VAL 88 10.190 -0.890 5.963 674 HA VAL 88 HA VAL 88 9.606 1.628 4.702 675 HB VAL 88 HB VAL 88 11.967 1.940 4.802 676 HG11 VAL 88 HG11 VAL 88 13.602 0.362 3.967 677 HG12 VAL 88 HG12 VAL 88 12.322 -0.766 3.525 678 HG13 VAL 88 HG13 VAL 88 12.621 -0.394 5.222 679 HG21 VAL 88 HG21 VAL 88 11.235 0.974 2.043 680 HG22 VAL 88 HG22 VAL 88 12.563 2.065 2.447 681 HG23 VAL 88 HG23 VAL 88 10.893 2.572 2.710 682 H GLY 89 H GLY 89 8.049 1.118 3.367 683 HA2 GLY 89 HA2 GLY 89 6.723 -0.078 1.908 684 HA3 GLY 89 HA3 GLY 89 8.178 -0.938 1.421 685 H ASN 90 H ASN 90 8.546 -2.963 2.179 686 HA ASN 90 HA ASN 90 6.783 -3.983 4.303 687 HB2 ASN 90 HB2 ASN 90 7.595 -5.318 1.725 688 HB3 ASN 90 HB3 ASN 90 7.075 -6.257 3.119 689 HD21 ASN 90 HD21 ASN 90 5.086 -4.421 4.041 690 HD22 ASN 90 HD22 ASN 90 3.791 -4.451 2.898 691 H GLU 91 H GLU 91 9.734 -3.002 3.749 692 HA GLU 91 HA GLU 91 11.202 -5.271 4.840 693 HB2 GLU 91 HB2 GLU 91 12.172 -2.500 4.117 694 HB3 GLU 91 HB3 GLU 91 13.185 -3.875 4.529 695 HG2 GLU 91 HG2 GLU 91 11.360 -3.756 2.143 696 HG3 GLU 91 HG3 GLU 91 13.082 -3.383 2.109 697 H THR 92 H THR 92 11.942 -5.357 6.921 698 HA THR 92 HA THR 92 11.803 -2.964 8.582 699 HB THR 92 HB THR 92 10.497 -5.560 9.434 700 HG1 THR 92 HG1 THR 92 9.562 -3.554 7.921 701 HG21 THR 92 HG21 THR 92 9.695 -4.239 11.344 702 HG22 THR 92 HG22 THR 92 10.593 -2.840 10.754 703 HG23 THR 92 HG23 THR 92 11.459 -4.280 11.290 704 H ARG 93 H ARG 93 13.680 -2.781 9.585 705 HA ARG 93 HA ARG 93 15.108 -5.256 10.311 706 HB2 ARG 93 HB2 ARG 93 16.339 -2.653 9.377 707 HB3 ARG 93 HB3 ARG 93 17.239 -4.042 9.964 708 HG2 ARG 93 HG2 ARG 93 17.420 -4.264 7.678 709 HG3 ARG 93 HG3 ARG 93 16.049 -5.314 8.037 710 HD2 ARG 93 HD2 ARG 93 14.539 -3.416 7.466 711 HD3 ARG 93 HD3 ARG 93 15.957 -2.494 6.969 712 HE ARG 93 HE ARG 93 14.939 -4.919 5.642 713 HH11 ARG 93 HH11 ARG 93 16.946 -2.049 5.613 714 HH12 ARG 93 HH12 ARG 93 17.253 -2.134 3.902 715 HH21 ARG 93 HH21 ARG 93 15.311 -4.988 3.366 716 HH22 ARG 93 HH22 ARG 93 16.346 -3.783 2.650 717 H LYS 94 H LYS 94 16.454 -5.101 12.215 718 HA LYS 94 HA LYS 94 15.269 -3.250 14.157 719 HB2 LYS 94 HB2 LYS 94 16.936 -5.443 15.196 720 HB3 LYS 94 HB3 LYS 94 15.363 -4.878 15.731 721 HG2 LYS 94 HG2 LYS 94 14.835 -6.977 15.020 722 HG3 LYS 94 HG3 LYS 94 14.545 -6.067 13.535 723 HD2 LYS 94 HD2 LYS 94 15.802 -8.048 12.997 724 HD3 LYS 94 HD3 LYS 94 16.849 -6.642 12.798 725 HE2 LYS 94 HE2 LYS 94 17.828 -7.074 15.012 726 HE3 LYS 94 HE3 LYS 94 16.798 -8.497 15.182 727 HZ1 LYS 94 HZ1 LYS 94 18.856 -9.305 14.444 728 HZ2 LYS 94 HZ2 LYS 94 19.041 -8.070 13.299 729 HZ3 LYS 94 HZ3 LYS 94 17.888 -9.293 13.047 730 H TYR 95 H TYR 95 16.471 -1.693 15.033 731 HA TYR 95 HA TYR 95 19.398 -1.899 14.785 732 HB2 TYR 95 HB2 TYR 95 17.690 0.575 14.410 733 HB3 TYR 95 HB3 TYR 95 19.451 0.551 14.405 734 HD1 TYR 95 HD1 TYR 95 16.423 -0.340 12.526 735 HD2 TYR 95 HD2 TYR 95 20.673 -0.319 12.517 736 HE1 TYR 95 HE1 TYR 95 16.414 -0.825 10.112 737 HE2 TYR 95 HE2 TYR 95 20.679 -0.805 10.108 738 HH TYR 95 HH TYR 95 19.249 -1.776 8.431 739 H LYS 96 H LYS 96 20.596 -0.750 16.436 740 HA LYS 96 HA LYS 96 18.992 -0.099 18.810 741 HB2 LYS 96 HB2 LYS 96 20.031 -2.333 19.063 742 HB3 LYS 96 HB3 LYS 96 21.611 -1.609 18.806 743 HG2 LYS 96 HG2 LYS 96 21.472 -0.388 20.841 744 HG3 LYS 96 HG3 LYS 96 19.777 -0.822 21.056 745 HD2 LYS 96 HD2 LYS 96 22.087 -2.761 21.060 746 HD3 LYS 96 HD3 LYS 96 21.275 -2.138 22.497 747 HE2 LYS 96 HE2 LYS 96 19.906 -3.688 20.300 748 HE3 LYS 96 HE3 LYS 96 20.500 -4.403 21.797 749 HZ1 LYS 96 HZ1 LYS 96 18.115 -3.892 21.867 750 HZ2 LYS 96 HZ2 LYS 96 18.458 -2.243 21.651 751 HZ3 LYS 96 HZ3 LYS 96 18.984 -3.047 23.050 752 H MET 97 H MET 97 19.960 1.433 20.230 753 HA MET 97 HA MET 97 21.275 3.492 18.667 754 HB2 MET 97 HB2 MET 97 20.327 3.669 21.538 755 HB3 MET 97 HB3 MET 97 20.584 4.992 20.401 756 HG2 MET 97 HG2 MET 97 18.734 4.164 19.029 757 HG3 MET 97 HG3 MET 97 18.469 2.860 20.180 758 HE1 MET 97 HE1 MET 97 19.213 6.723 20.542 759 HE2 MET 97 HE2 MET 97 17.585 7.318 20.869 760 HE3 MET 97 HE3 MET 97 17.958 6.581 19.310 761 H THR 98 H THR 98 23.153 1.874 18.711 762 HA THR 98 HA THR 98 24.564 1.333 21.089 763 HB THR 98 HB THR 98 26.360 0.546 19.548 764 HG1 THR 98 HG1 THR 98 25.954 0.729 17.296 765 HG21 THR 98 HG21 THR 98 25.048 -1.227 18.504 766 HG22 THR 98 HG22 THR 98 23.572 -0.288 18.730 767 HG23 THR 98 HG23 THR 98 24.445 -0.909 20.132 768 H SER 99 H SER 99 25.092 3.710 18.510 769 HA SER 99 HA SER 99 27.239 4.876 20.138 770 HB2 SER 99 HB2 SER 99 26.700 5.213 17.183 771 HB3 SER 99 HB3 SER 99 28.055 5.910 18.068 772 HG SER 99 HG SER 99 27.527 3.124 17.908 773 H ILE 100 H ILE 100 26.313 6.304 21.448 774 HA ILE 100 HA ILE 100 24.538 8.320 20.241 775 HB ILE 100 HB ILE 100 24.496 7.206 23.047 776 HG12 ILE 100 HG12 ILE 100 22.444 7.203 20.822 777 HG13 ILE 100 HG13 ILE 100 23.368 5.813 21.382 778 HG21 ILE 100 HG21 ILE 100 22.625 8.760 23.455 779 HG22 ILE 100 HG22 ILE 100 22.934 9.512 21.890 780 HG23 ILE 100 HG23 ILE 100 24.151 9.594 23.165 781 HD11 ILE 100 HD11 ILE 100 21.114 5.749 22.245 782 HD12 ILE 100 HD12 ILE 100 21.324 7.342 22.974 783 HD13 ILE 100 HD13 ILE 100 22.267 5.972 23.560 784 H ARG 101 H ARG 101 25.629 10.143 19.983 785 HA ARG 101 HA ARG 101 27.028 11.245 22.299 786 HB2 ARG 101 HB2 ARG 101 28.820 10.316 20.956 787 HB3 ARG 101 HB3 ARG 101 28.206 11.119 19.523 788 HG2 ARG 101 HG2 ARG 101 28.748 13.283 20.459 789 HG3 ARG 101 HG3 ARG 101 29.283 12.520 21.959 790 HD2 ARG 101 HD2 ARG 101 30.507 12.053 19.240 791 HD3 ARG 101 HD3 ARG 101 31.152 13.148 20.461 792 HE ARG 101 HE ARG 101 30.867 10.633 21.644 793 HH11 ARG 101 HH11 ARG 101 32.785 12.123 19.112 794 HH12 ARG 101 HH12 ARG 101 34.140 11.059 19.340 795 HH21 ARG 101 HH21 ARG 101 32.617 9.255 21.946 796 HH22 ARG 101 HH22 ARG 101 34.045 9.414 20.966 797 H ASP 102 H ASP 102 26.884 13.421 22.461 798 HA ASP 102 HA ASP 102 25.016 14.674 20.570 799 HB2 ASP 102 HB2 ASP 102 24.552 16.271 22.516 800 HB3 ASP 102 HB3 ASP 102 23.906 14.638 22.629 801 H VAL 103 H VAL 103 25.717 16.221 19.378 802 HA VAL 103 HA VAL 103 28.452 17.056 19.590 803 HB VAL 103 HB VAL 103 26.373 18.070 17.652 804 HG11 VAL 103 HG11 VAL 103 28.293 18.467 16.195 805 HG12 VAL 103 HG12 VAL 103 29.374 17.857 17.449 806 HG13 VAL 103 HG13 VAL 103 28.458 19.341 17.720 807 HG21 VAL 103 HG21 VAL 103 26.372 15.631 17.608 808 HG22 VAL 103 HG22 VAL 103 28.126 15.628 17.395 809 HG23 VAL 103 HG23 VAL 103 27.087 16.288 16.132 810 H LYS 104 H LYS 104 29.116 18.719 20.721 811 HA LYS 104 HA LYS 104 27.283 20.949 21.209 812 HB2 LYS 104 HB2 LYS 104 28.996 21.658 22.923 813 HB3 LYS 104 HB3 LYS 104 28.155 20.160 23.281 814 HG2 LYS 104 HG2 LYS 104 30.834 20.147 21.942 815 HG3 LYS 104 HG3 LYS 104 30.685 20.296 23.691 816 HD2 LYS 104 HD2 LYS 104 29.488 18.042 22.081 817 HD3 LYS 104 HD3 LYS 104 31.064 17.964 22.865 818 HE2 LYS 104 HE2 LYS 104 29.704 16.961 24.434 819 HE3 LYS 104 HE3 LYS 104 29.753 18.627 25.003 820 HZ1 LYS 104 HZ1 LYS 104 27.567 17.419 23.390 821 HZ2 LYS 104 HZ2 LYS 104 27.604 19.013 23.963 822 HZ3 LYS 104 HZ3 LYS 104 27.513 17.722 25.054 823 HA PRO 105 HA PRO 105 29.047 23.168 17.941 824 HB2 PRO 105 HB2 PRO 105 28.870 25.727 19.048 825 HB3 PRO 105 HB3 PRO 105 27.611 24.897 18.133 826 HG2 PRO 105 HG2 PRO 105 27.946 25.172 21.078 827 HG3 PRO 105 HG3 PRO 105 26.461 25.136 20.111 828 HD2 PRO 105 HD2 PRO 105 27.253 23.023 21.558 829 HD3 PRO 105 HD3 PRO 105 26.448 22.825 19.989 830 H THR 106 H THR 106 31.163 22.528 17.918 831 HA THR 106 HA THR 106 33.027 24.504 19.043 832 HB THR 106 HB THR 106 33.478 21.528 18.707 833 HG1 THR 106 HG1 THR 106 33.898 23.041 21.060 834 HG21 THR 106 HG21 THR 106 35.752 21.951 19.575 835 HG22 THR 106 HG22 THR 106 35.453 23.685 19.473 836 HG23 THR 106 HG23 THR 106 35.485 22.709 18.006 837 H ASP 107 H ASP 107 32.557 22.064 16.491 838 HA ASP 107 HA ASP 107 33.563 23.971 14.535 839 HB2 ASP 107 HB2 ASP 107 35.539 22.644 15.203 840 HB3 ASP 107 HB3 ASP 107 34.676 21.164 14.791 841 H VAL 108 H VAL 108 32.719 23.651 12.462 842 HA VAL 108 HA VAL 108 30.331 22.013 12.413 843 HB VAL 108 HB VAL 108 31.374 24.395 10.957 844 HG11 VAL 108 HG11 VAL 108 29.226 22.621 9.835 845 HG12 VAL 108 HG12 VAL 108 30.836 22.870 9.162 846 HG13 VAL 108 HG13 VAL 108 29.692 24.211 9.225 847 HG21 VAL 108 HG21 VAL 108 29.911 24.688 12.861 848 HG22 VAL 108 HG22 VAL 108 28.685 23.671 12.105 849 HG23 VAL 108 HG23 VAL 108 29.111 25.224 11.386 850 H GLU 109 H GLU 109 33.508 22.169 11.076 851 HA GLU 109 HA GLU 109 32.879 20.386 8.844 852 HB2 GLU 109 HB2 GLU 109 35.443 21.818 9.570 853 HB3 GLU 109 HB3 GLU 109 35.127 20.953 8.070 854 HG2 GLU 109 HG2 GLU 109 33.647 22.560 7.305 855 HG3 GLU 109 HG3 GLU 109 33.378 23.215 8.920 856 H VAL 110 H VAL 110 32.730 19.363 11.470 857 HA VAL 110 HA VAL 110 35.154 17.962 12.132 858 HB VAL 110 HB VAL 110 33.477 18.805 13.805 859 HG11 VAL 110 HG11 VAL 110 31.866 16.431 12.892 860 HG12 VAL 110 HG12 VAL 110 31.438 18.126 12.675 861 HG13 VAL 110 HG13 VAL 110 31.513 17.436 14.296 862 HG21 VAL 110 HG21 VAL 110 33.714 16.919 15.333 863 HG22 VAL 110 HG22 VAL 110 35.205 17.201 14.436 864 HG23 VAL 110 HG23 VAL 110 34.143 15.869 13.983 865 H LEU 111 H LEU 111 33.269 17.473 9.626 866 HA LEU 111 HA LEU 111 32.579 14.701 9.845 867 HB2 LEU 111 HB2 LEU 111 32.732 16.527 7.444 868 HB3 LEU 111 HB3 LEU 111 32.171 14.870 7.377 869 HG LEU 111 HG LEU 111 30.226 16.170 7.395 870 HD11 LEU 111 HD11 LEU 111 30.074 14.304 8.922 871 HD12 LEU 111 HD12 LEU 111 29.146 15.671 9.539 872 HD13 LEU 111 HD13 LEU 111 30.721 15.292 10.232 873 HD21 LEU 111 HD21 LEU 111 31.238 18.298 8.033 874 HD22 LEU 111 HD22 LEU 111 31.361 17.744 9.703 875 HD23 LEU 111 HD23 LEU 111 29.776 17.976 8.966 876 H ASP 112 H ASP 112 33.511 12.969 8.650 877 HA ASP 112 HA ASP 112 36.250 13.442 7.706 878 HB2 ASP 112 HB2 ASP 112 36.095 12.363 10.045 879 HB3 ASP 112 HB3 ASP 112 35.493 10.936 9.210 880 H GLU 113 H GLU 113 37.007 11.818 6.187 881 HA GLU 113 HA GLU 113 34.783 11.016 4.463 882 HB2 GLU 113 HB2 GLU 113 37.664 11.666 3.889 883 HB3 GLU 113 HB3 GLU 113 36.598 10.941 2.689 884 HG2 GLU 113 HG2 GLU 113 36.107 13.570 4.074 885 HG3 GLU 113 HG3 GLU 113 36.784 13.383 2.456 886 H GLN 114 H GLN 114 36.657 9.550 6.693 887 HA GLN 114 HA GLN 114 37.003 7.055 5.258 888 HB2 GLN 114 HB2 GLN 114 37.130 7.642 8.223 889 HB3 GLN 114 HB3 GLN 114 37.581 6.121 7.465 890 HG2 GLN 114 HG2 GLN 114 39.489 7.010 6.511 891 HG3 GLN 114 HG3 GLN 114 38.897 8.668 6.630 892 HE21 GLN 114 HE21 GLN 114 38.962 9.726 8.591 893 HE22 GLN 114 HE22 GLN 114 39.976 9.194 9.897 894 H LYS 115 H LYS 115 35.133 6.215 4.552 895 HA LYS 115 HA LYS 115 32.729 6.538 6.192 896 HB2 LYS 115 HB2 LYS 115 32.734 5.404 3.424 897 HB3 LYS 115 HB3 LYS 115 31.481 6.328 4.232 898 HG2 LYS 115 HG2 LYS 115 34.061 7.370 3.085 899 HG3 LYS 115 HG3 LYS 115 32.437 7.639 2.466 900 HD2 LYS 115 HD2 LYS 115 33.420 8.594 5.151 901 HD3 LYS 115 HD3 LYS 115 33.407 9.576 3.690 902 HE2 LYS 115 HE2 LYS 115 30.919 9.135 3.573 903 HE3 LYS 115 HE3 LYS 115 31.056 8.459 5.197 904 HZ1 LYS 115 HZ1 LYS 115 30.454 10.696 5.485 905 HZ2 LYS 115 HZ2 LYS 115 31.565 11.247 4.329 906 HZ3 LYS 115 HZ3 LYS 115 32.117 10.658 5.816 907 H GLY 116 H GLY 116 34.718 4.574 6.921 908 HA2 GLY 116 HA2 GLY 116 33.803 1.980 6.089 909 HA3 GLY 116 HA3 GLY 116 34.975 2.317 7.354 910 H LYS 117 H LYS 117 31.598 1.947 6.585 911 HA LYS 117 HA LYS 117 31.020 1.556 9.442 912 HB2 LYS 117 HB2 LYS 117 29.385 3.190 7.494 913 HB3 LYS 117 HB3 LYS 117 28.815 2.689 9.077 914 HG2 LYS 117 HG2 LYS 117 31.182 4.475 8.551 915 HG3 LYS 117 HG3 LYS 117 29.579 5.004 9.067 916 HD2 LYS 117 HD2 LYS 117 29.882 3.490 11.077 917 HD3 LYS 117 HD3 LYS 117 31.573 3.347 10.591 918 HE2 LYS 117 HE2 LYS 117 31.758 5.818 10.690 919 HE3 LYS 117 HE3 LYS 117 30.104 5.882 11.302 920 HZ1 LYS 117 HZ1 LYS 117 30.973 4.324 13.111 921 HZ2 LYS 117 HZ2 LYS 117 31.408 5.954 13.197 922 HZ3 LYS 117 HZ3 LYS 117 32.523 4.809 12.619 923 H ASP 118 H ASP 118 28.513 0.817 9.458 924 HA ASP 118 HA ASP 118 28.160 -1.251 7.384 925 HB2 ASP 118 HB2 ASP 118 28.535 -1.938 9.892 926 HB3 ASP 118 HB3 ASP 118 26.875 -1.395 10.106 927 H LYS 119 H LYS 119 25.452 -1.794 8.019 928 HA LYS 119 HA LYS 119 24.146 0.543 6.964 929 HB2 LYS 119 HB2 LYS 119 23.089 -2.112 7.960 930 HB3 LYS 119 HB3 LYS 119 22.028 -0.817 7.427 931 HG2 LYS 119 HG2 LYS 119 22.221 -2.211 5.574 932 HG3 LYS 119 HG3 LYS 119 23.325 -0.880 5.234 933 HD2 LYS 119 HD2 LYS 119 24.559 -2.756 4.639 934 HD3 LYS 119 HD3 LYS 119 25.129 -2.414 6.273 935 HE2 LYS 119 HE2 LYS 119 22.987 -4.422 5.585 936 HE3 LYS 119 HE3 LYS 119 24.682 -4.825 5.838 937 HZ1 LYS 119 HZ1 LYS 119 24.480 -3.940 8.108 938 HZ2 LYS 119 HZ2 LYS 119 23.433 -5.245 7.825 939 HZ3 LYS 119 HZ3 LYS 119 22.821 -3.668 7.844 940 H GLN 120 H GLN 120 24.018 2.248 8.266 941 HA GLN 120 HA GLN 120 22.991 1.854 11.002 942 HB2 GLN 120 HB2 GLN 120 24.556 3.583 11.800 943 HB3 GLN 120 HB3 GLN 120 25.408 2.188 11.150 944 HG2 GLN 120 HG2 GLN 120 25.828 3.381 9.079 945 HG3 GLN 120 HG3 GLN 120 24.924 4.769 9.677 946 HE21 GLN 120 HE21 GLN 120 26.663 6.141 9.483 947 HE22 GLN 120 HE22 GLN 120 28.018 6.077 10.549 948 H LEU 121 H LEU 121 21.648 3.475 11.767 949 HA LEU 121 HA LEU 121 20.939 5.548 9.806 950 HB2 LEU 121 HB2 LEU 121 19.323 4.435 12.102 951 HB3 LEU 121 HB3 LEU 121 18.857 5.843 11.167 952 HG LEU 121 HG LEU 121 18.738 4.423 9.140 953 HD11 LEU 121 HD11 LEU 121 18.684 2.006 9.366 954 HD12 LEU 121 HD12 LEU 121 19.116 2.144 11.070 955 HD13 LEU 121 HD13 LEU 121 20.262 2.645 9.828 956 HD21 LEU 121 HD21 LEU 121 16.655 3.283 9.788 957 HD22 LEU 121 HD22 LEU 121 16.737 4.940 10.386 958 HD23 LEU 121 HD23 LEU 121 17.037 3.593 11.482 959 H THR 122 H THR 122 21.954 7.359 10.185 960 HA THR 122 HA THR 122 22.785 8.084 12.876 961 HB THR 122 HB THR 122 23.256 9.607 10.301 962 HG1 THR 122 HG1 THR 122 24.728 8.167 9.838 963 HG21 THR 122 HG21 THR 122 23.641 10.939 12.289 964 HG22 THR 122 HG22 THR 122 25.192 10.518 11.559 965 HG23 THR 122 HG23 THR 122 24.628 9.658 12.993 966 H LEU 123 H LEU 123 21.009 8.787 13.984 967 HA LEU 123 HA LEU 123 19.102 10.558 12.759 968 HB2 LEU 123 HB2 LEU 123 19.422 9.607 15.603 969 HB3 LEU 123 HB3 LEU 123 18.107 10.631 15.051 970 HG LEU 123 HG LEU 123 18.677 7.817 14.106 971 HD11 LEU 123 HD11 LEU 123 16.449 8.931 15.803 972 HD12 LEU 123 HD12 LEU 123 17.740 7.858 16.346 973 HD13 LEU 123 HD13 LEU 123 16.545 7.284 15.181 974 HD21 LEU 123 HD21 LEU 123 17.774 9.159 12.308 975 HD22 LEU 123 HD22 LEU 123 16.479 9.736 13.359 976 HD23 LEU 123 HD23 LEU 123 16.552 8.035 12.903 977 H ILE 124 H ILE 124 19.662 12.542 12.344 978 HA ILE 124 HA ILE 124 21.469 13.994 14.121 979 HB ILE 124 HB ILE 124 20.304 14.852 11.460 980 HG12 ILE 124 HG12 ILE 124 23.045 13.721 12.074 981 HG13 ILE 124 HG13 ILE 124 21.743 12.827 11.297 982 HG21 ILE 124 HG21 ILE 124 22.066 16.539 11.479 983 HG22 ILE 124 HG22 ILE 124 22.607 15.970 13.059 984 HG23 ILE 124 HG23 ILE 124 21.014 16.712 12.885 985 HD11 ILE 124 HD11 ILE 124 23.327 13.601 9.656 986 HD12 ILE 124 HD12 ILE 124 23.140 15.262 10.214 987 HD13 ILE 124 HD13 ILE 124 21.789 14.435 9.437 988 H THR 125 H THR 125 20.405 14.808 15.830 989 HA THR 125 HA THR 125 17.680 15.808 15.470 990 HB THR 125 HB THR 125 19.087 15.457 18.114 991 HG1 THR 125 HG1 THR 125 19.182 13.403 17.590 992 HG21 THR 125 HG21 THR 125 16.763 15.008 18.881 993 HG22 THR 125 HG22 THR 125 16.192 15.370 17.252 994 HG23 THR 125 HG23 THR 125 16.968 16.629 18.213 995 H CYS 126 H CYS 126 17.278 17.920 15.402 996 HA CYS 126 HA CYS 126 19.261 19.843 16.281 997 HB2 CYS 126 HB2 CYS 126 16.634 20.041 14.854 998 HB3 CYS 126 HB3 CYS 126 17.283 21.467 15.662 999 H ASP 127 H ASP 127 19.423 19.714 18.449 1000 HA ASP 127 HA ASP 127 17.049 19.818 20.133 1001 HB2 ASP 127 HB2 ASP 127 19.989 19.802 20.847 1002 HB3 ASP 127 HB3 ASP 127 18.669 19.728 22.001 1003 H ASP 128 H ASP 128 16.826 21.450 21.786 1004 HA ASP 128 HA ASP 128 16.827 23.562 22.646 1005 HB2 ASP 128 HB2 ASP 128 19.726 23.266 21.842 1006 HB3 ASP 128 HB3 ASP 128 19.123 24.630 22.777 1007 H TYR 129 H TYR 129 15.723 23.580 20.200 1008 HA TYR 129 HA TYR 129 17.060 25.463 18.479 1009 HB2 TYR 129 HB2 TYR 129 15.364 25.045 16.897 1010 HB3 TYR 129 HB3 TYR 129 15.614 23.498 17.696 1011 HD1 TYR 129 HD1 TYR 129 13.930 22.676 19.347 1012 HD2 TYR 129 HD2 TYR 129 13.275 26.187 17.031 1013 HE1 TYR 129 HE1 TYR 129 11.532 22.579 19.887 1014 HE2 TYR 129 HE2 TYR 129 10.876 26.100 17.556 1015 HH TYR 129 HH TYR 129 9.206 24.736 18.374 1016 H ASN 130 H ASN 130 16.545 27.559 18.142 1017 HA ASN 130 HA ASN 130 14.301 28.666 19.703 1018 HB2 ASN 130 HB2 ASN 130 16.479 29.699 20.255 1019 HB3 ASN 130 HB3 ASN 130 16.700 30.126 18.560 1020 HD21 ASN 130 HD21 ASN 130 16.771 32.318 18.945 1021 HD22 ASN 130 HD22 ASN 130 15.389 33.235 19.439 1022 H GLU 131 H GLU 131 12.555 28.785 18.456 1023 HA GLU 131 HA GLU 131 12.608 28.458 15.679 1024 HB2 GLU 131 HB2 GLU 131 10.219 28.969 15.732 1025 HB3 GLU 131 HB3 GLU 131 10.671 27.868 17.026 1026 HG2 GLU 131 HG2 GLU 131 10.482 29.544 18.659 1027 HG3 GLU 131 HG3 GLU 131 10.427 30.826 17.449 1028 H LYS 132 H LYS 132 12.845 31.341 17.589 1029 HA LYS 132 HA LYS 132 11.805 33.139 15.647 1030 HB2 LYS 132 HB2 LYS 132 12.192 33.391 18.247 1031 HB3 LYS 132 HB3 LYS 132 13.741 34.038 17.736 1032 HG2 LYS 132 HG2 LYS 132 11.077 35.078 16.801 1033 HG3 LYS 132 HG3 LYS 132 12.003 35.761 18.136 1034 HD2 LYS 132 HD2 LYS 132 13.804 36.349 16.656 1035 HD3 LYS 132 HD3 LYS 132 13.031 35.500 15.315 1036 HE2 LYS 132 HE2 LYS 132 11.146 37.079 15.435 1037 HE3 LYS 132 HE3 LYS 132 11.972 37.942 16.734 1038 HZ1 LYS 132 HZ1 LYS 132 13.069 37.557 14.001 1039 HZ2 LYS 132 HZ2 LYS 132 13.751 38.488 15.245 1040 HZ3 LYS 132 HZ3 LYS 132 12.287 38.965 14.537 1041 H THR 133 H THR 133 15.158 32.487 16.710 1042 HA THR 133 HA THR 133 16.113 34.044 14.434 1043 HB THR 133 HB THR 133 18.339 33.864 15.548 1044 HG1 THR 133 HG1 THR 133 18.547 32.815 17.426 1045 HG21 THR 133 HG21 THR 133 16.918 35.806 15.921 1046 HG22 THR 133 HG22 THR 133 17.788 35.392 17.399 1047 HG23 THR 133 HG23 THR 133 16.084 34.967 17.228 1048 H GLY 134 H GLY 134 15.838 30.776 15.478 1049 HA2 GLY 134 HA2 GLY 134 16.136 28.905 14.101 1050 HA3 GLY 134 HA3 GLY 134 17.082 29.893 13.000 1051 H VAL 135 H VAL 135 17.673 29.723 16.454 1052 HA VAL 135 HA VAL 135 20.351 28.722 15.913 1053 HB VAL 135 HB VAL 135 19.110 29.569 18.533 1054 HG11 VAL 135 HG11 VAL 135 20.918 27.982 18.886 1055 HG12 VAL 135 HG12 VAL 135 21.403 29.599 19.393 1056 HG13 VAL 135 HG13 VAL 135 21.980 28.947 17.862 1057 HG21 VAL 135 HG21 VAL 135 20.503 31.570 18.311 1058 HG22 VAL 135 HG22 VAL 135 19.332 31.441 16.999 1059 HG23 VAL 135 HG23 VAL 135 21.023 31.025 16.718 1060 H TRP 136 H TRP 136 21.094 26.785 16.442 1061 HA TRP 136 HA TRP 136 19.515 25.046 18.182 1062 HB2 TRP 136 HB2 TRP 136 20.490 23.134 16.651 1063 HB3 TRP 136 HB3 TRP 136 19.011 23.968 16.194 1064 HD1 TRP 136 HD1 TRP 136 22.803 24.099 15.364 1065 HE1 TRP 136 HE1 TRP 136 23.048 24.870 12.920 1066 HE3 TRP 136 HE3 TRP 136 17.881 24.972 14.290 1067 HZ2 TRP 136 HZ2 TRP 136 21.376 25.718 10.810 1068 HZ3 TRP 136 HZ3 TRP 136 17.288 25.754 12.035 1069 HH2 TRP 136 HH2 TRP 136 18.999 26.120 10.333 1070 H GLU 137 H GLU 137 20.716 24.619 19.913 1071 HA GLU 137 HA GLU 137 23.582 25.097 19.739 1072 HB2 GLU 137 HB2 GLU 137 21.822 24.630 22.144 1073 HB3 GLU 137 HB3 GLU 137 23.526 25.053 22.200 1074 HG2 GLU 137 HG2 GLU 137 22.945 27.173 20.987 1075 HG3 GLU 137 HG3 GLU 137 21.246 26.753 21.210 1076 H LYS 138 H LYS 138 21.618 22.656 21.457 1077 HA LYS 138 HA LYS 138 23.849 20.826 21.398 1078 HB2 LYS 138 HB2 LYS 138 22.280 21.032 23.351 1079 HB3 LYS 138 HB3 LYS 138 21.019 20.326 22.352 1080 HG2 LYS 138 HG2 LYS 138 22.087 18.238 22.281 1081 HG3 LYS 138 HG3 LYS 138 23.615 18.906 22.854 1082 HD2 LYS 138 HD2 LYS 138 22.870 17.943 24.785 1083 HD3 LYS 138 HD3 LYS 138 22.154 19.540 24.959 1084 HE2 LYS 138 HE2 LYS 138 20.763 17.065 23.939 1085 HE3 LYS 138 HE3 LYS 138 20.563 17.787 25.532 1086 HZ1 LYS 138 HZ1 LYS 138 18.750 18.514 24.282 1087 HZ2 LYS 138 HZ2 LYS 138 19.685 18.839 22.918 1088 HZ3 LYS 138 HZ3 LYS 138 19.801 19.845 24.273 1089 H ARG 139 H ARG 139 24.091 19.087 20.087 1090 HA ARG 139 HA ARG 139 21.892 18.498 18.214 1091 HB2 ARG 139 HB2 ARG 139 24.852 18.391 17.593 1092 HB3 ARG 139 HB3 ARG 139 23.547 18.003 16.482 1093 HG2 ARG 139 HG2 ARG 139 24.140 20.708 17.661 1094 HG3 ARG 139 HG3 ARG 139 24.455 20.190 16.005 1095 HD2 ARG 139 HD2 ARG 139 21.775 20.536 17.339 1096 HD3 ARG 139 HD3 ARG 139 22.448 21.497 16.023 1097 HE ARG 139 HE ARG 139 21.534 18.706 15.810 1098 HH11 ARG 139 HH11 ARG 139 22.288 21.794 14.326 1099 HH12 ARG 139 HH12 ARG 139 21.665 21.323 12.773 1100 HH21 ARG 139 HH21 ARG 139 20.727 18.136 13.730 1101 HH22 ARG 139 HH22 ARG 139 20.776 19.318 12.444 1102 H LYS 140 H LYS 140 21.170 16.792 19.536 1103 HA LYS 140 HA LYS 140 23.022 14.793 20.463 1104 HB2 LYS 140 HB2 LYS 140 20.387 15.574 21.074 1105 HB3 LYS 140 HB3 LYS 140 20.262 13.928 20.473 1106 HG2 LYS 140 HG2 LYS 140 21.947 14.884 22.778 1107 HG3 LYS 140 HG3 LYS 140 20.480 13.908 22.864 1108 HD2 LYS 140 HD2 LYS 140 21.747 12.219 21.407 1109 HD3 LYS 140 HD3 LYS 140 23.194 13.132 21.840 1110 HE2 LYS 140 HE2 LYS 140 21.273 11.882 23.802 1111 HE3 LYS 140 HE3 LYS 140 22.816 11.188 23.312 1112 HZ1 LYS 140 HZ1 LYS 140 22.456 13.777 24.733 1113 HZ2 LYS 140 HZ2 LYS 140 23.945 13.108 24.266 1114 HZ3 LYS 140 HZ3 LYS 140 22.990 12.324 25.427 1115 H ILE 141 H ILE 141 23.949 13.476 19.028 1116 HA ILE 141 HA ILE 141 22.426 12.608 16.717 1117 HB ILE 141 HB ILE 141 25.348 12.257 17.365 1118 HG12 ILE 141 HG12 ILE 141 24.771 14.605 16.994 1119 HG13 ILE 141 HG13 ILE 141 25.730 13.984 15.655 1120 HG21 ILE 141 HG21 ILE 141 24.532 10.505 15.926 1121 HG22 ILE 141 HG22 ILE 141 25.584 11.598 15.027 1122 HG23 ILE 141 HG23 ILE 141 23.835 11.699 14.834 1123 HD11 ILE 141 HD11 ILE 141 23.692 13.738 14.324 1124 HD12 ILE 141 HD12 ILE 141 23.940 15.399 14.857 1125 HD13 ILE 141 HD13 ILE 141 22.748 14.383 15.666 1126 H PHE 142 H PHE 142 21.684 10.628 16.505 1127 HA PHE 142 HA PHE 142 22.561 8.581 18.436 1128 HB2 PHE 142 HB2 PHE 142 19.810 8.853 17.197 1129 HB3 PHE 142 HB3 PHE 142 20.312 7.625 18.352 1130 HD1 PHE 142 HD1 PHE 142 20.890 8.312 20.687 1131 HD2 PHE 142 HD2 PHE 142 19.051 10.959 17.910 1132 HE1 PHE 142 HE1 PHE 142 20.171 9.758 22.542 1133 HE2 PHE 142 HE2 PHE 142 18.331 12.410 19.760 1134 HZ PHE 142 HZ PHE 142 18.889 11.809 22.081 1135 H VAL 143 H VAL 143 23.977 7.422 17.221 1136 HA VAL 143 HA VAL 143 23.230 6.711 14.488 1137 HB VAL 143 HB VAL 143 25.775 6.119 16.000 1138 HG11 VAL 143 HG11 VAL 143 25.104 5.793 13.080 1139 HG12 VAL 143 HG12 VAL 143 25.377 4.494 14.241 1140 HG13 VAL 143 HG13 VAL 143 26.704 5.565 13.791 1141 HG21 VAL 143 HG21 VAL 143 25.497 8.499 15.637 1142 HG22 VAL 143 HG22 VAL 143 25.183 8.216 13.927 1143 HG23 VAL 143 HG23 VAL 143 26.773 7.864 14.602 1144 H ALA 144 H ALA 144 21.787 5.129 14.476 1145 HA ALA 144 HA ALA 144 21.954 2.940 16.393 1146 HB1 ALA 144 HB1 ALA 144 19.785 2.272 15.498 1147 HB2 ALA 144 HB2 ALA 144 19.900 3.522 14.257 1148 HB3 ALA 144 HB3 ALA 144 19.782 3.974 15.956 1149 H THR 145 H THR 145 23.299 1.371 15.917 1150 HA THR 145 HA THR 145 23.921 0.637 13.193 1151 HB THR 145 HB THR 145 24.798 -0.747 15.734 1152 HG1 THR 145 HG1 THR 145 25.407 1.723 14.825 1153 HG21 THR 145 HG21 THR 145 26.042 -0.621 12.982 1154 HG22 THR 145 HG22 THR 145 25.178 -2.003 13.657 1155 HG23 THR 145 HG23 THR 145 26.697 -1.475 14.379 1156 H GLU 146 H GLU 146 23.369 -1.269 12.190 1157 HA GLU 146 HA GLU 146 20.881 -2.416 12.796 1158 HB2 GLU 146 HB2 GLU 146 21.979 -2.311 10.539 1159 HB3 GLU 146 HB3 GLU 146 23.052 -3.602 11.061 1160 HG2 GLU 146 HG2 GLU 146 21.145 -5.083 11.354 1161 HG3 GLU 146 HG3 GLU 146 20.056 -3.788 10.856 1162 H VAL 147 H VAL 147 20.305 -4.058 14.088 1163 HA VAL 147 HA VAL 147 22.434 -5.560 15.421 1164 HB VAL 147 HB VAL 147 19.554 -6.008 16.046 1165 HG11 VAL 147 HG11 VAL 147 22.042 -5.967 17.741 1166 HG12 VAL 147 HG12 VAL 147 21.230 -7.402 17.115 1167 HG13 VAL 147 HG13 VAL 147 20.422 -6.378 18.303 1168 HG21 VAL 147 HG21 VAL 147 19.577 -4.166 17.663 1169 HG22 VAL 147 HG22 VAL 147 19.719 -3.590 16.003 1170 HG23 VAL 147 HG23 VAL 147 21.144 -3.655 17.040 1171 H LYS 148 H LYS 148 22.215 -7.846 15.613 1172 HA LYS 148 HA LYS 148 20.959 -9.055 13.257 1173 HB2 LYS 148 HB2 LYS 148 23.047 -10.516 13.161 1174 HB3 LYS 148 HB3 LYS 148 23.235 -8.838 12.661 1175 HG2 LYS 148 HG2 LYS 148 23.937 -8.448 15.119 1176 HG3 LYS 148 HG3 LYS 148 24.200 -10.192 15.139 1177 HD2 LYS 148 HD2 LYS 148 25.647 -9.901 13.119 1178 HD3 LYS 148 HD3 LYS 148 25.493 -8.157 13.347 1179 HE2 LYS 148 HE2 LYS 148 27.553 -8.958 14.353 1180 HE3 LYS 148 HE3 LYS 148 26.444 -8.374 15.595 1181 HZ1 LYS 148 HZ1 LYS 148 25.772 -10.704 15.972 1182 HZ2 LYS 148 HZ2 LYS 148 27.411 -10.436 16.303 1183 HZ3 LYS 148 HZ3 LYS 148 26.954 -11.209 14.867 1184 H6 2W7 201 H6 2W7 201 15.572 21.410 11.277 1185 H7 2W7 201 H7 2W7 201 15.439 23.095 9.464 1186 H8 2W7 201 H8 2W7 201 17.441 23.617 8.104 1187 H9 2W7 201 H9 2W7 201 19.580 22.450 8.544 1188 H3 2W7 201 H3 2W7 201 20.334 19.835 8.504 1189 H122 2W7 201 H122 2W7 201 22.416 20.576 8.039 1190 H121 2W7 201 H121 2W7 201 22.119 21.929 9.142 1191 H4 2W7 201 H4 2W7 201 24.533 20.206 8.629 1192 HZ12 2W7 201 HZ12 2W7 201 24.653 20.697 12.197 1193 HZ11 2W7 201 HZ11 2W7 201 25.808 21.600 11.197 1194 HY1 2W7 201 HY1 2W7 201 26.824 20.899 13.336 1195 HX22 2W7 201 HX22 2W7 201 27.176 18.514 13.791 1196 HX21 2W7 201 HX21 2W7 201 25.441 18.903 13.702 1197 HY3 2W7 201 HY3 2W7 201 25.956 16.829 12.422 1198 HZ21 2W7 201 HZ21 2W7 201 24.140 18.312 11.651 1199 HZ22 2W7 201 HZ22 2W7 201 24.945 17.519 10.284 1200 HX31 2W7 201 HX31 2W7 201 28.291 17.385 11.867 1201 HX32 2W7 201 HX32 2W7 201 27.369 16.977 10.406 1202 HY2 2W7 201 HY2 2W7 201 28.745 18.998 10.044 1203 HZ32 2W7 201 HZ32 2W7 201 26.569 18.794 8.888 1204 HZ31 2W7 201 HZ31 2W7 201 26.940 20.483 9.274 1205 HX12 2W7 201 HX12 2W7 201 28.805 19.751 12.387 1206 HX11 2W7 201 HX11 2W7 201 28.237 21.048 11.317 Start of MODEL 18 1 HA MET 1 HA MET 1 1.345 -4.039 -1.859 2 HB2 MET 1 HB2 MET 1 0.427 -6.250 -2.392 3 HB3 MET 1 HB3 MET 1 0.635 -5.934 -4.109 4 HG2 MET 1 HG2 MET 1 3.046 -5.857 -3.827 5 HG3 MET 1 HG3 MET 1 2.864 -6.103 -2.093 6 HE1 MET 1 HE1 MET 1 1.716 -9.278 -5.238 7 HE2 MET 1 HE2 MET 1 2.367 -7.694 -5.653 8 HE3 MET 1 HE3 MET 1 0.762 -7.825 -4.939 9 H GLN 2 H GLN 2 2.580 -2.345 -2.389 10 HA GLN 2 HA GLN 2 3.008 -1.661 -5.179 11 HB2 GLN 2 HB2 GLN 2 4.236 0.267 -4.327 12 HB3 GLN 2 HB3 GLN 2 2.656 0.145 -3.564 13 HG2 GLN 2 HG2 GLN 2 3.722 -0.884 -1.596 14 HG3 GLN 2 HG3 GLN 2 5.296 -0.656 -2.359 15 HE21 GLN 2 HE21 GLN 2 6.037 0.701 -0.753 16 HE22 GLN 2 HE22 GLN 2 5.447 2.312 -0.546 17 H ALA 3 H ALA 3 5.425 -0.876 -5.527 18 HA ALA 3 HA ALA 3 6.998 -3.271 -5.558 19 HB1 ALA 3 HB1 ALA 3 7.636 -0.459 -6.426 20 HB2 ALA 3 HB2 ALA 3 7.021 -1.760 -7.446 21 HB3 ALA 3 HB3 ALA 3 8.637 -1.874 -6.748 22 H LYS 4 H LYS 4 9.493 -2.676 -5.193 23 HA LYS 4 HA LYS 4 9.892 -2.660 -2.425 24 HB2 LYS 4 HB2 LYS 4 11.650 -3.724 -3.333 25 HB3 LYS 4 HB3 LYS 4 11.474 -2.892 -4.868 26 HG2 LYS 4 HG2 LYS 4 12.706 -1.003 -4.008 27 HG3 LYS 4 HG3 LYS 4 12.852 -1.789 -2.433 28 HD2 LYS 4 HD2 LYS 4 14.095 -3.626 -3.466 29 HD3 LYS 4 HD3 LYS 4 13.940 -2.850 -5.043 30 HE2 LYS 4 HE2 LYS 4 15.229 -0.942 -4.231 31 HE3 LYS 4 HE3 LYS 4 15.369 -1.706 -2.647 32 HZ1 LYS 4 HZ1 LYS 4 16.427 -2.825 -5.188 33 HZ2 LYS 4 HZ2 LYS 4 16.592 -3.515 -3.648 34 HZ3 LYS 4 HZ3 LYS 4 17.352 -2.040 -4.005 35 HA PRO 5 HA PRO 5 9.528 1.607 -1.541 36 HB2 PRO 5 HB2 PRO 5 10.929 1.660 0.810 37 HB3 PRO 5 HB3 PRO 5 9.273 1.065 0.661 38 HG2 PRO 5 HG2 PRO 5 11.839 -0.469 0.744 39 HG3 PRO 5 HG3 PRO 5 10.293 -0.830 1.533 40 HD2 PRO 5 HD2 PRO 5 11.070 -2.086 -0.718 41 HD3 PRO 5 HD3 PRO 5 9.366 -1.700 -0.403 42 H GLN 6 H GLN 6 10.551 3.253 -2.378 43 HA GLN 6 HA GLN 6 13.450 3.498 -2.041 44 HB2 GLN 6 HB2 GLN 6 12.368 2.786 -4.447 45 HB3 GLN 6 HB3 GLN 6 12.382 4.540 -4.588 46 HG2 GLN 6 HG2 GLN 6 14.404 3.598 -5.518 47 HG3 GLN 6 HG3 GLN 6 14.775 4.562 -4.090 48 HE21 GLN 6 HE21 GLN 6 15.435 3.514 -2.201 49 HE22 GLN 6 HE22 GLN 6 15.986 1.879 -2.199 50 H ILE 7 H ILE 7 13.814 5.965 -3.236 51 HA ILE 7 HA ILE 7 12.110 7.634 -1.502 52 HB ILE 7 HB ILE 7 14.950 8.167 -2.400 53 HG12 ILE 7 HG12 ILE 7 13.852 7.393 0.316 54 HG13 ILE 7 HG13 ILE 7 14.778 6.339 -0.749 55 HG21 ILE 7 HG21 ILE 7 13.644 10.215 -2.115 56 HG22 ILE 7 HG22 ILE 7 14.874 10.061 -0.860 57 HG23 ILE 7 HG23 ILE 7 13.188 9.702 -0.490 58 HD11 ILE 7 HD11 ILE 7 15.780 8.870 0.535 59 HD12 ILE 7 HD12 ILE 7 16.710 7.807 -0.522 60 HD13 ILE 7 HD13 ILE 7 16.149 7.223 1.044 61 HA PRO 8 HA PRO 8 11.055 9.411 -5.541 62 HB2 PRO 8 HB2 PRO 8 8.559 10.138 -4.918 63 HB3 PRO 8 HB3 PRO 8 8.968 8.446 -5.224 64 HG2 PRO 8 HG2 PRO 8 8.546 9.853 -2.623 65 HG3 PRO 8 HG3 PRO 8 8.049 8.223 -3.111 66 HD2 PRO 8 HD2 PRO 8 10.293 8.820 -1.590 67 HD3 PRO 8 HD3 PRO 8 10.049 7.319 -2.502 68 H LYS 9 H LYS 9 9.622 11.628 -5.823 69 HA LYS 9 HA LYS 9 11.328 13.666 -4.698 70 HB2 LYS 9 HB2 LYS 9 8.972 14.001 -6.534 71 HB3 LYS 9 HB3 LYS 9 10.262 15.146 -6.252 72 HG2 LYS 9 HG2 LYS 9 11.842 13.751 -7.383 73 HG3 LYS 9 HG3 LYS 9 10.649 12.457 -7.531 74 HD2 LYS 9 HD2 LYS 9 10.489 15.189 -8.804 75 HD3 LYS 9 HD3 LYS 9 10.854 13.671 -9.629 76 HE2 LYS 9 HE2 LYS 9 8.649 12.815 -9.095 77 HE3 LYS 9 HE3 LYS 9 8.285 14.263 -8.160 78 HZ1 LYS 9 HZ1 LYS 9 7.263 14.440 -10.292 79 HZ2 LYS 9 HZ2 LYS 9 8.717 14.102 -11.094 80 HZ3 LYS 9 HZ3 LYS 9 8.540 15.552 -10.233 81 H ASP 10 H ASP 10 8.428 12.232 -3.827 82 HA ASP 10 HA ASP 10 7.200 14.690 -2.854 83 HB2 ASP 10 HB2 ASP 10 6.133 11.870 -3.035 84 HB3 ASP 10 HB3 ASP 10 5.232 13.230 -2.376 85 H LYS 11 H LYS 11 8.026 15.299 -0.968 86 HA LYS 11 HA LYS 11 8.513 13.403 1.149 87 HB2 LYS 11 HB2 LYS 11 8.881 15.535 2.521 88 HB3 LYS 11 HB3 LYS 11 10.017 15.190 1.229 89 HG2 LYS 11 HG2 LYS 11 7.692 16.969 0.672 90 HG3 LYS 11 HG3 LYS 11 9.069 17.598 1.581 91 HD2 LYS 11 HD2 LYS 11 10.552 16.806 -0.273 92 HD3 LYS 11 HD3 LYS 11 9.099 16.402 -1.189 93 HE2 LYS 11 HE2 LYS 11 9.830 19.145 -0.167 94 HE3 LYS 11 HE3 LYS 11 10.020 18.586 -1.827 95 HZ1 LYS 11 HZ1 LYS 11 7.485 18.990 -0.340 96 HZ2 LYS 11 HZ2 LYS 11 7.569 18.194 -1.838 97 HZ3 LYS 11 HZ3 LYS 11 8.023 19.826 -1.714 98 H SER 12 H SER 12 5.800 14.226 -0.145 99 HA SER 12 HA SER 12 4.299 14.535 2.341 100 HB2 SER 12 HB2 SER 12 2.332 14.613 0.688 101 HB3 SER 12 HB3 SER 12 3.462 15.966 0.642 102 HG SER 12 HG SER 12 3.159 15.335 -1.450 103 H LYS 13 H LYS 13 5.595 12.164 0.404 104 HA LYS 13 HA LYS 13 3.514 10.179 0.865 105 HB2 LYS 13 HB2 LYS 13 6.174 10.080 -0.558 106 HB3 LYS 13 HB3 LYS 13 5.150 8.670 -0.336 107 HG2 LYS 13 HG2 LYS 13 4.254 11.169 -1.741 108 HG3 LYS 13 HG3 LYS 13 4.978 9.786 -2.562 109 HD2 LYS 13 HD2 LYS 13 3.160 8.370 -1.551 110 HD3 LYS 13 HD3 LYS 13 2.395 9.866 -1.009 111 HE2 LYS 13 HE2 LYS 13 1.404 9.129 -3.097 112 HE3 LYS 13 HE3 LYS 13 2.285 10.637 -3.337 113 HZ1 LYS 13 HZ1 LYS 13 3.295 7.923 -4.008 114 HZ2 LYS 13 HZ2 LYS 13 4.129 9.378 -4.256 115 HZ3 LYS 13 HZ3 LYS 13 2.709 9.061 -5.122 116 H VAL 14 H VAL 14 4.576 7.927 1.478 117 HA VAL 14 HA VAL 14 6.279 8.345 3.838 118 HB VAL 14 HB VAL 14 4.192 6.185 3.478 119 HG11 VAL 14 HG11 VAL 14 6.067 5.512 4.876 120 HG12 VAL 14 HG12 VAL 14 4.608 5.723 5.845 121 HG13 VAL 14 HG13 VAL 14 5.863 6.961 5.862 122 HG21 VAL 14 HG21 VAL 14 2.932 7.392 5.228 123 HG22 VAL 14 HG22 VAL 14 3.099 8.330 3.743 124 HG23 VAL 14 HG23 VAL 14 4.110 8.703 5.139 125 H ALA 15 H ALA 15 8.261 7.671 3.298 126 HA ALA 15 HA ALA 15 8.609 5.495 1.393 127 HB1 ALA 15 HB1 ALA 15 10.021 7.491 1.207 128 HB2 ALA 15 HB2 ALA 15 10.976 6.036 1.483 129 HB3 ALA 15 HB3 ALA 15 10.685 7.164 2.808 130 H GLY 16 H GLY 16 8.833 6.116 4.786 131 HA2 GLY 16 HA2 GLY 16 9.083 3.303 5.353 132 HA3 GLY 16 HA3 GLY 16 10.499 4.243 5.805 133 H TYR 17 H TYR 17 9.359 3.047 7.837 134 HA TYR 17 HA TYR 17 7.880 5.199 9.208 135 HB2 TYR 17 HB2 TYR 17 6.964 2.574 8.661 136 HB3 TYR 17 HB3 TYR 17 7.320 2.628 10.383 137 HD1 TYR 17 HD1 TYR 17 6.043 4.088 11.870 138 HD2 TYR 17 HD2 TYR 17 5.203 3.910 7.709 139 HE1 TYR 17 HE1 TYR 17 3.894 5.221 12.261 140 HE2 TYR 17 HE2 TYR 17 3.058 5.042 8.086 141 HH TYR 17 HH TYR 17 1.420 5.263 10.069 142 H ILE 18 H ILE 18 8.926 5.937 10.959 143 HA ILE 18 HA ILE 18 11.127 4.308 12.008 144 HB ILE 18 HB ILE 18 11.773 6.551 11.313 145 HG12 ILE 18 HG12 ILE 18 12.764 7.353 13.458 146 HG13 ILE 18 HG13 ILE 18 11.781 6.162 14.305 147 HG21 ILE 18 HG21 ILE 18 10.945 8.546 12.490 148 HG22 ILE 18 HG22 ILE 18 9.764 7.539 13.330 149 HG23 ILE 18 HG23 ILE 18 9.683 7.722 11.577 150 HD11 ILE 18 HD11 ILE 18 12.897 4.378 13.077 151 HD12 ILE 18 HD12 ILE 18 14.042 5.365 13.987 152 HD13 ILE 18 HD13 ILE 18 13.889 5.575 12.245 153 H GLU 19 H GLU 19 10.933 3.316 13.883 154 HA GLU 19 HA GLU 19 8.873 4.209 15.778 155 HB2 GLU 19 HB2 GLU 19 9.320 1.349 14.910 156 HB3 GLU 19 HB3 GLU 19 8.145 1.902 16.096 157 HG2 GLU 19 HG2 GLU 19 6.952 3.121 14.369 158 HG3 GLU 19 HG3 GLU 19 8.154 2.626 13.179 159 H ILE 20 H ILE 20 9.630 4.375 17.759 160 HA ILE 20 HA ILE 20 11.766 2.547 18.618 161 HB ILE 20 HB ILE 20 11.506 5.455 19.415 162 HG12 ILE 20 HG12 ILE 20 13.656 4.096 17.772 163 HG13 ILE 20 HG13 ILE 20 12.355 5.072 17.097 164 HG21 ILE 20 HG21 ILE 20 13.564 3.381 20.173 165 HG22 ILE 20 HG22 ILE 20 12.334 4.066 21.235 166 HG23 ILE 20 HG23 ILE 20 13.623 5.091 20.603 167 HD11 ILE 20 HD11 ILE 20 13.184 7.019 18.262 168 HD12 ILE 20 HD12 ILE 20 14.453 6.300 17.271 169 HD13 ILE 20 HD13 ILE 20 14.450 6.052 19.016 170 HA PRO 21 HA PRO 21 8.081 1.712 21.156 171 HB2 PRO 21 HB2 PRO 21 9.200 -0.548 22.283 172 HB3 PRO 21 HB3 PRO 21 8.296 -0.521 20.767 173 HG2 PRO 21 HG2 PRO 21 11.247 -0.497 21.218 174 HG3 PRO 21 HG3 PRO 21 10.302 -1.369 19.997 175 HD2 PRO 21 HD2 PRO 21 11.652 0.862 19.385 176 HD3 PRO 21 HD3 PRO 21 10.074 0.507 18.652 177 H ASP 22 H ASP 22 11.417 1.968 22.144 178 HA ASP 22 HA ASP 22 11.065 1.996 24.941 179 HB2 ASP 22 HB2 ASP 22 13.164 3.293 23.193 180 HB3 ASP 22 HB3 ASP 22 13.250 3.242 24.949 181 H ALA 23 H ALA 23 10.451 4.340 22.490 182 HA ALA 23 HA ALA 23 9.786 6.337 24.553 183 HB1 ALA 23 HB1 ALA 23 11.718 7.041 23.240 184 HB2 ALA 23 HB2 ALA 23 10.327 8.084 22.942 185 HB3 ALA 23 HB3 ALA 23 10.780 6.859 21.757 186 H ASP 24 H ASP 24 8.423 4.154 22.733 187 HA ASP 24 HA ASP 24 6.448 3.796 21.698 188 HB2 ASP 24 HB2 ASP 24 5.702 6.222 23.326 189 HB3 ASP 24 HB3 ASP 24 4.536 5.326 22.354 190 H ILE 25 H ILE 25 8.474 5.502 20.417 191 HA ILE 25 HA ILE 25 7.050 7.476 18.893 192 HB ILE 25 HB ILE 25 9.831 6.334 18.612 193 HG12 ILE 25 HG12 ILE 25 8.807 8.994 19.623 194 HG13 ILE 25 HG13 ILE 25 9.473 7.696 20.612 195 HG21 ILE 25 HG21 ILE 25 9.077 7.034 16.419 196 HG22 ILE 25 HG22 ILE 25 10.270 8.177 17.037 197 HG23 ILE 25 HG23 ILE 25 8.556 8.591 17.068 198 HD11 ILE 25 HD11 ILE 25 11.638 7.991 19.586 199 HD12 ILE 25 HD12 ILE 25 11.061 9.523 20.239 200 HD13 ILE 25 HD13 ILE 25 10.986 9.219 18.503 201 H LYS 26 H LYS 26 6.095 7.236 16.976 202 HA LYS 26 HA LYS 26 6.659 5.015 15.234 203 HB2 LYS 26 HB2 LYS 26 5.132 4.041 16.962 204 HB3 LYS 26 HB3 LYS 26 3.918 5.223 16.500 205 HG2 LYS 26 HG2 LYS 26 3.928 4.268 14.214 206 HG3 LYS 26 HG3 LYS 26 5.043 3.023 14.782 207 HD2 LYS 26 HD2 LYS 26 2.243 3.525 15.788 208 HD3 LYS 26 HD3 LYS 26 2.778 2.163 14.805 209 HE2 LYS 26 HE2 LYS 26 3.866 2.775 17.545 210 HE3 LYS 26 HE3 LYS 26 2.511 1.685 17.260 211 HZ1 LYS 26 HZ1 LYS 26 4.901 0.752 17.445 212 HZ2 LYS 26 HZ2 LYS 26 5.045 1.243 15.823 213 HZ3 LYS 26 HZ3 LYS 26 3.847 0.129 16.272 214 H GLU 27 H GLU 27 7.080 6.632 13.718 215 HA GLU 27 HA GLU 27 4.700 7.932 12.638 216 HB2 GLU 27 HB2 GLU 27 5.985 10.087 12.411 217 HB3 GLU 27 HB3 GLU 27 5.519 9.656 14.049 218 HG2 GLU 27 HG2 GLU 27 7.802 8.779 14.420 219 HG3 GLU 27 HG3 GLU 27 8.243 9.357 12.812 220 HA PRO 28 HA PRO 28 6.508 6.855 8.750 221 HB2 PRO 28 HB2 PRO 28 5.328 8.693 7.149 222 HB3 PRO 28 HB3 PRO 28 4.444 7.327 7.840 223 HG2 PRO 28 HG2 PRO 28 4.568 10.171 8.773 224 HG3 PRO 28 HG3 PRO 28 3.158 9.105 8.622 225 HD2 PRO 28 HD2 PRO 28 4.382 9.553 10.990 226 HD3 PRO 28 HD3 PRO 28 3.619 8.001 10.593 227 H VAL 29 H VAL 29 8.109 7.536 7.254 228 HA VAL 29 HA VAL 29 9.450 10.044 8.013 229 HB VAL 29 HB VAL 29 10.651 7.666 6.573 230 HG11 VAL 29 HG11 VAL 29 11.716 9.790 5.999 231 HG12 VAL 29 HG12 VAL 29 12.788 8.787 6.976 232 HG13 VAL 29 HG13 VAL 29 11.939 10.145 7.712 233 HG21 VAL 29 HG21 VAL 29 10.938 8.552 9.437 234 HG22 VAL 29 HG22 VAL 29 11.866 7.262 8.669 235 HG23 VAL 29 HG23 VAL 29 10.122 7.096 8.869 236 H TYR 30 H TYR 30 9.731 11.579 6.536 237 HA TYR 30 HA TYR 30 8.246 11.224 4.058 238 HB2 TYR 30 HB2 TYR 30 9.339 13.719 5.367 239 HB3 TYR 30 HB3 TYR 30 8.339 13.685 3.918 240 HD1 TYR 30 HD1 TYR 30 6.232 11.851 4.476 241 HD2 TYR 30 HD2 TYR 30 8.115 14.587 7.132 242 HE1 TYR 30 HE1 TYR 30 4.203 11.886 5.859 243 HE2 TYR 30 HE2 TYR 30 6.088 14.635 8.524 244 HH TYR 30 HH TYR 30 3.730 14.193 8.362 245 HA PRO 31 HA PRO 31 12.140 10.557 1.958 246 HB2 PRO 31 HB2 PRO 31 10.933 10.301 -0.503 247 HB3 PRO 31 HB3 PRO 31 11.131 8.985 0.658 248 HG2 PRO 31 HG2 PRO 31 8.738 10.681 0.105 249 HG3 PRO 31 HG3 PRO 31 8.828 8.947 0.461 250 HD2 PRO 31 HD2 PRO 31 8.081 10.756 2.315 251 HD3 PRO 31 HD3 PRO 31 8.993 9.293 2.743 252 H GLY 32 H GLY 32 13.375 12.284 1.631 253 HA2 GLY 32 HA2 GLY 32 13.362 13.913 -0.542 254 HA3 GLY 32 HA3 GLY 32 12.329 14.753 0.609 255 HA PRO 33 HA PRO 33 16.785 15.692 1.606 256 HB2 PRO 33 HB2 PRO 33 16.965 18.223 0.744 257 HB3 PRO 33 HB3 PRO 33 17.172 16.859 -0.361 258 HG2 PRO 33 HG2 PRO 33 14.814 18.642 0.032 259 HG3 PRO 33 HG3 PRO 33 15.460 17.951 -1.465 260 HD2 PRO 33 HD2 PRO 33 13.290 16.958 -0.042 261 HD3 PRO 33 HD3 PRO 33 14.239 16.044 -1.226 262 H ALA 34 H ALA 34 17.507 16.950 3.357 263 HA ALA 34 HA ALA 34 15.535 17.710 5.248 264 HB1 ALA 34 HB1 ALA 34 18.505 18.209 5.265 265 HB2 ALA 34 HB2 ALA 34 17.682 16.797 5.929 266 HB3 ALA 34 HB3 ALA 34 17.418 18.389 6.641 267 H THR 35 H THR 35 14.660 19.614 5.686 268 HA THR 35 HA THR 35 15.832 22.110 4.841 269 HB THR 35 HB THR 35 14.786 21.656 2.769 270 HG1 THR 35 HG1 THR 35 13.409 23.339 2.637 271 HG21 THR 35 HG21 THR 35 12.319 20.798 4.279 272 HG22 THR 35 HG22 THR 35 13.469 19.721 3.485 273 HG23 THR 35 HG23 THR 35 12.498 20.841 2.525 274 HA PRO 36 HA PRO 36 13.972 23.703 8.524 275 HB2 PRO 36 HB2 PRO 36 12.843 26.019 7.345 276 HB3 PRO 36 HB3 PRO 36 14.404 25.889 8.161 277 HG2 PRO 36 HG2 PRO 36 13.771 25.815 5.260 278 HG3 PRO 36 HG3 PRO 36 15.218 26.420 6.086 279 HD2 PRO 36 HD2 PRO 36 15.261 24.103 4.755 280 HD3 PRO 36 HD3 PRO 36 16.144 24.296 6.285 281 H GLU 37 H GLU 37 11.997 23.810 5.573 282 HA GLU 37 HA GLU 37 9.504 24.081 6.836 283 HB2 GLU 37 HB2 GLU 37 10.298 22.929 4.166 284 HB3 GLU 37 HB3 GLU 37 8.625 23.062 4.679 285 HG2 GLU 37 HG2 GLU 37 10.570 25.323 4.322 286 HG3 GLU 37 HG3 GLU 37 9.221 24.918 3.261 287 H GLN 38 H GLN 38 11.189 21.175 5.664 288 HA GLN 38 HA GLN 38 9.150 19.383 6.432 289 HB2 GLN 38 HB2 GLN 38 12.026 19.054 5.668 290 HB3 GLN 38 HB3 GLN 38 11.119 17.684 6.296 291 HG2 GLN 38 HG2 GLN 38 10.403 19.317 3.873 292 HG3 GLN 38 HG3 GLN 38 11.117 17.703 3.872 293 HE21 GLN 38 HE21 GLN 38 9.870 15.951 4.614 294 HE22 GLN 38 HE22 GLN 38 8.139 16.025 4.600 295 H LEU 39 H LEU 39 12.101 20.451 8.061 296 HA LEU 39 HA LEU 39 11.903 18.552 10.174 297 HB2 LEU 39 HB2 LEU 39 13.438 21.145 10.000 298 HB3 LEU 39 HB3 LEU 39 13.629 19.957 11.277 299 HG LEU 39 HG LEU 39 14.210 19.472 8.350 300 HD11 LEU 39 HD11 LEU 39 16.546 19.458 9.017 301 HD12 LEU 39 HD12 LEU 39 16.093 19.840 10.678 302 HD13 LEU 39 HD13 LEU 39 15.805 21.013 9.393 303 HD21 LEU 39 HD21 LEU 39 14.660 17.741 10.778 304 HD22 LEU 39 HD22 LEU 39 15.207 17.381 9.140 305 HD23 LEU 39 HD23 LEU 39 13.482 17.455 9.497 306 H ASN 40 H ASN 40 10.092 21.252 9.501 307 HA ASN 40 HA ASN 40 9.400 21.717 12.311 308 HB2 ASN 40 HB2 ASN 40 9.823 23.681 10.855 309 HB3 ASN 40 HB3 ASN 40 8.506 23.174 9.809 310 HD21 ASN 40 HD21 ASN 40 7.423 25.108 10.126 311 HD22 ASN 40 HD22 ASN 40 6.621 25.489 11.607 312 H ARG 41 H ARG 41 8.524 19.813 9.733 313 HA ARG 41 HA ARG 41 5.693 19.689 10.545 314 HB2 ARG 41 HB2 ARG 41 6.923 18.815 7.927 315 HB3 ARG 41 HB3 ARG 41 5.211 18.821 8.321 316 HG2 ARG 41 HG2 ARG 41 5.213 21.232 8.457 317 HG3 ARG 41 HG3 ARG 41 6.955 21.269 8.178 318 HD2 ARG 41 HD2 ARG 41 6.488 20.089 5.988 319 HD3 ARG 41 HD3 ARG 41 4.783 20.446 6.268 320 HE ARG 41 HE ARG 41 6.638 22.689 6.360 321 HH11 ARG 41 HH11 ARG 41 4.246 20.891 4.550 322 HH12 ARG 41 HH12 ARG 41 3.958 22.172 3.410 323 HH21 ARG 41 HH21 ARG 41 6.298 24.374 4.846 324 HH22 ARG 41 HH22 ARG 41 5.120 24.144 3.582 325 H GLY 42 H GLY 42 8.576 17.774 9.809 326 HA2 GLY 42 HA2 GLY 42 7.899 15.687 11.553 327 HA3 GLY 42 HA3 GLY 42 7.372 15.233 9.939 328 H VAL 43 H VAL 43 8.954 13.479 10.338 329 HA VAL 43 HA VAL 43 11.747 14.271 10.237 330 HB VAL 43 HB VAL 43 11.205 12.504 11.783 331 HG11 VAL 43 HG11 VAL 43 9.204 11.636 10.741 332 HG12 VAL 43 HG12 VAL 43 10.350 10.333 11.049 333 HG13 VAL 43 HG13 VAL 43 10.158 10.971 9.416 334 HG21 VAL 43 HG21 VAL 43 13.378 12.383 10.706 335 HG22 VAL 43 HG22 VAL 43 12.693 11.382 9.424 336 HG23 VAL 43 HG23 VAL 43 12.756 10.775 11.079 337 H SER 44 H SER 44 13.077 14.021 8.544 338 HA SER 44 HA SER 44 12.066 12.704 6.121 339 HB2 SER 44 HB2 SER 44 13.391 15.433 6.202 340 HB3 SER 44 HB3 SER 44 12.931 14.557 4.739 341 HG SER 44 HG SER 44 10.855 14.736 6.460 342 H PHE 45 H PHE 45 14.205 12.998 4.473 343 HA PHE 45 HA PHE 45 16.311 11.632 5.981 344 HB2 PHE 45 HB2 PHE 45 15.717 11.729 3.021 345 HB3 PHE 45 HB3 PHE 45 17.146 10.956 3.704 346 HD1 PHE 45 HD1 PHE 45 16.733 9.154 5.502 347 HD2 PHE 45 HD2 PHE 45 13.751 10.522 2.785 348 HE1 PHE 45 HE1 PHE 45 15.441 7.103 5.892 349 HE2 PHE 45 HE2 PHE 45 12.451 8.470 3.179 350 HZ PHE 45 HZ PHE 45 13.294 6.760 4.736 351 H ALA 46 H ALA 46 18.546 12.108 5.543 352 HA ALA 46 HA ALA 46 18.953 14.977 5.439 353 HB1 ALA 46 HB1 ALA 46 21.218 14.491 6.185 354 HB2 ALA 46 HB2 ALA 46 20.935 12.763 5.956 355 HB3 ALA 46 HB3 ALA 46 20.035 13.649 7.189 356 H GLU 47 H GLU 47 20.718 12.251 3.938 357 HA GLU 47 HA GLU 47 21.672 14.014 1.863 358 HB2 GLU 47 HB2 GLU 47 22.114 11.072 2.378 359 HB3 GLU 47 HB3 GLU 47 22.805 11.931 1.010 360 HG2 GLU 47 HG2 GLU 47 23.910 13.466 2.655 361 HG3 GLU 47 HG3 GLU 47 23.361 12.376 3.930 362 H GLU 48 H GLU 48 20.618 14.408 0.063 363 HA GLU 48 HA GLU 48 18.338 12.879 -0.763 364 HB2 GLU 48 HB2 GLU 48 18.287 14.456 -2.674 365 HB3 GLU 48 HB3 GLU 48 18.379 15.280 -1.123 366 HG2 GLU 48 HG2 GLU 48 20.732 15.696 -1.428 367 HG3 GLU 48 HG3 GLU 48 20.736 14.754 -2.918 368 H ASN 49 H ASN 49 21.527 12.259 -0.993 369 HA ASN 49 HA ASN 49 21.373 11.052 -3.671 370 HB2 ASN 49 HB2 ASN 49 23.219 12.687 -3.167 371 HB3 ASN 49 HB3 ASN 49 23.830 11.548 -1.977 372 HD21 ASN 49 HD21 ASN 49 22.434 10.661 -5.079 373 HD22 ASN 49 HD22 ASN 49 23.899 10.047 -5.766 374 H GLU 50 H GLU 50 21.003 10.307 -0.481 375 HA GLU 50 HA GLU 50 22.381 7.752 -0.500 376 HB2 GLU 50 HB2 GLU 50 22.209 9.360 1.494 377 HB3 GLU 50 HB3 GLU 50 20.549 8.806 1.651 378 HG2 GLU 50 HG2 GLU 50 21.245 6.592 2.131 379 HG3 GLU 50 HG3 GLU 50 22.915 6.957 1.691 380 H SER 51 H SER 51 21.126 5.757 0.109 381 HA SER 51 HA SER 51 18.544 5.800 -1.312 382 HB2 SER 51 HB2 SER 51 20.650 3.632 -1.470 383 HB3 SER 51 HB3 SER 51 19.126 3.677 -2.356 384 HG SER 51 HG SER 51 21.419 5.294 -2.672 385 H LEU 52 H LEU 52 16.902 4.548 -0.537 386 HA LEU 52 HA LEU 52 16.898 3.771 2.166 387 HB2 LEU 52 HB2 LEU 52 15.030 3.407 -0.129 388 HB3 LEU 52 HB3 LEU 52 14.752 2.479 1.335 389 HG LEU 52 HG LEU 52 14.819 5.486 1.097 390 HD11 LEU 52 HD11 LEU 52 12.796 4.507 0.201 391 HD12 LEU 52 HD12 LEU 52 12.450 5.288 1.746 392 HD13 LEU 52 HD13 LEU 52 12.593 3.531 1.657 393 HD21 LEU 52 HD21 LEU 52 15.766 4.749 3.227 394 HD22 LEU 52 HD22 LEU 52 14.346 3.743 3.514 395 HD23 LEU 52 HD23 LEU 52 14.185 5.497 3.455 396 H ASP 53 H ASP 53 18.165 2.167 -0.510 397 HA ASP 53 HA ASP 53 18.087 -0.393 0.946 398 HB2 ASP 53 HB2 ASP 53 16.806 -0.409 -1.205 399 HB3 ASP 53 HB3 ASP 53 18.305 -0.042 -2.053 400 H ASP 54 H ASP 54 19.955 1.881 1.088 401 HA ASP 54 HA ASP 54 22.400 0.717 -0.027 402 HB2 ASP 54 HB2 ASP 54 21.692 3.274 -0.046 403 HB3 ASP 54 HB3 ASP 54 22.393 3.250 1.569 404 H GLN 55 H GLN 55 24.239 1.570 1.870 405 HA GLN 55 HA GLN 55 23.833 -0.425 3.932 406 HB2 GLN 55 HB2 GLN 55 26.133 0.220 4.635 407 HB3 GLN 55 HB3 GLN 55 26.021 -0.279 2.954 408 HG2 GLN 55 HG2 GLN 55 25.990 2.097 2.290 409 HG3 GLN 55 HG3 GLN 55 26.221 2.539 3.982 410 HE21 GLN 55 HE21 GLN 55 28.186 2.137 4.962 411 HE22 GLN 55 HE22 GLN 55 29.620 1.812 4.053 412 H ASN 56 H ASN 56 23.734 3.064 3.656 413 HA ASN 56 HA ASN 56 23.247 3.235 6.558 414 HB2 ASN 56 HB2 ASN 56 25.458 4.172 5.880 415 HB3 ASN 56 HB3 ASN 56 24.620 5.314 4.838 416 HD21 ASN 56 HD21 ASN 56 23.464 7.010 5.751 417 HD22 ASN 56 HD22 ASN 56 23.693 7.484 7.410 418 H ILE 57 H ILE 57 21.639 4.591 7.245 419 HA ILE 57 HA ILE 57 20.143 6.077 5.199 420 HB ILE 57 HB ILE 57 19.128 4.204 7.292 421 HG12 ILE 57 HG12 ILE 57 19.358 3.446 4.979 422 HG13 ILE 57 HG13 ILE 57 17.675 3.467 5.482 423 HG21 ILE 57 HG21 ILE 57 17.935 6.111 7.962 424 HG22 ILE 57 HG22 ILE 57 16.828 5.193 6.931 425 HG23 ILE 57 HG23 ILE 57 17.649 6.617 6.291 426 HD11 ILE 57 HD11 ILE 57 17.336 5.560 4.283 427 HD12 ILE 57 HD12 ILE 57 17.938 4.293 3.214 428 HD13 ILE 57 HD13 ILE 57 19.030 5.553 3.791 429 H SER 58 H SER 58 20.578 8.145 5.610 430 HA SER 58 HA SER 58 20.912 9.060 8.360 431 HB2 SER 58 HB2 SER 58 21.066 10.748 5.864 432 HB3 SER 58 HB3 SER 58 21.839 11.030 7.424 433 HG SER 58 HG SER 58 22.469 9.096 5.451 434 H ILE 59 H ILE 59 19.050 9.418 9.413 435 HA ILE 59 HA ILE 59 16.799 10.632 7.961 436 HB ILE 59 HB ILE 59 16.461 9.635 10.747 437 HG12 ILE 59 HG12 ILE 59 16.670 7.777 8.360 438 HG13 ILE 59 HG13 ILE 59 17.820 7.859 9.690 439 HG21 ILE 59 HG21 ILE 59 14.599 10.639 9.539 440 HG22 ILE 59 HG22 ILE 59 14.285 8.931 9.851 441 HG23 ILE 59 HG23 ILE 59 14.785 9.455 8.241 442 HD11 ILE 59 HD11 ILE 59 16.110 7.106 11.238 443 HD12 ILE 59 HD12 ILE 59 16.305 5.965 9.907 444 HD13 ILE 59 HD13 ILE 59 14.929 7.067 9.926 445 H ALA 60 H ALA 60 15.918 12.565 8.646 446 HA ALA 60 HA ALA 60 17.352 13.932 10.833 447 HB1 ALA 60 HB1 ALA 60 17.105 16.025 9.601 448 HB2 ALA 60 HB2 ALA 60 16.307 15.164 8.284 449 HB3 ALA 60 HB3 ALA 60 18.000 14.835 8.655 450 H GLY 61 H GLY 61 16.128 14.660 12.436 451 HA2 GLY 61 HA2 GLY 61 13.278 15.200 11.968 452 HA3 GLY 61 HA3 GLY 61 13.713 14.027 13.205 453 H HIS 62 H HIS 62 12.366 15.887 14.356 454 HA HIS 62 HA HIS 62 14.378 17.634 15.582 455 HB2 HIS 62 HB2 HIS 62 13.267 19.006 13.912 456 HB3 HIS 62 HB3 HIS 62 11.690 18.560 14.553 457 HD1 HIS 62 HD1 HIS 62 14.751 19.821 16.462 458 HD2 HIS 62 HD2 HIS 62 10.802 20.863 15.647 459 HE1 HIS 62 HE1 HIS 62 14.286 21.869 17.844 460 H THR 63 H THR 63 14.405 17.338 17.675 461 HA THR 63 HA THR 63 12.221 16.198 19.154 462 HB THR 63 HB THR 63 14.670 17.538 20.307 463 HG1 THR 63 HG1 THR 63 15.859 15.802 19.826 464 HG21 THR 63 HG21 THR 63 12.969 16.845 21.916 465 HG22 THR 63 HG22 THR 63 14.415 15.849 22.071 466 HG23 THR 63 HG23 THR 63 12.990 15.210 21.253 467 H PHE 64 H PHE 64 11.061 17.289 20.865 468 HA PHE 64 HA PHE 64 11.528 20.045 21.442 469 HB2 PHE 64 HB2 PHE 64 10.134 19.894 19.201 470 HB3 PHE 64 HB3 PHE 64 8.796 19.589 20.303 471 HD1 PHE 64 HD1 PHE 64 8.264 21.309 22.067 472 HD2 PHE 64 HD2 PHE 64 10.964 22.048 18.861 473 HE1 PHE 64 HE1 PHE 64 8.028 23.727 22.431 474 HE2 PHE 64 HE2 PHE 64 10.732 24.471 19.220 475 HZ PHE 64 HZ PHE 64 9.263 25.311 21.010 476 H ILE 65 H ILE 65 11.672 19.209 23.522 477 HA ILE 65 HA ILE 65 9.918 17.390 24.696 478 HB ILE 65 HB ILE 65 11.528 19.479 26.137 479 HG12 ILE 65 HG12 ILE 65 12.354 16.685 25.329 480 HG13 ILE 65 HG13 ILE 65 12.863 18.152 24.498 481 HG21 ILE 65 HG21 ILE 65 11.565 17.816 27.959 482 HG22 ILE 65 HG22 ILE 65 10.476 16.795 27.020 483 HG23 ILE 65 HG23 ILE 65 9.937 18.378 27.582 484 HD11 ILE 65 HD11 ILE 65 13.464 17.449 27.360 485 HD12 ILE 65 HD12 ILE 65 13.971 18.917 26.527 486 HD13 ILE 65 HD13 ILE 65 14.585 17.348 26.005 487 H ASP 66 H ASP 66 9.745 20.889 24.527 488 HA ASP 66 HA ASP 66 7.853 21.229 26.613 489 HB2 ASP 66 HB2 ASP 66 9.344 23.028 25.819 490 HB3 ASP 66 HB3 ASP 66 8.477 23.062 24.287 491 H ARG 67 H ARG 67 7.530 20.284 23.310 492 HA ARG 67 HA ARG 67 4.608 20.671 23.472 493 HB2 ARG 67 HB2 ARG 67 6.498 21.346 21.405 494 HB3 ARG 67 HB3 ARG 67 5.328 20.192 20.795 495 HG2 ARG 67 HG2 ARG 67 4.539 22.375 20.295 496 HG3 ARG 67 HG3 ARG 67 3.513 21.706 21.563 497 HD2 ARG 67 HD2 ARG 67 5.847 23.503 22.165 498 HD3 ARG 67 HD3 ARG 67 4.245 24.139 21.794 499 HE ARG 67 HE ARG 67 4.912 22.457 24.122 500 HH11 ARG 67 HH11 ARG 67 2.831 24.775 22.512 501 HH12 ARG 67 HH12 ARG 67 1.877 25.089 23.935 502 HH21 ARG 67 HH21 ARG 67 3.665 22.873 25.984 503 HH22 ARG 67 HH22 ARG 67 2.368 24.030 25.908 504 HA PRO 68 HA PRO 68 4.934 16.128 23.752 505 HB2 PRO 68 HB2 PRO 68 1.995 16.464 23.967 506 HB3 PRO 68 HB3 PRO 68 3.112 15.597 25.029 507 HG2 PRO 68 HG2 PRO 68 2.029 17.926 25.767 508 HG3 PRO 68 HG3 PRO 68 3.698 17.507 26.195 509 HD2 PRO 68 HD2 PRO 68 2.687 19.358 24.079 510 HD3 PRO 68 HD3 PRO 68 4.107 19.515 25.134 511 H ASN 69 H ASN 69 3.010 18.122 21.647 512 HA ASN 69 HA ASN 69 2.105 15.853 20.072 513 HB2 ASN 69 HB2 ASN 69 0.790 18.053 20.652 514 HB3 ASN 69 HB3 ASN 69 1.653 18.704 19.264 515 HD21 ASN 69 HD21 ASN 69 -0.648 16.349 20.360 516 HD22 ASN 69 HD22 ASN 69 -1.342 16.001 18.812 517 H TYR 70 H TYR 70 4.983 17.124 20.285 518 HA TYR 70 HA TYR 70 5.504 17.341 17.425 519 HB2 TYR 70 HB2 TYR 70 6.880 18.181 19.845 520 HB3 TYR 70 HB3 TYR 70 7.959 17.342 18.737 521 HD1 TYR 70 HD1 TYR 70 5.651 20.221 19.049 522 HD2 TYR 70 HD2 TYR 70 8.710 18.378 16.740 523 HE1 TYR 70 HE1 TYR 70 5.868 22.273 17.715 524 HE2 TYR 70 HE2 TYR 70 8.939 20.428 15.398 525 HH TYR 70 HH TYR 70 7.564 22.413 14.793 526 H GLN 71 H GLN 71 7.954 16.175 17.189 527 HA GLN 71 HA GLN 71 7.123 13.477 16.763 528 HB2 GLN 71 HB2 GLN 71 9.834 14.740 16.395 529 HB3 GLN 71 HB3 GLN 71 9.321 13.191 15.747 530 HG2 GLN 71 HG2 GLN 71 7.714 14.283 14.321 531 HG3 GLN 71 HG3 GLN 71 8.131 15.852 15.019 532 HE21 GLN 71 HE21 GLN 71 9.304 13.156 13.150 533 HE22 GLN 71 HE22 GLN 71 10.578 14.028 12.348 534 H PHE 72 H PHE 72 10.234 14.474 18.056 535 HA PHE 72 HA PHE 72 10.395 11.955 19.495 536 HB2 PHE 72 HB2 PHE 72 12.478 14.082 18.947 537 HB3 PHE 72 HB3 PHE 72 12.794 12.529 19.712 538 HD1 PHE 72 HD1 PHE 72 12.757 10.476 18.419 539 HD2 PHE 72 HD2 PHE 72 12.076 14.249 16.579 540 HE1 PHE 72 HE1 PHE 72 13.124 9.459 16.207 541 HE2 PHE 72 HE2 PHE 72 12.441 13.243 14.365 542 HZ PHE 72 HZ PHE 72 12.966 10.845 14.176 543 H THR 73 H THR 73 8.636 13.883 20.619 544 HA THR 73 HA THR 73 9.807 15.424 22.655 545 HB THR 73 HB THR 73 7.045 14.235 22.900 546 HG1 THR 73 HG1 THR 73 6.397 15.367 21.219 547 HG21 THR 73 HG21 THR 73 6.612 16.564 23.755 548 HG22 THR 73 HG22 THR 73 8.351 16.832 23.687 549 HG23 THR 73 HG23 THR 73 7.693 15.589 24.749 550 H ASN 74 H ASN 74 8.971 12.039 22.473 551 HA ASN 74 HA ASN 74 9.554 11.701 25.330 552 HB2 ASN 74 HB2 ASN 74 7.471 10.719 24.181 553 HB3 ASN 74 HB3 ASN 74 8.574 9.547 23.471 554 HD21 ASN 74 HD21 ASN 74 7.672 7.819 24.526 555 HD22 ASN 74 HD22 ASN 74 7.826 7.573 26.236 556 H LEU 75 H LEU 75 11.362 11.875 22.675 557 HA LEU 75 HA LEU 75 12.840 9.476 22.559 558 HB2 LEU 75 HB2 LEU 75 12.814 11.522 20.967 559 HB3 LEU 75 HB3 LEU 75 14.021 12.194 22.036 560 HG LEU 75 HG LEU 75 14.912 11.125 19.953 561 HD11 LEU 75 HD11 LEU 75 15.845 9.951 22.559 562 HD12 LEU 75 HD12 LEU 75 16.388 11.462 21.827 563 HD13 LEU 75 HD13 LEU 75 16.747 9.922 21.043 564 HD21 LEU 75 HD21 LEU 75 15.058 8.702 19.839 565 HD22 LEU 75 HD22 LEU 75 13.378 9.240 19.824 566 HD23 LEU 75 HD23 LEU 75 14.071 8.565 21.297 567 H LYS 76 H LYS 76 12.916 12.181 24.699 568 HA LYS 76 HA LYS 76 15.376 11.923 25.950 569 HB2 LYS 76 HB2 LYS 76 14.142 12.901 27.953 570 HB3 LYS 76 HB3 LYS 76 14.073 13.819 26.455 571 HG2 LYS 76 HG2 LYS 76 11.894 13.922 27.138 572 HG3 LYS 76 HG3 LYS 76 11.839 12.514 26.092 573 HD2 LYS 76 HD2 LYS 76 11.987 11.050 28.031 574 HD3 LYS 76 HD3 LYS 76 12.096 12.454 29.098 575 HE2 LYS 76 HE2 LYS 76 9.880 13.176 28.389 576 HE3 LYS 76 HE3 LYS 76 9.772 11.813 27.278 577 HZ1 LYS 76 HZ1 LYS 76 10.070 11.537 30.220 578 HZ2 LYS 76 HZ2 LYS 76 9.742 10.303 29.102 579 HZ3 LYS 76 HZ3 LYS 76 8.582 11.495 29.406 580 H ALA 77 H ALA 77 12.605 9.882 26.136 581 HA ALA 77 HA ALA 77 13.432 8.602 28.605 582 HB1 ALA 77 HB1 ALA 77 11.183 7.873 26.738 583 HB2 ALA 77 HB2 ALA 77 11.053 8.991 28.098 584 HB3 ALA 77 HB3 ALA 77 11.421 7.289 28.385 585 H ALA 78 H ALA 78 14.526 8.377 25.524 586 HA ALA 78 HA ALA 78 14.759 5.472 25.454 587 HB1 ALA 78 HB1 ALA 78 14.235 6.655 23.378 588 HB2 ALA 78 HB2 ALA 78 15.767 5.792 23.259 589 HB3 ALA 78 HB3 ALA 78 15.757 7.540 23.495 590 H LYS 79 H LYS 79 16.943 4.553 24.914 591 HA LYS 79 HA LYS 79 19.128 6.017 26.186 592 HB2 LYS 79 HB2 LYS 79 19.811 3.814 27.313 593 HB3 LYS 79 HB3 LYS 79 18.524 4.746 28.046 594 HG2 LYS 79 HG2 LYS 79 17.864 2.528 26.153 595 HG3 LYS 79 HG3 LYS 79 18.307 2.169 27.823 596 HD2 LYS 79 HD2 LYS 79 16.506 3.693 28.585 597 HD3 LYS 79 HD3 LYS 79 16.035 3.936 26.904 598 HE2 LYS 79 HE2 LYS 79 14.595 2.295 27.960 599 HE3 LYS 79 HE3 LYS 79 15.565 1.536 26.700 600 HZ1 LYS 79 HZ1 LYS 79 15.423 0.214 28.761 601 HZ2 LYS 79 HZ2 LYS 79 16.215 1.457 29.599 602 HZ3 LYS 79 HZ3 LYS 79 17.015 0.629 28.361 603 H LYS 80 H LYS 80 21.117 4.270 26.087 604 HA LYS 80 HA LYS 80 21.684 4.291 23.282 605 HB2 LYS 80 HB2 LYS 80 23.924 3.841 23.840 606 HB3 LYS 80 HB3 LYS 80 23.327 4.853 25.142 607 HG2 LYS 80 HG2 LYS 80 23.586 1.854 25.275 608 HG3 LYS 80 HG3 LYS 80 24.768 3.000 25.902 609 HD2 LYS 80 HD2 LYS 80 21.899 2.758 26.810 610 HD3 LYS 80 HD3 LYS 80 23.304 2.125 27.666 611 HE2 LYS 80 HE2 LYS 80 22.751 5.027 27.064 612 HE3 LYS 80 HE3 LYS 80 22.547 4.238 28.626 613 HZ1 LYS 80 HZ1 LYS 80 24.941 3.748 28.608 614 HZ2 LYS 80 HZ2 LYS 80 24.615 5.413 28.584 615 HZ3 LYS 80 HZ3 LYS 80 25.103 4.625 27.163 616 H GLY 81 H GLY 81 20.066 2.123 25.084 617 HA2 GLY 81 HA2 GLY 81 20.854 -0.078 23.289 618 HA3 GLY 81 HA3 GLY 81 20.440 -0.360 24.972 619 H SER 82 H SER 82 18.770 2.017 23.107 620 HA SER 82 HA SER 82 16.298 0.621 23.397 621 HB2 SER 82 HB2 SER 82 17.018 3.307 22.202 622 HB3 SER 82 HB3 SER 82 15.369 2.685 22.311 623 HG SER 82 HG SER 82 15.519 2.707 24.529 624 H MET 83 H MET 83 14.919 0.272 21.634 625 HA MET 83 HA MET 83 16.407 -0.795 19.353 626 HB2 MET 83 HB2 MET 83 13.710 -1.469 20.500 627 HB3 MET 83 HB3 MET 83 14.225 -2.045 18.921 628 HG2 MET 83 HG2 MET 83 16.289 -2.564 20.800 629 HG3 MET 83 HG3 MET 83 14.762 -3.156 21.453 630 HE1 MET 83 HE1 MET 83 17.248 -3.264 18.436 631 HE2 MET 83 HE2 MET 83 15.727 -2.879 17.630 632 HE3 MET 83 HE3 MET 83 16.492 -4.447 17.369 633 H VAL 84 H VAL 84 16.524 0.461 17.698 634 HA VAL 84 HA VAL 84 14.295 2.220 16.988 635 HB VAL 84 HB VAL 84 17.080 2.007 15.815 636 HG11 VAL 84 HG11 VAL 84 14.891 4.002 15.241 637 HG12 VAL 84 HG12 VAL 84 15.468 2.748 14.142 638 HG13 VAL 84 HG13 VAL 84 16.539 4.067 14.615 639 HG21 VAL 84 HG21 VAL 84 15.846 4.113 17.587 640 HG22 VAL 84 HG22 VAL 84 17.471 4.159 16.901 641 HG23 VAL 84 HG23 VAL 84 17.045 2.919 18.082 642 H TYR 85 H TYR 85 12.801 1.445 15.667 643 HA TYR 85 HA TYR 85 13.571 -0.687 13.786 644 HB2 TYR 85 HB2 TYR 85 10.862 0.008 14.939 645 HB3 TYR 85 HB3 TYR 85 11.123 -1.198 13.685 646 HD1 TYR 85 HD1 TYR 85 12.846 -3.080 14.280 647 HD2 TYR 85 HD2 TYR 85 10.861 -0.657 17.157 648 HE1 TYR 85 HE1 TYR 85 13.271 -4.784 15.998 649 HE2 TYR 85 HE2 TYR 85 11.281 -2.359 18.881 650 HH TYR 85 HH TYR 85 13.488 -4.811 18.551 651 H PHE 86 H PHE 86 13.494 -0.323 11.685 652 HA PHE 86 HA PHE 86 12.044 2.065 10.753 653 HB2 PHE 86 HB2 PHE 86 14.540 2.274 10.647 654 HB3 PHE 86 HB3 PHE 86 14.566 0.907 9.538 655 HD1 PHE 86 HD1 PHE 86 12.527 4.025 9.826 656 HD2 PHE 86 HD2 PHE 86 14.978 1.548 7.384 657 HE1 PHE 86 HE1 PHE 86 12.197 5.568 7.936 658 HE2 PHE 86 HE2 PHE 86 14.653 3.085 5.492 659 HZ PHE 86 HZ PHE 86 13.262 5.097 5.767 660 H LYS 87 H LYS 87 10.234 1.312 9.862 661 HA LYS 87 HA LYS 87 10.205 -1.206 8.420 662 HB2 LYS 87 HB2 LYS 87 8.062 0.807 9.068 663 HB3 LYS 87 HB3 LYS 87 7.779 -0.581 8.044 664 HG2 LYS 87 HG2 LYS 87 8.707 -1.916 10.084 665 HG3 LYS 87 HG3 LYS 87 8.256 -0.459 10.974 666 HD2 LYS 87 HD2 LYS 87 6.420 -2.068 9.196 667 HD3 LYS 87 HD3 LYS 87 6.436 -2.118 10.958 668 HE2 LYS 87 HE2 LYS 87 6.146 0.554 9.727 669 HE3 LYS 87 HE3 LYS 87 4.785 -0.551 9.522 670 HZ1 LYS 87 HZ1 LYS 87 4.568 0.825 11.507 671 HZ2 LYS 87 HZ2 LYS 87 6.018 0.189 12.124 672 HZ3 LYS 87 HZ3 LYS 87 4.671 -0.819 11.906 673 H VAL 88 H VAL 88 10.180 -1.447 6.309 674 HA VAL 88 HA VAL 88 9.425 0.788 4.594 675 HB VAL 88 HB VAL 88 11.252 0.048 2.951 676 HG11 VAL 88 HG11 VAL 88 12.922 1.532 3.967 677 HG12 VAL 88 HG12 VAL 88 12.023 1.483 5.483 678 HG13 VAL 88 HG13 VAL 88 11.294 2.200 4.047 679 HG21 VAL 88 HG21 VAL 88 11.934 -2.001 4.102 680 HG22 VAL 88 HG22 VAL 88 12.466 -1.050 5.489 681 HG23 VAL 88 HG23 VAL 88 13.288 -0.882 3.937 682 H GLY 89 H GLY 89 7.521 -0.141 4.069 683 HA2 GLY 89 HA2 GLY 89 6.098 -1.568 2.919 684 HA3 GLY 89 HA3 GLY 89 7.504 -2.498 2.405 685 H ASN 90 H ASN 90 7.533 -4.508 3.172 686 HA ASN 90 HA ASN 90 6.170 -5.112 5.688 687 HB2 ASN 90 HB2 ASN 90 5.766 -6.549 3.700 688 HB3 ASN 90 HB3 ASN 90 7.472 -6.976 3.687 689 HD21 ASN 90 HD21 ASN 90 5.472 -6.607 6.566 690 HD22 ASN 90 HD22 ASN 90 5.542 -8.275 7.038 691 H GLU 91 H GLU 91 9.201 -4.251 4.619 692 HA GLU 91 HA GLU 91 10.775 -5.928 6.325 693 HB2 GLU 91 HB2 GLU 91 11.276 -3.734 4.423 694 HB3 GLU 91 HB3 GLU 91 12.448 -3.913 5.713 695 HG2 GLU 91 HG2 GLU 91 11.639 -6.295 4.122 696 HG3 GLU 91 HG3 GLU 91 12.786 -5.135 3.454 697 H THR 92 H THR 92 11.701 -5.454 8.195 698 HA THR 92 HA THR 92 11.383 -2.794 9.355 699 HB THR 92 HB THR 92 10.698 -5.311 10.900 700 HG1 THR 92 HG1 THR 92 9.206 -4.036 9.167 701 HG21 THR 92 HG21 THR 92 11.647 -3.511 12.268 702 HG22 THR 92 HG22 THR 92 9.932 -3.743 12.624 703 HG23 THR 92 HG23 THR 92 10.453 -2.386 11.621 704 H ARG 93 H ARG 93 13.509 -2.343 9.260 705 HA ARG 93 HA ARG 93 15.521 -4.267 10.022 706 HB2 ARG 93 HB2 ARG 93 15.730 -1.323 9.366 707 HB3 ARG 93 HB3 ARG 93 17.094 -2.395 9.617 708 HG2 ARG 93 HG2 ARG 93 15.057 -2.764 7.438 709 HG3 ARG 93 HG3 ARG 93 16.565 -1.874 7.239 710 HD2 ARG 93 HD2 ARG 93 17.271 -3.908 6.508 711 HD3 ARG 93 HD3 ARG 93 17.571 -4.132 8.230 712 HE ARG 93 HE ARG 93 15.048 -5.031 7.014 713 HH11 ARG 93 HH11 ARG 93 18.000 -5.711 8.776 714 HH12 ARG 93 HH12 ARG 93 17.554 -7.364 9.109 715 HH21 ARG 93 HH21 ARG 93 14.452 -7.172 7.446 716 HH22 ARG 93 HH22 ARG 93 15.509 -8.185 8.396 717 H LYS 94 H LYS 94 16.557 -4.370 11.978 718 HA LYS 94 HA LYS 94 15.523 -2.583 14.075 719 HB2 LYS 94 HB2 LYS 94 17.130 -5.036 14.690 720 HB3 LYS 94 HB3 LYS 94 15.889 -4.248 15.640 721 HG2 LYS 94 HG2 LYS 94 14.164 -5.101 14.191 722 HG3 LYS 94 HG3 LYS 94 15.380 -5.829 13.138 723 HD2 LYS 94 HD2 LYS 94 15.003 -6.513 16.052 724 HD3 LYS 94 HD3 LYS 94 14.337 -7.444 14.711 725 HE2 LYS 94 HE2 LYS 94 17.281 -6.898 15.118 726 HE3 LYS 94 HE3 LYS 94 16.462 -8.372 15.629 727 HZ1 LYS 94 HZ1 LYS 94 15.812 -8.682 13.260 728 HZ2 LYS 94 HZ2 LYS 94 17.478 -8.795 13.565 729 HZ3 LYS 94 HZ3 LYS 94 16.842 -7.390 12.859 730 H TYR 95 H TYR 95 16.816 -1.077 14.893 731 HA TYR 95 HA TYR 95 19.728 -1.436 14.599 732 HB2 TYR 95 HB2 TYR 95 18.155 1.146 14.423 733 HB3 TYR 95 HB3 TYR 95 19.908 1.009 14.342 734 HD1 TYR 95 HD1 TYR 95 16.762 0.383 12.568 735 HD2 TYR 95 HD2 TYR 95 20.999 0.209 12.354 736 HE1 TYR 95 HE1 TYR 95 16.620 0.080 10.135 737 HE2 TYR 95 HE2 TYR 95 20.876 -0.094 9.918 738 HH TYR 95 HH TYR 95 19.319 -0.850 8.239 739 H LYS 96 H LYS 96 21.026 -0.619 16.292 740 HA LYS 96 HA LYS 96 19.530 -0.106 18.777 741 HB2 LYS 96 HB2 LYS 96 20.815 -2.228 18.798 742 HB3 LYS 96 HB3 LYS 96 22.289 -1.309 18.483 743 HG2 LYS 96 HG2 LYS 96 22.368 -0.437 20.592 744 HG3 LYS 96 HG3 LYS 96 20.629 -0.579 20.844 745 HD2 LYS 96 HD2 LYS 96 21.863 -2.157 22.224 746 HD3 LYS 96 HD3 LYS 96 20.841 -2.987 21.054 747 HE2 LYS 96 HE2 LYS 96 23.037 -4.050 21.241 748 HE3 LYS 96 HE3 LYS 96 22.778 -3.392 19.628 749 HZ1 LYS 96 HZ1 LYS 96 24.217 -1.606 20.071 750 HZ2 LYS 96 HZ2 LYS 96 25.024 -2.972 20.659 751 HZ3 LYS 96 HZ3 LYS 96 24.251 -1.910 21.734 752 H MET 97 H MET 97 20.146 1.588 20.053 753 HA MET 97 HA MET 97 21.495 3.711 18.590 754 HB2 MET 97 HB2 MET 97 20.244 3.834 21.347 755 HB3 MET 97 HB3 MET 97 20.632 5.193 20.299 756 HG2 MET 97 HG2 MET 97 18.952 4.433 18.699 757 HG3 MET 97 HG3 MET 97 18.558 3.084 19.757 758 HE1 MET 97 HE1 MET 97 19.322 6.897 20.605 759 HE2 MET 97 HE2 MET 97 17.670 7.519 20.637 760 HE3 MET 97 HE3 MET 97 18.349 6.898 19.133 761 H THR 98 H THR 98 23.361 1.980 19.004 762 HA THR 98 HA THR 98 24.489 2.013 21.638 763 HB THR 98 HB THR 98 24.625 -0.046 20.565 764 HG1 THR 98 HG1 THR 98 27.256 0.855 20.050 765 HG21 THR 98 HG21 THR 98 25.703 1.458 18.211 766 HG22 THR 98 HG22 THR 98 24.222 0.499 18.326 767 HG23 THR 98 HG23 THR 98 25.796 -0.298 18.348 768 H SER 99 H SER 99 24.602 4.287 19.305 769 HA SER 99 HA SER 99 26.993 5.419 20.519 770 HB2 SER 99 HB2 SER 99 26.640 5.189 17.519 771 HB3 SER 99 HB3 SER 99 27.894 6.141 18.319 772 HG SER 99 HG SER 99 27.834 3.612 19.279 773 H ILE 100 H ILE 100 26.037 7.106 21.503 774 HA ILE 100 HA ILE 100 24.386 8.902 19.846 775 HB ILE 100 HB ILE 100 24.039 8.338 22.801 776 HG12 ILE 100 HG12 ILE 100 22.213 7.705 20.472 777 HG13 ILE 100 HG13 ILE 100 23.236 6.531 21.293 778 HG21 ILE 100 HG21 ILE 100 22.482 10.164 20.966 779 HG22 ILE 100 HG22 ILE 100 23.556 10.666 22.272 780 HG23 ILE 100 HG23 ILE 100 22.067 9.797 22.641 781 HD11 ILE 100 HD11 ILE 100 22.000 6.917 23.364 782 HD12 ILE 100 HD12 ILE 100 20.947 6.372 22.058 783 HD13 ILE 100 HD13 ILE 100 20.965 8.074 22.526 784 H ARG 101 H ARG 101 24.904 11.030 19.876 785 HA ARG 101 HA ARG 101 26.531 12.140 21.993 786 HB2 ARG 101 HB2 ARG 101 28.260 11.231 20.548 787 HB3 ARG 101 HB3 ARG 101 27.527 11.984 19.140 788 HG2 ARG 101 HG2 ARG 101 27.992 14.201 20.149 789 HG3 ARG 101 HG3 ARG 101 28.839 13.379 21.455 790 HD2 ARG 101 HD2 ARG 101 29.580 12.975 18.577 791 HD3 ARG 101 HD3 ARG 101 30.237 14.306 19.526 792 HE ARG 101 HE ARG 101 30.741 11.441 19.949 793 HH11 ARG 101 HH11 ARG 101 31.325 14.776 20.855 794 HH12 ARG 101 HH12 ARG 101 32.868 14.442 21.593 795 HH21 ARG 101 HH21 ARG 101 32.776 10.994 20.907 796 HH22 ARG 101 HH22 ARG 101 33.693 12.295 21.604 797 H ASP 102 H ASP 102 26.623 14.463 21.911 798 HA ASP 102 HA ASP 102 24.913 15.718 19.874 799 HB2 ASP 102 HB2 ASP 102 23.999 17.253 21.511 800 HB3 ASP 102 HB3 ASP 102 23.703 15.606 22.053 801 H VAL 103 H VAL 103 25.711 17.609 19.013 802 HA VAL 103 HA VAL 103 28.387 18.371 19.988 803 HB VAL 103 HB VAL 103 28.957 18.993 17.643 804 HG11 VAL 103 HG11 VAL 103 28.182 16.114 18.102 805 HG12 VAL 103 HG12 VAL 103 29.699 16.877 18.576 806 HG13 VAL 103 HG13 VAL 103 29.304 16.688 16.868 807 HG21 VAL 103 HG21 VAL 103 26.689 19.272 16.776 808 HG22 VAL 103 HG22 VAL 103 26.396 17.544 16.973 809 HG23 VAL 103 HG23 VAL 103 27.600 18.107 15.813 810 H LYS 104 H LYS 104 28.922 20.603 18.628 811 HA LYS 104 HA LYS 104 27.133 22.449 19.988 812 HB2 LYS 104 HB2 LYS 104 28.917 24.082 19.720 813 HB3 LYS 104 HB3 LYS 104 29.558 22.592 20.392 814 HG2 LYS 104 HG2 LYS 104 30.441 21.965 18.215 815 HG3 LYS 104 HG3 LYS 104 29.764 23.432 17.506 816 HD2 LYS 104 HD2 LYS 104 31.142 24.727 19.180 817 HD3 LYS 104 HD3 LYS 104 31.948 23.208 19.567 818 HE2 LYS 104 HE2 LYS 104 31.847 24.482 16.836 819 HE3 LYS 104 HE3 LYS 104 33.207 24.569 17.949 820 HZ1 LYS 104 HZ1 LYS 104 32.139 22.147 16.611 821 HZ2 LYS 104 HZ2 LYS 104 33.303 22.100 17.845 822 HZ3 LYS 104 HZ3 LYS 104 33.651 22.872 16.374 823 HA PRO 105 HA PRO 105 25.388 24.091 16.237 824 HB2 PRO 105 HB2 PRO 105 24.736 26.580 17.029 825 HB3 PRO 105 HB3 PRO 105 23.886 25.152 17.629 826 HG2 PRO 105 HG2 PRO 105 26.024 26.777 18.942 827 HG3 PRO 105 HG3 PRO 105 24.552 26.081 19.644 828 HD2 PRO 105 HD2 PRO 105 27.039 24.951 19.881 829 HD3 PRO 105 HD3 PRO 105 25.523 24.032 19.950 830 H THR 106 H THR 106 25.494 26.174 14.868 831 HA THR 106 HA THR 106 26.670 27.453 13.428 832 HB THR 106 HB THR 106 28.337 29.037 14.393 833 HG1 THR 106 HG1 THR 106 28.428 27.213 16.350 834 HG21 THR 106 HG21 THR 106 25.976 29.610 14.389 835 HG22 THR 106 HG22 THR 106 26.749 30.213 15.854 836 HG23 THR 106 HG23 THR 106 25.749 28.765 15.921 837 H ASP 107 H ASP 107 27.610 24.689 13.922 838 HA ASP 107 HA ASP 107 30.029 24.765 12.414 839 HB2 ASP 107 HB2 ASP 107 30.984 25.274 14.604 840 HB3 ASP 107 HB3 ASP 107 30.156 23.893 15.312 841 H VAL 108 H VAL 108 30.356 22.827 11.392 842 HA VAL 108 HA VAL 108 28.801 20.525 12.362 843 HB VAL 108 HB VAL 108 28.360 19.825 10.053 844 HG11 VAL 108 HG11 VAL 108 27.396 22.614 10.675 845 HG12 VAL 108 HG12 VAL 108 26.649 21.101 11.194 846 HG13 VAL 108 HG13 VAL 108 26.678 21.531 9.483 847 HG21 VAL 108 HG21 VAL 108 29.560 22.479 9.267 848 HG22 VAL 108 HG22 VAL 108 28.738 21.358 8.179 849 HG23 VAL 108 HG23 VAL 108 30.253 20.889 8.951 850 H GLU 109 H GLU 109 31.812 21.697 11.837 851 HA GLU 109 HA GLU 109 32.878 19.280 10.604 852 HB2 GLU 109 HB2 GLU 109 34.997 20.514 10.438 853 HB3 GLU 109 HB3 GLU 109 33.666 21.363 9.667 854 HG2 GLU 109 HG2 GLU 109 33.467 22.802 11.648 855 HG3 GLU 109 HG3 GLU 109 34.853 21.976 12.361 856 H VAL 110 H VAL 110 32.267 20.396 13.678 857 HA VAL 110 HA VAL 110 34.361 19.356 15.190 858 HB VAL 110 HB VAL 110 32.549 20.534 16.280 859 HG11 VAL 110 HG11 VAL 110 30.319 19.545 16.559 860 HG12 VAL 110 HG12 VAL 110 30.780 18.225 15.485 861 HG13 VAL 110 HG13 VAL 110 30.695 19.875 14.867 862 HG21 VAL 110 HG21 VAL 110 33.768 18.949 17.654 863 HG22 VAL 110 HG22 VAL 110 32.655 17.662 17.190 864 HG23 VAL 110 HG23 VAL 110 32.078 19.021 18.155 865 H LEU 111 H LEU 111 31.598 17.753 13.703 866 HA LEU 111 HA LEU 111 33.182 15.289 13.634 867 HB2 LEU 111 HB2 LEU 111 30.427 15.653 14.583 868 HB3 LEU 111 HB3 LEU 111 30.646 14.337 13.450 869 HG LEU 111 HG LEU 111 32.528 13.544 14.985 870 HD11 LEU 111 HD11 LEU 111 32.330 14.211 17.327 871 HD12 LEU 111 HD12 LEU 111 31.137 15.429 16.875 872 HD13 LEU 111 HD13 LEU 111 32.796 15.559 16.288 873 HD21 LEU 111 HD21 LEU 111 30.400 12.418 14.755 874 HD22 LEU 111 HD22 LEU 111 29.677 13.500 15.947 875 HD23 LEU 111 HD23 LEU 111 30.950 12.375 16.429 876 H ASP 112 H ASP 112 33.823 15.320 11.628 877 HA ASP 112 HA ASP 112 31.907 15.318 9.471 878 HB2 ASP 112 HB2 ASP 112 32.475 17.774 9.974 879 HB3 ASP 112 HB3 ASP 112 34.085 17.409 9.365 880 H GLU 113 H GLU 113 33.609 15.636 7.344 881 HA GLU 113 HA GLU 113 34.671 14.177 5.978 882 HB2 GLU 113 HB2 GLU 113 37.089 13.892 6.488 883 HB3 GLU 113 HB3 GLU 113 36.528 15.553 6.571 884 HG2 GLU 113 HG2 GLU 113 36.517 15.447 8.996 885 HG3 GLU 113 HG3 GLU 113 37.011 13.755 8.935 886 H GLN 114 H GLN 114 33.007 12.617 6.735 887 HA GLN 114 HA GLN 114 33.610 10.605 8.610 888 HB2 GLN 114 HB2 GLN 114 31.727 10.536 6.242 889 HB3 GLN 114 HB3 GLN 114 31.813 9.286 7.469 890 HG2 GLN 114 HG2 GLN 114 30.018 10.521 8.174 891 HG3 GLN 114 HG3 GLN 114 31.327 11.222 9.120 892 HE21 GLN 114 HE21 GLN 114 31.990 13.314 8.691 893 HE22 GLN 114 HE22 GLN 114 31.102 14.392 7.667 894 H LYS 115 H LYS 115 34.710 8.746 8.468 895 HA LYS 115 HA LYS 115 36.402 8.372 6.146 896 HB2 LYS 115 HB2 LYS 115 36.247 6.674 8.646 897 HB3 LYS 115 HB3 LYS 115 37.574 6.758 7.494 898 HG2 LYS 115 HG2 LYS 115 36.675 8.977 9.322 899 HG3 LYS 115 HG3 LYS 115 38.109 7.973 9.523 900 HD2 LYS 115 HD2 LYS 115 39.132 8.895 7.591 901 HD3 LYS 115 HD3 LYS 115 37.635 9.682 7.093 902 HE2 LYS 115 HE2 LYS 115 37.740 11.134 9.055 903 HE3 LYS 115 HE3 LYS 115 39.230 10.341 9.568 904 HZ1 LYS 115 HZ1 LYS 115 39.529 12.498 8.365 905 HZ2 LYS 115 HZ2 LYS 115 38.944 11.738 6.965 906 HZ3 LYS 115 HZ3 LYS 115 40.374 11.186 7.695 907 H GLY 116 H GLY 116 33.670 8.008 5.651 908 HA2 GLY 116 HA2 GLY 116 32.726 6.399 4.137 909 HA3 GLY 116 HA3 GLY 116 33.543 5.133 5.045 910 H LYS 117 H LYS 117 30.646 5.683 4.348 911 HA LYS 117 HA LYS 117 29.389 6.014 6.930 912 HB2 LYS 117 HB2 LYS 117 28.134 4.908 4.410 913 HB3 LYS 117 HB3 LYS 117 27.309 5.617 5.787 914 HG2 LYS 117 HG2 LYS 117 29.148 7.135 3.951 915 HG3 LYS 117 HG3 LYS 117 27.399 7.070 3.779 916 HD2 LYS 117 HD2 LYS 117 28.751 8.033 6.289 917 HD3 LYS 117 HD3 LYS 117 28.345 9.108 4.952 918 HE2 LYS 117 HE2 LYS 117 26.377 7.393 6.463 919 HE3 LYS 117 HE3 LYS 117 26.649 9.109 6.750 920 HZ1 LYS 117 HZ1 LYS 117 24.708 8.724 5.351 921 HZ2 LYS 117 HZ2 LYS 117 25.653 7.931 4.205 922 HZ3 LYS 117 HZ3 LYS 117 25.889 9.583 4.495 923 H ASP 118 H ASP 118 27.896 4.169 7.724 924 HA ASP 118 HA ASP 118 29.039 1.547 7.027 925 HB2 ASP 118 HB2 ASP 118 29.652 2.497 9.394 926 HB3 ASP 118 HB3 ASP 118 27.995 2.034 9.797 927 H LYS 119 H LYS 119 27.260 0.103 8.708 928 HA LYS 119 HA LYS 119 24.836 0.430 7.100 929 HB2 LYS 119 HB2 LYS 119 25.790 -1.983 8.640 930 HB3 LYS 119 HB3 LYS 119 24.438 -1.925 7.515 931 HG2 LYS 119 HG2 LYS 119 26.031 -2.811 6.142 932 HG3 LYS 119 HG3 LYS 119 26.321 -1.098 5.853 933 HD2 LYS 119 HD2 LYS 119 27.929 -1.379 7.938 934 HD3 LYS 119 HD3 LYS 119 27.948 -3.056 7.395 935 HE2 LYS 119 HE2 LYS 119 28.808 -2.441 5.267 936 HE3 LYS 119 HE3 LYS 119 28.531 -0.727 5.577 937 HZ1 LYS 119 HZ1 LYS 119 30.185 -0.884 7.394 938 HZ2 LYS 119 HZ2 LYS 119 30.846 -1.202 5.865 939 HZ3 LYS 119 HZ3 LYS 119 30.513 -2.483 6.931 940 H GLN 120 H GLN 120 23.880 1.993 8.330 941 HA GLN 120 HA GLN 120 22.655 1.318 10.823 942 HB2 GLN 120 HB2 GLN 120 23.890 3.055 12.134 943 HB3 GLN 120 HB3 GLN 120 24.875 1.668 11.688 944 HG2 GLN 120 HG2 GLN 120 25.745 2.996 9.771 945 HG3 GLN 120 HG3 GLN 120 24.893 4.393 10.424 946 HE21 GLN 120 HE21 GLN 120 26.790 5.524 10.747 947 HE22 GLN 120 HE22 GLN 120 27.903 5.127 12.007 948 H LEU 121 H LEU 121 21.735 3.485 11.801 949 HA LEU 121 HA LEU 121 20.921 5.179 9.532 950 HB2 LEU 121 HB2 LEU 121 19.531 5.163 12.199 951 HB3 LEU 121 HB3 LEU 121 18.933 5.736 10.648 952 HG LEU 121 HG LEU 121 19.352 2.836 11.381 953 HD11 LEU 121 HD11 LEU 121 16.920 2.725 11.413 954 HD12 LEU 121 HD12 LEU 121 16.824 4.456 11.088 955 HD13 LEU 121 HD13 LEU 121 17.508 3.880 12.609 956 HD21 LEU 121 HD21 LEU 121 18.182 2.377 9.299 957 HD22 LEU 121 HD22 LEU 121 19.657 3.293 8.995 958 HD23 LEU 121 HD23 LEU 121 18.091 4.103 8.954 959 H THR 122 H THR 122 21.461 7.252 9.519 960 HA THR 122 HA THR 122 22.974 8.290 11.808 961 HB THR 122 HB THR 122 22.792 9.478 9.033 962 HG1 THR 122 HG1 THR 122 23.908 7.188 9.704 963 HG21 THR 122 HG21 THR 122 23.595 10.986 10.802 964 HG22 THR 122 HG22 THR 122 24.875 10.595 9.654 965 HG23 THR 122 HG23 THR 122 24.836 9.812 11.234 966 H LEU 123 H LEU 123 21.169 8.826 13.106 967 HA LEU 123 HA LEU 123 19.062 10.465 12.033 968 HB2 LEU 123 HB2 LEU 123 19.659 9.474 14.804 969 HB3 LEU 123 HB3 LEU 123 18.332 10.563 14.470 970 HG LEU 123 HG LEU 123 17.527 8.772 12.815 971 HD11 LEU 123 HD11 LEU 123 19.550 7.442 12.738 972 HD12 LEU 123 HD12 LEU 123 18.200 6.488 13.354 973 HD13 LEU 123 HD13 LEU 123 19.418 7.111 14.465 974 HD21 LEU 123 HD21 LEU 123 17.506 8.239 15.783 975 HD22 LEU 123 HD22 LEU 123 16.389 7.547 14.607 976 HD23 LEU 123 HD23 LEU 123 16.393 9.285 14.901 977 H ILE 124 H ILE 124 19.467 12.493 11.580 978 HA ILE 124 HA ILE 124 21.008 14.142 13.448 979 HB ILE 124 HB ILE 124 19.753 14.994 10.829 980 HG12 ILE 124 HG12 ILE 124 22.619 14.139 11.300 981 HG13 ILE 124 HG13 ILE 124 21.398 13.129 10.532 982 HG21 ILE 124 HG21 ILE 124 21.384 16.828 10.963 983 HG22 ILE 124 HG22 ILE 124 21.936 16.211 12.522 984 HG23 ILE 124 HG23 ILE 124 20.289 16.817 12.347 985 HD11 ILE 124 HD11 ILE 124 22.429 15.763 9.510 986 HD12 ILE 124 HD12 ILE 124 21.166 14.794 8.747 987 HD13 ILE 124 HD13 ILE 124 22.809 14.164 8.872 988 H THR 125 H THR 125 19.649 14.429 15.166 989 HA THR 125 HA THR 125 16.987 15.538 14.565 990 HB THR 125 HB THR 125 17.612 13.737 16.912 991 HG1 THR 125 HG1 THR 125 17.542 12.970 14.462 992 HG21 THR 125 HG21 THR 125 15.169 13.531 17.051 993 HG22 THR 125 HG22 THR 125 14.997 14.649 15.696 994 HG23 THR 125 HG23 THR 125 15.682 15.210 17.223 995 H CYS 126 H CYS 126 18.300 17.553 14.758 996 HA CYS 126 HA CYS 126 19.533 18.389 17.106 997 HB2 CYS 126 HB2 CYS 126 18.031 20.083 15.095 998 HB3 CYS 126 HB3 CYS 126 19.208 20.676 16.260 999 H ASP 127 H ASP 127 18.769 18.731 19.071 1000 HA ASP 127 HA ASP 127 16.030 18.454 19.710 1001 HB2 ASP 127 HB2 ASP 127 18.346 19.457 21.384 1002 HB3 ASP 127 HB3 ASP 127 16.732 19.159 22.018 1003 H ASP 128 H ASP 128 18.167 21.237 19.461 1004 HA ASP 128 HA ASP 128 15.982 23.049 20.126 1005 HB2 ASP 128 HB2 ASP 128 18.919 23.527 19.616 1006 HB3 ASP 128 HB3 ASP 128 17.757 24.823 19.871 1007 H TYR 129 H TYR 129 15.215 24.628 18.766 1008 HA TYR 129 HA TYR 129 16.324 25.387 16.326 1009 HB2 TYR 129 HB2 TYR 129 15.616 23.095 15.592 1010 HB3 TYR 129 HB3 TYR 129 13.947 23.552 15.927 1011 HD1 TYR 129 HD1 TYR 129 16.888 24.362 13.839 1012 HD2 TYR 129 HD2 TYR 129 12.686 24.780 14.336 1013 HE1 TYR 129 HE1 TYR 129 16.723 25.321 11.585 1014 HE2 TYR 129 HE2 TYR 129 12.508 25.742 12.077 1015 HH TYR 129 HH TYR 129 15.204 25.737 9.870 1016 H ASN 130 H ASN 130 15.791 27.423 16.839 1017 HA ASN 130 HA ASN 130 12.909 28.042 16.983 1018 HB2 ASN 130 HB2 ASN 130 14.263 28.746 18.966 1019 HB3 ASN 130 HB3 ASN 130 15.215 29.780 17.906 1020 HD21 ASN 130 HD21 ASN 130 14.430 31.727 17.312 1021 HD22 ASN 130 HD22 ASN 130 12.909 32.372 17.852 1022 H GLU 131 H GLU 131 12.102 28.819 15.174 1023 HA GLU 131 HA GLU 131 13.725 28.909 12.889 1024 HB2 GLU 131 HB2 GLU 131 11.449 29.877 11.897 1025 HB3 GLU 131 HB3 GLU 131 11.676 28.181 12.280 1026 HG2 GLU 131 HG2 GLU 131 9.527 28.936 13.059 1027 HG3 GLU 131 HG3 GLU 131 10.546 28.521 14.431 1028 H LYS 132 H LYS 132 12.231 31.552 14.720 1029 HA LYS 132 HA LYS 132 12.684 33.567 12.802 1030 HB2 LYS 132 HB2 LYS 132 11.237 33.657 14.931 1031 HB3 LYS 132 HB3 LYS 132 12.722 34.038 15.781 1032 HG2 LYS 132 HG2 LYS 132 11.733 35.669 13.461 1033 HG3 LYS 132 HG3 LYS 132 11.259 35.990 15.129 1034 HD2 LYS 132 HD2 LYS 132 13.521 36.443 15.756 1035 HD3 LYS 132 HD3 LYS 132 14.122 35.883 14.194 1036 HE2 LYS 132 HE2 LYS 132 14.136 38.296 14.260 1037 HE3 LYS 132 HE3 LYS 132 12.936 37.735 13.099 1038 HZ1 LYS 132 HZ1 LYS 132 11.207 38.138 14.738 1039 HZ2 LYS 132 HZ2 LYS 132 12.098 39.550 14.448 1040 HZ3 LYS 132 HZ3 LYS 132 12.362 38.662 15.865 1041 H THR 133 H THR 133 14.525 32.874 15.754 1042 HA THR 133 HA THR 133 16.560 34.749 15.054 1043 HB THR 133 HB THR 133 17.674 33.890 17.125 1044 HG1 THR 133 HG1 THR 133 16.587 32.329 18.334 1045 HG21 THR 133 HG21 THR 133 14.751 34.640 17.342 1046 HG22 THR 133 HG22 THR 133 16.115 35.757 17.249 1047 HG23 THR 133 HG23 THR 133 15.921 34.721 18.662 1048 H GLY 134 H GLY 134 16.123 31.306 14.721 1049 HA2 GLY 134 HA2 GLY 134 17.309 29.872 13.332 1050 HA3 GLY 134 HA3 GLY 134 18.463 31.166 13.028 1051 H VAL 135 H VAL 135 17.446 29.816 16.135 1052 HA VAL 135 HA VAL 135 20.252 29.111 16.593 1053 HB VAL 135 HB VAL 135 19.497 30.773 18.153 1054 HG11 VAL 135 HG11 VAL 135 17.701 30.341 19.752 1055 HG12 VAL 135 HG12 VAL 135 17.358 28.813 18.943 1056 HG13 VAL 135 HG13 VAL 135 17.110 30.336 18.091 1057 HG21 VAL 135 HG21 VAL 135 19.973 29.632 20.273 1058 HG22 VAL 135 HG22 VAL 135 21.088 29.156 18.992 1059 HG23 VAL 135 HG23 VAL 135 19.773 28.078 19.464 1060 H TRP 136 H TRP 136 20.834 27.146 17.024 1061 HA TRP 136 HA TRP 136 18.945 25.167 17.983 1062 HB2 TRP 136 HB2 TRP 136 19.926 23.539 16.184 1063 HB3 TRP 136 HB3 TRP 136 18.596 24.607 15.757 1064 HD1 TRP 136 HD1 TRP 136 22.406 24.259 15.248 1065 HE1 TRP 136 HE1 TRP 136 23.061 25.537 13.109 1066 HE3 TRP 136 HE3 TRP 136 17.886 26.394 14.178 1067 HZ2 TRP 136 HZ2 TRP 136 21.810 27.217 11.215 1068 HZ3 TRP 136 HZ3 TRP 136 17.701 27.821 12.184 1069 HH2 TRP 136 HH2 TRP 136 19.622 28.223 10.736 1070 H GLU 137 H GLU 137 20.114 25.196 19.867 1071 HA GLU 137 HA GLU 137 22.928 25.241 20.001 1072 HB2 GLU 137 HB2 GLU 137 20.983 24.351 22.132 1073 HB3 GLU 137 HB3 GLU 137 22.652 24.838 22.385 1074 HG2 GLU 137 HG2 GLU 137 22.089 27.095 21.586 1075 HG3 GLU 137 HG3 GLU 137 20.405 26.591 21.425 1076 H LYS 138 H LYS 138 20.757 22.598 21.054 1077 HA LYS 138 HA LYS 138 23.029 20.836 21.123 1078 HB2 LYS 138 HB2 LYS 138 20.118 20.196 21.609 1079 HB3 LYS 138 HB3 LYS 138 21.491 19.170 22.006 1080 HG2 LYS 138 HG2 LYS 138 22.259 21.257 23.390 1081 HG3 LYS 138 HG3 LYS 138 20.545 21.666 23.323 1082 HD2 LYS 138 HD2 LYS 138 20.971 20.436 25.339 1083 HD3 LYS 138 HD3 LYS 138 20.032 19.417 24.244 1084 HE2 LYS 138 HE2 LYS 138 21.881 18.201 25.355 1085 HE3 LYS 138 HE3 LYS 138 22.014 18.208 23.597 1086 HZ1 LYS 138 HZ1 LYS 138 23.649 19.964 23.740 1087 HZ2 LYS 138 HZ2 LYS 138 24.145 18.651 24.683 1088 HZ3 LYS 138 HZ3 LYS 138 23.494 20.031 25.426 1089 H ARG 139 H ARG 139 23.774 20.497 19.121 1090 HA ARG 139 HA ARG 139 22.072 19.555 16.990 1091 HB2 ARG 139 HB2 ARG 139 25.091 19.516 17.178 1092 HB3 ARG 139 HB3 ARG 139 24.129 19.331 15.720 1093 HG2 ARG 139 HG2 ARG 139 24.169 21.822 17.406 1094 HG3 ARG 139 HG3 ARG 139 25.182 21.565 15.986 1095 HD2 ARG 139 HD2 ARG 139 22.172 21.663 16.082 1096 HD3 ARG 139 HD3 ARG 139 23.248 22.858 15.365 1097 HE ARG 139 HE ARG 139 22.238 20.561 14.101 1098 HH11 ARG 139 HH11 ARG 139 25.278 22.294 14.406 1099 HH12 ARG 139 HH12 ARG 139 25.860 21.800 12.855 1100 HH21 ARG 139 HH21 ARG 139 22.977 19.903 12.079 1101 HH22 ARG 139 HH22 ARG 139 24.539 20.436 11.502 1102 H LYS 140 H LYS 140 21.213 17.586 17.265 1103 HA LYS 140 HA LYS 140 22.672 15.632 18.861 1104 HB2 LYS 140 HB2 LYS 140 19.867 16.257 18.340 1105 HB3 LYS 140 HB3 LYS 140 20.229 14.537 18.368 1106 HG2 LYS 140 HG2 LYS 140 21.094 16.401 20.542 1107 HG3 LYS 140 HG3 LYS 140 19.530 15.577 20.547 1108 HD2 LYS 140 HD2 LYS 140 20.720 13.420 20.346 1109 HD3 LYS 140 HD3 LYS 140 22.253 14.286 20.471 1110 HE2 LYS 140 HE2 LYS 140 21.316 13.269 22.624 1111 HE3 LYS 140 HE3 LYS 140 21.823 14.957 22.685 1112 HZ1 LYS 140 HZ1 LYS 140 19.015 14.044 22.303 1113 HZ2 LYS 140 HZ2 LYS 140 19.532 15.653 22.456 1114 HZ3 LYS 140 HZ3 LYS 140 19.672 14.585 23.765 1115 H ILE 141 H ILE 141 23.637 13.932 18.002 1116 HA ILE 141 HA ILE 141 22.560 12.884 15.536 1117 HB ILE 141 HB ILE 141 24.665 13.658 14.945 1118 HG12 ILE 141 HG12 ILE 141 26.139 11.626 14.865 1119 HG13 ILE 141 HG13 ILE 141 24.900 10.790 15.782 1120 HG21 ILE 141 HG21 ILE 141 25.458 14.295 17.136 1121 HG22 ILE 141 HG22 ILE 141 26.694 13.352 16.302 1122 HG23 ILE 141 HG23 ILE 141 25.712 12.601 17.561 1123 HD11 ILE 141 HD11 ILE 141 23.284 11.278 14.012 1124 HD12 ILE 141 HD12 ILE 141 24.646 10.318 13.429 1125 HD13 ILE 141 HD13 ILE 141 24.563 12.045 13.073 1126 H PHE 142 H PHE 142 21.692 10.974 15.718 1127 HA PHE 142 HA PHE 142 22.567 9.226 17.923 1128 HB2 PHE 142 HB2 PHE 142 19.912 9.133 16.469 1129 HB3 PHE 142 HB3 PHE 142 20.386 8.140 17.834 1130 HD1 PHE 142 HD1 PHE 142 20.560 9.115 20.071 1131 HD2 PHE 142 HD2 PHE 142 19.127 11.362 16.759 1132 HE1 PHE 142 HE1 PHE 142 19.601 10.768 21.615 1133 HE2 PHE 142 HE2 PHE 142 18.163 13.022 18.297 1134 HZ PHE 142 HZ PHE 142 18.399 12.724 20.729 1135 H VAL 143 H VAL 143 23.972 7.803 17.147 1136 HA VAL 143 HA VAL 143 23.636 6.788 14.432 1137 HB VAL 143 HB VAL 143 25.879 6.370 16.412 1138 HG11 VAL 143 HG11 VAL 143 25.614 5.480 13.543 1139 HG12 VAL 143 HG12 VAL 143 25.673 4.439 14.967 1140 HG13 VAL 143 HG13 VAL 143 27.091 5.383 14.504 1141 HG21 VAL 143 HG21 VAL 143 27.172 7.789 14.881 1142 HG22 VAL 143 HG22 VAL 143 25.787 8.645 15.557 1143 HG23 VAL 143 HG23 VAL 143 25.725 8.037 13.902 1144 H ALA 144 H ALA 144 22.120 5.271 14.378 1145 HA ALA 144 HA ALA 144 22.208 3.161 16.417 1146 HB1 ALA 144 HB1 ALA 144 19.921 2.628 15.793 1147 HB2 ALA 144 HB2 ALA 144 19.955 3.872 14.544 1148 HB3 ALA 144 HB3 ALA 144 20.062 4.325 16.246 1149 H THR 145 H THR 145 23.604 1.706 15.688 1150 HA THR 145 HA THR 145 23.723 0.955 12.899 1151 HB THR 145 HB THR 145 25.169 -0.445 15.141 1152 HG1 THR 145 HG1 THR 145 26.128 1.886 13.795 1153 HG21 THR 145 HG21 THR 145 25.339 -1.395 12.873 1154 HG22 THR 145 HG22 THR 145 26.890 -0.769 13.436 1155 HG23 THR 145 HG23 THR 145 25.933 0.154 12.277 1156 H GLU 146 H GLU 146 23.138 -1.083 12.053 1157 HA GLU 146 HA GLU 146 20.747 -2.090 13.119 1158 HB2 GLU 146 HB2 GLU 146 21.210 -2.228 10.731 1159 HB3 GLU 146 HB3 GLU 146 22.542 -3.340 11.029 1160 HG2 GLU 146 HG2 GLU 146 20.973 -4.980 11.934 1161 HG3 GLU 146 HG3 GLU 146 19.641 -3.866 11.650 1162 H VAL 147 H VAL 147 20.272 -3.589 14.504 1163 HA VAL 147 HA VAL 147 22.430 -5.253 15.562 1164 HB VAL 147 HB VAL 147 21.426 -4.023 17.278 1165 HG11 VAL 147 HG11 VAL 147 18.778 -5.021 16.307 1166 HG12 VAL 147 HG12 VAL 147 19.390 -3.373 16.203 1167 HG13 VAL 147 HG13 VAL 147 19.021 -4.077 17.778 1168 HG21 VAL 147 HG21 VAL 147 20.518 -5.677 18.802 1169 HG22 VAL 147 HG22 VAL 147 21.920 -6.292 17.928 1170 HG23 VAL 147 HG23 VAL 147 20.296 -6.791 17.453 1171 H LYS 148 H LYS 148 21.781 -7.406 16.254 1172 HA LYS 148 HA LYS 148 20.920 -8.714 13.817 1173 HB2 LYS 148 HB2 LYS 148 22.018 -9.971 16.331 1174 HB3 LYS 148 HB3 LYS 148 21.959 -10.687 14.724 1175 HG2 LYS 148 HG2 LYS 148 23.631 -9.235 13.911 1176 HG3 LYS 148 HG3 LYS 148 23.517 -8.192 15.330 1177 HD2 LYS 148 HD2 LYS 148 24.314 -10.107 16.712 1178 HD3 LYS 148 HD3 LYS 148 24.571 -11.015 15.219 1179 HE2 LYS 148 HE2 LYS 148 26.215 -9.446 14.473 1180 HE3 LYS 148 HE3 LYS 148 25.837 -8.340 15.795 1181 HZ1 LYS 148 HZ1 LYS 148 27.844 -9.543 16.276 1182 HZ2 LYS 148 HZ2 LYS 148 27.063 -11.033 16.053 1183 HZ3 LYS 148 HZ3 LYS 148 26.628 -10.034 17.352 1184 H6 2W7 201 H6 2W7 201 17.953 21.987 12.893 1185 H7 2W7 201 H7 2W7 201 18.392 24.211 11.899 1186 H8 2W7 201 H8 2W7 201 20.303 24.535 10.359 1187 H9 2W7 201 H9 2W7 201 21.785 22.629 9.807 1188 H3 2W7 201 H3 2W7 201 21.882 20.991 8.831 1189 H122 2W7 201 H122 2W7 201 21.982 18.184 8.807 1190 H121 2W7 201 H121 2W7 201 22.910 19.283 7.771 1191 H4 2W7 201 H4 2W7 201 23.653 16.720 9.093 1192 HZ12 2W7 201 HZ12 2W7 201 25.582 15.139 8.972 1193 HZ11 2W7 201 HZ11 2W7 201 24.666 14.909 10.473 1194 HY1 2W7 201 HY1 2W7 201 26.851 13.774 10.580 1195 HX22 2W7 201 HX22 2W7 201 28.909 15.103 10.569 1196 HX21 2W7 201 HX21 2W7 201 28.041 15.259 9.024 1197 HY3 2W7 201 HY3 2W7 201 28.811 17.486 9.844 1198 HZ21 2W7 201 HZ21 2W7 201 26.724 17.320 8.540 1199 HZ22 2W7 201 HZ22 2W7 201 26.633 18.623 9.740 1200 HX31 2W7 201 HX31 2W7 201 28.776 16.968 12.254 1201 HX32 2W7 201 HX32 2W7 201 27.818 18.417 11.904 1202 HY2 2W7 201 HY2 2W7 201 26.610 16.916 13.451 1203 HZ32 2W7 201 HZ32 2W7 201 25.327 18.283 11.850 1204 HZ31 2W7 201 HZ31 2W7 201 24.522 16.730 12.153 1205 HX12 2W7 201 HX12 2W7 201 27.641 14.813 12.692 1206 HX11 2W7 201 HX11 2W7 201 25.871 14.704 12.648 Start of MODEL 19 1 HA MET 1 HA MET 1 1.365 1.727 -1.934 2 HB2 MET 1 HB2 MET 1 3.355 0.725 -0.876 3 HB3 MET 1 HB3 MET 1 2.471 1.775 0.222 4 HG2 MET 1 HG2 MET 1 1.466 -0.185 1.285 5 HG3 MET 1 HG3 MET 1 2.363 -1.233 0.186 6 HE1 MET 1 HE1 MET 1 4.411 1.506 3.291 7 HE2 MET 1 HE2 MET 1 2.660 1.412 3.098 8 HE3 MET 1 HE3 MET 1 3.654 2.100 1.813 9 H GLN 2 H GLN 2 2.283 0.564 -3.592 10 HA GLN 2 HA GLN 2 1.171 -2.127 -3.948 11 HB2 GLN 2 HB2 GLN 2 2.300 -0.197 -5.980 12 HB3 GLN 2 HB3 GLN 2 1.679 -1.799 -6.355 13 HG2 GLN 2 HG2 GLN 2 0.081 0.458 -5.164 14 HG3 GLN 2 HG3 GLN 2 0.070 -0.028 -6.859 15 HE21 GLN 2 HE21 GLN 2 -0.932 -1.944 -7.456 16 HE22 GLN 2 HE22 GLN 2 -2.040 -2.760 -6.403 17 H ALA 3 H ALA 3 4.008 -0.511 -3.270 18 HA ALA 3 HA ALA 3 5.554 -2.918 -3.249 19 HB1 ALA 3 HB1 ALA 3 6.319 -0.749 -5.209 20 HB2 ALA 3 HB2 ALA 3 5.790 -2.385 -5.611 21 HB3 ALA 3 HB3 ALA 3 7.323 -2.132 -4.774 22 H LYS 4 H LYS 4 7.906 -2.336 -2.627 23 HA LYS 4 HA LYS 4 7.837 -0.548 -0.393 24 HB2 LYS 4 HB2 LYS 4 10.269 -1.148 -0.198 25 HB3 LYS 4 HB3 LYS 4 9.172 -2.521 -0.184 26 HG2 LYS 4 HG2 LYS 4 9.674 -2.920 -2.560 27 HG3 LYS 4 HG3 LYS 4 10.816 -1.575 -2.524 28 HD2 LYS 4 HD2 LYS 4 10.990 -4.036 -0.791 29 HD3 LYS 4 HD3 LYS 4 11.900 -3.784 -2.281 30 HE2 LYS 4 HE2 LYS 4 12.965 -1.817 -1.300 31 HE3 LYS 4 HE3 LYS 4 12.044 -2.058 0.185 32 HZ1 LYS 4 HZ1 LYS 4 13.938 -4.046 -0.934 33 HZ2 LYS 4 HZ2 LYS 4 13.164 -4.108 0.576 34 HZ3 LYS 4 HZ3 LYS 4 14.342 -2.931 0.274 35 HA PRO 5 HA PRO 5 8.935 2.950 -2.915 36 HB2 PRO 5 HB2 PRO 5 8.560 4.839 -1.035 37 HB3 PRO 5 HB3 PRO 5 7.216 4.030 -1.845 38 HG2 PRO 5 HG2 PRO 5 8.324 3.595 0.882 39 HG3 PRO 5 HG3 PRO 5 6.647 3.498 0.321 40 HD2 PRO 5 HD2 PRO 5 8.325 1.327 0.759 41 HD3 PRO 5 HD3 PRO 5 6.854 1.304 -0.228 42 H GLN 6 H GLN 6 11.007 3.132 -3.408 43 HA GLN 6 HA GLN 6 12.958 3.692 -1.310 44 HB2 GLN 6 HB2 GLN 6 13.703 2.008 -2.821 45 HB3 GLN 6 HB3 GLN 6 13.230 2.951 -4.220 46 HG2 GLN 6 HG2 GLN 6 15.691 2.781 -3.800 47 HG3 GLN 6 HG3 GLN 6 15.065 4.416 -3.981 48 HE21 GLN 6 HE21 GLN 6 15.224 5.827 -2.311 49 HE22 GLN 6 HE22 GLN 6 16.068 5.489 -0.842 50 H ILE 7 H ILE 7 12.378 5.705 -0.756 51 HA ILE 7 HA ILE 7 11.856 7.953 -0.974 52 HB ILE 7 HB ILE 7 14.750 7.632 -1.693 53 HG12 ILE 7 HG12 ILE 7 13.387 8.078 0.971 54 HG13 ILE 7 HG13 ILE 7 14.055 6.546 0.416 55 HG21 ILE 7 HG21 ILE 7 14.006 9.898 -2.228 56 HG22 ILE 7 HG22 ILE 7 15.062 9.909 -0.817 57 HG23 ILE 7 HG23 ILE 7 13.317 10.061 -0.612 58 HD11 ILE 7 HD11 ILE 7 15.546 7.634 1.975 59 HD12 ILE 7 HD12 ILE 7 15.607 9.068 0.947 60 HD13 ILE 7 HD13 ILE 7 16.281 7.539 0.376 61 HA PRO 8 HA PRO 8 11.131 8.534 -5.439 62 HB2 PRO 8 HB2 PRO 8 8.695 9.644 -5.200 63 HB3 PRO 8 HB3 PRO 8 8.940 7.898 -5.073 64 HG2 PRO 8 HG2 PRO 8 8.578 9.925 -2.903 65 HG3 PRO 8 HG3 PRO 8 7.890 8.297 -3.042 66 HD2 PRO 8 HD2 PRO 8 10.080 8.911 -1.508 67 HD3 PRO 8 HD3 PRO 8 9.767 7.303 -2.189 68 H LYS 9 H LYS 9 10.218 10.630 -6.571 69 HA LYS 9 HA LYS 9 11.985 12.727 -5.840 70 HB2 LYS 9 HB2 LYS 9 11.558 12.155 -8.175 71 HB3 LYS 9 HB3 LYS 9 9.863 12.561 -7.965 72 HG2 LYS 9 HG2 LYS 9 10.517 14.866 -7.438 73 HG3 LYS 9 HG3 LYS 9 12.189 14.434 -7.778 74 HD2 LYS 9 HD2 LYS 9 11.299 15.484 -9.733 75 HD3 LYS 9 HD3 LYS 9 11.467 13.761 -10.075 76 HE2 LYS 9 HE2 LYS 9 9.349 14.593 -10.926 77 HE3 LYS 9 HE3 LYS 9 9.077 13.446 -9.616 78 HZ1 LYS 9 HZ1 LYS 9 8.661 15.260 -8.119 79 HZ2 LYS 9 HZ2 LYS 9 7.655 15.431 -9.468 80 HZ3 LYS 9 HZ3 LYS 9 9.039 16.404 -9.307 81 H ASP 10 H ASP 10 8.478 12.280 -5.883 82 HA ASP 10 HA ASP 10 8.003 14.941 -4.872 83 HB2 ASP 10 HB2 ASP 10 6.401 13.630 -6.377 84 HB3 ASP 10 HB3 ASP 10 5.980 12.704 -4.937 85 H LYS 11 H LYS 11 7.314 15.491 -2.803 86 HA LYS 11 HA LYS 11 8.296 13.567 -0.817 87 HB2 LYS 11 HB2 LYS 11 8.293 16.586 -0.712 88 HB3 LYS 11 HB3 LYS 11 9.051 15.497 0.443 89 HG2 LYS 11 HG2 LYS 11 10.654 14.777 -1.138 90 HG3 LYS 11 HG3 LYS 11 9.786 15.548 -2.464 91 HD2 LYS 11 HD2 LYS 11 10.229 17.748 -1.311 92 HD3 LYS 11 HD3 LYS 11 11.325 16.866 -0.240 93 HE2 LYS 11 HE2 LYS 11 12.482 17.929 -2.154 94 HE3 LYS 11 HE3 LYS 11 12.674 16.178 -2.110 95 HZ1 LYS 11 HZ1 LYS 11 10.680 17.599 -3.793 96 HZ2 LYS 11 HZ2 LYS 11 11.035 15.941 -3.824 97 HZ3 LYS 11 HZ3 LYS 11 12.190 17.062 -4.352 98 H SER 12 H SER 12 5.447 14.238 -1.870 99 HA SER 12 HA SER 12 4.158 14.874 0.662 100 HB2 SER 12 HB2 SER 12 3.005 14.212 -2.058 101 HB3 SER 12 HB3 SER 12 2.056 14.680 -0.648 102 HG SER 12 HG SER 12 4.088 16.423 -1.137 103 H LYS 13 H LYS 13 5.214 12.158 -1.090 104 HA LYS 13 HA LYS 13 3.404 10.308 0.240 105 HB2 LYS 13 HB2 LYS 13 5.630 9.937 -1.763 106 HB3 LYS 13 HB3 LYS 13 4.780 8.590 -1.019 107 HG2 LYS 13 HG2 LYS 13 3.393 10.749 -2.583 108 HG3 LYS 13 HG3 LYS 13 3.992 9.255 -3.302 109 HD2 LYS 13 HD2 LYS 13 2.605 8.016 -1.596 110 HD3 LYS 13 HD3 LYS 13 1.873 9.569 -1.185 111 HE2 LYS 13 HE2 LYS 13 1.064 9.829 -3.450 112 HE3 LYS 13 HE3 LYS 13 1.883 8.348 -3.943 113 HZ1 LYS 13 HZ1 LYS 13 -0.376 7.814 -3.609 114 HZ2 LYS 13 HZ2 LYS 13 -0.436 8.612 -2.112 115 HZ3 LYS 13 HZ3 LYS 13 0.449 7.175 -2.270 116 H VAL 14 H VAL 14 4.165 8.630 1.618 117 HA VAL 14 HA VAL 14 6.619 9.275 3.048 118 HB VAL 14 HB VAL 14 4.670 9.002 4.445 119 HG11 VAL 14 HG11 VAL 14 3.318 7.584 3.023 120 HG12 VAL 14 HG12 VAL 14 3.484 6.874 4.629 121 HG13 VAL 14 HG13 VAL 14 4.428 6.238 3.280 122 HG21 VAL 14 HG21 VAL 14 6.567 6.679 4.674 123 HG22 VAL 14 HG22 VAL 14 5.473 7.223 5.945 124 HG23 VAL 14 HG23 VAL 14 6.768 8.282 5.382 125 H ALA 15 H ALA 15 8.346 7.975 3.082 126 HA ALA 15 HA ALA 15 8.303 5.720 1.203 127 HB1 ALA 15 HB1 ALA 15 9.859 7.537 0.681 128 HB2 ALA 15 HB2 ALA 15 10.702 6.022 1.001 129 HB3 ALA 15 HB3 ALA 15 10.664 7.286 2.230 130 H GLY 16 H GLY 16 8.666 6.469 4.548 131 HA2 GLY 16 HA2 GLY 16 9.056 3.670 5.147 132 HA3 GLY 16 HA3 GLY 16 10.452 4.667 5.522 133 H TYR 17 H TYR 17 9.488 3.372 7.563 134 HA TYR 17 HA TYR 17 8.036 5.418 9.110 135 HB2 TYR 17 HB2 TYR 17 7.357 2.610 8.707 136 HB3 TYR 17 HB3 TYR 17 7.539 3.003 10.411 137 HD1 TYR 17 HD1 TYR 17 5.604 3.681 7.364 138 HD2 TYR 17 HD2 TYR 17 6.014 4.489 11.516 139 HE1 TYR 17 HE1 TYR 17 3.352 4.669 7.388 140 HE2 TYR 17 HE2 TYR 17 3.771 5.483 11.558 141 HH TYR 17 HH TYR 17 1.537 5.077 9.065 142 H ILE 18 H ILE 18 8.855 5.915 11.090 143 HA ILE 18 HA ILE 18 11.248 4.425 11.939 144 HB ILE 18 HB ILE 18 11.754 6.745 11.444 145 HG12 ILE 18 HG12 ILE 18 12.657 7.448 13.666 146 HG13 ILE 18 HG13 ILE 18 11.730 6.149 14.408 147 HG21 ILE 18 HG21 ILE 18 9.663 7.467 13.497 148 HG22 ILE 18 HG22 ILE 18 9.549 7.729 11.758 149 HG23 ILE 18 HG23 ILE 18 10.758 8.600 12.702 150 HD11 ILE 18 HD11 ILE 18 14.049 5.514 14.104 151 HD12 ILE 18 HD12 ILE 18 13.921 5.820 12.373 152 HD13 ILE 18 HD13 ILE 18 12.991 4.513 13.107 153 H GLU 19 H GLU 19 11.186 3.360 13.818 154 HA GLU 19 HA GLU 19 9.003 3.937 15.699 155 HB2 GLU 19 HB2 GLU 19 9.732 1.180 14.707 156 HB3 GLU 19 HB3 GLU 19 8.513 1.555 15.914 157 HG2 GLU 19 HG2 GLU 19 7.157 2.666 14.276 158 HG3 GLU 19 HG3 GLU 19 8.417 2.484 13.056 159 H ILE 20 H ILE 20 9.814 4.253 17.628 160 HA ILE 20 HA ILE 20 11.926 2.435 18.583 161 HB ILE 20 HB ILE 20 11.664 5.356 19.353 162 HG12 ILE 20 HG12 ILE 20 13.835 3.998 17.737 163 HG13 ILE 20 HG13 ILE 20 12.546 4.975 17.045 164 HG21 ILE 20 HG21 ILE 20 13.771 4.987 20.561 165 HG22 ILE 20 HG22 ILE 20 13.714 3.278 20.128 166 HG23 ILE 20 HG23 ILE 20 12.475 3.963 21.180 167 HD11 ILE 20 HD11 ILE 20 14.615 6.225 17.230 168 HD12 ILE 20 HD12 ILE 20 14.644 5.942 18.971 169 HD13 ILE 20 HD13 ILE 20 13.360 6.918 18.256 170 HA PRO 21 HA PRO 21 8.139 1.696 20.997 171 HB2 PRO 21 HB2 PRO 21 9.193 -0.534 22.249 172 HB3 PRO 21 HB3 PRO 21 8.335 -0.551 20.705 173 HG2 PRO 21 HG2 PRO 21 11.279 -0.552 21.238 174 HG3 PRO 21 HG3 PRO 21 10.357 -1.449 20.017 175 HD2 PRO 21 HD2 PRO 21 11.752 0.745 19.375 176 HD3 PRO 21 HD3 PRO 21 10.186 0.392 18.615 177 H ASP 22 H ASP 22 11.441 1.752 22.202 178 HA ASP 22 HA ASP 22 10.773 1.893 24.954 179 HB2 ASP 22 HB2 ASP 22 13.303 2.706 23.508 180 HB3 ASP 22 HB3 ASP 22 13.141 2.597 25.258 181 H ALA 23 H ALA 23 10.618 4.181 22.450 182 HA ALA 23 HA ALA 23 10.387 6.348 24.427 183 HB1 ALA 23 HB1 ALA 23 12.389 6.660 23.071 184 HB2 ALA 23 HB2 ALA 23 11.195 7.920 22.757 185 HB3 ALA 23 HB3 ALA 23 11.411 6.603 21.603 186 H ASP 24 H ASP 24 8.602 4.400 22.619 187 HA ASP 24 HA ASP 24 6.538 4.419 21.678 188 HB2 ASP 24 HB2 ASP 24 6.396 6.953 23.295 189 HB3 ASP 24 HB3 ASP 24 5.047 6.424 22.295 190 H ILE 25 H ILE 25 8.814 5.629 20.244 191 HA ILE 25 HA ILE 25 7.616 7.771 18.692 192 HB ILE 25 HB ILE 25 10.300 6.400 18.430 193 HG12 ILE 25 HG12 ILE 25 9.511 9.098 19.557 194 HG13 ILE 25 HG13 ILE 25 10.082 7.716 20.485 195 HG21 ILE 25 HG21 ILE 25 9.619 7.240 16.272 196 HG22 ILE 25 HG22 ILE 25 10.886 8.275 16.931 197 HG23 ILE 25 HG23 ILE 25 9.203 8.804 16.974 198 HD11 ILE 25 HD11 ILE 25 11.826 9.378 20.196 199 HD12 ILE 25 HD12 ILE 25 11.677 9.245 18.443 200 HD13 ILE 25 HD13 ILE 25 12.247 7.868 19.387 201 H LYS 26 H LYS 26 6.377 7.381 16.998 202 HA LYS 26 HA LYS 26 7.001 5.273 15.135 203 HB2 LYS 26 HB2 LYS 26 5.630 4.120 16.876 204 HB3 LYS 26 HB3 LYS 26 4.324 5.249 16.549 205 HG2 LYS 26 HG2 LYS 26 4.341 4.424 14.175 206 HG3 LYS 26 HG3 LYS 26 5.460 3.165 14.703 207 HD2 LYS 26 HD2 LYS 26 2.702 3.631 15.837 208 HD3 LYS 26 HD3 LYS 26 3.117 2.392 14.653 209 HE2 LYS 26 HE2 LYS 26 4.411 2.596 17.363 210 HE3 LYS 26 HE3 LYS 26 2.976 1.622 17.052 211 HZ1 LYS 26 HZ1 LYS 26 5.003 0.303 16.951 212 HZ2 LYS 26 HZ2 LYS 26 5.607 1.282 15.709 213 HZ3 LYS 26 HZ3 LYS 26 4.231 0.337 15.443 214 H GLU 27 H GLU 27 7.138 6.723 13.489 215 HA GLU 27 HA GLU 27 4.661 7.897 12.582 216 HB2 GLU 27 HB2 GLU 27 5.567 10.166 12.374 217 HB3 GLU 27 HB3 GLU 27 5.470 9.652 14.048 218 HG2 GLU 27 HG2 GLU 27 7.870 9.213 14.051 219 HG3 GLU 27 HG3 GLU 27 7.963 9.735 12.368 220 HA PRO 28 HA PRO 28 6.483 7.077 8.664 221 HB2 PRO 28 HB2 PRO 28 5.224 8.886 7.089 222 HB3 PRO 28 HB3 PRO 28 4.410 7.469 7.759 223 HG2 PRO 28 HG2 PRO 28 4.334 10.306 8.661 224 HG3 PRO 28 HG3 PRO 28 3.028 9.112 8.598 225 HD2 PRO 28 HD2 PRO 28 4.381 9.785 10.886 226 HD3 PRO 28 HD3 PRO 28 3.582 8.223 10.630 227 H VAL 29 H VAL 29 8.015 7.844 7.135 228 HA VAL 29 HA VAL 29 9.355 10.322 7.990 229 HB VAL 29 HB VAL 29 10.575 7.925 6.605 230 HG11 VAL 29 HG11 VAL 29 11.857 10.428 7.693 231 HG12 VAL 29 HG12 VAL 29 11.697 9.986 5.992 232 HG13 VAL 29 HG13 VAL 29 12.721 9.028 7.062 233 HG21 VAL 29 HG21 VAL 29 11.731 7.524 8.721 234 HG22 VAL 29 HG22 VAL 29 9.980 7.422 8.909 235 HG23 VAL 29 HG23 VAL 29 10.841 8.860 9.454 236 H TYR 30 H TYR 30 9.710 11.870 6.522 237 HA TYR 30 HA TYR 30 8.376 11.489 3.955 238 HB2 TYR 30 HB2 TYR 30 9.344 14.037 5.260 239 HB3 TYR 30 HB3 TYR 30 8.362 13.926 3.802 240 HD1 TYR 30 HD1 TYR 30 6.488 11.730 4.738 241 HD2 TYR 30 HD2 TYR 30 7.880 15.267 6.646 242 HE1 TYR 30 HE1 TYR 30 4.446 11.786 6.105 243 HE2 TYR 30 HE2 TYR 30 5.845 15.332 8.021 244 HH TYR 30 HH TYR 30 3.746 12.752 8.347 245 HA PRO 31 HA PRO 31 12.418 10.932 2.072 246 HB2 PRO 31 HB2 PRO 31 11.289 10.910 -0.471 247 HB3 PRO 31 HB3 PRO 31 11.543 9.490 0.545 248 HG2 PRO 31 HG2 PRO 31 9.069 11.095 0.114 249 HG3 PRO 31 HG3 PRO 31 9.252 9.343 0.320 250 HD2 PRO 31 HD2 PRO 31 8.362 10.912 2.312 251 HD3 PRO 31 HD3 PRO 31 9.400 9.506 2.636 252 H GLY 32 H GLY 32 13.781 12.507 1.524 253 HA2 GLY 32 HA2 GLY 32 13.859 14.362 -0.316 254 HA3 GLY 32 HA3 GLY 32 12.673 15.102 0.754 255 HA PRO 33 HA PRO 33 17.019 16.044 2.245 256 HB2 PRO 33 HB2 PRO 33 17.361 18.551 1.383 257 HB3 PRO 33 HB3 PRO 33 17.650 17.168 0.316 258 HG2 PRO 33 HG2 PRO 33 15.280 18.990 0.461 259 HG3 PRO 33 HG3 PRO 33 16.102 18.333 -0.966 260 HD2 PRO 33 HD2 PRO 33 13.780 17.306 0.116 261 HD3 PRO 33 HD3 PRO 33 14.913 16.388 -0.895 262 H ALA 34 H ALA 34 17.673 17.761 3.785 263 HA ALA 34 HA ALA 34 15.564 18.311 5.625 264 HB1 ALA 34 HB1 ALA 34 18.428 19.248 5.651 265 HB2 ALA 34 HB2 ALA 34 17.818 17.769 6.391 266 HB3 ALA 34 HB3 ALA 34 17.295 19.339 6.998 267 H THR 35 H THR 35 14.268 19.984 5.633 268 HA THR 35 HA THR 35 15.139 22.628 4.978 269 HB THR 35 HB THR 35 14.823 21.974 2.724 270 HG1 THR 35 HG1 THR 35 12.259 23.027 3.003 271 HG21 THR 35 HG21 THR 35 13.634 19.888 3.132 272 HG22 THR 35 HG22 THR 35 12.832 20.848 1.884 273 HG23 THR 35 HG23 THR 35 12.167 20.791 3.518 274 HA PRO 36 HA PRO 36 12.497 23.887 8.172 275 HB2 PRO 36 HB2 PRO 36 11.372 25.743 6.107 276 HB3 PRO 36 HB3 PRO 36 11.833 26.078 7.782 277 HG2 PRO 36 HG2 PRO 36 13.460 26.706 5.764 278 HG3 PRO 36 HG3 PRO 36 14.096 26.084 7.297 279 HD2 PRO 36 HD2 PRO 36 13.932 24.769 4.657 280 HD3 PRO 36 HD3 PRO 36 15.015 24.436 6.020 281 H GLU 37 H GLU 37 10.431 24.230 5.246 282 HA GLU 37 HA GLU 37 8.106 23.764 6.774 283 HB2 GLU 37 HB2 GLU 37 6.880 23.953 4.734 284 HB3 GLU 37 HB3 GLU 37 8.152 25.155 4.739 285 HG2 GLU 37 HG2 GLU 37 8.268 22.533 3.274 286 HG3 GLU 37 HG3 GLU 37 7.815 24.075 2.553 287 H GLN 38 H GLN 38 10.149 21.636 4.925 288 HA GLN 38 HA GLN 38 8.306 19.457 4.842 289 HB2 GLN 38 HB2 GLN 38 10.164 19.609 3.265 290 HB3 GLN 38 HB3 GLN 38 11.319 19.498 4.583 291 HG2 GLN 38 HG2 GLN 38 11.214 17.382 3.510 292 HG3 GLN 38 HG3 GLN 38 10.439 17.233 5.084 293 HE21 GLN 38 HE21 GLN 38 10.169 15.608 2.682 294 HE22 GLN 38 HE22 GLN 38 8.487 15.614 2.283 295 H LEU 39 H LEU 39 11.179 20.139 6.841 296 HA LEU 39 HA LEU 39 10.861 17.948 8.583 297 HB2 LEU 39 HB2 LEU 39 12.376 20.519 8.667 298 HB3 LEU 39 HB3 LEU 39 12.258 19.557 10.124 299 HG LEU 39 HG LEU 39 14.339 19.192 8.822 300 HD11 LEU 39 HD11 LEU 39 12.522 16.808 9.118 301 HD12 LEU 39 HD12 LEU 39 13.545 17.507 10.374 302 HD13 LEU 39 HD13 LEU 39 14.278 16.744 8.963 303 HD21 LEU 39 HD21 LEU 39 14.230 17.820 6.796 304 HD22 LEU 39 HD22 LEU 39 13.477 19.398 6.576 305 HD23 LEU 39 HD23 LEU 39 12.472 17.968 6.807 306 H ASN 40 H ASN 40 9.259 20.981 8.412 307 HA ASN 40 HA ASN 40 8.491 21.216 11.132 308 HB2 ASN 40 HB2 ASN 40 8.398 23.055 9.406 309 HB3 ASN 40 HB3 ASN 40 6.979 22.262 8.733 310 HD21 ASN 40 HD21 ASN 40 5.570 23.908 9.167 311 HD22 ASN 40 HD22 ASN 40 5.095 24.345 10.773 312 H ARG 41 H ARG 41 7.269 19.403 8.426 313 HA ARG 41 HA ARG 41 4.754 18.791 9.703 314 HB2 ARG 41 HB2 ARG 41 5.993 17.568 7.228 315 HB3 ARG 41 HB3 ARG 41 4.328 17.369 7.758 316 HG2 ARG 41 HG2 ARG 41 4.066 19.860 7.517 317 HG3 ARG 41 HG3 ARG 41 5.651 19.869 6.738 318 HD2 ARG 41 HD2 ARG 41 3.225 18.331 5.815 319 HD3 ARG 41 HD3 ARG 41 3.850 19.809 5.090 320 HE ARG 41 HE ARG 41 5.908 17.919 5.094 321 HH11 ARG 41 HH11 ARG 41 2.810 18.482 3.578 322 HH12 ARG 41 HH12 ARG 41 3.185 17.562 2.158 323 HH21 ARG 41 HH21 ARG 41 6.421 16.706 3.221 324 HH22 ARG 41 HH22 ARG 41 5.246 16.544 1.954 325 H GLY 42 H GLY 42 7.851 17.181 9.143 326 HA2 GLY 42 HA2 GLY 42 7.585 15.517 11.399 327 HA3 GLY 42 HA3 GLY 42 7.138 14.604 9.966 328 H VAL 43 H VAL 43 8.925 13.232 10.448 329 HA VAL 43 HA VAL 43 11.607 14.260 10.415 330 HB VAL 43 HB VAL 43 10.677 11.393 10.145 331 HG11 VAL 43 HG11 VAL 43 12.994 11.698 9.479 332 HG12 VAL 43 HG12 VAL 43 12.906 10.836 11.014 333 HG13 VAL 43 HG13 VAL 43 13.333 12.547 10.986 334 HG21 VAL 43 HG21 VAL 43 11.402 12.951 12.622 335 HG22 VAL 43 HG22 VAL 43 11.054 11.223 12.555 336 HG23 VAL 43 HG23 VAL 43 9.789 12.393 12.178 337 H SER 44 H SER 44 13.106 14.173 8.766 338 HA SER 44 HA SER 44 12.312 13.058 6.182 339 HB2 SER 44 HB2 SER 44 13.299 15.904 6.502 340 HB3 SER 44 HB3 SER 44 12.874 15.110 4.987 341 HG SER 44 HG SER 44 10.835 14.899 6.713 342 H PHE 45 H PHE 45 14.281 13.185 4.637 343 HA PHE 45 HA PHE 45 16.525 12.136 6.163 344 HB2 PHE 45 HB2 PHE 45 16.023 12.195 3.179 345 HB3 PHE 45 HB3 PHE 45 17.378 11.387 3.960 346 HD1 PHE 45 HD1 PHE 45 16.917 9.483 5.512 347 HD2 PHE 45 HD2 PHE 45 13.937 11.164 2.991 348 HE1 PHE 45 HE1 PHE 45 15.554 7.454 5.783 349 HE2 PHE 45 HE2 PHE 45 12.567 9.140 3.247 350 HZ PHE 45 HZ PHE 45 13.374 7.282 4.656 351 H ALA 46 H ALA 46 18.764 12.597 5.067 352 HA ALA 46 HA ALA 46 19.045 15.520 4.931 353 HB1 ALA 46 HB1 ALA 46 21.383 15.174 5.482 354 HB2 ALA 46 HB2 ALA 46 21.169 13.425 5.393 355 HB3 ALA 46 HB3 ALA 46 20.360 14.350 6.660 356 H GLU 47 H GLU 47 19.933 12.516 3.280 357 HA GLU 47 HA GLU 47 20.640 14.124 0.915 358 HB2 GLU 47 HB2 GLU 47 21.357 11.281 1.643 359 HB3 GLU 47 HB3 GLU 47 21.679 11.996 0.070 360 HG2 GLU 47 HG2 GLU 47 23.030 13.743 1.240 361 HG3 GLU 47 HG3 GLU 47 22.836 12.802 2.722 362 H GLU 48 H GLU 48 19.556 13.843 -0.983 363 HA GLU 48 HA GLU 48 17.082 12.352 -0.858 364 HB2 GLU 48 HB2 GLU 48 18.177 13.765 -3.284 365 HB3 GLU 48 HB3 GLU 48 16.501 13.393 -2.911 366 HG2 GLU 48 HG2 GLU 48 16.475 15.587 -2.385 367 HG3 GLU 48 HG3 GLU 48 17.035 14.968 -0.833 368 H ASN 49 H ASN 49 20.157 11.462 -1.390 369 HA ASN 49 HA ASN 49 19.466 9.556 -3.519 370 HB2 ASN 49 HB2 ASN 49 21.385 11.326 -3.779 371 HB3 ASN 49 HB3 ASN 49 22.299 10.204 -2.781 372 HD21 ASN 49 HD21 ASN 49 21.121 7.795 -3.874 373 HD22 ASN 49 HD22 ASN 49 21.733 7.636 -5.486 374 H GLU 50 H GLU 50 20.177 9.840 -0.204 375 HA GLU 50 HA GLU 50 21.540 7.401 0.204 376 HB2 GLU 50 HB2 GLU 50 20.814 7.571 2.545 377 HB3 GLU 50 HB3 GLU 50 21.477 9.086 1.957 378 HG2 GLU 50 HG2 GLU 50 19.211 9.959 1.669 379 HG3 GLU 50 HG3 GLU 50 18.558 8.440 2.280 380 H SER 51 H SER 51 20.827 5.341 0.371 381 HA SER 51 HA SER 51 18.113 4.944 -0.617 382 HB2 SER 51 HB2 SER 51 20.378 2.952 -0.407 383 HB3 SER 51 HB3 SER 51 18.863 2.738 -1.282 384 HG SER 51 HG SER 51 19.957 5.002 -2.121 385 H LEU 52 H LEU 52 16.551 4.320 0.669 386 HA LEU 52 HA LEU 52 17.004 3.854 3.435 387 HB2 LEU 52 HB2 LEU 52 14.489 3.441 3.436 388 HB3 LEU 52 HB3 LEU 52 15.050 5.029 2.954 389 HG LEU 52 HG LEU 52 14.711 4.382 0.574 390 HD11 LEU 52 HD11 LEU 52 13.276 2.442 0.088 391 HD12 LEU 52 HD12 LEU 52 13.414 1.940 1.776 392 HD13 LEU 52 HD13 LEU 52 14.844 1.970 0.744 393 HD21 LEU 52 HD21 LEU 52 12.262 4.543 0.666 394 HD22 LEU 52 HD22 LEU 52 13.056 5.678 1.762 395 HD23 LEU 52 HD23 LEU 52 12.322 4.205 2.397 396 H ASP 53 H ASP 53 17.285 1.849 0.855 397 HA ASP 53 HA ASP 53 16.580 -0.561 2.390 398 HB2 ASP 53 HB2 ASP 53 15.399 -0.293 0.233 399 HB3 ASP 53 HB3 ASP 53 16.947 -0.204 -0.595 400 H ASP 54 H ASP 54 19.124 1.330 1.931 401 HA ASP 54 HA ASP 54 21.020 -0.821 1.262 402 HB2 ASP 54 HB2 ASP 54 20.875 1.254 -0.224 403 HB3 ASP 54 HB3 ASP 54 21.572 2.146 1.122 404 H GLN 55 H GLN 55 23.274 0.797 2.193 405 HA GLN 55 HA GLN 55 23.183 -0.158 4.940 406 HB2 GLN 55 HB2 GLN 55 25.001 -0.931 3.570 407 HB3 GLN 55 HB3 GLN 55 25.416 0.710 3.105 408 HG2 GLN 55 HG2 GLN 55 26.102 1.196 5.385 409 HG3 GLN 55 HG3 GLN 55 25.664 -0.441 5.873 410 HE21 GLN 55 HE21 GLN 55 28.242 0.957 5.943 411 HE22 GLN 55 HE22 GLN 55 29.335 -0.036 5.046 412 H ASN 56 H ASN 56 23.820 2.846 3.156 413 HA ASN 56 HA ASN 56 24.412 4.212 5.662 414 HB2 ASN 56 HB2 ASN 56 24.994 6.156 4.179 415 HB3 ASN 56 HB3 ASN 56 25.969 4.715 3.922 416 HD21 ASN 56 HD21 ASN 56 25.785 3.582 2.021 417 HD22 ASN 56 HD22 ASN 56 24.945 4.200 0.635 418 H ILE 57 H ILE 57 22.975 5.274 6.747 419 HA ILE 57 HA ILE 57 20.720 6.543 5.360 420 HB ILE 57 HB ILE 57 20.650 4.863 7.862 421 HG12 ILE 57 HG12 ILE 57 20.340 3.696 5.717 422 HG13 ILE 57 HG13 ILE 57 18.879 3.656 6.699 423 HG21 ILE 57 HG21 ILE 57 18.371 5.578 8.254 424 HG22 ILE 57 HG22 ILE 57 18.457 6.681 6.879 425 HG23 ILE 57 HG23 ILE 57 19.461 6.962 8.302 426 HD11 ILE 57 HD11 ILE 57 17.935 5.464 5.355 427 HD12 ILE 57 HD12 ILE 57 18.350 4.062 4.370 428 HD13 ILE 57 HD13 ILE 57 19.395 5.483 4.364 429 H SER 58 H SER 58 20.401 8.626 5.917 430 HA SER 58 HA SER 58 21.447 9.586 8.477 431 HB2 SER 58 HB2 SER 58 22.278 11.664 7.204 432 HB3 SER 58 HB3 SER 58 23.251 10.198 7.096 433 HG SER 58 HG SER 58 21.255 10.707 5.162 434 H ILE 59 H ILE 59 19.291 9.680 9.151 435 HA ILE 59 HA ILE 59 17.459 11.353 7.618 436 HB ILE 59 HB ILE 59 16.695 10.057 10.210 437 HG12 ILE 59 HG12 ILE 59 16.822 8.652 7.534 438 HG13 ILE 59 HG13 ILE 59 17.862 8.304 8.911 439 HG21 ILE 59 HG21 ILE 59 15.239 10.586 7.623 440 HG22 ILE 59 HG22 ILE 59 15.110 11.532 9.107 441 HG23 ILE 59 HG23 ILE 59 14.529 9.866 9.069 442 HD11 ILE 59 HD11 ILE 59 14.876 7.930 8.816 443 HD12 ILE 59 HD12 ILE 59 15.917 7.571 10.192 444 HD13 ILE 59 HD13 ILE 59 16.090 6.657 8.693 445 H ALA 60 H ALA 60 16.582 13.240 8.411 446 HA ALA 60 HA ALA 60 18.275 14.556 10.396 447 HB1 ALA 60 HB1 ALA 60 17.401 16.638 9.458 448 HB2 ALA 60 HB2 ALA 60 16.339 15.715 8.396 449 HB3 ALA 60 HB3 ALA 60 18.089 15.605 8.206 450 H GLY 61 H GLY 61 17.367 15.942 11.997 451 HA2 GLY 61 HA2 GLY 61 14.552 15.689 12.654 452 HA3 GLY 61 HA3 GLY 61 15.628 14.822 13.739 453 H HIS 62 H HIS 62 13.942 16.943 14.523 454 HA HIS 62 HA HIS 62 15.926 18.812 15.513 455 HB2 HIS 62 HB2 HIS 62 14.760 20.810 14.739 456 HB3 HIS 62 HB3 HIS 62 15.253 19.821 13.370 457 HD1 HIS 62 HD1 HIS 62 12.369 21.512 14.794 458 HD2 HIS 62 HD2 HIS 62 13.005 18.250 12.283 459 HE1 HIS 62 HE1 HIS 62 10.169 21.093 13.640 460 H THR 63 H THR 63 14.839 20.461 16.987 461 HA THR 63 HA THR 63 13.007 18.952 18.692 462 HB THR 63 HB THR 63 15.276 19.678 19.549 463 HG1 THR 63 HG1 THR 63 14.189 20.658 21.539 464 HG21 THR 63 HG21 THR 63 13.940 22.378 19.482 465 HG22 THR 63 HG22 THR 63 15.358 21.886 18.559 466 HG23 THR 63 HG23 THR 63 15.451 22.014 20.316 467 H PHE 64 H PHE 64 11.670 20.417 20.151 468 HA PHE 64 HA PHE 64 10.834 22.954 18.994 469 HB2 PHE 64 HB2 PHE 64 9.010 20.604 19.429 470 HB3 PHE 64 HB3 PHE 64 8.398 22.237 19.636 471 HD1 PHE 64 HD1 PHE 64 8.952 23.852 17.597 472 HD2 PHE 64 HD2 PHE 64 8.750 19.606 17.382 473 HE1 PHE 64 HE1 PHE 64 8.505 23.999 15.182 474 HE2 PHE 64 HE2 PHE 64 8.297 19.747 14.968 475 HZ PHE 64 HZ PHE 64 8.173 21.945 13.865 476 H ILE 65 H ILE 65 9.279 24.037 20.648 477 HA ILE 65 HA ILE 65 10.288 23.359 23.332 478 HB ILE 65 HB ILE 65 11.031 25.569 22.369 479 HG12 ILE 65 HG12 ILE 65 10.590 26.827 24.472 480 HG13 ILE 65 HG13 ILE 65 9.415 25.596 24.927 481 HG21 ILE 65 HG21 ILE 65 8.990 26.206 21.228 482 HG22 ILE 65 HG22 ILE 65 9.439 27.430 22.414 483 HG23 ILE 65 HG23 ILE 65 8.135 26.298 22.770 484 HD11 ILE 65 HD11 ILE 65 11.543 25.255 26.047 485 HD12 ILE 65 HD12 ILE 65 12.355 25.144 24.484 486 HD13 ILE 65 HD13 ILE 65 11.175 23.918 24.955 487 H ASP 66 H ASP 66 7.570 23.744 21.353 488 HA ASP 66 HA ASP 66 5.708 24.110 23.565 489 HB2 ASP 66 HB2 ASP 66 5.001 25.499 21.896 490 HB3 ASP 66 HB3 ASP 66 5.603 24.452 20.618 491 H ARG 67 H ARG 67 6.560 21.630 21.179 492 HA ARG 67 HA ARG 67 4.153 20.145 21.928 493 HB2 ARG 67 HB2 ARG 67 4.919 20.629 19.495 494 HB3 ARG 67 HB3 ARG 67 6.050 19.314 19.761 495 HG2 ARG 67 HG2 ARG 67 4.034 18.535 18.650 496 HG3 ARG 67 HG3 ARG 67 4.201 17.808 20.251 497 HD2 ARG 67 HD2 ARG 67 2.588 19.348 21.169 498 HD3 ARG 67 HD3 ARG 67 2.492 20.217 19.637 499 HE ARG 67 HE ARG 67 1.770 17.728 18.918 500 HH11 ARG 67 HH11 ARG 67 0.715 19.795 21.549 501 HH12 ARG 67 HH12 ARG 67 -0.905 19.160 21.557 502 HH21 ARG 67 HH21 ARG 67 -0.352 16.901 18.925 503 HH22 ARG 67 HH22 ARG 67 -1.518 17.529 20.053 504 HA PRO 68 HA PRO 68 6.757 17.050 23.930 505 HB2 PRO 68 HB2 PRO 68 4.792 15.873 25.314 506 HB3 PRO 68 HB3 PRO 68 5.453 17.435 25.810 507 HG2 PRO 68 HG2 PRO 68 2.873 16.804 24.489 508 HG3 PRO 68 HG3 PRO 68 3.272 18.108 25.617 509 HD2 PRO 68 HD2 PRO 68 3.090 18.293 22.802 510 HD3 PRO 68 HD3 PRO 68 3.719 19.525 23.910 511 H ASN 69 H ASN 69 4.757 16.940 21.382 512 HA ASN 69 HA ASN 69 4.771 14.012 21.227 513 HB2 ASN 69 HB2 ASN 69 2.665 15.910 20.183 514 HB3 ASN 69 HB3 ASN 69 2.686 14.175 19.920 515 HD21 ASN 69 HD21 ASN 69 2.369 12.785 21.722 516 HD22 ASN 69 HD22 ASN 69 1.552 13.352 23.135 517 H TYR 70 H TYR 70 6.586 16.291 20.081 518 HA TYR 70 HA TYR 70 6.307 15.632 17.266 519 HB2 TYR 70 HB2 TYR 70 8.189 17.087 16.824 520 HB3 TYR 70 HB3 TYR 70 7.058 17.917 17.878 521 HD1 TYR 70 HD1 TYR 70 10.291 16.058 17.885 522 HD2 TYR 70 HD2 TYR 70 7.780 18.835 19.897 523 HE1 TYR 70 HE1 TYR 70 12.119 16.563 19.454 524 HE2 TYR 70 HE2 TYR 70 9.596 19.342 21.472 525 HH TYR 70 HH TYR 70 12.759 18.567 21.001 526 H GLN 71 H GLN 71 8.258 14.884 16.099 527 HA GLN 71 HA GLN 71 8.858 12.385 16.250 528 HB2 GLN 71 HB2 GLN 71 11.340 13.113 15.583 529 HB3 GLN 71 HB3 GLN 71 9.955 13.297 14.513 530 HG2 GLN 71 HG2 GLN 71 9.712 15.636 15.441 531 HG3 GLN 71 HG3 GLN 71 11.284 15.400 16.200 532 HE21 GLN 71 HE21 GLN 71 9.570 15.585 13.164 533 HE22 GLN 71 HE22 GLN 71 10.948 15.970 12.185 534 H PHE 72 H PHE 72 11.196 14.493 18.011 535 HA PHE 72 HA PHE 72 11.990 12.024 19.404 536 HB2 PHE 72 HB2 PHE 72 13.712 14.414 18.727 537 HB3 PHE 72 HB3 PHE 72 14.254 12.937 19.514 538 HD1 PHE 72 HD1 PHE 72 13.558 10.728 18.109 539 HD2 PHE 72 HD2 PHE 72 14.198 14.618 16.509 540 HE1 PHE 72 HE1 PHE 72 14.046 9.740 15.909 541 HE2 PHE 72 HE2 PHE 72 14.682 13.639 14.306 542 HZ PHE 72 HZ PHE 72 14.606 11.197 14.002 543 H THR 73 H THR 73 9.933 13.495 20.575 544 HA THR 73 HA THR 73 10.957 15.258 22.586 545 HB THR 73 HB THR 73 8.718 14.895 23.695 546 HG1 THR 73 HG1 THR 73 7.229 13.605 22.678 547 HG21 THR 73 HG21 THR 73 8.670 15.611 20.773 548 HG22 THR 73 HG22 THR 73 9.070 16.699 22.105 549 HG23 THR 73 HG23 THR 73 7.442 16.033 21.965 550 H ASN 74 H ASN 74 9.845 11.898 22.611 551 HA ASN 74 HA ASN 74 10.675 11.575 25.375 552 HB2 ASN 74 HB2 ASN 74 8.516 10.660 24.301 553 HB3 ASN 74 HB3 ASN 74 9.548 9.424 23.598 554 HD21 ASN 74 HD21 ASN 74 8.436 7.834 24.741 555 HD22 ASN 74 HD22 ASN 74 8.684 7.587 26.436 556 H LEU 75 H LEU 75 12.499 11.831 22.914 557 HA LEU 75 HA LEU 75 13.908 9.437 22.506 558 HB2 LEU 75 HB2 LEU 75 14.015 11.877 21.413 559 HB3 LEU 75 HB3 LEU 75 15.368 12.039 22.508 560 HG LEU 75 HG LEU 75 16.009 11.391 20.197 561 HD11 LEU 75 HD11 LEU 75 16.646 9.384 22.347 562 HD12 LEU 75 HD12 LEU 75 17.533 10.866 21.979 563 HD13 LEU 75 HD13 LEU 75 17.511 9.537 20.818 564 HD21 LEU 75 HD21 LEU 75 15.581 9.133 19.418 565 HD22 LEU 75 HD22 LEU 75 14.072 10.007 19.682 566 HD23 LEU 75 HD23 LEU 75 14.613 8.807 20.856 567 H LYS 76 H LYS 76 13.888 11.693 25.115 568 HA LYS 76 HA LYS 76 16.390 11.119 26.287 569 HB2 LYS 76 HB2 LYS 76 15.395 12.143 28.322 570 HB3 LYS 76 HB3 LYS 76 15.188 13.120 26.876 571 HG2 LYS 76 HG2 LYS 76 12.878 12.132 26.675 572 HG3 LYS 76 HG3 LYS 76 13.120 11.452 28.284 573 HD2 LYS 76 HD2 LYS 76 13.421 13.656 29.214 574 HD3 LYS 76 HD3 LYS 76 13.334 14.380 27.609 575 HE2 LYS 76 HE2 LYS 76 11.210 14.721 28.571 576 HE3 LYS 76 HE3 LYS 76 11.013 13.388 27.434 577 HZ1 LYS 76 HZ1 LYS 76 9.881 12.819 29.419 578 HZ2 LYS 76 HZ2 LYS 76 11.209 13.224 30.389 579 HZ3 LYS 76 HZ3 LYS 76 11.283 11.862 29.377 580 H ALA 77 H ALA 77 13.378 9.417 26.296 581 HA ALA 77 HA ALA 77 13.945 7.883 28.675 582 HB1 ALA 77 HB1 ALA 77 11.646 8.414 28.076 583 HB2 ALA 77 HB2 ALA 77 11.900 6.670 28.133 584 HB3 ALA 77 HB3 ALA 77 11.815 7.499 26.578 585 H ALA 78 H ALA 78 14.999 7.730 25.499 586 HA ALA 78 HA ALA 78 15.053 4.844 25.283 587 HB1 ALA 78 HB1 ALA 78 16.200 6.982 23.495 588 HB2 ALA 78 HB2 ALA 78 14.641 6.184 23.298 589 HB3 ALA 78 HB3 ALA 78 16.132 5.260 23.119 590 H LYS 79 H LYS 79 16.866 3.541 25.410 591 HA LYS 79 HA LYS 79 19.151 4.777 26.799 592 HB2 LYS 79 HB2 LYS 79 18.326 1.866 26.793 593 HB3 LYS 79 HB3 LYS 79 19.630 2.569 27.731 594 HG2 LYS 79 HG2 LYS 79 17.973 2.368 29.304 595 HG3 LYS 79 HG3 LYS 79 17.742 4.030 28.762 596 HD2 LYS 79 HD2 LYS 79 15.928 3.359 27.323 597 HD3 LYS 79 HD3 LYS 79 16.210 1.658 27.697 598 HE2 LYS 79 HE2 LYS 79 14.330 2.425 28.978 599 HE3 LYS 79 HE3 LYS 79 15.685 2.146 30.070 600 HZ1 LYS 79 HZ1 LYS 79 16.119 4.519 30.103 601 HZ2 LYS 79 HZ2 LYS 79 14.518 4.206 30.573 602 HZ3 LYS 79 HZ3 LYS 79 14.845 4.794 29.018 603 H LYS 80 H LYS 80 21.189 3.297 26.497 604 HA LYS 80 HA LYS 80 21.880 3.454 23.733 605 HB2 LYS 80 HB2 LYS 80 24.106 2.902 24.386 606 HB3 LYS 80 HB3 LYS 80 23.460 3.954 25.635 607 HG2 LYS 80 HG2 LYS 80 23.297 0.995 25.972 608 HG3 LYS 80 HG3 LYS 80 24.818 1.830 26.272 609 HD2 LYS 80 HD2 LYS 80 24.097 2.668 28.215 610 HD3 LYS 80 HD3 LYS 80 22.535 3.127 27.542 611 HE2 LYS 80 HE2 LYS 80 21.721 0.864 27.800 612 HE3 LYS 80 HE3 LYS 80 23.305 0.326 28.355 613 HZ1 LYS 80 HZ1 LYS 80 21.771 2.424 29.777 614 HZ2 LYS 80 HZ2 LYS 80 23.074 1.501 30.353 615 HZ3 LYS 80 HZ3 LYS 80 21.562 0.776 30.113 616 H GLY 81 H GLY 81 20.148 1.196 25.289 617 HA2 GLY 81 HA2 GLY 81 21.093 -0.936 23.482 618 HA3 GLY 81 HA3 GLY 81 20.646 -1.282 25.146 619 H SER 82 H SER 82 18.857 1.108 23.426 620 HA SER 82 HA SER 82 16.491 -0.497 23.633 621 HB2 SER 82 HB2 SER 82 16.919 2.371 22.760 622 HB3 SER 82 HB3 SER 82 15.344 1.594 22.959 623 HG SER 82 HG SER 82 16.166 1.125 25.189 624 H MET 83 H MET 83 14.976 -0.374 21.812 625 HA MET 83 HA MET 83 16.401 -1.309 19.428 626 HB2 MET 83 HB2 MET 83 13.702 -1.934 20.580 627 HB3 MET 83 HB3 MET 83 14.071 -2.295 18.900 628 HG2 MET 83 HG2 MET 83 16.032 -3.227 20.871 629 HG3 MET 83 HG3 MET 83 14.451 -4.001 20.934 630 HE1 MET 83 HE1 MET 83 17.761 -3.492 18.951 631 HE2 MET 83 HE2 MET 83 16.639 -2.609 17.916 632 HE3 MET 83 HE3 MET 83 17.361 -4.117 17.350 633 H VAL 84 H VAL 84 16.422 -0.170 17.696 634 HA VAL 84 HA VAL 84 14.257 1.773 17.218 635 HB VAL 84 HB VAL 84 17.113 1.875 16.227 636 HG11 VAL 84 HG11 VAL 84 15.587 2.830 14.602 637 HG12 VAL 84 HG12 VAL 84 16.528 4.102 15.379 638 HG13 VAL 84 HG13 VAL 84 14.849 3.833 15.851 639 HG21 VAL 84 HG21 VAL 84 17.276 3.863 17.678 640 HG22 VAL 84 HG22 VAL 84 16.992 2.374 18.574 641 HG23 VAL 84 HG23 VAL 84 15.667 3.505 18.304 642 H TYR 85 H TYR 85 13.035 1.457 15.484 643 HA TYR 85 HA TYR 85 13.922 -0.593 13.563 644 HB2 TYR 85 HB2 TYR 85 11.116 0.087 14.460 645 HB3 TYR 85 HB3 TYR 85 11.525 -1.098 13.227 646 HD1 TYR 85 HD1 TYR 85 13.173 -2.983 13.996 647 HD2 TYR 85 HD2 TYR 85 10.828 -0.620 16.642 648 HE1 TYR 85 HE1 TYR 85 13.383 -4.720 15.723 649 HE2 TYR 85 HE2 TYR 85 11.036 -2.347 18.380 650 HH TYR 85 HH TYR 85 13.267 -4.827 18.252 651 H PHE 86 H PHE 86 13.888 -0.141 11.464 652 HA PHE 86 HA PHE 86 12.524 2.321 10.592 653 HB2 PHE 86 HB2 PHE 86 15.028 2.504 10.483 654 HB3 PHE 86 HB3 PHE 86 15.031 1.160 9.344 655 HD1 PHE 86 HD1 PHE 86 13.435 4.492 9.828 656 HD2 PHE 86 HD2 PHE 86 14.998 1.635 7.092 657 HE1 PHE 86 HE1 PHE 86 13.059 6.069 7.978 658 HE2 PHE 86 HE2 PHE 86 14.626 3.208 5.234 659 HZ PHE 86 HZ PHE 86 13.654 5.430 5.678 660 H LYS 87 H LYS 87 10.945 1.952 9.208 661 HA LYS 87 HA LYS 87 10.753 -0.741 8.031 662 HB2 LYS 87 HB2 LYS 87 9.033 -0.013 9.709 663 HB3 LYS 87 HB3 LYS 87 8.522 1.219 8.569 664 HG2 LYS 87 HG2 LYS 87 8.078 -0.646 6.935 665 HG3 LYS 87 HG3 LYS 87 8.341 -1.765 8.272 666 HD2 LYS 87 HD2 LYS 87 6.169 0.279 7.935 667 HD3 LYS 87 HD3 LYS 87 6.017 -1.456 8.210 668 HE2 LYS 87 HE2 LYS 87 7.026 0.589 10.189 669 HE3 LYS 87 HE3 LYS 87 5.444 -0.191 10.218 670 HZ1 LYS 87 HZ1 LYS 87 7.352 -1.081 11.699 671 HZ2 LYS 87 HZ2 LYS 87 7.874 -1.857 10.282 672 HZ3 LYS 87 HZ3 LYS 87 6.336 -2.181 10.906 673 H VAL 88 H VAL 88 10.442 -1.010 5.923 674 HA VAL 88 HA VAL 88 9.556 1.253 4.300 675 HB VAL 88 HB VAL 88 11.896 1.283 3.848 676 HG11 VAL 88 HG11 VAL 88 11.727 -1.690 3.357 677 HG12 VAL 88 HG12 VAL 88 12.522 -0.898 4.718 678 HG13 VAL 88 HG13 VAL 88 13.151 -0.685 3.084 679 HG21 VAL 88 HG21 VAL 88 10.491 1.556 1.903 680 HG22 VAL 88 HG22 VAL 88 10.456 -0.189 1.649 681 HG23 VAL 88 HG23 VAL 88 11.967 0.699 1.455 682 H GLY 89 H GLY 89 7.702 0.647 3.462 683 HA2 GLY 89 HA2 GLY 89 6.007 -0.677 2.638 684 HA3 GLY 89 HA3 GLY 89 7.254 -1.794 2.093 685 H ASN 90 H ASN 90 7.492 -3.684 3.150 686 HA ASN 90 HA ASN 90 6.124 -3.968 5.745 687 HB2 ASN 90 HB2 ASN 90 6.440 -5.922 3.483 688 HB3 ASN 90 HB3 ASN 90 6.112 -6.468 5.125 689 HD21 ASN 90 HD21 ASN 90 4.169 -5.835 6.125 690 HD22 ASN 90 HD22 ASN 90 2.786 -5.402 5.173 691 H GLU 91 H GLU 91 9.085 -3.650 4.414 692 HA GLU 91 HA GLU 91 10.446 -5.682 5.996 693 HB2 GLU 91 HB2 GLU 91 11.585 -3.489 4.246 694 HB3 GLU 91 HB3 GLU 91 12.495 -4.810 4.965 695 HG2 GLU 91 HG2 GLU 91 11.256 -6.415 3.625 696 HG3 GLU 91 HG3 GLU 91 10.298 -5.110 2.929 697 H THR 92 H THR 92 11.633 -5.251 7.839 698 HA THR 92 HA THR 92 11.926 -2.480 8.696 699 HB THR 92 HB THR 92 10.582 -4.544 10.459 700 HG1 THR 92 HG1 THR 92 9.538 -3.066 8.538 701 HG21 THR 92 HG21 THR 92 11.930 -2.905 11.696 702 HG22 THR 92 HG22 THR 92 10.206 -2.668 11.980 703 HG23 THR 92 HG23 THR 92 11.074 -1.594 10.884 704 H ARG 93 H ARG 93 13.993 -2.268 9.226 705 HA ARG 93 HA ARG 93 15.511 -4.586 10.145 706 HB2 ARG 93 HB2 ARG 93 16.309 -1.821 9.252 707 HB3 ARG 93 HB3 ARG 93 17.437 -2.870 10.087 708 HG2 ARG 93 HG2 ARG 93 17.942 -3.173 7.847 709 HG3 ARG 93 HG3 ARG 93 16.942 -4.570 8.240 710 HD2 ARG 93 HD2 ARG 93 15.196 -3.857 6.955 711 HD3 ARG 93 HD3 ARG 93 15.577 -2.149 7.194 712 HE ARG 93 HE ARG 93 17.647 -2.941 5.711 713 HH11 ARG 93 HH11 ARG 93 14.245 -3.622 5.305 714 HH12 ARG 93 HH12 ARG 93 14.305 -3.614 3.569 715 HH21 ARG 93 HH21 ARG 93 17.749 -2.907 3.433 716 HH22 ARG 93 HH22 ARG 93 16.306 -3.171 2.498 717 H LYS 94 H LYS 94 16.742 -4.531 12.083 718 HA LYS 94 HA LYS 94 15.647 -2.699 14.107 719 HB2 LYS 94 HB2 LYS 94 17.005 -4.964 15.273 720 HB3 LYS 94 HB3 LYS 94 15.352 -4.421 15.506 721 HG2 LYS 94 HG2 LYS 94 15.124 -6.600 14.740 722 HG3 LYS 94 HG3 LYS 94 14.854 -5.624 13.295 723 HD2 LYS 94 HD2 LYS 94 16.294 -7.482 12.744 724 HD3 LYS 94 HD3 LYS 94 17.221 -5.983 12.661 725 HE2 LYS 94 HE2 LYS 94 18.559 -7.645 13.756 726 HE3 LYS 94 HE3 LYS 94 18.070 -6.439 14.948 727 HZ1 LYS 94 HZ1 LYS 94 16.584 -7.906 15.930 728 HZ2 LYS 94 HZ2 LYS 94 17.904 -8.901 15.567 729 HZ3 LYS 94 HZ3 LYS 94 16.523 -8.934 14.586 730 H TYR 95 H TYR 95 16.967 -1.269 14.938 731 HA TYR 95 HA TYR 95 19.872 -1.763 14.796 732 HB2 TYR 95 HB2 TYR 95 18.426 0.882 14.517 733 HB3 TYR 95 HB3 TYR 95 20.171 0.663 14.501 734 HD1 TYR 95 HD1 TYR 95 17.060 0.159 12.613 735 HD2 TYR 95 HD2 TYR 95 21.299 -0.179 12.535 736 HE1 TYR 95 HE1 TYR 95 16.989 -0.135 10.175 737 HE2 TYR 95 HE2 TYR 95 21.236 -0.477 10.095 738 HH TYR 95 HH TYR 95 18.633 0.267 8.221 739 H LYS 96 H LYS 96 21.123 -0.882 16.510 740 HA LYS 96 HA LYS 96 19.574 -0.513 18.987 741 HB2 LYS 96 HB2 LYS 96 21.178 -2.449 18.819 742 HB3 LYS 96 HB3 LYS 96 22.484 -1.280 18.709 743 HG2 LYS 96 HG2 LYS 96 21.800 -0.396 20.925 744 HG3 LYS 96 HG3 LYS 96 20.619 -1.703 21.031 745 HD2 LYS 96 HD2 LYS 96 23.615 -1.969 20.827 746 HD3 LYS 96 HD3 LYS 96 22.609 -2.346 22.227 747 HE2 LYS 96 HE2 LYS 96 21.534 -4.144 21.011 748 HE3 LYS 96 HE3 LYS 96 22.432 -3.729 19.552 749 HZ1 LYS 96 HZ1 LYS 96 23.520 -4.832 22.082 750 HZ2 LYS 96 HZ2 LYS 96 24.494 -4.224 20.830 751 HZ3 LYS 96 HZ3 LYS 96 23.503 -5.569 20.553 752 H MET 97 H MET 97 20.223 1.114 20.461 753 HA MET 97 HA MET 97 21.171 3.485 19.088 754 HB2 MET 97 HB2 MET 97 20.251 3.201 21.955 755 HB3 MET 97 HB3 MET 97 20.441 4.701 21.055 756 HG2 MET 97 HG2 MET 97 18.682 3.875 19.484 757 HG3 MET 97 HG3 MET 97 18.413 2.533 20.592 758 HE1 MET 97 HE1 MET 97 18.065 6.394 19.989 759 HE2 MET 97 HE2 MET 97 19.202 6.353 21.336 760 HE3 MET 97 HE3 MET 97 17.567 6.969 21.580 761 H THR 98 H THR 98 23.326 2.545 18.832 762 HA THR 98 HA THR 98 24.904 1.881 21.101 763 HB THR 98 HB THR 98 26.801 1.870 19.456 764 HG1 THR 98 HG1 THR 98 25.818 1.969 17.163 765 HG21 THR 98 HG21 THR 98 25.972 -0.056 18.185 766 HG22 THR 98 HG22 THR 98 24.318 0.355 18.639 767 HG23 THR 98 HG23 THR 98 25.473 -0.143 19.875 768 H SER 99 H SER 99 24.791 4.723 18.966 769 HA SER 99 HA SER 99 26.557 6.082 20.894 770 HB2 SER 99 HB2 SER 99 26.351 6.708 17.946 771 HB3 SER 99 HB3 SER 99 27.533 7.334 19.092 772 HG SER 99 HG SER 99 27.275 4.563 18.595 773 H ILE 100 H ILE 100 25.385 7.411 22.076 774 HA ILE 100 HA ILE 100 23.467 9.186 20.723 775 HB ILE 100 HB ILE 100 23.160 8.178 23.564 776 HG12 ILE 100 HG12 ILE 100 21.576 7.338 21.126 777 HG13 ILE 100 HG13 ILE 100 22.858 6.372 21.846 778 HG21 ILE 100 HG21 ILE 100 22.181 10.377 23.122 779 HG22 ILE 100 HG22 ILE 100 20.925 9.169 23.400 780 HG23 ILE 100 HG23 ILE 100 21.283 9.705 21.759 781 HD11 ILE 100 HD11 ILE 100 20.336 7.218 23.243 782 HD12 ILE 100 HD12 ILE 100 21.596 6.168 23.895 783 HD13 ILE 100 HD13 ILE 100 20.624 5.639 22.519 784 H ARG 101 H ARG 101 24.958 10.864 20.561 785 HA ARG 101 HA ARG 101 26.051 11.833 23.112 786 HB2 ARG 101 HB2 ARG 101 27.467 11.616 20.465 787 HB3 ARG 101 HB3 ARG 101 28.092 12.536 21.826 788 HG2 ARG 101 HG2 ARG 101 28.133 10.488 23.171 789 HG3 ARG 101 HG3 ARG 101 27.545 9.576 21.780 790 HD2 ARG 101 HD2 ARG 101 30.104 11.166 21.815 791 HD3 ARG 101 HD3 ARG 101 30.008 9.437 22.138 792 HE ARG 101 HE ARG 101 29.060 10.523 19.574 793 HH11 ARG 101 HH11 ARG 101 31.208 8.454 21.403 794 HH12 ARG 101 HH12 ARG 101 31.825 7.627 20.003 795 HH21 ARG 101 HH21 ARG 101 29.885 9.450 17.709 796 HH22 ARG 101 HH22 ARG 101 31.061 8.193 17.900 797 H ASP 102 H ASP 102 26.202 13.974 23.410 798 HA ASP 102 HA ASP 102 24.600 15.631 21.588 799 HB2 ASP 102 HB2 ASP 102 23.787 15.481 23.896 800 HB3 ASP 102 HB3 ASP 102 25.349 16.018 24.500 801 H VAL 103 H VAL 103 25.674 16.980 20.292 802 HA VAL 103 HA VAL 103 28.277 18.028 21.170 803 HB VAL 103 HB VAL 103 29.161 17.697 18.856 804 HG11 VAL 103 HG11 VAL 103 29.635 15.300 19.119 805 HG12 VAL 103 HG12 VAL 103 28.369 15.194 20.342 806 HG13 VAL 103 HG13 VAL 103 29.801 16.180 20.639 807 HG21 VAL 103 HG21 VAL 103 27.034 17.471 17.684 808 HG22 VAL 103 HG22 VAL 103 26.714 15.961 18.534 809 HG23 VAL 103 HG23 VAL 103 28.058 16.065 17.399 810 H LYS 104 H LYS 104 29.053 19.679 19.385 811 HA LYS 104 HA LYS 104 26.751 21.235 18.425 812 HB2 LYS 104 HB2 LYS 104 29.133 22.286 19.950 813 HB3 LYS 104 HB3 LYS 104 28.042 23.315 19.033 814 HG2 LYS 104 HG2 LYS 104 26.178 22.580 20.450 815 HG3 LYS 104 HG3 LYS 104 27.301 21.589 21.386 816 HD2 LYS 104 HD2 LYS 104 26.841 23.750 22.472 817 HD3 LYS 104 HD3 LYS 104 28.544 23.572 22.038 818 HE2 LYS 104 HE2 LYS 104 28.080 24.877 19.966 819 HE3 LYS 104 HE3 LYS 104 26.444 25.156 20.561 820 HZ1 LYS 104 HZ1 LYS 104 27.380 26.275 22.491 821 HZ2 LYS 104 HZ2 LYS 104 27.891 27.019 21.058 822 HZ3 LYS 104 HZ3 LYS 104 28.951 26.010 21.908 823 HA PRO 105 HA PRO 105 29.649 21.322 14.919 824 HB2 PRO 105 HB2 PRO 105 28.013 19.874 13.217 825 HB3 PRO 105 HB3 PRO 105 29.349 19.196 14.148 826 HG2 PRO 105 HG2 PRO 105 26.553 18.692 14.465 827 HG3 PRO 105 HG3 PRO 105 27.888 18.038 15.424 828 HD2 PRO 105 HD2 PRO 105 26.066 20.295 16.016 829 HD3 PRO 105 HD3 PRO 105 26.988 19.260 17.129 830 H THR 106 H THR 106 29.334 23.428 14.354 831 HA THR 106 HA THR 106 26.704 24.457 13.791 832 HB THR 106 HB THR 106 29.382 25.841 13.500 833 HG1 THR 106 HG1 THR 106 27.967 26.606 15.658 834 HG21 THR 106 HG21 THR 106 27.573 26.989 12.330 835 HG22 THR 106 HG22 THR 106 28.057 27.899 13.760 836 HG23 THR 106 HG23 THR 106 26.579 26.939 13.786 837 H ASP 107 H ASP 107 29.339 23.177 11.951 838 HA ASP 107 HA ASP 107 28.476 24.465 9.491 839 HB2 ASP 107 HB2 ASP 107 30.895 24.156 9.955 840 HB3 ASP 107 HB3 ASP 107 30.658 22.409 9.885 841 H VAL 108 H VAL 108 27.581 23.475 7.750 842 HA VAL 108 HA VAL 108 26.802 20.647 8.018 843 HB VAL 108 HB VAL 108 24.605 21.191 6.996 844 HG11 VAL 108 HG11 VAL 108 25.157 22.691 9.556 845 HG12 VAL 108 HG12 VAL 108 24.791 20.971 9.425 846 HG13 VAL 108 HG13 VAL 108 23.574 22.168 8.984 847 HG21 VAL 108 HG21 VAL 108 25.217 23.265 5.865 848 HG22 VAL 108 HG22 VAL 108 25.444 24.061 7.422 849 HG23 VAL 108 HG23 VAL 108 23.837 23.522 6.935 850 H GLU 109 H GLU 109 28.917 22.177 6.481 851 HA GLU 109 HA GLU 109 27.961 21.655 3.746 852 HB2 GLU 109 HB2 GLU 109 29.693 23.889 4.766 853 HB3 GLU 109 HB3 GLU 109 29.513 23.519 3.059 854 HG2 GLU 109 HG2 GLU 109 27.112 24.050 4.756 855 HG3 GLU 109 HG3 GLU 109 28.075 25.379 4.114 856 H VAL 110 H VAL 110 30.822 21.773 5.800 857 HA VAL 110 HA VAL 110 32.551 20.960 3.653 858 HB VAL 110 HB VAL 110 34.357 21.016 5.246 859 HG11 VAL 110 HG11 VAL 110 32.451 23.310 5.654 860 HG12 VAL 110 HG12 VAL 110 33.608 23.133 4.336 861 HG13 VAL 110 HG13 VAL 110 34.182 23.341 5.990 862 HG21 VAL 110 HG21 VAL 110 33.265 19.970 7.150 863 HG22 VAL 110 HG22 VAL 110 32.252 21.396 7.369 864 HG23 VAL 110 HG23 VAL 110 33.995 21.507 7.614 865 H LEU 111 H LEU 111 30.474 19.177 5.501 866 HA LEU 111 HA LEU 111 32.212 16.908 5.942 867 HB2 LEU 111 HB2 LEU 111 29.306 17.423 6.471 868 HB3 LEU 111 HB3 LEU 111 29.966 15.807 6.595 869 HG LEU 111 HG LEU 111 29.884 16.741 8.791 870 HD11 LEU 111 HD11 LEU 111 31.829 15.386 8.343 871 HD12 LEU 111 HD12 LEU 111 32.251 16.697 9.444 872 HD13 LEU 111 HD13 LEU 111 32.706 16.792 7.743 873 HD21 LEU 111 HD21 LEU 111 29.778 19.106 8.190 874 HD22 LEU 111 HD22 LEU 111 31.481 19.067 7.727 875 HD23 LEU 111 HD23 LEU 111 31.017 18.809 9.410 876 H ASP 112 H ASP 112 32.553 17.186 3.453 877 HA ASP 112 HA ASP 112 30.785 15.263 2.085 878 HB2 ASP 112 HB2 ASP 112 30.749 17.327 0.882 879 HB3 ASP 112 HB3 ASP 112 32.496 17.500 0.990 880 H GLU 113 H GLU 113 31.804 13.640 0.787 881 HA GLU 113 HA GLU 113 33.198 11.858 0.622 882 HB2 GLU 113 HB2 GLU 113 35.180 14.100 0.884 883 HB3 GLU 113 HB3 GLU 113 35.716 12.429 0.756 884 HG2 GLU 113 HG2 GLU 113 34.018 13.903 -1.248 885 HG3 GLU 113 HG3 GLU 113 35.735 13.527 -1.412 886 H GLN 114 H GLN 114 32.034 12.482 3.085 887 HA GLN 114 HA GLN 114 33.880 12.114 5.205 888 HB2 GLN 114 HB2 GLN 114 31.920 11.922 6.638 889 HB3 GLN 114 HB3 GLN 114 31.835 13.327 5.597 890 HG2 GLN 114 HG2 GLN 114 30.232 10.800 5.474 891 HG3 GLN 114 HG3 GLN 114 29.665 12.450 5.677 892 HE21 GLN 114 HE21 GLN 114 29.773 13.870 3.791 893 HE22 GLN 114 HE22 GLN 114 29.675 13.173 2.203 894 H LYS 115 H LYS 115 35.039 10.369 5.047 895 HA LYS 115 HA LYS 115 34.024 7.843 4.199 896 HB2 LYS 115 HB2 LYS 115 36.353 7.071 4.720 897 HB3 LYS 115 HB3 LYS 115 36.248 8.402 3.578 898 HG2 LYS 115 HG2 LYS 115 36.678 9.931 5.566 899 HG3 LYS 115 HG3 LYS 115 37.134 8.469 6.441 900 HD2 LYS 115 HD2 LYS 115 39.078 9.624 5.453 901 HD3 LYS 115 HD3 LYS 115 38.864 7.997 4.807 902 HE2 LYS 115 HE2 LYS 115 37.846 8.882 2.803 903 HE3 LYS 115 HE3 LYS 115 37.894 10.516 3.458 904 HZ1 LYS 115 HZ1 LYS 115 39.689 9.940 1.829 905 HZ2 LYS 115 HZ2 LYS 115 40.334 8.892 2.997 906 HZ3 LYS 115 HZ3 LYS 115 40.232 10.558 3.313 907 H GLY 116 H GLY 116 34.015 5.911 5.380 908 HA2 GLY 116 HA2 GLY 116 34.056 4.665 7.403 909 HA3 GLY 116 HA3 GLY 116 33.975 6.177 8.298 910 H LYS 117 H LYS 117 32.139 3.879 6.379 911 HA LYS 117 HA LYS 117 29.699 4.901 7.676 912 HB2 LYS 117 HB2 LYS 117 29.827 3.605 4.953 913 HB3 LYS 117 HB3 LYS 117 28.390 4.206 5.748 914 HG2 LYS 117 HG2 LYS 117 30.693 5.890 4.782 915 HG3 LYS 117 HG3 LYS 117 29.134 5.701 3.980 916 HD2 LYS 117 HD2 LYS 117 28.192 6.516 6.287 917 HD3 LYS 117 HD3 LYS 117 29.816 7.172 6.489 918 HE2 LYS 117 HE2 LYS 117 27.789 7.829 4.366 919 HE3 LYS 117 HE3 LYS 117 28.516 8.910 5.552 920 HZ1 LYS 117 HZ1 LYS 117 29.549 9.347 3.493 921 HZ2 LYS 117 HZ2 LYS 117 29.796 7.707 3.166 922 HZ3 LYS 117 HZ3 LYS 117 30.686 8.471 4.393 923 H ASP 118 H ASP 118 28.057 3.282 7.985 924 HA ASP 118 HA ASP 118 28.697 0.489 7.678 925 HB2 ASP 118 HB2 ASP 118 29.676 1.291 9.967 926 HB3 ASP 118 HB3 ASP 118 27.995 1.389 10.472 927 H LYS 119 H LYS 119 26.732 -0.694 8.934 928 HA LYS 119 HA LYS 119 24.320 0.439 7.833 929 HB2 LYS 119 HB2 LYS 119 24.871 -2.023 9.478 930 HB3 LYS 119 HB3 LYS 119 23.240 -1.541 9.030 931 HG2 LYS 119 HG2 LYS 119 23.745 -3.046 7.372 932 HG3 LYS 119 HG3 LYS 119 24.206 -1.525 6.610 933 HD2 LYS 119 HD2 LYS 119 25.958 -3.069 6.180 934 HD3 LYS 119 HD3 LYS 119 26.550 -1.955 7.415 935 HE2 LYS 119 HE2 LYS 119 27.156 -4.247 7.962 936 HE3 LYS 119 HE3 LYS 119 26.027 -3.598 9.149 937 HZ1 LYS 119 HZ1 LYS 119 25.141 -5.253 6.855 938 HZ2 LYS 119 HZ2 LYS 119 24.271 -4.866 8.262 939 HZ3 LYS 119 HZ3 LYS 119 25.593 -5.930 8.343 940 H GLN 120 H GLN 120 23.979 2.342 8.849 941 HA GLN 120 HA GLN 120 23.126 2.211 11.629 942 HB2 GLN 120 HB2 GLN 120 24.491 4.237 12.183 943 HB3 GLN 120 HB3 GLN 120 25.443 2.788 11.894 944 HG2 GLN 120 HG2 GLN 120 26.016 3.561 9.678 945 HG3 GLN 120 HG3 GLN 120 24.980 4.974 9.875 946 HE21 GLN 120 HE21 GLN 120 25.674 6.682 11.129 947 HE22 GLN 120 HE22 GLN 120 27.304 6.822 11.704 948 H LEU 121 H LEU 121 21.374 3.425 11.969 949 HA LEU 121 HA LEU 121 20.517 5.310 9.927 950 HB2 LEU 121 HB2 LEU 121 19.208 4.838 12.605 951 HB3 LEU 121 HB3 LEU 121 18.500 5.569 11.180 952 HG LEU 121 HG LEU 121 19.214 2.655 11.498 953 HD11 LEU 121 HD11 LEU 121 17.281 3.333 12.819 954 HD12 LEU 121 HD12 LEU 121 16.792 2.322 11.459 955 HD13 LEU 121 HD13 LEU 121 16.551 4.070 11.394 956 HD21 LEU 121 HD21 LEU 121 18.102 2.346 9.353 957 HD22 LEU 121 HD22 LEU 121 19.487 3.427 9.188 958 HD23 LEU 121 HD23 LEU 121 17.850 4.085 9.219 959 H THR 122 H THR 122 21.827 7.065 9.981 960 HA THR 122 HA THR 122 22.727 8.203 12.457 961 HB THR 122 HB THR 122 22.831 9.546 9.755 962 HG1 THR 122 HG1 THR 122 23.830 7.671 9.304 963 HG21 THR 122 HG21 THR 122 23.473 10.905 11.704 964 HG22 THR 122 HG22 THR 122 24.859 10.574 10.664 965 HG23 THR 122 HG23 THR 122 24.652 9.677 12.169 966 H LEU 123 H LEU 123 20.878 8.711 13.603 967 HA LEU 123 HA LEU 123 18.957 10.552 12.425 968 HB2 LEU 123 HB2 LEU 123 19.032 8.912 14.931 969 HB3 LEU 123 HB3 LEU 123 17.929 10.269 14.809 970 HG LEU 123 HG LEU 123 17.985 7.928 12.899 971 HD11 LEU 123 HD11 LEU 123 17.226 7.253 15.118 972 HD12 LEU 123 HD12 LEU 123 15.886 7.272 13.972 973 HD13 LEU 123 HD13 LEU 123 16.072 8.584 15.136 974 HD21 LEU 123 HD21 LEU 123 15.949 8.862 12.024 975 HD22 LEU 123 HD22 LEU 123 17.219 10.087 11.963 976 HD23 LEU 123 HD23 LEU 123 15.987 10.157 13.222 977 H ILE 124 H ILE 124 19.557 12.585 12.412 978 HA ILE 124 HA ILE 124 21.150 13.680 14.587 979 HB ILE 124 HB ILE 124 20.053 15.169 12.198 980 HG12 ILE 124 HG12 ILE 124 22.744 13.800 12.427 981 HG13 ILE 124 HG13 ILE 124 21.379 13.151 11.523 982 HG21 ILE 124 HG21 ILE 124 22.417 15.682 14.006 983 HG22 ILE 124 HG22 ILE 124 20.884 16.553 14.034 984 HG23 ILE 124 HG23 ILE 124 21.942 16.675 12.628 985 HD11 ILE 124 HD11 ILE 124 21.425 15.078 10.049 986 HD12 ILE 124 HD12 ILE 124 22.986 14.257 10.072 987 HD13 ILE 124 HD13 ILE 124 22.768 15.760 10.969 988 H THR 125 H THR 125 20.386 15.318 15.968 989 HA THR 125 HA THR 125 17.614 16.162 15.667 990 HB THR 125 HB THR 125 18.612 14.994 18.274 991 HG1 THR 125 HG1 THR 125 17.561 13.781 16.059 992 HG21 THR 125 HG21 THR 125 16.886 16.682 18.559 993 HG22 THR 125 HG22 THR 125 16.233 15.081 18.906 994 HG23 THR 125 HG23 THR 125 15.869 15.870 17.370 995 H CYS 126 H CYS 126 18.247 18.282 15.331 996 HA CYS 126 HA CYS 126 20.051 19.742 16.883 997 HB2 CYS 126 HB2 CYS 126 17.676 20.471 15.232 998 HB3 CYS 126 HB3 CYS 126 18.337 21.691 16.314 999 H ASP 127 H ASP 127 20.074 19.942 18.986 1000 HA ASP 127 HA ASP 127 17.664 19.322 20.484 1001 HB2 ASP 127 HB2 ASP 127 20.108 18.386 20.807 1002 HB3 ASP 127 HB3 ASP 127 20.323 19.856 21.750 1003 H ASP 128 H ASP 128 19.699 21.996 19.714 1004 HA ASP 128 HA ASP 128 17.897 23.775 21.169 1005 HB2 ASP 128 HB2 ASP 128 19.791 23.419 22.697 1006 HB3 ASP 128 HB3 ASP 128 20.908 23.896 21.428 1007 H TYR 129 H TYR 129 17.162 25.141 19.692 1008 HA TYR 129 HA TYR 129 18.971 26.769 18.203 1009 HB2 TYR 129 HB2 TYR 129 18.322 26.206 15.972 1010 HB3 TYR 129 HB3 TYR 129 18.784 24.704 16.753 1011 HD1 TYR 129 HD1 TYR 129 15.856 26.729 15.702 1012 HD2 TYR 129 HD2 TYR 129 17.273 22.881 16.829 1013 HE1 TYR 129 HE1 TYR 129 13.728 25.743 14.979 1014 HE2 TYR 129 HE2 TYR 129 15.142 21.883 16.108 1015 HH TYR 129 HH TYR 129 12.741 23.762 14.387 1016 H ASN 130 H ASN 130 17.647 28.346 16.784 1017 HA ASN 130 HA ASN 130 14.936 28.670 17.893 1018 HB2 ASN 130 HB2 ASN 130 16.554 30.475 18.629 1019 HB3 ASN 130 HB3 ASN 130 16.659 30.961 16.936 1020 HD21 ASN 130 HD21 ASN 130 15.720 32.966 17.247 1021 HD22 ASN 130 HD22 ASN 130 14.045 33.157 17.649 1022 H GLU 131 H GLU 131 13.311 28.947 16.441 1023 HA GLU 131 HA GLU 131 14.016 27.980 13.818 1024 HB2 GLU 131 HB2 GLU 131 11.413 27.952 13.619 1025 HB3 GLU 131 HB3 GLU 131 12.246 26.765 14.608 1026 HG2 GLU 131 HG2 GLU 131 10.304 27.558 15.770 1027 HG3 GLU 131 HG3 GLU 131 11.749 28.119 16.605 1028 H LYS 132 H LYS 132 13.193 31.033 15.129 1029 HA LYS 132 HA LYS 132 12.198 32.034 12.586 1030 HB2 LYS 132 HB2 LYS 132 11.444 32.697 15.032 1031 HB3 LYS 132 HB3 LYS 132 12.794 33.816 14.912 1032 HG2 LYS 132 HG2 LYS 132 10.452 33.691 13.022 1033 HG3 LYS 132 HG3 LYS 132 10.680 34.866 14.314 1034 HD2 LYS 132 HD2 LYS 132 12.511 35.866 13.224 1035 HD3 LYS 132 HD3 LYS 132 12.676 34.519 12.098 1036 HE2 LYS 132 HE2 LYS 132 11.681 36.490 11.029 1037 HE3 LYS 132 HE3 LYS 132 10.574 35.119 11.040 1038 HZ1 LYS 132 HZ1 LYS 132 10.489 37.265 13.080 1039 HZ2 LYS 132 HZ2 LYS 132 9.310 36.088 12.759 1040 HZ3 LYS 132 HZ3 LYS 132 9.594 37.332 11.642 1041 H THR 133 H THR 133 14.863 32.829 14.815 1042 HA THR 133 HA THR 133 15.929 34.749 12.979 1043 HB THR 133 HB THR 133 17.744 34.940 14.735 1044 HG1 THR 133 HG1 THR 133 17.428 33.803 16.654 1045 HG21 THR 133 HG21 THR 133 15.842 36.444 14.726 1046 HG22 THR 133 HG22 THR 133 16.210 35.986 16.390 1047 HG23 THR 133 HG23 THR 133 14.846 35.242 15.549 1048 H GLY 134 H GLY 134 16.295 31.411 13.280 1049 HA2 GLY 134 HA2 GLY 134 17.557 29.962 12.015 1050 HA3 GLY 134 HA3 GLY 134 18.182 31.357 11.150 1051 H VAL 135 H VAL 135 18.445 29.884 14.384 1052 HA VAL 135 HA VAL 135 21.347 29.894 14.059 1053 HB VAL 135 HB VAL 135 20.815 31.881 15.409 1054 HG11 VAL 135 HG11 VAL 135 18.739 31.104 16.414 1055 HG12 VAL 135 HG12 VAL 135 19.880 31.643 17.647 1056 HG13 VAL 135 HG13 VAL 135 19.639 29.920 17.362 1057 HG21 VAL 135 HG21 VAL 135 22.922 30.731 15.785 1058 HG22 VAL 135 HG22 VAL 135 22.147 29.675 16.966 1059 HG23 VAL 135 HG23 VAL 135 22.300 31.401 17.295 1060 H TRP 136 H TRP 136 22.386 28.225 15.115 1061 HA TRP 136 HA TRP 136 20.785 26.347 16.661 1062 HB2 TRP 136 HB2 TRP 136 21.729 24.429 15.303 1063 HB3 TRP 136 HB3 TRP 136 20.510 25.401 14.491 1064 HD1 TRP 136 HD1 TRP 136 24.207 24.462 14.307 1065 HE1 TRP 136 HE1 TRP 136 25.160 25.272 12.051 1066 HE3 TRP 136 HE3 TRP 136 20.219 27.229 12.691 1067 HZ2 TRP 136 HZ2 TRP 136 24.323 26.870 9.881 1068 HZ3 TRP 136 HZ3 TRP 136 20.377 28.363 10.514 1069 HH2 TRP 136 HH2 TRP 136 22.388 28.186 9.140 1070 H GLU 137 H GLU 137 21.910 25.389 18.266 1071 HA GLU 137 HA GLU 137 24.827 25.786 18.253 1072 HB2 GLU 137 HB2 GLU 137 22.941 25.945 20.611 1073 HB3 GLU 137 HB3 GLU 137 24.697 25.978 20.725 1074 HG2 GLU 137 HG2 GLU 137 24.566 28.011 19.172 1075 HG3 GLU 137 HG3 GLU 137 22.854 28.040 19.591 1076 H LYS 138 H LYS 138 22.614 24.109 20.419 1077 HA LYS 138 HA LYS 138 24.496 21.897 20.541 1078 HB2 LYS 138 HB2 LYS 138 23.423 23.131 22.541 1079 HB3 LYS 138 HB3 LYS 138 21.975 22.215 22.156 1080 HG2 LYS 138 HG2 LYS 138 23.163 20.137 22.521 1081 HG3 LYS 138 HG3 LYS 138 24.656 21.025 22.834 1082 HD2 LYS 138 HD2 LYS 138 23.760 20.482 24.957 1083 HD3 LYS 138 HD3 LYS 138 23.411 22.195 24.704 1084 HE2 LYS 138 HE2 LYS 138 21.412 21.319 25.538 1085 HE3 LYS 138 HE3 LYS 138 21.152 21.400 23.796 1086 HZ1 LYS 138 HZ1 LYS 138 21.653 19.030 25.477 1087 HZ2 LYS 138 HZ2 LYS 138 21.974 18.983 23.816 1088 HZ3 LYS 138 HZ3 LYS 138 20.396 19.299 24.367 1089 H ARG 139 H ARG 139 24.067 19.868 19.808 1090 HA ARG 139 HA ARG 139 21.346 19.092 19.223 1091 HB2 ARG 139 HB2 ARG 139 21.771 18.464 16.899 1092 HB3 ARG 139 HB3 ARG 139 21.991 20.194 17.124 1093 HG2 ARG 139 HG2 ARG 139 24.342 20.001 17.026 1094 HG3 ARG 139 HG3 ARG 139 24.271 18.242 17.150 1095 HD2 ARG 139 HD2 ARG 139 24.725 18.803 14.877 1096 HD3 ARG 139 HD3 ARG 139 23.072 18.205 14.970 1097 HE ARG 139 HE ARG 139 22.989 20.986 15.186 1098 HH11 ARG 139 HH11 ARG 139 23.848 18.543 12.864 1099 HH12 ARG 139 HH12 ARG 139 23.437 19.497 11.468 1100 HH21 ARG 139 HH21 ARG 139 22.466 22.295 13.364 1101 HH22 ARG 139 HH22 ARG 139 22.675 21.656 11.770 1102 H LYS 140 H LYS 140 21.051 16.949 19.446 1103 HA LYS 140 HA LYS 140 23.373 15.340 20.159 1104 HB2 LYS 140 HB2 LYS 140 21.772 13.642 20.835 1105 HB3 LYS 140 HB3 LYS 140 21.295 15.189 21.527 1106 HG2 LYS 140 HG2 LYS 140 19.444 15.372 20.188 1107 HG3 LYS 140 HG3 LYS 140 20.128 14.361 18.916 1108 HD2 LYS 140 HD2 LYS 140 18.336 13.177 20.012 1109 HD3 LYS 140 HD3 LYS 140 19.878 12.397 20.378 1110 HE2 LYS 140 HE2 LYS 140 18.459 12.573 22.377 1111 HE3 LYS 140 HE3 LYS 140 19.942 13.511 22.549 1112 HZ1 LYS 140 HZ1 LYS 140 17.241 14.577 21.918 1113 HZ2 LYS 140 HZ2 LYS 140 18.650 15.510 21.931 1114 HZ3 LYS 140 HZ3 LYS 140 18.104 14.791 23.360 1115 H ILE 141 H ILE 141 24.121 13.648 18.874 1116 HA ILE 141 HA ILE 141 22.552 13.099 16.509 1117 HB ILE 141 HB ILE 141 24.594 14.083 15.843 1118 HG12 ILE 141 HG12 ILE 141 25.047 11.134 15.582 1119 HG13 ILE 141 HG13 ILE 141 23.800 12.007 14.701 1120 HG21 ILE 141 HG21 ILE 141 26.805 13.218 16.524 1121 HG22 ILE 141 HG22 ILE 141 26.000 12.119 17.646 1122 HG23 ILE 141 HG23 ILE 141 25.879 13.864 17.882 1123 HD11 ILE 141 HD11 ILE 141 25.430 13.352 13.598 1124 HD12 ILE 141 HD12 ILE 141 25.894 11.656 13.420 1125 HD13 ILE 141 HD13 ILE 141 26.713 12.679 14.603 1126 H PHE 142 H PHE 142 21.670 11.239 16.454 1127 HA PHE 142 HA PHE 142 22.564 9.179 18.341 1128 HB2 PHE 142 HB2 PHE 142 20.368 9.698 18.936 1129 HB3 PHE 142 HB3 PHE 142 19.873 9.968 17.267 1130 HD1 PHE 142 HD1 PHE 142 21.553 7.051 18.850 1131 HD2 PHE 142 HD2 PHE 142 18.117 8.596 16.892 1132 HE1 PHE 142 HE1 PHE 142 20.621 4.782 18.707 1133 HE2 PHE 142 HE2 PHE 142 17.173 6.330 16.743 1134 HZ PHE 142 HZ PHE 142 18.430 4.421 17.651 1135 H VAL 143 H VAL 143 23.712 7.650 17.453 1136 HA VAL 143 HA VAL 143 23.189 6.880 14.663 1137 HB VAL 143 HB VAL 143 25.611 6.319 16.383 1138 HG11 VAL 143 HG11 VAL 143 25.223 4.533 14.777 1139 HG12 VAL 143 HG12 VAL 143 26.643 5.479 14.325 1140 HG13 VAL 143 HG13 VAL 143 25.117 5.713 13.472 1141 HG21 VAL 143 HG21 VAL 143 25.416 8.676 15.743 1142 HG22 VAL 143 HG22 VAL 143 25.281 8.202 14.049 1143 HG23 VAL 143 HG23 VAL 143 26.773 7.898 14.936 1144 H ALA 144 H ALA 144 21.863 5.208 14.499 1145 HA ALA 144 HA ALA 144 21.893 3.133 16.570 1146 HB1 ALA 144 HB1 ALA 144 19.920 3.613 14.338 1147 HB2 ALA 144 HB2 ALA 144 19.713 4.086 16.025 1148 HB3 ALA 144 HB3 ALA 144 19.783 2.378 15.589 1149 H THR 145 H THR 145 23.205 1.494 16.207 1150 HA THR 145 HA THR 145 24.055 0.865 13.491 1151 HB THR 145 HB THR 145 24.999 -0.416 16.061 1152 HG1 THR 145 HG1 THR 145 26.041 1.861 14.687 1153 HG21 THR 145 HG21 THR 145 26.310 -0.137 13.350 1154 HG22 THR 145 HG22 THR 145 25.598 -1.613 14.000 1155 HG23 THR 145 HG23 THR 145 27.020 -0.908 14.768 1156 H GLU 146 H GLU 146 23.776 -1.111 12.495 1157 HA GLU 146 HA GLU 146 21.399 -2.485 12.843 1158 HB2 GLU 146 HB2 GLU 146 22.804 -2.478 10.794 1159 HB3 GLU 146 HB3 GLU 146 23.939 -3.550 11.600 1160 HG2 GLU 146 HG2 GLU 146 22.064 -5.191 11.846 1161 HG3 GLU 146 HG3 GLU 146 21.101 -4.138 10.810 1162 H VAL 147 H VAL 147 20.722 -4.163 14.037 1163 HA VAL 147 HA VAL 147 22.708 -5.609 15.673 1164 HB VAL 147 HB VAL 147 19.770 -5.695 16.251 1165 HG11 VAL 147 HG11 VAL 147 21.097 -7.194 17.539 1166 HG12 VAL 147 HG12 VAL 147 20.610 -5.871 18.598 1167 HG13 VAL 147 HG13 VAL 147 22.247 -5.920 17.946 1168 HG21 VAL 147 HG21 VAL 147 21.598 -3.490 17.159 1169 HG22 VAL 147 HG22 VAL 147 19.945 -3.760 17.712 1170 HG23 VAL 147 HG23 VAL 147 20.253 -3.327 16.031 1171 H LYS 148 H LYS 148 22.015 -7.887 16.139 1172 HA LYS 148 HA LYS 148 20.735 -9.072 13.785 1173 HB2 LYS 148 HB2 LYS 148 22.114 -11.157 14.515 1174 HB3 LYS 148 HB3 LYS 148 22.883 -9.873 13.598 1175 HG2 LYS 148 HG2 LYS 148 24.461 -10.218 15.199 1176 HG3 LYS 148 HG3 LYS 148 23.496 -8.978 15.995 1177 HD2 LYS 148 HD2 LYS 148 24.036 -10.787 17.538 1178 HD3 LYS 148 HD3 LYS 148 22.299 -10.709 17.244 1179 HE2 LYS 148 HE2 LYS 148 23.164 -13.019 17.244 1180 HE3 LYS 148 HE3 LYS 148 22.433 -12.563 15.705 1181 HZ1 LYS 148 HZ1 LYS 148 25.356 -12.530 16.255 1182 HZ2 LYS 148 HZ2 LYS 148 24.602 -12.241 14.763 1183 HZ3 LYS 148 HZ3 LYS 148 24.540 -13.784 15.454 1184 H6 2W7 201 H6 2W7 201 18.209 21.899 12.749 1185 H7 2W7 201 H7 2W7 201 16.532 22.315 10.975 1186 H8 2W7 201 H8 2W7 201 16.059 20.567 9.279 1187 H9 2W7 201 H9 2W7 201 17.255 18.399 9.369 1188 H3 2W7 201 H3 2W7 201 21.082 17.237 11.325 1189 H122 2W7 201 H122 2W7 201 20.400 18.228 8.786 1190 H121 2W7 201 H121 2W7 201 20.669 19.604 9.876 1191 H4 2W7 201 H4 2W7 201 22.111 16.627 8.530 1192 HZ12 2W7 201 HZ12 2W7 201 24.729 16.180 10.381 1193 HZ11 2W7 201 HZ11 2W7 201 24.952 17.941 10.334 1194 HY1 2W7 201 HY1 2W7 201 27.120 16.775 10.272 1195 HX22 2W7 201 HX22 2W7 201 27.702 15.380 8.335 1196 HX21 2W7 201 HX21 2W7 201 26.327 14.692 9.234 1197 HY3 2W7 201 HY3 2W7 201 25.892 14.657 6.785 1198 HZ21 2W7 201 HZ21 2W7 201 23.999 14.966 8.339 1199 HZ22 2W7 201 HZ22 2W7 201 23.730 15.842 6.822 1200 HX31 2W7 201 HX31 2W7 201 27.305 16.588 6.204 1201 HX32 2W7 201 HX32 2W7 201 25.660 16.790 5.571 1202 HY2 2W7 201 HY2 2W7 201 26.449 18.873 6.625 1203 HZ32 2W7 201 HZ32 2W7 201 24.051 18.309 6.736 1204 HZ31 2W7 201 HZ31 2W7 201 24.570 19.189 8.184 1205 HX12 2W7 201 HX12 2W7 201 28.006 17.853 8.226 1206 HX11 2W7 201 HX11 2W7 201 26.861 18.917 9.058 Start of MODEL 20 1 HA MET 1 HA MET 1 13.655 -8.433 -7.035 2 HB2 MET 1 HB2 MET 1 11.227 -9.412 -5.520 3 HB3 MET 1 HB3 MET 1 11.433 -9.589 -7.258 4 HG2 MET 1 HG2 MET 1 13.485 -10.899 -6.838 5 HG3 MET 1 HG3 MET 1 13.162 -10.794 -5.109 6 HE1 MET 1 HE1 MET 1 13.612 -13.560 -6.595 7 HE2 MET 1 HE2 MET 1 12.322 -14.532 -5.883 8 HE3 MET 1 HE3 MET 1 13.255 -13.427 -4.876 9 H GLN 2 H GLN 2 10.806 -8.160 -7.872 10 HA GLN 2 HA GLN 2 10.976 -5.452 -8.602 11 HB2 GLN 2 HB2 GLN 2 9.811 -7.193 -9.937 12 HB3 GLN 2 HB3 GLN 2 8.544 -7.231 -8.718 13 HG2 GLN 2 HG2 GLN 2 8.079 -4.852 -9.182 14 HG3 GLN 2 HG3 GLN 2 9.286 -4.896 -10.465 15 HE21 GLN 2 HE21 GLN 2 7.134 -7.555 -9.741 16 HE22 GLN 2 HE22 GLN 2 6.194 -7.438 -11.194 17 H ALA 3 H ALA 3 9.229 -7.083 -6.097 18 HA ALA 3 HA ALA 3 7.816 -4.660 -5.347 19 HB1 ALA 3 HB1 ALA 3 6.601 -6.773 -5.282 20 HB2 ALA 3 HB2 ALA 3 6.683 -6.030 -3.684 21 HB3 ALA 3 HB3 ALA 3 7.733 -7.391 -4.079 22 H LYS 4 H LYS 4 9.693 -3.468 -4.838 23 HA LYS 4 HA LYS 4 10.241 -3.646 -1.992 24 HB2 LYS 4 HB2 LYS 4 12.424 -3.458 -4.078 25 HB3 LYS 4 HB3 LYS 4 12.658 -2.999 -2.400 26 HG2 LYS 4 HG2 LYS 4 11.996 -5.350 -1.782 27 HG3 LYS 4 HG3 LYS 4 12.090 -5.733 -3.504 28 HD2 LYS 4 HD2 LYS 4 14.195 -6.316 -2.594 29 HD3 LYS 4 HD3 LYS 4 14.442 -4.794 -3.453 30 HE2 LYS 4 HE2 LYS 4 15.564 -4.447 -1.448 31 HE3 LYS 4 HE3 LYS 4 13.996 -3.693 -1.157 32 HZ1 LYS 4 HZ1 LYS 4 14.384 -4.962 0.738 33 HZ2 LYS 4 HZ2 LYS 4 15.025 -6.264 -0.138 34 HZ3 LYS 4 HZ3 LYS 4 13.356 -5.957 -0.183 35 HA PRO 5 HA PRO 5 9.414 0.666 -2.576 36 HB2 PRO 5 HB2 PRO 5 10.059 1.555 -0.110 37 HB3 PRO 5 HB3 PRO 5 8.601 0.603 -0.416 38 HG2 PRO 5 HG2 PRO 5 11.242 -0.278 0.684 39 HG3 PRO 5 HG3 PRO 5 9.605 -0.713 1.215 40 HD2 PRO 5 HD2 PRO 5 11.141 -2.317 -0.368 41 HD3 PRO 5 HD3 PRO 5 9.368 -2.309 -0.415 42 H GLN 6 H GLN 6 10.525 2.564 -2.965 43 HA GLN 6 HA GLN 6 13.393 2.606 -2.358 44 HB2 GLN 6 HB2 GLN 6 12.639 2.084 -4.851 45 HB3 GLN 6 HB3 GLN 6 12.421 3.826 -4.910 46 HG2 GLN 6 HG2 GLN 6 14.598 3.221 -5.750 47 HG3 GLN 6 HG3 GLN 6 14.760 4.135 -4.250 48 HE21 GLN 6 HE21 GLN 6 15.516 3.085 -2.400 49 HE22 GLN 6 HE22 GLN 6 16.279 1.538 -2.468 50 H ILE 7 H ILE 7 14.175 5.033 -2.822 51 HA ILE 7 HA ILE 7 12.184 6.690 -1.422 52 HB ILE 7 HB ILE 7 15.191 6.715 -1.135 53 HG12 ILE 7 HG12 ILE 7 13.055 6.092 0.910 54 HG13 ILE 7 HG13 ILE 7 13.881 4.857 -0.038 55 HG21 ILE 7 HG21 ILE 7 14.824 8.412 0.609 56 HG22 ILE 7 HG22 ILE 7 13.112 8.461 0.189 57 HG23 ILE 7 HG23 ILE 7 14.325 8.983 -0.981 58 HD11 ILE 7 HD11 ILE 7 14.767 5.194 2.252 59 HD12 ILE 7 HD12 ILE 7 15.290 6.806 1.758 60 HD13 ILE 7 HD13 ILE 7 15.962 5.374 0.968 61 HA PRO 8 HA PRO 8 13.009 9.460 -4.883 62 HB2 PRO 8 HB2 PRO 8 10.464 10.129 -5.345 63 HB3 PRO 8 HB3 PRO 8 11.097 8.565 -5.869 64 HG2 PRO 8 HG2 PRO 8 9.279 9.212 -3.621 65 HG3 PRO 8 HG3 PRO 8 9.402 7.727 -4.577 66 HD2 PRO 8 HD2 PRO 8 10.538 8.257 -2.010 67 HD3 PRO 8 HD3 PRO 8 10.730 6.796 -2.998 68 H LYS 9 H LYS 9 11.398 11.748 -5.033 69 HA LYS 9 HA LYS 9 12.073 13.080 -2.518 70 HB2 LYS 9 HB2 LYS 9 11.761 15.165 -3.817 71 HB3 LYS 9 HB3 LYS 9 13.009 14.127 -4.475 72 HG2 LYS 9 HG2 LYS 9 11.615 13.458 -6.273 73 HG3 LYS 9 HG3 LYS 9 10.195 14.195 -5.529 74 HD2 LYS 9 HD2 LYS 9 11.155 16.405 -5.826 75 HD3 LYS 9 HD3 LYS 9 12.631 15.698 -6.485 76 HE2 LYS 9 HE2 LYS 9 9.902 15.358 -7.716 77 HE3 LYS 9 HE3 LYS 9 11.054 16.601 -8.202 78 HZ1 LYS 9 HZ1 LYS 9 11.189 14.679 -9.644 79 HZ2 LYS 9 HZ2 LYS 9 11.514 13.665 -8.329 80 HZ3 LYS 9 HZ3 LYS 9 12.632 14.861 -8.775 81 H ASP 10 H ASP 10 9.594 11.404 -3.402 82 HA ASP 10 HA ASP 10 7.424 13.279 -3.169 83 HB2 ASP 10 HB2 ASP 10 7.328 11.083 -4.447 84 HB3 ASP 10 HB3 ASP 10 7.233 10.285 -2.882 85 H LYS 11 H LYS 11 7.447 14.285 -1.275 86 HA LYS 11 HA LYS 11 7.567 12.734 1.199 87 HB2 LYS 11 HB2 LYS 11 7.626 15.086 2.237 88 HB3 LYS 11 HB3 LYS 11 9.045 14.543 1.353 89 HG2 LYS 11 HG2 LYS 11 8.247 15.808 -0.619 90 HG3 LYS 11 HG3 LYS 11 6.910 16.417 0.357 91 HD2 LYS 11 HD2 LYS 11 8.793 18.012 0.207 92 HD3 LYS 11 HD3 LYS 11 8.452 17.513 1.863 93 HE2 LYS 11 HE2 LYS 11 10.305 15.924 1.773 94 HE3 LYS 11 HE3 LYS 11 10.626 16.382 0.101 95 HZ1 LYS 11 HZ1 LYS 11 11.330 18.510 0.754 96 HZ2 LYS 11 HZ2 LYS 11 12.063 17.458 1.861 97 HZ3 LYS 11 HZ3 LYS 11 10.694 18.352 2.314 98 H SER 12 H SER 12 5.284 13.105 -0.802 99 HA SER 12 HA SER 12 3.242 14.245 0.944 100 HB2 SER 12 HB2 SER 12 2.863 13.071 -1.814 101 HB3 SER 12 HB3 SER 12 1.810 14.199 -0.961 102 HG SER 12 HG SER 12 4.363 15.120 -1.223 103 H LYS 13 H LYS 13 4.316 11.229 -0.491 104 HA LYS 13 HA LYS 13 2.295 9.771 1.028 105 HB2 LYS 13 HB2 LYS 13 3.010 7.783 -0.237 106 HB3 LYS 13 HB3 LYS 13 2.455 9.086 -1.274 107 HG2 LYS 13 HG2 LYS 13 4.350 8.143 -2.316 108 HG3 LYS 13 HG3 LYS 13 4.873 9.684 -1.632 109 HD2 LYS 13 HD2 LYS 13 6.561 8.454 -0.802 110 HD3 LYS 13 HD3 LYS 13 5.358 8.047 0.431 111 HE2 LYS 13 HE2 LYS 13 5.789 6.410 -2.069 112 HE3 LYS 13 HE3 LYS 13 6.640 6.099 -0.561 113 HZ1 LYS 13 HZ1 LYS 13 4.737 4.667 -0.754 114 HZ2 LYS 13 HZ2 LYS 13 3.695 5.987 -0.976 115 HZ3 LYS 13 HZ3 LYS 13 4.473 5.759 0.515 116 H VAL 14 H VAL 14 2.924 7.894 2.273 117 HA VAL 14 HA VAL 14 5.362 8.463 3.778 118 HB VAL 14 HB VAL 14 3.222 6.409 4.347 119 HG11 VAL 14 HG11 VAL 14 5.332 5.876 5.396 120 HG12 VAL 14 HG12 VAL 14 4.165 6.399 6.612 121 HG13 VAL 14 HG13 VAL 14 5.435 7.500 6.073 122 HG21 VAL 14 HG21 VAL 14 3.556 9.174 5.501 123 HG22 VAL 14 HG22 VAL 14 2.363 7.978 6.010 124 HG23 VAL 14 HG23 VAL 14 2.290 8.662 4.386 125 H ALA 15 H ALA 15 7.180 7.467 3.164 126 HA ALA 15 HA ALA 15 7.050 4.977 1.673 127 HB1 ALA 15 HB1 ALA 15 9.465 6.546 2.587 128 HB2 ALA 15 HB2 ALA 15 8.686 6.691 1.013 129 HB3 ALA 15 HB3 ALA 15 9.473 5.182 1.469 130 H GLY 16 H GLY 16 8.060 6.161 4.834 131 HA2 GLY 16 HA2 GLY 16 8.352 3.379 5.705 132 HA3 GLY 16 HA3 GLY 16 9.697 4.484 5.938 133 H TYR 17 H TYR 17 8.827 3.287 8.081 134 HA TYR 17 HA TYR 17 7.440 5.389 9.565 135 HB2 TYR 17 HB2 TYR 17 6.408 2.742 9.012 136 HB3 TYR 17 HB3 TYR 17 6.631 2.963 10.744 137 HD1 TYR 17 HD1 TYR 17 5.449 4.772 11.920 138 HD2 TYR 17 HD2 TYR 17 4.704 3.934 7.819 139 HE1 TYR 17 HE1 TYR 17 3.385 6.091 12.043 140 HE2 TYR 17 HE2 TYR 17 2.627 5.247 7.923 141 HH TYR 17 HH TYR 17 0.984 5.957 9.709 142 H ILE 18 H ILE 18 8.671 5.978 11.216 143 HA ILE 18 HA ILE 18 10.740 4.144 12.157 144 HB ILE 18 HB ILE 18 11.465 6.426 11.662 145 HG12 ILE 18 HG12 ILE 18 12.512 6.976 13.861 146 HG13 ILE 18 HG13 ILE 18 11.484 5.760 14.612 147 HG21 ILE 18 HG21 ILE 18 10.710 8.327 13.003 148 HG22 ILE 18 HG22 ILE 18 9.528 7.284 13.797 149 HG23 ILE 18 HG23 ILE 18 9.397 7.609 12.068 150 HD11 ILE 18 HD11 ILE 18 13.710 4.900 14.205 151 HD12 ILE 18 HD12 ILE 18 13.549 5.251 12.484 152 HD13 ILE 18 HD13 ILE 18 12.516 4.035 13.236 153 H GLU 19 H GLU 19 10.363 2.903 13.841 154 HA GLU 19 HA GLU 19 8.411 3.809 15.826 155 HB2 GLU 19 HB2 GLU 19 7.827 1.241 15.949 156 HB3 GLU 19 HB3 GLU 19 7.041 2.305 14.795 157 HG2 GLU 19 HG2 GLU 19 8.588 1.555 13.057 158 HG3 GLU 19 HG3 GLU 19 9.363 0.479 14.219 159 H ILE 20 H ILE 20 9.395 4.075 17.626 160 HA ILE 20 HA ILE 20 11.347 2.061 18.536 161 HB ILE 20 HB ILE 20 11.169 4.953 19.436 162 HG12 ILE 20 HG12 ILE 20 13.215 3.659 17.612 163 HG13 ILE 20 HG13 ILE 20 11.943 4.754 17.085 164 HG21 ILE 20 HG21 ILE 20 12.043 3.485 21.149 165 HG22 ILE 20 HG22 ILE 20 13.344 4.479 20.498 166 HG23 ILE 20 HG23 ILE 20 13.195 2.790 20.009 167 HD11 ILE 20 HD11 ILE 20 14.161 5.470 18.993 168 HD12 ILE 20 HD12 ILE 20 12.924 6.560 18.364 169 HD13 ILE 20 HD13 ILE 20 14.119 5.858 17.274 170 HA PRO 21 HA PRO 21 7.694 1.294 21.130 171 HB2 PRO 21 HB2 PRO 21 8.864 -0.896 22.354 172 HB3 PRO 21 HB3 PRO 21 7.923 -0.955 20.860 173 HG2 PRO 21 HG2 PRO 21 10.887 -0.894 21.237 174 HG3 PRO 21 HG3 PRO 21 9.924 -1.813 20.067 175 HD2 PRO 21 HD2 PRO 21 11.256 0.405 19.363 176 HD3 PRO 21 HD3 PRO 21 9.674 0.009 18.659 177 H ASP 22 H ASP 22 11.040 1.593 22.081 178 HA ASP 22 HA ASP 22 10.614 1.693 24.884 179 HB2 ASP 22 HB2 ASP 22 12.904 2.742 23.211 180 HB3 ASP 22 HB3 ASP 22 12.917 2.606 24.966 181 H ALA 23 H ALA 23 10.154 4.019 22.381 182 HA ALA 23 HA ALA 23 9.890 6.127 24.425 183 HB1 ALA 23 HB1 ALA 23 11.891 6.551 23.130 184 HB2 ALA 23 HB2 ALA 23 10.661 7.776 22.791 185 HB3 ALA 23 HB3 ALA 23 10.957 6.474 21.635 186 H ASP 24 H ASP 24 8.028 4.241 22.776 187 HA ASP 24 HA ASP 24 5.860 4.338 22.073 188 HB2 ASP 24 HB2 ASP 24 5.680 5.662 24.186 189 HB3 ASP 24 HB3 ASP 24 5.916 7.129 23.250 190 H ILE 25 H ILE 25 8.027 5.237 20.342 191 HA ILE 25 HA ILE 25 6.853 7.385 18.740 192 HB ILE 25 HB ILE 25 9.535 6.001 18.519 193 HG12 ILE 25 HG12 ILE 25 8.872 8.794 19.484 194 HG13 ILE 25 HG13 ILE 25 9.246 7.431 20.538 195 HG21 ILE 25 HG21 ILE 25 10.112 7.850 16.973 196 HG22 ILE 25 HG22 ILE 25 8.420 8.350 16.994 197 HG23 ILE 25 HG23 ILE 25 8.867 6.770 16.346 198 HD11 ILE 25 HD11 ILE 25 11.181 8.843 20.267 199 HD12 ILE 25 HD12 ILE 25 11.089 8.679 18.514 200 HD13 ILE 25 HD13 ILE 25 11.470 7.275 19.512 201 H LYS 26 H LYS 26 5.486 6.788 17.161 202 HA LYS 26 HA LYS 26 6.458 4.827 15.236 203 HB2 LYS 26 HB2 LYS 26 3.677 4.730 16.423 204 HB3 LYS 26 HB3 LYS 26 4.119 3.928 14.925 205 HG2 LYS 26 HG2 LYS 26 5.918 2.741 16.310 206 HG3 LYS 26 HG3 LYS 26 5.020 3.319 17.716 207 HD2 LYS 26 HD2 LYS 26 4.273 1.099 17.197 208 HD3 LYS 26 HD3 LYS 26 2.983 2.230 16.780 209 HE2 LYS 26 HE2 LYS 26 3.710 2.151 14.425 210 HE3 LYS 26 HE3 LYS 26 4.955 0.983 14.865 211 HZ1 LYS 26 HZ1 LYS 26 3.056 -0.154 13.972 212 HZ2 LYS 26 HZ2 LYS 26 2.019 0.594 15.081 213 HZ3 LYS 26 HZ3 LYS 26 3.182 -0.514 15.626 214 H GLU 27 H GLU 27 6.953 6.645 14.000 215 HA GLU 27 HA GLU 27 4.663 8.244 13.069 216 HB2 GLU 27 HB2 GLU 27 7.430 9.165 13.845 217 HB3 GLU 27 HB3 GLU 27 6.327 10.156 12.904 218 HG2 GLU 27 HG2 GLU 27 5.707 9.072 15.641 219 HG3 GLU 27 HG3 GLU 27 6.369 10.675 15.330 220 HA PRO 28 HA PRO 28 6.040 7.278 8.996 221 HB2 PRO 28 HB2 PRO 28 5.070 9.370 7.601 222 HB3 PRO 28 HB3 PRO 28 4.019 8.139 8.310 223 HG2 PRO 28 HG2 PRO 28 4.701 10.865 9.346 224 HG3 PRO 28 HG3 PRO 28 3.123 10.058 9.276 225 HD2 PRO 28 HD2 PRO 28 4.624 10.166 11.539 226 HD3 PRO 28 HD3 PRO 28 3.533 8.815 11.169 227 H VAL 29 H VAL 29 7.600 7.773 7.425 228 HA VAL 29 HA VAL 29 9.329 10.073 8.057 229 HB VAL 29 HB VAL 29 10.124 7.507 6.663 230 HG11 VAL 29 HG11 VAL 29 12.412 8.356 6.908 231 HG12 VAL 29 HG12 VAL 29 11.781 9.844 7.614 232 HG13 VAL 29 HG13 VAL 29 11.418 9.442 5.934 233 HG21 VAL 29 HG21 VAL 29 9.668 7.097 9.015 234 HG22 VAL 29 HG22 VAL 29 10.705 8.453 9.465 235 HG23 VAL 29 HG23 VAL 29 11.404 7.022 8.705 236 H TYR 30 H TYR 30 9.665 11.520 6.494 237 HA TYR 30 HA TYR 30 8.111 11.125 4.041 238 HB2 TYR 30 HB2 TYR 30 9.178 13.690 5.235 239 HB3 TYR 30 HB3 TYR 30 8.108 13.560 3.842 240 HD1 TYR 30 HD1 TYR 30 5.884 12.174 4.327 241 HD2 TYR 30 HD2 TYR 30 8.214 14.155 7.288 242 HE1 TYR 30 HE1 TYR 30 3.927 12.238 5.816 243 HE2 TYR 30 HE2 TYR 30 6.261 14.228 8.782 244 HH TYR 30 HH TYR 30 3.509 12.391 8.306 245 HA PRO 31 HA PRO 31 12.025 10.540 1.910 246 HB2 PRO 31 HB2 PRO 31 10.180 10.466 -0.394 247 HB3 PRO 31 HB3 PRO 31 11.365 9.270 0.136 248 HG2 PRO 31 HG2 PRO 31 8.731 8.874 0.432 249 HG3 PRO 31 HG3 PRO 31 9.906 8.283 1.619 250 HD2 PRO 31 HD2 PRO 31 8.090 10.647 1.762 251 HD3 PRO 31 HD3 PRO 31 8.586 9.521 3.051 252 H GLY 32 H GLY 32 13.309 11.981 0.897 253 HA2 GLY 32 HA2 GLY 32 13.289 13.671 -0.999 254 HA3 GLY 32 HA3 GLY 32 12.052 14.473 -0.035 255 HA PRO 33 HA PRO 33 16.436 15.837 1.137 256 HB2 PRO 33 HB2 PRO 33 16.239 18.431 0.361 257 HB3 PRO 33 HB3 PRO 33 16.793 17.146 -0.720 258 HG2 PRO 33 HG2 PRO 33 14.074 18.383 -0.485 259 HG3 PRO 33 HG3 PRO 33 15.004 18.005 -1.950 260 HD2 PRO 33 HD2 PRO 33 13.026 16.403 -1.064 261 HD3 PRO 33 HD3 PRO 33 14.478 15.752 -1.853 262 H ALA 34 H ALA 34 16.933 17.000 2.970 263 HA ALA 34 HA ALA 34 14.709 17.708 4.672 264 HB1 ALA 34 HB1 ALA 34 17.671 17.792 5.236 265 HB2 ALA 34 HB2 ALA 34 16.607 16.421 5.553 266 HB3 ALA 34 HB3 ALA 34 16.374 17.938 6.425 267 H THR 35 H THR 35 14.641 19.711 5.841 268 HA THR 35 HA THR 35 16.086 22.014 5.188 269 HB THR 35 HB THR 35 15.098 21.975 2.999 270 HG1 THR 35 HG1 THR 35 14.209 23.966 2.993 271 HG21 THR 35 HG21 THR 35 13.292 20.412 3.361 272 HG22 THR 35 HG22 THR 35 12.662 21.887 2.627 273 HG23 THR 35 HG23 THR 35 12.430 21.592 4.351 274 HA PRO 36 HA PRO 36 14.202 23.388 8.965 275 HB2 PRO 36 HB2 PRO 36 13.407 25.961 8.063 276 HB3 PRO 36 HB3 PRO 36 14.870 25.544 8.957 277 HG2 PRO 36 HG2 PRO 36 14.479 25.958 6.046 278 HG3 PRO 36 HG3 PRO 36 15.921 26.237 7.040 279 HD2 PRO 36 HD2 PRO 36 15.762 24.158 5.356 280 HD3 PRO 36 HD3 PRO 36 16.573 24.010 6.930 281 H GLU 37 H GLU 37 12.449 24.133 5.976 282 HA GLU 37 HA GLU 37 9.884 24.450 7.087 283 HB2 GLU 37 HB2 GLU 37 10.804 23.568 4.352 284 HB3 GLU 37 HB3 GLU 37 9.123 23.884 4.749 285 HG2 GLU 37 HG2 GLU 37 11.308 25.918 5.075 286 HG3 GLU 37 HG3 GLU 37 10.337 25.753 3.611 287 H GLN 38 H GLN 38 11.528 21.627 5.751 288 HA GLN 38 HA GLN 38 9.298 19.875 6.030 289 HB2 GLN 38 HB2 GLN 38 11.123 19.604 4.355 290 HB3 GLN 38 HB3 GLN 38 12.226 19.214 5.665 291 HG2 GLN 38 HG2 GLN 38 11.490 17.210 4.554 292 HG3 GLN 38 HG3 GLN 38 10.880 17.251 6.207 293 HE21 GLN 38 HE21 GLN 38 9.254 15.794 5.701 294 HE22 GLN 38 HE22 GLN 38 7.857 16.261 4.790 295 H LEU 39 H LEU 39 12.142 20.618 7.955 296 HA LEU 39 HA LEU 39 11.725 18.454 9.798 297 HB2 LEU 39 HB2 LEU 39 13.499 20.884 10.014 298 HB3 LEU 39 HB3 LEU 39 13.543 19.495 11.083 299 HG LEU 39 HG LEU 39 14.210 19.490 8.139 300 HD11 LEU 39 HD11 LEU 39 16.475 18.975 8.900 301 HD12 LEU 39 HD12 LEU 39 15.948 19.128 10.576 302 HD13 LEU 39 HD13 LEU 39 15.929 20.535 9.513 303 HD21 LEU 39 HD21 LEU 39 14.234 17.248 10.151 304 HD22 LEU 39 HD22 LEU 39 14.868 17.159 8.507 305 HD23 LEU 39 HD23 LEU 39 13.142 17.412 8.775 306 H ASN 40 H ASN 40 10.456 21.583 9.433 307 HA ASN 40 HA ASN 40 9.697 21.978 12.180 308 HB2 ASN 40 HB2 ASN 40 9.966 23.820 10.473 309 HB3 ASN 40 HB3 ASN 40 8.501 23.233 9.694 310 HD21 ASN 40 HD21 ASN 40 7.393 25.121 10.020 311 HD22 ASN 40 HD22 ASN 40 6.840 25.626 11.586 312 H ARG 41 H ARG 41 8.618 20.146 9.544 313 HA ARG 41 HA ARG 41 5.892 19.827 10.510 314 HB2 ARG 41 HB2 ARG 41 7.298 18.483 8.195 315 HB3 ARG 41 HB3 ARG 41 5.571 18.462 8.518 316 HG2 ARG 41 HG2 ARG 41 7.169 20.931 7.881 317 HG3 ARG 41 HG3 ARG 41 6.203 20.018 6.722 318 HD2 ARG 41 HD2 ARG 41 5.115 21.278 9.233 319 HD3 ARG 41 HD3 ARG 41 5.053 22.023 7.635 320 HE ARG 41 HE ARG 41 3.916 19.394 7.674 321 HH11 ARG 41 HH11 ARG 41 3.279 22.737 8.456 322 HH12 ARG 41 HH12 ARG 41 1.575 22.626 8.126 323 HH21 ARG 41 HH21 ARG 41 1.671 19.208 7.280 324 HH22 ARG 41 HH22 ARG 41 0.650 20.608 7.480 325 H GLY 42 H GLY 42 8.832 17.904 10.016 326 HA2 GLY 42 HA2 GLY 42 8.398 16.270 12.277 327 HA3 GLY 42 HA3 GLY 42 7.836 15.431 10.840 328 H VAL 43 H VAL 43 9.337 13.883 10.604 329 HA VAL 43 HA VAL 43 12.156 14.718 10.495 330 HB VAL 43 HB VAL 43 10.978 12.016 11.173 331 HG11 VAL 43 HG11 VAL 43 13.874 12.814 10.976 332 HG12 VAL 43 HG12 VAL 43 13.017 11.728 9.882 333 HG13 VAL 43 HG13 VAL 43 13.262 11.269 11.568 334 HG21 VAL 43 HG21 VAL 43 12.054 12.397 13.349 335 HG22 VAL 43 HG22 VAL 43 10.818 13.600 12.981 336 HG23 VAL 43 HG23 VAL 43 12.525 14.012 12.813 337 H SER 44 H SER 44 13.341 14.263 8.720 338 HA SER 44 HA SER 44 12.289 12.556 6.628 339 HB2 SER 44 HB2 SER 44 12.782 15.511 6.159 340 HB3 SER 44 HB3 SER 44 12.390 14.321 4.910 341 HG SER 44 HG SER 44 10.606 14.173 6.915 342 H PHE 45 H PHE 45 13.920 12.470 4.765 343 HA PHE 45 HA PHE 45 16.437 11.866 5.962 344 HB2 PHE 45 HB2 PHE 45 15.548 11.813 3.073 345 HB3 PHE 45 HB3 PHE 45 17.098 11.205 3.648 346 HD1 PHE 45 HD1 PHE 45 17.013 9.404 5.492 347 HD2 PHE 45 HD2 PHE 45 13.714 10.402 2.993 348 HE1 PHE 45 HE1 PHE 45 15.975 7.234 6.000 349 HE2 PHE 45 HE2 PHE 45 12.675 8.230 3.492 350 HZ PHE 45 HZ PHE 45 13.806 6.646 5.002 351 H ALA 46 H ALA 46 18.280 12.985 6.000 352 HA ALA 46 HA ALA 46 18.375 15.690 5.056 353 HB1 ALA 46 HB1 ALA 46 20.682 15.670 5.859 354 HB2 ALA 46 HB2 ALA 46 20.605 13.921 6.071 355 HB3 ALA 46 HB3 ALA 46 19.600 14.972 7.067 356 H GLU 47 H GLU 47 19.717 12.600 4.108 357 HA GLU 47 HA GLU 47 19.998 13.638 1.379 358 HB2 GLU 47 HB2 GLU 47 21.770 11.538 2.658 359 HB3 GLU 47 HB3 GLU 47 21.883 12.122 1.004 360 HG2 GLU 47 HG2 GLU 47 22.343 14.407 1.984 361 HG3 GLU 47 HG3 GLU 47 22.517 13.596 3.540 362 H GLU 48 H GLU 48 18.523 12.706 0.152 363 HA GLU 48 HA GLU 48 16.872 10.604 0.875 364 HB2 GLU 48 HB2 GLU 48 17.657 11.306 -1.958 365 HB3 GLU 48 HB3 GLU 48 16.187 10.489 -1.446 366 HG2 GLU 48 HG2 GLU 48 15.380 12.590 -1.759 367 HG3 GLU 48 HG3 GLU 48 15.838 12.699 -0.062 368 H ASN 49 H ASN 49 19.907 10.569 -0.874 369 HA ASN 49 HA ASN 49 21.501 8.982 -1.165 370 HB2 ASN 49 HB2 ASN 49 20.852 8.356 1.210 371 HB3 ASN 49 HB3 ASN 49 19.860 7.080 0.503 372 HD21 ASN 49 HD21 ASN 49 23.088 8.257 1.022 373 HD22 ASN 49 HD22 ASN 49 23.896 6.787 0.608 374 H GLU 50 H GLU 50 18.206 8.267 -1.761 375 HA GLU 50 HA GLU 50 17.197 7.505 -3.623 376 HB2 GLU 50 HB2 GLU 50 19.155 8.149 -4.969 377 HB3 GLU 50 HB3 GLU 50 19.902 6.603 -4.594 378 HG2 GLU 50 HG2 GLU 50 18.149 5.433 -5.781 379 HG3 GLU 50 HG3 GLU 50 17.322 6.955 -6.101 380 H SER 51 H SER 51 19.210 5.660 -1.694 381 HA SER 51 HA SER 51 17.498 3.320 -2.129 382 HB2 SER 51 HB2 SER 51 20.500 3.280 -1.746 383 HB3 SER 51 HB3 SER 51 19.472 1.848 -1.717 384 HG SER 51 HG SER 51 20.536 3.039 -3.826 385 H LEU 52 H LEU 52 16.894 2.174 -0.380 386 HA LEU 52 HA LEU 52 17.433 3.416 2.219 387 HB2 LEU 52 HB2 LEU 52 15.360 1.869 2.783 388 HB3 LEU 52 HB3 LEU 52 15.161 3.454 2.059 389 HG LEU 52 HG LEU 52 15.115 2.260 -0.192 390 HD11 LEU 52 HD11 LEU 52 14.395 -0.083 -0.153 391 HD12 LEU 52 HD12 LEU 52 14.667 -0.128 1.588 392 HD13 LEU 52 HD13 LEU 52 16.025 0.119 0.492 393 HD21 LEU 52 HD21 LEU 52 13.147 3.218 0.886 394 HD22 LEU 52 HD22 LEU 52 12.893 1.703 1.757 395 HD23 LEU 52 HD23 LEU 52 12.758 1.744 -0.002 396 H ASP 53 H ASP 53 18.077 0.690 0.347 397 HA ASP 53 HA ASP 53 18.696 -0.976 2.657 398 HB2 ASP 53 HB2 ASP 53 19.039 -2.750 0.946 399 HB3 ASP 53 HB3 ASP 53 17.418 -2.080 0.934 400 H ASP 54 H ASP 54 20.150 1.449 1.762 401 HA ASP 54 HA ASP 54 22.769 0.458 1.003 402 HB2 ASP 54 HB2 ASP 54 21.727 2.740 0.343 403 HB3 ASP 54 HB3 ASP 54 22.125 3.244 1.980 404 H GLN 55 H GLN 55 24.427 1.992 2.645 405 HA GLN 55 HA GLN 55 23.880 0.799 5.284 406 HB2 GLN 55 HB2 GLN 55 26.297 0.623 5.607 407 HB3 GLN 55 HB3 GLN 55 25.770 -0.269 4.189 408 HG2 GLN 55 HG2 GLN 55 26.567 1.504 2.745 409 HG3 GLN 55 HG3 GLN 55 27.036 2.458 4.152 410 HE21 GLN 55 HE21 GLN 55 28.796 1.808 5.384 411 HE22 GLN 55 HE22 GLN 55 29.992 0.716 4.769 412 H ASN 56 H ASN 56 24.813 3.697 3.564 413 HA ASN 56 HA ASN 56 25.074 5.028 6.168 414 HB2 ASN 56 HB2 ASN 56 26.434 6.742 5.218 415 HB3 ASN 56 HB3 ASN 56 27.102 5.197 4.734 416 HD21 ASN 56 HD21 ASN 56 25.319 4.700 2.534 417 HD22 ASN 56 HD22 ASN 56 25.694 5.854 1.307 418 H ILE 57 H ILE 57 23.112 5.567 6.701 419 HA ILE 57 HA ILE 57 21.558 7.233 4.827 420 HB ILE 57 HB ILE 57 20.665 5.269 6.929 421 HG12 ILE 57 HG12 ILE 57 21.093 4.343 4.726 422 HG13 ILE 57 HG13 ILE 57 19.368 4.306 5.071 423 HG21 ILE 57 HG21 ILE 57 19.048 7.459 5.668 424 HG22 ILE 57 HG22 ILE 57 19.259 7.088 7.385 425 HG23 ILE 57 HG23 ILE 57 18.319 6.007 6.355 426 HD11 ILE 57 HD11 ILE 57 19.767 4.961 2.778 427 HD12 ILE 57 HD12 ILE 57 20.791 6.294 3.312 428 HD13 ILE 57 HD13 ILE 57 19.067 6.306 3.681 429 H SER 58 H SER 58 20.869 9.220 5.547 430 HA SER 58 HA SER 58 21.337 9.844 8.384 431 HB2 SER 58 HB2 SER 58 23.113 10.825 6.884 432 HB3 SER 58 HB3 SER 58 21.848 11.779 6.111 433 HG SER 58 HG SER 58 21.995 11.884 8.895 434 H ILE 59 H ILE 59 19.442 10.249 9.294 435 HA ILE 59 HA ILE 59 17.331 11.532 7.680 436 HB ILE 59 HB ILE 59 16.750 10.093 10.250 437 HG12 ILE 59 HG12 ILE 59 16.967 8.728 7.555 438 HG13 ILE 59 HG13 ILE 59 18.143 8.555 8.852 439 HG21 ILE 59 HG21 ILE 59 14.995 11.404 9.141 440 HG22 ILE 59 HG22 ILE 59 14.602 9.685 9.165 441 HG23 ILE 59 HG23 ILE 59 15.197 10.431 7.682 442 HD11 ILE 59 HD11 ILE 59 15.257 7.717 8.936 443 HD12 ILE 59 HD12 ILE 59 16.396 7.582 10.277 444 HD13 ILE 59 HD13 ILE 59 16.658 6.656 8.797 445 H ALA 60 H ALA 60 16.622 13.512 8.341 446 HA ALA 60 HA ALA 60 17.891 14.594 10.764 447 HB1 ALA 60 HB1 ALA 60 17.519 16.795 9.793 448 HB2 ALA 60 HB2 ALA 60 16.673 16.066 8.427 449 HB3 ALA 60 HB3 ALA 60 18.395 15.759 8.667 450 H GLY 61 H GLY 61 16.702 15.618 12.358 451 HA2 GLY 61 HA2 GLY 61 13.808 15.811 12.035 452 HA3 GLY 61 HA3 GLY 61 14.393 14.707 13.272 453 H HIS 62 H HIS 62 12.761 16.942 13.770 454 HA HIS 62 HA HIS 62 14.602 18.612 15.350 455 HB2 HIS 62 HB2 HIS 62 13.609 19.859 13.440 456 HB3 HIS 62 HB3 HIS 62 12.005 19.495 14.063 457 HD1 HIS 62 HD1 HIS 62 11.033 21.218 15.554 458 HD2 HIS 62 HD2 HIS 62 15.172 21.487 15.369 459 HE1 HIS 62 HE1 HIS 62 11.631 23.267 16.875 460 H THR 63 H THR 63 13.952 19.108 17.457 461 HA THR 63 HA THR 63 11.660 17.515 18.421 462 HB THR 63 HB THR 63 12.773 17.451 20.608 463 HG1 THR 63 HG1 THR 63 14.699 19.043 19.250 464 HG21 THR 63 HG21 THR 63 13.277 15.655 19.046 465 HG22 THR 63 HG22 THR 63 14.703 16.045 20.006 466 HG23 THR 63 HG23 THR 63 14.579 16.611 18.341 467 H PHE 64 H PHE 64 10.650 18.427 20.466 468 HA PHE 64 HA PHE 64 10.974 21.264 20.899 469 HB2 PHE 64 HB2 PHE 64 9.265 20.936 18.987 470 HB3 PHE 64 HB3 PHE 64 8.192 20.311 20.234 471 HD1 PHE 64 HD1 PHE 64 10.066 23.274 19.104 472 HD2 PHE 64 HD2 PHE 64 7.085 21.772 21.742 473 HE1 PHE 64 HE1 PHE 64 9.397 25.577 19.653 474 HE2 PHE 64 HE2 PHE 64 6.409 24.072 22.294 475 HZ PHE 64 HZ PHE 64 7.566 25.978 21.247 476 H ILE 65 H ILE 65 10.470 21.802 22.982 477 HA ILE 65 HA ILE 65 10.415 19.662 24.820 478 HB ILE 65 HB ILE 65 10.116 22.619 25.279 479 HG12 ILE 65 HG12 ILE 65 12.462 22.231 26.297 480 HG13 ILE 65 HG13 ILE 65 12.442 20.712 25.412 481 HG21 ILE 65 HG21 ILE 65 10.488 20.427 27.311 482 HG22 ILE 65 HG22 ILE 65 9.064 21.448 27.115 483 HG23 ILE 65 HG23 ILE 65 10.589 22.155 27.650 484 HD11 ILE 65 HD11 ILE 65 12.169 23.444 24.181 485 HD12 ILE 65 HD12 ILE 65 12.243 21.909 23.314 486 HD13 ILE 65 HD13 ILE 65 13.644 22.478 24.223 487 H ASP 66 H ASP 66 7.993 22.104 23.981 488 HA ASP 66 HA ASP 66 6.109 21.096 25.899 489 HB2 ASP 66 HB2 ASP 66 6.194 23.480 25.357 490 HB3 ASP 66 HB3 ASP 66 5.761 23.127 23.688 491 H ARG 67 H ARG 67 6.727 20.521 22.531 492 HA ARG 67 HA ARG 67 4.067 19.349 22.178 493 HB2 ARG 67 HB2 ARG 67 6.192 20.017 20.138 494 HB3 ARG 67 HB3 ARG 67 4.632 19.299 19.762 495 HG2 ARG 67 HG2 ARG 67 4.999 21.975 21.085 496 HG3 ARG 67 HG3 ARG 67 4.748 21.734 19.357 497 HD2 ARG 67 HD2 ARG 67 2.839 20.796 21.489 498 HD3 ARG 67 HD3 ARG 67 2.690 22.332 20.638 499 HE ARG 67 HE ARG 67 2.109 19.684 19.599 500 HH11 ARG 67 HH11 ARG 67 2.773 23.042 18.826 501 HH12 ARG 67 HH12 ARG 67 1.932 22.989 17.306 502 HH21 ARG 67 HH21 ARG 67 0.997 19.617 17.584 503 HH22 ARG 67 HH22 ARG 67 0.918 21.054 16.610 504 HA PRO 68 HA PRO 68 6.184 15.373 22.664 505 HB2 PRO 68 HB2 PRO 68 3.493 14.329 23.012 506 HB3 PRO 68 HB3 PRO 68 4.802 14.413 24.195 507 HG2 PRO 68 HG2 PRO 68 2.537 15.901 24.378 508 HG3 PRO 68 HG3 PRO 68 4.099 16.439 25.015 509 HD2 PRO 68 HD2 PRO 68 2.733 17.186 22.457 510 HD3 PRO 68 HD3 PRO 68 3.613 18.218 23.608 511 H ASN 69 H ASN 69 4.132 16.672 20.438 512 HA ASN 69 HA ASN 69 3.298 14.345 19.001 513 HB2 ASN 69 HB2 ASN 69 3.428 17.152 17.905 514 HB3 ASN 69 HB3 ASN 69 2.338 15.852 17.430 515 HD21 ASN 69 HD21 ASN 69 0.722 15.181 18.951 516 HD22 ASN 69 HD22 ASN 69 0.113 16.310 20.124 517 H TYR 70 H TYR 70 6.070 16.384 19.012 518 HA TYR 70 HA TYR 70 7.146 15.458 16.532 519 HB2 TYR 70 HB2 TYR 70 8.311 16.898 18.909 520 HB3 TYR 70 HB3 TYR 70 9.327 16.348 17.586 521 HD1 TYR 70 HD1 TYR 70 6.638 18.667 18.553 522 HD2 TYR 70 HD2 TYR 70 9.297 17.475 15.455 523 HE1 TYR 70 HE1 TYR 70 6.121 20.732 17.323 524 HE2 TYR 70 HE2 TYR 70 8.781 19.535 14.210 525 HH TYR 70 HH TYR 70 7.087 21.233 14.052 526 H GLN 71 H GLN 71 7.773 13.471 16.196 527 HA GLN 71 HA GLN 71 7.772 11.408 17.982 528 HB2 GLN 71 HB2 GLN 71 9.292 10.256 16.283 529 HB3 GLN 71 HB3 GLN 71 7.746 10.868 15.711 530 HG2 GLN 71 HG2 GLN 71 9.098 12.985 15.084 531 HG3 GLN 71 HG3 GLN 71 10.495 11.920 15.214 532 HE21 GLN 71 HE21 GLN 71 7.585 12.641 13.462 533 HE22 GLN 71 HE22 GLN 71 7.937 11.650 12.086 534 H PHE 72 H PHE 72 10.568 13.444 17.172 535 HA PHE 72 HA PHE 72 12.373 11.798 18.690 536 HB2 PHE 72 HB2 PHE 72 12.679 14.443 17.287 537 HB3 PHE 72 HB3 PHE 72 13.972 13.745 18.253 538 HD1 PHE 72 HD1 PHE 72 12.142 11.131 16.772 539 HD2 PHE 72 HD2 PHE 72 15.060 14.106 15.902 540 HE1 PHE 72 HE1 PHE 72 12.896 9.820 14.830 541 HE2 PHE 72 HE2 PHE 72 15.816 12.801 13.960 542 HZ PHE 72 HZ PHE 72 14.731 10.657 13.421 543 H THR 73 H THR 73 10.051 13.910 19.653 544 HA THR 73 HA THR 73 11.407 15.432 21.625 545 HB THR 73 HB THR 73 8.507 14.737 21.200 546 HG1 THR 73 HG1 THR 73 8.641 17.200 20.993 547 HG21 THR 73 HG21 THR 73 9.600 16.577 23.326 548 HG22 THR 73 HG22 THR 73 8.847 15.009 23.617 549 HG23 THR 73 HG23 THR 73 7.898 16.328 22.926 550 H ASN 74 H ASN 74 9.932 12.234 21.612 551 HA ASN 74 HA ASN 74 10.352 12.000 24.505 552 HB2 ASN 74 HB2 ASN 74 8.214 11.205 23.245 553 HB3 ASN 74 HB3 ASN 74 9.193 9.822 22.789 554 HD21 ASN 74 HD21 ASN 74 7.771 8.488 23.968 555 HD22 ASN 74 HD22 ASN 74 7.841 8.406 25.698 556 H LEU 75 H LEU 75 12.413 11.926 22.206 557 HA LEU 75 HA LEU 75 13.415 9.298 22.005 558 HB2 LEU 75 HB2 LEU 75 13.931 11.484 20.638 559 HB3 LEU 75 HB3 LEU 75 15.246 11.636 21.789 560 HG LEU 75 HG LEU 75 15.988 9.327 21.124 561 HD11 LEU 75 HD11 LEU 75 13.869 8.544 20.211 562 HD12 LEU 75 HD12 LEU 75 15.159 8.439 19.011 563 HD13 LEU 75 HD13 LEU 75 13.978 9.745 18.922 564 HD21 LEU 75 HD21 LEU 75 17.109 11.276 20.247 565 HD22 LEU 75 HD22 LEU 75 15.890 11.439 18.984 566 HD23 LEU 75 HD23 LEU 75 16.968 10.044 18.990 567 H LYS 76 H LYS 76 13.541 11.519 24.574 568 HA LYS 76 HA LYS 76 16.022 10.737 25.726 569 HB2 LYS 76 HB2 LYS 76 15.317 11.911 27.708 570 HB3 LYS 76 HB3 LYS 76 14.875 12.860 26.298 571 HG2 LYS 76 HG2 LYS 76 12.884 11.038 27.596 572 HG3 LYS 76 HG3 LYS 76 13.202 12.640 28.249 573 HD2 LYS 76 HD2 LYS 76 12.783 13.441 25.820 574 HD3 LYS 76 HD3 LYS 76 12.003 11.870 25.618 575 HE2 LYS 76 HE2 LYS 76 11.288 13.981 27.655 576 HE3 LYS 76 HE3 LYS 76 10.372 13.579 26.206 577 HZ1 LYS 76 HZ1 LYS 76 10.867 11.753 28.500 578 HZ2 LYS 76 HZ2 LYS 76 9.961 11.379 27.110 579 HZ3 LYS 76 HZ3 LYS 76 9.415 12.572 28.184 580 H ALA 77 H ALA 77 12.869 9.358 25.674 581 HA ALA 77 HA ALA 77 13.226 7.688 27.991 582 HB1 ALA 77 HB1 ALA 77 11.200 7.497 25.761 583 HB2 ALA 77 HB2 ALA 77 10.991 8.381 27.273 584 HB3 ALA 77 HB3 ALA 77 11.142 6.622 27.291 585 H ALA 78 H ALA 78 14.532 7.660 24.949 586 HA ALA 78 HA ALA 78 14.741 4.740 24.832 587 HB1 ALA 78 HB1 ALA 78 15.477 5.020 22.549 588 HB2 ALA 78 HB2 ALA 78 15.500 6.773 22.741 589 HB3 ALA 78 HB3 ALA 78 13.968 5.901 22.799 590 H LYS 79 H LYS 79 16.596 3.728 25.199 591 HA LYS 79 HA LYS 79 18.904 5.385 25.951 592 HB2 LYS 79 HB2 LYS 79 19.545 3.346 27.364 593 HB3 LYS 79 HB3 LYS 79 18.226 4.346 27.929 594 HG2 LYS 79 HG2 LYS 79 17.737 1.859 26.323 595 HG3 LYS 79 HG3 LYS 79 17.958 1.808 28.072 596 HD2 LYS 79 HD2 LYS 79 16.068 3.319 28.368 597 HD3 LYS 79 HD3 LYS 79 15.869 3.437 26.622 598 HE2 LYS 79 HE2 LYS 79 15.521 0.964 28.309 599 HE3 LYS 79 HE3 LYS 79 14.240 1.908 27.551 600 HZ1 LYS 79 HZ1 LYS 79 16.084 -0.010 26.370 601 HZ2 LYS 79 HZ2 LYS 79 15.705 1.345 25.426 602 HZ3 LYS 79 HZ3 LYS 79 14.466 0.327 25.974 603 H LYS 80 H LYS 80 20.937 3.873 26.078 604 HA LYS 80 HA LYS 80 21.815 3.580 23.466 605 HB2 LYS 80 HB2 LYS 80 23.862 2.837 24.347 606 HB3 LYS 80 HB3 LYS 80 23.186 3.868 25.598 607 HG2 LYS 80 HG2 LYS 80 23.016 0.858 25.591 608 HG3 LYS 80 HG3 LYS 80 24.230 1.793 26.458 609 HD2 LYS 80 HD2 LYS 80 21.291 2.227 26.902 610 HD3 LYS 80 HD3 LYS 80 22.186 0.976 27.768 611 HE2 LYS 80 HE2 LYS 80 22.923 3.899 27.745 612 HE3 LYS 80 HE3 LYS 80 21.974 3.121 29.012 613 HZ1 LYS 80 HZ1 LYS 80 23.852 1.646 29.443 614 HZ2 LYS 80 HZ2 LYS 80 24.292 3.273 29.638 615 HZ3 LYS 80 HZ3 LYS 80 24.763 2.430 28.248 616 H GLY 81 H GLY 81 20.053 1.340 25.297 617 HA2 GLY 81 HA2 GLY 81 20.718 -0.777 23.351 618 HA3 GLY 81 HA3 GLY 81 20.450 -1.123 25.053 619 H SER 82 H SER 82 18.642 1.021 22.897 620 HA SER 82 HA SER 82 16.222 -0.429 23.564 621 HB2 SER 82 HB2 SER 82 16.527 2.151 22.012 622 HB3 SER 82 HB3 SER 82 15.050 1.504 22.730 623 HG SER 82 HG SER 82 17.234 2.763 23.923 624 H MET 83 H MET 83 14.659 -0.148 21.523 625 HA MET 83 HA MET 83 16.046 -1.498 19.304 626 HB2 MET 83 HB2 MET 83 14.645 -3.042 20.592 627 HB3 MET 83 HB3 MET 83 13.253 -1.995 20.353 628 HG2 MET 83 HG2 MET 83 12.911 -3.639 18.791 629 HG3 MET 83 HG3 MET 83 13.688 -2.380 17.842 630 HE1 MET 83 HE1 MET 83 16.915 -2.763 18.328 631 HE2 MET 83 HE2 MET 83 15.947 -2.426 16.894 632 HE3 MET 83 HE3 MET 83 17.079 -3.777 16.889 633 H VAL 84 H VAL 84 16.229 -0.001 17.756 634 HA VAL 84 HA VAL 84 13.977 1.791 17.241 635 HB VAL 84 HB VAL 84 16.782 1.829 16.102 636 HG11 VAL 84 HG11 VAL 84 16.184 4.111 15.345 637 HG12 VAL 84 HG12 VAL 84 14.520 3.809 15.854 638 HG13 VAL 84 HG13 VAL 84 15.237 2.848 14.560 639 HG21 VAL 84 HG21 VAL 84 17.082 3.823 17.545 640 HG22 VAL 84 HG22 VAL 84 16.831 2.335 18.458 641 HG23 VAL 84 HG23 VAL 84 15.510 3.489 18.277 642 H TYR 85 H TYR 85 12.499 0.889 15.955 643 HA TYR 85 HA TYR 85 13.330 -0.923 13.830 644 HB2 TYR 85 HB2 TYR 85 10.620 -0.076 14.852 645 HB3 TYR 85 HB3 TYR 85 10.823 -1.052 13.403 646 HD1 TYR 85 HD1 TYR 85 12.315 -3.210 13.748 647 HD2 TYR 85 HD2 TYR 85 10.264 -1.147 16.847 648 HE1 TYR 85 HE1 TYR 85 12.337 -5.254 15.121 649 HE2 TYR 85 HE2 TYR 85 10.280 -3.177 18.226 650 HH TYR 85 HH TYR 85 10.487 -5.554 17.999 651 H PHE 86 H PHE 86 13.894 -0.141 11.940 652 HA PHE 86 HA PHE 86 12.597 2.324 11.019 653 HB2 PHE 86 HB2 PHE 86 15.083 2.334 11.032 654 HB3 PHE 86 HB3 PHE 86 15.071 0.985 9.899 655 HD1 PHE 86 HD1 PHE 86 13.268 4.244 10.147 656 HD2 PHE 86 HD2 PHE 86 15.633 1.624 7.766 657 HE1 PHE 86 HE1 PHE 86 13.131 5.831 8.269 658 HE2 PHE 86 HE2 PHE 86 15.496 3.203 5.886 659 HZ PHE 86 HZ PHE 86 14.246 5.310 6.135 660 H LYS 87 H LYS 87 10.744 1.710 10.154 661 HA LYS 87 HA LYS 87 10.674 -0.586 8.335 662 HB2 LYS 87 HB2 LYS 87 8.987 -0.258 10.217 663 HB3 LYS 87 HB3 LYS 87 8.358 1.097 9.300 664 HG2 LYS 87 HG2 LYS 87 7.518 -0.260 7.622 665 HG3 LYS 87 HG3 LYS 87 8.575 -1.610 8.049 666 HD2 LYS 87 HD2 LYS 87 6.332 -2.124 8.749 667 HD3 LYS 87 HD3 LYS 87 7.327 -1.850 10.178 668 HE2 LYS 87 HE2 LYS 87 5.363 -0.696 10.649 669 HE3 LYS 87 HE3 LYS 87 6.451 0.567 10.071 670 HZ1 LYS 87 HZ1 LYS 87 4.207 0.709 9.121 671 HZ2 LYS 87 HZ2 LYS 87 4.420 -0.809 8.393 672 HZ3 LYS 87 HZ3 LYS 87 5.394 0.496 7.935 673 H VAL 88 H VAL 88 10.047 -0.382 6.213 674 HA VAL 88 HA VAL 88 9.112 2.098 5.147 675 HB VAL 88 HB VAL 88 11.454 2.701 5.264 676 HG11 VAL 88 HG11 VAL 88 12.019 0.239 3.620 677 HG12 VAL 88 HG12 VAL 88 12.457 0.486 5.310 678 HG13 VAL 88 HG13 VAL 88 13.191 1.482 4.053 679 HG21 VAL 88 HG21 VAL 88 10.661 2.060 2.429 680 HG22 VAL 88 HG22 VAL 88 11.861 3.253 2.932 681 HG23 VAL 88 HG23 VAL 88 10.162 3.481 3.346 682 H GLY 89 H GLY 89 7.730 1.580 3.606 683 HA2 GLY 89 HA2 GLY 89 6.474 0.230 2.235 684 HA3 GLY 89 HA3 GLY 89 8.002 -0.452 1.691 685 H ASN 90 H ASN 90 8.309 -2.535 2.088 686 HA ASN 90 HA ASN 90 6.774 -3.792 4.258 687 HB2 ASN 90 HB2 ASN 90 6.503 -4.647 1.888 688 HB3 ASN 90 HB3 ASN 90 8.176 -5.186 1.972 689 HD21 ASN 90 HD21 ASN 90 5.818 -5.264 4.586 690 HD22 ASN 90 HD22 ASN 90 5.757 -6.985 4.726 691 H GLU 91 H GLU 91 9.659 -2.436 3.835 692 HA GLU 91 HA GLU 91 11.389 -4.542 4.828 693 HB2 GLU 91 HB2 GLU 91 11.946 -1.601 4.381 694 HB3 GLU 91 HB3 GLU 91 13.149 -2.836 4.720 695 HG2 GLU 91 HG2 GLU 91 11.369 -2.894 2.303 696 HG3 GLU 91 HG3 GLU 91 12.951 -2.117 2.324 697 H THR 92 H THR 92 12.173 -4.714 6.886 698 HA THR 92 HA THR 92 11.648 -2.538 8.772 699 HB THR 92 HB THR 92 10.974 -5.419 9.416 700 HG1 THR 92 HG1 THR 92 9.552 -3.602 8.114 701 HG21 THR 92 HG21 THR 92 10.045 -4.481 11.488 702 HG22 THR 92 HG22 THR 92 10.592 -2.874 11.008 703 HG23 THR 92 HG23 THR 92 11.769 -4.141 11.353 704 H ARG 93 H ARG 93 13.724 -1.997 9.058 705 HA ARG 93 HA ARG 93 15.622 -4.131 9.753 706 HB2 ARG 93 HB2 ARG 93 17.340 -2.251 9.125 707 HB3 ARG 93 HB3 ARG 93 16.565 -3.200 7.866 708 HG2 ARG 93 HG2 ARG 93 14.825 -1.217 7.919 709 HG3 ARG 93 HG3 ARG 93 16.198 -0.340 8.592 710 HD2 ARG 93 HD2 ARG 93 16.280 -1.910 6.019 711 HD3 ARG 93 HD3 ARG 93 15.968 -0.180 6.106 712 HE ARG 93 HE ARG 93 18.234 -0.053 7.198 713 HH11 ARG 93 HH11 ARG 93 17.403 -2.594 4.922 714 HH12 ARG 93 HH12 ARG 93 19.042 -2.832 4.406 715 HH21 ARG 93 HH21 ARG 93 20.384 -0.341 6.463 716 HH22 ARG 93 HH22 ARG 93 20.734 -1.551 5.276 717 H LYS 94 H LYS 94 16.774 -3.999 11.633 718 HA LYS 94 HA LYS 94 15.587 -2.138 13.560 719 HB2 LYS 94 HB2 LYS 94 17.032 -4.689 14.239 720 HB3 LYS 94 HB3 LYS 94 15.897 -3.783 15.225 721 HG2 LYS 94 HG2 LYS 94 14.060 -4.446 13.858 722 HG3 LYS 94 HG3 LYS 94 15.143 -5.189 12.678 723 HD2 LYS 94 HD2 LYS 94 14.729 -6.072 15.535 724 HD3 LYS 94 HD3 LYS 94 14.117 -6.883 14.092 725 HE2 LYS 94 HE2 LYS 94 16.522 -7.111 13.350 726 HE3 LYS 94 HE3 LYS 94 16.986 -6.563 14.963 727 HZ1 LYS 94 HZ1 LYS 94 15.740 -8.442 15.888 728 HZ2 LYS 94 HZ2 LYS 94 16.996 -8.952 14.861 729 HZ3 LYS 94 HZ3 LYS 94 15.386 -8.981 14.317 730 H TYR 95 H TYR 95 16.816 -0.939 14.900 731 HA TYR 95 HA TYR 95 19.736 -1.130 14.609 732 HB2 TYR 95 HB2 TYR 95 18.081 1.401 14.583 733 HB3 TYR 95 HB3 TYR 95 19.840 1.341 14.609 734 HD1 TYR 95 HD1 TYR 95 16.852 0.582 12.590 735 HD2 TYR 95 HD2 TYR 95 21.085 0.927 12.654 736 HE1 TYR 95 HE1 TYR 95 16.893 0.427 10.132 737 HE2 TYR 95 HE2 TYR 95 21.150 0.782 10.204 738 HH TYR 95 HH TYR 95 19.725 -0.167 8.404 739 H LYS 96 H LYS 96 20.937 -0.592 16.395 740 HA LYS 96 HA LYS 96 19.425 -0.210 18.886 741 HB2 LYS 96 HB2 LYS 96 20.963 -2.210 18.695 742 HB3 LYS 96 HB3 LYS 96 22.311 -1.085 18.592 743 HG2 LYS 96 HG2 LYS 96 21.526 -0.152 20.807 744 HG3 LYS 96 HG3 LYS 96 20.454 -1.548 20.904 745 HD2 LYS 96 HD2 LYS 96 23.450 -1.669 20.612 746 HD3 LYS 96 HD3 LYS 96 22.566 -1.884 22.121 747 HE2 LYS 96 HE2 LYS 96 21.437 -3.842 21.154 748 HE3 LYS 96 HE3 LYS 96 22.363 -3.626 19.667 749 HZ1 LYS 96 HZ1 LYS 96 23.419 -5.283 21.022 750 HZ2 LYS 96 HZ2 LYS 96 23.455 -4.241 22.363 751 HZ3 LYS 96 HZ3 LYS 96 24.405 -3.902 20.998 752 H MET 97 H MET 97 20.158 1.423 20.353 753 HA MET 97 HA MET 97 21.097 3.748 18.916 754 HB2 MET 97 HB2 MET 97 20.292 3.536 21.825 755 HB3 MET 97 HB3 MET 97 20.447 5.010 20.878 756 HG2 MET 97 HG2 MET 97 18.614 4.162 19.408 757 HG3 MET 97 HG3 MET 97 18.400 2.834 20.544 758 HE1 MET 97 HE1 MET 97 17.796 6.560 19.742 759 HE2 MET 97 HE2 MET 97 19.053 6.757 20.964 760 HE3 MET 97 HE3 MET 97 17.400 7.267 21.308 761 H THR 98 H THR 98 23.218 2.802 18.578 762 HA THR 98 HA THR 98 24.919 2.180 20.765 763 HB THR 98 HB THR 98 26.696 2.088 19.005 764 HG1 THR 98 HG1 THR 98 25.791 2.272 16.786 765 HG21 THR 98 HG21 THR 98 25.742 0.179 17.806 766 HG22 THR 98 HG22 THR 98 24.123 0.657 18.319 767 HG23 THR 98 HG23 THR 98 25.306 0.125 19.514 768 H SER 99 H SER 99 24.572 4.984 18.621 769 HA SER 99 HA SER 99 26.559 6.379 20.273 770 HB2 SER 99 HB2 SER 99 25.753 6.963 17.425 771 HB3 SER 99 HB3 SER 99 26.993 7.815 18.342 772 HG SER 99 HG SER 99 27.060 5.024 17.858 773 H ILE 100 H ILE 100 25.315 7.280 21.811 774 HA ILE 100 HA ILE 100 23.476 9.391 20.876 775 HB ILE 100 HB ILE 100 23.405 8.089 23.612 776 HG12 ILE 100 HG12 ILE 100 21.528 7.648 21.276 777 HG13 ILE 100 HG13 ILE 100 22.728 6.489 21.839 778 HG21 ILE 100 HG21 ILE 100 22.586 10.378 23.568 779 HG22 ILE 100 HG22 ILE 100 21.248 9.254 23.815 780 HG23 ILE 100 HG23 ILE 100 21.505 9.987 22.232 781 HD11 ILE 100 HD11 ILE 100 20.540 5.894 22.652 782 HD12 ILE 100 HD12 ILE 100 20.346 7.489 23.382 783 HD13 ILE 100 HD13 ILE 100 21.568 6.377 24.000 784 H ARG 101 H ARG 101 25.367 10.697 20.599 785 HA ARG 101 HA ARG 101 27.089 10.989 22.927 786 HB2 ARG 101 HB2 ARG 101 27.498 11.144 20.071 787 HB3 ARG 101 HB3 ARG 101 28.187 12.532 20.902 788 HG2 ARG 101 HG2 ARG 101 29.383 10.988 22.408 789 HG3 ARG 101 HG3 ARG 101 28.753 9.631 21.472 790 HD2 ARG 101 HD2 ARG 101 29.913 10.379 19.511 791 HD3 ARG 101 HD3 ARG 101 30.420 11.860 20.323 792 HE ARG 101 HE ARG 101 31.422 9.844 21.874 793 HH11 ARG 101 HH11 ARG 101 31.658 10.678 18.485 794 HH12 ARG 101 HH12 ARG 101 33.299 10.106 18.325 795 HH21 ARG 101 HH21 ARG 101 33.559 9.073 21.676 796 HH22 ARG 101 HH22 ARG 101 34.373 9.180 20.143 797 H ASP 102 H ASP 102 27.887 12.972 23.576 798 HA ASP 102 HA ASP 102 25.845 15.084 23.508 799 HB2 ASP 102 HB2 ASP 102 26.329 13.887 25.682 800 HB3 ASP 102 HB3 ASP 102 27.948 14.568 25.618 801 H VAL 103 H VAL 103 26.562 16.445 21.908 802 HA VAL 103 HA VAL 103 29.261 17.542 22.296 803 HB VAL 103 HB VAL 103 29.408 17.981 19.867 804 HG11 VAL 103 HG11 VAL 103 30.480 16.008 20.794 805 HG12 VAL 103 HG12 VAL 103 29.857 15.668 19.179 806 HG13 VAL 103 HG13 VAL 103 28.988 15.086 20.599 807 HG21 VAL 103 HG21 VAL 103 27.014 18.002 19.354 808 HG22 VAL 103 HG22 VAL 103 26.933 16.267 19.669 809 HG23 VAL 103 HG23 VAL 103 27.890 16.875 18.316 810 H LYS 104 H LYS 104 29.531 19.740 22.003 811 HA LYS 104 HA LYS 104 27.058 21.253 22.360 812 HB2 LYS 104 HB2 LYS 104 29.956 21.883 22.922 813 HB3 LYS 104 HB3 LYS 104 28.704 23.113 22.993 814 HG2 LYS 104 HG2 LYS 104 29.145 22.329 25.211 815 HG3 LYS 104 HG3 LYS 104 27.543 21.778 24.728 816 HD2 LYS 104 HD2 LYS 104 28.422 19.563 24.249 817 HD3 LYS 104 HD3 LYS 104 30.054 20.105 24.640 818 HE2 LYS 104 HE2 LYS 104 29.432 20.475 26.937 819 HE3 LYS 104 HE3 LYS 104 27.743 20.117 26.575 820 HZ1 LYS 104 HZ1 LYS 104 28.980 18.259 27.625 821 HZ2 LYS 104 HZ2 LYS 104 29.950 18.157 26.236 822 HZ3 LYS 104 HZ3 LYS 104 28.281 17.858 26.132 823 HA PRO 105 HA PRO 105 27.198 22.932 18.263 824 HB2 PRO 105 HB2 PRO 105 25.859 25.273 18.746 825 HB3 PRO 105 HB3 PRO 105 25.063 23.708 18.551 826 HG2 PRO 105 HG2 PRO 105 25.763 25.182 21.057 827 HG3 PRO 105 HG3 PRO 105 24.289 24.275 20.665 828 HD2 PRO 105 HD2 PRO 105 26.234 23.248 22.226 829 HD3 PRO 105 HD3 PRO 105 25.273 22.236 21.130 830 H THR 106 H THR 106 28.834 23.942 17.274 831 HA THR 106 HA THR 106 29.824 26.458 18.264 832 HB THR 106 HB THR 106 31.202 25.148 19.648 833 HG1 THR 106 HG1 THR 106 32.280 26.749 18.174 834 HG21 THR 106 HG21 THR 106 31.851 23.409 17.268 835 HG22 THR 106 HG22 THR 106 30.824 22.960 18.629 836 HG23 THR 106 HG23 THR 106 32.547 23.250 18.881 837 H ASP 107 H ASP 107 30.642 23.810 15.980 838 HA ASP 107 HA ASP 107 30.718 25.804 13.850 839 HB2 ASP 107 HB2 ASP 107 33.044 25.576 14.715 840 HB3 ASP 107 HB3 ASP 107 32.988 23.858 14.333 841 H VAL 108 H VAL 108 30.985 24.679 11.667 842 HA VAL 108 HA VAL 108 28.971 22.692 11.492 843 HB VAL 108 HB VAL 108 29.009 24.392 9.831 844 HG11 VAL 108 HG11 VAL 108 30.896 24.681 8.263 845 HG12 VAL 108 HG12 VAL 108 31.843 23.552 9.232 846 HG13 VAL 108 HG13 VAL 108 31.316 25.086 9.927 847 HG21 VAL 108 HG21 VAL 108 28.322 22.226 9.041 848 HG22 VAL 108 HG22 VAL 108 29.990 21.812 8.660 849 HG23 VAL 108 HG23 VAL 108 29.175 23.091 7.763 850 H GLU 109 H GLU 109 32.498 22.745 10.921 851 HA GLU 109 HA GLU 109 32.350 19.840 10.440 852 HB2 GLU 109 HB2 GLU 109 34.563 20.094 9.335 853 HB3 GLU 109 HB3 GLU 109 33.269 20.975 8.536 854 HG2 GLU 109 HG2 GLU 109 34.082 23.041 9.229 855 HG3 GLU 109 HG3 GLU 109 35.062 22.332 10.514 856 H VAL 110 H VAL 110 32.374 21.082 13.050 857 HA VAL 110 HA VAL 110 35.018 20.713 14.136 858 HB VAL 110 HB VAL 110 33.391 22.401 15.011 859 HG11 VAL 110 HG11 VAL 110 32.011 19.994 16.189 860 HG12 VAL 110 HG12 VAL 110 31.369 21.043 14.924 861 HG13 VAL 110 HG13 VAL 110 31.638 21.681 16.545 862 HG21 VAL 110 HG21 VAL 110 33.946 22.064 17.373 863 HG22 VAL 110 HG22 VAL 110 35.329 21.733 16.332 864 HG23 VAL 110 HG23 VAL 110 34.410 20.398 17.026 865 H LEU 111 H LEU 111 32.576 18.613 13.251 866 HA LEU 111 HA LEU 111 33.017 16.692 15.394 867 HB2 LEU 111 HB2 LEU 111 31.235 16.677 12.965 868 HB3 LEU 111 HB3 LEU 111 31.463 15.253 13.958 869 HG LEU 111 HG LEU 111 29.422 16.251 14.636 870 HD11 LEU 111 HD11 LEU 111 30.791 15.417 16.460 871 HD12 LEU 111 HD12 LEU 111 29.840 16.809 16.978 872 HD13 LEU 111 HD13 LEU 111 31.558 16.996 16.625 873 HD21 LEU 111 HD21 LEU 111 29.714 18.468 13.701 874 HD22 LEU 111 HD22 LEU 111 30.926 18.848 14.924 875 HD23 LEU 111 HD23 LEU 111 29.250 18.577 15.400 876 H ASP 112 H ASP 112 34.448 15.112 15.311 877 HA ASP 112 HA ASP 112 36.118 14.780 12.985 878 HB2 ASP 112 HB2 ASP 112 37.193 14.712 15.123 879 HB3 ASP 112 HB3 ASP 112 36.104 13.458 15.694 880 H GLU 113 H GLU 113 36.124 13.143 11.593 881 HA GLU 113 HA GLU 113 33.708 11.498 11.589 882 HB2 GLU 113 HB2 GLU 113 35.115 12.941 9.590 883 HB3 GLU 113 HB3 GLU 113 35.193 11.236 9.163 884 HG2 GLU 113 HG2 GLU 113 32.652 12.708 9.822 885 HG3 GLU 113 HG3 GLU 113 33.256 12.444 8.188 886 H GLN 114 H GLN 114 33.727 9.309 11.547 887 HA GLN 114 HA GLN 114 36.303 8.091 12.261 888 HB2 GLN 114 HB2 GLN 114 33.519 6.975 12.653 889 HB3 GLN 114 HB3 GLN 114 35.013 6.297 13.279 890 HG2 GLN 114 HG2 GLN 114 33.670 8.854 14.109 891 HG3 GLN 114 HG3 GLN 114 33.894 7.390 15.063 892 HE21 GLN 114 HE21 GLN 114 35.319 10.289 13.903 893 HE22 GLN 114 HE22 GLN 114 36.790 10.202 14.811 894 H LYS 115 H LYS 115 37.112 6.329 11.191 895 HA LYS 115 HA LYS 115 35.937 5.748 8.599 896 HB2 LYS 115 HB2 LYS 115 38.000 4.584 8.092 897 HB3 LYS 115 HB3 LYS 115 38.367 6.165 8.762 898 HG2 LYS 115 HG2 LYS 115 38.292 3.884 10.647 899 HG3 LYS 115 HG3 LYS 115 39.635 3.954 9.507 900 HD2 LYS 115 HD2 LYS 115 38.830 6.156 11.412 901 HD3 LYS 115 HD3 LYS 115 40.177 5.044 11.639 902 HE2 LYS 115 HE2 LYS 115 41.252 5.902 9.639 903 HE3 LYS 115 HE3 LYS 115 39.882 6.966 9.334 904 HZ1 LYS 115 HZ1 LYS 115 40.365 8.049 11.487 905 HZ2 LYS 115 HZ2 LYS 115 41.612 8.223 10.354 906 HZ3 LYS 115 HZ3 LYS 115 41.772 7.110 11.619 907 H GLY 116 H GLY 116 35.939 3.401 7.895 908 HA2 GLY 116 HA2 GLY 116 35.365 1.178 8.241 909 HA3 GLY 116 HA3 GLY 116 35.554 1.431 9.971 910 H LYS 117 H LYS 117 33.414 2.056 7.237 911 HA LYS 117 HA LYS 117 31.234 2.807 8.999 912 HB2 LYS 117 HB2 LYS 117 31.225 2.440 6.005 913 HB3 LYS 117 HB3 LYS 117 29.995 3.244 6.964 914 HG2 LYS 117 HG2 LYS 117 32.840 4.189 6.708 915 HG3 LYS 117 HG3 LYS 117 31.487 4.792 5.750 916 HD2 LYS 117 HD2 LYS 117 30.368 5.536 7.788 917 HD3 LYS 117 HD3 LYS 117 31.706 4.914 8.757 918 HE2 LYS 117 HE2 LYS 117 33.231 6.476 7.692 919 HE3 LYS 117 HE3 LYS 117 31.935 7.061 6.650 920 HZ1 LYS 117 HZ1 LYS 117 32.318 8.547 8.515 921 HZ2 LYS 117 HZ2 LYS 117 32.002 7.296 9.613 922 HZ3 LYS 117 HZ3 LYS 117 30.771 7.867 8.599 923 H ASP 118 H ASP 118 29.100 1.856 8.655 924 HA ASP 118 HA ASP 118 28.874 -0.779 7.511 925 HB2 ASP 118 HB2 ASP 118 29.671 -1.060 9.971 926 HB3 ASP 118 HB3 ASP 118 28.077 -0.462 10.412 927 H LYS 119 H LYS 119 26.387 -1.394 8.532 928 HA LYS 119 HA LYS 119 24.703 0.554 7.288 929 HB2 LYS 119 HB2 LYS 119 23.953 -1.843 8.963 930 HB3 LYS 119 HB3 LYS 119 22.902 -0.986 7.837 931 HG2 LYS 119 HG2 LYS 119 23.692 -2.115 6.086 932 HG3 LYS 119 HG3 LYS 119 25.369 -1.905 6.600 933 HD2 LYS 119 HD2 LYS 119 24.941 -3.691 8.320 934 HD3 LYS 119 HD3 LYS 119 23.405 -3.995 7.505 935 HE2 LYS 119 HE2 LYS 119 25.023 -5.564 6.695 936 HE3 LYS 119 HE3 LYS 119 24.661 -4.416 5.408 937 HZ1 LYS 119 HZ1 LYS 119 27.084 -5.014 5.825 938 HZ2 LYS 119 HZ2 LYS 119 26.981 -4.029 7.205 939 HZ3 LYS 119 HZ3 LYS 119 26.712 -3.368 5.666 940 H GLN 120 H GLN 120 24.507 2.457 8.320 941 HA GLN 120 HA GLN 120 23.482 2.431 11.059 942 HB2 GLN 120 HB2 GLN 120 25.070 4.220 11.715 943 HB3 GLN 120 HB3 GLN 120 25.877 2.703 11.348 944 HG2 GLN 120 HG2 GLN 120 26.500 3.548 9.152 945 HG3 GLN 120 HG3 GLN 120 25.663 5.061 9.490 946 HE21 GLN 120 HE21 GLN 120 26.557 6.513 10.952 947 HE22 GLN 120 HE22 GLN 120 28.207 6.411 11.452 948 H LEU 121 H LEU 121 22.154 4.149 11.554 949 HA LEU 121 HA LEU 121 21.626 6.023 9.347 950 HB2 LEU 121 HB2 LEU 121 19.805 5.668 11.706 951 HB3 LEU 121 HB3 LEU 121 19.434 6.315 10.117 952 HG LEU 121 HG LEU 121 19.941 3.407 10.759 953 HD11 LEU 121 HD11 LEU 121 17.403 4.880 10.062 954 HD12 LEU 121 HD12 LEU 121 17.819 4.215 11.641 955 HD13 LEU 121 HD13 LEU 121 17.560 3.136 10.271 956 HD21 LEU 121 HD21 LEU 121 20.681 3.998 8.506 957 HD22 LEU 121 HD22 LEU 121 19.110 4.728 8.178 958 HD23 LEU 121 HD23 LEU 121 19.234 2.991 8.460 959 H THR 122 H THR 122 22.627 7.888 9.623 960 HA THR 122 HA THR 122 23.251 8.868 12.289 961 HB THR 122 HB THR 122 23.826 10.168 9.616 962 HG1 THR 122 HG1 THR 122 25.612 8.964 9.504 963 HG21 THR 122 HG21 THR 122 25.608 11.316 10.872 964 HG22 THR 122 HG22 THR 122 25.047 10.543 12.355 965 HG23 THR 122 HG23 THR 122 24.007 11.690 11.509 966 H LEU 123 H LEU 123 21.350 9.526 13.211 967 HA LEU 123 HA LEU 123 19.468 11.115 11.701 968 HB2 LEU 123 HB2 LEU 123 19.467 10.144 14.556 969 HB3 LEU 123 HB3 LEU 123 18.217 11.182 13.900 970 HG LEU 123 HG LEU 123 17.884 9.328 12.135 971 HD11 LEU 123 HD11 LEU 123 19.888 8.055 12.585 972 HD12 LEU 123 HD12 LEU 123 18.459 7.078 12.923 973 HD13 LEU 123 HD13 LEU 123 19.372 7.792 14.252 974 HD21 LEU 123 HD21 LEU 123 16.370 8.115 13.621 975 HD22 LEU 123 HD22 LEU 123 16.269 9.857 13.877 976 HD23 LEU 123 HD23 LEU 123 17.157 8.850 15.020 977 H ILE 124 H ILE 124 19.549 13.192 11.517 978 HA ILE 124 HA ILE 124 21.428 14.726 13.055 979 HB ILE 124 HB ILE 124 19.487 15.594 10.906 980 HG12 ILE 124 HG12 ILE 124 22.466 15.058 10.838 981 HG13 ILE 124 HG13 ILE 124 21.220 14.054 10.107 982 HG21 ILE 124 HG21 ILE 124 21.756 17.113 12.188 983 HG22 ILE 124 HG22 ILE 124 20.037 17.455 12.382 984 HG23 ILE 124 HG23 ILE 124 20.808 17.664 10.808 985 HD11 ILE 124 HD11 ILE 124 21.882 16.881 9.324 986 HD12 ILE 124 HD12 ILE 124 20.646 15.863 8.585 987 HD13 ILE 124 HD13 ILE 124 22.348 15.422 8.451 988 H THR 125 H THR 125 20.538 14.472 15.119 989 HA THR 125 HA THR 125 18.120 16.013 15.684 990 HB THR 125 HB THR 125 19.816 14.661 17.773 991 HG1 THR 125 HG1 THR 125 18.368 13.468 15.725 992 HG21 THR 125 HG21 THR 125 16.846 15.155 17.485 993 HG22 THR 125 HG22 THR 125 17.954 16.029 18.546 994 HG23 THR 125 HG23 THR 125 17.608 14.322 18.841 995 H CYS 126 H CYS 126 18.633 18.141 15.563 996 HA CYS 126 HA CYS 126 21.244 19.082 16.331 997 HB2 CYS 126 HB2 CYS 126 18.810 20.402 15.170 998 HB3 CYS 126 HB3 CYS 126 20.162 21.359 15.763 999 H ASP 127 H ASP 127 18.134 18.885 17.849 1000 HA ASP 127 HA ASP 127 18.828 20.990 19.752 1001 HB2 ASP 127 HB2 ASP 127 16.314 19.388 19.960 1002 HB3 ASP 127 HB3 ASP 127 16.610 21.054 20.423 1003 H ASP 128 H ASP 128 18.399 20.610 22.025 1004 HA ASP 128 HA ASP 128 18.226 17.898 22.994 1005 HB2 ASP 128 HB2 ASP 128 20.716 18.429 22.682 1006 HB3 ASP 128 HB3 ASP 128 20.512 19.596 23.977 1007 H TYR 129 H TYR 129 16.485 18.214 24.236 1008 HA TYR 129 HA TYR 129 15.785 20.800 25.163 1009 HB2 TYR 129 HB2 TYR 129 13.736 19.879 25.797 1010 HB3 TYR 129 HB3 TYR 129 14.229 18.846 24.462 1011 HD1 TYR 129 HD1 TYR 129 15.369 16.612 25.068 1012 HD2 TYR 129 HD2 TYR 129 13.208 18.975 27.871 1013 HE1 TYR 129 HE1 TYR 129 15.147 14.657 26.541 1014 HE2 TYR 129 HE2 TYR 129 12.985 17.027 29.356 1015 HH TYR 129 HH TYR 129 14.788 14.187 28.929 1016 H ASN 130 H ASN 130 16.161 21.763 27.047 1017 HA ASN 130 HA ASN 130 17.152 20.166 29.294 1018 HB2 ASN 130 HB2 ASN 130 18.405 22.215 28.782 1019 HB3 ASN 130 HB3 ASN 130 16.941 23.173 28.963 1020 HD21 ASN 130 HD21 ASN 130 17.527 20.509 31.111 1021 HD22 ASN 130 HD22 ASN 130 17.953 21.453 32.499 1022 H GLU 131 H GLU 131 15.611 19.262 30.426 1023 HA GLU 131 HA GLU 131 12.926 19.748 30.295 1024 HB2 GLU 131 HB2 GLU 131 14.095 17.713 31.116 1025 HB3 GLU 131 HB3 GLU 131 14.482 18.573 32.600 1026 HG2 GLU 131 HG2 GLU 131 12.058 18.912 32.929 1027 HG3 GLU 131 HG3 GLU 131 11.793 17.836 31.564 1028 H LYS 132 H LYS 132 15.315 21.123 32.460 1029 HA LYS 132 HA LYS 132 13.644 22.048 34.493 1030 HB2 LYS 132 HB2 LYS 132 16.264 21.953 34.257 1031 HB3 LYS 132 HB3 LYS 132 16.074 23.596 33.662 1032 HG2 LYS 132 HG2 LYS 132 15.155 22.589 36.348 1033 HG3 LYS 132 HG3 LYS 132 16.620 23.517 36.037 1034 HD2 LYS 132 HD2 LYS 132 15.382 25.441 35.428 1035 HD3 LYS 132 HD3 LYS 132 13.874 24.529 35.343 1036 HE2 LYS 132 HE2 LYS 132 15.477 25.027 37.849 1037 HE3 LYS 132 HE3 LYS 132 14.021 25.902 37.378 1038 HZ1 LYS 132 HZ1 LYS 132 12.820 23.765 37.425 1039 HZ2 LYS 132 HZ2 LYS 132 13.452 24.196 38.940 1040 HZ3 LYS 132 HZ3 LYS 132 14.221 23.005 38.013 1041 H THR 133 H THR 133 15.035 23.939 31.801 1042 HA THR 133 HA THR 133 13.092 26.046 32.448 1043 HB THR 133 HB THR 133 15.197 26.920 32.874 1044 HG1 THR 133 HG1 THR 133 14.135 27.704 30.439 1045 HG21 THR 133 HG21 THR 133 16.505 25.075 31.958 1046 HG22 THR 133 HG22 THR 133 17.164 26.638 31.463 1047 HG23 THR 133 HG23 THR 133 16.217 25.680 30.323 1048 H GLY 134 H GLY 134 13.465 23.678 30.232 1049 HA2 GLY 134 HA2 GLY 134 12.355 23.276 28.267 1050 HA3 GLY 134 HA3 GLY 134 11.442 24.743 28.579 1051 H VAL 135 H VAL 135 14.889 24.183 27.899 1052 HA VAL 135 HA VAL 135 14.581 25.677 25.399 1053 HB VAL 135 HB VAL 135 15.402 27.236 27.144 1054 HG11 VAL 135 HG11 VAL 135 17.784 25.401 27.256 1055 HG12 VAL 135 HG12 VAL 135 16.598 25.643 28.536 1056 HG13 VAL 135 HG13 VAL 135 17.656 26.969 28.051 1057 HG21 VAL 135 HG21 VAL 135 16.012 27.606 24.817 1058 HG22 VAL 135 HG22 VAL 135 17.443 26.597 25.026 1059 HG23 VAL 135 HG23 VAL 135 17.302 28.120 25.903 1060 H TRP 136 H TRP 136 16.310 25.219 23.850 1061 HA TRP 136 HA TRP 136 17.343 22.526 24.246 1062 HB2 TRP 136 HB2 TRP 136 17.992 22.671 21.823 1063 HB3 TRP 136 HB3 TRP 136 16.268 22.804 22.132 1064 HD1 TRP 136 HD1 TRP 136 15.311 25.463 22.069 1065 HE1 TRP 136 HE1 TRP 136 15.969 27.345 20.433 1066 HE3 TRP 136 HE3 TRP 136 19.771 23.570 20.433 1067 HZ2 TRP 136 HZ2 TRP 136 18.107 27.932 18.680 1068 HZ3 TRP 136 HZ3 TRP 136 21.056 24.850 18.771 1069 HH2 TRP 136 HH2 TRP 136 20.239 26.986 17.914 1070 H GLU 137 H GLU 137 19.341 22.084 24.767 1071 HA GLU 137 HA GLU 137 21.153 24.317 25.254 1072 HB2 GLU 137 HB2 GLU 137 21.303 21.408 26.050 1073 HB3 GLU 137 HB3 GLU 137 22.456 22.644 26.531 1074 HG2 GLU 137 HG2 GLU 137 20.719 23.812 27.761 1075 HG3 GLU 137 HG3 GLU 137 19.537 22.603 27.250 1076 H LYS 138 H LYS 138 21.605 20.986 24.143 1077 HA LYS 138 HA LYS 138 24.025 21.889 22.744 1078 HB2 LYS 138 HB2 LYS 138 23.476 19.194 24.004 1079 HB3 LYS 138 HB3 LYS 138 24.993 19.725 23.287 1080 HG2 LYS 138 HG2 LYS 138 25.356 21.307 25.026 1081 HG3 LYS 138 HG3 LYS 138 23.727 21.071 25.662 1082 HD2 LYS 138 HD2 LYS 138 25.858 18.941 25.564 1083 HD3 LYS 138 HD3 LYS 138 25.482 19.919 26.982 1084 HE2 LYS 138 HE2 LYS 138 23.421 18.244 25.571 1085 HE3 LYS 138 HE3 LYS 138 24.425 17.613 26.872 1086 HZ1 LYS 138 HZ1 LYS 138 22.284 18.377 27.684 1087 HZ2 LYS 138 HZ2 LYS 138 22.583 19.932 27.093 1088 HZ3 LYS 138 HZ3 LYS 138 23.539 19.306 28.342 1089 H ARG 139 H ARG 139 24.682 19.729 21.322 1090 HA ARG 139 HA ARG 139 22.378 19.369 19.523 1091 HB2 ARG 139 HB2 ARG 139 24.362 20.738 18.690 1092 HB3 ARG 139 HB3 ARG 139 25.287 19.244 18.731 1093 HG2 ARG 139 HG2 ARG 139 23.305 18.341 17.279 1094 HG3 ARG 139 HG3 ARG 139 23.077 20.054 16.922 1095 HD2 ARG 139 HD2 ARG 139 25.516 20.141 16.324 1096 HD3 ARG 139 HD3 ARG 139 25.537 18.385 16.453 1097 HE ARG 139 HE ARG 139 24.515 19.942 14.295 1098 HH11 ARG 139 HH11 ARG 139 24.030 16.930 16.016 1099 HH12 ARG 139 HH12 ARG 139 23.363 16.115 14.641 1100 HH21 ARG 139 HH21 ARG 139 23.670 18.911 12.501 1101 HH22 ARG 139 HH22 ARG 139 23.141 17.249 12.628 1102 H LYS 140 H LYS 140 22.059 17.546 21.178 1103 HA LYS 140 HA LYS 140 23.865 15.346 21.128 1104 HB2 LYS 140 HB2 LYS 140 22.378 15.710 23.031 1105 HB3 LYS 140 HB3 LYS 140 20.973 15.494 22.001 1106 HG2 LYS 140 HG2 LYS 140 22.906 13.256 22.112 1107 HG3 LYS 140 HG3 LYS 140 21.943 13.564 23.557 1108 HD2 LYS 140 HD2 LYS 140 20.732 13.276 20.813 1109 HD3 LYS 140 HD3 LYS 140 20.985 11.898 21.884 1110 HE2 LYS 140 HE2 LYS 140 18.706 12.676 22.088 1111 HE3 LYS 140 HE3 LYS 140 19.572 13.011 23.584 1112 HZ1 LYS 140 HZ1 LYS 140 19.689 15.296 23.081 1113 HZ2 LYS 140 HZ2 LYS 140 18.099 14.836 22.713 1114 HZ3 LYS 140 HZ3 LYS 140 19.220 15.053 21.467 1115 H ILE 141 H ILE 141 24.271 14.666 19.111 1116 HA ILE 141 HA ILE 141 22.181 14.053 17.265 1117 HB ILE 141 HB ILE 141 24.222 15.044 16.463 1118 HG12 ILE 141 HG12 ILE 141 24.121 12.161 15.610 1119 HG13 ILE 141 HG13 ILE 141 23.034 13.422 15.043 1120 HG21 ILE 141 HG21 ILE 141 25.633 12.633 17.595 1121 HG22 ILE 141 HG22 ILE 141 25.780 14.301 18.151 1122 HG23 ILE 141 HG23 ILE 141 26.376 13.845 16.554 1123 HD11 ILE 141 HD11 ILE 141 24.916 14.621 14.077 1124 HD12 ILE 141 HD12 ILE 141 24.813 12.981 13.435 1125 HD13 ILE 141 HD13 ILE 141 26.015 13.377 14.665 1126 H PHE 142 H PHE 142 21.517 12.043 16.664 1127 HA PHE 142 HA PHE 142 22.509 9.821 18.311 1128 HB2 PHE 142 HB2 PHE 142 20.294 10.159 19.006 1129 HB3 PHE 142 HB3 PHE 142 19.736 10.515 17.373 1130 HD1 PHE 142 HD1 PHE 142 21.434 7.722 19.152 1131 HD2 PHE 142 HD2 PHE 142 18.395 8.936 16.442 1132 HE1 PHE 142 HE1 PHE 142 20.740 5.371 18.874 1133 HE2 PHE 142 HE2 PHE 142 17.689 6.598 16.165 1134 HZ PHE 142 HZ PHE 142 18.865 4.809 17.379 1135 H VAL 143 H VAL 143 23.488 8.241 17.273 1136 HA VAL 143 HA VAL 143 22.794 7.761 14.446 1137 HB VAL 143 HB VAL 143 25.496 7.261 15.709 1138 HG11 VAL 143 HG11 VAL 143 24.585 7.086 12.842 1139 HG12 VAL 143 HG12 VAL 143 24.969 5.724 13.895 1140 HG13 VAL 143 HG13 VAL 143 26.237 6.854 13.413 1141 HG21 VAL 143 HG21 VAL 143 24.660 9.446 13.808 1142 HG22 VAL 143 HG22 VAL 143 26.302 9.142 14.376 1143 HG23 VAL 143 HG23 VAL 143 25.057 9.659 15.514 1144 H ALA 144 H ALA 144 21.971 5.820 14.066 1145 HA ALA 144 HA ALA 144 22.129 3.814 16.215 1146 HB1 ALA 144 HB1 ALA 144 20.032 2.947 15.406 1147 HB2 ALA 144 HB2 ALA 144 20.078 4.027 14.014 1148 HB3 ALA 144 HB3 ALA 144 19.880 4.688 15.637 1149 H THR 145 H THR 145 23.077 1.925 15.870 1150 HA THR 145 HA THR 145 24.023 1.312 13.158 1151 HB THR 145 HB THR 145 24.848 -0.004 15.758 1152 HG1 THR 145 HG1 THR 145 25.842 2.260 14.367 1153 HG21 THR 145 HG21 THR 145 26.773 -0.780 14.468 1154 HG22 THR 145 HG22 THR 145 26.149 0.028 13.028 1155 HG23 THR 145 HG23 THR 145 25.269 -1.332 13.729 1156 H GLU 146 H GLU 146 23.424 -0.530 12.091 1157 HA GLU 146 HA GLU 146 20.920 -1.646 12.758 1158 HB2 GLU 146 HB2 GLU 146 21.817 -1.415 10.446 1159 HB3 GLU 146 HB3 GLU 146 22.949 -2.716 10.796 1160 HG2 GLU 146 HG2 GLU 146 21.026 -4.204 11.245 1161 HG3 GLU 146 HG3 GLU 146 19.949 -2.902 10.739 1162 H VAL 147 H VAL 147 20.428 -3.204 14.099 1163 HA VAL 147 HA VAL 147 22.549 -4.986 15.029 1164 HB VAL 147 HB VAL 147 21.686 -3.798 16.828 1165 HG11 VAL 147 HG11 VAL 147 19.676 -2.950 15.802 1166 HG12 VAL 147 HG12 VAL 147 19.318 -3.634 17.388 1167 HG13 VAL 147 HG13 VAL 147 18.930 -4.542 15.927 1168 HG21 VAL 147 HG21 VAL 147 20.712 -5.413 18.322 1169 HG22 VAL 147 HG22 VAL 147 21.965 -6.172 17.336 1170 HG23 VAL 147 HG23 VAL 147 20.259 -6.431 16.954 1171 H LYS 148 H LYS 148 21.823 -7.133 15.665 1172 HA LYS 148 HA LYS 148 20.539 -8.281 13.313 1173 HB2 LYS 148 HB2 LYS 148 21.626 -10.397 13.944 1174 HB3 LYS 148 HB3 LYS 148 22.775 -9.092 13.709 1175 HG2 LYS 148 HG2 LYS 148 21.791 -9.663 16.453 1176 HG3 LYS 148 HG3 LYS 148 22.975 -10.747 15.729 1177 HD2 LYS 148 HD2 LYS 148 23.302 -7.766 16.103 1178 HD3 LYS 148 HD3 LYS 148 24.049 -9.016 17.090 1179 HE2 LYS 148 HE2 LYS 148 24.499 -8.626 14.134 1180 HE3 LYS 148 HE3 LYS 148 25.587 -8.079 15.409 1181 HZ1 LYS 148 HZ1 LYS 148 25.753 -10.445 16.113 1182 HZ2 LYS 148 HZ2 LYS 148 26.404 -10.129 14.581 1183 HZ3 LYS 148 HZ3 LYS 148 24.891 -10.882 14.718 1184 H6 2W7 201 H6 2W7 201 21.936 23.203 15.837 1185 H7 2W7 201 H7 2W7 201 24.086 23.401 17.047 1186 H8 2W7 201 H8 2W7 201 26.185 22.583 16.003 1187 H9 2W7 201 H9 2W7 201 26.127 21.564 13.739 1188 H3 2W7 201 H3 2W7 201 23.133 23.034 11.484 1189 H122 2W7 201 H122 2W7 201 23.323 22.161 9.216 1190 H121 2W7 201 H121 2W7 201 24.763 23.080 9.679 1191 H4 2W7 201 H4 2W7 201 25.921 21.037 11.457 1192 HZ12 2W7 201 HZ12 2W7 201 28.335 20.099 9.803 1193 HZ11 2W7 201 HZ11 2W7 201 27.220 19.607 8.518 1194 HY1 2W7 201 HY1 2W7 201 29.160 18.093 8.642 1195 HX22 2W7 201 HX22 2W7 201 29.464 16.663 10.619 1196 HX21 2W7 201 HX21 2W7 201 29.659 18.381 11.028 1197 HY3 2W7 201 HY3 2W7 201 28.237 17.234 12.709 1198 HZ21 2W7 201 HZ21 2W7 201 27.804 19.607 12.173 1199 HZ22 2W7 201 HZ22 2W7 201 26.307 18.752 12.596 1200 HX31 2W7 201 HX31 2W7 201 27.365 15.479 11.220 1201 HX32 2W7 201 HX32 2W7 201 26.044 16.346 12.029 1202 HY2 2W7 201 HY2 2W7 201 25.558 16.036 9.622 1203 HZ32 2W7 201 HZ32 2W7 201 24.726 18.045 10.787 1204 HZ31 2W7 201 HZ31 2W7 201 25.107 18.392 9.090 1205 HX12 2W7 201 HX12 2W7 201 27.894 15.970 8.843 1206 HX11 2W7 201 HX11 2W7 201 26.964 17.192 7.952
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