NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
22402 | 2job | 15622 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA GLU 1 HA GLU 1 15.981 13.102 0.106 2 H1 GLU 1 1H GLU 1 14.379 13.950 -1.460 3 H2 GLU 1 2H GLU 1 13.102 13.714 -0.364 4 H3 GLU 1 3H GLU 1 13.915 12.378 -1.028 5 HB2 GLU 1 2HB GLU 1 14.691 15.485 0.137 6 HB3 GLU 1 1HB GLU 1 14.322 14.935 1.771 7 HG2 GLU 1 2HG GLU 1 17.142 14.767 0.728 8 HG3 GLU 1 1HG GLU 1 16.522 16.292 1.360 9 H ALA 2 H ALA 2 16.409 11.979 2.053 10 HA ALA 2 HA ALA 2 14.074 11.065 3.682 11 HB1 ALA 2 3HB ALA 2 16.259 9.277 2.566 12 HB2 ALA 2 1HB ALA 2 14.658 9.439 1.846 13 HB3 ALA 2 2HB ALA 2 14.832 8.761 3.464 14 H TYR 3 H TYR 3 14.607 11.755 5.726 15 HA TYR 3 HA TYR 3 17.400 11.262 6.693 16 HD1 TYR 3 HD2 TYR 3 14.596 14.145 5.398 17 HD2 TYR 3 HD1 TYR 3 15.780 13.814 9.514 18 HE1 TYR 3 HE2 TYR 3 12.472 15.217 6.097 19 HE2 TYR 3 HE1 TYR 3 13.657 14.887 10.212 20 HH TYR 3 HH TYR 3 11.895 16.661 8.652 21 HB2 TYR 3 2HB TYR 3 17.385 13.460 7.724 22 HB3 TYR 3 1HB TYR 3 16.932 13.655 6.033 23 H VAL 4 H VAL 4 17.543 10.517 8.812 24 HA VAL 4 HA VAL 4 16.875 9.573 10.854 25 HB VAL 4 HB VAL 4 14.574 11.504 10.393 26 HG11 VAL 4 1HG1 VAL 4 13.885 9.846 12.024 27 HG12 VAL 4 2HG1 VAL 4 14.306 11.324 12.888 28 HG13 VAL 4 3HG1 VAL 4 15.432 9.967 12.862 29 HG21 VAL 4 3HG2 VAL 4 15.854 12.946 11.933 30 HG22 VAL 4 1HG2 VAL 4 16.824 12.539 10.518 31 HG23 VAL 4 2HG2 VAL 4 17.111 11.715 12.050 32 H GLN 5 H GLN 5 13.662 10.006 9.302 33 HA GLN 5 HA GLN 5 13.019 7.179 9.850 34 HB2 GLN 5 2HB GLN 5 11.562 9.582 8.720 35 HB3 GLN 5 1HB GLN 5 10.812 7.988 8.805 36 HG2 GLN 5 2HG GLN 5 12.108 8.774 11.316 37 HG3 GLN 5 1HG GLN 5 10.808 9.867 10.839 38 HE21 GLN 5 1HE2 GLN 5 8.675 8.718 10.213 39 HE22 GLN 5 2HE2 GLN 5 8.268 7.312 11.073 40 H GLY 6 H GLY 6 15.006 6.820 8.180 41 HA2 GLY 6 2HA GLY 6 14.522 7.137 5.375 42 HA3 GLY 6 1HA GLY 6 15.661 5.992 6.084 43 H TRP 7 H TRP 7 13.878 4.431 7.610 44 HA TRP 7 HA TRP 7 12.897 2.582 5.669 45 HD1 TRP 7 HD1 TRP 7 13.267 4.467 9.569 46 HE1 TRP 7 HE1 TRP 7 11.405 5.107 11.233 47 HE3 TRP 7 HE3 TRP 7 9.648 1.143 8.167 48 HZ2 TRP 7 HZ2 TRP 7 8.738 4.310 11.887 49 HZ3 TRP 7 HZ3 TRP 7 7.461 1.105 9.329 50 HH2 TRP 7 HH2 TRP 7 7.001 2.682 11.185 51 HB2 TRP 7 2HB TRP 7 12.109 1.371 7.590 52 HB3 TRP 7 1HB TRP 7 13.587 2.188 8.088 53 H GLU 8 H GLU 8 11.246 5.189 7.455 54 HA GLU 8 HA GLU 8 8.567 4.494 6.641 55 HB2 GLU 8 2HB GLU 8 9.544 6.111 8.482 56 HB3 GLU 8 1HB GLU 8 9.513 7.303 7.182 57 HG2 GLU 8 2HG GLU 8 7.396 7.598 8.108 58 HG3 GLU 8 1HG GLU 8 7.049 6.427 6.836 59 H ALA 9 H ALA 9 11.098 6.570 5.243 60 HA ALA 9 HA ALA 9 9.531 7.659 3.093 61 HB1 ALA 9 3HB ALA 9 11.669 8.597 3.864 62 HB2 ALA 9 1HB ALA 9 11.801 8.153 2.162 63 HB3 ALA 9 2HB ALA 9 12.504 7.114 3.400 64 H VAL 10 H VAL 10 11.563 4.746 3.391 65 HA VAL 10 HA VAL 10 11.396 3.887 0.662 66 HB VAL 10 HB VAL 10 11.826 2.488 3.320 67 HG11 VAL 10 1HG1 VAL 10 11.952 1.365 0.508 68 HG12 VAL 10 2HG1 VAL 10 10.983 0.774 1.858 69 HG13 VAL 10 3HG1 VAL 10 12.738 0.599 1.889 70 HG21 VAL 10 3HG2 VAL 10 14.176 2.360 2.407 71 HG22 VAL 10 1HG2 VAL 10 13.611 4.005 2.692 72 HG23 VAL 10 2HG2 VAL 10 13.646 3.357 1.053 73 H ALA 11 H ALA 11 9.329 3.275 3.503 74 HA ALA 11 HA ALA 11 7.552 1.389 2.274 75 HB1 ALA 11 3HB ALA 11 7.419 3.333 4.580 76 HB2 ALA 11 1HB ALA 11 7.517 1.572 4.634 77 HB3 ALA 11 2HB ALA 11 6.014 2.358 4.149 78 H ALA 12 H ALA 12 7.518 4.949 2.480 79 HA ALA 12 HA ALA 12 4.968 5.376 1.248 80 HB1 ALA 12 3HB ALA 12 6.193 7.633 0.689 81 HB2 ALA 12 1HB ALA 12 7.510 6.945 1.640 82 HB3 ALA 12 2HB ALA 12 5.930 7.204 2.379 83 H ALA 13 H ALA 13 8.260 5.088 -0.103 84 HA ALA 13 HA ALA 13 7.580 5.647 -2.833 85 HB1 ALA 13 3HB ALA 13 9.867 5.690 -2.048 86 HB2 ALA 13 1HB ALA 13 9.751 4.376 -3.218 87 HB3 ALA 13 2HB ALA 13 9.760 4.020 -1.490 88 H VAL 14 H VAL 14 7.650 2.622 -0.943 89 HA VAL 14 HA VAL 14 7.080 0.826 -3.105 90 HB VAL 14 HB VAL 14 6.526 0.722 -0.119 91 HG11 VAL 14 1HG1 VAL 14 5.102 -0.926 -1.105 92 HG12 VAL 14 2HG1 VAL 14 6.531 -1.798 -0.553 93 HG13 VAL 14 3HG1 VAL 14 6.343 -1.408 -2.262 94 HG21 VAL 14 3HG2 VAL 14 8.683 0.054 0.133 95 HG22 VAL 14 1HG2 VAL 14 8.937 0.751 -1.467 96 HG23 VAL 14 2HG2 VAL 14 8.623 -0.976 -1.298 97 H ALA 15 H ALA 15 4.979 2.651 -0.871 98 HA ALA 15 HA ALA 15 2.480 1.536 -1.727 99 HB1 ALA 15 3HB ALA 15 1.700 3.856 -0.799 100 HB2 ALA 15 1HB ALA 15 3.402 4.076 -0.391 101 HB3 ALA 15 2HB ALA 15 2.494 2.733 0.304 102 H SER 16 H SER 16 4.390 4.330 -2.866 103 HA SER 16 HA SER 16 2.480 5.328 -4.759 104 HG SER 16 HG SER 16 3.896 6.826 -6.354 105 HB2 SER 16 2HB SER 16 4.834 6.173 -3.762 106 HB3 SER 16 1HB SER 16 5.416 5.506 -5.285 107 H LYS 17 H LYS 17 5.096 2.913 -5.013 108 HA LYS 17 HA LYS 17 4.885 2.466 -7.843 109 HB2 LYS 17 2HB LYS 17 6.756 1.827 -6.254 110 HB3 LYS 17 1HB LYS 17 5.726 0.518 -5.676 111 HG2 LYS 17 2HG LYS 17 6.272 -0.763 -7.447 112 HG3 LYS 17 1HG LYS 17 5.785 0.509 -8.566 113 HD2 LYS 17 2HD LYS 17 8.379 0.861 -7.133 114 HD3 LYS 17 1HD LYS 17 8.319 -0.341 -8.421 115 HE2 LYS 17 2HE LYS 17 6.966 2.034 -9.329 116 HE3 LYS 17 1HE LYS 17 8.569 2.481 -8.713 117 HZ1 LYS 17 3HZ LYS 17 8.048 0.209 -10.562 118 HZ2 LYS 17 1HZ LYS 17 9.566 0.752 -10.030 119 HZ3 LYS 17 2HZ LYS 17 8.623 1.731 -11.050 120 H ILE 18 H ILE 18 3.113 1.174 -5.056 121 HA ILE 18 HA ILE 18 1.843 -1.044 -6.345 122 HB ILE 18 HB ILE 18 1.325 0.722 -3.962 123 HG12 ILE 18 2HG1 ILE 18 3.015 -1.124 -3.905 124 HG13 ILE 18 1HG1 ILE 18 1.715 -1.346 -2.739 125 HG21 ILE 18 1HG2 ILE 18 -0.552 -1.378 -5.075 126 HG22 ILE 18 2HG2 ILE 18 -0.922 0.305 -4.697 127 HG23 ILE 18 3HG2 ILE 18 -0.598 -0.840 -3.396 128 HD11 ILE 18 3HD1 ILE 18 2.515 -3.112 -4.847 129 HD12 ILE 18 1HD1 ILE 18 0.881 -2.548 -5.192 130 HD13 ILE 18 2HD1 ILE 18 1.234 -3.343 -3.659 131 H VAL 19 H VAL 19 0.858 2.376 -5.961 132 HA VAL 19 HA VAL 19 -1.683 2.104 -7.300 133 HB VAL 19 HB VAL 19 0.186 4.424 -6.719 134 HG11 VAL 19 1HG1 VAL 19 -2.195 5.632 -7.099 135 HG12 VAL 19 2HG1 VAL 19 -2.361 4.315 -8.261 136 HG13 VAL 19 3HG1 VAL 19 -1.012 5.444 -8.394 137 HG21 VAL 19 3HG2 VAL 19 -1.712 4.947 -5.088 138 HG22 VAL 19 1HG2 VAL 19 -0.759 3.512 -4.713 139 HG23 VAL 19 2HG2 VAL 19 -2.348 3.344 -5.457 140 H GLY 20 H GLY 20 1.577 3.029 -8.425 141 HA2 GLY 20 2HA GLY 20 0.774 3.641 -11.128 142 HA3 GLY 20 1HA GLY 20 2.423 3.314 -10.598 143 H LEU 21 H LEU 21 1.505 0.641 -9.456 144 HA LEU 21 HA LEU 21 1.389 -0.833 -12.060 145 HG LEU 21 HG LEU 21 2.327 -2.927 -12.060 146 HB2 LEU 21 2HB LEU 21 3.394 -0.778 -10.288 147 HB3 LEU 21 1HB LEU 21 2.422 -2.036 -9.527 148 HD11 LEU 21 1HD1 LEU 21 4.548 -2.600 -13.109 149 HD12 LEU 21 2HD1 LEU 21 4.985 -1.480 -11.819 150 HD13 LEU 21 3HD1 LEU 21 3.686 -1.071 -12.940 151 HD21 LEU 21 3HD2 LEU 21 3.089 -4.277 -10.205 152 HD22 LEU 21 1HD2 LEU 21 4.557 -3.313 -10.042 153 HD23 LEU 21 2HD2 LEU 21 4.332 -4.345 -11.455 154 H TRP 22 H TRP 22 -1.007 0.020 -10.550 155 HA TRP 22 HA TRP 22 -1.994 -2.535 -9.380 156 HD1 TRP 22 HD1 TRP 22 -3.747 -3.263 -8.147 157 HE1 TRP 22 HE1 TRP 22 -6.212 -3.371 -7.401 158 HE3 TRP 22 HE3 TRP 22 -5.026 1.659 -8.613 159 HZ2 TRP 22 HZ2 TRP 22 -8.431 -1.604 -7.048 160 HZ3 TRP 22 HZ3 TRP 22 -7.319 2.419 -8.065 161 HH2 TRP 22 HH2 TRP 22 -9.022 0.794 -7.283 162 HB2 TRP 22 2HB TRP 22 -2.191 -0.516 -8.027 163 HB3 TRP 22 1HB TRP 22 -3.001 0.328 -9.343 164 H ARG 23 H ARG 23 -3.632 -3.681 -10.358 165 HA ARG 23 HA ARG 23 -4.602 -2.771 -13.024 166 HE ARG 23 HE ARG 23 -3.327 -6.346 -16.034 167 HB2 ARG 23 2HB ARG 23 -3.584 -5.144 -12.015 168 HB3 ARG 23 1HB ARG 23 -5.318 -5.450 -12.009 169 HG2 ARG 23 2HG ARG 23 -4.832 -6.078 -14.181 170 HG3 ARG 23 1HG ARG 23 -5.140 -4.360 -14.446 171 HD2 ARG 23 2HD ARG 23 -2.791 -3.844 -14.452 172 HD3 ARG 23 1HD ARG 23 -2.373 -5.463 -13.856 173 HH11 ARG 23 2HH1 ARG 23 -0.796 -4.507 -16.253 174 HH12 ARG 23 1HH1 ARG 23 -1.193 -3.637 -17.697 175 HH21 ARG 23 1HH2 ARG 23 -4.534 -4.598 -17.670 176 HH22 ARG 23 2HH2 ARG 23 -3.319 -3.687 -18.501 177 H ASN 24 H ASN 24 -7.051 -4.048 -13.177 178 HA ASN 24 HA ASN 24 -8.935 -2.355 -12.022 179 HB2 ASN 24 2HB ASN 24 -8.857 -5.086 -13.144 180 HB3 ASN 24 1HB ASN 24 -10.238 -4.784 -12.091 181 HD21 ASN 24 1HD2 ASN 24 -8.469 -2.889 -14.632 182 HD22 ASN 24 2HD2 ASN 24 -9.881 -2.365 -15.412 183 H GLU 25 H GLU 25 -7.682 -5.399 -10.610 184 HA GLU 25 HA GLU 25 -8.167 -4.386 -7.889 185 HB2 GLU 25 2HB GLU 25 -9.739 -6.186 -7.311 186 HB3 GLU 25 1HB GLU 25 -10.373 -5.254 -8.665 187 HG2 GLU 25 2HG GLU 25 -9.501 -6.959 -10.237 188 HG3 GLU 25 1HG GLU 25 -8.897 -7.899 -8.873 189 H LYS 26 H LYS 26 -5.816 -5.289 -9.397 190 HA LYS 26 HA LYS 26 -4.855 -7.380 -7.520 191 HB2 LYS 26 2HB LYS 26 -5.919 -8.436 -9.551 192 HB3 LYS 26 1HB LYS 26 -4.696 -7.637 -10.537 193 HG2 LYS 26 2HG LYS 26 -3.407 -9.460 -10.174 194 HG3 LYS 26 1HG LYS 26 -3.199 -8.853 -8.533 195 HD2 LYS 26 2HD LYS 26 -4.256 -10.679 -7.758 196 HD3 LYS 26 1HD LYS 26 -5.718 -10.155 -8.595 197 HE2 LYS 26 2HE LYS 26 -5.416 -11.640 -10.321 198 HE3 LYS 26 1HE LYS 26 -3.652 -11.457 -10.300 199 HZ1 LYS 26 3HZ LYS 26 -4.406 -13.637 -9.440 200 HZ2 LYS 26 1HZ LYS 26 -5.220 -12.840 -8.185 201 HZ3 LYS 26 2HZ LYS 26 -3.526 -12.743 -8.294 202 H THR 27 H THR 27 -2.547 -7.387 -7.345 203 HA THR 27 HA THR 27 -0.949 -5.586 -9.064 204 HB THR 27 HB THR 27 -2.061 -4.262 -7.173 205 HG1 THR 27 HG1 THR 27 -0.217 -3.478 -8.155 206 HG21 THR 27 3HG2 THR 27 -1.303 -4.550 -4.936 207 HG22 THR 27 1HG2 THR 27 -0.013 -5.645 -5.434 208 HG23 THR 27 2HG2 THR 27 -1.695 -6.172 -5.505 209 H GLU 28 H GLU 28 1.442 -5.676 -8.165 210 HA GLU 28 HA GLU 28 1.968 -8.386 -7.005 211 HB2 GLU 28 2HB GLU 28 3.897 -8.456 -8.696 212 HB3 GLU 28 1HB GLU 28 2.275 -8.639 -9.357 213 HG2 GLU 28 2HG GLU 28 2.251 -6.447 -10.230 214 HG3 GLU 28 1HG GLU 28 3.569 -5.919 -9.186 215 H LEU 29 H LEU 29 3.316 -8.249 -5.263 216 HA LEU 29 HA LEU 29 4.976 -5.775 -4.952 217 HG LEU 29 HG LEU 29 3.003 -5.062 -4.032 218 HB2 LEU 29 2HB LEU 29 3.406 -7.552 -3.141 219 HB3 LEU 29 1HB LEU 29 4.860 -6.811 -2.475 220 HD11 LEU 29 1HD1 LEU 29 1.735 -4.644 -1.875 221 HD12 LEU 29 2HD1 LEU 29 2.469 -6.117 -1.244 222 HD13 LEU 29 3HD1 LEU 29 1.400 -6.195 -2.644 223 HD21 LEU 29 3HD2 LEU 29 4.460 -4.588 -1.420 224 HD22 LEU 29 1HD2 LEU 29 3.842 -3.381 -2.547 225 HD23 LEU 29 2HD2 LEU 29 5.231 -4.372 -2.991 226 H LEU 30 H LEU 30 7.156 -6.086 -5.143 227 HA LEU 30 HA LEU 30 9.262 -7.134 -5.205 228 HG LEU 30 HG LEU 30 10.768 -8.437 -3.854 229 HB2 LEU 30 2HB LEU 30 8.059 -7.609 -2.792 230 HB3 LEU 30 1HB LEU 30 8.398 -9.254 -3.329 231 HD11 LEU 30 1HD1 LEU 30 10.458 -6.062 -3.844 232 HD12 LEU 30 2HD1 LEU 30 11.415 -6.437 -2.411 233 HD13 LEU 30 3HD1 LEU 30 9.690 -6.102 -2.257 234 HD21 LEU 30 3HD2 LEU 30 10.055 -8.209 -0.927 235 HD22 LEU 30 1HD2 LEU 30 11.500 -8.917 -1.649 236 HD23 LEU 30 2HD2 LEU 30 9.950 -9.748 -1.781 237 H GLY 31 H GLY 31 7.081 -8.137 -7.045 238 HA2 GLY 31 2HA GLY 31 7.254 -9.743 -8.802 239 HA3 GLY 31 1HA GLY 31 8.453 -10.619 -7.854 240 H HIS 32 H HIS 32 6.114 -10.126 -5.631 241 HA HIS 32 HA HIS 32 4.968 -12.818 -6.051 242 HD1 HIS 32 HD1 HIS 32 6.411 -14.118 -4.640 243 HD2 HIS 32 HD2 HIS 32 7.143 -10.581 -2.563 244 HE1 HIS 32 HE1 HIS 32 8.758 -14.308 -3.707 245 HB2 HIS 32 2HB HIS 32 4.711 -10.787 -3.807 246 HB3 HIS 32 1HB HIS 32 4.189 -12.467 -3.733 247 H GLU 33 H GLU 33 2.611 -13.135 -5.900 248 HA GLU 33 HA GLU 33 1.111 -11.066 -7.362 249 HB2 GLU 33 2HB GLU 33 1.126 -13.839 -7.197 250 HB3 GLU 33 1HB GLU 33 -0.342 -13.397 -6.325 251 HG2 GLU 33 2HG GLU 33 -0.939 -11.908 -8.289 252 HG3 GLU 33 1HG GLU 33 0.407 -12.643 -9.160 253 H CYS 34 H CYS 34 -0.464 -9.738 -6.467 254 HA CYS 34 HA CYS 34 -1.301 -10.199 -3.641 255 HB2 CYS 34 2HB CYS 34 -0.068 -7.701 -4.836 256 HB3 CYS 34 1HB CYS 34 -0.838 -7.748 -3.252 257 H LYS 35 H LYS 35 -3.168 -8.712 -3.079 258 HA LYS 35 HA LYS 35 -4.831 -8.097 -5.495 259 HB2 LYS 35 2HB LYS 35 -5.422 -10.133 -4.103 260 HB3 LYS 35 1HB LYS 35 -5.784 -9.027 -2.778 261 HG2 LYS 35 2HG LYS 35 -7.880 -9.049 -3.691 262 HG3 LYS 35 1HG LYS 35 -7.190 -7.841 -4.773 263 HD2 LYS 35 2HD LYS 35 -6.804 -9.438 -6.490 264 HD3 LYS 35 1HD LYS 35 -7.043 -10.796 -5.390 265 HE2 LYS 35 2HE LYS 35 -9.280 -8.824 -5.876 266 HE3 LYS 35 1HE LYS 35 -9.010 -10.180 -6.988 267 HZ1 LYS 35 3HZ LYS 35 -9.000 -11.677 -5.053 268 HZ2 LYS 35 1HZ LYS 35 -10.485 -10.877 -5.225 269 HZ3 LYS 35 2HZ LYS 35 -9.380 -10.366 -4.040 270 H PHE 36 H PHE 36 -4.979 -5.913 -5.635 271 HA PHE 36 HA PHE 36 -5.289 -4.296 -3.126 272 HD1 PHE 36 HD2 PHE 36 -5.630 -2.361 -2.790 273 HD2 PHE 36 HD1 PHE 36 -2.901 -1.433 -5.978 274 HE1 PHE 36 HE2 PHE 36 -5.739 0.038 -2.191 275 HE2 PHE 36 HE1 PHE 36 -3.011 0.964 -5.369 276 HZ PHE 36 HZ PHE 36 -4.426 1.696 -3.478 277 HB2 PHE 36 2HB PHE 36 -3.238 -3.929 -4.479 278 HB3 PHE 36 1HB PHE 36 -4.227 -3.608 -5.894 279 H THR 37 H THR 37 -7.306 -3.266 -2.933 280 HA THR 37 HA THR 37 -8.896 -2.830 -5.429 281 HB THR 37 HB THR 37 -10.844 -3.668 -3.799 282 HG1 THR 37 HG1 THR 37 -8.658 -5.262 -2.977 283 HG21 THR 37 3HG2 THR 37 -10.546 -4.732 -5.884 284 HG22 THR 37 1HG2 THR 37 -10.341 -6.028 -4.706 285 HG23 THR 37 2HG2 THR 37 -8.928 -5.295 -5.464 286 H VAL 38 H VAL 38 -10.726 -1.344 -5.109 287 HA VAL 38 HA VAL 38 -10.458 0.479 -2.753 288 HB VAL 38 HB VAL 38 -9.289 1.207 -4.924 289 HG11 VAL 38 1HG1 VAL 38 -10.695 2.091 -6.701 290 HG12 VAL 38 2HG1 VAL 38 -12.155 1.686 -5.799 291 HG13 VAL 38 3HG1 VAL 38 -11.124 0.402 -6.430 292 HG21 VAL 38 3HG2 VAL 38 -10.022 2.735 -3.045 293 HG22 VAL 38 1HG2 VAL 38 -11.501 3.040 -3.957 294 HG23 VAL 38 2HG2 VAL 38 -9.939 3.511 -4.626 295 H LYS 39 H LYS 39 -12.474 1.557 -2.186 296 HA LYS 39 HA LYS 39 -14.914 0.948 -3.727 297 HB2 LYS 39 2HB LYS 39 -14.007 -0.860 -1.828 298 HB3 LYS 39 1HB LYS 39 -15.183 0.097 -0.926 299 HG2 LYS 39 2HG LYS 39 -16.947 -0.469 -2.376 300 HG3 LYS 39 1HG LYS 39 -15.851 -0.951 -3.670 301 HD2 LYS 39 2HD LYS 39 -15.670 -2.453 -1.097 302 HD3 LYS 39 1HD LYS 39 -17.079 -2.755 -2.113 303 HE2 LYS 39 2HE LYS 39 -15.071 -2.820 -3.983 304 HE3 LYS 39 1HE LYS 39 -14.252 -3.501 -2.564 305 HZ1 LYS 39 3HZ LYS 39 -15.386 -5.284 -3.625 306 HZ2 LYS 39 1HZ LYS 39 -16.822 -4.391 -3.763 307 HZ3 LYS 39 2HZ LYS 39 -16.283 -4.902 -2.234 308 HA PRO 40 HA PRO 40 -15.280 4.929 -1.584 309 HB2 PRO 40 2HB PRO 40 -16.845 6.104 -3.486 310 HB3 PRO 40 1HB PRO 40 -15.081 5.998 -3.620 311 HG2 PRO 40 2HG PRO 40 -17.180 4.398 -4.966 312 HG3 PRO 40 1HG PRO 40 -15.596 4.909 -5.561 313 HD2 PRO 40 2HD PRO 40 -16.208 2.377 -4.625 314 HD3 PRO 40 1HD PRO 40 -14.570 3.053 -4.752 315 H TYR 41 H TYR 41 -17.062 5.843 -0.436 316 HA TYR 41 HA TYR 41 -19.671 4.384 -0.661 317 HD1 TYR 41 HD1 TYR 41 -19.320 2.325 -0.046 318 HD2 TYR 41 HD2 TYR 41 -16.596 4.121 2.748 319 HE1 TYR 41 HE1 TYR 41 -18.005 0.225 0.021 320 HE2 TYR 41 HE2 TYR 41 -15.282 2.020 2.815 321 HH TYR 41 HH TYR 41 -16.425 -0.908 1.621 322 HB2 TYR 41 2HB TYR 41 -18.319 5.417 1.849 323 HB3 TYR 41 1HB TYR 41 -19.802 4.480 1.772 324 H LEU 42 H LEU 42 -21.245 5.840 0.910 325 HA LEU 42 HA LEU 42 -20.879 8.710 0.171 326 HG LEU 42 HG LEU 42 -22.636 9.931 -0.660 327 HB2 LEU 42 2HB LEU 42 -22.379 7.014 -1.312 328 HB3 LEU 42 1HB LEU 42 -23.583 7.514 -0.125 329 HD11 LEU 42 1HD1 LEU 42 -20.850 8.997 -2.158 330 HD12 LEU 42 2HD1 LEU 42 -21.897 10.167 -2.961 331 HD13 LEU 42 3HD1 LEU 42 -22.119 8.442 -3.251 332 HD21 LEU 42 3HD2 LEU 42 -24.408 10.183 -2.334 333 HD22 LEU 42 1HD2 LEU 42 -24.960 9.112 -1.047 334 HD23 LEU 42 2HD2 LEU 42 -24.441 8.439 -2.593 335 H LYS 43 H LYS 43 -21.792 10.151 1.630 336 HA LYS 43 HA LYS 43 -23.033 8.992 4.102 337 HB2 LYS 43 2HB LYS 43 -20.682 10.214 3.962 338 HB3 LYS 43 1HB LYS 43 -21.675 11.671 3.945 339 HG2 LYS 43 2HG LYS 43 -22.549 11.258 6.083 340 HG3 LYS 43 1HG LYS 43 -22.163 9.539 6.014 341 HD2 LYS 43 2HD LYS 43 -20.512 10.391 7.456 342 HD3 LYS 43 1HD LYS 43 -19.685 10.329 5.900 343 HE2 LYS 43 2HE LYS 43 -20.051 12.705 5.536 344 HE3 LYS 43 1HE LYS 43 -21.071 12.809 6.984 345 HZ1 LYS 43 3HZ LYS 43 -19.279 12.369 8.382 346 HZ2 LYS 43 1HZ LYS 43 -18.607 13.412 7.224 347 HZ3 LYS 43 2HZ LYS 43 -18.314 11.741 7.130 348 H ARG 44 H ARG 44 -24.432 10.772 5.229 349 HA ARG 44 HA ARG 44 -26.728 11.409 3.823 350 HE ARG 44 HE ARG 44 -29.100 11.752 7.920 351 HB2 ARG 44 2HB ARG 44 -25.291 12.717 6.127 352 HB3 ARG 44 1HB ARG 44 -26.853 13.326 5.579 353 HG2 ARG 44 2HG ARG 44 -27.933 11.242 6.034 354 HG3 ARG 44 1HG ARG 44 -26.392 10.414 6.260 355 HD2 ARG 44 2HD ARG 44 -26.205 11.117 8.423 356 HD3 ARG 44 1HD ARG 44 -26.772 12.753 8.030 357 HH11 ARG 44 2HH1 ARG 44 -28.365 11.865 10.762 358 HH12 ARG 44 1HH1 ARG 44 -28.610 10.238 11.303 359 HH21 ARG 44 1HH2 ARG 44 -28.632 8.901 8.093 360 HH22 ARG 44 2HH2 ARG 44 -28.761 8.552 9.784 361 H PHE 45 H PHE 45 -23.727 13.283 3.890 362 HA PHE 45 HA PHE 45 -24.588 14.799 1.516 363 HD1 PHE 45 HD2 PHE 45 -22.034 16.235 4.464 364 HD2 PHE 45 HD1 PHE 45 -26.207 15.601 5.267 365 HE1 PHE 45 HE2 PHE 45 -21.529 15.958 6.876 366 HE2 PHE 45 HE1 PHE 45 -25.701 15.325 7.679 367 HZ PHE 45 HZ PHE 45 -23.362 15.503 8.483 368 HB2 PHE 45 2HB PHE 45 -23.935 16.960 2.852 369 HB3 PHE 45 1HB PHE 45 -25.529 16.256 3.110 370 H GLN 46 H GLN 46 -22.477 12.882 1.890 371 HA GLN 46 HA GLN 46 -20.162 14.527 1.079 372 HB2 GLN 46 2HB GLN 46 -20.569 13.599 3.776 373 HB3 GLN 46 1HB GLN 46 -19.172 12.770 3.093 374 HG2 GLN 46 2HG GLN 46 -18.318 15.033 2.339 375 HG3 GLN 46 1HG GLN 46 -19.614 15.760 3.290 376 HE21 GLN 46 1HE2 GLN 46 -16.399 14.561 3.475 377 HE22 GLN 46 2HE2 GLN 46 -16.270 14.520 5.167 378 H VAL 47 H VAL 47 -18.264 13.040 0.527 379 HA VAL 47 HA VAL 47 -19.146 10.287 -0.271 380 HB VAL 47 HB VAL 47 -17.627 12.341 -1.925 381 HG11 VAL 47 1HG1 VAL 47 -16.833 10.092 -2.412 382 HG12 VAL 47 2HG1 VAL 47 -17.870 10.621 -3.736 383 HG13 VAL 47 3HG1 VAL 47 -18.488 9.494 -2.528 384 HG21 VAL 47 3HG2 VAL 47 -20.463 11.300 -1.977 385 HG22 VAL 47 1HG2 VAL 47 -19.713 11.974 -3.423 386 HG23 VAL 47 2HG2 VAL 47 -19.909 12.974 -1.984 387 H TYR 48 H TYR 48 -17.695 8.819 0.572 388 HA TYR 48 HA TYR 48 -14.945 9.809 1.241 389 HD1 TYR 48 HD1 TYR 48 -17.929 10.097 3.313 390 HD2 TYR 48 HD2 TYR 48 -13.791 9.178 4.008 391 HE1 TYR 48 HE1 TYR 48 -17.805 11.925 4.984 392 HE2 TYR 48 HE2 TYR 48 -13.666 11.003 5.681 393 HH TYR 48 HH TYR 48 -15.671 12.202 7.249 394 HB2 TYR 48 2HB TYR 48 -16.939 7.990 2.526 395 HB3 TYR 48 1HB TYR 48 -15.229 7.641 2.782 396 H TYR 49 H TYR 49 -13.160 8.504 0.697 397 HA TYR 49 HA TYR 49 -13.721 6.318 -1.272 398 HD1 TYR 49 HD2 TYR 49 -14.213 8.770 -2.644 399 HD2 TYR 49 HD1 TYR 49 -10.803 6.333 -3.587 400 HE1 TYR 49 HE2 TYR 49 -14.935 8.677 -5.014 401 HE2 TYR 49 HE1 TYR 49 -11.522 6.242 -5.958 402 HH TYR 49 HH TYR 49 -14.102 6.549 -7.106 403 HB2 TYR 49 2HB TYR 49 -11.993 8.639 -1.191 404 HB3 TYR 49 1HB TYR 49 -11.036 7.179 -1.426 405 H LYS 50 H LYS 50 -13.390 4.330 -0.391 406 HA LYS 50 HA LYS 50 -11.338 4.020 1.771 407 HB2 LYS 50 2HB LYS 50 -13.838 3.535 2.126 408 HB3 LYS 50 1HB LYS 50 -13.613 2.155 1.053 409 HG2 LYS 50 2HG LYS 50 -11.534 2.254 3.088 410 HG3 LYS 50 1HG LYS 50 -13.140 2.209 3.815 411 HD2 LYS 50 2HD LYS 50 -13.513 0.338 1.932 412 HD3 LYS 50 1HD LYS 50 -11.769 0.169 2.124 413 HE2 LYS 50 2HE LYS 50 -13.470 0.288 4.600 414 HE3 LYS 50 1HE LYS 50 -13.404 -1.226 3.678 415 HZ1 LYS 50 3HZ LYS 50 -11.564 -1.414 5.046 416 HZ2 LYS 50 1HZ LYS 50 -11.203 0.243 4.985 417 HZ3 LYS 50 2HZ LYS 50 -10.873 -0.747 3.644 418 H GLY 51 H GLY 51 -10.123 1.926 1.690 419 HA2 GLY 51 2HA GLY 51 -10.131 0.380 -0.768 420 HA3 GLY 51 1HA GLY 51 -8.742 1.456 -0.659 421 H ARG 52 H ARG 52 -8.604 -1.404 -0.681 422 HA ARG 52 HA ARG 52 -7.099 -1.825 1.830 423 HE ARG 52 HE ARG 52 -10.567 -5.163 3.122 424 HB2 ARG 52 2HB ARG 52 -9.409 -2.468 2.372 425 HB3 ARG 52 1HB ARG 52 -9.468 -3.511 0.950 426 HG2 ARG 52 2HG ARG 52 -8.449 -5.194 2.054 427 HG3 ARG 52 1HG ARG 52 -7.148 -4.129 2.586 428 HD2 ARG 52 2HD ARG 52 -8.064 -4.603 4.657 429 HD3 ARG 52 1HD ARG 52 -9.126 -3.253 4.215 430 HH11 ARG 52 2HH1 ARG 52 -10.749 -4.528 6.155 431 HH12 ARG 52 1HH1 ARG 52 -10.781 -6.133 6.804 432 HH21 ARG 52 1HH2 ARG 52 -9.690 -7.626 3.857 433 HH22 ARG 52 2HH2 ARG 52 -10.180 -7.897 5.497 434 H MET 53 H MET 53 -5.378 -3.278 1.479 435 HA MET 53 HA MET 53 -5.424 -4.915 -1.005 436 HB2 MET 53 2HB MET 53 -3.425 -3.948 -1.833 437 HB3 MET 53 1HB MET 53 -4.389 -2.581 -1.294 438 HG2 MET 53 2HG MET 53 -2.539 -1.969 -0.135 439 HG3 MET 53 1HG MET 53 -2.997 -3.242 0.995 440 HE1 MET 53 3HE MET 53 0.013 -2.510 -1.929 441 HE2 MET 53 1HE MET 53 -1.718 -2.501 -2.296 442 HE3 MET 53 2HE MET 53 -0.716 -3.863 -2.790 443 H TRP 54 H TRP 54 -4.096 -6.742 -0.924 444 HA TRP 54 HA TRP 54 -2.359 -7.239 1.409 445 HD1 TRP 54 HD1 TRP 54 -4.486 -10.913 0.133 446 HE1 TRP 54 HE1 TRP 54 -6.652 -11.045 -1.264 447 HE3 TRP 54 HE3 TRP 54 -6.461 -6.306 1.121 448 HZ2 TRP 54 HZ2 TRP 54 -8.914 -9.407 -1.886 449 HZ3 TRP 54 HZ3 TRP 54 -8.615 -5.617 0.110 450 HH2 TRP 54 HH2 TRP 54 -9.843 -7.160 -1.390 451 HB2 TRP 54 2HB TRP 54 -3.694 -9.269 2.043 452 HB3 TRP 54 1HB TRP 54 -4.586 -7.768 2.273 453 H CYS 55 H CYS 55 -1.391 -9.557 1.178 454 HA CYS 55 HA CYS 55 -1.126 -10.190 -1.736 455 HB2 CYS 55 2HB CYS 55 0.861 -10.071 0.519 456 HB3 CYS 55 1HB CYS 55 1.230 -10.898 -0.989 457 HA PRO 56 HA PRO 56 -2.594 -14.035 0.241 458 HB2 PRO 56 2HB PRO 56 -4.185 -14.809 -1.849 459 HB3 PRO 56 1HB PRO 56 -4.731 -13.693 -0.583 460 HG2 PRO 56 2HG PRO 56 -3.871 -13.126 -3.359 461 HG3 PRO 56 1HG PRO 56 -5.077 -12.307 -2.357 462 HD2 PRO 56 2HD PRO 56 -2.516 -11.382 -2.847 463 HD3 PRO 56 1HD PRO 56 -3.548 -10.861 -1.512 464 H GLY 57 H GLY 57 -0.323 -14.695 -0.095 465 HA2 GLY 57 2HA GLY 57 0.191 -16.978 -1.493 466 HA3 GLY 57 1HA GLY 57 0.483 -15.737 -2.713 467 H TRP 58 H TRP 58 1.646 -13.718 -1.232 468 HA TRP 58 HA TRP 58 4.351 -14.700 -0.856 469 HD1 TRP 58 HD1 TRP 58 6.168 -14.144 -0.091 470 HE1 TRP 58 HE1 TRP 58 8.250 -12.704 0.383 471 HE3 TRP 58 HE3 TRP 58 4.171 -9.478 -0.672 472 HZ2 TRP 58 HZ2 TRP 58 8.978 -9.942 0.500 473 HZ3 TRP 58 HZ3 TRP 58 5.580 -7.462 -0.373 474 HH2 TRP 58 HH2 TRP 58 7.980 -7.688 0.211 475 HB2 TRP 58 2HB TRP 58 3.617 -12.446 -1.739 476 HB3 TRP 58 1HB TRP 58 3.117 -12.029 -0.106 477 H THR 59 H THR 59 1.991 -13.188 1.390 478 HA THR 59 HA THR 59 2.954 -14.913 3.584 479 HB THR 59 HB THR 59 4.499 -12.955 3.466 480 HG1 THR 59 HG1 THR 59 4.429 -13.454 5.505 481 HG21 THR 59 3HG2 THR 59 2.067 -11.283 4.145 482 HG22 THR 59 1HG2 THR 59 2.731 -11.403 2.516 483 HG23 THR 59 2HG2 THR 59 3.703 -10.714 3.816 484 H ALA 60 H ALA 60 1.722 -13.437 5.670 485 HA ALA 60 HA ALA 60 -1.157 -13.430 4.827 486 HB1 ALA 60 3HB ALA 60 0.068 -14.307 7.463 487 HB2 ALA 60 1HB ALA 60 -0.381 -15.407 6.160 488 HB3 ALA 60 2HB ALA 60 -1.624 -14.470 6.990 489 H ILE 61 H ILE 61 -0.426 -11.007 4.553 490 HA ILE 61 HA ILE 61 -1.056 -9.585 7.106 491 HB ILE 61 HB ILE 61 1.261 -9.181 5.198 492 HG12 ILE 61 2HG1 ILE 61 1.083 -9.438 8.220 493 HG13 ILE 61 1HG1 ILE 61 1.557 -10.729 7.116 494 HG21 ILE 61 1HG2 ILE 61 0.287 -6.972 5.541 495 HG22 ILE 61 2HG2 ILE 61 1.759 -7.099 6.504 496 HG23 ILE 61 3HG2 ILE 61 0.182 -7.253 7.279 497 HD11 ILE 61 3HD1 ILE 61 3.382 -9.119 6.283 498 HD12 ILE 61 1HD1 ILE 61 3.607 -9.814 7.889 499 HD13 ILE 61 2HD1 ILE 61 3.023 -8.159 7.718 500 H ARG 62 H ARG 62 -2.029 -7.462 6.738 501 HA ARG 62 HA ARG 62 -2.841 -6.866 3.936 502 HE ARG 62 HE ARG 62 -5.635 -9.840 8.184 503 HB2 ARG 62 2HB ARG 62 -5.172 -6.434 4.970 504 HB3 ARG 62 1HB ARG 62 -4.692 -8.106 4.712 505 HG2 ARG 62 2HG ARG 62 -3.917 -8.185 7.103 506 HG3 ARG 62 1HG ARG 62 -4.578 -6.565 7.322 507 HD2 ARG 62 2HD ARG 62 -6.525 -7.617 7.868 508 HD3 ARG 62 1HD ARG 62 -6.680 -7.965 6.135 509 HH11 ARG 62 2HH1 ARG 62 -7.846 -10.578 6.318 510 HH12 ARG 62 1HH1 ARG 62 -7.026 -11.531 5.128 511 HH21 ARG 62 1HH2 ARG 62 -3.865 -10.392 6.019 512 HH22 ARG 62 2HH2 ARG 62 -4.761 -11.425 4.957 513 H GLY 63 H GLY 63 -3.836 -4.673 3.773 514 HA2 GLY 63 2HA GLY 63 -3.401 -2.785 5.969 515 HA3 GLY 63 1HA GLY 63 -2.279 -2.578 4.627 516 H GLU 64 H GLU 64 -4.949 -1.244 5.769 517 HA GLU 64 HA GLU 64 -5.976 -0.586 3.045 518 HB2 GLU 64 2HB GLU 64 -8.277 -0.738 4.046 519 HB3 GLU 64 1HB GLU 64 -7.430 -2.280 3.996 520 HG2 GLU 64 2HG GLU 64 -7.188 -2.379 6.286 521 HG3 GLU 64 1HG GLU 64 -7.096 -0.626 6.457 522 H ALA 65 H ALA 65 -7.301 1.439 3.067 523 HA ALA 65 HA ALA 65 -6.983 3.244 5.378 524 HB1 ALA 65 3HB ALA 65 -5.359 3.342 2.859 525 HB2 ALA 65 1HB ALA 65 -4.853 3.643 4.522 526 HB3 ALA 65 2HB ALA 65 -5.789 4.858 3.650 527 H SER 66 H SER 66 -8.116 5.324 4.996 528 HA SER 66 HA SER 66 -9.910 5.396 2.615 529 HG SER 66 HG SER 66 -10.662 3.650 5.555 530 HB2 SER 66 2HB SER 66 -10.900 5.728 5.454 531 HB3 SER 66 1HB SER 66 -11.868 5.563 3.996 532 H THR 67 H THR 67 -10.687 7.526 2.150 533 HA THR 67 HA THR 67 -10.261 9.819 3.853 534 HB THR 67 HB THR 67 -7.909 9.197 3.324 535 HG1 THR 67 HG1 THR 67 -7.788 11.278 3.496 536 HG21 THR 67 3HG2 THR 67 -8.480 9.916 0.454 537 HG22 THR 67 1HG2 THR 67 -8.609 8.251 1.020 538 HG23 THR 67 2HG2 THR 67 -7.068 9.100 1.125 539 H ARG 68 H ARG 68 -10.245 11.905 2.238 540 HA ARG 68 HA ARG 68 -12.656 11.606 0.580 541 HE ARG 68 HE ARG 68 -12.217 12.320 4.042 542 HB2 ARG 68 2HB ARG 68 -10.899 13.810 1.612 543 HB3 ARG 68 1HB ARG 68 -11.984 14.159 0.266 544 HG2 ARG 68 2HG ARG 68 -13.787 14.186 1.619 545 HG3 ARG 68 1HG ARG 68 -13.346 12.638 2.338 546 HD2 ARG 68 2HD ARG 68 -11.692 14.984 3.152 547 HD3 ARG 68 1HD ARG 68 -13.352 14.922 3.774 548 HH11 ARG 68 2HH1 ARG 68 -13.542 13.543 6.341 549 HH12 ARG 68 1HH1 ARG 68 -12.233 13.919 7.412 550 HH21 ARG 68 1HH2 ARG 68 -9.795 13.657 4.948 551 HH22 ARG 68 2HH2 ARG 68 -10.103 13.989 6.621 552 H SER 69 H SER 69 -9.178 12.057 0.086 553 HA SER 69 HA SER 69 -9.259 12.732 -2.707 554 HG SER 69 HG SER 69 -6.331 11.596 -0.197 555 HB2 SER 69 2HB SER 69 -6.851 11.447 -2.272 556 HB3 SER 69 1HB SER 69 -7.156 13.148 -1.949 557 H GLN 70 H GLN 70 -9.058 11.376 -4.533 558 HA GLN 70 HA GLN 70 -10.108 8.648 -4.240 559 HB2 GLN 70 2HB GLN 70 -9.220 10.312 -6.620 560 HB3 GLN 70 1HB GLN 70 -10.046 8.759 -6.740 561 HG2 GLN 70 2HG GLN 70 -11.987 9.674 -5.546 562 HG3 GLN 70 1HG GLN 70 -11.162 11.222 -5.362 563 HE21 GLN 70 1HE2 GLN 70 -10.293 12.077 -7.667 564 HE22 GLN 70 2HE2 GLN 70 -11.422 11.968 -8.929 565 H SER 71 H SER 71 -7.182 10.063 -5.760 566 HA SER 71 HA SER 71 -5.857 7.489 -6.035 567 HG SER 71 HG SER 71 -5.306 10.019 -8.407 568 HB2 SER 71 2HB SER 71 -4.545 10.206 -6.088 569 HB3 SER 71 1HB SER 71 -4.149 8.782 -7.043 570 H GLY 72 H GLY 72 -5.845 10.088 -3.640 571 HA2 GLY 72 2HA GLY 72 -3.479 9.422 -2.223 572 HA3 GLY 72 1HA GLY 72 -4.879 10.221 -1.510 573 H VAL 73 H VAL 73 -6.790 8.106 -1.922 574 HA VAL 73 HA VAL 73 -6.301 6.496 0.397 575 HB VAL 73 HB VAL 73 -8.481 7.164 -0.958 576 HG11 VAL 73 1HG1 VAL 73 -7.686 5.793 -2.964 577 HG12 VAL 73 2HG1 VAL 73 -9.331 5.478 -2.416 578 HG13 VAL 73 3HG1 VAL 73 -8.033 4.360 -1.997 579 HG21 VAL 73 3HG2 VAL 73 -7.863 4.764 0.715 580 HG22 VAL 73 1HG2 VAL 73 -9.469 4.882 -0.003 581 HG23 VAL 73 2HG2 VAL 73 -8.892 6.149 1.079 582 H ALA 74 H ALA 74 -5.711 5.912 -3.054 583 HA ALA 74 HA ALA 74 -5.158 3.105 -2.879 584 HB1 ALA 74 3HB ALA 74 -5.571 4.654 -4.913 585 HB2 ALA 74 1HB ALA 74 -4.353 3.392 -5.100 586 HB3 ALA 74 2HB ALA 74 -3.858 5.055 -4.788 587 H GLY 75 H GLY 75 -2.984 5.949 -2.770 588 HA2 GLY 75 2HA GLY 75 -0.596 4.406 -2.308 589 HA3 GLY 75 1HA GLY 75 -0.768 6.137 -2.009 590 H LYS 76 H LYS 76 -3.088 5.790 -0.243 591 HA LYS 76 HA LYS 76 -1.726 5.455 2.271 592 HB2 LYS 76 2HB LYS 76 -3.806 6.859 1.547 593 HB3 LYS 76 1HB LYS 76 -4.712 5.375 1.840 594 HG2 LYS 76 2HG LYS 76 -4.798 6.601 3.886 595 HG3 LYS 76 1HG LYS 76 -3.612 5.321 4.145 596 HD2 LYS 76 2HD LYS 76 -1.945 7.197 3.217 597 HD3 LYS 76 1HD LYS 76 -3.196 8.264 3.858 598 HE2 LYS 76 2HE LYS 76 -1.713 7.929 5.696 599 HE3 LYS 76 1HE LYS 76 -3.047 6.801 6.009 600 HZ1 LYS 76 3HZ LYS 76 -1.647 5.218 4.527 601 HZ2 LYS 76 1HZ LYS 76 -1.223 5.420 6.156 602 HZ3 LYS 76 2HZ LYS 76 -0.354 6.238 4.948 603 H THR 77 H THR 77 -3.990 3.392 0.416 604 HA THR 77 HA THR 77 -4.250 1.310 2.378 605 HB THR 77 HB THR 77 -4.558 1.515 -0.628 606 HG1 THR 77 HG1 THR 77 -6.257 2.439 0.254 607 HG21 THR 77 3HG2 THR 77 -5.830 -0.711 -0.334 608 HG22 THR 77 1HG2 THR 77 -4.915 -0.885 1.163 609 HG23 THR 77 2HG2 THR 77 -4.069 -0.782 -0.380 610 H ALA 78 H ALA 78 -1.982 1.788 -0.336 611 HA ALA 78 HA ALA 78 -0.606 -0.733 -0.001 612 HB1 ALA 78 3HB ALA 78 -0.691 0.735 -2.050 613 HB2 ALA 78 1HB ALA 78 0.945 0.255 -1.596 614 HB3 ALA 78 2HB ALA 78 0.362 1.875 -1.212 615 H LYS 79 H LYS 79 -0.151 2.530 1.310 616 HA LYS 79 HA LYS 79 2.437 2.103 2.494 617 HB2 LYS 79 2HB LYS 79 1.069 4.249 1.988 618 HB3 LYS 79 1HB LYS 79 0.271 3.937 3.527 619 HG2 LYS 79 2HG LYS 79 2.250 4.235 4.759 620 HG3 LYS 79 1HG LYS 79 3.278 3.970 3.350 621 HD2 LYS 79 2HD LYS 79 1.396 6.330 3.571 622 HD3 LYS 79 1HD LYS 79 3.070 6.394 4.121 623 HE2 LYS 79 2HE LYS 79 3.636 6.928 1.985 624 HE3 LYS 79 1HE LYS 79 3.202 5.265 1.542 625 HZ1 LYS 79 3HZ LYS 79 1.338 7.579 1.690 626 HZ2 LYS 79 1HZ LYS 79 0.882 5.982 1.346 627 HZ3 LYS 79 2HZ LYS 79 1.884 6.829 0.267 628 H ASP 80 H ASP 80 -0.895 1.688 3.716 629 HA ASP 80 HA ASP 80 -0.149 1.047 6.425 630 HB2 ASP 80 2HB ASP 80 -2.538 0.930 4.667 631 HB3 ASP 80 1HB ASP 80 -2.554 -0.173 6.044 632 H PHE 81 H PHE 81 -0.661 -0.943 3.512 633 HA PHE 81 HA PHE 81 -0.383 -3.496 4.838 634 HD1 PHE 81 HD1 PHE 81 2.093 -3.819 1.580 635 HD2 PHE 81 HD2 PHE 81 -1.494 -5.699 3.012 636 HE1 PHE 81 HE1 PHE 81 3.026 -6.040 1.000 637 HE2 PHE 81 HE2 PHE 81 -0.558 -7.920 2.432 638 HZ PHE 81 HZ PHE 81 1.700 -8.092 1.426 639 HB2 PHE 81 2HB PHE 81 -1.405 -3.295 2.645 640 HB3 PHE 81 1HB PHE 81 0.038 -2.522 1.991 641 H VAL 82 H VAL 82 1.932 -1.294 3.241 642 HA VAL 82 HA VAL 82 4.227 -3.016 3.499 643 HB VAL 82 HB VAL 82 3.825 -0.025 3.189 644 HG11 VAL 82 1HG1 VAL 82 6.333 -1.654 3.448 645 HG12 VAL 82 2HG1 VAL 82 5.986 -0.032 4.050 646 HG13 VAL 82 3HG1 VAL 82 6.318 -0.284 2.337 647 HG21 VAL 82 3HG2 VAL 82 3.301 -1.949 1.397 648 HG22 VAL 82 1HG2 VAL 82 5.036 -1.807 1.117 649 HG23 VAL 82 2HG2 VAL 82 3.992 -0.400 0.914 650 H ARG 83 H ARG 83 2.784 -0.536 5.615 651 HA ARG 83 HA ARG 83 4.911 -0.443 7.546 652 HE ARG 83 HE ARG 83 1.514 2.297 9.734 653 HB2 ARG 83 2HB ARG 83 2.479 0.809 7.056 654 HB3 ARG 83 1HB ARG 83 2.185 -0.057 8.563 655 HG2 ARG 83 2HG ARG 83 3.700 1.201 9.744 656 HG3 ARG 83 1HG ARG 83 4.772 1.401 8.358 657 HD2 ARG 83 2HD ARG 83 3.676 3.552 8.996 658 HD3 ARG 83 1HD ARG 83 3.190 3.036 7.369 659 HH11 ARG 83 2HH1 ARG 83 1.556 2.524 6.399 660 HH12 ARG 83 1HH1 ARG 83 0.047 3.365 6.251 661 HH21 ARG 83 1HH2 ARG 83 -0.275 3.921 9.671 662 HH22 ARG 83 2HH2 ARG 83 -0.997 4.149 8.114 663 H LYS 84 H LYS 84 1.999 -2.503 7.277 664 HA LYS 84 HA LYS 84 2.335 -3.828 9.819 665 HB2 LYS 84 2HB LYS 84 0.419 -3.694 7.886 666 HB3 LYS 84 1HB LYS 84 1.104 -5.282 7.537 667 HG2 LYS 84 2HG LYS 84 -0.491 -5.852 9.126 668 HG3 LYS 84 1HG LYS 84 0.917 -5.590 10.158 669 HD2 LYS 84 2HD LYS 84 0.039 -3.085 10.155 670 HD3 LYS 84 1HD LYS 84 -1.498 -3.860 9.771 671 HE2 LYS 84 2HE LYS 84 -1.544 -5.061 11.806 672 HE3 LYS 84 1HE LYS 84 0.197 -4.851 12.070 673 HZ1 LYS 84 3HZ LYS 84 -0.105 -2.513 12.375 674 HZ2 LYS 84 1HZ LYS 84 -1.198 -3.307 13.403 675 HZ3 LYS 84 2HZ LYS 84 -1.751 -2.608 11.956 676 H ALA 85 H ALA 85 3.456 -4.574 6.515 677 HA ALA 85 HA ALA 85 4.685 -7.112 7.241 678 HB1 ALA 85 3HB ALA 85 4.191 -6.971 4.983 679 HB2 ALA 85 1HB ALA 85 5.873 -6.442 4.934 680 HB3 ALA 85 2HB ALA 85 4.573 -5.250 4.905 681 H PHE 86 H PHE 86 5.741 -3.743 7.181 682 HA PHE 86 HA PHE 86 8.579 -4.313 7.416 683 HD1 PHE 86 HD2 PHE 86 9.776 -1.571 9.231 684 HD2 PHE 86 HD1 PHE 86 8.821 -2.147 5.081 685 HE1 PHE 86 HE2 PHE 86 12.074 -0.882 8.605 686 HE2 PHE 86 HE1 PHE 86 11.118 -1.457 4.457 687 HZ PHE 86 HZ PHE 86 12.744 -0.827 6.219 688 HB2 PHE 86 2HB PHE 86 7.086 -2.156 6.747 689 HB3 PHE 86 1HB PHE 86 7.424 -1.763 8.432 690 H GLN 87 H GLN 87 5.943 -3.633 9.737 691 HA GLN 87 HA GLN 87 7.619 -3.426 12.072 692 HB2 GLN 87 2HB GLN 87 4.978 -3.046 11.436 693 HB3 GLN 87 1HB GLN 87 4.893 -4.537 12.373 694 HG2 GLN 87 2HG GLN 87 5.293 -3.443 14.306 695 HG3 GLN 87 1HG GLN 87 6.685 -2.608 13.617 696 HE21 GLN 87 1HE2 GLN 87 6.386 -0.374 13.720 697 HE22 GLN 87 2HE2 GLN 87 4.905 0.422 13.488 698 H LYS 88 H LYS 88 6.031 -6.187 10.472 699 HA LYS 88 HA LYS 88 6.719 -8.113 12.536 700 HB2 LYS 88 2HB LYS 88 5.640 -8.125 9.732 701 HB3 LYS 88 1HB LYS 88 6.181 -9.647 10.440 702 HG2 LYS 88 2HG LYS 88 4.266 -7.791 11.868 703 HG3 LYS 88 1HG LYS 88 3.712 -9.067 10.784 704 HD2 LYS 88 2HD LYS 88 3.941 -10.580 12.431 705 HD3 LYS 88 1HD LYS 88 5.659 -10.197 12.550 706 HE2 LYS 88 2HE LYS 88 4.872 -8.128 13.942 707 HE3 LYS 88 1HE LYS 88 3.360 -9.038 14.126 708 HZ1 LYS 88 3HZ LYS 88 6.091 -9.814 14.952 709 HZ2 LYS 88 1HZ LYS 88 4.904 -10.995 14.679 710 HZ3 LYS 88 2HZ LYS 88 4.664 -9.812 15.874 711 H GLY 89 H GLY 89 7.998 -7.559 9.222 712 HA2 GLY 89 2HA GLY 89 10.583 -7.416 9.260 713 HA3 GLY 89 1HA GLY 89 10.468 -8.996 10.028 714 H LEU 90 H LEU 90 8.819 -7.511 7.202 715 HA LEU 90 HA LEU 90 9.677 -9.906 5.620 716 HG LEU 90 HG LEU 90 7.384 -10.640 7.030 717 HB2 LEU 90 2HB LEU 90 7.075 -8.473 5.967 718 HB3 LEU 90 1HB LEU 90 7.419 -9.162 4.381 719 HD11 LEU 90 1HD1 LEU 90 5.344 -11.460 6.412 720 HD12 LEU 90 2HD1 LEU 90 5.770 -11.513 4.702 721 HD13 LEU 90 3HD1 LEU 90 5.276 -9.990 5.441 722 HD21 LEU 90 3HD2 LEU 90 9.070 -11.780 5.895 723 HD22 LEU 90 1HD2 LEU 90 8.418 -11.374 4.308 724 HD23 LEU 90 2HD2 LEU 90 7.646 -12.622 5.285 725 H ILE 91 H ILE 91 8.443 -6.560 5.137 726 HA ILE 91 HA ILE 91 9.801 -6.308 2.567 727 HB ILE 91 HB ILE 91 8.329 -4.393 4.409 728 HG12 ILE 91 2HG1 ILE 91 7.489 -5.466 1.706 729 HG13 ILE 91 1HG1 ILE 91 7.115 -6.318 3.205 730 HG21 ILE 91 1HG2 ILE 91 9.778 -2.995 3.132 731 HG22 ILE 91 2HG2 ILE 91 8.236 -2.963 2.276 732 HG23 ILE 91 3HG2 ILE 91 9.557 -3.966 1.677 733 HD11 ILE 91 3HD1 ILE 91 5.217 -4.934 2.727 734 HD12 ILE 91 1HD1 ILE 91 6.240 -3.536 2.396 735 HD13 ILE 91 2HD1 ILE 91 6.087 -4.146 4.043 736 H SER 92 H SER 92 12.026 -6.181 2.609 737 HA SER 92 HA SER 92 13.403 -4.766 4.826 738 HG SER 92 HG SER 92 14.370 -8.029 3.770 739 HB2 SER 92 2HB SER 92 14.383 -6.366 2.442 740 HB3 SER 92 1HB SER 92 15.414 -5.750 3.728 741 H GLN 93 H GLN 93 15.223 -3.250 4.166 742 HA GLN 93 HA GLN 93 14.253 -1.113 2.506 743 HB2 GLN 93 2HB GLN 93 16.135 -1.450 4.463 744 HB3 GLN 93 1HB GLN 93 17.162 -1.321 3.035 745 HG2 GLN 93 2HG GLN 93 16.939 0.920 3.301 746 HG3 GLN 93 1HG GLN 93 15.329 0.697 2.616 747 HE21 GLN 93 1HE2 GLN 93 13.565 0.138 4.317 748 HE22 GLN 93 2HE2 GLN 93 13.698 0.881 5.836 749 H GLN 94 H GLN 94 16.873 -3.506 1.982 750 HA GLN 94 HA GLN 94 17.602 -2.631 -0.642 751 HB2 GLN 94 2HB GLN 94 17.780 -5.328 0.741 752 HB3 GLN 94 1HB GLN 94 18.631 -4.923 -0.749 753 HG2 GLN 94 2HG GLN 94 18.963 -3.531 1.929 754 HG3 GLN 94 1HG GLN 94 20.123 -4.621 1.174 755 HE21 GLN 94 1HE2 GLN 94 19.801 -1.441 1.734 756 HE22 GLN 94 2HE2 GLN 94 20.478 -0.795 0.318 757 H GLU 95 H GLU 95 15.286 -5.137 0.431 758 HA GLU 95 HA GLU 95 14.581 -6.125 -2.159 759 HB2 GLU 95 2HB GLU 95 13.359 -6.019 0.579 760 HB3 GLU 95 1HB GLU 95 12.371 -6.597 -0.760 761 HG2 GLU 95 2HG GLU 95 13.700 -8.468 -1.115 762 HG3 GLU 95 1HG GLU 95 15.138 -7.702 -0.439 763 H ALA 96 H ALA 96 13.155 -3.507 -0.183 764 HA ALA 96 HA ALA 96 11.033 -2.843 -2.001 765 HB1 ALA 96 3HB ALA 96 10.733 -1.939 0.108 766 HB2 ALA 96 1HB ALA 96 11.483 -0.544 -0.668 767 HB3 ALA 96 2HB ALA 96 12.455 -1.627 0.328 768 H ASN 97 H ASN 97 14.400 -1.734 -1.716 769 HA ASN 97 HA ASN 97 14.239 0.375 -3.671 770 HB2 ASN 97 2HB ASN 97 15.997 -0.084 -1.870 771 HB3 ASN 97 1HB ASN 97 16.642 -1.322 -2.947 772 HD21 ASN 97 1HD2 ASN 97 17.828 -0.629 -4.817 773 HD22 ASN 97 2HD2 ASN 97 18.179 1.003 -5.126 774 H GLN 98 H GLN 98 15.030 -3.101 -3.905 775 HA GLN 98 HA GLN 98 15.818 -3.057 -6.678 776 HB2 GLN 98 2HB GLN 98 15.519 -4.911 -4.525 777 HB3 GLN 98 1HB GLN 98 14.622 -5.555 -5.899 778 HG2 GLN 98 2HG GLN 98 16.847 -6.375 -6.153 779 HG3 GLN 98 1HG GLN 98 16.697 -5.052 -7.310 780 HE21 GLN 98 1HE2 GLN 98 17.788 -5.651 -3.920 781 HE22 GLN 98 2HE2 GLN 98 19.013 -4.477 -3.954 782 H TRP 99 H TRP 99 12.697 -3.557 -5.029 783 HA TRP 99 HA TRP 99 11.173 -4.241 -7.375 784 HD1 TRP 99 HD1 TRP 99 9.287 -5.554 -7.432 785 HE1 TRP 99 HE1 TRP 99 6.766 -5.327 -7.922 786 HE3 TRP 99 HE3 TRP 99 8.126 -1.688 -4.305 787 HZ2 TRP 99 HZ2 TRP 99 4.554 -3.713 -7.098 788 HZ3 TRP 99 HZ3 TRP 99 5.810 -0.833 -4.176 789 HH2 TRP 99 HH2 TRP 99 4.022 -1.837 -5.570 790 HB2 TRP 99 2HB TRP 99 10.575 -4.549 -4.929 791 HB3 TRP 99 1HB TRP 99 10.255 -2.817 -4.858 792 H LEU 100 H LEU 100 11.873 -1.139 -5.752 793 HA LEU 100 HA LEU 100 10.215 0.496 -7.451 794 HG LEU 100 HG LEU 100 10.047 0.583 -4.931 795 HB2 LEU 100 2HB LEU 100 12.547 0.940 -5.592 796 HB3 LEU 100 1HB LEU 100 11.933 2.275 -6.564 797 HD11 LEU 100 1HD1 LEU 100 10.327 2.016 -3.035 798 HD12 LEU 100 2HD1 LEU 100 11.369 3.118 -3.935 799 HD13 LEU 100 3HD1 LEU 100 11.950 1.510 -3.503 800 HD21 LEU 100 3HD2 LEU 100 8.518 2.151 -5.534 801 HD22 LEU 100 1HD2 LEU 100 9.692 2.636 -6.758 802 HD23 LEU 100 2HD2 LEU 100 9.630 3.480 -5.210 803 H SER 101 H SER 101 13.554 -0.668 -7.729 804 HA SER 101 HA SER 101 14.383 1.033 -9.893 805 HG SER 101 HG SER 101 15.741 -0.347 -7.421 806 HB2 SER 101 2HB SER 101 15.230 -1.738 -8.986 807 HB3 SER 101 1HB SER 101 16.110 -0.784 -10.176 808 H SER 102 HN SER 102 13.295 -2.394 -9.942 809 HA SER 102 HA SER 102 11.946 -1.927 -12.534 810 HG SER 102 HG SER 102 14.041 -4.721 -11.544 811 HB2 SER 102 2HB SER 102 13.241 -3.910 -13.480 812 HB3 SER 102 1HB SER 102 14.183 -2.443 -13.241 Start of MODEL 2 1 HA GLU 1 HA GLU 1 19.132 14.987 3.513 2 H1 GLU 1 1H GLU 1 20.850 16.712 5.232 3 H2 GLU 1 2H GLU 1 19.152 16.667 5.276 4 H3 GLU 1 3H GLU 1 19.952 17.237 3.891 5 HB2 GLU 1 2HB GLU 1 21.964 15.861 3.545 6 HB3 GLU 1 1HB GLU 1 21.725 14.127 3.330 7 HG2 GLU 1 2HG GLU 1 21.572 14.808 1.125 8 HG3 GLU 1 1HG GLU 1 19.878 14.954 1.595 9 H ALA 2 H ALA 2 19.409 12.678 4.069 10 HA ALA 2 HA ALA 2 20.377 12.166 6.859 11 HB1 ALA 2 3HB ALA 2 18.026 12.467 7.088 12 HB2 ALA 2 1HB ALA 2 18.242 10.717 7.017 13 HB3 ALA 2 2HB ALA 2 17.691 11.597 5.591 14 H TYR 3 H TYR 3 20.471 9.691 7.235 15 HA TYR 3 HA TYR 3 21.561 8.396 4.766 16 HD1 TYR 3 HD2 TYR 3 23.144 5.925 5.066 17 HD2 TYR 3 HD1 TYR 3 24.370 9.716 6.672 18 HE1 TYR 3 HE2 TYR 3 25.267 5.776 3.797 19 HE2 TYR 3 HE1 TYR 3 26.494 9.566 5.402 20 HH TYR 3 HH TYR 3 27.059 7.981 2.951 21 HB2 TYR 3 2HB TYR 3 22.411 8.687 7.481 22 HB3 TYR 3 1HB TYR 3 22.121 6.972 7.196 23 H VAL 4 H VAL 4 19.913 7.298 7.772 24 HA VAL 4 HA VAL 4 18.175 5.542 6.065 25 HB VAL 4 HB VAL 4 18.483 3.802 7.837 26 HG11 VAL 4 1HG1 VAL 4 20.709 3.138 7.162 27 HG12 VAL 4 2HG1 VAL 4 21.124 4.797 6.734 28 HG13 VAL 4 3HG1 VAL 4 19.930 3.914 5.783 29 HG21 VAL 4 3HG2 VAL 4 20.685 5.595 8.895 30 HG22 VAL 4 1HG2 VAL 4 20.099 4.083 9.587 31 HG23 VAL 4 2HG2 VAL 4 19.082 5.522 9.625 32 H GLN 5 H GLN 5 17.887 8.199 7.748 33 HA GLN 5 HA GLN 5 15.778 7.339 9.663 34 HB2 GLN 5 2HB GLN 5 17.178 9.965 9.057 35 HB3 GLN 5 1HB GLN 5 15.920 9.791 10.281 36 HG2 GLN 5 2HG GLN 5 17.310 8.003 11.368 37 HG3 GLN 5 1HG GLN 5 18.597 8.367 10.218 38 HE21 GLN 5 1HE2 GLN 5 19.075 10.918 10.142 39 HE22 GLN 5 2HE2 GLN 5 19.181 11.666 11.662 40 H GLY 6 H GLY 6 14.199 6.724 7.997 41 HA2 GLY 6 2HA GLY 6 12.273 8.670 7.367 42 HA3 GLY 6 1HA GLY 6 13.316 8.548 5.952 43 H TRP 7 H TRP 7 12.069 6.110 8.245 44 HA TRP 7 HA TRP 7 11.733 4.030 6.329 45 HD1 TRP 7 HD1 TRP 7 13.708 4.217 8.107 46 HE1 TRP 7 HE1 TRP 7 15.007 2.120 8.857 47 HE3 TRP 7 HE3 TRP 7 9.811 1.169 9.384 48 HZ2 TRP 7 HZ2 TRP 7 14.468 -0.501 9.863 49 HZ3 TRP 7 HZ3 TRP 7 10.235 -1.119 10.235 50 HH2 TRP 7 HH2 TRP 7 12.555 -1.957 10.477 51 HB2 TRP 7 2HB TRP 7 10.776 4.696 9.081 52 HB3 TRP 7 1HB TRP 7 9.930 3.404 8.233 53 H GLU 8 H GLU 8 9.526 6.612 7.376 54 HA GLU 8 HA GLU 8 7.171 5.645 6.043 55 HB2 GLU 8 2HB GLU 8 7.909 7.744 7.720 56 HB3 GLU 8 1HB GLU 8 7.470 8.558 6.218 57 HG2 GLU 8 2HG GLU 8 5.401 8.407 7.291 58 HG3 GLU 8 1HG GLU 8 5.385 6.962 6.283 59 H ALA 9 H ALA 9 9.887 7.684 4.983 60 HA ALA 9 HA ALA 9 8.779 8.456 2.445 61 HB1 ALA 9 3HB ALA 9 10.671 9.603 3.477 62 HB2 ALA 9 1HB ALA 9 11.205 8.916 1.942 63 HB3 ALA 9 2HB ALA 9 11.621 8.117 3.457 64 H VAL 10 H VAL 10 10.849 5.732 3.463 65 HA VAL 10 HA VAL 10 11.153 4.558 0.847 66 HB VAL 10 HB VAL 10 11.248 3.400 3.660 67 HG11 VAL 10 1HG1 VAL 10 10.960 1.633 1.961 68 HG12 VAL 10 2HG1 VAL 10 12.583 1.583 2.651 69 HG13 VAL 10 3HG1 VAL 10 12.326 2.283 1.052 70 HG21 VAL 10 3HG2 VAL 10 13.463 4.348 1.811 71 HG22 VAL 10 1HG2 VAL 10 13.677 3.692 3.433 72 HG23 VAL 10 2HG2 VAL 10 12.862 5.240 3.208 73 H ALA 11 H ALA 11 8.820 4.096 3.490 74 HA ALA 11 HA ALA 11 7.326 1.949 2.316 75 HB1 ALA 11 3HB ALA 11 7.297 2.761 4.706 76 HB2 ALA 11 1HB ALA 11 5.687 2.562 4.014 77 HB3 ALA 11 2HB ALA 11 6.391 4.172 4.161 78 H ALA 12 H ALA 12 7.031 5.499 2.119 79 HA ALA 12 HA ALA 12 4.610 5.619 0.603 80 HB1 ALA 12 3HB ALA 12 5.420 7.902 0.089 81 HB2 ALA 12 1HB ALA 12 7.033 7.451 0.639 82 HB3 ALA 12 2HB ALA 12 5.697 7.512 1.787 83 H ALA 13 H ALA 13 8.037 5.398 -0.380 84 HA ALA 13 HA ALA 13 7.656 5.616 -3.201 85 HB1 ALA 13 3HB ALA 13 9.900 4.707 -3.291 86 HB2 ALA 13 1HB ALA 13 9.709 3.953 -1.709 87 HB3 ALA 13 2HB ALA 13 9.803 5.709 -1.842 88 H VAL 14 H VAL 14 7.630 2.791 -1.015 89 HA VAL 14 HA VAL 14 7.262 0.784 -3.040 90 HB VAL 14 HB VAL 14 6.453 0.911 -0.110 91 HG11 VAL 14 1HG1 VAL 14 6.618 -1.610 -0.284 92 HG12 VAL 14 2HG1 VAL 14 6.685 -1.418 -2.035 93 HG13 VAL 14 3HG1 VAL 14 5.252 -0.904 -1.146 94 HG21 VAL 14 3HG2 VAL 14 8.745 -0.749 -0.816 95 HG22 VAL 14 1HG2 VAL 14 8.626 0.533 0.389 96 HG23 VAL 14 2HG2 VAL 14 8.995 0.932 -1.288 97 H ALA 15 H ALA 15 4.981 2.704 -1.086 98 HA ALA 15 HA ALA 15 2.568 1.482 -2.058 99 HB1 ALA 15 3HB ALA 15 1.548 3.537 -1.097 100 HB2 ALA 15 1HB ALA 15 3.153 4.259 -0.977 101 HB3 ALA 15 2HB ALA 15 2.749 2.844 -0.006 102 H SER 16 H SER 16 4.520 4.250 -3.152 103 HA SER 16 HA SER 16 2.750 5.201 -5.192 104 HG SER 16 HG SER 16 3.783 7.388 -4.850 105 HB2 SER 16 2HB SER 16 5.710 5.337 -4.634 106 HB3 SER 16 1HB SER 16 5.045 6.056 -6.098 107 H LYS 17 H LYS 17 5.342 2.739 -5.209 108 HA LYS 17 HA LYS 17 5.301 2.235 -8.037 109 HB2 LYS 17 2HB LYS 17 7.120 1.592 -6.473 110 HB3 LYS 17 1HB LYS 17 6.038 0.431 -5.701 111 HG2 LYS 17 2HG LYS 17 6.248 -1.075 -7.390 112 HG3 LYS 17 1HG LYS 17 6.187 0.172 -8.634 113 HD2 LYS 17 2HD LYS 17 8.578 0.794 -7.772 114 HD3 LYS 17 1HD LYS 17 8.562 -0.831 -7.084 115 HE2 LYS 17 2HE LYS 17 8.017 -0.203 -10.011 116 HE3 LYS 17 1HE LYS 17 9.558 -0.810 -9.377 117 HZ1 LYS 17 3HZ LYS 17 6.942 -2.160 -9.497 118 HZ2 LYS 17 1HZ LYS 17 8.027 -2.574 -8.260 119 HZ3 LYS 17 2HZ LYS 17 8.482 -2.767 -9.884 120 H ILE 18 H ILE 18 3.413 0.947 -5.311 121 HA ILE 18 HA ILE 18 2.140 -1.211 -6.715 122 HB ILE 18 HB ILE 18 1.521 0.472 -4.279 123 HG12 ILE 18 2HG1 ILE 18 2.257 -2.440 -4.735 124 HG13 ILE 18 1HG1 ILE 18 3.296 -1.190 -4.052 125 HG21 ILE 18 1HG2 ILE 18 -0.342 -1.156 -3.810 126 HG22 ILE 18 2HG2 ILE 18 -0.165 -1.759 -5.458 127 HG23 ILE 18 3HG2 ILE 18 -0.664 -0.091 -5.178 128 HD11 ILE 18 3HD1 ILE 18 2.247 -2.676 -2.316 129 HD12 ILE 18 1HD1 ILE 18 0.669 -2.065 -2.815 130 HD13 ILE 18 2HD1 ILE 18 1.859 -0.968 -2.112 131 H VAL 19 H VAL 19 1.134 2.173 -6.103 132 HA VAL 19 HA VAL 19 -1.360 2.064 -7.504 133 HB VAL 19 HB VAL 19 0.608 4.261 -6.807 134 HG11 VAL 19 1HG1 VAL 19 -0.457 5.377 -8.523 135 HG12 VAL 19 2HG1 VAL 19 -1.638 5.656 -7.242 136 HG13 VAL 19 3HG1 VAL 19 -1.903 4.371 -8.421 137 HG21 VAL 19 3HG2 VAL 19 -0.469 3.366 -4.868 138 HG22 VAL 19 1HG2 VAL 19 -2.030 3.282 -5.686 139 HG23 VAL 19 2HG2 VAL 19 -1.346 4.847 -5.249 140 H GLY 20 H GLY 20 1.943 2.873 -8.596 141 HA2 GLY 20 2HA GLY 20 1.188 3.595 -11.286 142 HA3 GLY 20 1HA GLY 20 2.814 3.166 -10.759 143 H LEU 21 H LEU 21 1.837 0.533 -9.679 144 HA LEU 21 HA LEU 21 1.563 -0.897 -12.294 145 HG LEU 21 HG LEU 21 2.084 -3.302 -11.930 146 HB2 LEU 21 2HB LEU 21 3.697 -1.024 -10.881 147 HB3 LEU 21 1HB LEU 21 2.743 -1.930 -9.707 148 HD11 LEU 21 1HD1 LEU 21 3.596 -1.782 -13.288 149 HD12 LEU 21 2HD1 LEU 21 3.946 -3.505 -13.439 150 HD13 LEU 21 3HD1 LEU 21 4.961 -2.484 -12.419 151 HD21 LEU 21 3HD2 LEU 21 4.616 -3.652 -10.290 152 HD22 LEU 21 1HD2 LEU 21 3.875 -4.909 -11.281 153 HD23 LEU 21 2HD2 LEU 21 3.016 -4.271 -9.878 154 H TRP 22 H TRP 22 -0.743 0.031 -10.756 155 HA TRP 22 HA TRP 22 -1.797 -2.458 -9.509 156 HD1 TRP 22 HD1 TRP 22 -3.554 -3.104 -8.236 157 HE1 TRP 22 HE1 TRP 22 -6.020 -3.136 -7.490 158 HE3 TRP 22 HE3 TRP 22 -4.727 1.830 -8.854 159 HZ2 TRP 22 HZ2 TRP 22 -8.200 -1.313 -7.189 160 HZ3 TRP 22 HZ3 TRP 22 -7.004 2.653 -8.328 161 HH2 TRP 22 HH2 TRP 22 -8.741 1.090 -7.497 162 HB2 TRP 22 2HB TRP 22 -1.932 -0.395 -8.211 163 HB3 TRP 22 1HB TRP 22 -2.729 0.432 -9.547 164 H ARG 23 H ARG 23 -3.472 -3.586 -10.451 165 HA ARG 23 HA ARG 23 -4.414 -2.718 -13.141 166 HE ARG 23 HE ARG 23 -3.037 -3.894 -15.323 167 HB2 ARG 23 2HB ARG 23 -3.356 -5.026 -12.346 168 HB3 ARG 23 1HB ARG 23 -5.008 -5.359 -11.829 169 HG2 ARG 23 2HG ARG 23 -5.655 -5.758 -13.950 170 HG3 ARG 23 1HG ARG 23 -5.000 -4.213 -14.492 171 HD2 ARG 23 2HD ARG 23 -2.898 -6.182 -13.902 172 HD3 ARG 23 1HD ARG 23 -3.990 -6.694 -15.205 173 HH11 ARG 23 2HH1 ARG 23 -4.180 -5.454 -17.644 174 HH12 ARG 23 1HH1 ARG 23 -2.755 -5.824 -18.554 175 HH21 ARG 23 1HH2 ARG 23 -0.582 -5.104 -15.938 176 HH22 ARG 23 2HH2 ARG 23 -0.707 -5.620 -17.586 177 H ASN 24 H ASN 24 -6.872 -3.995 -13.246 178 HA ASN 24 HA ASN 24 -8.734 -2.222 -12.146 179 HB2 ASN 24 2HB ASN 24 -8.724 -5.036 -13.132 180 HB3 ASN 24 1HB ASN 24 -10.163 -4.509 -12.261 181 HD21 ASN 24 1HD2 ASN 24 -11.207 -2.427 -13.108 182 HD22 ASN 24 2HD2 ASN 24 -11.090 -2.097 -14.769 183 H GLU 25 H GLU 25 -7.484 -5.236 -10.691 184 HA GLU 25 HA GLU 25 -8.074 -4.236 -7.989 185 HB2 GLU 25 2HB GLU 25 -9.579 -6.178 -7.492 186 HB3 GLU 25 1HB GLU 25 -10.249 -5.099 -8.714 187 HG2 GLU 25 2HG GLU 25 -10.414 -6.851 -10.120 188 HG3 GLU 25 1HG GLU 25 -8.658 -6.996 -10.105 189 H LYS 26 H LYS 26 -5.688 -5.164 -9.491 190 HA LYS 26 HA LYS 26 -4.756 -7.225 -7.556 191 HB2 LYS 26 2HB LYS 26 -5.793 -8.182 -9.724 192 HB3 LYS 26 1HB LYS 26 -4.369 -7.533 -10.535 193 HG2 LYS 26 2HG LYS 26 -3.827 -9.111 -8.084 194 HG3 LYS 26 1HG LYS 26 -4.471 -10.025 -9.446 195 HD2 LYS 26 2HD LYS 26 -2.342 -8.104 -10.160 196 HD3 LYS 26 1HD LYS 26 -1.819 -9.424 -9.115 197 HE2 LYS 26 2HE LYS 26 -1.548 -10.372 -11.251 198 HE3 LYS 26 1HE LYS 26 -3.184 -10.918 -10.832 199 HZ1 LYS 26 3HZ LYS 26 -2.577 -8.390 -12.278 200 HZ2 LYS 26 1HZ LYS 26 -4.116 -9.033 -11.962 201 HZ3 LYS 26 2HZ LYS 26 -3.067 -9.828 -13.037 202 H THR 27 H THR 27 -2.422 -7.275 -7.380 203 HA THR 27 HA THR 27 -0.800 -5.472 -9.056 204 HB THR 27 HB THR 27 -1.917 -4.075 -7.262 205 HG1 THR 27 HG1 THR 27 0.271 -3.738 -8.216 206 HG21 THR 27 3HG2 THR 27 -0.051 -5.476 -5.349 207 HG22 THR 27 1HG2 THR 27 -1.728 -5.983 -5.547 208 HG23 THR 27 2HG2 THR 27 -1.360 -4.356 -4.974 209 H GLU 28 H GLU 28 1.477 -5.911 -8.807 210 HA GLU 28 HA GLU 28 2.024 -8.498 -7.409 211 HB2 GLU 28 2HB GLU 28 2.403 -7.716 -9.994 212 HB3 GLU 28 1HB GLU 28 3.981 -7.334 -9.307 213 HG2 GLU 28 2HG GLU 28 4.127 -9.599 -10.059 214 HG3 GLU 28 1HG GLU 28 3.981 -9.678 -8.306 215 H LEU 29 H LEU 29 3.139 -8.350 -5.516 216 HA LEU 29 HA LEU 29 4.932 -5.988 -5.074 217 HG LEU 29 HG LEU 29 3.045 -5.012 -4.355 218 HB2 LEU 29 2HB LEU 29 2.996 -7.535 -3.429 219 HB3 LEU 29 1HB LEU 29 4.446 -6.975 -2.602 220 HD11 LEU 29 1HD1 LEU 29 1.430 -4.460 -2.597 221 HD12 LEU 29 2HD1 LEU 29 2.030 -5.787 -1.603 222 HD13 LEU 29 3HD1 LEU 29 1.197 -6.127 -3.121 223 HD21 LEU 29 3HD2 LEU 29 5.188 -4.731 -2.880 224 HD22 LEU 29 1HD2 LEU 29 4.048 -4.633 -1.537 225 HD23 LEU 29 2HD2 LEU 29 3.969 -3.457 -2.850 226 H LEU 30 H LEU 30 7.094 -6.476 -4.934 227 HA LEU 30 HA LEU 30 9.086 -7.722 -4.769 228 HG LEU 30 HG LEU 30 10.316 -9.049 -3.261 229 HB2 LEU 30 2HB LEU 30 7.592 -7.998 -2.491 230 HB3 LEU 30 1HB LEU 30 7.827 -9.684 -2.946 231 HD11 LEU 30 1HD1 LEU 30 9.662 -6.875 -1.284 232 HD12 LEU 30 2HD1 LEU 30 9.615 -6.537 -3.014 233 HD13 LEU 30 3HD1 LEU 30 11.114 -7.082 -2.263 234 HD21 LEU 30 3HD2 LEU 30 9.204 -10.365 -1.343 235 HD22 LEU 30 1HD2 LEU 30 9.306 -8.867 -0.419 236 HD23 LEU 30 2HD2 LEU 30 10.776 -9.641 -1.007 237 H GLY 31 H GLY 31 7.145 -8.539 -6.862 238 HA2 GLY 31 2HA GLY 31 7.116 -10.230 -8.502 239 HA3 GLY 31 1HA GLY 31 8.350 -11.085 -7.576 240 H HIS 32 H HIS 32 5.395 -10.139 -5.963 241 HA HIS 32 HA HIS 32 4.471 -12.988 -6.022 242 HD1 HIS 32 HD1 HIS 32 6.055 -14.107 -5.054 243 HD2 HIS 32 HD2 HIS 32 6.656 -11.119 -2.207 244 HE1 HIS 32 HE1 HIS 32 8.344 -14.520 -4.052 245 HB2 HIS 32 2HB HIS 32 4.394 -10.916 -3.804 246 HB3 HIS 32 1HB HIS 32 3.759 -12.550 -3.683 247 H GLU 33 H GLU 33 2.216 -13.278 -6.248 248 HA GLU 33 HA GLU 33 0.719 -11.099 -7.456 249 HB2 GLU 33 2HB GLU 33 0.657 -13.875 -7.423 250 HB3 GLU 33 1HB GLU 33 -0.790 -13.439 -6.513 251 HG2 GLU 33 2HG GLU 33 -0.288 -11.896 -9.007 252 HG3 GLU 33 1HG GLU 33 -0.747 -13.586 -9.213 253 H CYS 34 H CYS 34 -0.391 -9.559 -6.366 254 HA CYS 34 HA CYS 34 -1.461 -10.199 -3.647 255 HB2 CYS 34 2HB CYS 34 -0.039 -7.734 -4.677 256 HB3 CYS 34 1HB CYS 34 -0.935 -7.752 -3.163 257 H LYS 35 H LYS 35 -3.364 -8.818 -3.101 258 HA LYS 35 HA LYS 35 -4.876 -8.044 -5.569 259 HB2 LYS 35 2HB LYS 35 -5.522 -10.067 -4.106 260 HB3 LYS 35 1HB LYS 35 -6.044 -8.874 -2.918 261 HG2 LYS 35 2HG LYS 35 -8.013 -9.186 -4.116 262 HG3 LYS 35 1HG LYS 35 -7.309 -7.822 -4.982 263 HD2 LYS 35 2HD LYS 35 -7.475 -9.083 -6.849 264 HD3 LYS 35 1HD LYS 35 -6.150 -10.044 -6.200 265 HE2 LYS 35 2HE LYS 35 -7.882 -11.627 -6.652 266 HE3 LYS 35 1HE LYS 35 -7.988 -11.345 -4.903 267 HZ1 LYS 35 3HZ LYS 35 -9.651 -10.166 -7.056 268 HZ2 LYS 35 1HZ LYS 35 -9.557 -9.456 -5.517 269 HZ3 LYS 35 2HZ LYS 35 -10.162 -11.034 -5.687 270 H PHE 36 H PHE 36 -5.094 -5.873 -5.718 271 HA PHE 36 HA PHE 36 -5.407 -4.268 -3.201 272 HD1 PHE 36 HD2 PHE 36 -5.979 -1.412 -5.035 273 HD2 PHE 36 HD1 PHE 36 -2.326 -2.571 -3.093 274 HE1 PHE 36 HE2 PHE 36 -5.882 0.789 -3.904 275 HE2 PHE 36 HE1 PHE 36 -2.234 -0.367 -1.964 276 HZ PHE 36 HZ PHE 36 -4.012 1.309 -2.370 277 HB2 PHE 36 2HB PHE 36 -3.303 -4.017 -4.648 278 HB3 PHE 36 1HB PHE 36 -4.352 -3.337 -5.887 279 H THR 37 H THR 37 -7.441 -3.347 -3.042 280 HA THR 37 HA THR 37 -8.915 -2.755 -5.582 281 HB THR 37 HB THR 37 -10.933 -3.543 -4.016 282 HG1 THR 37 HG1 THR 37 -10.201 -5.306 -2.741 283 HG21 THR 37 3HG2 THR 37 -11.047 -5.234 -5.507 284 HG22 THR 37 1HG2 THR 37 -9.502 -5.905 -4.982 285 HG23 THR 37 2HG2 THR 37 -9.540 -4.598 -6.165 286 H VAL 38 H VAL 38 -10.496 -1.065 -5.416 287 HA VAL 38 HA VAL 38 -10.430 0.596 -2.928 288 HB VAL 38 HB VAL 38 -10.007 1.506 -5.799 289 HG11 VAL 38 1HG1 VAL 38 -11.284 3.180 -4.584 290 HG12 VAL 38 2HG1 VAL 38 -9.619 3.744 -4.728 291 HG13 VAL 38 3HG1 VAL 38 -10.193 3.066 -3.203 292 HG21 VAL 38 3HG2 VAL 38 -7.798 2.305 -4.771 293 HG22 VAL 38 1HG2 VAL 38 -7.969 0.561 -4.981 294 HG23 VAL 38 2HG2 VAL 38 -8.190 1.284 -3.387 295 H LYS 39 H LYS 39 -12.435 1.608 -2.485 296 HA LYS 39 HA LYS 39 -14.538 1.712 -4.552 297 HB2 LYS 39 2HB LYS 39 -14.461 -0.642 -3.616 298 HB3 LYS 39 1HB LYS 39 -14.894 0.039 -2.048 299 HG2 LYS 39 2HG LYS 39 -17.045 -0.227 -2.710 300 HG3 LYS 39 1HG LYS 39 -16.766 1.178 -3.737 301 HD2 LYS 39 2HD LYS 39 -17.473 -0.318 -5.346 302 HD3 LYS 39 1HD LYS 39 -15.745 -0.674 -5.367 303 HE2 LYS 39 2HE LYS 39 -16.247 -2.451 -3.567 304 HE3 LYS 39 1HE LYS 39 -17.953 -2.239 -4.009 305 HZ1 LYS 39 3HZ LYS 39 -17.341 -2.610 -6.337 306 HZ2 LYS 39 1HZ LYS 39 -16.955 -3.954 -5.377 307 HZ3 LYS 39 2HZ LYS 39 -15.729 -2.890 -5.877 308 HA PRO 40 HA PRO 40 -15.309 5.115 -1.754 309 HB2 PRO 40 2HB PRO 40 -17.113 6.409 -3.342 310 HB3 PRO 40 1HB PRO 40 -15.363 6.477 -3.619 311 HG2 PRO 40 2HG PRO 40 -17.441 4.918 -5.039 312 HG3 PRO 40 1HG PRO 40 -15.943 5.631 -5.655 313 HD2 PRO 40 2HD PRO 40 -16.319 2.948 -5.050 314 HD3 PRO 40 1HD PRO 40 -14.745 3.756 -5.214 315 H TYR 41 H TYR 41 -17.172 5.873 -0.502 316 HA TYR 41 HA TYR 41 -19.615 4.154 -0.686 317 HD1 TYR 41 HD1 TYR 41 -19.530 2.016 -0.085 318 HD2 TYR 41 HD2 TYR 41 -16.158 3.547 2.091 319 HE1 TYR 41 HE1 TYR 41 -18.338 -0.134 -0.420 320 HE2 TYR 41 HE2 TYR 41 -14.969 1.399 1.757 321 HH TYR 41 HH TYR 41 -15.224 -0.558 -0.191 322 HB2 TYR 41 2HB TYR 41 -18.014 4.916 1.774 323 HB3 TYR 41 1HB TYR 41 -19.543 4.055 1.804 324 H LEU 42 H LEU 42 -21.068 5.261 1.312 325 HA LEU 42 HA LEU 42 -21.198 8.178 0.631 326 HG LEU 42 HG LEU 42 -22.974 9.136 0.110 327 HB2 LEU 42 2HB LEU 42 -22.905 6.419 -0.334 328 HB3 LEU 42 1HB LEU 42 -23.610 6.510 1.280 329 HD11 LEU 42 1HD1 LEU 42 -23.812 7.562 -1.821 330 HD12 LEU 42 2HD1 LEU 42 -24.522 9.165 -1.635 331 HD13 LEU 42 3HD1 LEU 42 -25.379 7.747 -1.034 332 HD21 LEU 42 3HD2 LEU 42 -24.483 8.223 2.176 333 HD22 LEU 42 1HD2 LEU 42 -25.722 8.359 0.928 334 HD23 LEU 42 2HD2 LEU 42 -24.769 9.772 1.383 335 H LYS 43 H LYS 43 -21.760 9.565 2.319 336 HA LYS 43 HA LYS 43 -21.891 8.375 5.069 337 HB2 LYS 43 2HB LYS 43 -19.914 9.896 4.011 338 HB3 LYS 43 1HB LYS 43 -20.977 11.173 4.592 339 HG2 LYS 43 2HG LYS 43 -20.617 8.992 6.530 340 HG3 LYS 43 1HG LYS 43 -19.117 9.827 6.133 341 HD2 LYS 43 2HD LYS 43 -21.533 11.503 6.671 342 HD3 LYS 43 1HD LYS 43 -20.745 10.731 8.048 343 HE2 LYS 43 2HE LYS 43 -18.552 11.717 7.239 344 HE3 LYS 43 1HE LYS 43 -19.491 12.653 6.060 345 HZ1 LYS 43 3HZ LYS 43 -20.919 13.340 8.011 346 HZ2 LYS 43 1HZ LYS 43 -19.359 14.007 7.967 347 HZ3 LYS 43 2HZ LYS 43 -19.699 12.717 9.018 348 H ARG 44 H ARG 44 -22.964 10.068 6.613 349 HA ARG 44 HA ARG 44 -25.649 10.439 6.182 350 HE ARG 44 HE ARG 44 -27.809 10.560 8.328 351 HB2 ARG 44 2HB ARG 44 -23.543 11.796 7.771 352 HB3 ARG 44 1HB ARG 44 -25.073 12.661 7.635 353 HG2 ARG 44 2HG ARG 44 -25.712 9.934 8.123 354 HG3 ARG 44 1HG ARG 44 -24.450 10.378 9.270 355 HD2 ARG 44 2HD ARG 44 -26.349 11.082 10.437 356 HD3 ARG 44 1HD ARG 44 -25.960 12.568 9.548 357 HH11 ARG 44 1HH2 ARG 44 -29.087 12.365 10.381 358 HH12 ARG 44 2HH2 ARG 44 -29.654 13.675 9.401 359 HH21 ARG 44 2HH1 ARG 44 -27.672 12.830 6.671 360 HH22 ARG 44 1HH1 ARG 44 -28.849 13.939 7.291 361 H PHE 45 H PHE 45 -23.087 12.575 4.958 362 HA PHE 45 HA PHE 45 -24.913 13.695 2.963 363 HD1 PHE 45 HD2 PHE 45 -27.239 14.813 4.648 364 HD2 PHE 45 HD1 PHE 45 -24.253 17.213 2.704 365 HE1 PHE 45 HE2 PHE 45 -29.018 16.056 3.448 366 HE2 PHE 45 HE1 PHE 45 -26.032 18.456 1.505 367 HZ PHE 45 HZ PHE 45 -28.415 17.877 1.878 368 HB2 PHE 45 2HB PHE 45 -24.914 14.861 5.450 369 HB3 PHE 45 1HB PHE 45 -23.688 15.818 4.620 370 H GLN 46 H GLN 46 -22.433 12.237 2.742 371 HA GLN 46 HA GLN 46 -20.894 14.121 1.098 372 HB2 GLN 46 2HB GLN 46 -20.265 13.647 3.892 373 HB3 GLN 46 1HB GLN 46 -18.928 13.130 2.865 374 HG2 GLN 46 2HG GLN 46 -19.319 15.424 1.655 375 HG3 GLN 46 1HG GLN 46 -20.142 15.866 3.152 376 HE21 GLN 46 1HE2 GLN 46 -17.016 15.372 1.689 377 HE22 GLN 46 2HE2 GLN 46 -16.094 15.676 3.080 378 H VAL 47 H VAL 47 -19.289 13.026 -0.202 379 HA VAL 47 HA VAL 47 -19.667 10.066 -0.368 380 HB VAL 47 HB VAL 47 -18.458 12.134 -2.247 381 HG11 VAL 47 1HG1 VAL 47 -19.066 9.190 -2.675 382 HG12 VAL 47 2HG1 VAL 47 -17.458 9.906 -2.568 383 HG13 VAL 47 3HG1 VAL 47 -18.515 10.310 -3.922 384 HG21 VAL 47 3HG2 VAL 47 -20.501 11.832 -3.548 385 HG22 VAL 47 1HG2 VAL 47 -20.940 12.274 -1.897 386 HG23 VAL 47 2HG2 VAL 47 -21.072 10.597 -2.426 387 H TYR 48 H TYR 48 -18.061 8.819 0.553 388 HA TYR 48 HA TYR 48 -15.373 10.073 0.969 389 HD1 TYR 48 HD1 TYR 48 -18.259 10.238 3.080 390 HD2 TYR 48 HD2 TYR 48 -14.065 9.647 3.795 391 HE1 TYR 48 HE1 TYR 48 -18.256 12.160 4.645 392 HE2 TYR 48 HE2 TYR 48 -14.062 11.568 5.361 393 HH TYR 48 HH TYR 48 -16.088 13.865 5.458 394 HB2 TYR 48 2HB TYR 48 -17.107 8.132 2.444 395 HB3 TYR 48 1HB TYR 48 -15.359 7.981 2.628 396 H TYR 49 H TYR 49 -13.496 8.589 0.787 397 HA TYR 49 HA TYR 49 -13.933 6.433 -1.246 398 HD1 TYR 49 HD1 TYR 49 -11.155 5.855 -3.031 399 HD2 TYR 49 HD2 TYR 49 -14.052 9.021 -3.230 400 HE1 TYR 49 HE1 TYR 49 -11.596 5.302 -5.408 401 HE2 TYR 49 HE2 TYR 49 -14.493 8.469 -5.606 402 HH TYR 49 HH TYR 49 -14.109 6.002 -7.023 403 HB2 TYR 49 2HB TYR 49 -12.478 8.860 -1.365 404 HB3 TYR 49 1HB TYR 49 -11.282 7.568 -1.287 405 H LYS 50 H LYS 50 -13.212 4.446 -0.603 406 HA LYS 50 HA LYS 50 -11.134 4.291 1.554 407 HB2 LYS 50 2HB LYS 50 -13.378 3.940 2.481 408 HB3 LYS 50 1HB LYS 50 -13.717 2.733 1.243 409 HG2 LYS 50 2HG LYS 50 -12.196 1.183 2.163 410 HG3 LYS 50 1HG LYS 50 -11.358 2.424 3.095 411 HD2 LYS 50 2HD LYS 50 -12.852 2.325 4.807 412 HD3 LYS 50 1HD LYS 50 -14.231 2.163 3.719 413 HE2 LYS 50 2HE LYS 50 -12.870 -0.244 3.374 414 HE3 LYS 50 1HE LYS 50 -12.730 0.072 5.114 415 HZ1 LYS 50 3HZ LYS 50 -15.132 0.612 5.111 416 HZ2 LYS 50 1HZ LYS 50 -14.815 -1.007 4.717 417 HZ3 LYS 50 2HZ LYS 50 -15.221 0.098 3.492 418 H GLY 51 H GLY 51 -9.764 2.408 1.402 419 HA2 GLY 51 2HA GLY 51 -10.186 0.594 -0.894 420 HA3 GLY 51 1HA GLY 51 -8.711 1.553 -0.908 421 H ARG 52 H ARG 52 -8.883 -1.334 -0.777 422 HA ARG 52 HA ARG 52 -7.321 -1.761 1.718 423 HE ARG 52 HE ARG 52 -10.754 -5.247 2.497 424 HB2 ARG 52 2HB ARG 52 -9.623 -2.335 2.274 425 HB3 ARG 52 1HB ARG 52 -9.759 -3.330 0.824 426 HG2 ARG 52 2HG ARG 52 -8.688 -5.084 1.786 427 HG3 ARG 52 1HG ARG 52 -7.471 -4.047 2.527 428 HD2 ARG 52 2HD ARG 52 -8.669 -4.950 4.378 429 HD3 ARG 52 1HD ARG 52 -9.380 -3.338 4.158 430 HH11 ARG 52 1HH2 ARG 52 -11.804 -3.075 4.475 431 HH12 ARG 52 2HH2 ARG 52 -12.735 -4.070 5.544 432 HH21 ARG 52 2HH1 ARG 52 -11.313 -7.045 4.437 433 HH22 ARG 52 1HH1 ARG 52 -12.451 -6.327 5.527 434 H MET 53 H MET 53 -5.689 -3.337 1.430 435 HA MET 53 HA MET 53 -5.717 -4.940 -1.081 436 HB2 MET 53 2HB MET 53 -3.580 -4.092 -1.754 437 HB3 MET 53 1HB MET 53 -4.562 -2.688 -1.352 438 HG2 MET 53 2HG MET 53 -3.170 -2.081 0.322 439 HG3 MET 53 1HG MET 53 -3.135 -3.713 0.983 440 HE1 MET 53 3HE MET 53 -1.418 -5.408 0.653 441 HE2 MET 53 1HE MET 53 -0.324 -5.515 -0.734 442 HE3 MET 53 2HE MET 53 -2.067 -5.621 -0.972 443 H TRP 54 H TRP 54 -4.205 -6.729 -1.032 444 HA TRP 54 HA TRP 54 -2.691 -7.338 1.401 445 HD1 TRP 54 HD1 TRP 54 -4.449 -10.985 -0.059 446 HE1 TRP 54 HE1 TRP 54 -6.486 -11.336 -1.596 447 HE3 TRP 54 HE3 TRP 54 -7.013 -6.664 0.870 448 HZ2 TRP 54 HZ2 TRP 54 -8.886 -9.965 -2.338 449 HZ3 TRP 54 HZ3 TRP 54 -9.167 -6.213 -0.266 450 HH2 TRP 54 HH2 TRP 54 -10.106 -7.855 -1.868 451 HB2 TRP 54 2HB TRP 54 -4.063 -9.304 2.003 452 HB3 TRP 54 1HB TRP 54 -5.038 -7.839 2.051 453 H CYS 55 H CYS 55 -2.103 -9.937 1.126 454 HA CYS 55 HA CYS 55 -1.517 -10.372 -1.772 455 HB2 CYS 55 2HB CYS 55 0.322 -10.447 0.617 456 HB3 CYS 55 1HB CYS 55 0.759 -11.171 -0.927 457 HA PRO 56 HA PRO 56 -3.308 -14.223 -0.118 458 HB2 PRO 56 2HB PRO 56 -4.477 -14.980 -2.476 459 HB3 PRO 56 1HB PRO 56 -5.238 -13.843 -1.346 460 HG2 PRO 56 2HG PRO 56 -3.781 -13.303 -3.879 461 HG3 PRO 56 1HG PRO 56 -5.200 -12.495 -3.196 462 HD2 PRO 56 2HD PRO 56 -2.654 -11.489 -3.084 463 HD3 PRO 56 1HD PRO 56 -3.939 -11.074 -1.942 464 H GLY 57 H GLY 57 -0.920 -14.778 -0.087 465 HA2 GLY 57 2HA GLY 57 -0.156 -17.134 -1.142 466 HA3 GLY 57 1HA GLY 57 0.145 -16.069 -2.514 467 H TRP 58 H TRP 58 1.086 -13.784 -1.240 468 HA TRP 58 HA TRP 58 3.833 -14.471 -0.693 469 HD1 TRP 58 HD1 TRP 58 5.648 -13.640 -0.142 470 HE1 TRP 58 HE1 TRP 58 7.464 -11.951 0.562 471 HE3 TRP 58 HE3 TRP 58 2.931 -9.317 -0.260 472 HZ2 TRP 58 HZ2 TRP 58 7.729 -9.139 1.016 473 HZ3 TRP 58 HZ3 TRP 58 3.988 -7.152 0.313 474 HH2 TRP 58 HH2 TRP 58 6.380 -7.057 0.949 475 HB2 TRP 58 2HB TRP 58 2.972 -12.356 -1.716 476 HB3 TRP 58 1HB TRP 58 2.281 -11.915 -0.162 477 H THR 59 H THR 59 1.279 -13.103 1.422 478 HA THR 59 HA THR 59 2.335 -14.613 3.724 479 HB THR 59 HB THR 59 3.728 -12.578 3.601 480 HG1 THR 59 HG1 THR 59 3.496 -12.942 5.667 481 HG21 THR 59 3HG2 THR 59 1.997 -10.495 4.272 482 HG22 THR 59 1HG2 THR 59 1.150 -11.361 2.989 483 HG23 THR 59 2HG2 THR 59 2.776 -10.739 2.709 484 H ALA 60 H ALA 60 0.923 -13.409 5.742 485 HA ALA 60 HA ALA 60 -1.922 -13.552 4.798 486 HB1 ALA 60 3HB ALA 60 -0.616 -14.411 7.402 487 HB2 ALA 60 1HB ALA 60 -1.179 -15.484 6.120 488 HB3 ALA 60 2HB ALA 60 -2.340 -14.539 7.052 489 H ILE 61 H ILE 61 -0.617 -11.051 4.800 490 HA ILE 61 HA ILE 61 -1.800 -9.696 7.201 491 HB ILE 61 HB ILE 61 0.638 -9.043 5.508 492 HG12 ILE 61 2HG1 ILE 61 0.503 -9.617 8.476 493 HG13 ILE 61 1HG1 ILE 61 0.729 -10.902 7.289 494 HG21 ILE 61 1HG2 ILE 61 0.987 -7.160 7.060 495 HG22 ILE 61 2HG2 ILE 61 -0.520 -7.553 7.886 496 HG23 ILE 61 3HG2 ILE 61 -0.552 -6.988 6.216 497 HD11 ILE 61 3HD1 ILE 61 2.850 -9.820 8.327 498 HD12 ILE 61 1HD1 ILE 61 2.492 -8.456 7.267 499 HD13 ILE 61 2HD1 ILE 61 2.808 -10.049 6.578 500 H ARG 62 H ARG 62 -2.923 -7.700 6.770 501 HA ARG 62 HA ARG 62 -3.417 -7.101 3.881 502 HE ARG 62 HE ARG 62 -7.356 -6.142 8.157 503 HB2 ARG 62 2HB ARG 62 -5.814 -6.578 4.770 504 HB3 ARG 62 1HB ARG 62 -5.358 -8.255 4.501 505 HG2 ARG 62 2HG ARG 62 -4.996 -8.631 6.833 506 HG3 ARG 62 1HG ARG 62 -5.037 -6.903 7.188 507 HD2 ARG 62 2HD ARG 62 -7.487 -7.235 6.011 508 HD3 ARG 62 1HD ARG 62 -7.283 -8.795 6.834 509 HH11 ARG 62 2HH1 ARG 62 -5.176 -7.946 9.279 510 HH12 ARG 62 1HH1 ARG 62 -6.019 -8.746 10.562 511 HH21 ARG 62 1HH2 ARG 62 -9.171 -7.864 9.392 512 HH22 ARG 62 2HH2 ARG 62 -8.290 -8.700 10.626 513 H GLY 63 H GLY 63 -4.279 -4.902 3.534 514 HA2 GLY 63 2HA GLY 63 -3.654 -2.976 5.723 515 HA3 GLY 63 1HA GLY 63 -2.915 -2.744 4.139 516 H GLU 64 H GLU 64 -4.743 -0.903 5.444 517 HA GLU 64 HA GLU 64 -6.673 -0.604 3.247 518 HB2 GLU 64 2HB GLU 64 -7.963 -2.072 4.562 519 HB3 GLU 64 1HB GLU 64 -7.417 -1.353 6.073 520 HG2 GLU 64 2HG GLU 64 -8.860 0.465 5.880 521 HG3 GLU 64 1HG GLU 64 -8.941 0.345 4.122 522 H ALA 65 H ALA 65 -7.629 1.483 3.217 523 HA ALA 65 HA ALA 65 -7.069 3.461 5.301 524 HB1 ALA 65 3HB ALA 65 -5.431 3.232 2.781 525 HB2 ALA 65 1HB ALA 65 -4.875 3.452 4.440 526 HB3 ALA 65 2HB ALA 65 -5.633 4.791 3.579 527 H SER 66 H SER 66 -8.151 5.482 4.859 528 HA SER 66 HA SER 66 -9.750 5.611 2.335 529 HG SER 66 HG SER 66 -10.615 4.109 5.318 530 HB2 SER 66 2HB SER 66 -10.903 6.193 5.064 531 HB3 SER 66 1HB SER 66 -11.769 5.930 3.556 532 H THR 67 H THR 67 -10.316 7.749 1.718 533 HA THR 67 HA THR 67 -9.840 10.088 3.353 534 HB THR 67 HB THR 67 -7.509 9.341 2.974 535 HG1 THR 67 HG1 THR 67 -7.271 11.431 1.364 536 HG21 THR 67 3HG2 THR 67 -8.036 9.796 0.026 537 HG22 THR 67 1HG2 THR 67 -8.042 8.199 0.774 538 HG23 THR 67 2HG2 THR 67 -6.566 9.163 0.769 539 H ARG 68 H ARG 68 -10.120 12.112 2.023 540 HA ARG 68 HA ARG 68 -12.285 11.902 0.153 541 HE ARG 68 HE ARG 68 -13.885 14.130 3.989 542 HB2 ARG 68 2HB ARG 68 -10.367 14.018 1.092 543 HB3 ARG 68 1HB ARG 68 -11.413 14.372 -0.282 544 HG2 ARG 68 2HG ARG 68 -12.881 15.006 1.354 545 HG3 ARG 68 1HG ARG 68 -13.230 13.278 1.409 546 HD2 ARG 68 2HD ARG 68 -11.835 12.945 3.314 547 HD3 ARG 68 1HD ARG 68 -11.054 14.527 3.112 548 HH11 ARG 68 2HH1 ARG 68 -13.597 16.717 2.617 549 HH12 ARG 68 1HH1 ARG 68 -13.100 17.786 3.887 550 HH21 ARG 68 1HH2 ARG 68 -12.150 15.218 6.030 551 HH22 ARG 68 2HH2 ARG 68 -12.275 16.934 5.826 552 H SER 69 H SER 69 -8.775 12.055 -0.274 553 HA SER 69 HA SER 69 -8.721 12.612 -3.090 554 HG SER 69 HG SER 69 -6.227 12.730 -0.428 555 HB2 SER 69 2HB SER 69 -6.499 10.994 -2.333 556 HB3 SER 69 1HB SER 69 -6.545 12.742 -2.509 557 H GLN 70 H GLN 70 -8.936 11.252 -4.844 558 HA GLN 70 HA GLN 70 -10.046 8.581 -4.463 559 HB2 GLN 70 2HB GLN 70 -9.395 10.446 -6.721 560 HB3 GLN 70 1HB GLN 70 -9.685 8.749 -7.100 561 HG2 GLN 70 2HG GLN 70 -11.901 8.837 -6.461 562 HG3 GLN 70 1HG GLN 70 -11.622 10.115 -5.279 563 HE21 GLN 70 1HE2 GLN 70 -12.739 11.959 -5.955 564 HE22 GLN 70 2HE2 GLN 70 -12.802 12.525 -7.555 565 H SER 71 H SER 71 -7.099 9.758 -6.161 566 HA SER 71 HA SER 71 -5.955 7.079 -6.331 567 HG SER 71 HG SER 71 -3.718 8.413 -8.513 568 HB2 SER 71 2HB SER 71 -5.677 9.298 -7.776 569 HB3 SER 71 1HB SER 71 -4.373 9.611 -6.635 570 H GLY 72 H GLY 72 -5.647 9.853 -4.160 571 HA2 GLY 72 2HA GLY 72 -3.262 9.116 -2.801 572 HA3 GLY 72 1HA GLY 72 -4.553 10.095 -2.104 573 H VAL 73 H VAL 73 -6.647 8.106 -2.276 574 HA VAL 73 HA VAL 73 -6.301 6.726 0.184 575 HB VAL 73 HB VAL 73 -8.389 7.297 -1.355 576 HG11 VAL 73 1HG1 VAL 73 -7.974 4.377 -2.028 577 HG12 VAL 73 2HG1 VAL 73 -7.583 5.683 -3.145 578 HG13 VAL 73 3HG1 VAL 73 -9.246 5.448 -2.614 579 HG21 VAL 73 3HG2 VAL 73 -8.373 6.337 0.976 580 HG22 VAL 73 1HG2 VAL 73 -8.332 4.730 0.251 581 HG23 VAL 73 2HG2 VAL 73 -9.719 5.785 -0.021 582 H ALA 74 H ALA 74 -5.629 5.679 -3.145 583 HA ALA 74 HA ALA 74 -5.120 2.909 -2.540 584 HB1 ALA 74 3HB ALA 74 -5.589 3.641 -4.792 585 HB2 ALA 74 1HB ALA 74 -3.924 3.059 -4.781 586 HB3 ALA 74 2HB ALA 74 -4.252 4.791 -4.754 587 H GLY 75 H GLY 75 -3.032 5.793 -2.705 588 HA2 GLY 75 2HA GLY 75 -0.551 4.436 -2.282 589 HA3 GLY 75 1HA GLY 75 -0.838 6.146 -1.961 590 H LYS 76 H LYS 76 -2.995 5.732 -0.059 591 HA LYS 76 HA LYS 76 -1.451 5.350 2.352 592 HB2 LYS 76 2HB LYS 76 -3.587 6.768 1.797 593 HB3 LYS 76 1HB LYS 76 -4.456 5.283 2.180 594 HG2 LYS 76 2HG LYS 76 -4.192 5.639 4.387 595 HG3 LYS 76 1HG LYS 76 -2.445 5.773 4.192 596 HD2 LYS 76 2HD LYS 76 -3.815 8.135 3.175 597 HD3 LYS 76 1HD LYS 76 -4.200 7.843 4.870 598 HE2 LYS 76 2HE LYS 76 -2.204 9.213 4.829 599 HE3 LYS 76 1HE LYS 76 -1.686 7.573 5.268 600 HZ1 LYS 76 3HZ LYS 76 -0.447 8.736 3.370 601 HZ2 LYS 76 1HZ LYS 76 -1.829 8.427 2.439 602 HZ3 LYS 76 2HZ LYS 76 -0.955 7.136 3.116 603 H THR 77 H THR 77 -3.817 3.345 0.590 604 HA THR 77 HA THR 77 -3.991 1.245 2.540 605 HB THR 77 HB THR 77 -4.462 1.447 -0.448 606 HG1 THR 77 HG1 THR 77 -6.230 2.287 0.252 607 HG21 THR 77 3HG2 THR 77 -5.945 -0.682 0.225 608 HG22 THR 77 1HG2 THR 77 -4.631 -0.898 1.381 609 HG23 THR 77 2HG2 THR 77 -4.286 -0.838 -0.347 610 H ALA 78 H ALA 78 -1.837 1.792 -0.236 611 HA ALA 78 HA ALA 78 -0.494 -0.782 0.036 612 HB1 ALA 78 3HB ALA 78 1.128 0.616 -1.543 613 HB2 ALA 78 1HB ALA 78 -0.240 1.727 -1.587 614 HB3 ALA 78 2HB ALA 78 -0.437 0.062 -2.135 615 H LYS 79 H LYS 79 0.118 2.563 1.088 616 HA LYS 79 HA LYS 79 2.805 2.056 2.060 617 HB2 LYS 79 2HB LYS 79 1.449 4.263 1.465 618 HB3 LYS 79 1HB LYS 79 1.016 4.194 3.173 619 HG2 LYS 79 2HG LYS 79 3.801 3.659 3.012 620 HG3 LYS 79 1HG LYS 79 3.491 5.055 1.980 621 HD2 LYS 79 2HD LYS 79 1.958 5.661 4.169 622 HD3 LYS 79 1HD LYS 79 3.310 4.810 4.915 623 HE2 LYS 79 2HE LYS 79 4.176 6.975 4.843 624 HE3 LYS 79 1HE LYS 79 4.733 6.369 3.271 625 HZ1 LYS 79 3HZ LYS 79 2.500 8.173 3.881 626 HZ2 LYS 79 1HZ LYS 79 2.330 7.121 2.560 627 HZ3 LYS 79 2HZ LYS 79 3.615 8.232 2.598 628 H ASP 80 H ASP 80 -0.442 2.035 3.537 629 HA ASP 80 HA ASP 80 0.413 1.627 6.257 630 HB2 ASP 80 2HB ASP 80 -2.098 1.094 4.655 631 HB3 ASP 80 1HB ASP 80 -2.001 0.651 6.356 632 H PHE 81 H PHE 81 -0.279 -0.588 3.562 633 HA PHE 81 HA PHE 81 -0.108 -3.037 5.079 634 HD1 PHE 81 HD2 PHE 81 -0.937 -5.167 4.296 635 HD2 PHE 81 HD1 PHE 81 1.562 -3.949 1.021 636 HE1 PHE 81 HE2 PHE 81 -0.305 -7.531 3.897 637 HE2 PHE 81 HE1 PHE 81 2.189 -6.313 0.621 638 HZ PHE 81 HZ PHE 81 1.256 -8.105 2.058 639 HB2 PHE 81 2HB PHE 81 -1.190 -2.869 2.893 640 HB3 PHE 81 1HB PHE 81 0.321 -2.343 2.151 641 H VAL 82 H VAL 82 2.276 -1.100 3.258 642 HA VAL 82 HA VAL 82 4.489 -2.923 3.546 643 HB VAL 82 HB VAL 82 4.282 0.080 3.125 644 HG11 VAL 82 1HG1 VAL 82 6.685 -0.706 2.039 645 HG12 VAL 82 2HG1 VAL 82 6.617 -1.682 3.505 646 HG13 VAL 82 3HG1 VAL 82 6.504 0.074 3.610 647 HG21 VAL 82 3HG2 VAL 82 5.098 -1.953 1.067 648 HG22 VAL 82 1HG2 VAL 82 4.338 -0.378 0.836 649 HG23 VAL 82 2HG2 VAL 82 3.387 -1.737 1.436 650 H ARG 83 H ARG 83 3.266 -0.232 5.547 651 HA ARG 83 HA ARG 83 5.441 -0.142 7.422 652 HE ARG 83 HE ARG 83 5.695 3.945 9.483 653 HB2 ARG 83 2HB ARG 83 2.841 1.019 6.988 654 HB3 ARG 83 1HB ARG 83 2.957 0.510 8.669 655 HG2 ARG 83 2HG ARG 83 5.302 1.941 7.499 656 HG3 ARG 83 1HG ARG 83 3.864 2.893 7.866 657 HD2 ARG 83 2HD ARG 83 3.982 1.570 10.176 658 HD3 ARG 83 1HD ARG 83 5.698 1.439 9.740 659 HH11 ARG 83 2HH1 ARG 83 5.223 3.243 12.386 660 HH12 ARG 83 1HH1 ARG 83 3.881 4.263 12.779 661 HH21 ARG 83 1HH2 ARG 83 3.059 4.897 9.462 662 HH22 ARG 83 2HH2 ARG 83 2.650 5.205 11.117 663 H LYS 84 H LYS 84 2.435 -2.059 7.306 664 HA LYS 84 HA LYS 84 2.813 -3.311 9.898 665 HB2 LYS 84 2HB LYS 84 0.896 -3.216 7.791 666 HB3 LYS 84 1HB LYS 84 1.304 -4.915 8.034 667 HG2 LYS 84 2HG LYS 84 1.074 -3.766 10.617 668 HG3 LYS 84 1HG LYS 84 -0.315 -3.203 9.690 669 HD2 LYS 84 2HD LYS 84 0.318 -6.055 9.296 670 HD3 LYS 84 1HD LYS 84 -0.167 -5.644 10.940 671 HE2 LYS 84 2HE LYS 84 -1.776 -4.544 8.650 672 HE3 LYS 84 1HE LYS 84 -2.022 -6.229 9.149 673 HZ1 LYS 84 3HZ LYS 84 -2.380 -5.529 11.401 674 HZ2 LYS 84 1HZ LYS 84 -3.420 -4.633 10.404 675 HZ3 LYS 84 2HZ LYS 84 -2.009 -3.914 11.022 676 H ALA 85 H ALA 85 3.669 -4.161 6.550 677 HA ALA 85 HA ALA 85 4.695 -6.802 7.100 678 HB1 ALA 85 3HB ALA 85 5.534 -6.620 4.844 679 HB2 ALA 85 1HB ALA 85 5.516 -4.858 4.922 680 HB3 ALA 85 2HB ALA 85 3.998 -5.755 4.883 681 H PHE 86 H PHE 86 6.129 -3.547 7.132 682 HA PHE 86 HA PHE 86 8.875 -4.387 7.421 683 HD1 PHE 86 HD1 PHE 86 10.884 -2.639 8.252 684 HD2 PHE 86 HD2 PHE 86 8.132 -1.446 5.176 685 HE1 PHE 86 HE1 PHE 86 12.787 -2.168 6.732 686 HE2 PHE 86 HE2 PHE 86 10.034 -0.977 3.657 687 HZ PHE 86 HZ PHE 86 12.362 -1.337 4.434 688 HB2 PHE 86 2HB PHE 86 7.312 -1.976 7.301 689 HB3 PHE 86 1HB PHE 86 8.394 -1.869 8.687 690 H GLN 87 H GLN 87 6.270 -3.643 9.742 691 HA GLN 87 HA GLN 87 7.873 -3.821 12.129 692 HB2 GLN 87 2HB GLN 87 4.969 -3.952 11.376 693 HB3 GLN 87 1HB GLN 87 5.438 -4.386 13.020 694 HG2 GLN 87 2HG GLN 87 6.223 -2.248 13.509 695 HG3 GLN 87 1HG GLN 87 6.507 -1.856 11.812 696 HE21 GLN 87 1HE2 GLN 87 5.127 -0.056 11.505 697 HE22 GLN 87 2HE2 GLN 87 3.457 -0.083 11.812 698 H LYS 88 H LYS 88 5.989 -6.237 10.290 699 HA LYS 88 HA LYS 88 6.415 -8.394 12.184 700 HB2 LYS 88 2HB LYS 88 4.972 -7.859 9.776 701 HB3 LYS 88 1HB LYS 88 5.922 -9.321 9.511 702 HG2 LYS 88 2HG LYS 88 4.312 -8.955 12.036 703 HG3 LYS 88 1HG LYS 88 3.568 -9.586 10.566 704 HD2 LYS 88 2HD LYS 88 5.064 -11.457 10.503 705 HD3 LYS 88 1HD LYS 88 6.092 -10.759 11.755 706 HE2 LYS 88 2HE LYS 88 3.843 -10.819 13.179 707 HE3 LYS 88 1HE LYS 88 3.426 -12.108 12.033 708 HZ1 LYS 88 3HZ LYS 88 5.644 -13.086 12.480 709 HZ2 LYS 88 1HZ LYS 88 4.636 -13.078 13.844 710 HZ3 LYS 88 2HZ LYS 88 5.881 -11.930 13.704 711 H GLY 89 H GLY 89 7.805 -7.761 8.932 712 HA2 GLY 89 2HA GLY 89 10.382 -7.935 8.969 713 HA3 GLY 89 1HA GLY 89 10.081 -9.529 9.654 714 H LEU 90 H LEU 90 8.661 -7.698 6.915 715 HA LEU 90 HA LEU 90 9.170 -10.109 5.211 716 HG LEU 90 HG LEU 90 6.790 -10.690 6.408 717 HB2 LEU 90 2HB LEU 90 6.810 -8.365 5.685 718 HB3 LEU 90 1HB LEU 90 7.080 -8.852 4.013 719 HD11 LEU 90 1HD1 LEU 90 5.110 -10.828 3.939 720 HD12 LEU 90 2HD1 LEU 90 4.792 -9.523 5.083 721 HD13 LEU 90 3HD1 LEU 90 4.685 -11.202 5.609 722 HD21 LEU 90 3HD2 LEU 90 7.849 -11.115 3.651 723 HD22 LEU 90 1HD2 LEU 90 6.756 -12.348 4.277 724 HD23 LEU 90 2HD2 LEU 90 8.241 -11.963 5.147 725 H ILE 91 H ILE 91 8.681 -6.556 5.071 726 HA ILE 91 HA ILE 91 10.145 -6.455 2.498 727 HB ILE 91 HB ILE 91 8.629 -4.417 4.164 728 HG12 ILE 91 2HG1 ILE 91 7.962 -5.695 1.491 729 HG13 ILE 91 1HG1 ILE 91 7.320 -6.254 3.036 730 HG21 ILE 91 1HG2 ILE 91 10.449 -3.368 2.819 731 HG22 ILE 91 2HG2 ILE 91 8.847 -2.915 2.239 732 HG23 ILE 91 3HG2 ILE 91 9.788 -4.128 1.372 733 HD11 ILE 91 3HD1 ILE 91 6.310 -4.167 1.398 734 HD12 ILE 91 1HD1 ILE 91 6.961 -3.406 2.849 735 HD13 ILE 91 2HD1 ILE 91 5.732 -4.663 2.988 736 H SER 92 H SER 92 12.348 -6.388 2.710 737 HA SER 92 HA SER 92 13.651 -5.267 5.095 738 HG SER 92 HG SER 92 14.432 -8.205 3.943 739 HB2 SER 92 2HB SER 92 14.459 -6.658 2.556 740 HB3 SER 92 1HB SER 92 15.689 -5.858 3.530 741 H GLN 93 H GLN 93 15.705 -3.803 4.467 742 HA GLN 93 HA GLN 93 14.643 -1.316 3.393 743 HB2 GLN 93 2HB GLN 93 16.252 -1.522 5.289 744 HB3 GLN 93 1HB GLN 93 17.464 -2.139 4.169 745 HG2 GLN 93 2HG GLN 93 17.972 0.161 4.320 746 HG3 GLN 93 1HG GLN 93 17.038 0.041 2.829 747 HE21 GLN 93 1HE2 GLN 93 17.031 1.323 6.098 748 HE22 GLN 93 2HE2 GLN 93 15.547 2.139 5.978 749 H GLN 94 H GLN 94 17.479 -3.292 2.388 750 HA GLN 94 HA GLN 94 17.845 -1.991 -0.138 751 HB2 GLN 94 2HB GLN 94 18.609 -4.674 1.036 752 HB3 GLN 94 1HB GLN 94 19.102 -4.208 -0.591 753 HG2 GLN 94 2HG GLN 94 20.788 -2.982 0.250 754 HG3 GLN 94 1HG GLN 94 19.640 -2.014 1.175 755 HE21 GLN 94 1HE2 GLN 94 19.351 -2.524 3.437 756 HE22 GLN 94 2HE2 GLN 94 20.321 -3.660 4.241 757 H GLU 95 H GLU 95 15.967 -4.860 0.813 758 HA GLU 95 HA GLU 95 15.226 -5.872 -1.719 759 HB2 GLU 95 2HB GLU 95 14.805 -6.624 0.761 760 HB3 GLU 95 1HB GLU 95 13.326 -5.681 0.607 761 HG2 GLU 95 2HG GLU 95 12.797 -7.007 -1.475 762 HG3 GLU 95 1HG GLU 95 14.171 -8.043 -1.088 763 H ALA 96 H ALA 96 13.644 -3.317 0.235 764 HA ALA 96 HA ALA 96 11.471 -2.790 -1.555 765 HB1 ALA 96 3HB ALA 96 11.539 -2.016 0.762 766 HB2 ALA 96 1HB ALA 96 11.436 -0.609 -0.296 767 HB3 ALA 96 2HB ALA 96 12.980 -1.054 0.431 768 H ASN 97 H ASN 97 14.776 -1.456 -1.361 769 HA ASN 97 HA ASN 97 14.466 0.540 -3.409 770 HB2 ASN 97 2HB ASN 97 16.351 -0.116 -1.580 771 HB3 ASN 97 1HB ASN 97 17.079 -0.840 -3.014 772 HD21 ASN 97 1HD2 ASN 97 16.818 0.822 -5.059 773 HD22 ASN 97 2HD2 ASN 97 17.298 2.410 -4.704 774 H GLN 98 H GLN 98 15.436 -2.891 -3.502 775 HA GLN 98 HA GLN 98 16.170 -2.966 -6.280 776 HB2 GLN 98 2HB GLN 98 15.189 -5.009 -4.265 777 HB3 GLN 98 1HB GLN 98 15.680 -5.461 -5.897 778 HG2 GLN 98 2HG GLN 98 17.916 -4.781 -5.542 779 HG3 GLN 98 1HG GLN 98 17.490 -3.818 -4.128 780 HE21 GLN 98 1HE2 GLN 98 18.178 -7.094 -5.249 781 HE22 GLN 98 2HE2 GLN 98 18.195 -7.811 -3.710 782 H TRP 99 H TRP 99 13.075 -3.530 -4.582 783 HA TRP 99 HA TRP 99 11.577 -4.257 -6.948 784 HD1 TRP 99 HD1 TRP 99 9.745 -5.845 -6.854 785 HE1 TRP 99 HE1 TRP 99 7.241 -5.694 -7.443 786 HE3 TRP 99 HE3 TRP 99 8.431 -1.751 -4.092 787 HZ2 TRP 99 HZ2 TRP 99 4.980 -4.053 -6.824 788 HZ3 TRP 99 HZ3 TRP 99 6.099 -0.928 -4.109 789 HH2 TRP 99 HH2 TRP 99 4.373 -2.067 -5.473 790 HB2 TRP 99 2HB TRP 99 10.997 -4.671 -4.505 791 HB3 TRP 99 1HB TRP 99 10.575 -2.963 -4.394 792 H LEU 100 H LEU 100 12.196 -1.198 -5.240 793 HA LEU 100 HA LEU 100 10.452 0.534 -6.653 794 HG LEU 100 HG LEU 100 10.947 0.576 -4.068 795 HB2 LEU 100 2HB LEU 100 13.161 0.825 -5.343 796 HB3 LEU 100 1HB LEU 100 12.416 2.202 -6.153 797 HD11 LEU 100 1HD1 LEU 100 11.531 2.719 -2.657 798 HD12 LEU 100 2HD1 LEU 100 12.896 2.843 -3.766 799 HD13 LEU 100 3HD1 LEU 100 12.700 1.403 -2.766 800 HD21 LEU 100 3HD2 LEU 100 9.653 2.735 -3.910 801 HD22 LEU 100 1HD2 LEU 100 9.517 1.937 -5.476 802 HD23 LEU 100 2HD2 LEU 100 10.580 3.331 -5.286 803 H SER 101 H SER 101 13.729 -0.621 -7.492 804 HA SER 101 HA SER 101 13.933 0.913 -9.945 805 HG SER 101 HG SER 101 15.864 1.128 -8.586 806 HB2 SER 101 2HB SER 101 15.342 -1.618 -9.033 807 HB3 SER 101 1HB SER 101 15.904 -0.522 -10.291 808 H SER 102 HN SER 102 13.056 -2.474 -9.188 809 HA SER 102 HA SER 102 11.636 -2.635 -11.802 810 HG SER 102 HG SER 102 14.160 -3.026 -12.794 811 HB2 SER 102 2HB SER 102 14.045 -4.070 -10.897 812 HB3 SER 102 1HB SER 102 12.783 -5.130 -11.517 Start of MODEL 3 1 HA GLU 1 HA GLU 1 13.199 20.981 7.962 2 H1 GLU 1 1H GLU 1 15.343 21.096 9.138 3 H2 GLU 1 2H GLU 1 16.137 20.518 7.751 4 H3 GLU 1 3H GLU 1 15.025 19.529 8.572 5 HB2 GLU 1 2HB GLU 1 15.574 22.622 7.226 6 HB3 GLU 1 1HB GLU 1 14.169 22.774 6.172 7 HG2 GLU 1 2HG GLU 1 13.523 24.327 7.723 8 HG3 GLU 1 1HG GLU 1 12.947 22.903 8.589 9 H ALA 2 H ALA 2 12.095 20.553 5.985 10 HA ALA 2 HA ALA 2 11.647 19.349 4.008 11 HB1 ALA 2 3HB ALA 2 14.515 20.100 3.369 12 HB2 ALA 2 1HB ALA 2 13.182 21.253 3.306 13 HB3 ALA 2 2HB ALA 2 13.193 19.857 2.229 14 H TYR 3 H TYR 3 11.721 17.353 5.468 15 HA TYR 3 HA TYR 3 13.711 15.431 4.376 16 HD1 TYR 3 HD1 TYR 3 12.903 18.003 7.544 17 HD2 TYR 3 HD2 TYR 3 12.828 13.748 8.119 18 HE1 TYR 3 HE1 TYR 3 11.409 18.293 9.500 19 HE2 TYR 3 HE2 TYR 3 11.333 14.037 10.073 20 HH TYR 3 HH TYR 3 9.549 16.475 10.678 21 HB2 TYR 3 2HB TYR 3 14.399 14.735 6.600 22 HB3 TYR 3 1HB TYR 3 14.599 16.482 6.489 23 H VAL 4 H VAL 4 13.020 13.194 4.642 24 HA VAL 4 HA VAL 4 10.157 12.850 5.470 25 HB VAL 4 HB VAL 4 10.501 13.108 2.995 26 HG11 VAL 4 1HG1 VAL 4 11.528 10.509 2.414 27 HG12 VAL 4 2HG1 VAL 4 12.654 11.293 3.520 28 HG13 VAL 4 3HG1 VAL 4 12.228 12.073 1.998 29 HG21 VAL 4 3HG2 VAL 4 8.793 11.489 4.250 30 HG22 VAL 4 1HG2 VAL 4 9.723 10.248 3.408 31 HG23 VAL 4 2HG2 VAL 4 8.906 11.513 2.490 32 H GLN 5 H GLN 5 12.686 12.204 6.903 33 HA GLN 5 HA GLN 5 13.579 10.452 8.195 34 HB2 GLN 5 2HB GLN 5 10.758 9.794 7.573 35 HB3 GLN 5 1HB GLN 5 11.737 8.435 8.123 36 HG2 GLN 5 2HG GLN 5 12.474 9.811 10.075 37 HG3 GLN 5 1HG GLN 5 11.370 11.084 9.551 38 HE21 GLN 5 1HE2 GLN 5 11.502 7.769 10.849 39 HE22 GLN 5 2HE2 GLN 5 9.870 7.710 11.315 40 H GLY 6 H GLY 6 13.771 7.791 7.990 41 HA2 GLY 6 2HA GLY 6 14.883 7.351 5.258 42 HA3 GLY 6 1HA GLY 6 15.488 6.568 6.717 43 H TRP 7 H TRP 7 13.596 5.327 7.925 44 HA TRP 7 HA TRP 7 12.772 3.136 6.302 45 HD1 TRP 7 HD1 TRP 7 14.822 2.648 7.995 46 HE1 TRP 7 HE1 TRP 7 15.304 0.185 8.591 47 HE3 TRP 7 HE3 TRP 7 10.136 1.135 9.352 48 HZ2 TRP 7 HZ2 TRP 7 13.887 -2.120 9.519 49 HZ3 TRP 7 HZ3 TRP 7 9.731 -1.197 10.088 50 HH2 TRP 7 HH2 TRP 7 11.600 -2.825 10.174 51 HB2 TRP 7 2HB TRP 7 12.441 4.146 9.033 52 HB3 TRP 7 1HB TRP 7 11.018 3.268 8.477 53 H GLU 8 H GLU 8 10.900 5.955 7.471 54 HA GLU 8 HA GLU 8 8.398 5.286 6.283 55 HB2 GLU 8 2HB GLU 8 9.734 7.545 7.559 56 HB3 GLU 8 1HB GLU 8 8.657 8.084 6.272 57 HG2 GLU 8 2HG GLU 8 7.200 7.978 8.095 58 HG3 GLU 8 1HG GLU 8 6.957 6.401 7.347 59 H ALA 9 H ALA 9 11.209 7.056 4.988 60 HA ALA 9 HA ALA 9 10.052 7.869 2.504 61 HB1 ALA 9 3HB ALA 9 12.354 8.269 1.879 62 HB2 ALA 9 1HB ALA 9 12.931 7.102 3.068 63 HB3 ALA 9 2HB ALA 9 12.216 8.623 3.601 64 H VAL 10 H VAL 10 11.798 4.903 3.462 65 HA VAL 10 HA VAL 10 11.816 3.676 0.854 66 HB VAL 10 HB VAL 10 11.877 2.520 3.667 67 HG11 VAL 10 1HG1 VAL 10 11.310 0.791 2.026 68 HG12 VAL 10 2HG1 VAL 10 12.970 0.566 2.580 69 HG13 VAL 10 3HG1 VAL 10 12.658 1.292 1.004 70 HG21 VAL 10 3HG2 VAL 10 13.962 3.373 3.756 71 HG22 VAL 10 1HG2 VAL 10 13.772 4.054 2.142 72 HG23 VAL 10 2HG2 VAL 10 14.396 2.416 2.340 73 H ALA 11 H ALA 11 9.546 3.585 3.588 74 HA ALA 11 HA ALA 11 7.743 1.636 2.487 75 HB1 ALA 11 3HB ALA 11 7.831 2.283 4.863 76 HB2 ALA 11 1HB ALA 11 6.217 2.587 4.221 77 HB3 ALA 11 2HB ALA 11 7.344 3.926 4.444 78 H ALA 12 H ALA 12 7.931 5.185 2.289 79 HA ALA 12 HA ALA 12 5.467 5.636 0.907 80 HB1 ALA 12 3HB ALA 12 6.836 7.356 2.058 81 HB2 ALA 12 1HB ALA 12 6.538 7.806 0.378 82 HB3 ALA 12 2HB ALA 12 8.103 7.143 0.850 83 H ALA 13 H ALA 13 8.778 4.957 -0.253 84 HA ALA 13 HA ALA 13 8.258 5.281 -3.052 85 HB1 ALA 13 3HB ALA 13 10.481 5.135 -1.856 86 HB2 ALA 13 1HB ALA 13 10.373 4.104 -3.283 87 HB3 ALA 13 2HB ALA 13 10.203 3.403 -1.674 88 H VAL 14 H VAL 14 8.034 2.445 -0.888 89 HA VAL 14 HA VAL 14 7.335 0.530 -2.917 90 HB VAL 14 HB VAL 14 6.670 0.661 0.048 91 HG11 VAL 14 1HG1 VAL 14 6.510 -1.803 -0.121 92 HG12 VAL 14 2HG1 VAL 14 6.779 -1.698 -1.859 93 HG13 VAL 14 3HG1 VAL 14 5.315 -1.014 -1.151 94 HG21 VAL 14 3HG2 VAL 14 8.812 0.055 0.476 95 HG22 VAL 14 1HG2 VAL 14 9.169 0.553 -1.178 96 HG23 VAL 14 2HG2 VAL 14 8.813 -1.137 -0.825 97 H ALA 15 H ALA 15 5.405 2.704 -0.858 98 HA ALA 15 HA ALA 15 2.808 1.763 -1.624 99 HB1 ALA 15 3HB ALA 15 4.021 4.223 -0.419 100 HB2 ALA 15 1HB ALA 15 2.825 3.122 0.264 101 HB3 ALA 15 2HB ALA 15 2.343 4.303 -0.954 102 H SER 16 H SER 16 5.006 4.189 -3.031 103 HA SER 16 HA SER 16 3.177 5.233 -4.993 104 HG SER 16 HG SER 16 5.536 7.387 -5.790 105 HB2 SER 16 2HB SER 16 5.483 6.076 -4.088 106 HB3 SER 16 1HB SER 16 6.167 5.033 -5.332 107 H LYS 17 H LYS 17 5.542 2.560 -5.029 108 HA LYS 17 HA LYS 17 5.256 1.902 -7.814 109 HB2 LYS 17 2HB LYS 17 7.065 1.222 -6.116 110 HB3 LYS 17 1HB LYS 17 5.924 -0.003 -5.559 111 HG2 LYS 17 2HG LYS 17 7.100 -1.203 -7.174 112 HG3 LYS 17 1HG LYS 17 5.755 -0.584 -8.130 113 HD2 LYS 17 2HD LYS 17 7.116 1.257 -8.949 114 HD3 LYS 17 1HD LYS 17 8.449 0.788 -7.893 115 HE2 LYS 17 2HE LYS 17 9.062 -0.993 -9.228 116 HE3 LYS 17 1HE LYS 17 7.397 -1.306 -9.750 117 HZ1 LYS 17 3HZ LYS 17 8.457 -0.333 -11.593 118 HZ2 LYS 17 1HZ LYS 17 9.215 0.856 -10.650 119 HZ3 LYS 17 2HZ LYS 17 7.535 0.922 -10.910 120 H ILE 18 H ILE 18 3.414 1.031 -4.911 121 HA ILE 18 HA ILE 18 1.910 -1.150 -5.991 122 HB ILE 18 HB ILE 18 1.463 0.922 -3.832 123 HG12 ILE 18 2HG1 ILE 18 3.146 -0.934 -3.529 124 HG13 ILE 18 1HG1 ILE 18 1.857 -0.935 -2.330 125 HG21 ILE 18 1HG2 ILE 18 -0.415 -0.845 -3.176 126 HG22 ILE 18 2HG2 ILE 18 -0.454 -1.105 -4.919 127 HG23 ILE 18 3HG2 ILE 18 -0.773 0.499 -4.259 128 HD11 ILE 18 3HD1 ILE 18 1.705 -2.599 -4.853 129 HD12 ILE 18 1HD1 ILE 18 0.727 -2.748 -3.392 130 HD13 ILE 18 2HD1 ILE 18 2.430 -3.207 -3.364 131 H VAL 19 H VAL 19 1.140 2.349 -5.775 132 HA VAL 19 HA VAL 19 -1.312 2.169 -7.293 133 HB VAL 19 HB VAL 19 0.597 4.399 -6.538 134 HG11 VAL 19 1HG1 VAL 19 -0.367 5.454 -8.349 135 HG12 VAL 19 2HG1 VAL 19 -1.631 5.755 -7.156 136 HG13 VAL 19 3HG1 VAL 19 -1.806 4.434 -8.312 137 HG21 VAL 19 3HG2 VAL 19 -2.242 3.843 -5.629 138 HG22 VAL 19 1HG2 VAL 19 -1.079 4.951 -4.901 139 HG23 VAL 19 2HG2 VAL 19 -0.825 3.209 -4.792 140 H GLY 20 H GLY 20 2.070 2.872 -8.157 141 HA2 GLY 20 2HA GLY 20 1.547 3.572 -10.905 142 HA3 GLY 20 1HA GLY 20 3.112 3.096 -10.250 143 H LEU 21 H LEU 21 1.959 0.500 -9.228 144 HA LEU 21 HA LEU 21 1.831 -0.927 -11.859 145 HG LEU 21 HG LEU 21 2.532 -3.105 -11.835 146 HB2 LEU 21 2HB LEU 21 3.805 -1.064 -10.100 147 HB3 LEU 21 1HB LEU 21 2.716 -2.182 -9.281 148 HD11 LEU 21 1HD1 LEU 21 4.578 -2.969 -12.985 149 HD12 LEU 21 2HD1 LEU 21 5.463 -2.467 -11.545 150 HD13 LEU 21 3HD1 LEU 21 4.378 -1.335 -12.353 151 HD21 LEU 21 3HD2 LEU 21 4.599 -3.818 -9.730 152 HD22 LEU 21 1HD2 LEU 21 4.192 -4.839 -11.108 153 HD23 LEU 21 2HD2 LEU 21 2.977 -4.492 -9.879 154 H TRP 22 H TRP 22 -0.542 0.076 -10.419 155 HA TRP 22 HA TRP 22 -1.747 -2.416 -9.320 156 HD1 TRP 22 HD1 TRP 22 -3.598 -3.025 -8.129 157 HE1 TRP 22 HE1 TRP 22 -6.107 -2.966 -7.540 158 HE3 TRP 22 HE3 TRP 22 -4.528 1.966 -8.700 159 HZ2 TRP 22 HZ2 TRP 22 -8.225 -1.060 -7.332 160 HZ3 TRP 22 HZ3 TRP 22 -6.797 2.874 -8.298 161 HH2 TRP 22 HH2 TRP 22 -8.646 1.369 -7.616 162 HB2 TRP 22 2HB TRP 22 -1.868 -0.421 -7.936 163 HB3 TRP 22 1HB TRP 22 -2.544 0.511 -9.268 164 H ARG 23 H ARG 23 -3.364 -3.468 -10.414 165 HA ARG 23 HA ARG 23 -4.229 -2.405 -13.065 166 HE ARG 23 HE ARG 23 -2.610 -3.285 -15.360 167 HB2 ARG 23 2HB ARG 23 -3.194 -4.762 -12.457 168 HB3 ARG 23 1HB ARG 23 -4.834 -5.132 -11.933 169 HG2 ARG 23 2HG ARG 23 -5.411 -5.519 -14.074 170 HG3 ARG 23 1HG ARG 23 -5.037 -3.840 -14.462 171 HD2 ARG 23 2HD ARG 23 -2.604 -5.441 -14.192 172 HD3 ARG 23 1HD ARG 23 -3.682 -6.071 -15.454 173 HH11 ARG 23 1HH2 ARG 23 -5.295 -3.374 -16.636 174 HH12 ARG 23 2HH2 ARG 23 -4.915 -3.679 -18.296 175 HH21 ARG 23 2HH1 ARG 23 -1.676 -4.752 -17.629 176 HH22 ARG 23 1HH1 ARG 23 -2.858 -4.463 -18.862 177 H ASN 24 H ASN 24 -6.711 -3.735 -13.255 178 HA ASN 24 HA ASN 24 -8.581 -1.996 -12.108 179 HB2 ASN 24 2HB ASN 24 -8.566 -4.781 -13.174 180 HB3 ASN 24 1HB ASN 24 -9.996 -4.303 -12.260 181 HD21 ASN 24 1HD2 ASN 24 -11.026 -2.148 -13.003 182 HD22 ASN 24 2HD2 ASN 24 -10.972 -1.790 -14.660 183 H GLU 25 H GLU 25 -7.422 -5.109 -10.777 184 HA GLU 25 HA GLU 25 -7.877 -4.156 -8.027 185 HB2 GLU 25 2HB GLU 25 -9.419 -6.050 -7.517 186 HB3 GLU 25 1HB GLU 25 -10.095 -4.957 -8.720 187 HG2 GLU 25 2HG GLU 25 -10.444 -6.825 -9.959 188 HG3 GLU 25 1HG GLU 25 -8.716 -6.757 -10.292 189 H LYS 26 H LYS 26 -5.554 -5.075 -9.620 190 HA LYS 26 HA LYS 26 -4.680 -7.303 -7.832 191 HB2 LYS 26 2HB LYS 26 -5.573 -8.074 -10.090 192 HB3 LYS 26 1HB LYS 26 -4.214 -7.224 -10.824 193 HG2 LYS 26 2HG LYS 26 -3.127 -9.209 -10.556 194 HG3 LYS 26 1HG LYS 26 -2.931 -8.672 -8.889 195 HD2 LYS 26 2HD LYS 26 -4.255 -10.330 -8.135 196 HD3 LYS 26 1HD LYS 26 -5.541 -9.873 -9.252 197 HE2 LYS 26 2HE LYS 26 -4.872 -11.401 -10.865 198 HE3 LYS 26 1HE LYS 26 -3.168 -11.324 -10.378 199 HZ1 LYS 26 3HZ LYS 26 -4.368 -13.397 -9.681 200 HZ2 LYS 26 1HZ LYS 26 -5.305 -12.438 -8.642 201 HZ3 LYS 26 2HZ LYS 26 -3.623 -12.543 -8.414 202 H THR 27 H THR 27 -2.426 -7.339 -7.445 203 HA THR 27 HA THR 27 -0.660 -5.369 -8.778 204 HB THR 27 HB THR 27 -1.657 -4.033 -7.025 205 HG1 THR 27 HG1 THR 27 0.239 -3.381 -6.468 206 HG21 THR 27 3HG2 THR 27 -2.702 -5.449 -5.521 207 HG22 THR 27 1HG2 THR 27 -1.278 -4.994 -4.585 208 HG23 THR 27 2HG2 THR 27 -1.323 -6.541 -5.429 209 H GLU 28 H GLU 28 1.662 -5.740 -8.006 210 HA GLU 28 HA GLU 28 2.019 -8.528 -6.954 211 HB2 GLU 28 2HB GLU 28 2.290 -8.239 -9.451 212 HB3 GLU 28 1HB GLU 28 3.647 -7.163 -9.117 213 HG2 GLU 28 2HG GLU 28 4.692 -9.035 -7.779 214 HG3 GLU 28 1HG GLU 28 3.411 -10.090 -8.371 215 H LEU 29 H LEU 29 3.055 -8.334 -5.001 216 HA LEU 29 HA LEU 29 4.944 -6.065 -4.578 217 HG LEU 29 HG LEU 29 2.956 -5.297 -3.675 218 HB2 LEU 29 2HB LEU 29 3.220 -7.831 -2.903 219 HB3 LEU 29 1HB LEU 29 4.694 -7.210 -2.161 220 HD11 LEU 29 1HD1 LEU 29 1.170 -5.807 -2.377 221 HD12 LEU 29 2HD1 LEU 29 2.078 -5.062 -1.062 222 HD13 LEU 29 3HD1 LEU 29 2.137 -6.810 -1.295 223 HD21 LEU 29 3HD2 LEU 29 4.618 -5.113 -1.139 224 HD22 LEU 29 1HD2 LEU 29 3.807 -3.762 -1.931 225 HD23 LEU 29 2HD2 LEU 29 5.133 -4.592 -2.744 226 H LEU 30 H LEU 30 7.076 -6.523 -4.872 227 HA LEU 30 HA LEU 30 9.122 -7.684 -4.957 228 HG LEU 30 HG LEU 30 10.527 -9.218 -3.695 229 HB2 LEU 30 2HB LEU 30 8.027 -8.002 -2.513 230 HB3 LEU 30 1HB LEU 30 8.083 -9.691 -3.014 231 HD11 LEU 30 1HD1 LEU 30 11.548 -7.372 -2.300 232 HD12 LEU 30 2HD1 LEU 30 9.911 -6.814 -1.955 233 HD13 LEU 30 3HD1 LEU 30 10.515 -6.806 -3.611 234 HD21 LEU 30 3HD2 LEU 30 10.100 -10.620 -1.807 235 HD22 LEU 30 1HD2 LEU 30 9.548 -9.259 -0.831 236 HD23 LEU 30 2HD2 LEU 30 11.255 -9.410 -1.246 237 H GLY 31 H GLY 31 6.874 -8.586 -6.754 238 HA2 GLY 31 2HA GLY 31 6.939 -10.228 -8.489 239 HA3 GLY 31 1HA GLY 31 8.074 -11.170 -7.525 240 H HIS 32 H HIS 32 5.910 -10.560 -5.238 241 HA HIS 32 HA HIS 32 4.535 -13.132 -5.584 242 HD1 HIS 32 HD1 HIS 32 5.727 -14.517 -4.056 243 HD2 HIS 32 HD2 HIS 32 6.833 -10.978 -2.151 244 HE1 HIS 32 HE1 HIS 32 8.008 -14.935 -3.036 245 HB2 HIS 32 2HB HIS 32 4.422 -10.967 -3.454 246 HB3 HIS 32 1HB HIS 32 3.704 -12.568 -3.306 247 H GLU 33 H GLU 33 2.274 -13.365 -5.853 248 HA GLU 33 HA GLU 33 0.903 -11.221 -7.264 249 HB2 GLU 33 2HB GLU 33 0.216 -13.986 -6.251 250 HB3 GLU 33 1HB GLU 33 -1.011 -12.967 -7.007 251 HG2 GLU 33 2HG GLU 33 -0.100 -13.185 -9.088 252 HG3 GLU 33 1HG GLU 33 1.555 -13.140 -8.478 253 H CYS 34 H CYS 34 -0.459 -9.707 -6.412 254 HA CYS 34 HA CYS 34 -1.469 -10.055 -3.617 255 HB2 CYS 34 2HB CYS 34 0.141 -7.846 -4.873 256 HB3 CYS 34 1HB CYS 34 -0.947 -7.483 -3.536 257 H LYS 35 H LYS 35 -3.212 -8.334 -3.193 258 HA LYS 35 HA LYS 35 -4.733 -7.683 -5.686 259 HB2 LYS 35 2HB LYS 35 -5.398 -9.781 -4.295 260 HB3 LYS 35 1HB LYS 35 -6.027 -8.615 -3.132 261 HG2 LYS 35 2HG LYS 35 -7.919 -8.718 -4.396 262 HG3 LYS 35 1HG LYS 35 -7.047 -7.626 -5.468 263 HD2 LYS 35 2HD LYS 35 -7.406 -9.218 -7.047 264 HD3 LYS 35 1HD LYS 35 -6.079 -10.070 -6.261 265 HE2 LYS 35 2HE LYS 35 -7.485 -11.731 -5.637 266 HE3 LYS 35 1HE LYS 35 -8.526 -10.563 -4.802 267 HZ1 LYS 35 3HZ LYS 35 -8.533 -11.118 -7.724 268 HZ2 LYS 35 1HZ LYS 35 -9.498 -9.960 -6.946 269 HZ3 LYS 35 2HZ LYS 35 -9.726 -11.612 -6.619 270 H PHE 36 H PHE 36 -5.052 -5.518 -5.728 271 HA PHE 36 HA PHE 36 -5.418 -4.053 -3.134 272 HD1 PHE 36 HD1 PHE 36 -5.488 -0.960 -5.437 273 HD2 PHE 36 HD2 PHE 36 -2.819 -2.445 -2.417 274 HE1 PHE 36 HE1 PHE 36 -5.479 1.267 -4.350 275 HE2 PHE 36 HE2 PHE 36 -2.815 -0.218 -1.329 276 HZ PHE 36 HZ PHE 36 -4.145 1.636 -2.295 277 HB2 PHE 36 2HB PHE 36 -3.249 -3.730 -4.408 278 HB3 PHE 36 1HB PHE 36 -4.198 -3.073 -5.736 279 H THR 37 H THR 37 -7.319 -2.797 -3.053 280 HA THR 37 HA THR 37 -8.721 -2.230 -5.629 281 HB THR 37 HB THR 37 -10.839 -3.021 -4.412 282 HG1 THR 37 HG1 THR 37 -10.533 -4.323 -2.659 283 HG21 THR 37 3HG2 THR 37 -9.455 -4.280 -6.186 284 HG22 THR 37 1HG2 THR 37 -10.547 -5.237 -5.185 285 HG23 THR 37 2HG2 THR 37 -8.819 -5.220 -4.836 286 H VAL 38 H VAL 38 -10.146 -0.445 -5.554 287 HA VAL 38 HA VAL 38 -10.237 1.162 -3.032 288 HB VAL 38 HB VAL 38 -9.495 2.112 -5.824 289 HG11 VAL 38 1HG1 VAL 38 -9.140 4.305 -4.733 290 HG12 VAL 38 2HG1 VAL 38 -9.727 3.637 -3.209 291 HG13 VAL 38 3HG1 VAL 38 -10.819 3.784 -4.588 292 HG21 VAL 38 3HG2 VAL 38 -7.339 2.741 -4.610 293 HG22 VAL 38 1HG2 VAL 38 -7.600 1.013 -4.845 294 HG23 VAL 38 2HG2 VAL 38 -7.906 1.744 -3.270 295 H LYS 39 H LYS 39 -12.344 1.870 -2.658 296 HA LYS 39 HA LYS 39 -14.148 2.376 -4.958 297 HB2 LYS 39 2HB LYS 39 -14.202 -0.081 -4.371 298 HB3 LYS 39 1HB LYS 39 -14.812 0.372 -2.780 299 HG2 LYS 39 2HG LYS 39 -16.865 0.212 -3.735 300 HG3 LYS 39 1HG LYS 39 -16.488 1.781 -4.446 301 HD2 LYS 39 2HD LYS 39 -15.984 0.880 -6.520 302 HD3 LYS 39 1HD LYS 39 -15.501 -0.676 -5.844 303 HE2 LYS 39 2HE LYS 39 -18.374 0.172 -5.574 304 HE3 LYS 39 1HE LYS 39 -17.809 -0.470 -7.128 305 HZ1 LYS 39 3HZ LYS 39 -17.378 -1.777 -4.490 306 HZ2 LYS 39 1HZ LYS 39 -16.912 -2.393 -6.000 307 HZ3 LYS 39 2HZ LYS 39 -18.560 -2.241 -5.619 308 HA PRO 40 HA PRO 40 -15.264 5.398 -1.858 309 HB2 PRO 40 2HB PRO 40 -16.901 6.883 -3.457 310 HB3 PRO 40 1HB PRO 40 -15.133 6.981 -3.533 311 HG2 PRO 40 2HG PRO 40 -17.030 5.583 -5.336 312 HG3 PRO 40 1HG PRO 40 -15.513 6.408 -5.716 313 HD2 PRO 40 2HD PRO 40 -15.812 3.673 -5.515 314 HD3 PRO 40 1HD PRO 40 -14.270 4.539 -5.347 315 H TYR 41 H TYR 41 -17.156 5.810 -0.602 316 HA TYR 41 HA TYR 41 -19.560 4.155 -1.294 317 HD1 TYR 41 HD1 TYR 41 -18.875 2.131 -1.119 318 HD2 TYR 41 HD2 TYR 41 -16.652 3.597 2.251 319 HE1 TYR 41 HE1 TYR 41 -17.261 0.264 -1.370 320 HE2 TYR 41 HE2 TYR 41 -15.044 1.731 1.998 321 HH TYR 41 HH TYR 41 -14.486 0.111 -0.493 322 HB2 TYR 41 2HB TYR 41 -18.462 4.847 1.448 323 HB3 TYR 41 1HB TYR 41 -19.789 3.749 1.097 324 H LEU 42 H LEU 42 -21.335 5.104 0.504 325 HA LEU 42 HA LEU 42 -21.390 8.070 0.085 326 HG LEU 42 HG LEU 42 -23.245 9.098 -0.565 327 HB2 LEU 42 2HB LEU 42 -22.836 6.237 -1.326 328 HB3 LEU 42 1HB LEU 42 -23.944 6.576 0.002 329 HD11 LEU 42 1HD1 LEU 42 -22.917 7.571 -3.166 330 HD12 LEU 42 2HD1 LEU 42 -21.685 8.530 -2.348 331 HD13 LEU 42 3HD1 LEU 42 -23.093 9.322 -3.056 332 HD21 LEU 42 3HD2 LEU 42 -25.539 8.131 -0.571 333 HD22 LEU 42 1HD2 LEU 42 -25.250 7.500 -2.192 334 HD23 LEU 42 2HD2 LEU 42 -25.287 9.241 -1.917 335 H LYS 43 H LYS 43 -22.259 9.260 1.772 336 HA LYS 43 HA LYS 43 -23.090 7.764 4.236 337 HB2 LYS 43 2HB LYS 43 -20.888 9.249 3.953 338 HB3 LYS 43 1HB LYS 43 -22.020 10.566 4.256 339 HG2 LYS 43 2HG LYS 43 -21.855 10.124 6.458 340 HG3 LYS 43 1HG LYS 43 -22.643 8.575 6.159 341 HD2 LYS 43 2HD LYS 43 -19.678 8.935 5.724 342 HD3 LYS 43 1HD LYS 43 -20.330 8.525 7.310 343 HE2 LYS 43 2HE LYS 43 -21.439 6.526 6.330 344 HE3 LYS 43 1HE LYS 43 -20.724 6.924 4.754 345 HZ1 LYS 43 3HZ LYS 43 -19.184 6.516 7.267 346 HZ2 LYS 43 1HZ LYS 43 -18.534 6.830 5.732 347 HZ3 LYS 43 2HZ LYS 43 -19.338 5.363 6.028 348 H ARG 44 H ARG 44 -24.430 9.408 5.687 349 HA ARG 44 HA ARG 44 -26.964 9.850 4.761 350 HE ARG 44 HE ARG 44 -28.355 8.286 8.875 351 HB2 ARG 44 2HB ARG 44 -25.233 11.419 6.671 352 HB3 ARG 44 1HB ARG 44 -26.936 11.820 6.446 353 HG2 ARG 44 2HG ARG 44 -26.655 8.967 6.777 354 HG3 ARG 44 1HG ARG 44 -25.855 9.800 8.110 355 HD2 ARG 44 2HD ARG 44 -27.975 11.209 8.348 356 HD3 ARG 44 1HD ARG 44 -28.748 10.058 7.240 357 HH11 ARG 44 1HH2 ARG 44 -29.758 10.248 10.590 358 HH12 ARG 44 2HH2 ARG 44 -28.696 10.403 11.949 359 HH21 ARG 44 2HH1 ARG 44 -25.969 9.000 10.311 360 HH22 ARG 44 1HH1 ARG 44 -26.542 9.694 11.791 361 H PHE 45 H PHE 45 -24.269 12.156 4.359 362 HA PHE 45 HA PHE 45 -25.612 13.322 2.006 363 HD1 PHE 45 HD1 PHE 45 -25.465 16.312 1.438 364 HD2 PHE 45 HD2 PHE 45 -28.248 14.451 4.131 365 HE1 PHE 45 HE1 PHE 45 -27.354 17.290 0.163 366 HE2 PHE 45 HE2 PHE 45 -30.136 15.430 2.856 367 HZ PHE 45 HZ PHE 45 -29.689 16.849 0.872 368 HB2 PHE 45 2HB PHE 45 -25.937 14.386 4.608 369 HB3 PHE 45 1HB PHE 45 -24.818 15.470 3.782 370 H GLN 46 H GLN 46 -23.087 11.871 2.391 371 HA GLN 46 HA GLN 46 -21.270 13.830 1.145 372 HB2 GLN 46 2HB GLN 46 -21.188 13.082 3.986 373 HB3 GLN 46 1HB GLN 46 -19.644 12.851 3.165 374 HG2 GLN 46 2HG GLN 46 -20.053 15.229 2.196 375 HG3 GLN 46 1HG GLN 46 -21.237 15.389 3.493 376 HE21 GLN 46 1HE2 GLN 46 -17.766 14.644 2.922 377 HE22 GLN 46 2HE2 GLN 46 -17.246 15.183 4.445 378 H VAL 47 H VAL 47 -19.727 12.789 -0.136 379 HA VAL 47 HA VAL 47 -19.889 9.816 -0.278 380 HB VAL 47 HB VAL 47 -18.678 11.927 -2.100 381 HG11 VAL 47 1HG1 VAL 47 -17.539 9.849 -2.492 382 HG12 VAL 47 2HG1 VAL 47 -18.747 10.006 -3.768 383 HG13 VAL 47 3HG1 VAL 47 -19.045 8.935 -2.400 384 HG21 VAL 47 3HG2 VAL 47 -20.967 12.262 -2.331 385 HG22 VAL 47 1HG2 VAL 47 -21.358 10.595 -1.909 386 HG23 VAL 47 2HG2 VAL 47 -20.724 10.975 -3.511 387 H TYR 48 H TYR 48 -18.255 8.626 0.639 388 HA TYR 48 HA TYR 48 -15.688 10.018 1.310 389 HD1 TYR 48 HD2 TYR 48 -14.768 9.949 4.077 390 HD2 TYR 48 HD1 TYR 48 -18.947 9.353 3.273 391 HE1 TYR 48 HE2 TYR 48 -15.338 11.715 5.722 392 HE2 TYR 48 HE1 TYR 48 -19.516 11.119 4.917 393 HH TYR 48 HH TYR 48 -17.951 13.325 5.863 394 HB2 TYR 48 2HB TYR 48 -17.295 7.758 2.494 395 HB3 TYR 48 1HB TYR 48 -15.588 7.938 2.893 396 H TYR 49 H TYR 49 -13.694 8.758 1.046 397 HA TYR 49 HA TYR 49 -13.893 6.712 -1.133 398 HD1 TYR 49 HD2 TYR 49 -13.953 9.506 -2.791 399 HD2 TYR 49 HD1 TYR 49 -10.980 6.407 -2.781 400 HE1 TYR 49 HE2 TYR 49 -14.226 9.237 -5.241 401 HE2 TYR 49 HE1 TYR 49 -11.247 6.137 -5.230 402 HH TYR 49 HH TYR 49 -13.663 6.954 -6.914 403 HB2 TYR 49 2HB TYR 49 -12.467 9.163 -0.863 404 HB3 TYR 49 1HB TYR 49 -11.278 7.862 -0.855 405 H LYS 50 H LYS 50 -13.061 4.698 -0.679 406 HA LYS 50 HA LYS 50 -11.173 4.393 1.613 407 HB2 LYS 50 2HB LYS 50 -13.422 4.081 2.486 408 HB3 LYS 50 1HB LYS 50 -13.812 2.976 1.170 409 HG2 LYS 50 2HG LYS 50 -12.482 1.260 2.035 410 HG3 LYS 50 1HG LYS 50 -11.475 2.376 2.961 411 HD2 LYS 50 2HD LYS 50 -13.627 2.894 4.303 412 HD3 LYS 50 1HD LYS 50 -14.268 1.417 3.582 413 HE2 LYS 50 2HE LYS 50 -12.540 0.071 4.571 414 HE3 LYS 50 1HE LYS 50 -11.623 1.508 5.066 415 HZ1 LYS 50 3HZ LYS 50 -12.927 0.674 6.917 416 HZ2 LYS 50 1HZ LYS 50 -14.350 0.766 5.998 417 HZ3 LYS 50 2HZ LYS 50 -13.524 2.187 6.429 418 H GLY 51 H GLY 51 -9.801 2.565 1.402 419 HA2 GLY 51 2HA GLY 51 -10.190 0.816 -0.963 420 HA3 GLY 51 1HA GLY 51 -8.682 1.718 -0.846 421 H ARG 52 H ARG 52 -9.013 -1.174 -0.826 422 HA ARG 52 HA ARG 52 -7.616 -1.752 1.741 423 HE ARG 52 HE ARG 52 -11.493 -4.513 2.305 424 HB2 ARG 52 2HB ARG 52 -10.097 -2.168 1.929 425 HB3 ARG 52 1HB ARG 52 -9.943 -3.359 0.638 426 HG2 ARG 52 2HG ARG 52 -9.026 -4.910 2.019 427 HG3 ARG 52 1HG ARG 52 -7.993 -3.721 2.814 428 HD2 ARG 52 2HD ARG 52 -9.503 -4.415 4.524 429 HD3 ARG 52 1HD ARG 52 -10.189 -2.885 3.944 430 HH11 ARG 52 2HH1 ARG 52 -10.519 -6.888 3.955 431 HH12 ARG 52 1HH1 ARG 52 -11.878 -7.153 4.996 432 HH21 ARG 52 1HH2 ARG 52 -13.304 -4.046 4.357 433 HH22 ARG 52 2HH2 ARG 52 -13.458 -5.535 5.228 434 H MET 53 H MET 53 -6.175 -3.579 1.558 435 HA MET 53 HA MET 53 -6.035 -4.935 -1.090 436 HB2 MET 53 2HB MET 53 -3.748 -4.285 -1.413 437 HB3 MET 53 1HB MET 53 -4.637 -2.820 -1.018 438 HG2 MET 53 2HG MET 53 -3.808 -2.802 1.223 439 HG3 MET 53 1HG MET 53 -3.193 -4.448 1.081 440 HE1 MET 53 3HE MET 53 -0.257 -4.710 -0.335 441 HE2 MET 53 1HE MET 53 -0.996 -4.228 -1.867 442 HE3 MET 53 2HE MET 53 -1.914 -5.180 -0.704 443 H TRP 54 H TRP 54 -4.870 -6.927 -1.032 444 HA TRP 54 HA TRP 54 -3.790 -7.915 1.534 445 HD1 TRP 54 HD1 TRP 54 -5.864 -11.009 -0.893 446 HE1 TRP 54 HE1 TRP 54 -7.692 -10.608 -2.665 447 HE3 TRP 54 HE3 TRP 54 -7.655 -6.493 0.689 448 HZ2 TRP 54 HZ2 TRP 54 -9.655 -8.635 -3.323 449 HZ3 TRP 54 HZ3 TRP 54 -9.501 -5.378 -0.529 450 HH2 TRP 54 HH2 TRP 54 -10.504 -6.443 -2.531 451 HB2 TRP 54 2HB TRP 54 -5.381 -9.881 1.454 452 HB3 TRP 54 1HB TRP 54 -6.154 -8.340 1.810 453 H CYS 55 H CYS 55 -2.356 -9.688 1.233 454 HA CYS 55 HA CYS 55 -1.843 -10.417 -1.630 455 HB2 CYS 55 2HB CYS 55 -0.059 -10.027 0.775 456 HB3 CYS 55 1HB CYS 55 0.515 -10.796 -0.701 457 HA PRO 56 HA PRO 56 -2.906 -14.385 0.379 458 HB2 PRO 56 2HB PRO 56 -4.334 -15.392 -1.727 459 HB3 PRO 56 1HB PRO 56 -5.046 -14.325 -0.501 460 HG2 PRO 56 2HG PRO 56 -4.221 -13.726 -3.275 461 HG3 PRO 56 1HG PRO 56 -5.509 -13.012 -2.297 462 HD2 PRO 56 2HD PRO 56 -3.022 -11.864 -2.806 463 HD3 PRO 56 1HD PRO 56 -4.151 -11.370 -1.538 464 H GLY 57 H GLY 57 -0.532 -14.720 0.077 465 HA2 GLY 57 2HA GLY 57 0.276 -16.979 -1.227 466 HA3 GLY 57 1HA GLY 57 0.415 -15.761 -2.494 467 H TRP 58 H TRP 58 1.305 -13.557 -1.082 468 HA TRP 58 HA TRP 58 4.116 -14.132 -0.722 469 HD1 TRP 58 HD1 TRP 58 5.856 -13.209 0.171 470 HE1 TRP 58 HE1 TRP 58 7.525 -11.425 0.991 471 HE3 TRP 58 HE3 TRP 58 2.928 -9.033 -0.157 472 HZ2 TRP 58 HZ2 TRP 58 7.612 -8.605 1.447 473 HZ3 TRP 58 HZ3 TRP 58 3.831 -6.815 0.476 474 HH2 TRP 58 HH2 TRP 58 6.166 -6.596 1.278 475 HB2 TRP 58 2HB TRP 58 3.189 -12.005 -1.581 476 HB3 TRP 58 1HB TRP 58 2.412 -11.711 -0.035 477 H THR 59 H THR 59 1.594 -13.017 1.561 478 HA THR 59 HA THR 59 2.734 -14.636 3.730 479 HB THR 59 HB THR 59 4.201 -12.661 3.649 480 HG1 THR 59 HG1 THR 59 3.903 -13.255 5.704 481 HG21 THR 59 3HG2 THR 59 3.414 -10.639 3.070 482 HG22 THR 59 1HG2 THR 59 2.344 -10.625 4.471 483 HG23 THR 59 2HG2 THR 59 1.795 -11.329 2.949 484 H ALA 60 H ALA 60 1.479 -13.231 5.847 485 HA ALA 60 HA ALA 60 -1.417 -13.427 5.090 486 HB1 ALA 60 3HB ALA 60 -1.704 -14.258 7.421 487 HB2 ALA 60 1HB ALA 60 0.035 -14.097 7.673 488 HB3 ALA 60 2HB ALA 60 -0.583 -15.264 6.505 489 H ILE 61 H ILE 61 -0.117 -10.959 4.810 490 HA ILE 61 HA ILE 61 -1.126 -9.397 7.166 491 HB ILE 61 HB ILE 61 1.284 -9.081 5.356 492 HG12 ILE 61 2HG1 ILE 61 1.079 -9.019 8.379 493 HG13 ILE 61 1HG1 ILE 61 1.340 -10.509 7.472 494 HG21 ILE 61 1HG2 ILE 61 1.653 -6.946 6.770 495 HG22 ILE 61 2HG2 ILE 61 -0.071 -7.042 7.128 496 HG23 ILE 61 3HG2 ILE 61 0.475 -6.856 5.462 497 HD11 ILE 61 3HD1 ILE 61 3.541 -9.941 7.805 498 HD12 ILE 61 1HD1 ILE 61 3.186 -8.217 7.925 499 HD13 ILE 61 2HD1 ILE 61 3.256 -8.994 6.344 500 H ARG 62 H ARG 62 -2.391 -7.562 6.659 501 HA ARG 62 HA ARG 62 -2.905 -7.038 3.763 502 HE ARG 62 HE ARG 62 -5.007 -4.997 7.040 503 HB2 ARG 62 2HB ARG 62 -5.320 -6.726 4.475 504 HB3 ARG 62 1HB ARG 62 -4.728 -8.377 4.558 505 HG2 ARG 62 2HG ARG 62 -5.100 -8.470 6.782 506 HG3 ARG 62 1HG ARG 62 -4.203 -6.976 7.047 507 HD2 ARG 62 2HD ARG 62 -6.854 -6.592 5.787 508 HD3 ARG 62 1HD ARG 62 -6.901 -7.206 7.451 509 HH11 ARG 62 2HH1 ARG 62 -6.417 -5.644 9.629 510 HH12 ARG 62 1HH1 ARG 62 -7.574 -4.360 9.732 511 HH21 ARG 62 1HH2 ARG 62 -7.283 -3.477 6.387 512 HH22 ARG 62 2HH2 ARG 62 -8.064 -3.126 7.892 513 H GLY 63 H GLY 63 -4.120 -4.904 3.498 514 HA2 GLY 63 2HA GLY 63 -3.496 -2.926 5.621 515 HA3 GLY 63 1HA GLY 63 -2.780 -2.664 4.032 516 H GLU 64 H GLU 64 -4.650 -0.899 5.326 517 HA GLU 64 HA GLU 64 -6.599 -0.613 3.158 518 HB2 GLU 64 2HB GLU 64 -7.770 -2.255 4.421 519 HB3 GLU 64 1HB GLU 64 -7.359 -1.491 5.952 520 HG2 GLU 64 2HG GLU 64 -8.697 0.548 4.974 521 HG3 GLU 64 1HG GLU 64 -9.396 -0.660 3.899 522 H ALA 65 H ALA 65 -7.658 1.444 3.251 523 HA ALA 65 HA ALA 65 -7.242 3.291 5.474 524 HB1 ALA 65 3HB ALA 65 -5.631 4.737 4.328 525 HB2 ALA 65 1HB ALA 65 -5.641 3.670 2.925 526 HB3 ALA 65 2HB ALA 65 -4.973 3.107 4.457 527 H SER 66 H SER 66 -8.299 5.346 5.103 528 HA SER 66 HA SER 66 -9.845 5.589 2.552 529 HG SER 66 HG SER 66 -10.801 3.924 5.380 530 HB2 SER 66 2HB SER 66 -10.992 6.034 5.316 531 HB3 SER 66 1HB SER 66 -11.872 5.948 3.796 532 H THR 67 H THR 67 -10.448 7.785 2.045 533 HA THR 67 HA THR 67 -9.911 10.040 3.763 534 HB THR 67 HB THR 67 -7.591 9.170 3.311 535 HG1 THR 67 HG1 THR 67 -8.025 11.414 3.672 536 HG21 THR 67 3HG2 THR 67 -8.155 8.391 0.971 537 HG22 THR 67 1HG2 THR 67 -6.647 9.292 1.109 538 HG23 THR 67 2HG2 THR 67 -8.088 10.080 0.470 539 H ARG 68 H ARG 68 -10.279 12.095 2.630 540 HA ARG 68 HA ARG 68 -12.383 12.083 0.732 541 HE ARG 68 HE ARG 68 -13.935 16.435 -0.378 542 HB2 ARG 68 2HB ARG 68 -10.855 13.918 2.248 543 HB3 ARG 68 1HB ARG 68 -10.750 14.470 0.577 544 HG2 ARG 68 2HG ARG 68 -13.330 14.059 0.536 545 HG3 ARG 68 1HG ARG 68 -13.196 14.111 2.294 546 HD2 ARG 68 2HD ARG 68 -13.445 16.375 1.986 547 HD3 ARG 68 1HD ARG 68 -11.716 16.316 1.589 548 HH11 ARG 68 1HH2 ARG 68 -11.661 18.367 -0.422 549 HH12 ARG 68 2HH2 ARG 68 -10.658 17.735 -1.683 550 HH21 ARG 68 2HH1 ARG 68 -12.190 14.612 -1.691 551 HH22 ARG 68 1HH1 ARG 68 -10.958 15.597 -2.406 552 H SER 69 H SER 69 -8.863 12.308 0.206 553 HA SER 69 HA SER 69 -8.944 12.983 -2.580 554 HG SER 69 HG SER 69 -6.096 13.418 -0.462 555 HB2 SER 69 2HB SER 69 -6.765 11.276 -1.456 556 HB3 SER 69 1HB SER 69 -6.647 12.727 -2.441 557 H GLN 70 H GLN 70 -8.976 11.685 -4.417 558 HA GLN 70 HA GLN 70 -10.122 9.009 -4.189 559 HB2 GLN 70 2HB GLN 70 -9.201 10.808 -6.445 560 HB3 GLN 70 1HB GLN 70 -9.848 9.195 -6.743 561 HG2 GLN 70 2HG GLN 70 -11.923 10.058 -6.639 562 HG3 GLN 70 1HG GLN 70 -11.641 10.431 -4.938 563 HE21 GLN 70 1HE2 GLN 70 -11.115 12.640 -4.372 564 HE22 GLN 70 2HE2 GLN 70 -11.198 13.905 -5.500 565 H SER 71 H SER 71 -7.037 10.326 -5.462 566 HA SER 71 HA SER 71 -5.883 7.647 -5.786 567 HG SER 71 HG SER 71 -5.134 9.594 -8.297 568 HB2 SER 71 2HB SER 71 -4.554 10.371 -5.901 569 HB3 SER 71 1HB SER 71 -4.002 8.886 -6.669 570 H GLY 72 H GLY 72 -5.816 10.264 -3.422 571 HA2 GLY 72 2HA GLY 72 -3.509 9.512 -1.940 572 HA3 GLY 72 1HA GLY 72 -4.886 10.393 -1.278 573 H VAL 73 H VAL 73 -6.884 8.364 -1.752 574 HA VAL 73 HA VAL 73 -6.630 6.783 0.611 575 HB VAL 73 HB VAL 73 -8.663 7.480 -0.941 576 HG11 VAL 73 1HG1 VAL 73 -7.838 6.153 -2.889 577 HG12 VAL 73 2HG1 VAL 73 -9.453 5.674 -2.371 578 HG13 VAL 73 3HG1 VAL 73 -8.060 4.683 -1.942 579 HG21 VAL 73 3HG2 VAL 73 -8.837 4.712 0.217 580 HG22 VAL 73 1HG2 VAL 73 -10.006 6.028 0.306 581 HG23 VAL 73 2HG2 VAL 73 -8.536 6.088 1.278 582 H ALA 74 H ALA 74 -5.841 6.057 -2.779 583 HA ALA 74 HA ALA 74 -5.276 3.250 -2.384 584 HB1 ALA 74 3HB ALA 74 -4.342 3.434 -4.627 585 HB2 ALA 74 1HB ALA 74 -4.196 5.184 -4.461 586 HB3 ALA 74 2HB ALA 74 -5.791 4.436 -4.550 587 H GLY 75 H GLY 75 -3.297 6.207 -2.288 588 HA2 GLY 75 2HA GLY 75 -0.773 4.870 -1.960 589 HA3 GLY 75 1HA GLY 75 -1.091 6.559 -1.564 590 H LYS 76 H LYS 76 -3.305 5.905 0.277 591 HA LYS 76 HA LYS 76 -1.762 5.517 2.697 592 HB2 LYS 76 2HB LYS 76 -4.700 5.728 2.001 593 HB3 LYS 76 1HB LYS 76 -4.147 5.525 3.662 594 HG2 LYS 76 2HG LYS 76 -2.773 7.566 3.459 595 HG3 LYS 76 1HG LYS 76 -3.332 7.775 1.799 596 HD2 LYS 76 2HD LYS 76 -4.845 9.139 2.906 597 HD3 LYS 76 1HD LYS 76 -5.724 7.610 2.942 598 HE2 LYS 76 2HE LYS 76 -4.917 7.147 5.208 599 HE3 LYS 76 1HE LYS 76 -3.919 8.614 5.176 600 HZ1 LYS 76 3HZ LYS 76 -6.879 8.418 5.071 601 HZ2 LYS 76 1HZ LYS 76 -6.049 9.831 4.622 602 HZ3 LYS 76 2HZ LYS 76 -5.922 9.241 6.212 603 H THR 77 H THR 77 -4.032 3.479 0.825 604 HA THR 77 HA THR 77 -4.071 1.277 2.677 605 HB THR 77 HB THR 77 -4.528 1.477 -0.321 606 HG1 THR 77 HG1 THR 77 -6.197 2.502 0.433 607 HG21 THR 77 3HG2 THR 77 -5.699 -0.645 -0.159 608 HG22 THR 77 1HG2 THR 77 -5.405 -0.714 1.578 609 HG23 THR 77 2HG2 THR 77 -4.057 -0.856 0.450 610 H ALA 78 H ALA 78 -2.004 2.086 -0.098 611 HA ALA 78 HA ALA 78 -0.493 -0.392 -0.028 612 HB1 ALA 78 3HB ALA 78 -0.845 1.118 -2.008 613 HB2 ALA 78 1HB ALA 78 0.854 0.753 -1.708 614 HB3 ALA 78 2HB ALA 78 0.188 2.312 -1.223 615 H LYS 79 H LYS 79 -0.031 2.885 1.297 616 HA LYS 79 HA LYS 79 2.659 2.419 2.270 617 HB2 LYS 79 2HB LYS 79 1.403 4.616 1.813 618 HB3 LYS 79 1HB LYS 79 0.607 4.357 3.364 619 HG2 LYS 79 2HG LYS 79 2.388 5.328 4.351 620 HG3 LYS 79 1HG LYS 79 3.339 3.924 3.867 621 HD2 LYS 79 2HD LYS 79 4.564 5.616 2.859 622 HD3 LYS 79 1HD LYS 79 3.454 5.209 1.550 623 HE2 LYS 79 2HE LYS 79 2.362 7.191 3.446 624 HE3 LYS 79 1HE LYS 79 3.788 7.752 2.553 625 HZ1 LYS 79 3HZ LYS 79 1.478 6.383 1.276 626 HZ2 LYS 79 1HZ LYS 79 2.782 7.139 0.496 627 HZ3 LYS 79 2HZ LYS 79 1.644 8.071 1.345 628 H ASP 80 H ASP 80 -0.595 2.142 3.694 629 HA ASP 80 HA ASP 80 0.253 1.542 6.378 630 HB2 ASP 80 2HB ASP 80 -2.229 1.085 4.719 631 HB3 ASP 80 1HB ASP 80 -2.134 0.495 6.375 632 H PHE 81 H PHE 81 -0.326 -0.488 3.508 633 HA PHE 81 HA PHE 81 -0.057 -3.036 4.856 634 HD1 PHE 81 HD2 PHE 81 2.259 -4.198 2.326 635 HD2 PHE 81 HD1 PHE 81 -1.993 -4.727 2.603 636 HE1 PHE 81 HE2 PHE 81 2.539 -6.634 1.965 637 HE2 PHE 81 HE1 PHE 81 -1.712 -7.162 2.237 638 HZ PHE 81 HZ PHE 81 0.553 -8.117 1.920 639 HB2 PHE 81 2HB PHE 81 -1.107 -2.560 2.602 640 HB3 PHE 81 1HB PHE 81 0.511 -2.274 1.968 641 H VAL 82 H VAL 82 2.205 -0.864 3.166 642 HA VAL 82 HA VAL 82 4.513 -2.567 3.319 643 HB VAL 82 HB VAL 82 4.088 0.427 3.086 644 HG11 VAL 82 1HG1 VAL 82 6.515 0.294 2.159 645 HG12 VAL 82 2HG1 VAL 82 6.622 -1.209 3.076 646 HG13 VAL 82 3HG1 VAL 82 6.294 0.310 3.909 647 HG21 VAL 82 3HG2 VAL 82 4.473 0.070 0.742 648 HG22 VAL 82 1HG2 VAL 82 3.322 -1.167 1.249 649 HG23 VAL 82 2HG2 VAL 82 5.019 -1.583 1.021 650 H ARG 83 H ARG 83 3.192 -0.080 5.511 651 HA ARG 83 HA ARG 83 5.384 -0.050 7.370 652 HE ARG 83 HE ARG 83 4.165 1.549 11.468 653 HB2 ARG 83 2HB ARG 83 3.279 1.492 7.018 654 HB3 ARG 83 1HB ARG 83 2.502 0.373 8.140 655 HG2 ARG 83 2HG ARG 83 4.560 0.755 9.652 656 HG3 ARG 83 1HG ARG 83 4.897 2.147 8.623 657 HD2 ARG 83 2HD ARG 83 3.182 3.364 9.512 658 HD3 ARG 83 1HD ARG 83 2.087 1.967 9.540 659 HH11 ARG 83 1HH2 ARG 83 1.182 1.264 11.944 660 HH12 ARG 83 2HH2 ARG 83 0.900 2.503 13.121 661 HH21 ARG 83 2HH1 ARG 83 3.910 4.131 12.512 662 HH22 ARG 83 1HH1 ARG 83 2.450 4.132 13.444 663 H LYS 84 H LYS 84 2.400 -2.013 7.199 664 HA LYS 84 HA LYS 84 2.811 -3.404 9.696 665 HB2 LYS 84 2HB LYS 84 0.753 -3.140 8.033 666 HB3 LYS 84 1HB LYS 84 1.410 -4.618 7.329 667 HG2 LYS 84 2HG LYS 84 -0.144 -5.361 8.969 668 HG3 LYS 84 1HG LYS 84 1.440 -5.553 9.723 669 HD2 LYS 84 2HD LYS 84 1.176 -3.542 11.001 670 HD3 LYS 84 1HD LYS 84 -0.255 -3.071 10.084 671 HE2 LYS 84 2HE LYS 84 -0.708 -5.699 11.160 672 HE3 LYS 84 1HE LYS 84 -0.170 -4.631 12.471 673 HZ1 LYS 84 3HZ LYS 84 -2.314 -4.024 10.498 674 HZ2 LYS 84 1HZ LYS 84 -1.769 -2.967 11.709 675 HZ3 LYS 84 2HZ LYS 84 -2.553 -4.413 12.135 676 H ALA 85 H ALA 85 3.744 -4.085 6.325 677 HA ALA 85 HA ALA 85 4.896 -6.690 6.856 678 HB1 ALA 85 3HB ALA 85 5.704 -6.461 4.581 679 HB2 ALA 85 1HB ALA 85 5.529 -4.709 4.648 680 HB3 ALA 85 2HB ALA 85 4.098 -5.737 4.646 681 H PHE 86 H PHE 86 6.145 -3.362 6.819 682 HA PHE 86 HA PHE 86 8.940 -3.987 7.031 683 HD1 PHE 86 HD1 PHE 86 10.815 -2.518 7.612 684 HD2 PHE 86 HD2 PHE 86 7.860 -0.585 5.166 685 HE1 PHE 86 HE1 PHE 86 12.590 -1.793 6.042 686 HE2 PHE 86 HE2 PHE 86 9.636 0.139 3.594 687 HZ PHE 86 HZ PHE 86 12.001 -0.463 4.033 688 HB2 PHE 86 2HB PHE 86 7.176 -1.709 7.079 689 HB3 PHE 86 1HB PHE 86 8.311 -1.569 8.417 690 H GLN 87 H GLN 87 6.386 -3.457 9.481 691 HA GLN 87 HA GLN 87 8.118 -3.647 11.783 692 HB2 GLN 87 2HB GLN 87 5.235 -3.574 11.121 693 HB3 GLN 87 1HB GLN 87 5.616 -4.401 12.631 694 HG2 GLN 87 2HG GLN 87 6.030 -2.444 13.667 695 HG3 GLN 87 1HG GLN 87 7.176 -1.973 12.413 696 HE21 GLN 87 1HE2 GLN 87 3.572 -2.317 12.682 697 HE22 GLN 87 2HE2 GLN 87 3.239 -0.860 11.877 698 H LYS 88 H LYS 88 6.277 -6.061 9.915 699 HA LYS 88 HA LYS 88 6.774 -8.251 11.764 700 HB2 LYS 88 2HB LYS 88 5.709 -7.876 8.977 701 HB3 LYS 88 1HB LYS 88 6.078 -9.506 9.540 702 HG2 LYS 88 2HG LYS 88 4.430 -7.655 11.250 703 HG3 LYS 88 1HG LYS 88 3.674 -8.555 9.935 704 HD2 LYS 88 2HD LYS 88 4.331 -10.662 10.882 705 HD3 LYS 88 1HD LYS 88 5.377 -9.873 12.064 706 HE2 LYS 88 2HE LYS 88 3.336 -8.765 13.045 707 HE3 LYS 88 1HE LYS 88 2.342 -9.752 11.955 708 HZ1 LYS 88 3HZ LYS 88 4.350 -10.814 13.879 709 HZ2 LYS 88 1HZ LYS 88 3.371 -11.741 12.848 710 HZ3 LYS 88 2HZ LYS 88 2.666 -10.845 14.108 711 H GLY 89 H GLY 89 8.108 -7.447 8.532 712 HA2 GLY 89 2HA GLY 89 10.674 -7.566 8.492 713 HA3 GLY 89 1HA GLY 89 10.442 -9.179 9.158 714 H LEU 90 H LEU 90 8.841 -7.385 6.499 715 HA LEU 90 HA LEU 90 9.461 -9.716 4.723 716 HG LEU 90 HG LEU 90 7.259 -10.431 6.152 717 HB2 LEU 90 2HB LEU 90 6.982 -8.144 5.293 718 HB3 LEU 90 1HB LEU 90 7.212 -8.724 3.643 719 HD11 LEU 90 1HD1 LEU 90 5.167 -11.307 5.416 720 HD12 LEU 90 2HD1 LEU 90 5.311 -10.527 3.841 721 HD13 LEU 90 3HD1 LEU 90 5.018 -9.555 5.283 722 HD21 LEU 90 3HD2 LEU 90 7.899 -10.970 3.265 723 HD22 LEU 90 1HD2 LEU 90 7.164 -12.246 4.235 724 HD23 LEU 90 2HD2 LEU 90 8.715 -11.558 4.713 725 H ILE 91 H ILE 91 8.627 -6.218 4.679 726 HA ILE 91 HA ILE 91 9.869 -5.910 2.027 727 HB ILE 91 HB ILE 91 8.578 -3.974 3.987 728 HG12 ILE 91 2HG1 ILE 91 7.540 -5.170 1.396 729 HG13 ILE 91 1HG1 ILE 91 7.097 -5.743 3.003 730 HG21 ILE 91 1HG2 ILE 91 8.575 -2.351 2.198 731 HG22 ILE 91 2HG2 ILE 91 9.218 -3.530 1.055 732 HG23 ILE 91 3HG2 ILE 91 10.231 -2.932 2.368 733 HD11 ILE 91 3HD1 ILE 91 6.358 -3.349 3.503 734 HD12 ILE 91 1HD1 ILE 91 5.360 -4.242 2.356 735 HD13 ILE 91 2HD1 ILE 91 6.516 -3.044 1.773 736 H SER 92 H SER 92 12.070 -6.563 2.767 737 HA SER 92 HA SER 92 13.528 -5.138 4.787 738 HG SER 92 HG SER 92 14.258 -8.270 2.770 739 HB2 SER 92 2HB SER 92 14.875 -6.253 2.353 740 HB3 SER 92 1HB SER 92 15.309 -6.439 4.048 741 H GLN 93 H GLN 93 15.108 -3.439 4.473 742 HA GLN 93 HA GLN 93 14.317 -1.258 2.854 743 HB2 GLN 93 2HB GLN 93 17.036 -1.989 3.996 744 HB3 GLN 93 1HB GLN 93 16.570 -0.376 3.454 745 HG2 GLN 93 2HG GLN 93 14.510 -1.197 5.191 746 HG3 GLN 93 1HG GLN 93 16.008 -1.683 5.983 747 HE21 GLN 93 1HE2 GLN 93 14.352 1.155 4.546 748 HE22 GLN 93 2HE2 GLN 93 15.240 2.308 5.420 749 H GLN 94 H GLN 94 16.931 -3.642 2.254 750 HA GLN 94 HA GLN 94 17.664 -2.571 -0.329 751 HB2 GLN 94 2HB GLN 94 18.908 -4.135 1.360 752 HB3 GLN 94 1HB GLN 94 18.027 -5.433 0.553 753 HG2 GLN 94 2HG GLN 94 19.902 -5.389 -0.787 754 HG3 GLN 94 1HG GLN 94 18.936 -4.178 -1.629 755 HE21 GLN 94 1HE2 GLN 94 21.642 -4.586 0.658 756 HE22 GLN 94 2HE2 GLN 94 22.243 -3.007 0.484 757 H GLU 95 H GLU 95 15.508 -5.228 0.690 758 HA GLU 95 HA GLU 95 14.876 -6.217 -1.921 759 HB2 GLU 95 2HB GLU 95 13.814 -6.360 0.850 760 HB3 GLU 95 1HB GLU 95 12.660 -6.746 -0.425 761 HG2 GLU 95 2HG GLU 95 13.739 -8.807 0.185 762 HG3 GLU 95 1HG GLU 95 14.392 -8.329 -1.382 763 H ALA 96 H ALA 96 13.365 -3.684 0.090 764 HA ALA 96 HA ALA 96 11.112 -3.125 -1.561 765 HB1 ALA 96 3HB ALA 96 11.110 -0.997 -0.331 766 HB2 ALA 96 1HB ALA 96 12.796 -1.238 0.125 767 HB3 ALA 96 2HB ALA 96 11.549 -2.307 0.766 768 H ASN 97 H ASN 97 14.433 -1.792 -1.631 769 HA ASN 97 HA ASN 97 13.990 0.053 -3.800 770 HB2 ASN 97 2HB ASN 97 15.901 0.215 -2.295 771 HB3 ASN 97 1HB ASN 97 16.450 -1.396 -2.762 772 HD21 ASN 97 1HD2 ASN 97 18.236 -1.200 -4.129 773 HD22 ASN 97 2HD2 ASN 97 18.398 -0.043 -5.359 774 H GLN 98 H GLN 98 15.025 -3.352 -3.669 775 HA GLN 98 HA GLN 98 15.664 -3.710 -6.428 776 HB2 GLN 98 2HB GLN 98 15.997 -5.225 -4.350 777 HB3 GLN 98 1HB GLN 98 14.344 -5.764 -4.641 778 HG2 GLN 98 2HG GLN 98 15.695 -5.824 -7.145 779 HG3 GLN 98 1HG GLN 98 16.749 -6.604 -5.965 780 HE21 GLN 98 1HE2 GLN 98 16.196 -8.731 -5.343 781 HE22 GLN 98 2HE2 GLN 98 14.730 -9.488 -5.742 782 H TRP 99 H TRP 99 12.564 -4.041 -4.675 783 HA TRP 99 HA TRP 99 11.018 -4.892 -6.960 784 HD1 TRP 99 HD1 TRP 99 9.011 -6.009 -7.066 785 HE1 TRP 99 HE1 TRP 99 6.499 -5.629 -7.507 786 HE3 TRP 99 HE3 TRP 99 8.112 -2.174 -3.813 787 HZ2 TRP 99 HZ2 TRP 99 4.394 -3.926 -6.601 788 HZ3 TRP 99 HZ3 TRP 99 5.847 -1.193 -3.628 789 HH2 TRP 99 HH2 TRP 99 3.988 -2.064 -5.020 790 HB2 TRP 99 2HB TRP 99 10.390 -5.138 -4.551 791 HB3 TRP 99 1HB TRP 99 10.178 -3.391 -4.457 792 H LEU 100 H LEU 100 11.742 -1.726 -5.517 793 HA LEU 100 HA LEU 100 10.032 -0.099 -7.116 794 HG LEU 100 HG LEU 100 10.085 0.316 -4.776 795 HB2 LEU 100 2HB LEU 100 12.606 0.260 -5.606 796 HB3 LEU 100 1HB LEU 100 12.058 1.567 -6.652 797 HD11 LEU 100 1HD1 LEU 100 10.773 1.709 -2.944 798 HD12 LEU 100 2HD1 LEU 100 11.978 2.529 -3.939 799 HD13 LEU 100 3HD1 LEU 100 12.210 0.841 -3.483 800 HD21 LEU 100 3HD2 LEU 100 10.503 2.900 -6.232 801 HD22 LEU 100 1HD2 LEU 100 9.580 2.932 -4.730 802 HD23 LEU 100 2HD2 LEU 100 9.039 1.927 -6.075 803 H SER 101 H SER 101 13.267 -1.432 -7.770 804 HA SER 101 HA SER 101 13.847 0.015 -10.168 805 HG SER 101 HG SER 101 16.585 -1.049 -9.115 806 HB2 SER 101 2HB SER 101 14.607 -2.759 -9.203 807 HB3 SER 101 1HB SER 101 15.370 -1.951 -10.566 808 H SER 102 HN SER 102 12.033 -3.018 -9.622 809 HA SER 102 HA SER 102 11.550 -3.336 -12.520 810 HG SER 102 HG SER 102 9.802 -4.678 -9.626 811 HB2 SER 102 2HB SER 102 10.360 -5.413 -11.671 812 HB3 SER 102 1HB SER 102 12.061 -5.314 -11.234 Start of MODEL 4 1 HA GLU 1 HA GLU 1 11.482 13.212 18.036 2 H1 GLU 1 1H GLU 1 11.061 15.949 16.937 3 H2 GLU 1 2H GLU 1 12.560 15.335 17.448 4 H3 GLU 1 3H GLU 1 11.300 15.550 18.568 5 HB2 GLU 1 2HB GLU 1 9.298 14.248 18.512 6 HB3 GLU 1 1HB GLU 1 9.111 14.669 16.810 7 HG2 GLU 1 2HG GLU 1 7.850 12.618 17.351 8 HG3 GLU 1 1HG GLU 1 9.146 12.272 16.209 9 H ALA 2 H ALA 2 10.295 14.895 15.081 10 HA ALA 2 HA ALA 2 11.118 12.716 13.338 11 HB1 ALA 2 3HB ALA 2 10.380 14.324 11.585 12 HB2 ALA 2 1HB ALA 2 10.283 15.590 12.809 13 HB3 ALA 2 2HB ALA 2 9.203 14.197 12.892 14 H TYR 3 H TYR 3 13.222 12.358 12.759 15 HA TYR 3 HA TYR 3 14.936 14.592 11.887 16 HD1 TYR 3 HD2 TYR 3 15.941 16.514 13.637 17 HD2 TYR 3 HD1 TYR 3 18.161 12.841 13.445 18 HE1 TYR 3 HE2 TYR 3 18.036 17.797 13.300 19 HE2 TYR 3 HE1 TYR 3 20.255 14.124 13.108 20 HH TYR 3 HH TYR 3 20.629 16.781 12.052 21 HB2 TYR 3 2HB TYR 3 15.002 14.339 14.462 22 HB3 TYR 3 1HB TYR 3 15.877 12.837 14.165 23 H VAL 4 H VAL 4 15.115 11.158 12.942 24 HA VAL 4 HA VAL 4 17.123 10.476 10.947 25 HB VAL 4 HB VAL 4 16.825 9.394 13.187 26 HG11 VAL 4 1HG1 VAL 4 14.384 8.111 11.921 27 HG12 VAL 4 2HG1 VAL 4 14.319 9.388 13.136 28 HG13 VAL 4 3HG1 VAL 4 15.006 7.816 13.544 29 HG21 VAL 4 3HG2 VAL 4 17.984 8.244 11.283 30 HG22 VAL 4 1HG2 VAL 4 16.457 7.461 10.878 31 HG23 VAL 4 2HG2 VAL 4 17.238 7.123 12.421 32 H GLN 5 H GLN 5 16.812 9.445 8.954 33 HA GLN 5 HA GLN 5 14.000 8.844 8.109 34 HB2 GLN 5 2HB GLN 5 14.993 11.159 7.464 35 HB3 GLN 5 1HB GLN 5 16.013 10.249 6.348 36 HG2 GLN 5 2HG GLN 5 14.043 9.310 5.250 37 HG3 GLN 5 1HG GLN 5 12.984 10.104 6.416 38 HE21 GLN 5 1HE2 GLN 5 12.164 12.084 5.718 39 HE22 GLN 5 2HE2 GLN 5 12.893 13.082 4.553 40 H GLY 6 H GLY 6 13.847 7.118 6.596 41 HA2 GLY 6 2HA GLY 6 15.745 6.010 4.932 42 HA3 GLY 6 1HA GLY 6 16.138 5.306 6.500 43 H TRP 7 H TRP 7 14.232 4.257 7.655 44 HA TRP 7 HA TRP 7 13.057 2.216 6.055 45 HD1 TRP 7 HD1 TRP 7 15.034 1.370 7.352 46 HE1 TRP 7 HE1 TRP 7 15.286 -1.113 8.003 47 HE3 TRP 7 HE3 TRP 7 10.518 0.582 9.608 48 HZ2 TRP 7 HZ2 TRP 7 13.772 -3.161 9.304 49 HZ3 TRP 7 HZ3 TRP 7 9.952 -1.642 10.544 50 HH2 TRP 7 HH2 TRP 7 11.571 -3.512 10.395 51 HB2 TRP 7 2HB TRP 7 13.009 3.200 8.814 52 HB3 TRP 7 1HB TRP 7 11.463 2.508 8.335 53 H GLU 8 H GLU 8 11.585 5.217 7.354 54 HA GLU 8 HA GLU 8 8.964 4.805 6.291 55 HB2 GLU 8 2HB GLU 8 9.755 6.496 8.012 56 HB3 GLU 8 1HB GLU 8 10.438 7.430 6.681 57 HG2 GLU 8 2HG GLU 8 7.585 6.579 6.440 58 HG3 GLU 8 1HG GLU 8 7.954 7.874 7.579 59 H ALA 9 H ALA 9 11.831 6.429 4.926 60 HA ALA 9 HA ALA 9 10.659 7.365 2.508 61 HB1 ALA 9 3HB ALA 9 13.455 6.483 3.275 62 HB2 ALA 9 1HB ALA 9 12.821 8.128 3.257 63 HB3 ALA 9 2HB ALA 9 13.087 7.270 1.740 64 H VAL 10 H VAL 10 12.161 4.227 3.310 65 HA VAL 10 HA VAL 10 12.027 3.117 0.660 66 HB VAL 10 HB VAL 10 12.028 1.842 3.419 67 HG11 VAL 10 1HG1 VAL 10 12.745 0.638 0.726 68 HG12 VAL 10 2HG1 VAL 10 11.269 0.290 1.625 69 HG13 VAL 10 3HG1 VAL 10 12.834 -0.177 2.287 70 HG21 VAL 10 3HG2 VAL 10 14.318 2.036 3.408 71 HG22 VAL 10 1HG2 VAL 10 13.963 3.419 2.375 72 HG23 VAL 10 2HG2 VAL 10 14.427 1.879 1.655 73 H ALA 11 H ALA 11 9.776 3.097 3.422 74 HA ALA 11 HA ALA 11 7.819 1.335 2.283 75 HB1 ALA 11 3HB ALA 11 7.703 1.746 4.609 76 HB2 ALA 11 1HB ALA 11 6.346 2.677 3.975 77 HB3 ALA 11 2HB ALA 11 7.854 3.490 4.395 78 H ALA 12 H ALA 12 8.248 4.872 2.136 79 HA ALA 12 HA ALA 12 5.806 5.450 0.727 80 HB1 ALA 12 3HB ALA 12 8.476 6.899 0.728 81 HB2 ALA 12 1HB ALA 12 7.253 7.064 1.988 82 HB3 ALA 12 2HB ALA 12 6.908 7.610 0.346 83 H ALA 13 H ALA 13 9.113 4.666 -0.346 84 HA ALA 13 HA ALA 13 8.700 5.102 -3.152 85 HB1 ALA 13 3HB ALA 13 10.552 3.221 -1.648 86 HB2 ALA 13 1HB ALA 13 10.897 4.909 -2.031 87 HB3 ALA 13 2HB ALA 13 10.756 3.721 -3.328 88 H VAL 14 H VAL 14 8.306 2.216 -1.077 89 HA VAL 14 HA VAL 14 7.661 0.358 -3.158 90 HB VAL 14 HB VAL 14 6.874 0.539 -0.228 91 HG11 VAL 14 1HG1 VAL 14 5.342 -0.971 -1.403 92 HG12 VAL 14 2HG1 VAL 14 6.457 -1.909 -0.411 93 HG13 VAL 14 3HG1 VAL 14 6.704 -1.801 -2.153 94 HG21 VAL 14 3HG2 VAL 14 9.366 0.187 -1.346 95 HG22 VAL 14 1HG2 VAL 14 8.825 -1.478 -1.140 96 HG23 VAL 14 2HG2 VAL 14 8.895 -0.395 0.250 97 H ALA 15 H ALA 15 5.645 2.540 -1.176 98 HA ALA 15 HA ALA 15 3.091 1.730 -2.181 99 HB1 ALA 15 3HB ALA 15 2.852 4.401 -1.552 100 HB2 ALA 15 1HB ALA 15 4.310 3.953 -0.668 101 HB3 ALA 15 2HB ALA 15 2.799 3.093 -0.371 102 H SER 16 H SER 16 5.449 4.153 -3.312 103 HA SER 16 HA SER 16 3.879 5.319 -5.394 104 HG SER 16 HG SER 16 6.644 6.604 -3.812 105 HB2 SER 16 2HB SER 16 6.853 4.896 -4.985 106 HB3 SER 16 1HB SER 16 6.199 5.869 -6.300 107 H LYS 17 H LYS 17 6.064 2.486 -5.367 108 HA LYS 17 HA LYS 17 5.831 1.896 -8.180 109 HB2 LYS 17 2HB LYS 17 7.519 1.112 -6.345 110 HB3 LYS 17 1HB LYS 17 6.323 -0.137 -6.003 111 HG2 LYS 17 2HG LYS 17 7.631 -1.213 -7.603 112 HG3 LYS 17 1HG LYS 17 6.387 -0.488 -8.622 113 HD2 LYS 17 2HD LYS 17 7.930 1.520 -8.876 114 HD3 LYS 17 1HD LYS 17 9.186 0.546 -8.113 115 HE2 LYS 17 2HE LYS 17 7.727 -0.746 -10.370 116 HE3 LYS 17 1HE LYS 17 8.827 0.580 -10.794 117 HZ1 LYS 17 3HZ LYS 17 9.641 -1.535 -8.887 118 HZ2 LYS 17 1HZ LYS 17 10.625 -0.477 -9.779 119 HZ3 LYS 17 2HZ LYS 17 9.823 -1.755 -10.562 120 H ILE 18 H ILE 18 3.880 1.069 -5.338 121 HA ILE 18 HA ILE 18 2.297 -1.022 -6.479 122 HB ILE 18 HB ILE 18 2.048 0.977 -4.244 123 HG12 ILE 18 2HG1 ILE 18 3.421 -1.087 -4.003 124 HG13 ILE 18 1HG1 ILE 18 2.072 -1.047 -2.874 125 HG21 ILE 18 1HG2 ILE 18 -0.148 -0.811 -5.296 126 HG22 ILE 18 2HG2 ILE 18 -0.233 0.904 -4.894 127 HG23 ILE 18 3HG2 ILE 18 -0.098 -0.297 -3.609 128 HD11 ILE 18 3HD1 ILE 18 2.385 -2.706 -5.369 129 HD12 ILE 18 1HD1 ILE 18 0.782 -2.364 -4.718 130 HD13 ILE 18 2HD1 ILE 18 1.964 -3.231 -3.740 131 H VAL 19 H VAL 19 1.744 2.517 -6.276 132 HA VAL 19 HA VAL 19 -0.760 2.543 -7.673 133 HB VAL 19 HB VAL 19 1.456 4.547 -7.175 134 HG11 VAL 19 1HG1 VAL 19 -1.077 4.851 -8.776 135 HG12 VAL 19 2HG1 VAL 19 0.538 5.468 -9.128 136 HG13 VAL 19 3HG1 VAL 19 -0.437 6.219 -7.866 137 HG21 VAL 19 3HG2 VAL 19 0.035 3.775 -5.269 138 HG22 VAL 19 1HG2 VAL 19 -1.393 4.339 -6.139 139 HG23 VAL 19 2HG2 VAL 19 -0.170 5.495 -5.608 140 H GLY 20 H GLY 20 2.611 2.787 -8.805 141 HA2 GLY 20 2HA GLY 20 1.920 3.289 -11.575 142 HA3 GLY 20 1HA GLY 20 3.503 2.790 -10.981 143 H LEU 21 H LEU 21 2.267 0.378 -9.621 144 HA LEU 21 HA LEU 21 1.963 -1.296 -12.082 145 HG LEU 21 HG LEU 21 2.494 -3.669 -11.645 146 HB2 LEU 21 2HB LEU 21 3.932 -1.384 -10.294 147 HB3 LEU 21 1HB LEU 21 2.773 -2.380 -9.414 148 HD11 LEU 21 1HD1 LEU 21 4.278 -1.666 -12.491 149 HD12 LEU 21 2HD1 LEU 21 3.800 -3.104 -13.394 150 HD13 LEU 21 3HD1 LEU 21 5.249 -3.135 -12.389 151 HD21 LEU 21 3HD2 LEU 21 5.125 -3.800 -10.135 152 HD22 LEU 21 1HD2 LEU 21 4.427 -5.099 -11.102 153 HD23 LEU 21 2HD2 LEU 21 3.620 -4.568 -9.628 154 H TRP 22 H TRP 22 -0.309 0.024 -10.616 155 HA TRP 22 HA TRP 22 -1.636 -2.266 -9.284 156 HD1 TRP 22 HD1 TRP 22 -3.494 -2.794 -8.411 157 HE1 TRP 22 HE1 TRP 22 -5.917 -2.673 -7.546 158 HE3 TRP 22 HE3 TRP 22 -4.247 2.253 -8.617 159 HZ2 TRP 22 HZ2 TRP 22 -7.905 -0.694 -6.992 160 HZ3 TRP 22 HZ3 TRP 22 -6.412 3.227 -7.907 161 HH2 TRP 22 HH2 TRP 22 -8.239 1.762 -7.095 162 HB2 TRP 22 2HB TRP 22 -1.696 -0.008 -8.276 163 HB3 TRP 22 1HB TRP 22 -2.468 0.623 -9.730 164 H ARG 23 H ARG 23 -3.145 -3.485 -10.314 165 HA ARG 23 HA ARG 23 -3.926 -2.823 -13.103 166 HE ARG 23 HE ARG 23 -1.265 -5.962 -12.360 167 HB2 ARG 23 2HB ARG 23 -3.151 -5.125 -11.607 168 HB3 ARG 23 1HB ARG 23 -4.822 -5.383 -12.095 169 HG2 ARG 23 2HG ARG 23 -3.492 -6.233 -13.885 170 HG3 ARG 23 1HG ARG 23 -4.093 -4.673 -14.446 171 HD2 ARG 23 2HD ARG 23 -1.787 -4.577 -14.980 172 HD3 ARG 23 1HD ARG 23 -1.861 -3.732 -13.421 173 HH11 ARG 23 2HH1 ARG 23 0.992 -4.736 -14.047 174 HH12 ARG 23 1HH1 ARG 23 1.568 -6.138 -14.887 175 HH21 ARG 23 1HH2 ARG 23 -1.233 -8.056 -14.135 176 HH22 ARG 23 2HH2 ARG 23 0.301 -8.025 -14.938 177 H ASN 24 H ASN 24 -6.368 -3.970 -13.388 178 HA ASN 24 HA ASN 24 -8.319 -2.216 -12.505 179 HB2 ASN 24 2HB ASN 24 -8.198 -5.065 -13.332 180 HB3 ASN 24 1HB ASN 24 -9.680 -4.581 -12.510 181 HD21 ASN 24 1HD2 ASN 24 -8.551 -4.936 -15.558 182 HD22 ASN 24 2HD2 ASN 24 -9.378 -3.676 -16.341 183 H GLU 25 H GLU 25 -7.113 -5.060 -10.742 184 HA GLU 25 HA GLU 25 -7.824 -3.906 -8.152 185 HB2 GLU 25 2HB GLU 25 -9.472 -5.675 -7.594 186 HB3 GLU 25 1HB GLU 25 -10.006 -4.741 -8.991 187 HG2 GLU 25 2HG GLU 25 -9.255 -6.476 -10.512 188 HG3 GLU 25 1HG GLU 25 -8.514 -7.375 -9.189 189 H LYS 26 H LYS 26 -5.421 -4.929 -9.444 190 HA LYS 26 HA LYS 26 -4.629 -6.987 -7.449 191 HB2 LYS 26 2HB LYS 26 -5.594 -7.992 -9.596 192 HB3 LYS 26 1HB LYS 26 -4.193 -7.317 -10.425 193 HG2 LYS 26 2HG LYS 26 -2.691 -8.726 -9.325 194 HG3 LYS 26 1HG LYS 26 -3.787 -9.001 -7.971 195 HD2 LYS 26 2HD LYS 26 -5.150 -9.928 -10.266 196 HD3 LYS 26 1HD LYS 26 -3.498 -10.530 -10.408 197 HE2 LYS 26 2HE LYS 26 -4.828 -12.154 -9.142 198 HE3 LYS 26 1HE LYS 26 -3.675 -11.384 -8.038 199 HZ1 LYS 26 3HZ LYS 26 -5.292 -10.075 -7.099 200 HZ2 LYS 26 1HZ LYS 26 -6.192 -11.476 -7.421 201 HZ3 LYS 26 2HZ LYS 26 -6.309 -10.138 -8.461 202 H THR 27 H THR 27 -2.240 -7.233 -7.380 203 HA THR 27 HA THR 27 -0.589 -5.344 -8.923 204 HB THR 27 HB THR 27 -1.603 -4.019 -7.046 205 HG1 THR 27 HG1 THR 27 0.465 -3.509 -7.858 206 HG21 THR 27 3HG2 THR 27 -1.231 -4.541 -4.791 207 HG22 THR 27 1HG2 THR 27 0.121 -5.609 -5.163 208 HG23 THR 27 2HG2 THR 27 -1.530 -6.125 -5.504 209 H GLU 28 H GLU 28 1.659 -5.867 -8.757 210 HA GLU 28 HA GLU 28 2.186 -8.559 -7.559 211 HB2 GLU 28 2HB GLU 28 3.693 -6.963 -9.663 212 HB3 GLU 28 1HB GLU 28 3.981 -8.649 -9.233 213 HG2 GLU 28 2HG GLU 28 2.522 -9.168 -10.885 214 HG3 GLU 28 1HG GLU 28 1.260 -8.597 -9.795 215 H LEU 29 H LEU 29 3.095 -8.313 -5.519 216 HA LEU 29 HA LEU 29 5.004 -6.054 -5.078 217 HG LEU 29 HG LEU 29 3.054 -5.136 -4.354 218 HB2 LEU 29 2HB LEU 29 3.098 -7.652 -3.440 219 HB3 LEU 29 1HB LEU 29 4.544 -7.062 -2.625 220 HD11 LEU 29 1HD1 LEU 29 2.087 -6.218 -1.705 221 HD12 LEU 29 2HD1 LEU 29 1.171 -5.991 -3.195 222 HD13 LEU 29 3HD1 LEU 29 1.670 -4.592 -2.245 223 HD21 LEU 29 3HD2 LEU 29 5.080 -4.380 -3.285 224 HD22 LEU 29 1HD2 LEU 29 4.566 -5.029 -1.728 225 HD23 LEU 29 2HD2 LEU 29 3.733 -3.638 -2.423 226 H LEU 30 H LEU 30 7.150 -6.560 -5.062 227 HA LEU 30 HA LEU 30 9.150 -7.797 -4.935 228 HG LEU 30 HG LEU 30 10.404 -9.199 -3.412 229 HB2 LEU 30 2HB LEU 30 7.719 -8.051 -2.620 230 HB3 LEU 30 1HB LEU 30 7.931 -9.744 -3.065 231 HD11 LEU 30 1HD1 LEU 30 11.220 -7.134 -2.927 232 HD12 LEU 30 2HD1 LEU 30 10.181 -6.954 -1.514 233 HD13 LEU 30 3HD1 LEU 30 9.551 -6.601 -3.122 234 HD21 LEU 30 3HD2 LEU 30 9.940 -8.662 -0.558 235 HD22 LEU 30 1HD2 LEU 30 10.736 -10.035 -1.328 236 HD23 LEU 30 2HD2 LEU 30 8.979 -10.002 -1.184 237 H GLY 31 H GLY 31 7.179 -8.620 -6.983 238 HA2 GLY 31 2HA GLY 31 7.178 -10.315 -8.627 239 HA3 GLY 31 1HA GLY 31 8.337 -11.212 -7.651 240 H HIS 32 H HIS 32 5.680 -10.327 -5.736 241 HA HIS 32 HA HIS 32 4.545 -13.076 -5.984 242 HD1 HIS 32 HD1 HIS 32 5.983 -14.327 -4.777 243 HD2 HIS 32 HD2 HIS 32 6.711 -11.077 -2.271 244 HE1 HIS 32 HE1 HIS 32 8.262 -14.716 -3.744 245 HB2 HIS 32 2HB HIS 32 4.421 -10.976 -3.794 246 HB3 HIS 32 1HB HIS 32 3.756 -12.599 -3.680 247 H GLU 33 H GLU 33 2.155 -13.244 -5.791 248 HA GLU 33 HA GLU 33 0.799 -11.104 -7.304 249 HB2 GLU 33 2HB GLU 33 0.489 -13.493 -7.842 250 HB3 GLU 33 1HB GLU 33 -0.119 -13.789 -6.214 251 HG2 GLU 33 2HG GLU 33 -2.004 -13.562 -7.750 252 HG3 GLU 33 1HG GLU 33 -1.977 -12.180 -6.654 253 H CYS 34 H CYS 34 -0.340 -9.499 -6.306 254 HA CYS 34 HA CYS 34 -1.403 -9.997 -3.554 255 HB2 CYS 34 2HB CYS 34 0.077 -7.602 -4.672 256 HB3 CYS 34 1HB CYS 34 -0.751 -7.591 -3.117 257 H LYS 35 H LYS 35 -3.153 -8.346 -3.002 258 HA LYS 35 HA LYS 35 -4.722 -7.633 -5.455 259 HB2 LYS 35 2HB LYS 35 -5.464 -9.619 -4.064 260 HB3 LYS 35 1HB LYS 35 -5.793 -8.482 -2.757 261 HG2 LYS 35 2HG LYS 35 -7.591 -7.528 -3.847 262 HG3 LYS 35 1HG LYS 35 -6.935 -7.866 -5.448 263 HD2 LYS 35 2HD LYS 35 -7.308 -10.401 -4.485 264 HD3 LYS 35 1HD LYS 35 -8.648 -9.545 -3.723 265 HE2 LYS 35 2HE LYS 35 -8.157 -9.010 -6.629 266 HE3 LYS 35 1HE LYS 35 -8.898 -10.560 -6.185 267 HZ1 LYS 35 3HZ LYS 35 -9.828 -7.987 -5.043 268 HZ2 LYS 35 1HZ LYS 35 -10.626 -9.485 -5.044 269 HZ3 LYS 35 2HZ LYS 35 -10.467 -8.606 -6.493 270 H PHE 36 H PHE 36 -4.794 -5.446 -5.624 271 HA PHE 36 HA PHE 36 -5.071 -3.787 -3.138 272 HD1 PHE 36 HD2 PHE 36 -5.471 -1.782 -2.957 273 HD2 PHE 36 HD1 PHE 36 -2.503 -1.055 -5.979 274 HE1 PHE 36 HE2 PHE 36 -5.589 0.645 -2.494 275 HE2 PHE 36 HE1 PHE 36 -2.622 1.373 -5.508 276 HZ PHE 36 HZ PHE 36 -4.163 2.223 -3.766 277 HB2 PHE 36 2HB PHE 36 -2.979 -3.467 -4.401 278 HB3 PHE 36 1HB PHE 36 -3.887 -3.211 -5.883 279 H THR 37 H THR 37 -7.153 -2.920 -2.973 280 HA THR 37 HA THR 37 -8.592 -2.253 -5.511 281 HB THR 37 HB THR 37 -10.626 -3.288 -4.202 282 HG1 THR 37 HG1 THR 37 -10.062 -4.795 -2.723 283 HG21 THR 37 3HG2 THR 37 -8.585 -5.263 -5.194 284 HG22 THR 37 1HG2 THR 37 -9.347 -4.123 -6.302 285 HG23 THR 37 2HG2 THR 37 -10.336 -5.279 -5.410 286 H VAL 38 H VAL 38 -10.365 -0.752 -5.238 287 HA VAL 38 HA VAL 38 -10.336 0.805 -2.683 288 HB VAL 38 HB VAL 38 -9.015 1.805 -4.602 289 HG11 VAL 38 1HG1 VAL 38 -10.247 2.743 -6.489 290 HG12 VAL 38 2HG1 VAL 38 -11.769 2.144 -5.832 291 HG13 VAL 38 3HG1 VAL 38 -10.548 1.008 -6.405 292 HG21 VAL 38 3HG2 VAL 38 -9.791 4.019 -4.190 293 HG22 VAL 38 1HG2 VAL 38 -10.186 3.113 -2.730 294 HG23 VAL 38 2HG2 VAL 38 -11.444 3.470 -3.913 295 H LYS 39 H LYS 39 -12.402 1.639 -2.057 296 HA LYS 39 HA LYS 39 -14.720 1.217 -3.855 297 HB2 LYS 39 2HB LYS 39 -13.903 -0.798 -2.184 298 HB3 LYS 39 1HB LYS 39 -15.060 0.050 -1.158 299 HG2 LYS 39 2HG LYS 39 -16.530 -1.334 -2.264 300 HG3 LYS 39 1HG LYS 39 -16.504 0.000 -3.417 301 HD2 LYS 39 2HD LYS 39 -14.281 -1.622 -4.061 302 HD3 LYS 39 1HD LYS 39 -15.625 -2.730 -3.786 303 HE2 LYS 39 2HE LYS 39 -16.162 -0.279 -5.428 304 HE3 LYS 39 1HE LYS 39 -15.264 -1.612 -6.180 305 HZ1 LYS 39 3HZ LYS 39 -17.839 -1.900 -4.716 306 HZ2 LYS 39 1HZ LYS 39 -16.982 -3.148 -5.481 307 HZ3 LYS 39 2HZ LYS 39 -17.676 -1.904 -6.407 308 HA PRO 40 HA PRO 40 -15.494 4.900 -1.358 309 HB2 PRO 40 2HB PRO 40 -17.198 6.079 -3.133 310 HB3 PRO 40 1HB PRO 40 -15.434 6.140 -3.312 311 HG2 PRO 40 2HG PRO 40 -17.424 4.485 -4.750 312 HG3 PRO 40 1HG PRO 40 -15.892 5.159 -5.319 313 HD2 PRO 40 2HD PRO 40 -16.315 2.519 -4.558 314 HD3 PRO 40 1HD PRO 40 -14.732 3.313 -4.701 315 H TYR 41 H TYR 41 -17.445 5.694 -0.267 316 HA TYR 41 HA TYR 41 -19.817 3.868 -0.459 317 HD1 TYR 41 HD1 TYR 41 -18.931 1.854 0.323 318 HD2 TYR 41 HD2 TYR 41 -16.726 4.489 2.901 319 HE1 TYR 41 HE1 TYR 41 -17.115 0.174 0.486 320 HE2 TYR 41 HE2 TYR 41 -14.912 2.810 3.064 321 HH TYR 41 HH TYR 41 -14.746 0.074 1.002 322 HB2 TYR 41 2HB TYR 41 -18.772 5.192 2.051 323 HB3 TYR 41 1HB TYR 41 -19.953 3.897 1.933 324 H LEU 42 H LEU 42 -21.643 5.078 0.975 325 HA LEU 42 HA LEU 42 -21.642 7.992 0.366 326 HG LEU 42 HG LEU 42 -22.947 9.024 -0.807 327 HB2 LEU 42 2HB LEU 42 -22.675 6.302 -1.419 328 HB3 LEU 42 1HB LEU 42 -24.058 6.377 -0.327 329 HD11 LEU 42 1HD1 LEU 42 -23.808 9.127 -3.191 330 HD12 LEU 42 2HD1 LEU 42 -23.827 7.364 -3.181 331 HD13 LEU 42 3HD1 LEU 42 -22.304 8.231 -2.982 332 HD21 LEU 42 3HD2 LEU 42 -25.301 9.518 -1.303 333 HD22 LEU 42 1HD2 LEU 42 -25.191 8.503 0.136 334 HD23 LEU 42 2HD2 LEU 42 -25.657 7.793 -1.409 335 H LYS 43 H LYS 43 -22.860 9.181 1.802 336 HA LYS 43 HA LYS 43 -24.263 7.705 4.003 337 HB2 LYS 43 2HB LYS 43 -22.004 9.163 4.197 338 HB3 LYS 43 1HB LYS 43 -23.178 10.471 4.333 339 HG2 LYS 43 2HG LYS 43 -23.016 9.867 6.560 340 HG3 LYS 43 1HG LYS 43 -24.321 8.793 6.060 341 HD2 LYS 43 2HD LYS 43 -22.109 7.306 5.404 342 HD3 LYS 43 1HD LYS 43 -21.555 8.145 6.854 343 HE2 LYS 43 2HE LYS 43 -24.277 6.846 6.844 344 HE3 LYS 43 1HE LYS 43 -22.828 5.866 7.138 345 HZ1 LYS 43 3HZ LYS 43 -23.783 6.866 9.188 346 HZ2 LYS 43 1HZ LYS 43 -23.438 8.404 8.565 347 HZ3 LYS 43 2HZ LYS 43 -22.172 7.322 8.901 348 H ARG 44 H ARG 44 -25.843 9.397 5.125 349 HA ARG 44 HA ARG 44 -28.065 9.933 3.602 350 HE ARG 44 HE ARG 44 -30.582 11.142 6.764 351 HB2 ARG 44 2HB ARG 44 -26.834 11.347 5.963 352 HB3 ARG 44 1HB ARG 44 -28.397 11.854 5.324 353 HG2 ARG 44 2HG ARG 44 -27.769 8.999 6.127 354 HG3 ARG 44 1HG ARG 44 -28.536 10.165 7.204 355 HD2 ARG 44 2HD ARG 44 -29.655 9.468 4.465 356 HD3 ARG 44 1HD ARG 44 -30.173 8.673 5.964 357 HH11 ARG 44 1HH2 ARG 44 -29.971 12.148 3.939 358 HH12 ARG 44 2HH2 ARG 44 -31.568 12.343 3.303 359 HH21 ARG 44 2HH1 ARG 44 -33.072 10.430 5.786 360 HH22 ARG 44 1HH1 ARG 44 -33.333 11.368 4.353 361 H PHE 45 H PHE 45 -25.221 12.064 3.863 362 HA PHE 45 HA PHE 45 -26.011 13.417 1.368 363 HD1 PHE 45 HD2 PHE 45 -26.084 15.930 0.593 364 HD2 PHE 45 HD1 PHE 45 -28.849 14.756 3.664 365 HE1 PHE 45 HE2 PHE 45 -27.966 16.804 -0.766 366 HE2 PHE 45 HE1 PHE 45 -30.730 15.629 2.305 367 HZ PHE 45 HZ PHE 45 -30.289 16.652 0.089 368 HB2 PHE 45 2HB PHE 45 -26.566 14.450 4.016 369 HB3 PHE 45 1HB PHE 45 -25.457 15.529 3.172 370 H GLN 46 H GLN 46 -23.711 11.766 2.100 371 HA GLN 46 HA GLN 46 -21.561 13.674 1.401 372 HB2 GLN 46 2HB GLN 46 -22.042 12.580 4.089 373 HB3 GLN 46 1HB GLN 46 -20.396 12.330 3.514 374 HG2 GLN 46 2HG GLN 46 -20.392 14.803 2.866 375 HG3 GLN 46 1HG GLN 46 -21.875 14.951 3.808 376 HE21 GLN 46 1HE2 GLN 46 -21.523 15.511 5.963 377 HE22 GLN 46 2HE2 GLN 46 -20.108 15.175 6.838 378 H VAL 47 H VAL 47 -20.035 12.661 0.135 379 HA VAL 47 HA VAL 47 -20.259 9.710 -0.240 380 HB VAL 47 HB VAL 47 -18.875 11.914 -1.814 381 HG11 VAL 47 1HG1 VAL 47 -17.714 9.869 -2.261 382 HG12 VAL 47 2HG1 VAL 47 -18.838 10.089 -3.603 383 HG13 VAL 47 3HG1 VAL 47 -19.219 8.949 -2.313 384 HG21 VAL 47 3HG2 VAL 47 -20.721 11.534 -3.430 385 HG22 VAL 47 1HG2 VAL 47 -21.336 12.066 -1.865 386 HG23 VAL 47 2HG2 VAL 47 -21.439 10.365 -2.322 387 H TYR 48 H TYR 48 -18.726 8.425 0.720 388 HA TYR 48 HA TYR 48 -16.215 9.712 1.715 389 HD1 TYR 48 HD2 TYR 48 -15.568 9.450 4.507 390 HD2 TYR 48 HD1 TYR 48 -19.657 8.860 3.320 391 HE1 TYR 48 HE2 TYR 48 -16.305 11.078 6.225 392 HE2 TYR 48 HE1 TYR 48 -20.390 10.488 5.037 393 HH TYR 48 HH TYR 48 -18.830 12.664 6.288 394 HB2 TYR 48 2HB TYR 48 -17.915 7.362 2.542 395 HB3 TYR 48 1HB TYR 48 -16.254 7.513 3.115 396 H TYR 49 H TYR 49 -14.217 8.389 1.566 397 HA TYR 49 HA TYR 49 -14.250 6.456 -0.725 398 HD1 TYR 49 HD2 TYR 49 -14.962 9.119 -2.040 399 HD2 TYR 49 HD1 TYR 49 -11.379 6.866 -2.778 400 HE1 TYR 49 HE2 TYR 49 -15.507 9.042 -4.457 401 HE2 TYR 49 HE1 TYR 49 -11.921 6.792 -5.196 402 HH TYR 49 HH TYR 49 -14.854 7.343 -6.436 403 HB2 TYR 49 2HB TYR 49 -12.985 9.038 -0.400 404 HB3 TYR 49 1HB TYR 49 -11.761 7.792 -0.640 405 H LYS 50 H LYS 50 -12.923 4.640 -0.468 406 HA LYS 50 HA LYS 50 -10.995 4.513 1.774 407 HB2 LYS 50 2HB LYS 50 -13.079 3.983 2.872 408 HB3 LYS 50 1HB LYS 50 -13.548 2.896 1.565 409 HG2 LYS 50 2HG LYS 50 -12.131 1.214 2.259 410 HG3 LYS 50 1HG LYS 50 -10.971 2.338 2.966 411 HD2 LYS 50 2HD LYS 50 -12.864 2.850 4.681 412 HD3 LYS 50 1HD LYS 50 -13.559 1.327 4.124 413 HE2 LYS 50 2HE LYS 50 -11.457 0.150 4.673 414 HE3 LYS 50 1HE LYS 50 -10.747 1.678 5.227 415 HZ1 LYS 50 3HZ LYS 50 -13.278 0.538 6.289 416 HZ2 LYS 50 1HZ LYS 50 -12.447 1.896 6.876 417 HZ3 LYS 50 2HZ LYS 50 -11.766 0.348 7.037 418 H GLY 51 H GLY 51 -9.510 2.745 1.518 419 HA2 GLY 51 2HA GLY 51 -9.925 0.912 -0.759 420 HA3 GLY 51 1HA GLY 51 -8.522 1.973 -0.850 421 H ARG 52 H ARG 52 -8.621 -0.974 -0.629 422 HA ARG 52 HA ARG 52 -6.849 -1.240 1.754 423 HE ARG 52 HE ARG 52 -9.218 -5.949 2.882 424 HB2 ARG 52 2HB ARG 52 -9.081 -1.924 2.463 425 HB3 ARG 52 1HB ARG 52 -9.247 -2.960 1.044 426 HG2 ARG 52 2HG ARG 52 -7.822 -4.574 1.878 427 HG3 ARG 52 1HG ARG 52 -6.884 -3.413 2.816 428 HD2 ARG 52 2HD ARG 52 -8.039 -4.376 4.568 429 HD3 ARG 52 1HD ARG 52 -9.282 -3.205 4.085 430 HH11 ARG 52 1HH2 ARG 52 -11.174 -3.503 2.427 431 HH12 ARG 52 2HH2 ARG 52 -12.580 -4.119 3.229 432 HH21 ARG 52 2HH1 ARG 52 -10.866 -6.686 4.827 433 HH22 ARG 52 1HH1 ARG 52 -12.407 -5.931 4.589 434 H MET 53 H MET 53 -5.176 -2.771 1.428 435 HA MET 53 HA MET 53 -5.273 -4.440 -1.029 436 HB2 MET 53 2HB MET 53 -3.261 -3.522 -1.904 437 HB3 MET 53 1HB MET 53 -4.230 -2.138 -1.423 438 HG2 MET 53 2HG MET 53 -2.379 -1.470 -0.295 439 HG3 MET 53 1HG MET 53 -2.830 -2.694 0.890 440 HE1 MET 53 3HE MET 53 -0.472 -3.006 -2.810 441 HE2 MET 53 1HE MET 53 0.510 -2.050 -1.693 442 HE3 MET 53 2HE MET 53 -1.156 -1.584 -2.028 443 H TRP 54 H TRP 54 -4.003 -6.294 -0.911 444 HA TRP 54 HA TRP 54 -2.209 -6.749 1.396 445 HD1 TRP 54 HD1 TRP 54 -4.300 -10.438 0.259 446 HE1 TRP 54 HE1 TRP 54 -6.467 -10.667 -1.117 447 HE3 TRP 54 HE3 TRP 54 -6.381 -5.850 1.109 448 HZ2 TRP 54 HZ2 TRP 54 -8.775 -9.108 -1.777 449 HZ3 TRP 54 HZ3 TRP 54 -8.558 -5.247 0.092 450 HH2 TRP 54 HH2 TRP 54 -9.757 -6.870 -1.349 451 HB2 TRP 54 2HB TRP 54 -3.561 -8.712 2.138 452 HB3 TRP 54 1HB TRP 54 -4.461 -7.204 2.278 453 H CYS 55 H CYS 55 -1.853 -9.468 1.202 454 HA CYS 55 HA CYS 55 -1.331 -9.983 -1.691 455 HB2 CYS 55 2HB CYS 55 0.524 -10.108 0.677 456 HB3 CYS 55 1HB CYS 55 0.888 -10.953 -0.824 457 HA PRO 56 HA PRO 56 -3.374 -13.669 0.090 458 HB2 PRO 56 2HB PRO 56 -4.699 -14.340 -2.212 459 HB3 PRO 56 1HB PRO 56 -5.325 -13.153 -1.051 460 HG2 PRO 56 2HG PRO 56 -3.928 -12.711 -3.640 461 HG3 PRO 56 1HG PRO 56 -5.276 -11.821 -2.918 462 HD2 PRO 56 2HD PRO 56 -2.693 -10.944 -2.883 463 HD3 PRO 56 1HD PRO 56 -3.899 -10.497 -1.668 464 H GLY 57 H GLY 57 -1.080 -14.465 0.056 465 HA2 GLY 57 2HA GLY 57 -0.529 -16.839 -1.073 466 HA3 GLY 57 1HA GLY 57 -0.176 -15.772 -2.431 467 H TRP 58 H TRP 58 0.960 -13.592 -1.062 468 HA TRP 58 HA TRP 58 3.656 -14.563 -0.598 469 HD1 TRP 58 HD1 TRP 58 5.607 -13.894 -0.304 470 HE1 TRP 58 HE1 TRP 58 7.582 -12.414 0.436 471 HE3 TRP 58 HE3 TRP 58 3.247 -9.377 0.045 472 HZ2 TRP 58 HZ2 TRP 58 8.096 -9.679 1.089 473 HZ3 TRP 58 HZ3 TRP 58 4.505 -7.353 0.726 474 HH2 TRP 58 HH2 TRP 58 6.924 -7.500 1.249 475 HB2 TRP 58 2HB TRP 58 3.017 -12.392 -1.660 476 HB3 TRP 58 1HB TRP 58 2.392 -11.846 -0.111 477 H THR 59 H THR 59 1.286 -12.890 1.513 478 HA THR 59 HA THR 59 2.241 -14.430 3.842 479 HB THR 59 HB THR 59 3.819 -12.552 3.631 480 HG1 THR 59 HG1 THR 59 3.594 -12.778 5.713 481 HG21 THR 59 3HG2 THR 59 2.203 -10.311 4.240 482 HG22 THR 59 1HG2 THR 59 1.421 -11.133 2.889 483 HG23 THR 59 2HG2 THR 59 3.100 -10.614 2.752 484 H ALA 60 H ALA 60 1.010 -13.027 5.848 485 HA ALA 60 HA ALA 60 -1.861 -12.917 4.987 486 HB1 ALA 60 3HB ALA 60 -0.566 -13.828 7.579 487 HB2 ALA 60 1HB ALA 60 -1.273 -14.875 6.348 488 HB3 ALA 60 2HB ALA 60 -2.304 -13.792 7.283 489 H ILE 61 H ILE 61 -0.296 -10.565 4.882 490 HA ILE 61 HA ILE 61 -1.232 -9.029 7.285 491 HB ILE 61 HB ILE 61 1.155 -8.733 5.432 492 HG12 ILE 61 2HG1 ILE 61 1.112 -8.948 8.448 493 HG13 ILE 61 1HG1 ILE 61 1.114 -10.383 7.423 494 HG21 ILE 61 1HG2 ILE 61 1.751 -6.770 6.894 495 HG22 ILE 61 2HG2 ILE 61 0.133 -6.860 7.588 496 HG23 ILE 61 3HG2 ILE 61 0.338 -6.494 5.876 497 HD11 ILE 61 3HD1 ILE 61 3.403 -10.013 7.824 498 HD12 ILE 61 1HD1 ILE 61 3.236 -8.261 7.695 499 HD13 ILE 61 2HD1 ILE 61 3.147 -9.265 6.247 500 H ARG 62 H ARG 62 -2.053 -6.841 6.803 501 HA ARG 62 HA ARG 62 -2.684 -6.284 3.954 502 HE ARG 62 HE ARG 62 -5.732 -9.141 8.232 503 HB2 ARG 62 2HB ARG 62 -5.093 -5.832 4.822 504 HB3 ARG 62 1HB ARG 62 -4.603 -7.499 4.550 505 HG2 ARG 62 2HG ARG 62 -3.964 -7.592 7.014 506 HG3 ARG 62 1HG ARG 62 -4.757 -6.026 7.194 507 HD2 ARG 62 2HD ARG 62 -6.739 -7.100 7.405 508 HD3 ARG 62 1HD ARG 62 -6.551 -7.720 5.753 509 HH11 ARG 62 2HH1 ARG 62 -7.548 -10.165 5.971 510 HH12 ARG 62 1HH1 ARG 62 -6.493 -11.300 5.199 511 HH21 ARG 62 1HH2 ARG 62 -3.625 -10.066 6.726 512 HH22 ARG 62 2HH2 ARG 62 -4.259 -11.236 5.619 513 H GLY 63 H GLY 63 -3.661 -4.101 3.691 514 HA2 GLY 63 2HA GLY 63 -3.276 -2.196 5.910 515 HA3 GLY 63 1HA GLY 63 -2.233 -1.961 4.511 516 H GLU 64 H GLU 64 -4.909 -0.745 5.795 517 HA GLU 64 HA GLU 64 -6.019 0.026 3.149 518 HB2 GLU 64 2HB GLU 64 -8.292 -0.494 3.975 519 HB3 GLU 64 1HB GLU 64 -7.278 -1.931 3.965 520 HG2 GLU 64 2HG GLU 64 -7.645 -2.216 6.164 521 HG3 GLU 64 1HG GLU 64 -6.949 -0.629 6.494 522 H ALA 65 H ALA 65 -7.396 1.967 3.302 523 HA ALA 65 HA ALA 65 -7.300 3.487 5.848 524 HB1 ALA 65 3HB ALA 65 -5.198 4.114 5.003 525 HB2 ALA 65 1HB ALA 65 -6.247 5.401 4.405 526 HB3 ALA 65 2HB ALA 65 -5.762 4.089 3.332 527 H SER 66 H SER 66 -8.561 5.543 5.667 528 HA SER 66 HA SER 66 -10.452 5.651 3.358 529 HG SER 66 HG SER 66 -10.608 4.078 6.490 530 HB2 SER 66 2HB SER 66 -11.499 6.003 6.139 531 HB3 SER 66 1HB SER 66 -12.327 5.405 4.708 532 H THR 67 H THR 67 -11.080 7.760 2.843 533 HA THR 67 HA THR 67 -10.899 10.003 4.669 534 HB THR 67 HB THR 67 -8.493 9.481 4.328 535 HG1 THR 67 HG1 THR 67 -7.909 11.561 3.778 536 HG21 THR 67 3HG2 THR 67 -8.500 8.464 2.158 537 HG22 THR 67 1HG2 THR 67 -7.554 9.944 2.016 538 HG23 THR 67 2HG2 THR 67 -9.212 9.897 1.418 539 H ARG 68 H ARG 68 -11.154 12.133 3.392 540 HA ARG 68 HA ARG 68 -13.295 11.908 1.488 541 HE ARG 68 HE ARG 68 -10.706 16.793 0.280 542 HB2 ARG 68 2HB ARG 68 -13.118 14.314 1.418 543 HB3 ARG 68 1HB ARG 68 -12.750 13.815 3.063 544 HG2 ARG 68 2HG ARG 68 -10.376 14.075 2.684 545 HG3 ARG 68 1HG ARG 68 -10.634 14.354 0.962 546 HD2 ARG 68 2HD ARG 68 -12.075 16.162 2.862 547 HD3 ARG 68 1HD ARG 68 -10.329 16.407 2.651 548 HH11 ARG 68 2HH1 ARG 68 -12.762 18.615 1.478 549 HH12 ARG 68 1HH1 ARG 68 -14.186 18.199 0.585 550 HH21 ARG 68 1HH2 ARG 68 -12.882 15.201 -0.604 551 HH22 ARG 68 2HH2 ARG 68 -14.256 16.257 -0.595 552 H SER 69 H SER 69 -9.807 12.345 1.131 553 HA SER 69 HA SER 69 -9.646 13.013 -1.624 554 HG SER 69 HG SER 69 -6.887 13.114 0.751 555 HB2 SER 69 2HB SER 69 -7.729 11.197 -0.158 556 HB3 SER 69 1HB SER 69 -7.360 12.396 -1.391 557 H GLN 70 H GLN 70 -9.259 11.674 -3.473 558 HA GLN 70 HA GLN 70 -10.525 8.984 -3.316 559 HB2 GLN 70 2HB GLN 70 -9.892 10.873 -5.609 560 HB3 GLN 70 1HB GLN 70 -10.705 9.319 -5.796 561 HG2 GLN 70 2HG GLN 70 -12.548 10.061 -4.385 562 HG3 GLN 70 1HG GLN 70 -11.717 11.578 -4.041 563 HE21 GLN 70 1HE2 GLN 70 -13.192 9.706 -6.733 564 HE22 GLN 70 2HE2 GLN 70 -13.503 11.063 -7.703 565 H SER 71 H SER 71 -7.829 10.491 -5.158 566 HA SER 71 HA SER 71 -6.509 7.943 -5.614 567 HG SER 71 HG SER 71 -4.644 9.591 -7.891 568 HB2 SER 71 2HB SER 71 -6.488 10.441 -6.738 569 HB3 SER 71 1HB SER 71 -4.975 10.466 -5.837 570 H GLY 72 H GLY 72 -6.237 10.513 -3.203 571 HA2 GLY 72 2HA GLY 72 -3.678 9.847 -2.136 572 HA3 GLY 72 1HA GLY 72 -4.960 10.667 -1.246 573 H VAL 73 H VAL 73 -6.926 8.556 -1.404 574 HA VAL 73 HA VAL 73 -6.170 6.979 0.863 575 HB VAL 73 HB VAL 73 -8.487 7.665 -0.268 576 HG11 VAL 73 1HG1 VAL 73 -8.037 6.209 -2.280 577 HG12 VAL 73 2HG1 VAL 73 -9.553 5.852 -1.455 578 HG13 VAL 73 3HG1 VAL 73 -8.152 4.807 -1.217 579 HG21 VAL 73 3HG2 VAL 73 -9.575 5.987 1.136 580 HG22 VAL 73 1HG2 VAL 73 -8.143 6.604 1.960 581 HG23 VAL 73 2HG2 VAL 73 -8.098 5.025 1.173 582 H ALA 74 H ALA 74 -6.036 6.312 -2.624 583 HA ALA 74 HA ALA 74 -5.441 3.504 -2.456 584 HB1 ALA 74 3HB ALA 74 -4.995 5.718 -4.459 585 HB2 ALA 74 1HB ALA 74 -6.113 4.357 -4.556 586 HB3 ALA 74 2HB ALA 74 -4.382 4.093 -4.770 587 H GLY 75 H GLY 75 -3.331 6.389 -2.650 588 HA2 GLY 75 2HA GLY 75 -0.849 4.977 -2.571 589 HA3 GLY 75 1HA GLY 75 -1.067 6.662 -2.098 590 H LYS 76 H LYS 76 -3.011 6.176 -0.029 591 HA LYS 76 HA LYS 76 -1.274 5.564 2.191 592 HB2 LYS 76 2HB LYS 76 -3.624 6.921 1.772 593 HB3 LYS 76 1HB LYS 76 -4.202 5.465 2.583 594 HG2 LYS 76 2HG LYS 76 -2.157 5.961 4.201 595 HG3 LYS 76 1HG LYS 76 -2.376 7.606 3.604 596 HD2 LYS 76 2HD LYS 76 -4.953 6.968 4.117 597 HD3 LYS 76 1HD LYS 76 -4.153 5.964 5.327 598 HE2 LYS 76 2HE LYS 76 -2.774 8.216 5.764 599 HE3 LYS 76 1HE LYS 76 -4.258 8.948 5.117 600 HZ1 LYS 76 3HZ LYS 76 -5.490 7.392 6.645 601 HZ2 LYS 76 1HZ LYS 76 -4.640 8.642 7.414 602 HZ3 LYS 76 2HZ LYS 76 -4.002 7.067 7.399 603 H THR 77 H THR 77 -3.846 3.770 0.479 604 HA THR 77 HA THR 77 -4.076 1.521 2.185 605 HB THR 77 HB THR 77 -4.272 1.924 -0.815 606 HG1 THR 77 HG1 THR 77 -5.944 2.897 0.102 607 HG21 THR 77 3HG2 THR 77 -3.930 -0.382 -0.744 608 HG22 THR 77 1HG2 THR 77 -5.683 -0.269 -0.598 609 HG23 THR 77 2HG2 THR 77 -4.695 -0.547 0.835 610 H ALA 78 H ALA 78 -1.808 2.141 -0.502 611 HA ALA 78 HA ALA 78 -0.395 -0.369 -0.242 612 HB1 ALA 78 3HB ALA 78 -0.548 1.298 -2.211 613 HB2 ALA 78 1HB ALA 78 1.035 0.590 -1.892 614 HB3 ALA 78 2HB ALA 78 0.679 2.230 -1.353 615 H LYS 79 H LYS 79 0.109 2.910 1.052 616 HA LYS 79 HA LYS 79 2.662 2.399 2.292 617 HB2 LYS 79 2HB LYS 79 1.397 4.602 1.713 618 HB3 LYS 79 1HB LYS 79 0.582 4.363 3.259 619 HG2 LYS 79 2HG LYS 79 3.510 4.031 3.380 620 HG3 LYS 79 1HG LYS 79 2.988 5.660 2.951 621 HD2 LYS 79 2HD LYS 79 1.517 4.359 5.185 622 HD3 LYS 79 1HD LYS 79 3.190 4.815 5.512 623 HE2 LYS 79 2HE LYS 79 2.620 7.123 4.567 624 HE3 LYS 79 1HE LYS 79 0.920 6.622 4.634 625 HZ1 LYS 79 3HZ LYS 79 1.207 6.066 6.971 626 HZ2 LYS 79 1HZ LYS 79 1.591 7.698 6.704 627 HZ3 LYS 79 2HZ LYS 79 2.833 6.556 6.914 628 H ASP 80 H ASP 80 -0.710 2.162 3.441 629 HA ASP 80 HA ASP 80 -0.074 1.563 6.184 630 HB2 ASP 80 2HB ASP 80 -2.448 1.262 4.355 631 HB3 ASP 80 1HB ASP 80 -2.497 0.534 5.959 632 H PHE 81 H PHE 81 -0.336 -0.449 3.279 633 HA PHE 81 HA PHE 81 -0.218 -2.956 4.804 634 HD1 PHE 81 HD2 PHE 81 -0.958 -5.301 3.720 635 HD2 PHE 81 HD1 PHE 81 1.662 -3.466 0.855 636 HE1 PHE 81 HE2 PHE 81 0.016 -7.518 3.190 637 HE2 PHE 81 HE1 PHE 81 2.635 -5.684 0.325 638 HZ PHE 81 HZ PHE 81 1.813 -7.710 1.493 639 HB2 PHE 81 2HB PHE 81 -1.377 -2.961 2.694 640 HB3 PHE 81 1HB PHE 81 -0.024 -2.179 1.877 641 H VAL 82 H VAL 82 2.013 -0.854 3.011 642 HA VAL 82 HA VAL 82 4.305 -2.593 3.125 643 HB VAL 82 HB VAL 82 3.884 0.386 2.775 644 HG11 VAL 82 1HG1 VAL 82 6.095 0.303 3.606 645 HG12 VAL 82 2HG1 VAL 82 6.305 0.247 1.855 646 HG13 VAL 82 3HG1 VAL 82 6.433 -1.233 2.807 647 HG21 VAL 82 3HG2 VAL 82 3.172 -1.413 1.040 648 HG22 VAL 82 1HG2 VAL 82 4.900 -1.618 0.761 649 HG23 VAL 82 2HG2 VAL 82 4.139 -0.054 0.467 650 H ARG 83 H ARG 83 3.082 -0.020 5.300 651 HA ARG 83 HA ARG 83 5.383 -0.036 7.052 652 HE ARG 83 HE ARG 83 0.824 1.246 10.316 653 HB2 ARG 83 2HB ARG 83 3.965 1.297 8.484 654 HB3 ARG 83 1HB ARG 83 3.595 1.742 6.823 655 HG2 ARG 83 2HG ARG 83 1.629 0.264 6.857 656 HG3 ARG 83 1HG ARG 83 1.997 -0.198 8.518 657 HD2 ARG 83 2HD ARG 83 1.750 2.727 7.901 658 HD3 ARG 83 1HD ARG 83 0.266 1.763 8.024 659 HH11 ARG 83 2HH1 ARG 83 1.521 4.232 10.088 660 HH12 ARG 83 1HH1 ARG 83 3.041 4.275 10.918 661 HH21 ARG 83 1HH2 ARG 83 3.498 0.826 10.791 662 HH22 ARG 83 2HH2 ARG 83 4.166 2.336 11.321 663 H LYS 84 H LYS 84 2.309 -1.824 7.032 664 HA LYS 84 HA LYS 84 2.678 -3.178 9.552 665 HB2 LYS 84 2HB LYS 84 0.823 -3.080 7.363 666 HB3 LYS 84 1HB LYS 84 1.214 -4.771 7.666 667 HG2 LYS 84 2HG LYS 84 -0.490 -4.502 9.201 668 HG3 LYS 84 1HG LYS 84 0.878 -4.019 10.204 669 HD2 LYS 84 2HD LYS 84 0.140 -1.888 10.351 670 HD3 LYS 84 1HD LYS 84 -0.154 -1.794 8.615 671 HE2 LYS 84 2HE LYS 84 -2.358 -2.578 8.809 672 HE3 LYS 84 1HE LYS 84 -2.038 -3.375 10.362 673 HZ1 LYS 84 3HZ LYS 84 -1.962 -0.434 9.908 674 HZ2 LYS 84 1HZ LYS 84 -1.723 -1.225 11.390 675 HZ3 LYS 84 2HZ LYS 84 -3.248 -1.268 10.643 676 H ALA 85 H ALA 85 3.553 -3.986 6.189 677 HA ALA 85 HA ALA 85 4.654 -6.599 6.779 678 HB1 ALA 85 3HB ALA 85 5.398 -4.738 4.509 679 HB2 ALA 85 1HB ALA 85 3.850 -5.584 4.552 680 HB3 ALA 85 2HB ALA 85 5.357 -6.501 4.491 681 H PHE 86 H PHE 86 5.928 -3.296 6.741 682 HA PHE 86 HA PHE 86 8.728 -3.925 6.888 683 HD1 PHE 86 HD2 PHE 86 10.595 -2.474 7.609 684 HD2 PHE 86 HD1 PHE 86 7.741 -0.477 5.096 685 HE1 PHE 86 HE2 PHE 86 12.430 -1.725 6.119 686 HE2 PHE 86 HE1 PHE 86 9.576 0.272 3.606 687 HZ PHE 86 HZ PHE 86 11.922 -0.353 4.118 688 HB2 PHE 86 2HB PHE 86 6.982 -1.650 6.952 689 HB3 PHE 86 1HB PHE 86 8.064 -1.531 8.337 690 H GLN 87 H GLN 87 6.218 -3.394 9.379 691 HA GLN 87 HA GLN 87 7.969 -3.674 11.655 692 HB2 GLN 87 2HB GLN 87 5.008 -3.843 11.105 693 HB3 GLN 87 1HB GLN 87 5.632 -4.196 12.716 694 HG2 GLN 87 2HG GLN 87 6.523 -2.012 12.974 695 HG3 GLN 87 1HG GLN 87 6.390 -1.668 11.249 696 HE21 GLN 87 1HE2 GLN 87 4.389 -2.240 14.182 697 HE22 GLN 87 2HE2 GLN 87 3.042 -1.378 13.612 698 H LYS 88 H LYS 88 6.012 -5.990 9.776 699 HA LYS 88 HA LYS 88 6.460 -8.260 11.515 700 HB2 LYS 88 2HB LYS 88 5.517 -7.779 8.693 701 HB3 LYS 88 1HB LYS 88 5.768 -9.426 9.269 702 HG2 LYS 88 2HG LYS 88 4.312 -7.868 11.234 703 HG3 LYS 88 1HG LYS 88 3.489 -7.831 9.675 704 HD2 LYS 88 2HD LYS 88 2.712 -9.906 10.070 705 HD3 LYS 88 1HD LYS 88 4.372 -10.500 10.054 706 HE2 LYS 88 2HE LYS 88 3.417 -11.134 12.187 707 HE3 LYS 88 1HE LYS 88 4.523 -9.784 12.506 708 HZ1 LYS 88 3HZ LYS 88 2.226 -9.548 13.478 709 HZ2 LYS 88 1HZ LYS 88 1.643 -9.396 11.894 710 HZ3 LYS 88 2HZ LYS 88 2.741 -8.253 12.509 711 H GLY 89 H GLY 89 7.886 -7.345 8.358 712 HA2 GLY 89 2HA GLY 89 10.432 -7.523 8.302 713 HA3 GLY 89 1HA GLY 89 10.183 -9.137 8.958 714 H LEU 90 H LEU 90 8.510 -7.357 6.342 715 HA LEU 90 HA LEU 90 9.142 -9.653 4.527 716 HG LEU 90 HG LEU 90 6.978 -10.349 6.035 717 HB2 LEU 90 2HB LEU 90 6.666 -8.079 5.127 718 HB3 LEU 90 1HB LEU 90 6.872 -8.701 3.490 719 HD11 LEU 90 1HD1 LEU 90 4.721 -9.436 5.138 720 HD12 LEU 90 2HD1 LEU 90 4.844 -11.165 5.465 721 HD13 LEU 90 3HD1 LEU 90 4.959 -10.572 3.809 722 HD21 LEU 90 3HD2 LEU 90 6.871 -12.237 4.260 723 HD22 LEU 90 1HD2 LEU 90 8.420 -11.425 4.490 724 HD23 LEU 90 2HD2 LEU 90 7.399 -11.004 3.115 725 H ILE 91 H ILE 91 8.316 -6.159 4.558 726 HA ILE 91 HA ILE 91 9.704 -5.851 1.945 727 HB ILE 91 HB ILE 91 7.959 -3.971 3.583 728 HG12 ILE 91 2HG1 ILE 91 7.310 -5.540 1.065 729 HG13 ILE 91 1HG1 ILE 91 6.811 -6.021 2.686 730 HG21 ILE 91 1HG2 ILE 91 7.829 -2.704 1.418 731 HG22 ILE 91 2HG2 ILE 91 9.066 -3.777 0.763 732 HG23 ILE 91 3HG2 ILE 91 9.448 -2.716 2.119 733 HD11 ILE 91 3HD1 ILE 91 5.741 -3.702 2.882 734 HD12 ILE 91 1HD1 ILE 91 4.952 -4.837 1.787 735 HD13 ILE 91 2HD1 ILE 91 5.983 -3.561 1.141 736 H SER 92 H SER 92 11.816 -6.205 3.104 737 HA SER 92 HA SER 92 12.729 -4.263 5.080 738 HG SER 92 HG SER 92 14.376 -7.346 3.134 739 HB2 SER 92 2HB SER 92 14.884 -5.450 4.719 740 HB3 SER 92 1HB SER 92 13.554 -6.579 4.944 741 H GLN 93 H GLN 93 15.066 -3.264 4.400 742 HA GLN 93 HA GLN 93 14.499 -1.199 2.463 743 HB2 GLN 93 2HB GLN 93 16.375 -1.781 4.518 744 HB3 GLN 93 1HB GLN 93 17.308 -1.483 3.051 745 HG2 GLN 93 2HG GLN 93 15.806 0.589 2.732 746 HG3 GLN 93 1HG GLN 93 15.333 0.349 4.414 747 HE21 GLN 93 1HE2 GLN 93 18.298 0.699 2.386 748 HE22 GLN 93 2HE2 GLN 93 19.206 1.473 3.592 749 H GLN 94 H GLN 94 16.889 -3.885 2.409 750 HA GLN 94 HA GLN 94 17.766 -3.441 -0.279 751 HB2 GLN 94 2HB GLN 94 18.125 -5.327 1.891 752 HB3 GLN 94 1HB GLN 94 18.017 -6.186 0.356 753 HG2 GLN 94 2HG GLN 94 20.204 -5.661 0.092 754 HG3 GLN 94 1HG GLN 94 19.638 -4.030 -0.268 755 HE21 GLN 94 1HE2 GLN 94 20.341 -2.392 1.138 756 HE22 GLN 94 2HE2 GLN 94 21.054 -2.668 2.654 757 H GLU 95 H GLU 95 15.230 -5.616 1.024 758 HA GLU 95 HA GLU 95 14.574 -6.839 -1.499 759 HB2 GLU 95 2HB GLU 95 13.996 -7.372 1.041 760 HB3 GLU 95 1HB GLU 95 12.554 -6.423 0.676 761 HG2 GLU 95 2HG GLU 95 11.833 -8.547 0.069 762 HG3 GLU 95 1HG GLU 95 12.466 -7.965 -1.471 763 H ALA 96 H ALA 96 13.327 -3.949 0.178 764 HA ALA 96 HA ALA 96 11.193 -3.405 -1.682 765 HB1 ALA 96 3HB ALA 96 11.192 -2.402 0.505 766 HB2 ALA 96 1HB ALA 96 11.445 -1.081 -0.634 767 HB3 ALA 96 2HB ALA 96 12.809 -1.739 0.268 768 H ASN 97 H ASN 97 14.602 -2.384 -1.494 769 HA ASN 97 HA ASN 97 14.547 -0.557 -3.714 770 HB2 ASN 97 2HB ASN 97 16.509 -1.951 -1.993 771 HB3 ASN 97 1HB ASN 97 17.116 -1.519 -3.592 772 HD21 ASN 97 1HD2 ASN 97 17.749 0.643 -3.879 773 HD22 ASN 97 2HD2 ASN 97 17.388 1.900 -2.797 774 H GLN 98 H GLN 98 15.203 -4.059 -3.475 775 HA GLN 98 HA GLN 98 16.027 -4.495 -6.180 776 HB2 GLN 98 2HB GLN 98 14.706 -6.167 -4.028 777 HB3 GLN 98 1HB GLN 98 15.096 -6.855 -5.605 778 HG2 GLN 98 2HG GLN 98 17.345 -5.353 -4.530 779 HG3 GLN 98 1HG GLN 98 16.831 -6.617 -3.414 780 HE21 GLN 98 1HE2 GLN 98 17.652 -8.680 -3.859 781 HE22 GLN 98 2HE2 GLN 98 18.261 -9.175 -5.365 782 H TRP 99 H TRP 99 12.798 -4.548 -4.645 783 HA TRP 99 HA TRP 99 11.342 -5.264 -7.034 784 HD1 TRP 99 HD1 TRP 99 9.304 -6.307 -7.220 785 HE1 TRP 99 HE1 TRP 99 6.848 -5.809 -7.828 786 HE3 TRP 99 HE3 TRP 99 8.417 -2.337 -4.135 787 HZ2 TRP 99 HZ2 TRP 99 4.783 -3.971 -7.101 788 HZ3 TRP 99 HZ3 TRP 99 6.202 -1.237 -4.112 789 HH2 TRP 99 HH2 TRP 99 4.384 -2.046 -5.591 790 HB2 TRP 99 2HB TRP 99 10.568 -5.440 -4.645 791 HB3 TRP 99 1HB TRP 99 10.443 -3.682 -4.604 792 H LEU 100 H LEU 100 12.254 -2.176 -5.540 793 HA LEU 100 HA LEU 100 10.788 -0.471 -7.349 794 HG LEU 100 HG LEU 100 10.797 -0.443 -4.617 795 HB2 LEU 100 2HB LEU 100 13.158 -0.129 -5.498 796 HB3 LEU 100 1HB LEU 100 12.542 1.212 -6.460 797 HD11 LEU 100 1HD1 LEU 100 12.630 0.800 -3.411 798 HD12 LEU 100 2HD1 LEU 100 11.003 1.333 -2.988 799 HD13 LEU 100 3HD1 LEU 100 11.988 2.295 -4.091 800 HD21 LEU 100 3HD2 LEU 100 10.457 2.055 -6.270 801 HD22 LEU 100 1HD2 LEU 100 9.462 1.796 -4.837 802 HD23 LEU 100 2HD2 LEU 100 9.405 0.643 -6.169 803 H SER 101 H SER 101 14.114 -1.770 -7.377 804 HA SER 101 HA SER 101 14.982 -0.285 -9.701 805 HG SER 101 HG SER 101 16.450 -1.234 -7.022 806 HB2 SER 101 2HB SER 101 15.939 -2.818 -8.338 807 HB3 SER 101 1HB SER 101 16.806 -2.049 -9.662 808 H SER 102 HN SER 102 13.842 -3.655 -9.262 809 HA SER 102 HA SER 102 12.926 -5.191 -10.788 810 HG SER 102 HG SER 102 11.348 -3.283 -9.982 811 HB2 SER 102 2HB SER 102 12.272 -2.512 -12.043 812 HB3 SER 102 1HB SER 102 11.675 -4.029 -12.704 Start of MODEL 5 1 HA GLU 1 HA GLU 1 19.153 15.124 10.906 2 H1 GLU 1 1H GLU 1 20.979 14.381 12.413 3 H2 GLU 1 2H GLU 1 19.946 14.648 13.737 4 H3 GLU 1 3H GLU 1 20.420 15.946 12.749 5 HB2 GLU 1 2HB GLU 1 19.448 12.714 12.554 6 HB3 GLU 1 1HB GLU 1 17.814 12.904 11.919 7 HG2 GLU 1 2HG GLU 1 18.737 13.193 9.642 8 HG3 GLU 1 1HG GLU 1 20.366 12.970 10.281 9 H ALA 2 H ALA 2 16.853 15.540 10.746 10 HA ALA 2 HA ALA 2 15.621 16.497 13.308 11 HB1 ALA 2 3HB ALA 2 15.446 17.356 10.413 12 HB2 ALA 2 1HB ALA 2 15.970 18.307 11.803 13 HB3 ALA 2 2HB ALA 2 14.266 17.896 11.607 14 H TYR 3 H TYR 3 14.396 15.471 10.085 15 HA TYR 3 HA TYR 3 12.128 14.096 11.428 16 HD1 TYR 3 HD1 TYR 3 12.405 17.343 9.676 17 HD2 TYR 3 HD2 TYR 3 9.476 14.213 9.968 18 HE1 TYR 3 HE1 TYR 3 10.701 19.002 10.378 19 HE2 TYR 3 HE2 TYR 3 7.772 15.874 10.669 20 HH TYR 3 HH TYR 3 8.106 18.433 11.916 21 HB2 TYR 3 2HB TYR 3 12.808 15.134 8.699 22 HB3 TYR 3 1HB TYR 3 11.605 13.852 8.820 23 H VAL 4 H VAL 4 12.376 11.956 11.894 24 HA VAL 4 HA VAL 4 14.382 10.334 10.412 25 HB VAL 4 HB VAL 4 13.909 8.707 12.262 26 HG11 VAL 4 1HG1 VAL 4 15.702 10.131 12.757 27 HG12 VAL 4 2HG1 VAL 4 14.636 10.367 14.142 28 HG13 VAL 4 3HG1 VAL 4 14.673 11.560 12.843 29 HG21 VAL 4 3HG2 VAL 4 12.244 9.016 13.823 30 HG22 VAL 4 1HG2 VAL 4 11.483 9.863 12.477 31 HG23 VAL 4 2HG2 VAL 4 12.332 10.774 13.726 32 H GLN 5 H GLN 5 12.378 10.881 8.675 33 HA GLN 5 HA GLN 5 10.389 8.661 8.781 34 HB2 GLN 5 2HB GLN 5 10.708 11.028 6.900 35 HB3 GLN 5 1HB GLN 5 9.311 9.957 6.986 36 HG2 GLN 5 2HG GLN 5 8.816 10.685 9.249 37 HG3 GLN 5 1HG GLN 5 10.298 11.640 9.308 38 HE21 GLN 5 1HE2 GLN 5 10.385 13.203 7.156 39 HE22 GLN 5 2HE2 GLN 5 8.957 14.088 6.917 40 H GLY 6 H GLY 6 13.339 8.250 8.121 41 HA2 GLY 6 2HA GLY 6 13.673 7.843 5.314 42 HA3 GLY 6 1HA GLY 6 14.610 7.035 6.570 43 H TRP 7 H TRP 7 12.810 5.507 7.894 44 HA TRP 7 HA TRP 7 12.337 3.276 6.148 45 HD1 TRP 7 HD1 TRP 7 14.526 3.730 7.887 46 HE1 TRP 7 HE1 TRP 7 15.970 1.702 8.559 47 HE3 TRP 7 HE3 TRP 7 10.863 0.472 9.321 48 HZ2 TRP 7 HZ2 TRP 7 15.618 -0.949 9.572 49 HZ3 TRP 7 HZ3 TRP 7 11.445 -1.795 10.134 50 HH2 TRP 7 HH2 TRP 7 13.815 -2.509 10.262 51 HB2 TRP 7 2HB TRP 7 11.683 4.104 8.951 52 HB3 TRP 7 1HB TRP 7 10.800 2.734 8.285 53 H GLU 8 H GLU 8 10.137 5.749 7.503 54 HA GLU 8 HA GLU 8 7.704 4.737 6.395 55 HB2 GLU 8 2HB GLU 8 8.686 7.498 7.179 56 HB3 GLU 8 1HB GLU 8 7.016 7.173 6.727 57 HG2 GLU 8 2HG GLU 8 8.356 5.522 8.859 58 HG3 GLU 8 1HG GLU 8 7.657 7.092 9.253 59 H ALA 9 H ALA 9 10.166 6.962 5.103 60 HA ALA 9 HA ALA 9 8.806 7.739 2.718 61 HB1 ALA 9 3HB ALA 9 11.209 8.181 1.968 62 HB2 ALA 9 1HB ALA 9 11.720 7.462 3.495 63 HB3 ALA 9 2HB ALA 9 10.746 8.931 3.496 64 H VAL 10 H VAL 10 10.972 4.988 3.423 65 HA VAL 10 HA VAL 10 11.092 3.951 0.748 66 HB VAL 10 HB VAL 10 11.306 2.612 3.471 67 HG11 VAL 10 1HG1 VAL 10 12.640 0.899 2.226 68 HG12 VAL 10 2HG1 VAL 10 12.172 1.681 0.716 69 HG13 VAL 10 3HG1 VAL 10 10.945 0.935 1.740 70 HG21 VAL 10 3HG2 VAL 10 13.157 3.930 3.577 71 HG22 VAL 10 1HG2 VAL 10 13.091 4.315 1.858 72 HG23 VAL 10 2HG2 VAL 10 13.838 2.812 2.398 73 H ALA 11 H ALA 11 8.909 3.287 3.492 74 HA ALA 11 HA ALA 11 7.326 1.276 2.177 75 HB1 ALA 11 3HB ALA 11 6.905 1.282 4.437 76 HB2 ALA 11 1HB ALA 11 5.652 2.443 3.998 77 HB3 ALA 11 2HB ALA 11 7.215 3.012 4.583 78 H ALA 12 H ALA 12 7.067 4.819 2.401 79 HA ALA 12 HA ALA 12 4.552 5.120 1.066 80 HB1 ALA 12 3HB ALA 12 5.823 6.820 2.429 81 HB2 ALA 12 1HB ALA 12 5.271 7.441 0.874 82 HB3 ALA 12 2HB ALA 12 6.957 6.972 1.087 83 H ALA 13 H ALA 13 7.913 5.004 -0.152 84 HA ALA 13 HA ALA 13 7.339 5.573 -2.899 85 HB1 ALA 13 3HB ALA 13 9.583 5.637 -1.914 86 HB2 ALA 13 1HB ALA 13 9.564 4.461 -3.228 87 HB3 ALA 13 2HB ALA 13 9.499 3.913 -1.553 88 H VAL 14 H VAL 14 7.425 2.516 -1.060 89 HA VAL 14 HA VAL 14 6.988 0.748 -3.276 90 HB VAL 14 HB VAL 14 6.271 0.554 -0.327 91 HG11 VAL 14 1HG1 VAL 14 6.368 -1.919 -0.752 92 HG12 VAL 14 2HG1 VAL 14 6.468 -1.574 -2.478 93 HG13 VAL 14 3HG1 VAL 14 5.026 -1.120 -1.571 94 HG21 VAL 14 3HG2 VAL 14 8.533 -1.013 -1.319 95 HG22 VAL 14 1HG2 VAL 14 8.452 0.084 0.059 96 HG23 VAL 14 2HG2 VAL 14 8.771 0.718 -1.555 97 H ALA 15 H ALA 15 4.764 2.455 -1.076 98 HA ALA 15 HA ALA 15 2.316 1.322 -2.030 99 HB1 ALA 15 3HB ALA 15 1.479 3.626 -1.101 100 HB2 ALA 15 1HB ALA 15 3.163 3.853 -0.633 101 HB3 ALA 15 2HB ALA 15 2.244 2.494 0.011 102 H SER 16 H SER 16 4.186 4.184 -3.082 103 HA SER 16 HA SER 16 2.290 5.145 -5.016 104 HG SER 16 HG SER 16 3.804 6.541 -6.675 105 HB2 SER 16 2HB SER 16 4.467 6.171 -3.943 106 HB3 SER 16 1HB SER 16 5.276 5.406 -5.306 107 H LYS 17 H LYS 17 4.992 2.827 -5.222 108 HA LYS 17 HA LYS 17 4.895 2.431 -8.067 109 HB2 LYS 17 2HB LYS 17 6.765 1.827 -6.525 110 HB3 LYS 17 1HB LYS 17 5.757 0.554 -5.837 111 HG2 LYS 17 2HG LYS 17 5.882 -0.767 -7.732 112 HG3 LYS 17 1HG LYS 17 6.114 0.612 -8.807 113 HD2 LYS 17 2HD LYS 17 8.319 0.524 -6.983 114 HD3 LYS 17 1HD LYS 17 8.110 -1.086 -7.672 115 HE2 LYS 17 2HE LYS 17 8.053 1.354 -9.454 116 HE3 LYS 17 1HE LYS 17 9.590 0.595 -8.994 117 HZ1 LYS 17 3HZ LYS 17 7.265 -0.848 -10.158 118 HZ2 LYS 17 1HZ LYS 17 8.772 -1.522 -9.770 119 HZ3 LYS 17 2HZ LYS 17 8.650 -0.386 -11.026 120 H ILE 18 H ILE 18 3.109 1.009 -5.356 121 HA ILE 18 HA ILE 18 1.940 -1.222 -6.703 122 HB ILE 18 HB ILE 18 1.365 0.484 -4.301 123 HG12 ILE 18 2HG1 ILE 18 3.040 -1.412 -4.348 124 HG13 ILE 18 1HG1 ILE 18 1.793 -1.567 -3.113 125 HG21 ILE 18 1HG2 ILE 18 -0.572 -1.096 -3.791 126 HG22 ILE 18 2HG2 ILE 18 -0.530 -1.554 -5.493 127 HG23 ILE 18 3HG2 ILE 18 -0.884 0.113 -5.037 128 HD11 ILE 18 3HD1 ILE 18 2.444 -3.511 -4.971 129 HD12 ILE 18 1HD1 ILE 18 1.016 -2.760 -5.682 130 HD13 ILE 18 2HD1 ILE 18 0.937 -3.441 -4.058 131 H VAL 19 H VAL 19 0.701 2.111 -6.196 132 HA VAL 19 HA VAL 19 -1.755 1.768 -7.636 133 HB VAL 19 HB VAL 19 0.007 4.139 -6.950 134 HG11 VAL 19 1HG1 VAL 19 -1.122 5.149 -8.685 135 HG12 VAL 19 2HG1 VAL 19 -2.364 5.310 -7.443 136 HG13 VAL 19 3HG1 VAL 19 -2.460 4.002 -8.623 137 HG21 VAL 19 3HG2 VAL 19 -1.607 4.537 -5.221 138 HG22 VAL 19 1HG2 VAL 19 -1.254 2.811 -5.165 139 HG23 VAL 19 2HG2 VAL 19 -2.740 3.382 -5.920 140 H GLY 20 H GLY 20 1.499 2.782 -8.679 141 HA2 GLY 20 2HA GLY 20 0.762 3.433 -11.390 142 HA3 GLY 20 1HA GLY 20 2.398 3.091 -10.828 143 H LEU 21 H LEU 21 1.649 0.416 -9.769 144 HA LEU 21 HA LEU 21 1.456 -1.025 -12.383 145 HG LEU 21 HG LEU 21 2.628 -2.668 -12.752 146 HB2 LEU 21 2HB LEU 21 3.504 -0.986 -10.678 147 HB3 LEU 21 1HB LEU 21 2.556 -2.239 -9.879 148 HD11 LEU 21 1HD1 LEU 21 4.765 -1.711 -12.905 149 HD12 LEU 21 2HD1 LEU 21 5.128 -3.409 -12.595 150 HD13 LEU 21 3HD1 LEU 21 5.219 -2.232 -11.283 151 HD21 LEU 21 3HD2 LEU 21 2.025 -4.477 -11.347 152 HD22 LEU 21 1HD2 LEU 21 3.376 -4.190 -10.251 153 HD23 LEU 21 2HD2 LEU 21 3.669 -4.865 -11.853 154 H TRP 22 H TRP 22 -0.918 -0.218 -10.840 155 HA TRP 22 HA TRP 22 -1.851 -2.772 -9.646 156 HD1 TRP 22 HD1 TRP 22 -3.518 -3.501 -8.251 157 HE1 TRP 22 HE1 TRP 22 -5.990 -3.700 -7.542 158 HE3 TRP 22 HE3 TRP 22 -5.078 1.275 -9.155 159 HZ2 TRP 22 HZ2 TRP 22 -8.319 -2.051 -7.385 160 HZ3 TRP 22 HZ3 TRP 22 -7.427 1.933 -8.719 161 HH2 TRP 22 HH2 TRP 22 -9.048 0.277 -7.835 162 HB2 TRP 22 2HB TRP 22 -2.109 -0.722 -8.340 163 HB3 TRP 22 1HB TRP 22 -2.957 0.053 -9.675 164 H ARG 23 H ARG 23 -3.466 -3.972 -10.586 165 HA ARG 23 HA ARG 23 -4.395 -3.200 -13.307 166 HE ARG 23 HE ARG 23 -4.619 -8.083 -12.888 167 HB2 ARG 23 2HB ARG 23 -3.293 -5.457 -12.406 168 HB3 ARG 23 1HB ARG 23 -4.950 -5.816 -11.931 169 HG2 ARG 23 2HG ARG 23 -4.976 -4.774 -14.605 170 HG3 ARG 23 1HG ARG 23 -3.777 -6.063 -14.517 171 HD2 ARG 23 2HD ARG 23 -6.524 -6.447 -13.312 172 HD3 ARG 23 1HD ARG 23 -6.233 -6.749 -15.035 173 HH11 ARG 23 2HH1 ARG 23 -7.208 -9.112 -14.438 174 HH12 ARG 23 1HH1 ARG 23 -6.451 -10.273 -15.476 175 HH21 ARG 23 1HH2 ARG 23 -3.230 -9.121 -14.854 176 HH22 ARG 23 2HH2 ARG 23 -4.190 -10.279 -15.711 177 H ASN 24 H ASN 24 -6.804 -4.474 -13.475 178 HA ASN 24 HA ASN 24 -8.785 -2.805 -12.506 179 HB2 ASN 24 2HB ASN 24 -8.559 -5.637 -13.351 180 HB3 ASN 24 1HB ASN 24 -10.009 -5.257 -12.424 181 HD21 ASN 24 1HD2 ASN 24 -11.604 -5.115 -14.057 182 HD22 ASN 24 2HD2 ASN 24 -11.495 -4.082 -15.398 183 H GLU 25 H GLU 25 -7.430 -5.646 -10.818 184 HA GLU 25 HA GLU 25 -8.008 -4.471 -8.200 185 HB2 GLU 25 2HB GLU 25 -9.591 -6.250 -7.529 186 HB3 GLU 25 1HB GLU 25 -10.210 -5.354 -8.913 187 HG2 GLU 25 2HG GLU 25 -9.240 -7.146 -10.406 188 HG3 GLU 25 1HG GLU 25 -8.874 -8.074 -8.953 189 H LYS 26 H LYS 26 -5.620 -5.432 -9.540 190 HA LYS 26 HA LYS 26 -4.665 -7.352 -7.506 191 HB2 LYS 26 2HB LYS 26 -5.788 -8.619 -9.383 192 HB3 LYS 26 1HB LYS 26 -4.558 -7.974 -10.468 193 HG2 LYS 26 2HG LYS 26 -2.893 -8.925 -8.641 194 HG3 LYS 26 1HG LYS 26 -4.260 -9.962 -8.239 195 HD2 LYS 26 2HD LYS 26 -2.982 -9.683 -10.977 196 HD3 LYS 26 1HD LYS 26 -2.819 -11.066 -9.896 197 HE2 LYS 26 2HE LYS 26 -5.539 -10.117 -10.842 198 HE3 LYS 26 1HE LYS 26 -4.580 -11.288 -11.767 199 HZ1 LYS 26 3HZ LYS 26 -5.034 -11.623 -8.861 200 HZ2 LYS 26 1HZ LYS 26 -4.556 -12.788 -9.997 201 HZ3 LYS 26 2HZ LYS 26 -6.152 -12.207 -9.996 202 H THR 27 H THR 27 -2.436 -7.081 -7.167 203 HA THR 27 HA THR 27 -0.794 -5.733 -9.244 204 HB THR 27 HB THR 27 -1.928 -4.028 -7.721 205 HG1 THR 27 HG1 THR 27 0.057 -3.614 -8.818 206 HG21 THR 27 3HG2 THR 27 0.036 -5.017 -5.652 207 HG22 THR 27 1HG2 THR 27 -1.652 -5.527 -5.670 208 HG23 THR 27 2HG2 THR 27 -1.246 -3.825 -5.448 209 H GLU 28 H GLU 28 1.535 -5.924 -8.749 210 HA GLU 28 HA GLU 28 2.094 -8.360 -7.124 211 HB2 GLU 28 2HB GLU 28 3.309 -6.939 -9.461 212 HB3 GLU 28 1HB GLU 28 4.371 -7.913 -8.445 213 HG2 GLU 28 2HG GLU 28 2.576 -9.765 -8.690 214 HG3 GLU 28 1HG GLU 28 1.970 -8.803 -10.039 215 H LEU 29 H LEU 29 3.564 -8.312 -5.413 216 HA LEU 29 HA LEU 29 4.725 -5.645 -4.686 217 HG LEU 29 HG LEU 29 2.430 -5.244 -3.981 218 HB2 LEU 29 2HB LEU 29 3.074 -7.626 -3.194 219 HB3 LEU 29 1HB LEU 29 4.361 -6.832 -2.292 220 HD11 LEU 29 1HD1 LEU 29 0.838 -6.109 -2.559 221 HD12 LEU 29 2HD1 LEU 29 1.467 -4.842 -1.508 222 HD13 LEU 29 3HD1 LEU 29 2.018 -6.505 -1.310 223 HD21 LEU 29 3HD2 LEU 29 3.077 -3.603 -2.032 224 HD22 LEU 29 1HD2 LEU 29 4.225 -3.883 -3.341 225 HD23 LEU 29 2HD2 LEU 29 4.429 -4.710 -1.797 226 H LEU 30 H LEU 30 6.920 -5.891 -4.941 227 HA LEU 30 HA LEU 30 9.091 -6.790 -4.751 228 HG LEU 30 HG LEU 30 10.577 -8.011 -3.028 229 HB2 LEU 30 2HB LEU 30 7.732 -7.163 -2.388 230 HB3 LEU 30 1HB LEU 30 8.245 -8.807 -2.763 231 HD11 LEU 30 1HD1 LEU 30 9.791 -5.386 -1.801 232 HD12 LEU 30 2HD1 LEU 30 9.642 -5.585 -3.547 233 HD13 LEU 30 3HD1 LEU 30 11.211 -5.785 -2.768 234 HD21 LEU 30 3HD2 LEU 30 10.896 -7.352 -0.582 235 HD22 LEU 30 1HD2 LEU 30 10.007 -8.849 -0.857 236 HD23 LEU 30 2HD2 LEU 30 9.139 -7.372 -0.442 237 H GLY 31 H GLY 31 7.009 -8.088 -6.568 238 HA2 GLY 31 2HA GLY 31 7.487 -9.783 -8.217 239 HA3 GLY 31 1HA GLY 31 8.536 -10.586 -7.051 240 H HIS 32 H HIS 32 6.132 -10.074 -5.049 241 HA HIS 32 HA HIS 32 4.902 -12.708 -5.537 242 HD1 HIS 32 HD1 HIS 32 6.574 -13.746 -4.028 243 HD2 HIS 32 HD2 HIS 32 6.632 -10.182 -1.870 244 HE1 HIS 32 HE1 HIS 32 8.844 -13.624 -2.911 245 HB2 HIS 32 2HB HIS 32 4.379 -10.678 -3.344 246 HB3 HIS 32 1HB HIS 32 4.069 -12.409 -3.286 247 H GLU 33 H GLU 33 2.589 -12.993 -5.730 248 HA GLU 33 HA GLU 33 1.226 -10.821 -7.175 249 HB2 GLU 33 2HB GLU 33 0.719 -13.714 -6.502 250 HB3 GLU 33 1HB GLU 33 -0.591 -12.721 -7.140 251 HG2 GLU 33 2HG GLU 33 0.262 -12.789 -9.229 252 HG3 GLU 33 1HG GLU 33 1.864 -12.330 -8.656 253 H CYS 34 H CYS 34 -0.420 -9.540 -6.315 254 HA CYS 34 HA CYS 34 -1.439 -10.212 -3.583 255 HB2 CYS 34 2HB CYS 34 -0.220 -7.632 -4.592 256 HB3 CYS 34 1HB CYS 34 -1.125 -7.743 -3.085 257 H LYS 35 H LYS 35 -3.336 -8.738 -3.023 258 HA LYS 35 HA LYS 35 -4.983 -8.148 -5.458 259 HB2 LYS 35 2HB LYS 35 -5.545 -10.198 -4.065 260 HB3 LYS 35 1HB LYS 35 -5.945 -9.100 -2.746 261 HG2 LYS 35 2HG LYS 35 -8.033 -9.326 -3.734 262 HG3 LYS 35 1HG LYS 35 -7.423 -7.926 -4.614 263 HD2 LYS 35 2HD LYS 35 -6.904 -9.201 -6.530 264 HD3 LYS 35 1HD LYS 35 -6.937 -10.720 -5.637 265 HE2 LYS 35 2HE LYS 35 -8.976 -10.525 -7.007 266 HE3 LYS 35 1HE LYS 35 -9.410 -10.409 -5.290 267 HZ1 LYS 35 3HZ LYS 35 -8.733 -8.007 -6.885 268 HZ2 LYS 35 1HZ LYS 35 -9.565 -8.093 -5.408 269 HZ3 LYS 35 2HZ LYS 35 -10.322 -8.616 -6.839 270 H PHE 36 H PHE 36 -4.858 -5.926 -5.546 271 HA PHE 36 HA PHE 36 -5.345 -4.349 -3.048 272 HD1 PHE 36 HD2 PHE 36 -5.509 -2.344 -2.642 273 HD2 PHE 36 HD1 PHE 36 -3.069 -1.526 -6.082 274 HE1 PHE 36 HE2 PHE 36 -5.755 0.087 -2.240 275 HE2 PHE 36 HE1 PHE 36 -3.313 0.904 -5.675 276 HZ PHE 36 HZ PHE 36 -4.654 1.709 -3.755 277 HB2 PHE 36 2HB PHE 36 -3.220 -3.935 -4.168 278 HB3 PHE 36 1HB PHE 36 -4.026 -3.744 -5.718 279 H THR 37 H THR 37 -7.277 -3.174 -2.952 280 HA THR 37 HA THR 37 -8.750 -2.671 -5.505 281 HB THR 37 HB THR 37 -10.820 -3.456 -4.210 282 HG1 THR 37 HG1 THR 37 -9.890 -3.448 -2.147 283 HG21 THR 37 3HG2 THR 37 -9.349 -4.768 -5.937 284 HG22 THR 37 1HG2 THR 37 -10.549 -5.640 -4.984 285 HG23 THR 37 2HG2 THR 37 -8.847 -5.698 -4.525 286 H VAL 38 H VAL 38 -10.269 -0.920 -5.381 287 HA VAL 38 HA VAL 38 -10.283 0.712 -2.891 288 HB VAL 38 HB VAL 38 -8.435 1.336 -4.570 289 HG11 VAL 38 1HG1 VAL 38 -10.647 2.691 -6.096 290 HG12 VAL 38 2HG1 VAL 38 -10.158 1.051 -6.517 291 HG13 VAL 38 3HG1 VAL 38 -8.989 2.367 -6.600 292 HG21 VAL 38 3HG2 VAL 38 -9.507 3.864 -4.511 293 HG22 VAL 38 1HG2 VAL 38 -8.657 3.106 -3.166 294 HG23 VAL 38 2HG2 VAL 38 -10.418 3.058 -3.234 295 H LYS 39 H LYS 39 -12.243 1.874 -2.619 296 HA LYS 39 HA LYS 39 -14.192 1.930 -4.862 297 HB2 LYS 39 2HB LYS 39 -14.119 -0.046 -2.823 298 HB3 LYS 39 1HB LYS 39 -15.496 0.996 -2.467 299 HG2 LYS 39 2HG LYS 39 -16.673 0.108 -4.165 300 HG3 LYS 39 1HG LYS 39 -15.377 0.468 -5.304 301 HD2 LYS 39 2HD LYS 39 -14.277 -1.641 -4.003 302 HD3 LYS 39 1HD LYS 39 -15.986 -2.058 -3.871 303 HE2 LYS 39 2HE LYS 39 -16.228 -2.363 -6.148 304 HE3 LYS 39 1HE LYS 39 -15.011 -1.133 -6.545 305 HZ1 LYS 39 3HZ LYS 39 -14.336 -3.684 -5.184 306 HZ2 LYS 39 1HZ LYS 39 -13.268 -2.566 -5.887 307 HZ3 LYS 39 2HZ LYS 39 -14.284 -3.507 -6.872 308 HA PRO 40 HA PRO 40 -14.929 5.789 -2.728 309 HB2 PRO 40 2HB PRO 40 -16.757 6.769 -4.505 310 HB3 PRO 40 1HB PRO 40 -15.014 6.772 -4.819 311 HG2 PRO 40 2HG PRO 40 -17.119 4.960 -5.857 312 HG3 PRO 40 1HG PRO 40 -15.661 5.568 -6.653 313 HD2 PRO 40 2HD PRO 40 -15.929 3.041 -5.583 314 HD3 PRO 40 1HD PRO 40 -14.379 3.860 -5.868 315 H TYR 41 H TYR 41 -16.642 6.570 -1.379 316 HA TYR 41 HA TYR 41 -19.209 5.029 -1.444 317 HD1 TYR 41 HD1 TYR 41 -19.317 3.041 -1.020 318 HD2 TYR 41 HD2 TYR 41 -15.895 3.926 1.421 319 HE1 TYR 41 HE1 TYR 41 -18.474 0.736 -1.369 320 HE2 TYR 41 HE2 TYR 41 -15.057 1.618 1.074 321 HH TYR 41 HH TYR 41 -16.653 -0.824 0.279 322 HB2 TYR 41 2HB TYR 41 -17.417 5.639 0.919 323 HB3 TYR 41 1HB TYR 41 -19.048 5.009 1.070 324 H LEU 42 H LEU 42 -20.578 6.209 0.502 325 HA LEU 42 HA LEU 42 -20.326 9.157 0.290 326 HG LEU 42 HG LEU 42 -22.226 10.477 -0.247 327 HB2 LEU 42 2HB LEU 42 -21.719 7.832 -1.593 328 HB3 LEU 42 1HB LEU 42 -22.978 7.967 -0.366 329 HD11 LEU 42 1HD1 LEU 42 -21.543 11.193 -2.627 330 HD12 LEU 42 2HD1 LEU 42 -21.086 9.507 -2.873 331 HD13 LEU 42 3HD1 LEU 42 -20.292 10.463 -1.622 332 HD21 LEU 42 3HD2 LEU 42 -24.431 9.733 -1.032 333 HD22 LEU 42 1HD2 LEU 42 -23.753 9.334 -2.611 334 HD23 LEU 42 2HD2 LEU 42 -23.822 11.014 -2.081 335 H LYS 43 H LYS 43 -21.347 10.227 1.993 336 HA LYS 43 HA LYS 43 -22.590 8.522 4.118 337 HB2 LYS 43 2HB LYS 43 -20.339 10.044 4.216 338 HB3 LYS 43 1HB LYS 43 -21.538 11.247 4.685 339 HG2 LYS 43 2HG LYS 43 -21.047 10.331 6.760 340 HG3 LYS 43 1HG LYS 43 -22.389 9.298 6.273 341 HD2 LYS 43 2HD LYS 43 -20.771 7.642 5.377 342 HD3 LYS 43 1HD LYS 43 -19.444 8.663 5.926 343 HE2 LYS 43 2HE LYS 43 -21.020 8.428 8.206 344 HE3 LYS 43 1HE LYS 43 -21.113 6.814 7.475 345 HZ1 LYS 43 3HZ LYS 43 -19.133 7.010 8.853 346 HZ2 LYS 43 1HZ LYS 43 -18.616 8.360 7.966 347 HZ3 LYS 43 2HZ LYS 43 -18.700 6.835 7.220 348 H ARG 44 H ARG 44 -24.024 10.128 5.573 349 HA ARG 44 HA ARG 44 -26.421 10.735 4.381 350 HE ARG 44 HE ARG 44 -27.782 10.007 9.345 351 HB2 ARG 44 2HB ARG 44 -24.898 11.981 6.658 352 HB3 ARG 44 1HB ARG 44 -26.504 12.576 6.239 353 HG2 ARG 44 2HG ARG 44 -26.518 9.687 6.296 354 HG3 ARG 44 1HG ARG 44 -25.875 10.312 7.815 355 HD2 ARG 44 2HD ARG 44 -27.904 11.935 7.783 356 HD3 ARG 44 1HD ARG 44 -28.583 10.825 6.576 357 HH11 ARG 44 2HH1 ARG 44 -30.682 10.218 8.648 358 HH12 ARG 44 1HH1 ARG 44 -31.080 8.588 8.222 359 HH21 ARG 44 1HH2 ARG 44 -27.769 7.607 7.821 360 HH22 ARG 44 2HH2 ARG 44 -29.425 7.103 7.753 361 H PHE 45 H PHE 45 -23.592 12.900 4.452 362 HA PHE 45 HA PHE 45 -24.669 14.386 2.145 363 HD1 PHE 45 HD1 PHE 45 -24.248 17.440 1.952 364 HD2 PHE 45 HD2 PHE 45 -27.392 15.470 4.118 365 HE1 PHE 45 HE1 PHE 45 -25.937 18.694 0.642 366 HE2 PHE 45 HE2 PHE 45 -29.082 16.725 2.806 367 HZ PHE 45 HZ PHE 45 -28.354 18.338 1.068 368 HB2 PHE 45 2HB PHE 45 -25.143 15.203 4.807 369 HB3 PHE 45 1HB PHE 45 -23.880 16.275 4.202 370 H GLN 46 H GLN 46 -22.342 12.761 2.300 371 HA GLN 46 HA GLN 46 -20.270 14.732 1.599 372 HB2 GLN 46 2HB GLN 46 -20.528 13.729 4.253 373 HB3 GLN 46 1HB GLN 46 -19.097 12.976 3.553 374 HG2 GLN 46 2HG GLN 46 -19.569 15.937 3.254 375 HG3 GLN 46 1HG GLN 46 -18.816 15.287 4.710 376 HE21 GLN 46 1HE2 GLN 46 -16.611 14.652 4.574 377 HE22 GLN 46 2HE2 GLN 46 -15.712 14.694 3.134 378 H VAL 47 H VAL 47 -18.243 13.612 0.858 379 HA VAL 47 HA VAL 47 -18.828 10.876 -0.235 380 HB VAL 47 HB VAL 47 -16.999 13.069 -1.284 381 HG11 VAL 47 1HG1 VAL 47 -17.136 11.650 -3.379 382 HG12 VAL 47 2HG1 VAL 47 -17.915 10.405 -2.402 383 HG13 VAL 47 3HG1 VAL 47 -16.262 10.904 -2.042 384 HG21 VAL 47 3HG2 VAL 47 -18.963 12.877 -3.130 385 HG22 VAL 47 1HG2 VAL 47 -19.040 14.012 -1.783 386 HG23 VAL 47 2HG2 VAL 47 -19.892 12.471 -1.687 387 H TYR 48 H TYR 48 -17.347 9.268 0.282 388 HA TYR 48 HA TYR 48 -14.744 10.083 1.503 389 HD1 TYR 48 HD2 TYR 48 -14.094 10.480 3.775 390 HD2 TYR 48 HD1 TYR 48 -18.341 9.811 3.721 391 HE1 TYR 48 HE2 TYR 48 -14.422 12.421 5.281 392 HE2 TYR 48 HE1 TYR 48 -18.664 11.752 5.227 393 HH TYR 48 HH TYR 48 -16.835 12.966 7.085 394 HB2 TYR 48 2HB TYR 48 -16.931 8.312 2.603 395 HB3 TYR 48 1HB TYR 48 -15.268 8.161 3.167 396 H TYR 49 H TYR 49 -13.094 8.956 0.570 397 HA TYR 49 HA TYR 49 -13.717 6.642 -1.176 398 HD1 TYR 49 HD2 TYR 49 -13.579 9.377 -2.725 399 HD2 TYR 49 HD1 TYR 49 -10.935 6.025 -3.185 400 HE1 TYR 49 HE2 TYR 49 -14.125 9.277 -5.141 401 HE2 TYR 49 HE1 TYR 49 -11.475 5.928 -5.601 402 HH TYR 49 HH TYR 49 -12.883 8.373 -7.269 403 HB2 TYR 49 2HB TYR 49 -11.795 8.803 -1.025 404 HB3 TYR 49 1HB TYR 49 -10.953 7.260 -1.149 405 H LYS 50 H LYS 50 -12.647 4.597 -0.896 406 HA LYS 50 HA LYS 50 -11.063 4.173 1.581 407 HB2 LYS 50 2HB LYS 50 -13.396 3.924 2.260 408 HB3 LYS 50 1HB LYS 50 -13.695 2.834 0.910 409 HG2 LYS 50 2HG LYS 50 -12.355 1.116 1.849 410 HG3 LYS 50 1HG LYS 50 -11.588 2.226 2.985 411 HD2 LYS 50 2HD LYS 50 -13.135 1.633 4.509 412 HD3 LYS 50 1HD LYS 50 -14.350 2.418 3.501 413 HE2 LYS 50 2HE LYS 50 -15.275 0.313 3.440 414 HE3 LYS 50 1HE LYS 50 -14.053 0.027 2.186 415 HZ1 LYS 50 3HZ LYS 50 -13.586 -0.358 5.099 416 HZ2 LYS 50 1HZ LYS 50 -12.514 -0.741 3.840 417 HZ3 LYS 50 2HZ LYS 50 -13.960 -1.615 4.019 418 H GLY 51 H GLY 51 -9.755 2.282 1.451 419 HA2 GLY 51 2HA GLY 51 -10.075 0.506 -0.877 420 HA3 GLY 51 1HA GLY 51 -8.586 1.447 -0.828 421 H ARG 52 H ARG 52 -8.596 -1.362 -0.754 422 HA ARG 52 HA ARG 52 -7.185 -1.827 1.797 423 HE ARG 52 HE ARG 52 -9.458 -5.098 4.871 424 HB2 ARG 52 2HB ARG 52 -9.831 -2.269 1.815 425 HB3 ARG 52 1HB ARG 52 -9.322 -3.801 1.100 426 HG2 ARG 52 2HG ARG 52 -7.689 -2.966 3.402 427 HG3 ARG 52 1HG ARG 52 -9.379 -3.266 3.802 428 HD2 ARG 52 2HD ARG 52 -8.548 -5.358 2.041 429 HD3 ARG 52 1HD ARG 52 -7.323 -5.205 3.317 430 HH11 ARG 52 1HH2 ARG 52 -11.293 -5.864 2.612 431 HH12 ARG 52 2HH2 ARG 52 -11.405 -7.581 2.807 432 HH21 ARG 52 2HH1 ARG 52 -8.620 -7.788 4.880 433 HH22 ARG 52 1HH1 ARG 52 -9.888 -8.676 4.103 434 H MET 53 H MET 53 -5.520 -3.315 1.448 435 HA MET 53 HA MET 53 -5.683 -5.037 -0.986 436 HB2 MET 53 2HB MET 53 -3.522 -4.296 -1.701 437 HB3 MET 53 1HB MET 53 -4.436 -2.846 -1.310 438 HG2 MET 53 2HG MET 53 -2.772 -2.252 0.084 439 HG3 MET 53 1HG MET 53 -3.198 -3.626 1.102 440 HE1 MET 53 3HE MET 53 -0.007 -3.359 -2.163 441 HE2 MET 53 1HE MET 53 -1.236 -2.172 -1.707 442 HE3 MET 53 2HE MET 53 -1.686 -3.599 -2.637 443 H TRP 54 H TRP 54 -4.427 -6.956 -0.883 444 HA TRP 54 HA TRP 54 -2.853 -7.602 1.521 445 HD1 TRP 54 HD1 TRP 54 -5.217 -11.125 0.305 446 HE1 TRP 54 HE1 TRP 54 -7.305 -11.157 -1.211 447 HE3 TRP 54 HE3 TRP 54 -6.875 -6.337 0.973 448 HZ2 TRP 54 HZ2 TRP 54 -9.393 -9.386 -2.034 449 HZ3 TRP 54 HZ3 TRP 54 -8.911 -5.538 -0.192 450 HH2 TRP 54 HH2 TRP 54 -10.172 -7.054 -1.691 451 HB2 TRP 54 2HB TRP 54 -4.391 -9.455 2.174 452 HB3 TRP 54 1HB TRP 54 -5.174 -7.882 2.294 453 H CYS 55 H CYS 55 -1.680 -9.633 1.245 454 HA CYS 55 HA CYS 55 -1.676 -10.600 -1.589 455 HB2 CYS 55 2HB CYS 55 0.488 -10.602 0.529 456 HB3 CYS 55 1HB CYS 55 0.693 -11.134 -1.135 457 HA PRO 56 HA PRO 56 -3.090 -14.225 0.815 458 HB2 PRO 56 2HB PRO 56 -4.755 -15.198 -1.128 459 HB3 PRO 56 1HB PRO 56 -5.250 -13.950 0.032 460 HG2 PRO 56 2HG PRO 56 -4.466 -13.683 -2.813 461 HG3 PRO 56 1HG PRO 56 -5.651 -12.764 -1.874 462 HD2 PRO 56 2HD PRO 56 -3.117 -11.880 -2.518 463 HD3 PRO 56 1HD PRO 56 -4.103 -11.247 -1.196 464 H GLY 57 H GLY 57 -0.960 -15.158 0.593 465 HA2 GLY 57 2HA GLY 57 -0.527 -17.506 -0.653 466 HA3 GLY 57 1HA GLY 57 -0.217 -16.388 -1.980 467 H TRP 58 H TRP 58 1.107 -14.314 -0.743 468 HA TRP 58 HA TRP 58 3.748 -15.455 -0.308 469 HD1 TRP 58 HD1 TRP 58 5.867 -14.765 -0.435 470 HE1 TRP 58 HE1 TRP 58 7.864 -13.384 0.434 471 HE3 TRP 58 HE3 TRP 58 3.504 -10.363 0.619 472 HZ2 TRP 58 HZ2 TRP 58 8.388 -10.758 1.437 473 HZ3 TRP 58 HZ3 TRP 58 4.774 -8.440 1.527 474 HH2 TRP 58 HH2 TRP 58 7.212 -8.631 1.938 475 HB2 TRP 58 2HB TRP 58 3.306 -13.340 -1.513 476 HB3 TRP 58 1HB TRP 58 2.670 -12.628 -0.039 477 H THR 59 H THR 59 1.585 -13.459 1.740 478 HA THR 59 HA THR 59 2.623 -14.862 4.144 479 HB THR 59 HB THR 59 4.063 -12.885 3.734 480 HG1 THR 59 HG1 THR 59 3.946 -13.049 5.834 481 HG21 THR 59 3HG2 THR 59 2.397 -11.562 2.461 482 HG22 THR 59 1HG2 THR 59 3.098 -10.628 3.783 483 HG23 THR 59 2HG2 THR 59 1.479 -11.308 3.946 484 H ALA 60 H ALA 60 1.364 -13.460 6.090 485 HA ALA 60 HA ALA 60 -1.531 -13.521 5.310 486 HB1 ALA 60 3HB ALA 60 -1.824 -14.261 7.717 487 HB2 ALA 60 1HB ALA 60 -0.067 -14.337 7.840 488 HB3 ALA 60 2HB ALA 60 -0.918 -15.397 6.716 489 H ILE 61 H ILE 61 -0.566 -11.106 4.887 490 HA ILE 61 HA ILE 61 -1.216 -9.517 7.345 491 HB ILE 61 HB ILE 61 0.942 -9.172 5.241 492 HG12 ILE 61 2HG1 ILE 61 1.085 -9.244 8.272 493 HG13 ILE 61 1HG1 ILE 61 1.356 -10.649 7.242 494 HG21 ILE 61 1HG2 ILE 61 0.007 -7.196 7.347 495 HG22 ILE 61 2HG2 ILE 61 -0.059 -6.974 5.599 496 HG23 ILE 61 3HG2 ILE 61 1.499 -7.038 6.421 497 HD11 ILE 61 3HD1 ILE 61 2.909 -8.086 6.858 498 HD12 ILE 61 1HD1 ILE 61 3.303 -9.703 6.273 499 HD13 ILE 61 2HD1 ILE 61 3.440 -9.328 7.991 500 H ARG 62 H ARG 62 -2.285 -7.468 6.891 501 HA ARG 62 HA ARG 62 -3.326 -7.136 4.114 502 HE ARG 62 HE ARG 62 -6.451 -5.379 6.814 503 HB2 ARG 62 2HB ARG 62 -5.548 -6.573 5.345 504 HB3 ARG 62 1HB ARG 62 -5.105 -8.263 5.156 505 HG2 ARG 62 2HG ARG 62 -4.493 -8.489 7.409 506 HG3 ARG 62 1HG ARG 62 -4.239 -6.755 7.613 507 HD2 ARG 62 2HD ARG 62 -6.987 -7.872 7.009 508 HD3 ARG 62 1HD ARG 62 -6.382 -7.733 8.672 509 HH11 ARG 62 2HH1 ARG 62 -8.843 -5.942 8.601 510 HH12 ARG 62 1HH1 ARG 62 -8.501 -4.925 9.960 511 HH21 ARG 62 1HH2 ARG 62 -5.158 -4.474 9.112 512 HH22 ARG 62 2HH2 ARG 62 -6.404 -4.092 10.253 513 H GLY 63 H GLY 63 -4.170 -4.955 3.724 514 HA2 GLY 63 2HA GLY 63 -3.332 -2.900 5.709 515 HA3 GLY 63 1HA GLY 63 -2.710 -2.783 4.065 516 H GLU 64 H GLU 64 -4.775 -1.212 5.813 517 HA GLU 64 HA GLU 64 -6.766 -0.915 3.605 518 HB2 GLU 64 2HB GLU 64 -7.714 -0.555 6.401 519 HB3 GLU 64 1HB GLU 64 -8.537 -1.269 5.022 520 HG2 GLU 64 2HG GLU 64 -7.082 -3.294 5.256 521 HG3 GLU 64 1HG GLU 64 -6.397 -2.586 6.717 522 H ALA 65 H ALA 65 -7.625 1.236 3.420 523 HA ALA 65 HA ALA 65 -6.792 3.344 5.286 524 HB1 ALA 65 3HB ALA 65 -4.726 3.317 4.216 525 HB2 ALA 65 1HB ALA 65 -5.595 4.460 3.193 526 HB3 ALA 65 2HB ALA 65 -5.416 2.783 2.684 527 H SER 66 H SER 66 -8.245 5.034 5.138 528 HA SER 66 HA SER 66 -9.821 5.341 2.616 529 HG SER 66 HG SER 66 -10.749 3.570 5.652 530 HB2 SER 66 2HB SER 66 -11.121 5.593 5.308 531 HB3 SER 66 1HB SER 66 -11.854 5.190 3.762 532 H THR 67 H THR 67 -10.331 7.473 2.119 533 HA THR 67 HA THR 67 -10.176 9.649 4.047 534 HB THR 67 HB THR 67 -7.792 9.162 3.772 535 HG1 THR 67 HG1 THR 67 -7.166 11.205 2.872 536 HG21 THR 67 3HG2 THR 67 -6.702 9.242 1.590 537 HG22 THR 67 1HG2 THR 67 -8.242 9.601 0.808 538 HG23 THR 67 2HG2 THR 67 -7.983 8.030 1.565 539 H ARG 68 H ARG 68 -10.164 11.841 2.692 540 HA ARG 68 HA ARG 68 -12.407 11.734 0.861 541 HE ARG 68 HE ARG 68 -11.435 15.546 4.555 542 HB2 ARG 68 2HB ARG 68 -10.505 13.785 1.951 543 HB3 ARG 68 1HB ARG 68 -11.530 14.227 0.587 544 HG2 ARG 68 2HG ARG 68 -13.034 14.747 2.223 545 HG3 ARG 68 1HG ARG 68 -13.365 13.016 2.182 546 HD2 ARG 68 2HD ARG 68 -12.783 12.954 4.376 547 HD3 ARG 68 1HD ARG 68 -11.119 13.300 3.872 548 HH11 ARG 68 1HH2 ARG 68 -13.684 14.289 6.290 549 HH12 ARG 68 2HH2 ARG 68 -14.968 15.410 5.988 550 HH21 ARG 68 2HH1 ARG 68 -13.412 16.845 3.228 551 HH22 ARG 68 1HH1 ARG 68 -14.814 16.864 4.245 552 H SER 69 H SER 69 -8.893 11.908 0.429 553 HA SER 69 HA SER 69 -8.833 12.685 -2.323 554 HG SER 69 HG SER 69 -6.726 12.520 0.441 555 HB2 SER 69 2HB SER 69 -6.642 10.987 -1.822 556 HB3 SER 69 1HB SER 69 -6.676 12.736 -1.659 557 H GLN 70 H GLN 70 -8.876 11.467 -4.220 558 HA GLN 70 HA GLN 70 -10.204 8.858 -4.131 559 HB2 GLN 70 2HB GLN 70 -9.098 10.576 -6.380 560 HB3 GLN 70 1HB GLN 70 -10.110 9.150 -6.613 561 HG2 GLN 70 2HG GLN 70 -11.795 10.329 -5.041 562 HG3 GLN 70 1HG GLN 70 -10.855 11.789 -5.352 563 HE21 GLN 70 1HE2 GLN 70 -11.096 12.809 -7.413 564 HE22 GLN 70 2HE2 GLN 70 -12.144 12.228 -8.615 565 H SER 71 H SER 71 -7.058 10.044 -5.404 566 HA SER 71 HA SER 71 -6.086 7.287 -5.770 567 HG SER 71 HG SER 71 -4.580 8.492 -8.292 568 HB2 SER 71 2HB SER 71 -5.225 10.073 -6.410 569 HB3 SER 71 1HB SER 71 -3.963 8.849 -6.293 570 H GLY 72 H GLY 72 -5.737 9.948 -3.482 571 HA2 GLY 72 2HA GLY 72 -3.387 9.098 -2.121 572 HA3 GLY 72 1HA GLY 72 -4.673 10.066 -1.398 573 H VAL 73 H VAL 73 -6.803 8.153 -1.701 574 HA VAL 73 HA VAL 73 -6.467 6.581 0.668 575 HB VAL 73 HB VAL 73 -8.588 7.418 -0.572 576 HG11 VAL 73 1HG1 VAL 73 -8.361 4.735 -1.941 577 HG12 VAL 73 2HG1 VAL 73 -7.892 6.243 -2.725 578 HG13 VAL 73 3HG1 VAL 73 -9.559 5.998 -2.214 579 HG21 VAL 73 3HG2 VAL 73 -8.388 5.789 1.435 580 HG22 VAL 73 1HG2 VAL 73 -8.736 4.524 0.256 581 HG23 VAL 73 2HG2 VAL 73 -9.907 5.811 0.540 582 H ALA 74 H ALA 74 -6.043 5.792 -2.765 583 HA ALA 74 HA ALA 74 -5.654 2.954 -2.421 584 HB1 ALA 74 3HB ALA 74 -4.487 3.365 -4.727 585 HB2 ALA 74 1HB ALA 74 -5.039 5.028 -4.523 586 HB3 ALA 74 2HB ALA 74 -6.211 3.712 -4.587 587 H GLY 75 H GLY 75 -3.392 5.710 -2.684 588 HA2 GLY 75 2HA GLY 75 -0.987 4.189 -2.487 589 HA3 GLY 75 1HA GLY 75 -1.134 5.900 -2.086 590 H LYS 76 H LYS 76 -3.163 5.532 -0.025 591 HA LYS 76 HA LYS 76 -1.455 4.989 2.237 592 HB2 LYS 76 2HB LYS 76 -4.367 5.576 1.748 593 HB3 LYS 76 1HB LYS 76 -3.827 5.126 3.366 594 HG2 LYS 76 2HG LYS 76 -2.040 7.097 2.221 595 HG3 LYS 76 1HG LYS 76 -3.703 7.684 2.196 596 HD2 LYS 76 2HD LYS 76 -3.875 6.958 4.629 597 HD3 LYS 76 1HD LYS 76 -2.127 6.711 4.592 598 HE2 LYS 76 2HE LYS 76 -1.745 9.055 4.051 599 HE3 LYS 76 1HE LYS 76 -3.488 9.337 3.882 600 HZ1 LYS 76 3HZ LYS 76 -3.712 8.496 6.213 601 HZ2 LYS 76 1HZ LYS 76 -2.897 9.978 6.077 602 HZ3 LYS 76 2HZ LYS 76 -2.017 8.549 6.341 603 H THR 77 H THR 77 -4.022 3.139 0.582 604 HA THR 77 HA THR 77 -4.225 0.966 2.418 605 HB THR 77 HB THR 77 -4.646 1.338 -0.556 606 HG1 THR 77 HG1 THR 77 -6.263 2.243 0.535 607 HG21 THR 77 3HG2 THR 77 -4.955 -1.172 1.088 608 HG22 THR 77 1HG2 THR 77 -4.155 -0.973 -0.471 609 HG23 THR 77 2HG2 THR 77 -5.913 -0.898 -0.367 610 H ALA 78 H ALA 78 -2.115 1.435 -0.429 611 HA ALA 78 HA ALA 78 -0.743 -1.097 -0.161 612 HB1 ALA 78 3HB ALA 78 0.748 -0.098 -1.837 613 HB2 ALA 78 1HB ALA 78 0.113 1.506 -1.472 614 HB3 ALA 78 2HB ALA 78 -0.924 0.297 -2.230 615 H LYS 79 H LYS 79 -0.144 2.188 1.048 616 HA LYS 79 HA LYS 79 2.495 1.709 2.099 617 HB2 LYS 79 2HB LYS 79 1.207 3.903 1.622 618 HB3 LYS 79 1HB LYS 79 0.440 3.643 3.189 619 HG2 LYS 79 2HG LYS 79 3.016 3.269 3.901 620 HG3 LYS 79 1HG LYS 79 3.252 4.385 2.557 621 HD2 LYS 79 2HD LYS 79 1.084 5.081 4.467 622 HD3 LYS 79 1HD LYS 79 2.732 5.211 5.081 623 HE2 LYS 79 2HE LYS 79 3.194 7.031 3.781 624 HE3 LYS 79 1HE LYS 79 2.360 6.345 2.373 625 HZ1 LYS 79 3HZ LYS 79 1.191 8.283 3.353 626 HZ2 LYS 79 1HZ LYS 79 0.975 7.398 4.784 627 HZ3 LYS 79 2HZ LYS 79 0.251 6.867 3.340 628 H ASP 80 H ASP 80 -0.780 1.431 3.497 629 HA ASP 80 HA ASP 80 0.018 0.858 6.186 630 HB2 ASP 80 2HB ASP 80 -2.382 0.692 4.477 631 HB3 ASP 80 1HB ASP 80 -2.365 -0.479 5.795 632 H PHE 81 H PHE 81 -0.563 -1.279 3.376 633 HA PHE 81 HA PHE 81 -0.123 -3.746 4.835 634 HD1 PHE 81 HD2 PHE 81 2.148 -4.510 1.736 635 HD2 PHE 81 HD1 PHE 81 -1.671 -5.941 3.087 636 HE1 PHE 81 HE2 PHE 81 2.882 -6.846 1.339 637 HE2 PHE 81 HE1 PHE 81 -0.935 -8.274 2.686 638 HZ PHE 81 HZ PHE 81 1.339 -8.726 1.814 639 HB2 PHE 81 2HB PHE 81 -1.337 -3.607 2.697 640 HB3 PHE 81 1HB PHE 81 0.115 -3.013 1.893 641 H VAL 82 H VAL 82 1.968 -1.604 2.891 642 HA VAL 82 HA VAL 82 4.340 -3.228 3.037 643 HB VAL 82 HB VAL 82 3.787 -0.276 2.602 644 HG11 VAL 82 1HG1 VAL 82 6.403 -1.797 2.524 645 HG12 VAL 82 2HG1 VAL 82 6.035 -0.318 3.412 646 HG13 VAL 82 3HG1 VAL 82 6.167 -0.282 1.653 647 HG21 VAL 82 3HG2 VAL 82 3.150 -2.239 0.956 648 HG22 VAL 82 1HG2 VAL 82 4.873 -2.212 0.577 649 HG23 VAL 82 2HG2 VAL 82 3.893 -0.769 0.323 650 H ARG 83 H ARG 83 3.017 -0.646 5.113 651 HA ARG 83 HA ARG 83 5.290 -0.425 6.871 652 HE ARG 83 HE ARG 83 3.347 2.397 10.870 653 HB2 ARG 83 2HB ARG 83 3.123 1.032 6.467 654 HB3 ARG 83 1HB ARG 83 2.436 0.009 7.728 655 HG2 ARG 83 2HG ARG 83 5.123 1.277 8.169 656 HG3 ARG 83 1HG ARG 83 3.665 2.248 8.378 657 HD2 ARG 83 2HD ARG 83 2.831 0.234 9.839 658 HD3 ARG 83 1HD ARG 83 4.556 -0.169 9.938 659 HH11 ARG 83 2HH1 ARG 83 4.603 0.572 12.840 660 HH12 ARG 83 1HH1 ARG 83 6.203 1.215 12.996 661 HH21 ARG 83 1HH2 ARG 83 6.014 3.086 10.065 662 HH22 ARG 83 2HH2 ARG 83 7.003 2.650 11.420 663 H LYS 84 H LYS 84 2.358 -2.466 6.919 664 HA LYS 84 HA LYS 84 2.798 -3.648 9.508 665 HB2 LYS 84 2HB LYS 84 1.076 -3.964 7.158 666 HB3 LYS 84 1HB LYS 84 1.450 -5.510 7.919 667 HG2 LYS 84 2HG LYS 84 0.898 -3.615 9.991 668 HG3 LYS 84 1HG LYS 84 -0.397 -3.517 8.798 669 HD2 LYS 84 2HD LYS 84 -1.017 -5.752 9.084 670 HD3 LYS 84 1HD LYS 84 0.563 -6.211 9.719 671 HE2 LYS 84 2HE LYS 84 -0.497 -4.227 11.479 672 HE3 LYS 84 1HE LYS 84 -1.769 -5.432 11.202 673 HZ1 LYS 84 3HZ LYS 84 1.045 -5.972 12.002 674 HZ2 LYS 84 1HZ LYS 84 -0.076 -7.175 11.575 675 HZ3 LYS 84 2HZ LYS 84 -0.345 -6.214 12.951 676 H ALA 85 H ALA 85 3.825 -4.561 6.220 677 HA ALA 85 HA ALA 85 5.063 -7.069 6.973 678 HB1 ALA 85 3HB ALA 85 4.598 -6.905 4.701 679 HB2 ALA 85 1HB ALA 85 6.293 -6.416 4.687 680 HB3 ALA 85 2HB ALA 85 5.022 -5.194 4.635 681 H PHE 86 H PHE 86 6.176 -3.707 6.723 682 HA PHE 86 HA PHE 86 8.989 -4.148 7.033 683 HD1 PHE 86 HD1 PHE 86 10.717 -1.931 7.818 684 HD2 PHE 86 HD2 PHE 86 7.749 -1.527 4.737 685 HE1 PHE 86 HE1 PHE 86 12.465 -1.177 6.231 686 HE2 PHE 86 HE2 PHE 86 9.500 -0.775 3.151 687 HZ PHE 86 HZ PHE 86 11.858 -0.600 3.899 688 HB2 PHE 86 2HB PHE 86 7.079 -1.987 6.951 689 HB3 PHE 86 1HB PHE 86 8.186 -1.713 8.293 690 H GLN 87 H GLN 87 6.374 -3.621 9.418 691 HA GLN 87 HA GLN 87 8.065 -3.629 11.755 692 HB2 GLN 87 2HB GLN 87 5.215 -3.655 11.026 693 HB3 GLN 87 1HB GLN 87 5.550 -4.509 12.531 694 HG2 GLN 87 2HG GLN 87 6.822 -1.832 12.089 695 HG3 GLN 87 1HG GLN 87 5.118 -1.897 12.540 696 HE21 GLN 87 1HE2 GLN 87 8.366 -2.234 13.744 697 HE22 GLN 87 2HE2 GLN 87 7.952 -2.676 15.329 698 H LYS 88 H LYS 88 6.343 -6.199 9.985 699 HA LYS 88 HA LYS 88 6.897 -8.293 11.919 700 HB2 LYS 88 2HB LYS 88 5.890 -8.067 9.096 701 HB3 LYS 88 1HB LYS 88 6.307 -9.658 9.732 702 HG2 LYS 88 2HG LYS 88 4.796 -8.323 11.741 703 HG3 LYS 88 1HG LYS 88 3.936 -8.114 10.215 704 HD2 LYS 88 2HD LYS 88 3.730 -10.438 9.870 705 HD3 LYS 88 1HD LYS 88 5.016 -10.813 11.017 706 HE2 LYS 88 2HE LYS 88 3.144 -11.311 12.319 707 HE3 LYS 88 1HE LYS 88 3.350 -9.597 12.725 708 HZ1 LYS 88 3HZ LYS 88 1.144 -9.723 12.034 709 HZ2 LYS 88 1HZ LYS 88 1.484 -10.822 10.788 710 HZ3 LYS 88 2HZ LYS 88 1.946 -9.194 10.632 711 H GLY 89 H GLY 89 8.230 -7.659 8.651 712 HA2 GLY 89 2HA GLY 89 10.819 -7.663 8.674 713 HA3 GLY 89 1HA GLY 89 10.621 -9.258 9.395 714 H LEU 90 H LEU 90 9.009 -7.611 6.650 715 HA LEU 90 HA LEU 90 9.720 -9.980 4.960 716 HG LEU 90 HG LEU 90 7.451 -10.756 6.319 717 HB2 LEU 90 2HB LEU 90 7.193 -8.486 5.473 718 HB3 LEU 90 1HB LEU 90 7.462 -9.035 3.821 719 HD11 LEU 90 1HD1 LEU 90 5.700 -11.051 3.885 720 HD12 LEU 90 2HD1 LEU 90 5.267 -9.921 5.167 721 HD13 LEU 90 3HD1 LEU 90 5.424 -11.640 5.523 722 HD21 LEU 90 3HD2 LEU 90 8.333 -11.276 3.491 723 HD22 LEU 90 1HD2 LEU 90 7.567 -12.576 4.403 724 HD23 LEU 90 2HD2 LEU 90 9.050 -11.835 5.002 725 H ILE 91 H ILE 91 8.785 -6.517 4.798 726 HA ILE 91 HA ILE 91 10.217 -6.270 2.209 727 HB ILE 91 HB ILE 91 8.388 -4.430 3.792 728 HG12 ILE 91 2HG1 ILE 91 7.900 -5.826 1.145 729 HG13 ILE 91 1HG1 ILE 91 7.418 -6.519 2.694 730 HG21 ILE 91 1HG2 ILE 91 9.533 -4.088 1.000 731 HG22 ILE 91 2HG2 ILE 91 10.024 -3.163 2.420 732 HG23 ILE 91 3HG2 ILE 91 8.385 -3.004 1.788 733 HD11 ILE 91 3HD1 ILE 91 5.480 -5.378 2.008 734 HD12 ILE 91 1HD1 ILE 91 6.398 -4.024 1.350 735 HD13 ILE 91 2HD1 ILE 91 6.252 -4.224 3.096 736 H SER 92 H SER 92 12.414 -6.112 2.709 737 HA SER 92 HA SER 92 13.402 -4.566 4.983 738 HG SER 92 HG SER 92 15.119 -7.467 4.064 739 HB2 SER 92 2HB SER 92 14.637 -5.954 2.594 740 HB3 SER 92 1HB SER 92 15.612 -5.086 3.775 741 H GLN 93 H GLN 93 15.181 -2.855 4.450 742 HA GLN 93 HA GLN 93 13.961 -0.684 2.974 743 HB2 GLN 93 2HB GLN 93 16.687 -1.138 4.230 744 HB3 GLN 93 1HB GLN 93 16.185 0.408 3.545 745 HG2 GLN 93 2HG GLN 93 15.301 0.874 5.573 746 HG3 GLN 93 1HG GLN 93 14.047 -0.302 5.182 747 HE21 GLN 93 1HE2 GLN 93 14.053 -2.303 6.342 748 HE22 GLN 93 2HE2 GLN 93 15.212 -2.690 7.519 749 H GLN 94 H GLN 94 16.975 -2.567 2.425 750 HA GLN 94 HA GLN 94 17.529 -1.439 -0.156 751 HB2 GLN 94 2HB GLN 94 19.197 -3.189 -0.265 752 HB3 GLN 94 1HB GLN 94 19.102 -2.654 1.410 753 HG2 GLN 94 2HG GLN 94 18.889 -4.866 1.887 754 HG3 GLN 94 1HG GLN 94 17.218 -4.654 1.371 755 HE21 GLN 94 1HE2 GLN 94 18.384 -7.191 1.041 756 HE22 GLN 94 2HE2 GLN 94 18.663 -7.481 -0.607 757 H GLU 95 H GLU 95 15.473 -4.128 0.862 758 HA GLU 95 HA GLU 95 15.157 -5.349 -1.733 759 HB2 GLU 95 2HB GLU 95 14.151 -5.586 0.973 760 HB3 GLU 95 1HB GLU 95 12.825 -5.733 -0.179 761 HG2 GLU 95 2HG GLU 95 15.387 -7.222 -0.673 762 HG3 GLU 95 1HG GLU 95 14.210 -7.867 0.470 763 H ALA 96 H ALA 96 13.279 -2.890 0.054 764 HA ALA 96 HA ALA 96 11.197 -2.529 -1.876 765 HB1 ALA 96 3HB ALA 96 12.502 -0.797 0.237 766 HB2 ALA 96 1HB ALA 96 10.949 -1.629 0.323 767 HB3 ALA 96 2HB ALA 96 11.137 -0.217 -0.717 768 H ASN 97 H ASN 97 14.402 -1.017 -1.502 769 HA ASN 97 HA ASN 97 14.206 0.892 -3.625 770 HB2 ASN 97 2HB ASN 97 16.321 -0.467 -2.015 771 HB3 ASN 97 1HB ASN 97 16.844 0.315 -3.507 772 HD21 ASN 97 1HD2 ASN 97 16.420 2.674 -3.714 773 HD22 ASN 97 2HD2 ASN 97 16.178 3.617 -2.324 774 H GLN 98 H GLN 98 15.232 -2.528 -3.573 775 HA GLN 98 HA GLN 98 16.118 -2.675 -6.305 776 HB2 GLN 98 2HB GLN 98 16.031 -4.309 -4.066 777 HB3 GLN 98 1HB GLN 98 14.872 -5.083 -5.146 778 HG2 GLN 98 2HG GLN 98 16.705 -6.072 -6.055 779 HG3 GLN 98 1HG GLN 98 16.930 -4.526 -6.873 780 HE21 GLN 98 1HE2 GLN 98 18.824 -3.358 -6.369 781 HE22 GLN 98 2HE2 GLN 98 19.884 -3.765 -5.108 782 H TRP 99 H TRP 99 12.945 -3.224 -4.764 783 HA TRP 99 HA TRP 99 11.597 -4.068 -7.188 784 HD1 TRP 99 HD1 TRP 99 9.800 -5.713 -7.155 785 HE1 TRP 99 HE1 TRP 99 7.309 -5.658 -7.821 786 HE3 TRP 99 HE3 TRP 99 8.261 -1.645 -4.478 787 HZ2 TRP 99 HZ2 TRP 99 4.977 -4.092 -7.285 788 HZ3 TRP 99 HZ3 TRP 99 5.905 -0.903 -4.569 789 HH2 TRP 99 HH2 TRP 99 4.260 -2.115 -5.972 790 HB2 TRP 99 2HB TRP 99 10.929 -4.468 -4.770 791 HB3 TRP 99 1HB TRP 99 10.445 -2.776 -4.698 792 H LEU 100 H LEU 100 12.088 -0.960 -5.559 793 HA LEU 100 HA LEU 100 10.302 0.576 -7.242 794 HG LEU 100 HG LEU 100 10.628 2.413 -4.181 795 HB2 LEU 100 2HB LEU 100 12.366 1.061 -5.153 796 HB3 LEU 100 1HB LEU 100 12.069 2.395 -6.259 797 HD11 LEU 100 1HD1 LEU 100 9.187 3.613 -5.421 798 HD12 LEU 100 2HD1 LEU 100 8.558 2.157 -6.188 799 HD13 LEU 100 3HD1 LEU 100 9.972 2.968 -6.862 800 HD21 LEU 100 3HD2 LEU 100 8.642 0.836 -4.282 801 HD22 LEU 100 1HD2 LEU 100 10.178 0.066 -3.887 802 HD23 LEU 100 2HD2 LEU 100 9.515 -0.071 -5.515 803 H SER 101 H SER 101 13.765 -0.248 -7.454 804 HA SER 101 HA SER 101 14.392 1.606 -9.575 805 HG SER 101 HG SER 101 16.008 -1.725 -9.751 806 HB2 SER 101 2HB SER 101 16.456 0.348 -9.681 807 HB3 SER 101 1HB SER 101 15.977 0.441 -7.992 808 H SER 102 HN SER 102 13.452 -1.833 -9.560 809 HA SER 102 HA SER 102 13.567 -2.114 -12.459 810 HG SER 102 HG SER 102 12.174 -4.310 -12.834 811 HB2 SER 102 2HB SER 102 13.785 -3.869 -10.546 812 HB3 SER 102 1HB SER 102 12.024 -3.863 -10.542 Start of MODEL 6 1 HA GLU 1 HA GLU 1 23.086 5.116 17.697 2 H1 GLU 1 1H GLU 1 20.979 4.167 17.069 3 H2 GLU 1 2H GLU 1 20.908 5.119 15.662 4 H3 GLU 1 3H GLU 1 20.789 5.848 17.193 5 HB2 GLU 1 2HB GLU 1 22.565 3.926 15.003 6 HB3 GLU 1 1HB GLU 1 24.207 4.474 15.341 7 HG2 GLU 1 2HG GLU 1 22.719 2.732 17.305 8 HG3 GLU 1 1HG GLU 1 23.603 2.026 15.951 9 H ALA 2 H ALA 2 22.449 6.215 14.334 10 HA ALA 2 HA ALA 2 23.505 8.917 15.099 11 HB1 ALA 2 3HB ALA 2 25.186 7.414 13.970 12 HB2 ALA 2 1HB ALA 2 24.841 8.887 13.064 13 HB3 ALA 2 2HB ALA 2 24.118 7.356 12.568 14 H TYR 3 H TYR 3 23.107 10.371 12.927 15 HA TYR 3 HA TYR 3 20.229 10.566 12.630 16 HD1 TYR 3 HD2 TYR 3 19.304 13.332 11.971 17 HD2 TYR 3 HD1 TYR 3 23.105 12.643 13.851 18 HE1 TYR 3 HE2 TYR 3 18.695 14.913 13.781 19 HE2 TYR 3 HE1 TYR 3 22.495 14.225 15.660 20 HH TYR 3 HH TYR 3 20.500 16.430 15.579 21 HB2 TYR 3 2HB TYR 3 22.688 11.918 11.561 22 HB3 TYR 3 1HB TYR 3 21.146 12.235 10.767 23 H VAL 4 H VAL 4 19.333 8.765 11.580 24 HA VAL 4 HA VAL 4 20.056 8.429 8.709 25 HB VAL 4 HB VAL 4 21.386 6.800 9.948 26 HG11 VAL 4 1HG1 VAL 4 20.592 6.164 11.964 27 HG12 VAL 4 2HG1 VAL 4 19.595 5.006 11.084 28 HG13 VAL 4 3HG1 VAL 4 18.933 6.578 11.529 29 HG21 VAL 4 3HG2 VAL 4 19.966 6.180 7.813 30 HG22 VAL 4 1HG2 VAL 4 19.090 5.146 8.943 31 HG23 VAL 4 2HG2 VAL 4 20.822 4.917 8.697 32 H GLN 5 H GLN 5 17.947 9.627 8.599 33 HA GLN 5 HA GLN 5 15.541 8.001 9.299 34 HB2 GLN 5 2HB GLN 5 16.285 10.808 9.170 35 HB3 GLN 5 1HB GLN 5 14.832 10.510 8.215 36 HG2 GLN 5 2HG GLN 5 15.071 9.336 10.974 37 HG3 GLN 5 1HG GLN 5 14.596 11.023 10.776 38 HE21 GLN 5 1HE2 GLN 5 13.345 7.880 10.920 39 HE22 GLN 5 2HE2 GLN 5 11.849 8.171 10.172 40 H GLY 6 H GLY 6 13.710 8.357 7.524 41 HA2 GLY 6 2HA GLY 6 13.498 8.786 5.016 42 HA3 GLY 6 1HA GLY 6 14.944 7.795 4.859 43 H TRP 7 H TRP 7 13.444 6.232 7.280 44 HA TRP 7 HA TRP 7 12.631 3.969 5.794 45 HD1 TRP 7 HD1 TRP 7 14.906 4.735 7.904 46 HE1 TRP 7 HE1 TRP 7 16.322 2.689 8.574 47 HE3 TRP 7 HE3 TRP 7 11.198 1.291 8.633 48 HZ2 TRP 7 HZ2 TRP 7 15.936 -0.045 9.320 49 HZ3 TRP 7 HZ3 TRP 7 11.754 -1.020 9.325 50 HH2 TRP 7 HH2 TRP 7 14.115 -1.693 9.669 51 HB2 TRP 7 2HB TRP 7 12.088 5.094 8.525 52 HB3 TRP 7 1HB TRP 7 11.168 3.685 8.003 53 H GLU 8 H GLU 8 10.628 6.654 7.045 54 HA GLU 8 HA GLU 8 8.111 5.701 6.061 55 HB2 GLU 8 2HB GLU 8 9.186 8.488 6.617 56 HB3 GLU 8 1HB GLU 8 7.481 8.114 6.377 57 HG2 GLU 8 2HG GLU 8 7.391 7.757 8.608 58 HG3 GLU 8 1HG GLU 8 8.267 6.260 8.288 59 H ALA 9 H ALA 9 10.647 7.720 4.599 60 HA ALA 9 HA ALA 9 9.223 8.458 2.225 61 HB1 ALA 9 3HB ALA 9 12.203 7.999 2.499 62 HB2 ALA 9 1HB ALA 9 11.397 9.384 3.237 63 HB3 ALA 9 2HB ALA 9 11.383 9.185 1.485 64 H VAL 10 H VAL 10 11.314 5.670 3.006 65 HA VAL 10 HA VAL 10 11.312 4.517 0.366 66 HB VAL 10 HB VAL 10 11.652 3.322 3.143 67 HG11 VAL 10 1HG1 VAL 10 12.211 2.192 0.388 68 HG12 VAL 10 2HG1 VAL 10 11.167 1.511 1.635 69 HG13 VAL 10 3HG1 VAL 10 12.916 1.529 1.862 70 HG21 VAL 10 3HG2 VAL 10 13.247 5.164 2.308 71 HG22 VAL 10 1HG2 VAL 10 13.792 3.990 1.111 72 HG23 VAL 10 2HG2 VAL 10 13.991 3.653 2.830 73 H ALA 11 H ALA 11 9.218 4.088 3.218 74 HA ALA 11 HA ALA 11 7.559 2.006 2.153 75 HB1 ALA 11 3HB ALA 11 7.664 2.646 4.529 76 HB2 ALA 11 1HB ALA 11 6.008 2.795 3.945 77 HB3 ALA 11 2HB ALA 11 7.007 4.235 4.142 78 H ALA 12 H ALA 12 7.357 5.562 1.991 79 HA ALA 12 HA ALA 12 4.818 5.763 0.691 80 HB1 ALA 12 3HB ALA 12 6.095 7.597 1.803 81 HB2 ALA 12 1HB ALA 12 5.618 8.029 0.161 82 HB3 ALA 12 2HB ALA 12 7.277 7.534 0.496 83 H ALA 13 H ALA 13 8.137 5.457 -0.600 84 HA ALA 13 HA ALA 13 7.476 5.703 -3.377 85 HB1 ALA 13 3HB ALA 13 9.681 4.084 -2.061 86 HB2 ALA 13 1HB ALA 13 9.745 5.833 -2.284 87 HB3 ALA 13 2HB ALA 13 9.703 4.766 -3.687 88 H VAL 14 H VAL 14 7.602 2.890 -1.187 89 HA VAL 14 HA VAL 14 7.090 0.883 -3.188 90 HB VAL 14 HB VAL 14 6.483 0.968 -0.208 91 HG11 VAL 14 1HG1 VAL 14 6.674 -1.523 -0.393 92 HG12 VAL 14 2HG1 VAL 14 6.748 -1.352 -2.146 93 HG13 VAL 14 3HG1 VAL 14 5.293 -0.870 -1.274 94 HG21 VAL 14 3HG2 VAL 14 8.793 -0.584 -1.122 95 HG22 VAL 14 1HG2 VAL 14 8.688 0.610 0.171 96 HG23 VAL 14 2HG2 VAL 14 8.948 1.133 -1.493 97 H ALA 15 H ALA 15 4.974 2.836 -1.085 98 HA ALA 15 HA ALA 15 2.487 1.609 -1.807 99 HB1 ALA 15 3HB ALA 15 1.579 3.791 -0.937 100 HB2 ALA 15 1HB ALA 15 3.232 4.403 -0.885 101 HB3 ALA 15 2HB ALA 15 2.761 3.050 0.142 102 H SER 16 H SER 16 4.355 4.293 -3.225 103 HA SER 16 HA SER 16 2.422 5.134 -5.166 104 HG SER 16 HG SER 16 4.789 7.521 -4.709 105 HB2 SER 16 2HB SER 16 5.439 5.241 -4.960 106 HB3 SER 16 1HB SER 16 4.568 5.988 -6.297 107 H LYS 17 H LYS 17 5.047 2.710 -5.276 108 HA LYS 17 HA LYS 17 4.758 1.997 -8.037 109 HB2 LYS 17 2HB LYS 17 6.671 1.479 -6.475 110 HB3 LYS 17 1HB LYS 17 5.647 0.268 -5.703 111 HG2 LYS 17 2HG LYS 17 5.764 -1.171 -7.491 112 HG3 LYS 17 1HG LYS 17 5.857 0.134 -8.670 113 HD2 LYS 17 2HD LYS 17 8.189 0.059 -6.902 114 HD3 LYS 17 1HD LYS 17 7.986 -1.435 -7.818 115 HE2 LYS 17 2HE LYS 17 7.467 0.622 -9.674 116 HE3 LYS 17 1HE LYS 17 8.889 1.161 -8.762 117 HZ1 LYS 17 3HZ LYS 17 9.670 -0.258 -10.486 118 HZ2 LYS 17 1HZ LYS 17 8.515 -1.448 -10.138 119 HZ3 LYS 17 2HZ LYS 17 9.781 -1.148 -9.045 120 H ILE 18 H ILE 18 3.055 0.947 -5.098 121 HA ILE 18 HA ILE 18 1.711 -1.338 -6.177 122 HB ILE 18 HB ILE 18 1.251 0.638 -3.948 123 HG12 ILE 18 2HG1 ILE 18 2.921 -1.249 -3.795 124 HG13 ILE 18 1HG1 ILE 18 1.680 -1.281 -2.546 125 HG21 ILE 18 1HG2 ILE 18 -1.009 0.225 -4.502 126 HG22 ILE 18 2HG2 ILE 18 -0.662 -0.968 -3.252 127 HG23 ILE 18 3HG2 ILE 18 -0.687 -1.451 -4.948 128 HD11 ILE 18 3HD1 ILE 18 0.652 -2.727 -4.771 129 HD12 ILE 18 1HD1 ILE 18 1.110 -3.359 -3.191 130 HD13 ILE 18 2HD1 ILE 18 2.295 -3.300 -4.495 131 H VAL 19 H VAL 19 0.713 2.096 -5.941 132 HA VAL 19 HA VAL 19 -1.784 1.762 -7.351 133 HB VAL 19 HB VAL 19 0.033 4.100 -6.702 134 HG11 VAL 19 1HG1 VAL 19 -2.430 3.986 -8.388 135 HG12 VAL 19 2HG1 VAL 19 -1.047 5.075 -8.494 136 HG13 VAL 19 3HG1 VAL 19 -2.281 5.334 -7.260 137 HG21 VAL 19 3HG2 VAL 19 -1.607 4.594 -5.013 138 HG22 VAL 19 1HG2 VAL 19 -1.268 2.867 -4.891 139 HG23 VAL 19 2HG2 VAL 19 -2.741 3.423 -5.684 140 H GLY 20 H GLY 20 1.507 2.716 -8.355 141 HA2 GLY 20 2HA GLY 20 0.886 3.325 -11.086 142 HA3 GLY 20 1HA GLY 20 2.481 2.880 -10.480 143 H LEU 21 H LEU 21 1.566 0.284 -9.407 144 HA LEU 21 HA LEU 21 1.358 -1.203 -11.993 145 HG LEU 21 HG LEU 21 2.126 -3.309 -11.980 146 HB2 LEU 21 2HB LEU 21 3.310 -1.284 -10.182 147 HB3 LEU 21 1HB LEU 21 2.217 -2.420 -9.393 148 HD11 LEU 21 1HD1 LEU 21 3.837 -1.827 -12.803 149 HD12 LEU 21 2HD1 LEU 21 4.567 -3.426 -12.660 150 HD13 LEU 21 3HD1 LEU 21 4.891 -2.195 -11.439 151 HD21 LEU 21 3HD2 LEU 21 3.418 -5.165 -11.185 152 HD22 LEU 21 1HD2 LEU 21 2.551 -4.538 -9.783 153 HD23 LEU 21 2HD2 LEU 21 4.259 -4.159 -10.005 154 H TRP 22 H TRP 22 -1.013 -0.157 -10.557 155 HA TRP 22 HA TRP 22 -2.228 -2.633 -9.438 156 HD1 TRP 22 HD1 TRP 22 -4.013 -3.196 -8.068 157 HE1 TRP 22 HE1 TRP 22 -6.527 -3.146 -7.511 158 HE3 TRP 22 HE3 TRP 22 -5.016 1.723 -8.991 159 HZ2 TRP 22 HZ2 TRP 22 -8.681 -1.264 -7.459 160 HZ3 TRP 22 HZ3 TRP 22 -7.306 2.620 -8.678 161 HH2 TRP 22 HH2 TRP 22 -9.138 1.134 -7.913 162 HB2 TRP 22 2HB TRP 22 -2.304 -0.640 -8.046 163 HB3 TRP 22 1HB TRP 22 -2.992 0.301 -9.367 164 H ARG 23 H ARG 23 -3.802 -3.686 -10.547 165 HA ARG 23 HA ARG 23 -4.749 -2.585 -13.149 166 HE ARG 23 HE ARG 23 -7.885 -5.578 -14.923 167 HB2 ARG 23 2HB ARG 23 -3.649 -4.946 -12.550 168 HB3 ARG 23 1HB ARG 23 -5.311 -5.353 -12.126 169 HG2 ARG 23 2HG ARG 23 -5.554 -4.026 -14.567 170 HG3 ARG 23 1HG ARG 23 -4.097 -5.000 -14.762 171 HD2 ARG 23 2HD ARG 23 -5.292 -6.933 -14.846 172 HD3 ARG 23 1HD ARG 23 -6.271 -6.473 -13.441 173 HH11 ARG 23 2HH1 ARG 23 -6.558 -7.520 -16.942 174 HH12 ARG 23 1HH1 ARG 23 -6.390 -6.476 -18.314 175 HH21 ARG 23 1HH2 ARG 23 -6.935 -3.564 -16.491 176 HH22 ARG 23 2HH2 ARG 23 -6.611 -4.227 -18.059 177 H ASN 24 H ASN 24 -7.185 -3.984 -13.325 178 HA ASN 24 HA ASN 24 -9.121 -2.350 -12.187 179 HB2 ASN 24 2HB ASN 24 -8.991 -5.214 -13.063 180 HB3 ASN 24 1HB ASN 24 -10.466 -4.651 -12.280 181 HD21 ASN 24 1HD2 ASN 24 -11.859 -3.250 -13.481 182 HD22 ASN 24 2HD2 ASN 24 -11.534 -2.765 -15.075 183 H GLU 25 H GLU 25 -7.799 -5.350 -10.752 184 HA GLU 25 HA GLU 25 -8.308 -4.336 -8.034 185 HB2 GLU 25 2HB GLU 25 -9.793 -6.243 -7.472 186 HB3 GLU 25 1HB GLU 25 -10.486 -5.260 -8.762 187 HG2 GLU 25 2HG GLU 25 -9.915 -6.848 -10.431 188 HG3 GLU 25 1HG GLU 25 -8.788 -7.686 -9.365 189 H LYS 26 H LYS 26 -5.934 -5.176 -9.555 190 HA LYS 26 HA LYS 26 -4.957 -7.302 -7.709 191 HB2 LYS 26 2HB LYS 26 -5.885 -7.956 -10.134 192 HB3 LYS 26 1HB LYS 26 -4.261 -7.462 -10.607 193 HG2 LYS 26 2HG LYS 26 -4.461 -9.234 -8.225 194 HG3 LYS 26 1HG LYS 26 -4.845 -9.968 -9.781 195 HD2 LYS 26 2HD LYS 26 -2.532 -8.418 -10.230 196 HD3 LYS 26 1HD LYS 26 -2.256 -9.252 -8.700 197 HE2 LYS 26 2HE LYS 26 -3.297 -11.304 -10.128 198 HE3 LYS 26 1HE LYS 26 -2.535 -10.383 -11.440 199 HZ1 LYS 26 3HZ LYS 26 -0.512 -10.240 -10.070 200 HZ2 LYS 26 1HZ LYS 26 -0.912 -11.845 -10.453 201 HZ3 LYS 26 2HZ LYS 26 -1.242 -11.240 -8.902 202 H THR 27 H THR 27 -2.647 -7.233 -7.421 203 HA THR 27 HA THR 27 -1.062 -5.224 -8.907 204 HB THR 27 HB THR 27 -2.354 -4.097 -7.008 205 HG1 THR 27 HG1 THR 27 -0.728 -2.828 -7.331 206 HG21 THR 27 3HG2 THR 27 -0.390 -5.646 -5.296 207 HG22 THR 27 1HG2 THR 27 -2.114 -6.002 -5.410 208 HG23 THR 27 2HG2 THR 27 -1.574 -4.467 -4.734 209 H GLU 28 H GLU 28 1.283 -5.270 -7.971 210 HA GLU 28 HA GLU 28 1.928 -8.058 -7.047 211 HB2 GLU 28 2HB GLU 28 2.909 -6.344 -9.280 212 HB3 GLU 28 1HB GLU 28 4.114 -7.330 -8.456 213 HG2 GLU 28 2HG GLU 28 3.380 -8.812 -10.093 214 HG3 GLU 28 1HG GLU 28 2.318 -9.242 -8.753 215 H LEU 29 H LEU 29 3.525 -8.212 -5.444 216 HA LEU 29 HA LEU 29 4.742 -5.644 -4.493 217 HG LEU 29 HG LEU 29 2.387 -5.386 -3.515 218 HB2 LEU 29 2HB LEU 29 3.152 -7.751 -3.119 219 HB3 LEU 29 1HB LEU 29 4.525 -7.107 -2.222 220 HD11 LEU 29 1HD1 LEU 29 2.018 -5.020 -0.877 221 HD12 LEU 29 2HD1 LEU 29 2.590 -6.688 -0.839 222 HD13 LEU 29 3HD1 LEU 29 1.159 -6.267 -1.779 223 HD21 LEU 29 3HD2 LEU 29 3.408 -3.664 -1.966 224 HD22 LEU 29 1HD2 LEU 29 4.480 -4.199 -3.259 225 HD23 LEU 29 2HD2 LEU 29 4.692 -4.823 -1.623 226 H LEU 30 H LEU 30 6.906 -5.849 -4.898 227 HA LEU 30 HA LEU 30 9.073 -6.757 -5.012 228 HG LEU 30 HG LEU 30 10.677 -7.811 -3.773 229 HB2 LEU 30 2HB LEU 30 7.954 -7.347 -2.578 230 HB3 LEU 30 1HB LEU 30 8.401 -8.953 -3.152 231 HD11 LEU 30 1HD1 LEU 30 9.776 -6.006 -1.515 232 HD12 LEU 30 2HD1 LEU 30 9.711 -5.520 -3.209 233 HD13 LEU 30 3HD1 LEU 30 11.262 -5.895 -2.459 234 HD21 LEU 30 3HD2 LEU 30 11.530 -8.334 -1.516 235 HD22 LEU 30 1HD2 LEU 30 10.373 -9.557 -2.044 236 HD23 LEU 30 2HD2 LEU 30 9.883 -8.320 -0.886 237 H GLY 31 H GLY 31 6.843 -7.892 -6.753 238 HA2 GLY 31 2HA GLY 31 7.176 -9.432 -8.582 239 HA3 GLY 31 1HA GLY 31 8.304 -10.341 -7.577 240 H HIS 32 H HIS 32 6.106 -10.008 -5.340 241 HA HIS 32 HA HIS 32 4.834 -12.591 -5.867 242 HD1 HIS 32 HD1 HIS 32 6.149 -13.953 -4.246 243 HD2 HIS 32 HD2 HIS 32 6.919 -10.299 -2.396 244 HE1 HIS 32 HE1 HIS 32 8.462 -14.137 -3.228 245 HB2 HIS 32 2HB HIS 32 4.486 -10.555 -3.636 246 HB3 HIS 32 1HB HIS 32 3.956 -12.234 -3.589 247 H GLU 33 H GLU 33 2.567 -12.922 -6.112 248 HA GLU 33 HA GLU 33 1.115 -10.772 -7.470 249 HB2 GLU 33 2HB GLU 33 0.513 -13.632 -6.662 250 HB3 GLU 33 1HB GLU 33 -0.647 -12.629 -7.533 251 HG2 GLU 33 2HG GLU 33 0.508 -12.776 -9.491 252 HG3 GLU 33 1HG GLU 33 2.071 -12.635 -8.690 253 H CYS 34 H CYS 34 -0.573 -9.559 -6.609 254 HA CYS 34 HA CYS 34 -1.502 -10.165 -3.831 255 HB2 CYS 34 2HB CYS 34 -0.344 -7.603 -4.949 256 HB3 CYS 34 1HB CYS 34 -1.248 -7.659 -3.438 257 H LYS 35 H LYS 35 -3.483 -8.857 -3.296 258 HA LYS 35 HA LYS 35 -5.085 -8.218 -5.753 259 HB2 LYS 35 2HB LYS 35 -5.596 -10.354 -4.426 260 HB3 LYS 35 1HB LYS 35 -6.163 -9.289 -3.139 261 HG2 LYS 35 2HG LYS 35 -8.027 -8.647 -4.304 262 HG3 LYS 35 1HG LYS 35 -7.200 -8.701 -5.860 263 HD2 LYS 35 2HD LYS 35 -7.418 -11.354 -4.664 264 HD3 LYS 35 1HD LYS 35 -8.998 -10.602 -4.882 265 HE2 LYS 35 2HE LYS 35 -7.530 -10.034 -7.247 266 HE3 LYS 35 1HE LYS 35 -7.278 -11.754 -6.895 267 HZ1 LYS 35 3HZ LYS 35 -9.809 -10.302 -7.336 268 HZ2 LYS 35 1HZ LYS 35 -9.806 -11.691 -6.355 269 HZ3 LYS 35 2HZ LYS 35 -9.301 -11.794 -7.973 270 H PHE 36 H PHE 36 -4.927 -5.988 -5.710 271 HA PHE 36 HA PHE 36 -5.602 -4.559 -3.170 272 HD1 PHE 36 HD1 PHE 36 -5.747 -2.634 -2.569 273 HD2 PHE 36 HD2 PHE 36 -3.257 -1.492 -5.881 274 HE1 PHE 36 HE1 PHE 36 -6.022 -0.249 -1.957 275 HE2 PHE 36 HE2 PHE 36 -3.536 0.889 -5.268 276 HZ PHE 36 HZ PHE 36 -4.915 1.508 -3.308 277 HB2 PHE 36 2HB PHE 36 -3.423 -4.069 -4.174 278 HB3 PHE 36 1HB PHE 36 -4.178 -3.746 -5.730 279 H THR 37 H THR 37 -7.562 -3.477 -3.107 280 HA THR 37 HA THR 37 -8.949 -2.897 -5.697 281 HB THR 37 HB THR 37 -11.000 -3.545 -4.021 282 HG1 THR 37 HG1 THR 37 -8.989 -5.444 -3.428 283 HG21 THR 37 3HG2 THR 37 -11.143 -5.621 -5.247 284 HG22 THR 37 1HG2 THR 37 -9.419 -5.571 -5.619 285 HG23 THR 37 2HG2 THR 37 -10.510 -4.384 -6.334 286 H VAL 38 H VAL 38 -10.537 -1.168 -5.552 287 HA VAL 38 HA VAL 38 -10.267 0.589 -3.141 288 HB VAL 38 HB VAL 38 -10.208 1.312 -6.089 289 HG11 VAL 38 1HG1 VAL 38 -9.807 3.648 -5.187 290 HG12 VAL 38 2HG1 VAL 38 -10.297 3.045 -3.603 291 HG13 VAL 38 3HG1 VAL 38 -11.444 3.037 -4.944 292 HG21 VAL 38 3HG2 VAL 38 -8.167 1.441 -3.850 293 HG22 VAL 38 1HG2 VAL 38 -7.956 2.262 -5.397 294 HG23 VAL 38 2HG2 VAL 38 -8.061 0.502 -5.339 295 H LYS 39 H LYS 39 -12.251 1.156 -2.307 296 HA LYS 39 HA LYS 39 -14.625 1.224 -4.109 297 HB2 LYS 39 2HB LYS 39 -14.089 -1.028 -2.815 298 HB3 LYS 39 1HB LYS 39 -14.792 -0.161 -1.449 299 HG2 LYS 39 2HG LYS 39 -16.828 0.285 -2.784 300 HG3 LYS 39 1HG LYS 39 -16.128 -0.608 -4.135 301 HD2 LYS 39 2HD LYS 39 -16.001 -2.164 -1.684 302 HD3 LYS 39 1HD LYS 39 -17.658 -1.679 -2.041 303 HE2 LYS 39 2HE LYS 39 -17.712 -2.846 -4.064 304 HE3 LYS 39 1HE LYS 39 -15.950 -2.783 -4.262 305 HZ1 LYS 39 3HZ LYS 39 -16.860 -4.984 -3.495 306 HZ2 LYS 39 1HZ LYS 39 -17.272 -4.232 -2.032 307 HZ3 LYS 39 2HZ LYS 39 -15.644 -4.321 -2.511 308 HA PRO 40 HA PRO 40 -14.751 4.811 -1.307 309 HB2 PRO 40 2HB PRO 40 -16.167 6.409 -3.011 310 HB3 PRO 40 1HB PRO 40 -14.411 6.188 -3.141 311 HG2 PRO 40 2HG PRO 40 -16.595 4.947 -4.729 312 HG3 PRO 40 1HG PRO 40 -15.002 5.507 -5.249 313 HD2 PRO 40 2HD PRO 40 -15.633 2.880 -4.807 314 HD3 PRO 40 1HD PRO 40 -13.988 3.540 -4.691 315 H TYR 41 H TYR 41 -16.642 5.898 -0.273 316 HA TYR 41 HA TYR 41 -19.219 4.414 -0.640 317 HD1 TYR 41 HD1 TYR 41 -18.882 2.238 0.205 318 HD2 TYR 41 HD2 TYR 41 -16.130 4.398 2.697 319 HE1 TYR 41 HE1 TYR 41 -17.422 0.238 0.325 320 HE2 TYR 41 HE2 TYR 41 -14.672 2.399 2.815 321 HH TYR 41 HH TYR 41 -15.685 -0.686 1.831 322 HB2 TYR 41 2HB TYR 41 -18.061 5.468 1.955 323 HB3 TYR 41 1HB TYR 41 -19.463 4.425 1.765 324 H LEU 42 H LEU 42 -20.895 5.812 0.837 325 HA LEU 42 HA LEU 42 -20.569 8.695 0.102 326 HG LEU 42 HG LEU 42 -22.191 9.852 -0.795 327 HB2 LEU 42 2HB LEU 42 -22.094 6.925 -1.291 328 HB3 LEU 42 1HB LEU 42 -23.264 7.462 -0.086 329 HD11 LEU 42 1HD1 LEU 42 -22.008 8.020 -3.198 330 HD12 LEU 42 2HD1 LEU 42 -20.732 9.025 -2.512 331 HD13 LEU 42 3HD1 LEU 42 -22.099 9.776 -3.338 332 HD21 LEU 42 3HD2 LEU 42 -24.387 8.455 -2.355 333 HD22 LEU 42 1HD2 LEU 42 -24.209 10.192 -2.100 334 HD23 LEU 42 2HD2 LEU 42 -24.606 9.137 -0.743 335 H LYS 43 H LYS 43 -21.424 10.128 1.613 336 HA LYS 43 HA LYS 43 -22.616 8.933 4.089 337 HB2 LYS 43 2HB LYS 43 -20.230 10.208 3.800 338 HB3 LYS 43 1HB LYS 43 -21.277 11.586 4.135 339 HG2 LYS 43 2HG LYS 43 -20.850 11.010 6.312 340 HG3 LYS 43 1HG LYS 43 -22.167 9.869 6.032 341 HD2 LYS 43 2HD LYS 43 -20.259 8.302 5.140 342 HD3 LYS 43 1HD LYS 43 -19.204 9.362 6.075 343 HE2 LYS 43 2HE LYS 43 -19.758 7.708 7.657 344 HE3 LYS 43 1HE LYS 43 -20.976 8.952 7.997 345 HZ1 LYS 43 3HZ LYS 43 -21.581 6.411 7.393 346 HZ2 LYS 43 1HZ LYS 43 -21.645 7.110 5.849 347 HZ3 LYS 43 2HZ LYS 43 -22.618 7.723 7.099 348 H ARG 44 H ARG 44 -23.882 10.742 5.317 349 HA ARG 44 HA ARG 44 -26.221 11.474 4.058 350 HE ARG 44 HE ARG 44 -25.974 10.885 9.258 351 HB2 ARG 44 2HB ARG 44 -24.614 12.546 6.339 352 HB3 ARG 44 1HB ARG 44 -26.015 13.481 5.816 353 HG2 ARG 44 2HG ARG 44 -27.013 12.061 7.358 354 HG3 ARG 44 1HG ARG 44 -27.218 11.123 5.880 355 HD2 ARG 44 2HD ARG 44 -25.825 9.476 6.614 356 HD3 ARG 44 1HD ARG 44 -24.630 10.645 7.210 357 HH11 ARG 44 1HH2 ARG 44 -28.657 10.099 8.318 358 HH12 ARG 44 2HH2 ARG 44 -28.827 8.485 8.921 359 HH21 ARG 44 2HH1 ARG 44 -25.424 8.065 9.499 360 HH22 ARG 44 1HH1 ARG 44 -26.989 7.328 9.593 361 H PHE 45 H PHE 45 -23.177 13.310 4.006 362 HA PHE 45 HA PHE 45 -24.118 14.790 1.637 363 HD1 PHE 45 HD1 PHE 45 -24.777 14.980 5.661 364 HD2 PHE 45 HD2 PHE 45 -21.581 17.314 3.992 365 HE1 PHE 45 HE1 PHE 45 -23.661 15.035 7.874 366 HE2 PHE 45 HE2 PHE 45 -20.464 17.364 6.205 367 HZ PHE 45 HZ PHE 45 -21.504 16.226 8.146 368 HB2 PHE 45 2HB PHE 45 -23.654 16.990 2.767 369 HB3 PHE 45 1HB PHE 45 -25.010 16.116 3.473 370 H GLN 46 H GLN 46 -21.927 12.874 2.091 371 HA GLN 46 HA GLN 46 -19.731 14.479 0.978 372 HB2 GLN 46 2HB GLN 46 -19.966 14.038 3.798 373 HB3 GLN 46 1HB GLN 46 -18.575 13.130 3.214 374 HG2 GLN 46 2HG GLN 46 -17.389 15.008 2.745 375 HG3 GLN 46 1HG GLN 46 -18.793 15.837 2.074 376 HE21 GLN 46 1HE2 GLN 46 -18.697 17.803 3.262 377 HE22 GLN 46 2HE2 GLN 46 -18.792 17.877 4.955 378 H VAL 47 H VAL 47 -18.415 13.189 -0.285 379 HA VAL 47 HA VAL 47 -18.928 10.245 -0.254 380 HB VAL 47 HB VAL 47 -17.575 12.046 -2.297 381 HG11 VAL 47 1HG1 VAL 47 -17.944 10.129 -3.822 382 HG12 VAL 47 2HG1 VAL 47 -18.606 9.196 -2.480 383 HG13 VAL 47 3HG1 VAL 47 -16.910 9.681 -2.465 384 HG21 VAL 47 3HG2 VAL 47 -19.827 12.754 -2.266 385 HG22 VAL 47 1HG2 VAL 47 -20.427 11.130 -1.932 386 HG23 VAL 47 2HG2 VAL 47 -19.807 11.527 -3.534 387 H TYR 48 H TYR 48 -17.371 8.970 0.680 388 HA TYR 48 HA TYR 48 -14.619 10.112 1.004 389 HD1 TYR 48 HD2 TYR 48 -13.392 10.197 3.631 390 HD2 TYR 48 HD1 TYR 48 -17.680 10.213 3.337 391 HE1 TYR 48 HE2 TYR 48 -13.486 12.216 5.070 392 HE2 TYR 48 HE1 TYR 48 -17.771 12.229 4.777 393 HH TYR 48 HH TYR 48 -15.982 13.203 6.690 394 HB2 TYR 48 2HB TYR 48 -16.393 8.287 2.610 395 HB3 TYR 48 1HB TYR 48 -14.645 8.217 2.832 396 H TYR 49 H TYR 49 -12.851 8.853 0.332 397 HA TYR 49 HA TYR 49 -13.500 6.550 -1.433 398 HD1 TYR 49 HD2 TYR 49 -13.666 8.778 -3.127 399 HD2 TYR 49 HD1 TYR 49 -10.313 6.105 -3.367 400 HE1 TYR 49 HE2 TYR 49 -14.129 8.412 -5.535 401 HE2 TYR 49 HE1 TYR 49 -10.773 5.741 -5.775 402 HH TYR 49 HH TYR 49 -13.281 6.059 -7.234 403 HB2 TYR 49 2HB TYR 49 -11.664 8.744 -1.412 404 HB3 TYR 49 1HB TYR 49 -10.718 7.256 -1.370 405 H LYS 50 H LYS 50 -12.248 4.543 -1.221 406 HA LYS 50 HA LYS 50 -10.671 4.119 1.238 407 HB2 LYS 50 2HB LYS 50 -12.931 3.889 2.074 408 HB3 LYS 50 1HB LYS 50 -13.381 2.867 0.712 409 HG2 LYS 50 2HG LYS 50 -12.672 1.029 1.799 410 HG3 LYS 50 1HG LYS 50 -11.075 1.737 2.019 411 HD2 LYS 50 2HD LYS 50 -11.488 2.262 4.174 412 HD3 LYS 50 1HD LYS 50 -13.080 2.919 3.793 413 HE2 LYS 50 2HE LYS 50 -13.678 0.338 3.451 414 HE3 LYS 50 1HE LYS 50 -12.321 0.129 4.576 415 HZ1 LYS 50 3HZ LYS 50 -14.456 2.127 5.056 416 HZ2 LYS 50 1HZ LYS 50 -13.330 1.503 6.161 417 HZ3 LYS 50 2HZ LYS 50 -14.600 0.524 5.599 418 H GLY 51 H GLY 51 -9.418 2.179 1.100 419 HA2 GLY 51 2HA GLY 51 -9.843 0.414 -1.224 420 HA3 GLY 51 1HA GLY 51 -8.318 1.293 -1.188 421 H ARG 52 H ARG 52 -8.875 -1.627 -0.960 422 HA ARG 52 HA ARG 52 -7.335 -2.101 1.551 423 HE ARG 52 HE ARG 52 -9.644 -6.517 3.202 424 HB2 ARG 52 2HB ARG 52 -9.773 -2.456 1.933 425 HB3 ARG 52 1HB ARG 52 -9.783 -3.638 0.623 426 HG2 ARG 52 2HG ARG 52 -8.667 -5.225 1.854 427 HG3 ARG 52 1HG ARG 52 -7.746 -4.025 2.762 428 HD2 ARG 52 2HD ARG 52 -9.211 -4.213 4.476 429 HD3 ARG 52 1HD ARG 52 -10.524 -3.684 3.405 430 HH11 ARG 52 1HH2 ARG 52 -11.366 -5.203 5.600 431 HH12 ARG 52 2HH2 ARG 52 -12.913 -5.854 5.173 432 HH21 ARG 52 2HH1 ARG 52 -11.894 -6.918 2.027 433 HH22 ARG 52 1HH1 ARG 52 -13.212 -6.833 3.147 434 H MET 53 H MET 53 -5.725 -3.668 1.261 435 HA MET 53 HA MET 53 -5.846 -5.336 -1.212 436 HB2 MET 53 2HB MET 53 -3.745 -4.577 -1.935 437 HB3 MET 53 1HB MET 53 -4.490 -3.111 -1.313 438 HG2 MET 53 2HG MET 53 -2.524 -2.927 -0.164 439 HG3 MET 53 1HG MET 53 -3.319 -4.033 0.956 440 HE1 MET 53 3HE MET 53 -1.892 -4.262 -2.598 441 HE2 MET 53 1HE MET 53 -0.373 -5.147 -2.394 442 HE3 MET 53 2HE MET 53 -0.549 -3.526 -1.726 443 H TRP 54 H TRP 54 -4.478 -7.224 -1.134 444 HA TRP 54 HA TRP 54 -3.079 -7.954 1.334 445 HD1 TRP 54 HD1 TRP 54 -5.273 -11.499 -0.091 446 HE1 TRP 54 HE1 TRP 54 -7.280 -11.569 -1.707 447 HE3 TRP 54 HE3 TRP 54 -7.117 -6.780 0.578 448 HZ2 TRP 54 HZ2 TRP 54 -9.383 -9.851 -2.603 449 HZ3 TRP 54 HZ3 TRP 54 -9.120 -6.025 -0.671 450 HH2 TRP 54 HH2 TRP 54 -10.254 -7.554 -2.259 451 HB2 TRP 54 2HB TRP 54 -4.604 -9.848 1.849 452 HB3 TRP 54 1HB TRP 54 -5.439 -8.303 1.957 453 H CYS 55 H CYS 55 -1.676 -9.733 0.978 454 HA CYS 55 HA CYS 55 -1.604 -10.726 -1.848 455 HB2 CYS 55 2HB CYS 55 0.565 -10.446 0.245 456 HB3 CYS 55 1HB CYS 55 0.819 -10.978 -1.413 457 HA PRO 56 HA PRO 56 -2.512 -14.488 0.594 458 HB2 PRO 56 2HB PRO 56 -4.082 -15.668 -1.315 459 HB3 PRO 56 1HB PRO 56 -4.708 -14.491 -0.144 460 HG2 PRO 56 2HG PRO 56 -4.013 -14.127 -3.004 461 HG3 PRO 56 1HG PRO 56 -5.295 -13.373 -2.046 462 HD2 PRO 56 2HD PRO 56 -2.920 -12.153 -2.725 463 HD3 PRO 56 1HD PRO 56 -3.947 -11.672 -1.373 464 H GLY 57 H GLY 57 -0.213 -14.965 0.236 465 HA2 GLY 57 2HA GLY 57 0.416 -17.303 -1.111 466 HA3 GLY 57 1HA GLY 57 0.717 -16.035 -2.299 467 H TRP 58 H TRP 58 1.772 -13.997 -0.834 468 HA TRP 58 HA TRP 58 4.449 -14.974 -0.198 469 HD1 TRP 58 HD1 TRP 58 6.324 -14.439 0.052 470 HE1 TRP 58 HE1 TRP 58 8.414 -13.044 0.617 471 HE3 TRP 58 HE3 TRP 58 4.283 -9.755 0.072 472 HZ2 TRP 58 HZ2 TRP 58 9.131 -10.304 1.021 473 HZ3 TRP 58 HZ3 TRP 58 5.693 -7.774 0.551 474 HH2 TRP 58 HH2 TRP 58 8.113 -8.043 1.026 475 HB2 TRP 58 2HB TRP 58 3.777 -12.800 -1.357 476 HB3 TRP 58 1HB TRP 58 3.258 -12.216 0.217 477 H THR 59 H THR 59 1.765 -13.491 1.618 478 HA THR 59 HA THR 59 2.683 -14.800 4.095 479 HB THR 59 HB THR 59 3.967 -12.684 3.936 480 HG1 THR 59 HG1 THR 59 3.582 -13.002 5.998 481 HG21 THR 59 3HG2 THR 59 2.450 -11.406 2.515 482 HG22 THR 59 1HG2 THR 59 2.716 -10.525 4.020 483 HG23 THR 59 2HG2 THR 59 1.216 -11.417 3.774 484 H ALA 60 H ALA 60 1.053 -13.739 5.914 485 HA ALA 60 HA ALA 60 -1.700 -13.912 4.738 486 HB1 ALA 60 3HB ALA 60 -1.018 -15.856 6.090 487 HB2 ALA 60 1HB ALA 60 -2.282 -14.955 6.927 488 HB3 ALA 60 2HB ALA 60 -0.600 -14.791 7.431 489 H ILE 61 H ILE 61 -0.515 -11.414 4.812 490 HA ILE 61 HA ILE 61 -1.752 -10.084 7.199 491 HB ILE 61 HB ILE 61 0.652 -9.393 5.475 492 HG12 ILE 61 2HG1 ILE 61 0.490 -9.911 8.457 493 HG13 ILE 61 1HG1 ILE 61 0.844 -11.181 7.286 494 HG21 ILE 61 1HG2 ILE 61 -0.772 -7.822 7.631 495 HG22 ILE 61 2HG2 ILE 61 -0.346 -7.295 6.003 496 HG23 ILE 61 3HG2 ILE 61 0.915 -7.523 7.215 497 HD11 ILE 61 3HD1 ILE 61 2.963 -10.361 8.061 498 HD12 ILE 61 1HD1 ILE 61 2.463 -8.683 7.844 499 HD13 ILE 61 2HD1 ILE 61 2.739 -9.710 6.437 500 H ARG 62 H ARG 62 -2.812 -8.025 6.755 501 HA ARG 62 HA ARG 62 -3.457 -7.515 3.883 502 HE ARG 62 HE ARG 62 -5.994 -7.938 9.015 503 HB2 ARG 62 2HB ARG 62 -5.818 -6.955 4.967 504 HB3 ARG 62 1HB ARG 62 -5.402 -8.603 4.517 505 HG2 ARG 62 2HG ARG 62 -5.026 -9.253 6.737 506 HG3 ARG 62 1HG ARG 62 -4.741 -7.596 7.273 507 HD2 ARG 62 2HD ARG 62 -7.286 -7.304 6.461 508 HD3 ARG 62 1HD ARG 62 -7.328 -9.033 6.865 509 HH11 ARG 62 2HH1 ARG 62 -7.587 -5.430 8.235 510 HH12 ARG 62 1HH1 ARG 62 -8.975 -5.593 9.260 511 HH21 ARG 62 1HH2 ARG 62 -8.376 -8.944 9.978 512 HH22 ARG 62 2HH2 ARG 62 -9.423 -7.591 10.248 513 H GLY 63 H GLY 63 -4.249 -5.311 3.499 514 HA2 GLY 63 2HA GLY 63 -3.667 -3.368 5.680 515 HA3 GLY 63 1HA GLY 63 -2.845 -3.172 4.133 516 H GLU 64 H GLU 64 -4.837 -1.402 5.484 517 HA GLU 64 HA GLU 64 -6.600 -1.018 3.135 518 HB2 GLU 64 2HB GLU 64 -7.712 -2.579 4.769 519 HB3 GLU 64 1HB GLU 64 -7.693 -1.278 5.952 520 HG2 GLU 64 2HG GLU 64 -8.770 -0.371 3.409 521 HG3 GLU 64 1HG GLU 64 -9.664 -1.763 4.008 522 H ALA 65 H ALA 65 -7.563 1.093 3.117 523 HA ALA 65 HA ALA 65 -6.850 3.041 5.213 524 HB1 ALA 65 3HB ALA 65 -5.720 3.338 2.418 525 HB2 ALA 65 1HB ALA 65 -4.806 2.644 3.756 526 HB3 ALA 65 2HB ALA 65 -5.347 4.318 3.835 527 H SER 66 H SER 66 -8.099 4.948 5.042 528 HA SER 66 HA SER 66 -9.837 5.253 2.636 529 HG SER 66 HG SER 66 -10.369 3.397 5.442 530 HB2 SER 66 2HB SER 66 -11.516 5.856 4.748 531 HB3 SER 66 1HB SER 66 -11.514 4.342 3.856 532 H THR 67 H THR 67 -10.298 7.385 2.123 533 HA THR 67 HA THR 67 -10.030 9.589 4.001 534 HB THR 67 HB THR 67 -7.656 8.933 3.636 535 HG1 THR 67 HG1 THR 67 -6.965 11.010 3.017 536 HG21 THR 67 3HG2 THR 67 -8.207 8.143 1.220 537 HG22 THR 67 1HG2 THR 67 -6.641 8.896 1.518 538 HG23 THR 67 2HG2 THR 67 -7.943 9.827 0.775 539 H ARG 68 H ARG 68 -9.983 11.754 2.626 540 HA ARG 68 HA ARG 68 -12.225 11.664 0.779 541 HE ARG 68 HE ARG 68 -11.178 16.028 3.418 542 HB2 ARG 68 2HB ARG 68 -10.277 13.765 1.748 543 HB3 ARG 68 1HB ARG 68 -11.529 14.143 0.565 544 HG2 ARG 68 2HG ARG 68 -13.080 12.904 2.351 545 HG3 ARG 68 1HG ARG 68 -11.805 13.423 3.454 546 HD2 ARG 68 2HD ARG 68 -12.715 15.507 1.551 547 HD3 ARG 68 1HD ARG 68 -13.915 15.010 2.759 548 HH11 ARG 68 1HH2 ARG 68 -14.063 17.253 3.886 549 HH12 ARG 68 2HH2 ARG 68 -14.160 17.077 5.606 550 HH21 ARG 68 2HH1 ARG 68 -11.445 14.915 5.803 551 HH22 ARG 68 1HH1 ARG 68 -12.673 15.748 6.696 552 H SER 69 H SER 69 -8.703 11.978 0.423 553 HA SER 69 HA SER 69 -8.579 12.705 -2.326 554 HG SER 69 HG SER 69 -6.179 12.630 0.326 555 HB2 SER 69 2HB SER 69 -6.448 10.907 -1.633 556 HB3 SER 69 1HB SER 69 -6.392 12.660 -1.760 557 H GLN 70 H GLN 70 -8.806 11.515 -4.200 558 HA GLN 70 HA GLN 70 -10.072 8.903 -4.090 559 HB2 GLN 70 2HB GLN 70 -9.091 10.799 -6.216 560 HB3 GLN 70 1HB GLN 70 -9.662 9.192 -6.659 561 HG2 GLN 70 2HG GLN 70 -11.761 10.010 -6.608 562 HG3 GLN 70 1HG GLN 70 -11.586 10.173 -4.861 563 HE21 GLN 70 1HE2 GLN 70 -11.333 12.304 -3.992 564 HE22 GLN 70 2HE2 GLN 70 -11.337 13.701 -4.957 565 H SER 71 H SER 71 -6.982 9.951 -5.612 566 HA SER 71 HA SER 71 -6.029 7.191 -5.796 567 HG SER 71 HG SER 71 -4.748 7.778 -8.150 568 HB2 SER 71 2HB SER 71 -5.064 9.944 -6.484 569 HB3 SER 71 1HB SER 71 -3.885 8.637 -6.419 570 H GLY 72 H GLY 72 -5.630 9.908 -3.585 571 HA2 GLY 72 2HA GLY 72 -3.283 9.089 -2.214 572 HA3 GLY 72 1HA GLY 72 -4.572 10.057 -1.500 573 H VAL 73 H VAL 73 -6.685 8.097 -1.782 574 HA VAL 73 HA VAL 73 -6.325 6.589 0.621 575 HB VAL 73 HB VAL 73 -8.440 7.347 -0.812 576 HG11 VAL 73 1HG1 VAL 73 -9.467 5.442 -1.985 577 HG12 VAL 73 2HG1 VAL 73 -8.023 4.475 -1.693 578 HG13 VAL 73 3HG1 VAL 73 -7.940 5.890 -2.742 579 HG21 VAL 73 3HG2 VAL 73 -9.770 5.977 0.585 580 HG22 VAL 73 1HG2 VAL 73 -8.266 6.184 1.482 581 HG23 VAL 73 2HG2 VAL 73 -8.570 4.687 0.602 582 H ALA 74 H ALA 74 -5.898 5.696 -2.799 583 HA ALA 74 HA ALA 74 -5.448 2.887 -2.356 584 HB1 ALA 74 3HB ALA 74 -4.373 3.118 -4.659 585 HB2 ALA 74 1HB ALA 74 -4.657 4.853 -4.527 586 HB3 ALA 74 2HB ALA 74 -6.021 3.734 -4.543 587 H GLY 75 H GLY 75 -3.231 5.675 -2.645 588 HA2 GLY 75 2HA GLY 75 -0.809 4.183 -2.325 589 HA3 GLY 75 1HA GLY 75 -0.985 5.909 -2.010 590 H LYS 76 H LYS 76 -3.053 5.687 -0.018 591 HA LYS 76 HA LYS 76 -1.507 5.326 2.355 592 HB2 LYS 76 2HB LYS 76 -3.634 6.701 1.911 593 HB3 LYS 76 1HB LYS 76 -4.521 5.191 2.114 594 HG2 LYS 76 2HG LYS 76 -4.537 6.176 4.271 595 HG3 LYS 76 1HG LYS 76 -3.266 4.957 4.354 596 HD2 LYS 76 2HD LYS 76 -2.251 7.511 3.372 597 HD3 LYS 76 1HD LYS 76 -2.989 7.667 4.967 598 HE2 LYS 76 2HE LYS 76 -1.521 6.049 5.927 599 HE3 LYS 76 1HE LYS 76 -0.999 5.468 4.333 600 HZ1 LYS 76 3HZ LYS 76 -0.050 7.631 3.870 601 HZ2 LYS 76 1HZ LYS 76 0.615 7.020 5.305 602 HZ3 LYS 76 2HZ LYS 76 -0.578 8.226 5.373 603 H THR 77 H THR 77 -3.844 3.176 0.698 604 HA THR 77 HA THR 77 -3.887 1.105 2.680 605 HB THR 77 HB THR 77 -4.272 1.107 -0.335 606 HG1 THR 77 HG1 THR 77 -6.139 1.900 0.160 607 HG21 THR 77 3HG2 THR 77 -5.113 -0.971 1.705 608 HG22 THR 77 1HG2 THR 77 -3.809 -1.168 0.534 609 HG23 THR 77 2HG2 THR 77 -5.475 -1.007 -0.019 610 H ALA 78 H ALA 78 -1.861 1.617 -0.212 611 HA ALA 78 HA ALA 78 -0.289 -0.778 0.071 612 HB1 ALA 78 3HB ALA 78 1.110 0.305 -1.593 613 HB2 ALA 78 1HB ALA 78 0.469 1.889 -1.160 614 HB3 ALA 78 2HB ALA 78 -0.568 0.707 -1.958 615 H LYS 79 H LYS 79 0.101 2.555 1.274 616 HA LYS 79 HA LYS 79 2.716 2.215 2.428 617 HB2 LYS 79 2HB LYS 79 1.298 4.327 1.890 618 HB3 LYS 79 1HB LYS 79 0.541 4.043 3.457 619 HG2 LYS 79 2HG LYS 79 3.507 3.943 3.432 620 HG3 LYS 79 1HG LYS 79 2.795 5.529 3.136 621 HD2 LYS 79 2HD LYS 79 2.032 5.720 5.267 622 HD3 LYS 79 1HD LYS 79 1.525 4.032 5.336 623 HE2 LYS 79 2HE LYS 79 4.195 3.651 5.338 624 HE3 LYS 79 1HE LYS 79 4.139 5.253 6.099 625 HZ1 LYS 79 3HZ LYS 79 2.250 4.293 7.486 626 HZ2 LYS 79 1HZ LYS 79 3.816 3.760 7.860 627 HZ3 LYS 79 2HZ LYS 79 2.774 2.767 6.956 628 H ASP 80 H ASP 80 -0.584 1.747 3.709 629 HA ASP 80 HA ASP 80 0.217 1.184 6.427 630 HB2 ASP 80 2HB ASP 80 -2.221 0.874 4.708 631 HB3 ASP 80 1HB ASP 80 -2.170 -0.022 6.223 632 H PHE 81 H PHE 81 -0.064 -0.797 3.511 633 HA PHE 81 HA PHE 81 0.149 -3.340 4.939 634 HD1 PHE 81 HD1 PHE 81 2.297 -4.404 1.775 635 HD2 PHE 81 HD2 PHE 81 -1.600 -5.238 3.382 636 HE1 PHE 81 HE1 PHE 81 2.687 -6.833 1.466 637 HE2 PHE 81 HE2 PHE 81 -1.207 -7.666 3.071 638 HZ PHE 81 HZ PHE 81 0.936 -8.465 2.114 639 HB2 PHE 81 2HB PHE 81 -0.976 -2.977 2.722 640 HB3 PHE 81 1HB PHE 81 0.604 -2.633 2.019 641 H VAL 82 H VAL 82 2.382 -1.086 3.338 642 HA VAL 82 HA VAL 82 4.680 -2.838 3.377 643 HB VAL 82 HB VAL 82 4.300 0.167 3.189 644 HG11 VAL 82 1HG1 VAL 82 6.792 -1.529 3.080 645 HG12 VAL 82 2HG1 VAL 82 6.529 -0.009 3.934 646 HG13 VAL 82 3HG1 VAL 82 6.694 -0.017 2.178 647 HG21 VAL 82 3HG2 VAL 82 4.294 -0.129 0.893 648 HG22 VAL 82 1HG2 VAL 82 3.574 -1.663 1.384 649 HG23 VAL 82 2HG2 VAL 82 5.287 -1.584 0.974 650 H ARG 83 H ARG 83 3.429 -0.373 5.655 651 HA ARG 83 HA ARG 83 5.722 -0.509 7.429 652 HE ARG 83 HE ARG 83 1.462 1.644 10.337 653 HB2 ARG 83 2HB ARG 83 4.298 0.797 8.912 654 HB3 ARG 83 1HB ARG 83 4.073 1.365 7.264 655 HG2 ARG 83 2HG ARG 83 1.863 1.180 7.849 656 HG3 ARG 83 1HG ARG 83 2.126 -0.480 7.330 657 HD2 ARG 83 2HD ARG 83 1.603 -1.201 9.412 658 HD3 ARG 83 1HD ARG 83 2.965 -0.270 10.068 659 HH11 ARG 83 1HH2 ARG 83 -0.004 -0.576 11.749 660 HH12 ARG 83 2HH2 ARG 83 -1.598 -0.425 11.091 661 HH21 ARG 83 2HH1 ARG 83 -0.592 1.540 8.411 662 HH22 ARG 83 1HH1 ARG 83 -1.933 0.775 9.194 663 H LYS 84 H LYS 84 2.623 -2.221 7.251 664 HA LYS 84 HA LYS 84 2.826 -3.621 9.759 665 HB2 LYS 84 2HB LYS 84 1.142 -3.513 7.410 666 HB3 LYS 84 1HB LYS 84 1.449 -5.197 7.831 667 HG2 LYS 84 2HG LYS 84 0.974 -4.010 10.294 668 HG3 LYS 84 1HG LYS 84 -0.174 -3.201 9.226 669 HD2 LYS 84 2HD LYS 84 -0.825 -5.513 8.375 670 HD3 LYS 84 1HD LYS 84 0.118 -6.173 9.711 671 HE2 LYS 84 2HE LYS 84 -1.307 -4.565 11.207 672 HE3 LYS 84 1HE LYS 84 -2.418 -4.544 9.822 673 HZ1 LYS 84 3HZ LYS 84 -2.327 -6.995 9.813 674 HZ2 LYS 84 1HZ LYS 84 -2.983 -6.381 11.251 675 HZ3 LYS 84 2HZ LYS 84 -1.386 -6.955 11.228 676 H ALA 85 H ALA 85 3.891 -4.398 6.440 677 HA ALA 85 HA ALA 85 4.915 -7.029 7.076 678 HB1 ALA 85 3HB ALA 85 4.569 -6.746 4.806 679 HB2 ALA 85 1HB ALA 85 6.272 -6.294 4.864 680 HB3 ALA 85 2HB ALA 85 5.028 -5.044 4.847 681 H PHE 86 H PHE 86 6.247 -3.745 7.137 682 HA PHE 86 HA PHE 86 9.022 -4.410 7.451 683 HD1 PHE 86 HD1 PHE 86 10.880 -2.972 8.187 684 HD2 PHE 86 HD2 PHE 86 8.060 -0.941 5.660 685 HE1 PHE 86 HE1 PHE 86 12.733 -2.216 6.723 686 HE2 PHE 86 HE2 PHE 86 9.913 -0.188 4.196 687 HZ PHE 86 HZ PHE 86 12.251 -0.824 4.728 688 HB2 PHE 86 2HB PHE 86 7.281 -2.112 7.502 689 HB3 PHE 86 1HB PHE 86 8.352 -2.034 8.897 690 H GLN 87 H GLN 87 6.373 -3.911 9.801 691 HA GLN 87 HA GLN 87 7.954 -4.163 12.185 692 HB2 GLN 87 2HB GLN 87 5.069 -4.371 11.387 693 HB3 GLN 87 1HB GLN 87 5.530 -4.882 13.010 694 HG2 GLN 87 2HG GLN 87 6.110 -2.751 13.671 695 HG3 GLN 87 1HG GLN 87 6.608 -2.271 12.049 696 HE21 GLN 87 1HE2 GLN 87 3.523 -3.372 13.607 697 HE22 GLN 87 2HE2 GLN 87 2.567 -2.178 12.868 698 H LYS 88 H LYS 88 6.290 -6.579 10.151 699 HA LYS 88 HA LYS 88 6.858 -8.787 11.987 700 HB2 LYS 88 2HB LYS 88 5.212 -8.238 9.737 701 HB3 LYS 88 1HB LYS 88 6.246 -9.593 9.284 702 HG2 LYS 88 2HG LYS 88 4.753 -9.509 11.914 703 HG3 LYS 88 1HG LYS 88 4.053 -10.202 10.452 704 HD2 LYS 88 2HD LYS 88 5.866 -11.814 10.283 705 HD3 LYS 88 1HD LYS 88 6.707 -11.063 11.640 706 HE2 LYS 88 2HE LYS 88 4.471 -11.554 12.947 707 HE3 LYS 88 1HE LYS 88 4.216 -12.754 11.665 708 HZ1 LYS 88 3HZ LYS 88 6.470 -13.590 12.081 709 HZ2 LYS 88 1HZ LYS 88 5.489 -13.734 13.459 710 HZ3 LYS 88 2HZ LYS 88 6.643 -12.490 13.366 711 H GLY 89 H GLY 89 8.019 -7.945 8.690 712 HA2 GLY 89 2HA GLY 89 10.607 -7.991 8.599 713 HA3 GLY 89 1HA GLY 89 10.410 -9.635 9.194 714 H LEU 90 H LEU 90 8.760 -7.722 6.643 715 HA LEU 90 HA LEU 90 9.351 -9.974 4.754 716 HG LEU 90 HG LEU 90 7.137 -10.772 6.158 717 HB2 LEU 90 2HB LEU 90 6.875 -8.449 5.426 718 HB3 LEU 90 1HB LEU 90 7.091 -8.931 3.744 719 HD11 LEU 90 1HD1 LEU 90 5.239 -10.930 3.831 720 HD12 LEU 90 2HD1 LEU 90 4.921 -9.796 5.145 721 HD13 LEU 90 3HD1 LEU 90 5.031 -11.525 5.478 722 HD21 LEU 90 3HD2 LEU 90 8.660 -11.745 4.636 723 HD22 LEU 90 1HD2 LEU 90 7.744 -11.199 3.231 724 HD23 LEU 90 2HD2 LEU 90 7.132 -12.521 4.225 725 H ILE 91 H ILE 91 8.566 -6.469 4.905 726 HA ILE 91 HA ILE 91 9.999 -6.107 2.313 727 HB ILE 91 HB ILE 91 8.060 -4.366 3.877 728 HG12 ILE 91 2HG1 ILE 91 7.645 -5.669 1.178 729 HG13 ILE 91 1HG1 ILE 91 7.223 -6.490 2.680 730 HG21 ILE 91 1HG2 ILE 91 9.634 -2.982 2.605 731 HG22 ILE 91 2HG2 ILE 91 8.050 -2.951 1.829 732 HG23 ILE 91 3HG2 ILE 91 9.342 -3.948 1.158 733 HD11 ILE 91 3HD1 ILE 91 5.923 -4.315 3.250 734 HD12 ILE 91 1HD1 ILE 91 5.216 -5.420 2.072 735 HD13 ILE 91 2HD1 ILE 91 6.052 -3.966 1.526 736 H SER 92 H SER 92 12.177 -5.949 2.988 737 HA SER 92 HA SER 92 12.962 -4.372 5.321 738 HG SER 92 HG SER 92 15.927 -5.841 5.156 739 HB2 SER 92 2HB SER 92 14.074 -6.442 4.233 740 HB3 SER 92 1HB SER 92 14.743 -5.305 3.068 741 H GLN 93 H GLN 93 14.961 -2.788 4.738 742 HA GLN 93 HA GLN 93 13.794 -0.491 3.424 743 HB2 GLN 93 2HB GLN 93 15.364 -0.437 5.350 744 HB3 GLN 93 1HB GLN 93 16.639 -1.079 4.317 745 HG2 GLN 93 2HG GLN 93 15.251 1.331 3.286 746 HG3 GLN 93 1HG GLN 93 16.243 1.579 4.722 747 HE21 GLN 93 1HE2 GLN 93 16.453 1.736 1.425 748 HE22 GLN 93 2HE2 GLN 93 18.095 1.361 1.220 749 H GLN 94 H GLN 94 16.773 -2.331 2.597 750 HA GLN 94 HA GLN 94 17.086 -1.158 0.003 751 HB2 GLN 94 2HB GLN 94 18.731 -2.946 -0.299 752 HB3 GLN 94 1HB GLN 94 18.837 -2.323 1.345 753 HG2 GLN 94 2HG GLN 94 17.309 -4.217 2.059 754 HG3 GLN 94 1HG GLN 94 17.497 -4.885 0.438 755 HE21 GLN 94 1HE2 GLN 94 19.737 -5.527 -0.223 756 HE22 GLN 94 2HE2 GLN 94 20.886 -5.904 0.968 757 H GLU 95 H GLU 95 15.317 -4.039 1.095 758 HA GLU 95 HA GLU 95 14.776 -5.255 -1.418 759 HB2 GLU 95 2HB GLU 95 13.883 -5.351 1.339 760 HB3 GLU 95 1HB GLU 95 12.515 -5.555 0.247 761 HG2 GLU 95 2HG GLU 95 13.615 -7.391 -0.888 762 HG3 GLU 95 1HG GLU 95 15.100 -7.120 0.024 763 H ALA 96 H ALA 96 12.986 -2.694 0.336 764 HA ALA 96 HA ALA 96 10.825 -2.439 -1.529 765 HB1 ALA 96 3HB ALA 96 10.409 -1.350 0.467 766 HB2 ALA 96 1HB ALA 96 11.040 0.027 -0.437 767 HB3 ALA 96 2HB ALA 96 12.092 -0.861 0.665 768 H ASN 97 H ASN 97 14.030 -0.890 -1.361 769 HA ASN 97 HA ASN 97 13.619 0.914 -3.584 770 HB2 ASN 97 2HB ASN 97 15.489 0.533 -1.609 771 HB3 ASN 97 1HB ASN 97 16.347 -0.086 -3.021 772 HD21 ASN 97 1HD2 ASN 97 15.968 1.504 -5.076 773 HD22 ASN 97 2HD2 ASN 97 16.186 3.150 -4.724 774 H GLN 98 H GLN 98 14.874 -2.401 -3.283 775 HA GLN 98 HA GLN 98 15.840 -2.709 -5.963 776 HB2 GLN 98 2HB GLN 98 14.728 -4.622 -3.886 777 HB3 GLN 98 1HB GLN 98 15.467 -5.167 -5.391 778 HG2 GLN 98 2HG GLN 98 16.982 -3.213 -3.702 779 HG3 GLN 98 1HG GLN 98 16.921 -4.895 -3.178 780 HE21 GLN 98 1HE2 GLN 98 17.742 -6.551 -4.761 781 HE22 GLN 98 2HE2 GLN 98 18.890 -6.088 -5.922 782 H TRP 99 H TRP 99 12.640 -3.336 -4.490 783 HA TRP 99 HA TRP 99 11.372 -4.366 -6.856 784 HD1 TRP 99 HD1 TRP 99 9.429 -5.520 -7.156 785 HE1 TRP 99 HE1 TRP 99 6.934 -5.324 -7.768 786 HE3 TRP 99 HE3 TRP 99 8.030 -1.774 -3.984 787 HZ2 TRP 99 HZ2 TRP 99 4.650 -3.783 -7.009 788 HZ3 TRP 99 HZ3 TRP 99 5.696 -0.967 -3.947 789 HH2 TRP 99 HH2 TRP 99 4.001 -1.965 -5.456 790 HB2 TRP 99 2HB TRP 99 10.537 -4.537 -4.509 791 HB3 TRP 99 1HB TRP 99 10.230 -2.801 -4.514 792 H LEU 100 H LEU 100 11.684 -1.091 -5.500 793 HA LEU 100 HA LEU 100 10.080 0.326 -7.384 794 HG LEU 100 HG LEU 100 9.884 0.709 -4.944 795 HB2 LEU 100 2HB LEU 100 12.409 0.975 -5.589 796 HB3 LEU 100 1HB LEU 100 11.813 2.197 -6.710 797 HD11 LEU 100 1HD1 LEU 100 11.656 1.627 -3.470 798 HD12 LEU 100 2HD1 LEU 100 10.124 2.473 -3.253 799 HD13 LEU 100 3HD1 LEU 100 11.417 3.218 -4.194 800 HD21 LEU 100 3HD2 LEU 100 9.280 3.462 -5.290 801 HD22 LEU 100 1HD2 LEU 100 8.462 2.083 -6.025 802 HD23 LEU 100 2HD2 LEU 100 9.804 2.861 -6.863 803 H SER 101 H SER 101 13.491 -0.690 -7.526 804 HA SER 101 HA SER 101 14.201 0.728 -9.922 805 HG SER 101 HG SER 101 16.161 -0.546 -7.341 806 HB2 SER 101 2HB SER 101 15.224 -1.842 -8.673 807 HB3 SER 101 1HB SER 101 16.057 -0.954 -9.944 808 H SER 102 HN SER 102 12.826 -2.514 -9.354 809 HA SER 102 HA SER 102 11.795 -4.043 -10.817 810 HG SER 102 HG SER 102 9.681 -3.633 -11.773 811 HB2 SER 102 2HB SER 102 11.312 -1.322 -11.824 812 HB3 SER 102 1HB SER 102 11.171 -2.557 -13.071 Start of MODEL 7 1 HA GLU 1 HA GLU 1 15.734 11.569 0.288 2 H1 GLU 1 1H GLU 1 15.833 9.456 1.542 3 H2 GLU 1 2H GLU 1 14.595 9.458 0.378 4 H3 GLU 1 3H GLU 1 14.220 9.675 2.021 5 HB2 GLU 1 2HB GLU 1 12.940 11.314 1.374 6 HB3 GLU 1 1HB GLU 1 13.606 12.922 1.087 7 HG2 GLU 1 2HG GLU 1 12.767 12.570 -1.017 8 HG3 GLU 1 1HG GLU 1 14.301 11.731 -1.240 9 H ALA 2 H ALA 2 14.012 11.429 3.445 10 HA ALA 2 HA ALA 2 16.222 13.086 4.619 11 HB1 ALA 2 3HB ALA 2 13.276 12.735 5.240 12 HB2 ALA 2 1HB ALA 2 14.087 14.192 4.666 13 HB3 ALA 2 2HB ALA 2 14.374 13.611 6.307 14 H TYR 3 H TYR 3 16.071 12.639 7.234 15 HA TYR 3 HA TYR 3 16.601 9.713 7.527 16 HD1 TYR 3 HD1 TYR 3 18.202 8.700 9.674 17 HD2 TYR 3 HD2 TYR 3 19.649 11.799 7.074 18 HE1 TYR 3 HE1 TYR 3 20.176 7.309 9.115 19 HE2 TYR 3 HE2 TYR 3 21.623 10.406 6.515 20 HH TYR 3 HH TYR 3 21.897 7.441 6.717 21 HB2 TYR 3 2HB TYR 3 17.775 12.208 8.447 22 HB3 TYR 3 1HB TYR 3 17.420 11.154 9.815 23 H VAL 4 H VAL 4 16.318 9.456 10.273 24 HA VAL 4 HA VAL 4 14.774 9.143 12.020 25 HB VAL 4 HB VAL 4 13.167 11.266 10.552 26 HG11 VAL 4 1HG1 VAL 4 12.202 11.700 12.755 27 HG12 VAL 4 2HG1 VAL 4 13.230 10.461 13.475 28 HG13 VAL 4 3HG1 VAL 4 11.966 10.004 12.333 29 HG21 VAL 4 3HG2 VAL 4 15.455 11.451 12.526 30 HG22 VAL 4 1HG2 VAL 4 14.316 12.774 12.284 31 HG23 VAL 4 2HG2 VAL 4 15.321 12.222 10.945 32 H GLN 5 H GLN 5 12.682 9.803 9.157 33 HA GLN 5 HA GLN 5 11.226 7.266 9.737 34 HB2 GLN 5 2HB GLN 5 10.695 9.888 8.453 35 HB3 GLN 5 1HB GLN 5 9.901 8.509 7.695 36 HG2 GLN 5 2HG GLN 5 8.500 8.188 9.455 37 HG3 GLN 5 1HG GLN 5 9.765 8.510 10.640 38 HE21 GLN 5 1HE2 GLN 5 10.287 10.865 11.045 39 HE22 GLN 5 2HE2 GLN 5 9.078 12.028 10.793 40 H GLY 6 H GLY 6 13.618 6.513 8.814 41 HA2 GLY 6 2HA GLY 6 14.080 6.519 6.005 42 HA3 GLY 6 1HA GLY 6 14.711 5.311 7.123 43 H TRP 7 H TRP 7 12.159 4.329 8.044 44 HA TRP 7 HA TRP 7 11.588 2.338 6.061 45 HD1 TRP 7 HD1 TRP 7 13.285 2.165 7.647 46 HE1 TRP 7 HE1 TRP 7 14.262 0.523 9.371 47 HE3 TRP 7 HE3 TRP 7 9.030 0.896 10.175 48 HZ2 TRP 7 HZ2 TRP 7 13.363 -1.120 11.534 49 HZ3 TRP 7 HZ3 TRP 7 9.120 -0.709 12.057 50 HH2 TRP 7 HH2 TRP 7 11.278 -1.719 12.741 51 HB2 TRP 7 2HB TRP 7 10.107 3.364 8.504 52 HB3 TRP 7 1HB TRP 7 9.588 1.946 7.598 53 H GLU 8 H GLU 8 9.885 5.331 6.990 54 HA GLU 8 HA GLU 8 7.632 5.067 5.265 55 HB2 GLU 8 2HB GLU 8 8.610 6.834 7.172 56 HB3 GLU 8 1HB GLU 8 8.644 7.792 5.693 57 HG2 GLU 8 2HG GLU 8 6.191 6.171 6.212 58 HG3 GLU 8 1HG GLU 8 6.439 7.609 7.205 59 H ALA 9 H ALA 9 10.874 6.425 4.696 60 HA ALA 9 HA ALA 9 10.324 7.507 2.085 61 HB1 ALA 9 3HB ALA 9 12.262 8.026 3.640 62 HB2 ALA 9 1HB ALA 9 12.740 7.701 1.973 63 HB3 ALA 9 2HB ALA 9 12.939 6.456 3.205 64 H VAL 10 H VAL 10 11.644 4.371 3.187 65 HA VAL 10 HA VAL 10 12.016 3.307 0.520 66 HB VAL 10 HB VAL 10 11.681 2.021 3.257 67 HG11 VAL 10 1HG1 VAL 10 13.041 0.166 1.922 68 HG12 VAL 10 2HG1 VAL 10 12.211 0.877 0.540 69 HG13 VAL 10 3HG1 VAL 10 11.278 0.203 1.876 70 HG21 VAL 10 3HG2 VAL 10 14.162 1.769 3.083 71 HG22 VAL 10 1HG2 VAL 10 13.656 3.457 3.091 72 HG23 VAL 10 2HG2 VAL 10 14.122 2.685 1.577 73 H ALA 11 H ALA 11 9.404 3.218 2.907 74 HA ALA 11 HA ALA 11 7.657 1.433 1.502 75 HB1 ALA 11 3HB ALA 11 7.161 3.736 3.423 76 HB2 ALA 11 1HB ALA 11 7.399 2.046 3.867 77 HB3 ALA 11 2HB ALA 11 5.951 2.532 2.985 78 H ALA 12 H ALA 12 7.951 5.004 1.540 79 HA ALA 12 HA ALA 12 5.864 5.703 -0.214 80 HB1 ALA 12 3HB ALA 12 7.353 7.675 -0.705 81 HB2 ALA 12 1HB ALA 12 8.662 6.833 0.124 82 HB3 ALA 12 2HB ALA 12 7.221 7.315 1.016 83 H ALA 13 H ALA 13 9.219 4.735 -1.031 84 HA ALA 13 HA ALA 13 8.980 4.981 -3.871 85 HB1 ALA 13 3HB ALA 13 10.609 3.004 -2.236 86 HB2 ALA 13 1HB ALA 13 11.078 4.681 -2.521 87 HB3 ALA 13 2HB ALA 13 10.971 3.552 -3.872 88 H VAL 14 H VAL 14 8.248 2.286 -1.656 89 HA VAL 14 HA VAL 14 7.595 0.322 -3.626 90 HB VAL 14 HB VAL 14 6.529 0.800 -0.818 91 HG11 VAL 14 1HG1 VAL 14 5.029 -0.770 -1.653 92 HG12 VAL 14 2HG1 VAL 14 6.307 -1.822 -1.042 93 HG13 VAL 14 3HG1 VAL 14 6.212 -1.461 -2.765 94 HG21 VAL 14 3HG2 VAL 14 8.408 -1.389 -1.168 95 HG22 VAL 14 1HG2 VAL 14 8.495 -0.015 -0.066 96 HG23 VAL 14 2HG2 VAL 14 9.112 0.134 -1.712 97 H ALA 15 H ALA 15 5.569 2.765 -1.962 98 HA ALA 15 HA ALA 15 3.052 2.097 -3.109 99 HB1 ALA 15 3HB ALA 15 4.333 4.311 -1.703 100 HB2 ALA 15 1HB ALA 15 2.665 3.745 -1.601 101 HB3 ALA 15 2HB ALA 15 3.135 4.881 -2.864 102 H SER 16 H SER 16 5.624 4.285 -4.296 103 HA SER 16 HA SER 16 4.291 5.260 -6.615 104 HG SER 16 HG SER 16 6.531 7.251 -6.046 105 HB2 SER 16 2HB SER 16 7.215 4.683 -6.034 106 HB3 SER 16 1HB SER 16 6.653 5.652 -7.393 107 H LYS 17 H LYS 17 6.295 2.352 -6.113 108 HA LYS 17 HA LYS 17 6.172 1.445 -8.851 109 HB2 LYS 17 2HB LYS 17 7.753 0.872 -6.833 110 HB3 LYS 17 1HB LYS 17 6.531 -0.338 -6.448 111 HG2 LYS 17 2HG LYS 17 7.648 -1.665 -7.910 112 HG3 LYS 17 1HG LYS 17 6.870 -0.697 -9.162 113 HD2 LYS 17 2HD LYS 17 9.380 0.370 -7.940 114 HD3 LYS 17 1HD LYS 17 9.527 -0.977 -9.066 115 HE2 LYS 17 2HE LYS 17 9.315 0.475 -10.791 116 HE3 LYS 17 1HE LYS 17 7.693 0.904 -10.211 117 HZ1 LYS 17 3HZ LYS 17 8.959 2.279 -8.469 118 HZ2 LYS 17 1HZ LYS 17 8.866 2.896 -10.047 119 HZ3 LYS 17 2HZ LYS 17 10.291 2.138 -9.516 120 H ILE 18 H ILE 18 4.108 0.965 -6.002 121 HA ILE 18 HA ILE 18 2.507 -1.165 -7.136 122 HB ILE 18 HB ILE 18 2.246 0.785 -4.839 123 HG12 ILE 18 2HG1 ILE 18 2.646 -2.210 -5.116 124 HG13 ILE 18 1HG1 ILE 18 3.757 -1.036 -4.412 125 HG21 ILE 18 1HG2 ILE 18 -0.031 0.488 -5.594 126 HG22 ILE 18 2HG2 ILE 18 0.190 -0.546 -4.184 127 HG23 ILE 18 3HG2 ILE 18 0.209 -1.247 -5.803 128 HD11 ILE 18 3HD1 ILE 18 2.054 -0.569 -2.631 129 HD12 ILE 18 1HD1 ILE 18 2.639 -2.233 -2.607 130 HD13 ILE 18 2HD1 ILE 18 1.059 -1.863 -3.297 131 H VAL 19 H VAL 19 2.029 2.376 -6.790 132 HA VAL 19 HA VAL 19 -0.531 2.423 -8.118 133 HB VAL 19 HB VAL 19 1.601 4.522 -7.602 134 HG11 VAL 19 1HG1 VAL 19 -1.080 4.676 -8.933 135 HG12 VAL 19 2HG1 VAL 19 0.394 5.580 -9.279 136 HG13 VAL 19 3HG1 VAL 19 -0.593 6.005 -7.880 137 HG21 VAL 19 3HG2 VAL 19 -1.036 4.555 -6.237 138 HG22 VAL 19 1HG2 VAL 19 0.570 4.874 -5.585 139 HG23 VAL 19 2HG2 VAL 19 0.023 3.213 -5.804 140 H GLY 20 H GLY 20 2.813 2.882 -9.266 141 HA2 GLY 20 2HA GLY 20 2.055 3.584 -11.969 142 HA3 GLY 20 1HA GLY 20 3.662 3.086 -11.449 143 H LEU 21 H LEU 21 2.160 0.557 -10.284 144 HA LEU 21 HA LEU 21 1.943 -0.885 -12.899 145 HG LEU 21 HG LEU 21 2.639 -2.995 -13.016 146 HB2 LEU 21 2HB LEU 21 4.040 -1.066 -11.280 147 HB3 LEU 21 1HB LEU 21 2.989 -2.180 -10.409 148 HD11 LEU 21 1HD1 LEU 21 4.411 -1.499 -13.816 149 HD12 LEU 21 2HD1 LEU 21 4.932 -3.178 -13.958 150 HD13 LEU 21 3HD1 LEU 21 5.537 -2.176 -12.638 151 HD21 LEU 21 3HD2 LEU 21 2.978 -4.562 -11.240 152 HD22 LEU 21 1HD2 LEU 21 4.571 -3.901 -10.867 153 HD23 LEU 21 2HD2 LEU 21 4.320 -4.813 -12.357 154 H TRP 22 H TRP 22 -0.171 0.180 -10.869 155 HA TRP 22 HA TRP 22 -1.355 -2.355 -9.896 156 HD1 TRP 22 HD1 TRP 22 -3.130 -2.993 -8.566 157 HE1 TRP 22 HE1 TRP 22 -5.602 -2.941 -7.840 158 HE3 TRP 22 HE3 TRP 22 -4.052 2.015 -8.940 159 HZ2 TRP 22 HZ2 TRP 22 -7.692 -1.027 -7.459 160 HZ3 TRP 22 HZ3 TRP 22 -6.290 2.924 -8.388 161 HH2 TRP 22 HH2 TRP 22 -8.110 1.412 -7.647 162 HB2 TRP 22 2HB TRP 22 -1.361 -0.438 -8.406 163 HB3 TRP 22 1HB TRP 22 -2.106 0.575 -9.641 164 H ARG 23 H ARG 23 -3.083 -3.343 -10.883 165 HA ARG 23 HA ARG 23 -4.112 -2.173 -13.423 166 HE ARG 23 HE ARG 23 -3.690 -4.159 -17.000 167 HB2 ARG 23 2HB ARG 23 -3.108 -4.593 -12.889 168 HB3 ARG 23 1HB ARG 23 -4.770 -4.915 -12.400 169 HG2 ARG 23 2HG ARG 23 -5.524 -4.891 -14.540 170 HG3 ARG 23 1HG ARG 23 -4.558 -3.475 -14.956 171 HD2 ARG 23 2HD ARG 23 -2.711 -5.594 -14.546 172 HD3 ARG 23 1HD ARG 23 -4.015 -6.244 -15.559 173 HH11 ARG 23 2HH1 ARG 23 -1.648 -2.897 -15.140 174 HH12 ARG 23 1HH1 ARG 23 -0.165 -3.279 -15.948 175 HH21 ARG 23 1HH2 ARG 23 -1.585 -5.731 -17.963 176 HH22 ARG 23 2HH2 ARG 23 -0.128 -4.890 -17.550 177 H ASN 24 H ASN 24 -6.610 -3.353 -13.561 178 HA ASN 24 HA ASN 24 -8.369 -1.647 -12.210 179 HB2 ASN 24 2HB ASN 24 -8.481 -4.311 -13.524 180 HB3 ASN 24 1HB ASN 24 -9.856 -3.903 -12.499 181 HD21 ASN 24 1HD2 ASN 24 -8.947 -3.750 -15.658 182 HD22 ASN 24 2HD2 ASN 24 -9.779 -2.352 -16.140 183 H GLU 25 H GLU 25 -7.198 -4.847 -11.140 184 HA GLU 25 HA GLU 25 -7.680 -4.131 -8.327 185 HB2 GLU 25 2HB GLU 25 -9.232 -6.061 -7.999 186 HB3 GLU 25 1HB GLU 25 -9.894 -4.864 -9.110 187 HG2 GLU 25 2HG GLU 25 -8.423 -6.593 -10.752 188 HG3 GLU 25 1HG GLU 25 -9.222 -7.659 -9.599 189 H LYS 26 H LYS 26 -5.320 -4.851 -9.886 190 HA LYS 26 HA LYS 26 -4.445 -7.224 -8.307 191 HB2 LYS 26 2HB LYS 26 -5.373 -7.774 -10.656 192 HB3 LYS 26 1HB LYS 26 -3.927 -6.977 -11.276 193 HG2 LYS 26 2HG LYS 26 -2.658 -8.551 -9.608 194 HG3 LYS 26 1HG LYS 26 -4.142 -9.502 -9.651 195 HD2 LYS 26 2HD LYS 26 -3.400 -10.439 -11.560 196 HD3 LYS 26 1HD LYS 26 -3.593 -8.867 -12.337 197 HE2 LYS 26 2HE LYS 26 -1.338 -8.431 -12.301 198 HE3 LYS 26 1HE LYS 26 -1.115 -9.206 -10.720 199 HZ1 LYS 26 3HZ LYS 26 -1.336 -11.355 -11.715 200 HZ2 LYS 26 1HZ LYS 26 -0.157 -10.502 -12.587 201 HZ3 LYS 26 2HZ LYS 26 -1.719 -10.683 -13.230 202 H THR 27 H THR 27 -2.196 -7.212 -7.877 203 HA THR 27 HA THR 27 -0.425 -5.250 -9.185 204 HB THR 27 HB THR 27 -1.638 -3.925 -7.493 205 HG1 THR 27 HG1 THR 27 0.929 -4.492 -6.452 206 HG21 THR 27 3HG2 THR 27 -2.345 -5.622 -5.947 207 HG22 THR 27 1HG2 THR 27 -1.278 -4.536 -5.057 208 HG23 THR 27 2HG2 THR 27 -0.681 -6.098 -5.614 209 H GLU 28 H GLU 28 1.839 -5.668 -8.612 210 HA GLU 28 HA GLU 28 2.234 -8.375 -7.383 211 HB2 GLU 28 2HB GLU 28 3.429 -6.847 -9.655 212 HB3 GLU 28 1HB GLU 28 4.494 -7.939 -8.770 213 HG2 GLU 28 2HG GLU 28 2.349 -9.555 -9.058 214 HG3 GLU 28 1HG GLU 28 2.160 -8.564 -10.505 215 H LEU 29 H LEU 29 3.960 -8.618 -5.863 216 HA LEU 29 HA LEU 29 5.401 -6.152 -5.014 217 HG LEU 29 HG LEU 29 3.248 -5.296 -4.454 218 HB2 LEU 29 2HB LEU 29 3.366 -7.745 -3.521 219 HB3 LEU 29 1HB LEU 29 4.744 -7.138 -2.604 220 HD11 LEU 29 1HD1 LEU 29 2.392 -6.302 -1.755 221 HD12 LEU 29 2HD1 LEU 29 1.410 -5.977 -3.185 222 HD13 LEU 29 3HD1 LEU 29 2.035 -4.638 -2.221 223 HD21 LEU 29 3HD2 LEU 29 4.075 -3.612 -2.869 224 HD22 LEU 29 1HD2 LEU 29 5.412 -4.608 -3.441 225 HD23 LEU 29 2HD2 LEU 29 4.732 -4.883 -1.837 226 H LEU 30 H LEU 30 7.531 -6.682 -4.834 227 HA LEU 30 HA LEU 30 9.501 -7.952 -4.607 228 HG LEU 30 HG LEU 30 10.681 -9.251 -3.069 229 HB2 LEU 30 2HB LEU 30 7.964 -8.149 -2.358 230 HB3 LEU 30 1HB LEU 30 8.173 -9.851 -2.768 231 HD11 LEU 30 1HD1 LEU 30 11.279 -7.355 -1.427 232 HD12 LEU 30 2HD1 LEU 30 9.596 -6.854 -1.584 233 HD13 LEU 30 3HD1 LEU 30 10.645 -6.881 -3.002 234 HD21 LEU 30 3HD2 LEU 30 11.102 -9.742 -0.745 235 HD22 LEU 30 1HD2 LEU 30 9.630 -10.599 -1.200 236 HD23 LEU 30 2HD2 LEU 30 9.530 -9.104 -0.271 237 H GLY 31 H GLY 31 7.651 -8.791 -6.742 238 HA2 GLY 31 2HA GLY 31 7.699 -10.519 -8.347 239 HA3 GLY 31 1HA GLY 31 8.817 -11.398 -7.307 240 H HIS 32 H HIS 32 5.740 -10.260 -6.041 241 HA HIS 32 HA HIS 32 4.721 -13.078 -6.082 242 HD1 HIS 32 HD1 HIS 32 5.916 -14.450 -4.760 243 HD2 HIS 32 HD2 HIS 32 6.830 -11.193 -2.319 244 HE1 HIS 32 HE1 HIS 32 8.107 -15.001 -3.615 245 HB2 HIS 32 2HB HIS 32 4.600 -10.954 -3.915 246 HB3 HIS 32 1HB HIS 32 3.810 -12.521 -3.821 247 H GLU 33 H GLU 33 2.309 -13.171 -5.887 248 HA GLU 33 HA GLU 33 1.047 -11.031 -7.499 249 HB2 GLU 33 2HB GLU 33 0.703 -13.348 -8.135 250 HB3 GLU 33 1HB GLU 33 0.190 -13.769 -6.502 251 HG2 GLU 33 2HG GLU 33 -1.929 -13.349 -7.140 252 HG3 GLU 33 1HG GLU 33 -1.490 -11.646 -7.284 253 H CYS 34 H CYS 34 -0.257 -9.487 -6.588 254 HA CYS 34 HA CYS 34 -1.371 -9.974 -3.857 255 HB2 CYS 34 2HB CYS 34 0.173 -7.605 -4.929 256 HB3 CYS 34 1HB CYS 34 -0.798 -7.511 -3.462 257 H LYS 35 H LYS 35 -3.175 -8.372 -3.387 258 HA LYS 35 HA LYS 35 -4.616 -7.605 -5.901 259 HB2 LYS 35 2HB LYS 35 -5.304 -9.697 -4.516 260 HB3 LYS 35 1HB LYS 35 -5.948 -8.528 -3.366 261 HG2 LYS 35 2HG LYS 35 -7.653 -7.901 -4.753 262 HG3 LYS 35 1HG LYS 35 -6.665 -8.067 -6.206 263 HD2 LYS 35 2HD LYS 35 -7.385 -10.550 -4.696 264 HD3 LYS 35 1HD LYS 35 -8.629 -9.786 -5.686 265 HE2 LYS 35 2HE LYS 35 -5.863 -10.435 -6.759 266 HE3 LYS 35 1HE LYS 35 -7.238 -11.548 -6.898 267 HZ1 LYS 35 3HZ LYS 35 -7.578 -10.330 -8.777 268 HZ2 LYS 35 1HZ LYS 35 -6.826 -8.940 -8.163 269 HZ3 LYS 35 2HZ LYS 35 -8.412 -9.325 -7.691 270 H PHE 36 H PHE 36 -4.569 -5.405 -5.912 271 HA PHE 36 HA PHE 36 -5.082 -3.912 -3.363 272 HD1 PHE 36 HD1 PHE 36 -5.428 -1.030 -5.681 273 HD2 PHE 36 HD2 PHE 36 -2.319 -2.033 -2.893 274 HE1 PHE 36 HE1 PHE 36 -5.503 1.271 -4.772 275 HE2 PHE 36 HE2 PHE 36 -2.403 0.270 -1.982 276 HZ PHE 36 HZ PHE 36 -3.995 1.917 -2.922 277 HB2 PHE 36 2HB PHE 36 -2.913 -3.572 -4.580 278 HB3 PHE 36 1HB PHE 36 -3.824 -3.042 -5.988 279 H THR 37 H THR 37 -6.974 -2.631 -3.301 280 HA THR 37 HA THR 37 -8.347 -1.999 -5.863 281 HB THR 37 HB THR 37 -10.472 -2.965 -4.575 282 HG1 THR 37 HG1 THR 37 -9.200 -3.523 -2.728 283 HG21 THR 37 3HG2 THR 37 -9.279 -3.701 -6.767 284 HG22 THR 37 1HG2 THR 37 -10.328 -4.859 -5.949 285 HG23 THR 37 2HG2 THR 37 -8.578 -4.974 -5.768 286 H VAL 38 H VAL 38 -10.059 -0.435 -5.631 287 HA VAL 38 HA VAL 38 -10.152 1.042 -3.029 288 HB VAL 38 HB VAL 38 -9.789 2.109 -5.850 289 HG11 VAL 38 1HG1 VAL 38 -10.339 3.539 -3.234 290 HG12 VAL 38 2HG1 VAL 38 -11.290 3.613 -4.718 291 HG13 VAL 38 3HG1 VAL 38 -9.689 4.350 -4.661 292 HG21 VAL 38 3HG2 VAL 38 -7.744 3.156 -4.685 293 HG22 VAL 38 1HG2 VAL 38 -7.679 1.419 -4.985 294 HG23 VAL 38 2HG2 VAL 38 -8.056 2.020 -3.371 295 H LYS 39 H LYS 39 -12.243 1.899 -2.556 296 HA LYS 39 HA LYS 39 -14.376 1.645 -4.612 297 HB2 LYS 39 2HB LYS 39 -13.825 -0.368 -2.809 298 HB3 LYS 39 1HB LYS 39 -15.081 0.540 -1.972 299 HG2 LYS 39 2HG LYS 39 -16.281 -1.030 -3.271 300 HG3 LYS 39 1HG LYS 39 -16.372 0.461 -4.208 301 HD2 LYS 39 2HD LYS 39 -15.795 -1.335 -5.725 302 HD3 LYS 39 1HD LYS 39 -14.366 -0.324 -5.515 303 HE2 LYS 39 2HE LYS 39 -13.390 -1.906 -3.951 304 HE3 LYS 39 1HE LYS 39 -14.882 -2.869 -3.933 305 HZ1 LYS 39 3HZ LYS 39 -14.633 -3.369 -6.229 306 HZ2 LYS 39 1HZ LYS 39 -13.133 -3.691 -5.507 307 HZ3 LYS 39 2HZ LYS 39 -13.351 -2.269 -6.410 308 HA PRO 40 HA PRO 40 -15.585 5.347 -2.448 309 HB2 PRO 40 2HB PRO 40 -17.875 5.836 -3.855 310 HB3 PRO 40 1HB PRO 40 -16.258 6.154 -4.506 311 HG2 PRO 40 2HG PRO 40 -18.122 3.929 -5.084 312 HG3 PRO 40 1HG PRO 40 -16.951 4.725 -6.142 313 HD2 PRO 40 2HD PRO 40 -16.591 2.263 -4.920 314 HD3 PRO 40 1HD PRO 40 -15.295 3.286 -5.576 315 H TYR 41 H TYR 41 -17.260 5.967 -0.906 316 HA TYR 41 HA TYR 41 -19.398 3.957 -0.369 317 HD1 TYR 41 HD1 TYR 41 -19.303 1.825 1.150 318 HD2 TYR 41 HD2 TYR 41 -15.417 3.595 0.691 319 HE1 TYR 41 HE1 TYR 41 -18.345 -0.408 0.659 320 HE2 TYR 41 HE2 TYR 41 -14.459 1.361 0.200 321 HH TYR 41 HH TYR 41 -16.343 -1.323 -0.559 322 HB2 TYR 41 2HB TYR 41 -17.222 4.906 1.501 323 HB3 TYR 41 1HB TYR 41 -18.689 4.136 2.079 324 H LEU 42 H LEU 42 -20.448 4.962 1.880 325 HA LEU 42 HA LEU 42 -20.892 7.884 1.487 326 HG LEU 42 HG LEU 42 -23.234 8.635 1.834 327 HB2 LEU 42 2HB LEU 42 -22.501 6.163 0.269 328 HB3 LEU 42 1HB LEU 42 -23.222 6.033 1.871 329 HD11 LEU 42 1HD1 LEU 42 -21.799 8.778 -0.211 330 HD12 LEU 42 2HD1 LEU 42 -23.334 9.629 -0.388 331 HD13 LEU 42 3HD1 LEU 42 -23.110 8.049 -1.140 332 HD21 LEU 42 3HD2 LEU 42 -25.254 7.206 1.724 333 HD22 LEU 42 1HD2 LEU 42 -25.047 7.057 -0.021 334 HD23 LEU 42 2HD2 LEU 42 -25.419 8.627 0.692 335 H LYS 43 H LYS 43 -21.979 8.872 3.363 336 HA LYS 43 HA LYS 43 -21.846 7.252 5.878 337 HB2 LYS 43 2HB LYS 43 -19.932 8.977 5.167 338 HB3 LYS 43 1HB LYS 43 -21.077 10.145 5.823 339 HG2 LYS 43 2HG LYS 43 -20.361 9.620 7.892 340 HG3 LYS 43 1HG LYS 43 -21.003 7.993 7.663 341 HD2 LYS 43 2HD LYS 43 -18.946 7.105 7.112 342 HD3 LYS 43 1HD LYS 43 -18.358 8.617 6.422 343 HE2 LYS 43 2HE LYS 43 -18.887 8.405 9.391 344 HE3 LYS 43 1HE LYS 43 -17.345 7.859 8.702 345 HZ1 LYS 43 3HZ LYS 43 -17.184 10.188 9.256 346 HZ2 LYS 43 1HZ LYS 43 -18.577 10.546 8.358 347 HZ3 LYS 43 2HZ LYS 43 -17.168 10.020 7.565 348 H ARG 44 H ARG 44 -22.940 8.700 7.695 349 HA ARG 44 HA ARG 44 -25.655 8.890 7.403 350 HE ARG 44 HE ARG 44 -27.651 10.034 7.950 351 HB2 ARG 44 2HB ARG 44 -23.694 9.706 9.242 352 HB3 ARG 44 1HB ARG 44 -24.682 11.138 8.962 353 HG2 ARG 44 2HG ARG 44 -26.134 8.562 9.336 354 HG3 ARG 44 1HG ARG 44 -25.358 9.252 10.762 355 HD2 ARG 44 2HD ARG 44 -27.334 10.428 10.913 356 HD3 ARG 44 1HD ARG 44 -26.552 11.482 9.720 357 HH11 ARG 44 2HH1 ARG 44 -28.686 7.903 9.782 358 HH12 ARG 44 1HH1 ARG 44 -30.342 8.365 9.983 359 HH21 ARG 44 1HH2 ARG 44 -29.855 11.599 8.806 360 HH22 ARG 44 2HH2 ARG 44 -31.007 10.466 9.430 361 H PHE 45 H PHE 45 -23.358 11.447 6.446 362 HA PHE 45 HA PHE 45 -25.403 12.594 4.660 363 HD1 PHE 45 HD2 PHE 45 -22.511 15.019 6.290 364 HD2 PHE 45 HD1 PHE 45 -25.370 13.116 8.871 365 HE1 PHE 45 HE2 PHE 45 -20.927 15.210 8.186 366 HE2 PHE 45 HE1 PHE 45 -23.786 13.310 10.767 367 HZ PHE 45 HZ PHE 45 -21.563 14.356 10.425 368 HB2 PHE 45 2HB PHE 45 -25.060 14.879 5.771 369 HB3 PHE 45 1HB PHE 45 -26.005 13.708 6.686 370 H GLN 46 H GLN 46 -22.726 11.388 4.237 371 HA GLN 46 HA GLN 46 -21.588 13.535 2.582 372 HB2 GLN 46 2HB GLN 46 -20.757 13.198 5.272 373 HB3 GLN 46 1HB GLN 46 -19.451 12.574 4.268 374 HG2 GLN 46 2HG GLN 46 -18.937 14.626 3.428 375 HG3 GLN 46 1HG GLN 46 -20.629 15.114 3.321 376 HE21 GLN 46 1HE2 GLN 46 -21.326 16.597 4.882 377 HE22 GLN 46 2HE2 GLN 46 -20.503 16.939 6.327 378 H VAL 47 H VAL 47 -19.741 12.731 1.265 379 HA VAL 47 HA VAL 47 -19.941 9.786 0.787 380 HB VAL 47 HB VAL 47 -18.768 12.026 -0.903 381 HG11 VAL 47 1HG1 VAL 47 -18.993 10.362 -2.732 382 HG12 VAL 47 2HG1 VAL 47 -19.543 9.165 -1.560 383 HG13 VAL 47 3HG1 VAL 47 -17.899 9.800 -1.468 384 HG21 VAL 47 3HG2 VAL 47 -20.864 11.917 -2.180 385 HG22 VAL 47 1HG2 VAL 47 -21.214 12.301 -0.493 386 HG23 VAL 47 2HG2 VAL 47 -21.479 10.666 -1.100 387 H TYR 48 H TYR 48 -18.079 8.490 0.932 388 HA TYR 48 HA TYR 48 -15.483 9.840 1.524 389 HD1 TYR 48 HD2 TYR 48 -14.199 10.235 3.788 390 HD2 TYR 48 HD1 TYR 48 -18.408 9.547 4.285 391 HE1 TYR 48 HE2 TYR 48 -14.360 12.255 5.218 392 HE2 TYR 48 HE1 TYR 48 -18.569 11.566 5.713 393 HH TYR 48 HH TYR 48 -16.400 12.901 7.260 394 HB2 TYR 48 2HB TYR 48 -17.074 7.917 3.210 395 HB3 TYR 48 1HB TYR 48 -15.317 7.962 3.353 396 H TYR 49 H TYR 49 -13.766 8.810 0.562 397 HA TYR 49 HA TYR 49 -14.334 6.357 -1.016 398 HD1 TYR 49 HD2 TYR 49 -14.682 9.040 -2.839 399 HD2 TYR 49 HD1 TYR 49 -11.869 5.821 -3.253 400 HE1 TYR 49 HE2 TYR 49 -15.491 8.629 -5.147 401 HE2 TYR 49 HE1 TYR 49 -12.677 5.410 -5.561 402 HH TYR 49 HH TYR 49 -14.004 7.226 -7.394 403 HB2 TYR 49 2HB TYR 49 -12.780 8.765 -1.279 404 HB3 TYR 49 1HB TYR 49 -11.703 7.376 -1.410 405 H LYS 50 H LYS 50 -13.404 4.395 -0.496 406 HA LYS 50 HA LYS 50 -11.284 4.362 1.625 407 HB2 LYS 50 2HB LYS 50 -13.910 3.590 1.922 408 HB3 LYS 50 1HB LYS 50 -13.130 2.066 1.509 409 HG2 LYS 50 2HG LYS 50 -11.718 3.760 3.499 410 HG3 LYS 50 1HG LYS 50 -13.231 3.034 4.036 411 HD2 LYS 50 2HD LYS 50 -11.248 1.316 2.587 412 HD3 LYS 50 1HD LYS 50 -10.951 1.708 4.279 413 HE2 LYS 50 2HE LYS 50 -13.715 0.973 4.014 414 HE3 LYS 50 1HE LYS 50 -12.722 -0.278 3.242 415 HZ1 LYS 50 3HZ LYS 50 -12.388 0.831 5.982 416 HZ2 LYS 50 1HZ LYS 50 -11.262 -0.199 5.237 417 HZ3 LYS 50 2HZ LYS 50 -12.834 -0.755 5.568 418 H GLY 51 H GLY 51 -9.848 2.494 1.473 419 HA2 GLY 51 2HA GLY 51 -10.058 0.843 -0.970 420 HA3 GLY 51 1HA GLY 51 -8.626 1.861 -0.825 421 H ARG 52 H ARG 52 -8.809 -1.093 -0.840 422 HA ARG 52 HA ARG 52 -7.227 -1.567 1.632 423 HE ARG 52 HE ARG 52 -9.514 -6.278 1.531 424 HB2 ARG 52 2HB ARG 52 -9.739 -2.035 1.961 425 HB3 ARG 52 1HB ARG 52 -9.515 -3.387 0.850 426 HG2 ARG 52 2HG ARG 52 -7.645 -3.070 3.178 427 HG3 ARG 52 1HG ARG 52 -9.239 -3.775 3.441 428 HD2 ARG 52 2HD ARG 52 -7.692 -4.835 1.124 429 HD3 ARG 52 1HD ARG 52 -7.108 -5.275 2.739 430 HH11 ARG 52 1HH2 ARG 52 -7.730 -6.783 4.181 431 HH12 ARG 52 2HH2 ARG 52 -9.023 -6.901 5.327 432 HH21 ARG 52 2HH1 ARG 52 -11.419 -5.661 3.130 433 HH22 ARG 52 1HH1 ARG 52 -11.123 -6.269 4.725 434 H MET 53 H MET 53 -5.540 -2.991 1.184 435 HA MET 53 HA MET 53 -5.729 -4.662 -1.292 436 HB2 MET 53 2HB MET 53 -3.531 -3.902 -1.955 437 HB3 MET 53 1HB MET 53 -4.516 -2.481 -1.627 438 HG2 MET 53 2HG MET 53 -3.181 -1.826 0.080 439 HG3 MET 53 1HG MET 53 -3.108 -3.450 0.756 440 HE1 MET 53 3HE MET 53 -2.099 -5.260 -1.424 441 HE2 MET 53 1HE MET 53 -1.429 -5.231 0.213 442 HE3 MET 53 2HE MET 53 -0.354 -5.223 -1.183 443 H TRP 54 H TRP 54 -4.435 -6.576 -1.239 444 HA TRP 54 HA TRP 54 -2.942 -7.220 1.236 445 HD1 TRP 54 HD1 TRP 54 -4.555 -10.887 -0.419 446 HE1 TRP 54 HE1 TRP 54 -6.443 -11.204 -2.144 447 HE3 TRP 54 HE3 TRP 54 -7.132 -6.536 0.282 448 HZ2 TRP 54 HZ2 TRP 54 -8.743 -9.794 -3.103 449 HZ3 TRP 54 HZ3 TRP 54 -9.162 -6.045 -1.051 450 HH2 TRP 54 HH2 TRP 54 -9.971 -7.669 -2.743 451 HB2 TRP 54 2HB TRP 54 -4.306 -9.227 1.644 452 HB3 TRP 54 1HB TRP 54 -5.319 -7.788 1.675 453 H CYS 55 H CYS 55 -2.233 -9.757 0.902 454 HA CYS 55 HA CYS 55 -1.443 -10.071 -1.964 455 HB2 CYS 55 2HB CYS 55 0.222 -10.022 0.537 456 HB3 CYS 55 1HB CYS 55 0.800 -10.851 -0.905 457 HA PRO 56 HA PRO 56 -3.117 -14.052 -0.494 458 HB2 PRO 56 2HB PRO 56 -4.260 -14.743 -2.883 459 HB3 PRO 56 1HB PRO 56 -5.063 -13.696 -1.697 460 HG2 PRO 56 2HG PRO 56 -3.675 -12.981 -4.219 461 HG3 PRO 56 1HG PRO 56 -5.092 -12.245 -3.459 462 HD2 PRO 56 2HD PRO 56 -2.539 -11.211 -3.362 463 HD3 PRO 56 1HD PRO 56 -3.829 -10.824 -2.219 464 H GLY 57 H GLY 57 -0.894 -14.833 -0.382 465 HA2 GLY 57 2HA GLY 57 -0.008 -16.977 -1.659 466 HA3 GLY 57 1HA GLY 57 0.319 -15.785 -2.915 467 H TRP 58 H TRP 58 1.217 -13.622 -1.434 468 HA TRP 58 HA TRP 58 3.938 -14.393 -0.823 469 HD1 TRP 58 HD1 TRP 58 5.648 -13.678 0.095 470 HE1 TRP 58 HE1 TRP 58 7.566 -12.070 0.701 471 HE3 TRP 58 HE3 TRP 58 3.352 -9.197 -0.769 472 HZ2 TRP 58 HZ2 TRP 58 8.062 -9.260 0.814 473 HZ3 TRP 58 HZ3 TRP 58 4.573 -7.072 -0.403 474 HH2 TRP 58 HH2 TRP 58 6.924 -7.097 0.386 475 HB2 TRP 58 2HB TRP 58 3.119 -12.216 -1.801 476 HB3 TRP 58 1HB TRP 58 2.454 -11.813 -0.224 477 H THR 59 H THR 59 1.397 -12.925 1.250 478 HA THR 59 HA THR 59 2.217 -14.626 3.514 479 HB THR 59 HB THR 59 3.816 -12.751 3.531 480 HG1 THR 59 HG1 THR 59 3.579 -12.882 5.592 481 HG21 THR 59 3HG2 THR 59 3.198 -10.702 2.853 482 HG22 THR 59 1HG2 THR 59 2.077 -10.578 4.209 483 HG23 THR 59 2HG2 THR 59 1.537 -11.266 2.678 484 H ALA 60 H ALA 60 0.894 -13.090 5.507 485 HA ALA 60 HA ALA 60 -1.931 -13.063 4.500 486 HB1 ALA 60 3HB ALA 60 -2.519 -14.023 6.694 487 HB2 ALA 60 1HB ALA 60 -0.827 -13.948 7.187 488 HB3 ALA 60 2HB ALA 60 -1.319 -15.031 5.884 489 H ILE 61 H ILE 61 -0.382 -10.687 4.520 490 HA ILE 61 HA ILE 61 -1.614 -9.189 6.804 491 HB ILE 61 HB ILE 61 1.071 -9.642 6.347 492 HG12 ILE 61 2HG1 ILE 61 -0.105 -7.162 7.640 493 HG13 ILE 61 1HG1 ILE 61 -0.067 -8.754 8.399 494 HG21 ILE 61 1HG2 ILE 61 0.457 -6.855 5.305 495 HG22 ILE 61 2HG2 ILE 61 0.978 -8.207 4.300 496 HG23 ILE 61 3HG2 ILE 61 2.057 -7.562 5.535 497 HD11 ILE 61 3HD1 ILE 61 2.482 -7.600 7.315 498 HD12 ILE 61 1HD1 ILE 61 2.248 -8.733 8.645 499 HD13 ILE 61 2HD1 ILE 61 1.872 -7.023 8.866 500 H ARG 62 H ARG 62 -2.321 -7.003 6.254 501 HA ARG 62 HA ARG 62 -2.240 -6.196 3.421 502 HE ARG 62 HE ARG 62 -6.637 -9.030 6.668 503 HB2 ARG 62 2HB ARG 62 -4.830 -5.986 3.559 504 HB3 ARG 62 1HB ARG 62 -4.133 -7.569 3.253 505 HG2 ARG 62 2HG ARG 62 -4.276 -7.211 6.087 506 HG3 ARG 62 1HG ARG 62 -5.840 -6.769 5.404 507 HD2 ARG 62 2HD ARG 62 -6.037 -8.909 4.280 508 HD3 ARG 62 1HD ARG 62 -4.378 -9.347 4.734 509 HH11 ARG 62 1HH2 ARG 62 -5.474 -11.726 6.172 510 HH12 ARG 62 2HH2 ARG 62 -4.326 -11.883 7.459 511 HH21 ARG 62 2HH1 ARG 62 -4.281 -8.479 8.174 512 HH22 ARG 62 1HH1 ARG 62 -3.648 -10.034 8.600 513 H GLY 63 H GLY 63 -3.410 -4.076 3.119 514 HA2 GLY 63 2HA GLY 63 -3.475 -2.453 5.618 515 HA3 GLY 63 1HA GLY 63 -2.534 -1.891 4.238 516 H GLU 64 H GLU 64 -4.836 -0.575 5.467 517 HA GLU 64 HA GLU 64 -6.493 -0.291 3.024 518 HB2 GLU 64 2HB GLU 64 -8.524 -0.328 4.602 519 HB3 GLU 64 1HB GLU 64 -7.764 -1.875 4.265 520 HG2 GLU 64 2HG GLU 64 -6.603 -0.470 6.572 521 HG3 GLU 64 1HG GLU 64 -8.299 -0.895 6.774 522 H ALA 65 H ALA 65 -7.621 1.762 2.956 523 HA ALA 65 HA ALA 65 -6.877 3.754 5.052 524 HB1 ALA 65 3HB ALA 65 -6.472 4.141 2.072 525 HB2 ALA 65 1HB ALA 65 -5.189 3.638 3.172 526 HB3 ALA 65 2HB ALA 65 -5.946 5.219 3.364 527 H SER 66 H SER 66 -8.158 5.781 4.834 528 HA SER 66 HA SER 66 -10.573 5.624 3.104 529 HG SER 66 HG SER 66 -10.059 4.282 6.289 530 HB2 SER 66 2HB SER 66 -10.895 6.233 6.026 531 HB3 SER 66 1HB SER 66 -12.085 5.617 4.890 532 H THR 67 H THR 67 -11.202 7.638 2.431 533 HA THR 67 HA THR 67 -10.873 10.085 3.908 534 HB THR 67 HB THR 67 -8.493 9.601 3.417 535 HG1 THR 67 HG1 THR 67 -8.097 11.596 2.287 536 HG21 THR 67 3HG2 THR 67 -8.743 8.287 1.381 537 HG22 THR 67 1HG2 THR 67 -7.723 9.686 1.047 538 HG23 THR 67 2HG2 THR 67 -9.408 9.681 0.529 539 H ARG 68 H ARG 68 -11.457 12.009 2.489 540 HA ARG 68 HA ARG 68 -13.662 11.365 0.734 541 HE ARG 68 HE ARG 68 -13.933 13.981 3.821 542 HB2 ARG 68 2HB ARG 68 -12.453 13.647 2.013 543 HB3 ARG 68 1HB ARG 68 -12.766 14.036 0.322 544 HG2 ARG 68 2HG ARG 68 -15.092 13.453 0.532 545 HG3 ARG 68 1HG ARG 68 -14.836 12.773 2.138 546 HD2 ARG 68 2HD ARG 68 -14.181 15.672 1.581 547 HD3 ARG 68 1HD ARG 68 -15.830 15.174 2.001 548 HH11 ARG 68 1HH2 ARG 68 -13.301 17.012 3.534 549 HH12 ARG 68 2HH2 ARG 68 -14.180 17.635 4.890 550 HH21 ARG 68 2HH1 ARG 68 -16.032 14.731 5.358 551 HH22 ARG 68 1HH1 ARG 68 -15.731 16.339 5.924 552 H SER 69 H SER 69 -10.237 12.027 0.162 553 HA SER 69 HA SER 69 -10.409 12.626 -2.646 554 HG SER 69 HG SER 69 -7.322 11.913 -0.181 555 HB2 SER 69 2HB SER 69 -7.933 11.524 -2.305 556 HB3 SER 69 1HB SER 69 -8.334 13.181 -1.876 557 H GLN 70 H GLN 70 -10.087 11.245 -4.443 558 HA GLN 70 HA GLN 70 -11.063 8.493 -4.111 559 HB2 GLN 70 2HB GLN 70 -10.249 10.211 -6.479 560 HB3 GLN 70 1HB GLN 70 -10.902 8.580 -6.641 561 HG2 GLN 70 2HG GLN 70 -12.904 9.675 -6.745 562 HG3 GLN 70 1HG GLN 70 -12.762 9.679 -4.989 563 HE21 GLN 70 1HE2 GLN 70 -13.058 11.721 -4.089 564 HE22 GLN 70 2HE2 GLN 70 -12.696 13.189 -4.861 565 H SER 71 H SER 71 -8.238 9.812 -5.907 566 HA SER 71 HA SER 71 -6.817 7.278 -5.813 567 HG SER 71 HG SER 71 -4.257 8.832 -7.547 568 HB2 SER 71 2HB SER 71 -6.699 9.234 -7.517 569 HB3 SER 71 1HB SER 71 -5.624 10.002 -6.351 570 H GLY 72 H GLY 72 -7.019 10.078 -3.720 571 HA2 GLY 72 2HA GLY 72 -4.531 9.901 -2.359 572 HA3 GLY 72 1HA GLY 72 -6.017 10.536 -1.650 573 H VAL 73 H VAL 73 -7.651 8.263 -1.691 574 HA VAL 73 HA VAL 73 -6.799 6.844 0.638 575 HB VAL 73 HB VAL 73 -9.138 7.201 -0.577 576 HG11 VAL 73 1HG1 VAL 73 -9.916 5.223 -1.758 577 HG12 VAL 73 2HG1 VAL 73 -8.352 4.438 -1.539 578 HG13 VAL 73 3HG1 VAL 73 -8.489 5.857 -2.576 579 HG21 VAL 73 3HG2 VAL 73 -8.469 4.627 0.871 580 HG22 VAL 73 1HG2 VAL 73 -10.049 5.404 0.790 581 HG23 VAL 73 2HG2 VAL 73 -8.729 6.182 1.662 582 H ALA 74 H ALA 74 -6.504 6.077 -2.821 583 HA ALA 74 HA ALA 74 -5.573 3.384 -2.570 584 HB1 ALA 74 3HB ALA 74 -4.920 3.688 -4.869 585 HB2 ALA 74 1HB ALA 74 -4.774 5.433 -4.656 586 HB3 ALA 74 2HB ALA 74 -6.364 4.671 -4.629 587 H GLY 75 H GLY 75 -3.789 6.483 -2.726 588 HA2 GLY 75 2HA GLY 75 -1.173 5.373 -2.609 589 HA3 GLY 75 1HA GLY 75 -1.588 7.009 -2.101 590 H LYS 76 H LYS 76 -3.465 6.219 -0.029 591 HA LYS 76 HA LYS 76 -1.581 5.710 2.123 592 HB2 LYS 76 2HB LYS 76 -4.444 6.386 1.743 593 HB3 LYS 76 1HB LYS 76 -4.063 5.524 3.234 594 HG2 LYS 76 2HG LYS 76 -3.676 7.685 3.950 595 HG3 LYS 76 1HG LYS 76 -2.072 7.301 3.326 596 HD2 LYS 76 2HD LYS 76 -4.077 8.406 1.407 597 HD3 LYS 76 1HD LYS 76 -3.371 9.515 2.580 598 HE2 LYS 76 2HE LYS 76 -1.483 7.694 1.142 599 HE3 LYS 76 1HE LYS 76 -2.176 9.041 0.220 600 HZ1 LYS 76 3HZ LYS 76 -0.905 9.288 2.900 601 HZ2 LYS 76 1HZ LYS 76 -1.513 10.562 1.958 602 HZ3 LYS 76 2HZ LYS 76 -0.150 9.693 1.431 603 H THR 77 H THR 77 -4.100 3.782 0.466 604 HA THR 77 HA THR 77 -4.098 1.525 2.204 605 HB THR 77 HB THR 77 -4.571 1.868 -0.775 606 HG1 THR 77 HG1 THR 77 -6.394 1.446 1.349 607 HG21 THR 77 3HG2 THR 77 -5.903 -0.333 -0.407 608 HG22 THR 77 1HG2 THR 77 -4.859 -0.549 0.997 609 HG23 THR 77 2HG2 THR 77 -4.156 -0.438 -0.616 610 H ALA 78 H ALA 78 -1.984 2.388 -0.533 611 HA ALA 78 HA ALA 78 -0.486 -0.119 -0.411 612 HB1 ALA 78 3HB ALA 78 -0.469 0.803 -2.543 613 HB2 ALA 78 1HB ALA 78 1.031 1.495 -1.923 614 HB3 ALA 78 2HB ALA 78 -0.448 2.458 -1.932 615 H LYS 79 H LYS 79 -0.212 3.104 0.993 616 HA LYS 79 HA LYS 79 2.546 2.741 1.857 617 HB2 LYS 79 2HB LYS 79 0.662 4.829 1.546 618 HB3 LYS 79 1HB LYS 79 1.023 4.768 3.260 619 HG2 LYS 79 2HG LYS 79 2.644 5.789 1.077 620 HG3 LYS 79 1HG LYS 79 2.865 5.994 2.807 621 HD2 LYS 79 2HD LYS 79 4.818 4.864 2.205 622 HD3 LYS 79 1HD LYS 79 3.780 3.529 2.704 623 HE2 LYS 79 2HE LYS 79 3.094 3.862 0.041 624 HE3 LYS 79 1HE LYS 79 4.840 4.159 0.037 625 HZ1 LYS 79 3HZ LYS 79 5.058 1.953 0.163 626 HZ2 LYS 79 1HZ LYS 79 3.420 1.712 0.517 627 HZ3 LYS 79 2HZ LYS 79 4.515 2.063 1.764 628 H ASP 80 H ASP 80 -0.675 2.490 3.283 629 HA ASP 80 HA ASP 80 0.239 2.023 5.989 630 HB2 ASP 80 2HB ASP 80 -2.332 1.597 4.447 631 HB3 ASP 80 1HB ASP 80 -2.192 1.168 6.148 632 H PHE 81 H PHE 81 -0.415 -0.038 3.181 633 HA PHE 81 HA PHE 81 -0.374 -2.555 4.612 634 HD1 PHE 81 HD2 PHE 81 -0.925 -4.847 3.517 635 HD2 PHE 81 HD1 PHE 81 1.583 -2.953 0.592 636 HE1 PHE 81 HE2 PHE 81 0.043 -7.049 2.921 637 HE2 PHE 81 HE1 PHE 81 2.552 -5.156 -0.002 638 HZ PHE 81 HZ PHE 81 1.783 -7.205 1.162 639 HB2 PHE 81 2HB PHE 81 -1.401 -2.479 2.460 640 HB3 PHE 81 1HB PHE 81 -0.007 -1.673 1.739 641 H VAL 82 H VAL 82 2.109 -0.657 2.859 642 HA VAL 82 HA VAL 82 4.218 -2.599 3.297 643 HB VAL 82 HB VAL 82 4.154 0.347 2.545 644 HG11 VAL 82 1HG1 VAL 82 6.564 -0.378 1.690 645 HG12 VAL 82 2HG1 VAL 82 6.446 -1.525 3.024 646 HG13 VAL 82 3HG1 VAL 82 6.331 0.207 3.339 647 HG21 VAL 82 3HG2 VAL 82 4.179 -0.372 0.353 648 HG22 VAL 82 1HG2 VAL 82 3.333 -1.743 1.073 649 HG23 VAL 82 2HG2 VAL 82 5.062 -1.849 0.737 650 H ARG 83 H ARG 83 2.943 0.150 5.113 651 HA ARG 83 HA ARG 83 5.141 0.291 7.020 652 HE ARG 83 HE ARG 83 4.005 5.193 7.610 653 HB2 ARG 83 2HB ARG 83 2.793 1.727 6.331 654 HB3 ARG 83 1HB ARG 83 2.597 1.244 8.013 655 HG2 ARG 83 2HG ARG 83 3.872 3.062 8.478 656 HG3 ARG 83 1HG ARG 83 5.223 2.048 7.972 657 HD2 ARG 83 2HD ARG 83 5.626 3.663 6.412 658 HD3 ARG 83 1HD ARG 83 4.211 3.014 5.559 659 HH11 ARG 83 1HH2 ARG 83 1.522 3.740 6.605 660 HH12 ARG 83 2HH2 ARG 83 0.970 4.827 5.374 661 HH21 ARG 83 2HH1 ARG 83 3.988 6.552 5.190 662 HH22 ARG 83 1HH1 ARG 83 2.372 6.436 4.581 663 H LYS 84 H LYS 84 1.956 -1.333 6.921 664 HA LYS 84 HA LYS 84 2.030 -2.329 9.629 665 HB2 LYS 84 2HB LYS 84 0.366 -2.475 7.267 666 HB3 LYS 84 1HB LYS 84 0.545 -4.085 7.963 667 HG2 LYS 84 2HG LYS 84 -0.893 -3.551 9.607 668 HG3 LYS 84 1HG LYS 84 0.159 -2.228 10.108 669 HD2 LYS 84 2HD LYS 84 -1.873 -1.149 9.587 670 HD3 LYS 84 1HD LYS 84 -0.902 -0.916 8.135 671 HE2 LYS 84 2HE LYS 84 -2.099 -2.541 6.917 672 HE3 LYS 84 1HE LYS 84 -2.725 -3.312 8.386 673 HZ1 LYS 84 3HZ LYS 84 -3.895 -1.193 8.874 674 HZ2 LYS 84 1HZ LYS 84 -4.459 -1.959 7.469 675 HZ3 LYS 84 2HZ LYS 84 -3.426 -0.613 7.349 676 H ALA 85 H ALA 85 3.189 -3.614 6.517 677 HA ALA 85 HA ALA 85 3.938 -6.219 7.555 678 HB1 ALA 85 3HB ALA 85 5.320 -6.153 5.368 679 HB2 ALA 85 1HB ALA 85 4.605 -4.562 5.113 680 HB3 ALA 85 2HB ALA 85 3.571 -5.987 5.210 681 H PHE 86 H PHE 86 5.556 -3.080 7.211 682 HA PHE 86 HA PHE 86 8.229 -3.953 7.835 683 HD1 PHE 86 HD1 PHE 86 10.016 -2.252 9.083 684 HD2 PHE 86 HD2 PHE 86 8.321 -1.082 5.311 685 HE1 PHE 86 HE1 PHE 86 12.295 -1.937 8.155 686 HE2 PHE 86 HE2 PHE 86 10.600 -0.769 4.385 687 HZ PHE 86 HZ PHE 86 12.587 -1.196 5.808 688 HB2 PHE 86 2HB PHE 86 6.900 -1.611 7.076 689 HB3 PHE 86 1HB PHE 86 7.507 -1.243 8.689 690 H GLN 87 H GLN 87 5.505 -2.776 9.809 691 HA GLN 87 HA GLN 87 6.878 -2.638 12.324 692 HB2 GLN 87 2HB GLN 87 3.987 -3.114 11.530 693 HB3 GLN 87 1HB GLN 87 4.498 -2.798 13.188 694 HG2 GLN 87 2HG GLN 87 5.299 -0.923 10.970 695 HG3 GLN 87 1HG GLN 87 3.707 -0.790 11.715 696 HE21 GLN 87 1HE2 GLN 87 3.684 -0.455 14.141 697 HE22 GLN 87 2HE2 GLN 87 4.999 0.340 14.864 698 H LYS 88 H LYS 88 5.089 -5.271 10.708 699 HA LYS 88 HA LYS 88 5.366 -7.160 12.901 700 HB2 LYS 88 2HB LYS 88 4.615 -7.284 9.972 701 HB3 LYS 88 1HB LYS 88 4.696 -8.743 10.960 702 HG2 LYS 88 2HG LYS 88 3.196 -6.488 12.161 703 HG3 LYS 88 1HG LYS 88 2.459 -7.203 10.727 704 HD2 LYS 88 2HD LYS 88 3.502 -9.006 12.891 705 HD3 LYS 88 1HD LYS 88 1.943 -8.212 13.110 706 HE2 LYS 88 2HE LYS 88 1.003 -9.280 11.200 707 HE3 LYS 88 1HE LYS 88 2.598 -9.759 10.587 708 HZ1 LYS 88 3HZ LYS 88 2.885 -11.045 12.686 709 HZ2 LYS 88 1HZ LYS 88 1.659 -11.645 11.679 710 HZ3 LYS 88 2HZ LYS 88 1.255 -10.733 13.054 711 H GLY 89 H GLY 89 6.879 -7.041 9.648 712 HA2 GLY 89 2HA GLY 89 9.476 -7.178 9.877 713 HA3 GLY 89 1HA GLY 89 9.107 -8.698 10.687 714 H LEU 90 H LEU 90 7.873 -7.123 7.703 715 HA LEU 90 HA LEU 90 8.488 -9.678 6.264 716 HG LEU 90 HG LEU 90 6.046 -10.132 7.483 717 HB2 LEU 90 2HB LEU 90 6.075 -7.936 6.432 718 HB3 LEU 90 1HB LEU 90 6.424 -8.653 4.860 719 HD11 LEU 90 1HD1 LEU 90 4.008 -10.864 6.621 720 HD12 LEU 90 2HD1 LEU 90 4.504 -10.599 4.950 721 HD13 LEU 90 3HD1 LEU 90 4.078 -9.225 5.971 722 HD21 LEU 90 3HD2 LEU 90 7.085 -11.002 4.790 723 HD22 LEU 90 1HD2 LEU 90 6.197 -12.142 5.802 724 HD23 LEU 90 2HD2 LEU 90 7.690 -11.415 6.395 725 H ILE 91 H ILE 91 7.718 -6.232 5.566 726 HA ILE 91 HA ILE 91 9.467 -6.346 3.184 727 HB ILE 91 HB ILE 91 7.439 -4.423 4.334 728 HG12 ILE 91 2HG1 ILE 91 7.485 -5.451 1.521 729 HG13 ILE 91 1HG1 ILE 91 7.051 -6.577 2.806 730 HG21 ILE 91 1HG2 ILE 91 9.558 -3.917 2.274 731 HG22 ILE 91 2HG2 ILE 91 8.887 -2.818 3.479 732 HG23 ILE 91 3HG2 ILE 91 7.961 -3.212 2.032 733 HD11 ILE 91 3HD1 ILE 91 5.623 -4.238 3.399 734 HD12 ILE 91 1HD1 ILE 91 4.965 -5.728 2.718 735 HD13 ILE 91 2HD1 ILE 91 5.481 -4.422 1.650 736 H SER 92 H SER 92 11.595 -5.916 3.503 737 HA SER 92 HA SER 92 12.450 -4.165 5.756 738 HG SER 92 HG SER 92 14.909 -5.558 6.426 739 HB2 SER 92 2HB SER 92 13.372 -6.479 5.371 740 HB3 SER 92 1HB SER 92 14.062 -5.898 3.860 741 H GLN 93 H GLN 93 14.691 -3.005 4.990 742 HA GLN 93 HA GLN 93 13.894 -0.955 3.084 743 HB2 GLN 93 2HB GLN 93 16.243 -1.603 4.832 744 HB3 GLN 93 1HB GLN 93 16.462 -0.410 3.550 745 HG2 GLN 93 2HG GLN 93 15.187 1.141 4.608 746 HG3 GLN 93 1HG GLN 93 13.988 -0.049 5.111 747 HE21 GLN 93 1HE2 GLN 93 14.631 -1.449 7.040 748 HE22 GLN 93 2HE2 GLN 93 15.662 -0.779 8.210 749 H GLN 94 H GLN 94 16.524 -3.397 3.093 750 HA GLN 94 HA GLN 94 17.426 -2.896 0.420 751 HB2 GLN 94 2HB GLN 94 17.558 -5.288 2.279 752 HB3 GLN 94 1HB GLN 94 18.432 -5.213 0.751 753 HG2 GLN 94 2HG GLN 94 18.708 -2.958 2.720 754 HG3 GLN 94 1HG GLN 94 19.629 -4.443 2.962 755 HE21 GLN 94 1HE2 GLN 94 21.390 -4.883 1.510 756 HE22 GLN 94 2HE2 GLN 94 21.880 -3.786 0.310 757 H GLU 95 H GLU 95 15.055 -5.214 1.738 758 HA GLU 95 HA GLU 95 14.479 -6.712 -0.599 759 HB2 GLU 95 2HB GLU 95 13.565 -6.460 2.021 760 HB3 GLU 95 1HB GLU 95 12.157 -6.016 1.058 761 HG2 GLU 95 2HG GLU 95 12.486 -8.128 -0.271 762 HG3 GLU 95 1HG GLU 95 13.752 -8.586 0.870 763 H ALA 96 H ALA 96 13.003 -3.663 0.556 764 HA ALA 96 HA ALA 96 11.163 -3.340 -1.630 765 HB1 ALA 96 3HB ALA 96 12.467 -1.081 -0.113 766 HB2 ALA 96 1HB ALA 96 11.380 -2.194 0.717 767 HB3 ALA 96 2HB ALA 96 10.789 -1.230 -0.636 768 H ASN 97 H ASN 97 14.509 -2.262 -1.087 769 HA ASN 97 HA ASN 97 14.792 -0.652 -3.448 770 HB2 ASN 97 2HB ASN 97 16.249 -0.903 -1.307 771 HB3 ASN 97 1HB ASN 97 16.977 -2.278 -2.139 772 HD21 ASN 97 1HD2 ASN 97 18.441 -1.840 -3.872 773 HD22 ASN 97 2HD2 ASN 97 18.861 -0.268 -4.352 774 H GLN 98 H GLN 98 15.281 -4.122 -2.813 775 HA GLN 98 HA GLN 98 16.423 -4.785 -5.367 776 HB2 GLN 98 2HB GLN 98 14.953 -6.246 -3.170 777 HB3 GLN 98 1HB GLN 98 15.416 -7.093 -4.647 778 HG2 GLN 98 2HG GLN 98 17.665 -6.976 -4.178 779 HG3 GLN 98 1HG GLN 98 17.515 -5.440 -3.327 780 HE21 GLN 98 1HE2 GLN 98 18.285 -5.884 -1.232 781 HE22 GLN 98 2HE2 GLN 98 17.740 -7.167 -0.264 782 H TRP 99 H TRP 99 13.061 -4.705 -4.150 783 HA TRP 99 HA TRP 99 11.811 -5.674 -6.553 784 HD1 TRP 99 HD1 TRP 99 9.858 -6.653 -6.859 785 HE1 TRP 99 HE1 TRP 99 7.477 -6.268 -7.770 786 HE3 TRP 99 HE3 TRP 99 8.614 -2.388 -4.332 787 HZ2 TRP 99 HZ2 TRP 99 5.334 -4.412 -7.461 788 HZ3 TRP 99 HZ3 TRP 99 6.394 -1.342 -4.660 789 HH2 TRP 99 HH2 TRP 99 4.754 -2.344 -6.222 790 HB2 TRP 99 2HB TRP 99 10.811 -5.459 -4.237 791 HB3 TRP 99 1HB TRP 99 10.733 -3.716 -4.496 792 H LEU 100 H LEU 100 12.584 -2.396 -5.368 793 HA LEU 100 HA LEU 100 11.432 -0.828 -7.423 794 HG LEU 100 HG LEU 100 11.317 -0.152 -5.023 795 HB2 LEU 100 2HB LEU 100 13.824 -0.587 -5.608 796 HB3 LEU 100 1HB LEU 100 13.578 0.629 -6.858 797 HD11 LEU 100 1HD1 LEU 100 13.613 0.691 -3.916 798 HD12 LEU 100 2HD1 LEU 100 12.041 1.217 -3.317 799 HD13 LEU 100 3HD1 LEU 100 12.965 2.258 -4.401 800 HD21 LEU 100 3HD2 LEU 100 11.119 1.275 -7.183 801 HD22 LEU 100 1HD2 LEU 100 11.938 2.533 -6.258 802 HD23 LEU 100 2HD2 LEU 100 10.382 1.909 -5.711 803 H SER 101 H SER 101 14.533 -2.576 -7.360 804 HA SER 101 HA SER 101 15.357 -1.635 -10.006 805 HG SER 101 HG SER 101 17.446 -3.582 -10.427 806 HB2 SER 101 2HB SER 101 16.774 -2.405 -7.956 807 HB3 SER 101 1HB SER 101 16.424 -4.037 -8.517 808 H SER 102 HN SER 102 14.040 -4.666 -8.634 809 HA SER 102 HA SER 102 12.795 -5.357 -11.200 810 HG SER 102 HG SER 102 13.429 -8.269 -11.183 811 HB2 SER 102 2HB SER 102 15.202 -6.072 -11.382 812 HB3 SER 102 1HB SER 102 14.950 -7.125 -9.992 Start of MODEL 8 1 HA GLU 1 HA GLU 1 24.035 17.804 13.785 2 H1 GLU 1 1H GLU 1 22.479 18.702 11.411 3 H2 GLU 1 2H GLU 1 23.438 17.299 11.421 4 H3 GLU 1 3H GLU 1 24.155 18.822 11.646 5 HB2 GLU 1 2HB GLU 1 23.338 20.255 13.271 6 HB3 GLU 1 1HB GLU 1 21.694 19.703 13.593 7 HG2 GLU 1 2HG GLU 1 23.225 18.661 15.702 8 HG3 GLU 1 1HG GLU 1 23.826 20.303 15.474 9 H ALA 2 H ALA 2 20.684 18.103 12.491 10 HA ALA 2 HA ALA 2 19.566 16.228 14.398 11 HB1 ALA 2 3HB ALA 2 17.596 16.418 12.836 12 HB2 ALA 2 1HB ALA 2 18.617 17.351 11.743 13 HB3 ALA 2 2HB ALA 2 18.243 17.977 13.348 14 H TYR 3 H TYR 3 18.978 14.035 14.051 15 HA TYR 3 HA TYR 3 20.376 12.687 11.766 16 HD1 TYR 3 HD1 TYR 3 22.506 10.984 12.507 17 HD2 TYR 3 HD2 TYR 3 20.904 13.344 15.720 18 HE1 TYR 3 HE1 TYR 3 24.802 11.655 13.161 19 HE2 TYR 3 HE2 TYR 3 23.200 14.015 16.372 20 HH TYR 3 HH TYR 3 25.566 14.156 14.876 21 HB2 TYR 3 2HB TYR 3 19.500 11.792 14.531 22 HB3 TYR 3 1HB TYR 3 20.164 10.691 13.326 23 H VAL 4 H VAL 4 19.195 11.229 10.460 24 HA VAL 4 HA VAL 4 16.278 10.910 11.043 25 HB VAL 4 HB VAL 4 16.685 12.820 9.498 26 HG11 VAL 4 1HG1 VAL 4 17.842 10.726 7.632 27 HG12 VAL 4 2HG1 VAL 4 18.803 11.910 8.517 28 HG13 VAL 4 3HG1 VAL 4 17.650 12.446 7.296 29 HG21 VAL 4 3HG2 VAL 4 14.700 11.171 9.308 30 HG22 VAL 4 1HG2 VAL 4 15.540 10.532 7.894 31 HG23 VAL 4 2HG2 VAL 4 15.022 12.217 7.925 32 H GLN 5 H GLN 5 15.503 8.864 10.543 33 HA GLN 5 HA GLN 5 17.462 6.800 9.779 34 HB2 GLN 5 2HB GLN 5 14.580 6.900 10.678 35 HB3 GLN 5 1HB GLN 5 15.292 5.391 10.106 36 HG2 GLN 5 2HG GLN 5 16.329 5.084 12.079 37 HG3 GLN 5 1HG GLN 5 17.107 6.662 11.949 38 HE21 GLN 5 1HE2 GLN 5 15.025 4.921 13.915 39 HE22 GLN 5 2HE2 GLN 5 14.202 6.215 14.644 40 H GLY 6 H GLY 6 14.458 8.192 8.412 41 HA2 GLY 6 2HA GLY 6 13.939 8.417 6.099 42 HA3 GLY 6 1HA GLY 6 15.345 7.429 5.712 43 H TRP 7 H TRP 7 13.729 5.782 8.114 44 HA TRP 7 HA TRP 7 12.900 3.613 6.479 45 HD1 TRP 7 HD1 TRP 7 15.229 3.677 8.483 46 HE1 TRP 7 HE1 TRP 7 16.209 1.324 8.881 47 HE3 TRP 7 HE3 TRP 7 10.914 1.015 9.114 48 HZ2 TRP 7 HZ2 TRP 7 15.285 -1.331 9.398 49 HZ3 TRP 7 HZ3 TRP 7 10.995 -1.420 9.560 50 HH2 TRP 7 HH2 TRP 7 13.173 -2.597 9.703 51 HB2 TRP 7 2HB TRP 7 12.590 4.556 9.274 52 HB3 TRP 7 1HB TRP 7 11.360 3.414 8.737 53 H GLU 8 H GLU 8 10.929 6.222 7.946 54 HA GLU 8 HA GLU 8 8.398 5.426 6.912 55 HB2 GLU 8 2HB GLU 8 9.424 7.416 8.512 56 HB3 GLU 8 1HB GLU 8 8.952 8.325 7.077 57 HG2 GLU 8 2HG GLU 8 6.795 8.219 7.702 58 HG3 GLU 8 1HG GLU 8 6.865 6.458 7.679 59 H ALA 9 H ALA 9 10.954 7.465 5.492 60 HA ALA 9 HA ALA 9 9.516 8.288 3.156 61 HB1 ALA 9 3HB ALA 9 11.618 9.290 4.051 62 HB2 ALA 9 1HB ALA 9 11.768 8.861 2.348 63 HB3 ALA 9 2HB ALA 9 12.487 7.829 3.582 64 H VAL 10 H VAL 10 11.582 5.458 3.826 65 HA VAL 10 HA VAL 10 11.574 4.392 1.156 66 HB VAL 10 HB VAL 10 11.904 3.161 3.913 67 HG11 VAL 10 1HG1 VAL 10 11.269 1.352 2.466 68 HG12 VAL 10 2HG1 VAL 10 13.025 1.283 2.611 69 HG13 VAL 10 3HG1 VAL 10 12.287 1.957 1.160 70 HG21 VAL 10 3HG2 VAL 10 13.609 4.827 3.214 71 HG22 VAL 10 1HG2 VAL 10 13.908 3.889 1.751 72 HG23 VAL 10 2HG2 VAL 10 14.295 3.207 3.330 73 H ALA 11 H ALA 11 9.441 3.889 3.970 74 HA ALA 11 HA ALA 11 7.759 1.876 2.814 75 HB1 ALA 11 3HB ALA 11 7.216 4.047 4.870 76 HB2 ALA 11 1HB ALA 11 7.846 2.435 5.211 77 HB3 ALA 11 2HB ALA 11 6.199 2.629 4.613 78 H ALA 12 H ALA 12 7.607 5.440 2.766 79 HA ALA 12 HA ALA 12 5.079 5.695 1.447 80 HB1 ALA 12 3HB ALA 12 7.428 7.560 1.102 81 HB2 ALA 12 1HB ALA 12 6.617 7.413 2.661 82 HB3 ALA 12 2HB ALA 12 5.719 7.968 1.249 83 H ALA 13 H ALA 13 8.417 5.415 0.205 84 HA ALA 13 HA ALA 13 7.820 5.766 -2.573 85 HB1 ALA 13 3HB ALA 13 10.065 5.751 -1.326 86 HB2 ALA 13 1HB ALA 13 10.041 4.906 -2.875 87 HB3 ALA 13 2HB ALA 13 9.960 3.990 -1.370 88 H VAL 14 H VAL 14 7.899 2.866 -0.490 89 HA VAL 14 HA VAL 14 7.396 0.917 -2.531 90 HB VAL 14 HB VAL 14 6.634 0.971 0.411 91 HG11 VAL 14 1HG1 VAL 14 5.532 -0.828 -0.933 92 HG12 VAL 14 2HG1 VAL 14 6.654 -1.460 0.272 93 HG13 VAL 14 3HG1 VAL 14 7.131 -1.391 -1.422 94 HG21 VAL 14 3HG2 VAL 14 8.970 -0.603 -0.335 95 HG22 VAL 14 1HG2 VAL 14 8.817 0.642 0.903 96 HG23 VAL 14 2HG2 VAL 14 9.176 1.094 -0.763 97 H ALA 15 H ALA 15 5.211 2.854 -0.475 98 HA ALA 15 HA ALA 15 2.740 1.698 -1.352 99 HB1 ALA 15 3HB ALA 15 2.764 3.039 0.618 100 HB2 ALA 15 1HB ALA 15 1.898 4.017 -0.566 101 HB3 ALA 15 2HB ALA 15 3.588 4.365 -0.203 102 H SER 16 H SER 16 4.695 4.417 -2.576 103 HA SER 16 HA SER 16 2.895 5.307 -4.621 104 HG SER 16 HG SER 16 5.236 7.664 -3.896 105 HB2 SER 16 2HB SER 16 5.905 5.391 -4.271 106 HB3 SER 16 1HB SER 16 5.071 6.236 -5.572 107 H LYS 17 H LYS 17 5.468 2.834 -4.579 108 HA LYS 17 HA LYS 17 5.472 2.189 -7.360 109 HB2 LYS 17 2HB LYS 17 6.915 1.432 -5.231 110 HB3 LYS 17 1HB LYS 17 5.800 0.069 -5.277 111 HG2 LYS 17 2HG LYS 17 6.630 0.542 -7.950 112 HG3 LYS 17 1HG LYS 17 8.081 0.550 -6.952 113 HD2 LYS 17 2HD LYS 17 7.916 -1.667 -6.489 114 HD3 LYS 17 1HD LYS 17 6.171 -1.584 -6.263 115 HE2 LYS 17 2HE LYS 17 6.014 -2.675 -8.255 116 HE3 LYS 17 1HE LYS 17 6.493 -1.141 -9.005 117 HZ1 LYS 17 3HZ LYS 17 7.938 -3.233 -9.412 118 HZ2 LYS 17 1HZ LYS 17 8.540 -2.937 -7.853 119 HZ3 LYS 17 2HZ LYS 17 8.710 -1.758 -9.068 120 H ILE 18 H ILE 18 3.432 1.069 -4.659 121 HA ILE 18 HA ILE 18 2.023 -0.975 -6.109 122 HB ILE 18 HB ILE 18 1.432 0.697 -3.653 123 HG12 ILE 18 2HG1 ILE 18 2.261 -2.186 -4.118 124 HG13 ILE 18 1HG1 ILE 18 3.240 -0.908 -3.402 125 HG21 ILE 18 1HG2 ILE 18 -0.295 -1.299 -3.328 126 HG22 ILE 18 2HG2 ILE 18 -0.273 -1.306 -5.092 127 HG23 ILE 18 3HG2 ILE 18 -0.752 0.152 -4.222 128 HD11 ILE 18 3HD1 ILE 18 0.617 -1.415 -2.100 129 HD12 ILE 18 1HD1 ILE 18 2.182 -1.042 -1.376 130 HD13 ILE 18 2HD1 ILE 18 1.831 -2.682 -1.922 131 H VAL 19 H VAL 19 1.530 2.525 -5.747 132 HA VAL 19 HA VAL 19 -1.115 2.685 -6.821 133 HB VAL 19 HB VAL 19 1.259 4.546 -6.634 134 HG11 VAL 19 1HG1 VAL 19 -1.477 5.153 -7.794 135 HG12 VAL 19 2HG1 VAL 19 0.072 5.267 -8.632 136 HG13 VAL 19 3HG1 VAL 19 -0.305 6.382 -7.319 137 HG21 VAL 19 3HG2 VAL 19 0.057 4.012 -4.561 138 HG22 VAL 19 1HG2 VAL 19 -1.474 4.459 -5.314 139 HG23 VAL 19 2HG2 VAL 19 -0.247 5.688 -5.014 140 H GLY 20 H GLY 20 2.074 3.056 -8.449 141 HA2 GLY 20 2HA GLY 20 0.831 3.152 -11.098 142 HA3 GLY 20 1HA GLY 20 2.560 3.108 -10.767 143 H LEU 21 H LEU 21 1.725 0.594 -8.985 144 HA LEU 21 HA LEU 21 2.144 -1.350 -11.192 145 HG LEU 21 HG LEU 21 2.005 -3.701 -9.711 146 HB2 LEU 21 2HB LEU 21 3.652 -1.234 -9.216 147 HB3 LEU 21 1HB LEU 21 2.283 -1.595 -8.168 148 HD11 LEU 21 1HD1 LEU 21 3.963 -4.466 -10.808 149 HD12 LEU 21 2HD1 LEU 21 4.979 -3.270 -10.005 150 HD13 LEU 21 3HD1 LEU 21 3.846 -2.765 -11.259 151 HD21 LEU 21 3HD2 LEU 21 3.324 -3.164 -7.265 152 HD22 LEU 21 1HD2 LEU 21 4.386 -4.253 -8.159 153 HD23 LEU 21 2HD2 LEU 21 2.719 -4.721 -7.829 154 H TRP 22 H TRP 22 -0.290 -0.357 -8.874 155 HA TRP 22 HA TRP 22 -1.853 -2.758 -8.787 156 HD1 TRP 22 HD1 TRP 22 -4.080 -3.262 -7.882 157 HE1 TRP 22 HE1 TRP 22 -6.626 -2.890 -7.815 158 HE3 TRP 22 HE3 TRP 22 -4.243 1.834 -8.177 159 HZ2 TRP 22 HZ2 TRP 22 -8.490 -0.727 -7.878 160 HZ3 TRP 22 HZ3 TRP 22 -6.417 3.023 -8.171 161 HH2 TRP 22 HH2 TRP 22 -8.540 1.749 -8.021 162 HB2 TRP 22 2HB TRP 22 -2.112 -1.061 -7.116 163 HB3 TRP 22 1HB TRP 22 -2.380 0.191 -8.328 164 H ARG 23 H ARG 23 -3.253 -3.574 -10.265 165 HA ARG 23 HA ARG 23 -3.798 -2.057 -12.771 166 HE ARG 23 HE ARG 23 -2.123 -5.424 -15.737 167 HB2 ARG 23 2HB ARG 23 -2.867 -4.554 -12.319 168 HB3 ARG 23 1HB ARG 23 -4.593 -4.907 -12.342 169 HG2 ARG 23 2HG ARG 23 -4.605 -3.473 -14.529 170 HG3 ARG 23 1HG ARG 23 -2.866 -3.763 -14.528 171 HD2 ARG 23 2HD ARG 23 -3.871 -6.290 -14.027 172 HD3 ARG 23 1HD ARG 23 -5.055 -5.620 -15.166 173 HH11 ARG 23 2HH1 ARG 23 -3.227 -8.018 -16.604 174 HH12 ARG 23 1HH1 ARG 23 -3.785 -7.690 -18.210 175 HH21 ARG 23 1HH2 ARG 23 -3.754 -4.237 -17.794 176 HH22 ARG 23 2HH2 ARG 23 -4.087 -5.538 -18.887 177 H ASN 24 H ASN 24 -6.221 -3.392 -13.469 178 HA ASN 24 HA ASN 24 -8.254 -1.821 -12.384 179 HB2 ASN 24 2HB ASN 24 -8.044 -4.471 -13.728 180 HB3 ASN 24 1HB ASN 24 -9.583 -4.116 -12.946 181 HD21 ASN 24 1HD2 ASN 24 -8.301 -3.984 -15.921 182 HD22 ASN 24 2HD2 ASN 24 -9.027 -2.572 -16.523 183 H GLU 25 H GLU 25 -7.200 -5.043 -11.219 184 HA GLU 25 HA GLU 25 -8.010 -4.383 -8.474 185 HB2 GLU 25 2HB GLU 25 -9.695 -6.200 -8.360 186 HB3 GLU 25 1HB GLU 25 -10.142 -4.985 -9.556 187 HG2 GLU 25 2HG GLU 25 -8.556 -6.820 -10.971 188 HG3 GLU 25 1HG GLU 25 -9.577 -7.817 -9.937 189 H LYS 26 H LYS 26 -5.527 -5.225 -9.787 190 HA LYS 26 HA LYS 26 -4.850 -7.524 -8.053 191 HB2 LYS 26 2HB LYS 26 -5.842 -8.288 -10.309 192 HB3 LYS 26 1HB LYS 26 -4.370 -7.648 -11.038 193 HG2 LYS 26 2HG LYS 26 -3.207 -9.110 -9.138 194 HG3 LYS 26 1HG LYS 26 -4.719 -10.011 -9.233 195 HD2 LYS 26 2HD LYS 26 -3.575 -11.120 -10.890 196 HD3 LYS 26 1HD LYS 26 -4.210 -9.793 -11.863 197 HE2 LYS 26 2HE LYS 26 -1.885 -9.837 -12.388 198 HE3 LYS 26 1HE LYS 26 -2.024 -8.535 -11.193 199 HZ1 LYS 26 3HZ LYS 26 -1.761 -11.157 -10.016 200 HZ2 LYS 26 1HZ LYS 26 -0.925 -9.723 -9.663 201 HZ3 LYS 26 2HZ LYS 26 -0.414 -10.706 -10.949 202 H THR 27 H THR 27 -2.501 -7.754 -7.847 203 HA THR 27 HA THR 27 -0.763 -5.872 -9.309 204 HB THR 27 HB THR 27 -1.919 -4.644 -7.395 205 HG1 THR 27 HG1 THR 27 -0.166 -3.591 -7.892 206 HG21 THR 27 3HG2 THR 27 -0.009 -6.103 -5.591 207 HG22 THR 27 1HG2 THR 27 -1.623 -6.748 -5.882 208 HG23 THR 27 2HG2 THR 27 -1.430 -5.149 -5.163 209 H GLU 28 H GLU 28 1.505 -6.355 -8.952 210 HA GLU 28 HA GLU 28 1.974 -9.038 -7.690 211 HB2 GLU 28 2HB GLU 28 3.097 -7.623 -10.118 212 HB3 GLU 28 1HB GLU 28 3.911 -9.016 -9.407 213 HG2 GLU 28 2HG GLU 28 2.549 -10.292 -10.685 214 HG3 GLU 28 1HG GLU 28 1.267 -9.849 -9.563 215 H LEU 29 H LEU 29 2.926 -8.626 -5.700 216 HA LEU 29 HA LEU 29 4.975 -6.440 -5.554 217 HG LEU 29 HG LEU 29 1.729 -6.933 -4.635 218 HB2 LEU 29 2HB LEU 29 3.507 -7.781 -3.273 219 HB3 LEU 29 1HB LEU 29 4.332 -6.229 -3.255 220 HD11 LEU 29 1HD1 LEU 29 1.772 -6.262 -2.199 221 HD12 LEU 29 2HD1 LEU 29 0.805 -5.209 -3.233 222 HD13 LEU 29 3HD1 LEU 29 2.410 -4.698 -2.709 223 HD21 LEU 29 3HD2 LEU 29 2.259 -4.178 -4.981 224 HD22 LEU 29 1HD2 LEU 29 2.204 -5.412 -6.237 225 HD23 LEU 29 2HD2 LEU 29 3.737 -5.007 -5.470 226 H LEU 30 H LEU 30 7.095 -7.066 -5.187 227 HA LEU 30 HA LEU 30 8.953 -8.428 -4.647 228 HG LEU 30 HG LEU 30 9.917 -9.611 -3.122 229 HB2 LEU 30 2HB LEU 30 7.279 -8.472 -2.536 230 HB3 LEU 30 1HB LEU 30 7.200 -10.176 -2.972 231 HD11 LEU 30 1HD1 LEU 30 10.269 -7.747 -1.887 232 HD12 LEU 30 2HD1 LEU 30 9.815 -8.716 -0.487 233 HD13 LEU 30 3HD1 LEU 30 8.605 -7.730 -1.305 234 HD21 LEU 30 3HD2 LEU 30 9.101 -11.656 -2.194 235 HD22 LEU 30 1HD2 LEU 30 8.179 -10.809 -0.954 236 HD23 LEU 30 2HD2 LEU 30 9.939 -10.843 -0.873 237 H GLY 31 H GLY 31 7.112 -9.167 -6.908 238 HA2 GLY 31 2HA GLY 31 7.048 -10.913 -8.488 239 HA3 GLY 31 1HA GLY 31 8.224 -11.777 -7.498 240 H HIS 32 H HIS 32 5.296 -10.674 -5.960 241 HA HIS 32 HA HIS 32 4.259 -13.485 -5.943 242 HD1 HIS 32 HD1 HIS 32 5.514 -14.789 -4.777 243 HD2 HIS 32 HD2 HIS 32 6.519 -11.640 -2.239 244 HE1 HIS 32 HE1 HIS 32 7.725 -15.407 -3.711 245 HB2 HIS 32 2HB HIS 32 4.289 -11.299 -3.839 246 HB3 HIS 32 1HB HIS 32 3.449 -12.831 -3.650 247 H GLU 33 H GLU 33 1.870 -13.618 -5.734 248 HA GLU 33 HA GLU 33 0.530 -11.514 -7.307 249 HB2 GLU 33 2HB GLU 33 0.175 -14.333 -6.608 250 HB3 GLU 33 1HB GLU 33 -1.339 -13.432 -6.520 251 HG2 GLU 33 2HG GLU 33 0.042 -12.571 -8.868 252 HG3 GLU 33 1HG GLU 33 0.050 -14.334 -8.857 253 H CYS 34 H CYS 34 -0.606 -9.880 -6.397 254 HA CYS 34 HA CYS 34 -1.658 -10.204 -3.610 255 HB2 CYS 34 2HB CYS 34 -0.061 -8.011 -4.915 256 HB3 CYS 34 1HB CYS 34 -1.088 -7.662 -3.529 257 H LYS 35 H LYS 35 -3.441 -8.577 -3.187 258 HA LYS 35 HA LYS 35 -4.941 -7.905 -5.692 259 HB2 LYS 35 2HB LYS 35 -5.647 -9.965 -4.321 260 HB3 LYS 35 1HB LYS 35 -6.185 -8.818 -3.095 261 HG2 LYS 35 2HG LYS 35 -8.139 -8.850 -4.271 262 HG3 LYS 35 1HG LYS 35 -7.297 -7.725 -5.337 263 HD2 LYS 35 2HD LYS 35 -6.567 -9.583 -6.760 264 HD3 LYS 35 1HD LYS 35 -7.344 -10.738 -5.677 265 HE2 LYS 35 2HE LYS 35 -9.448 -10.263 -6.471 266 HE3 LYS 35 1HE LYS 35 -9.082 -8.539 -6.685 267 HZ1 LYS 35 3HZ LYS 35 -8.078 -10.765 -8.386 268 HZ2 LYS 35 1HZ LYS 35 -7.642 -9.134 -8.556 269 HZ3 LYS 35 2HZ LYS 35 -9.247 -9.616 -8.831 270 H PHE 36 H PHE 36 -4.747 -5.701 -5.720 271 HA PHE 36 HA PHE 36 -5.275 -4.161 -3.203 272 HD1 PHE 36 HD1 PHE 36 -5.435 -1.208 -5.519 273 HD2 PHE 36 HD2 PHE 36 -2.476 -2.514 -2.693 274 HE1 PHE 36 HE1 PHE 36 -5.360 1.069 -4.547 275 HE2 PHE 36 HE2 PHE 36 -2.405 -0.238 -1.719 276 HZ PHE 36 HZ PHE 36 -3.847 1.553 -2.645 277 HB2 PHE 36 2HB PHE 36 -3.103 -3.930 -4.491 278 HB3 PHE 36 1HB PHE 36 -4.039 -3.317 -5.847 279 H THR 37 H THR 37 -7.136 -2.812 -3.179 280 HA THR 37 HA THR 37 -8.529 -2.295 -5.767 281 HB THR 37 HB THR 37 -10.657 -3.135 -4.679 282 HG1 THR 37 HG1 THR 37 -10.504 -4.257 -2.817 283 HG21 THR 37 3HG2 THR 37 -8.550 -5.293 -4.833 284 HG22 THR 37 1HG2 THR 37 -9.149 -4.464 -6.270 285 HG23 THR 37 2HG2 THR 37 -10.255 -5.401 -5.267 286 H VAL 38 H VAL 38 -10.013 -0.541 -5.684 287 HA VAL 38 HA VAL 38 -10.009 1.102 -3.173 288 HB VAL 38 HB VAL 38 -9.851 1.998 -6.077 289 HG11 VAL 38 1HG1 VAL 38 -9.944 3.530 -3.463 290 HG12 VAL 38 2HG1 VAL 38 -11.082 3.637 -4.807 291 HG13 VAL 38 3HG1 VAL 38 -9.439 4.253 -4.991 292 HG21 VAL 38 3HG2 VAL 38 -7.822 1.913 -3.826 293 HG22 VAL 38 1HG2 VAL 38 -7.598 2.886 -5.279 294 HG23 VAL 38 2HG2 VAL 38 -7.710 1.130 -5.402 295 H LYS 39 H LYS 39 -12.098 1.699 -2.528 296 HA LYS 39 HA LYS 39 -14.305 1.412 -4.517 297 HB2 LYS 39 2HB LYS 39 -15.552 0.401 -2.460 298 HB3 LYS 39 1HB LYS 39 -14.415 -0.616 -3.335 299 HG2 LYS 39 2HG LYS 39 -13.379 1.013 -1.043 300 HG3 LYS 39 1HG LYS 39 -14.334 -0.422 -0.677 301 HD2 LYS 39 2HD LYS 39 -12.353 -0.931 -2.764 302 HD3 LYS 39 1HD LYS 39 -11.609 -0.378 -1.265 303 HE2 LYS 39 2HE LYS 39 -11.759 -2.602 -0.695 304 HE3 LYS 39 1HE LYS 39 -13.430 -2.171 -0.286 305 HZ1 LYS 39 3HZ LYS 39 -14.209 -2.893 -2.340 306 HZ2 LYS 39 1HZ LYS 39 -13.068 -4.082 -1.937 307 HZ3 LYS 39 2HZ LYS 39 -12.671 -2.870 -3.061 308 HA PRO 40 HA PRO 40 -15.173 5.380 -2.621 309 HB2 PRO 40 2HB PRO 40 -17.025 6.167 -4.465 310 HB3 PRO 40 1HB PRO 40 -15.278 6.249 -4.756 311 HG2 PRO 40 2HG PRO 40 -17.270 4.305 -5.758 312 HG3 PRO 40 1HG PRO 40 -15.796 4.910 -6.525 313 HD2 PRO 40 2HD PRO 40 -16.073 2.439 -5.287 314 HD3 PRO 40 1HD PRO 40 -14.533 3.244 -5.657 315 H TYR 41 H TYR 41 -17.028 6.249 -1.457 316 HA TYR 41 HA TYR 41 -19.483 4.549 -1.397 317 HD1 TYR 41 HD1 TYR 41 -19.816 2.520 -0.398 318 HD2 TYR 41 HD2 TYR 41 -15.987 3.758 1.103 319 HE1 TYR 41 HE1 TYR 41 -18.989 0.190 -0.584 320 HE2 TYR 41 HE2 TYR 41 -15.162 1.428 0.914 321 HH TYR 41 HH TYR 41 -16.774 -1.092 0.871 322 HB2 TYR 41 2HB TYR 41 -17.695 5.336 0.913 323 HB3 TYR 41 1HB TYR 41 -19.324 4.726 1.132 324 H LEU 42 H LEU 42 -20.884 5.781 0.511 325 HA LEU 42 HA LEU 42 -20.759 8.720 0.107 326 HG LEU 42 HG LEU 42 -22.087 9.928 -0.857 327 HB2 LEU 42 2HB LEU 42 -22.166 7.248 -1.628 328 HB3 LEU 42 1HB LEU 42 -23.376 7.352 -0.351 329 HD11 LEU 42 1HD1 LEU 42 -21.943 9.045 -3.152 330 HD12 LEU 42 2HD1 LEU 42 -23.163 10.315 -3.049 331 HD13 LEU 42 3HD1 LEU 42 -23.655 8.622 -3.103 332 HD21 LEU 42 3HD2 LEU 42 -24.253 10.720 -0.535 333 HD22 LEU 42 1HD2 LEU 42 -24.333 9.188 0.334 334 HD23 LEU 42 2HD2 LEU 42 -24.992 9.311 -1.297 335 H LYS 43 H LYS 43 -22.217 9.866 1.595 336 HA LYS 43 HA LYS 43 -23.120 8.244 3.949 337 HB2 LYS 43 2HB LYS 43 -20.884 9.695 3.953 338 HB3 LYS 43 1HB LYS 43 -22.015 11.019 4.221 339 HG2 LYS 43 2HG LYS 43 -21.959 10.462 6.411 340 HG3 LYS 43 1HG LYS 43 -22.891 9.032 5.972 341 HD2 LYS 43 2HD LYS 43 -21.140 7.666 6.357 342 HD3 LYS 43 1HD LYS 43 -20.062 8.670 5.388 343 HE2 LYS 43 2HE LYS 43 -19.978 10.274 7.393 344 HE3 LYS 43 1HE LYS 43 -20.737 8.971 8.328 345 HZ1 LYS 43 3HZ LYS 43 -18.252 8.713 6.713 346 HZ2 LYS 43 1HZ LYS 43 -18.985 7.471 7.606 347 HZ3 LYS 43 2HZ LYS 43 -18.316 8.811 8.409 348 H ARG 44 H ARG 44 -24.578 9.799 5.372 349 HA ARG 44 HA ARG 44 -26.994 10.378 4.187 350 HE ARG 44 HE ARG 44 -25.949 8.172 6.588 351 HB2 ARG 44 2HB ARG 44 -25.477 11.404 6.535 352 HB3 ARG 44 1HB ARG 44 -26.930 12.294 6.082 353 HG2 ARG 44 2HG ARG 44 -28.249 10.693 6.952 354 HG3 ARG 44 1HG ARG 44 -27.453 9.454 5.983 355 HD2 ARG 44 2HD ARG 44 -25.964 10.494 8.365 356 HD3 ARG 44 1HD ARG 44 -27.327 9.396 8.656 357 HH11 ARG 44 1HH2 ARG 44 -23.673 9.720 8.093 358 HH12 ARG 44 2HH2 ARG 44 -23.044 8.434 9.068 359 HH21 ARG 44 2HH1 ARG 44 -25.772 6.346 8.540 360 HH22 ARG 44 1HH1 ARG 44 -24.235 6.517 9.319 361 H PHE 45 H PHE 45 -24.194 12.569 4.311 362 HA PHE 45 HA PHE 45 -25.256 14.088 2.019 363 HD1 PHE 45 HD2 PHE 45 -25.044 17.017 1.726 364 HD2 PHE 45 HD1 PHE 45 -27.960 15.117 4.246 365 HE1 PHE 45 HE2 PHE 45 -26.861 18.176 0.500 366 HE2 PHE 45 HE1 PHE 45 -29.776 16.277 3.019 367 HZ PHE 45 HZ PHE 45 -29.226 17.806 1.146 368 HB2 PHE 45 2HB PHE 45 -25.669 14.874 4.733 369 HB3 PHE 45 1HB PHE 45 -24.492 15.990 4.042 370 H GLN 46 H GLN 46 -22.951 12.442 2.180 371 HA GLN 46 HA GLN 46 -20.844 14.383 1.505 372 HB2 GLN 46 2HB GLN 46 -21.105 13.211 4.148 373 HB3 GLN 46 1HB GLN 46 -19.580 12.729 3.407 374 HG2 GLN 46 2HG GLN 46 -20.351 15.594 3.131 375 HG3 GLN 46 1HG GLN 46 -19.855 15.053 4.735 376 HE21 GLN 46 1HE2 GLN 46 -17.678 15.633 4.967 377 HE22 GLN 46 2HE2 GLN 46 -16.477 15.363 3.798 378 H VAL 47 H VAL 47 -18.768 13.164 0.916 379 HA VAL 47 HA VAL 47 -19.408 10.451 -0.209 380 HB VAL 47 HB VAL 47 -17.657 12.677 -1.315 381 HG11 VAL 47 1HG1 VAL 47 -17.801 11.162 -3.389 382 HG12 VAL 47 2HG1 VAL 47 -18.358 9.901 -2.288 383 HG13 VAL 47 3HG1 VAL 47 -16.757 10.613 -2.078 384 HG21 VAL 47 3HG2 VAL 47 -20.433 11.689 -2.032 385 HG22 VAL 47 1HG2 VAL 47 -19.462 12.689 -3.113 386 HG23 VAL 47 2HG2 VAL 47 -19.965 13.318 -1.545 387 H TYR 48 H TYR 48 -17.961 8.844 0.379 388 HA TYR 48 HA TYR 48 -15.354 9.694 1.596 389 HD1 TYR 48 HD2 TYR 48 -14.833 9.772 4.240 390 HD2 TYR 48 HD1 TYR 48 -19.014 9.352 3.341 391 HE1 TYR 48 HE2 TYR 48 -15.358 11.611 5.816 392 HE2 TYR 48 HE1 TYR 48 -19.536 11.192 4.916 393 HH TYR 48 HH TYR 48 -17.793 13.365 5.845 394 HB2 TYR 48 2HB TYR 48 -17.458 7.735 2.542 395 HB3 TYR 48 1HB TYR 48 -15.804 7.687 3.152 396 H TYR 49 H TYR 49 -13.666 8.749 0.526 397 HA TYR 49 HA TYR 49 -14.199 6.404 -1.221 398 HD1 TYR 49 HD2 TYR 49 -15.049 8.797 -1.892 399 HD2 TYR 49 HD1 TYR 49 -11.612 7.449 -4.086 400 HE1 TYR 49 HE2 TYR 49 -16.185 9.363 -4.023 401 HE2 TYR 49 HE1 TYR 49 -12.742 8.024 -6.214 402 HH TYR 49 HH TYR 49 -14.965 8.370 -7.088 403 HB2 TYR 49 2HB TYR 49 -12.253 8.657 -1.056 404 HB3 TYR 49 1HB TYR 49 -11.668 7.156 -1.769 405 H LYS 50 H LYS 50 -13.380 4.392 -0.726 406 HA LYS 50 HA LYS 50 -11.434 4.206 1.552 407 HB2 LYS 50 2HB LYS 50 -14.072 3.090 1.089 408 HB3 LYS 50 1HB LYS 50 -12.891 1.804 1.326 409 HG2 LYS 50 2HG LYS 50 -12.378 3.897 3.228 410 HG3 LYS 50 1HG LYS 50 -14.084 3.456 3.310 411 HD2 LYS 50 2HD LYS 50 -13.262 1.009 3.324 412 HD3 LYS 50 1HD LYS 50 -11.672 1.679 3.692 413 HE2 LYS 50 2HE LYS 50 -12.321 2.424 5.800 414 HE3 LYS 50 1HE LYS 50 -14.022 2.595 5.328 415 HZ1 LYS 50 3HZ LYS 50 -14.199 0.199 5.157 416 HZ2 LYS 50 1HZ LYS 50 -13.669 0.624 6.711 417 HZ3 LYS 50 2HZ LYS 50 -12.563 0.013 5.577 418 H GLY 51 H GLY 51 -10.094 2.188 1.441 419 HA2 GLY 51 2HA GLY 51 -9.901 0.836 -1.152 420 HA3 GLY 51 1HA GLY 51 -8.531 1.875 -0.771 421 H ARG 52 H ARG 52 -9.078 -1.208 -0.866 422 HA ARG 52 HA ARG 52 -7.560 -1.779 1.645 423 HE ARG 52 HE ARG 52 -10.344 -6.081 4.032 424 HB2 ARG 52 2HB ARG 52 -10.048 -2.189 1.848 425 HB3 ARG 52 1HB ARG 52 -9.889 -3.403 0.578 426 HG2 ARG 52 2HG ARG 52 -8.829 -4.897 1.950 427 HG3 ARG 52 1HG ARG 52 -7.980 -3.634 2.840 428 HD2 ARG 52 2HD ARG 52 -9.491 -3.917 4.509 429 HD3 ARG 52 1HD ARG 52 -10.724 -3.254 3.419 430 HH11 ARG 52 1HH2 ARG 52 -12.874 -4.438 3.223 431 HH12 ARG 52 2HH2 ARG 52 -13.275 -5.226 1.734 432 HH21 ARG 52 2HH1 ARG 52 -10.199 -6.815 1.441 433 HH22 ARG 52 1HH1 ARG 52 -11.756 -6.577 0.722 434 H MET 53 H MET 53 -6.024 -3.453 1.402 435 HA MET 53 HA MET 53 -5.972 -4.923 -1.193 436 HB2 MET 53 2HB MET 53 -3.706 -4.255 -1.610 437 HB3 MET 53 1HB MET 53 -4.595 -2.787 -1.228 438 HG2 MET 53 2HG MET 53 -2.884 -2.426 0.234 439 HG3 MET 53 1HG MET 53 -3.778 -3.541 1.262 440 HE1 MET 53 3HE MET 53 -0.790 -4.094 -1.817 441 HE2 MET 53 1HE MET 53 0.189 -3.601 -0.429 442 HE3 MET 53 2HE MET 53 -1.193 -2.629 -0.925 443 H TRP 54 H TRP 54 -4.926 -6.950 -1.068 444 HA TRP 54 HA TRP 54 -3.671 -7.793 1.474 445 HD1 TRP 54 HD1 TRP 54 -6.009 -11.075 -0.446 446 HE1 TRP 54 HE1 TRP 54 -7.905 -10.798 -2.172 447 HE3 TRP 54 HE3 TRP 54 -7.465 -6.290 0.599 448 HZ2 TRP 54 HZ2 TRP 54 -9.785 -8.806 -3.000 449 HZ3 TRP 54 HZ3 TRP 54 -9.305 -5.229 -0.675 450 HH2 TRP 54 HH2 TRP 54 -10.468 -6.481 -2.472 451 HB2 TRP 54 2HB TRP 54 -5.309 -9.688 1.681 452 HB3 TRP 54 1HB TRP 54 -6.037 -8.103 1.919 453 H CYS 55 H CYS 55 -2.316 -9.622 1.203 454 HA CYS 55 HA CYS 55 -1.979 -10.519 -1.634 455 HB2 CYS 55 2HB CYS 55 -0.087 -10.227 0.706 456 HB3 CYS 55 1HB CYS 55 0.376 -11.000 -0.806 457 HA PRO 56 HA PRO 56 -3.278 -14.318 0.576 458 HB2 PRO 56 2HB PRO 56 -4.833 -15.302 -1.449 459 HB3 PRO 56 1HB PRO 56 -5.432 -14.142 -0.248 460 HG2 PRO 56 2HG PRO 56 -4.624 -13.701 -3.062 461 HG3 PRO 56 1HG PRO 56 -5.861 -12.885 -2.097 462 HD2 PRO 56 2HD PRO 56 -3.347 -11.869 -2.675 463 HD3 PRO 56 1HD PRO 56 -4.401 -11.310 -1.371 464 H GLY 57 H GLY 57 -0.975 -14.896 0.264 465 HA2 GLY 57 2HA GLY 57 -0.326 -17.225 -0.939 466 HA3 GLY 57 1HA GLY 57 -0.200 -16.113 -2.302 467 H TRP 58 H TRP 58 0.869 -13.860 -1.107 468 HA TRP 58 HA TRP 58 3.666 -14.555 -0.844 469 HD1 TRP 58 HD1 TRP 58 5.399 -13.627 0.201 470 HE1 TRP 58 HE1 TRP 58 7.206 -11.861 0.696 471 HE3 TRP 58 HE3 TRP 58 2.865 -9.384 -1.087 472 HZ2 TRP 58 HZ2 TRP 58 7.538 -9.024 0.562 473 HZ3 TRP 58 HZ3 TRP 58 3.951 -7.166 -0.896 474 HH2 TRP 58 HH2 TRP 58 6.282 -6.979 -0.074 475 HB2 TRP 58 2HB TRP 58 2.816 -12.469 -1.848 476 HB3 TRP 58 1HB TRP 58 2.108 -12.002 -0.309 477 H THR 59 H THR 59 1.418 -12.980 1.465 478 HA THR 59 HA THR 59 2.572 -14.521 3.701 479 HB THR 59 HB THR 59 4.115 -12.626 3.352 480 HG1 THR 59 HG1 THR 59 4.140 -12.774 5.436 481 HG21 THR 59 3HG2 THR 59 2.464 -10.433 4.143 482 HG22 THR 59 1HG2 THR 59 1.687 -11.234 2.777 483 HG23 THR 59 2HG2 THR 59 3.342 -10.646 2.629 484 H ALA 60 H ALA 60 1.508 -12.877 5.753 485 HA ALA 60 HA ALA 60 -1.434 -12.996 5.176 486 HB1 ALA 60 3HB ALA 60 -1.618 -13.626 7.580 487 HB2 ALA 60 1HB ALA 60 0.138 -13.536 7.720 488 HB3 ALA 60 2HB ALA 60 -0.602 -14.757 6.684 489 H ILE 61 H ILE 61 -0.083 -10.616 4.620 490 HA ILE 61 HA ILE 61 -0.878 -8.838 6.903 491 HB ILE 61 HB ILE 61 1.422 -8.726 4.927 492 HG12 ILE 61 2HG1 ILE 61 1.396 -8.606 7.959 493 HG13 ILE 61 1HG1 ILE 61 1.623 -10.095 7.044 494 HG21 ILE 61 1HG2 ILE 61 0.507 -6.468 5.099 495 HG22 ILE 61 2HG2 ILE 61 2.012 -6.552 6.013 496 HG23 ILE 61 3HG2 ILE 61 0.465 -6.589 6.857 497 HD11 ILE 61 3HD1 ILE 61 3.611 -9.136 5.951 498 HD12 ILE 61 1HD1 ILE 61 3.795 -9.112 7.704 499 HD13 ILE 61 2HD1 ILE 61 3.381 -7.631 6.841 500 H ARG 62 H ARG 62 -1.920 -6.843 6.277 501 HA ARG 62 HA ARG 62 -2.611 -6.559 3.395 502 HE ARG 62 HE ARG 62 -5.482 -6.977 8.512 503 HB2 ARG 62 2HB ARG 62 -4.989 -6.057 4.255 504 HB3 ARG 62 1HB ARG 62 -4.479 -7.739 4.239 505 HG2 ARG 62 2HG ARG 62 -3.981 -7.665 6.619 506 HG3 ARG 62 1HG ARG 62 -4.298 -5.929 6.666 507 HD2 ARG 62 2HD ARG 62 -6.664 -6.429 5.891 508 HD3 ARG 62 1HD ARG 62 -6.304 -8.148 6.150 509 HH11 ARG 62 2HH1 ARG 62 -7.772 -8.773 8.653 510 HH12 ARG 62 1HH1 ARG 62 -9.080 -7.738 9.114 511 HH21 ARG 62 1HH2 ARG 62 -7.421 -4.810 8.243 512 HH22 ARG 62 2HH2 ARG 62 -8.880 -5.487 8.887 513 H GLY 63 H GLY 63 -3.732 -4.413 3.014 514 HA2 GLY 63 2HA GLY 63 -2.887 -2.314 4.953 515 HA3 GLY 63 1HA GLY 63 -2.411 -2.163 3.265 516 H GLU 64 H GLU 64 -4.539 -0.925 5.318 517 HA GLU 64 HA GLU 64 -6.737 -0.777 3.288 518 HB2 GLU 64 2HB GLU 64 -6.764 -0.765 6.316 519 HB3 GLU 64 1HB GLU 64 -8.181 -0.412 5.335 520 HG2 GLU 64 2HG GLU 64 -8.556 -2.651 5.425 521 HG3 GLU 64 1HG GLU 64 -7.301 -2.746 4.192 522 H ALA 65 H ALA 65 -8.038 1.289 3.535 523 HA ALA 65 HA ALA 65 -6.755 3.616 4.766 524 HB1 ALA 65 3HB ALA 65 -5.341 3.099 2.769 525 HB2 ALA 65 1HB ALA 65 -6.108 4.683 2.667 526 HB3 ALA 65 2HB ALA 65 -6.759 3.327 1.747 527 H SER 66 H SER 66 -8.032 5.563 4.511 528 HA SER 66 HA SER 66 -10.557 5.457 2.985 529 HG SER 66 HG SER 66 -10.689 3.401 4.969 530 HB2 SER 66 2HB SER 66 -10.917 6.074 5.869 531 HB3 SER 66 1HB SER 66 -11.996 5.234 4.766 532 H THR 67 H THR 67 -11.025 7.509 2.311 533 HA THR 67 HA THR 67 -10.704 9.900 3.886 534 HB THR 67 HB THR 67 -8.305 9.234 3.423 535 HG1 THR 67 HG1 THR 67 -7.963 11.284 3.512 536 HG21 THR 67 3HG2 THR 67 -7.421 9.428 1.190 537 HG22 THR 67 1HG2 THR 67 -8.967 10.010 0.572 538 HG23 THR 67 2HG2 THR 67 -8.807 8.340 1.116 539 H ARG 68 H ARG 68 -10.654 11.893 2.141 540 HA ARG 68 HA ARG 68 -13.002 11.433 0.435 541 HE ARG 68 HE ARG 68 -10.275 14.625 3.118 542 HB2 ARG 68 2HB ARG 68 -12.953 13.838 0.205 543 HB3 ARG 68 1HB ARG 68 -12.569 13.458 1.880 544 HG2 ARG 68 2HG ARG 68 -10.119 13.625 1.253 545 HG3 ARG 68 1HG ARG 68 -10.636 14.250 -0.312 546 HD2 ARG 68 2HD ARG 68 -10.577 16.294 0.704 547 HD3 ARG 68 1HD ARG 68 -12.101 15.795 1.466 548 HH11 ARG 68 1HH2 ARG 68 -8.155 16.498 2.286 549 HH12 ARG 68 2HH2 ARG 68 -8.374 17.840 3.358 550 HH21 ARG 68 2HH1 ARG 68 -11.593 16.905 4.282 551 HH22 ARG 68 1HH1 ARG 68 -10.332 18.072 4.495 552 H SER 69 H SER 69 -9.561 12.171 -0.029 553 HA SER 69 HA SER 69 -9.654 12.484 -2.890 554 HG SER 69 HG SER 69 -7.311 12.476 0.079 555 HB2 SER 69 2HB SER 69 -7.167 11.430 -1.716 556 HB3 SER 69 1HB SER 69 -7.440 12.930 -2.595 557 H GLN 70 H GLN 70 -9.580 10.949 -4.497 558 HA GLN 70 HA GLN 70 -9.994 8.147 -3.835 559 HB2 GLN 70 2HB GLN 70 -10.183 7.908 -6.271 560 HB3 GLN 70 1HB GLN 70 -11.065 9.336 -5.737 561 HG2 GLN 70 2HG GLN 70 -9.135 10.754 -6.366 562 HG3 GLN 70 1HG GLN 70 -8.276 9.322 -6.934 563 HE21 GLN 70 1HE2 GLN 70 -9.672 7.970 -8.615 564 HE22 GLN 70 2HE2 GLN 70 -10.505 8.888 -9.774 565 H SER 71 H SER 71 -7.252 10.063 -5.045 566 HA SER 71 HA SER 71 -5.568 7.703 -5.494 567 HG SER 71 HG SER 71 -4.649 9.643 -7.805 568 HB2 SER 71 2HB SER 71 -5.131 10.701 -5.496 569 HB3 SER 71 1HB SER 71 -3.850 9.547 -5.861 570 H GLY 72 H GLY 72 -6.018 10.167 -2.982 571 HA2 GLY 72 2HA GLY 72 -3.701 9.633 -1.423 572 HA3 GLY 72 1HA GLY 72 -5.207 10.291 -0.786 573 H VAL 73 H VAL 73 -6.874 8.017 -1.509 574 HA VAL 73 HA VAL 73 -6.380 6.332 0.789 575 HB VAL 73 HB VAL 73 -8.558 7.003 -0.619 576 HG11 VAL 73 1HG1 VAL 73 -7.802 5.758 -2.647 577 HG12 VAL 73 2HG1 VAL 73 -9.338 5.161 -2.020 578 HG13 VAL 73 3HG1 VAL 73 -7.851 4.263 -1.713 579 HG21 VAL 73 3HG2 VAL 73 -9.707 5.076 0.447 580 HG22 VAL 73 1HG2 VAL 73 -8.563 5.848 1.544 581 HG23 VAL 73 2HG2 VAL 73 -8.139 4.331 0.753 582 H ALA 74 H ALA 74 -5.750 5.989 -2.696 583 HA ALA 74 HA ALA 74 -5.013 3.213 -2.661 584 HB1 ALA 74 3HB ALA 74 -4.529 5.603 -4.424 585 HB2 ALA 74 1HB ALA 74 -5.442 4.136 -4.774 586 HB3 ALA 74 2HB ALA 74 -3.679 4.095 -4.762 587 H GLY 75 H GLY 75 -3.107 6.203 -2.226 588 HA2 GLY 75 2HA GLY 75 -0.568 4.882 -2.007 589 HA3 GLY 75 1HA GLY 75 -0.920 6.509 -1.426 590 H LYS 76 H LYS 76 -3.047 5.812 0.359 591 HA LYS 76 HA LYS 76 -1.565 5.075 2.710 592 HB2 LYS 76 2HB LYS 76 -4.305 5.826 1.916 593 HB3 LYS 76 1HB LYS 76 -4.231 4.779 3.333 594 HG2 LYS 76 2HG LYS 76 -2.253 6.507 3.964 595 HG3 LYS 76 1HG LYS 76 -3.270 7.572 2.990 596 HD2 LYS 76 2HD LYS 76 -4.218 7.855 5.098 597 HD3 LYS 76 1HD LYS 76 -5.220 6.559 4.443 598 HE2 LYS 76 2HE LYS 76 -2.890 5.379 5.652 599 HE3 LYS 76 1HE LYS 76 -3.643 6.486 6.816 600 HZ1 LYS 76 3HZ LYS 76 -4.981 4.319 5.285 601 HZ2 LYS 76 1HZ LYS 76 -5.817 5.481 6.195 602 HZ3 LYS 76 2HZ LYS 76 -4.762 4.394 6.965 603 H THR 77 H THR 77 -3.928 3.277 0.676 604 HA THR 77 HA THR 77 -4.048 0.903 2.252 605 HB THR 77 HB THR 77 -4.219 1.291 -0.761 606 HG1 THR 77 HG1 THR 77 -6.209 1.922 -0.416 607 HG21 THR 77 3HG2 THR 77 -5.781 -0.803 0.660 608 HG22 THR 77 1HG2 THR 77 -4.056 -1.102 0.456 609 HG23 THR 77 2HG2 THR 77 -5.075 -0.827 -0.956 610 H ALA 78 H ALA 78 -1.722 1.964 -0.207 611 HA ALA 78 HA ALA 78 -0.231 -0.551 -0.175 612 HB1 ALA 78 3HB ALA 78 1.260 0.729 -1.678 613 HB2 ALA 78 1HB ALA 78 0.414 2.217 -1.252 614 HB3 ALA 78 2HB ALA 78 -0.426 0.949 -2.147 615 H LYS 79 H LYS 79 -0.016 2.619 1.391 616 HA LYS 79 HA LYS 79 2.632 2.195 2.521 617 HB2 LYS 79 2HB LYS 79 1.040 4.332 2.049 618 HB3 LYS 79 1HB LYS 79 0.682 4.076 3.755 619 HG2 LYS 79 2HG LYS 79 2.995 4.294 4.359 620 HG3 LYS 79 1HG LYS 79 3.505 4.222 2.672 621 HD2 LYS 79 2HD LYS 79 3.501 6.492 2.799 622 HD3 LYS 79 1HD LYS 79 1.756 6.327 2.605 623 HE2 LYS 79 2HE LYS 79 2.841 6.059 5.381 624 HE3 LYS 79 1HE LYS 79 2.799 7.684 4.672 625 HZ1 LYS 79 3HZ LYS 79 0.541 5.777 4.959 626 HZ2 LYS 79 1HZ LYS 79 0.460 7.156 3.973 627 HZ3 LYS 79 2HZ LYS 79 0.687 7.322 5.649 628 H ASP 80 H ASP 80 -0.717 1.678 3.616 629 HA ASP 80 HA ASP 80 -0.097 1.115 6.377 630 HB2 ASP 80 2HB ASP 80 -2.365 0.674 4.463 631 HB3 ASP 80 1HB ASP 80 -2.388 -0.204 5.991 632 H PHE 81 H PHE 81 -0.357 -0.932 3.458 633 HA PHE 81 HA PHE 81 0.054 -3.442 4.852 634 HD1 PHE 81 HD2 PHE 81 -0.670 -5.802 3.302 635 HD2 PHE 81 HD1 PHE 81 2.375 -3.552 1.273 636 HE1 PHE 81 HE2 PHE 81 0.481 -7.911 2.689 637 HE2 PHE 81 HE1 PHE 81 3.524 -5.662 0.663 638 HZ PHE 81 HZ PHE 81 2.577 -7.841 1.371 639 HB2 PHE 81 2HB PHE 81 -0.994 -3.407 2.679 640 HB3 PHE 81 1HB PHE 81 0.337 -2.484 1.986 641 H VAL 82 H VAL 82 2.179 -1.097 3.236 642 HA VAL 82 HA VAL 82 4.608 -2.622 3.437 643 HB VAL 82 HB VAL 82 3.913 0.310 3.146 644 HG11 VAL 82 1HG1 VAL 82 6.610 -1.024 3.372 645 HG12 VAL 82 2HG1 VAL 82 6.045 0.458 4.143 646 HG13 VAL 82 3HG1 VAL 82 6.407 0.445 2.418 647 HG21 VAL 82 3HG2 VAL 82 4.621 -0.053 0.846 648 HG22 VAL 82 1HG2 VAL 82 3.447 -1.299 1.274 649 HG23 VAL 82 2HG2 VAL 82 5.166 -1.684 1.236 650 H ARG 83 H ARG 83 3.033 -0.244 5.592 651 HA ARG 83 HA ARG 83 5.151 -0.020 7.505 652 HE ARG 83 HE ARG 83 1.912 3.771 9.275 653 HB2 ARG 83 2HB ARG 83 2.817 1.211 7.128 654 HB3 ARG 83 1HB ARG 83 2.255 0.020 8.302 655 HG2 ARG 83 2HG ARG 83 4.422 0.788 9.626 656 HG3 ARG 83 1HG ARG 83 4.225 2.249 8.658 657 HD2 ARG 83 2HD ARG 83 1.652 1.437 9.708 658 HD3 ARG 83 1HD ARG 83 2.828 1.594 11.028 659 HH11 ARG 83 1HH2 ARG 83 2.636 3.628 12.326 660 HH12 ARG 83 2HH2 ARG 83 3.986 4.713 12.355 661 HH21 ARG 83 2HH1 ARG 83 4.391 4.711 8.901 662 HH22 ARG 83 1HH1 ARG 83 4.989 5.328 10.406 663 H LYS 84 H LYS 84 2.356 -2.257 7.329 664 HA LYS 84 HA LYS 84 3.035 -3.707 9.742 665 HB2 LYS 84 2HB LYS 84 0.846 -3.523 8.252 666 HB3 LYS 84 1HB LYS 84 1.550 -4.911 7.422 667 HG2 LYS 84 2HG LYS 84 1.465 -6.265 9.339 668 HG3 LYS 84 1HG LYS 84 1.352 -4.881 10.426 669 HD2 LYS 84 2HD LYS 84 -0.862 -4.864 8.563 670 HD3 LYS 84 1HD LYS 84 -0.784 -6.414 9.400 671 HE2 LYS 84 2HE LYS 84 -0.440 -3.923 11.039 672 HE3 LYS 84 1HE LYS 84 -2.074 -4.361 10.501 673 HZ1 LYS 84 3HZ LYS 84 -1.703 -6.607 11.352 674 HZ2 LYS 84 1HZ LYS 84 -1.559 -5.457 12.591 675 HZ3 LYS 84 2HZ LYS 84 -0.163 -6.154 11.914 676 H ALA 85 H ALA 85 3.817 -4.111 6.299 677 HA ALA 85 HA ALA 85 5.143 -6.668 6.558 678 HB1 ALA 85 3HB ALA 85 5.951 -6.092 4.287 679 HB2 ALA 85 1HB ALA 85 5.418 -4.427 4.525 680 HB3 ALA 85 2HB ALA 85 4.232 -5.731 4.452 681 H PHE 86 H PHE 86 6.223 -3.282 6.718 682 HA PHE 86 HA PHE 86 9.049 -3.787 6.794 683 HD1 PHE 86 HD2 PHE 86 10.859 -2.357 7.387 684 HD2 PHE 86 HD1 PHE 86 7.784 -0.228 5.274 685 HE1 PHE 86 HE2 PHE 86 12.561 -1.438 5.836 686 HE2 PHE 86 HE1 PHE 86 9.487 0.691 3.725 687 HZ PHE 86 HZ PHE 86 11.875 0.088 4.007 688 HB2 PHE 86 2HB PHE 86 7.188 -1.605 7.046 689 HB3 PHE 86 1HB PHE 86 8.344 -1.502 8.369 690 H GLN 87 H GLN 87 6.573 -3.512 9.364 691 HA GLN 87 HA GLN 87 8.410 -3.789 11.574 692 HB2 GLN 87 2HB GLN 87 5.445 -4.013 11.108 693 HB3 GLN 87 1HB GLN 87 6.115 -4.459 12.677 694 HG2 GLN 87 2HG GLN 87 6.741 -2.299 13.185 695 HG3 GLN 87 1HG GLN 87 7.022 -1.872 11.498 696 HE21 GLN 87 1HE2 GLN 87 4.160 -2.982 13.431 697 HE22 GLN 87 2HE2 GLN 87 3.109 -1.808 12.801 698 H LYS 88 H LYS 88 6.581 -6.139 9.619 699 HA LYS 88 HA LYS 88 7.177 -8.419 11.328 700 HB2 LYS 88 2HB LYS 88 5.758 -7.782 8.850 701 HB3 LYS 88 1HB LYS 88 6.595 -9.331 8.751 702 HG2 LYS 88 2HG LYS 88 4.473 -9.865 9.664 703 HG3 LYS 88 1HG LYS 88 5.560 -9.842 11.053 704 HD2 LYS 88 2HD LYS 88 4.610 -7.178 10.645 705 HD3 LYS 88 1HD LYS 88 3.217 -8.259 10.620 706 HE2 LYS 88 2HE LYS 88 3.556 -8.969 12.817 707 HE3 LYS 88 1HE LYS 88 5.296 -8.626 12.765 708 HZ1 LYS 88 3HZ LYS 88 3.177 -6.545 12.605 709 HZ2 LYS 88 1HZ LYS 88 4.851 -6.287 12.708 710 HZ3 LYS 88 2HZ LYS 88 4.013 -6.947 14.032 711 H GLY 89 H GLY 89 8.421 -7.373 8.127 712 HA2 GLY 89 2HA GLY 89 10.974 -7.421 8.001 713 HA3 GLY 89 1HA GLY 89 10.819 -9.065 8.611 714 H LEU 90 H LEU 90 9.086 -7.235 6.056 715 HA LEU 90 HA LEU 90 9.638 -9.535 4.220 716 HG LEU 90 HG LEU 90 7.300 -10.311 5.243 717 HB2 LEU 90 2HB LEU 90 7.272 -7.902 4.879 718 HB3 LEU 90 1HB LEU 90 7.521 -8.127 3.148 719 HD11 LEU 90 1HD1 LEU 90 5.586 -9.856 2.797 720 HD12 LEU 90 2HD1 LEU 90 5.209 -9.105 4.348 721 HD13 LEU 90 3HD1 LEU 90 5.237 -10.863 4.202 722 HD21 LEU 90 3HD2 LEU 90 8.842 -11.216 3.722 723 HD22 LEU 90 1HD2 LEU 90 8.157 -10.337 2.355 724 HD23 LEU 90 2HD2 LEU 90 7.305 -11.728 3.027 725 H ILE 91 H ILE 91 9.155 -5.972 4.249 726 HA ILE 91 HA ILE 91 10.722 -5.812 1.715 727 HB ILE 91 HB ILE 91 8.968 -3.792 3.157 728 HG12 ILE 91 2HG1 ILE 91 8.401 -5.398 0.641 729 HG13 ILE 91 1HG1 ILE 91 7.784 -5.827 2.237 730 HG21 ILE 91 1HG2 ILE 91 10.479 -2.555 1.815 731 HG22 ILE 91 2HG2 ILE 91 9.046 -2.730 0.803 732 HG23 ILE 91 3HG2 ILE 91 10.452 -3.760 0.526 733 HD11 ILE 91 3HD1 ILE 91 6.945 -3.313 2.232 734 HD12 ILE 91 1HD1 ILE 91 6.007 -4.570 1.426 735 HD13 ILE 91 2HD1 ILE 91 7.054 -3.510 0.483 736 H SER 92 H SER 92 12.871 -5.932 2.563 737 HA SER 92 HA SER 92 13.736 -4.267 4.808 738 HG SER 92 HG SER 92 14.300 -7.228 4.457 739 HB2 SER 92 2HB SER 92 15.006 -6.104 2.786 740 HB3 SER 92 1HB SER 92 16.019 -5.112 3.829 741 H GLN 93 H GLN 93 15.861 -2.866 4.276 742 HA GLN 93 HA GLN 93 15.028 -0.651 2.650 743 HB2 GLN 93 2HB GLN 93 16.964 -1.230 4.580 744 HB3 GLN 93 1HB GLN 93 17.902 -0.838 3.139 745 HG2 GLN 93 2HG GLN 93 17.583 1.293 3.978 746 HG3 GLN 93 1HG GLN 93 16.144 1.158 2.968 747 HE21 GLN 93 1HE2 GLN 93 14.097 0.386 4.148 748 HE22 GLN 93 2HE2 GLN 93 13.916 0.813 5.780 749 H GLN 94 H GLN 94 17.772 -2.924 2.105 750 HA GLN 94 HA GLN 94 18.295 -2.048 -0.579 751 HB2 GLN 94 2HB GLN 94 19.661 -4.084 -0.680 752 HB3 GLN 94 1HB GLN 94 19.845 -3.333 0.904 753 HG2 GLN 94 2HG GLN 94 17.873 -4.921 1.595 754 HG3 GLN 94 1HG GLN 94 18.344 -5.834 0.161 755 HE21 GLN 94 1HE2 GLN 94 20.615 -6.673 0.103 756 HE22 GLN 94 2HE2 GLN 94 21.453 -6.923 1.559 757 H GLU 95 H GLU 95 16.123 -4.543 0.720 758 HA GLU 95 HA GLU 95 15.427 -5.663 -1.852 759 HB2 GLU 95 2HB GLU 95 14.867 -6.080 0.920 760 HB3 GLU 95 1HB GLU 95 13.324 -5.938 0.078 761 HG2 GLU 95 2HG GLU 95 15.592 -7.758 -0.783 762 HG3 GLU 95 1HG GLU 95 14.168 -8.284 0.117 763 H ALA 96 H ALA 96 14.206 -2.969 0.105 764 HA ALA 96 HA ALA 96 11.750 -2.487 -1.272 765 HB1 ALA 96 3HB ALA 96 13.727 -0.637 0.108 766 HB2 ALA 96 1HB ALA 96 12.345 -1.436 0.856 767 HB3 ALA 96 2HB ALA 96 12.088 -0.171 -0.345 768 H ASN 97 H ASN 97 15.092 -1.392 -1.924 769 HA ASN 97 HA ASN 97 14.469 0.309 -4.160 770 HB2 ASN 97 2HB ASN 97 16.618 0.403 -3.036 771 HB3 ASN 97 1HB ASN 97 16.912 -1.307 -3.349 772 HD21 ASN 97 1HD2 ASN 97 18.210 -1.708 -5.151 773 HD22 ASN 97 2HD2 ASN 97 18.409 -0.647 -6.461 774 H GLN 98 H GLN 98 15.424 -3.131 -3.936 775 HA GLN 98 HA GLN 98 15.232 -3.689 -6.768 776 HB2 GLN 98 2HB GLN 98 15.634 -5.081 -4.223 777 HB3 GLN 98 1HB GLN 98 14.664 -6.037 -5.343 778 HG2 GLN 98 2HG GLN 98 16.363 -6.142 -6.940 779 HG3 GLN 98 1HG GLN 98 17.164 -4.694 -6.330 780 HE21 GLN 98 1HE2 GLN 98 19.204 -5.986 -6.186 781 HE22 GLN 98 2HE2 GLN 98 19.428 -7.055 -4.887 782 H TRP 99 H TRP 99 12.961 -3.825 -4.064 783 HA TRP 99 HA TRP 99 10.739 -5.059 -5.395 784 HD1 TRP 99 HD1 TRP 99 9.412 -6.567 -2.985 785 HE1 TRP 99 HE1 TRP 99 6.839 -6.508 -2.823 786 HE3 TRP 99 HE3 TRP 99 8.588 -1.603 -3.845 787 HZ2 TRP 99 HZ2 TRP 99 4.727 -4.600 -3.043 788 HZ3 TRP 99 HZ3 TRP 99 6.293 -0.707 -3.851 789 HH2 TRP 99 HH2 TRP 99 4.358 -2.192 -3.466 790 HB2 TRP 99 2HB TRP 99 11.230 -4.667 -2.911 791 HB3 TRP 99 1HB TRP 99 10.712 -3.005 -3.165 792 H LEU 100 H LEU 100 11.760 -1.664 -5.006 793 HA LEU 100 HA LEU 100 9.435 -0.464 -6.211 794 HG LEU 100 HG LEU 100 10.281 0.212 -3.973 795 HB2 LEU 100 2HB LEU 100 12.293 0.373 -5.700 796 HB3 LEU 100 1HB LEU 100 11.184 1.440 -6.556 797 HD11 LEU 100 1HD1 LEU 100 11.685 2.845 -3.869 798 HD12 LEU 100 2HD1 LEU 100 12.685 1.393 -3.918 799 HD13 LEU 100 3HD1 LEU 100 11.513 1.612 -2.619 800 HD21 LEU 100 3HD2 LEU 100 8.839 2.071 -3.909 801 HD22 LEU 100 1HD2 LEU 100 8.925 1.707 -5.631 802 HD23 LEU 100 2HD2 LEU 100 9.877 3.032 -4.962 803 H SER 101 H SER 101 12.555 -1.581 -7.532 804 HA SER 101 HA SER 101 12.020 -0.641 -10.232 805 HG SER 101 HG SER 101 15.391 -0.872 -9.290 806 HB2 SER 101 2HB SER 101 13.989 -2.608 -9.027 807 HB3 SER 101 1HB SER 101 14.014 -2.127 -10.720 808 H SER 102 HN SER 102 11.858 -3.845 -8.631 809 HA SER 102 HA SER 102 10.212 -4.814 -10.942 810 HG SER 102 HG SER 102 11.525 -6.790 -11.906 811 HB2 SER 102 2HB SER 102 12.516 -5.915 -9.437 812 HB3 SER 102 1HB SER 102 11.229 -7.067 -9.776 Start of MODEL 9 1 HA GLU 1 HA GLU 1 -0.325 12.759 7.874 2 H1 GLU 1 1H GLU 1 -2.354 12.417 5.720 3 H2 GLU 1 2H GLU 1 -2.195 13.806 6.686 4 H3 GLU 1 3H GLU 1 -2.643 12.326 7.390 5 HB2 GLU 1 2HB GLU 1 -1.305 10.468 7.355 6 HB3 GLU 1 1HB GLU 1 -0.646 10.640 5.728 7 HG2 GLU 1 2HG GLU 1 1.214 11.144 8.008 8 HG3 GLU 1 1HG GLU 1 0.743 9.470 7.706 9 H ALA 2 H ALA 2 1.356 14.034 7.214 10 HA ALA 2 HA ALA 2 2.216 14.026 4.375 11 HB1 ALA 2 3HB ALA 2 2.026 16.523 4.306 12 HB2 ALA 2 1HB ALA 2 1.243 16.476 5.886 13 HB3 ALA 2 2HB ALA 2 0.460 15.732 4.492 14 H TYR 3 H TYR 3 3.570 13.016 6.657 15 HA TYR 3 HA TYR 3 6.044 14.589 6.563 16 HD1 TYR 3 HD1 TYR 3 7.631 14.492 9.475 17 HD2 TYR 3 HD2 TYR 3 5.024 17.510 7.879 18 HE1 TYR 3 HE1 TYR 3 9.422 16.182 9.746 19 HE2 TYR 3 HE2 TYR 3 6.817 19.201 8.150 20 HH TYR 3 HH TYR 3 9.170 19.102 10.002 21 HB2 TYR 3 2HB TYR 3 4.164 15.357 8.412 22 HB3 TYR 3 1HB TYR 3 5.114 14.202 9.347 23 H VAL 4 H VAL 4 7.672 13.085 6.611 24 HA VAL 4 HA VAL 4 7.156 10.477 8.012 25 HB VAL 4 HB VAL 4 8.608 9.503 6.228 26 HG11 VAL 4 1HG1 VAL 4 6.010 9.957 6.070 27 HG12 VAL 4 2HG1 VAL 4 6.896 9.366 4.664 28 HG13 VAL 4 3HG1 VAL 4 6.495 11.078 4.798 29 HG21 VAL 4 3HG2 VAL 4 9.313 10.831 4.340 30 HG22 VAL 4 1HG2 VAL 4 9.847 11.674 5.794 31 HG23 VAL 4 2HG2 VAL 4 8.420 12.235 4.923 32 H GLN 5 H GLN 5 9.139 9.427 8.867 33 HA GLN 5 HA GLN 5 11.098 11.456 9.854 34 HB2 GLN 5 2HB GLN 5 9.664 9.876 11.319 35 HB3 GLN 5 1HB GLN 5 10.751 8.597 10.775 36 HG2 GLN 5 2HG GLN 5 11.988 11.114 11.807 37 HG3 GLN 5 1HG GLN 5 11.259 10.021 12.983 38 HE21 GLN 5 1HE2 GLN 5 14.217 10.687 11.864 39 HE22 GLN 5 2HE2 GLN 5 14.902 9.136 11.803 40 H GLY 6 H GLY 6 10.992 8.167 8.437 41 HA2 GLY 6 2HA GLY 6 13.352 8.647 6.833 42 HA3 GLY 6 1HA GLY 6 13.708 7.602 8.209 43 H TRP 7 H TRP 7 12.034 5.744 8.473 44 HA TRP 7 HA TRP 7 12.019 4.163 6.055 45 HD1 TRP 7 HD1 TRP 7 13.852 3.649 6.759 46 HE1 TRP 7 HE1 TRP 7 15.284 1.526 7.045 47 HE3 TRP 7 HE3 TRP 7 10.575 0.720 9.358 48 HZ2 TRP 7 HZ2 TRP 7 15.069 -1.070 8.227 49 HZ3 TRP 7 HZ3 TRP 7 11.214 -1.569 10.054 50 HH2 TRP 7 HH2 TRP 7 13.456 -2.469 9.491 51 HB2 TRP 7 2HB TRP 7 11.239 3.945 8.898 52 HB3 TRP 7 1HB TRP 7 10.306 2.923 7.807 53 H GLU 8 H GLU 8 9.649 6.281 7.591 54 HA GLU 8 HA GLU 8 7.279 5.345 6.317 55 HB2 GLU 8 2HB GLU 8 8.244 7.682 7.782 56 HB3 GLU 8 1HB GLU 8 7.075 8.127 6.540 57 HG2 GLU 8 2HG GLU 8 6.615 5.916 8.560 58 HG3 GLU 8 1HG GLU 8 6.040 7.570 8.770 59 H ALA 9 H ALA 9 9.864 7.504 5.192 60 HA ALA 9 HA ALA 9 8.573 8.378 2.765 61 HB1 ALA 9 3HB ALA 9 11.536 8.016 3.298 62 HB2 ALA 9 1HB ALA 9 10.603 9.351 3.972 63 HB3 ALA 9 2HB ALA 9 10.779 9.193 2.225 64 H VAL 10 H VAL 10 10.737 5.660 3.552 65 HA VAL 10 HA VAL 10 11.024 4.619 0.894 66 HB VAL 10 HB VAL 10 11.011 3.164 3.566 67 HG11 VAL 10 1HG1 VAL 10 12.479 1.565 2.465 68 HG12 VAL 10 2HG1 VAL 10 12.484 2.533 0.990 69 HG13 VAL 10 3HG1 VAL 10 11.004 1.730 1.512 70 HG21 VAL 10 3HG2 VAL 10 13.621 3.573 3.071 71 HG22 VAL 10 1HG2 VAL 10 12.652 4.734 3.977 72 HG23 VAL 10 2HG2 VAL 10 12.974 5.001 2.264 73 H ALA 11 H ALA 11 8.634 4.057 3.467 74 HA ALA 11 HA ALA 11 7.146 1.981 2.167 75 HB1 ALA 11 3HB ALA 11 6.107 4.133 4.033 76 HB2 ALA 11 1HB ALA 11 7.093 2.783 4.594 77 HB3 ALA 11 2HB ALA 11 5.514 2.481 3.869 78 H ALA 12 H ALA 12 6.862 5.540 2.128 79 HA ALA 12 HA ALA 12 4.493 5.764 0.562 80 HB1 ALA 12 3HB ALA 12 5.204 8.044 0.297 81 HB2 ALA 12 1HB ALA 12 6.900 7.603 0.493 82 HB3 ALA 12 2HB ALA 12 5.806 7.531 1.874 83 H ALA 13 H ALA 13 7.930 5.515 -0.390 84 HA ALA 13 HA ALA 13 7.560 5.820 -3.213 85 HB1 ALA 13 3HB ALA 13 9.806 4.923 -3.320 86 HB2 ALA 13 1HB ALA 13 9.609 4.112 -1.765 87 HB3 ALA 13 2HB ALA 13 9.703 5.872 -1.837 88 H VAL 14 H VAL 14 7.553 2.940 -1.103 89 HA VAL 14 HA VAL 14 7.150 1.000 -3.194 90 HB VAL 14 HB VAL 14 6.419 0.996 -0.240 91 HG11 VAL 14 1HG1 VAL 14 5.245 -0.804 -1.333 92 HG12 VAL 14 2HG1 VAL 14 6.647 -1.510 -0.529 93 HG13 VAL 14 3HG1 VAL 14 6.675 -1.239 -2.271 94 HG21 VAL 14 3HG2 VAL 14 8.763 -0.525 -1.189 95 HG22 VAL 14 1HG2 VAL 14 8.598 0.521 0.220 96 HG23 VAL 14 2HG2 VAL 14 8.925 1.221 -1.364 97 H ALA 15 H ALA 15 4.920 2.849 -1.111 98 HA ALA 15 HA ALA 15 2.477 1.645 -2.022 99 HB1 ALA 15 3HB ALA 15 3.123 4.399 -0.916 100 HB2 ALA 15 1HB ALA 15 2.690 2.975 0.030 101 HB3 ALA 15 2HB ALA 15 1.498 3.722 -1.034 102 H SER 16 H SER 16 4.391 4.431 -3.158 103 HA SER 16 HA SER 16 2.553 5.383 -5.142 104 HG SER 16 HG SER 16 4.145 7.835 -5.112 105 HB2 SER 16 2HB SER 16 4.913 6.203 -4.084 106 HB3 SER 16 1HB SER 16 5.490 5.548 -5.613 107 H LYS 17 H LYS 17 5.143 2.937 -5.220 108 HA LYS 17 HA LYS 17 5.023 2.404 -8.045 109 HB2 LYS 17 2HB LYS 17 6.710 1.792 -6.056 110 HB3 LYS 17 1HB LYS 17 5.769 0.304 -6.040 111 HG2 LYS 17 2HG LYS 17 7.717 0.085 -7.532 112 HG3 LYS 17 1HG LYS 17 6.215 -0.011 -8.450 113 HD2 LYS 17 2HD LYS 17 7.971 1.459 -9.509 114 HD3 LYS 17 1HD LYS 17 6.445 2.283 -9.193 115 HE2 LYS 17 2HE LYS 17 7.349 3.350 -7.210 116 HE3 LYS 17 1HE LYS 17 8.831 2.381 -7.313 117 HZ1 LYS 17 3HZ LYS 17 9.045 4.625 -8.322 118 HZ2 LYS 17 1HZ LYS 17 7.876 4.189 -9.470 119 HZ3 LYS 17 2HZ LYS 17 9.360 3.360 -9.411 120 H ILE 18 H ILE 18 3.211 1.191 -5.247 121 HA ILE 18 HA ILE 18 1.943 -1.060 -6.462 122 HB ILE 18 HB ILE 18 1.328 0.850 -4.209 123 HG12 ILE 18 2HG1 ILE 18 3.051 -0.980 -3.998 124 HG13 ILE 18 1HG1 ILE 18 1.741 -1.094 -2.827 125 HG21 ILE 18 1HG2 ILE 18 -0.574 -0.764 -3.626 126 HG22 ILE 18 2HG2 ILE 18 -0.468 -1.327 -5.293 127 HG23 ILE 18 3HG2 ILE 18 -0.881 0.354 -4.955 128 HD11 ILE 18 3HD1 ILE 18 2.263 -3.297 -3.856 129 HD12 ILE 18 1HD1 ILE 18 1.862 -2.635 -5.439 130 HD13 ILE 18 2HD1 ILE 18 0.615 -2.781 -4.201 131 H VAL 19 H VAL 19 0.852 2.342 -6.143 132 HA VAL 19 HA VAL 19 -1.586 2.079 -7.606 133 HB VAL 19 HB VAL 19 0.325 4.331 -6.965 134 HG11 VAL 19 1HG1 VAL 19 -2.239 4.456 -8.572 135 HG12 VAL 19 2HG1 VAL 19 -0.649 5.064 -9.030 136 HG13 VAL 19 3HG1 VAL 19 -1.562 5.859 -7.747 137 HG21 VAL 19 3HG2 VAL 19 -1.483 5.011 -5.461 138 HG22 VAL 19 1HG2 VAL 19 -1.094 3.315 -5.172 139 HG23 VAL 19 2HG2 VAL 19 -2.529 3.744 -6.104 140 H GLY 20 H GLY 20 1.734 2.830 -8.666 141 HA2 GLY 20 2HA GLY 20 1.096 3.402 -11.407 142 HA3 GLY 20 1HA GLY 20 2.683 2.922 -10.811 143 H LEU 21 H LEU 21 1.739 0.378 -9.674 144 HA LEU 21 HA LEU 21 1.373 -1.141 -12.228 145 HG LEU 21 HG LEU 21 2.062 -3.418 -12.060 146 HB2 LEU 21 2HB LEU 21 3.456 -1.216 -10.581 147 HB3 LEU 21 1HB LEU 21 2.418 -2.311 -9.670 148 HD11 LEU 21 1HD1 LEU 21 4.886 -2.362 -12.307 149 HD12 LEU 21 2HD1 LEU 21 3.514 -1.578 -13.093 150 HD13 LEU 21 3HD1 LEU 21 3.945 -3.235 -13.516 151 HD21 LEU 21 3HD2 LEU 21 2.941 -4.727 -10.289 152 HD22 LEU 21 1HD2 LEU 21 4.390 -3.730 -10.159 153 HD23 LEU 21 2HD2 LEU 21 4.182 -4.808 -11.539 154 H TRP 22 H TRP 22 -0.894 -0.067 -10.684 155 HA TRP 22 HA TRP 22 -2.020 -2.490 -9.380 156 HD1 TRP 22 HD1 TRP 22 -3.710 -3.022 -7.928 157 HE1 TRP 22 HE1 TRP 22 -6.175 -2.968 -7.172 158 HE3 TRP 22 HE3 TRP 22 -4.829 1.863 -8.909 159 HZ2 TRP 22 HZ2 TRP 22 -8.332 -1.103 -7.005 160 HZ3 TRP 22 HZ3 TRP 22 -7.094 2.752 -8.440 161 HH2 TRP 22 HH2 TRP 22 -8.845 1.277 -7.489 162 HB2 TRP 22 2HB TRP 22 -2.039 -0.413 -8.109 163 HB3 TRP 22 1HB TRP 22 -2.836 0.430 -9.434 164 H ARG 23 H ARG 23 -3.733 -3.565 -10.244 165 HA ARG 23 HA ARG 23 -4.786 -2.722 -12.900 166 HE ARG 23 HE ARG 23 -7.068 -6.730 -12.892 167 HB2 ARG 23 2HB ARG 23 -3.755 -5.058 -12.004 168 HB3 ARG 23 1HB ARG 23 -5.443 -5.326 -11.581 169 HG2 ARG 23 2HG ARG 23 -6.032 -4.682 -13.967 170 HG3 ARG 23 1HG ARG 23 -4.305 -4.713 -14.321 171 HD2 ARG 23 2HD ARG 23 -4.784 -6.914 -14.840 172 HD3 ARG 23 1HD ARG 23 -4.552 -7.121 -13.093 173 HH11 ARG 23 2HH1 ARG 23 -7.509 -6.057 -15.792 174 HH12 ARG 23 1HH1 ARG 23 -8.098 -7.558 -16.425 175 HH21 ARG 23 1HH2 ARG 23 -6.997 -9.431 -13.711 176 HH22 ARG 23 2HH2 ARG 23 -7.805 -9.479 -15.242 177 H ASN 24 H ASN 24 -7.292 -3.950 -12.819 178 HA ASN 24 HA ASN 24 -9.008 -2.101 -11.582 179 HB2 ASN 24 2HB ASN 24 -9.151 -4.828 -12.715 180 HB3 ASN 24 1HB ASN 24 -10.456 -4.437 -11.597 181 HD21 ASN 24 1HD2 ASN 24 -8.786 -3.127 -14.510 182 HD22 ASN 24 2HD2 ASN 24 -10.149 -2.307 -15.101 183 H GLU 25 H GLU 25 -7.723 -5.157 -10.254 184 HA GLU 25 HA GLU 25 -8.124 -4.179 -7.509 185 HB2 GLU 25 2HB GLU 25 -9.626 -6.046 -6.905 186 HB3 GLU 25 1HB GLU 25 -10.339 -5.074 -8.190 187 HG2 GLU 25 2HG GLU 25 -8.853 -6.947 -9.594 188 HG3 GLU 25 1HG GLU 25 -9.478 -7.880 -8.235 189 H LYS 26 H LYS 26 -5.827 -5.063 -9.161 190 HA LYS 26 HA LYS 26 -4.722 -7.083 -7.292 191 HB2 LYS 26 2HB LYS 26 -5.948 -8.244 -9.158 192 HB3 LYS 26 1HB LYS 26 -4.826 -7.496 -10.292 193 HG2 LYS 26 2HG LYS 26 -3.481 -9.280 -9.955 194 HG3 LYS 26 1HG LYS 26 -3.155 -8.609 -8.358 195 HD2 LYS 26 2HD LYS 26 -4.834 -9.949 -7.334 196 HD3 LYS 26 1HD LYS 26 -5.548 -10.377 -8.890 197 HE2 LYS 26 2HE LYS 26 -3.727 -11.808 -9.458 198 HE3 LYS 26 1HE LYS 26 -2.702 -11.138 -8.172 199 HZ1 LYS 26 3HZ LYS 26 -4.220 -11.992 -6.523 200 HZ2 LYS 26 1HZ LYS 26 -3.724 -13.264 -7.528 201 HZ3 LYS 26 2HZ LYS 26 -5.267 -12.582 -7.726 202 H THR 27 H THR 27 -2.476 -6.851 -7.082 203 HA THR 27 HA THR 27 -0.971 -5.320 -9.138 204 HB THR 27 HB THR 27 -1.954 -3.777 -7.358 205 HG1 THR 27 HG1 THR 27 -0.010 -3.345 -8.591 206 HG21 THR 27 3HG2 THR 27 -1.317 -3.914 -5.140 207 HG22 THR 27 1HG2 THR 27 0.196 -4.739 -5.516 208 HG23 THR 27 2HG2 THR 27 -1.327 -5.628 -5.558 209 H GLU 28 H GLU 28 1.375 -5.627 -8.895 210 HA GLU 28 HA GLU 28 1.990 -8.223 -7.573 211 HB2 GLU 28 2HB GLU 28 2.935 -6.669 -9.925 212 HB3 GLU 28 1HB GLU 28 4.144 -7.656 -9.104 213 HG2 GLU 28 2HG GLU 28 2.410 -9.560 -9.215 214 HG3 GLU 28 1HG GLU 28 1.561 -8.551 -10.387 215 H LEU 29 H LEU 29 3.098 -8.187 -5.670 216 HA LEU 29 HA LEU 29 4.719 -5.762 -4.992 217 HG LEU 29 HG LEU 29 2.530 -5.249 -4.052 218 HB2 LEU 29 2HB LEU 29 3.042 -7.722 -3.502 219 HB3 LEU 29 1HB LEU 29 4.463 -7.107 -2.663 220 HD11 LEU 29 1HD1 LEU 29 1.758 -4.922 -1.546 221 HD12 LEU 29 2HD1 LEU 29 2.314 -6.587 -1.374 222 HD13 LEU 29 3HD1 LEU 29 1.043 -6.196 -2.532 223 HD21 LEU 29 3HD2 LEU 29 4.640 -4.985 -1.892 224 HD22 LEU 29 1HD2 LEU 29 3.477 -3.708 -2.250 225 HD23 LEU 29 2HD2 LEU 29 4.625 -4.224 -3.484 226 H LEU 30 H LEU 30 6.872 -6.105 -5.349 227 HA LEU 30 HA LEU 30 8.980 -7.145 -5.432 228 HG LEU 30 HG LEU 30 10.497 -8.354 -4.185 229 HB2 LEU 30 2HB LEU 30 7.788 -7.717 -3.026 230 HB3 LEU 30 1HB LEU 30 8.145 -9.335 -3.632 231 HD11 LEU 30 1HD1 LEU 30 11.189 -6.452 -2.952 232 HD12 LEU 30 2HD1 LEU 30 9.755 -6.492 -1.926 233 HD13 LEU 30 3HD1 LEU 30 9.620 -5.997 -3.612 234 HD21 LEU 30 3HD2 LEU 30 9.789 -8.647 -1.257 235 HD22 LEU 30 1HD2 LEU 30 11.301 -9.081 -2.053 236 HD23 LEU 30 2HD2 LEU 30 9.843 -10.022 -2.359 237 H GLY 31 H GLY 31 6.811 -8.046 -7.305 238 HA2 GLY 31 2HA GLY 31 6.962 -9.587 -9.121 239 HA3 GLY 31 1HA GLY 31 8.127 -10.531 -8.197 240 H HIS 32 H HIS 32 5.814 -10.085 -5.957 241 HA HIS 32 HA HIS 32 4.572 -12.711 -6.516 242 HD1 HIS 32 HD1 HIS 32 6.210 -13.913 -5.404 243 HD2 HIS 32 HD2 HIS 32 6.678 -10.769 -2.707 244 HE1 HIS 32 HE1 HIS 32 8.542 -14.139 -4.441 245 HB2 HIS 32 2HB HIS 32 4.343 -10.816 -4.154 246 HB3 HIS 32 1HB HIS 32 3.859 -12.508 -4.183 247 H GLU 33 H GLU 33 2.181 -12.926 -6.197 248 HA GLU 33 HA GLU 33 0.751 -10.702 -7.535 249 HB2 GLU 33 2HB GLU 33 0.554 -13.608 -7.279 250 HB3 GLU 33 1HB GLU 33 -1.007 -12.821 -7.053 251 HG2 GLU 33 2HG GLU 33 -0.880 -13.150 -9.389 252 HG3 GLU 33 1HG GLU 33 -0.407 -11.464 -9.177 253 H CYS 34 H CYS 34 -0.508 -9.300 -6.401 254 HA CYS 34 HA CYS 34 -1.456 -10.093 -3.669 255 HB2 CYS 34 2HB CYS 34 -0.222 -7.535 -4.709 256 HB3 CYS 34 1HB CYS 34 -1.106 -7.598 -3.186 257 H LYS 35 H LYS 35 -3.327 -8.607 -2.986 258 HA LYS 35 HA LYS 35 -5.066 -7.975 -5.345 259 HB2 LYS 35 2HB LYS 35 -5.560 -10.056 -3.966 260 HB3 LYS 35 1HB LYS 35 -5.950 -8.975 -2.629 261 HG2 LYS 35 2HG LYS 35 -7.924 -8.335 -3.562 262 HG3 LYS 35 1HG LYS 35 -7.242 -8.261 -5.184 263 HD2 LYS 35 2HD LYS 35 -7.435 -10.990 -4.083 264 HD3 LYS 35 1HD LYS 35 -8.990 -10.194 -4.324 265 HE2 LYS 35 2HE LYS 35 -7.540 -9.566 -6.642 266 HE3 LYS 35 1HE LYS 35 -7.163 -11.269 -6.326 267 HZ1 LYS 35 3HZ LYS 35 -9.642 -11.507 -5.857 268 HZ2 LYS 35 1HZ LYS 35 -9.185 -11.325 -7.481 269 HZ3 LYS 35 2HZ LYS 35 -9.823 -10.003 -6.629 270 H PHE 36 H PHE 36 -4.802 -5.740 -5.358 271 HA PHE 36 HA PHE 36 -5.398 -4.246 -2.831 272 HD1 PHE 36 HD2 PHE 36 -5.379 -2.233 -2.264 273 HD2 PHE 36 HD1 PHE 36 -3.017 -1.394 -5.753 274 HE1 PHE 36 HE2 PHE 36 -5.638 0.196 -1.856 275 HE2 PHE 36 HE1 PHE 36 -3.277 1.035 -5.342 276 HZ PHE 36 HZ PHE 36 -4.587 1.827 -3.396 277 HB2 PHE 36 2HB PHE 36 -3.183 -3.833 -3.724 278 HB3 PHE 36 1HB PHE 36 -3.819 -3.613 -5.348 279 H THR 37 H THR 37 -7.245 -2.933 -2.856 280 HA THR 37 HA THR 37 -8.445 -2.172 -5.466 281 HB THR 37 HB THR 37 -10.343 -3.328 -3.500 282 HG1 THR 37 HG1 THR 37 -8.731 -5.041 -5.081 283 HG21 THR 37 3HG2 THR 37 -9.941 -3.308 -6.482 284 HG22 THR 37 1HG2 THR 37 -11.290 -2.668 -5.542 285 HG23 THR 37 2HG2 THR 37 -11.097 -4.410 -5.733 286 H VAL 38 H VAL 38 -10.435 -0.753 -5.052 287 HA VAL 38 HA VAL 38 -10.128 0.868 -2.548 288 HB VAL 38 HB VAL 38 -10.601 1.850 -5.387 289 HG11 VAL 38 1HG1 VAL 38 -10.073 3.328 -2.788 290 HG12 VAL 38 2HG1 VAL 38 -11.598 3.307 -3.675 291 HG13 VAL 38 3HG1 VAL 38 -10.177 4.081 -4.379 292 HG21 VAL 38 3HG2 VAL 38 -8.326 1.055 -5.210 293 HG22 VAL 38 1HG2 VAL 38 -8.125 1.818 -3.633 294 HG23 VAL 38 2HG2 VAL 38 -8.274 2.813 -5.081 295 H LYS 39 H LYS 39 -12.100 1.321 -1.543 296 HA LYS 39 HA LYS 39 -14.612 0.833 -3.100 297 HB2 LYS 39 2HB LYS 39 -13.469 -0.544 -0.788 298 HB3 LYS 39 1HB LYS 39 -15.104 0.037 -0.470 299 HG2 LYS 39 2HG LYS 39 -15.968 -1.121 -2.406 300 HG3 LYS 39 1HG LYS 39 -14.340 -1.548 -2.936 301 HD2 LYS 39 2HD LYS 39 -14.582 -3.470 -1.778 302 HD3 LYS 39 1HD LYS 39 -14.474 -2.497 -0.310 303 HE2 LYS 39 2HE LYS 39 -16.553 -3.384 0.114 304 HE3 LYS 39 1HE LYS 39 -17.107 -2.118 -0.997 305 HZ1 LYS 39 3HZ LYS 39 -16.789 -3.649 -2.847 306 HZ2 LYS 39 1HZ LYS 39 -17.877 -4.300 -1.721 307 HZ3 LYS 39 2HZ LYS 39 -16.277 -4.868 -1.779 308 HA PRO 40 HA PRO 40 -14.934 4.870 -0.926 309 HB2 PRO 40 2HB PRO 40 -16.010 6.235 -3.033 310 HB3 PRO 40 1HB PRO 40 -14.263 6.014 -2.822 311 HG2 PRO 40 2HG PRO 40 -16.132 4.644 -4.664 312 HG3 PRO 40 1HG PRO 40 -14.423 5.043 -4.877 313 HD2 PRO 40 2HD PRO 40 -15.431 2.535 -4.228 314 HD3 PRO 40 1HD PRO 40 -13.747 3.058 -4.024 315 H TYR 41 H TYR 41 -16.941 6.008 -0.298 316 HA TYR 41 HA TYR 41 -19.449 4.491 -0.939 317 HD1 TYR 41 HD1 TYR 41 -19.153 2.362 0.493 318 HD2 TYR 41 HD2 TYR 41 -16.852 5.264 2.666 319 HE1 TYR 41 HE1 TYR 41 -17.570 0.586 1.187 320 HE2 TYR 41 HE2 TYR 41 -15.269 3.490 3.360 321 HH TYR 41 HH TYR 41 -15.310 0.337 1.964 322 HB2 TYR 41 2HB TYR 41 -18.857 5.918 1.655 323 HB3 TYR 41 1HB TYR 41 -20.079 4.695 1.345 324 H LEU 42 H LEU 42 -21.387 5.975 -0.128 325 HA LEU 42 HA LEU 42 -20.924 8.846 -0.741 326 HG LEU 42 HG LEU 42 -22.311 10.000 -2.149 327 HB2 LEU 42 2HB LEU 42 -21.506 7.188 -2.758 328 HB3 LEU 42 1HB LEU 42 -23.146 7.446 -2.163 329 HD11 LEU 42 1HD1 LEU 42 -20.647 10.507 -3.653 330 HD12 LEU 42 2HD1 LEU 42 -20.999 9.115 -4.676 331 HD13 LEU 42 3HD1 LEU 42 -20.087 8.904 -3.182 332 HD21 LEU 42 3HD2 LEU 42 -24.266 8.948 -3.368 333 HD22 LEU 42 1HD2 LEU 42 -23.166 8.609 -4.704 334 HD23 LEU 42 2HD2 LEU 42 -23.496 10.277 -4.234 335 H LYS 43 H LYS 43 -22.513 10.196 0.163 336 HA LYS 43 HA LYS 43 -24.747 8.893 1.672 337 HB2 LYS 43 2HB LYS 43 -22.461 9.725 2.827 338 HB3 LYS 43 1HB LYS 43 -23.319 11.263 2.792 339 HG2 LYS 43 2HG LYS 43 -25.019 10.503 4.199 340 HG3 LYS 43 1HG LYS 43 -24.739 8.811 3.788 341 HD2 LYS 43 2HD LYS 43 -23.510 8.641 5.668 342 HD3 LYS 43 1HD LYS 43 -22.319 9.697 4.908 343 HE2 LYS 43 2HE LYS 43 -23.901 11.635 5.728 344 HE3 LYS 43 1HE LYS 43 -24.495 10.408 6.865 345 HZ1 LYS 43 3HZ LYS 43 -22.137 9.927 7.416 346 HZ2 LYS 43 1HZ LYS 43 -22.622 11.492 7.857 347 HZ3 LYS 43 2HZ LYS 43 -21.673 11.260 6.468 348 H ARG 44 H ARG 44 -26.270 10.784 2.464 349 HA ARG 44 HA ARG 44 -27.627 12.002 0.408 350 HE ARG 44 HE ARG 44 -30.389 13.815 2.872 351 HB2 ARG 44 2HB ARG 44 -27.133 12.730 3.280 352 HB3 ARG 44 1HB ARG 44 -28.135 13.782 2.279 353 HG2 ARG 44 2HG ARG 44 -28.620 10.803 2.453 354 HG3 ARG 44 1HG ARG 44 -29.362 11.939 3.580 355 HD2 ARG 44 2HD ARG 44 -29.589 12.327 0.585 356 HD3 ARG 44 1HD ARG 44 -30.749 11.334 1.488 357 HH11 ARG 44 2HH1 ARG 44 -33.085 12.773 2.399 358 HH12 ARG 44 1HH1 ARG 44 -33.725 13.842 1.197 359 HH21 ARG 44 1HH2 ARG 44 -30.614 15.086 0.272 360 HH22 ARG 44 2HH2 ARG 44 -32.321 15.159 -0.012 361 H PHE 45 H PHE 45 -24.789 13.386 2.071 362 HA PHE 45 HA PHE 45 -24.318 15.140 -0.262 363 HD1 PHE 45 HD1 PHE 45 -26.351 14.867 3.254 364 HD2 PHE 45 HD2 PHE 45 -22.973 17.514 3.059 365 HE1 PHE 45 HE1 PHE 45 -26.104 14.733 5.716 366 HE2 PHE 45 HE2 PHE 45 -22.726 17.379 5.522 367 HZ PHE 45 HZ PHE 45 -24.290 15.988 6.851 368 HB2 PHE 45 2HB PHE 45 -24.321 17.168 1.130 369 HB3 PHE 45 1HB PHE 45 -25.880 16.359 1.241 370 H GLN 46 H GLN 46 -22.890 12.861 1.098 371 HA GLN 46 HA GLN 46 -20.271 14.247 1.459 372 HB2 GLN 46 2HB GLN 46 -21.768 12.512 3.415 373 HB3 GLN 46 1HB GLN 46 -20.007 12.563 3.456 374 HG2 GLN 46 2HG GLN 46 -19.963 14.863 3.980 375 HG3 GLN 46 1HG GLN 46 -21.624 15.108 3.445 376 HE21 GLN 46 1HE2 GLN 46 -20.081 15.337 6.218 377 HE22 GLN 46 2HE2 GLN 46 -21.165 14.589 7.288 378 H VAL 47 H VAL 47 -18.616 13.083 0.490 379 HA VAL 47 HA VAL 47 -19.249 10.300 -0.427 380 HB VAL 47 HB VAL 47 -17.293 12.299 -1.609 381 HG11 VAL 47 1HG1 VAL 47 -18.404 9.621 -2.450 382 HG12 VAL 47 2HG1 VAL 47 -16.718 10.123 -2.338 383 HG13 VAL 47 3HG1 VAL 47 -17.739 10.745 -3.635 384 HG21 VAL 47 3HG2 VAL 47 -19.204 12.334 -3.428 385 HG22 VAL 47 1HG2 VAL 47 -19.342 13.366 -2.004 386 HG23 VAL 47 2HG2 VAL 47 -20.232 11.846 -2.081 387 H TYR 48 H TYR 48 -18.120 8.805 0.742 388 HA TYR 48 HA TYR 48 -15.594 9.607 2.100 389 HD1 TYR 48 HD2 TYR 48 -15.484 9.003 4.895 390 HD2 TYR 48 HD1 TYR 48 -19.352 8.814 3.034 391 HE1 TYR 48 HE2 TYR 48 -16.417 10.438 6.688 392 HE2 TYR 48 HE1 TYR 48 -20.283 10.250 4.826 393 HH TYR 48 HH TYR 48 -18.776 10.802 7.713 394 HB2 TYR 48 2HB TYR 48 -17.576 7.333 2.332 395 HB3 TYR 48 1HB TYR 48 -16.027 7.293 3.172 396 H TYR 49 H TYR 49 -13.676 8.262 1.855 397 HA TYR 49 HA TYR 49 -13.666 6.545 -0.601 398 HD1 TYR 49 HD2 TYR 49 -13.906 10.086 -0.104 399 HD2 TYR 49 HD1 TYR 49 -11.853 7.786 -3.097 400 HE1 TYR 49 HE2 TYR 49 -15.000 11.421 -1.881 401 HE2 TYR 49 HE1 TYR 49 -12.948 9.126 -4.873 402 HH TYR 49 HH TYR 49 -15.598 10.942 -4.437 403 HB2 TYR 49 2HB TYR 49 -11.795 8.700 0.382 404 HB3 TYR 49 1HB TYR 49 -11.288 7.516 -0.813 405 H LYS 50 H LYS 50 -12.882 4.499 -0.184 406 HA LYS 50 HA LYS 50 -11.034 4.131 2.143 407 HB2 LYS 50 2HB LYS 50 -13.511 3.614 2.548 408 HB3 LYS 50 1HB LYS 50 -13.313 2.278 1.418 409 HG2 LYS 50 2HG LYS 50 -12.227 1.016 2.949 410 HG3 LYS 50 1HG LYS 50 -11.199 2.363 3.443 411 HD2 LYS 50 2HD LYS 50 -12.833 3.193 4.959 412 HD3 LYS 50 1HD LYS 50 -14.099 2.176 4.271 413 HE2 LYS 50 2HE LYS 50 -13.482 0.365 5.516 414 HE3 LYS 50 1HE LYS 50 -11.753 0.680 5.273 415 HZ1 LYS 50 3HZ LYS 50 -13.550 2.239 7.061 416 HZ2 LYS 50 1HZ LYS 50 -11.891 2.524 6.824 417 HZ3 LYS 50 2HZ LYS 50 -12.409 1.090 7.578 418 H GLY 51 H GLY 51 -9.689 2.200 1.936 419 HA2 GLY 51 2HA GLY 51 -9.750 0.782 -0.647 420 HA3 GLY 51 1HA GLY 51 -8.294 1.710 -0.309 421 H ARG 52 H ARG 52 -8.680 -1.235 -0.563 422 HA ARG 52 HA ARG 52 -7.405 -2.004 2.022 423 HE ARG 52 HE ARG 52 -10.688 -5.190 3.146 424 HB2 ARG 52 2HB ARG 52 -10.021 -2.785 0.910 425 HB3 ARG 52 1HB ARG 52 -9.022 -4.155 1.388 426 HG2 ARG 52 2HG ARG 52 -9.051 -1.922 3.319 427 HG3 ARG 52 1HG ARG 52 -10.601 -2.736 3.110 428 HD2 ARG 52 2HD ARG 52 -8.199 -4.491 3.381 429 HD3 ARG 52 1HD ARG 52 -8.761 -3.655 4.841 430 HH11 ARG 52 2HH1 ARG 52 -11.740 -3.839 5.550 431 HH12 ARG 52 1HH1 ARG 52 -11.663 -5.081 6.758 432 HH21 ARG 52 1HH2 ARG 52 -9.449 -7.057 4.951 433 HH22 ARG 52 2HH2 ARG 52 -10.358 -6.909 6.418 434 H MET 53 H MET 53 -5.802 -3.620 1.734 435 HA MET 53 HA MET 53 -5.641 -5.017 -0.876 436 HB2 MET 53 2HB MET 53 -3.585 -4.063 -1.494 437 HB3 MET 53 1HB MET 53 -4.473 -2.697 -0.837 438 HG2 MET 53 2HG MET 53 -2.697 -2.359 0.516 439 HG3 MET 53 1HG MET 53 -3.218 -3.794 1.397 440 HE1 MET 53 3HE MET 53 -1.296 -2.177 -1.238 441 HE2 MET 53 1HE MET 53 -1.508 -3.522 -2.369 442 HE3 MET 53 2HE MET 53 0.071 -3.211 -1.651 443 H TRP 54 H TRP 54 -4.355 -6.899 -0.819 444 HA TRP 54 HA TRP 54 -2.788 -7.634 1.541 445 HD1 TRP 54 HD1 TRP 54 -5.049 -11.200 0.436 446 HE1 TRP 54 HE1 TRP 54 -7.146 -11.368 -1.055 447 HE3 TRP 54 HE3 TRP 54 -6.901 -6.467 0.967 448 HZ2 TRP 54 HZ2 TRP 54 -9.313 -9.713 -1.917 449 HZ3 TRP 54 HZ3 TRP 54 -8.977 -5.791 -0.203 450 HH2 TRP 54 HH2 TRP 54 -10.185 -7.407 -1.642 451 HB2 TRP 54 2HB TRP 54 -4.300 -9.441 2.261 452 HB3 TRP 54 1HB TRP 54 -5.135 -7.892 2.318 453 H CYS 55 H CYS 55 -1.589 -9.605 1.180 454 HA CYS 55 HA CYS 55 -1.669 -10.544 -1.660 455 HB2 CYS 55 2HB CYS 55 0.547 -10.546 0.404 456 HB3 CYS 55 1HB CYS 55 0.718 -11.065 -1.269 457 HA PRO 56 HA PRO 56 -3.013 -14.232 0.699 458 HB2 PRO 56 2HB PRO 56 -4.621 -15.223 -1.283 459 HB3 PRO 56 1HB PRO 56 -5.168 -14.001 -0.119 460 HG2 PRO 56 2HG PRO 56 -4.295 -13.672 -2.940 461 HG3 PRO 56 1HG PRO 56 -5.568 -12.828 -2.047 462 HD2 PRO 56 2HD PRO 56 -3.096 -11.771 -2.562 463 HD3 PRO 56 1HD PRO 56 -4.121 -11.277 -1.213 464 H GLY 57 H GLY 57 -0.800 -15.022 0.453 465 HA2 GLY 57 2HA GLY 57 -0.226 -17.366 -0.692 466 HA3 GLY 57 1HA GLY 57 -0.089 -16.322 -2.107 467 H TRP 58 H TRP 58 1.101 -14.059 -1.052 468 HA TRP 58 HA TRP 58 3.867 -14.873 -0.811 469 HD1 TRP 58 HD1 TRP 58 5.808 -14.081 -0.867 470 HE1 TRP 58 HE1 TRP 58 7.767 -12.489 -0.352 471 HE3 TRP 58 HE3 TRP 58 3.240 -9.723 -0.170 472 HZ2 TRP 58 HZ2 TRP 58 8.190 -9.729 0.272 473 HZ3 TRP 58 HZ3 TRP 58 4.443 -7.629 0.383 474 HH2 TRP 58 HH2 TRP 58 6.913 -7.626 0.606 475 HB2 TRP 58 2HB TRP 58 3.012 -12.784 -1.883 476 HB3 TRP 58 1HB TRP 58 2.524 -12.197 -0.301 477 H THR 59 H THR 59 1.607 -13.290 1.478 478 HA THR 59 HA THR 59 2.936 -14.650 3.736 479 HB THR 59 HB THR 59 4.201 -12.522 3.205 480 HG1 THR 59 HG1 THR 59 4.508 -12.901 5.247 481 HG21 THR 59 3HG2 THR 59 3.199 -10.428 3.306 482 HG22 THR 59 1HG2 THR 59 1.883 -10.992 4.335 483 HG23 THR 59 2HG2 THR 59 1.887 -11.381 2.615 484 H ALA 60 H ALA 60 1.750 -13.378 5.829 485 HA ALA 60 HA ALA 60 -1.181 -13.565 5.227 486 HB1 ALA 60 3HB ALA 60 -0.399 -15.456 6.515 487 HB2 ALA 60 1HB ALA 60 -1.280 -14.403 7.622 488 HB3 ALA 60 2HB ALA 60 0.483 -14.403 7.621 489 H ILE 61 H ILE 61 -0.435 -11.083 4.843 490 HA ILE 61 HA ILE 61 -1.166 -9.648 7.357 491 HB ILE 61 HB ILE 61 1.372 -9.760 6.688 492 HG12 ILE 61 2HG1 ILE 61 0.176 -7.018 7.137 493 HG13 ILE 61 1HG1 ILE 61 0.227 -8.250 8.399 494 HG21 ILE 61 1HG2 ILE 61 0.664 -8.984 4.279 495 HG22 ILE 61 2HG2 ILE 61 2.133 -8.330 5.003 496 HG23 ILE 61 3HG2 ILE 61 0.649 -7.376 5.004 497 HD11 ILE 61 3HD1 ILE 61 2.492 -6.781 7.094 498 HD12 ILE 61 1HD1 ILE 61 2.772 -8.408 7.713 499 HD13 ILE 61 2HD1 ILE 61 2.227 -7.133 8.802 500 H ARG 62 H ARG 62 -2.339 -7.683 6.975 501 HA ARG 62 HA ARG 62 -3.089 -7.142 4.136 502 HE ARG 62 HE ARG 62 -5.420 -10.255 8.738 503 HB2 ARG 62 2HB ARG 62 -5.438 -6.678 5.343 504 HB3 ARG 62 1HB ARG 62 -5.000 -8.270 4.743 505 HG2 ARG 62 2HG ARG 62 -4.182 -7.564 7.535 506 HG3 ARG 62 1HG ARG 62 -5.886 -7.906 7.239 507 HD2 ARG 62 2HD ARG 62 -4.678 -9.969 5.870 508 HD3 ARG 62 1HD ARG 62 -3.588 -9.762 7.255 509 HH11 ARG 62 1HH2 ARG 62 -5.979 -12.396 6.741 510 HH12 ARG 62 2HH2 ARG 62 -7.657 -12.152 6.388 511 HH21 ARG 62 2HH1 ARG 62 -7.743 -8.945 7.724 512 HH22 ARG 62 1HH1 ARG 62 -8.658 -10.190 6.943 513 H GLY 63 H GLY 63 -3.852 -4.973 3.755 514 HA2 GLY 63 2HA GLY 63 -3.347 -3.028 5.960 515 HA3 GLY 63 1HA GLY 63 -2.544 -2.797 4.407 516 H GLU 64 H GLU 64 -4.532 -1.041 5.718 517 HA GLU 64 HA GLU 64 -6.325 -0.726 3.403 518 HB2 GLU 64 2HB GLU 64 -8.308 -0.696 5.063 519 HB3 GLU 64 1HB GLU 64 -7.652 -2.261 4.612 520 HG2 GLU 64 2HG GLU 64 -7.798 -2.471 6.932 521 HG3 GLU 64 1HG GLU 64 -6.136 -1.926 6.740 522 H ALA 65 H ALA 65 -7.465 1.344 3.457 523 HA ALA 65 HA ALA 65 -6.599 3.276 5.557 524 HB1 ALA 65 3HB ALA 65 -4.890 3.273 3.775 525 HB2 ALA 65 1HB ALA 65 -5.766 4.803 3.795 526 HB3 ALA 65 2HB ALA 65 -6.142 3.588 2.572 527 H SER 66 H SER 66 -8.019 5.073 5.752 528 HA SER 66 HA SER 66 -10.363 5.178 3.895 529 HG SER 66 HG SER 66 -9.844 3.470 6.819 530 HB2 SER 66 2HB SER 66 -10.687 5.463 6.870 531 HB3 SER 66 1HB SER 66 -11.895 5.025 5.671 532 H THR 67 H THR 67 -11.037 7.258 3.470 533 HA THR 67 HA THR 67 -10.721 9.558 5.145 534 HB THR 67 HB THR 67 -8.332 9.131 4.773 535 HG1 THR 67 HG1 THR 67 -8.698 11.268 4.833 536 HG21 THR 67 3HG2 THR 67 -8.492 7.854 2.694 537 HG22 THR 67 1HG2 THR 67 -7.392 9.215 2.481 538 HG23 THR 67 2HG2 THR 67 -9.028 9.294 1.829 539 H ARG 68 H ARG 68 -10.392 11.562 3.214 540 HA ARG 68 HA ARG 68 -12.817 11.149 1.527 541 HE ARG 68 HE ARG 68 -15.743 13.211 0.096 542 HB2 ARG 68 2HB ARG 68 -11.883 13.192 3.202 543 HB3 ARG 68 1HB ARG 68 -11.641 13.819 1.571 544 HG2 ARG 68 2HG ARG 68 -14.231 12.456 1.999 545 HG3 ARG 68 1HG ARG 68 -14.017 13.943 2.923 546 HD2 ARG 68 2HD ARG 68 -13.739 15.259 0.972 547 HD3 ARG 68 1HD ARG 68 -13.386 13.840 -0.036 548 HH11 ARG 68 1HH2 ARG 68 -15.602 16.279 -0.517 549 HH12 ARG 68 2HH2 ARG 68 -16.911 16.839 0.469 550 HH21 ARG 68 2HH1 ARG 68 -17.147 13.888 2.291 551 HH22 ARG 68 1HH1 ARG 68 -17.793 15.477 2.061 552 H SER 69 H SER 69 -9.346 11.635 1.292 553 HA SER 69 HA SER 69 -9.143 12.631 -1.374 554 HG SER 69 HG SER 69 -7.136 12.083 1.511 555 HB2 SER 69 2HB SER 69 -7.258 10.686 -0.028 556 HB3 SER 69 1HB SER 69 -6.855 11.949 -1.185 557 H GLN 70 H GLN 70 -8.744 11.480 -3.350 558 HA GLN 70 HA GLN 70 -10.124 8.866 -3.525 559 HB2 GLN 70 2HB GLN 70 -10.591 10.875 -4.999 560 HB3 GLN 70 1HB GLN 70 -8.989 10.650 -5.699 561 HG2 GLN 70 2HG GLN 70 -9.567 8.532 -6.612 562 HG3 GLN 70 1HG GLN 70 -11.022 8.415 -5.622 563 HE21 GLN 70 1HE2 GLN 70 -12.768 8.576 -7.062 564 HE22 GLN 70 2HE2 GLN 70 -12.917 9.764 -8.264 565 H SER 71 H SER 71 -7.069 10.263 -4.815 566 HA SER 71 HA SER 71 -5.949 7.601 -5.305 567 HG SER 71 HG SER 71 -4.804 11.350 -6.139 568 HB2 SER 71 2HB SER 71 -3.972 9.023 -6.000 569 HB3 SER 71 1HB SER 71 -5.476 9.420 -6.825 570 H GLY 72 H GLY 72 -5.728 10.078 -2.803 571 HA2 GLY 72 2HA GLY 72 -3.318 9.256 -1.534 572 HA3 GLY 72 1HA GLY 72 -4.646 10.084 -0.722 573 H VAL 73 H VAL 73 -6.693 8.175 -0.976 574 HA VAL 73 HA VAL 73 -6.169 6.416 1.195 575 HB VAL 73 HB VAL 73 -8.374 7.267 0.089 576 HG11 VAL 73 1HG1 VAL 73 -7.822 6.221 -2.142 577 HG12 VAL 73 2HG1 VAL 73 -9.413 5.800 -1.511 578 HG13 VAL 73 3HG1 VAL 73 -8.084 4.645 -1.397 579 HG21 VAL 73 3HG2 VAL 73 -8.705 5.979 1.995 580 HG22 VAL 73 1HG2 VAL 73 -7.840 4.592 1.333 581 HG23 VAL 73 2HG2 VAL 73 -9.472 4.960 0.780 582 H ALA 74 H ALA 74 -5.921 5.863 -2.313 583 HA ALA 74 HA ALA 74 -5.427 3.037 -2.189 584 HB1 ALA 74 3HB ALA 74 -4.470 3.484 -4.487 585 HB2 ALA 74 1HB ALA 74 -4.657 5.208 -4.165 586 HB3 ALA 74 2HB ALA 74 -6.078 4.166 -4.243 587 H GLY 75 H GLY 75 -3.196 5.830 -2.349 588 HA2 GLY 75 2HA GLY 75 -0.789 4.291 -2.207 589 HA3 GLY 75 1HA GLY 75 -0.926 5.998 -1.782 590 H LYS 76 H LYS 76 -2.885 5.739 0.271 591 HA LYS 76 HA LYS 76 -1.266 5.167 2.553 592 HB2 LYS 76 2HB LYS 76 -4.080 5.851 1.909 593 HB3 LYS 76 1HB LYS 76 -3.833 5.069 3.468 594 HG2 LYS 76 2HG LYS 76 -1.773 6.998 3.207 595 HG3 LYS 76 1HG LYS 76 -3.268 7.792 2.716 596 HD2 LYS 76 2HD LYS 76 -2.912 8.016 5.148 597 HD3 LYS 76 1HD LYS 76 -4.353 7.057 4.809 598 HE2 LYS 76 2HE LYS 76 -3.418 5.116 5.625 599 HE3 LYS 76 1HE LYS 76 -1.789 5.549 5.073 600 HZ1 LYS 76 3HZ LYS 76 -1.895 7.385 6.789 601 HZ2 LYS 76 1HZ LYS 76 -1.746 5.808 7.395 602 HZ3 LYS 76 2HZ LYS 76 -3.254 6.590 7.432 603 H THR 77 H THR 77 -3.803 3.236 0.913 604 HA THR 77 HA THR 77 -3.847 1.063 2.765 605 HB THR 77 HB THR 77 -4.388 1.261 -0.218 606 HG1 THR 77 HG1 THR 77 -5.981 2.348 0.621 607 HG21 THR 77 3HG2 THR 77 -4.003 -1.078 0.369 608 HG22 THR 77 1HG2 THR 77 -5.725 -0.814 0.095 609 HG23 THR 77 2HG2 THR 77 -5.103 -0.941 1.740 610 H ALA 78 H ALA 78 -1.863 1.643 -0.136 611 HA ALA 78 HA ALA 78 -0.453 -0.899 0.063 612 HB1 ALA 78 3HB ALA 78 -0.809 0.323 -2.051 613 HB2 ALA 78 1HB ALA 78 0.916 0.143 -1.736 614 HB3 ALA 78 2HB ALA 78 0.120 1.685 -1.426 615 H LYS 79 H LYS 79 0.164 2.452 1.070 616 HA LYS 79 HA LYS 79 2.895 2.049 1.928 617 HB2 LYS 79 2HB LYS 79 1.387 4.185 1.434 618 HB3 LYS 79 1HB LYS 79 1.059 4.077 3.162 619 HG2 LYS 79 2HG LYS 79 3.904 3.781 2.441 620 HG3 LYS 79 1HG LYS 79 3.221 5.365 2.073 621 HD2 LYS 79 2HD LYS 79 2.815 4.041 4.758 622 HD3 LYS 79 1HD LYS 79 4.218 5.053 4.422 623 HE2 LYS 79 2HE LYS 79 1.553 6.189 3.690 624 HE3 LYS 79 1HE LYS 79 1.943 6.091 5.419 625 HZ1 LYS 79 3HZ LYS 79 2.804 8.145 4.515 626 HZ2 LYS 79 1HZ LYS 79 3.642 7.305 3.301 627 HZ3 LYS 79 2HZ LYS 79 4.101 7.124 4.927 628 H ASP 80 H ASP 80 -0.258 1.842 3.580 629 HA ASP 80 HA ASP 80 0.822 1.432 6.233 630 HB2 ASP 80 2HB ASP 80 -1.824 0.873 4.859 631 HB3 ASP 80 1HB ASP 80 -1.570 0.516 6.563 632 H PHE 81 H PHE 81 -0.061 -0.715 3.547 633 HA PHE 81 HA PHE 81 0.203 -3.214 4.958 634 HD1 PHE 81 HD1 PHE 81 2.398 -4.019 1.702 635 HD2 PHE 81 HD2 PHE 81 -1.413 -5.272 3.240 636 HE1 PHE 81 HE1 PHE 81 2.970 -6.377 1.197 637 HE2 PHE 81 HE2 PHE 81 -0.839 -7.631 2.734 638 HZ PHE 81 HZ PHE 81 1.353 -8.184 1.715 639 HB2 PHE 81 2HB PHE 81 -0.970 -2.941 2.817 640 HB3 PHE 81 1HB PHE 81 0.522 -2.415 2.042 641 H VAL 82 H VAL 82 2.495 -1.222 3.070 642 HA VAL 82 HA VAL 82 4.716 -3.038 3.195 643 HB VAL 82 HB VAL 82 4.568 -0.011 2.972 644 HG11 VAL 82 1HG1 VAL 82 6.823 -0.199 3.283 645 HG12 VAL 82 2HG1 VAL 82 6.813 -0.774 1.616 646 HG13 VAL 82 3HG1 VAL 82 6.824 -1.930 2.947 647 HG21 VAL 82 3HG2 VAL 82 4.162 -0.290 0.738 648 HG22 VAL 82 1HG2 VAL 82 3.534 -1.855 1.249 649 HG23 VAL 82 2HG2 VAL 82 5.179 -1.726 0.633 650 H ARG 83 H ARG 83 3.615 -0.421 5.363 651 HA ARG 83 HA ARG 83 5.877 -0.452 7.137 652 HE ARG 83 HE ARG 83 5.933 3.276 10.010 653 HB2 ARG 83 2HB ARG 83 3.844 1.182 6.849 654 HB3 ARG 83 1HB ARG 83 3.041 0.113 7.998 655 HG2 ARG 83 2HG ARG 83 4.046 1.780 9.353 656 HG3 ARG 83 1HG ARG 83 5.140 0.401 9.469 657 HD2 ARG 83 2HD ARG 83 6.617 1.393 7.765 658 HD3 ARG 83 1HD ARG 83 5.502 2.762 7.581 659 HH11 ARG 83 2HH1 ARG 83 7.435 0.556 10.333 660 HH12 ARG 83 1HH1 ARG 83 9.062 1.129 10.478 661 HH21 ARG 83 1HH2 ARG 83 8.325 4.323 9.332 662 HH22 ARG 83 2HH2 ARG 83 9.565 3.262 9.917 663 H LYS 84 H LYS 84 2.818 -2.319 7.107 664 HA LYS 84 HA LYS 84 3.305 -3.690 9.616 665 HB2 LYS 84 2HB LYS 84 1.539 -4.064 7.195 666 HB3 LYS 84 1HB LYS 84 1.573 -5.288 8.466 667 HG2 LYS 84 2HG LYS 84 0.976 -3.592 10.142 668 HG3 LYS 84 1HG LYS 84 0.975 -2.345 8.894 669 HD2 LYS 84 2HD LYS 84 -1.293 -2.897 9.018 670 HD3 LYS 84 1HD LYS 84 -0.742 -3.923 7.694 671 HE2 LYS 84 2HE LYS 84 -0.758 -5.870 9.025 672 HE3 LYS 84 1HE LYS 84 -0.701 -4.945 10.538 673 HZ1 LYS 84 3HZ LYS 84 -2.884 -4.044 10.040 674 HZ2 LYS 84 1HZ LYS 84 -2.949 -5.737 10.080 675 HZ3 LYS 84 2HZ LYS 84 -2.948 -4.925 8.585 676 H ALA 85 H ALA 85 4.154 -4.327 6.231 677 HA ALA 85 HA ALA 85 5.190 -7.009 6.741 678 HB1 ALA 85 3HB ALA 85 6.206 -6.486 4.397 679 HB2 ALA 85 1HB ALA 85 5.271 -4.993 4.491 680 HB3 ALA 85 2HB ALA 85 4.449 -6.554 4.535 681 H PHE 86 H PHE 86 6.421 -3.721 6.821 682 HA PHE 86 HA PHE 86 9.246 -4.334 6.785 683 HD1 PHE 86 HD2 PHE 86 11.131 -2.671 7.650 684 HD2 PHE 86 HD1 PHE 86 8.235 -1.061 4.918 685 HE1 PHE 86 HE2 PHE 86 12.961 -1.880 6.175 686 HE2 PHE 86 HE1 PHE 86 10.064 -0.269 3.444 687 HZ PHE 86 HZ PHE 86 12.428 -0.678 4.072 688 HB2 PHE 86 2HB PHE 86 7.500 -2.083 6.867 689 HB3 PHE 86 1HB PHE 86 8.567 -1.941 8.260 690 H GLN 87 H GLN 87 6.855 -3.806 9.409 691 HA GLN 87 HA GLN 87 8.747 -4.016 11.573 692 HB2 GLN 87 2HB GLN 87 6.658 -4.331 12.926 693 HB3 GLN 87 1HB GLN 87 6.567 -2.956 11.830 694 HG2 GLN 87 2HG GLN 87 5.225 -4.209 10.267 695 HG3 GLN 87 1HG GLN 87 5.474 -5.703 11.168 696 HE21 GLN 87 1HE2 GLN 87 4.052 -2.413 11.555 697 HE22 GLN 87 2HE2 GLN 87 2.859 -2.900 12.658 698 H LYS 88 H LYS 88 6.779 -6.435 9.860 699 HA LYS 88 HA LYS 88 7.431 -8.621 11.664 700 HB2 LYS 88 2HB LYS 88 6.000 -8.147 9.112 701 HB3 LYS 88 1HB LYS 88 6.664 -9.771 9.303 702 HG2 LYS 88 2HG LYS 88 5.352 -10.238 11.169 703 HG3 LYS 88 1HG LYS 88 5.161 -8.535 11.587 704 HD2 LYS 88 2HD LYS 88 3.920 -8.453 9.237 705 HD3 LYS 88 1HD LYS 88 3.677 -10.169 9.566 706 HE2 LYS 88 2HE LYS 88 3.012 -9.094 11.996 707 HE3 LYS 88 1HE LYS 88 2.463 -7.815 10.893 708 HZ1 LYS 88 3HZ LYS 88 0.751 -9.502 11.147 709 HZ2 LYS 88 1HZ LYS 88 1.832 -10.713 10.656 710 HZ3 LYS 88 2HZ LYS 88 1.348 -9.513 9.556 711 H GLY 89 H GLY 89 8.478 -7.863 8.312 712 HA2 GLY 89 2HA GLY 89 11.075 -7.940 8.160 713 HA3 GLY 89 1HA GLY 89 10.856 -9.583 8.750 714 H LEU 90 H LEU 90 9.151 -7.636 6.262 715 HA LEU 90 HA LEU 90 9.630 -9.896 4.353 716 HG LEU 90 HG LEU 90 7.339 -10.747 5.473 717 HB2 LEU 90 2HB LEU 90 7.255 -8.341 5.160 718 HB3 LEU 90 1HB LEU 90 7.433 -8.522 3.416 719 HD11 LEU 90 1HD1 LEU 90 5.138 -10.748 5.015 720 HD12 LEU 90 2HD1 LEU 90 5.501 -11.054 3.317 721 HD13 LEU 90 3HD1 LEU 90 5.353 -9.397 3.903 722 HD21 LEU 90 3HD2 LEU 90 8.722 -11.785 3.969 723 HD22 LEU 90 1HD2 LEU 90 8.329 -10.654 2.674 724 HD23 LEU 90 2HD2 LEU 90 7.233 -11.984 3.046 725 H ILE 91 H ILE 91 8.706 -6.427 4.255 726 HA ILE 91 HA ILE 91 10.271 -6.084 1.776 727 HB ILE 91 HB ILE 91 8.559 -4.168 3.404 728 HG12 ILE 91 2HG1 ILE 91 7.838 -5.625 0.844 729 HG13 ILE 91 1HG1 ILE 91 7.419 -6.246 2.440 730 HG21 ILE 91 1HG2 ILE 91 9.693 -4.016 0.594 731 HG22 ILE 91 2HG2 ILE 91 10.088 -2.959 1.950 732 HG23 ILE 91 3HG2 ILE 91 8.479 -2.906 1.232 733 HD11 ILE 91 3HD1 ILE 91 6.358 -3.941 2.868 734 HD12 ILE 91 1HD1 ILE 91 5.507 -5.020 1.763 735 HD13 ILE 91 2HD1 ILE 91 6.483 -3.695 1.126 736 H SER 92 H SER 92 12.308 -6.563 3.036 737 HA SER 92 HA SER 92 13.322 -4.891 5.115 738 HG SER 92 HG SER 92 16.502 -6.197 3.887 739 HB2 SER 92 2HB SER 92 14.270 -7.051 4.560 740 HB3 SER 92 1HB SER 92 14.620 -6.531 2.915 741 H GLN 93 H GLN 93 15.485 -3.579 4.603 742 HA GLN 93 HA GLN 93 14.782 -1.208 3.168 743 HB2 GLN 93 2HB GLN 93 16.474 -1.584 5.053 744 HB3 GLN 93 1HB GLN 93 17.569 -2.210 3.822 745 HG2 GLN 93 2HG GLN 93 18.172 0.055 3.943 746 HG3 GLN 93 1HG GLN 93 17.060 0.024 2.573 747 HE21 GLN 93 1HE2 GLN 93 15.010 1.093 2.809 748 HE22 GLN 93 2HE2 GLN 93 14.604 1.997 4.186 749 H GLN 94 H GLN 94 17.184 -3.733 2.314 750 HA GLN 94 HA GLN 94 17.675 -2.720 -0.338 751 HB2 GLN 94 2HB GLN 94 18.869 -4.859 -0.603 752 HB3 GLN 94 1HB GLN 94 19.212 -4.163 0.978 753 HG2 GLN 94 2HG GLN 94 17.557 -5.641 2.022 754 HG3 GLN 94 1HG GLN 94 17.124 -6.299 0.444 755 HE21 GLN 94 1HE2 GLN 94 18.390 -8.025 -0.351 756 HE22 GLN 94 2HE2 GLN 94 19.810 -8.577 0.395 757 H GLU 95 H GLU 95 15.289 -4.967 0.977 758 HA GLU 95 HA GLU 95 14.441 -6.205 -1.466 759 HB2 GLU 95 2HB GLU 95 13.942 -6.711 1.041 760 HB3 GLU 95 1HB GLU 95 12.651 -5.521 0.864 761 HG2 GLU 95 2HG GLU 95 11.453 -7.373 0.236 762 HG3 GLU 95 1HG GLU 95 12.168 -7.006 -1.333 763 H ALA 96 H ALA 96 13.247 -3.287 0.241 764 HA ALA 96 HA ALA 96 11.173 -2.651 -1.648 765 HB1 ALA 96 3HB ALA 96 11.103 -1.638 0.499 766 HB2 ALA 96 1HB ALA 96 11.573 -0.316 -0.568 767 HB3 ALA 96 2HB ALA 96 12.791 -1.136 0.408 768 H ASN 97 H ASN 97 14.612 -1.772 -1.441 769 HA ASN 97 HA ASN 97 14.631 0.112 -3.615 770 HB2 ASN 97 2HB ASN 97 16.567 -1.463 -1.985 771 HB3 ASN 97 1HB ASN 97 17.162 -0.837 -3.523 772 HD21 ASN 97 1HD2 ASN 97 16.795 1.591 -3.878 773 HD22 ASN 97 2HD2 ASN 97 16.849 2.605 -2.519 774 H GLN 98 H GLN 98 15.086 -3.421 -3.464 775 HA GLN 98 HA GLN 98 15.931 -3.753 -6.195 776 HB2 GLN 98 2HB GLN 98 15.428 -5.334 -3.890 777 HB3 GLN 98 1HB GLN 98 14.429 -6.004 -5.179 778 HG2 GLN 98 2HG GLN 98 17.333 -5.323 -5.647 779 HG3 GLN 98 1HG GLN 98 16.854 -6.883 -4.974 780 HE21 GLN 98 1HE2 GLN 98 15.772 -8.399 -6.385 781 HE22 GLN 98 2HE2 GLN 98 15.613 -8.129 -8.053 782 H TRP 99 H TRP 99 12.712 -3.817 -4.632 783 HA TRP 99 HA TRP 99 11.249 -4.493 -7.031 784 HD1 TRP 99 HD1 TRP 99 9.353 -5.583 -7.252 785 HE1 TRP 99 HE1 TRP 99 6.874 -5.253 -7.878 786 HE3 TRP 99 HE3 TRP 99 8.167 -1.705 -4.150 787 HZ2 TRP 99 HZ2 TRP 99 4.679 -3.572 -7.151 788 HZ3 TRP 99 HZ3 TRP 99 5.878 -0.767 -4.133 789 HH2 TRP 99 HH2 TRP 99 4.134 -1.691 -5.635 790 HB2 TRP 99 2HB TRP 99 10.499 -4.626 -4.601 791 HB3 TRP 99 1HB TRP 99 10.304 -2.874 -4.650 792 H LEU 100 H LEU 100 12.141 -1.413 -5.477 793 HA LEU 100 HA LEU 100 10.745 0.385 -7.178 794 HG LEU 100 HG LEU 100 11.109 0.427 -4.443 795 HB2 LEU 100 2HB LEU 100 13.338 0.512 -5.619 796 HB3 LEU 100 1HB LEU 100 12.748 1.907 -6.522 797 HD11 LEU 100 1HD1 LEU 100 13.165 1.629 -3.547 798 HD12 LEU 100 2HD1 LEU 100 11.623 2.193 -2.902 799 HD13 LEU 100 3HD1 LEU 100 12.452 3.125 -4.151 800 HD21 LEU 100 3HD2 LEU 100 10.720 2.917 -6.102 801 HD22 LEU 100 1HD2 LEU 100 9.850 2.687 -4.586 802 HD23 LEU 100 2HD2 LEU 100 9.631 1.543 -5.909 803 H SER 101 H SER 101 13.904 -1.216 -7.601 804 HA SER 101 HA SER 101 14.521 0.138 -10.111 805 HG SER 101 HG SER 101 16.964 -0.474 -10.457 806 HB2 SER 101 2HB SER 101 16.159 -0.828 -8.448 807 HB3 SER 101 1HB SER 101 15.615 -2.433 -8.921 808 H SER 102 HN SER 102 13.283 -3.074 -9.171 809 HA SER 102 HA SER 102 12.135 -3.394 -11.901 810 HG SER 102 HG SER 102 14.474 -3.691 -12.454 811 HB2 SER 102 2HB SER 102 14.219 -5.012 -10.512 812 HB3 SER 102 1HB SER 102 13.009 -5.902 -11.430 Start of MODEL 10 1 HA GLU 1 HA GLU 1 18.736 10.633 14.360 2 H1 GLU 1 1H GLU 1 18.914 12.036 16.242 3 H2 GLU 1 2H GLU 1 20.475 11.422 15.978 4 H3 GLU 1 3H GLU 1 19.510 10.789 17.225 5 HB2 GLU 1 2HB GLU 1 19.653 8.287 14.543 6 HB3 GLU 1 1HB GLU 1 20.888 9.541 14.632 7 HG2 GLU 1 2HG GLU 1 19.755 8.809 17.252 8 HG3 GLU 1 1HG GLU 1 20.597 7.487 16.446 9 H ALA 2 H ALA 2 16.622 11.218 15.526 10 HA ALA 2 HA ALA 2 15.229 8.711 16.283 11 HB1 ALA 2 3HB ALA 2 14.312 10.080 18.311 12 HB2 ALA 2 1HB ALA 2 15.729 11.098 18.058 13 HB3 ALA 2 2HB ALA 2 15.929 9.387 18.433 14 H TYR 3 H TYR 3 12.808 9.205 16.566 15 HA TYR 3 HA TYR 3 10.787 10.146 15.814 16 HD1 TYR 3 HD1 TYR 3 9.455 12.515 14.240 17 HD2 TYR 3 HD2 TYR 3 10.985 12.646 18.252 18 HE1 TYR 3 HE1 TYR 3 7.235 13.252 15.063 19 HE2 TYR 3 HE2 TYR 3 8.766 13.383 19.074 20 HH TYR 3 HH TYR 3 6.602 14.735 17.563 21 HB2 TYR 3 2HB TYR 3 12.458 12.260 16.454 22 HB3 TYR 3 1HB TYR 3 11.972 12.640 14.803 23 H VAL 4 H VAL 4 13.204 11.530 13.530 24 HA VAL 4 HA VAL 4 11.546 10.778 11.229 25 HB VAL 4 HB VAL 4 14.341 11.944 11.512 26 HG11 VAL 4 1HG1 VAL 4 14.225 11.052 9.314 27 HG12 VAL 4 2HG1 VAL 4 13.796 12.751 9.127 28 HG13 VAL 4 3HG1 VAL 4 12.535 11.519 9.126 29 HG21 VAL 4 3HG2 VAL 4 12.704 13.444 12.455 30 HG22 VAL 4 1HG2 VAL 4 11.600 13.178 11.106 31 HG23 VAL 4 2HG2 VAL 4 13.105 14.063 10.853 32 H GLN 5 H GLN 5 11.869 8.994 9.893 33 HA GLN 5 HA GLN 5 14.323 7.340 10.301 34 HB2 GLN 5 2HB GLN 5 12.989 5.362 10.650 35 HB3 GLN 5 1HB GLN 5 12.365 6.599 11.738 36 HG2 GLN 5 2HG GLN 5 11.151 6.313 9.004 37 HG3 GLN 5 1HG GLN 5 10.698 5.175 10.270 38 HE21 GLN 5 1HE2 GLN 5 9.841 6.192 12.351 39 HE22 GLN 5 2HE2 GLN 5 9.004 7.664 12.236 40 H GLY 6 H GLY 6 14.882 6.046 8.469 41 HA2 GLY 6 2HA GLY 6 13.906 7.084 5.915 42 HA3 GLY 6 1HA GLY 6 15.200 5.906 6.128 43 H TRP 7 H TRP 7 13.269 4.299 7.920 44 HA TRP 7 HA TRP 7 12.384 2.419 5.972 45 HD1 TRP 7 HD1 TRP 7 14.467 2.282 6.953 46 HE1 TRP 7 HE1 TRP 7 15.938 0.350 7.808 47 HE3 TRP 7 HE3 TRP 7 11.158 -0.028 10.085 48 HZ2 TRP 7 HZ2 TRP 7 15.742 -1.883 9.583 49 HZ3 TRP 7 HZ3 TRP 7 11.828 -2.054 11.345 50 HH2 TRP 7 HH2 TRP 7 14.113 -2.984 11.098 51 HB2 TRP 7 2HB TRP 7 11.761 3.010 8.862 52 HB3 TRP 7 1HB TRP 7 10.900 1.724 8.021 53 H GLU 8 H GLU 8 10.531 4.952 7.713 54 HA GLU 8 HA GLU 8 7.986 4.394 6.546 55 HB2 GLU 8 2HB GLU 8 8.783 5.965 8.506 56 HB3 GLU 8 1HB GLU 8 8.909 7.177 7.229 57 HG2 GLU 8 2HG GLU 8 6.532 6.595 6.574 58 HG3 GLU 8 1HG GLU 8 6.442 5.617 8.039 59 H ALA 9 H ALA 9 10.663 6.479 5.451 60 HA ALA 9 HA ALA 9 9.332 7.640 3.194 61 HB1 ALA 9 3HB ALA 9 11.470 8.402 4.257 62 HB2 ALA 9 1HB ALA 9 11.623 8.196 2.511 63 HB3 ALA 9 2HB ALA 9 12.267 6.971 3.604 64 H VAL 10 H VAL 10 11.267 4.669 3.573 65 HA VAL 10 HA VAL 10 11.267 3.880 0.812 66 HB VAL 10 HB VAL 10 11.458 2.354 3.432 67 HG11 VAL 10 1HG1 VAL 10 11.900 1.453 0.577 68 HG12 VAL 10 2HG1 VAL 10 10.839 0.730 1.786 69 HG13 VAL 10 3HG1 VAL 10 12.589 0.602 1.960 70 HG21 VAL 10 3HG2 VAL 10 13.748 2.799 1.561 71 HG22 VAL 10 1HG2 VAL 10 13.741 2.702 3.322 72 HG23 VAL 10 2HG2 VAL 10 13.196 4.173 2.518 73 H ALA 11 H ALA 11 9.044 3.247 3.515 74 HA ALA 11 HA ALA 11 7.304 1.413 2.177 75 HB1 ALA 11 3HB ALA 11 5.815 1.934 4.035 76 HB2 ALA 11 1HB ALA 11 6.662 3.452 4.331 77 HB3 ALA 11 2HB ALA 11 7.471 1.916 4.644 78 H ALA 12 H ALA 12 7.315 4.975 2.407 79 HA ALA 12 HA ALA 12 4.826 5.451 1.073 80 HB1 ALA 12 3HB ALA 12 5.599 7.702 1.015 81 HB2 ALA 12 1HB ALA 12 7.287 7.202 0.925 82 HB3 ALA 12 2HB ALA 12 6.389 7.011 2.431 83 H ALA 13 H ALA 13 8.170 5.126 -0.141 84 HA ALA 13 HA ALA 13 7.619 5.691 -2.896 85 HB1 ALA 13 3HB ALA 13 9.694 3.811 -1.729 86 HB2 ALA 13 1HB ALA 13 9.851 5.567 -1.696 87 HB3 ALA 13 2HB ALA 13 9.810 4.714 -3.239 88 H VAL 14 H VAL 14 7.591 2.647 -1.028 89 HA VAL 14 HA VAL 14 7.059 0.872 -3.216 90 HB VAL 14 HB VAL 14 6.355 0.765 -0.260 91 HG11 VAL 14 1HG1 VAL 14 6.141 -1.263 -2.473 92 HG12 VAL 14 2HG1 VAL 14 4.996 -0.906 -1.181 93 HG13 VAL 14 3HG1 VAL 14 6.478 -1.792 -0.825 94 HG21 VAL 14 3HG2 VAL 14 8.495 -0.956 -1.298 95 HG22 VAL 14 1HG2 VAL 14 8.497 0.114 0.104 96 HG23 VAL 14 2HG2 VAL 14 8.839 0.762 -1.499 97 H ALA 15 H ALA 15 4.907 2.709 -1.039 98 HA ALA 15 HA ALA 15 2.418 1.675 -2.011 99 HB1 ALA 15 3HB ALA 15 3.278 4.280 -0.722 100 HB2 ALA 15 1HB ALA 15 2.553 2.882 0.071 101 HB3 ALA 15 2HB ALA 15 1.587 3.877 -1.019 102 H SER 16 H SER 16 4.466 4.400 -3.041 103 HA SER 16 HA SER 16 2.709 5.533 -4.992 104 HG SER 16 HG SER 16 5.145 7.760 -5.559 105 HB2 SER 16 2HB SER 16 4.978 6.315 -3.926 106 HB3 SER 16 1HB SER 16 5.710 5.426 -5.259 107 H LYS 17 H LYS 17 5.200 2.973 -5.224 108 HA LYS 17 HA LYS 17 4.985 2.554 -8.057 109 HB2 LYS 17 2HB LYS 17 6.846 1.799 -6.580 110 HB3 LYS 17 1HB LYS 17 5.755 0.628 -5.837 111 HG2 LYS 17 2HG LYS 17 5.852 -0.784 -7.621 112 HG3 LYS 17 1HG LYS 17 5.821 0.537 -8.789 113 HD2 LYS 17 2HD LYS 17 8.271 0.950 -7.747 114 HD3 LYS 17 1HD LYS 17 8.147 -0.790 -7.489 115 HE2 LYS 17 2HE LYS 17 7.480 0.443 -10.173 116 HE3 LYS 17 1HE LYS 17 9.136 -0.034 -9.753 117 HZ1 LYS 17 3HZ LYS 17 6.731 -1.784 -9.631 118 HZ2 LYS 17 1HZ LYS 17 8.298 -2.238 -9.157 119 HZ3 LYS 17 2HZ LYS 17 7.975 -1.878 -10.786 120 H ILE 18 H ILE 18 3.145 1.294 -5.293 121 HA ILE 18 HA ILE 18 1.763 -0.819 -6.656 122 HB ILE 18 HB ILE 18 1.234 0.903 -4.226 123 HG12 ILE 18 2HG1 ILE 18 3.037 -0.915 -4.293 124 HG13 ILE 18 1HG1 ILE 18 1.852 -1.051 -2.996 125 HG21 ILE 18 1HG2 ILE 18 -0.976 0.347 -5.011 126 HG22 ILE 18 2HG2 ILE 18 -0.603 -0.754 -3.684 127 HG23 ILE 18 3HG2 ILE 18 -0.496 -1.316 -5.352 128 HD11 ILE 18 3HD1 ILE 18 0.712 -2.826 -4.051 129 HD12 ILE 18 1HD1 ILE 18 2.410 -3.191 -4.356 130 HD13 ILE 18 2HD1 ILE 18 1.423 -2.467 -5.624 131 H VAL 19 H VAL 19 0.894 2.600 -6.050 132 HA VAL 19 HA VAL 19 -1.658 2.574 -7.328 133 HB VAL 19 HB VAL 19 0.446 4.689 -6.793 134 HG11 VAL 19 1HG1 VAL 19 -2.316 5.012 -7.999 135 HG12 VAL 19 2HG1 VAL 19 -0.778 5.535 -8.688 136 HG13 VAL 19 3HG1 VAL 19 -1.421 6.339 -7.256 137 HG21 VAL 19 3HG2 VAL 19 -1.404 5.415 -5.168 138 HG22 VAL 19 1HG2 VAL 19 -0.584 3.902 -4.785 139 HG23 VAL 19 2HG2 VAL 19 -2.183 3.875 -5.529 140 H GLY 20 H GLY 20 1.611 3.227 -8.625 141 HA2 GLY 20 2HA GLY 20 0.635 3.830 -11.301 142 HA3 GLY 20 1HA GLY 20 2.317 3.584 -10.845 143 H LEU 21 H LEU 21 1.363 0.847 -9.629 144 HA LEU 21 HA LEU 21 1.309 -0.592 -12.258 145 HG LEU 21 HG LEU 21 2.229 -2.989 -11.951 146 HB2 LEU 21 2HB LEU 21 3.375 -0.521 -10.620 147 HB3 LEU 21 1HB LEU 21 2.454 -1.738 -9.734 148 HD11 LEU 21 1HD1 LEU 21 4.675 -1.818 -13.017 149 HD12 LEU 21 2HD1 LEU 21 3.372 -0.631 -12.942 150 HD13 LEU 21 3HD1 LEU 21 3.143 -2.137 -13.831 151 HD21 LEU 21 3HD2 LEU 21 5.009 -3.277 -11.745 152 HD22 LEU 21 1HD2 LEU 21 3.795 -4.194 -10.855 153 HD23 LEU 21 2HD2 LEU 21 4.500 -2.745 -10.142 154 H TRP 22 H TRP 22 -0.951 0.153 -10.209 155 HA TRP 22 HA TRP 22 -1.867 -2.531 -9.364 156 HD1 TRP 22 HD1 TRP 22 -3.757 -3.317 -8.016 157 HE1 TRP 22 HE1 TRP 22 -6.278 -3.382 -7.476 158 HE3 TRP 22 HE3 TRP 22 -4.921 1.620 -8.614 159 HZ2 TRP 22 HZ2 TRP 22 -8.493 -1.583 -7.320 160 HZ3 TRP 22 HZ3 TRP 22 -7.242 2.416 -8.263 161 HH2 TRP 22 HH2 TRP 22 -9.027 0.822 -7.617 162 HB2 TRP 22 2HB TRP 22 -2.134 -0.724 -7.799 163 HB3 TRP 22 1HB TRP 22 -2.847 0.319 -9.025 164 H ARG 23 H ARG 23 -3.510 -3.647 -10.412 165 HA ARG 23 HA ARG 23 -4.524 -2.533 -12.983 166 HE ARG 23 HE ARG 23 -3.663 -4.517 -16.491 167 HB2 ARG 23 2HB ARG 23 -3.466 -4.960 -12.182 168 HB3 ARG 23 1HB ARG 23 -5.195 -5.295 -12.175 169 HG2 ARG 23 2HG ARG 23 -5.175 -5.445 -14.422 170 HG3 ARG 23 1HG ARG 23 -4.598 -3.782 -14.529 171 HD2 ARG 23 2HD ARG 23 -2.254 -4.635 -14.147 172 HD3 ARG 23 1HD ARG 23 -2.897 -6.284 -14.266 173 HH11 ARG 23 2HH1 ARG 23 -0.583 -5.167 -15.934 174 HH12 ARG 23 1HH1 ARG 23 -0.346 -6.377 -17.149 175 HH21 ARG 23 1HH2 ARG 23 -3.743 -6.790 -17.770 176 HH22 ARG 23 2HH2 ARG 23 -2.142 -7.295 -18.198 177 H ASN 24 H ASN 24 -6.949 -3.812 -13.249 178 HA ASN 24 HA ASN 24 -8.862 -2.254 -11.972 179 HB2 ASN 24 2HB ASN 24 -8.739 -4.910 -13.274 180 HB3 ASN 24 1HB ASN 24 -10.137 -4.677 -12.225 181 HD21 ASN 24 1HD2 ASN 24 -10.002 -4.766 -15.256 182 HD22 ASN 24 2HD2 ASN 24 -10.703 -3.307 -15.767 183 H GLU 25 H GLU 25 -7.545 -5.364 -10.792 184 HA GLU 25 HA GLU 25 -8.073 -4.580 -8.004 185 HB2 GLU 25 2HB GLU 25 -9.537 -6.573 -7.614 186 HB3 GLU 25 1HB GLU 25 -10.253 -5.424 -8.742 187 HG2 GLU 25 2HG GLU 25 -10.470 -7.127 -10.207 188 HG3 GLU 25 1HG GLU 25 -8.714 -7.145 -10.349 189 H LYS 26 H LYS 26 -5.701 -5.364 -9.632 190 HA LYS 26 HA LYS 26 -4.767 -7.629 -7.918 191 HB2 LYS 26 2HB LYS 26 -5.607 -8.399 -10.161 192 HB3 LYS 26 1HB LYS 26 -4.368 -7.397 -10.917 193 HG2 LYS 26 2HG LYS 26 -3.237 -9.085 -8.826 194 HG3 LYS 26 1HG LYS 26 -4.058 -10.044 -10.057 195 HD2 LYS 26 2HD LYS 26 -2.784 -8.473 -11.736 196 HD3 LYS 26 1HD LYS 26 -1.718 -8.182 -10.362 197 HE2 LYS 26 2HE LYS 26 -0.901 -10.350 -10.363 198 HE3 LYS 26 1HE LYS 26 -2.414 -11.028 -10.995 199 HZ1 LYS 26 3HZ LYS 26 -0.720 -11.001 -12.718 200 HZ2 LYS 26 1HZ LYS 26 -0.493 -9.332 -12.512 201 HZ3 LYS 26 2HZ LYS 26 -1.971 -9.922 -13.113 202 H THR 27 H THR 27 -2.484 -7.649 -7.588 203 HA THR 27 HA THR 27 -0.795 -5.560 -8.812 204 HB THR 27 HB THR 27 -1.851 -4.296 -7.055 205 HG1 THR 27 HG1 THR 27 0.326 -4.887 -5.529 206 HG21 THR 27 3HG2 THR 27 -1.396 -6.790 -5.429 207 HG22 THR 27 1HG2 THR 27 -2.882 -5.870 -5.653 208 HG23 THR 27 2HG2 THR 27 -1.595 -5.231 -4.631 209 H GLU 28 H GLU 28 1.520 -5.827 -7.969 210 HA GLU 28 HA GLU 28 2.036 -8.588 -6.925 211 HB2 GLU 28 2HB GLU 28 3.068 -7.222 -9.420 212 HB3 GLU 28 1HB GLU 28 3.921 -8.586 -8.697 213 HG2 GLU 28 2HG GLU 28 2.522 -9.969 -9.796 214 HG3 GLU 28 1HG GLU 28 1.209 -9.360 -8.793 215 H LEU 29 H LEU 29 3.271 -8.339 -5.097 216 HA LEU 29 HA LEU 29 5.074 -5.957 -4.909 217 HG LEU 29 HG LEU 29 2.953 -5.296 -4.122 218 HB2 LEU 29 2HB LEU 29 3.518 -7.662 -2.986 219 HB3 LEU 29 1HB LEU 29 4.909 -6.751 -2.402 220 HD11 LEU 29 1HD1 LEU 29 1.892 -4.822 -1.666 221 HD12 LEU 29 2HD1 LEU 29 2.315 -6.525 -1.499 222 HD13 LEU 29 3HD1 LEU 29 1.235 -6.007 -2.793 223 HD21 LEU 29 3HD2 LEU 29 3.647 -3.434 -2.792 224 HD22 LEU 29 1HD2 LEU 29 5.110 -4.368 -3.100 225 HD23 LEU 29 2HD2 LEU 29 4.302 -4.484 -1.536 226 H LEU 30 H LEU 30 7.222 -6.411 -5.201 227 HA LEU 30 HA LEU 30 9.277 -7.564 -5.220 228 HG LEU 30 HG LEU 30 10.684 -9.078 -3.840 229 HB2 LEU 30 2HB LEU 30 8.251 -7.658 -2.741 230 HB3 LEU 30 1HB LEU 30 8.248 -9.386 -3.087 231 HD11 LEU 30 1HD1 LEU 30 11.691 -7.061 -3.637 232 HD12 LEU 30 2HD1 LEU 30 10.999 -6.789 -2.038 233 HD13 LEU 30 3HD1 LEU 30 10.067 -6.394 -3.482 234 HD21 LEU 30 3HD2 LEU 30 11.439 -8.934 -1.366 235 HD22 LEU 30 1HD2 LEU 30 10.327 -10.232 -1.804 236 HD23 LEU 30 2HD2 LEU 30 9.721 -8.787 -0.993 237 H GLY 31 H GLY 31 7.016 -8.616 -6.899 238 HA2 GLY 31 2HA GLY 31 7.037 -10.397 -8.485 239 HA3 GLY 31 1HA GLY 31 8.209 -11.247 -7.481 240 H HIS 32 H HIS 32 6.100 -10.471 -5.191 241 HA HIS 32 HA HIS 32 4.746 -13.077 -5.291 242 HD1 HIS 32 HD1 HIS 32 6.351 -14.114 -3.950 243 HD2 HIS 32 HD2 HIS 32 6.944 -10.510 -1.940 244 HE1 HIS 32 HE1 HIS 32 8.686 -14.215 -2.974 245 HB2 HIS 32 2HB HIS 32 4.581 -10.778 -3.315 246 HB3 HIS 32 1HB HIS 32 4.057 -12.432 -3.030 247 H GLU 33 H GLU 33 2.530 -13.367 -5.635 248 HA GLU 33 HA GLU 33 1.079 -11.300 -7.063 249 HB2 GLU 33 2HB GLU 33 0.914 -14.113 -6.494 250 HB3 GLU 33 1HB GLU 33 -0.646 -13.375 -6.135 251 HG2 GLU 33 2HG GLU 33 -0.321 -12.165 -8.430 252 HG3 GLU 33 1HG GLU 33 0.851 -13.445 -8.742 253 H CYS 34 H CYS 34 -0.403 -9.847 -6.273 254 HA CYS 34 HA CYS 34 -1.374 -10.153 -3.468 255 HB2 CYS 34 2HB CYS 34 0.109 -7.861 -4.753 256 HB3 CYS 34 1HB CYS 34 -0.913 -7.606 -3.343 257 H LYS 35 H LYS 35 -3.203 -8.562 -3.068 258 HA LYS 35 HA LYS 35 -4.726 -7.967 -5.577 259 HB2 LYS 35 2HB LYS 35 -5.325 -10.050 -4.101 260 HB3 LYS 35 1HB LYS 35 -6.027 -8.852 -3.014 261 HG2 LYS 35 2HG LYS 35 -7.853 -9.308 -4.377 262 HG3 LYS 35 1HG LYS 35 -7.134 -7.950 -5.244 263 HD2 LYS 35 2HD LYS 35 -6.650 -9.240 -7.033 264 HD3 LYS 35 1HD LYS 35 -5.924 -10.487 -6.022 265 HE2 LYS 35 2HE LYS 35 -8.910 -10.238 -5.985 266 HE3 LYS 35 1HE LYS 35 -8.149 -10.991 -7.401 267 HZ1 LYS 35 3HZ LYS 35 -7.020 -12.536 -6.045 268 HZ2 LYS 35 1HZ LYS 35 -8.622 -12.535 -5.488 269 HZ3 LYS 35 2HZ LYS 35 -7.421 -11.709 -4.614 270 H PHE 36 H PHE 36 -5.131 -5.815 -5.662 271 HA PHE 36 HA PHE 36 -5.436 -4.296 -3.092 272 HD1 PHE 36 HD1 PHE 36 -5.905 -1.316 -5.272 273 HD2 PHE 36 HD2 PHE 36 -2.670 -2.565 -2.736 274 HE1 PHE 36 HE1 PHE 36 -5.864 0.927 -4.218 275 HE2 PHE 36 HE2 PHE 36 -2.634 -0.323 -1.682 276 HZ PHE 36 HZ PHE 36 -4.231 1.420 -2.423 277 HB2 PHE 36 2HB PHE 36 -3.366 -3.946 -4.531 278 HB3 PHE 36 1HB PHE 36 -4.432 -3.333 -5.788 279 H THR 37 H THR 37 -7.353 -3.074 -2.932 280 HA THR 37 HA THR 37 -8.966 -2.682 -5.419 281 HB THR 37 HB THR 37 -10.963 -3.431 -4.010 282 HG1 THR 37 HG1 THR 37 -9.994 -3.323 -1.982 283 HG21 THR 37 3HG2 THR 37 -10.711 -5.625 -4.724 284 HG22 THR 37 1HG2 THR 37 -9.011 -5.691 -4.253 285 HG23 THR 37 2HG2 THR 37 -9.492 -4.816 -5.708 286 H VAL 38 H VAL 38 -10.416 -0.911 -5.336 287 HA VAL 38 HA VAL 38 -10.264 0.866 -2.929 288 HB VAL 38 HB VAL 38 -9.992 1.618 -5.863 289 HG11 VAL 38 1HG1 VAL 38 -10.123 3.274 -3.330 290 HG12 VAL 38 2HG1 VAL 38 -11.162 3.391 -4.750 291 HG13 VAL 38 3HG1 VAL 38 -9.476 3.901 -4.847 292 HG21 VAL 38 3HG2 VAL 38 -7.723 2.443 -5.020 293 HG22 VAL 38 1HG2 VAL 38 -7.916 0.691 -5.093 294 HG23 VAL 38 2HG2 VAL 38 -8.041 1.529 -3.545 295 H LYS 39 H LYS 39 -12.320 1.475 -2.277 296 HA LYS 39 HA LYS 39 -14.497 1.553 -4.318 297 HB2 LYS 39 2HB LYS 39 -14.044 -0.404 -2.214 298 HB3 LYS 39 1HB LYS 39 -15.606 0.389 -2.018 299 HG2 LYS 39 2HG LYS 39 -16.028 -0.068 -4.479 300 HG3 LYS 39 1HG LYS 39 -14.581 -1.077 -4.461 301 HD2 LYS 39 2HD LYS 39 -16.360 -1.695 -2.232 302 HD3 LYS 39 1HD LYS 39 -17.167 -1.893 -3.787 303 HE2 LYS 39 2HE LYS 39 -14.392 -3.007 -3.449 304 HE3 LYS 39 1HE LYS 39 -15.771 -3.904 -2.787 305 HZ1 LYS 39 3HZ LYS 39 -15.415 -2.976 -5.589 306 HZ2 LYS 39 1HZ LYS 39 -16.873 -3.599 -4.985 307 HZ3 LYS 39 2HZ LYS 39 -15.490 -4.582 -5.043 308 HA PRO 40 HA PRO 40 -15.121 5.213 -1.792 309 HB2 PRO 40 2HB PRO 40 -16.858 6.444 -3.506 310 HB3 PRO 40 1HB PRO 40 -15.100 6.453 -3.745 311 HG2 PRO 40 2HG PRO 40 -17.184 4.835 -5.097 312 HG3 PRO 40 1HG PRO 40 -15.672 5.490 -5.736 313 HD2 PRO 40 2HD PRO 40 -16.068 2.860 -4.985 314 HD3 PRO 40 1HD PRO 40 -14.485 3.652 -5.128 315 H TYR 41 H TYR 41 -17.001 6.061 -0.609 316 HA TYR 41 HA TYR 41 -19.448 4.340 -0.756 317 HD1 TYR 41 HD1 TYR 41 -19.425 2.269 -0.020 318 HD2 TYR 41 HD2 TYR 41 -16.070 3.868 2.133 319 HE1 TYR 41 HE1 TYR 41 -18.272 0.082 -0.194 320 HE2 TYR 41 HE2 TYR 41 -14.919 1.679 1.958 321 HH TYR 41 HH TYR 41 -16.524 -1.156 0.583 322 HB2 TYR 41 2HB TYR 41 -17.890 5.257 1.677 323 HB3 TYR 41 1HB TYR 41 -19.436 4.426 1.743 324 H LEU 42 H LEU 42 -20.976 5.552 1.102 325 HA LEU 42 HA LEU 42 -20.986 8.467 0.457 326 HG LEU 42 HG LEU 42 -23.214 9.475 0.103 327 HB2 LEU 42 2HB LEU 42 -22.470 6.744 -0.955 328 HB3 LEU 42 1HB LEU 42 -23.553 6.942 0.423 329 HD11 LEU 42 1HD1 LEU 42 -21.314 9.487 -1.366 330 HD12 LEU 42 2HD1 LEU 42 -22.689 10.043 -2.319 331 HD13 LEU 42 3HD1 LEU 42 -22.105 8.388 -2.497 332 HD21 LEU 42 3HD2 LEU 42 -24.606 7.940 -2.115 333 HD22 LEU 42 1HD2 LEU 42 -24.989 9.572 -1.569 334 HD23 LEU 42 2HD2 LEU 42 -25.280 8.196 -0.506 335 H LYS 43 H LYS 43 -21.829 9.753 2.073 336 HA LYS 43 HA LYS 43 -22.633 8.411 4.629 337 HB2 LYS 43 2HB LYS 43 -20.459 9.938 4.156 338 HB3 LYS 43 1HB LYS 43 -21.618 11.217 4.507 339 HG2 LYS 43 2HG LYS 43 -21.165 10.822 6.688 340 HG3 LYS 43 1HG LYS 43 -22.125 9.354 6.500 341 HD2 LYS 43 2HD LYS 43 -20.204 8.013 6.116 342 HD3 LYS 43 1HD LYS 43 -19.184 9.420 5.818 343 HE2 LYS 43 2HE LYS 43 -19.267 10.070 8.148 344 HE3 LYS 43 1HE LYS 43 -20.495 8.837 8.497 345 HZ1 LYS 43 3HZ LYS 43 -18.924 7.133 7.764 346 HZ2 LYS 43 1HZ LYS 43 -18.296 8.016 9.069 347 HZ3 LYS 43 2HZ LYS 43 -17.741 8.323 7.493 348 H ARG 44 H ARG 44 -23.960 10.138 5.994 349 HA ARG 44 HA ARG 44 -26.509 10.513 5.054 350 HE ARG 44 HE ARG 44 -25.412 11.506 10.066 351 HB2 ARG 44 2HB ARG 44 -24.741 11.939 6.984 352 HB3 ARG 44 1HB ARG 44 -26.275 12.713 6.587 353 HG2 ARG 44 2HG ARG 44 -27.178 11.357 8.159 354 HG3 ARG 44 1HG ARG 44 -27.017 10.077 6.959 355 HD2 ARG 44 2HD ARG 44 -25.635 9.016 8.413 356 HD3 ARG 44 1HD ARG 44 -24.460 10.318 8.145 357 HH11 ARG 44 1HH2 ARG 44 -28.180 10.305 9.933 358 HH12 ARG 44 2HH2 ARG 44 -28.173 9.247 11.305 359 HH21 ARG 44 2HH1 ARG 44 -24.714 9.287 11.647 360 HH22 ARG 44 1HH1 ARG 44 -26.203 8.669 12.279 361 H PHE 45 H PHE 45 -23.799 12.752 4.488 362 HA PHE 45 HA PHE 45 -25.143 13.813 2.095 363 HD1 PHE 45 HD1 PHE 45 -27.559 15.110 2.478 364 HD2 PHE 45 HD2 PHE 45 -24.025 17.551 2.577 365 HE1 PHE 45 HE1 PHE 45 -28.569 16.641 0.808 366 HE2 PHE 45 HE2 PHE 45 -25.036 19.081 0.907 367 HZ PHE 45 HZ PHE 45 -27.306 18.625 0.023 368 HB2 PHE 45 2HB PHE 45 -25.868 14.988 4.361 369 HB3 PHE 45 1HB PHE 45 -24.321 15.813 4.182 370 H GLN 46 H GLN 46 -22.733 12.358 2.255 371 HA GLN 46 HA GLN 46 -20.833 14.307 1.139 372 HB2 GLN 46 2HB GLN 46 -20.827 13.630 3.921 373 HB3 GLN 46 1HB GLN 46 -19.381 12.935 3.189 374 HG2 GLN 46 2HG GLN 46 -20.209 15.797 2.676 375 HG3 GLN 46 1HG GLN 46 -19.188 15.352 4.044 376 HE21 GLN 46 1HE2 GLN 46 -17.260 13.772 3.273 377 HE22 GLN 46 2HE2 GLN 46 -16.461 14.275 1.862 378 H VAL 47 H VAL 47 -19.149 13.283 -0.044 379 HA VAL 47 HA VAL 47 -19.527 10.363 -0.545 380 HB VAL 47 HB VAL 47 -18.099 12.615 -2.006 381 HG11 VAL 47 1HG1 VAL 47 -18.216 9.645 -2.521 382 HG12 VAL 47 2HG1 VAL 47 -16.818 10.720 -2.570 383 HG13 VAL 47 3HG1 VAL 47 -18.024 10.783 -3.855 384 HG21 VAL 47 3HG2 VAL 47 -20.459 10.950 -2.913 385 HG22 VAL 47 1HG2 VAL 47 -19.884 12.474 -3.586 386 HG23 VAL 47 2HG2 VAL 47 -20.664 12.448 -2.005 387 H TYR 48 H TYR 48 -17.903 8.902 0.015 388 HA TYR 48 HA TYR 48 -15.357 10.048 1.119 389 HD1 TYR 48 HD2 TYR 48 -14.404 9.458 3.872 390 HD2 TYR 48 HD1 TYR 48 -18.592 9.890 3.002 391 HE1 TYR 48 HE2 TYR 48 -14.599 11.177 5.648 392 HE2 TYR 48 HE1 TYR 48 -18.783 11.607 4.778 393 HH TYR 48 HH TYR 48 -16.379 13.257 6.006 394 HB2 TYR 48 2HB TYR 48 -17.318 8.016 2.113 395 HB3 TYR 48 1HB TYR 48 -15.617 7.791 2.519 396 H TYR 49 H TYR 49 -13.484 8.587 0.948 397 HA TYR 49 HA TYR 49 -13.735 6.591 -1.276 398 HD1 TYR 49 HD2 TYR 49 -14.112 9.381 -2.555 399 HD2 TYR 49 HD1 TYR 49 -10.889 6.660 -3.367 400 HE1 TYR 49 HE2 TYR 49 -14.689 9.419 -4.965 401 HE2 TYR 49 HE1 TYR 49 -11.463 6.699 -5.779 402 HH TYR 49 HH TYR 49 -13.821 7.240 -7.099 403 HB2 TYR 49 2HB TYR 49 -12.148 9.000 -0.945 404 HB3 TYR 49 1HB TYR 49 -11.111 7.601 -1.213 405 H LYS 50 H LYS 50 -12.960 4.571 -0.756 406 HA LYS 50 HA LYS 50 -11.071 4.313 1.553 407 HB2 LYS 50 2HB LYS 50 -13.559 3.917 2.043 408 HB3 LYS 50 1HB LYS 50 -13.420 2.487 1.023 409 HG2 LYS 50 2HG LYS 50 -12.224 1.334 2.582 410 HG3 LYS 50 1HG LYS 50 -11.306 2.758 3.072 411 HD2 LYS 50 2HD LYS 50 -12.591 2.852 4.919 412 HD3 LYS 50 1HD LYS 50 -13.943 3.291 3.876 413 HE2 LYS 50 2HE LYS 50 -14.021 0.636 3.490 414 HE3 LYS 50 1HE LYS 50 -13.287 0.646 5.105 415 HZ1 LYS 50 3HZ LYS 50 -15.593 0.747 5.481 416 HZ2 LYS 50 1HZ LYS 50 -15.841 1.889 4.253 417 HZ3 LYS 50 2HZ LYS 50 -15.055 2.345 5.690 418 H GLY 51 H GLY 51 -9.795 2.327 1.478 419 HA2 GLY 51 2HA GLY 51 -9.977 0.678 -0.953 420 HA3 GLY 51 1HA GLY 51 -8.500 1.621 -0.785 421 H ARG 52 H ARG 52 -8.937 -1.320 -0.731 422 HA ARG 52 HA ARG 52 -7.531 -1.885 1.844 423 HE ARG 52 HE ARG 52 -11.778 -4.242 3.280 424 HB2 ARG 52 2HB ARG 52 -10.212 -2.627 1.012 425 HB3 ARG 52 1HB ARG 52 -9.232 -4.069 1.269 426 HG2 ARG 52 2HG ARG 52 -8.585 -2.374 3.406 427 HG3 ARG 52 1HG ARG 52 -10.333 -2.228 3.227 428 HD2 ARG 52 2HD ARG 52 -9.377 -5.004 2.985 429 HD3 ARG 52 1HD ARG 52 -9.073 -4.282 4.576 430 HH11 ARG 52 1HH2 ARG 52 -10.925 -2.611 5.798 431 HH12 ARG 52 2HH2 ARG 52 -11.625 -3.587 7.045 432 HH21 ARG 52 2HH1 ARG 52 -12.133 -6.332 4.972 433 HH22 ARG 52 1HH1 ARG 52 -12.314 -5.701 6.575 434 H MET 53 H MET 53 -5.969 -3.578 1.629 435 HA MET 53 HA MET 53 -5.874 -5.035 -0.969 436 HB2 MET 53 2HB MET 53 -3.631 -4.295 -1.414 437 HB3 MET 53 1HB MET 53 -4.581 -2.859 -1.053 438 HG2 MET 53 2HG MET 53 -3.396 -2.407 0.833 439 HG3 MET 53 1HG MET 53 -3.342 -4.097 1.318 440 HE1 MET 53 3HE MET 53 -2.135 -5.761 0.511 441 HE2 MET 53 1HE MET 53 -0.416 -5.659 0.113 442 HE3 MET 53 2HE MET 53 -1.621 -5.678 -1.171 443 H TRP 54 H TRP 54 -4.661 -6.982 -0.886 444 HA TRP 54 HA TRP 54 -3.346 -7.806 1.618 445 HD1 TRP 54 HD1 TRP 54 -5.404 -11.307 -0.051 446 HE1 TRP 54 HE1 TRP 54 -7.281 -11.350 -1.818 447 HE3 TRP 54 HE3 TRP 54 -7.317 -6.609 0.569 448 HZ2 TRP 54 HZ2 TRP 54 -9.317 -9.621 -2.838 449 HZ3 TRP 54 HZ3 TRP 54 -9.219 -5.834 -0.816 450 HH2 TRP 54 HH2 TRP 54 -10.220 -7.333 -2.517 451 HB2 TRP 54 2HB TRP 54 -4.900 -9.694 1.970 452 HB3 TRP 54 1HB TRP 54 -5.754 -8.157 2.048 453 H CYS 55 H CYS 55 -2.019 -9.692 1.319 454 HA CYS 55 HA CYS 55 -1.700 -10.486 -1.550 455 HB2 CYS 55 2HB CYS 55 0.229 -10.279 0.771 456 HB3 CYS 55 1HB CYS 55 0.667 -10.969 -0.790 457 HA PRO 56 HA PRO 56 -2.955 -14.361 0.518 458 HB2 PRO 56 2HB PRO 56 -4.511 -15.278 -1.538 459 HB3 PRO 56 1HB PRO 56 -5.112 -14.161 -0.299 460 HG2 PRO 56 2HG PRO 56 -4.326 -13.630 -3.099 461 HG3 PRO 56 1HG PRO 56 -5.541 -12.830 -2.092 462 HD2 PRO 56 2HD PRO 56 -3.004 -11.845 -2.673 463 HD3 PRO 56 1HD PRO 56 -4.058 -11.279 -1.373 464 H GLY 57 H GLY 57 -0.657 -14.931 0.191 465 HA2 GLY 57 2HA GLY 57 -0.085 -17.212 -1.222 466 HA3 GLY 57 1HA GLY 57 0.216 -15.942 -2.408 467 H TRP 58 H TRP 58 1.334 -13.939 -0.868 468 HA TRP 58 HA TRP 58 4.025 -14.963 -0.417 469 HD1 TRP 58 HD1 TRP 58 5.988 -14.326 -0.135 470 HE1 TRP 58 HE1 TRP 58 7.965 -12.919 0.729 471 HE3 TRP 58 HE3 TRP 58 3.656 -9.826 0.514 472 HZ2 TRP 58 HZ2 TRP 58 8.493 -10.240 1.582 473 HZ3 TRP 58 HZ3 TRP 58 4.920 -7.867 1.351 474 HH2 TRP 58 HH2 TRP 58 7.333 -8.068 1.885 475 HB2 TRP 58 2HB TRP 58 3.439 -12.746 -1.412 476 HB3 TRP 58 1HB TRP 58 2.791 -12.246 0.142 477 H THR 59 H THR 59 1.662 -13.294 1.703 478 HA THR 59 HA THR 59 2.504 -14.961 3.988 479 HB THR 59 HB THR 59 4.160 -13.136 3.869 480 HG1 THR 59 HG1 THR 59 3.951 -13.362 5.937 481 HG21 THR 59 3HG2 THR 59 1.868 -11.607 3.102 482 HG22 THR 59 1HG2 THR 59 3.557 -11.103 3.136 483 HG23 THR 59 2HG2 THR 59 2.544 -10.889 4.563 484 H ALA 60 H ALA 60 1.316 -13.371 5.987 485 HA ALA 60 HA ALA 60 -1.552 -13.299 5.111 486 HB1 ALA 60 3HB ALA 60 -1.004 -15.161 6.604 487 HB2 ALA 60 1HB ALA 60 -1.999 -13.993 7.474 488 HB3 ALA 60 2HB ALA 60 -0.259 -14.050 7.755 489 H ILE 61 H ILE 61 -0.065 -10.962 4.792 490 HA ILE 61 HA ILE 61 -0.911 -9.268 7.122 491 HB ILE 61 HB ILE 61 1.349 -8.947 5.112 492 HG12 ILE 61 2HG1 ILE 61 1.303 -9.618 8.076 493 HG13 ILE 61 1HG1 ILE 61 1.830 -10.674 6.767 494 HG21 ILE 61 1HG2 ILE 61 0.778 -7.252 7.559 495 HG22 ILE 61 2HG2 ILE 61 0.244 -6.802 5.939 496 HG23 ILE 61 3HG2 ILE 61 1.966 -6.949 6.291 497 HD11 ILE 61 3HD1 ILE 61 3.859 -9.822 7.593 498 HD12 ILE 61 1HD1 ILE 61 3.182 -8.216 7.863 499 HD13 ILE 61 2HD1 ILE 61 3.523 -8.765 6.222 500 H ARG 62 H ARG 62 -2.047 -7.333 6.616 501 HA ARG 62 HA ARG 62 -2.662 -6.843 3.742 502 HE ARG 62 HE ARG 62 -6.228 -9.758 6.122 503 HB2 ARG 62 2HB ARG 62 -5.068 -6.376 4.714 504 HB3 ARG 62 1HB ARG 62 -4.575 -8.023 4.347 505 HG2 ARG 62 2HG ARG 62 -4.139 -8.509 6.647 506 HG3 ARG 62 1HG ARG 62 -4.205 -6.804 7.093 507 HD2 ARG 62 2HD ARG 62 -6.388 -7.155 7.620 508 HD3 ARG 62 1HD ARG 62 -6.689 -7.305 5.877 509 HH11 ARG 62 1HH2 ARG 62 -4.958 -9.763 8.809 510 HH12 ARG 62 2HH2 ARG 62 -6.253 -10.270 9.841 511 HH21 ARG 62 2HH1 ARG 62 -8.731 -9.599 7.496 512 HH22 ARG 62 1HH1 ARG 62 -8.399 -10.177 9.095 513 H GLY 63 H GLY 63 -3.571 -4.680 3.354 514 HA2 GLY 63 2HA GLY 63 -2.985 -2.709 5.516 515 HA3 GLY 63 1HA GLY 63 -2.300 -2.467 3.912 516 H GLU 64 H GLU 64 -4.565 -1.206 5.715 517 HA GLU 64 HA GLU 64 -6.532 -0.885 3.475 518 HB2 GLU 64 2HB GLU 64 -7.056 -0.832 6.461 519 HB3 GLU 64 1HB GLU 64 -8.262 -0.789 5.186 520 HG2 GLU 64 2HG GLU 64 -8.327 -3.043 5.737 521 HG3 GLU 64 1HG GLU 64 -7.128 -3.062 4.448 522 H ALA 65 H ALA 65 -7.604 1.258 3.485 523 HA ALA 65 HA ALA 65 -6.694 3.400 5.227 524 HB1 ALA 65 3HB ALA 65 -5.243 2.732 2.738 525 HB2 ALA 65 1HB ALA 65 -4.676 3.584 4.174 526 HB3 ALA 65 2HB ALA 65 -5.611 4.441 2.949 527 H SER 66 H SER 66 -7.792 5.395 4.783 528 HA SER 66 HA SER 66 -9.632 5.471 2.440 529 HG SER 66 HG SER 66 -10.157 4.190 5.702 530 HB2 SER 66 2HB SER 66 -10.685 6.175 5.158 531 HB3 SER 66 1HB SER 66 -11.560 5.600 3.747 532 H THR 67 H THR 67 -10.048 7.592 1.741 533 HA THR 67 HA THR 67 -9.628 9.953 3.357 534 HB THR 67 HB THR 67 -7.281 9.050 3.036 535 HG1 THR 67 HG1 THR 67 -7.476 11.209 3.426 536 HG21 THR 67 3HG2 THR 67 -7.339 10.054 0.227 537 HG22 THR 67 1HG2 THR 67 -7.988 8.443 0.532 538 HG23 THR 67 2HG2 THR 67 -6.319 8.815 0.958 539 H ARG 68 H ARG 68 -10.082 11.912 2.139 540 HA ARG 68 HA ARG 68 -12.040 11.700 0.100 541 HE ARG 68 HE ARG 68 -12.849 16.336 0.785 542 HB2 ARG 68 2HB ARG 68 -10.462 13.755 1.466 543 HB3 ARG 68 1HB ARG 68 -10.882 14.214 -0.183 544 HG2 ARG 68 2HG ARG 68 -13.042 12.985 1.464 545 HG3 ARG 68 1HG ARG 68 -12.551 14.626 1.885 546 HD2 ARG 68 2HD ARG 68 -12.979 14.054 -1.019 547 HD3 ARG 68 1HD ARG 68 -14.420 14.171 0.010 548 HH11 ARG 68 1HH2 ARG 68 -15.458 16.908 -0.387 549 HH12 ARG 68 2HH2 ARG 68 -15.073 17.694 -1.882 550 HH21 ARG 68 2HH1 ARG 68 -11.777 16.589 -1.917 551 HH22 ARG 68 1HH1 ARG 68 -12.983 17.513 -2.751 552 H SER 69 H SER 69 -8.508 12.122 -0.201 553 HA SER 69 HA SER 69 -8.417 12.732 -2.989 554 HG SER 69 HG SER 69 -5.665 12.921 -0.508 555 HB2 SER 69 2HB SER 69 -6.264 11.047 -1.844 556 HB3 SER 69 1HB SER 69 -6.153 12.603 -2.656 557 H GLN 70 H GLN 70 -8.585 11.439 -4.788 558 HA GLN 70 HA GLN 70 -9.653 8.761 -4.580 559 HB2 GLN 70 2HB GLN 70 -8.749 10.644 -6.737 560 HB3 GLN 70 1HB GLN 70 -9.041 8.957 -7.161 561 HG2 GLN 70 2HG GLN 70 -11.227 9.496 -7.332 562 HG3 GLN 70 1HG GLN 70 -11.232 9.636 -5.575 563 HE21 GLN 70 1HE2 GLN 70 -12.383 11.310 -8.068 564 HE22 GLN 70 2HE2 GLN 70 -12.088 12.904 -7.568 565 H SER 71 H SER 71 -6.581 9.879 -6.089 566 HA SER 71 HA SER 71 -5.427 7.212 -6.079 567 HG SER 71 HG SER 71 -3.465 7.575 -7.790 568 HB2 SER 71 2HB SER 71 -4.929 9.139 -7.660 569 HB3 SER 71 1HB SER 71 -4.052 9.904 -6.337 570 H GLY 72 H GLY 72 -5.397 9.964 -3.871 571 HA2 GLY 72 2HA GLY 72 -3.132 9.308 -2.290 572 HA3 GLY 72 1HA GLY 72 -4.542 10.188 -1.699 573 H VAL 73 H VAL 73 -6.499 8.123 -2.115 574 HA VAL 73 HA VAL 73 -6.174 6.602 0.299 575 HB VAL 73 HB VAL 73 -8.268 7.330 -1.188 576 HG11 VAL 73 1HG1 VAL 73 -7.913 4.443 -2.025 577 HG12 VAL 73 2HG1 VAL 73 -7.532 5.806 -3.075 578 HG13 VAL 73 3HG1 VAL 73 -9.187 5.558 -2.522 579 HG21 VAL 73 3HG2 VAL 73 -9.614 5.733 0.060 580 HG22 VAL 73 1HG2 VAL 73 -8.284 6.279 1.081 581 HG23 VAL 73 2HG2 VAL 73 -8.209 4.696 0.309 582 H ALA 74 H ALA 74 -5.557 5.842 -3.120 583 HA ALA 74 HA ALA 74 -5.081 3.025 -2.775 584 HB1 ALA 74 3HB ALA 74 -3.969 4.981 -4.816 585 HB2 ALA 74 1HB ALA 74 -5.555 4.216 -4.921 586 HB3 ALA 74 2HB ALA 74 -4.093 3.233 -5.014 587 H GLY 75 H GLY 75 -2.944 5.877 -2.660 588 HA2 GLY 75 2HA GLY 75 -0.510 4.371 -2.327 589 HA3 GLY 75 1HA GLY 75 -0.708 6.084 -1.961 590 H LYS 76 H LYS 76 -2.934 5.676 -0.115 591 HA LYS 76 HA LYS 76 -1.458 5.208 2.318 592 HB2 LYS 76 2HB LYS 76 -4.328 5.685 1.530 593 HB3 LYS 76 1HB LYS 76 -3.913 5.326 3.206 594 HG2 LYS 76 2HG LYS 76 -2.158 7.342 2.000 595 HG3 LYS 76 1HG LYS 76 -3.850 7.839 2.048 596 HD2 LYS 76 2HD LYS 76 -2.994 6.537 4.528 597 HD3 LYS 76 1HD LYS 76 -2.059 7.988 4.168 598 HE2 LYS 76 2HE LYS 76 -5.021 8.169 3.803 599 HE3 LYS 76 1HE LYS 76 -4.404 8.135 5.466 600 HZ1 LYS 76 3HZ LYS 76 -3.398 9.924 3.310 601 HZ2 LYS 76 1HZ LYS 76 -2.866 9.902 4.919 602 HZ3 LYS 76 2HZ LYS 76 -4.447 10.403 4.557 603 H THR 77 H THR 77 -3.894 3.286 0.509 604 HA THR 77 HA THR 77 -4.095 1.130 2.385 605 HB THR 77 HB THR 77 -4.405 1.252 -0.636 606 HG1 THR 77 HG1 THR 77 -6.371 1.327 1.403 607 HG21 THR 77 3HG2 THR 77 -5.858 -0.752 -0.336 608 HG22 THR 77 1HG2 THR 77 -5.350 -0.829 1.352 609 HG23 THR 77 2HG2 THR 77 -4.170 -1.066 0.064 610 H ALA 78 H ALA 78 -1.897 1.704 -0.356 611 HA ALA 78 HA ALA 78 -0.516 -0.838 -0.118 612 HB1 ALA 78 3HB ALA 78 -0.673 0.553 -2.180 613 HB2 ALA 78 1HB ALA 78 1.004 0.227 -1.742 614 HB3 ALA 78 2HB ALA 78 0.291 1.800 -1.388 615 H LYS 79 H LYS 79 0.011 2.455 1.110 616 HA LYS 79 HA LYS 79 2.626 1.998 2.232 617 HB2 LYS 79 2HB LYS 79 1.319 4.179 1.718 618 HB3 LYS 79 1HB LYS 79 0.531 3.915 3.272 619 HG2 LYS 79 2HG LYS 79 3.490 3.688 3.273 620 HG3 LYS 79 1HG LYS 79 2.844 5.306 2.996 621 HD2 LYS 79 2HD LYS 79 1.261 4.474 5.056 622 HD3 LYS 79 1HD LYS 79 2.764 3.636 5.437 623 HE2 LYS 79 2HE LYS 79 3.596 6.208 4.697 624 HE3 LYS 79 1HE LYS 79 2.143 6.477 5.678 625 HZ1 LYS 79 3HZ LYS 79 4.339 4.626 6.447 626 HZ2 LYS 79 1HZ LYS 79 3.016 5.096 7.402 627 HZ3 LYS 79 2HZ LYS 79 4.221 6.227 7.004 628 H ASP 80 H ASP 80 -0.683 1.666 3.512 629 HA ASP 80 HA ASP 80 0.015 1.108 6.235 630 HB2 ASP 80 2HB ASP 80 -2.307 0.765 4.399 631 HB3 ASP 80 1HB ASP 80 -2.313 -0.233 5.852 632 H PHE 81 H PHE 81 -0.444 -1.040 3.409 633 HA PHE 81 HA PHE 81 -0.069 -3.512 4.839 634 HD1 PHE 81 HD2 PHE 81 -0.534 -5.842 3.724 635 HD2 PHE 81 HD1 PHE 81 2.016 -3.809 0.928 636 HE1 PHE 81 HE2 PHE 81 0.590 -7.987 3.188 637 HE2 PHE 81 HE1 PHE 81 3.139 -5.953 0.392 638 HZ PHE 81 HZ PHE 81 2.426 -8.042 1.522 639 HB2 PHE 81 2HB PHE 81 -1.085 -3.511 2.665 640 HB3 PHE 81 1HB PHE 81 0.271 -2.631 1.958 641 H VAL 82 H VAL 82 2.201 -1.342 3.132 642 HA VAL 82 HA VAL 82 4.524 -3.011 3.442 643 HB VAL 82 HB VAL 82 4.175 -0.008 3.120 644 HG11 VAL 82 1HG1 VAL 82 6.556 -0.427 2.026 645 HG12 VAL 82 2HG1 VAL 82 6.587 -1.790 3.144 646 HG13 VAL 82 3HG1 VAL 82 6.404 -0.149 3.761 647 HG21 VAL 82 3HG2 VAL 82 3.999 -0.375 0.865 648 HG22 VAL 82 1HG2 VAL 82 3.426 -1.961 1.379 649 HG23 VAL 82 2HG2 VAL 82 5.109 -1.745 0.899 650 H ARG 83 H ARG 83 3.044 -0.511 5.499 651 HA ARG 83 HA ARG 83 5.186 -0.335 7.423 652 HE ARG 83 HE ARG 83 3.938 2.646 11.241 653 HB2 ARG 83 2HB ARG 83 3.144 1.194 6.969 654 HB3 ARG 83 1HB ARG 83 2.234 0.054 7.959 655 HG2 ARG 83 2HG ARG 83 4.200 0.390 9.669 656 HG3 ARG 83 1HG ARG 83 4.484 1.877 8.763 657 HD2 ARG 83 2HD ARG 83 2.318 2.736 9.285 658 HD3 ARG 83 1HD ARG 83 1.744 1.151 9.846 659 HH11 ARG 83 2HH1 ARG 83 3.077 -0.289 11.800 660 HH12 ARG 83 1HH1 ARG 83 2.142 -0.063 13.240 661 HH21 ARG 83 1HH2 ARG 83 1.878 3.379 12.836 662 HH22 ARG 83 2HH2 ARG 83 1.459 2.022 13.828 663 H LYS 84 H LYS 84 2.246 -2.357 7.228 664 HA LYS 84 HA LYS 84 2.598 -3.645 9.790 665 HB2 LYS 84 2HB LYS 84 0.600 -3.457 8.030 666 HB3 LYS 84 1HB LYS 84 1.272 -4.985 7.460 667 HG2 LYS 84 2HG LYS 84 0.107 -5.993 9.107 668 HG3 LYS 84 1HG LYS 84 1.232 -5.250 10.244 669 HD2 LYS 84 2HD LYS 84 -1.122 -3.682 9.215 670 HD3 LYS 84 1HD LYS 84 -1.335 -4.826 10.540 671 HE2 LYS 84 2HE LYS 84 0.984 -3.373 11.213 672 HE3 LYS 84 1HE LYS 84 -0.170 -2.166 10.613 673 HZ1 LYS 84 3HZ LYS 84 -0.619 -4.203 12.727 674 HZ2 LYS 84 1HZ LYS 84 -1.882 -3.327 12.008 675 HZ3 LYS 84 2HZ LYS 84 -0.678 -2.513 12.888 676 H ALA 85 H ALA 85 3.687 -4.402 6.488 677 HA ALA 85 HA ALA 85 4.761 -7.012 7.093 678 HB1 ALA 85 3HB ALA 85 5.462 -4.986 4.943 679 HB2 ALA 85 1HB ALA 85 4.167 -6.177 4.834 680 HB3 ALA 85 2HB ALA 85 5.848 -6.705 4.892 681 H PHE 86 H PHE 86 6.098 -3.716 7.184 682 HA PHE 86 HA PHE 86 8.848 -4.511 7.644 683 HD1 PHE 86 HD2 PHE 86 10.681 -2.921 8.740 684 HD2 PHE 86 HD1 PHE 86 8.516 -1.391 5.358 685 HE1 PHE 86 HE2 PHE 86 12.822 -2.437 7.587 686 HE2 PHE 86 HE1 PHE 86 10.659 -0.907 4.206 687 HZ PHE 86 HZ PHE 86 12.812 -1.429 5.321 688 HB2 PHE 86 2HB PHE 86 7.331 -2.154 7.208 689 HB3 PHE 86 1HB PHE 86 8.125 -1.934 8.764 690 H GLN 87 H GLN 87 6.075 -3.758 9.744 691 HA GLN 87 HA GLN 87 7.441 -3.689 12.260 692 HB2 GLN 87 2HB GLN 87 4.933 -3.225 11.356 693 HB3 GLN 87 1HB GLN 87 4.692 -4.821 12.064 694 HG2 GLN 87 2HG GLN 87 5.832 -3.927 14.161 695 HG3 GLN 87 1HG GLN 87 5.701 -2.322 13.442 696 HE21 GLN 87 1HE2 GLN 87 3.154 -2.392 12.268 697 HE22 GLN 87 2HE2 GLN 87 1.976 -2.641 13.465 698 H LYS 88 H LYS 88 6.324 -6.369 10.247 699 HA LYS 88 HA LYS 88 6.838 -8.356 12.381 700 HB2 LYS 88 2HB LYS 88 5.319 -8.122 9.896 701 HB3 LYS 88 1HB LYS 88 6.211 -9.642 9.977 702 HG2 LYS 88 2HG LYS 88 3.972 -9.878 10.988 703 HG3 LYS 88 1HG LYS 88 5.237 -10.105 12.194 704 HD2 LYS 88 2HD LYS 88 4.519 -7.302 12.000 705 HD3 LYS 88 1HD LYS 88 3.090 -8.284 12.317 706 HE2 LYS 88 2HE LYS 88 4.587 -9.456 14.122 707 HE3 LYS 88 1HE LYS 88 5.582 -7.993 13.990 708 HZ1 LYS 88 3HZ LYS 88 3.695 -7.889 15.645 709 HZ2 LYS 88 1HZ LYS 88 2.634 -7.892 14.322 710 HZ3 LYS 88 2HZ LYS 88 3.753 -6.626 14.511 711 H GLY 89 H GLY 89 7.915 -7.852 8.983 712 HA2 GLY 89 2HA GLY 89 10.521 -7.803 8.897 713 HA3 GLY 89 1HA GLY 89 10.366 -9.400 9.622 714 H LEU 90 H LEU 90 8.748 -7.696 6.909 715 HA LEU 90 HA LEU 90 9.344 -10.094 5.215 716 HG LEU 90 HG LEU 90 7.137 -10.784 6.690 717 HB2 LEU 90 2HB LEU 90 6.853 -8.539 5.752 718 HB3 LEU 90 1HB LEU 90 7.076 -9.171 4.122 719 HD11 LEU 90 1HD1 LEU 90 4.934 -9.896 5.433 720 HD12 LEU 90 2HD1 LEU 90 5.008 -11.490 6.184 721 HD13 LEU 90 3HD1 LEU 90 5.254 -11.320 4.446 722 HD21 LEU 90 3HD2 LEU 90 7.753 -11.463 3.816 723 HD22 LEU 90 1HD2 LEU 90 7.141 -12.697 4.917 724 HD23 LEU 90 2HD2 LEU 90 8.665 -11.881 5.266 725 H ILE 91 H ILE 91 8.562 -6.590 5.117 726 HA ILE 91 HA ILE 91 9.831 -6.399 2.440 727 HB ILE 91 HB ILE 91 8.214 -4.492 4.164 728 HG12 ILE 91 2HG1 ILE 91 7.549 -5.873 1.542 729 HG13 ILE 91 1HG1 ILE 91 7.015 -6.440 3.124 730 HG21 ILE 91 1HG2 ILE 91 9.653 -3.104 2.858 731 HG22 ILE 91 2HG2 ILE 91 8.127 -3.156 1.974 732 HG23 ILE 91 3HG2 ILE 91 9.489 -4.142 1.441 733 HD11 ILE 91 3HD1 ILE 91 5.185 -5.152 2.599 734 HD12 ILE 91 1HD1 ILE 91 6.111 -4.076 1.553 735 HD13 ILE 91 2HD1 ILE 91 6.192 -3.888 3.305 736 H SER 92 H SER 92 12.024 -6.113 2.531 737 HA SER 92 HA SER 92 13.277 -4.731 4.830 738 HG SER 92 HG SER 92 14.787 -7.776 3.821 739 HB2 SER 92 2HB SER 92 14.437 -6.046 2.354 740 HB3 SER 92 1HB SER 92 15.349 -5.548 3.776 741 H GLN 93 H GLN 93 14.892 -3.001 4.386 742 HA GLN 93 HA GLN 93 13.843 -0.855 2.809 743 HB2 GLN 93 2HB GLN 93 15.401 -0.842 4.851 744 HB3 GLN 93 1HB GLN 93 16.708 -1.207 3.725 745 HG2 GLN 93 2HG GLN 93 15.368 0.903 2.502 746 HG3 GLN 93 1HG GLN 93 15.338 1.328 4.213 747 HE21 GLN 93 1HE2 GLN 93 17.360 1.163 1.400 748 HE22 GLN 93 2HE2 GLN 93 18.818 1.574 2.166 749 H GLN 94 H GLN 94 16.771 -2.863 2.264 750 HA GLN 94 HA GLN 94 17.423 -1.811 -0.309 751 HB2 GLN 94 2HB GLN 94 18.076 -4.160 1.384 752 HB3 GLN 94 1HB GLN 94 18.394 -4.359 -0.339 753 HG2 GLN 94 2HG GLN 94 20.393 -3.393 0.317 754 HG3 GLN 94 1HG GLN 94 19.471 -1.942 -0.070 755 HE21 GLN 94 1HE2 GLN 94 20.077 -0.429 1.516 756 HE22 GLN 94 2HE2 GLN 94 20.071 -0.735 3.185 757 H GLU 95 H GLU 95 15.426 -4.645 0.599 758 HA GLU 95 HA GLU 95 14.911 -5.623 -2.027 759 HB2 GLU 95 2HB GLU 95 13.434 -5.654 0.607 760 HB3 GLU 95 1HB GLU 95 12.775 -6.469 -0.810 761 HG2 GLU 95 2HG GLU 95 15.596 -6.964 0.166 762 HG3 GLU 95 1HG GLU 95 14.221 -7.903 0.751 763 H ALA 96 H ALA 96 13.190 -3.158 -0.093 764 HA ALA 96 HA ALA 96 11.052 -2.680 -1.940 765 HB1 ALA 96 3HB ALA 96 10.852 -1.862 0.281 766 HB2 ALA 96 1HB ALA 96 11.100 -0.406 -0.682 767 HB3 ALA 96 2HB ALA 96 12.441 -1.099 0.229 768 H ASN 97 H ASN 97 14.304 -1.245 -1.628 769 HA ASN 97 HA ASN 97 14.019 0.759 -3.664 770 HB2 ASN 97 2HB ASN 97 16.361 -0.763 -2.483 771 HB3 ASN 97 1HB ASN 97 16.575 0.548 -3.642 772 HD21 ASN 97 1HD2 ASN 97 14.820 2.500 -2.863 773 HD22 ASN 97 2HD2 ASN 97 15.090 2.964 -1.252 774 H GLN 98 H GLN 98 15.099 -2.642 -3.775 775 HA GLN 98 HA GLN 98 15.889 -2.692 -6.531 776 HB2 GLN 98 2HB GLN 98 15.199 -4.594 -4.357 777 HB3 GLN 98 1HB GLN 98 15.032 -5.232 -5.992 778 HG2 GLN 98 2HG GLN 98 17.520 -3.780 -5.063 779 HG3 GLN 98 1HG GLN 98 17.328 -5.527 -4.913 780 HE21 GLN 98 1HE2 GLN 98 18.136 -2.973 -7.116 781 HE22 GLN 98 2HE2 GLN 98 18.261 -3.931 -8.512 782 H TRP 99 H TRP 99 12.756 -3.298 -4.932 783 HA TRP 99 HA TRP 99 11.326 -4.064 -7.323 784 HD1 TRP 99 HD1 TRP 99 9.502 -5.651 -7.270 785 HE1 TRP 99 HE1 TRP 99 6.988 -5.558 -7.836 786 HE3 TRP 99 HE3 TRP 99 8.114 -1.619 -4.459 787 HZ2 TRP 99 HZ2 TRP 99 4.694 -3.981 -7.180 788 HZ3 TRP 99 HZ3 TRP 99 5.764 -0.849 -4.445 789 HH2 TRP 99 HH2 TRP 99 4.052 -2.021 -5.804 790 HB2 TRP 99 2HB TRP 99 10.721 -4.463 -4.889 791 HB3 TRP 99 1HB TRP 99 10.273 -2.762 -4.794 792 H LEU 100 H LEU 100 11.914 -0.972 -5.687 793 HA LEU 100 HA LEU 100 10.124 0.639 -7.265 794 HG LEU 100 HG LEU 100 10.076 0.654 -4.773 795 HB2 LEU 100 2HB LEU 100 12.552 1.124 -5.537 796 HB3 LEU 100 1HB LEU 100 11.820 2.454 -6.430 797 HD11 LEU 100 1HD1 LEU 100 11.995 1.426 -3.342 798 HD12 LEU 100 2HD1 LEU 100 10.429 2.045 -2.820 799 HD13 LEU 100 3HD1 LEU 100 11.537 3.088 -3.711 800 HD21 LEU 100 3HD2 LEU 100 9.648 3.563 -4.838 801 HD22 LEU 100 1HD2 LEU 100 8.516 2.254 -5.176 802 HD23 LEU 100 2HD2 LEU 100 9.615 2.817 -6.435 803 H SER 101 H SER 101 13.457 -0.459 -7.773 804 HA SER 101 HA SER 101 14.324 1.315 -9.794 805 HG SER 101 HG SER 101 16.842 -0.022 -8.853 806 HB2 SER 101 2HB SER 101 14.782 -1.649 -9.353 807 HB3 SER 101 1HB SER 101 15.717 -0.684 -10.490 808 H SER 102 HN SER 102 12.341 -1.648 -10.111 809 HA SER 102 HA SER 102 11.252 -0.644 -12.665 810 HG SER 102 HG SER 102 12.328 -1.233 -14.549 811 HB2 SER 102 2HB SER 102 13.283 -2.776 -12.373 812 HB3 SER 102 1HB SER 102 11.923 -3.193 -13.410 Start of MODEL 11 1 HA GLU 1 HA GLU 1 17.512 12.477 18.054 2 H1 GLU 1 1H GLU 1 19.166 13.836 19.185 3 H2 GLU 1 2H GLU 1 20.203 13.742 17.842 4 H3 GLU 1 3H GLU 1 19.844 12.347 18.742 5 HB2 GLU 1 2HB GLU 1 18.448 15.118 17.445 6 HB3 GLU 1 1HB GLU 1 17.836 14.397 15.955 7 HG2 GLU 1 2HG GLU 1 15.743 13.771 17.155 8 HG3 GLU 1 1HG GLU 1 16.349 14.597 18.591 9 H ALA 2 H ALA 2 20.049 13.469 15.693 10 HA ALA 2 HA ALA 2 20.882 12.372 13.781 11 HB1 ALA 2 3HB ALA 2 21.202 10.724 15.803 12 HB2 ALA 2 1HB ALA 2 21.417 10.114 14.162 13 HB3 ALA 2 2HB ALA 2 19.912 9.805 15.027 14 H TYR 3 H TYR 3 19.837 9.938 12.576 15 HA TYR 3 HA TYR 3 17.678 11.018 11.001 16 HD1 TYR 3 HD1 TYR 3 17.753 9.983 8.291 17 HD2 TYR 3 HD2 TYR 3 21.151 9.292 10.826 18 HE1 TYR 3 HE1 TYR 3 19.248 10.893 6.535 19 HE2 TYR 3 HE2 TYR 3 22.646 10.202 9.070 20 HH TYR 3 HH TYR 3 21.918 12.066 6.823 21 HB2 TYR 3 2HB TYR 3 18.994 8.324 11.356 22 HB3 TYR 3 1HB TYR 3 17.614 8.513 10.276 23 H VAL 4 H VAL 4 15.452 10.689 11.175 24 HA VAL 4 HA VAL 4 14.502 9.165 13.584 25 HB VAL 4 HB VAL 4 13.375 11.602 12.157 26 HG11 VAL 4 1HG1 VAL 4 12.416 10.073 14.595 27 HG12 VAL 4 2HG1 VAL 4 11.550 10.291 13.074 28 HG13 VAL 4 3HG1 VAL 4 11.824 11.670 14.139 29 HG21 VAL 4 3HG2 VAL 4 14.795 11.220 14.811 30 HG22 VAL 4 1HG2 VAL 4 13.927 12.692 14.375 31 HG23 VAL 4 2HG2 VAL 4 15.337 12.191 13.442 32 H GLN 5 H GLN 5 13.462 10.187 10.289 33 HA GLN 5 HA GLN 5 11.397 8.107 10.176 34 HB2 GLN 5 2HB GLN 5 11.589 10.515 9.093 35 HB3 GLN 5 1HB GLN 5 12.432 9.647 7.810 36 HG2 GLN 5 2HG GLN 5 10.124 9.683 7.177 37 HG3 GLN 5 1HG GLN 5 10.442 8.050 7.759 38 HE21 GLN 5 1HE2 GLN 5 8.827 11.113 8.571 39 HE22 GLN 5 2HE2 GLN 5 7.918 10.485 9.859 40 H GLY 6 H GLY 6 11.420 6.338 8.618 41 HA2 GLY 6 2HA GLY 6 13.874 5.697 7.172 42 HA3 GLY 6 1HA GLY 6 13.587 4.647 8.560 43 H TRP 7 H TRP 7 11.567 3.394 8.573 44 HA TRP 7 HA TRP 7 10.971 2.191 6.035 45 HD1 TRP 7 HD1 TRP 7 8.255 3.768 8.703 46 HE1 TRP 7 HE1 TRP 7 8.276 4.149 11.249 47 HE3 TRP 7 HE3 TRP 7 11.453 0.056 10.109 48 HZ2 TRP 7 HZ2 TRP 7 9.488 3.015 13.585 49 HZ3 TRP 7 HZ3 TRP 7 12.023 -0.279 12.499 50 HH2 TRP 7 HH2 TRP 7 11.043 1.194 14.238 51 HB2 TRP 7 2HB TRP 7 9.027 1.176 7.423 52 HB3 TRP 7 1HB TRP 7 10.672 0.818 7.926 53 H GLU 8 H GLU 8 9.616 4.973 7.645 54 HA GLU 8 HA GLU 8 7.040 5.002 6.356 55 HB2 GLU 8 2HB GLU 8 8.644 6.616 8.127 56 HB3 GLU 8 1HB GLU 8 7.980 7.646 6.861 57 HG2 GLU 8 2HG GLU 8 6.295 7.653 8.505 58 HG3 GLU 8 1HG GLU 8 5.734 6.442 7.353 59 H ALA 9 H ALA 9 10.224 6.344 5.509 60 HA ALA 9 HA ALA 9 9.325 7.679 3.095 61 HB1 ALA 9 3HB ALA 9 11.749 7.899 2.707 62 HB2 ALA 9 1HB ALA 9 12.067 6.679 3.941 63 HB3 ALA 9 2HB ALA 9 11.380 8.239 4.397 64 H VAL 10 H VAL 10 10.748 4.502 3.829 65 HA VAL 10 HA VAL 10 10.970 3.624 1.088 66 HB VAL 10 HB VAL 10 10.733 2.137 3.731 67 HG11 VAL 10 1HG1 VAL 10 10.303 0.439 2.209 68 HG12 VAL 10 2HG1 VAL 10 12.066 0.411 2.214 69 HG13 VAL 10 3HG1 VAL 10 11.201 1.230 0.913 70 HG21 VAL 10 3HG2 VAL 10 13.276 1.863 3.186 71 HG22 VAL 10 1HG2 VAL 10 12.716 3.398 3.849 72 HG23 VAL 10 2HG2 VAL 10 13.028 3.245 2.120 73 H ALA 11 H ALA 11 8.457 3.364 3.596 74 HA ALA 11 HA ALA 11 6.657 1.656 2.164 75 HB1 ALA 11 3HB ALA 11 6.299 3.771 4.309 76 HB2 ALA 11 1HB ALA 11 6.456 2.030 4.548 77 HB3 ALA 11 2HB ALA 11 5.005 2.691 3.794 78 H ALA 12 H ALA 12 7.040 5.202 2.285 79 HA ALA 12 HA ALA 12 4.750 5.888 0.718 80 HB1 ALA 12 3HB ALA 12 5.991 8.019 0.426 81 HB2 ALA 12 1HB ALA 12 7.460 7.233 1.005 82 HB3 ALA 12 2HB ALA 12 6.090 7.452 2.093 83 H ALA 13 H ALA 13 8.120 5.133 -0.203 84 HA ALA 13 HA ALA 13 7.792 5.615 -3.023 85 HB1 ALA 13 3HB ALA 13 9.921 5.392 -1.604 86 HB2 ALA 13 1HB ALA 13 9.949 4.578 -3.167 87 HB3 ALA 13 2HB ALA 13 9.674 3.649 -1.694 88 H VAL 14 H VAL 14 7.431 2.695 -0.997 89 HA VAL 14 HA VAL 14 6.923 0.860 -3.149 90 HB VAL 14 HB VAL 14 6.053 0.881 -0.234 91 HG11 VAL 14 1HG1 VAL 14 5.847 -1.167 -2.421 92 HG12 VAL 14 2HG1 VAL 14 4.689 -0.772 -1.152 93 HG13 VAL 14 3HG1 VAL 14 6.134 -1.707 -0.767 94 HG21 VAL 14 3HG2 VAL 14 8.170 -0.966 -1.087 95 HG22 VAL 14 1HG2 VAL 14 8.137 0.145 0.282 96 HG23 VAL 14 2HG2 VAL 14 8.609 0.727 -1.314 97 H ALA 15 H ALA 15 4.795 2.907 -1.141 98 HA ALA 15 HA ALA 15 2.288 1.998 -2.171 99 HB1 ALA 15 3HB ALA 15 2.128 3.305 -0.253 100 HB2 ALA 15 1HB ALA 15 1.749 4.518 -1.476 101 HB3 ALA 15 2HB ALA 15 3.374 4.429 -0.798 102 H SER 16 H SER 16 4.526 4.553 -3.268 103 HA SER 16 HA SER 16 2.911 5.647 -5.353 104 HG SER 16 HG SER 16 5.737 7.388 -6.342 105 HB2 SER 16 2HB SER 16 5.167 6.392 -4.264 106 HB3 SER 16 1HB SER 16 5.913 5.349 -5.472 107 H LYS 17 H LYS 17 5.253 2.943 -5.342 108 HA LYS 17 HA LYS 17 5.055 2.368 -8.163 109 HB2 LYS 17 2HB LYS 17 6.900 1.681 -6.625 110 HB3 LYS 17 1HB LYS 17 5.790 0.566 -5.830 111 HG2 LYS 17 2HG LYS 17 5.937 -0.953 -7.505 112 HG3 LYS 17 1HG LYS 17 5.821 0.285 -8.754 113 HD2 LYS 17 2HD LYS 17 8.267 0.883 -7.985 114 HD3 LYS 17 1HD LYS 17 8.260 -0.760 -7.346 115 HE2 LYS 17 2HE LYS 17 7.539 -0.069 -10.219 116 HE3 LYS 17 1HE LYS 17 9.140 -0.633 -9.703 117 HZ1 LYS 17 3HZ LYS 17 7.903 -2.520 -8.583 118 HZ2 LYS 17 1HZ LYS 17 7.966 -2.572 -10.276 119 HZ3 LYS 17 2HZ LYS 17 6.548 -2.058 -9.498 120 H ILE 18 H ILE 18 3.163 1.380 -5.337 121 HA ILE 18 HA ILE 18 1.748 -0.805 -6.569 122 HB ILE 18 HB ILE 18 1.253 1.052 -4.229 123 HG12 ILE 18 2HG1 ILE 18 3.085 -0.710 -4.175 124 HG13 ILE 18 1HG1 ILE 18 1.882 -0.847 -2.895 125 HG21 ILE 18 1HG2 ILE 18 -0.531 -0.667 -3.583 126 HG22 ILE 18 2HG2 ILE 18 -0.468 -1.213 -5.259 127 HG23 ILE 18 3HG2 ILE 18 -0.958 0.440 -4.887 128 HD11 ILE 18 3HD1 ILE 18 0.700 -2.591 -4.151 129 HD12 ILE 18 1HD1 ILE 18 2.388 -3.048 -3.930 130 HD13 ILE 18 2HD1 ILE 18 1.840 -2.426 -5.485 131 H VAL 19 H VAL 19 0.979 2.671 -6.166 132 HA VAL 19 HA VAL 19 -1.603 2.600 -7.406 133 HB VAL 19 HB VAL 19 0.516 4.726 -6.991 134 HG11 VAL 19 1HG1 VAL 19 -2.025 4.846 -8.527 135 HG12 VAL 19 2HG1 VAL 19 -0.575 5.841 -8.668 136 HG13 VAL 19 3HG1 VAL 19 -1.747 6.165 -7.391 137 HG21 VAL 19 3HG2 VAL 19 -0.885 5.438 -5.181 138 HG22 VAL 19 1HG2 VAL 19 -0.781 3.682 -5.046 139 HG23 VAL 19 2HG2 VAL 19 -2.225 4.431 -5.731 140 H GLY 20 H GLY 20 1.665 3.111 -8.747 141 HA2 GLY 20 2HA GLY 20 0.743 3.679 -11.436 142 HA3 GLY 20 1HA GLY 20 2.396 3.282 -10.977 143 H LEU 21 H LEU 21 1.474 0.709 -9.676 144 HA LEU 21 HA LEU 21 1.121 -0.857 -12.204 145 HG LEU 21 HG LEU 21 1.877 -3.023 -12.127 146 HB2 LEU 21 2HB LEU 21 3.221 -0.864 -10.584 147 HB3 LEU 21 1HB LEU 21 2.222 -1.981 -9.655 148 HD11 LEU 21 1HD1 LEU 21 3.981 -2.966 -13.351 149 HD12 LEU 21 2HD1 LEU 21 4.721 -1.966 -12.101 150 HD13 LEU 21 3HD1 LEU 21 3.423 -1.313 -13.102 151 HD21 LEU 21 3HD2 LEU 21 3.861 -4.544 -11.493 152 HD22 LEU 21 1HD2 LEU 21 2.554 -4.409 -10.317 153 HD23 LEU 21 2HD2 LEU 21 4.050 -3.506 -10.080 154 H TRP 22 H TRP 22 -1.095 0.191 -10.376 155 HA TRP 22 HA TRP 22 -2.141 -2.320 -9.190 156 HD1 TRP 22 HD1 TRP 22 -4.065 -2.843 -7.804 157 HE1 TRP 22 HE1 TRP 22 -6.570 -2.690 -7.228 158 HE3 TRP 22 HE3 TRP 22 -4.896 2.100 -8.783 159 HZ2 TRP 22 HZ2 TRP 22 -8.653 -0.732 -7.186 160 HZ3 TRP 22 HZ3 TRP 22 -7.148 3.082 -8.465 161 HH2 TRP 22 HH2 TRP 22 -9.026 1.673 -7.667 162 HB2 TRP 22 2HB TRP 22 -2.265 -0.352 -7.818 163 HB3 TRP 22 1HB TRP 22 -2.924 0.609 -9.137 164 H ARG 23 H ARG 23 -3.740 -3.494 -10.178 165 HA ARG 23 HA ARG 23 -4.868 -2.508 -12.757 166 HE ARG 23 HE ARG 23 -4.785 -5.393 -16.217 167 HB2 ARG 23 2HB ARG 23 -3.688 -4.834 -12.074 168 HB3 ARG 23 1HB ARG 23 -5.348 -5.250 -11.659 169 HG2 ARG 23 2HG ARG 23 -6.103 -4.948 -13.875 170 HG3 ARG 23 1HG ARG 23 -4.694 -3.982 -14.317 171 HD2 ARG 23 2HD ARG 23 -3.370 -6.203 -13.728 172 HD3 ARG 23 1HD ARG 23 -4.939 -6.965 -14.059 173 HH11 ARG 23 2HH1 ARG 23 -1.916 -4.784 -15.885 174 HH12 ARG 23 1HH1 ARG 23 -1.139 -6.064 -16.755 175 HH21 ARG 23 1HH2 ARG 23 -3.963 -8.093 -16.812 176 HH22 ARG 23 2HH2 ARG 23 -2.304 -7.943 -17.288 177 H ASN 24 H ASN 24 -7.281 -3.911 -12.804 178 HA ASN 24 HA ASN 24 -9.161 -2.284 -11.536 179 HB2 ASN 24 2HB ASN 24 -9.050 -5.022 -12.669 180 HB3 ASN 24 1HB ASN 24 -10.411 -4.718 -11.590 181 HD21 ASN 24 1HD2 ASN 24 -11.517 -2.431 -12.092 182 HD22 ASN 24 2HD2 ASN 24 -11.756 -2.099 -13.739 183 H GLU 25 H GLU 25 -7.674 -5.263 -10.254 184 HA GLU 25 HA GLU 25 -8.065 -4.370 -7.492 185 HB2 GLU 25 2HB GLU 25 -9.542 -6.271 -6.904 186 HB3 GLU 25 1HB GLU 25 -10.292 -5.246 -8.126 187 HG2 GLU 25 2HG GLU 25 -8.838 -7.073 -9.637 188 HG3 GLU 25 1HG GLU 25 -9.462 -8.050 -8.309 189 H LYS 26 H LYS 26 -5.771 -5.138 -9.131 190 HA LYS 26 HA LYS 26 -4.738 -7.364 -7.446 191 HB2 LYS 26 2HB LYS 26 -5.749 -8.178 -9.628 192 HB3 LYS 26 1HB LYS 26 -4.476 -7.281 -10.458 193 HG2 LYS 26 2HG LYS 26 -2.778 -8.664 -9.638 194 HG3 LYS 26 1HG LYS 26 -3.748 -9.206 -8.268 195 HD2 LYS 26 2HD LYS 26 -5.263 -10.385 -9.895 196 HD3 LYS 26 1HD LYS 26 -4.117 -9.975 -11.173 197 HE2 LYS 26 2HE LYS 26 -2.320 -11.168 -9.905 198 HE3 LYS 26 1HE LYS 26 -3.538 -11.664 -8.712 199 HZ1 LYS 26 3HZ LYS 26 -3.322 -13.362 -10.404 200 HZ2 LYS 26 1HZ LYS 26 -3.606 -12.229 -11.633 201 HZ3 LYS 26 2HZ LYS 26 -4.845 -12.622 -10.540 202 H THR 27 H THR 27 -2.378 -7.482 -7.457 203 HA THR 27 HA THR 27 -0.784 -5.450 -8.835 204 HB THR 27 HB THR 27 -1.838 -4.136 -7.040 205 HG1 THR 27 HG1 THR 27 0.720 -4.539 -6.023 206 HG21 THR 27 3HG2 THR 27 -0.617 -6.205 -5.191 207 HG22 THR 27 1HG2 THR 27 -2.338 -5.957 -5.478 208 HG23 THR 27 2HG2 THR 27 -1.391 -4.712 -4.666 209 H GLU 28 H GLU 28 1.526 -5.882 -8.511 210 HA GLU 28 HA GLU 28 2.056 -8.580 -7.309 211 HB2 GLU 28 2HB GLU 28 3.388 -6.984 -9.520 212 HB3 GLU 28 1HB GLU 28 4.006 -8.521 -8.917 213 HG2 GLU 28 2HG GLU 28 2.574 -9.633 -10.247 214 HG3 GLU 28 1HG GLU 28 1.212 -8.837 -9.459 215 H LEU 29 H LEU 29 2.942 -8.298 -5.269 216 HA LEU 29 HA LEU 29 4.838 -6.022 -4.848 217 HG LEU 29 HG LEU 29 2.849 -5.091 -4.205 218 HB2 LEU 29 2HB LEU 29 2.891 -7.568 -3.200 219 HB3 LEU 29 1HB LEU 29 4.319 -6.942 -2.377 220 HD11 LEU 29 1HD1 LEU 29 1.278 -4.493 -2.398 221 HD12 LEU 29 2HD1 LEU 29 1.911 -5.809 -1.409 222 HD13 LEU 29 3HD1 LEU 29 1.046 -6.166 -2.904 223 HD21 LEU 29 3HD2 LEU 29 4.890 -4.335 -3.106 224 HD22 LEU 29 1HD2 LEU 29 4.269 -4.835 -1.533 225 HD23 LEU 29 2HD2 LEU 29 3.517 -3.491 -2.390 226 H LEU 30 H LEU 30 6.987 -6.496 -4.597 227 HA LEU 30 HA LEU 30 8.978 -7.732 -4.359 228 HG LEU 30 HG LEU 30 10.099 -9.271 -2.649 229 HB2 LEU 30 2HB LEU 30 7.360 -8.054 -2.169 230 HB3 LEU 30 1HB LEU 30 7.658 -9.728 -2.626 231 HD11 LEU 30 1HD1 LEU 30 9.154 -6.550 -2.512 232 HD12 LEU 30 2HD1 LEU 30 10.799 -7.134 -2.767 233 HD13 LEU 30 3HD1 LEU 30 10.199 -6.878 -1.130 234 HD21 LEU 30 3HD2 LEU 30 8.622 -9.894 -0.540 235 HD22 LEU 30 1HD2 LEU 30 9.111 -8.291 0.008 236 HD23 LEU 30 2HD2 LEU 30 10.332 -9.512 -0.348 237 H GLY 31 H GLY 31 7.218 -8.524 -6.584 238 HA2 GLY 31 2HA GLY 31 7.251 -10.206 -8.227 239 HA3 GLY 31 1HA GLY 31 8.460 -11.049 -7.259 240 H HIS 32 H HIS 32 5.428 -10.179 -5.755 241 HA HIS 32 HA HIS 32 4.554 -13.040 -5.899 242 HD1 HIS 32 HD1 HIS 32 5.959 -14.299 -4.808 243 HD2 HIS 32 HD2 HIS 32 6.662 -11.241 -2.061 244 HE1 HIS 32 HE1 HIS 32 8.210 -14.784 -3.755 245 HB2 HIS 32 2HB HIS 32 4.415 -11.001 -3.655 246 HB3 HIS 32 1HB HIS 32 3.720 -12.613 -3.580 247 H GLU 33 H GLU 33 2.243 -13.351 -6.001 248 HA GLU 33 HA GLU 33 0.794 -11.185 -7.330 249 HB2 GLU 33 2HB GLU 33 0.570 -14.069 -6.856 250 HB3 GLU 33 1HB GLU 33 -0.988 -13.248 -6.764 251 HG2 GLU 33 2HG GLU 33 -0.989 -13.401 -9.028 252 HG3 GLU 33 1HG GLU 33 0.154 -12.059 -8.971 253 H CYS 34 H CYS 34 -0.470 -9.710 -6.335 254 HA CYS 34 HA CYS 34 -1.537 -10.308 -3.601 255 HB2 CYS 34 2HB CYS 34 -0.158 -7.863 -4.720 256 HB3 CYS 34 1HB CYS 34 -1.129 -7.792 -3.252 257 H LYS 35 H LYS 35 -3.376 -8.714 -3.085 258 HA LYS 35 HA LYS 35 -4.977 -8.105 -5.543 259 HB2 LYS 35 2HB LYS 35 -5.555 -10.195 -4.185 260 HB3 LYS 35 1HB LYS 35 -6.059 -9.096 -2.904 261 HG2 LYS 35 2HG LYS 35 -8.078 -9.228 -3.977 262 HG3 LYS 35 1HG LYS 35 -7.363 -7.981 -4.997 263 HD2 LYS 35 2HD LYS 35 -6.745 -9.563 -6.671 264 HD3 LYS 35 1HD LYS 35 -7.054 -10.928 -5.598 265 HE2 LYS 35 2HE LYS 35 -9.311 -9.037 -6.216 266 HE3 LYS 35 1HE LYS 35 -8.864 -10.273 -7.407 267 HZ1 LYS 35 3HZ LYS 35 -9.043 -11.966 -5.724 268 HZ2 LYS 35 1HZ LYS 35 -10.496 -11.093 -5.767 269 HZ3 LYS 35 2HZ LYS 35 -9.373 -10.810 -4.524 270 H PHE 36 H PHE 36 -4.712 -5.867 -5.517 271 HA PHE 36 HA PHE 36 -5.423 -4.408 -3.000 272 HD1 PHE 36 HD2 PHE 36 -5.435 -2.310 -2.482 273 HD2 PHE 36 HD1 PHE 36 -2.865 -1.623 -5.856 274 HE1 PHE 36 HE2 PHE 36 -5.710 0.136 -2.198 275 HE2 PHE 36 HE1 PHE 36 -3.140 0.821 -5.566 276 HZ PHE 36 HZ PHE 36 -4.563 1.696 -3.741 277 HB2 PHE 36 2HB PHE 36 -3.177 -3.977 -3.725 278 HB3 PHE 36 1HB PHE 36 -3.674 -3.820 -5.403 279 H THR 37 H THR 37 -7.230 -3.039 -3.089 280 HA THR 37 HA THR 37 -8.309 -2.241 -5.746 281 HB THR 37 HB THR 37 -10.287 -3.322 -3.808 282 HG1 THR 37 HG1 THR 37 -9.345 -5.183 -3.696 283 HG21 THR 37 3HG2 THR 37 -10.819 -4.417 -6.232 284 HG22 THR 37 1HG2 THR 37 -9.930 -2.975 -6.722 285 HG23 THR 37 2HG2 THR 37 -11.383 -2.822 -5.735 286 H VAL 38 H VAL 38 -10.245 -0.748 -5.420 287 HA VAL 38 HA VAL 38 -10.066 0.841 -2.890 288 HB VAL 38 HB VAL 38 -9.983 1.786 -5.774 289 HG11 VAL 38 1HG1 VAL 38 -11.416 3.324 -4.600 290 HG12 VAL 38 2HG1 VAL 38 -9.828 4.085 -4.707 291 HG13 VAL 38 3HG1 VAL 38 -10.348 3.338 -3.197 292 HG21 VAL 38 3HG2 VAL 38 -7.824 1.052 -4.828 293 HG22 VAL 38 1HG2 VAL 38 -8.064 2.116 -3.442 294 HG23 VAL 38 2HG2 VAL 38 -7.840 2.802 -5.051 295 H LYS 39 H LYS 39 -12.120 1.238 -2.054 296 HA LYS 39 HA LYS 39 -14.446 1.138 -3.935 297 HB2 LYS 39 2HB LYS 39 -13.836 -1.029 -2.621 298 HB3 LYS 39 1HB LYS 39 -14.493 -0.175 -1.224 299 HG2 LYS 39 2HG LYS 39 -16.650 -0.140 -2.079 300 HG3 LYS 39 1HG LYS 39 -16.098 -0.227 -3.753 301 HD2 LYS 39 2HD LYS 39 -15.293 -2.587 -3.241 302 HD3 LYS 39 1HD LYS 39 -16.174 -2.465 -1.718 303 HE2 LYS 39 2HE LYS 39 -18.255 -2.479 -2.758 304 HE3 LYS 39 1HE LYS 39 -17.620 -1.784 -4.263 305 HZ1 LYS 39 3HZ LYS 39 -16.398 -3.835 -4.658 306 HZ2 LYS 39 1HZ LYS 39 -18.058 -4.156 -4.521 307 HZ3 LYS 39 2HZ LYS 39 -17.018 -4.508 -3.225 308 HA PRO 40 HA PRO 40 -14.930 4.791 -1.213 309 HB2 PRO 40 2HB PRO 40 -16.029 6.383 -3.136 310 HB3 PRO 40 1HB PRO 40 -14.276 6.157 -2.977 311 HG2 PRO 40 2HG PRO 40 -16.173 4.931 -4.906 312 HG3 PRO 40 1HG PRO 40 -14.507 5.468 -5.148 313 HD2 PRO 40 2HD PRO 40 -15.261 2.849 -4.802 314 HD3 PRO 40 1HD PRO 40 -13.636 3.480 -4.459 315 H TYR 41 H TYR 41 -17.045 6.025 -0.738 316 HA TYR 41 HA TYR 41 -19.525 4.732 -1.692 317 HD1 TYR 41 HD1 TYR 41 -18.595 6.228 2.216 318 HD2 TYR 41 HD2 TYR 41 -17.151 2.528 0.580 319 HE1 TYR 41 HE1 TYR 41 -16.625 6.331 3.717 320 HE2 TYR 41 HE2 TYR 41 -15.181 2.635 2.078 321 HH TYR 41 HH TYR 41 -14.953 4.243 4.697 322 HB2 TYR 41 2HB TYR 41 -20.074 4.643 0.940 323 HB3 TYR 41 1HB TYR 41 -19.369 3.288 0.081 324 H LEU 42 H LEU 42 -21.404 5.787 -0.277 325 HA LEU 42 HA LEU 42 -20.869 8.738 -0.257 326 HG LEU 42 HG LEU 42 -22.311 10.092 -0.879 327 HB2 LEU 42 2HB LEU 42 -22.481 7.463 -1.926 328 HB3 LEU 42 1HB LEU 42 -23.594 7.527 -0.559 329 HD11 LEU 42 1HD1 LEU 42 -23.278 10.686 -3.082 330 HD12 LEU 42 2HD1 LEU 42 -23.742 9.001 -3.322 331 HD13 LEU 42 3HD1 LEU 42 -22.036 9.442 -3.231 332 HD21 LEU 42 3HD2 LEU 42 -24.503 9.527 0.241 333 HD22 LEU 42 1HD2 LEU 42 -25.192 9.273 -1.362 334 HD23 LEU 42 2HD2 LEU 42 -24.604 10.869 -0.899 335 H LYS 43 H LYS 43 -21.808 9.975 1.424 336 HA LYS 43 HA LYS 43 -22.773 8.425 3.800 337 HB2 LYS 43 2HB LYS 43 -20.451 9.854 3.493 338 HB3 LYS 43 1HB LYS 43 -21.522 11.081 4.161 339 HG2 LYS 43 2HG LYS 43 -20.645 10.090 6.095 340 HG3 LYS 43 1HG LYS 43 -22.160 9.209 5.885 341 HD2 LYS 43 2HD LYS 43 -21.032 7.342 4.877 342 HD3 LYS 43 1HD LYS 43 -19.523 8.246 4.751 343 HE2 LYS 43 2HE LYS 43 -19.616 8.439 7.325 344 HE3 LYS 43 1HE LYS 43 -20.846 7.161 7.247 345 HZ1 LYS 43 3HZ LYS 43 -18.593 6.242 7.431 346 HZ2 LYS 43 1HZ LYS 43 -18.151 7.022 5.991 347 HZ3 LYS 43 2HZ LYS 43 -19.332 5.799 5.966 348 H ARG 44 H ARG 44 -23.937 10.108 5.343 349 HA ARG 44 HA ARG 44 -26.408 10.861 4.435 350 HE ARG 44 HE ARG 44 -26.219 8.376 8.615 351 HB2 ARG 44 2HB ARG 44 -24.543 12.011 6.491 352 HB3 ARG 44 1HB ARG 44 -26.127 12.744 6.244 353 HG2 ARG 44 2HG ARG 44 -27.008 11.147 7.562 354 HG3 ARG 44 1HG ARG 44 -26.586 9.962 6.326 355 HD2 ARG 44 2HD ARG 44 -24.462 9.503 7.360 356 HD3 ARG 44 1HD ARG 44 -24.629 10.891 8.455 357 HH11 ARG 44 1HH2 ARG 44 -27.961 10.600 9.417 358 HH12 ARG 44 2HH2 ARG 44 -27.607 10.798 11.101 359 HH21 ARG 44 2HH1 ARG 44 -24.632 9.008 10.953 360 HH22 ARG 44 1HH1 ARG 44 -25.715 9.894 11.973 361 H PHE 45 H PHE 45 -23.479 12.881 4.169 362 HA PHE 45 HA PHE 45 -24.705 14.348 1.927 363 HD1 PHE 45 HD1 PHE 45 -24.775 14.273 5.994 364 HD2 PHE 45 HD2 PHE 45 -22.387 17.277 4.062 365 HE1 PHE 45 HE1 PHE 45 -23.386 14.484 8.036 366 HE2 PHE 45 HE2 PHE 45 -20.998 17.486 6.104 367 HZ PHE 45 HZ PHE 45 -21.497 16.089 8.092 368 HB2 PHE 45 2HB PHE 45 -24.435 16.540 3.062 369 HB3 PHE 45 1HB PHE 45 -25.557 15.498 3.931 370 H GLN 46 H GLN 46 -22.336 12.616 2.204 371 HA GLN 46 HA GLN 46 -20.364 14.414 0.972 372 HB2 GLN 46 2HB GLN 46 -20.375 13.970 3.784 373 HB3 GLN 46 1HB GLN 46 -18.995 13.089 3.130 374 HG2 GLN 46 2HG GLN 46 -17.947 15.002 2.376 375 HG3 GLN 46 1HG GLN 46 -19.465 15.865 2.127 376 HE21 GLN 46 1HE2 GLN 46 -19.514 17.617 3.548 377 HE22 GLN 46 2HE2 GLN 46 -19.037 17.563 5.175 378 H VAL 47 H VAL 47 -18.830 13.235 -0.251 379 HA VAL 47 HA VAL 47 -19.332 10.306 -0.466 380 HB VAL 47 HB VAL 47 -17.768 12.258 -2.194 381 HG11 VAL 47 1HG1 VAL 47 -18.176 10.360 -3.900 382 HG12 VAL 47 2HG1 VAL 47 -18.532 9.351 -2.499 383 HG13 VAL 47 3HG1 VAL 47 -16.940 10.087 -2.672 384 HG21 VAL 47 3HG2 VAL 47 -20.633 11.419 -2.080 385 HG22 VAL 47 1HG2 VAL 47 -19.912 11.608 -3.678 386 HG23 VAL 47 2HG2 VAL 47 -19.936 12.968 -2.554 387 H TYR 48 H TYR 48 -17.916 8.940 0.565 388 HA TYR 48 HA TYR 48 -15.227 10.004 1.331 389 HD1 TYR 48 HD1 TYR 48 -18.535 9.956 3.122 390 HD2 TYR 48 HD2 TYR 48 -14.382 9.679 4.192 391 HE1 TYR 48 HE1 TYR 48 -18.830 11.807 4.744 392 HE2 TYR 48 HE2 TYR 48 -14.679 11.529 5.815 393 HH TYR 48 HH TYR 48 -17.451 12.487 7.026 394 HB2 TYR 48 2HB TYR 48 -17.180 8.020 2.465 395 HB3 TYR 48 1HB TYR 48 -15.476 7.911 2.908 396 H TYR 49 H TYR 49 -13.370 8.691 0.967 397 HA TYR 49 HA TYR 49 -13.718 6.604 -1.151 398 HD1 TYR 49 HD2 TYR 49 -14.044 8.849 -2.570 399 HD2 TYR 49 HD1 TYR 49 -10.274 6.826 -2.917 400 HE1 TYR 49 HE2 TYR 49 -14.295 8.804 -5.037 401 HE2 TYR 49 HE1 TYR 49 -10.518 6.784 -5.382 402 HH TYR 49 HH TYR 49 -13.244 7.131 -6.963 403 HB2 TYR 49 2HB TYR 49 -12.032 8.895 -0.744 404 HB3 TYR 49 1HB TYR 49 -11.017 7.458 -0.820 405 H LYS 50 H LYS 50 -12.359 4.661 -0.969 406 HA LYS 50 HA LYS 50 -10.937 4.174 1.570 407 HB2 LYS 50 2HB LYS 50 -13.321 3.790 2.088 408 HB3 LYS 50 1HB LYS 50 -13.426 2.642 0.755 409 HG2 LYS 50 2HG LYS 50 -12.431 0.990 1.950 410 HG3 LYS 50 1HG LYS 50 -11.217 2.083 2.616 411 HD2 LYS 50 2HD LYS 50 -12.853 2.939 4.237 412 HD3 LYS 50 1HD LYS 50 -14.092 1.882 3.559 413 HE2 LYS 50 2HE LYS 50 -13.133 -0.047 4.452 414 HE3 LYS 50 1HE LYS 50 -11.508 0.664 4.504 415 HZ1 LYS 50 3HZ LYS 50 -12.131 2.082 6.274 416 HZ2 LYS 50 1HZ LYS 50 -12.669 0.534 6.710 417 HZ3 LYS 50 2HZ LYS 50 -13.777 1.684 6.128 418 H GLY 51 H GLY 51 -9.538 2.349 1.410 419 HA2 GLY 51 2HA GLY 51 -9.652 0.739 -1.065 420 HA3 GLY 51 1HA GLY 51 -8.182 1.661 -0.784 421 H ARG 52 H ARG 52 -8.556 -1.264 -0.881 422 HA ARG 52 HA ARG 52 -7.261 -1.921 1.713 423 HE ARG 52 HE ARG 52 -11.275 -4.180 2.605 424 HB2 ARG 52 2HB ARG 52 -9.722 -2.235 1.946 425 HB3 ARG 52 1HB ARG 52 -9.695 -3.333 0.566 426 HG2 ARG 52 2HG ARG 52 -9.090 -5.047 1.894 427 HG3 ARG 52 1HG ARG 52 -7.685 -4.145 2.464 428 HD2 ARG 52 2HD ARG 52 -8.971 -4.560 4.433 429 HD3 ARG 52 1HD ARG 52 -9.365 -2.887 3.998 430 HH11 ARG 52 1HH2 ARG 52 -11.499 -3.097 5.551 431 HH12 ARG 52 2HH2 ARG 52 -12.364 -4.414 6.273 432 HH21 ARG 52 2HH1 ARG 52 -11.765 -6.596 3.632 433 HH22 ARG 52 1HH1 ARG 52 -12.513 -6.406 5.182 434 H MET 53 H MET 53 -5.791 -3.671 1.501 435 HA MET 53 HA MET 53 -5.772 -5.162 -1.072 436 HB2 MET 53 2HB MET 53 -3.497 -4.522 -1.542 437 HB3 MET 53 1HB MET 53 -4.398 -3.047 -1.220 438 HG2 MET 53 2HG MET 53 -3.285 -2.631 0.743 439 HG3 MET 53 1HG MET 53 -3.104 -4.340 1.127 440 HE1 MET 53 3HE MET 53 -1.189 -5.582 -1.615 441 HE2 MET 53 1HE MET 53 -1.982 -5.874 -0.061 442 HE3 MET 53 2HE MET 53 -0.232 -5.686 -0.138 443 H TRP 54 H TRP 54 -4.654 -7.150 -0.975 444 HA TRP 54 HA TRP 54 -3.354 -8.000 1.535 445 HD1 TRP 54 HD1 TRP 54 -5.720 -11.233 -0.419 446 HE1 TRP 54 HE1 TRP 54 -7.690 -10.919 -2.051 447 HE3 TRP 54 HE3 TRP 54 -7.220 -6.528 0.895 448 HZ2 TRP 54 HZ2 TRP 54 -9.641 -8.933 -2.714 449 HZ3 TRP 54 HZ3 TRP 54 -9.131 -5.452 -0.255 450 HH2 TRP 54 HH2 TRP 54 -10.344 -6.647 -2.055 451 HB2 TRP 54 2HB TRP 54 -4.976 -9.926 1.750 452 HB3 TRP 54 1HB TRP 54 -5.694 -8.350 2.061 453 H CYS 55 H CYS 55 -2.016 -9.862 1.207 454 HA CYS 55 HA CYS 55 -1.733 -10.648 -1.666 455 HB2 CYS 55 2HB CYS 55 0.201 -10.517 0.652 456 HB3 CYS 55 1HB CYS 55 0.625 -11.172 -0.925 457 HA PRO 56 HA PRO 56 -3.047 -14.552 0.336 458 HB2 PRO 56 2HB PRO 56 -4.585 -15.418 -1.757 459 HB3 PRO 56 1HB PRO 56 -5.195 -14.326 -0.499 460 HG2 PRO 56 2HG PRO 56 -4.348 -13.728 -3.274 461 HG3 PRO 56 1HG PRO 56 -5.605 -12.973 -2.285 462 HD2 PRO 56 2HD PRO 56 -3.100 -11.903 -2.761 463 HD3 PRO 56 1HD PRO 56 -4.164 -11.445 -1.428 464 H GLY 57 H GLY 57 -0.764 -15.153 0.030 465 HA2 GLY 57 2HA GLY 57 -0.085 -17.393 -1.297 466 HA3 GLY 57 1HA GLY 57 0.049 -16.211 -2.599 467 H TRP 58 H TRP 58 1.082 -14.020 -1.285 468 HA TRP 58 HA TRP 58 3.885 -14.673 -1.031 469 HD1 TRP 58 HD1 TRP 58 5.668 -13.650 -0.007 470 HE1 TRP 58 HE1 TRP 58 7.237 -11.808 0.885 471 HE3 TRP 58 HE3 TRP 58 2.638 -9.577 -0.543 472 HZ2 TRP 58 HZ2 TRP 58 7.208 -8.980 1.312 473 HZ3 TRP 58 HZ3 TRP 58 3.432 -7.323 0.111 474 HH2 TRP 58 HH2 TRP 58 5.709 -7.020 1.038 475 HB2 TRP 58 2HB TRP 58 3.083 -12.556 -1.917 476 HB3 TRP 58 1HB TRP 58 2.196 -12.222 -0.440 477 H THR 59 H THR 59 1.571 -13.315 1.347 478 HA THR 59 HA THR 59 2.772 -14.946 3.499 479 HB THR 59 HB THR 59 4.185 -12.910 3.269 480 HG1 THR 59 HG1 THR 59 4.272 -13.220 5.328 481 HG21 THR 59 3HG2 THR 59 1.756 -11.301 4.058 482 HG22 THR 59 1HG2 THR 59 2.205 -11.534 2.369 483 HG23 THR 59 2HG2 THR 59 3.312 -10.716 3.471 484 H ALA 60 H ALA 60 1.588 -13.634 5.653 485 HA ALA 60 HA ALA 60 -1.336 -13.767 4.993 486 HB1 ALA 60 3HB ALA 60 0.330 -14.736 7.324 487 HB2 ALA 60 1HB ALA 60 -0.754 -15.671 6.294 488 HB3 ALA 60 2HB ALA 60 -1.416 -14.535 7.470 489 H ILE 61 H ILE 61 -0.344 -11.307 4.660 490 HA ILE 61 HA ILE 61 -1.079 -9.832 7.163 491 HB ILE 61 HB ILE 61 1.233 -9.524 5.241 492 HG12 ILE 61 2HG1 ILE 61 1.149 -9.309 8.261 493 HG13 ILE 61 1HG1 ILE 61 1.342 -10.851 7.427 494 HG21 ILE 61 1HG2 ILE 61 0.039 -7.401 7.044 495 HG22 ILE 61 2HG2 ILE 61 0.338 -7.294 5.309 496 HG23 ILE 61 3HG2 ILE 61 1.692 -7.327 6.437 497 HD11 ILE 61 3HD1 ILE 61 3.557 -10.075 7.917 498 HD12 ILE 61 1HD1 ILE 61 3.188 -8.454 7.329 499 HD13 ILE 61 2HD1 ILE 61 3.308 -9.799 6.193 500 H ARG 62 H ARG 62 -2.016 -7.682 6.714 501 HA ARG 62 HA ARG 62 -2.998 -7.308 3.924 502 HE ARG 62 HE ARG 62 -6.259 -5.588 6.362 503 HB2 ARG 62 2HB ARG 62 -5.216 -6.698 5.009 504 HB3 ARG 62 1HB ARG 62 -4.781 -8.399 5.086 505 HG2 ARG 62 2HG ARG 62 -4.046 -8.180 7.380 506 HG3 ARG 62 1HG ARG 62 -4.207 -6.425 7.313 507 HD2 ARG 62 2HD ARG 62 -6.553 -8.304 6.886 508 HD3 ARG 62 1HD ARG 62 -6.141 -7.605 8.464 509 HH11 ARG 62 2HH1 ARG 62 -8.698 -7.655 7.220 510 HH12 ARG 62 1HH1 ARG 62 -9.734 -6.463 7.931 511 HH21 ARG 62 1HH2 ARG 62 -7.336 -3.951 7.871 512 HH22 ARG 62 2HH2 ARG 62 -8.962 -4.363 8.300 513 H GLY 63 H GLY 63 -4.019 -5.071 3.706 514 HA2 GLY 63 2HA GLY 63 -3.166 -3.016 5.604 515 HA3 GLY 63 1HA GLY 63 -2.241 -3.002 4.103 516 H GLU 64 H GLU 64 -4.666 -1.424 5.484 517 HA GLU 64 HA GLU 64 -5.933 -0.775 2.882 518 HB2 GLU 64 2HB GLU 64 -8.169 -1.056 3.925 519 HB3 GLU 64 1HB GLU 64 -7.269 -2.567 3.888 520 HG2 GLU 64 2HG GLU 64 -7.201 -2.701 6.150 521 HG3 GLU 64 1HG GLU 64 -6.777 -0.999 6.322 522 H ALA 65 H ALA 65 -7.023 1.311 2.918 523 HA ALA 65 HA ALA 65 -6.872 2.961 5.358 524 HB1 ALA 65 3HB ALA 65 -5.347 4.599 4.229 525 HB2 ALA 65 1HB ALA 65 -5.161 3.453 2.902 526 HB3 ALA 65 2HB ALA 65 -4.584 3.036 4.515 527 H SER 66 H SER 66 -8.013 5.002 5.090 528 HA SER 66 HA SER 66 -9.560 5.265 2.540 529 HG SER 66 HG SER 66 -10.492 3.265 4.099 530 HB2 SER 66 2HB SER 66 -10.837 5.863 5.179 531 HB3 SER 66 1HB SER 66 -11.577 5.284 3.693 532 H THR 67 H THR 67 -10.006 7.398 1.922 533 HA THR 67 HA THR 67 -9.687 9.705 3.639 534 HB THR 67 HB THR 67 -7.326 8.938 3.422 535 HG1 THR 67 HG1 THR 67 -7.356 11.210 1.836 536 HG21 THR 67 3HG2 THR 67 -7.769 9.438 0.463 537 HG22 THR 67 1HG2 THR 67 -7.511 7.866 1.217 538 HG23 THR 67 2HG2 THR 67 -6.219 9.065 1.217 539 H ARG 68 H ARG 68 -10.262 11.664 2.486 540 HA ARG 68 HA ARG 68 -12.095 11.404 0.342 541 HE ARG 68 HE ARG 68 -15.290 14.761 0.587 542 HB2 ARG 68 2HB ARG 68 -10.944 13.440 1.984 543 HB3 ARG 68 1HB ARG 68 -10.885 14.001 0.314 544 HG2 ARG 68 2HG ARG 68 -13.415 12.785 0.622 545 HG3 ARG 68 1HG ARG 68 -13.173 13.765 2.069 546 HD2 ARG 68 2HD ARG 68 -12.984 15.763 0.841 547 HD3 ARG 68 1HD ARG 68 -12.564 14.911 -0.658 548 HH11 ARG 68 1HH2 ARG 68 -14.364 16.599 -1.790 549 HH12 ARG 68 2HH2 ARG 68 -15.065 15.729 -3.114 550 HH21 ARG 68 2HH1 ARG 68 -15.666 12.854 -1.251 551 HH22 ARG 68 1HH1 ARG 68 -15.811 13.606 -2.807 552 H SER 69 H SER 69 -8.585 11.764 0.233 553 HA SER 69 HA SER 69 -8.324 12.656 -2.479 554 HG SER 69 HG SER 69 -5.712 11.672 0.314 555 HB2 SER 69 2HB SER 69 -6.115 11.028 -1.838 556 HB3 SER 69 1HB SER 69 -6.233 12.771 -1.646 557 H GLN 70 H GLN 70 -8.492 11.553 -4.385 558 HA GLN 70 HA GLN 70 -9.589 8.880 -4.479 559 HB2 GLN 70 2HB GLN 70 -8.579 10.939 -6.423 560 HB3 GLN 70 1HB GLN 70 -8.949 9.317 -7.005 561 HG2 GLN 70 2HG GLN 70 -11.103 9.970 -7.141 562 HG3 GLN 70 1HG GLN 70 -11.125 9.969 -5.378 563 HE21 GLN 70 1HE2 GLN 70 -11.309 11.998 -4.325 564 HE22 GLN 70 2HE2 GLN 70 -11.300 13.486 -5.141 565 H SER 71 H SER 71 -6.410 10.170 -5.542 566 HA SER 71 HA SER 71 -5.314 7.480 -5.923 567 HG SER 71 HG SER 71 -4.479 8.932 -8.266 568 HB2 SER 71 2HB SER 71 -4.028 10.229 -5.896 569 HB3 SER 71 1HB SER 71 -3.293 8.759 -6.529 570 H GLY 72 H GLY 72 -5.308 9.948 -3.408 571 HA2 GLY 72 2HA GLY 72 -3.075 9.054 -1.885 572 HA3 GLY 72 1HA GLY 72 -4.450 9.942 -1.231 573 H VAL 73 H VAL 73 -6.531 8.101 -1.727 574 HA VAL 73 HA VAL 73 -6.331 6.348 0.502 575 HB VAL 73 HB VAL 73 -8.336 7.249 -0.998 576 HG11 VAL 73 1HG1 VAL 73 -7.836 4.476 -2.121 577 HG12 VAL 73 2HG1 VAL 73 -7.719 5.990 -3.019 578 HG13 VAL 73 3HG1 VAL 73 -9.280 5.446 -2.406 579 HG21 VAL 73 3HG2 VAL 73 -8.359 5.906 1.183 580 HG22 VAL 73 1HG2 VAL 73 -8.546 4.472 0.174 581 HG23 VAL 73 2HG2 VAL 73 -9.775 5.736 0.145 582 H ALA 74 H ALA 74 -5.608 5.784 -2.929 583 HA ALA 74 HA ALA 74 -5.171 2.932 -2.658 584 HB1 ALA 74 3HB ALA 74 -4.477 5.072 -4.678 585 HB2 ALA 74 1HB ALA 74 -5.671 3.781 -4.823 586 HB3 ALA 74 2HB ALA 74 -3.949 3.404 -4.899 587 H GLY 75 H GLY 75 -3.027 5.785 -2.676 588 HA2 GLY 75 2HA GLY 75 -0.584 4.303 -2.376 589 HA3 GLY 75 1HA GLY 75 -0.787 6.016 -2.007 590 H LYS 76 H LYS 76 -2.897 5.723 -0.080 591 HA LYS 76 HA LYS 76 -1.390 5.239 2.314 592 HB2 LYS 76 2HB LYS 76 -4.190 5.861 1.509 593 HB3 LYS 76 1HB LYS 76 -3.972 5.185 3.121 594 HG2 LYS 76 2HG LYS 76 -1.938 7.120 2.817 595 HG3 LYS 76 1HG LYS 76 -3.413 7.863 2.200 596 HD2 LYS 76 2HD LYS 76 -4.508 7.723 4.241 597 HD3 LYS 76 1HD LYS 76 -3.552 6.341 4.778 598 HE2 LYS 76 2HE LYS 76 -2.242 9.033 4.361 599 HE3 LYS 76 1HE LYS 76 -3.058 8.644 5.887 600 HZ1 LYS 76 3HZ LYS 76 -0.811 7.196 4.602 601 HZ2 LYS 76 1HZ LYS 76 -1.755 6.492 5.823 602 HZ3 LYS 76 2HZ LYS 76 -0.854 7.895 6.149 603 H THR 77 H THR 77 -3.782 3.261 0.530 604 HA THR 77 HA THR 77 -3.993 1.102 2.388 605 HB THR 77 HB THR 77 -4.196 1.303 -0.638 606 HG1 THR 77 HG1 THR 77 -5.874 2.364 0.127 607 HG21 THR 77 3HG2 THR 77 -3.827 -1.014 -0.220 608 HG22 THR 77 1HG2 THR 77 -5.573 -0.834 -0.377 609 HG23 THR 77 2HG2 THR 77 -4.843 -0.991 1.220 610 H ALA 78 H ALA 78 -1.745 1.660 -0.325 611 HA ALA 78 HA ALA 78 -0.282 -0.808 -0.013 612 HB1 ALA 78 3HB ALA 78 -0.302 0.507 -2.077 613 HB2 ALA 78 1HB ALA 78 1.352 0.415 -1.473 614 HB3 ALA 78 2HB ALA 78 0.407 1.885 -1.236 615 H LYS 79 H LYS 79 0.116 2.483 1.288 616 HA LYS 79 HA LYS 79 2.677 2.095 2.534 617 HB2 LYS 79 2HB LYS 79 1.182 4.212 2.042 618 HB3 LYS 79 1HB LYS 79 0.509 3.873 3.636 619 HG2 LYS 79 2HG LYS 79 3.464 3.798 3.497 620 HG3 LYS 79 1HG LYS 79 2.747 5.385 3.212 621 HD2 LYS 79 2HD LYS 79 1.506 5.245 5.313 622 HD3 LYS 79 1HD LYS 79 2.109 3.610 5.587 623 HE2 LYS 79 2HE LYS 79 4.415 5.174 5.129 624 HE3 LYS 79 1HE LYS 79 3.392 6.135 6.215 625 HZ1 LYS 79 3HZ LYS 79 3.058 4.116 7.561 626 HZ2 LYS 79 1HZ LYS 79 4.685 4.594 7.517 627 HZ3 LYS 79 2HZ LYS 79 4.159 3.283 6.570 628 H ASP 80 H ASP 80 -0.668 1.608 3.678 629 HA ASP 80 HA ASP 80 -0.087 0.958 6.396 630 HB2 ASP 80 2HB ASP 80 -2.291 0.700 4.449 631 HB3 ASP 80 1HB ASP 80 -2.318 -0.523 5.719 632 H PHE 81 H PHE 81 -0.250 -1.084 3.471 633 HA PHE 81 HA PHE 81 0.197 -3.583 4.866 634 HD1 PHE 81 HD2 PHE 81 2.486 -4.957 2.687 635 HD2 PHE 81 HD1 PHE 81 -1.800 -5.181 2.558 636 HE1 PHE 81 HE2 PHE 81 2.620 -7.429 2.542 637 HE2 PHE 81 HE1 PHE 81 -1.665 -7.652 2.412 638 HZ PHE 81 HZ PHE 81 0.543 -8.776 2.406 639 HB2 PHE 81 2HB PHE 81 -0.762 -3.083 2.507 640 HB3 PHE 81 1HB PHE 81 0.921 -2.962 1.995 641 H VAL 82 H VAL 82 2.360 -1.220 3.281 642 HA VAL 82 HA VAL 82 4.752 -2.828 3.606 643 HB VAL 82 HB VAL 82 4.313 0.147 3.157 644 HG11 VAL 82 1HG1 VAL 82 6.759 -1.554 3.354 645 HG12 VAL 82 2HG1 VAL 82 6.542 0.150 3.751 646 HG13 VAL 82 3HG1 VAL 82 6.723 -0.347 2.068 647 HG21 VAL 82 3HG2 VAL 82 4.148 -0.322 0.922 648 HG22 VAL 82 1HG2 VAL 82 3.630 -1.906 1.498 649 HG23 VAL 82 2HG2 VAL 82 5.306 -1.649 1.014 650 H ARG 83 H ARG 83 3.107 -0.379 5.593 651 HA ARG 83 HA ARG 83 5.250 -0.022 7.511 652 HE ARG 83 HE ARG 83 3.392 2.587 11.504 653 HB2 ARG 83 2HB ARG 83 3.176 1.422 7.043 654 HB3 ARG 83 1HB ARG 83 2.263 0.236 7.970 655 HG2 ARG 83 2HG ARG 83 4.689 1.066 9.366 656 HG3 ARG 83 1HG ARG 83 3.633 2.434 9.014 657 HD2 ARG 83 2HD ARG 83 1.784 0.635 9.877 658 HD3 ARG 83 1HD ARG 83 3.187 0.133 10.840 659 HH11 ARG 83 1HH2 ARG 83 0.632 0.844 11.913 660 HH12 ARG 83 2HH2 ARG 83 -0.459 2.186 12.008 661 HH21 ARG 83 2HH1 ARG 83 1.899 4.522 10.975 662 HH22 ARG 83 1HH1 ARG 83 0.261 4.273 11.481 663 H LYS 84 H LYS 84 2.411 -2.186 7.349 664 HA LYS 84 HA LYS 84 2.941 -3.451 9.916 665 HB2 LYS 84 2HB LYS 84 0.811 -3.278 8.276 666 HB3 LYS 84 1HB LYS 84 1.447 -4.827 7.720 667 HG2 LYS 84 2HG LYS 84 0.716 -5.877 9.578 668 HG3 LYS 84 1HG LYS 84 1.474 -4.679 10.622 669 HD2 LYS 84 2HD LYS 84 -0.902 -4.599 11.040 670 HD3 LYS 84 1HD LYS 84 -0.472 -3.144 10.142 671 HE2 LYS 84 2HE LYS 84 -2.391 -3.916 8.994 672 HE3 LYS 84 1HE LYS 84 -1.067 -4.595 8.025 673 HZ1 LYS 84 3HZ LYS 84 -2.600 -5.953 10.178 674 HZ2 LYS 84 1HZ LYS 84 -1.178 -6.586 9.502 675 HZ3 LYS 84 2HZ LYS 84 -2.554 -6.367 8.533 676 H ALA 85 H ALA 85 3.767 -4.123 6.522 677 HA ALA 85 HA ALA 85 4.963 -6.714 6.971 678 HB1 ALA 85 3HB ALA 85 5.444 -4.608 4.831 679 HB2 ALA 85 1HB ALA 85 4.184 -5.841 4.777 680 HB3 ALA 85 2HB ALA 85 5.883 -6.311 4.706 681 H PHE 86 H PHE 86 6.187 -3.363 7.000 682 HA PHE 86 HA PHE 86 8.983 -3.928 7.214 683 HD1 PHE 86 HD1 PHE 86 10.838 -2.284 7.959 684 HD2 PHE 86 HD2 PHE 86 7.752 -0.592 5.493 685 HE1 PHE 86 HE1 PHE 86 12.560 -1.400 6.408 686 HE2 PHE 86 HE2 PHE 86 9.474 0.289 3.944 687 HZ PHE 86 HZ PHE 86 11.878 -0.115 4.401 688 HB2 PHE 86 2HB PHE 86 7.157 -1.698 7.446 689 HB3 PHE 86 1HB PHE 86 8.314 -1.630 8.766 690 H GLN 87 H GLN 87 6.444 -3.530 9.701 691 HA GLN 87 HA GLN 87 8.175 -3.897 11.979 692 HB2 GLN 87 2HB GLN 87 5.208 -4.147 11.444 693 HB3 GLN 87 1HB GLN 87 5.885 -4.397 13.054 694 HG2 GLN 87 2HG GLN 87 6.970 -2.124 12.861 695 HG3 GLN 87 1HG GLN 87 6.056 -1.882 11.372 696 HE21 GLN 87 1HE2 GLN 87 5.784 -2.092 14.888 697 HE22 GLN 87 2HE2 GLN 87 4.160 -1.606 14.971 698 H LYS 88 H LYS 88 6.248 -6.157 10.003 699 HA LYS 88 HA LYS 88 6.690 -8.464 11.702 700 HB2 LYS 88 2HB LYS 88 5.651 -7.880 8.948 701 HB3 LYS 88 1HB LYS 88 6.018 -9.553 9.369 702 HG2 LYS 88 2HG LYS 88 4.338 -7.826 11.186 703 HG3 LYS 88 1HG LYS 88 3.616 -8.699 9.833 704 HD2 LYS 88 2HD LYS 88 5.437 -10.289 11.554 705 HD3 LYS 88 1HD LYS 88 3.931 -9.776 12.313 706 HE2 LYS 88 2HE LYS 88 3.529 -10.789 9.581 707 HE3 LYS 88 1HE LYS 88 4.200 -12.005 10.683 708 HZ1 LYS 88 3HZ LYS 88 2.493 -11.455 12.297 709 HZ2 LYS 88 1HZ LYS 88 1.772 -11.914 10.832 710 HZ3 LYS 88 2HZ LYS 88 1.849 -10.271 11.260 711 H GLY 89 H GLY 89 8.102 -7.502 8.545 712 HA2 GLY 89 2HA GLY 89 10.660 -7.698 8.525 713 HA3 GLY 89 1HA GLY 89 10.374 -9.339 9.096 714 H LEU 90 H LEU 90 8.900 -7.328 6.522 715 HA LEU 90 HA LEU 90 9.508 -9.540 4.598 716 HG LEU 90 HG LEU 90 7.326 -10.386 6.068 717 HB2 LEU 90 2HB LEU 90 6.981 -8.087 5.283 718 HB3 LEU 90 1HB LEU 90 7.210 -8.604 3.613 719 HD11 LEU 90 1HD1 LEU 90 5.265 -11.308 5.298 720 HD12 LEU 90 2HD1 LEU 90 5.388 -10.478 3.747 721 HD13 LEU 90 3HD1 LEU 90 5.060 -9.559 5.216 722 HD21 LEU 90 3HD2 LEU 90 7.298 -12.147 4.099 723 HD22 LEU 90 1HD2 LEU 90 8.824 -11.418 4.600 724 HD23 LEU 90 2HD2 LEU 90 7.988 -10.819 3.166 725 H ILE 91 H ILE 91 8.534 -6.086 4.801 726 HA ILE 91 HA ILE 91 9.825 -5.574 2.185 727 HB ILE 91 HB ILE 91 8.109 -3.936 4.082 728 HG12 ILE 91 2HG1 ILE 91 6.976 -5.777 2.837 729 HG13 ILE 91 1HG1 ILE 91 6.404 -4.186 2.337 730 HG21 ILE 91 1HG2 ILE 91 9.594 -3.189 1.591 731 HG22 ILE 91 2HG2 ILE 91 9.272 -2.229 3.035 732 HG23 ILE 91 3HG2 ILE 91 7.994 -2.493 1.849 733 HD11 ILE 91 3HD1 ILE 91 8.048 -4.272 0.432 734 HD12 ILE 91 1HD1 ILE 91 6.789 -5.504 0.342 735 HD13 ILE 91 2HD1 ILE 91 8.409 -5.938 0.887 736 H SER 92 H SER 92 12.063 -5.752 2.808 737 HA SER 92 HA SER 92 13.154 -4.203 5.034 738 HG SER 92 HG SER 92 14.258 -7.282 4.297 739 HB2 SER 92 2HB SER 92 14.874 -5.196 2.810 740 HB3 SER 92 1HB SER 92 15.083 -5.373 4.548 741 H GLN 93 H GLN 93 14.989 -2.589 4.534 742 HA GLN 93 HA GLN 93 13.988 -0.402 2.972 743 HB2 GLN 93 2HB GLN 93 16.280 -1.087 4.661 744 HB3 GLN 93 1HB GLN 93 16.729 -0.007 3.342 745 HG2 GLN 93 2HG GLN 93 15.667 1.740 4.294 746 HG3 GLN 93 1HG GLN 93 14.206 0.791 4.559 747 HE21 GLN 93 1HE2 GLN 93 13.754 1.152 6.765 748 HE22 GLN 93 2HE2 GLN 93 14.865 0.882 8.020 749 H GLN 94 H GLN 94 16.830 -2.520 2.369 750 HA GLN 94 HA GLN 94 17.304 -1.490 -0.287 751 HB2 GLN 94 2HB GLN 94 18.278 -3.643 1.498 752 HB3 GLN 94 1HB GLN 94 18.491 -3.950 -0.226 753 HG2 GLN 94 2HG GLN 94 19.471 -1.585 -0.374 754 HG3 GLN 94 1HG GLN 94 19.538 -1.620 1.389 755 HE21 GLN 94 1HE2 GLN 94 20.606 -3.549 -1.471 756 HE22 GLN 94 2HE2 GLN 94 22.016 -4.134 -0.726 757 H GLU 95 H GLU 95 15.475 -4.285 0.953 758 HA GLU 95 HA GLU 95 14.952 -5.558 -1.559 759 HB2 GLU 95 2HB GLU 95 14.165 -5.733 1.212 760 HB3 GLU 95 1HB GLU 95 12.735 -5.883 0.193 761 HG2 GLU 95 2HG GLU 95 14.725 -7.420 -1.078 762 HG3 GLU 95 1HG GLU 95 14.857 -7.801 0.639 763 H ALA 96 H ALA 96 13.132 -3.048 0.237 764 HA ALA 96 HA ALA 96 10.954 -2.850 -1.638 765 HB1 ALA 96 3HB ALA 96 10.382 -0.927 -0.341 766 HB2 ALA 96 1HB ALA 96 12.065 -0.636 0.100 767 HB3 ALA 96 2HB ALA 96 11.195 -2.007 0.793 768 H ASN 97 H ASN 97 14.106 -1.240 -1.350 769 HA ASN 97 HA ASN 97 13.777 0.713 -3.419 770 HB2 ASN 97 2HB ASN 97 15.560 0.566 -1.630 771 HB3 ASN 97 1HB ASN 97 16.286 -0.755 -2.543 772 HD21 ASN 97 1HD2 ASN 97 18.234 0.570 -2.939 773 HD22 ASN 97 2HD2 ASN 97 18.201 1.836 -4.068 774 H GLN 98 H GLN 98 14.970 -2.661 -3.487 775 HA GLN 98 HA GLN 98 15.700 -2.697 -6.268 776 HB2 GLN 98 2HB GLN 98 15.640 -4.445 -4.026 777 HB3 GLN 98 1HB GLN 98 14.725 -5.245 -5.304 778 HG2 GLN 98 2HG GLN 98 16.552 -5.427 -6.695 779 HG3 GLN 98 1HG GLN 98 17.303 -3.957 -6.075 780 HE21 GLN 98 1HE2 GLN 98 16.766 -7.414 -5.337 781 HE22 GLN 98 2HE2 GLN 98 18.017 -7.528 -4.195 782 H TRP 99 H TRP 99 12.659 -3.479 -4.559 783 HA TRP 99 HA TRP 99 11.191 -4.313 -6.904 784 HD1 TRP 99 HD1 TRP 99 9.279 -6.036 -6.616 785 HE1 TRP 99 HE1 TRP 99 6.781 -5.854 -7.233 786 HE3 TRP 99 HE3 TRP 99 8.096 -1.658 -4.256 787 HZ2 TRP 99 HZ2 TRP 99 4.578 -4.086 -6.781 788 HZ3 TRP 99 HZ3 TRP 99 5.794 -0.759 -4.365 789 HH2 TRP 99 HH2 TRP 99 4.035 -1.964 -5.625 790 HB2 TRP 99 2HB TRP 99 10.618 -4.736 -4.479 791 HB3 TRP 99 1HB TRP 99 10.181 -3.034 -4.339 792 H LEU 100 H LEU 100 11.734 -1.209 -5.296 793 HA LEU 100 HA LEU 100 9.869 0.419 -6.694 794 HG LEU 100 HG LEU 100 11.239 2.920 -6.956 795 HB2 LEU 100 2HB LEU 100 11.356 0.931 -4.667 796 HB3 LEU 100 1HB LEU 100 12.661 1.216 -5.819 797 HD11 LEU 100 1HD1 LEU 100 9.012 2.567 -6.547 798 HD12 LEU 100 2HD1 LEU 100 9.315 3.655 -5.193 799 HD13 LEU 100 3HD1 LEU 100 9.305 1.910 -4.937 800 HD21 LEU 100 3HD2 LEU 100 12.841 3.672 -5.284 801 HD22 LEU 100 1HD2 LEU 100 11.716 3.289 -3.981 802 HD23 LEU 100 2HD2 LEU 100 11.357 4.607 -5.097 803 H SER 101 H SER 101 13.247 -0.452 -7.507 804 HA SER 101 HA SER 101 13.204 1.052 -10.013 805 HG SER 101 HG SER 101 15.395 -1.954 -9.601 806 HB2 SER 101 2HB SER 101 15.442 0.062 -10.265 807 HB3 SER 101 1HB SER 101 15.229 0.652 -8.622 808 H SER 102 HN SER 102 13.170 -2.414 -9.135 809 HA SER 102 HA SER 102 11.452 -3.081 -11.400 810 HG SER 102 HG SER 102 14.715 -4.378 -10.562 811 HB2 SER 102 2HB SER 102 13.301 -4.647 -12.327 812 HB3 SER 102 1HB SER 102 13.456 -2.927 -12.664 Start of MODEL 12 1 HA GLU 1 HA GLU 1 20.068 14.424 2.412 2 H1 GLU 1 1H GLU 1 18.785 16.440 2.446 3 H2 GLU 1 2H GLU 1 17.849 15.891 3.755 4 H3 GLU 1 3H GLU 1 17.711 15.144 2.236 5 HB2 GLU 1 2HB GLU 1 19.646 16.042 4.891 6 HB3 GLU 1 1HB GLU 1 20.701 14.634 5.019 7 HG2 GLU 1 2HG GLU 1 22.263 16.191 4.342 8 HG3 GLU 1 1HG GLU 1 21.706 15.656 2.757 9 H ALA 2 H ALA 2 19.965 12.214 2.644 10 HA ALA 2 HA ALA 2 18.240 11.057 4.798 11 HB1 ALA 2 3HB ALA 2 17.445 9.448 2.946 12 HB2 ALA 2 1HB ALA 2 18.126 10.610 1.807 13 HB3 ALA 2 2HB ALA 2 16.817 11.095 2.885 14 H TYR 3 H TYR 3 19.389 9.495 5.869 15 HA TYR 3 HA TYR 3 21.189 7.663 4.416 16 HD1 TYR 3 HD2 TYR 3 23.594 8.297 3.332 17 HD2 TYR 3 HD1 TYR 3 23.726 7.773 7.595 18 HE1 TYR 3 HE2 TYR 3 25.567 6.817 3.088 19 HE2 TYR 3 HE1 TYR 3 25.700 6.292 7.349 20 HH TYR 3 HH TYR 3 26.546 4.725 5.056 21 HB2 TYR 3 2HB TYR 3 22.414 9.858 4.936 22 HB3 TYR 3 1HB TYR 3 22.286 9.409 6.637 23 H VAL 4 H VAL 4 20.634 8.825 7.779 24 HA VAL 4 HA VAL 4 20.435 5.980 8.660 25 HB VAL 4 HB VAL 4 22.044 7.662 9.683 26 HG11 VAL 4 1HG1 VAL 4 20.308 9.542 9.612 27 HG12 VAL 4 2HG1 VAL 4 21.221 9.388 11.113 28 HG13 VAL 4 3HG1 VAL 4 19.569 8.778 11.019 29 HG21 VAL 4 3HG2 VAL 4 21.538 5.685 10.937 30 HG22 VAL 4 1HG2 VAL 4 19.943 6.293 11.380 31 HG23 VAL 4 2HG2 VAL 4 21.391 7.033 12.063 32 H GLN 5 H GLN 5 18.560 8.969 8.423 33 HA GLN 5 HA GLN 5 16.212 7.551 9.644 34 HB2 GLN 5 2HB GLN 5 17.381 9.776 10.555 35 HB3 GLN 5 1HB GLN 5 16.364 10.526 9.324 36 HG2 GLN 5 2HG GLN 5 14.385 9.360 10.302 37 HG3 GLN 5 1HG GLN 5 15.423 8.732 11.582 38 HE21 GLN 5 1HE2 GLN 5 15.166 9.963 13.453 39 HE22 GLN 5 2HE2 GLN 5 14.961 11.648 13.490 40 H GLY 6 H GLY 6 14.328 7.444 8.405 41 HA2 GLY 6 2HA GLY 6 13.127 8.878 6.534 42 HA3 GLY 6 1HA GLY 6 14.531 8.383 5.593 43 H TRP 7 H TRP 7 12.263 6.748 7.827 44 HA TRP 7 HA TRP 7 12.318 4.321 6.152 45 HD1 TRP 7 HD1 TRP 7 14.121 5.386 8.497 46 HE1 TRP 7 HE1 TRP 7 15.797 3.652 9.399 47 HE3 TRP 7 HE3 TRP 7 11.054 1.317 8.888 48 HZ2 TRP 7 HZ2 TRP 7 15.833 0.903 10.188 49 HZ3 TRP 7 HZ3 TRP 7 11.937 -0.843 9.720 50 HH2 TRP 7 HH2 TRP 7 14.320 -1.055 10.369 51 HB2 TRP 7 2HB TRP 7 11.171 5.153 8.815 52 HB3 TRP 7 1HB TRP 7 10.683 3.630 8.073 53 H GLU 8 H GLU 8 10.013 6.874 7.071 54 HA GLU 8 HA GLU 8 7.674 5.764 5.866 55 HB2 GLU 8 2HB GLU 8 8.622 8.585 6.440 56 HB3 GLU 8 1HB GLU 8 6.993 8.224 5.874 57 HG2 GLU 8 2HG GLU 8 8.286 7.223 8.426 58 HG3 GLU 8 1HG GLU 8 6.947 8.361 8.299 59 H ALA 9 H ALA 9 10.292 7.779 4.541 60 HA ALA 9 HA ALA 9 9.133 8.320 1.989 61 HB1 ALA 9 3HB ALA 9 12.060 7.885 2.650 62 HB2 ALA 9 1HB ALA 9 11.182 9.348 3.096 63 HB3 ALA 9 2HB ALA 9 11.395 8.932 1.396 64 H VAL 10 H VAL 10 11.127 5.604 3.162 65 HA VAL 10 HA VAL 10 11.333 4.244 0.625 66 HB VAL 10 HB VAL 10 11.438 3.228 3.492 67 HG11 VAL 10 1HG1 VAL 10 11.158 1.416 1.834 68 HG12 VAL 10 2HG1 VAL 10 12.766 1.377 2.554 69 HG13 VAL 10 3HG1 VAL 10 12.543 2.031 0.931 70 HG21 VAL 10 3HG2 VAL 10 13.432 4.267 3.644 71 HG22 VAL 10 1HG2 VAL 10 13.160 4.988 2.059 72 HG23 VAL 10 2HG2 VAL 10 13.994 3.442 2.191 73 H ALA 11 H ALA 11 9.069 4.006 3.367 74 HA ALA 11 HA ALA 11 7.475 1.854 2.320 75 HB1 ALA 11 3HB ALA 11 5.772 2.971 3.940 76 HB2 ALA 11 1HB ALA 11 7.074 4.106 4.298 77 HB3 ALA 11 2HB ALA 11 7.286 2.386 4.629 78 H ALA 12 H ALA 12 7.286 5.400 2.025 79 HA ALA 12 HA ALA 12 4.824 5.550 0.567 80 HB1 ALA 12 3HB ALA 12 7.244 7.364 0.353 81 HB2 ALA 12 1HB ALA 12 6.154 7.386 1.739 82 HB3 ALA 12 2HB ALA 12 5.553 7.811 0.136 83 H ALA 13 H ALA 13 8.220 5.186 -0.461 84 HA ALA 13 HA ALA 13 7.811 5.415 -3.276 85 HB1 ALA 13 3HB ALA 13 9.836 3.728 -1.774 86 HB2 ALA 13 1HB ALA 13 9.978 5.473 -1.986 87 HB3 ALA 13 2HB ALA 13 10.024 4.407 -3.391 88 H VAL 14 H VAL 14 7.658 2.599 -1.085 89 HA VAL 14 HA VAL 14 7.227 0.649 -3.177 90 HB VAL 14 HB VAL 14 6.478 0.623 -0.228 91 HG11 VAL 14 1HG1 VAL 14 5.384 -1.191 -1.395 92 HG12 VAL 14 2HG1 VAL 14 6.762 -1.866 -0.525 93 HG13 VAL 14 3HG1 VAL 14 6.865 -1.591 -2.264 94 HG21 VAL 14 3HG2 VAL 14 9.016 0.864 -1.371 95 HG22 VAL 14 1HG2 VAL 14 8.862 -0.861 -1.040 96 HG23 VAL 14 2HG2 VAL 14 8.666 0.307 0.266 97 H ALA 15 H ALA 15 5.077 2.579 -1.099 98 HA ALA 15 HA ALA 15 2.601 1.410 -1.978 99 HB1 ALA 15 3HB ALA 15 2.748 2.685 0.069 100 HB2 ALA 15 1HB ALA 15 1.703 3.590 -1.025 101 HB3 ALA 15 2HB ALA 15 3.378 4.089 -0.791 102 H SER 16 H SER 16 4.531 4.189 -3.134 103 HA SER 16 HA SER 16 2.636 5.116 -5.087 104 HG SER 16 HG SER 16 6.491 5.178 -4.603 105 HB2 SER 16 2HB SER 16 4.426 6.510 -5.778 106 HB3 SER 16 1HB SER 16 4.745 6.226 -4.071 107 H LYS 17 H LYS 17 5.232 2.678 -5.196 108 HA LYS 17 HA LYS 17 5.178 2.225 -8.032 109 HB2 LYS 17 2HB LYS 17 6.807 1.501 -6.064 110 HB3 LYS 17 1HB LYS 17 5.792 0.060 -6.043 111 HG2 LYS 17 2HG LYS 17 7.364 -0.589 -7.616 112 HG3 LYS 17 1HG LYS 17 6.174 0.170 -8.672 113 HD2 LYS 17 2HD LYS 17 7.627 2.349 -8.022 114 HD3 LYS 17 1HD LYS 17 8.880 1.116 -7.880 115 HE2 LYS 17 2HE LYS 17 8.016 0.288 -10.202 116 HE3 LYS 17 1HE LYS 17 7.280 1.899 -10.315 117 HZ1 LYS 17 3HZ LYS 17 9.449 2.863 -9.742 118 HZ2 LYS 17 1HZ LYS 17 9.525 1.968 -11.181 119 HZ3 LYS 17 2HZ LYS 17 10.144 1.310 -9.742 120 H ILE 18 H ILE 18 3.299 0.890 -5.324 121 HA ILE 18 HA ILE 18 1.973 -1.198 -6.784 122 HB ILE 18 HB ILE 18 1.516 0.372 -4.252 123 HG12 ILE 18 2HG1 ILE 18 2.014 -2.538 -4.948 124 HG13 ILE 18 1HG1 ILE 18 3.135 -1.428 -4.162 125 HG21 ILE 18 1HG2 ILE 18 -0.415 -1.597 -5.517 126 HG22 ILE 18 2HG2 ILE 18 -0.744 0.075 -5.063 127 HG23 ILE 18 3HG2 ILE 18 -0.466 -1.138 -3.815 128 HD11 ILE 18 3HD1 ILE 18 1.897 -1.411 -2.152 129 HD12 ILE 18 1HD1 ILE 18 1.831 -3.098 -2.662 130 HD13 ILE 18 2HD1 ILE 18 0.447 -2.041 -2.933 131 H VAL 19 H VAL 19 1.031 2.173 -6.015 132 HA VAL 19 HA VAL 19 -1.482 2.146 -7.396 133 HB VAL 19 HB VAL 19 0.492 4.276 -6.543 134 HG11 VAL 19 1HG1 VAL 19 -1.616 5.798 -6.945 135 HG12 VAL 19 2HG1 VAL 19 -2.059 4.550 -8.112 136 HG13 VAL 19 3HG1 VAL 19 -0.542 5.430 -8.294 137 HG21 VAL 19 3HG2 VAL 19 -2.216 3.325 -5.562 138 HG22 VAL 19 1HG2 VAL 19 -1.433 4.789 -4.965 139 HG23 VAL 19 2HG2 VAL 19 -0.672 3.217 -4.717 140 H GLY 20 H GLY 20 1.822 3.000 -8.448 141 HA2 GLY 20 2HA GLY 20 1.062 3.920 -11.074 142 HA3 GLY 20 1HA GLY 20 2.686 3.437 -10.587 143 H LEU 21 H LEU 21 1.591 0.730 -9.713 144 HA LEU 21 HA LEU 21 1.304 -0.463 -12.447 145 HG LEU 21 HG LEU 21 1.959 -2.799 -12.471 146 HB2 LEU 21 2HB LEU 21 3.467 -0.678 -11.005 147 HB3 LEU 21 1HB LEU 21 2.524 -1.815 -10.046 148 HD11 LEU 21 1HD1 LEU 21 3.374 -0.968 -13.525 149 HD12 LEU 21 2HD1 LEU 21 3.803 -2.611 -13.999 150 HD13 LEU 21 3HD1 LEU 21 4.781 -1.754 -12.809 151 HD21 LEU 21 3HD2 LEU 21 2.890 -4.238 -10.847 152 HD22 LEU 21 1HD2 LEU 21 4.353 -3.264 -10.695 153 HD23 LEU 21 2HD2 LEU 21 4.093 -4.246 -12.137 154 H TRP 22 H TRP 22 -0.893 0.306 -10.526 155 HA TRP 22 HA TRP 22 -1.890 -2.309 -9.551 156 HD1 TRP 22 HD1 TRP 22 -3.620 -3.078 -8.265 157 HE1 TRP 22 HE1 TRP 22 -6.074 -3.202 -7.482 158 HE3 TRP 22 HE3 TRP 22 -4.895 1.859 -8.565 159 HZ2 TRP 22 HZ2 TRP 22 -8.280 -1.443 -7.036 160 HZ3 TRP 22 HZ3 TRP 22 -7.178 2.605 -7.953 161 HH2 TRP 22 HH2 TRP 22 -8.870 0.962 -7.191 162 HB2 TRP 22 2HB TRP 22 -2.047 -0.359 -8.096 163 HB3 TRP 22 1HB TRP 22 -2.881 0.556 -9.350 164 H ARG 23 H ARG 23 -3.543 -3.421 -10.550 165 HA ARG 23 HA ARG 23 -4.586 -2.371 -13.136 166 HE ARG 23 HE ARG 23 -4.312 -4.089 -16.858 167 HB2 ARG 23 2HB ARG 23 -3.491 -4.750 -12.402 168 HB3 ARG 23 1HB ARG 23 -5.194 -5.113 -12.138 169 HG2 ARG 23 2HG ARG 23 -4.918 -5.693 -14.390 170 HG3 ARG 23 1HG ARG 23 -5.510 -4.036 -14.514 171 HD2 ARG 23 2HD ARG 23 -3.238 -3.188 -14.799 172 HD3 ARG 23 1HD ARG 23 -2.568 -4.810 -14.530 173 HH11 ARG 23 1HH2 ARG 23 -4.288 -6.986 -16.319 174 HH12 ARG 23 2HH2 ARG 23 -2.935 -7.546 -17.243 175 HH21 ARG 23 2HH1 ARG 23 -1.540 -4.383 -17.603 176 HH22 ARG 23 1HH1 ARG 23 -1.373 -6.067 -17.973 177 H ASN 24 H ASN 24 -7.027 -3.676 -13.292 178 HA ASN 24 HA ASN 24 -8.897 -2.044 -12.024 179 HB2 ASN 24 2HB ASN 24 -8.822 -4.696 -13.305 180 HB3 ASN 24 1HB ASN 24 -10.165 -4.503 -12.178 181 HD21 ASN 24 1HD2 ASN 24 -8.546 -2.394 -14.651 182 HD22 ASN 24 2HD2 ASN 24 -10.001 -1.857 -15.339 183 H GLU 25 H GLU 25 -7.551 -5.118 -10.777 184 HA GLU 25 HA GLU 25 -7.998 -4.242 -8.012 185 HB2 GLU 25 2HB GLU 25 -9.481 -6.188 -7.498 186 HB3 GLU 25 1HB GLU 25 -10.213 -5.070 -8.644 187 HG2 GLU 25 2HG GLU 25 -10.594 -6.955 -9.871 188 HG3 GLU 25 1HG GLU 25 -8.913 -6.756 -10.354 189 H LYS 26 H LYS 26 -5.695 -5.100 -9.673 190 HA LYS 26 HA LYS 26 -4.732 -7.326 -7.928 191 HB2 LYS 26 2HB LYS 26 -5.606 -8.179 -10.106 192 HB3 LYS 26 1HB LYS 26 -4.448 -7.148 -10.945 193 HG2 LYS 26 2HG LYS 26 -3.187 -8.790 -8.869 194 HG3 LYS 26 1HG LYS 26 -3.977 -9.758 -10.114 195 HD2 LYS 26 2HD LYS 26 -2.796 -8.170 -11.797 196 HD3 LYS 26 1HD LYS 26 -1.771 -7.727 -10.432 197 HE2 LYS 26 2HE LYS 26 -1.146 -10.100 -10.117 198 HE3 LYS 26 1HE LYS 26 -2.172 -10.549 -11.493 199 HZ1 LYS 26 3HZ LYS 26 -0.902 -9.027 -12.889 200 HZ2 LYS 26 1HZ LYS 26 0.117 -10.199 -12.205 201 HZ3 LYS 26 2HZ LYS 26 0.095 -8.622 -11.572 202 H THR 27 H THR 27 -2.477 -7.245 -7.518 203 HA THR 27 HA THR 27 -0.782 -5.269 -8.910 204 HB THR 27 HB THR 27 -2.025 -3.980 -7.188 205 HG1 THR 27 HG1 THR 27 0.088 -3.352 -7.587 206 HG21 THR 27 3HG2 THR 27 -1.442 -4.519 -4.760 207 HG22 THR 27 1HG2 THR 27 -0.859 -6.076 -5.346 208 HG23 THR 27 2HG2 THR 27 -2.554 -5.635 -5.551 209 H GLU 28 H GLU 28 1.526 -5.517 -8.190 210 HA GLU 28 HA GLU 28 2.025 -8.282 -7.140 211 HB2 GLU 28 2HB GLU 28 3.530 -6.439 -9.021 212 HB3 GLU 28 1HB GLU 28 4.215 -7.941 -8.403 213 HG2 GLU 28 2HG GLU 28 3.189 -9.015 -10.099 214 HG3 GLU 28 1HG GLU 28 1.652 -8.639 -9.323 215 H LEU 29 H LEU 29 3.764 -8.541 -5.608 216 HA LEU 29 HA LEU 29 4.992 -6.077 -4.482 217 HG LEU 29 HG LEU 29 2.902 -5.283 -3.893 218 HB2 LEU 29 2HB LEU 29 2.954 -7.844 -3.233 219 HB3 LEU 29 1HB LEU 29 4.284 -7.336 -2.193 220 HD11 LEU 29 1HD1 LEU 29 0.975 -6.196 -2.896 221 HD12 LEU 29 2HD1 LEU 29 1.439 -4.915 -1.776 222 HD13 LEU 29 3HD1 LEU 29 1.824 -6.594 -1.403 223 HD21 LEU 29 3HD2 LEU 29 3.783 -3.780 -2.334 224 HD22 LEU 29 1HD2 LEU 29 5.023 -5.033 -2.347 225 HD23 LEU 29 2HD2 LEU 29 3.831 -4.986 -1.048 226 H LEU 30 H LEU 30 7.146 -6.546 -4.403 227 HA LEU 30 HA LEU 30 9.164 -7.733 -4.172 228 HG LEU 30 HG LEU 30 10.378 -9.069 -2.598 229 HB2 LEU 30 2HB LEU 30 7.594 -8.074 -1.952 230 HB3 LEU 30 1HB LEU 30 7.916 -9.747 -2.405 231 HD11 LEU 30 1HD1 LEU 30 9.513 -6.763 -0.843 232 HD12 LEU 30 2HD1 LEU 30 9.733 -6.578 -2.583 233 HD13 LEU 30 3HD1 LEU 30 11.096 -7.048 -1.568 234 HD21 LEU 30 3HD2 LEU 30 9.114 -10.233 -0.614 235 HD22 LEU 30 1HD2 LEU 30 9.362 -8.694 0.210 236 HD23 LEU 30 2HD2 LEU 30 10.749 -9.626 -0.354 237 H GLY 31 H GLY 31 7.293 -8.607 -6.321 238 HA2 GLY 31 2HA GLY 31 7.484 -10.261 -7.998 239 HA3 GLY 31 1HA GLY 31 8.598 -11.143 -6.957 240 H HIS 32 H HIS 32 5.525 -10.174 -5.607 241 HA HIS 32 HA HIS 32 4.549 -12.994 -5.867 242 HD1 HIS 32 HD1 HIS 32 5.931 -14.367 -4.635 243 HD2 HIS 32 HD2 HIS 32 6.663 -11.168 -2.062 244 HE1 HIS 32 HE1 HIS 32 8.197 -14.791 -3.589 245 HB2 HIS 32 2HB HIS 32 4.352 -11.049 -3.545 246 HB3 HIS 32 1HB HIS 32 3.709 -12.685 -3.562 247 H GLU 33 H GLU 33 2.288 -13.221 -6.194 248 HA GLU 33 HA GLU 33 0.920 -10.953 -7.415 249 HB2 GLU 33 2HB GLU 33 0.826 -13.512 -7.918 250 HB3 GLU 33 1HB GLU 33 -0.329 -13.577 -6.587 251 HG2 GLU 33 2HG GLU 33 -1.936 -12.956 -8.038 252 HG3 GLU 33 1HG GLU 33 -1.137 -11.390 -8.172 253 H CYS 34 H CYS 34 -0.509 -9.570 -6.443 254 HA CYS 34 HA CYS 34 -1.613 -10.270 -3.753 255 HB2 CYS 34 2HB CYS 34 -0.242 -7.728 -4.666 256 HB3 CYS 34 1HB CYS 34 -1.136 -7.860 -3.155 257 H LYS 35 H LYS 35 -3.536 -8.878 -3.222 258 HA LYS 35 HA LYS 35 -4.990 -8.047 -5.711 259 HB2 LYS 35 2HB LYS 35 -5.605 -10.115 -4.153 260 HB3 LYS 35 1HB LYS 35 -6.379 -8.857 -3.192 261 HG2 LYS 35 2HG LYS 35 -8.085 -9.539 -4.669 262 HG3 LYS 35 1HG LYS 35 -7.436 -8.089 -5.435 263 HD2 LYS 35 2HD LYS 35 -6.788 -9.258 -7.250 264 HD3 LYS 35 1HD LYS 35 -5.930 -10.431 -6.250 265 HE2 LYS 35 2HE LYS 35 -7.849 -11.807 -6.012 266 HE3 LYS 35 1HE LYS 35 -8.944 -10.510 -6.530 267 HZ1 LYS 35 3HZ LYS 35 -8.503 -12.076 -8.340 268 HZ2 LYS 35 1HZ LYS 35 -6.840 -11.760 -8.224 269 HZ3 LYS 35 2HZ LYS 35 -7.908 -10.525 -8.707 270 H PHE 36 H PHE 36 -5.436 -5.905 -5.785 271 HA PHE 36 HA PHE 36 -5.694 -4.380 -3.210 272 HD1 PHE 36 HD1 PHE 36 -6.249 -1.458 -4.974 273 HD2 PHE 36 HD2 PHE 36 -2.611 -2.677 -3.041 274 HE1 PHE 36 HE1 PHE 36 -6.142 0.721 -3.801 275 HE2 PHE 36 HE2 PHE 36 -2.507 -0.495 -1.868 276 HZ PHE 36 HZ PHE 36 -4.273 1.203 -2.251 277 HB2 PHE 36 2HB PHE 36 -3.585 -4.083 -4.633 278 HB3 PHE 36 1HB PHE 36 -4.620 -3.369 -5.864 279 H THR 37 H THR 37 -7.742 -3.506 -3.022 280 HA THR 37 HA THR 37 -9.223 -2.827 -5.542 281 HB THR 37 HB THR 37 -11.251 -3.707 -4.349 282 HG1 THR 37 HG1 THR 37 -11.048 -4.586 -2.405 283 HG21 THR 37 3HG2 THR 37 -9.707 -5.070 -5.903 284 HG22 THR 37 1HG2 THR 37 -10.808 -5.972 -4.861 285 HG23 THR 37 2HG2 THR 37 -9.105 -5.824 -4.428 286 H VAL 38 H VAL 38 -10.766 -1.100 -5.339 287 HA VAL 38 HA VAL 38 -10.433 0.616 -2.901 288 HB VAL 38 HB VAL 38 -9.301 1.311 -5.089 289 HG11 VAL 38 1HG1 VAL 38 -11.396 0.568 -6.430 290 HG12 VAL 38 2HG1 VAL 38 -10.591 2.060 -6.913 291 HG13 VAL 38 3HG1 VAL 38 -12.071 2.127 -5.958 292 HG21 VAL 38 3HG2 VAL 38 -9.783 3.622 -4.734 293 HG22 VAL 38 1HG2 VAL 38 -9.997 2.847 -3.165 294 HG23 VAL 38 2HG2 VAL 38 -11.405 3.266 -4.139 295 H LYS 39 H LYS 39 -12.372 1.495 -2.049 296 HA LYS 39 HA LYS 39 -14.901 1.088 -3.568 297 HB2 LYS 39 2HB LYS 39 -13.908 -0.633 -1.547 298 HB3 LYS 39 1HB LYS 39 -15.229 0.277 -0.814 299 HG2 LYS 39 2HG LYS 39 -16.668 -0.315 -2.769 300 HG3 LYS 39 1HG LYS 39 -15.355 -1.318 -3.390 301 HD2 LYS 39 2HD LYS 39 -16.250 -2.995 -2.165 302 HD3 LYS 39 1HD LYS 39 -15.595 -2.161 -0.757 303 HE2 LYS 39 2HE LYS 39 -17.869 -2.371 -0.180 304 HE3 LYS 39 1HE LYS 39 -17.837 -0.756 -0.916 305 HZ1 LYS 39 3HZ LYS 39 -18.379 -1.763 -3.055 306 HZ2 LYS 39 1HZ LYS 39 -19.581 -2.110 -1.909 307 HZ3 LYS 39 2HZ LYS 39 -18.447 -3.301 -2.334 308 HA PRO 40 HA PRO 40 -15.176 5.078 -1.444 309 HB2 PRO 40 2HB PRO 40 -16.954 6.188 -3.194 310 HB3 PRO 40 1HB PRO 40 -15.211 6.113 -3.515 311 HG2 PRO 40 2HG PRO 40 -17.407 4.447 -4.601 312 HG3 PRO 40 1HG PRO 40 -15.905 4.977 -5.369 313 HD2 PRO 40 2HD PRO 40 -16.361 2.450 -4.329 314 HD3 PRO 40 1HD PRO 40 -14.761 3.155 -4.643 315 H TYR 41 H TYR 41 -17.036 6.158 -0.361 316 HA TYR 41 HA TYR 41 -19.507 4.475 -0.190 317 HD1 TYR 41 HD1 TYR 41 -19.326 2.505 0.767 318 HD2 TYR 41 HD2 TYR 41 -16.093 4.502 2.767 319 HE1 TYR 41 HE1 TYR 41 -18.095 0.357 0.921 320 HE2 TYR 41 HE2 TYR 41 -14.864 2.356 2.919 321 HH TYR 41 HH TYR 41 -16.009 -0.431 2.811 322 HB2 TYR 41 2HB TYR 41 -17.934 5.749 2.067 323 HB3 TYR 41 1HB TYR 41 -19.446 4.881 2.254 324 H LEU 42 H LEU 42 -21.083 5.908 1.334 325 HA LEU 42 HA LEU 42 -20.921 8.788 0.668 326 HG LEU 42 HG LEU 42 -22.123 9.910 -0.550 327 HB2 LEU 42 2HB LEU 42 -21.995 7.177 -1.165 328 HB3 LEU 42 1HB LEU 42 -23.410 7.334 -0.125 329 HD11 LEU 42 1HD1 LEU 42 -21.465 8.935 -2.704 330 HD12 LEU 42 2HD1 LEU 42 -22.744 10.125 -2.943 331 HD13 LEU 42 3HD1 LEU 42 -23.124 8.403 -2.986 332 HD21 LEU 42 3HD2 LEU 42 -24.432 9.518 0.300 333 HD22 LEU 42 1HD2 LEU 42 -24.877 8.855 -1.272 334 HD23 LEU 42 2HD2 LEU 42 -24.418 10.552 -1.129 335 H LYS 43 H LYS 43 -22.581 10.038 1.791 336 HA LYS 43 HA LYS 43 -24.000 8.610 4.005 337 HB2 LYS 43 2HB LYS 43 -21.651 9.890 4.352 338 HB3 LYS 43 1HB LYS 43 -22.737 11.271 4.486 339 HG2 LYS 43 2HG LYS 43 -23.945 9.241 6.011 340 HG3 LYS 43 1HG LYS 43 -22.228 9.153 6.403 341 HD2 LYS 43 2HD LYS 43 -23.670 11.802 6.347 342 HD3 LYS 43 1HD LYS 43 -23.702 10.781 7.784 343 HE2 LYS 43 2HE LYS 43 -21.061 11.409 6.468 344 HE3 LYS 43 1HE LYS 43 -21.804 12.579 7.576 345 HZ1 LYS 43 3HZ LYS 43 -20.464 11.086 8.859 346 HZ2 LYS 43 1HZ LYS 43 -21.186 9.726 8.147 347 HZ3 LYS 43 2HZ LYS 43 -22.092 10.727 9.179 348 H ARG 44 H ARG 44 -25.542 10.341 5.090 349 HA ARG 44 HA ARG 44 -27.597 11.130 3.428 350 HE ARG 44 HE ARG 44 -28.719 9.121 8.065 351 HB2 ARG 44 2HB ARG 44 -26.481 12.189 6.007 352 HB3 ARG 44 1HB ARG 44 -27.867 12.993 5.272 353 HG2 ARG 44 2HG ARG 44 -29.220 11.060 5.421 354 HG3 ARG 44 1HG ARG 44 -27.830 10.004 5.682 355 HD2 ARG 44 2HD ARG 44 -27.427 11.161 7.878 356 HD3 ARG 44 1HD ARG 44 -28.941 12.054 7.630 357 HH11 ARG 44 2HH1 ARG 44 -30.422 10.927 9.761 358 HH12 ARG 44 1HH1 ARG 44 -32.005 10.634 9.122 359 HH21 ARG 44 1HH2 ARG 44 -30.839 9.163 6.197 360 HH22 ARG 44 2HH2 ARG 44 -32.242 9.631 7.097 361 H PHE 45 H PHE 45 -24.632 12.966 4.078 362 HA PHE 45 HA PHE 45 -25.081 14.587 1.660 363 HD1 PHE 45 HD1 PHE 45 -24.053 17.859 2.139 364 HD2 PHE 45 HD2 PHE 45 -27.844 15.889 2.588 365 HE1 PHE 45 HE1 PHE 45 -25.075 19.460 0.546 366 HE2 PHE 45 HE2 PHE 45 -28.866 17.491 0.995 367 HZ PHE 45 HZ PHE 45 -27.480 19.276 -0.026 368 HB2 PHE 45 2HB PHE 45 -26.010 15.456 4.139 369 HB3 PHE 45 1HB PHE 45 -24.459 16.281 3.974 370 H GLN 46 H GLN 46 -23.059 12.643 2.302 371 HA GLN 46 HA GLN 46 -20.640 14.359 2.114 372 HB2 GLN 46 2HB GLN 46 -21.486 12.758 4.440 373 HB3 GLN 46 1HB GLN 46 -19.832 12.439 3.922 374 HG2 GLN 46 2HG GLN 46 -19.114 14.578 4.404 375 HG3 GLN 46 1HG GLN 46 -20.697 15.293 4.102 376 HE21 GLN 46 1HE2 GLN 46 -18.635 13.902 6.564 377 HE22 GLN 46 2HE2 GLN 46 -19.723 14.088 7.855 378 H VAL 47 H VAL 47 -18.844 13.255 1.171 379 HA VAL 47 HA VAL 47 -19.419 10.519 0.064 380 HB VAL 47 HB VAL 47 -18.066 12.960 -1.143 381 HG11 VAL 47 1HG1 VAL 47 -17.619 11.590 -3.117 382 HG12 VAL 47 2HG1 VAL 47 -18.347 10.185 -2.339 383 HG13 VAL 47 3HG1 VAL 47 -16.843 10.860 -1.712 384 HG21 VAL 47 3HG2 VAL 47 -20.497 13.014 -1.282 385 HG22 VAL 47 1HG2 VAL 47 -20.534 11.354 -1.877 386 HG23 VAL 47 2HG2 VAL 47 -19.851 12.635 -2.878 387 H TYR 48 H TYR 48 -17.728 9.027 0.327 388 HA TYR 48 HA TYR 48 -15.138 10.064 1.417 389 HD1 TYR 48 HD2 TYR 48 -14.286 10.097 3.901 390 HD2 TYR 48 HD1 TYR 48 -18.527 9.474 3.580 391 HE1 TYR 48 HE2 TYR 48 -14.680 11.884 5.575 392 HE2 TYR 48 HE1 TYR 48 -18.917 11.258 5.252 393 HH TYR 48 HH TYR 48 -16.407 12.575 7.162 394 HB2 TYR 48 2HB TYR 48 -17.036 7.986 2.500 395 HB3 TYR 48 1HB TYR 48 -15.327 7.955 2.933 396 H TYR 49 H TYR 49 -13.324 8.606 1.075 397 HA TYR 49 HA TYR 49 -13.790 6.563 -1.069 398 HD1 TYR 49 HD2 TYR 49 -14.299 9.387 -2.065 399 HD2 TYR 49 HD1 TYR 49 -11.218 6.807 -3.581 400 HE1 TYR 49 HE2 TYR 49 -15.216 9.638 -4.354 401 HE2 TYR 49 HE1 TYR 49 -12.133 7.061 -5.871 402 HH TYR 49 HH TYR 49 -15.075 8.020 -6.574 403 HB2 TYR 49 2HB TYR 49 -12.028 8.900 -0.829 404 HB3 TYR 49 1HB TYR 49 -11.179 7.440 -1.327 405 H LYS 50 H LYS 50 -13.015 4.536 -0.585 406 HA LYS 50 HA LYS 50 -11.021 4.264 1.637 407 HB2 LYS 50 2HB LYS 50 -13.553 3.815 2.087 408 HB3 LYS 50 1HB LYS 50 -13.286 2.336 1.167 409 HG2 LYS 50 2HG LYS 50 -11.125 2.507 2.970 410 HG3 LYS 50 1HG LYS 50 -12.559 2.932 3.904 411 HD2 LYS 50 2HD LYS 50 -13.655 0.862 2.819 412 HD3 LYS 50 1HD LYS 50 -12.019 0.396 2.357 413 HE2 LYS 50 2HE LYS 50 -12.247 -0.668 4.441 414 HE3 LYS 50 1HE LYS 50 -11.487 0.866 4.908 415 HZ1 LYS 50 3HZ LYS 50 -13.447 0.486 6.252 416 HZ2 LYS 50 1HZ LYS 50 -14.408 0.295 4.867 417 HZ3 LYS 50 2HZ LYS 50 -13.716 1.808 5.218 418 H GLY 51 H GLY 51 -9.851 2.150 1.539 419 HA2 GLY 51 2HA GLY 51 -10.038 0.607 -0.939 420 HA3 GLY 51 1HA GLY 51 -8.566 1.563 -0.801 421 H ARG 52 H ARG 52 -9.145 -1.421 -0.714 422 HA ARG 52 HA ARG 52 -7.633 -2.003 1.805 423 HE ARG 52 HE ARG 52 -11.808 -4.412 2.800 424 HB2 ARG 52 2HB ARG 52 -10.220 -2.975 0.753 425 HB3 ARG 52 1HB ARG 52 -9.138 -4.252 1.308 426 HG2 ARG 52 2HG ARG 52 -8.945 -2.249 3.261 427 HG3 ARG 52 1HG ARG 52 -10.662 -2.336 2.870 428 HD2 ARG 52 2HD ARG 52 -9.262 -4.948 3.189 429 HD3 ARG 52 1HD ARG 52 -9.515 -3.994 4.664 430 HH11 ARG 52 1HH2 ARG 52 -11.901 -3.105 5.581 431 HH12 ARG 52 2HH2 ARG 52 -12.598 -4.385 6.517 432 HH21 ARG 52 2HH1 ARG 52 -11.994 -6.824 4.113 433 HH22 ARG 52 1HH1 ARG 52 -12.649 -6.501 5.683 434 H MET 53 H MET 53 -6.029 -3.661 1.554 435 HA MET 53 HA MET 53 -5.823 -5.018 -1.075 436 HB2 MET 53 2HB MET 53 -3.725 -4.066 -1.618 437 HB3 MET 53 1HB MET 53 -4.683 -2.705 -1.048 438 HG2 MET 53 2HG MET 53 -2.859 -2.316 0.269 439 HG3 MET 53 1HG MET 53 -3.593 -3.544 1.300 440 HE1 MET 53 3HE MET 53 0.153 -3.139 -0.666 441 HE2 MET 53 1HE MET 53 -1.375 -2.405 -1.176 442 HE3 MET 53 2HE MET 53 -0.742 -3.812 -2.026 443 H TRP 54 H TRP 54 -4.299 -6.787 -1.057 444 HA TRP 54 HA TRP 54 -2.908 -7.558 1.395 445 HD1 TRP 54 HD1 TRP 54 -4.948 -11.007 -0.400 446 HE1 TRP 54 HE1 TRP 54 -7.000 -10.987 -1.964 447 HE3 TRP 54 HE3 TRP 54 -7.040 -6.537 0.931 448 HZ2 TRP 54 HZ2 TRP 54 -9.229 -9.303 -2.569 449 HZ3 TRP 54 HZ3 TRP 54 -9.123 -5.752 -0.157 450 HH2 TRP 54 HH2 TRP 54 -10.220 -7.127 -1.904 451 HB2 TRP 54 2HB TRP 54 -4.352 -9.578 1.764 452 HB3 TRP 54 1HB TRP 54 -5.219 -8.068 2.021 453 H CYS 55 H CYS 55 -2.143 -9.997 1.080 454 HA CYS 55 HA CYS 55 -1.592 -10.447 -1.829 455 HB2 CYS 55 2HB CYS 55 0.230 -10.480 0.568 456 HB3 CYS 55 1HB CYS 55 0.695 -11.209 -0.962 457 HA PRO 56 HA PRO 56 -3.266 -14.343 -0.151 458 HB2 PRO 56 2HB PRO 56 -4.567 -15.077 -2.444 459 HB3 PRO 56 1HB PRO 56 -5.268 -13.969 -1.249 460 HG2 PRO 56 2HG PRO 56 -4.036 -13.380 -3.877 461 HG3 PRO 56 1HG PRO 56 -5.363 -12.564 -3.041 462 HD2 PRO 56 2HD PRO 56 -2.753 -11.652 -3.166 463 HD3 PRO 56 1HD PRO 56 -3.955 -11.139 -1.979 464 H GLY 57 H GLY 57 -0.931 -14.973 -0.223 465 HA2 GLY 57 2HA GLY 57 -0.233 -17.277 -1.426 466 HA3 GLY 57 1HA GLY 57 0.062 -16.140 -2.741 467 H TRP 58 H TRP 58 1.073 -13.952 -1.382 468 HA TRP 58 HA TRP 58 3.815 -14.708 -0.911 469 HD1 TRP 58 HD1 TRP 58 5.557 -13.883 0.116 470 HE1 TRP 58 HE1 TRP 58 7.313 -12.185 0.937 471 HE3 TRP 58 HE3 TRP 58 2.975 -9.533 -0.579 472 HZ2 TRP 58 HZ2 TRP 58 7.589 -9.359 1.253 473 HZ3 TRP 58 HZ3 TRP 58 4.009 -7.355 -0.011 474 HH2 TRP 58 HH2 TRP 58 6.310 -7.263 0.901 475 HB2 TRP 58 2HB TRP 58 3.059 -12.544 -1.827 476 HB3 TRP 58 1HB TRP 58 2.250 -12.175 -0.313 477 H THR 59 H THR 59 1.397 -13.280 1.322 478 HA THR 59 HA THR 59 2.420 -14.962 3.528 479 HB THR 59 HB THR 59 3.878 -12.951 3.415 480 HG1 THR 59 HG1 THR 59 3.520 -13.718 5.452 481 HG21 THR 59 3HG2 THR 59 3.064 -10.758 3.482 482 HG22 THR 59 1HG2 THR 59 1.501 -11.254 4.129 483 HG23 THR 59 2HG2 THR 59 1.891 -11.558 2.437 484 H ALA 60 H ALA 60 1.114 -13.715 5.624 485 HA ALA 60 HA ALA 60 -1.761 -13.775 4.770 486 HB1 ALA 60 3HB ALA 60 -1.073 -15.736 6.053 487 HB2 ALA 60 1HB ALA 60 -2.117 -14.735 7.064 488 HB3 ALA 60 2HB ALA 60 -0.370 -14.709 7.303 489 H ILE 61 H ILE 61 -0.529 -11.315 4.661 490 HA ILE 61 HA ILE 61 -1.486 -9.923 7.140 491 HB ILE 61 HB ILE 61 0.946 -9.635 5.394 492 HG12 ILE 61 2HG1 ILE 61 0.714 -9.173 8.364 493 HG13 ILE 61 1HG1 ILE 61 0.738 -10.815 7.718 494 HG21 ILE 61 1HG2 ILE 61 0.046 -7.399 5.278 495 HG22 ILE 61 2HG2 ILE 61 1.329 -7.381 6.487 496 HG23 ILE 61 3HG2 ILE 61 -0.360 -7.414 6.994 497 HD11 ILE 61 3HD1 ILE 61 2.837 -8.755 7.007 498 HD12 ILE 61 1HD1 ILE 61 2.894 -10.496 6.731 499 HD13 ILE 61 2HD1 ILE 61 3.009 -9.859 8.372 500 H ARG 62 H ARG 62 -2.649 -7.943 6.772 501 HA ARG 62 HA ARG 62 -3.351 -7.386 3.920 502 HE ARG 62 HE ARG 62 -6.221 -5.511 6.516 503 HB2 ARG 62 2HB ARG 62 -5.666 -6.852 4.916 504 HB3 ARG 62 1HB ARG 62 -5.215 -8.546 4.788 505 HG2 ARG 62 2HG ARG 62 -4.911 -8.781 7.084 506 HG3 ARG 62 1HG ARG 62 -4.566 -7.066 7.315 507 HD2 ARG 62 2HD ARG 62 -7.304 -8.027 6.441 508 HD3 ARG 62 1HD ARG 62 -6.862 -7.866 8.153 509 HH11 ARG 62 1HH2 ARG 62 -6.937 -5.706 9.510 510 HH12 ARG 62 2HH2 ARG 62 -8.472 -4.905 9.521 511 HH21 ARG 62 2HH1 ARG 62 -8.883 -5.094 6.075 512 HH22 ARG 62 1HH1 ARG 62 -9.581 -4.555 7.564 513 H GLY 63 H GLY 63 -4.288 -5.186 3.626 514 HA2 GLY 63 2HA GLY 63 -3.486 -3.209 5.696 515 HA3 GLY 63 1HA GLY 63 -2.795 -3.040 4.084 516 H GLU 64 H GLU 64 -4.591 -1.176 5.469 517 HA GLU 64 HA GLU 64 -6.601 -0.891 3.317 518 HB2 GLU 64 2HB GLU 64 -7.796 -2.268 4.855 519 HB3 GLU 64 1HB GLU 64 -7.215 -1.357 6.245 520 HG2 GLU 64 2HG GLU 64 -8.481 0.632 5.404 521 HG3 GLU 64 1HG GLU 64 -9.124 -0.366 4.100 522 H ALA 65 H ALA 65 -7.579 1.244 3.341 523 HA ALA 65 HA ALA 65 -6.728 3.277 5.255 524 HB1 ALA 65 3HB ALA 65 -4.686 2.709 3.827 525 HB2 ALA 65 1HB ALA 65 -5.140 4.411 3.867 526 HB3 ALA 65 2HB ALA 65 -5.555 3.422 2.469 527 H SER 66 H SER 66 -7.851 5.246 4.936 528 HA SER 66 HA SER 66 -9.601 5.460 2.520 529 HG SER 66 HG SER 66 -10.414 4.042 5.690 530 HB2 SER 66 2HB SER 66 -10.584 6.090 5.297 531 HB3 SER 66 1HB SER 66 -11.529 5.753 3.854 532 H THR 67 H THR 67 -10.048 7.622 1.912 533 HA THR 67 HA THR 67 -9.419 9.916 3.571 534 HB THR 67 HB THR 67 -7.159 8.881 2.953 535 HG1 THR 67 HG1 THR 67 -6.457 10.830 3.177 536 HG21 THR 67 3HG2 THR 67 -7.344 10.185 0.294 537 HG22 THR 67 1HG2 THR 67 -8.176 8.640 0.461 538 HG23 THR 67 2HG2 THR 67 -6.447 8.750 0.786 539 H ARG 68 H ARG 68 -9.471 11.984 2.148 540 HA ARG 68 HA ARG 68 -11.817 11.911 0.469 541 HE ARG 68 HE ARG 68 -8.364 14.524 3.049 542 HB2 ARG 68 2HB ARG 68 -11.381 14.296 0.247 543 HB3 ARG 68 1HB ARG 68 -11.031 13.807 1.901 544 HG2 ARG 68 2HG ARG 68 -8.599 13.575 1.206 545 HG3 ARG 68 1HG ARG 68 -9.042 14.346 -0.316 546 HD2 ARG 68 2HD ARG 68 -8.687 16.328 0.738 547 HD3 ARG 68 1HD ARG 68 -10.175 15.999 1.647 548 HH11 ARG 68 1HH2 ARG 68 -6.095 16.119 2.054 549 HH12 ARG 68 2HH2 ARG 68 -6.014 17.433 3.180 550 HH21 ARG 68 2HH1 ARG 68 -9.226 16.916 4.409 551 HH22 ARG 68 1HH1 ARG 68 -7.796 17.886 4.521 552 H SER 69 H SER 69 -8.342 12.241 -0.289 553 HA SER 69 HA SER 69 -8.669 12.626 -3.116 554 HG SER 69 HG SER 69 -5.752 11.654 -0.644 555 HB2 SER 69 2HB SER 69 -6.188 11.379 -2.655 556 HB3 SER 69 1HB SER 69 -6.499 13.107 -2.732 557 H GLN 70 H GLN 70 -8.823 11.164 -4.786 558 HA GLN 70 HA GLN 70 -9.681 8.447 -4.240 559 HB2 GLN 70 2HB GLN 70 -10.553 9.776 -6.093 560 HB3 GLN 70 1HB GLN 70 -8.934 9.953 -6.770 561 HG2 GLN 70 2HG GLN 70 -8.808 7.651 -7.354 562 HG3 GLN 70 1HG GLN 70 -10.189 7.237 -6.338 563 HE21 GLN 70 1HE2 GLN 70 -9.438 9.380 -9.159 564 HE22 GLN 70 2HE2 GLN 70 -10.926 9.116 -9.932 565 H SER 71 H SER 71 -6.789 9.777 -5.919 566 HA SER 71 HA SER 71 -5.472 7.202 -6.134 567 HG SER 71 HG SER 71 -4.667 9.470 -8.602 568 HB2 SER 71 2HB SER 71 -4.387 10.033 -6.273 569 HB3 SER 71 1HB SER 71 -3.590 8.594 -6.901 570 H GLY 72 H GLY 72 -5.356 9.883 -3.818 571 HA2 GLY 72 2HA GLY 72 -3.053 9.084 -2.349 572 HA3 GLY 72 1HA GLY 72 -4.370 10.061 -1.702 573 H VAL 73 H VAL 73 -6.460 8.061 -2.085 574 HA VAL 73 HA VAL 73 -6.199 6.611 0.371 575 HB VAL 73 HB VAL 73 -8.251 7.331 -1.181 576 HG11 VAL 73 1HG1 VAL 73 -7.976 4.396 -1.867 577 HG12 VAL 73 2HG1 VAL 73 -7.528 5.689 -2.977 578 HG13 VAL 73 3HG1 VAL 73 -9.199 5.527 -2.446 579 HG21 VAL 73 3HG2 VAL 73 -8.183 6.255 1.162 580 HG22 VAL 73 1HG2 VAL 73 -8.452 4.724 0.327 581 HG23 VAL 73 2HG2 VAL 73 -9.646 6.016 0.208 582 H ALA 74 H ALA 74 -5.606 5.647 -3.007 583 HA ALA 74 HA ALA 74 -5.155 2.849 -2.451 584 HB1 ALA 74 3HB ALA 74 -4.034 2.998 -4.732 585 HB2 ALA 74 1HB ALA 74 -4.321 4.737 -4.674 586 HB3 ALA 74 2HB ALA 74 -5.684 3.617 -4.681 587 H GLY 75 H GLY 75 -3.034 5.701 -2.589 588 HA2 GLY 75 2HA GLY 75 -0.561 4.286 -2.309 589 HA3 GLY 75 1HA GLY 75 -0.804 5.989 -1.922 590 H LYS 76 H LYS 76 -2.860 5.620 0.054 591 HA LYS 76 HA LYS 76 -1.248 5.108 2.381 592 HB2 LYS 76 2HB LYS 76 -3.382 6.573 1.959 593 HB3 LYS 76 1HB LYS 76 -4.258 5.092 2.340 594 HG2 LYS 76 2HG LYS 76 -3.535 5.063 4.543 595 HG3 LYS 76 1HG LYS 76 -2.047 5.934 4.175 596 HD2 LYS 76 2HD LYS 76 -4.043 7.752 3.501 597 HD3 LYS 76 1HD LYS 76 -4.660 6.984 4.964 598 HE2 LYS 76 2HE LYS 76 -1.777 7.804 4.948 599 HE3 LYS 76 1HE LYS 76 -3.004 9.074 5.123 600 HZ1 LYS 76 3HZ LYS 76 -3.972 7.950 6.955 601 HZ2 LYS 76 1HZ LYS 76 -2.304 7.994 7.258 602 HZ3 LYS 76 2HZ LYS 76 -3.027 6.558 6.706 603 H THR 77 H THR 77 -3.763 3.168 0.700 604 HA THR 77 HA THR 77 -3.876 1.027 2.592 605 HB THR 77 HB THR 77 -4.221 0.986 -0.427 606 HG1 THR 77 HG1 THR 77 -6.161 1.412 1.596 607 HG21 THR 77 3HG2 THR 77 -5.801 -0.715 1.451 608 HG22 THR 77 1HG2 THR 77 -4.142 -1.193 1.098 609 HG23 THR 77 2HG2 THR 77 -5.312 -1.035 -0.211 610 H ALA 78 H ALA 78 -1.724 1.617 -0.176 611 HA ALA 78 HA ALA 78 -0.335 -0.933 0.083 612 HB1 ALA 78 3HB ALA 78 -0.437 0.121 -2.067 613 HB2 ALA 78 1HB ALA 78 1.236 0.292 -1.535 614 HB3 ALA 78 2HB ALA 78 0.128 1.658 -1.411 615 H LYS 79 H LYS 79 0.209 2.410 1.179 616 HA LYS 79 HA LYS 79 2.883 1.987 2.188 617 HB2 LYS 79 2HB LYS 79 1.358 4.133 1.681 618 HB3 LYS 79 1HB LYS 79 1.017 3.984 3.405 619 HG2 LYS 79 2HG LYS 79 3.456 3.983 3.872 620 HG3 LYS 79 1HG LYS 79 3.773 4.186 2.148 621 HD2 LYS 79 2HD LYS 79 2.171 6.116 3.855 622 HD3 LYS 79 1HD LYS 79 3.851 6.349 3.375 623 HE2 LYS 79 2HE LYS 79 2.757 5.875 0.935 624 HE3 LYS 79 1HE LYS 79 1.372 6.626 1.751 625 HZ1 LYS 79 3HZ LYS 79 4.099 7.761 1.965 626 HZ2 LYS 79 1HZ LYS 79 2.615 8.513 2.291 627 HZ3 LYS 79 2HZ LYS 79 3.064 8.184 0.686 628 H ASP 80 H ASP 80 -0.369 1.748 3.650 629 HA ASP 80 HA ASP 80 0.541 1.248 6.344 630 HB2 ASP 80 2HB ASP 80 -1.982 0.916 4.748 631 HB3 ASP 80 1HB ASP 80 -1.882 0.134 6.324 632 H PHE 81 H PHE 81 -0.091 -0.834 3.536 633 HA PHE 81 HA PHE 81 0.103 -3.360 4.921 634 HD1 PHE 81 HD2 PHE 81 2.475 -4.359 2.004 635 HD2 PHE 81 HD1 PHE 81 -1.597 -5.250 3.041 636 HE1 PHE 81 HE2 PHE 81 2.907 -6.771 1.629 637 HE2 PHE 81 HE1 PHE 81 -1.164 -7.662 2.664 638 HZ PHE 81 HZ PHE 81 1.087 -8.422 1.957 639 HB2 PHE 81 2HB PHE 81 -0.916 -2.983 2.678 640 HB3 PHE 81 1HB PHE 81 0.680 -2.597 2.034 641 H VAL 82 H VAL 82 2.486 -1.306 3.216 642 HA VAL 82 HA VAL 82 4.708 -3.121 3.500 643 HB VAL 82 HB VAL 82 4.553 -0.100 3.180 644 HG11 VAL 82 1HG1 VAL 82 6.888 -0.905 1.989 645 HG12 VAL 82 2HG1 VAL 82 6.820 -1.991 3.377 646 HG13 VAL 82 3HG1 VAL 82 6.786 -0.245 3.622 647 HG21 VAL 82 3HG2 VAL 82 3.707 -2.079 1.446 648 HG22 VAL 82 1HG2 VAL 82 5.361 -1.789 0.907 649 HG23 VAL 82 2HG2 VAL 82 4.205 -0.459 0.962 650 H ARG 83 H ARG 83 3.393 -0.518 5.541 651 HA ARG 83 HA ARG 83 5.515 -0.411 7.471 652 HE ARG 83 HE ARG 83 5.341 3.965 8.583 653 HB2 ARG 83 2HB ARG 83 3.047 0.813 6.964 654 HB3 ARG 83 1HB ARG 83 2.816 0.013 8.519 655 HG2 ARG 83 2HG ARG 83 4.596 1.203 9.527 656 HG3 ARG 83 1HG ARG 83 5.269 1.685 7.968 657 HD2 ARG 83 2HD ARG 83 3.160 3.032 7.565 658 HD3 ARG 83 1HD ARG 83 2.707 2.698 9.248 659 HH11 ARG 83 2HH1 ARG 83 4.452 3.231 11.420 660 HH12 ARG 83 1HH1 ARG 83 3.919 4.769 12.008 661 HH21 ARG 83 1HH2 ARG 83 3.766 6.214 8.848 662 HH22 ARG 83 2HH2 ARG 83 3.526 6.466 10.546 663 H LYS 84 H LYS 84 2.540 -2.386 7.277 664 HA LYS 84 HA LYS 84 2.893 -3.739 9.802 665 HB2 LYS 84 2HB LYS 84 1.201 -3.846 7.405 666 HB3 LYS 84 1HB LYS 84 1.502 -5.445 8.086 667 HG2 LYS 84 2HG LYS 84 -0.454 -4.600 9.183 668 HG3 LYS 84 1HG LYS 84 0.865 -4.477 10.349 669 HD2 LYS 84 2HD LYS 84 1.189 -2.095 9.679 670 HD3 LYS 84 1HD LYS 84 -0.208 -2.233 8.611 671 HE2 LYS 84 2HE LYS 84 -0.569 -3.065 11.467 672 HE3 LYS 84 1HE LYS 84 -0.496 -1.328 11.108 673 HZ1 LYS 84 3HZ LYS 84 -2.765 -2.267 10.894 674 HZ2 LYS 84 1HZ LYS 84 -2.207 -3.273 9.646 675 HZ3 LYS 84 2HZ LYS 84 -2.188 -1.583 9.450 676 H ALA 85 H ALA 85 3.895 -4.469 6.464 677 HA ALA 85 HA ALA 85 5.045 -7.053 7.023 678 HB1 ALA 85 3HB ALA 85 4.358 -6.188 4.787 679 HB2 ALA 85 1HB ALA 85 6.036 -6.730 4.788 680 HB3 ALA 85 2HB ALA 85 5.665 -5.008 4.863 681 H PHE 86 H PHE 86 6.294 -3.728 7.078 682 HA PHE 86 HA PHE 86 9.083 -4.366 7.413 683 HD1 PHE 86 HD2 PHE 86 10.802 -2.888 8.635 684 HD2 PHE 86 HD1 PHE 86 8.610 -0.928 5.503 685 HE1 PHE 86 HE2 PHE 86 12.933 -2.148 7.606 686 HE2 PHE 86 HE1 PHE 86 10.742 -0.185 4.477 687 HZ PHE 86 HZ PHE 86 12.902 -0.794 5.529 688 HB2 PHE 86 2HB PHE 86 7.445 -2.105 7.128 689 HB3 PHE 86 1HB PHE 86 8.155 -1.921 8.728 690 H GLN 87 H GLN 87 6.372 -3.932 9.678 691 HA GLN 87 HA GLN 87 7.836 -3.891 12.130 692 HB2 GLN 87 2HB GLN 87 5.212 -3.735 11.284 693 HB3 GLN 87 1HB GLN 87 5.235 -5.284 12.127 694 HG2 GLN 87 2HG GLN 87 6.266 -4.161 14.098 695 HG3 GLN 87 1HG GLN 87 6.134 -2.616 13.257 696 HE21 GLN 87 1HE2 GLN 87 4.102 -1.549 13.321 697 HE22 GLN 87 2HE2 GLN 87 2.707 -2.223 14.015 698 H LYS 88 H LYS 88 6.566 -6.613 10.194 699 HA LYS 88 HA LYS 88 7.498 -8.627 12.115 700 HB2 LYS 88 2HB LYS 88 5.473 -8.967 10.792 701 HB3 LYS 88 1HB LYS 88 6.378 -8.748 9.294 702 HG2 LYS 88 2HG LYS 88 7.159 -10.874 9.321 703 HG3 LYS 88 1HG LYS 88 7.527 -10.806 11.044 704 HD2 LYS 88 2HD LYS 88 4.830 -10.839 11.175 705 HD3 LYS 88 1HD LYS 88 5.057 -11.731 9.670 706 HE2 LYS 88 2HE LYS 88 6.484 -12.407 12.272 707 HE3 LYS 88 1HE LYS 88 5.030 -13.237 11.681 708 HZ1 LYS 88 3HZ LYS 88 6.945 -14.428 10.903 709 HZ2 LYS 88 1HZ LYS 88 7.647 -13.015 10.283 710 HZ3 LYS 88 2HZ LYS 88 6.238 -13.646 9.571 711 H GLY 89 H GLY 89 8.308 -7.961 8.681 712 HA2 GLY 89 2HA GLY 89 10.909 -7.605 8.479 713 HA3 GLY 89 1HA GLY 89 10.942 -9.245 9.114 714 H LEU 90 H LEU 90 8.880 -7.659 6.644 715 HA LEU 90 HA LEU 90 9.597 -9.900 4.791 716 HG LEU 90 HG LEU 90 7.375 -10.709 6.257 717 HB2 LEU 90 2HB LEU 90 7.091 -8.428 5.465 718 HB3 LEU 90 1HB LEU 90 7.287 -8.944 3.792 719 HD11 LEU 90 1HD1 LEU 90 5.117 -10.052 5.496 720 HD12 LEU 90 2HD1 LEU 90 5.409 -11.767 5.205 721 HD13 LEU 90 3HD1 LEU 90 5.501 -10.619 3.870 722 HD21 LEU 90 3HD2 LEU 90 8.942 -11.750 4.869 723 HD22 LEU 90 1HD2 LEU 90 8.161 -11.183 3.392 724 HD23 LEU 90 2HD2 LEU 90 7.445 -12.502 4.321 725 H ILE 91 H ILE 91 8.749 -6.414 4.876 726 HA ILE 91 HA ILE 91 10.109 -6.084 2.239 727 HB ILE 91 HB ILE 91 8.130 -4.369 3.783 728 HG12 ILE 91 2HG1 ILE 91 7.749 -5.812 1.146 729 HG13 ILE 91 1HG1 ILE 91 7.343 -6.552 2.695 730 HG21 ILE 91 1HG2 ILE 91 9.268 -3.990 0.993 731 HG22 ILE 91 2HG2 ILE 91 9.684 -3.011 2.400 732 HG23 ILE 91 3HG2 ILE 91 8.042 -2.978 1.758 733 HD11 ILE 91 3HD1 ILE 91 5.305 -5.586 2.124 734 HD12 ILE 91 1HD1 ILE 91 6.065 -4.211 1.324 735 HD13 ILE 91 2HD1 ILE 91 6.029 -4.297 3.085 736 H SER 92 H SER 92 12.283 -6.014 3.105 737 HA SER 92 HA SER 92 13.066 -4.232 5.255 738 HG SER 92 HG SER 92 14.686 -7.262 4.066 739 HB2 SER 92 2HB SER 92 14.714 -5.426 3.000 740 HB3 SER 92 1HB SER 92 15.316 -4.877 4.560 741 H GLN 93 H GLN 93 14.554 -2.345 4.884 742 HA GLN 93 HA GLN 93 13.447 -0.381 3.139 743 HB2 GLN 93 2HB GLN 93 14.800 -0.019 5.223 744 HB3 GLN 93 1HB GLN 93 16.234 -0.535 4.337 745 HG2 GLN 93 2HG GLN 93 14.595 1.602 3.072 746 HG3 GLN 93 1HG GLN 93 15.494 2.054 4.520 747 HE21 GLN 93 1HE2 GLN 93 15.817 2.100 1.242 748 HE22 GLN 93 2HE2 GLN 93 17.497 1.899 1.108 749 H GLN 94 H GLN 94 16.511 -2.222 2.832 750 HA GLN 94 HA GLN 94 17.234 -1.217 0.243 751 HB2 GLN 94 2HB GLN 94 18.259 -2.919 2.227 752 HB3 GLN 94 1HB GLN 94 18.098 -3.947 0.805 753 HG2 GLN 94 2HG GLN 94 19.856 -2.957 -0.197 754 HG3 GLN 94 1HG GLN 94 19.177 -1.352 0.078 755 HE21 GLN 94 1HE2 GLN 94 20.655 -0.105 1.237 756 HE22 GLN 94 2HE2 GLN 94 21.616 -0.671 2.517 757 H GLU 95 H GLU 95 15.420 -4.130 1.245 758 HA GLU 95 HA GLU 95 15.110 -5.338 -1.313 759 HB2 GLU 95 2HB GLU 95 13.922 -5.450 1.371 760 HB3 GLU 95 1HB GLU 95 12.786 -5.891 0.099 761 HG2 GLU 95 2HG GLU 95 13.748 -7.950 0.309 762 HG3 GLU 95 1HG GLU 95 14.995 -7.252 -0.723 763 H ALA 96 H ALA 96 13.125 -2.869 0.341 764 HA ALA 96 HA ALA 96 11.040 -2.691 -1.605 765 HB1 ALA 96 3HB ALA 96 11.178 -0.192 -0.557 766 HB2 ALA 96 1HB ALA 96 12.179 -1.057 0.609 767 HB3 ALA 96 2HB ALA 96 10.512 -1.561 0.334 768 H ASN 97 H ASN 97 14.166 -0.975 -1.329 769 HA ASN 97 HA ASN 97 13.822 0.759 -3.591 770 HB2 ASN 97 2HB ASN 97 15.558 1.201 -2.004 771 HB3 ASN 97 1HB ASN 97 16.203 -0.435 -2.149 772 HD21 ASN 97 1HD2 ASN 97 17.967 -0.643 -3.554 773 HD22 ASN 97 2HD2 ASN 97 18.353 0.453 -4.791 774 H GLN 98 H GLN 98 15.223 -2.517 -3.272 775 HA GLN 98 HA GLN 98 16.086 -2.834 -5.978 776 HB2 GLN 98 2HB GLN 98 15.806 -4.376 -3.572 777 HB3 GLN 98 1HB GLN 98 15.137 -5.315 -4.906 778 HG2 GLN 98 2HG GLN 98 17.766 -3.925 -5.296 779 HG3 GLN 98 1HG GLN 98 17.725 -5.424 -4.369 780 HE21 GLN 98 1HE2 GLN 98 16.593 -4.094 -7.533 781 HE22 GLN 98 2HE2 GLN 98 16.757 -5.561 -8.370 782 H TRP 99 H TRP 99 12.951 -3.477 -4.408 783 HA TRP 99 HA TRP 99 11.638 -4.649 -6.685 784 HD1 TRP 99 HD1 TRP 99 9.723 -6.177 -6.502 785 HE1 TRP 99 HE1 TRP 99 7.231 -6.089 -7.162 786 HE3 TRP 99 HE3 TRP 99 8.360 -1.806 -4.247 787 HZ2 TRP 99 HZ2 TRP 99 4.964 -4.396 -6.778 788 HZ3 TRP 99 HZ3 TRP 99 6.035 -0.988 -4.399 789 HH2 TRP 99 HH2 TRP 99 4.332 -2.271 -5.660 790 HB2 TRP 99 2HB TRP 99 10.924 -4.729 -4.277 791 HB3 TRP 99 1HB TRP 99 10.502 -3.022 -4.382 792 H LEU 100 H LEU 100 11.990 -1.312 -5.526 793 HA LEU 100 HA LEU 100 10.225 -0.043 -7.405 794 HG LEU 100 HG LEU 100 9.953 0.435 -5.097 795 HB2 LEU 100 2HB LEU 100 12.564 0.790 -5.693 796 HB3 LEU 100 1HB LEU 100 11.857 1.937 -6.826 797 HD11 LEU 100 1HD1 LEU 100 11.447 2.820 -3.998 798 HD12 LEU 100 2HD1 LEU 100 11.959 1.167 -3.655 799 HD13 LEU 100 3HD1 LEU 100 10.365 1.720 -3.145 800 HD21 LEU 100 3HD2 LEU 100 8.636 2.045 -5.967 801 HD22 LEU 100 1HD2 LEU 100 10.029 2.785 -6.755 802 HD23 LEU 100 2HD2 LEU 100 9.586 3.260 -5.114 803 H SER 101 H SER 101 13.711 -0.813 -7.539 804 HA SER 101 HA SER 101 14.098 0.476 -10.129 805 HG SER 101 HG SER 101 16.796 0.915 -8.473 806 HB2 SER 101 2HB SER 101 15.779 -1.458 -8.505 807 HB3 SER 101 1HB SER 101 16.351 -0.561 -9.908 808 H SER 102 HN SER 102 14.083 -2.930 -9.007 809 HA SER 102 HA SER 102 13.621 -4.935 -10.131 810 HG SER 102 HG SER 102 12.702 -2.477 -12.571 811 HB2 SER 102 2HB SER 102 11.669 -4.822 -11.359 812 HB3 SER 102 1HB SER 102 11.626 -3.219 -10.638 Start of MODEL 13 1 HA GLU 1 HA GLU 1 17.889 21.363 2.242 2 H1 GLU 1 1H GLU 1 16.099 23.633 1.572 3 H2 GLU 1 2H GLU 1 16.967 22.629 0.512 4 H3 GLU 1 3H GLU 1 17.787 23.770 1.467 5 HB2 GLU 1 2HB GLU 1 17.563 22.210 4.625 6 HB3 GLU 1 1HB GLU 1 18.615 23.200 3.618 7 HG2 GLU 1 2HG GLU 1 17.135 24.952 3.558 8 HG3 GLU 1 1HG GLU 1 15.723 23.897 3.571 9 H ALA 2 H ALA 2 16.056 20.171 1.214 10 HA ALA 2 HA ALA 2 13.403 20.353 2.488 11 HB1 ALA 2 3HB ALA 2 12.855 18.638 0.805 12 HB2 ALA 2 1HB ALA 2 14.567 18.441 0.434 13 HB3 ALA 2 2HB ALA 2 13.751 19.959 0.057 14 H TYR 3 H TYR 3 12.591 18.881 3.988 15 HA TYR 3 HA TYR 3 14.493 17.181 5.425 16 HD1 TYR 3 HD1 TYR 3 14.211 16.560 7.942 17 HD2 TYR 3 HD2 TYR 3 10.314 15.897 6.260 18 HE1 TYR 3 HE1 TYR 3 13.897 14.607 9.435 19 HE2 TYR 3 HE2 TYR 3 10.000 13.945 7.754 20 HH TYR 3 HH TYR 3 12.142 12.296 9.093 21 HB2 TYR 3 2HB TYR 3 12.825 18.387 6.663 22 HB3 TYR 3 1HB TYR 3 11.530 17.793 5.625 23 H VAL 4 H VAL 4 14.495 14.895 5.470 24 HA VAL 4 HA VAL 4 12.581 13.446 3.702 25 HB VAL 4 HB VAL 4 14.708 14.170 2.491 26 HG11 VAL 4 1HG1 VAL 4 16.074 11.952 3.996 27 HG12 VAL 4 2HG1 VAL 4 16.094 13.593 4.640 28 HG13 VAL 4 3HG1 VAL 4 16.789 13.260 3.055 29 HG21 VAL 4 3HG2 VAL 4 14.414 11.167 2.723 30 HG22 VAL 4 1HG2 VAL 4 14.893 12.100 1.306 31 HG23 VAL 4 2HG2 VAL 4 13.232 12.177 1.891 32 H GLN 5 H GLN 5 12.323 11.223 4.296 33 HA GLN 5 HA GLN 5 13.362 10.547 7.019 34 HB2 GLN 5 2HB GLN 5 11.001 9.663 5.336 35 HB3 GLN 5 1HB GLN 5 11.433 8.868 6.850 36 HG2 GLN 5 2HG GLN 5 11.007 10.806 8.132 37 HG3 GLN 5 1HG GLN 5 11.056 11.858 6.718 38 HE21 GLN 5 1HE2 GLN 5 9.284 10.869 4.935 39 HE22 GLN 5 2HE2 GLN 5 7.741 10.661 5.611 40 H GLY 6 H GLY 6 13.650 8.040 7.283 41 HA2 GLY 6 2HA GLY 6 15.345 7.096 5.030 42 HA3 GLY 6 1HA GLY 6 15.466 6.530 6.694 43 H TRP 7 H TRP 7 13.344 5.450 7.506 44 HA TRP 7 HA TRP 7 12.753 3.188 5.817 45 HD1 TRP 7 HD1 TRP 7 14.669 3.069 7.425 46 HE1 TRP 7 HE1 TRP 7 15.539 0.885 8.480 47 HE3 TRP 7 HE3 TRP 7 10.312 1.221 9.345 48 HZ2 TRP 7 HZ2 TRP 7 14.522 -1.349 9.949 49 HZ3 TRP 7 HZ3 TRP 7 10.292 -0.932 10.568 50 HH2 TRP 7 HH2 TRP 7 12.389 -2.219 10.873 51 HB2 TRP 7 2HB TRP 7 11.914 4.305 8.456 52 HB3 TRP 7 1HB TRP 7 10.834 3.122 7.722 53 H GLU 8 H GLU 8 11.011 6.208 6.536 54 HA GLU 8 HA GLU 8 8.556 5.519 5.205 55 HB2 GLU 8 2HB GLU 8 9.860 7.822 6.451 56 HB3 GLU 8 1HB GLU 8 8.889 8.291 5.056 57 HG2 GLU 8 2HG GLU 8 7.229 8.307 6.651 58 HG3 GLU 8 1HG GLU 8 7.146 6.604 6.196 59 H ALA 9 H ALA 9 11.584 7.014 4.084 60 HA ALA 9 HA ALA 9 10.652 7.732 1.459 61 HB1 ALA 9 3HB ALA 9 13.288 7.309 2.837 62 HB2 ALA 9 1HB ALA 9 12.630 8.786 2.132 63 HB3 ALA 9 2HB ALA 9 13.267 7.517 1.086 64 H VAL 10 H VAL 10 12.283 4.832 2.751 65 HA VAL 10 HA VAL 10 12.461 3.458 0.209 66 HB VAL 10 HB VAL 10 12.469 2.522 3.103 67 HG11 VAL 10 1HG1 VAL 10 13.861 0.614 1.854 68 HG12 VAL 10 2HG1 VAL 10 12.811 1.071 0.512 69 HG13 VAL 10 3HG1 VAL 10 12.110 0.509 2.030 70 HG21 VAL 10 3HG2 VAL 10 14.781 2.912 1.178 71 HG22 VAL 10 1HG2 VAL 10 14.876 2.567 2.905 72 HG23 VAL 10 2HG2 VAL 10 14.277 4.129 2.350 73 H ALA 11 H ALA 11 10.102 3.489 2.863 74 HA ALA 11 HA ALA 11 8.374 1.447 1.795 75 HB1 ALA 11 3HB ALA 11 7.590 3.809 3.521 76 HB2 ALA 11 1HB ALA 11 8.543 2.469 4.160 77 HB3 ALA 11 2HB ALA 11 6.916 2.180 3.548 78 H ALA 12 H ALA 12 8.482 5.002 1.494 79 HA ALA 12 HA ALA 12 6.081 5.372 0.003 80 HB1 ALA 12 3HB ALA 12 8.732 6.851 0.028 81 HB2 ALA 12 1HB ALA 12 7.327 7.197 1.038 82 HB3 ALA 12 2HB ALA 12 7.256 7.484 -0.700 83 H ALA 13 H ALA 13 9.420 4.645 -1.044 84 HA ALA 13 HA ALA 13 9.008 4.823 -3.857 85 HB1 ALA 13 3HB ALA 13 11.007 3.237 -3.857 86 HB2 ALA 13 1HB ALA 13 10.846 3.169 -2.102 87 HB3 ALA 13 2HB ALA 13 11.220 4.700 -2.895 88 H VAL 14 H VAL 14 8.637 2.081 -1.597 89 HA VAL 14 HA VAL 14 7.914 0.110 -3.550 90 HB VAL 14 HB VAL 14 7.049 0.389 -0.647 91 HG11 VAL 14 1HG1 VAL 14 6.961 -2.097 -0.734 92 HG12 VAL 14 2HG1 VAL 14 7.322 -2.031 -2.460 93 HG13 VAL 14 3HG1 VAL 14 5.813 -1.354 -1.847 94 HG21 VAL 14 3HG2 VAL 14 9.247 -1.436 -1.159 95 HG22 VAL 14 1HG2 VAL 14 9.169 -0.082 -0.031 96 HG23 VAL 14 2HG2 VAL 14 9.652 0.190 -1.705 97 H ALA 15 H ALA 15 5.928 2.345 -1.587 98 HA ALA 15 HA ALA 15 3.365 1.500 -2.539 99 HB1 ALA 15 3HB ALA 15 4.589 3.860 -1.189 100 HB2 ALA 15 1HB ALA 15 3.213 2.873 -0.691 101 HB3 ALA 15 2HB ALA 15 3.007 4.112 -1.930 102 H SER 16 H SER 16 5.682 3.924 -3.770 103 HA SER 16 HA SER 16 4.035 5.020 -5.839 104 HG SER 16 HG SER 16 5.983 5.843 -7.627 105 HB2 SER 16 2HB SER 16 6.307 5.773 -4.813 106 HB3 SER 16 1HB SER 16 7.033 4.675 -5.984 107 H LYS 17 H LYS 17 6.250 2.218 -5.778 108 HA LYS 17 HA LYS 17 6.093 1.633 -8.591 109 HB2 LYS 17 2HB LYS 17 7.809 0.829 -6.916 110 HB3 LYS 17 1HB LYS 17 6.584 -0.265 -6.270 111 HG2 LYS 17 2HG LYS 17 6.604 -1.618 -8.140 112 HG3 LYS 17 1HG LYS 17 7.050 -0.299 -9.221 113 HD2 LYS 17 2HD LYS 17 9.330 -0.361 -8.514 114 HD3 LYS 17 1HD LYS 17 8.950 -1.406 -7.144 115 HE2 LYS 17 2HE LYS 17 9.300 -3.229 -8.440 116 HE3 LYS 17 1HE LYS 17 8.018 -2.693 -9.542 117 HZ1 LYS 17 3HZ LYS 17 10.422 -2.852 -10.432 118 HZ2 LYS 17 1HZ LYS 17 10.673 -1.397 -9.600 119 HZ3 LYS 17 2HZ LYS 17 9.496 -1.483 -10.825 120 H ILE 18 H ILE 18 4.091 0.718 -5.798 121 HA ILE 18 HA ILE 18 2.544 -1.341 -7.029 122 HB ILE 18 HB ILE 18 2.097 0.653 -4.800 123 HG12 ILE 18 2HG1 ILE 18 2.536 -2.350 -4.940 124 HG13 ILE 18 1HG1 ILE 18 3.675 -1.144 -4.340 125 HG21 ILE 18 1HG2 ILE 18 -0.120 0.208 -5.741 126 HG22 ILE 18 2HG2 ILE 18 0.048 -0.650 -4.210 127 HG23 ILE 18 3HG2 ILE 18 0.198 -1.527 -5.732 128 HD11 ILE 18 3HD1 ILE 18 0.989 -1.852 -3.125 129 HD12 ILE 18 1HD1 ILE 18 2.017 -0.533 -2.566 130 HD13 ILE 18 2HD1 ILE 18 2.576 -2.201 -2.439 131 H VAL 19 H VAL 19 1.922 2.187 -6.762 132 HA VAL 19 HA VAL 19 -0.531 2.211 -8.235 133 HB VAL 19 HB VAL 19 1.653 4.223 -7.650 134 HG11 VAL 19 1HG1 VAL 19 -0.785 4.513 -9.380 135 HG12 VAL 19 2HG1 VAL 19 0.822 5.205 -9.594 136 HG13 VAL 19 3HG1 VAL 19 -0.273 5.875 -8.384 137 HG21 VAL 19 3HG2 VAL 19 0.059 5.101 -6.072 138 HG22 VAL 19 1HG2 VAL 19 0.081 3.352 -5.848 139 HG23 VAL 19 2HG2 VAL 19 -1.238 4.110 -6.740 140 H GLY 20 H GLY 20 2.863 2.509 -9.289 141 HA2 GLY 20 2HA GLY 20 2.266 3.066 -12.055 142 HA3 GLY 20 1HA GLY 20 3.814 2.489 -11.437 143 H LEU 21 H LEU 21 2.504 0.089 -10.181 144 HA LEU 21 HA LEU 21 2.110 -1.498 -12.688 145 HG LEU 21 HG LEU 21 2.415 -3.947 -12.158 146 HB2 LEU 21 2HB LEU 21 4.171 -1.736 -11.122 147 HB3 LEU 21 1HB LEU 21 3.058 -2.552 -10.026 148 HD11 LEU 21 1HD1 LEU 21 4.133 -4.160 -13.808 149 HD12 LEU 21 2HD1 LEU 21 5.261 -3.194 -12.858 150 HD13 LEU 21 3HD1 LEU 21 3.863 -2.428 -13.614 151 HD21 LEU 21 3HD2 LEU 21 3.380 -5.110 -10.351 152 HD22 LEU 21 1HD2 LEU 21 4.889 -4.202 -10.452 153 HD23 LEU 21 2HD2 LEU 21 4.509 -5.421 -11.669 154 H TRP 22 H TRP 22 -0.099 -0.189 -11.255 155 HA TRP 22 HA TRP 22 -1.450 -2.444 -9.866 156 HD1 TRP 22 HD1 TRP 22 -3.267 -2.846 -8.692 157 HE1 TRP 22 HE1 TRP 22 -5.724 -2.610 -7.950 158 HE3 TRP 22 HE3 TRP 22 -3.962 2.146 -9.517 159 HZ2 TRP 22 HZ2 TRP 22 -7.722 -0.570 -7.724 160 HZ3 TRP 22 HZ3 TRP 22 -6.148 3.208 -9.029 161 HH2 TRP 22 HH2 TRP 22 -8.024 1.858 -8.134 162 HB2 TRP 22 2HB TRP 22 -1.404 -0.250 -8.775 163 HB3 TRP 22 1HB TRP 22 -2.118 0.499 -10.201 164 H ARG 23 H ARG 23 -3.142 -3.524 -10.799 165 HA ARG 23 HA ARG 23 -3.974 -2.778 -13.563 166 HE ARG 23 HE ARG 23 -0.745 -7.041 -11.902 167 HB2 ARG 23 2HB ARG 23 -4.658 -5.287 -12.003 168 HB3 ARG 23 1HB ARG 23 -4.563 -5.092 -13.750 169 HG2 ARG 23 2HG ARG 23 -2.118 -4.741 -13.575 170 HG3 ARG 23 1HG ARG 23 -2.217 -4.997 -11.832 171 HD2 ARG 23 2HD ARG 23 -3.199 -7.273 -12.278 172 HD3 ARG 23 1HD ARG 23 -2.881 -7.013 -14.005 173 HH11 ARG 23 1HH2 ARG 23 -0.292 -5.662 -14.620 174 HH12 ARG 23 2HH2 ARG 23 0.535 -6.915 -15.481 175 HH21 ARG 23 2HH1 ARG 23 -0.358 -9.413 -13.233 176 HH22 ARG 23 1HH1 ARG 23 0.494 -9.047 -14.696 177 H ASN 24 H ASN 24 -6.552 -3.854 -13.615 178 HA ASN 24 HA ASN 24 -8.257 -1.864 -12.653 179 HB2 ASN 24 2HB ASN 24 -8.478 -4.729 -13.434 180 HB3 ASN 24 1HB ASN 24 -9.855 -4.052 -12.569 181 HD21 ASN 24 1HD2 ASN 24 -11.052 -2.285 -13.606 182 HD22 ASN 24 2HD2 ASN 24 -10.847 -1.939 -15.255 183 H GLU 25 H GLU 25 -7.300 -4.874 -10.979 184 HA GLU 25 HA GLU 25 -7.739 -3.618 -8.356 185 HB2 GLU 25 2HB GLU 25 -9.447 -5.287 -7.687 186 HB3 GLU 25 1HB GLU 25 -10.000 -4.326 -9.058 187 HG2 GLU 25 2HG GLU 25 -8.666 -6.451 -10.263 188 HG3 GLU 25 1HG GLU 25 -9.487 -7.204 -8.895 189 H LYS 26 H LYS 26 -5.453 -4.817 -9.741 190 HA LYS 26 HA LYS 26 -4.706 -6.842 -7.700 191 HB2 LYS 26 2HB LYS 26 -5.809 -7.815 -9.849 192 HB3 LYS 26 1HB LYS 26 -4.292 -7.381 -10.635 193 HG2 LYS 26 2HG LYS 26 -3.027 -8.772 -9.105 194 HG3 LYS 26 1HG LYS 26 -4.466 -9.089 -8.136 195 HD2 LYS 26 2HD LYS 26 -4.909 -9.753 -10.937 196 HD3 LYS 26 1HD LYS 26 -3.532 -10.635 -10.276 197 HE2 LYS 26 2HE LYS 26 -5.380 -12.027 -9.747 198 HE3 LYS 26 1HE LYS 26 -5.121 -11.115 -8.246 199 HZ1 LYS 26 3HZ LYS 26 -6.985 -10.331 -10.432 200 HZ2 LYS 26 1HZ LYS 26 -6.741 -9.485 -8.982 201 HZ3 LYS 26 2HZ LYS 26 -7.452 -11.027 -8.954 202 H THR 27 H THR 27 -2.349 -7.156 -7.621 203 HA THR 27 HA THR 27 -0.619 -5.491 -9.332 204 HB THR 27 HB THR 27 -1.628 -4.004 -7.526 205 HG1 THR 27 HG1 THR 27 0.448 -3.638 -8.524 206 HG21 THR 27 3HG2 THR 27 -1.506 -5.902 -5.797 207 HG22 THR 27 1HG2 THR 27 -1.022 -4.296 -5.253 208 HG23 THR 27 2HG2 THR 27 0.205 -5.498 -5.651 209 H GLU 28 H GLU 28 1.740 -5.650 -8.259 210 HA GLU 28 HA GLU 28 2.090 -8.448 -7.229 211 HB2 GLU 28 2HB GLU 28 3.166 -7.007 -9.583 212 HB3 GLU 28 1HB GLU 28 4.354 -7.942 -8.676 213 HG2 GLU 28 2HG GLU 28 3.436 -9.938 -9.279 214 HG3 GLU 28 1HG GLU 28 1.785 -9.328 -9.155 215 H LEU 29 H LEU 29 3.660 -8.677 -5.601 216 HA LEU 29 HA LEU 29 5.264 -6.263 -4.873 217 HG LEU 29 HG LEU 29 3.261 -5.277 -4.327 218 HB2 LEU 29 2HB LEU 29 3.199 -7.754 -3.313 219 HB3 LEU 29 1HB LEU 29 4.605 -7.158 -2.433 220 HD11 LEU 29 1HD1 LEU 29 1.281 -5.959 -3.278 221 HD12 LEU 29 2HD1 LEU 29 1.811 -4.628 -2.250 222 HD13 LEU 29 3HD1 LEU 29 2.093 -6.295 -1.748 223 HD21 LEU 29 3HD2 LEU 29 5.369 -4.880 -2.861 224 HD22 LEU 29 1HD2 LEU 29 4.237 -4.779 -1.513 225 HD23 LEU 29 2HD2 LEU 29 4.118 -3.639 -2.853 226 H LEU 30 H LEU 30 7.381 -6.874 -4.722 227 HA LEU 30 HA LEU 30 9.303 -8.196 -4.448 228 HG LEU 30 HG LEU 30 10.358 -9.800 -2.925 229 HB2 LEU 30 2HB LEU 30 7.799 -8.354 -2.209 230 HB3 LEU 30 1HB LEU 30 7.820 -10.058 -2.661 231 HD11 LEU 30 1HD1 LEU 30 11.080 -7.877 -1.222 232 HD12 LEU 30 2HD1 LEU 30 9.579 -7.144 -1.787 233 HD13 LEU 30 3HD1 LEU 30 10.855 -7.540 -2.938 234 HD21 LEU 30 3HD2 LEU 30 8.907 -10.683 -0.874 235 HD22 LEU 30 1HD2 LEU 30 9.592 -9.263 -0.081 236 HD23 LEU 30 2HD2 LEU 30 10.656 -10.506 -0.739 237 H GLY 31 H GLY 31 7.304 -8.964 -6.562 238 HA2 GLY 31 2HA GLY 31 7.398 -10.633 -8.239 239 HA3 GLY 31 1HA GLY 31 8.450 -11.584 -7.194 240 H HIS 32 H HIS 32 5.506 -10.439 -5.747 241 HA HIS 32 HA HIS 32 4.346 -13.190 -5.998 242 HD1 HIS 32 HD1 HIS 32 5.505 -14.650 -4.584 243 HD2 HIS 32 HD2 HIS 32 6.509 -11.319 -2.288 244 HE1 HIS 32 HE1 HIS 32 7.722 -15.181 -3.481 245 HB2 HIS 32 2HB HIS 32 4.207 -11.138 -3.765 246 HB3 HIS 32 1HB HIS 32 3.443 -12.722 -3.734 247 H GLU 33 H GLU 33 1.927 -13.214 -5.842 248 HA GLU 33 HA GLU 33 0.756 -11.000 -7.416 249 HB2 GLU 33 2HB GLU 33 0.286 -13.838 -6.907 250 HB3 GLU 33 1HB GLU 33 -1.207 -12.904 -6.805 251 HG2 GLU 33 2HG GLU 33 -0.160 -11.788 -9.023 252 HG3 GLU 33 1HG GLU 33 0.569 -13.388 -9.145 253 H CYS 34 H CYS 34 -0.593 -9.465 -6.539 254 HA CYS 34 HA CYS 34 -1.629 -9.893 -3.771 255 HB2 CYS 34 2HB CYS 34 -0.161 -7.511 -4.924 256 HB3 CYS 34 1HB CYS 34 -0.986 -7.486 -3.368 257 H LYS 35 H LYS 35 -3.403 -8.318 -3.245 258 HA LYS 35 HA LYS 35 -4.985 -7.603 -5.691 259 HB2 LYS 35 2HB LYS 35 -5.755 -9.515 -4.208 260 HB3 LYS 35 1HB LYS 35 -6.002 -8.325 -2.930 261 HG2 LYS 35 2HG LYS 35 -8.111 -8.278 -3.853 262 HG3 LYS 35 1HG LYS 35 -7.342 -7.079 -4.891 263 HD2 LYS 35 2HD LYS 35 -7.787 -8.365 -6.682 264 HD3 LYS 35 1HD LYS 35 -6.777 -9.640 -6.002 265 HE2 LYS 35 2HE LYS 35 -8.867 -10.716 -6.217 266 HE3 LYS 35 1HE LYS 35 -8.912 -10.159 -4.533 267 HZ1 LYS 35 3HZ LYS 35 -9.981 -8.106 -5.299 268 HZ2 LYS 35 1HZ LYS 35 -10.917 -9.469 -5.680 269 HZ3 LYS 35 2HZ LYS 35 -10.002 -8.704 -6.891 270 H PHE 36 H PHE 36 -5.098 -5.420 -5.922 271 HA PHE 36 HA PHE 36 -5.313 -3.705 -3.469 272 HD1 PHE 36 HD2 PHE 36 -5.314 -1.078 -6.034 273 HD2 PHE 36 HD1 PHE 36 -2.305 -1.970 -3.104 274 HE1 PHE 36 HE2 PHE 36 -5.196 1.319 -5.434 275 HE2 PHE 36 HE1 PHE 36 -2.183 0.433 -2.506 276 HZ PHE 36 HZ PHE 36 -3.629 2.075 -3.673 277 HB2 PHE 36 2HB PHE 36 -3.068 -3.675 -4.527 278 HB3 PHE 36 1HB PHE 36 -3.798 -3.236 -6.064 279 H THR 37 H THR 37 -7.218 -2.485 -3.543 280 HA THR 37 HA THR 37 -8.188 -1.495 -6.162 281 HB THR 37 HB THR 37 -10.261 -2.876 -4.543 282 HG1 THR 37 HG1 THR 37 -9.648 -4.883 -5.571 283 HG21 THR 37 3HG2 THR 37 -11.038 -1.947 -6.548 284 HG22 THR 37 1HG2 THR 37 -10.791 -3.641 -6.973 285 HG23 THR 37 2HG2 THR 37 -9.596 -2.432 -7.442 286 H VAL 38 H VAL 38 -10.228 -0.159 -5.830 287 HA VAL 38 HA VAL 38 -10.236 1.204 -3.162 288 HB VAL 38 HB VAL 38 -8.971 2.420 -4.958 289 HG11 VAL 38 1HG1 VAL 38 -10.169 3.342 -6.864 290 HG12 VAL 38 2HG1 VAL 38 -11.684 2.642 -6.297 291 HG13 VAL 38 3HG1 VAL 38 -10.382 1.591 -6.855 292 HG21 VAL 38 3HG2 VAL 38 -10.020 4.572 -4.573 293 HG22 VAL 38 1HG2 VAL 38 -10.193 3.608 -3.107 294 HG23 VAL 38 2HG2 VAL 38 -11.564 3.803 -4.202 295 H LYS 39 H LYS 39 -12.323 1.959 -2.479 296 HA LYS 39 HA LYS 39 -14.652 1.642 -4.259 297 HB2 LYS 39 2HB LYS 39 -14.011 -0.633 -3.310 298 HB3 LYS 39 1HB LYS 39 -14.419 0.008 -1.718 299 HG2 LYS 39 2HG LYS 39 -16.677 0.074 -2.164 300 HG3 LYS 39 1HG LYS 39 -16.434 0.367 -3.888 301 HD2 LYS 39 2HD LYS 39 -15.617 -1.999 -4.110 302 HD3 LYS 39 1HD LYS 39 -16.071 -2.263 -2.426 303 HE2 LYS 39 2HE LYS 39 -18.396 -1.890 -2.892 304 HE3 LYS 39 1HE LYS 39 -18.035 -1.256 -4.510 305 HZ1 LYS 39 3HZ LYS 39 -17.115 -3.388 -5.130 306 HZ2 LYS 39 1HZ LYS 39 -18.704 -3.605 -4.577 307 HZ3 LYS 39 2HZ LYS 39 -17.394 -4.007 -3.571 308 HA PRO 40 HA PRO 40 -15.530 4.976 -1.379 309 HB2 PRO 40 2HB PRO 40 -17.610 6.033 -2.798 310 HB3 PRO 40 1HB PRO 40 -15.912 6.325 -3.216 311 HG2 PRO 40 2HG PRO 40 -17.877 4.481 -4.459 312 HG3 PRO 40 1HG PRO 40 -16.581 5.422 -5.209 313 HD2 PRO 40 2HD PRO 40 -16.446 2.725 -4.662 314 HD3 PRO 40 1HD PRO 40 -15.036 3.787 -4.867 315 H TYR 41 H TYR 41 -17.272 5.393 0.114 316 HA TYR 41 HA TYR 41 -19.519 3.408 0.082 317 HD1 TYR 41 HD1 TYR 41 -18.935 1.386 0.439 318 HD2 TYR 41 HD2 TYR 41 -15.869 3.247 2.803 319 HE1 TYR 41 HE1 TYR 41 -17.437 -0.547 0.019 320 HE2 TYR 41 HE2 TYR 41 -14.374 1.317 2.382 321 HH TYR 41 HH TYR 41 -14.504 -0.652 0.118 322 HB2 TYR 41 2HB TYR 41 -17.862 4.396 2.425 323 HB3 TYR 41 1HB TYR 41 -19.229 3.300 2.543 324 H LEU 42 H LEU 42 -20.946 4.328 2.185 325 HA LEU 42 HA LEU 42 -21.341 7.254 1.753 326 HG LEU 42 HG LEU 42 -23.031 8.171 1.086 327 HB2 LEU 42 2HB LEU 42 -22.789 5.482 0.382 328 HB3 LEU 42 1HB LEU 42 -23.716 5.444 1.882 329 HD11 LEU 42 1HD1 LEU 42 -24.593 8.254 -0.838 330 HD12 LEU 42 2HD1 LEU 42 -24.742 6.497 -0.778 331 HD13 LEU 42 3HD1 LEU 42 -23.193 7.238 -1.178 332 HD21 LEU 42 3HD2 LEU 42 -25.303 8.572 1.678 333 HD22 LEU 42 1HD2 LEU 42 -24.767 7.297 2.771 334 HD23 LEU 42 2HD2 LEU 42 -25.759 6.896 1.370 335 H LYS 43 H LYS 43 -22.236 8.332 3.528 336 HA LYS 43 HA LYS 43 -22.499 6.747 6.058 337 HB2 LYS 43 2HB LYS 43 -20.618 8.569 5.480 338 HB3 LYS 43 1HB LYS 43 -21.888 9.679 5.992 339 HG2 LYS 43 2HG LYS 43 -21.817 8.973 8.176 340 HG3 LYS 43 1HG LYS 43 -21.410 7.315 7.737 341 HD2 LYS 43 2HD LYS 43 -19.231 7.723 8.111 342 HD3 LYS 43 1HD LYS 43 -19.254 9.029 6.928 343 HE2 LYS 43 2HE LYS 43 -20.536 9.749 9.485 344 HE3 LYS 43 1HE LYS 43 -18.805 9.389 9.625 345 HZ1 LYS 43 3HZ LYS 43 -18.243 11.019 8.123 346 HZ2 LYS 43 1HZ LYS 43 -19.569 11.751 8.886 347 HZ3 LYS 43 2HZ LYS 43 -19.768 11.019 7.367 348 H ARG 44 H ARG 44 -23.868 8.159 7.694 349 HA ARG 44 HA ARG 44 -26.538 8.197 7.146 350 HE ARG 44 HE ARG 44 -27.190 6.852 11.573 351 HB2 ARG 44 2HB ARG 44 -24.725 9.479 9.004 352 HB3 ARG 44 1HB ARG 44 -26.103 10.528 8.673 353 HG2 ARG 44 2HG ARG 44 -27.604 9.096 9.644 354 HG3 ARG 44 1HG ARG 44 -26.727 7.658 9.120 355 HD2 ARG 44 2HD ARG 44 -24.921 8.695 10.877 356 HD3 ARG 44 1HD ARG 44 -26.442 9.225 11.624 357 HH11 ARG 44 2HH1 ARG 44 -24.974 6.112 9.530 358 HH12 ARG 44 1HH1 ARG 44 -23.937 5.153 10.534 359 HH21 ARG 44 1HH2 ARG 44 -25.381 6.235 13.508 360 HH22 ARG 44 2HH2 ARG 44 -24.169 5.223 12.795 361 H PHE 45 H PHE 45 -24.335 10.892 6.356 362 HA PHE 45 HA PHE 45 -26.198 11.790 4.250 363 HD1 PHE 45 HD2 PHE 45 -26.566 14.759 3.676 364 HD2 PHE 45 HD1 PHE 45 -28.614 12.578 6.757 365 HE1 PHE 45 HE2 PHE 45 -28.746 15.442 2.711 366 HE2 PHE 45 HE1 PHE 45 -30.793 13.261 5.792 367 HZ PHE 45 HZ PHE 45 -30.859 14.694 3.769 368 HB2 PHE 45 2HB PHE 45 -26.274 12.836 6.871 369 HB3 PHE 45 1HB PHE 45 -25.459 14.060 5.898 370 H GLN 46 H GLN 46 -23.400 10.771 4.298 371 HA GLN 46 HA GLN 46 -22.159 12.962 2.751 372 HB2 GLN 46 2HB GLN 46 -21.541 12.334 5.542 373 HB3 GLN 46 1HB GLN 46 -20.114 12.248 4.511 374 HG2 GLN 46 2HG GLN 46 -19.998 14.496 4.660 375 HG3 GLN 46 1HG GLN 46 -21.442 14.553 3.649 376 HE21 GLN 46 1HE2 GLN 46 -22.706 16.172 4.645 377 HE22 GLN 46 2HE2 GLN 46 -23.140 16.167 6.286 378 H VAL 47 H VAL 47 -20.720 12.135 1.215 379 HA VAL 47 HA VAL 47 -20.415 9.171 1.108 380 HB VAL 47 HB VAL 47 -19.885 11.396 -0.896 381 HG11 VAL 47 1HG1 VAL 47 -19.843 9.518 -2.545 382 HG12 VAL 47 2HG1 VAL 47 -19.914 8.376 -1.202 383 HG13 VAL 47 3HG1 VAL 47 -18.515 9.435 -1.388 384 HG21 VAL 47 3HG2 VAL 47 -22.166 9.401 -0.690 385 HG22 VAL 47 1HG2 VAL 47 -21.970 10.618 -1.950 386 HG23 VAL 47 2HG2 VAL 47 -22.277 11.114 -0.286 387 H TYR 48 H TYR 48 -18.329 8.205 0.960 388 HA TYR 48 HA TYR 48 -15.964 10.000 1.315 389 HD1 TYR 48 HD2 TYR 48 -14.367 10.437 3.473 390 HD2 TYR 48 HD1 TYR 48 -18.462 9.444 4.308 391 HE1 TYR 48 HE2 TYR 48 -14.557 12.437 4.925 392 HE2 TYR 48 HE1 TYR 48 -18.651 11.445 5.756 393 HH TYR 48 HH TYR 48 -15.962 13.205 6.825 394 HB2 TYR 48 2HB TYR 48 -17.087 7.904 3.143 395 HB3 TYR 48 1HB TYR 48 -15.337 8.114 3.083 396 H TYR 49 H TYR 49 -13.972 9.039 0.613 397 HA TYR 49 HA TYR 49 -14.324 6.694 -1.194 398 HD1 TYR 49 HD2 TYR 49 -15.013 9.278 -2.615 399 HD2 TYR 49 HD1 TYR 49 -11.654 6.774 -3.566 400 HE1 TYR 49 HE2 TYR 49 -15.829 9.070 -4.946 401 HE2 TYR 49 HE1 TYR 49 -12.468 6.568 -5.900 402 HH TYR 49 HH TYR 49 -15.409 7.094 -6.872 403 HB2 TYR 49 2HB TYR 49 -12.857 9.194 -1.201 404 HB3 TYR 49 1HB TYR 49 -11.759 7.840 -1.464 405 H LYS 50 H LYS 50 -13.426 4.748 -0.638 406 HA LYS 50 HA LYS 50 -11.301 4.704 1.478 407 HB2 LYS 50 2HB LYS 50 -13.739 4.118 2.128 408 HB3 LYS 50 1HB LYS 50 -13.497 2.653 1.180 409 HG2 LYS 50 2HG LYS 50 -12.130 1.720 2.740 410 HG3 LYS 50 1HG LYS 50 -11.315 3.247 3.076 411 HD2 LYS 50 2HD LYS 50 -13.040 3.965 4.553 412 HD3 LYS 50 1HD LYS 50 -14.140 2.703 4.001 413 HE2 LYS 50 2HE LYS 50 -13.410 1.569 5.851 414 HE3 LYS 50 1HE LYS 50 -11.978 1.219 4.863 415 HZ1 LYS 50 3HZ LYS 50 -12.318 3.166 7.009 416 HZ2 LYS 50 1HZ LYS 50 -11.391 3.677 5.682 417 HZ3 LYS 50 2HZ LYS 50 -10.938 2.287 6.548 418 H GLY 51 H GLY 51 -10.028 2.626 1.398 419 HA2 GLY 51 2HA GLY 51 -10.207 1.060 -1.078 420 HA3 GLY 51 1HA GLY 51 -8.761 2.061 -0.937 421 H ARG 52 H ARG 52 -8.928 -0.880 -0.965 422 HA ARG 52 HA ARG 52 -7.420 -1.358 1.555 423 HE ARG 52 HE ARG 52 -10.201 -5.318 3.687 424 HB2 ARG 52 2HB ARG 52 -9.888 -1.883 1.840 425 HB3 ARG 52 1HB ARG 52 -9.695 -3.130 0.607 426 HG2 ARG 52 2HG ARG 52 -8.815 -4.559 2.107 427 HG3 ARG 52 1HG ARG 52 -7.604 -3.371 2.591 428 HD2 ARG 52 2HD ARG 52 -8.719 -3.428 4.597 429 HD3 ARG 52 1HD ARG 52 -9.859 -2.342 3.779 430 HH11 ARG 52 1HH2 ARG 52 -11.316 -2.942 5.630 431 HH12 ARG 52 2HH2 ARG 52 -12.982 -3.034 5.166 432 HH21 ARG 52 2HH1 ARG 52 -12.379 -5.083 2.425 433 HH22 ARG 52 1HH1 ARG 52 -13.585 -4.255 3.351 434 H MET 53 H MET 53 -5.652 -2.665 1.137 435 HA MET 53 HA MET 53 -5.703 -4.403 -1.291 436 HB2 MET 53 2HB MET 53 -3.725 -3.427 -2.135 437 HB3 MET 53 1HB MET 53 -4.663 -2.046 -1.577 438 HG2 MET 53 2HG MET 53 -2.629 -1.553 -0.593 439 HG3 MET 53 1HG MET 53 -3.345 -2.524 0.694 440 HE1 MET 53 3HE MET 53 -0.057 -3.225 -2.200 441 HE2 MET 53 1HE MET 53 0.310 -2.368 -0.697 442 HE3 MET 53 2HE MET 53 -0.992 -1.805 -1.740 443 H TRP 54 H TRP 54 -4.062 -6.092 -1.235 444 HA TRP 54 HA TRP 54 -2.397 -6.554 1.103 445 HD1 TRP 54 HD1 TRP 54 -4.377 -10.251 0.058 446 HE1 TRP 54 HE1 TRP 54 -6.582 -10.611 -1.226 447 HE3 TRP 54 HE3 TRP 54 -6.705 -5.808 1.032 448 HZ2 TRP 54 HZ2 TRP 54 -9.011 -9.198 -1.775 449 HZ3 TRP 54 HZ3 TRP 54 -8.959 -5.341 0.115 450 HH2 TRP 54 HH2 TRP 54 -10.114 -7.031 -1.287 451 HB2 TRP 54 2HB TRP 54 -3.716 -8.480 1.967 452 HB3 TRP 54 1HB TRP 54 -4.643 -6.986 2.049 453 H CYS 55 H CYS 55 -2.037 -9.276 0.992 454 HA CYS 55 HA CYS 55 -1.585 -9.881 -1.899 455 HB2 CYS 55 2HB CYS 55 0.319 -9.995 0.434 456 HB3 CYS 55 1HB CYS 55 0.646 -10.830 -1.079 457 HA PRO 56 HA PRO 56 -3.601 -13.509 0.007 458 HB2 PRO 56 2HB PRO 56 -4.985 -14.232 -2.242 459 HB3 PRO 56 1HB PRO 56 -5.571 -13.004 -1.103 460 HG2 PRO 56 2HG PRO 56 -4.264 -12.659 -3.746 461 HG3 PRO 56 1HG PRO 56 -5.553 -11.712 -2.989 462 HD2 PRO 56 2HD PRO 56 -2.920 -10.940 -3.096 463 HD3 PRO 56 1HD PRO 56 -4.083 -10.365 -1.891 464 H GLY 57 H GLY 57 -1.322 -14.326 -0.056 465 HA2 GLY 57 2HA GLY 57 -0.834 -16.743 -1.156 466 HA3 GLY 57 1HA GLY 57 -0.448 -15.688 -2.516 467 H TRP 58 H TRP 58 0.728 -13.532 -1.209 468 HA TRP 58 HA TRP 58 3.400 -14.509 -0.697 469 HD1 TRP 58 HD1 TRP 58 5.248 -13.868 0.036 470 HE1 TRP 58 HE1 TRP 58 7.247 -12.358 0.643 471 HE3 TRP 58 HE3 TRP 58 3.108 -9.272 -0.589 472 HZ2 TRP 58 HZ2 TRP 58 7.857 -9.571 0.839 473 HZ3 TRP 58 HZ3 TRP 58 4.420 -7.210 -0.186 474 HH2 TRP 58 HH2 TRP 58 6.790 -7.353 0.526 475 HB2 TRP 58 2HB TRP 58 2.762 -12.325 -1.738 476 HB3 TRP 58 1HB TRP 58 2.126 -11.799 -0.187 477 H THR 59 H THR 59 1.060 -12.797 1.420 478 HA THR 59 HA THR 59 1.938 -14.416 3.730 479 HB THR 59 HB THR 59 3.537 -12.539 3.589 480 HG1 THR 59 HG1 THR 59 3.256 -12.874 5.658 481 HG21 THR 59 3HG2 THR 59 1.137 -11.077 2.897 482 HG22 THR 59 1HG2 THR 59 2.823 -10.584 2.740 483 HG23 THR 59 2HG2 THR 59 1.959 -10.303 4.251 484 H ALA 60 H ALA 60 0.669 -12.966 5.729 485 HA ALA 60 HA ALA 60 -2.182 -12.882 4.800 486 HB1 ALA 60 3HB ALA 60 -1.584 -14.815 6.216 487 HB2 ALA 60 1HB ALA 60 -2.694 -13.743 7.070 488 HB3 ALA 60 2HB ALA 60 -0.973 -13.721 7.457 489 H ILE 61 H ILE 61 -0.691 -10.525 4.647 490 HA ILE 61 HA ILE 61 -1.689 -8.942 6.992 491 HB ILE 61 HB ILE 61 0.857 -8.859 5.364 492 HG12 ILE 61 2HG1 ILE 61 0.553 -8.557 8.348 493 HG13 ILE 61 1HG1 ILE 61 0.464 -10.154 7.604 494 HG21 ILE 61 1HG2 ILE 61 0.163 -6.559 5.352 495 HG22 ILE 61 2HG2 ILE 61 1.361 -6.715 6.637 496 HG23 ILE 61 3HG2 ILE 61 -0.356 -6.642 7.036 497 HD11 ILE 61 3HD1 ILE 61 2.748 -8.244 7.070 498 HD12 ILE 61 1HD1 ILE 61 2.672 -9.970 6.716 499 HD13 ILE 61 2HD1 ILE 61 2.783 -9.417 8.386 500 H ARG 62 H ARG 62 -2.592 -6.858 6.467 501 HA ARG 62 HA ARG 62 -2.939 -6.251 3.574 502 HE ARG 62 HE ARG 62 -7.275 -8.296 6.119 503 HB2 ARG 62 2HB ARG 62 -5.370 -5.805 4.113 504 HB3 ARG 62 1HB ARG 62 -4.896 -7.494 4.176 505 HG2 ARG 62 2HG ARG 62 -5.124 -7.615 6.469 506 HG3 ARG 62 1HG ARG 62 -4.665 -5.928 6.705 507 HD2 ARG 62 2HD ARG 62 -6.868 -5.432 6.919 508 HD3 ARG 62 1HD ARG 62 -7.083 -5.881 5.216 509 HH11 ARG 62 2HH1 ARG 62 -6.949 -7.821 8.984 510 HH12 ARG 62 1HH1 ARG 62 -8.572 -7.606 9.549 511 HH21 ARG 62 1HH2 ARG 62 -9.875 -7.006 6.382 512 HH22 ARG 62 2HH2 ARG 62 -10.234 -7.145 8.071 513 H GLY 63 H GLY 63 -3.782 -4.046 3.220 514 HA2 GLY 63 2HA GLY 63 -3.427 -2.151 5.479 515 HA3 GLY 63 1HA GLY 63 -2.405 -1.923 4.062 516 H GLU 64 H GLU 64 -4.989 -0.599 5.371 517 HA GLU 64 HA GLU 64 -6.208 0.034 2.729 518 HB2 GLU 64 2HB GLU 64 -8.417 -0.344 3.645 519 HB3 GLU 64 1HB GLU 64 -7.446 -1.782 3.934 520 HG2 GLU 64 2HG GLU 64 -7.729 -1.588 6.158 521 HG3 GLU 64 1HG GLU 64 -7.147 0.076 6.133 522 H ALA 65 H ALA 65 -7.713 1.982 2.947 523 HA ALA 65 HA ALA 65 -7.330 3.789 5.223 524 HB1 ALA 65 3HB ALA 65 -6.148 5.463 3.586 525 HB2 ALA 65 1HB ALA 65 -5.755 4.010 2.666 526 HB3 ALA 65 2HB ALA 65 -5.193 4.180 4.329 527 H SER 66 H SER 66 -8.247 6.047 4.619 528 HA SER 66 HA SER 66 -10.117 6.082 2.335 529 HG SER 66 HG SER 66 -10.677 6.177 6.029 530 HB2 SER 66 2HB SER 66 -11.888 6.717 4.303 531 HB3 SER 66 1HB SER 66 -11.718 5.102 3.633 532 H THR 67 H THR 67 -10.841 8.186 1.835 533 HA THR 67 HA THR 67 -10.500 10.469 3.595 534 HB THR 67 HB THR 67 -8.132 9.850 3.031 535 HG1 THR 67 HG1 THR 67 -8.126 11.928 3.386 536 HG21 THR 67 3HG2 THR 67 -8.922 10.622 0.209 537 HG22 THR 67 1HG2 THR 67 -8.651 8.966 0.748 538 HG23 THR 67 2HG2 THR 67 -7.322 10.125 0.756 539 H ARG 68 H ARG 68 -10.872 12.565 2.297 540 HA ARG 68 HA ARG 68 -13.151 12.280 0.567 541 HE ARG 68 HE ARG 68 -11.126 17.529 0.638 542 HB2 ARG 68 2HB ARG 68 -12.897 14.728 0.331 543 HB3 ARG 68 1HB ARG 68 -12.694 14.228 2.004 544 HG2 ARG 68 2HG ARG 68 -10.825 15.532 1.888 545 HG3 ARG 68 1HG ARG 68 -10.116 14.093 1.161 546 HD2 ARG 68 2HD ARG 68 -9.584 15.812 -0.389 547 HD3 ARG 68 1HD ARG 68 -11.038 15.080 -1.093 548 HH11 ARG 68 2HH1 ARG 68 -11.155 17.597 -2.447 549 HH12 ARG 68 1HH1 ARG 68 -12.848 17.797 -2.745 550 HH21 ARG 68 1HH2 ARG 68 -13.786 16.897 0.481 551 HH22 ARG 68 2HH2 ARG 68 -14.346 17.396 -1.081 552 H SER 69 H SER 69 -9.712 12.848 -0.094 553 HA SER 69 HA SER 69 -9.954 13.316 -2.925 554 HG SER 69 HG SER 69 -6.456 13.217 -2.988 555 HB2 SER 69 2HB SER 69 -8.013 13.923 -1.530 556 HB3 SER 69 1HB SER 69 -7.673 12.218 -1.256 557 H GLN 70 H GLN 70 -9.168 11.830 -4.600 558 HA GLN 70 HA GLN 70 -10.163 9.060 -4.167 559 HB2 GLN 70 2HB GLN 70 -9.613 10.842 -6.543 560 HB3 GLN 70 1HB GLN 70 -9.898 9.115 -6.752 561 HG2 GLN 70 2HG GLN 70 -12.002 9.572 -5.235 562 HG3 GLN 70 1HG GLN 70 -11.781 11.238 -5.769 563 HE21 GLN 70 1HE2 GLN 70 -13.253 11.583 -7.450 564 HE22 GLN 70 2HE2 GLN 70 -13.504 10.518 -8.748 565 H SER 71 H SER 71 -7.396 10.642 -5.832 566 HA SER 71 HA SER 71 -5.824 8.245 -6.054 567 HG SER 71 HG SER 71 -5.946 9.917 -8.215 568 HB2 SER 71 2HB SER 71 -4.763 11.070 -5.932 569 HB3 SER 71 1HB SER 71 -4.180 9.729 -6.910 570 H GLY 72 H GLY 72 -6.147 10.694 -3.519 571 HA2 GLY 72 2HA GLY 72 -3.763 10.150 -2.059 572 HA3 GLY 72 1HA GLY 72 -5.246 10.794 -1.355 573 H VAL 73 H VAL 73 -6.977 8.593 -1.909 574 HA VAL 73 HA VAL 73 -6.383 6.877 0.315 575 HB VAL 73 HB VAL 73 -8.607 7.551 -0.982 576 HG11 VAL 73 1HG1 VAL 73 -8.101 4.804 -2.137 577 HG12 VAL 73 2HG1 VAL 73 -7.788 6.277 -3.051 578 HG13 VAL 73 3HG1 VAL 73 -9.423 5.910 -2.505 579 HG21 VAL 73 3HG2 VAL 73 -8.586 6.353 1.130 580 HG22 VAL 73 1HG2 VAL 73 -8.085 4.867 0.324 581 HG23 VAL 73 2HG2 VAL 73 -9.693 5.530 0.031 582 H ALA 74 H ALA 74 -5.831 6.542 -3.174 583 HA ALA 74 HA ALA 74 -5.132 3.750 -3.175 584 HB1 ALA 74 3HB ALA 74 -5.761 5.149 -5.150 585 HB2 ALA 74 1HB ALA 74 -4.240 4.290 -5.393 586 HB3 ALA 74 2HB ALA 74 -4.228 6.008 -4.992 587 H GLY 75 H GLY 75 -3.193 6.721 -2.758 588 HA2 GLY 75 2HA GLY 75 -0.669 5.324 -2.680 589 HA3 GLY 75 1HA GLY 75 -0.940 6.975 -2.116 590 H LYS 76 H LYS 76 -3.092 6.203 -0.270 591 HA LYS 76 HA LYS 76 -1.474 5.527 2.033 592 HB2 LYS 76 2HB LYS 76 -4.301 6.222 1.397 593 HB3 LYS 76 1HB LYS 76 -4.014 5.376 2.917 594 HG2 LYS 76 2HG LYS 76 -2.359 7.775 2.139 595 HG3 LYS 76 1HG LYS 76 -3.915 7.966 2.947 596 HD2 LYS 76 2HD LYS 76 -1.921 6.042 4.099 597 HD3 LYS 76 1HD LYS 76 -1.690 7.769 4.369 598 HE2 LYS 76 2HE LYS 76 -3.748 7.982 5.534 599 HE3 LYS 76 1HE LYS 76 -4.353 6.433 4.916 600 HZ1 LYS 76 3HZ LYS 76 -3.483 6.283 7.216 601 HZ2 LYS 76 1HZ LYS 76 -1.950 6.724 6.643 602 HZ3 LYS 76 2HZ LYS 76 -2.660 5.269 6.127 603 H THR 77 H THR 77 -3.897 3.745 0.072 604 HA THR 77 HA THR 77 -4.126 1.420 1.679 605 HB THR 77 HB THR 77 -4.285 0.470 -0.878 606 HG1 THR 77 HG1 THR 77 -3.612 2.462 -1.742 607 HG21 THR 77 3HG2 THR 77 -6.240 0.249 0.264 608 HG22 THR 77 1HG2 THR 77 -6.685 1.649 -0.711 609 HG23 THR 77 2HG2 THR 77 -6.142 1.870 0.953 610 H ALA 78 H ALA 78 -1.799 2.195 -0.901 611 HA ALA 78 HA ALA 78 -0.317 -0.285 -0.634 612 HB1 ALA 78 3HB ALA 78 0.118 2.407 -1.934 613 HB2 ALA 78 1HB ALA 78 -0.190 0.855 -2.713 614 HB3 ALA 78 2HB ALA 78 1.376 1.173 -1.968 615 H LYS 79 H LYS 79 -0.035 2.966 0.751 616 HA LYS 79 HA LYS 79 2.540 2.515 1.984 617 HB2 LYS 79 2HB LYS 79 1.278 4.702 1.366 618 HB3 LYS 79 1HB LYS 79 0.462 4.483 2.912 619 HG2 LYS 79 2HG LYS 79 2.455 5.929 3.150 620 HG3 LYS 79 1HG LYS 79 2.635 4.434 4.069 621 HD2 LYS 79 2HD LYS 79 3.601 4.275 1.282 622 HD3 LYS 79 1HD LYS 79 4.500 5.399 2.301 623 HE2 LYS 79 2HE LYS 79 5.505 3.696 3.413 624 HE3 LYS 79 1HE LYS 79 3.948 2.904 3.717 625 HZ1 LYS 79 3HZ LYS 79 4.024 1.771 1.726 626 HZ2 LYS 79 1HZ LYS 79 5.666 1.784 2.136 627 HZ3 LYS 79 2HZ LYS 79 5.072 2.887 0.989 628 H ASP 80 H ASP 80 -0.820 2.155 3.072 629 HA ASP 80 HA ASP 80 -0.163 1.645 5.839 630 HB2 ASP 80 2HB ASP 80 -2.519 1.377 4.012 631 HB3 ASP 80 1HB ASP 80 -2.573 0.507 5.545 632 H PHE 81 H PHE 81 -0.526 -0.447 2.978 633 HA PHE 81 HA PHE 81 -0.408 -2.939 4.454 634 HD1 PHE 81 HD2 PHE 81 -1.073 -5.215 3.365 635 HD2 PHE 81 HD1 PHE 81 1.746 -3.478 0.630 636 HE1 PHE 81 HE2 PHE 81 -0.128 -7.462 2.908 637 HE2 PHE 81 HE1 PHE 81 2.687 -5.724 0.173 638 HZ PHE 81 HZ PHE 81 1.751 -7.717 1.314 639 HB2 PHE 81 2HB PHE 81 -1.374 -2.866 2.251 640 HB3 PHE 81 1HB PHE 81 0.078 -2.127 1.575 641 H VAL 82 H VAL 82 2.055 -0.917 2.808 642 HA VAL 82 HA VAL 82 4.235 -2.761 3.240 643 HB VAL 82 HB VAL 82 4.101 0.237 2.766 644 HG11 VAL 82 1HG1 VAL 82 6.546 -0.398 1.884 645 HG12 VAL 82 2HG1 VAL 82 6.406 -1.630 3.138 646 HG13 VAL 82 3HG1 VAL 82 6.267 0.076 3.560 647 HG21 VAL 82 3HG2 VAL 82 4.410 -0.276 0.477 648 HG22 VAL 82 1HG2 VAL 82 3.257 -1.494 1.024 649 HG23 VAL 82 2HG2 VAL 82 4.959 -1.915 0.830 650 H ARG 83 H ARG 83 2.845 -0.115 5.172 651 HA ARG 83 HA ARG 83 4.927 -0.047 7.178 652 HE ARG 83 HE ARG 83 4.692 3.334 6.650 653 HB2 ARG 83 2HB ARG 83 3.006 1.616 6.587 654 HB3 ARG 83 1HB ARG 83 2.011 0.598 7.629 655 HG2 ARG 83 2HG ARG 83 3.016 1.345 9.524 656 HG3 ARG 83 1HG ARG 83 4.623 1.309 8.797 657 HD2 ARG 83 2HD ARG 83 2.632 3.424 7.965 658 HD3 ARG 83 1HD ARG 83 3.625 3.637 9.420 659 HH11 ARG 83 2HH1 ARG 83 4.889 5.426 9.129 660 HH12 ARG 83 1HH1 ARG 83 6.602 5.342 9.367 661 HH21 ARG 83 1HH2 ARG 83 7.018 2.562 7.330 662 HH22 ARG 83 2HH2 ARG 83 7.811 3.723 8.342 663 H LYS 84 H LYS 84 1.864 -1.852 6.862 664 HA LYS 84 HA LYS 84 1.886 -3.069 9.461 665 HB2 LYS 84 2HB LYS 84 0.084 -2.899 7.554 666 HB3 LYS 84 1HB LYS 84 0.818 -4.394 6.975 667 HG2 LYS 84 2HG LYS 84 -0.913 -5.130 8.410 668 HG3 LYS 84 1HG LYS 84 0.542 -5.250 9.398 669 HD2 LYS 84 2HD LYS 84 -1.220 -4.182 10.705 670 HD3 LYS 84 1HD LYS 84 0.039 -3.000 10.353 671 HE2 LYS 84 2HE LYS 84 -2.069 -1.906 9.914 672 HE3 LYS 84 1HE LYS 84 -1.379 -2.297 8.328 673 HZ1 LYS 84 3HZ LYS 84 -3.707 -3.019 8.527 674 HZ2 LYS 84 1HZ LYS 84 -3.284 -4.023 9.827 675 HZ3 LYS 84 2HZ LYS 84 -2.656 -4.330 8.276 676 H ALA 85 H ALA 85 3.246 -4.106 6.322 677 HA ALA 85 HA ALA 85 4.214 -6.665 7.275 678 HB1 ALA 85 3HB ALA 85 5.424 -5.075 5.019 679 HB2 ALA 85 1HB ALA 85 3.779 -5.698 4.873 680 HB3 ALA 85 2HB ALA 85 5.128 -6.810 5.109 681 H PHE 86 H PHE 86 5.570 -3.390 7.109 682 HA PHE 86 HA PHE 86 8.294 -4.039 7.755 683 HD1 PHE 86 HD1 PHE 86 10.127 -2.345 8.526 684 HD2 PHE 86 HD2 PHE 86 7.540 -1.019 5.364 685 HE1 PHE 86 HE1 PHE 86 12.106 -1.801 7.133 686 HE2 PHE 86 HE2 PHE 86 9.518 -0.480 3.971 687 HZ PHE 86 HZ PHE 86 11.801 -0.869 4.856 688 HB2 PHE 86 2HB PHE 86 6.599 -1.736 7.365 689 HB3 PHE 86 1HB PHE 86 7.562 -1.495 8.820 690 H GLN 87 H GLN 87 5.449 -3.241 9.773 691 HA GLN 87 HA GLN 87 6.822 -3.227 12.303 692 HB2 GLN 87 2HB GLN 87 4.393 -2.503 11.422 693 HB3 GLN 87 1HB GLN 87 3.972 -4.097 12.050 694 HG2 GLN 87 2HG GLN 87 5.595 -2.187 13.720 695 HG3 GLN 87 1HG GLN 87 3.838 -2.050 13.661 696 HE21 GLN 87 1HE2 GLN 87 6.244 -3.433 15.482 697 HE22 GLN 87 2HE2 GLN 87 5.402 -4.774 16.093 698 H LYS 88 H LYS 88 5.199 -5.815 10.451 699 HA LYS 88 HA LYS 88 5.481 -7.830 12.526 700 HB2 LYS 88 2HB LYS 88 4.165 -7.489 10.066 701 HB3 LYS 88 1HB LYS 88 5.281 -8.826 9.795 702 HG2 LYS 88 2HG LYS 88 3.318 -9.857 10.634 703 HG3 LYS 88 1HG LYS 88 4.404 -9.779 12.022 704 HD2 LYS 88 2HD LYS 88 3.142 -7.358 12.208 705 HD3 LYS 88 1HD LYS 88 1.854 -8.365 11.545 706 HE2 LYS 88 2HE LYS 88 2.618 -10.071 13.415 707 HE3 LYS 88 1HE LYS 88 3.279 -8.614 14.181 708 HZ1 LYS 88 3HZ LYS 88 0.516 -8.768 13.102 709 HZ2 LYS 88 1HZ LYS 88 1.176 -7.554 14.085 710 HZ3 LYS 88 2HZ LYS 88 0.891 -9.102 14.724 711 H GLY 89 H GLY 89 7.215 -7.252 9.438 712 HA2 GLY 89 2HA GLY 89 9.756 -7.391 9.699 713 HA3 GLY 89 1HA GLY 89 9.435 -8.942 10.468 714 H LEU 90 H LEU 90 8.197 -7.367 7.494 715 HA LEU 90 HA LEU 90 9.011 -9.831 6.000 716 HG LEU 90 HG LEU 90 6.625 -10.413 7.306 717 HB2 LEU 90 2HB LEU 90 6.459 -8.269 6.140 718 HB3 LEU 90 1HB LEU 90 6.876 -9.041 4.611 719 HD11 LEU 90 1HD1 LEU 90 4.574 -9.689 5.784 720 HD12 LEU 90 2HD1 LEU 90 4.605 -11.271 6.562 721 HD13 LEU 90 3HD1 LEU 90 5.045 -11.116 4.861 722 HD21 LEU 90 3HD2 LEU 90 7.563 -11.375 4.596 723 HD22 LEU 90 1HD2 LEU 90 6.895 -12.490 5.788 724 HD23 LEU 90 2HD2 LEU 90 8.355 -11.573 6.160 725 H ILE 91 H ILE 91 8.073 -6.388 5.539 726 HA ILE 91 HA ILE 91 9.619 -6.272 3.036 727 HB ILE 91 HB ILE 91 7.929 -4.310 4.619 728 HG12 ILE 91 2HG1 ILE 91 7.524 -5.583 1.892 729 HG13 ILE 91 1HG1 ILE 91 6.798 -6.186 3.382 730 HG21 ILE 91 1HG2 ILE 91 9.608 -2.983 3.506 731 HG22 ILE 91 2HG2 ILE 91 8.137 -2.871 2.538 732 HG23 ILE 91 3HG2 ILE 91 9.452 -3.928 2.025 733 HD11 ILE 91 3HD1 ILE 91 5.155 -4.786 2.321 734 HD12 ILE 91 1HD1 ILE 91 6.332 -3.496 2.070 735 HD13 ILE 91 2HD1 ILE 91 5.784 -3.885 3.701 736 H SER 92 H SER 92 11.815 -6.268 3.428 737 HA SER 92 HA SER 92 12.985 -4.820 5.705 738 HG SER 92 HG SER 92 14.129 -7.992 4.744 739 HB2 SER 92 2HB SER 92 14.086 -6.389 3.358 740 HB3 SER 92 1HB SER 92 15.109 -5.676 4.599 741 H GLN 93 H GLN 93 14.923 -3.322 5.148 742 HA GLN 93 HA GLN 93 13.979 -1.084 3.600 743 HB2 GLN 93 2HB GLN 93 15.530 -1.127 5.624 744 HB3 GLN 93 1HB GLN 93 16.805 -1.664 4.531 745 HG2 GLN 93 2HG GLN 93 16.626 0.356 3.217 746 HG3 GLN 93 1HG GLN 93 15.190 0.865 4.106 747 HE21 GLN 93 1HE2 GLN 93 15.666 2.427 5.654 748 HE22 GLN 93 2HE2 GLN 93 17.126 2.542 6.510 749 H GLN 94 H GLN 94 16.814 -3.237 3.045 750 HA GLN 94 HA GLN 94 17.362 -2.257 0.402 751 HB2 GLN 94 2HB GLN 94 18.615 -3.840 2.217 752 HB3 GLN 94 1HB GLN 94 18.030 -5.070 1.096 753 HG2 GLN 94 2HG GLN 94 19.636 -2.620 0.299 754 HG3 GLN 94 1HG GLN 94 20.300 -4.243 0.483 755 HE21 GLN 94 1HE2 GLN 94 19.117 -5.978 -0.936 756 HE22 GLN 94 2HE2 GLN 94 18.628 -5.488 -2.484 757 H GLU 95 H GLU 95 15.353 -4.956 1.580 758 HA GLU 95 HA GLU 95 14.798 -6.289 -0.843 759 HB2 GLU 95 2HB GLU 95 13.480 -5.834 1.778 760 HB3 GLU 95 1HB GLU 95 12.442 -6.447 0.492 761 HG2 GLU 95 2HG GLU 95 15.099 -7.755 0.799 762 HG3 GLU 95 1HG GLU 95 13.909 -8.075 2.060 763 H ALA 96 H ALA 96 13.222 -3.383 0.531 764 HA ALA 96 HA ALA 96 11.230 -3.074 -1.513 765 HB1 ALA 96 3HB ALA 96 10.853 -1.799 0.401 766 HB2 ALA 96 1HB ALA 96 11.575 -0.572 -0.640 767 HB3 ALA 96 2HB ALA 96 12.558 -1.383 0.579 768 H ASN 97 H ASN 97 14.563 -1.857 -1.193 769 HA ASN 97 HA ASN 97 14.564 -0.264 -3.601 770 HB2 ASN 97 2HB ASN 97 16.147 -0.098 -1.654 771 HB3 ASN 97 1HB ASN 97 16.849 -1.641 -2.145 772 HD21 ASN 97 1HD2 ASN 97 16.267 1.698 -3.356 773 HD22 ASN 97 2HD2 ASN 97 17.585 1.698 -4.426 774 H GLN 98 H GLN 98 15.440 -3.638 -2.858 775 HA GLN 98 HA GLN 98 16.534 -4.340 -5.407 776 HB2 GLN 98 2HB GLN 98 16.379 -5.528 -3.022 777 HB3 GLN 98 1HB GLN 98 14.962 -6.286 -3.752 778 HG2 GLN 98 2HG GLN 98 16.255 -7.235 -5.520 779 HG3 GLN 98 1HG GLN 98 17.651 -6.230 -5.135 780 HE21 GLN 98 1HE2 GLN 98 17.184 -9.315 -5.112 781 HE22 GLN 98 2HE2 GLN 98 17.769 -9.788 -3.590 782 H TRP 99 H TRP 99 13.188 -4.422 -4.148 783 HA TRP 99 HA TRP 99 12.051 -5.609 -6.547 784 HD1 TRP 99 HD1 TRP 99 9.973 -6.876 -6.726 785 HE1 TRP 99 HE1 TRP 99 7.586 -6.519 -7.635 786 HE3 TRP 99 HE3 TRP 99 8.768 -2.510 -4.371 787 HZ2 TRP 99 HZ2 TRP 99 5.453 -4.634 -7.392 788 HZ3 TRP 99 HZ3 TRP 99 6.560 -1.464 -4.718 789 HH2 TRP 99 HH2 TRP 99 4.898 -2.515 -6.228 790 HB2 TRP 99 2HB TRP 99 11.029 -5.655 -4.268 791 HB3 TRP 99 1HB TRP 99 10.803 -3.911 -4.356 792 H LEU 100 H LEU 100 12.511 -2.315 -5.317 793 HA LEU 100 HA LEU 100 11.106 -0.929 -7.418 794 HG LEU 100 HG LEU 100 12.252 1.431 -7.657 795 HB2 LEU 100 2HB LEU 100 11.861 -0.117 -5.103 796 HB3 LEU 100 1HB LEU 100 13.473 0.053 -5.797 797 HD11 LEU 100 1HD1 LEU 100 10.266 2.646 -6.714 798 HD12 LEU 100 2HD1 LEU 100 10.269 1.514 -5.362 799 HD13 LEU 100 3HD1 LEU 100 9.966 0.932 -6.998 800 HD21 LEU 100 3HD2 LEU 100 13.861 2.363 -6.030 801 HD22 LEU 100 1HD2 LEU 100 12.575 2.498 -4.832 802 HD23 LEU 100 2HD2 LEU 100 12.522 3.480 -6.295 803 H SER 101 H SER 101 14.498 -1.926 -6.981 804 HA SER 101 HA SER 101 15.491 -0.674 -9.397 805 HG SER 101 HG SER 101 17.662 -3.047 -9.488 806 HB2 SER 101 2HB SER 101 16.918 -1.222 -7.485 807 HB3 SER 101 1HB SER 101 16.512 -2.929 -7.636 808 H SER 102 HN SER 102 14.977 -4.134 -8.583 809 HA SER 102 HA SER 102 14.406 -5.971 -9.944 810 HG SER 102 HG SER 102 11.962 -5.961 -10.532 811 HB2 SER 102 2HB SER 102 12.718 -3.932 -10.534 812 HB3 SER 102 1HB SER 102 13.455 -4.170 -12.116 Start of MODEL 14 1 HA GLU 1 HA GLU 1 18.253 2.646 17.806 2 H1 GLU 1 1H GLU 1 20.386 2.249 19.064 3 H2 GLU 1 2H GLU 1 21.186 3.144 17.861 4 H3 GLU 1 3H GLU 1 20.387 1.699 17.461 5 HB2 GLU 1 2HB GLU 1 19.981 4.580 19.294 6 HB3 GLU 1 1HB GLU 1 18.479 5.198 18.606 7 HG2 GLU 1 2HG GLU 1 17.406 3.075 19.704 8 HG3 GLU 1 1HG GLU 1 18.864 3.071 20.699 9 H ALA 2 H ALA 2 17.264 4.502 16.488 10 HA ALA 2 HA ALA 2 18.913 4.938 14.050 11 HB1 ALA 2 3HB ALA 2 16.615 3.954 13.975 12 HB2 ALA 2 1HB ALA 2 16.737 5.447 13.045 13 HB3 ALA 2 2HB ALA 2 15.980 5.460 14.637 14 H TYR 3 H TYR 3 19.872 6.902 13.713 15 HA TYR 3 HA TYR 3 19.119 9.208 15.438 16 HD1 TYR 3 HD1 TYR 3 21.260 11.440 13.172 17 HD2 TYR 3 HD2 TYR 3 21.629 9.635 17.053 18 HE1 TYR 3 HE1 TYR 3 21.875 13.639 14.136 19 HE2 TYR 3 HE2 TYR 3 22.243 11.836 18.017 20 HH TYR 3 HH TYR 3 23.397 14.190 16.632 21 HB2 TYR 3 2HB TYR 3 21.492 8.267 15.042 22 HB3 TYR 3 1HB TYR 3 21.384 9.000 13.442 23 H VAL 4 H VAL 4 19.795 8.592 11.959 24 HA VAL 4 HA VAL 4 18.162 11.000 11.266 25 HB VAL 4 HB VAL 4 20.135 9.301 9.693 26 HG11 VAL 4 1HG1 VAL 4 18.609 10.270 8.123 27 HG12 VAL 4 2HG1 VAL 4 20.038 11.302 8.115 28 HG13 VAL 4 3HG1 VAL 4 18.592 11.807 8.987 29 HG21 VAL 4 3HG2 VAL 4 20.334 11.868 11.249 30 HG22 VAL 4 1HG2 VAL 4 21.376 11.619 9.847 31 HG23 VAL 4 2HG2 VAL 4 21.449 10.502 11.210 32 H GLN 5 H GLN 5 16.548 10.778 9.555 33 HA GLN 5 HA GLN 5 14.945 8.379 9.720 34 HB2 GLN 5 2HB GLN 5 14.490 10.956 9.104 35 HB3 GLN 5 1HB GLN 5 14.663 10.326 7.466 36 HG2 GLN 5 2HG GLN 5 12.672 9.249 7.556 37 HG3 GLN 5 1HG GLN 5 12.993 8.622 9.173 38 HE21 GLN 5 1HE2 GLN 5 11.754 9.542 10.830 39 HE22 GLN 5 2HE2 GLN 5 10.935 11.024 10.715 40 H GLY 6 H GLY 6 14.242 7.255 7.573 41 HA2 GLY 6 2HA GLY 6 15.730 7.109 5.228 42 HA3 GLY 6 1HA GLY 6 16.600 6.070 6.358 43 H TRP 7 H TRP 7 14.858 4.659 7.705 44 HA TRP 7 HA TRP 7 13.773 2.712 5.943 45 HD1 TRP 7 HD1 TRP 7 16.133 2.442 7.453 46 HE1 TRP 7 HE1 TRP 7 17.032 0.045 7.772 47 HE3 TRP 7 HE3 TRP 7 11.866 0.093 9.005 48 HZ2 TRP 7 HZ2 TRP 7 16.072 -2.522 8.577 49 HZ3 TRP 7 HZ3 TRP 7 11.892 -2.325 9.543 50 HH2 TRP 7 HH2 TRP 7 13.985 -3.635 9.329 51 HB2 TRP 7 2HB TRP 7 13.634 3.442 8.822 52 HB3 TRP 7 1HB TRP 7 12.330 2.409 8.240 53 H GLU 8 H GLU 8 12.190 5.490 7.544 54 HA GLU 8 HA GLU 8 9.512 4.952 6.697 55 HB2 GLU 8 2HB GLU 8 10.386 6.597 8.437 56 HB3 GLU 8 1HB GLU 8 10.830 7.653 7.097 57 HG2 GLU 8 2HG GLU 8 8.137 6.785 6.677 58 HG3 GLU 8 1HG GLU 8 8.272 7.364 8.338 59 H ALA 9 H ALA 9 12.187 6.709 5.129 60 HA ALA 9 HA ALA 9 10.709 7.713 2.886 61 HB1 ALA 9 3HB ALA 9 13.630 6.914 3.107 62 HB2 ALA 9 1HB ALA 9 12.972 8.454 3.660 63 HB3 ALA 9 2HB ALA 9 12.950 8.050 1.943 64 H VAL 10 H VAL 10 12.495 4.677 3.432 65 HA VAL 10 HA VAL 10 12.223 3.596 0.789 66 HB VAL 10 HB VAL 10 12.460 2.310 3.537 67 HG11 VAL 10 1HG1 VAL 10 11.639 0.645 1.972 68 HG12 VAL 10 2HG1 VAL 10 13.356 0.348 2.247 69 HG13 VAL 10 3HG1 VAL 10 12.824 1.139 0.763 70 HG21 VAL 10 3HG2 VAL 10 14.868 2.045 2.762 71 HG22 VAL 10 1HG2 VAL 10 14.368 3.705 3.083 72 HG23 VAL 10 2HG2 VAL 10 14.475 3.121 1.422 73 H ALA 11 H ALA 11 10.178 3.382 3.700 74 HA ALA 11 HA ALA 11 8.198 1.599 2.645 75 HB1 ALA 11 3HB ALA 11 6.822 2.681 4.501 76 HB2 ALA 11 1HB ALA 11 8.184 3.771 4.761 77 HB3 ALA 11 2HB ALA 11 8.383 2.037 5.011 78 H ALA 12 H ALA 12 8.495 5.153 2.593 79 HA ALA 12 HA ALA 12 5.950 5.723 1.410 80 HB1 ALA 12 3HB ALA 12 7.009 7.589 2.295 81 HB2 ALA 12 1HB ALA 12 7.468 7.780 0.602 82 HB3 ALA 12 2HB ALA 12 8.603 7.066 1.748 83 H ALA 13 H ALA 13 9.151 5.025 -0.013 84 HA ALA 13 HA ALA 13 8.442 5.469 -2.755 85 HB1 ALA 13 3HB ALA 13 10.444 3.532 -1.542 86 HB2 ALA 13 1HB ALA 13 10.745 5.254 -1.786 87 HB3 ALA 13 2HB ALA 13 10.496 4.197 -3.175 88 H VAL 14 H VAL 14 8.293 2.572 -0.675 89 HA VAL 14 HA VAL 14 7.464 0.702 -2.673 90 HB VAL 14 HB VAL 14 6.884 0.872 0.309 91 HG11 VAL 14 1HG1 VAL 14 6.420 -1.492 0.232 92 HG12 VAL 14 2HG1 VAL 14 6.891 -1.586 -1.465 93 HG13 VAL 14 3HG1 VAL 14 5.421 -0.727 -1.003 94 HG21 VAL 14 3HG2 VAL 14 8.876 -1.060 -0.621 95 HG22 VAL 14 1HG2 VAL 14 9.002 0.150 0.656 96 HG23 VAL 14 2HG2 VAL 14 9.322 0.600 -1.019 97 H ALA 15 H ALA 15 5.608 2.863 -0.524 98 HA ALA 15 HA ALA 15 2.984 2.030 -1.321 99 HB1 ALA 15 3HB ALA 15 2.955 3.333 0.584 100 HB2 ALA 15 1HB ALA 15 2.667 4.616 -0.591 101 HB3 ALA 15 2HB ALA 15 4.293 4.341 0.032 102 H SER 16 H SER 16 5.206 4.518 -2.585 103 HA SER 16 HA SER 16 3.462 5.704 -4.510 104 HG SER 16 HG SER 16 5.164 6.517 -6.383 105 HB2 SER 16 2HB SER 16 5.810 6.381 -3.626 106 HB3 SER 16 1HB SER 16 6.437 5.289 -4.858 107 H LYS 17 H LYS 17 5.615 2.856 -4.702 108 HA LYS 17 HA LYS 17 5.218 2.378 -7.514 109 HB2 LYS 17 2HB LYS 17 6.893 1.424 -5.634 110 HB3 LYS 17 1HB LYS 17 5.710 0.117 -5.622 111 HG2 LYS 17 2HG LYS 17 7.094 -0.633 -7.319 112 HG3 LYS 17 1HG LYS 17 5.956 0.329 -8.261 113 HD2 LYS 17 2HD LYS 17 7.704 2.271 -7.617 114 HD3 LYS 17 1HD LYS 17 8.800 0.891 -7.575 115 HE2 LYS 17 2HE LYS 17 8.935 1.040 -9.835 116 HE3 LYS 17 1HE LYS 17 7.233 0.542 -9.908 117 HZ1 LYS 17 3HZ LYS 17 6.604 2.872 -9.517 118 HZ2 LYS 17 1HZ LYS 17 7.487 2.692 -10.954 119 HZ3 LYS 17 2HZ LYS 17 8.242 3.322 -9.568 120 H ILE 18 H ILE 18 3.465 1.340 -4.590 121 HA ILE 18 HA ILE 18 1.756 -0.615 -5.739 122 HB ILE 18 HB ILE 18 1.422 1.386 -3.487 123 HG12 ILE 18 2HG1 ILE 18 3.165 -0.410 -3.284 124 HG13 ILE 18 1HG1 ILE 18 1.903 -0.520 -2.060 125 HG21 ILE 18 1HG2 ILE 18 -0.451 -0.152 -2.734 126 HG22 ILE 18 2HG2 ILE 18 -0.405 -0.876 -4.340 127 HG23 ILE 18 3HG2 ILE 18 -0.820 0.828 -4.153 128 HD11 ILE 18 3HD1 ILE 18 2.020 -2.142 -4.624 129 HD12 ILE 18 1HD1 ILE 18 0.744 -2.240 -3.409 130 HD13 ILE 18 2HD1 ILE 18 2.386 -2.743 -3.007 131 H VAL 19 H VAL 19 1.361 2.937 -5.540 132 HA VAL 19 HA VAL 19 -1.268 3.026 -6.693 133 HB VAL 19 HB VAL 19 1.021 5.008 -6.499 134 HG11 VAL 19 1HG1 VAL 19 -0.093 6.346 -7.930 135 HG12 VAL 19 2HG1 VAL 19 -1.440 6.371 -6.792 136 HG13 VAL 19 3HG1 VAL 19 -1.396 5.167 -8.080 137 HG21 VAL 19 3HG2 VAL 19 -0.491 5.996 -4.750 138 HG22 VAL 19 1HG2 VAL 19 0.055 4.366 -4.353 139 HG23 VAL 19 2HG2 VAL 19 -1.577 4.624 -4.971 140 H GLY 20 H GLY 20 1.985 3.404 -8.172 141 HA2 GLY 20 2HA GLY 20 0.863 3.633 -10.867 142 HA3 GLY 20 1HA GLY 20 2.573 3.519 -10.466 143 H LEU 21 H LEU 21 1.671 0.970 -8.822 144 HA LEU 21 HA LEU 21 2.046 -0.899 -11.105 145 HG LEU 21 HG LEU 21 1.901 -3.320 -9.649 146 HB2 LEU 21 2HB LEU 21 3.569 -0.860 -9.133 147 HB3 LEU 21 1HB LEU 21 2.204 -1.265 -8.095 148 HD11 LEU 21 1HD1 LEU 21 4.721 -2.431 -10.322 149 HD12 LEU 21 2HD1 LEU 21 3.385 -2.679 -11.448 150 HD13 LEU 21 3HD1 LEU 21 4.113 -4.059 -10.626 151 HD21 LEU 21 3HD2 LEU 21 4.394 -3.906 -8.318 152 HD22 LEU 21 1HD2 LEU 21 2.759 -4.364 -7.844 153 HD23 LEU 21 2HD2 LEU 21 3.433 -2.825 -7.310 154 H TRP 22 H TRP 22 -0.380 0.050 -8.759 155 HA TRP 22 HA TRP 22 -1.928 -2.350 -8.676 156 HD1 TRP 22 HD1 TRP 22 -4.030 -2.955 -7.772 157 HE1 TRP 22 HE1 TRP 22 -6.591 -2.743 -7.608 158 HE3 TRP 22 HE3 TRP 22 -4.514 2.124 -8.015 159 HZ2 TRP 22 HZ2 TRP 22 -8.586 -0.692 -7.586 160 HZ3 TRP 22 HZ3 TRP 22 -6.753 3.178 -7.920 161 HH2 TRP 22 HH2 TRP 22 -8.789 1.778 -7.706 162 HB2 TRP 22 2HB TRP 22 -2.182 -0.588 -7.047 163 HB3 TRP 22 1HB TRP 22 -2.565 0.590 -8.301 164 H ARG 23 H ARG 23 -3.293 -3.214 -10.139 165 HA ARG 23 HA ARG 23 -3.895 -1.752 -12.665 166 HE ARG 23 HE ARG 23 -1.896 -3.816 -16.194 167 HB2 ARG 23 2HB ARG 23 -2.840 -4.165 -12.285 168 HB3 ARG 23 1HB ARG 23 -4.527 -4.641 -12.097 169 HG2 ARG 23 2HG ARG 23 -5.033 -4.213 -14.305 170 HG3 ARG 23 1HG ARG 23 -3.855 -2.907 -14.431 171 HD2 ARG 23 2HD ARG 23 -2.121 -4.914 -14.094 172 HD3 ARG 23 1HD ARG 23 -3.459 -5.852 -14.787 173 HH11 ARG 23 1HH2 ARG 23 -4.663 -2.824 -16.513 174 HH12 ARG 23 2HH2 ARG 23 -5.235 -3.701 -17.894 175 HH21 ARG 23 2HH1 ARG 23 -2.723 -6.103 -17.733 176 HH22 ARG 23 1HH1 ARG 23 -4.129 -5.565 -18.588 177 H ASN 24 H ASN 24 -6.283 -3.183 -13.308 178 HA ASN 24 HA ASN 24 -8.354 -1.669 -12.202 179 HB2 ASN 24 2HB ASN 24 -8.036 -4.238 -13.634 180 HB3 ASN 24 1HB ASN 24 -9.547 -4.093 -12.736 181 HD21 ASN 24 1HD2 ASN 24 -7.620 -1.616 -14.551 182 HD22 ASN 24 2HD2 ASN 24 -8.912 -1.140 -15.541 183 H GLU 25 H GLU 25 -7.189 -4.868 -11.059 184 HA GLU 25 HA GLU 25 -8.021 -4.218 -8.305 185 HB2 GLU 25 2HB GLU 25 -9.529 -6.185 -8.167 186 HB3 GLU 25 1HB GLU 25 -10.088 -5.032 -9.376 187 HG2 GLU 25 2HG GLU 25 -10.131 -6.773 -10.824 188 HG3 GLU 25 1HG GLU 25 -8.371 -6.694 -10.812 189 H LYS 26 H LYS 26 -5.498 -5.006 -9.785 190 HA LYS 26 HA LYS 26 -4.658 -7.159 -7.920 191 HB2 LYS 26 2HB LYS 26 -5.554 -8.208 -9.990 192 HB3 LYS 26 1HB LYS 26 -4.386 -7.292 -10.940 193 HG2 LYS 26 2HG LYS 26 -2.599 -8.564 -10.241 194 HG3 LYS 26 1HG LYS 26 -3.316 -8.898 -8.665 195 HD2 LYS 26 2HD LYS 26 -4.581 -10.040 -11.140 196 HD3 LYS 26 1HD LYS 26 -3.162 -10.823 -10.443 197 HE2 LYS 26 2HE LYS 26 -4.448 -11.773 -8.842 198 HE3 LYS 26 1HE LYS 26 -5.023 -10.176 -8.328 199 HZ1 LYS 26 3HZ LYS 26 -6.039 -11.547 -10.757 200 HZ2 LYS 26 1HZ LYS 26 -6.691 -10.185 -9.980 201 HZ3 LYS 26 2HZ LYS 26 -6.778 -11.710 -9.237 202 H THR 27 H THR 27 -2.314 -7.316 -7.759 203 HA THR 27 HA THR 27 -0.658 -5.346 -9.207 204 HB THR 27 HB THR 27 -1.770 -4.198 -7.245 205 HG1 THR 27 HG1 THR 27 0.019 -3.177 -7.738 206 HG21 THR 27 3HG2 THR 27 0.099 -5.758 -5.483 207 HG22 THR 27 1HG2 THR 27 -1.515 -6.378 -5.829 208 HG23 THR 27 2HG2 THR 27 -1.323 -4.816 -5.033 209 H GLU 28 H GLU 28 1.539 -5.969 -9.198 210 HA GLU 28 HA GLU 28 2.098 -8.669 -8.037 211 HB2 GLU 28 2HB GLU 28 2.635 -7.281 -10.502 212 HB3 GLU 28 1HB GLU 28 4.170 -7.723 -9.758 213 HG2 GLU 28 2HG GLU 28 1.910 -9.712 -9.993 214 HG3 GLU 28 1HG GLU 28 3.052 -9.465 -11.311 215 H LEU 29 H LEU 29 2.983 -8.420 -5.973 216 HA LEU 29 HA LEU 29 5.041 -6.267 -5.604 217 HG LEU 29 HG LEU 29 1.722 -6.849 -4.719 218 HB2 LEU 29 2HB LEU 29 3.516 -7.724 -3.441 219 HB3 LEU 29 1HB LEU 29 4.320 -6.164 -3.337 220 HD11 LEU 29 1HD1 LEU 29 1.562 -6.200 -2.388 221 HD12 LEU 29 2HD1 LEU 29 0.971 -4.866 -3.379 222 HD13 LEU 29 3HD1 LEU 29 2.583 -4.789 -2.668 223 HD21 LEU 29 3HD2 LEU 29 2.336 -4.080 -5.067 224 HD22 LEU 29 1HD2 LEU 29 2.081 -5.295 -6.317 225 HD23 LEU 29 2HD2 LEU 29 3.702 -5.001 -5.690 226 H LEU 30 H LEU 30 7.127 -6.941 -5.216 227 HA LEU 30 HA LEU 30 8.963 -8.341 -4.720 228 HG LEU 30 HG LEU 30 9.858 -9.753 -3.268 229 HB2 LEU 30 2HB LEU 30 7.320 -8.410 -2.623 230 HB3 LEU 30 1HB LEU 30 7.120 -10.085 -3.123 231 HD11 LEU 30 1HD1 LEU 30 8.728 -7.805 -1.370 232 HD12 LEU 30 2HD1 LEU 30 10.341 -7.880 -2.079 233 HD13 LEU 30 3HD1 LEU 30 9.953 -8.859 -0.665 234 HD21 LEU 30 3HD2 LEU 30 7.970 -10.876 -1.218 235 HD22 LEU 30 1HD2 LEU 30 9.703 -10.889 -0.896 236 HD23 LEU 30 2HD2 LEU 30 9.061 -11.728 -2.309 237 H GLY 31 H GLY 31 7.098 -9.027 -7.013 238 HA2 GLY 31 2HA GLY 31 7.136 -10.726 -8.657 239 HA3 GLY 31 1HA GLY 31 8.241 -11.638 -7.628 240 H HIS 32 H HIS 32 5.276 -10.518 -6.198 241 HA HIS 32 HA HIS 32 4.162 -13.296 -6.316 242 HD1 HIS 32 HD1 HIS 32 5.352 -14.676 -5.060 243 HD2 HIS 32 HD2 HIS 32 6.308 -11.534 -2.494 244 HE1 HIS 32 HE1 HIS 32 7.508 -15.327 -3.902 245 HB2 HIS 32 2HB HIS 32 4.130 -11.174 -4.144 246 HB3 HIS 32 1HB HIS 32 3.276 -12.706 -4.042 247 H GLU 33 H GLU 33 1.794 -13.395 -6.376 248 HA GLU 33 HA GLU 33 0.580 -11.095 -7.772 249 HB2 GLU 33 2HB GLU 33 0.371 -13.771 -8.073 250 HB3 GLU 33 1HB GLU 33 -0.990 -13.507 -6.982 251 HG2 GLU 33 2HG GLU 33 -1.648 -11.584 -8.586 252 HG3 GLU 33 1HG GLU 33 -0.533 -12.336 -9.727 253 H CYS 34 H CYS 34 -0.285 -9.487 -6.553 254 HA CYS 34 HA CYS 34 -1.536 -10.166 -3.912 255 HB2 CYS 34 2HB CYS 34 0.033 -7.824 -4.978 256 HB3 CYS 34 1HB CYS 34 -1.034 -7.618 -3.592 257 H LYS 35 H LYS 35 -3.271 -8.428 -3.358 258 HA LYS 35 HA LYS 35 -4.805 -7.666 -5.806 259 HB2 LYS 35 2HB LYS 35 -5.502 -9.814 -4.600 260 HB3 LYS 35 1HB LYS 35 -6.020 -8.775 -3.273 261 HG2 LYS 35 2HG LYS 35 -7.981 -8.561 -4.383 262 HG3 LYS 35 1HG LYS 35 -7.102 -7.541 -5.519 263 HD2 LYS 35 2HD LYS 35 -7.008 -9.170 -7.122 264 HD3 LYS 35 1HD LYS 35 -6.842 -10.468 -5.938 265 HE2 LYS 35 2HE LYS 35 -9.250 -10.257 -5.371 266 HE3 LYS 35 1HE LYS 35 -9.413 -8.982 -6.596 267 HZ1 LYS 35 3HZ LYS 35 -8.477 -11.765 -7.076 268 HZ2 LYS 35 1HZ LYS 35 -8.533 -10.541 -8.251 269 HZ3 LYS 35 2HZ LYS 35 -9.973 -11.118 -7.556 270 H PHE 36 H PHE 36 -4.754 -5.475 -5.723 271 HA PHE 36 HA PHE 36 -5.275 -4.090 -3.115 272 HD1 PHE 36 HD2 PHE 36 -5.455 -0.960 -5.443 273 HD2 PHE 36 HD1 PHE 36 -2.774 -2.375 -2.401 274 HE1 PHE 36 HE2 PHE 36 -5.505 1.269 -4.364 275 HE2 PHE 36 HE1 PHE 36 -2.824 -0.142 -1.322 276 HZ PHE 36 HZ PHE 36 -4.191 1.677 -2.302 277 HB2 PHE 36 2HB PHE 36 -3.140 -3.663 -4.417 278 HB3 PHE 36 1HB PHE 36 -4.133 -3.045 -5.732 279 H THR 37 H THR 37 -7.178 -2.791 -3.021 280 HA THR 37 HA THR 37 -8.681 -2.366 -5.565 281 HB THR 37 HB THR 37 -10.734 -3.209 -4.234 282 HG1 THR 37 HG1 THR 37 -8.684 -4.500 -2.756 283 HG21 THR 37 3HG2 THR 37 -8.741 -5.396 -4.750 284 HG22 THR 37 1HG2 THR 37 -9.314 -4.397 -6.085 285 HG23 THR 37 2HG2 THR 37 -10.460 -5.345 -5.137 286 H VAL 38 H VAL 38 -10.240 -0.682 -5.465 287 HA VAL 38 HA VAL 38 -10.251 1.009 -2.994 288 HB VAL 38 HB VAL 38 -9.876 1.866 -5.886 289 HG11 VAL 38 1HG1 VAL 38 -11.221 3.521 -4.742 290 HG12 VAL 38 2HG1 VAL 38 -9.576 4.146 -4.851 291 HG13 VAL 38 3HG1 VAL 38 -10.164 3.473 -3.330 292 HG21 VAL 38 3HG2 VAL 38 -7.700 2.768 -4.931 293 HG22 VAL 38 1HG2 VAL 38 -7.807 1.009 -4.996 294 HG23 VAL 38 2HG2 VAL 38 -8.050 1.851 -3.466 295 H LYS 39 H LYS 39 -12.376 1.301 -2.368 296 HA LYS 39 HA LYS 39 -14.459 1.483 -4.507 297 HB2 LYS 39 2HB LYS 39 -14.213 -0.830 -3.486 298 HB3 LYS 39 1HB LYS 39 -14.730 -0.124 -1.953 299 HG2 LYS 39 2HG LYS 39 -16.856 0.533 -2.887 300 HG3 LYS 39 1HG LYS 39 -16.337 0.085 -4.512 301 HD2 LYS 39 2HD LYS 39 -15.923 -2.274 -3.319 302 HD3 LYS 39 1HD LYS 39 -17.176 -1.662 -2.240 303 HE2 LYS 39 2HE LYS 39 -17.659 -1.372 -5.180 304 HE3 LYS 39 1HE LYS 39 -17.807 -2.995 -4.481 305 HZ1 LYS 39 3HZ LYS 39 -19.084 -0.567 -3.330 306 HZ2 LYS 39 1HZ LYS 39 -19.311 -2.173 -2.831 307 HZ3 LYS 39 2HZ LYS 39 -19.887 -1.666 -4.348 308 HA PRO 40 HA PRO 40 -15.383 4.885 -1.740 309 HB2 PRO 40 2HB PRO 40 -16.959 6.252 -3.498 310 HB3 PRO 40 1HB PRO 40 -15.188 6.283 -3.574 311 HG2 PRO 40 2HG PRO 40 -17.126 4.831 -5.269 312 HG3 PRO 40 1HG PRO 40 -15.531 5.476 -5.673 313 HD2 PRO 40 2HD PRO 40 -16.137 2.802 -5.140 314 HD3 PRO 40 1HD PRO 40 -14.513 3.518 -5.182 315 H TYR 41 H TYR 41 -17.358 5.615 -0.685 316 HA TYR 41 HA TYR 41 -19.809 3.992 -1.228 317 HD1 TYR 41 HD1 TYR 41 -19.763 1.692 -0.550 318 HD2 TYR 41 HD2 TYR 41 -16.585 3.417 1.770 319 HE1 TYR 41 HE1 TYR 41 -18.433 -0.385 -0.825 320 HE2 TYR 41 HE2 TYR 41 -15.260 1.341 1.494 321 HH TYR 41 HH TYR 41 -16.236 -1.400 0.888 322 HB2 TYR 41 2HB TYR 41 -18.558 4.631 1.463 323 HB3 TYR 41 1HB TYR 41 -20.034 3.712 1.209 324 H LEU 42 H LEU 42 -21.473 5.105 0.606 325 HA LEU 42 HA LEU 42 -21.285 8.062 0.193 326 HG LEU 42 HG LEU 42 -22.746 9.249 -0.616 327 HB2 LEU 42 2HB LEU 42 -22.782 6.550 -1.401 328 HB3 LEU 42 1HB LEU 42 -23.913 6.648 -0.049 329 HD11 LEU 42 1HD1 LEU 42 -22.579 8.360 -2.913 330 HD12 LEU 42 2HD1 LEU 42 -23.827 9.602 -2.803 331 HD13 LEU 42 3HD1 LEU 42 -24.280 7.898 -2.858 332 HD21 LEU 42 3HD2 LEU 42 -24.847 8.693 0.677 333 HD22 LEU 42 1HD2 LEU 42 -25.607 8.272 -0.857 334 HD23 LEU 42 2HD2 LEU 42 -25.067 9.925 -0.565 335 H LYS 43 H LYS 43 -22.287 9.310 1.807 336 HA LYS 43 HA LYS 43 -23.242 7.832 4.236 337 HB2 LYS 43 2HB LYS 43 -20.910 8.962 4.197 338 HB3 LYS 43 1HB LYS 43 -21.795 10.488 4.204 339 HG2 LYS 43 2HG LYS 43 -22.294 10.297 6.399 340 HG3 LYS 43 1HG LYS 43 -22.816 8.625 6.207 341 HD2 LYS 43 2HD LYS 43 -20.033 8.535 5.893 342 HD3 LYS 43 1HD LYS 43 -20.296 9.655 7.230 343 HE2 LYS 43 2HE LYS 43 -21.498 6.865 7.036 344 HE3 LYS 43 1HE LYS 43 -20.120 7.317 8.056 345 HZ1 LYS 43 3HZ LYS 43 -22.927 8.251 8.240 346 HZ2 LYS 43 1HZ LYS 43 -21.659 9.148 8.925 347 HZ3 LYS 43 2HZ LYS 43 -21.959 7.563 9.456 348 H ARG 44 H ARG 44 -24.414 9.599 5.708 349 HA ARG 44 HA ARG 44 -26.906 10.255 4.883 350 HE ARG 44 HE ARG 44 -28.030 8.580 9.043 351 HB2 ARG 44 2HB ARG 44 -24.985 11.897 6.555 352 HB3 ARG 44 1HB ARG 44 -26.717 12.221 6.483 353 HG2 ARG 44 2HG ARG 44 -25.794 9.435 7.103 354 HG3 ARG 44 1HG ARG 44 -25.735 10.656 8.373 355 HD2 ARG 44 2HD ARG 44 -28.048 10.885 8.452 356 HD3 ARG 44 1HD ARG 44 -28.255 10.397 6.757 357 HH11 ARG 44 1HH2 ARG 44 -29.458 8.527 6.194 358 HH12 ARG 44 2HH2 ARG 44 -28.747 7.077 5.568 359 HH21 ARG 44 2HH1 ARG 44 -26.277 6.922 8.007 360 HH22 ARG 44 1HH1 ARG 44 -26.942 6.165 6.599 361 H PHE 45 H PHE 45 -24.098 12.394 4.327 362 HA PHE 45 HA PHE 45 -25.394 13.487 1.913 363 HD1 PHE 45 HD2 PHE 45 -22.858 15.896 4.220 364 HD2 PHE 45 HD1 PHE 45 -26.522 14.320 5.816 365 HE1 PHE 45 HE2 PHE 45 -21.939 16.086 6.516 366 HE2 PHE 45 HE1 PHE 45 -25.603 14.509 8.111 367 HZ PHE 45 HZ PHE 45 -23.312 15.392 8.462 368 HB2 PHE 45 2HB PHE 45 -25.035 15.853 2.895 369 HB3 PHE 45 1HB PHE 45 -26.394 14.924 3.520 370 H GLN 46 H GLN 46 -22.930 11.963 2.375 371 HA GLN 46 HA GLN 46 -21.035 13.825 1.071 372 HB2 GLN 46 2HB GLN 46 -20.996 13.145 3.897 373 HB3 GLN 46 1HB GLN 46 -19.505 12.632 3.108 374 HG2 GLN 46 2HG GLN 46 -19.399 14.954 2.066 375 HG3 GLN 46 1HG GLN 46 -20.695 15.412 3.170 376 HE21 GLN 46 1HE2 GLN 46 -19.869 16.413 5.012 377 HE22 GLN 46 2HE2 GLN 46 -18.403 16.011 5.766 378 H VAL 47 H VAL 47 -19.562 12.717 -0.234 379 HA VAL 47 HA VAL 47 -19.900 9.761 -0.421 380 HB VAL 47 HB VAL 47 -18.600 11.837 -2.224 381 HG11 VAL 47 1HG1 VAL 47 -19.156 8.882 -2.639 382 HG12 VAL 47 2HG1 VAL 47 -17.571 9.654 -2.566 383 HG13 VAL 47 3HG1 VAL 47 -18.654 9.992 -3.915 384 HG21 VAL 47 3HG2 VAL 47 -21.252 10.364 -2.377 385 HG22 VAL 47 1HG2 VAL 47 -20.602 11.392 -3.654 386 HG23 VAL 47 2HG2 VAL 47 -21.033 12.091 -2.093 387 H TYR 48 H TYR 48 -18.335 8.478 0.489 388 HA TYR 48 HA TYR 48 -15.695 9.719 1.158 389 HD1 TYR 48 HD2 TYR 48 -14.767 9.577 3.907 390 HD2 TYR 48 HD1 TYR 48 -18.980 9.229 3.137 391 HE1 TYR 48 HE2 TYR 48 -15.221 11.367 5.562 392 HE2 TYR 48 HE1 TYR 48 -19.431 11.019 4.790 393 HH TYR 48 HH TYR 48 -17.600 13.146 5.734 394 HB2 TYR 48 2HB TYR 48 -17.427 7.547 2.328 395 HB3 TYR 48 1HB TYR 48 -15.710 7.621 2.724 396 H TYR 49 H TYR 49 -13.765 8.565 0.662 397 HA TYR 49 HA TYR 49 -14.074 6.417 -1.404 398 HD1 TYR 49 HD2 TYR 49 -14.350 8.923 -3.104 399 HD2 TYR 49 HD1 TYR 49 -10.958 6.289 -3.174 400 HE1 TYR 49 HE2 TYR 49 -14.641 8.612 -5.547 401 HE2 TYR 49 HE1 TYR 49 -11.246 5.981 -5.616 402 HH TYR 49 HH TYR 49 -13.849 6.497 -7.240 403 HB2 TYR 49 2HB TYR 49 -12.624 8.858 -1.250 404 HB3 TYR 49 1HB TYR 49 -11.437 7.558 -1.223 405 H LYS 50 H LYS 50 -13.288 4.387 -0.869 406 HA LYS 50 HA LYS 50 -11.425 4.184 1.475 407 HB2 LYS 50 2HB LYS 50 -13.842 3.611 1.936 408 HB3 LYS 50 1HB LYS 50 -13.692 2.302 0.764 409 HG2 LYS 50 2HG LYS 50 -12.113 1.138 2.087 410 HG3 LYS 50 1HG LYS 50 -11.766 2.558 3.074 411 HD2 LYS 50 2HD LYS 50 -13.435 2.066 4.503 412 HD3 LYS 50 1HD LYS 50 -14.590 1.885 3.183 413 HE2 LYS 50 2HE LYS 50 -13.679 -0.423 2.766 414 HE3 LYS 50 1HE LYS 50 -12.673 -0.236 4.216 415 HZ1 LYS 50 3HZ LYS 50 -15.633 0.062 4.120 416 HZ2 LYS 50 1HZ LYS 50 -14.663 0.241 5.501 417 HZ3 LYS 50 2HZ LYS 50 -14.799 -1.278 4.753 418 H GLY 51 H GLY 51 -10.071 2.221 1.426 419 HA2 GLY 51 2HA GLY 51 -10.003 0.688 -1.080 420 HA3 GLY 51 1HA GLY 51 -8.595 1.702 -0.785 421 H ARG 52 H ARG 52 -9.020 -1.299 -0.823 422 HA ARG 52 HA ARG 52 -7.643 -1.874 1.767 423 HE ARG 52 HE ARG 52 -10.071 -5.460 4.588 424 HB2 ARG 52 2HB ARG 52 -10.291 -2.452 1.195 425 HB3 ARG 52 1HB ARG 52 -9.473 -3.956 0.772 426 HG2 ARG 52 2HG ARG 52 -8.584 -2.723 3.306 427 HG3 ARG 52 1HG ARG 52 -10.247 -3.306 3.306 428 HD2 ARG 52 2HD ARG 52 -8.560 -5.261 2.009 429 HD3 ARG 52 1HD ARG 52 -7.906 -4.871 3.611 430 HH11 ARG 52 1HH2 ARG 52 -9.478 -7.957 3.146 431 HH12 ARG 52 2HH2 ARG 52 -10.903 -8.216 2.198 432 HH21 ARG 52 2HH1 ARG 52 -12.036 -4.948 2.532 433 HH22 ARG 52 1HH1 ARG 52 -12.360 -6.508 1.854 434 H MET 53 H MET 53 -6.109 -3.642 1.590 435 HA MET 53 HA MET 53 -5.843 -4.931 -1.083 436 HB2 MET 53 2HB MET 53 -3.675 -4.091 -1.454 437 HB3 MET 53 1HB MET 53 -4.543 -2.702 -0.808 438 HG2 MET 53 2HG MET 53 -3.658 -3.265 1.465 439 HG3 MET 53 1HG MET 53 -2.705 -4.556 0.735 440 HE1 MET 53 3HE MET 53 -1.407 -4.037 -1.547 441 HE2 MET 53 1HE MET 53 -0.369 -4.244 -0.131 442 HE3 MET 53 2HE MET 53 -0.031 -2.967 -1.295 443 H TRP 54 H TRP 54 -4.484 -6.819 -1.063 444 HA TRP 54 HA TRP 54 -3.254 -7.815 1.386 445 HD1 TRP 54 HD1 TRP 54 -5.070 -11.295 -0.147 446 HE1 TRP 54 HE1 TRP 54 -6.914 -11.619 -1.918 447 HE3 TRP 54 HE3 TRP 54 -7.507 -6.823 0.284 448 HZ2 TRP 54 HZ2 TRP 54 -9.130 -10.171 -3.009 449 HZ3 TRP 54 HZ3 TRP 54 -9.478 -6.324 -1.133 450 HH2 TRP 54 HH2 TRP 54 -10.291 -7.991 -2.778 451 HB2 TRP 54 2HB TRP 54 -4.861 -9.546 1.877 452 HB3 TRP 54 1HB TRP 54 -5.757 -8.037 1.751 453 H CYS 55 H CYS 55 -2.368 -10.069 1.026 454 HA CYS 55 HA CYS 55 -2.064 -10.691 -1.892 455 HB2 CYS 55 2HB CYS 55 -0.001 -10.683 0.331 456 HB3 CYS 55 1HB CYS 55 0.309 -11.235 -1.312 457 HA PRO 56 HA PRO 56 -3.505 -14.517 0.119 458 HB2 PRO 56 2HB PRO 56 -4.749 -15.516 -2.104 459 HB3 PRO 56 1HB PRO 56 -5.513 -14.337 -1.021 460 HG2 PRO 56 2HG PRO 56 -4.236 -13.924 -3.670 461 HG3 PRO 56 1HG PRO 56 -5.651 -13.132 -2.960 462 HD2 PRO 56 2HD PRO 56 -3.146 -12.012 -3.087 463 HD3 PRO 56 1HD PRO 56 -4.390 -11.551 -1.919 464 H GLY 57 H GLY 57 -1.177 -15.134 0.151 465 HA2 GLY 57 2HA GLY 57 -0.339 -17.459 -0.811 466 HA3 GLY 57 1HA GLY 57 -0.182 -16.505 -2.284 467 H TRP 58 H TRP 58 0.750 -14.077 -1.223 468 HA TRP 58 HA TRP 58 3.556 -14.655 -0.859 469 HD1 TRP 58 HD1 TRP 58 5.272 -13.663 0.043 470 HE1 TRP 58 HE1 TRP 58 7.033 -11.837 0.489 471 HE3 TRP 58 HE3 TRP 58 2.592 -9.516 -1.262 472 HZ2 TRP 58 HZ2 TRP 58 7.275 -8.992 0.310 473 HZ3 TRP 58 HZ3 TRP 58 3.613 -7.264 -1.115 474 HH2 TRP 58 HH2 TRP 58 5.949 -6.996 -0.333 475 HB2 TRP 58 2HB TRP 58 2.645 -12.649 -1.982 476 HB3 TRP 58 1HB TRP 58 1.924 -12.122 -0.468 477 H THR 59 H THR 59 1.248 -13.004 1.338 478 HA THR 59 HA THR 59 2.446 -14.395 3.654 479 HB THR 59 HB THR 59 3.863 -12.421 3.251 480 HG1 THR 59 HG1 THR 59 3.789 -12.595 5.352 481 HG21 THR 59 3HG2 THR 59 2.178 -10.258 3.882 482 HG22 THR 59 1HG2 THR 59 1.302 -11.197 2.672 483 HG23 THR 59 2HG2 THR 59 2.924 -10.601 2.322 484 H ALA 60 H ALA 60 1.254 -13.056 5.691 485 HA ALA 60 HA ALA 60 -1.670 -13.187 5.045 486 HB1 ALA 60 3HB ALA 60 -0.174 -13.806 7.615 487 HB2 ALA 60 1HB ALA 60 -0.730 -15.011 6.454 488 HB3 ALA 60 2HB ALA 60 -1.902 -14.039 7.345 489 H ILE 61 H ILE 61 -0.181 -10.743 4.776 490 HA ILE 61 HA ILE 61 -1.188 -9.158 7.112 491 HB ILE 61 HB ILE 61 1.372 -9.471 6.374 492 HG12 ILE 61 2HG1 ILE 61 0.523 -6.669 7.037 493 HG13 ILE 61 1HG1 ILE 61 0.179 -7.971 8.177 494 HG21 ILE 61 1HG2 ILE 61 0.508 -7.036 4.785 495 HG22 ILE 61 2HG2 ILE 61 0.903 -8.597 4.066 496 HG23 ILE 61 3HG2 ILE 61 2.142 -7.685 4.927 497 HD11 ILE 61 3HD1 ILE 61 2.285 -7.444 8.924 498 HD12 ILE 61 1HD1 ILE 61 2.795 -6.812 7.360 499 HD13 ILE 61 2HD1 ILE 61 2.753 -8.552 7.634 500 H ARG 62 H ARG 62 -2.189 -7.080 6.561 501 HA ARG 62 HA ARG 62 -2.898 -6.759 3.675 502 HE ARG 62 HE ARG 62 -3.868 -11.150 5.573 503 HB2 ARG 62 2HB ARG 62 -4.705 -6.807 6.098 504 HB3 ARG 62 1HB ARG 62 -5.228 -6.249 4.516 505 HG2 ARG 62 2HG ARG 62 -5.758 -8.402 4.085 506 HG3 ARG 62 1HG ARG 62 -4.022 -8.682 3.949 507 HD2 ARG 62 2HD ARG 62 -4.062 -8.994 6.526 508 HD3 ARG 62 1HD ARG 62 -5.818 -9.171 6.332 509 HH11 ARG 62 2HH1 ARG 62 -6.933 -11.367 6.002 510 HH12 ARG 62 1HH1 ARG 62 -7.426 -11.934 4.442 511 HH21 ARG 62 1HH2 ARG 62 -4.409 -11.121 2.912 512 HH22 ARG 62 2HH2 ARG 62 -5.990 -11.789 2.680 513 H GLY 63 H GLY 63 -4.004 -4.595 3.329 514 HA2 GLY 63 2HA GLY 63 -3.111 -2.484 5.218 515 HA3 GLY 63 1HA GLY 63 -2.599 -2.367 3.536 516 H GLU 64 H GLU 64 -4.777 -1.084 5.530 517 HA GLU 64 HA GLU 64 -6.802 -0.755 3.354 518 HB2 GLU 64 2HB GLU 64 -7.595 -0.877 6.249 519 HB3 GLU 64 1HB GLU 64 -8.549 -1.262 4.824 520 HG2 GLU 64 2HG GLU 64 -7.240 -3.306 4.460 521 HG3 GLU 64 1HG GLU 64 -6.219 -2.916 5.842 522 H ALA 65 H ALA 65 -7.896 1.287 3.399 523 HA ALA 65 HA ALA 65 -7.393 3.297 5.441 524 HB1 ALA 65 3HB ALA 65 -5.964 4.735 3.974 525 HB2 ALA 65 1HB ALA 65 -5.889 3.413 2.809 526 HB3 ALA 65 2HB ALA 65 -5.180 3.219 4.413 527 H SER 66 H SER 66 -8.337 5.440 4.786 528 HA SER 66 HA SER 66 -10.016 5.449 2.350 529 HG SER 66 HG SER 66 -10.821 4.061 5.563 530 HB2 SER 66 2HB SER 66 -11.955 6.097 4.078 531 HB3 SER 66 1HB SER 66 -11.636 4.427 3.630 532 H THR 67 H THR 67 -10.727 7.533 1.779 533 HA THR 67 HA THR 67 -10.515 9.876 3.459 534 HB THR 67 HB THR 67 -8.113 9.339 3.188 535 HG1 THR 67 HG1 THR 67 -7.571 11.369 2.058 536 HG21 THR 67 3HG2 THR 67 -8.702 9.601 0.223 537 HG22 THR 67 1HG2 THR 67 -8.244 8.120 1.063 538 HG23 THR 67 2HG2 THR 67 -7.093 9.449 0.928 539 H ARG 68 H ARG 68 -11.148 11.827 2.231 540 HA ARG 68 HA ARG 68 -13.066 11.372 0.165 541 HE ARG 68 HE ARG 68 -14.818 14.510 3.783 542 HB2 ARG 68 2HB ARG 68 -11.653 13.687 1.411 543 HB3 ARG 68 1HB ARG 68 -12.497 13.985 -0.110 544 HG2 ARG 68 2HG ARG 68 -14.532 12.877 0.902 545 HG3 ARG 68 1HG ARG 68 -13.676 12.865 2.445 546 HD2 ARG 68 2HD ARG 68 -13.495 15.504 1.274 547 HD3 ARG 68 1HD ARG 68 -15.193 14.998 1.369 548 HH11 ARG 68 2HH1 ARG 68 -11.750 14.542 3.466 549 HH12 ARG 68 1HH1 ARG 68 -11.364 16.028 4.271 550 HH21 ARG 68 1HH2 ARG 68 -14.635 17.207 4.220 551 HH22 ARG 68 2HH2 ARG 68 -13.005 17.544 4.697 552 H SER 69 H SER 69 -9.590 11.854 -0.022 553 HA SER 69 HA SER 69 -9.445 12.691 -2.779 554 HG SER 69 HG SER 69 -7.673 12.907 0.098 555 HB2 SER 69 2HB SER 69 -7.101 11.274 -2.065 556 HB3 SER 69 1HB SER 69 -7.346 13.013 -2.010 557 H GLN 70 H GLN 70 -9.332 11.454 -4.650 558 HA GLN 70 HA GLN 70 -10.280 8.700 -4.572 559 HB2 GLN 70 2HB GLN 70 -9.264 10.549 -6.752 560 HB3 GLN 70 1HB GLN 70 -9.921 8.945 -7.074 561 HG2 GLN 70 2HG GLN 70 -12.023 9.645 -5.873 562 HG3 GLN 70 1HG GLN 70 -11.366 11.279 -5.789 563 HE21 GLN 70 1HE2 GLN 70 -13.053 9.047 -7.830 564 HE22 GLN 70 2HE2 GLN 70 -13.038 9.994 -9.238 565 H SER 71 H SER 71 -7.224 10.192 -5.738 566 HA SER 71 HA SER 71 -5.896 7.586 -5.935 567 HG SER 71 HG SER 71 -3.377 9.199 -7.619 568 HB2 SER 71 2HB SER 71 -5.622 9.849 -7.287 569 HB3 SER 71 1HB SER 71 -4.500 10.247 -5.990 570 H GLY 72 H GLY 72 -6.051 10.265 -3.642 571 HA2 GLY 72 2HA GLY 72 -3.771 9.682 -2.053 572 HA3 GLY 72 1HA GLY 72 -5.225 10.484 -1.461 573 H VAL 73 H VAL 73 -7.048 8.281 -2.018 574 HA VAL 73 HA VAL 73 -6.784 6.781 0.407 575 HB VAL 73 HB VAL 73 -8.794 7.328 -1.258 576 HG11 VAL 73 1HG1 VAL 73 -7.833 5.919 -3.092 577 HG12 VAL 73 2HG1 VAL 73 -9.450 5.414 -2.605 578 HG13 VAL 73 3HG1 VAL 73 -8.042 4.502 -2.062 579 HG21 VAL 73 3HG2 VAL 73 -8.843 6.225 1.025 580 HG22 VAL 73 1HG2 VAL 73 -8.707 4.674 0.197 581 HG23 VAL 73 2HG2 VAL 73 -10.113 5.702 -0.080 582 H ALA 74 H ALA 74 -5.810 6.065 -2.936 583 HA ALA 74 HA ALA 74 -5.137 3.296 -2.527 584 HB1 ALA 74 3HB ALA 74 -4.033 3.549 -4.681 585 HB2 ALA 74 1HB ALA 74 -3.957 5.299 -4.478 586 HB3 ALA 74 2HB ALA 74 -5.515 4.506 -4.709 587 H GLY 75 H GLY 75 -3.249 6.311 -2.276 588 HA2 GLY 75 2HA GLY 75 -0.740 5.015 -1.715 589 HA3 GLY 75 1HA GLY 75 -1.107 6.711 -1.401 590 H LYS 76 H LYS 76 -3.475 6.038 0.250 591 HA LYS 76 HA LYS 76 -2.145 5.776 2.810 592 HB2 LYS 76 2HB LYS 76 -4.421 6.924 1.894 593 HB3 LYS 76 1HB LYS 76 -5.088 5.428 2.544 594 HG2 LYS 76 2HG LYS 76 -4.783 6.112 4.677 595 HG3 LYS 76 1HG LYS 76 -3.127 6.621 4.351 596 HD2 LYS 76 2HD LYS 76 -5.534 8.241 3.485 597 HD3 LYS 76 1HD LYS 76 -4.736 8.479 5.039 598 HE2 LYS 76 2HE LYS 76 -3.252 8.601 2.389 599 HE3 LYS 76 1HE LYS 76 -3.910 10.031 3.207 600 HZ1 LYS 76 3HZ LYS 76 -1.769 9.862 4.071 601 HZ2 LYS 76 1HZ LYS 76 -1.816 8.169 4.152 602 HZ3 LYS 76 2HZ LYS 76 -2.712 9.096 5.259 603 H THR 77 H THR 77 -4.191 3.610 0.818 604 HA THR 77 HA THR 77 -4.377 1.468 2.727 605 HB THR 77 HB THR 77 -4.437 1.496 -0.316 606 HG1 THR 77 HG1 THR 77 -6.145 2.642 0.185 607 HG21 THR 77 3HG2 THR 77 -5.717 -0.522 1.533 608 HG22 THR 77 1HG2 THR 77 -4.123 -0.769 0.821 609 HG23 THR 77 2HG2 THR 77 -5.540 -0.618 -0.217 610 H ALA 78 H ALA 78 -2.043 2.226 0.153 611 HA ALA 78 HA ALA 78 -0.440 -0.149 0.425 612 HB1 ALA 78 3HB ALA 78 1.085 1.072 -0.988 613 HB2 ALA 78 1HB ALA 78 0.421 2.619 -0.463 614 HB3 ALA 78 2HB ALA 78 -0.542 1.546 -1.479 615 H LYS 79 H LYS 79 -0.306 3.088 1.924 616 HA LYS 79 HA LYS 79 2.167 2.829 3.311 617 HB2 LYS 79 2HB LYS 79 0.599 4.848 2.947 618 HB3 LYS 79 1HB LYS 79 -0.300 4.248 4.340 619 HG2 LYS 79 2HG LYS 79 1.453 4.654 5.823 620 HG3 LYS 79 1HG LYS 79 2.677 4.588 4.554 621 HD2 LYS 79 2HD LYS 79 0.584 6.765 4.608 622 HD3 LYS 79 1HD LYS 79 2.092 6.914 5.511 623 HE2 LYS 79 2HE LYS 79 3.201 6.239 3.204 624 HE3 LYS 79 1HE LYS 79 1.674 6.843 2.535 625 HZ1 LYS 79 3HZ LYS 79 3.627 8.282 4.235 626 HZ2 LYS 79 1HZ LYS 79 2.025 8.817 4.084 627 HZ3 LYS 79 2HZ LYS 79 3.025 8.734 2.713 628 H ASP 80 H ASP 80 -1.149 1.906 4.274 629 HA ASP 80 HA ASP 80 -0.488 1.029 6.930 630 HB2 ASP 80 2HB ASP 80 -2.765 1.538 5.872 631 HB3 ASP 80 1HB ASP 80 -2.659 -0.046 5.107 632 H PHE 81 H PHE 81 -0.629 -0.662 3.798 633 HA PHE 81 HA PHE 81 0.013 -3.286 4.844 634 HD1 PHE 81 HD1 PHE 81 2.372 -3.718 1.798 635 HD2 PHE 81 HD2 PHE 81 -1.578 -5.045 2.838 636 HE1 PHE 81 HE1 PHE 81 2.983 -6.036 1.162 637 HE2 PHE 81 HE2 PHE 81 -0.967 -7.362 2.204 638 HZ PHE 81 HZ PHE 81 1.313 -7.859 1.365 639 HB2 PHE 81 2HB PHE 81 -1.088 -2.691 2.642 640 HB3 PHE 81 1HB PHE 81 0.481 -2.123 2.078 641 H VAL 82 H VAL 82 1.954 -0.602 3.525 642 HA VAL 82 HA VAL 82 4.471 -2.014 3.523 643 HB VAL 82 HB VAL 82 3.625 0.895 3.514 644 HG11 VAL 82 1HG1 VAL 82 6.056 1.279 2.775 645 HG12 VAL 82 2HG1 VAL 82 6.398 -0.309 3.459 646 HG13 VAL 82 3HG1 VAL 82 5.793 0.985 4.494 647 HG21 VAL 82 3HG2 VAL 82 3.186 -0.563 1.508 648 HG22 VAL 82 1HG2 VAL 82 4.924 -0.837 1.389 649 HG23 VAL 82 2HG2 VAL 82 4.271 0.787 1.173 650 H ARG 83 H ARG 83 2.793 0.026 5.932 651 HA ARG 83 HA ARG 83 4.983 0.129 7.816 652 HE ARG 83 HE ARG 83 4.124 3.623 11.126 653 HB2 ARG 83 2HB ARG 83 2.793 1.520 7.615 654 HB3 ARG 83 1HB ARG 83 2.040 0.195 8.500 655 HG2 ARG 83 2HG ARG 83 3.497 0.505 10.381 656 HG3 ARG 83 1HG ARG 83 4.529 1.615 9.478 657 HD2 ARG 83 2HD ARG 83 1.928 2.712 9.309 658 HD3 ARG 83 1HD ARG 83 2.139 2.216 11.000 659 HH11 ARG 83 2HH1 ARG 83 2.091 5.507 9.945 660 HH12 ARG 83 1HH1 ARG 83 2.971 6.196 8.623 661 HH21 ARG 83 1HH2 ARG 83 5.411 3.718 8.618 662 HH22 ARG 83 2HH2 ARG 83 4.856 5.175 7.866 663 H LYS 84 H LYS 84 2.223 -2.094 7.382 664 HA LYS 84 HA LYS 84 2.745 -3.693 9.730 665 HB2 LYS 84 2HB LYS 84 1.218 -3.978 7.147 666 HB3 LYS 84 1HB LYS 84 1.373 -5.364 8.227 667 HG2 LYS 84 2HG LYS 84 0.305 -4.195 10.028 668 HG3 LYS 84 1HG LYS 84 0.387 -2.659 9.162 669 HD2 LYS 84 2HD LYS 84 -1.178 -3.449 7.490 670 HD3 LYS 84 1HD LYS 84 -1.165 -5.072 8.183 671 HE2 LYS 84 2HE LYS 84 -2.307 -4.344 10.161 672 HE3 LYS 84 1HE LYS 84 -2.051 -2.634 9.758 673 HZ1 LYS 84 3HZ LYS 84 -3.511 -4.511 7.978 674 HZ2 LYS 84 1HZ LYS 84 -3.432 -2.816 7.862 675 HZ3 LYS 84 2HZ LYS 84 -4.293 -3.542 9.137 676 H ALA 85 H ALA 85 3.754 -3.919 6.315 677 HA ALA 85 HA ALA 85 5.147 -6.434 6.556 678 HB1 ALA 85 3HB ALA 85 4.643 -5.817 4.366 679 HB2 ALA 85 1HB ALA 85 6.326 -5.299 4.454 680 HB3 ALA 85 2HB ALA 85 5.029 -4.120 4.650 681 H PHE 86 H PHE 86 6.116 -3.036 6.969 682 HA PHE 86 HA PHE 86 8.948 -3.519 7.263 683 HD1 PHE 86 HD1 PHE 86 10.710 -1.396 7.882 684 HD2 PHE 86 HD2 PHE 86 7.381 -0.738 5.253 685 HE1 PHE 86 HE1 PHE 86 12.255 -0.545 6.140 686 HE2 PHE 86 HE2 PHE 86 8.924 0.111 3.511 687 HZ PHE 86 HZ PHE 86 11.361 0.212 3.954 688 HB2 PHE 86 2HB PHE 86 6.997 -1.343 7.505 689 HB3 PHE 86 1HB PHE 86 8.282 -1.214 8.701 690 H GLN 87 H GLN 87 6.202 -3.515 9.518 691 HA GLN 87 HA GLN 87 7.668 -3.520 11.980 692 HB2 GLN 87 2HB GLN 87 4.947 -4.338 11.014 693 HB3 GLN 87 1HB GLN 87 5.430 -4.782 12.650 694 HG2 GLN 87 2HG GLN 87 5.876 -2.453 13.203 695 HG3 GLN 87 1HG GLN 87 5.551 -1.963 11.541 696 HE21 GLN 87 1HE2 GLN 87 3.996 -3.248 14.491 697 HE22 GLN 87 2HE2 GLN 87 2.417 -2.822 14.036 698 H LYS 88 H LYS 88 6.830 -6.114 9.712 699 HA LYS 88 HA LYS 88 7.839 -8.190 11.569 700 HB2 LYS 88 2HB LYS 88 6.080 -7.979 9.243 701 HB3 LYS 88 1HB LYS 88 7.207 -9.328 9.092 702 HG2 LYS 88 2HG LYS 88 5.209 -10.112 10.232 703 HG3 LYS 88 1HG LYS 88 6.539 -10.075 11.389 704 HD2 LYS 88 2HD LYS 88 5.130 -7.521 11.277 705 HD3 LYS 88 1HD LYS 88 4.050 -8.847 11.703 706 HE2 LYS 88 2HE LYS 88 6.639 -8.996 13.096 707 HE3 LYS 88 1HE LYS 88 5.711 -7.537 13.490 708 HZ1 LYS 88 3HZ LYS 88 5.025 -9.391 14.889 709 HZ2 LYS 88 1HZ LYS 88 4.660 -10.322 13.519 710 HZ3 LYS 88 2HZ LYS 88 3.757 -8.922 13.860 711 H GLY 89 H GLY 89 8.418 -7.551 8.083 712 HA2 GLY 89 2HA GLY 89 11.031 -6.924 7.897 713 HA3 GLY 89 1HA GLY 89 11.142 -8.617 8.366 714 H LEU 90 H LEU 90 8.972 -6.870 6.103 715 HA LEU 90 HA LEU 90 9.673 -8.927 4.046 716 HG LEU 90 HG LEU 90 7.476 -10.002 5.157 717 HB2 LEU 90 2HB LEU 90 7.202 -7.596 4.952 718 HB3 LEU 90 1HB LEU 90 7.367 -7.687 3.200 719 HD11 LEU 90 1HD1 LEU 90 5.553 -9.221 2.947 720 HD12 LEU 90 2HD1 LEU 90 5.210 -9.276 4.675 721 HD13 LEU 90 3HD1 LEU 90 5.514 -10.770 3.789 722 HD21 LEU 90 3HD2 LEU 90 8.873 -10.918 3.602 723 HD22 LEU 90 1HD2 LEU 90 8.468 -9.703 2.389 724 HD23 LEU 90 2HD2 LEU 90 7.410 -11.093 2.633 725 H ILE 91 H ILE 91 9.121 -5.429 4.556 726 HA ILE 91 HA ILE 91 10.235 -4.912 1.840 727 HB ILE 91 HB ILE 91 8.746 -3.142 3.817 728 HG12 ILE 91 2HG1 ILE 91 7.797 -4.417 1.228 729 HG13 ILE 91 1HG1 ILE 91 7.430 -5.047 2.832 730 HG21 ILE 91 1HG2 ILE 91 9.955 -1.648 2.460 731 HG22 ILE 91 2HG2 ILE 91 8.427 -1.805 1.593 732 HG23 ILE 91 3HG2 ILE 91 9.848 -2.697 1.046 733 HD11 ILE 91 3HD1 ILE 91 6.222 -3.044 3.424 734 HD12 ILE 91 1HD1 ILE 91 5.620 -3.580 1.855 735 HD13 ILE 91 2HD1 ILE 91 6.750 -2.230 1.951 736 H SER 92 H SER 92 12.354 -5.618 2.983 737 HA SER 92 HA SER 92 13.595 -3.825 4.906 738 HG SER 92 HG SER 92 13.884 -7.214 4.446 739 HB2 SER 92 2HB SER 92 14.675 -5.939 3.015 740 HB3 SER 92 1HB SER 92 15.619 -5.182 4.293 741 H GLN 93 H GLN 93 15.954 -2.980 4.129 742 HA GLN 93 HA GLN 93 15.475 -0.819 2.285 743 HB2 GLN 93 2HB GLN 93 17.894 -2.020 3.639 744 HB3 GLN 93 1HB GLN 93 18.042 -0.635 2.556 745 HG2 GLN 93 2HG GLN 93 16.653 0.725 3.932 746 HG3 GLN 93 1HG GLN 93 16.088 -0.664 4.862 747 HE21 GLN 93 1HE2 GLN 93 18.722 1.639 4.495 748 HE22 GLN 93 2HE2 GLN 93 19.610 1.120 5.846 749 H GLN 94 H GLN 94 17.763 -3.585 1.962 750 HA GLN 94 HA GLN 94 18.308 -3.146 -0.822 751 HB2 GLN 94 2HB GLN 94 18.576 -5.417 1.138 752 HB3 GLN 94 1HB GLN 94 18.948 -5.687 -0.566 753 HG2 GLN 94 2HG GLN 94 20.649 -3.996 -0.555 754 HG3 GLN 94 1HG GLN 94 20.146 -3.411 1.032 755 HE21 GLN 94 1HE2 GLN 94 21.775 -6.111 -0.633 756 HE22 GLN 94 2HE2 GLN 94 22.492 -6.754 0.764 757 H GLU 95 H GLU 95 15.908 -5.185 0.840 758 HA GLU 95 HA GLU 95 14.864 -6.525 -1.459 759 HB2 GLU 95 2HB GLU 95 14.051 -5.881 1.327 760 HB3 GLU 95 1HB GLU 95 12.747 -6.333 0.230 761 HG2 GLU 95 2HG GLU 95 13.907 -8.410 -0.339 762 HG3 GLU 95 1HG GLU 95 15.273 -7.951 0.679 763 H ALA 96 H ALA 96 13.968 -3.431 0.096 764 HA ALA 96 HA ALA 96 11.744 -2.772 -1.573 765 HB1 ALA 96 3HB ALA 96 12.084 -1.547 0.433 766 HB2 ALA 96 1HB ALA 96 12.483 -0.394 -0.840 767 HB3 ALA 96 2HB ALA 96 13.771 -1.215 0.040 768 H ASN 97 H ASN 97 15.249 -2.251 -1.973 769 HA ASN 97 HA ASN 97 15.124 -0.581 -4.298 770 HB2 ASN 97 2HB ASN 97 17.089 -2.353 -2.915 771 HB3 ASN 97 1HB ASN 97 17.451 -1.943 -4.590 772 HD21 ASN 97 1HD2 ASN 97 17.259 0.529 -5.085 773 HD22 ASN 97 2HD2 ASN 97 17.802 1.588 -3.876 774 H GLN 98 H GLN 98 15.319 -4.132 -3.916 775 HA GLN 98 HA GLN 98 15.176 -4.668 -6.781 776 HB2 GLN 98 2HB GLN 98 15.544 -6.074 -4.294 777 HB3 GLN 98 1HB GLN 98 14.271 -6.878 -5.213 778 HG2 GLN 98 2HG GLN 98 16.031 -7.911 -6.240 779 HG3 GLN 98 1HG GLN 98 16.078 -6.428 -7.193 780 HE21 GLN 98 1HE2 GLN 98 18.156 -8.439 -5.662 781 HE22 GLN 98 2HE2 GLN 98 19.317 -7.326 -5.117 782 H TRP 99 H TRP 99 12.888 -4.294 -4.134 783 HA TRP 99 HA TRP 99 10.539 -5.340 -5.430 784 HD1 TRP 99 HD1 TRP 99 9.178 -6.631 -2.971 785 HE1 TRP 99 HE1 TRP 99 6.612 -6.429 -2.841 786 HE3 TRP 99 HE3 TRP 99 8.625 -1.676 -4.071 787 HZ2 TRP 99 HZ2 TRP 99 4.610 -4.429 -3.161 788 HZ3 TRP 99 HZ3 TRP 99 6.373 -0.661 -4.149 789 HH2 TRP 99 HH2 TRP 99 4.364 -2.029 -3.702 790 HB2 TRP 99 2HB TRP 99 11.093 -4.816 -2.952 791 HB3 TRP 99 1HB TRP 99 10.668 -3.154 -3.345 792 H LEU 100 H LEU 100 11.960 -2.075 -5.183 793 HA LEU 100 HA LEU 100 9.794 -0.835 -6.728 794 HG LEU 100 HG LEU 100 10.353 -0.417 -4.193 795 HB2 LEU 100 2HB LEU 100 12.482 0.078 -5.659 796 HB3 LEU 100 1HB LEU 100 11.392 1.143 -6.543 797 HD11 LEU 100 1HD1 LEU 100 11.458 2.349 -3.821 798 HD12 LEU 100 2HD1 LEU 100 12.548 0.967 -3.719 799 HD13 LEU 100 3HD1 LEU 100 11.176 1.089 -2.619 800 HD21 LEU 100 3HD2 LEU 100 8.824 0.853 -5.703 801 HD22 LEU 100 1HD2 LEU 100 9.707 2.329 -5.315 802 HD23 LEU 100 2HD2 LEU 100 8.813 1.479 -4.055 803 H SER 101 H SER 101 13.062 -2.054 -7.344 804 HA SER 101 HA SER 101 13.109 -0.969 -10.080 805 HG SER 101 HG SER 101 15.516 -2.968 -10.644 806 HB2 SER 101 2HB SER 101 15.121 -1.026 -8.653 807 HB3 SER 101 1HB SER 101 14.994 -2.777 -8.531 808 H SER 102 HN SER 102 13.699 -4.283 -8.836 809 HA SER 102 HA SER 102 13.073 -6.388 -9.686 810 HG SER 102 HG SER 102 9.985 -6.682 -9.311 811 HB2 SER 102 2HB SER 102 10.852 -4.795 -9.573 812 HB3 SER 102 1HB SER 102 10.851 -5.241 -11.276 Start of MODEL 15 1 HA GLU 1 HA GLU 1 23.327 14.989 3.245 2 H1 GLU 1 1H GLU 1 22.170 14.639 5.966 3 H2 GLU 1 2H GLU 1 21.839 13.601 4.663 4 H3 GLU 1 3H GLU 1 21.378 15.233 4.589 5 HB2 GLU 1 2HB GLU 1 23.329 16.403 5.867 6 HB3 GLU 1 1HB GLU 1 24.870 16.345 5.012 7 HG2 GLU 1 2HG GLU 1 23.950 18.264 4.085 8 HG3 GLU 1 1HG GLU 1 23.380 17.052 2.937 9 H ALA 2 H ALA 2 24.264 14.202 6.635 10 HA ALA 2 HA ALA 2 26.320 12.321 5.529 11 HB1 ALA 2 3HB ALA 2 27.352 12.691 7.808 12 HB2 ALA 2 1HB ALA 2 26.065 13.851 8.138 13 HB3 ALA 2 2HB ALA 2 27.218 14.157 6.839 14 H TYR 3 H TYR 3 24.719 10.587 5.310 15 HA TYR 3 HA TYR 3 23.618 8.644 6.053 16 HD1 TYR 3 HD2 TYR 3 23.277 7.341 9.469 17 HD2 TYR 3 HD1 TYR 3 25.954 6.636 6.183 18 HE1 TYR 3 HE2 TYR 3 22.781 4.914 9.585 19 HE2 TYR 3 HE1 TYR 3 25.459 4.209 6.302 20 HH TYR 3 HH TYR 3 24.452 2.649 8.606 21 HB2 TYR 3 2HB TYR 3 25.933 8.771 7.329 22 HB3 TYR 3 1HB TYR 3 24.907 9.048 8.736 23 H VAL 4 H VAL 4 21.495 9.618 6.060 24 HA VAL 4 HA VAL 4 20.508 10.464 8.768 25 HB VAL 4 HB VAL 4 20.551 12.165 6.898 26 HG11 VAL 4 1HG1 VAL 4 20.019 10.533 5.072 27 HG12 VAL 4 2HG1 VAL 4 18.962 11.943 5.067 28 HG13 VAL 4 3HG1 VAL 4 18.380 10.409 5.711 29 HG21 VAL 4 3HG2 VAL 4 17.743 11.423 7.760 30 HG22 VAL 4 1HG2 VAL 4 18.353 13.032 7.376 31 HG23 VAL 4 2HG2 VAL 4 18.911 12.200 8.828 32 H GLN 5 H GLN 5 18.349 9.717 9.346 33 HA GLN 5 HA GLN 5 17.764 6.998 8.398 34 HB2 GLN 5 2HB GLN 5 16.969 8.851 10.582 35 HB3 GLN 5 1HB GLN 5 15.747 7.674 10.101 36 HG2 GLN 5 2HG GLN 5 18.004 6.114 10.183 37 HG3 GLN 5 1HG GLN 5 18.312 7.253 11.494 38 HE21 GLN 5 1HE2 GLN 5 17.448 6.589 13.469 39 HE22 GLN 5 2HE2 GLN 5 16.085 5.595 13.650 40 H GLY 6 H GLY 6 15.857 6.378 7.268 41 HA2 GLY 6 2HA GLY 6 13.828 8.343 6.540 42 HA3 GLY 6 1HA GLY 6 14.872 7.894 5.196 43 H TRP 7 H TRP 7 13.776 5.776 7.831 44 HA TRP 7 HA TRP 7 13.079 3.606 6.097 45 HD1 TRP 7 HD1 TRP 7 15.420 3.842 7.748 46 HE1 TRP 7 HE1 TRP 7 16.724 1.657 8.154 47 HE3 TRP 7 HE3 TRP 7 11.579 0.761 9.115 48 HZ2 TRP 7 HZ2 TRP 7 16.209 -1.040 8.950 49 HZ3 TRP 7 HZ3 TRP 7 12.018 -1.609 9.694 50 HH2 TRP 7 HH2 TRP 7 14.324 -2.513 9.613 51 HB2 TRP 7 2HB TRP 7 12.726 4.390 8.953 52 HB3 TRP 7 1HB TRP 7 11.655 3.124 8.355 53 H GLU 8 H GLU 8 11.155 6.248 7.494 54 HA GLU 8 HA GLU 8 8.564 5.334 6.665 55 HB2 GLU 8 2HB GLU 8 8.882 7.076 8.333 56 HB3 GLU 8 1HB GLU 8 9.766 8.077 7.182 57 HG2 GLU 8 2HG GLU 8 7.026 7.247 6.369 58 HG3 GLU 8 1HG GLU 8 7.130 8.410 7.690 59 H ALA 9 H ALA 9 11.004 7.402 5.083 60 HA ALA 9 HA ALA 9 9.499 8.080 2.755 61 HB1 ALA 9 3HB ALA 9 12.468 7.739 3.275 62 HB2 ALA 9 1HB ALA 9 11.540 9.233 3.401 63 HB3 ALA 9 2HB ALA 9 11.809 8.493 1.823 64 H VAL 10 H VAL 10 11.616 5.307 3.483 65 HA VAL 10 HA VAL 10 11.562 4.125 0.865 66 HB VAL 10 HB VAL 10 11.903 2.922 3.638 67 HG11 VAL 10 1HG1 VAL 10 13.073 1.090 2.473 68 HG12 VAL 10 2HG1 VAL 10 12.705 1.837 0.918 69 HG13 VAL 10 3HG1 VAL 10 11.401 1.208 1.926 70 HG21 VAL 10 3HG2 VAL 10 13.632 4.501 1.842 71 HG22 VAL 10 1HG2 VAL 10 14.378 3.019 2.440 72 HG23 VAL 10 2HG2 VAL 10 13.772 4.222 3.577 73 H ALA 11 H ALA 11 9.510 3.691 3.751 74 HA ALA 11 HA ALA 11 7.813 1.654 2.599 75 HB1 ALA 11 3HB ALA 11 7.767 1.775 4.936 76 HB2 ALA 11 1HB ALA 11 6.295 2.656 4.529 77 HB3 ALA 11 2HB ALA 11 7.766 3.538 4.940 78 H ALA 12 H ALA 12 7.696 5.203 2.741 79 HA ALA 12 HA ALA 12 5.065 5.534 1.631 80 HB1 ALA 12 3HB ALA 12 7.513 7.330 1.526 81 HB2 ALA 12 1HB ALA 12 6.383 7.247 2.878 82 HB3 ALA 12 2HB ALA 12 5.840 7.850 1.312 83 H ALA 13 H ALA 13 8.319 5.325 0.166 84 HA ALA 13 HA ALA 13 7.523 5.893 -2.536 85 HB1 ALA 13 3HB ALA 13 9.848 5.905 -1.586 86 HB2 ALA 13 1HB ALA 13 9.720 4.944 -3.059 87 HB3 ALA 13 2HB ALA 13 9.776 4.145 -1.488 88 H VAL 14 H VAL 14 7.798 2.857 -0.680 89 HA VAL 14 HA VAL 14 7.178 1.050 -2.806 90 HB VAL 14 HB VAL 14 6.915 1.030 0.206 91 HG11 VAL 14 1HG1 VAL 14 6.307 -1.229 -1.725 92 HG12 VAL 14 2HG1 VAL 14 5.179 -0.483 -0.597 93 HG13 VAL 14 3HG1 VAL 14 6.530 -1.440 0.009 94 HG21 VAL 14 3HG2 VAL 14 8.721 -0.454 -1.730 95 HG22 VAL 14 1HG2 VAL 14 8.811 -0.530 0.029 96 HG23 VAL 14 2HG2 VAL 14 9.177 0.977 -0.807 97 H ALA 15 H ALA 15 5.110 2.807 -0.485 98 HA ALA 15 HA ALA 15 2.606 1.654 -1.267 99 HB1 ALA 15 3HB ALA 15 3.064 4.484 -0.297 100 HB2 ALA 15 1HB ALA 15 3.262 3.097 0.773 101 HB3 ALA 15 2HB ALA 15 1.692 3.431 0.043 102 H SER 16 H SER 16 4.439 4.475 -2.439 103 HA SER 16 HA SER 16 2.498 5.506 -4.273 104 HG SER 16 HG SER 16 5.211 7.050 -2.809 105 HB2 SER 16 2HB SER 16 5.531 5.540 -4.203 106 HB3 SER 16 1HB SER 16 4.577 6.511 -5.320 107 H LYS 17 H LYS 17 5.056 3.036 -4.629 108 HA LYS 17 HA LYS 17 4.763 2.619 -7.446 109 HB2 LYS 17 2HB LYS 17 6.513 1.791 -5.627 110 HB3 LYS 17 1HB LYS 17 5.448 0.387 -5.559 111 HG2 LYS 17 2HG LYS 17 6.826 -0.298 -7.276 112 HG3 LYS 17 1HG LYS 17 5.627 0.587 -8.216 113 HD2 LYS 17 2HD LYS 17 7.337 2.603 -7.507 114 HD3 LYS 17 1HD LYS 17 8.453 1.248 -7.673 115 HE2 LYS 17 2HE LYS 17 6.387 1.929 -9.792 116 HE3 LYS 17 1HE LYS 17 8.047 2.555 -9.824 117 HZ1 LYS 17 3HZ LYS 17 8.869 0.272 -9.669 118 HZ2 LYS 17 1HZ LYS 17 7.905 0.476 -11.051 119 HZ3 LYS 17 2HZ LYS 17 7.273 -0.318 -9.691 120 H ILE 18 H ILE 18 3.084 1.203 -4.631 121 HA ILE 18 HA ILE 18 1.621 -0.815 -6.026 122 HB ILE 18 HB ILE 18 1.224 0.772 -3.486 123 HG12 ILE 18 2HG1 ILE 18 2.092 -2.011 -4.255 124 HG13 ILE 18 1HG1 ILE 18 2.905 -0.849 -3.208 125 HG21 ILE 18 1HG2 ILE 18 -1.028 0.232 -4.413 126 HG22 ILE 18 2HG2 ILE 18 -0.691 -0.655 -2.927 127 HG23 ILE 18 3HG2 ILE 18 -0.567 -1.468 -4.487 128 HD11 ILE 18 3HD1 ILE 18 0.429 -2.478 -2.584 129 HD12 ILE 18 1HD1 ILE 18 0.958 -1.121 -1.591 130 HD13 ILE 18 2HD1 ILE 18 1.992 -2.538 -1.769 131 H VAL 19 H VAL 19 0.928 2.645 -5.480 132 HA VAL 19 HA VAL 19 -1.755 2.637 -6.501 133 HB VAL 19 HB VAL 19 0.437 4.722 -6.286 134 HG11 VAL 19 1HG1 VAL 19 -0.787 5.805 -7.903 135 HG12 VAL 19 2HG1 VAL 19 -1.794 6.218 -6.516 136 HG13 VAL 19 3HG1 VAL 19 -2.248 4.877 -7.567 137 HG21 VAL 19 3HG2 VAL 19 -2.189 4.469 -4.795 138 HG22 VAL 19 1HG2 VAL 19 -0.810 5.484 -4.380 139 HG23 VAL 19 2HG2 VAL 19 -0.692 3.731 -4.224 140 H GLY 20 H GLY 20 1.372 3.367 -8.129 141 HA2 GLY 20 2HA GLY 20 0.097 3.592 -10.751 142 HA3 GLY 20 1HA GLY 20 1.832 3.594 -10.442 143 H LEU 21 H LEU 21 1.196 0.934 -8.849 144 HA LEU 21 HA LEU 21 1.592 -0.837 -11.206 145 HG LEU 21 HG LEU 21 1.715 -3.282 -9.888 146 HB2 LEU 21 2HB LEU 21 3.206 -0.735 -9.308 147 HB3 LEU 21 1HB LEU 21 1.929 -1.272 -8.221 148 HD11 LEU 21 1HD1 LEU 21 3.953 -3.848 -10.880 149 HD12 LEU 21 2HD1 LEU 21 4.502 -2.227 -10.455 150 HD13 LEU 21 3HD1 LEU 21 3.195 -2.439 -11.622 151 HD21 LEU 21 3HD2 LEU 21 4.105 -3.992 -8.609 152 HD22 LEU 21 1HD2 LEU 21 2.479 -4.180 -7.957 153 HD23 LEU 21 2HD2 LEU 21 3.416 -2.736 -7.583 154 H TRP 22 H TRP 22 -0.827 -0.053 -8.833 155 HA TRP 22 HA TRP 22 -2.181 -2.577 -8.676 156 HD1 TRP 22 HD1 TRP 22 -4.112 -3.352 -7.565 157 HE1 TRP 22 HE1 TRP 22 -6.666 -3.373 -7.241 158 HE3 TRP 22 HE3 TRP 22 -5.079 1.651 -7.876 159 HZ2 TRP 22 HZ2 TRP 22 -8.839 -1.516 -7.135 160 HZ3 TRP 22 HZ3 TRP 22 -7.399 2.497 -7.663 161 HH2 TRP 22 HH2 TRP 22 -9.279 0.923 -7.290 162 HB2 TRP 22 2HB TRP 22 -2.449 -0.830 -7.017 163 HB3 TRP 22 1HB TRP 22 -3.023 0.303 -8.238 164 H ARG 23 H ARG 23 -3.721 -3.459 -9.972 165 HA ARG 23 HA ARG 23 -4.463 -2.054 -12.502 166 HE ARG 23 HE ARG 23 -3.177 -5.391 -16.441 167 HB2 ARG 23 2HB ARG 23 -3.312 -4.466 -12.060 168 HB3 ARG 23 1HB ARG 23 -5.005 -4.950 -12.001 169 HG2 ARG 23 2HG ARG 23 -5.372 -3.875 -14.210 170 HG3 ARG 23 1HG ARG 23 -3.668 -3.430 -14.262 171 HD2 ARG 23 2HD ARG 23 -3.658 -6.183 -13.684 172 HD3 ARG 23 1HD ARG 23 -4.899 -5.977 -14.936 173 HH11 ARG 23 1HH2 ARG 23 -1.433 -6.593 -14.049 174 HH12 ARG 23 2HH2 ARG 23 -0.139 -5.443 -14.069 175 HH21 ARG 23 2HH1 ARG 23 -1.824 -3.177 -16.091 176 HH22 ARG 23 1HH1 ARG 23 -0.363 -3.501 -15.221 177 H ASN 24 H ASN 24 -6.794 -3.568 -13.064 178 HA ASN 24 HA ASN 24 -8.910 -2.183 -11.918 179 HB2 ASN 24 2HB ASN 24 -8.473 -4.687 -13.365 180 HB3 ASN 24 1HB ASN 24 -9.878 -4.783 -12.306 181 HD21 ASN 24 1HD2 ASN 24 -10.077 -4.729 -15.201 182 HD22 ASN 24 2HD2 ASN 24 -10.877 -3.295 -15.633 183 H GLU 25 H GLU 25 -7.514 -5.257 -10.701 184 HA GLU 25 HA GLU 25 -8.303 -4.561 -7.953 185 HB2 GLU 25 2HB GLU 25 -9.805 -6.479 -7.692 186 HB3 GLU 25 1HB GLU 25 -10.365 -5.473 -9.027 187 HG2 GLU 25 2HG GLU 25 -8.572 -7.255 -10.223 188 HG3 GLU 25 1HG GLU 25 -9.455 -8.245 -9.062 189 H LYS 26 H LYS 26 -5.787 -5.276 -9.421 190 HA LYS 26 HA LYS 26 -4.834 -7.353 -7.534 191 HB2 LYS 26 2HB LYS 26 -5.824 -8.327 -9.724 192 HB3 LYS 26 1HB LYS 26 -4.391 -7.659 -10.503 193 HG2 LYS 26 2HG LYS 26 -2.964 -9.152 -9.480 194 HG3 LYS 26 1HG LYS 26 -3.961 -9.270 -8.030 195 HD2 LYS 26 2HD LYS 26 -4.589 -11.283 -8.865 196 HD3 LYS 26 1HD LYS 26 -5.629 -10.339 -9.931 197 HE2 LYS 26 2HE LYS 26 -2.845 -10.564 -10.894 198 HE3 LYS 26 1HE LYS 26 -3.717 -12.108 -10.822 199 HZ1 LYS 26 3HZ LYS 26 -4.902 -9.636 -11.961 200 HZ2 LYS 26 1HZ LYS 26 -5.494 -11.222 -12.084 201 HZ3 LYS 26 2HZ LYS 26 -4.076 -10.779 -12.911 202 H THR 27 H THR 27 -2.433 -7.522 -7.591 203 HA THR 27 HA THR 27 -0.926 -5.496 -9.106 204 HB THR 27 HB THR 27 -1.913 -4.280 -7.170 205 HG1 THR 27 HG1 THR 27 -0.062 -3.277 -6.715 206 HG21 THR 27 3HG2 THR 27 -0.182 -5.518 -5.167 207 HG22 THR 27 1HG2 THR 27 -1.414 -6.623 -5.777 208 HG23 THR 27 2HG2 THR 27 -1.888 -5.083 -5.061 209 H GLU 28 H GLU 28 1.273 -6.056 -9.233 210 HA GLU 28 HA GLU 28 2.007 -8.689 -8.024 211 HB2 GLU 28 2HB GLU 28 2.444 -7.270 -10.545 212 HB3 GLU 28 1HB GLU 28 3.948 -7.904 -9.878 213 HG2 GLU 28 2HG GLU 28 1.876 -9.882 -9.580 214 HG3 GLU 28 1HG GLU 28 1.933 -9.346 -11.259 215 H LEU 29 H LEU 29 3.040 -8.361 -6.057 216 HA LEU 29 HA LEU 29 5.007 -6.102 -5.877 217 HG LEU 29 HG LEU 29 1.800 -6.793 -4.838 218 HB2 LEU 29 2HB LEU 29 3.679 -7.581 -3.598 219 HB3 LEU 29 1HB LEU 29 4.425 -5.988 -3.565 220 HD11 LEU 29 1HD1 LEU 29 2.683 -4.888 -2.675 221 HD12 LEU 29 2HD1 LEU 29 1.476 -6.172 -2.590 222 HD13 LEU 29 3HD1 LEU 29 1.127 -4.692 -3.482 223 HD21 LEU 29 3HD2 LEU 29 2.097 -5.245 -6.456 224 HD22 LEU 29 1HD2 LEU 29 3.671 -4.799 -5.798 225 HD23 LEU 29 2HD2 LEU 29 2.210 -4.011 -5.204 226 H LEU 30 H LEU 30 7.148 -6.656 -5.591 227 HA LEU 30 HA LEU 30 9.083 -7.966 -5.256 228 HG LEU 30 HG LEU 30 9.919 -9.950 -3.887 229 HB2 LEU 30 2HB LEU 30 7.811 -7.994 -2.993 230 HB3 LEU 30 1HB LEU 30 7.353 -9.636 -3.427 231 HD11 LEU 30 1HD1 LEU 30 10.533 -7.588 -3.624 232 HD12 LEU 30 2HD1 LEU 30 11.312 -8.559 -2.376 233 HD13 LEU 30 3HD1 LEU 30 9.892 -7.590 -1.980 234 HD21 LEU 30 3HD2 LEU 30 8.323 -10.749 -1.905 235 HD22 LEU 30 1HD2 LEU 30 9.328 -9.643 -0.971 236 HD23 LEU 30 2HD2 LEU 30 10.067 -10.995 -1.828 237 H GLY 31 H GLY 31 7.112 -8.769 -7.372 238 HA2 GLY 31 2HA GLY 31 7.066 -10.492 -8.983 239 HA3 GLY 31 1HA GLY 31 8.294 -11.340 -8.044 240 H HIS 32 H HIS 32 5.347 -10.315 -6.472 241 HA HIS 32 HA HIS 32 4.373 -13.148 -6.446 242 HD1 HIS 32 HD1 HIS 32 5.813 -14.416 -5.306 243 HD2 HIS 32 HD2 HIS 32 6.743 -11.175 -2.853 244 HE1 HIS 32 HE1 HIS 32 8.117 -14.872 -4.357 245 HB2 HIS 32 2HB HIS 32 4.394 -11.016 -4.283 246 HB3 HIS 32 1HB HIS 32 3.685 -12.614 -4.109 247 H GLU 33 H GLU 33 1.981 -13.305 -6.161 248 HA GLU 33 HA GLU 33 0.597 -11.080 -7.542 249 HB2 GLU 33 2HB GLU 33 0.416 -13.600 -8.067 250 HB3 GLU 33 1HB GLU 33 -0.579 -13.706 -6.613 251 HG2 GLU 33 2HG GLU 33 -2.290 -12.412 -7.522 252 HG3 GLU 33 1HG GLU 33 -1.211 -11.597 -8.653 253 H CYS 34 H CYS 34 -0.419 -9.541 -6.385 254 HA CYS 34 HA CYS 34 -1.465 -10.199 -3.651 255 HB2 CYS 34 2HB CYS 34 -0.032 -7.809 -4.798 256 HB3 CYS 34 1HB CYS 34 -1.041 -7.640 -3.366 257 H LYS 35 H LYS 35 -3.373 -8.797 -3.067 258 HA LYS 35 HA LYS 35 -4.930 -7.995 -5.498 259 HB2 LYS 35 2HB LYS 35 -5.516 -10.187 -4.323 260 HB3 LYS 35 1HB LYS 35 -6.060 -9.198 -2.967 261 HG2 LYS 35 2HG LYS 35 -8.048 -9.079 -4.042 262 HG3 LYS 35 1HG LYS 35 -7.249 -7.971 -5.154 263 HD2 LYS 35 2HD LYS 35 -6.579 -9.904 -6.566 264 HD3 LYS 35 1HD LYS 35 -7.449 -10.981 -5.474 265 HE2 LYS 35 2HE LYS 35 -8.873 -8.627 -6.724 266 HE3 LYS 35 1HE LYS 35 -8.697 -10.152 -7.613 267 HZ1 LYS 35 3HZ LYS 35 -10.719 -10.140 -6.261 268 HZ2 LYS 35 1HZ LYS 35 -9.797 -9.880 -4.862 269 HZ3 LYS 35 2HZ LYS 35 -9.634 -11.334 -5.727 270 H PHE 36 H PHE 36 -5.045 -5.810 -5.413 271 HA PHE 36 HA PHE 36 -5.584 -4.474 -2.783 272 HD1 PHE 36 HD1 PHE 36 -6.292 -1.520 -4.728 273 HD2 PHE 36 HD2 PHE 36 -2.784 -2.455 -2.428 274 HE1 PHE 36 HE1 PHE 36 -6.421 0.696 -3.630 275 HE2 PHE 36 HE2 PHE 36 -2.917 -0.236 -1.331 276 HZ PHE 36 HZ PHE 36 -4.735 1.337 -1.929 277 HB2 PHE 36 2HB PHE 36 -3.487 -3.938 -4.103 278 HB3 PHE 36 1HB PHE 36 -4.519 -3.351 -5.401 279 H THR 37 H THR 37 -7.540 -3.282 -2.640 280 HA THR 37 HA THR 37 -9.101 -2.868 -5.154 281 HB THR 37 HB THR 37 -11.095 -3.805 -3.847 282 HG1 THR 37 HG1 THR 37 -10.187 -3.763 -1.794 283 HG21 THR 37 3HG2 THR 37 -8.924 -5.859 -4.246 284 HG22 THR 37 1HG2 THR 37 -9.640 -5.009 -5.617 285 HG23 THR 37 2HG2 THR 37 -10.652 -6.006 -4.571 286 H VAL 38 H VAL 38 -10.819 -1.281 -4.926 287 HA VAL 38 HA VAL 38 -10.610 0.463 -2.499 288 HB VAL 38 HB VAL 38 -10.775 1.245 -5.430 289 HG11 VAL 38 1HG1 VAL 38 -10.493 3.023 -2.987 290 HG12 VAL 38 2HG1 VAL 38 -12.008 2.772 -3.854 291 HG13 VAL 38 3HG1 VAL 38 -10.647 3.546 -4.665 292 HG21 VAL 38 3HG2 VAL 38 -8.525 2.272 -4.906 293 HG22 VAL 38 1HG2 VAL 38 -8.541 0.510 -4.855 294 HG23 VAL 38 2HG2 VAL 38 -8.569 1.435 -3.355 295 H LYS 39 H LYS 39 -12.607 0.876 -1.589 296 HA LYS 39 HA LYS 39 -15.041 0.508 -3.300 297 HB2 LYS 39 2HB LYS 39 -14.274 -1.304 -1.526 298 HB3 LYS 39 1HB LYS 39 -15.008 -0.184 -0.380 299 HG2 LYS 39 2HG LYS 39 -16.615 -0.746 -2.805 300 HG3 LYS 39 1HG LYS 39 -16.405 -2.109 -1.706 301 HD2 LYS 39 2HD LYS 39 -17.653 -1.143 -0.054 302 HD3 LYS 39 1HD LYS 39 -17.062 0.478 -0.415 303 HE2 LYS 39 2HE LYS 39 -19.144 0.807 -1.306 304 HE3 LYS 39 1HE LYS 39 -18.525 -0.120 -2.686 305 HZ1 LYS 39 3HZ LYS 39 -19.246 -2.156 -1.625 306 HZ2 LYS 39 1HZ LYS 39 -20.566 -1.102 -1.775 307 HZ3 LYS 39 2HZ LYS 39 -19.806 -1.296 -0.269 308 HA PRO 40 HA PRO 40 -15.227 4.620 -1.228 309 HB2 PRO 40 2HB PRO 40 -15.983 6.017 -3.446 310 HB3 PRO 40 1HB PRO 40 -14.286 5.659 -3.074 311 HG2 PRO 40 2HG PRO 40 -16.098 4.387 -5.042 312 HG3 PRO 40 1HG PRO 40 -14.357 4.669 -5.130 313 HD2 PRO 40 2HD PRO 40 -15.556 2.247 -4.533 314 HD3 PRO 40 1HD PRO 40 -13.874 2.679 -4.163 315 H TYR 41 H TYR 41 -17.191 5.916 -0.818 316 HA TYR 41 HA TYR 41 -19.725 4.842 -1.958 317 HD1 TYR 41 HD1 TYR 41 -18.768 6.481 2.043 318 HD2 TYR 41 HD2 TYR 41 -17.955 2.586 0.428 319 HE1 TYR 41 HE1 TYR 41 -16.866 6.228 3.612 320 HE2 TYR 41 HE2 TYR 41 -16.049 2.336 1.994 321 HH TYR 41 HH TYR 41 -15.638 3.922 4.646 322 HB2 TYR 41 2HB TYR 41 -20.411 5.309 0.667 323 HB3 TYR 41 1HB TYR 41 -20.075 3.731 -0.019 324 H LEU 42 H LEU 42 -21.597 6.303 -1.048 325 HA LEU 42 HA LEU 42 -20.678 9.148 -0.922 326 HG LEU 42 HG LEU 42 -21.464 10.695 -2.094 327 HB2 LEU 42 2HB LEU 42 -21.421 8.101 -3.227 328 HB3 LEU 42 1HB LEU 42 -23.045 8.324 -2.578 329 HD11 LEU 42 1HD1 LEU 42 -21.242 11.371 -4.501 330 HD12 LEU 42 2HD1 LEU 42 -21.619 9.710 -4.957 331 HD13 LEU 42 3HD1 LEU 42 -20.155 10.062 -4.039 332 HD21 LEU 42 3HD2 LEU 42 -23.343 11.741 -3.323 333 HD22 LEU 42 1HD2 LEU 42 -23.928 10.582 -2.130 334 HD23 LEU 42 2HD2 LEU 42 -23.889 10.145 -3.838 335 H LYS 43 H LYS 43 -22.226 10.598 0.011 336 HA LYS 43 HA LYS 43 -24.481 9.330 1.520 337 HB2 LYS 43 2HB LYS 43 -22.133 10.021 2.633 338 HB3 LYS 43 1HB LYS 43 -22.910 11.603 2.661 339 HG2 LYS 43 2HG LYS 43 -24.553 10.924 4.145 340 HG3 LYS 43 1HG LYS 43 -24.486 9.245 3.614 341 HD2 LYS 43 2HD LYS 43 -23.074 8.747 5.290 342 HD3 LYS 43 1HD LYS 43 -21.929 9.952 4.702 343 HE2 LYS 43 2HE LYS 43 -24.339 10.733 6.366 344 HE3 LYS 43 1HE LYS 43 -22.786 10.296 7.104 345 HZ1 LYS 43 3HZ LYS 43 -21.777 11.915 5.442 346 HZ2 LYS 43 1HZ LYS 43 -22.637 12.593 6.737 347 HZ3 LYS 43 2HZ LYS 43 -23.355 12.495 5.201 348 H ARG 44 H ARG 44 -25.861 11.295 2.456 349 HA ARG 44 HA ARG 44 -27.266 12.607 0.497 350 HE ARG 44 HE ARG 44 -25.445 13.126 6.105 351 HB2 ARG 44 2HB ARG 44 -27.884 14.231 2.286 352 HB3 ARG 44 1HB ARG 44 -27.885 12.564 2.857 353 HG2 ARG 44 2HG ARG 44 -25.557 12.933 3.737 354 HG3 ARG 44 1HG ARG 44 -25.714 14.635 3.300 355 HD2 ARG 44 2HD ARG 44 -27.450 15.002 4.882 356 HD3 ARG 44 1HD ARG 44 -27.747 13.263 5.075 357 HH11 ARG 44 2HH1 ARG 44 -24.426 15.828 5.460 358 HH12 ARG 44 1HH1 ARG 44 -24.723 16.714 6.920 359 HH21 ARG 44 1HH2 ARG 44 -26.984 14.392 8.177 360 HH22 ARG 44 2HH2 ARG 44 -26.175 15.897 8.464 361 H PHE 45 H PHE 45 -24.245 13.821 1.950 362 HA PHE 45 HA PHE 45 -23.833 15.555 -0.405 363 HD1 PHE 45 HD1 PHE 45 -22.852 18.210 -0.477 364 HD2 PHE 45 HD2 PHE 45 -26.801 17.354 0.982 365 HE1 PHE 45 HE1 PHE 45 -23.808 19.783 -2.138 366 HE2 PHE 45 HE2 PHE 45 -27.755 18.926 -0.679 367 HZ PHE 45 HZ PHE 45 -26.260 20.141 -2.239 368 HB2 PHE 45 2HB PHE 45 -24.938 16.457 2.097 369 HB3 PHE 45 1HB PHE 45 -23.352 17.194 1.877 370 H GLN 46 H GLN 46 -22.461 13.212 0.986 371 HA GLN 46 HA GLN 46 -19.759 14.477 1.166 372 HB2 GLN 46 2HB GLN 46 -21.228 12.829 3.216 373 HB3 GLN 46 1HB GLN 46 -19.465 12.821 3.174 374 HG2 GLN 46 2HG GLN 46 -19.300 15.066 3.760 375 HG3 GLN 46 1HG GLN 46 -20.899 15.456 3.129 376 HE21 GLN 46 1HE2 GLN 46 -19.190 14.041 5.907 377 HE22 GLN 46 2HE2 GLN 46 -20.522 14.080 6.959 378 H VAL 47 H VAL 47 -18.147 13.193 0.273 379 HA VAL 47 HA VAL 47 -18.916 10.430 -0.610 380 HB VAL 47 HB VAL 47 -17.058 12.427 -1.950 381 HG11 VAL 47 1HG1 VAL 47 -18.113 9.694 -2.703 382 HG12 VAL 47 2HG1 VAL 47 -16.433 10.218 -2.594 383 HG13 VAL 47 3HG1 VAL 47 -17.458 10.809 -3.901 384 HG21 VAL 47 3HG2 VAL 47 -19.993 11.913 -2.178 385 HG22 VAL 47 1HG2 VAL 47 -19.105 12.205 -3.673 386 HG23 VAL 47 2HG2 VAL 47 -19.099 13.417 -2.393 387 H TYR 48 H TYR 48 -17.631 8.872 0.323 388 HA TYR 48 HA TYR 48 -14.929 9.715 1.324 389 HD1 TYR 48 HD2 TYR 48 -14.440 10.190 3.718 390 HD2 TYR 48 HD1 TYR 48 -18.615 9.257 3.312 391 HE1 TYR 48 HE2 TYR 48 -15.013 12.117 5.171 392 HE2 TYR 48 HE1 TYR 48 -19.186 11.183 4.765 393 HH TYR 48 HH TYR 48 -17.064 12.700 6.731 394 HB2 TYR 48 2HB TYR 48 -17.022 7.812 2.393 395 HB3 TYR 48 1HB TYR 48 -15.370 7.836 3.007 396 H TYR 49 H TYR 49 -13.189 8.441 0.731 397 HA TYR 49 HA TYR 49 -13.733 6.187 -1.156 398 HD1 TYR 49 HD2 TYR 49 -14.365 8.431 -2.082 399 HD2 TYR 49 HD1 TYR 49 -10.629 6.981 -3.631 400 HE1 TYR 49 HE2 TYR 49 -15.143 8.888 -4.392 401 HE2 TYR 49 HE1 TYR 49 -11.402 7.449 -5.938 402 HH TYR 49 HH TYR 49 -13.294 9.232 -6.918 403 HB2 TYR 49 2HB TYR 49 -11.720 8.331 -0.820 404 HB3 TYR 49 1HB TYR 49 -11.072 6.782 -1.347 405 H LYS 50 H LYS 50 -13.175 4.120 -0.531 406 HA LYS 50 HA LYS 50 -11.370 3.796 1.845 407 HB2 LYS 50 2HB LYS 50 -13.921 3.369 2.062 408 HB3 LYS 50 1HB LYS 50 -13.623 1.930 1.090 409 HG2 LYS 50 2HG LYS 50 -11.677 2.191 3.244 410 HG3 LYS 50 1HG LYS 50 -13.326 2.146 3.864 411 HD2 LYS 50 2HD LYS 50 -12.840 0.191 1.727 412 HD3 LYS 50 1HD LYS 50 -11.833 -0.068 3.150 413 HE2 LYS 50 2HE LYS 50 -14.747 0.502 3.586 414 HE3 LYS 50 1HE LYS 50 -14.277 -1.116 3.032 415 HZ1 LYS 50 3HZ LYS 50 -12.622 -1.191 4.820 416 HZ2 LYS 50 1HZ LYS 50 -14.192 -1.015 5.439 417 HZ3 LYS 50 2HZ LYS 50 -13.150 0.326 5.380 418 H GLY 51 H GLY 51 -10.063 1.814 1.776 419 HA2 GLY 51 2HA GLY 51 -10.099 0.196 -0.657 420 HA3 GLY 51 1HA GLY 51 -8.698 1.252 -0.532 421 H ARG 52 H ARG 52 -9.104 -1.763 -0.366 422 HA ARG 52 HA ARG 52 -7.405 -2.164 2.053 423 HE ARG 52 HE ARG 52 -10.492 -6.331 2.899 424 HB2 ARG 52 2HB ARG 52 -9.775 -2.637 2.613 425 HB3 ARG 52 1HB ARG 52 -9.853 -3.784 1.275 426 HG2 ARG 52 2HG ARG 52 -8.480 -5.334 2.339 427 HG3 ARG 52 1HG ARG 52 -7.701 -4.109 3.341 428 HD2 ARG 52 2HD ARG 52 -9.122 -4.693 5.010 429 HD3 ARG 52 1HD ARG 52 -10.445 -4.028 4.033 430 HH11 ARG 52 1HH2 ARG 52 -11.592 -6.202 5.773 431 HH12 ARG 52 2HH2 ARG 52 -10.902 -7.643 6.443 432 HH21 ARG 52 2HH1 ARG 52 -8.579 -8.032 3.883 433 HH22 ARG 52 1HH1 ARG 52 -9.186 -8.681 5.369 434 H MET 53 H MET 53 -5.883 -3.878 1.779 435 HA MET 53 HA MET 53 -5.998 -5.364 -0.807 436 HB2 MET 53 2HB MET 53 -3.673 -4.759 -1.247 437 HB3 MET 53 1HB MET 53 -4.625 -3.295 -1.016 438 HG2 MET 53 2HG MET 53 -3.569 -2.759 0.945 439 HG3 MET 53 1HG MET 53 -3.389 -4.441 1.432 440 HE1 MET 53 3HE MET 53 -1.292 -5.865 -1.046 441 HE2 MET 53 1HE MET 53 -2.183 -6.015 0.474 442 HE3 MET 53 2HE MET 53 -0.437 -5.784 0.492 443 H TRP 54 H TRP 54 -4.741 -7.312 -0.828 444 HA TRP 54 HA TRP 54 -3.436 -8.251 1.641 445 HD1 TRP 54 HD1 TRP 54 -5.692 -11.508 -0.386 446 HE1 TRP 54 HE1 TRP 54 -7.658 -11.235 -2.031 447 HE3 TRP 54 HE3 TRP 54 -7.356 -6.877 0.986 448 HZ2 TRP 54 HZ2 TRP 54 -9.667 -9.304 -2.681 449 HZ3 TRP 54 HZ3 TRP 54 -9.292 -5.845 -0.162 450 HH2 TRP 54 HH2 TRP 54 -10.450 -7.052 -1.993 451 HB2 TRP 54 2HB TRP 54 -5.006 -10.211 1.804 452 HB3 TRP 54 1HB TRP 54 -5.784 -8.668 2.139 453 H CYS 55 H CYS 55 -2.013 -9.999 1.206 454 HA CYS 55 HA CYS 55 -1.762 -10.714 -1.692 455 HB2 CYS 55 2HB CYS 55 0.222 -10.531 0.586 456 HB3 CYS 55 1HB CYS 55 0.639 -11.129 -1.017 457 HA PRO 56 HA PRO 56 -2.809 -14.698 0.311 458 HB2 PRO 56 2HB PRO 56 -4.397 -15.624 -1.718 459 HB3 PRO 56 1HB PRO 56 -5.000 -14.569 -0.425 460 HG2 PRO 56 2HG PRO 56 -4.321 -13.920 -3.231 461 HG3 PRO 56 1HG PRO 56 -5.553 -13.219 -2.173 462 HD2 PRO 56 2HD PRO 56 -3.107 -12.060 -2.776 463 HD3 PRO 56 1HD PRO 56 -4.134 -11.627 -1.406 464 H GLY 57 H GLY 57 -0.477 -15.103 -0.143 465 HA2 GLY 57 2HA GLY 57 0.229 -17.331 -1.502 466 HA3 GLY 57 1HA GLY 57 0.230 -16.143 -2.803 467 H TRP 58 H TRP 58 1.236 -13.901 -1.484 468 HA TRP 58 HA TRP 58 4.078 -14.505 -1.387 469 HD1 TRP 58 HD1 TRP 58 5.829 -13.524 -0.409 470 HE1 TRP 58 HE1 TRP 58 7.558 -11.694 0.135 471 HE3 TRP 58 HE3 TRP 58 3.041 -9.358 -1.382 472 HZ2 TRP 58 HZ2 TRP 58 7.738 -8.839 0.153 473 HZ3 TRP 58 HZ3 TRP 58 4.015 -7.100 -1.095 474 HH2 TRP 58 HH2 TRP 58 6.358 -6.834 -0.330 475 HB2 TRP 58 2HB TRP 58 3.152 -12.430 -2.321 476 HB3 TRP 58 1HB TRP 58 2.441 -12.022 -0.768 477 H THR 59 H THR 59 1.967 -12.922 1.045 478 HA THR 59 HA THR 59 3.310 -14.484 3.191 479 HB THR 59 HB THR 59 4.574 -12.385 2.883 480 HG1 THR 59 HG1 THR 59 4.638 -12.679 4.963 481 HG21 THR 59 3HG2 THR 59 2.813 -10.388 3.753 482 HG22 THR 59 1HG2 THR 59 1.893 -11.303 2.559 483 HG23 THR 59 2HG2 THR 59 3.445 -10.591 2.120 484 H ALA 60 H ALA 60 2.091 -13.139 5.345 485 HA ALA 60 HA ALA 60 -0.831 -13.531 4.786 486 HB1 ALA 60 3HB ALA 60 0.810 -14.214 7.248 487 HB2 ALA 60 1HB ALA 60 0.220 -15.371 6.054 488 HB3 ALA 60 2HB ALA 60 -0.923 -14.492 7.070 489 H ILE 61 H ILE 61 0.352 -10.963 4.572 490 HA ILE 61 HA ILE 61 -0.651 -9.605 7.052 491 HB ILE 61 HB ILE 61 1.673 -9.014 5.197 492 HG12 ILE 61 2HG1 ILE 61 1.567 -9.326 8.214 493 HG13 ILE 61 1HG1 ILE 61 1.923 -10.658 7.114 494 HG21 ILE 61 1HG2 ILE 61 0.871 -6.848 5.558 495 HG22 ILE 61 2HG2 ILE 61 1.964 -7.054 6.925 496 HG23 ILE 61 3HG2 ILE 61 0.226 -7.243 7.150 497 HD11 ILE 61 3HD1 ILE 61 3.800 -9.243 6.166 498 HD12 ILE 61 1HD1 ILE 61 4.036 -9.761 7.836 499 HD13 ILE 61 2HD1 ILE 61 3.518 -8.111 7.489 500 H ARG 62 H ARG 62 -2.099 -7.902 6.722 501 HA ARG 62 HA ARG 62 -2.772 -7.206 3.886 502 HE ARG 62 HE ARG 62 -3.551 -11.398 6.123 503 HB2 ARG 62 2HB ARG 62 -4.633 -7.414 6.272 504 HB3 ARG 62 1HB ARG 62 -5.102 -7.157 4.596 505 HG2 ARG 62 2HG ARG 62 -5.064 -9.369 4.167 506 HG3 ARG 62 1HG ARG 62 -3.444 -9.530 4.843 507 HD2 ARG 62 2HD ARG 62 -4.684 -9.326 7.160 508 HD3 ARG 62 1HD ARG 62 -6.103 -9.830 6.222 509 HH11 ARG 62 1HH2 ARG 62 -6.094 -11.607 8.103 510 HH12 ARG 62 2HH2 ARG 62 -6.762 -13.081 7.489 511 HH21 ARG 62 2HH1 ARG 62 -4.777 -13.111 4.638 512 HH22 ARG 62 1HH1 ARG 62 -6.013 -13.936 5.527 513 H GLY 63 H GLY 63 -4.021 -5.060 3.810 514 HA2 GLY 63 2HA GLY 63 -3.513 -3.178 6.002 515 HA3 GLY 63 1HA GLY 63 -2.556 -2.867 4.555 516 H GLU 64 H GLU 64 -5.013 -1.548 5.950 517 HA GLU 64 HA GLU 64 -6.476 -1.012 3.406 518 HB2 GLU 64 2HB GLU 64 -7.939 -2.531 4.395 519 HB3 GLU 64 1HB GLU 64 -7.507 -2.044 6.032 520 HG2 GLU 64 2HG GLU 64 -8.741 0.044 5.777 521 HG3 GLU 64 1HG GLU 64 -9.069 -0.318 4.084 522 H ALA 65 H ALA 65 -7.687 1.031 3.495 523 HA ALA 65 HA ALA 65 -7.287 2.898 5.710 524 HB1 ALA 65 3HB ALA 65 -5.065 3.006 4.828 525 HB2 ALA 65 1HB ALA 65 -5.885 4.441 4.213 526 HB3 ALA 65 2HB ALA 65 -5.652 3.042 3.167 527 H SER 66 H SER 66 -8.546 4.827 5.405 528 HA SER 66 HA SER 66 -10.051 5.071 2.837 529 HG SER 66 HG SER 66 -10.824 3.505 5.991 530 HB2 SER 66 2HB SER 66 -11.570 5.396 5.379 531 HB3 SER 66 1HB SER 66 -12.100 4.737 3.838 532 H THR 67 H THR 67 -10.554 7.211 2.313 533 HA THR 67 HA THR 67 -10.573 9.373 4.260 534 HB THR 67 HB THR 67 -8.164 8.920 4.153 535 HG1 THR 67 HG1 THR 67 -8.695 11.080 4.306 536 HG21 THR 67 3HG2 THR 67 -8.581 9.209 1.172 537 HG22 THR 67 1HG2 THR 67 -7.932 7.820 2.043 538 HG23 THR 67 2HG2 THR 67 -6.992 9.308 1.931 539 H ARG 68 H ARG 68 -10.646 11.565 3.013 540 HA ARG 68 HA ARG 68 -12.660 11.393 0.939 541 HE ARG 68 HE ARG 68 -14.420 15.308 -0.516 542 HB2 ARG 68 2HB ARG 68 -11.840 13.230 2.784 543 HB3 ARG 68 1HB ARG 68 -11.134 13.906 1.317 544 HG2 ARG 68 2HG ARG 68 -13.499 13.436 0.283 545 HG3 ARG 68 1HG ARG 68 -14.026 13.413 1.966 546 HD2 ARG 68 2HD ARG 68 -13.475 15.671 2.309 547 HD3 ARG 68 1HD ARG 68 -12.324 15.693 0.956 548 HH11 ARG 68 1HH2 ARG 68 -16.321 15.328 1.835 549 HH12 ARG 68 2HH2 ARG 68 -16.905 16.958 1.802 550 HH21 ARG 68 2HH1 ARG 68 -14.358 18.104 -0.268 551 HH22 ARG 68 1HH1 ARG 68 -15.791 18.535 0.605 552 H SER 69 H SER 69 -9.151 11.641 0.888 553 HA SER 69 HA SER 69 -8.846 12.696 -1.772 554 HG SER 69 HG SER 69 -7.100 12.505 1.138 555 HB2 SER 69 2HB SER 69 -6.657 11.009 -1.136 556 HB3 SER 69 1HB SER 69 -6.748 12.754 -0.943 557 H GLN 70 H GLN 70 -8.760 11.655 -3.745 558 HA GLN 70 HA GLN 70 -9.932 9.004 -4.002 559 HB2 GLN 70 2HB GLN 70 -10.372 10.832 -5.578 560 HB3 GLN 70 1HB GLN 70 -8.657 10.936 -5.968 561 HG2 GLN 70 2HG GLN 70 -8.728 9.127 -7.348 562 HG3 GLN 70 1HG GLN 70 -9.824 8.241 -6.291 563 HE21 GLN 70 1HE2 GLN 70 -10.068 8.599 -9.251 564 HE22 GLN 70 2HE2 GLN 70 -11.561 9.367 -9.504 565 H SER 71 H SER 71 -6.732 10.356 -4.918 566 HA SER 71 HA SER 71 -5.619 7.666 -5.332 567 HG SER 71 HG SER 71 -3.980 9.051 -7.607 568 HB2 SER 71 2HB SER 71 -4.754 10.520 -5.636 569 HB3 SER 71 1HB SER 71 -3.512 9.274 -5.565 570 H GLY 72 H GLY 72 -5.571 10.187 -2.864 571 HA2 GLY 72 2HA GLY 72 -3.343 9.332 -1.333 572 HA3 GLY 72 1HA GLY 72 -4.734 10.195 -0.679 573 H VAL 73 H VAL 73 -6.740 8.209 -1.274 574 HA VAL 73 HA VAL 73 -6.524 6.528 1.026 575 HB VAL 73 HB VAL 73 -8.576 7.305 -0.360 576 HG11 VAL 73 1HG1 VAL 73 -7.674 6.290 -2.500 577 HG12 VAL 73 2HG1 VAL 73 -9.339 5.862 -2.112 578 HG13 VAL 73 3HG1 VAL 73 -8.041 4.708 -1.812 579 HG21 VAL 73 3HG2 VAL 73 -9.831 5.206 0.272 580 HG22 VAL 73 1HG2 VAL 73 -8.847 5.883 1.570 581 HG23 VAL 73 2HG2 VAL 73 -8.277 4.474 0.675 582 H ALA 74 H ALA 74 -5.756 5.913 -2.392 583 HA ALA 74 HA ALA 74 -5.248 3.089 -2.117 584 HB1 ALA 74 3HB ALA 74 -3.991 3.522 -4.294 585 HB2 ALA 74 1HB ALA 74 -4.353 5.233 -4.066 586 HB3 ALA 74 2HB ALA 74 -5.665 4.074 -4.278 587 H GLY 75 H GLY 75 -3.136 5.961 -1.941 588 HA2 GLY 75 2HA GLY 75 -0.693 4.497 -1.567 589 HA3 GLY 75 1HA GLY 75 -0.936 6.196 -1.159 590 H LYS 76 H LYS 76 -3.148 5.773 0.656 591 HA LYS 76 HA LYS 76 -1.723 5.262 3.096 592 HB2 LYS 76 2HB LYS 76 -4.607 5.631 2.288 593 HB3 LYS 76 1HB LYS 76 -4.178 5.285 3.964 594 HG2 LYS 76 2HG LYS 76 -2.382 7.267 3.333 595 HG3 LYS 76 1HG LYS 76 -3.798 7.759 2.405 596 HD2 LYS 76 2HD LYS 76 -5.168 7.451 4.514 597 HD3 LYS 76 1HD LYS 76 -3.650 7.234 5.384 598 HE2 LYS 76 2HE LYS 76 -3.609 9.498 5.606 599 HE3 LYS 76 1HE LYS 76 -3.243 9.563 3.872 600 HZ1 LYS 76 3HZ LYS 76 -5.244 10.824 4.342 601 HZ2 LYS 76 1HZ LYS 76 -5.959 9.476 5.084 602 HZ3 LYS 76 2HZ LYS 76 -5.632 9.453 3.416 603 H THR 77 H THR 77 -3.984 3.264 1.161 604 HA THR 77 HA THR 77 -4.160 1.069 3.002 605 HB THR 77 HB THR 77 -4.373 1.269 -0.024 606 HG1 THR 77 HG1 THR 77 -6.449 1.055 1.879 607 HG21 THR 77 3HG2 THR 77 -3.981 -1.062 0.677 608 HG22 THR 77 1HG2 THR 77 -5.632 -0.847 0.094 609 HG23 THR 77 2HG2 THR 77 -5.313 -0.942 1.826 610 H ALA 78 H ALA 78 -1.943 1.783 0.307 611 HA ALA 78 HA ALA 78 -0.397 -0.649 0.540 612 HB1 ALA 78 3HB ALA 78 -0.544 0.794 -1.474 613 HB2 ALA 78 1HB ALA 78 1.130 0.592 -0.959 614 HB3 ALA 78 2HB ALA 78 0.270 2.088 -0.595 615 H LYS 79 H LYS 79 -0.096 2.638 1.873 616 HA LYS 79 HA LYS 79 2.479 2.365 3.092 617 HB2 LYS 79 2HB LYS 79 1.024 4.438 2.670 618 HB3 LYS 79 1HB LYS 79 0.134 3.982 4.121 619 HG2 LYS 79 2HG LYS 79 2.610 3.835 5.129 620 HG3 LYS 79 1HG LYS 79 2.924 5.011 3.854 621 HD2 LYS 79 2HD LYS 79 0.453 5.603 5.289 622 HD3 LYS 79 1HD LYS 79 1.848 5.565 6.369 623 HE2 LYS 79 2HE LYS 79 3.050 7.130 4.850 624 HE3 LYS 79 1HE LYS 79 1.606 7.212 3.824 625 HZ1 LYS 79 3HZ LYS 79 0.320 7.960 5.720 626 HZ2 LYS 79 1HZ LYS 79 1.637 9.001 5.481 627 HZ3 LYS 79 2HZ LYS 79 1.683 7.851 6.730 628 H ASP 80 H ASP 80 -0.807 1.635 4.292 629 HA ASP 80 HA ASP 80 0.026 0.945 6.970 630 HB2 ASP 80 2HB ASP 80 -2.387 0.509 5.220 631 HB3 ASP 80 1HB ASP 80 -2.289 -0.304 6.781 632 H PHE 81 H PHE 81 -0.416 -0.935 3.975 633 HA PHE 81 HA PHE 81 0.102 -3.515 5.197 634 HD1 PHE 81 HD2 PHE 81 -0.299 -5.758 4.003 635 HD2 PHE 81 HD1 PHE 81 1.777 -3.439 1.043 636 HE1 PHE 81 HE2 PHE 81 0.850 -7.805 3.202 637 HE2 PHE 81 HE1 PHE 81 2.923 -5.488 0.242 638 HZ PHE 81 HZ PHE 81 2.460 -7.671 1.323 639 HB2 PHE 81 2HB PHE 81 -1.097 -3.394 3.117 640 HB3 PHE 81 1HB PHE 81 0.159 -2.405 2.375 641 H VAL 82 H VAL 82 2.121 -1.062 3.566 642 HA VAL 82 HA VAL 82 4.538 -2.638 3.567 643 HB VAL 82 HB VAL 82 3.710 -0.375 2.351 644 HG11 VAL 82 1HG1 VAL 82 3.869 0.913 4.508 645 HG12 VAL 82 2HG1 VAL 82 4.855 1.574 3.209 646 HG13 VAL 82 3HG1 VAL 82 5.606 0.626 4.492 647 HG21 VAL 82 3HG2 VAL 82 6.574 -1.101 3.019 648 HG22 VAL 82 1HG2 VAL 82 6.083 -0.033 1.704 649 HG23 VAL 82 2HG2 VAL 82 5.622 -1.735 1.677 650 H ARG 83 H ARG 83 3.053 -0.411 5.909 651 HA ARG 83 HA ARG 83 5.318 -0.208 7.689 652 HE ARG 83 HE ARG 83 5.137 0.630 11.693 653 HB2 ARG 83 2HB ARG 83 3.152 1.184 7.559 654 HB3 ARG 83 1HB ARG 83 2.383 -0.134 8.441 655 HG2 ARG 83 2HG ARG 83 4.944 0.809 9.589 656 HG3 ARG 83 1HG ARG 83 3.625 1.979 9.647 657 HD2 ARG 83 2HD ARG 83 2.407 0.729 11.147 658 HD3 ARG 83 1HD ARG 83 2.935 -0.811 10.444 659 HH11 ARG 83 1HH2 ARG 83 4.208 -2.401 11.628 660 HH12 ARG 83 2HH2 ARG 83 4.067 -2.681 13.330 661 HH21 ARG 83 2HH1 ARG 83 4.193 0.689 14.166 662 HH22 ARG 83 1HH1 ARG 83 4.057 -0.928 14.770 663 H LYS 84 H LYS 84 2.528 -2.433 7.523 664 HA LYS 84 HA LYS 84 3.216 -3.956 9.879 665 HB2 LYS 84 2HB LYS 84 1.263 -3.939 7.738 666 HB3 LYS 84 1HB LYS 84 1.837 -5.583 8.011 667 HG2 LYS 84 2HG LYS 84 1.510 -4.625 10.586 668 HG3 LYS 84 1HG LYS 84 0.162 -3.886 9.721 669 HD2 LYS 84 2HD LYS 84 -0.732 -5.952 10.381 670 HD3 LYS 84 1HD LYS 84 -0.201 -6.272 8.731 671 HE2 LYS 84 2HE LYS 84 0.936 -8.033 9.646 672 HE3 LYS 84 1HE LYS 84 2.085 -6.809 10.218 673 HZ1 LYS 84 3HZ LYS 84 1.220 -8.148 12.059 674 HZ2 LYS 84 1HZ LYS 84 -0.365 -7.681 11.666 675 HZ3 LYS 84 2HZ LYS 84 0.753 -6.520 12.209 676 H ALA 85 H ALA 85 3.998 -4.273 6.421 677 HA ALA 85 HA ALA 85 5.406 -6.785 6.612 678 HB1 ALA 85 3HB ALA 85 4.456 -5.654 4.552 679 HB2 ALA 85 1HB ALA 85 6.118 -6.216 4.362 680 HB3 ALA 85 2HB ALA 85 5.793 -4.506 4.645 681 H PHE 86 H PHE 86 6.364 -3.383 6.969 682 HA PHE 86 HA PHE 86 9.213 -3.779 7.038 683 HD1 PHE 86 HD2 PHE 86 10.947 -1.639 7.899 684 HD2 PHE 86 HD1 PHE 86 7.620 -0.895 5.288 685 HE1 PHE 86 HE2 PHE 86 12.476 -0.593 6.251 686 HE2 PHE 86 HE1 PHE 86 9.149 0.151 3.640 687 HZ PHE 86 HZ PHE 86 11.576 0.301 4.122 688 HB2 PHE 86 2HB PHE 86 7.236 -1.692 7.478 689 HB3 PHE 86 1HB PHE 86 8.500 -1.601 8.698 690 H GLN 87 H GLN 87 6.682 -3.794 9.548 691 HA GLN 87 HA GLN 87 8.393 -4.048 11.837 692 HB2 GLN 87 2HB GLN 87 5.960 -3.421 11.744 693 HB3 GLN 87 1HB GLN 87 5.583 -5.101 11.378 694 HG2 GLN 87 2HG GLN 87 7.233 -5.283 13.612 695 HG3 GLN 87 1HG GLN 87 6.238 -3.866 13.950 696 HE21 GLN 87 1HE2 GLN 87 4.593 -4.636 15.320 697 HE22 GLN 87 2HE2 GLN 87 3.631 -5.995 14.991 698 H LYS 88 H LYS 88 6.857 -6.485 9.722 699 HA LYS 88 HA LYS 88 7.807 -8.758 11.279 700 HB2 LYS 88 2HB LYS 88 6.013 -8.213 9.149 701 HB3 LYS 88 1HB LYS 88 7.190 -9.366 8.522 702 HG2 LYS 88 2HG LYS 88 5.797 -9.741 11.183 703 HG3 LYS 88 1HG LYS 88 5.161 -10.392 9.672 704 HD2 LYS 88 2HD LYS 88 7.156 -11.721 9.329 705 HD3 LYS 88 1HD LYS 88 7.949 -10.964 10.712 706 HE2 LYS 88 2HE LYS 88 5.882 -11.859 12.064 707 HE3 LYS 88 1HE LYS 88 5.702 -12.971 10.693 708 HZ1 LYS 88 3HZ LYS 88 7.190 -13.930 12.321 709 HZ2 LYS 88 1HZ LYS 88 8.170 -12.545 12.300 710 HZ3 LYS 88 2HZ LYS 88 8.067 -13.535 10.921 711 H GLY 89 H GLY 89 8.731 -7.478 8.051 712 HA2 GLY 89 2HA GLY 89 11.296 -7.198 7.877 713 HA3 GLY 89 1HA GLY 89 11.326 -8.898 8.332 714 H LEU 90 H LEU 90 9.363 -6.996 6.009 715 HA LEU 90 HA LEU 90 10.079 -9.038 3.935 716 HG LEU 90 HG LEU 90 7.912 -10.149 5.118 717 HB2 LEU 90 2HB LEU 90 7.551 -7.759 4.813 718 HB3 LEU 90 1HB LEU 90 7.745 -7.919 3.069 719 HD11 LEU 90 1HD1 LEU 90 6.038 -9.954 2.764 720 HD12 LEU 90 2HD1 LEU 90 5.644 -9.172 4.296 721 HD13 LEU 90 3HD1 LEU 90 5.871 -10.920 4.230 722 HD21 LEU 90 3HD2 LEU 90 8.696 -9.975 2.229 723 HD22 LEU 90 1HD2 LEU 90 7.952 -11.468 2.802 724 HD23 LEU 90 2HD2 LEU 90 9.446 -10.889 3.538 725 H ILE 91 H ILE 91 9.115 -5.605 4.356 726 HA ILE 91 HA ILE 91 10.269 -4.916 1.728 727 HB ILE 91 HB ILE 91 8.970 -3.223 3.896 728 HG12 ILE 91 2HG1 ILE 91 7.505 -5.059 3.000 729 HG13 ILE 91 1HG1 ILE 91 6.905 -3.447 2.621 730 HG21 ILE 91 1HG2 ILE 91 8.452 -1.915 1.611 731 HG22 ILE 91 2HG2 ILE 91 9.969 -2.681 1.139 732 HG23 ILE 91 3HG2 ILE 91 9.919 -1.620 2.546 733 HD11 ILE 91 3HD1 ILE 91 6.758 -4.867 0.632 734 HD12 ILE 91 1HD1 ILE 91 8.472 -5.257 0.756 735 HD13 ILE 91 2HD1 ILE 91 7.968 -3.612 0.372 736 H SER 92 H SER 92 12.495 -5.604 2.522 737 HA SER 92 HA SER 92 13.839 -4.061 4.589 738 HG SER 92 HG SER 92 16.741 -5.750 3.103 739 HB2 SER 92 2HB SER 92 14.560 -6.293 4.079 740 HB3 SER 92 1HB SER 92 14.714 -5.925 2.367 741 H GLN 93 H GLN 93 16.009 -2.903 3.873 742 HA GLN 93 HA GLN 93 15.304 -0.590 2.313 743 HB2 GLN 93 2HB GLN 93 17.959 -1.690 3.291 744 HB3 GLN 93 1HB GLN 93 17.743 -0.066 2.639 745 HG2 GLN 93 2HG GLN 93 16.223 -1.152 5.028 746 HG3 GLN 93 1HG GLN 93 17.666 -0.148 5.146 747 HE21 GLN 93 1HE2 GLN 93 14.354 0.085 5.274 748 HE22 GLN 93 2HE2 GLN 93 14.163 1.685 4.739 749 H GLN 94 H GLN 94 17.785 -3.093 1.610 750 HA GLN 94 HA GLN 94 18.217 -2.259 -1.110 751 HB2 GLN 94 2HB GLN 94 18.632 -4.974 0.192 752 HB3 GLN 94 1HB GLN 94 19.458 -4.370 -1.245 753 HG2 GLN 94 2HG GLN 94 20.011 -2.356 0.487 754 HG3 GLN 94 1HG GLN 94 19.905 -3.706 1.616 755 HE21 GLN 94 1HE2 GLN 94 21.675 -2.495 -1.231 756 HE22 GLN 94 2HE2 GLN 94 22.992 -3.556 -1.066 757 H GLU 95 H GLU 95 16.104 -4.732 0.340 758 HA GLU 95 HA GLU 95 15.153 -5.882 -2.107 759 HB2 GLU 95 2HB GLU 95 14.259 -5.698 0.752 760 HB3 GLU 95 1HB GLU 95 13.155 -6.381 -0.440 761 HG2 GLU 95 2HG GLU 95 14.259 -8.327 -0.002 762 HG3 GLU 95 1HG GLU 95 15.473 -7.667 -1.097 763 H ALA 96 H ALA 96 13.999 -3.134 -0.135 764 HA ALA 96 HA ALA 96 11.601 -2.581 -1.612 765 HB1 ALA 96 3HB ALA 96 11.949 -0.289 -0.570 766 HB2 ALA 96 1HB ALA 96 13.505 -0.872 0.024 767 HB3 ALA 96 2HB ALA 96 12.010 -1.626 0.578 768 H ASN 97 H ASN 97 14.998 -1.633 -2.066 769 HA ASN 97 HA ASN 97 14.580 0.300 -4.145 770 HB2 ASN 97 2HB ASN 97 16.687 -0.610 -2.681 771 HB3 ASN 97 1HB ASN 97 16.986 -1.460 -4.199 772 HD21 ASN 97 1HD2 ASN 97 15.932 1.872 -3.239 773 HD22 ASN 97 2HD2 ASN 97 16.963 2.660 -4.330 774 H GLN 98 H GLN 98 15.227 -3.217 -4.216 775 HA GLN 98 HA GLN 98 15.017 -3.451 -7.109 776 HB2 GLN 98 2HB GLN 98 15.393 -5.138 -4.730 777 HB3 GLN 98 1HB GLN 98 14.430 -5.929 -5.978 778 HG2 GLN 98 2HG GLN 98 16.492 -6.483 -6.806 779 HG3 GLN 98 1HG GLN 98 16.382 -4.876 -7.525 780 HE21 GLN 98 1HE2 GLN 98 17.279 -3.041 -6.017 781 HE22 GLN 98 2HE2 GLN 98 18.670 -3.418 -5.120 782 H TRP 99 H TRP 99 12.798 -3.757 -4.371 783 HA TRP 99 HA TRP 99 10.499 -4.797 -5.721 784 HD1 TRP 99 HD1 TRP 99 9.170 -6.349 -3.267 785 HE1 TRP 99 HE1 TRP 99 6.600 -6.234 -3.150 786 HE3 TRP 99 HE3 TRP 99 8.472 -1.370 -4.148 787 HZ2 TRP 99 HZ2 TRP 99 4.540 -4.280 -3.397 788 HZ3 TRP 99 HZ3 TRP 99 6.197 -0.425 -4.206 789 HH2 TRP 99 HH2 TRP 99 4.227 -1.866 -3.836 790 HB2 TRP 99 2HB TRP 99 11.041 -4.523 -3.222 791 HB3 TRP 99 1HB TRP 99 10.569 -2.838 -3.408 792 H LEU 100 H LEU 100 11.631 -1.457 -5.123 793 HA LEU 100 HA LEU 100 9.351 -0.191 -6.411 794 HG LEU 100 HG LEU 100 10.069 0.221 -3.940 795 HB2 LEU 100 2HB LEU 100 12.101 0.677 -5.494 796 HB3 LEU 100 1HB LEU 100 11.025 1.791 -6.332 797 HD11 LEU 100 1HD1 LEU 100 10.571 2.731 -2.962 798 HD12 LEU 100 2HD1 LEU 100 11.953 2.493 -4.030 799 HD13 LEU 100 3HD1 LEU 100 11.635 1.344 -2.730 800 HD21 LEU 100 3HD2 LEU 100 8.948 2.795 -4.072 801 HD22 LEU 100 1HD2 LEU 100 8.166 1.283 -4.533 802 HD23 LEU 100 2HD2 LEU 100 9.014 2.242 -5.745 803 H SER 101 H SER 101 12.553 -1.287 -7.466 804 HA SER 101 HA SER 101 12.643 0.029 -10.007 805 HG SER 101 HG SER 101 14.752 -1.155 -7.841 806 HB2 SER 101 2HB SER 101 13.773 -2.616 -9.032 807 HB3 SER 101 1HB SER 101 14.275 -1.806 -10.512 808 H SER 102 HN SER 102 11.478 -3.236 -9.092 809 HA SER 102 HA SER 102 9.402 -3.189 -11.143 810 HG SER 102 HG SER 102 9.649 -5.566 -12.649 811 HB2 SER 102 2HB SER 102 11.749 -3.737 -12.196 812 HB3 SER 102 1HB SER 102 11.510 -5.319 -11.459
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