NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
572112 | 2mj7 | 19709 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H1 MET 1 28.254 -5.455 -45.790 2 H2 MET 1 H2 MET 1 28.762 -6.654 -46.870 3 H3 MET 1 H3 MET 1 29.527 -6.474 -45.373 4 HA MET 1 HA MET 1 26.706 -7.260 -45.751 5 HB2 MET 1 HB2 MET 1 29.155 -8.925 -45.012 6 HB3 MET 1 HB3 MET 1 27.500 -9.511 -44.871 7 HG2 MET 1 HG2 MET 1 27.201 -9.246 -47.293 8 HG3 MET 1 HG3 MET 1 28.854 -8.657 -47.436 9 HE1 MET 1 HE1 MET 1 29.267 -10.522 -49.362 10 HE2 MET 1 HE2 MET 1 27.612 -11.107 -49.159 11 HE3 MET 1 HE3 MET 1 28.965 -12.238 -49.103 12 H GLY 2 H GLY 2 25.985 -8.408 -43.596 13 HA2 GLY 2 HA2 GLY 2 25.827 -8.436 -41.257 14 HA3 GLY 2 HA3 GLY 2 27.041 -7.171 -41.149 15 H HIS 3 H HIS 3 23.640 -7.879 -41.740 16 HA HIS 3 HA HIS 3 22.775 -5.202 -42.285 17 HB2 HIS 3 HB2 HIS 3 21.203 -7.688 -41.470 18 HB3 HIS 3 HB3 HIS 3 20.446 -6.166 -41.918 19 HD1 HIS 3 HD1 HIS 3 20.176 -5.667 -44.366 20 HD2 HIS 3 HD2 HIS 3 22.514 -9.019 -43.646 21 HE1 HIS 3 HE1 HIS 3 20.518 -6.746 -46.601 22 HE2 HIS 3 HE2 HIS 3 22.086 -8.662 -46.162 23 H HIS 4 H HIS 4 23.297 -3.754 -40.725 24 HA HIS 4 HA HIS 4 22.839 -4.203 -37.883 25 HB2 HIS 4 HB2 HIS 4 23.772 -1.683 -39.337 26 HB3 HIS 4 HB3 HIS 4 23.836 -1.960 -37.596 27 HD1 HIS 4 HD1 HIS 4 25.267 -4.379 -37.077 28 HD2 HIS 4 HD2 HIS 4 26.226 -2.122 -40.439 29 HE1 HIS 4 HE1 HIS 4 27.575 -5.091 -37.742 30 HE2 HIS 4 HE2 HIS 4 28.194 -3.579 -39.648 31 H HIS 5 H HIS 5 21.096 -3.485 -36.745 32 HA HIS 5 HA HIS 5 19.177 -1.592 -38.000 33 HB2 HIS 5 HB2 HIS 5 18.458 -4.165 -36.504 34 HB3 HIS 5 HB3 HIS 5 17.301 -2.935 -37.011 35 HD1 HIS 5 HD1 HIS 5 19.344 -5.776 -38.298 36 HD2 HIS 5 HD2 HIS 5 16.756 -2.890 -39.806 37 HE1 HIS 5 HE1 HIS 5 18.783 -6.522 -40.626 38 HE2 HIS 5 HE2 HIS 5 17.123 -4.832 -41.463 39 H HIS 6 H HIS 6 19.519 0.169 -36.754 40 HA HIS 6 HA HIS 6 19.504 -0.061 -33.801 41 HB2 HIS 6 HB2 HIS 6 20.301 2.300 -35.580 42 HB3 HIS 6 HB3 HIS 6 20.337 2.294 -33.817 43 HD1 HIS 6 HD1 HIS 6 22.258 1.280 -36.795 44 HD2 HIS 6 HD2 HIS 6 22.394 0.629 -32.694 45 HE1 HIS 6 HE1 HIS 6 24.498 0.249 -36.351 46 HE2 HIS 6 HE2 HIS 6 24.529 -0.208 -33.878 47 H HIS 7 H HIS 7 17.345 -0.345 -33.430 48 HA HIS 7 HA HIS 7 15.234 1.153 -34.667 49 HB2 HIS 7 HB2 HIS 7 14.738 -1.077 -33.821 50 HB3 HIS 7 HB3 HIS 7 15.310 -0.652 -32.207 51 HD1 HIS 7 HD1 HIS 7 12.509 0.363 -34.603 52 HD2 HIS 7 HD2 HIS 7 13.290 0.123 -30.529 53 HE1 HIS 7 HE1 HIS 7 10.355 0.938 -33.459 54 HE2 HIS 7 HE2 HIS 7 10.857 0.817 -31.004 55 H HIS 8 H HIS 8 15.198 3.264 -34.359 56 HA HIS 8 HA HIS 8 15.729 4.565 -31.794 57 HB2 HIS 8 HB2 HIS 8 14.811 5.845 -34.416 58 HB3 HIS 8 HB3 HIS 8 15.514 6.663 -33.027 59 HD1 HIS 8 HD1 HIS 8 18.110 5.903 -32.510 60 HD2 HIS 8 HD2 HIS 8 16.638 5.192 -36.330 61 HE1 HIS 8 HE1 HIS 8 20.123 5.594 -33.977 62 HE2 HIS 8 HE2 HIS 8 19.194 4.985 -36.228 63 H SER 9 H SER 9 14.160 4.780 -30.364 64 HA SER 9 HA SER 9 11.435 5.485 -31.166 65 HB2 SER 9 HB2 SER 9 10.513 3.801 -29.496 66 HB3 SER 9 HB3 SER 9 11.213 3.083 -30.945 67 HG SER 9 HG SER 9 12.320 3.229 -28.333 68 H HIS 10 H HIS 10 12.087 7.526 -30.440 69 HA HIS 10 HA HIS 10 12.828 7.904 -27.640 70 HB2 HIS 10 HB2 HIS 10 14.066 9.150 -29.401 71 HB3 HIS 10 HB3 HIS 10 12.575 9.943 -29.893 72 HD1 HIS 10 HD1 HIS 10 15.259 10.028 -27.304 73 HD2 HIS 10 HD2 HIS 10 11.682 11.987 -28.110 74 HE1 HIS 10 HE1 HIS 10 15.244 12.055 -25.826 75 HE2 HIS 10 HE2 HIS 10 13.126 13.270 -26.407 76 H MET 11 H MET 11 10.980 7.421 -26.524 77 HA MET 11 HA MET 11 8.483 8.868 -27.040 78 HB2 MET 11 HB2 MET 11 7.523 7.530 -25.243 79 HB3 MET 11 HB3 MET 11 8.417 6.471 -26.324 80 HG2 MET 11 HG2 MET 11 9.436 7.472 -23.658 81 HG3 MET 11 HG3 MET 11 8.693 5.899 -23.931 82 HE1 MET 11 HE1 MET 11 11.569 6.321 -22.555 83 HE2 MET 11 HE2 MET 11 12.501 5.045 -23.339 84 HE3 MET 11 HE3 MET 11 10.849 4.726 -22.811 85 H GLN 12 H GLN 12 7.423 9.911 -25.073 86 HA GLN 12 HA GLN 12 9.089 10.961 -22.978 87 HB2 GLN 12 HB2 GLN 12 9.643 12.529 -24.858 88 HB3 GLN 12 HB3 GLN 12 7.932 12.924 -25.021 89 HG2 GLN 12 HG2 GLN 12 7.942 13.839 -22.716 90 HG3 GLN 12 HG3 GLN 12 9.661 13.474 -22.582 91 HE21 GLN 12 HE21 GLN 12 7.280 15.577 -24.013 92 HE22 GLN 12 HE22 GLN 12 8.388 16.765 -24.600 93 H GLU 13 H GLU 13 7.696 10.397 -21.397 94 HA GLU 13 HA GLU 13 4.820 10.914 -21.608 95 HB2 GLU 13 HB2 GLU 13 6.515 9.606 -19.437 96 HB3 GLU 13 HB3 GLU 13 4.794 9.926 -19.240 97 HG2 GLU 13 HG2 GLU 13 5.137 7.606 -19.843 98 HG3 GLU 13 HG3 GLU 13 4.306 8.441 -21.153 99 H LEU 14 H LEU 14 4.090 12.861 -21.176 100 HA LEU 14 HA LEU 14 5.541 14.808 -19.585 101 HB2 LEU 14 HB2 LEU 14 2.887 15.000 -21.082 102 HB3 LEU 14 HB3 LEU 14 3.607 16.320 -20.180 103 HG LEU 14 HG LEU 14 5.607 16.209 -21.761 104 HD11 LEU 14 HD11 LEU 14 3.807 14.433 -23.413 105 HD12 LEU 14 HD12 LEU 14 5.318 13.957 -22.635 106 HD13 LEU 14 HD13 LEU 14 5.337 15.144 -23.939 107 HD21 LEU 14 HD21 LEU 14 2.921 16.888 -22.981 108 HD22 LEU 14 HD22 LEU 14 4.494 17.465 -23.546 109 HD23 LEU 14 HD23 LEU 14 3.900 17.938 -21.954 110 HA PRO 15 HA PRO 15 3.476 13.862 -15.647 111 HB2 PRO 15 HB2 PRO 15 3.597 16.862 -15.258 112 HB3 PRO 15 HB3 PRO 15 4.143 15.564 -14.174 113 HG2 PRO 15 HG2 PRO 15 5.937 16.949 -15.544 114 HG3 PRO 15 HG3 PRO 15 6.119 15.183 -15.396 115 HD2 PRO 15 HD2 PRO 15 5.094 16.787 -17.735 116 HD3 PRO 15 HD3 PRO 15 6.179 15.376 -17.727 117 H ASP 16 H ASP 16 1.385 13.781 -14.916 118 HA ASP 16 HA ASP 16 -0.700 14.463 -16.727 119 HB2 ASP 16 HB2 ASP 16 -0.717 13.347 -13.900 120 HB3 ASP 16 HB3 ASP 16 -2.211 13.656 -14.782 121 H SER 17 H SER 17 -2.552 15.762 -16.380 122 HA SER 17 HA SER 17 -2.059 18.401 -15.559 123 HB2 SER 17 HB2 SER 17 -4.721 17.011 -16.093 124 HB3 SER 17 HB3 SER 17 -4.490 18.759 -15.984 125 HG SER 17 HG SER 17 -2.807 17.444 -17.748 126 H GLY 18 H GLY 18 -4.224 15.992 -14.067 127 HA2 GLY 18 HA2 GLY 18 -4.373 17.320 -11.504 128 HA3 GLY 18 HA3 GLY 18 -4.954 15.706 -11.914 129 H ALA 19 H ALA 19 -2.006 17.553 -11.235 130 HA ALA 19 HA ALA 19 -0.236 15.304 -11.337 131 HB1 ALA 19 HB1 ALA 19 0.259 18.127 -10.341 132 HB2 ALA 19 HB2 ALA 19 0.448 17.582 -12.009 133 HB3 ALA 19 HB3 ALA 19 1.501 16.939 -10.745 134 H LEU 20 H LEU 20 -1.065 13.840 -9.739 135 HA LEU 20 HA LEU 20 -0.688 14.539 -6.906 136 HB2 LEU 20 HB2 LEU 20 -2.601 13.042 -7.643 137 HB3 LEU 20 HB3 LEU 20 -1.419 11.857 -8.170 138 HG LEU 20 HG LEU 20 -0.567 11.791 -5.749 139 HD11 LEU 20 HD11 LEU 20 -3.118 13.308 -5.213 140 HD12 LEU 20 HD12 LEU 20 -1.464 13.869 -4.954 141 HD13 LEU 20 HD13 LEU 20 -2.099 12.539 -3.994 142 HD21 LEU 20 HD21 LEU 20 -2.280 10.264 -4.954 143 HD22 LEU 20 HD22 LEU 20 -1.944 9.989 -6.662 144 HD23 LEU 20 HD23 LEU 20 -3.408 10.850 -6.180 145 H MET 21 H MET 21 1.518 14.792 -6.595 146 HA MET 21 HA MET 21 3.363 12.726 -7.622 147 HB2 MET 21 HB2 MET 21 3.813 15.256 -7.974 148 HB3 MET 21 HB3 MET 21 4.168 15.332 -6.256 149 HG2 MET 21 HG2 MET 21 5.642 13.633 -8.291 150 HG3 MET 21 HG3 MET 21 6.217 15.150 -7.604 151 HE1 MET 21 HE1 MET 21 7.925 12.444 -7.653 152 HE2 MET 21 HE2 MET 21 8.586 12.405 -6.019 153 HE3 MET 21 HE3 MET 21 8.547 13.924 -6.912 154 H LEU 22 H LEU 22 3.208 11.052 -6.245 155 HA LEU 22 HA LEU 22 3.010 11.281 -3.383 156 HB2 LEU 22 HB2 LEU 22 3.560 8.868 -5.166 157 HB3 LEU 22 HB3 LEU 22 3.148 8.788 -3.460 158 HG LEU 22 HG LEU 22 1.287 9.923 -5.586 159 HD11 LEU 22 HD11 LEU 22 1.694 7.562 -6.055 160 HD12 LEU 22 HD12 LEU 22 0.052 7.810 -5.471 161 HD13 LEU 22 HD13 LEU 22 1.277 7.133 -4.392 162 HD21 LEU 22 HD21 LEU 22 -0.444 9.699 -3.861 163 HD22 LEU 22 HD22 LEU 22 0.848 10.772 -3.331 164 HD23 LEU 22 HD23 LEU 22 0.759 9.123 -2.704 165 H VAL 23 H VAL 23 4.783 12.019 -2.334 166 HA VAL 23 HA VAL 23 7.456 10.887 -2.905 167 HB VAL 23 HB VAL 23 8.286 12.574 -1.236 168 HG11 VAL 23 HG11 VAL 23 7.981 14.570 -2.646 169 HG12 VAL 23 HG12 VAL 23 6.668 13.766 -3.511 170 HG13 VAL 23 HG13 VAL 23 8.312 13.131 -3.614 171 HG21 VAL 23 HG21 VAL 23 5.426 13.623 -1.208 172 HG22 VAL 23 HG22 VAL 23 6.821 14.387 -0.435 173 HG23 VAL 23 HG23 VAL 23 6.242 12.820 0.133 174 HA PRO 24 HA PRO 24 7.142 8.104 0.695 175 HB2 PRO 24 HB2 PRO 24 10.073 8.607 1.096 176 HB3 PRO 24 HB3 PRO 24 9.225 7.074 0.808 177 HG2 PRO 24 HG2 PRO 24 10.733 8.159 -1.109 178 HG3 PRO 24 HG3 PRO 24 9.197 7.351 -1.510 179 HD2 PRO 24 HD2 PRO 24 9.763 10.305 -1.261 180 HD3 PRO 24 HD3 PRO 24 8.835 9.439 -2.509 181 H ASN 25 H ASN 25 9.110 11.034 0.938 182 HA ASN 25 HA ASN 25 9.235 12.770 2.327 183 HB2 ASN 25 HB2 ASN 25 6.783 12.877 1.796 184 HB3 ASN 25 HB3 ASN 25 6.455 11.985 3.272 185 HD21 ASN 25 HD21 ASN 25 7.417 15.060 1.930 186 HD22 ASN 25 HD22 ASN 25 7.273 15.959 3.398 187 H ARG 26 H ARG 26 7.232 11.128 4.740 188 HA ARG 26 HA ARG 26 9.576 10.939 6.538 189 HB2 ARG 26 HB2 ARG 26 6.599 11.060 7.186 190 HB3 ARG 26 HB3 ARG 26 7.857 10.792 8.388 191 HG2 ARG 26 HG2 ARG 26 7.487 13.288 6.706 192 HG3 ARG 26 HG3 ARG 26 7.163 13.124 8.431 193 HD2 ARG 26 HD2 ARG 26 9.528 12.790 8.894 194 HD3 ARG 26 HD3 ARG 26 9.894 12.752 7.166 195 HE ARG 26 HE ARG 26 8.673 15.202 8.121 196 HH11 ARG 26 HH11 ARG 26 11.714 13.528 7.453 197 HH12 ARG 26 HH12 ARG 26 12.626 15.005 7.348 198 HH21 ARG 26 HH21 ARG 26 9.897 17.113 8.000 199 HH22 ARG 26 HH22 ARG 26 11.600 17.030 7.657 200 H GLN 27 H GLN 27 10.443 8.954 6.491 201 HA GLN 27 HA GLN 27 9.029 6.547 5.993 202 HB2 GLN 27 HB2 GLN 27 11.112 5.413 6.896 203 HB3 GLN 27 HB3 GLN 27 11.408 6.554 5.595 204 HG2 GLN 27 HG2 GLN 27 12.272 8.199 7.157 205 HG3 GLN 27 HG3 GLN 27 11.827 7.181 8.525 206 HE21 GLN 27 HE21 GLN 27 14.059 7.580 5.855 207 HE22 GLN 27 HE22 GLN 27 15.241 6.462 6.433 208 H LEU 28 H LEU 28 7.379 5.952 7.281 209 HA LEU 28 HA LEU 28 7.147 6.849 10.018 210 HB2 LEU 28 HB2 LEU 28 5.369 4.848 8.585 211 HB3 LEU 28 HB3 LEU 28 4.965 5.810 9.998 212 HG LEU 28 HG LEU 28 5.270 6.772 7.130 213 HD11 LEU 28 HD11 LEU 28 2.919 7.399 7.367 214 HD12 LEU 28 HD12 LEU 28 2.899 6.763 9.015 215 HD13 LEU 28 HD13 LEU 28 3.162 5.675 7.648 216 HD21 LEU 28 HD21 LEU 28 4.713 9.036 7.927 217 HD22 LEU 28 HD22 LEU 28 6.269 8.479 8.532 218 HD23 LEU 28 HD23 LEU 28 4.865 8.486 9.600 219 H THR 29 H THR 29 7.767 5.768 11.796 220 HA THR 29 HA THR 29 9.132 3.272 11.755 221 HB THR 29 HB THR 29 8.969 3.415 14.279 222 HG1 THR 29 HG1 THR 29 7.794 5.965 14.041 223 HG21 THR 29 HG21 THR 29 10.824 4.564 13.107 224 HG22 THR 29 HG22 THR 29 10.327 5.448 14.552 225 HG23 THR 29 HG23 THR 29 9.828 6.012 12.954 226 H ALA 30 H ALA 30 8.417 1.279 12.888 227 HA ALA 30 HA ALA 30 5.938 0.258 12.177 228 HB1 ALA 30 HB1 ALA 30 7.865 -1.139 12.795 229 HB2 ALA 30 HB2 ALA 30 6.435 -1.596 13.721 230 HB3 ALA 30 HB3 ALA 30 7.712 -0.636 14.479 231 H ASP 31 H ASP 31 6.953 1.793 15.207 232 HA ASP 31 HA ASP 31 4.588 1.505 16.694 233 HB2 ASP 31 HB2 ASP 31 6.662 3.742 16.857 234 HB3 ASP 31 HB3 ASP 31 5.474 3.357 18.099 235 H TYR 32 H TYR 32 5.699 4.205 14.592 236 HA TYR 32 HA TYR 32 3.513 5.928 15.171 237 HB2 TYR 32 HB2 TYR 32 5.680 6.798 14.281 238 HB3 TYR 32 HB3 TYR 32 5.363 6.012 12.742 239 HD1 TYR 32 HD2 TYR 32 4.385 8.789 14.970 240 HD2 TYR 32 HD1 TYR 32 3.753 6.993 11.144 241 HE1 TYR 32 HE2 TYR 32 3.167 10.788 14.229 242 HE2 TYR 32 HE1 TYR 32 2.538 8.998 10.403 243 HH TYR 32 HH TYR 32 2.525 11.916 12.148 244 H PHE 33 H PHE 33 4.257 3.819 12.421 245 HA PHE 33 HA PHE 33 2.039 4.274 10.827 246 HB2 PHE 33 HB2 PHE 33 4.026 3.028 10.037 247 HB3 PHE 33 HB3 PHE 33 3.639 1.693 11.114 248 HD1 PHE 33 HD1 PHE 33 1.673 0.210 10.610 249 HD2 PHE 33 HD2 PHE 33 2.843 3.331 7.931 250 HE1 PHE 33 HE1 PHE 33 0.267 -0.760 8.855 251 HE2 PHE 33 HE2 PHE 33 1.428 2.339 6.172 252 HZ PHE 33 HZ PHE 33 0.131 0.308 6.641 253 H GLU 34 H GLU 34 2.554 1.856 13.406 254 HA GLU 34 HA GLU 34 0.161 0.436 13.240 255 HB2 GLU 34 HB2 GLU 34 2.125 -0.209 14.672 256 HB3 GLU 34 HB3 GLU 34 1.723 1.104 15.772 257 HG2 GLU 34 HG2 GLU 34 0.927 -0.970 16.721 258 HG3 GLU 34 HG3 GLU 34 -0.463 0.001 16.244 259 H LYS 35 H LYS 35 0.952 3.235 15.341 260 HA LYS 35 HA LYS 35 -1.538 3.597 16.561 261 HB2 LYS 35 HB2 LYS 35 0.682 5.582 15.958 262 HB3 LYS 35 HB3 LYS 35 -0.729 5.997 16.933 263 HG2 LYS 35 HG2 LYS 35 -0.130 4.269 18.570 264 HG3 LYS 35 HG3 LYS 35 1.264 3.803 17.592 265 HD2 LYS 35 HD2 LYS 35 0.853 6.544 18.858 266 HD3 LYS 35 HD3 LYS 35 1.887 5.274 19.512 267 HE2 LYS 35 HE2 LYS 35 3.277 5.370 17.451 268 HE3 LYS 35 HE3 LYS 35 2.258 6.677 16.841 269 HZ1 LYS 35 HZ1 LYS 35 2.951 8.047 18.694 270 HZ2 LYS 35 HZ2 LYS 35 4.308 7.488 17.860 271 HZ3 LYS 35 HZ3 LYS 35 3.871 6.790 19.335 272 H THR 36 H THR 36 -0.226 5.162 13.622 273 HA THR 36 HA THR 36 -2.426 6.883 13.153 274 HB THR 36 HB THR 36 -0.395 5.934 11.077 275 HG1 THR 36 HG1 THR 36 0.996 6.913 12.349 276 HG21 THR 36 HG21 THR 36 -2.268 7.240 10.117 277 HG22 THR 36 HG22 THR 36 -0.764 8.165 10.067 278 HG23 THR 36 HG23 THR 36 -1.975 8.520 11.299 279 H TRP 37 H TRP 37 -1.633 3.626 12.026 280 HA TRP 37 HA TRP 37 -3.606 3.230 10.072 281 HB2 TRP 37 HB2 TRP 37 -1.613 1.754 10.404 282 HB3 TRP 37 HB3 TRP 37 -2.289 1.185 11.926 283 HD1 TRP 37 HD1 TRP 37 -4.193 -0.693 11.786 284 HE1 TRP 37 HE1 TRP 37 -5.091 -2.129 9.857 285 HE3 TRP 37 HE3 TRP 37 -2.113 1.814 7.850 286 HZ2 TRP 37 HZ2 TRP 37 -4.938 -2.201 7.046 287 HZ3 TRP 37 HZ3 TRP 37 -2.550 1.009 5.567 288 HH2 TRP 37 HH2 TRP 37 -3.935 -0.959 5.172 289 H LEU 38 H LEU 38 -3.542 2.467 13.551 290 HA LEU 38 HA LEU 38 -6.246 1.549 13.719 291 HB2 LEU 38 HB2 LEU 38 -4.425 2.527 15.954 292 HB3 LEU 38 HB3 LEU 38 -5.885 1.570 16.156 293 HG LEU 38 HG LEU 38 -3.325 0.630 14.812 294 HD11 LEU 38 HD11 LEU 38 -3.045 -0.837 16.749 295 HD12 LEU 38 HD12 LEU 38 -4.480 -0.137 17.503 296 HD13 LEU 38 HD13 LEU 38 -3.055 0.863 17.220 297 HD21 LEU 38 HD21 LEU 38 -5.243 -0.442 13.769 298 HD22 LEU 38 HD22 LEU 38 -5.874 -0.923 15.345 299 HD23 LEU 38 HD23 LEU 38 -4.354 -1.602 14.756 300 H SER 39 H SER 39 -4.713 4.663 13.829 301 HA SER 39 HA SER 39 -6.854 6.134 15.053 302 HB2 SER 39 HB2 SER 39 -4.468 6.898 15.088 303 HB3 SER 39 HB3 SER 39 -4.529 7.157 13.346 304 HG SER 39 HG SER 39 -4.906 9.084 14.433 305 H LEU 40 H LEU 40 -6.244 4.964 11.797 306 HA LEU 40 HA LEU 40 -8.348 6.714 10.687 307 HB2 LEU 40 HB2 LEU 40 -6.087 5.221 9.282 308 HB3 LEU 40 HB3 LEU 40 -7.335 6.144 8.461 309 HG LEU 40 HG LEU 40 -5.203 7.288 10.311 310 HD11 LEU 40 HD11 LEU 40 -5.515 7.539 7.305 311 HD12 LEU 40 HD12 LEU 40 -4.316 6.553 8.144 312 HD13 LEU 40 HD13 LEU 40 -4.273 8.307 8.297 313 HD21 LEU 40 HD21 LEU 40 -7.360 8.719 8.735 314 HD22 LEU 40 HD22 LEU 40 -6.047 9.492 9.628 315 HD23 LEU 40 HD23 LEU 40 -7.271 8.566 10.492 316 H LYS 41 H LYS 41 -9.648 5.643 9.017 317 HA LYS 41 HA LYS 41 -10.204 2.788 9.565 318 HB2 LYS 41 HB2 LYS 41 -12.135 5.039 8.834 319 HB3 LYS 41 HB3 LYS 41 -12.586 3.339 8.906 320 HG2 LYS 41 HG2 LYS 41 -11.516 4.930 11.257 321 HG3 LYS 41 HG3 LYS 41 -13.227 4.657 10.939 322 HD2 LYS 41 HD2 LYS 41 -11.183 2.455 11.434 323 HD3 LYS 41 HD3 LYS 41 -12.285 3.105 12.650 324 HE2 LYS 41 HE2 LYS 41 -14.218 2.326 11.378 325 HE3 LYS 41 HE3 LYS 41 -13.171 1.766 10.074 326 HZ1 LYS 41 HZ1 LYS 41 -12.216 0.144 11.550 327 HZ2 LYS 41 HZ2 LYS 41 -13.898 -0.032 11.551 328 HZ3 LYS 41 HZ3 LYS 41 -13.122 0.715 12.853 329 H VAL 42 H VAL 42 -10.721 1.516 7.758 330 HA VAL 42 HA VAL 42 -9.114 1.979 5.493 331 HB VAL 42 HB VAL 42 -11.400 -0.043 5.757 332 HG11 VAL 42 HG11 VAL 42 -10.200 -1.344 4.025 333 HG12 VAL 42 HG12 VAL 42 -9.014 -0.046 3.869 334 HG13 VAL 42 HG13 VAL 42 -10.695 0.240 3.419 335 HG21 VAL 42 HG21 VAL 42 -9.757 -0.295 7.589 336 HG22 VAL 42 HG22 VAL 42 -8.451 -0.419 6.407 337 HG23 VAL 42 HG23 VAL 42 -9.695 -1.670 6.480 338 H ALA 43 H ALA 43 -9.488 3.319 3.887 339 HA ALA 43 HA ALA 43 -12.075 4.632 3.518 340 HB1 ALA 43 HB1 ALA 43 -9.394 5.141 2.166 341 HB2 ALA 43 HB2 ALA 43 -10.009 5.975 3.595 342 HB3 ALA 43 HB3 ALA 43 -10.826 6.171 2.044 343 H HIS 44 H HIS 44 -9.940 2.452 1.790 344 HA HIS 44 HA HIS 44 -12.137 1.556 0.059 345 HB2 HIS 44 HB2 HIS 44 -10.940 3.188 -1.328 346 HB3 HIS 44 HB3 HIS 44 -9.384 2.482 -0.910 347 HD2 HIS 44 HD2 HIS 44 -8.684 0.172 -2.353 348 HE1 HIS 44 HE1 HIS 44 -11.972 0.413 -4.994 349 HE2 HIS 44 HE2 HIS 44 -9.625 -0.472 -4.672 350 H GLN 45 H GLN 45 -11.991 -0.644 -0.398 351 HA GLN 45 HA GLN 45 -9.487 -2.075 0.094 352 HB2 GLN 45 HB2 GLN 45 -10.828 -2.342 2.194 353 HB3 GLN 45 HB3 GLN 45 -12.123 -3.081 1.257 354 HG2 GLN 45 HG2 GLN 45 -10.600 -4.920 0.600 355 HG3 GLN 45 HG3 GLN 45 -9.295 -4.162 1.514 356 HE21 GLN 45 HE21 GLN 45 -9.357 -4.218 3.787 357 HE22 GLN 45 HE22 GLN 45 -10.385 -5.317 4.640 358 H GLN 46 H GLN 46 -9.069 -3.344 -1.579 359 HA GLN 46 HA GLN 46 -11.179 -3.949 -3.574 360 HB2 GLN 46 HB2 GLN 46 -9.587 -2.082 -4.162 361 HB3 GLN 46 HB3 GLN 46 -8.254 -3.225 -4.063 362 HG2 GLN 46 HG2 GLN 46 -9.098 -4.469 -5.946 363 HG3 GLN 46 HG3 GLN 46 -10.582 -3.513 -5.974 364 HE21 GLN 46 HE21 GLN 46 -8.593 -3.888 -8.075 365 HE22 GLN 46 HE22 GLN 46 -8.023 -2.317 -8.477 366 H VAL 47 H VAL 47 -11.340 -6.051 -4.111 367 HA VAL 47 HA VAL 47 -9.297 -7.977 -3.165 368 HB VAL 47 HB VAL 47 -12.238 -8.398 -3.865 369 HG11 VAL 47 HG11 VAL 47 -10.954 -10.401 -4.381 370 HG12 VAL 47 HG12 VAL 47 -11.943 -10.677 -2.947 371 HG13 VAL 47 HG13 VAL 47 -10.214 -10.372 -2.779 372 HG21 VAL 47 HG21 VAL 47 -10.869 -8.368 -1.148 373 HG22 VAL 47 HG22 VAL 47 -12.564 -8.768 -1.435 374 HG23 VAL 47 HG23 VAL 47 -11.974 -7.139 -1.773 375 H LEU 48 H LEU 48 -8.038 -8.894 -4.687 376 HA LEU 48 HA LEU 48 -8.892 -8.949 -7.513 377 HB2 LEU 48 HB2 LEU 48 -6.211 -8.010 -6.412 378 HB3 LEU 48 HB3 LEU 48 -6.526 -8.310 -8.116 379 HG LEU 48 HG LEU 48 -7.855 -6.175 -6.407 380 HD11 LEU 48 HD11 LEU 48 -5.861 -5.927 -8.669 381 HD12 LEU 48 HD12 LEU 48 -5.545 -5.638 -6.954 382 HD13 LEU 48 HD13 LEU 48 -6.652 -4.585 -7.833 383 HD21 LEU 48 HD21 LEU 48 -8.923 -5.420 -8.493 384 HD22 LEU 48 HD22 LEU 48 -9.441 -7.042 -8.042 385 HD23 LEU 48 HD23 LEU 48 -8.265 -6.820 -9.344 386 HA PRO 49 HA PRO 49 -7.321 -13.197 -6.973 387 HB2 PRO 49 HB2 PRO 49 -7.962 -14.120 -9.475 388 HB3 PRO 49 HB3 PRO 49 -9.202 -13.857 -8.233 389 HG2 PRO 49 HG2 PRO 49 -8.444 -12.088 -10.536 390 HG3 PRO 49 HG3 PRO 49 -10.065 -12.516 -9.945 391 HD2 PRO 49 HD2 PRO 49 -8.828 -10.137 -9.321 392 HD3 PRO 49 HD3 PRO 49 -10.004 -10.936 -8.244 393 H TRP 50 H TRP 50 -5.081 -12.990 -6.833 394 HA TRP 50 HA TRP 50 -3.409 -11.618 -8.609 395 HB2 TRP 50 HB2 TRP 50 -2.673 -12.106 -6.301 396 HB3 TRP 50 HB3 TRP 50 -2.606 -13.834 -6.649 397 HD1 TRP 50 HD1 TRP 50 -0.523 -14.700 -8.168 398 HE1 TRP 50 HE1 TRP 50 1.727 -13.651 -8.824 399 HE3 TRP 50 HE3 TRP 50 -1.395 -9.861 -6.740 400 HZ2 TRP 50 HZ2 TRP 50 2.993 -11.162 -8.706 401 HZ3 TRP 50 HZ3 TRP 50 0.412 -8.213 -7.033 402 HH2 TRP 50 HH2 TRP 50 2.567 -8.847 -8.000 403 H ARG 51 H ARG 51 -2.402 -12.120 -10.426 404 HA ARG 51 HA ARG 51 -3.146 -14.519 -11.887 405 HB2 ARG 51 HB2 ARG 51 -3.338 -12.346 -12.991 406 HB3 ARG 51 HB3 ARG 51 -1.659 -11.971 -12.633 407 HG2 ARG 51 HG2 ARG 51 -0.933 -13.785 -14.147 408 HG3 ARG 51 HG3 ARG 51 -2.622 -14.125 -14.534 409 HD2 ARG 51 HD2 ARG 51 -2.838 -11.788 -15.410 410 HD3 ARG 51 HD3 ARG 51 -1.117 -11.550 -15.097 411 HE ARG 51 HE ARG 51 -0.643 -13.256 -16.751 412 HH11 ARG 51 HH11 ARG 51 -3.893 -11.922 -16.826 413 HH12 ARG 51 HH12 ARG 51 -4.153 -12.348 -18.492 414 HH21 ARG 51 HH21 ARG 51 -0.994 -13.788 -18.940 415 HH22 ARG 51 HH22 ARG 51 -2.519 -13.395 -19.675 416 H GLY 52 H GLY 52 -1.930 -16.272 -11.421 417 HA2 GLY 52 HA2 GLY 52 -0.217 -17.729 -11.816 418 HA3 GLY 52 HA3 GLY 52 0.707 -16.413 -12.530 419 H GLU 53 H GLU 53 2.629 -16.890 -11.557 420 HA GLU 53 HA GLU 53 2.975 -17.543 -8.787 421 HB2 GLU 53 HB2 GLU 53 5.428 -17.408 -9.345 422 HB3 GLU 53 HB3 GLU 53 4.510 -18.480 -10.393 423 HG2 GLU 53 HG2 GLU 53 4.421 -16.601 -12.084 424 HG3 GLU 53 HG3 GLU 53 5.555 -15.718 -11.065 425 H PHE 54 H PHE 54 3.689 -16.305 -7.124 426 HA PHE 54 HA PHE 54 3.463 -13.392 -7.408 427 HB2 PHE 54 HB2 PHE 54 2.037 -14.435 -5.691 428 HB3 PHE 54 HB3 PHE 54 3.438 -15.187 -4.935 429 HD1 PHE 54 HD1 PHE 54 2.263 -11.788 -5.964 430 HD2 PHE 54 HD2 PHE 54 4.297 -14.118 -3.027 431 HE1 PHE 54 HE1 PHE 54 2.580 -9.778 -4.609 432 HE2 PHE 54 HE2 PHE 54 4.611 -12.096 -1.671 433 HZ PHE 54 HZ PHE 54 3.765 -9.931 -2.473 434 H HIS 55 H HIS 55 5.113 -12.004 -6.966 435 HA HIS 55 HA HIS 55 7.668 -13.013 -5.854 436 HB2 HIS 55 HB2 HIS 55 7.447 -11.134 -8.246 437 HB3 HIS 55 HB3 HIS 55 8.943 -11.687 -7.501 438 HD1 HIS 55 HD1 HIS 55 7.196 -12.218 -10.403 439 HD2 HIS 55 HD2 HIS 55 8.738 -14.866 -7.603 440 HE1 HIS 55 HE1 HIS 55 7.445 -14.391 -11.604 441 HE2 HIS 55 HE2 HIS 55 8.418 -15.970 -9.922 442 HA PRO 56 HA PRO 56 6.489 -9.290 -3.370 443 HB2 PRO 56 HB2 PRO 56 7.985 -9.910 -1.145 444 HB3 PRO 56 HB3 PRO 56 6.394 -10.632 -1.476 445 HG2 PRO 56 HG2 PRO 56 9.117 -11.790 -1.974 446 HG3 PRO 56 HG3 PRO 56 7.670 -12.565 -1.289 447 HD2 PRO 56 HD2 PRO 56 8.407 -12.912 -3.890 448 HD3 PRO 56 HD3 PRO 56 6.705 -12.923 -3.372 449 H ASP 57 H ASP 57 9.749 -10.548 -3.954 450 HA ASP 57 HA ASP 57 11.247 -8.248 -3.272 451 HB2 ASP 57 HB2 ASP 57 11.904 -10.408 -5.340 452 HB3 ASP 57 HB3 ASP 57 13.054 -9.199 -4.765 453 H THR 58 H THR 58 9.873 -9.327 -6.338 454 HA THR 58 HA THR 58 10.826 -7.191 -7.963 455 HB THR 58 HB THR 58 8.444 -9.034 -8.460 456 HG1 THR 58 HG1 THR 58 11.195 -9.433 -8.547 457 HG21 THR 58 HG21 THR 58 8.476 -7.171 -10.071 458 HG22 THR 58 HG22 THR 58 8.954 -8.665 -10.871 459 HG23 THR 58 HG23 THR 58 10.188 -7.488 -10.427 460 H LEU 59 H LEU 59 7.799 -7.858 -6.244 461 HA LEU 59 HA LEU 59 6.244 -5.694 -7.095 462 HB2 LEU 59 HB2 LEU 59 5.367 -7.691 -5.899 463 HB3 LEU 59 HB3 LEU 59 6.156 -7.148 -4.431 464 HG LEU 59 HG LEU 59 4.675 -5.154 -4.355 465 HD11 LEU 59 HD11 LEU 59 2.757 -4.937 -5.852 466 HD12 LEU 59 HD12 LEU 59 3.315 -6.316 -6.803 467 HD13 LEU 59 HD13 LEU 59 4.275 -4.833 -6.744 468 HD21 LEU 59 HD21 LEU 59 4.008 -7.189 -3.161 469 HD22 LEU 59 HD22 LEU 59 3.145 -7.764 -4.591 470 HD23 LEU 59 HD23 LEU 59 2.600 -6.307 -3.756 471 H GLN 60 H GLN 60 8.319 -6.051 -4.212 472 HA GLN 60 HA GLN 60 7.834 -3.559 -3.006 473 HB2 GLN 60 HB2 GLN 60 8.848 -5.467 -1.806 474 HB3 GLN 60 HB3 GLN 60 10.290 -5.361 -2.813 475 HG2 GLN 60 HG2 GLN 60 10.796 -3.140 -1.870 476 HG3 GLN 60 HG3 GLN 60 9.339 -3.222 -0.879 477 HE21 GLN 60 HE21 GLN 60 10.602 -2.992 1.001 478 HE22 GLN 60 HE22 GLN 60 11.543 -4.294 1.633 479 H MET 61 H MET 61 10.461 -4.631 -5.186 480 HA MET 61 HA MET 61 11.959 -2.246 -5.141 481 HB2 MET 61 HB2 MET 61 11.862 -4.483 -7.201 482 HB3 MET 61 HB3 MET 61 13.027 -3.164 -7.263 483 HG2 MET 61 HG2 MET 61 14.000 -3.849 -5.159 484 HG3 MET 61 HG3 MET 61 12.750 -5.075 -4.936 485 HE1 MET 61 HE1 MET 61 15.915 -7.264 -5.623 486 HE2 MET 61 HE2 MET 61 14.545 -6.994 -4.539 487 HE3 MET 61 HE3 MET 61 15.829 -5.785 -4.684 488 H ALA 62 H ALA 62 9.263 -3.280 -7.209 489 HA ALA 62 HA ALA 62 9.430 -1.096 -9.081 490 HB1 ALA 62 HB1 ALA 62 8.315 -3.208 -9.676 491 HB2 ALA 62 HB2 ALA 62 7.206 -1.843 -9.838 492 HB3 ALA 62 HB3 ALA 62 7.086 -2.922 -8.444 493 H LEU 63 H LEU 63 7.624 -1.721 -6.089 494 HA LEU 63 HA LEU 63 6.027 0.585 -5.953 495 HB2 LEU 63 HB2 LEU 63 7.273 -1.086 -3.733 496 HB3 LEU 63 HB3 LEU 63 6.111 0.195 -3.421 497 HG LEU 63 HG LEU 63 5.472 -2.192 -5.190 498 HD11 LEU 63 HD11 LEU 63 6.032 -3.040 -2.975 499 HD12 LEU 63 HD12 LEU 63 4.311 -3.213 -3.305 500 HD13 LEU 63 HD13 LEU 63 4.880 -1.928 -2.235 501 HD21 LEU 63 HD21 LEU 63 4.032 -0.248 -5.538 502 HD22 LEU 63 HD22 LEU 63 3.655 -0.191 -3.812 503 HD23 LEU 63 HD23 LEU 63 3.140 -1.570 -4.787 504 H GLN 64 H GLN 64 9.347 0.011 -4.718 505 HA GLN 64 HA GLN 64 9.956 2.538 -3.748 506 HB2 GLN 64 HB2 GLN 64 11.797 0.524 -5.113 507 HB3 GLN 64 HB3 GLN 64 12.358 1.913 -4.194 508 HG2 GLN 64 HG2 GLN 64 10.656 -0.297 -3.007 509 HG3 GLN 64 HG3 GLN 64 12.414 -0.278 -2.960 510 HE21 GLN 64 HE21 GLN 64 9.503 1.251 -1.725 511 HE22 GLN 64 HE22 GLN 64 10.279 2.067 -0.413 512 H VAL 65 H VAL 65 10.055 1.376 -7.157 513 HA VAL 65 HA VAL 65 11.390 3.612 -8.276 514 HB VAL 65 HB VAL 65 9.441 1.674 -9.622 515 HG11 VAL 65 HG11 VAL 65 9.693 3.710 -10.987 516 HG12 VAL 65 HG12 VAL 65 10.487 2.343 -11.768 517 HG13 VAL 65 HG13 VAL 65 11.451 3.555 -10.920 518 HG21 VAL 65 HG21 VAL 65 11.465 0.486 -10.403 519 HG22 VAL 65 HG22 VAL 65 11.384 0.528 -8.642 520 HG23 VAL 65 HG23 VAL 65 12.477 1.613 -9.497 521 H VAL 66 H VAL 66 8.046 3.110 -7.360 522 HA VAL 66 HA VAL 66 7.206 5.646 -8.645 523 HB VAL 66 HB VAL 66 4.866 4.876 -8.316 524 HG11 VAL 66 HG11 VAL 66 6.595 2.859 -9.801 525 HG12 VAL 66 HG12 VAL 66 5.998 4.387 -10.454 526 HG13 VAL 66 HG13 VAL 66 4.861 3.104 -10.038 527 HG21 VAL 66 HG21 VAL 66 5.189 3.440 -6.330 528 HG22 VAL 66 HG22 VAL 66 6.092 2.281 -7.302 529 HG23 VAL 66 HG23 VAL 66 4.376 2.549 -7.618 530 H ASN 67 H ASN 67 8.719 5.068 -6.014 531 HA ASN 67 HA ASN 67 9.107 6.253 -4.122 532 HB2 ASN 67 HB2 ASN 67 6.969 8.106 -5.244 533 HB3 ASN 67 HB3 ASN 67 7.929 8.486 -3.823 534 HD21 ASN 67 HD21 ASN 67 7.715 9.857 -6.430 535 HD22 ASN 67 HD22 ASN 67 9.331 9.949 -7.037 536 H ILE 68 H ILE 68 7.071 4.120 -4.121 537 HA ILE 68 HA ILE 68 5.418 4.812 -1.794 538 HB ILE 68 HB ILE 68 5.495 2.224 -3.422 539 HG12 ILE 68 HG12 ILE 68 4.567 4.095 -4.746 540 HG13 ILE 68 HG13 ILE 68 3.310 2.925 -4.369 541 HG21 ILE 68 HG21 ILE 68 3.429 1.597 -2.189 542 HG22 ILE 68 HG22 ILE 68 3.590 3.046 -1.196 543 HG23 ILE 68 HG23 ILE 68 4.815 1.780 -1.112 544 HD11 ILE 68 HD11 ILE 68 2.476 5.171 -4.172 545 HD12 ILE 68 HD12 ILE 68 3.755 5.589 -3.036 546 HD13 ILE 68 HD13 ILE 68 2.512 4.422 -2.575 547 H GLN 69 H GLN 69 6.448 4.571 0.122 548 HA GLN 69 HA GLN 69 8.866 2.963 0.351 549 HB2 GLN 69 HB2 GLN 69 8.997 3.901 2.670 550 HB3 GLN 69 HB3 GLN 69 8.870 5.152 1.439 551 HG2 GLN 69 HG2 GLN 69 6.479 5.418 1.954 552 HG3 GLN 69 HG3 GLN 69 6.604 4.155 3.174 553 HE21 GLN 69 HE21 GLN 69 5.880 5.612 4.776 554 HE22 GLN 69 HE22 GLN 69 6.891 6.853 5.399 555 H THR 70 H THR 70 9.114 1.172 1.635 556 HA THR 70 HA THR 70 6.678 -0.365 2.241 557 HB THR 70 HB THR 70 9.569 -1.338 2.072 558 HG1 THR 70 HG1 THR 70 7.904 -0.600 0.125 559 HG21 THR 70 HG21 THR 70 8.562 -3.595 1.899 560 HG22 THR 70 HG22 THR 70 6.950 -2.908 2.096 561 HG23 THR 70 HG23 THR 70 8.108 -2.836 3.429 562 H ILE 71 H ILE 71 6.022 -0.337 4.269 563 HA ILE 71 HA ILE 71 7.684 0.429 6.528 564 HB ILE 71 HB ILE 71 4.770 -0.492 6.392 565 HG12 ILE 71 HG12 ILE 71 5.243 1.666 5.195 566 HG13 ILE 71 HG13 ILE 71 4.143 1.860 6.549 567 HG21 ILE 71 HG21 ILE 71 4.506 0.418 8.682 568 HG22 ILE 71 HG22 ILE 71 6.238 0.746 8.753 569 HG23 ILE 71 HG23 ILE 71 5.660 -0.917 8.635 570 HD11 ILE 71 HD11 ILE 71 7.067 2.573 6.513 571 HD12 ILE 71 HD12 ILE 71 5.994 2.745 7.905 572 HD13 ILE 71 HD13 ILE 71 5.704 3.687 6.441 573 H ALA 72 H ALA 72 5.676 -2.380 5.647 574 HA ALA 72 HA ALA 72 7.614 -4.254 6.837 575 HB1 ALA 72 HB1 ALA 72 5.909 -3.831 8.581 576 HB2 ALA 72 HB2 ALA 72 5.790 -5.480 7.973 577 HB3 ALA 72 HB3 ALA 72 4.622 -4.262 7.449 578 H MET 73 H MET 73 7.414 -6.399 5.951 579 HA MET 73 HA MET 73 5.463 -7.022 3.937 580 HB2 MET 73 HB2 MET 73 7.044 -5.660 2.593 581 HB3 MET 73 HB3 MET 73 8.382 -6.686 3.086 582 HG2 MET 73 HG2 MET 73 7.594 -8.512 1.778 583 HG3 MET 73 HG3 MET 73 6.006 -7.783 1.571 584 HE1 MET 73 HE1 MET 73 6.572 -4.803 0.738 585 HE2 MET 73 HE2 MET 73 5.452 -5.850 -0.140 586 HE3 MET 73 HE3 MET 73 6.687 -4.943 -1.014 587 H SER 74 H SER 74 5.168 -9.218 3.806 588 HA SER 74 HA SER 74 6.825 -10.991 5.406 589 HB2 SER 74 HB2 SER 74 4.301 -11.158 5.317 590 HB3 SER 74 HB3 SER 74 4.431 -11.688 3.644 591 HG SER 74 HG SER 74 5.608 -12.993 5.882 592 H ARG 75 H ARG 75 7.212 -13.282 4.179 593 HA ARG 75 HA ARG 75 9.090 -12.588 2.009 594 HB2 ARG 75 HB2 ARG 75 9.080 -14.707 4.156 595 HB3 ARG 75 HB3 ARG 75 9.944 -15.050 2.663 596 HG2 ARG 75 HG2 ARG 75 11.469 -14.186 4.358 597 HG3 ARG 75 HG3 ARG 75 11.354 -13.062 3.006 598 HD2 ARG 75 HD2 ARG 75 11.384 -11.838 5.103 599 HD3 ARG 75 HD3 ARG 75 9.799 -11.657 4.345 600 HE ARG 75 HE ARG 75 9.673 -13.828 6.109 601 HH11 ARG 75 HH11 ARG 75 10.031 -10.320 6.296 602 HH12 ARG 75 HH12 ARG 75 9.315 -10.219 7.875 603 HH21 ARG 75 HH21 ARG 75 8.758 -13.673 8.183 604 HH22 ARG 75 HH22 ARG 75 8.597 -12.116 8.941 605 H ALA 76 H ALA 76 9.505 -14.249 0.369 606 HA ALA 76 HA ALA 76 7.222 -14.950 -1.139 607 HB1 ALA 76 HB1 ALA 76 10.085 -15.973 -1.386 608 HB2 ALA 76 HB2 ALA 76 9.436 -14.526 -2.158 609 HB3 ALA 76 HB3 ALA 76 8.833 -16.116 -2.626 610 H GLY 77 H GLY 77 5.989 -16.754 -1.149 611 HA2 GLY 77 HA2 GLY 77 5.392 -18.989 -0.869 612 HA3 GLY 77 HA3 GLY 77 6.890 -19.287 -0.012 613 H SER 78 H SER 78 6.061 -16.729 1.616 614 HA SER 78 HA SER 78 4.829 -18.199 3.796 615 HB2 SER 78 HB2 SER 78 6.650 -16.622 4.294 616 HB3 SER 78 HB3 SER 78 5.755 -15.300 3.541 617 HG SER 78 HG SER 78 4.454 -15.180 5.245 618 H ARG 79 H ARG 79 2.668 -18.375 3.975 619 HA ARG 79 HA ARG 79 0.979 -16.060 3.252 620 HB2 ARG 79 HB2 ARG 79 0.417 -18.978 2.603 621 HB3 ARG 79 HB3 ARG 79 -0.876 -17.796 2.738 622 HG2 ARG 79 HG2 ARG 79 -0.502 -17.794 0.457 623 HG3 ARG 79 HG3 ARG 79 0.474 -16.428 0.989 624 HD2 ARG 79 HD2 ARG 79 2.483 -17.916 0.954 625 HD3 ARG 79 HD3 ARG 79 1.481 -19.209 0.294 626 HE ARG 79 HE ARG 79 2.617 -17.004 -1.108 627 HH11 ARG 79 HH11 ARG 79 -0.227 -19.087 -1.142 628 HH12 ARG 79 HH12 ARG 79 -0.520 -18.838 -2.832 629 HH21 ARG 79 HH21 ARG 79 2.204 -16.695 -3.289 630 HH22 ARG 79 HH22 ARG 79 0.859 -17.483 -4.049 631 HA PRO 80 HA PRO 80 -1.357 -15.457 3.578 632 HB2 PRO 80 HB2 PRO 80 -2.036 -13.608 5.801 633 HB3 PRO 80 HB3 PRO 80 -3.120 -14.480 4.700 634 HG2 PRO 80 HG2 PRO 80 -2.917 -15.118 7.328 635 HG3 PRO 80 HG3 PRO 80 -3.298 -16.311 6.069 636 HD2 PRO 80 HD2 PRO 80 -0.660 -15.806 7.438 637 HD3 PRO 80 HD3 PRO 80 -1.429 -17.349 7.002 638 H TRP 81 H TRP 81 0.072 -14.330 2.405 639 HA TRP 81 HA TRP 81 2.343 -12.987 3.521 640 HB2 TRP 81 HB2 TRP 81 2.439 -13.964 1.240 641 HB3 TRP 81 HB3 TRP 81 1.187 -12.856 0.694 642 HD1 TRP 81 HD1 TRP 81 4.922 -12.955 1.556 643 HE1 TRP 81 HE1 TRP 81 6.038 -10.789 0.751 644 HE3 TRP 81 HE3 TRP 81 0.758 -10.357 0.115 645 HZ2 TRP 81 HZ2 TRP 81 5.277 -8.317 -0.356 646 HZ3 TRP 81 HZ3 TRP 81 1.043 -8.109 -0.824 647 HH2 TRP 81 HH2 TRP 81 3.256 -7.103 -1.054 648 H LYS 82 H LYS 82 2.055 -11.104 4.662 649 HA LYS 82 HA LYS 82 0.196 -9.100 3.532 650 HB2 LYS 82 HB2 LYS 82 -0.654 -10.116 5.644 651 HB3 LYS 82 HB3 LYS 82 0.787 -9.546 6.478 652 HG2 LYS 82 HG2 LYS 82 0.147 -7.228 6.125 653 HG3 LYS 82 HG3 LYS 82 -1.195 -7.719 5.088 654 HD2 LYS 82 HD2 LYS 82 -2.118 -7.128 7.221 655 HD3 LYS 82 HD3 LYS 82 -2.223 -8.880 7.068 656 HE2 LYS 82 HE2 LYS 82 -0.051 -7.433 8.625 657 HE3 LYS 82 HE3 LYS 82 -1.533 -8.056 9.339 658 HZ1 LYS 82 HZ1 LYS 82 -0.857 -10.285 8.597 659 HZ2 LYS 82 HZ2 LYS 82 0.212 -9.599 9.704 660 HZ3 LYS 82 HZ3 LYS 82 0.619 -9.656 8.065 661 H ALA 83 H ALA 83 0.814 -6.976 3.672 662 HA ALA 83 HA ALA 83 3.530 -6.250 4.396 663 HB1 ALA 83 HB1 ALA 83 4.017 -5.317 2.156 664 HB2 ALA 83 HB2 ALA 83 2.500 -5.985 1.539 665 HB3 ALA 83 HB3 ALA 83 3.790 -7.063 2.080 666 H TYR 84 H TYR 84 3.667 -4.063 4.762 667 HA TYR 84 HA TYR 84 1.243 -2.419 4.451 668 HB2 TYR 84 HB2 TYR 84 3.245 -2.563 6.737 669 HB3 TYR 84 HB3 TYR 84 2.136 -1.209 6.533 670 HD1 TYR 84 HD1 TYR 84 -0.405 -1.789 6.335 671 HD2 TYR 84 HD2 TYR 84 2.486 -4.475 7.974 672 HE1 TYR 84 HE1 TYR 84 -2.196 -2.998 7.493 673 HE2 TYR 84 HE2 TYR 84 0.688 -5.684 9.137 674 HH TYR 84 HH TYR 84 -2.617 -5.183 8.446 675 H LEU 85 H LEU 85 1.495 -0.756 3.240 676 HA LEU 85 HA LEU 85 4.154 0.327 2.539 677 HB2 LEU 85 HB2 LEU 85 1.559 0.395 0.946 678 HB3 LEU 85 HB3 LEU 85 3.109 1.024 0.414 679 HG LEU 85 HG LEU 85 2.450 -1.909 0.877 680 HD11 LEU 85 HD11 LEU 85 1.317 -1.017 -1.086 681 HD12 LEU 85 HD12 LEU 85 2.600 -2.127 -1.562 682 HD13 LEU 85 HD13 LEU 85 2.841 -0.383 -1.717 683 HD21 LEU 85 HD21 LEU 85 4.797 -1.474 1.390 684 HD22 LEU 85 HD22 LEU 85 5.016 -0.649 -0.155 685 HD23 LEU 85 HD23 LEU 85 4.660 -2.378 -0.118 686 H SER 86 H SER 86 4.278 2.613 2.344 687 HA SER 86 HA SER 86 1.938 4.215 3.053 688 HB2 SER 86 HB2 SER 86 3.132 3.916 5.197 689 HB3 SER 86 HB3 SER 86 4.630 4.495 4.467 690 HG SER 86 HG SER 86 2.223 5.974 4.773 691 H ALA 87 H ALA 87 2.087 6.357 2.346 692 HA ALA 87 HA ALA 87 4.416 7.420 1.011 693 HB1 ALA 87 HB1 ALA 87 3.367 6.166 -0.843 694 HB2 ALA 87 HB2 ALA 87 3.249 7.904 -1.123 695 HB3 ALA 87 HB3 ALA 87 1.837 7.004 -0.558 696 H GLN 88 H GLN 88 3.840 9.690 0.248 697 HA GLN 88 HA GLN 88 1.519 10.944 1.502 698 HB2 GLN 88 HB2 GLN 88 3.343 11.054 3.210 699 HB3 GLN 88 HB3 GLN 88 4.383 11.863 2.043 700 HG2 GLN 88 HG2 GLN 88 2.815 13.787 1.996 701 HG3 GLN 88 HG3 GLN 88 1.770 12.956 3.146 702 HE21 GLN 88 HE21 GLN 88 4.030 11.943 4.755 703 HE22 GLN 88 HE22 GLN 88 4.621 13.314 5.617 704 H ASP 89 H ASP 89 0.680 12.385 -0.014 705 HA ASP 89 HA ASP 89 2.130 12.805 -2.483 706 HB2 ASP 89 HB2 ASP 89 0.133 14.160 -3.171 707 HB3 ASP 89 HB3 ASP 89 -0.268 12.538 -2.629 708 H ASP 90 H ASP 90 2.185 15.121 -3.415 709 HA ASP 90 HA ASP 90 3.997 16.668 -1.878 710 HB2 ASP 90 HB2 ASP 90 3.978 18.244 -3.779 711 HB3 ASP 90 HB3 ASP 90 4.119 16.580 -4.333 712 H THR 91 H THR 91 0.609 16.602 -1.648 713 HA THR 91 HA THR 91 0.409 19.436 -0.735 714 HB THR 91 HB THR 91 -2.040 19.212 -0.815 715 HG1 THR 91 HG1 THR 91 -1.422 16.536 -1.453 716 HG21 THR 91 HG21 THR 91 -0.695 18.301 -3.394 717 HG22 THR 91 HG22 THR 91 -0.868 19.973 -2.859 718 HG23 THR 91 HG23 THR 91 -2.300 19.036 -3.281 719 H GLY 92 H GLY 92 1.161 16.531 0.623 720 HA2 GLY 92 HA2 GLY 92 1.841 16.446 2.864 721 HA3 GLY 92 HA3 GLY 92 0.721 17.731 3.264 722 H CYS 93 H CYS 93 -0.928 15.344 1.516 723 HA CYS 93 HA CYS 93 -2.167 14.252 3.888 724 HB2 CYS 93 HB2 CYS 93 -2.740 13.932 0.945 725 HB3 CYS 93 HB3 CYS 93 -3.454 12.820 2.124 726 HG CYS 93 HG CYS 93 -3.828 16.197 2.024 727 H LEU 94 H LEU 94 -1.888 12.361 4.776 728 HA LEU 94 HA LEU 94 0.451 10.790 3.982 729 HB2 LEU 94 HB2 LEU 94 0.079 11.829 6.338 730 HB3 LEU 94 HB3 LEU 94 -1.134 10.589 6.587 731 HG LEU 94 HG LEU 94 1.125 10.126 7.638 732 HD11 LEU 94 HD11 LEU 94 -0.476 8.327 7.236 733 HD12 LEU 94 HD12 LEU 94 1.188 7.775 7.098 734 HD13 LEU 94 HD13 LEU 94 0.226 8.045 5.642 735 HD21 LEU 94 HD21 LEU 94 2.575 11.006 5.851 736 HD22 LEU 94 HD22 LEU 94 2.072 9.694 4.783 737 HD23 LEU 94 HD23 LEU 94 2.981 9.335 6.254 738 H PHE 95 H PHE 95 0.193 8.786 3.129 739 HA PHE 95 HA PHE 95 -2.456 7.497 2.946 740 HB2 PHE 95 HB2 PHE 95 -0.014 7.230 1.125 741 HB3 PHE 95 HB3 PHE 95 -1.522 6.355 0.911 742 HD1 PHE 95 HD2 PHE 95 -0.026 9.779 0.874 743 HD2 PHE 95 HD1 PHE 95 -3.327 7.324 -0.300 744 HE1 PHE 95 HE2 PHE 95 -0.865 11.581 -0.572 745 HE2 PHE 95 HE1 PHE 95 -4.149 9.135 -1.747 746 HZ PHE 95 HZ PHE 95 -2.921 11.262 -1.886 747 H LEU 96 H LEU 96 -2.673 5.551 3.894 748 HA LEU 96 HA LEU 96 -0.314 3.880 4.539 749 HB2 LEU 96 HB2 LEU 96 -2.983 4.013 5.987 750 HB3 LEU 96 HB3 LEU 96 -1.610 3.018 6.447 751 HG LEU 96 HG LEU 96 -1.611 6.060 6.483 752 HD11 LEU 96 HD11 LEU 96 -1.818 5.932 8.879 753 HD12 LEU 96 HD12 LEU 96 -1.916 4.168 8.826 754 HD13 LEU 96 HD13 LEU 96 -3.201 5.151 8.116 755 HD21 LEU 96 HD21 LEU 96 0.437 5.849 7.774 756 HD22 LEU 96 HD22 LEU 96 0.616 5.085 6.198 757 HD23 LEU 96 HD23 LEU 96 0.372 4.091 7.637 758 H THR 97 H THR 97 -0.343 1.926 3.558 759 HA THR 97 HA THR 97 -2.856 0.860 2.411 760 HB THR 97 HB THR 97 -0.103 0.696 1.115 761 HG1 THR 97 HG1 THR 97 -2.028 2.673 1.120 762 HG21 THR 97 HG21 THR 97 -1.356 0.071 -0.930 763 HG22 THR 97 HG22 THR 97 -2.868 0.133 -0.023 764 HG23 THR 97 HG23 THR 97 -1.660 -1.094 0.367 765 H GLU 98 H GLU 98 -3.130 -1.331 2.400 766 HA GLU 98 HA GLU 98 -1.096 -3.101 3.603 767 HB2 GLU 98 HB2 GLU 98 -2.957 -2.829 5.143 768 HB3 GLU 98 HB3 GLU 98 -4.124 -3.141 3.867 769 HG2 GLU 98 HG2 GLU 98 -3.308 -5.477 3.711 770 HG3 GLU 98 HG3 GLU 98 -2.161 -5.153 5.015 771 H LEU 99 H LEU 99 -0.678 -4.924 2.474 772 HA LEU 99 HA LEU 99 -2.348 -5.743 0.170 773 HB2 LEU 99 HB2 LEU 99 0.664 -6.125 0.540 774 HB3 LEU 99 HB3 LEU 99 -0.275 -6.680 -0.833 775 HG LEU 99 HG LEU 99 0.278 -3.772 -0.122 776 HD11 LEU 99 HD11 LEU 99 1.700 -3.762 -2.131 777 HD12 LEU 99 HD12 LEU 99 1.412 -5.489 -2.355 778 HD13 LEU 99 HD13 LEU 99 2.279 -4.917 -0.928 779 HD21 LEU 99 HD21 LEU 99 -1.196 -4.930 -2.510 780 HD22 LEU 99 HD22 LEU 99 -0.745 -3.234 -2.303 781 HD23 LEU 99 HD23 LEU 99 -1.899 -3.979 -1.199 782 H LEU 100 H LEU 100 -3.292 -7.680 0.619 783 HA LEU 100 HA LEU 100 -2.028 -9.543 2.563 784 HB2 LEU 100 HB2 LEU 100 -3.984 -8.419 3.590 785 HB3 LEU 100 HB3 LEU 100 -4.982 -8.870 2.216 786 HG LEU 100 HG LEU 100 -4.630 -11.302 2.830 787 HD11 LEU 100 HD11 LEU 100 -3.366 -10.190 5.342 788 HD12 LEU 100 HD12 LEU 100 -2.553 -11.107 4.070 789 HD13 LEU 100 HD13 LEU 100 -3.798 -11.878 5.051 790 HD21 LEU 100 HD21 LEU 100 -6.237 -11.314 4.685 791 HD22 LEU 100 HD22 LEU 100 -6.692 -10.156 3.437 792 HD23 LEU 100 HD23 LEU 100 -5.967 -9.587 4.942 793 H LEU 101 H LEU 101 -1.617 -11.464 1.585 794 HA LEU 101 HA LEU 101 -3.181 -12.315 -0.767 795 HB2 LEU 101 HB2 LEU 101 -0.776 -11.819 -1.273 796 HB3 LEU 101 HB3 LEU 101 -0.293 -12.988 -0.063 797 HG LEU 101 HG LEU 101 -1.342 -14.814 -1.417 798 HD11 LEU 101 HD11 LEU 101 -3.058 -13.539 -2.575 799 HD12 LEU 101 HD12 LEU 101 -2.044 -14.409 -3.723 800 HD13 LEU 101 HD13 LEU 101 -1.827 -12.671 -3.497 801 HD21 LEU 101 HD21 LEU 101 1.048 -14.362 -1.651 802 HD22 LEU 101 HD22 LEU 101 0.722 -13.187 -2.930 803 HD23 LEU 101 HD23 LEU 101 0.357 -14.896 -3.187 804 H GLU 102 H GLU 102 -4.453 -13.944 -0.289 805 HA GLU 102 HA GLU 102 -4.817 -14.950 2.277 806 HB2 GLU 102 HB2 GLU 102 -5.892 -15.855 -0.421 807 HB3 GLU 102 HB3 GLU 102 -6.516 -16.447 1.114 808 HG2 GLU 102 HG2 GLU 102 -6.508 -13.520 0.314 809 HG3 GLU 102 HG3 GLU 102 -7.868 -14.607 0.056 810 HA PRO 103 HA PRO 103 -2.310 -18.538 3.069 811 HB2 PRO 103 HB2 PRO 103 -4.921 -19.989 3.548 812 HB3 PRO 103 HB3 PRO 103 -3.456 -19.951 4.557 813 HG2 PRO 103 HG2 PRO 103 -5.543 -18.472 5.233 814 HG3 PRO 103 HG3 PRO 103 -3.899 -17.811 5.372 815 HD2 PRO 103 HD2 PRO 103 -6.003 -17.203 3.325 816 HD3 PRO 103 HD3 PRO 103 -4.764 -16.138 4.032 817 H GLY 104 H GLY 104 -5.206 -20.179 1.750 818 HA2 GLY 104 HA2 GLY 104 -3.502 -21.771 -0.042 819 HA3 GLY 104 HA3 GLY 104 -5.166 -22.109 0.414 820 H ASN 105 H ASN 105 -5.778 -19.178 -0.184 821 HA ASN 105 HA ASN 105 -6.475 -19.619 -3.008 822 HB2 ASN 105 HB2 ASN 105 -7.484 -17.606 -0.935 823 HB3 ASN 105 HB3 ASN 105 -8.002 -17.613 -2.622 824 HD21 ASN 105 HD21 ASN 105 -9.521 -18.108 -0.082 825 HD22 ASN 105 HD22 ASN 105 -10.306 -19.623 -0.341 826 H SER 106 H SER 106 -5.796 -18.335 -4.629 827 HA SER 106 HA SER 106 -3.586 -16.487 -4.288 828 HB2 SER 106 HB2 SER 106 -5.071 -17.345 -6.822 829 HB3 SER 106 HB3 SER 106 -3.484 -16.575 -6.750 830 HG SER 106 HG SER 106 -3.113 -18.728 -6.978 831 H GLU 107 H GLU 107 -5.440 -15.279 -2.938 832 HA GLU 107 HA GLU 107 -6.728 -13.234 -4.651 833 HB2 GLU 107 HB2 GLU 107 -8.389 -14.659 -3.575 834 HB3 GLU 107 HB3 GLU 107 -7.605 -14.477 -2.007 835 HG2 GLU 107 HG2 GLU 107 -8.165 -12.067 -2.029 836 HG3 GLU 107 HG3 GLU 107 -8.990 -12.281 -3.574 837 H MET 108 H MET 108 -5.946 -11.233 -4.318 838 HA MET 108 HA MET 108 -4.435 -10.591 -1.884 839 HB2 MET 108 HB2 MET 108 -2.991 -10.523 -3.867 840 HB3 MET 108 HB3 MET 108 -4.102 -9.419 -4.669 841 HG2 MET 108 HG2 MET 108 -3.582 -7.647 -3.126 842 HG3 MET 108 HG3 MET 108 -2.697 -8.747 -2.071 843 HE1 MET 108 HE1 MET 108 -0.265 -9.602 -2.496 844 HE2 MET 108 HE2 MET 108 0.563 -9.436 -4.044 845 HE3 MET 108 HE3 MET 108 -0.872 -10.454 -3.921 846 H GLN 109 H GLN 109 -5.389 -9.180 -0.601 847 HA GLN 109 HA GLN 109 -7.583 -7.464 -1.505 848 HB2 GLN 109 HB2 GLN 109 -6.919 -8.489 1.295 849 HB3 GLN 109 HB3 GLN 109 -8.289 -7.458 0.886 850 HG2 GLN 109 HG2 GLN 109 -9.175 -9.283 -0.563 851 HG3 GLN 109 HG3 GLN 109 -7.835 -10.306 -0.041 852 HE21 GLN 109 HE21 GLN 109 -9.228 -11.855 0.921 853 HE22 GLN 109 HE22 GLN 109 -10.109 -11.522 2.371 854 H ILE 110 H ILE 110 -7.105 -5.394 -1.593 855 HA ILE 110 HA ILE 110 -4.634 -4.304 -0.380 856 HB ILE 110 HB ILE 110 -6.236 -3.172 -2.744 857 HG12 ILE 110 HG12 ILE 110 -4.024 -3.738 -4.044 858 HG13 ILE 110 HG13 ILE 110 -3.675 -4.814 -2.702 859 HG21 ILE 110 HG21 ILE 110 -3.595 -2.236 -1.559 860 HG22 ILE 110 HG22 ILE 110 -5.142 -1.393 -1.448 861 HG23 ILE 110 HG23 ILE 110 -4.346 -1.577 -3.013 862 HD11 ILE 110 HD11 ILE 110 -6.080 -5.003 -4.521 863 HD12 ILE 110 HD12 ILE 110 -5.684 -6.104 -3.199 864 HD13 ILE 110 HD13 ILE 110 -4.626 -6.003 -4.605 865 H SER 111 H SER 111 -5.066 -3.103 1.448 866 HA SER 111 HA SER 111 -7.716 -1.774 1.721 867 HB2 SER 111 HB2 SER 111 -5.838 -2.702 3.947 868 HB3 SER 111 HB3 SER 111 -7.463 -2.043 4.147 869 HG SER 111 HG SER 111 -6.699 -4.573 3.672 870 H VAL 112 H VAL 112 -7.412 0.293 1.138 871 HA VAL 112 HA VAL 112 -4.950 1.752 1.876 872 HB VAL 112 HB VAL 112 -7.052 2.625 -0.164 873 HG11 VAL 112 HG11 VAL 112 -5.289 4.152 -0.977 874 HG12 VAL 112 HG12 VAL 112 -4.199 3.569 0.284 875 HG13 VAL 112 HG13 VAL 112 -5.665 4.448 0.725 876 HG21 VAL 112 HG21 VAL 112 -6.087 0.497 -0.940 877 HG22 VAL 112 HG22 VAL 112 -4.458 1.152 -0.755 878 HG23 VAL 112 HG23 VAL 112 -5.551 1.840 -1.957 879 H LYS 113 H LYS 113 -5.094 3.387 3.300 880 HA LYS 113 HA LYS 113 -7.565 4.823 3.837 881 HB2 LYS 113 HB2 LYS 113 -7.217 4.626 6.324 882 HB3 LYS 113 HB3 LYS 113 -7.651 3.103 5.560 883 HG2 LYS 113 HG2 LYS 113 -5.393 2.277 5.724 884 HG3 LYS 113 HG3 LYS 113 -4.795 3.857 6.229 885 HD2 LYS 113 HD2 LYS 113 -4.898 2.425 8.167 886 HD3 LYS 113 HD3 LYS 113 -6.151 3.655 8.323 887 HE2 LYS 113 HE2 LYS 113 -7.857 2.051 7.664 888 HE3 LYS 113 HE3 LYS 113 -6.623 0.827 7.338 889 HZ1 LYS 113 HZ1 LYS 113 -7.161 2.043 9.997 890 HZ2 LYS 113 HZ2 LYS 113 -6.028 0.833 9.663 891 HZ3 LYS 113 HZ3 LYS 113 -7.676 0.511 9.496 892 H GLN 114 H GLN 114 -6.840 6.817 3.197 893 HA GLN 114 HA GLN 114 -4.280 7.819 4.266 894 HB2 GLN 114 HB2 GLN 114 -4.512 9.638 2.658 895 HB3 GLN 114 HB3 GLN 114 -4.641 8.078 1.857 896 HG2 GLN 114 HG2 GLN 114 -7.096 8.330 1.791 897 HG3 GLN 114 HG3 GLN 114 -6.946 9.912 2.553 898 HE21 GLN 114 HE21 GLN 114 -5.834 11.587 1.371 899 HE22 GLN 114 HE22 GLN 114 -5.789 11.555 -0.353 900 H ASN 115 H ASN 115 -4.299 10.117 5.054 901 HA ASN 115 HA ASN 115 -5.938 10.070 7.405 902 HB2 ASN 115 HB2 ASN 115 -3.559 10.707 7.531 903 HB3 ASN 115 HB3 ASN 115 -3.859 12.107 6.502 904 HD21 ASN 115 HD21 ASN 115 -3.203 13.588 8.026 905 HD22 ASN 115 HD22 ASN 115 -4.073 13.921 9.478 906 H GLU 116 H GLU 116 -5.405 12.740 5.029 907 HA GLU 116 HA GLU 116 -8.267 13.492 5.321 908 HB2 GLU 116 HB2 GLU 116 -5.913 14.956 4.047 909 HB3 GLU 116 HB3 GLU 116 -7.574 15.539 3.994 910 HG2 GLU 116 HG2 GLU 116 -7.612 15.762 6.422 911 HG3 GLU 116 HG3 GLU 116 -5.999 15.058 6.532 912 H ALA 117 H ALA 117 -9.469 12.318 3.959 913 HA ALA 117 HA ALA 117 -8.315 11.040 1.610 914 HB1 ALA 117 HB1 ALA 117 -10.389 9.705 1.603 915 HB2 ALA 117 HB2 ALA 117 -11.061 10.720 2.882 916 HB3 ALA 117 HB3 ALA 117 -9.654 9.708 3.206 917 H ARG 118 H ARG 118 -8.364 12.073 -0.292 918 HA ARG 118 HA ARG 118 -10.793 13.570 -1.113 919 HB2 ARG 118 HB2 ARG 118 -8.066 13.493 -2.505 920 HB3 ARG 118 HB3 ARG 118 -9.462 14.423 -3.022 921 HG2 ARG 118 HG2 ARG 118 -8.066 16.014 -2.037 922 HG3 ARG 118 HG3 ARG 118 -9.256 15.667 -0.790 923 HD2 ARG 118 HD2 ARG 118 -7.695 14.518 0.557 924 HD3 ARG 118 HD3 ARG 118 -6.612 14.191 -0.798 925 HE ARG 118 HE ARG 118 -6.971 16.864 0.447 926 HH11 ARG 118 HH11 ARG 118 -4.903 14.491 -1.097 927 HH12 ARG 118 HH12 ARG 118 -3.484 15.471 -0.997 928 HH21 ARG 118 HH21 ARG 118 -5.092 18.131 0.595 929 HH22 ARG 118 HH22 ARG 118 -3.593 17.528 -0.042 930 H THR 119 H THR 119 -11.798 12.943 -3.039 931 HA THR 119 HA THR 119 -11.872 10.196 -3.676 932 HB THR 119 HB THR 119 -12.931 12.462 -5.438 933 HG1 THR 119 HG1 THR 119 -13.901 11.337 -3.030 934 HG21 THR 119 HG21 THR 119 -14.623 10.797 -6.134 935 HG22 THR 119 HG22 THR 119 -13.879 9.586 -5.087 936 HG23 THR 119 HG23 THR 119 -12.995 10.199 -6.483 937 H GLU 120 H GLU 120 -10.320 12.993 -5.275 938 HA GLU 120 HA GLU 120 -9.377 11.657 -7.573 939 HB2 GLU 120 HB2 GLU 120 -9.502 14.115 -7.423 940 HB3 GLU 120 HB3 GLU 120 -8.257 14.117 -6.182 941 HG2 GLU 120 HG2 GLU 120 -7.329 14.812 -8.331 942 HG3 GLU 120 HG3 GLU 120 -6.609 13.284 -7.820 943 H THR 121 H THR 121 -7.738 12.415 -4.484 944 HA THR 121 HA THR 121 -5.198 11.423 -5.166 945 HB THR 121 HB THR 121 -4.758 11.381 -2.683 946 HG1 THR 121 HG1 THR 121 -6.814 10.784 -1.939 947 HG21 THR 121 HG21 THR 121 -6.187 13.882 -3.637 948 HG22 THR 121 HG22 THR 121 -4.497 13.489 -3.955 949 HG23 THR 121 HG23 THR 121 -5.040 13.785 -2.303 950 H LEU 122 H LEU 122 -7.921 9.896 -3.443 951 HA LEU 122 HA LEU 122 -6.697 7.460 -2.827 952 HB2 LEU 122 HB2 LEU 122 -8.821 8.332 -1.826 953 HB3 LEU 122 HB3 LEU 122 -9.648 7.997 -3.337 954 HG LEU 122 HG LEU 122 -9.290 5.568 -3.027 955 HD11 LEU 122 HD11 LEU 122 -8.351 4.660 -0.957 956 HD12 LEU 122 HD12 LEU 122 -7.931 6.286 -0.414 957 HD13 LEU 122 HD13 LEU 122 -7.154 5.601 -1.845 958 HD21 LEU 122 HD21 LEU 122 -10.493 6.846 -0.550 959 HD22 LEU 122 HD22 LEU 122 -10.806 5.213 -1.150 960 HD23 LEU 122 HD23 LEU 122 -11.322 6.610 -2.092 961 H ASN 123 H ASN 123 -8.684 8.406 -5.682 962 HA ASN 123 HA ASN 123 -8.703 5.867 -6.961 963 HB2 ASN 123 HB2 ASN 123 -9.095 8.684 -8.073 964 HB3 ASN 123 HB3 ASN 123 -9.229 7.246 -9.087 965 HD21 ASN 123 HD21 ASN 123 -11.268 9.243 -8.393 966 HD22 ASN 123 HD22 ASN 123 -12.566 8.352 -7.689 967 H SER 124 H SER 124 -6.584 8.695 -7.363 968 HA SER 124 HA SER 124 -5.030 7.674 -9.514 969 HB2 SER 124 HB2 SER 124 -4.395 9.900 -7.524 970 HB3 SER 124 HB3 SER 124 -3.481 9.573 -8.998 971 HG SER 124 HG SER 124 -5.992 10.728 -8.675 972 H PHE 125 H PHE 125 -4.631 7.593 -5.987 973 HA PHE 125 HA PHE 125 -1.988 6.607 -5.842 974 HB2 PHE 125 HB2 PHE 125 -3.207 7.580 -3.878 975 HB3 PHE 125 HB3 PHE 125 -4.273 6.182 -3.852 976 HD1 PHE 125 HD2 PHE 125 -0.830 7.358 -3.228 977 HD2 PHE 125 HD1 PHE 125 -3.520 4.058 -2.892 978 HE1 PHE 125 HE2 PHE 125 0.777 6.194 -1.785 979 HE2 PHE 125 HE1 PHE 125 -1.906 2.900 -1.450 980 HZ PHE 125 HZ PHE 125 0.246 3.963 -0.895 981 H ILE 126 H ILE 126 -5.143 4.969 -5.750 982 HA ILE 126 HA ILE 126 -4.234 2.307 -5.636 983 HB ILE 126 HB ILE 126 -6.845 3.434 -6.739 984 HG12 ILE 126 HG12 ILE 126 -6.366 2.130 -4.024 985 HG13 ILE 126 HG13 ILE 126 -6.231 3.866 -4.277 986 HG21 ILE 126 HG21 ILE 126 -7.804 1.170 -6.442 987 HG22 ILE 126 HG22 ILE 126 -6.212 0.555 -6.002 988 HG23 ILE 126 HG23 ILE 126 -6.494 1.166 -7.632 989 HD11 ILE 126 HD11 ILE 126 -8.557 3.964 -4.946 990 HD12 ILE 126 HD12 ILE 126 -8.372 3.266 -3.339 991 HD13 ILE 126 HD13 ILE 126 -8.712 2.219 -4.719 992 H SER 127 H SER 127 -4.935 4.476 -8.379 993 HA SER 127 HA SER 127 -4.704 2.688 -10.507 994 HB2 SER 127 HB2 SER 127 -5.578 4.982 -10.762 995 HB3 SER 127 HB3 SER 127 -3.978 5.655 -10.446 996 HG SER 127 HG SER 127 -4.406 3.797 -12.527 997 H VAL 128 H VAL 128 -2.195 4.525 -8.777 998 HA VAL 128 HA VAL 128 0.063 3.737 -10.248 999 HB VAL 128 HB VAL 128 -0.152 4.417 -7.271 1000 HG11 VAL 128 HG11 VAL 128 2.290 4.856 -7.345 1001 HG12 VAL 128 HG12 VAL 128 2.342 4.252 -9.002 1002 HG13 VAL 128 HG13 VAL 128 1.921 3.160 -7.684 1003 HG21 VAL 128 HG21 VAL 128 -0.879 6.253 -8.740 1004 HG22 VAL 128 HG22 VAL 128 0.631 6.154 -9.642 1005 HG23 VAL 128 HG23 VAL 128 0.646 6.667 -7.953 1006 H LEU 129 H LEU 129 -1.420 2.325 -7.302 1007 HA LEU 129 HA LEU 129 0.172 0.065 -6.989 1008 HB2 LEU 129 HB2 LEU 129 -2.801 0.298 -6.369 1009 HB3 LEU 129 HB3 LEU 129 -1.729 -0.939 -5.732 1010 HG LEU 129 HG LEU 129 -1.541 2.034 -5.137 1011 HD11 LEU 129 HD11 LEU 129 -2.515 -0.241 -3.390 1012 HD12 LEU 129 HD12 LEU 129 -3.508 1.024 -4.120 1013 HD13 LEU 129 HD13 LEU 129 -2.318 1.441 -2.890 1014 HD21 LEU 129 HD21 LEU 129 0.676 1.006 -5.060 1015 HD22 LEU 129 HD22 LEU 129 0.083 -0.258 -3.979 1016 HD23 LEU 129 HD23 LEU 129 0.128 1.422 -3.437 1017 H GLU 130 H GLU 130 -2.696 0.514 -9.088 1018 HA GLU 130 HA GLU 130 -3.117 -2.163 -9.864 1019 HB2 GLU 130 HB2 GLU 130 -3.770 0.402 -11.392 1020 HB3 GLU 130 HB3 GLU 130 -4.394 -1.195 -11.799 1021 HG2 GLU 130 HG2 GLU 130 -4.930 0.307 -9.233 1022 HG3 GLU 130 HG3 GLU 130 -6.038 0.181 -10.589 1023 H THR 131 H THR 131 -1.235 0.465 -11.260 1024 HA THR 131 HA THR 131 -0.376 -0.866 -13.590 1025 HB THR 131 HB THR 131 0.879 1.506 -12.149 1026 HG1 THR 131 HG1 THR 131 -1.391 1.621 -12.875 1027 HG21 THR 131 HG21 THR 131 1.197 0.581 -15.036 1028 HG22 THR 131 HG22 THR 131 2.460 0.547 -13.802 1029 HG23 THR 131 HG23 THR 131 1.824 2.091 -14.380 1030 H VAL 132 H VAL 132 1.149 -0.424 -10.383 1031 HA VAL 132 HA VAL 132 3.625 -1.668 -10.950 1032 HB VAL 132 HB VAL 132 2.206 -1.304 -8.264 1033 HG11 VAL 132 HG11 VAL 132 4.433 -1.666 -7.223 1034 HG12 VAL 132 HG12 VAL 132 5.097 -2.069 -8.803 1035 HG13 VAL 132 HG13 VAL 132 3.870 -3.107 -8.079 1036 HG21 VAL 132 HG21 VAL 132 2.715 0.818 -9.424 1037 HG22 VAL 132 HG22 VAL 132 4.403 0.336 -9.584 1038 HG23 VAL 132 HG23 VAL 132 3.721 0.636 -7.984 1039 H ILE 133 H ILE 133 0.655 -2.953 -9.425 1040 HA ILE 133 HA ILE 133 1.619 -5.570 -8.909 1041 HB ILE 133 HB ILE 133 -1.194 -4.416 -9.084 1042 HG12 ILE 133 HG12 ILE 133 0.491 -5.299 -6.694 1043 HG13 ILE 133 HG13 ILE 133 0.165 -3.637 -7.167 1044 HG21 ILE 133 HG21 ILE 133 -2.082 -6.491 -8.088 1045 HG22 ILE 133 HG22 ILE 133 -0.495 -7.233 -8.247 1046 HG23 ILE 133 HG23 ILE 133 -1.392 -6.775 -9.689 1047 HD11 ILE 133 HD11 ILE 133 -1.848 -5.635 -6.139 1048 HD12 ILE 133 HD12 ILE 133 -2.227 -4.003 -6.695 1049 HD13 ILE 133 HD13 ILE 133 -1.196 -4.234 -5.283 1050 H GLY 134 H GLY 134 -0.460 -4.269 -11.482 1051 HA2 GLY 134 HA2 GLY 134 -1.036 -6.610 -12.887 1052 HA3 GLY 134 HA3 GLY 134 -1.072 -4.994 -13.559 1053 H THR 135 H THR 135 1.613 -4.296 -13.402 1054 HA THR 135 HA THR 135 2.606 -5.455 -15.804 1055 HB THR 135 HB THR 135 3.006 -3.061 -15.013 1056 HG1 THR 135 HG1 THR 135 4.281 -3.400 -16.680 1057 HG21 THR 135 HG21 THR 135 4.958 -2.593 -13.602 1058 HG22 THR 135 HG22 THR 135 5.210 -4.323 -13.354 1059 HG23 THR 135 HG23 THR 135 3.767 -3.539 -12.711 1060 H ILE 136 H ILE 136 2.992 -6.334 -12.521 1061 HA ILE 136 HA ILE 136 5.402 -7.972 -12.907 1062 HB ILE 136 HB ILE 136 3.811 -7.186 -10.428 1063 HG12 ILE 136 HG12 ILE 136 6.622 -6.411 -11.320 1064 HG13 ILE 136 HG13 ILE 136 5.192 -5.408 -11.527 1065 HG21 ILE 136 HG21 ILE 136 4.736 -9.435 -10.048 1066 HG22 ILE 136 HG22 ILE 136 5.575 -8.242 -9.053 1067 HG23 ILE 136 HG23 ILE 136 6.339 -8.865 -10.518 1068 HD11 ILE 136 HD11 ILE 136 6.389 -6.259 -8.902 1069 HD12 ILE 136 HD12 ILE 136 4.932 -5.283 -9.111 1070 HD13 ILE 136 HD13 ILE 136 6.490 -4.666 -9.651 1071 H GLU 137 H GLU 137 1.927 -8.269 -12.647 1072 HA GLU 137 HA GLU 137 1.889 -11.146 -12.221 1073 HB2 GLU 137 HB2 GLU 137 -0.259 -9.233 -13.203 1074 HB3 GLU 137 HB3 GLU 137 -0.522 -10.925 -12.798 1075 HG2 GLU 137 HG2 GLU 137 0.103 -10.484 -10.468 1076 HG3 GLU 137 HG3 GLU 137 0.394 -8.789 -10.855 1077 H GLU 138 H GLU 138 1.511 -8.922 -14.924 1078 HA GLU 138 HA GLU 138 1.842 -11.103 -16.905 1079 HB2 GLU 138 HB2 GLU 138 -0.479 -9.831 -16.736 1080 HB3 GLU 138 HB3 GLU 138 0.364 -8.482 -17.472 1081 HG2 GLU 138 HG2 GLU 138 0.026 -11.233 -18.703 1082 HG3 GLU 138 HG3 GLU 138 -0.917 -9.812 -19.117 1083 H ILE 139 H ILE 139 3.828 -10.904 -17.795 1084 HA ILE 139 HA ILE 139 5.254 -8.335 -17.735 1085 HB ILE 139 HB ILE 139 6.271 -11.188 -18.075 1086 HG12 ILE 139 HG12 ILE 139 7.672 -10.549 -16.015 1087 HG13 ILE 139 HG13 ILE 139 6.700 -9.091 -15.898 1088 HG21 ILE 139 HG21 ILE 139 8.572 -10.259 -18.241 1089 HG22 ILE 139 HG22 ILE 139 7.897 -8.633 -18.324 1090 HG23 ILE 139 HG23 ILE 139 7.567 -9.789 -19.616 1091 HD11 ILE 139 HD11 ILE 139 5.693 -11.924 -15.644 1092 HD12 ILE 139 HD12 ILE 139 4.707 -10.467 -15.512 1093 HD13 ILE 139 HD13 ILE 139 5.970 -10.787 -14.324 1094 H LYS 140 H LYS 140 4.660 -7.209 -19.485 1095 HA LYS 140 HA LYS 140 5.870 -7.799 -21.970 1096 HB2 LYS 140 HB2 LYS 140 3.873 -9.232 -22.276 1097 HB3 LYS 140 HB3 LYS 140 2.819 -7.864 -21.966 1098 HG2 LYS 140 HG2 LYS 140 3.367 -6.826 -24.040 1099 HG3 LYS 140 HG3 LYS 140 4.777 -7.858 -24.279 1100 HD2 LYS 140 HD2 LYS 140 2.967 -8.506 -25.801 1101 HD3 LYS 140 HD3 LYS 140 3.300 -9.806 -24.661 1102 HE2 LYS 140 HE2 LYS 140 1.029 -7.835 -24.252 1103 HE3 LYS 140 HE3 LYS 140 0.844 -9.310 -25.194 1104 HZ1 LYS 140 HZ1 LYS 140 1.520 -10.574 -23.198 1105 HZ2 LYS 140 HZ2 LYS 140 0.091 -9.711 -22.980 1106 HZ3 LYS 140 HZ3 LYS 140 1.525 -9.143 -22.300 1107 H SER 141 H SER 141 3.171 -5.927 -20.565 1108 HA SER 141 HA SER 141 4.039 -3.466 -21.909 1109 HB2 SER 141 HB2 SER 141 1.553 -4.017 -20.233 1110 HB3 SER 141 HB3 SER 141 1.877 -2.554 -21.171 1111 HG SER 141 HG SER 141 1.988 -3.992 -23.038 Start of MODEL 2 1 H1 MET 1 H1 MET 1 23.972 35.138 27.660 2 H2 MET 1 H2 MET 1 24.742 34.697 29.097 3 H3 MET 1 H3 MET 1 23.290 33.959 28.654 4 HA MET 1 HA MET 1 25.818 33.754 27.140 5 HB2 MET 1 HB2 MET 1 24.487 31.768 29.028 6 HB3 MET 1 HB3 MET 1 25.809 31.351 27.943 7 HG2 MET 1 HG2 MET 1 26.666 31.714 30.175 8 HG3 MET 1 HG3 MET 1 27.259 32.973 29.099 9 HE1 MET 1 HE1 MET 1 24.035 33.594 32.369 10 HE2 MET 1 HE2 MET 1 24.935 32.091 32.132 11 HE3 MET 1 HE3 MET 1 23.745 32.607 30.939 12 H GLY 2 H GLY 2 25.541 33.016 25.096 13 HA2 GLY 2 HA2 GLY 2 24.622 31.736 23.354 14 HA3 GLY 2 HA3 GLY 2 23.164 31.478 24.301 15 H HIS 3 H HIS 3 23.066 32.182 21.617 16 HA HIS 3 HA HIS 3 21.317 34.428 21.683 17 HB2 HIS 3 HB2 HIS 3 22.505 35.912 20.083 18 HB3 HIS 3 HB3 HIS 3 23.424 35.734 21.569 19 HD1 HIS 3 HD1 HIS 3 23.631 35.210 17.921 20 HD2 HIS 3 HD2 HIS 3 25.791 34.105 21.307 21 HE1 HIS 3 HE1 HIS 3 25.847 34.375 17.070 22 HE2 HIS 3 HE2 HIS 3 27.085 33.599 19.120 23 H HIS 4 H HIS 4 19.749 33.985 20.279 24 HA HIS 4 HA HIS 4 20.092 33.045 17.616 25 HB2 HIS 4 HB2 HIS 4 18.789 30.859 17.888 26 HB3 HIS 4 HB3 HIS 4 20.423 30.826 18.527 27 HD1 HIS 4 HD1 HIS 4 16.833 30.776 19.637 28 HD2 HIS 4 HD2 HIS 4 20.625 30.414 21.292 29 HE1 HIS 4 HE1 HIS 4 16.469 29.925 21.972 30 HE2 HIS 4 HE2 HIS 4 18.771 29.726 22.961 31 H HIS 5 H HIS 5 18.849 34.834 17.114 32 HA HIS 5 HA HIS 5 15.951 34.666 17.773 33 HB2 HIS 5 HB2 HIS 5 16.969 36.680 18.790 34 HB3 HIS 5 HB3 HIS 5 17.595 37.182 17.224 35 HD1 HIS 5 HD1 HIS 5 14.156 36.395 18.709 36 HD2 HIS 5 HD2 HIS 5 15.936 38.991 16.006 37 HE1 HIS 5 HE1 HIS 5 12.332 37.950 17.979 38 HE2 HIS 5 HE2 HIS 5 13.492 39.663 16.545 39 H HIS 6 H HIS 6 15.008 33.810 16.049 40 HA HIS 6 HA HIS 6 15.366 34.921 13.389 41 HB2 HIS 6 HB2 HIS 6 15.849 32.752 12.317 42 HB3 HIS 6 HB3 HIS 6 17.117 33.160 13.460 43 HD1 HIS 6 HD1 HIS 6 14.677 30.548 12.621 44 HD2 HIS 6 HD2 HIS 6 17.074 31.545 15.874 45 HE1 HIS 6 HE1 HIS 6 14.720 28.502 14.075 46 HE2 HIS 6 HE2 HIS 6 16.169 29.121 16.047 47 H HIS 7 H HIS 7 13.777 33.811 11.833 48 HA HIS 7 HA HIS 7 11.292 33.038 13.263 49 HB2 HIS 7 HB2 HIS 7 9.965 34.099 11.557 50 HB3 HIS 7 HB3 HIS 7 11.142 35.268 12.117 51 HD1 HIS 7 HD1 HIS 7 9.808 33.764 9.098 52 HD2 HIS 7 HD2 HIS 7 13.341 35.658 10.190 53 HE1 HIS 7 HE1 HIS 7 10.922 34.399 6.938 54 HE2 HIS 7 HE2 HIS 7 12.931 35.752 7.628 55 H HIS 8 H HIS 8 10.475 31.087 12.808 56 HA HIS 8 HA HIS 8 11.620 29.439 10.673 57 HB2 HIS 8 HB2 HIS 8 10.290 27.600 11.670 58 HB3 HIS 8 HB3 HIS 8 11.258 28.427 12.882 59 HD1 HIS 8 HD1 HIS 8 10.021 29.214 14.931 60 HD2 HIS 8 HD2 HIS 8 7.444 28.287 11.806 61 HE1 HIS 8 HE1 HIS 8 7.715 29.304 15.910 62 HE2 HIS 8 HE2 HIS 8 6.162 28.883 13.972 63 H SER 9 H SER 9 9.153 31.675 10.906 64 HA SER 9 HA SER 9 7.180 30.523 9.176 65 HB2 SER 9 HB2 SER 9 6.274 32.909 9.196 66 HB3 SER 9 HB3 SER 9 6.468 32.174 10.787 67 HG SER 9 HG SER 9 7.391 34.459 10.132 68 H HIS 10 H HIS 10 8.813 29.844 7.547 69 HA HIS 10 HA HIS 10 8.733 31.522 5.228 70 HB2 HIS 10 HB2 HIS 10 10.779 32.458 6.378 71 HB3 HIS 10 HB3 HIS 10 11.511 30.861 6.317 72 HD1 HIS 10 HD1 HIS 10 12.613 30.166 4.121 73 HD2 HIS 10 HD2 HIS 10 10.543 33.764 3.812 74 HE1 HIS 10 HE1 HIS 10 13.276 31.137 1.900 75 HE2 HIS 10 HE2 HIS 10 12.002 33.296 1.722 76 H MET 11 H MET 11 7.641 29.853 4.325 77 HA MET 11 HA MET 11 8.961 27.322 3.699 78 HB2 MET 11 HB2 MET 11 7.119 25.983 4.747 79 HB3 MET 11 HB3 MET 11 8.051 26.881 5.936 80 HG2 MET 11 HG2 MET 11 6.277 28.580 6.077 81 HG3 MET 11 HG3 MET 11 5.339 27.713 4.855 82 HE1 MET 11 HE1 MET 11 3.131 26.946 7.967 83 HE2 MET 11 HE2 MET 11 3.179 27.497 6.294 84 HE3 MET 11 HE3 MET 11 3.923 28.474 7.556 85 H GLN 12 H GLN 12 7.716 29.720 2.409 86 HA GLN 12 HA GLN 12 5.177 29.575 1.499 87 HB2 GLN 12 HB2 GLN 12 5.775 31.169 -0.244 88 HB3 GLN 12 HB3 GLN 12 6.595 31.553 1.258 89 HG2 GLN 12 HG2 GLN 12 7.889 30.195 -1.131 90 HG3 GLN 12 HG3 GLN 12 7.999 31.910 -0.763 91 HE21 GLN 12 HE21 GLN 12 10.113 29.898 -1.048 92 HE22 GLN 12 HE22 GLN 12 11.016 29.948 0.425 93 H GLU 13 H GLU 13 4.094 28.064 0.468 94 HA GLU 13 HA GLU 13 4.933 26.913 -2.074 95 HB2 GLU 13 HB2 GLU 13 5.792 25.266 -0.390 96 HB3 GLU 13 HB3 GLU 13 4.181 25.159 0.309 97 HG2 GLU 13 HG2 GLU 13 3.362 24.283 -1.924 98 HG3 GLU 13 HG3 GLU 13 5.047 24.216 -2.437 99 H LEU 14 H LEU 14 3.122 26.399 -3.368 100 HA LEU 14 HA LEU 14 0.519 27.318 -2.332 101 HB2 LEU 14 HB2 LEU 14 1.372 26.877 -5.226 102 HB3 LEU 14 HB3 LEU 14 -0.189 27.473 -4.698 103 HG LEU 14 HG LEU 14 1.110 29.452 -3.649 104 HD11 LEU 14 HD11 LEU 14 3.371 28.519 -3.766 105 HD12 LEU 14 HD12 LEU 14 3.263 30.026 -4.669 106 HD13 LEU 14 HD13 LEU 14 3.288 28.484 -5.532 107 HD21 LEU 14 HD21 LEU 14 0.999 29.201 -6.678 108 HD22 LEU 14 HD22 LEU 14 1.085 30.704 -5.757 109 HD23 LEU 14 HD23 LEU 14 -0.336 29.674 -5.620 110 HA PRO 15 HA PRO 15 -0.762 22.937 -2.336 111 HB2 PRO 15 HB2 PRO 15 -3.431 23.962 -1.507 112 HB3 PRO 15 HB3 PRO 15 -2.293 22.944 -0.604 113 HG2 PRO 15 HG2 PRO 15 -2.745 25.485 0.121 114 HG3 PRO 15 HG3 PRO 15 -1.133 24.743 0.270 115 HD2 PRO 15 HD2 PRO 15 -2.167 26.553 -1.925 116 HD3 PRO 15 HD3 PRO 15 -0.648 26.665 -1.002 117 H ASP 16 H ASP 16 -0.715 22.570 -4.559 118 HA ASP 16 HA ASP 16 -2.592 23.740 -6.393 119 HB2 ASP 16 HB2 ASP 16 -0.270 23.318 -7.082 120 HB3 ASP 16 HB3 ASP 16 -0.458 21.597 -6.776 121 H SER 17 H SER 17 -4.571 23.022 -6.686 122 HA SER 17 HA SER 17 -5.483 20.415 -5.836 123 HB2 SER 17 HB2 SER 17 -7.000 22.650 -7.262 124 HB3 SER 17 HB3 SER 17 -7.723 21.254 -6.463 125 HG SER 17 HG SER 17 -6.644 23.574 -5.395 126 H GLY 18 H GLY 18 -5.756 18.646 -7.156 127 HA2 GLY 18 HA2 GLY 18 -6.493 17.512 -9.081 128 HA3 GLY 18 HA3 GLY 18 -6.259 18.972 -10.024 129 H ALA 19 H ALA 19 -3.920 17.297 -7.902 130 HA ALA 19 HA ALA 19 -2.554 15.941 -10.023 131 HB1 ALA 19 HB1 ALA 19 -1.749 18.213 -10.529 132 HB2 ALA 19 HB2 ALA 19 -0.423 17.196 -9.960 133 HB3 ALA 19 HB3 ALA 19 -1.156 18.382 -8.877 134 H LEU 20 H LEU 20 -1.602 14.179 -9.136 135 HA LEU 20 HA LEU 20 -1.078 14.081 -6.218 136 HB2 LEU 20 HB2 LEU 20 -2.919 12.570 -7.121 137 HB3 LEU 20 HB3 LEU 20 -1.711 11.758 -8.095 138 HG LEU 20 HG LEU 20 -0.510 11.253 -5.841 139 HD11 LEU 20 HD11 LEU 20 -1.760 12.792 -4.423 140 HD12 LEU 20 HD12 LEU 20 -1.931 11.134 -3.862 141 HD13 LEU 20 HD13 LEU 20 -3.255 11.905 -4.740 142 HD21 LEU 20 HD21 LEU 20 -1.603 9.511 -7.189 143 HD22 LEU 20 HD22 LEU 20 -3.151 9.868 -6.417 144 HD23 LEU 20 HD23 LEU 20 -1.812 9.221 -5.465 145 H MET 21 H MET 21 1.109 14.464 -6.036 146 HA MET 21 HA MET 21 2.960 12.698 -7.551 147 HB2 MET 21 HB2 MET 21 3.416 15.112 -7.904 148 HB3 MET 21 HB3 MET 21 3.542 15.363 -6.168 149 HG2 MET 21 HG2 MET 21 5.514 13.851 -6.121 150 HG3 MET 21 HG3 MET 21 5.416 13.709 -7.884 151 HE1 MET 21 HE1 MET 21 8.585 16.050 -7.107 152 HE2 MET 21 HE2 MET 21 8.079 14.586 -7.946 153 HE3 MET 21 HE3 MET 21 7.994 14.657 -6.189 154 H LEU 22 H LEU 22 3.077 10.907 -6.284 155 HA LEU 22 HA LEU 22 3.043 10.981 -3.416 156 HB2 LEU 22 HB2 LEU 22 3.698 8.701 -5.329 157 HB3 LEU 22 HB3 LEU 22 3.367 8.535 -3.607 158 HG LEU 22 HG LEU 22 1.344 9.619 -5.599 159 HD11 LEU 22 HD11 LEU 22 1.891 7.302 -6.191 160 HD12 LEU 22 HD12 LEU 22 0.254 7.434 -5.554 161 HD13 LEU 22 HD13 LEU 22 1.542 6.786 -4.538 162 HD21 LEU 22 HD21 LEU 22 -0.298 9.183 -3.806 163 HD22 LEU 22 HD22 LEU 22 0.926 10.338 -3.293 164 HD23 LEU 22 HD23 LEU 22 1.004 8.667 -2.729 165 H VAL 23 H VAL 23 4.784 11.919 -2.519 166 HA VAL 23 HA VAL 23 7.500 11.051 -3.268 167 HB VAL 23 HB VAL 23 8.338 12.976 -1.977 168 HG11 VAL 23 HG11 VAL 23 7.743 13.407 -4.316 169 HG12 VAL 23 HG12 VAL 23 7.412 14.843 -3.348 170 HG13 VAL 23 HG13 VAL 23 6.084 13.795 -3.857 171 HG21 VAL 23 HG21 VAL 23 5.439 13.640 -1.320 172 HG22 VAL 23 HG22 VAL 23 6.846 14.625 -0.908 173 HG23 VAL 23 HG23 VAL 23 6.640 13.036 -0.176 174 HA PRO 24 HA PRO 24 7.729 8.492 0.494 175 HB2 PRO 24 HB2 PRO 24 10.549 9.527 0.775 176 HB3 PRO 24 HB3 PRO 24 9.960 7.851 0.707 177 HG2 PRO 24 HG2 PRO 24 11.202 8.896 -1.378 178 HG3 PRO 24 HG3 PRO 24 9.777 7.855 -1.614 179 HD2 PRO 24 HD2 PRO 24 9.955 10.865 -1.734 180 HD3 PRO 24 HD3 PRO 24 9.089 9.740 -2.808 181 H ASN 25 H ASN 25 9.368 11.666 0.654 182 HA ASN 25 HA ASN 25 9.360 13.423 2.040 183 HB2 ASN 25 HB2 ASN 25 6.900 13.350 1.467 184 HB3 ASN 25 HB3 ASN 25 6.613 12.461 2.954 185 HD21 ASN 25 HD21 ASN 25 7.420 15.565 1.575 186 HD22 ASN 25 HD22 ASN 25 7.198 16.504 3.010 187 H ARG 26 H ARG 26 7.417 11.606 4.380 188 HA ARG 26 HA ARG 26 9.738 11.412 6.205 189 HB2 ARG 26 HB2 ARG 26 6.762 11.131 6.857 190 HB3 ARG 26 HB3 ARG 26 8.082 11.103 8.020 191 HG2 ARG 26 HG2 ARG 26 7.230 13.464 6.326 192 HG3 ARG 26 HG3 ARG 26 6.912 13.254 8.048 193 HD2 ARG 26 HD2 ARG 26 9.265 13.463 8.571 194 HD3 ARG 26 HD3 ARG 26 9.706 13.411 6.860 195 HE ARG 26 HE ARG 26 7.976 15.570 7.212 196 HH11 ARG 26 HH11 ARG 26 11.235 14.665 8.194 197 HH12 ARG 26 HH12 ARG 26 11.786 16.305 8.294 198 HH21 ARG 26 HH21 ARG 26 8.720 17.689 7.302 199 HH22 ARG 26 HH22 ARG 26 10.351 18.026 7.782 200 H GLN 27 H GLN 27 10.706 9.486 6.052 201 HA GLN 27 HA GLN 27 9.458 7.086 5.090 202 HB2 GLN 27 HB2 GLN 27 12.146 7.554 6.468 203 HB3 GLN 27 HB3 GLN 27 11.643 6.019 5.760 204 HG2 GLN 27 HG2 GLN 27 11.579 6.996 3.539 205 HG3 GLN 27 HG3 GLN 27 11.893 8.603 4.190 206 HE21 GLN 27 HE21 GLN 27 13.741 8.817 2.856 207 HE22 GLN 27 HE22 GLN 27 15.215 7.984 3.196 208 H LEU 28 H LEU 28 7.812 6.360 6.320 209 HA LEU 28 HA LEU 28 7.614 6.672 9.157 210 HB2 LEU 28 HB2 LEU 28 5.880 4.880 7.405 211 HB3 LEU 28 HB3 LEU 28 5.457 5.587 8.958 212 HG LEU 28 HG LEU 28 5.767 7.049 6.309 213 HD11 LEU 28 HD11 LEU 28 3.379 7.547 6.534 214 HD12 LEU 28 HD12 LEU 28 3.315 6.645 8.050 215 HD13 LEU 28 HD13 LEU 28 3.656 5.806 6.536 216 HD21 LEU 28 HD21 LEU 28 5.085 9.103 7.515 217 HD22 LEU 28 HD22 LEU 28 6.647 8.502 8.058 218 HD23 LEU 28 HD23 LEU 28 5.209 8.234 9.047 219 H THR 29 H THR 29 7.737 5.113 10.775 220 HA THR 29 HA THR 29 9.069 2.567 10.249 221 HB THR 29 HB THR 29 9.101 2.338 12.730 222 HG1 THR 29 HG1 THR 29 8.272 4.237 13.926 223 HG21 THR 29 HG21 THR 29 10.508 4.274 13.290 224 HG22 THR 29 HG22 THR 29 9.910 5.136 11.874 225 HG23 THR 29 HG23 THR 29 10.902 3.690 11.670 226 H ALA 30 H ALA 30 8.136 0.564 11.292 227 HA ALA 30 HA ALA 30 5.456 0.004 10.577 228 HB1 ALA 30 HB1 ALA 30 5.804 -2.172 11.691 229 HB2 ALA 30 HB2 ALA 30 7.279 -1.556 12.442 230 HB3 ALA 30 HB3 ALA 30 7.197 -1.741 10.692 231 H ASP 31 H ASP 31 6.956 0.929 13.668 232 HA ASP 31 HA ASP 31 4.739 0.637 15.357 233 HB2 ASP 31 HB2 ASP 31 6.972 2.700 15.527 234 HB3 ASP 31 HB3 ASP 31 5.897 2.246 16.847 235 H TYR 32 H TYR 32 5.867 3.518 13.551 236 HA TYR 32 HA TYR 32 3.778 5.271 14.345 237 HB2 TYR 32 HB2 TYR 32 5.841 6.165 13.321 238 HB3 TYR 32 HB3 TYR 32 5.479 5.349 11.806 239 HD1 TYR 32 HD2 TYR 32 4.462 8.170 14.025 240 HD2 TYR 32 HD1 TYR 32 3.846 6.321 10.217 241 HE1 TYR 32 HE2 TYR 32 3.181 10.120 13.271 242 HE2 TYR 32 HE1 TYR 32 2.554 8.267 9.482 243 HH TYR 32 HH TYR 32 1.261 10.109 10.463 244 H PHE 33 H PHE 33 4.182 3.114 11.581 245 HA PHE 33 HA PHE 33 1.909 3.770 10.100 246 HB2 PHE 33 HB2 PHE 33 3.719 2.231 9.259 247 HB3 PHE 33 HB3 PHE 33 3.127 0.965 10.327 248 HD1 PHE 33 HD1 PHE 33 0.625 0.175 9.973 249 HD2 PHE 33 HD2 PHE 33 2.791 2.457 7.071 250 HE1 PHE 33 HE1 PHE 33 -0.971 -0.502 8.240 251 HE2 PHE 33 HE2 PHE 33 1.193 1.759 5.353 252 HZ PHE 33 HZ PHE 33 -0.696 0.292 5.921 253 H GLU 34 H GLU 34 2.350 1.307 12.648 254 HA GLU 34 HA GLU 34 -0.226 0.185 12.586 255 HB2 GLU 34 HB2 GLU 34 1.765 -0.882 13.626 256 HB3 GLU 34 HB3 GLU 34 1.741 0.322 14.913 257 HG2 GLU 34 HG2 GLU 34 -0.521 -0.522 15.595 258 HG3 GLU 34 HG3 GLU 34 -0.388 -1.777 14.360 259 H LYS 35 H LYS 35 1.131 2.824 14.507 260 HA LYS 35 HA LYS 35 -1.089 3.269 16.217 261 HB2 LYS 35 HB2 LYS 35 1.100 5.211 15.349 262 HB3 LYS 35 HB3 LYS 35 -0.024 5.489 16.682 263 HG2 LYS 35 HG2 LYS 35 0.903 3.548 17.870 264 HG3 LYS 35 HG3 LYS 35 2.001 3.241 16.531 265 HD2 LYS 35 HD2 LYS 35 3.248 4.365 18.257 266 HD3 LYS 35 HD3 LYS 35 3.036 5.507 16.926 267 HE2 LYS 35 HE2 LYS 35 2.660 6.629 19.063 268 HE3 LYS 35 HE3 LYS 35 1.151 6.559 18.156 269 HZ1 LYS 35 HZ1 LYS 35 0.461 4.683 19.514 270 HZ2 LYS 35 HZ2 LYS 35 0.832 6.017 20.485 271 HZ3 LYS 35 HZ3 LYS 35 1.922 4.730 20.366 272 H THR 36 H THR 36 -0.059 4.919 13.245 273 HA THR 36 HA THR 36 -2.247 6.726 13.099 274 HB THR 36 HB THR 36 -0.452 5.862 10.782 275 HG1 THR 36 HG1 THR 36 1.082 6.670 12.002 276 HG21 THR 36 HG21 THR 36 -1.872 8.512 11.315 277 HG22 THR 36 HG22 THR 36 -2.377 7.309 10.129 278 HG23 THR 36 HG23 THR 36 -0.838 8.141 9.928 279 H TRP 37 H TRP 37 -1.665 3.500 11.808 280 HA TRP 37 HA TRP 37 -3.793 3.249 9.974 281 HB2 TRP 37 HB2 TRP 37 -1.884 1.654 10.067 282 HB3 TRP 37 HB3 TRP 37 -2.412 1.085 11.642 283 HD1 TRP 37 HD1 TRP 37 -4.160 -0.885 11.661 284 HE1 TRP 37 HE1 TRP 37 -5.388 -2.223 9.843 285 HE3 TRP 37 HE3 TRP 37 -2.965 1.964 7.582 286 HZ2 TRP 37 HZ2 TRP 37 -5.787 -2.106 7.063 287 HZ3 TRP 37 HZ3 TRP 37 -3.820 1.277 5.374 288 HH2 TRP 37 HH2 TRP 37 -5.212 -0.717 5.129 289 H LEU 38 H LEU 38 -3.521 2.346 13.412 290 HA LEU 38 HA LEU 38 -6.214 1.488 13.715 291 HB2 LEU 38 HB2 LEU 38 -4.177 2.342 15.810 292 HB3 LEU 38 HB3 LEU 38 -5.728 1.593 16.173 293 HG LEU 38 HG LEU 38 -3.441 0.282 14.640 294 HD11 LEU 38 HD11 LEU 38 -3.224 -1.215 16.575 295 HD12 LEU 38 HD12 LEU 38 -4.469 -0.306 17.434 296 HD13 LEU 38 HD13 LEU 38 -2.935 0.465 17.024 297 HD21 LEU 38 HD21 LEU 38 -4.791 -1.797 14.702 298 HD22 LEU 38 HD22 LEU 38 -5.582 -0.535 13.767 299 HD23 LEU 38 HD23 LEU 38 -6.142 -0.897 15.400 300 H SER 39 H SER 39 -4.672 4.616 13.829 301 HA SER 39 HA SER 39 -6.878 5.996 15.093 302 HB2 SER 39 HB2 SER 39 -4.495 7.095 13.558 303 HB3 SER 39 HB3 SER 39 -5.624 8.059 14.517 304 HG SER 39 HG SER 39 -4.275 5.869 15.687 305 H LEU 40 H LEU 40 -6.186 5.052 11.769 306 HA LEU 40 HA LEU 40 -7.928 7.162 10.683 307 HB2 LEU 40 HB2 LEU 40 -6.043 5.242 9.255 308 HB3 LEU 40 HB3 LEU 40 -7.070 6.424 8.447 309 HG LEU 40 HG LEU 40 -4.745 7.014 10.308 310 HD11 LEU 40 HD11 LEU 40 -4.047 6.331 8.077 311 HD12 LEU 40 HD12 LEU 40 -3.694 8.035 8.348 312 HD13 LEU 40 HD13 LEU 40 -5.076 7.568 7.353 313 HD21 LEU 40 HD21 LEU 40 -5.144 9.411 9.875 314 HD22 LEU 40 HD22 LEU 40 -6.480 8.670 10.750 315 HD23 LEU 40 HD23 LEU 40 -6.640 9.010 9.025 316 H LYS 41 H LYS 41 -9.474 6.635 9.076 317 HA LYS 41 HA LYS 41 -10.934 4.125 9.623 318 HB2 LYS 41 HB2 LYS 41 -11.936 6.794 8.515 319 HB3 LYS 41 HB3 LYS 41 -12.940 5.387 8.863 320 HG2 LYS 41 HG2 LYS 41 -11.396 7.041 10.890 321 HG3 LYS 41 HG3 LYS 41 -13.145 7.081 10.628 322 HD2 LYS 41 HD2 LYS 41 -13.306 4.723 11.359 323 HD3 LYS 41 HD3 LYS 41 -11.556 4.659 11.569 324 HE2 LYS 41 HE2 LYS 41 -11.721 6.387 13.345 325 HE3 LYS 41 HE3 LYS 41 -13.479 6.392 13.150 326 HZ1 LYS 41 HZ1 LYS 41 -12.768 4.988 14.994 327 HZ2 LYS 41 HZ2 LYS 41 -11.845 4.037 13.941 328 HZ3 LYS 41 HZ3 LYS 41 -13.529 4.075 13.789 329 H VAL 42 H VAL 42 -11.943 3.053 7.774 330 HA VAL 42 HA VAL 42 -10.143 2.748 5.598 331 HB VAL 42 HB VAL 42 -12.978 1.643 5.834 332 HG11 VAL 42 HG11 VAL 42 -12.161 1.566 3.521 333 HG12 VAL 42 HG12 VAL 42 -12.216 -0.063 4.191 334 HG13 VAL 42 HG13 VAL 42 -10.670 0.780 4.045 335 HG21 VAL 42 HG21 VAL 42 -10.322 0.340 6.607 336 HG22 VAL 42 HG22 VAL 42 -11.914 -0.424 6.691 337 HG23 VAL 42 HG23 VAL 42 -11.542 0.944 7.736 338 H ALA 43 H ALA 43 -9.927 4.039 3.903 339 HA ALA 43 HA ALA 43 -11.971 5.978 3.148 340 HB1 ALA 43 HB1 ALA 43 -10.199 6.897 1.688 341 HB2 ALA 43 HB2 ALA 43 -9.152 5.536 2.099 342 HB3 ALA 43 HB3 ALA 43 -9.621 6.693 3.344 343 H HIS 44 H HIS 44 -10.106 3.332 1.673 344 HA HIS 44 HA HIS 44 -12.491 2.421 0.251 345 HB2 HIS 44 HB2 HIS 44 -11.292 3.879 -1.392 346 HB3 HIS 44 HB3 HIS 44 -9.834 2.923 -1.175 347 HD2 HIS 44 HD2 HIS 44 -9.701 0.594 -2.671 348 HE1 HIS 44 HE1 HIS 44 -13.518 1.019 -4.445 349 HE2 HIS 44 HE2 HIS 44 -11.302 -0.184 -4.560 350 H GLN 45 H GLN 45 -12.466 0.181 -0.142 351 HA GLN 45 HA GLN 45 -10.034 -1.361 0.333 352 HB2 GLN 45 HB2 GLN 45 -11.178 -1.343 2.552 353 HB3 GLN 45 HB3 GLN 45 -12.629 -2.013 1.814 354 HG2 GLN 45 HG2 GLN 45 -11.484 -4.081 1.296 355 HG3 GLN 45 HG3 GLN 45 -9.936 -3.418 1.810 356 HE21 GLN 45 HE21 GLN 45 -12.993 -4.699 2.878 357 HE22 GLN 45 HE22 GLN 45 -12.565 -4.904 4.536 358 H GLN 46 H GLN 46 -9.841 -2.871 -1.161 359 HA GLN 46 HA GLN 46 -12.122 -3.958 -2.624 360 HB2 GLN 46 HB2 GLN 46 -11.477 -1.943 -3.884 361 HB3 GLN 46 HB3 GLN 46 -9.790 -2.444 -3.876 362 HG2 GLN 46 HG2 GLN 46 -10.343 -4.371 -5.300 363 HG3 GLN 46 HG3 GLN 46 -12.042 -3.895 -5.296 364 HE21 GLN 46 HE21 GLN 46 -8.837 -3.053 -6.400 365 HE22 GLN 46 HE22 GLN 46 -9.330 -1.959 -7.636 366 H VAL 47 H VAL 47 -11.725 -6.011 -3.344 367 HA VAL 47 HA VAL 47 -9.106 -7.228 -2.681 368 HB VAL 47 HB VAL 47 -11.796 -8.679 -2.942 369 HG11 VAL 47 HG11 VAL 47 -9.813 -10.108 -3.208 370 HG12 VAL 47 HG12 VAL 47 -10.667 -10.494 -1.717 371 HG13 VAL 47 HG13 VAL 47 -9.174 -9.549 -1.659 372 HG21 VAL 47 HG21 VAL 47 -11.946 -8.695 -0.474 373 HG22 VAL 47 HG22 VAL 47 -11.984 -7.049 -1.100 374 HG23 VAL 47 HG23 VAL 47 -10.508 -7.671 -0.361 375 H LEU 48 H LEU 48 -7.956 -7.997 -4.389 376 HA LEU 48 HA LEU 48 -9.205 -8.307 -7.056 377 HB2 LEU 48 HB2 LEU 48 -6.496 -7.067 -6.392 378 HB3 LEU 48 HB3 LEU 48 -7.016 -7.479 -8.019 379 HG LEU 48 HG LEU 48 -8.347 -5.399 -6.240 380 HD11 LEU 48 HD11 LEU 48 -7.371 -3.720 -7.754 381 HD12 LEU 48 HD12 LEU 48 -6.514 -4.992 -8.630 382 HD13 LEU 48 HD13 LEU 48 -6.115 -4.655 -6.944 383 HD21 LEU 48 HD21 LEU 48 -9.965 -6.420 -7.779 384 HD22 LEU 48 HD22 LEU 48 -8.890 -6.129 -9.148 385 HD23 LEU 48 HD23 LEU 48 -9.612 -4.769 -8.284 386 HA PRO 49 HA PRO 49 -7.090 -12.301 -6.751 387 HB2 PRO 49 HB2 PRO 49 -7.353 -13.185 -9.313 388 HB3 PRO 49 HB3 PRO 49 -8.754 -13.023 -8.235 389 HG2 PRO 49 HG2 PRO 49 -7.836 -11.190 -10.419 390 HG3 PRO 49 HG3 PRO 49 -9.481 -11.727 -10.005 391 HD2 PRO 49 HD2 PRO 49 -8.425 -9.300 -9.241 392 HD3 PRO 49 HD3 PRO 49 -9.732 -10.129 -8.372 393 H TRP 50 H TRP 50 -4.874 -12.381 -6.481 394 HA TRP 50 HA TRP 50 -3.123 -10.884 -8.283 395 HB2 TRP 50 HB2 TRP 50 -2.887 -10.875 -5.708 396 HB3 TRP 50 HB3 TRP 50 -2.219 -12.498 -5.858 397 HD1 TRP 50 HD1 TRP 50 -0.074 -12.405 -7.964 398 HE1 TRP 50 HE1 TRP 50 1.914 -10.806 -7.981 399 HE3 TRP 50 HE3 TRP 50 -1.904 -8.813 -4.872 400 HZ2 TRP 50 HZ2 TRP 50 2.656 -8.371 -6.804 401 HZ3 TRP 50 HZ3 TRP 50 -0.483 -6.883 -4.333 402 HH2 TRP 50 HH2 TRP 50 1.753 -6.664 -5.286 403 H ARG 51 H ARG 51 -1.983 -11.798 -9.861 404 HA ARG 51 HA ARG 51 -2.484 -14.570 -10.559 405 HB2 ARG 51 HB2 ARG 51 -0.969 -12.393 -12.056 406 HB3 ARG 51 HB3 ARG 51 -1.229 -14.015 -12.678 407 HG2 ARG 51 HG2 ARG 51 -2.826 -12.600 -13.734 408 HG3 ARG 51 HG3 ARG 51 -3.717 -13.590 -12.579 409 HD2 ARG 51 HD2 ARG 51 -3.879 -11.727 -11.038 410 HD3 ARG 51 HD3 ARG 51 -2.811 -10.743 -12.041 411 HE ARG 51 HE ARG 51 -5.061 -11.510 -13.559 412 HH11 ARG 51 HH11 ARG 51 -4.285 -9.386 -10.838 413 HH12 ARG 51 HH12 ARG 51 -5.588 -8.297 -11.189 414 HH21 ARG 51 HH21 ARG 51 -6.718 -10.039 -13.999 415 HH22 ARG 51 HH22 ARG 51 -6.962 -8.663 -12.970 416 H GLY 52 H GLY 52 -0.624 -15.901 -11.497 417 HA2 GLY 52 HA2 GLY 52 1.319 -16.449 -9.534 418 HA3 GLY 52 HA3 GLY 52 1.264 -17.135 -11.148 419 H GLU 53 H GLU 53 3.673 -16.867 -10.357 420 HA GLU 53 HA GLU 53 5.735 -16.039 -10.652 421 HB2 GLU 53 HB2 GLU 53 4.489 -14.163 -12.701 422 HB3 GLU 53 HB3 GLU 53 6.208 -14.506 -12.535 423 HG2 GLU 53 HG2 GLU 53 4.071 -16.520 -13.312 424 HG3 GLU 53 HG3 GLU 53 5.158 -15.705 -14.430 425 H PHE 54 H PHE 54 3.786 -14.802 -8.721 426 HA PHE 54 HA PHE 54 4.644 -12.096 -8.310 427 HB2 PHE 54 HB2 PHE 54 2.489 -12.664 -7.421 428 HB3 PHE 54 HB3 PHE 54 3.129 -14.054 -6.552 429 HD1 PHE 54 HD2 PHE 54 4.320 -10.465 -6.647 430 HD2 PHE 54 HD1 PHE 54 2.729 -13.632 -4.267 431 HE1 PHE 54 HE2 PHE 54 4.607 -9.098 -4.630 432 HE2 PHE 54 HE1 PHE 54 3.027 -12.261 -2.254 433 HZ PHE 54 HZ PHE 54 3.965 -9.994 -2.432 434 H HIS 55 H HIS 55 6.531 -11.507 -7.563 435 HA HIS 55 HA HIS 55 7.900 -13.052 -5.452 436 HB2 HIS 55 HB2 HIS 55 9.161 -11.403 -7.694 437 HB3 HIS 55 HB3 HIS 55 10.051 -12.062 -6.322 438 HD1 HIS 55 HD1 HIS 55 10.996 -14.366 -6.646 439 HD2 HIS 55 HD2 HIS 55 8.017 -13.525 -9.425 440 HE1 HIS 55 HE1 HIS 55 11.015 -16.290 -8.257 441 HE2 HIS 55 HE2 HIS 55 9.270 -15.724 -9.985 442 HA PRO 56 HA PRO 56 6.763 -9.189 -3.313 443 HB2 PRO 56 HB2 PRO 56 8.112 -9.718 -0.942 444 HB3 PRO 56 HB3 PRO 56 6.542 -10.429 -1.357 445 HG2 PRO 56 HG2 PRO 56 9.281 -11.621 -1.635 446 HG3 PRO 56 HG3 PRO 56 7.786 -12.351 -0.993 447 HD2 PRO 56 HD2 PRO 56 8.598 -12.875 -3.491 448 HD3 PRO 56 HD3 PRO 56 6.873 -12.689 -3.110 449 H ASP 57 H ASP 57 9.997 -10.406 -3.642 450 HA ASP 57 HA ASP 57 11.609 -8.182 -3.059 451 HB2 ASP 57 HB2 ASP 57 12.061 -10.306 -5.216 452 HB3 ASP 57 HB3 ASP 57 13.309 -9.280 -4.511 453 H THR 58 H THR 58 10.137 -9.244 -6.083 454 HA THR 58 HA THR 58 11.161 -7.161 -7.751 455 HB THR 58 HB THR 58 8.737 -8.940 -8.289 456 HG1 THR 58 HG1 THR 58 11.530 -9.480 -8.567 457 HG21 THR 58 HG21 THR 58 10.747 -7.654 -10.174 458 HG22 THR 58 HG22 THR 58 9.063 -7.167 -9.958 459 HG23 THR 58 HG23 THR 58 9.439 -8.745 -10.651 460 H LEU 59 H LEU 59 8.101 -7.739 -6.083 461 HA LEU 59 HA LEU 59 6.607 -5.511 -6.922 462 HB2 LEU 59 HB2 LEU 59 5.576 -7.383 -5.700 463 HB3 LEU 59 HB3 LEU 59 6.528 -7.009 -4.270 464 HG LEU 59 HG LEU 59 5.319 -4.816 -4.079 465 HD11 LEU 59 HD11 LEU 59 3.222 -4.443 -5.333 466 HD12 LEU 59 HD12 LEU 59 3.554 -5.869 -6.317 467 HD13 LEU 59 HD13 LEU 59 4.624 -4.469 -6.399 468 HD21 LEU 59 HD21 LEU 59 4.608 -6.727 -2.728 469 HD22 LEU 59 HD22 LEU 59 3.537 -7.273 -4.021 470 HD23 LEU 59 HD23 LEU 59 3.220 -5.748 -3.189 471 H GLN 60 H GLN 60 8.822 -5.929 -4.199 472 HA GLN 60 HA GLN 60 8.422 -3.456 -2.914 473 HB2 GLN 60 HB2 GLN 60 9.455 -5.442 -1.825 474 HB3 GLN 60 HB3 GLN 60 10.873 -5.254 -2.857 475 HG2 GLN 60 HG2 GLN 60 11.408 -3.128 -1.822 476 HG3 GLN 60 HG3 GLN 60 9.930 -3.175 -0.860 477 HE21 GLN 60 HE21 GLN 60 9.784 -4.662 0.856 478 HE22 GLN 60 HE22 GLN 60 11.179 -5.397 1.558 479 H MET 61 H MET 61 10.901 -4.540 -5.233 480 HA MET 61 HA MET 61 12.362 -2.129 -5.353 481 HB2 MET 61 HB2 MET 61 12.143 -4.412 -7.345 482 HB3 MET 61 HB3 MET 61 13.267 -3.070 -7.537 483 HG2 MET 61 HG2 MET 61 14.319 -3.696 -5.367 484 HG3 MET 61 HG3 MET 61 13.254 -5.102 -5.292 485 HE1 MET 61 HE1 MET 61 13.190 -5.969 -8.432 486 HE2 MET 61 HE2 MET 61 13.353 -7.123 -7.108 487 HE3 MET 61 HE3 MET 61 14.496 -7.153 -8.452 488 H ALA 62 H ALA 62 9.540 -3.274 -7.147 489 HA ALA 62 HA ALA 62 9.483 -1.186 -9.102 490 HB1 ALA 62 HB1 ALA 62 8.339 -3.328 -9.464 491 HB2 ALA 62 HB2 ALA 62 7.199 -1.988 -9.580 492 HB3 ALA 62 HB3 ALA 62 7.243 -2.985 -8.122 493 H LEU 63 H LEU 63 8.006 -1.629 -5.911 494 HA LEU 63 HA LEU 63 6.408 0.667 -5.715 495 HB2 LEU 63 HB2 LEU 63 7.920 -0.858 -3.562 496 HB3 LEU 63 HB3 LEU 63 6.760 0.415 -3.206 497 HG LEU 63 HG LEU 63 6.011 -2.100 -4.739 498 HD11 LEU 63 HD11 LEU 63 5.741 -1.632 -1.757 499 HD12 LEU 63 HD12 LEU 63 6.814 -2.791 -2.542 500 HD13 LEU 63 HD13 LEU 63 5.070 -2.999 -2.657 501 HD21 LEU 63 HD21 LEU 63 3.700 -1.486 -4.143 502 HD22 LEU 63 HD22 LEU 63 4.480 -0.211 -5.074 503 HD23 LEU 63 HD23 LEU 63 4.290 -0.032 -3.328 504 H GLN 64 H GLN 64 9.828 0.168 -4.859 505 HA GLN 64 HA GLN 64 10.488 2.744 -4.040 506 HB2 GLN 64 HB2 GLN 64 12.220 0.685 -5.455 507 HB3 GLN 64 HB3 GLN 64 12.845 2.110 -4.624 508 HG2 GLN 64 HG2 GLN 64 12.033 1.292 -2.493 509 HG3 GLN 64 HG3 GLN 64 11.236 -0.075 -3.275 510 HE21 GLN 64 HE21 GLN 64 14.321 1.301 -2.372 511 HE22 GLN 64 HE22 GLN 64 15.248 -0.147 -2.520 512 H VAL 65 H VAL 65 10.306 1.449 -7.397 513 HA VAL 65 HA VAL 65 11.514 3.663 -8.716 514 HB VAL 65 HB VAL 65 9.434 1.699 -9.800 515 HG11 VAL 65 HG11 VAL 65 11.380 3.458 -11.351 516 HG12 VAL 65 HG12 VAL 65 9.629 3.649 -11.277 517 HG13 VAL 65 HG13 VAL 65 10.318 2.228 -12.053 518 HG21 VAL 65 HG21 VAL 65 11.389 0.516 -8.917 519 HG22 VAL 65 HG22 VAL 65 12.466 1.496 -9.913 520 HG23 VAL 65 HG23 VAL 65 11.321 0.388 -10.673 521 H VAL 66 H VAL 66 8.287 3.079 -7.482 522 HA VAL 66 HA VAL 66 7.270 5.607 -8.641 523 HB VAL 66 HB VAL 66 5.020 4.732 -8.300 524 HG11 VAL 66 HG11 VAL 66 6.130 4.110 -10.407 525 HG12 VAL 66 HG12 VAL 66 5.027 2.835 -9.891 526 HG13 VAL 66 HG13 VAL 66 6.769 2.640 -9.664 527 HG21 VAL 66 HG21 VAL 66 4.559 2.521 -7.402 528 HG22 VAL 66 HG22 VAL 66 5.457 3.456 -6.214 529 HG23 VAL 66 HG23 VAL 66 6.280 2.211 -7.155 530 H ASN 67 H ASN 67 8.919 4.912 -6.050 531 HA ASN 67 HA ASN 67 9.293 5.943 -4.084 532 HB2 ASN 67 HB2 ASN 67 7.460 7.992 -5.358 533 HB3 ASN 67 HB3 ASN 67 8.232 8.274 -3.803 534 HD21 ASN 67 HD21 ASN 67 10.753 7.024 -4.408 535 HD22 ASN 67 HD22 ASN 67 11.565 8.032 -5.544 536 H ILE 68 H ILE 68 7.072 3.999 -4.179 537 HA ILE 68 HA ILE 68 5.473 4.771 -1.838 538 HB ILE 68 HB ILE 68 5.445 2.130 -3.397 539 HG12 ILE 68 HG12 ILE 68 4.660 4.008 -4.809 540 HG13 ILE 68 HG13 ILE 68 3.353 2.890 -4.443 541 HG21 ILE 68 HG21 ILE 68 4.673 1.838 -1.088 542 HG22 ILE 68 HG22 ILE 68 3.316 1.670 -2.199 543 HG23 ILE 68 HG23 ILE 68 3.517 3.159 -1.270 544 HD11 ILE 68 HD11 ILE 68 2.568 5.160 -4.349 545 HD12 ILE 68 HD12 ILE 68 3.818 5.591 -3.184 546 HD13 ILE 68 HD13 ILE 68 2.536 4.467 -2.730 547 H GLN 69 H GLN 69 6.381 4.406 0.090 548 HA GLN 69 HA GLN 69 8.729 2.793 0.477 549 HB2 GLN 69 HB2 GLN 69 8.321 4.851 1.792 550 HB3 GLN 69 HB3 GLN 69 6.856 4.143 2.470 551 HG2 GLN 69 HG2 GLN 69 8.223 2.389 3.556 552 HG3 GLN 69 HG3 GLN 69 9.683 3.146 2.917 553 HE21 GLN 69 HE21 GLN 69 10.492 3.461 5.011 554 HE22 GLN 69 HE22 GLN 69 9.852 4.656 6.081 555 H THR 70 H THR 70 8.849 0.701 1.180 556 HA THR 70 HA THR 70 6.418 -0.815 1.788 557 HB THR 70 HB THR 70 9.303 -1.809 1.556 558 HG1 THR 70 HG1 THR 70 8.379 -0.940 -0.424 559 HG21 THR 70 HG21 THR 70 8.255 -4.040 1.319 560 HG22 THR 70 HG22 THR 70 6.660 -3.324 1.567 561 HG23 THR 70 HG23 THR 70 7.846 -3.314 2.874 562 H ILE 71 H ILE 71 5.775 -0.697 3.843 563 HA ILE 71 HA ILE 71 7.516 0.094 6.010 564 HB ILE 71 HB ILE 71 4.574 -0.713 5.982 565 HG12 ILE 71 HG12 ILE 71 5.097 1.336 4.650 566 HG13 ILE 71 HG13 ILE 71 4.063 1.670 6.027 567 HG21 ILE 71 HG21 ILE 71 6.143 0.610 8.225 568 HG22 ILE 71 HG22 ILE 71 5.519 -1.042 8.218 569 HG23 ILE 71 HG23 ILE 71 4.401 0.317 8.207 570 HD11 ILE 71 HD11 ILE 71 7.016 2.244 5.845 571 HD12 ILE 71 HD12 ILE 71 6.003 2.552 7.257 572 HD13 ILE 71 HD13 ILE 71 5.704 3.417 5.750 573 H ALA 72 H ALA 72 5.379 -2.676 5.337 574 HA ALA 72 HA ALA 72 7.182 -4.482 6.804 575 HB1 ALA 72 HB1 ALA 72 5.219 -5.537 7.892 576 HB2 ALA 72 HB2 ALA 72 4.165 -4.317 7.171 577 HB3 ALA 72 HB3 ALA 72 5.381 -3.841 8.355 578 H MET 73 H MET 73 6.951 -6.679 6.177 579 HA MET 73 HA MET 73 5.305 -7.480 3.951 580 HB2 MET 73 HB2 MET 73 7.104 -6.357 2.702 581 HB3 MET 73 HB3 MET 73 8.335 -7.204 3.621 582 HG2 MET 73 HG2 MET 73 7.708 -9.312 2.581 583 HG3 MET 73 HG3 MET 73 6.389 -8.526 1.723 584 HE1 MET 73 HE1 MET 73 7.608 -5.793 0.715 585 HE2 MET 73 HE2 MET 73 6.690 -6.890 -0.319 586 HE3 MET 73 HE3 MET 73 8.249 -6.269 -0.857 587 H SER 74 H SER 74 4.794 -9.600 4.328 588 HA SER 74 HA SER 74 6.103 -11.244 6.245 589 HB2 SER 74 HB2 SER 74 4.138 -11.974 4.034 590 HB3 SER 74 HB3 SER 74 4.660 -13.084 5.303 591 HG SER 74 HG SER 74 3.672 -10.590 6.066 592 H ARG 75 H ARG 75 7.085 -13.359 5.756 593 HA ARG 75 HA ARG 75 9.393 -13.046 4.156 594 HB2 ARG 75 HB2 ARG 75 9.149 -14.420 6.316 595 HB3 ARG 75 HB3 ARG 75 8.319 -15.641 5.364 596 HG2 ARG 75 HG2 ARG 75 10.674 -16.231 5.741 597 HG3 ARG 75 HG3 ARG 75 10.338 -16.009 4.020 598 HD2 ARG 75 HD2 ARG 75 12.504 -14.984 4.805 599 HD3 ARG 75 HD3 ARG 75 11.412 -13.846 4.008 600 HE ARG 75 HE ARG 75 11.438 -14.036 6.957 601 HH11 ARG 75 HH11 ARG 75 12.099 -12.114 4.093 602 HH12 ARG 75 HH12 ARG 75 12.283 -10.642 4.983 603 HH21 ARG 75 HH21 ARG 75 11.686 -12.096 8.120 604 HH22 ARG 75 HH22 ARG 75 12.048 -10.629 7.268 605 H ALA 76 H ALA 76 9.906 -13.882 2.146 606 HA ALA 76 HA ALA 76 7.922 -14.432 0.235 607 HB1 ALA 76 HB1 ALA 76 10.905 -15.026 0.116 608 HB2 ALA 76 HB2 ALA 76 10.132 -13.505 -0.331 609 HB3 ALA 76 HB3 ALA 76 9.805 -14.964 -1.267 610 H GLY 77 H GLY 77 6.931 -16.328 -0.367 611 HA2 GLY 77 HA2 GLY 77 6.605 -18.611 -0.616 612 HA3 GLY 77 HA3 GLY 77 7.973 -18.948 0.436 613 H SER 78 H SER 78 6.688 -16.899 2.396 614 HA SER 78 HA SER 78 4.988 -18.814 3.813 615 HB2 SER 78 HB2 SER 78 6.771 -17.630 5.066 616 HB3 SER 78 HB3 SER 78 6.007 -16.084 4.703 617 HG SER 78 HG SER 78 4.563 -16.443 6.201 618 H ARG 79 H ARG 79 2.849 -18.784 3.520 619 HA ARG 79 HA ARG 79 1.417 -16.224 3.137 620 HB2 ARG 79 HB2 ARG 79 0.978 -18.908 1.839 621 HB3 ARG 79 HB3 ARG 79 -0.437 -17.937 2.196 622 HG2 ARG 79 HG2 ARG 79 0.154 -17.537 -0.083 623 HG3 ARG 79 HG3 ARG 79 0.537 -16.078 0.829 624 HD2 ARG 79 HD2 ARG 79 2.298 -16.588 -0.816 625 HD3 ARG 79 HD3 ARG 79 2.922 -16.687 0.832 626 HE ARG 79 HE ARG 79 2.467 -19.208 0.537 627 HH11 ARG 79 HH11 ARG 79 3.628 -17.118 -2.038 628 HH12 ARG 79 HH12 ARG 79 4.442 -18.400 -2.871 629 HH21 ARG 79 HH21 ARG 79 3.537 -20.866 -0.540 630 HH22 ARG 79 HH22 ARG 79 4.386 -20.537 -2.017 631 HA PRO 80 HA PRO 80 -1.214 -15.820 3.214 632 HB2 PRO 80 HB2 PRO 80 -2.045 -14.266 5.630 633 HB3 PRO 80 HB3 PRO 80 -3.038 -14.946 4.322 634 HG2 PRO 80 HG2 PRO 80 -3.072 -16.022 6.764 635 HG3 PRO 80 HG3 PRO 80 -3.172 -17.029 5.302 636 HD2 PRO 80 HD2 PRO 80 -0.769 -16.494 7.051 637 HD3 PRO 80 HD3 PRO 80 -1.377 -18.039 6.403 638 H TRP 81 H TRP 81 0.118 -14.493 2.187 639 HA TRP 81 HA TRP 81 2.335 -13.181 3.500 640 HB2 TRP 81 HB2 TRP 81 2.586 -14.154 1.218 641 HB3 TRP 81 HB3 TRP 81 1.405 -13.008 0.590 642 HD1 TRP 81 HD1 TRP 81 5.065 -13.207 1.771 643 HE1 TRP 81 HE1 TRP 81 6.287 -11.053 1.088 644 HE3 TRP 81 HE3 TRP 81 1.081 -10.503 0.031 645 HZ2 TRP 81 HZ2 TRP 81 5.656 -8.557 -0.062 646 HZ3 TRP 81 HZ3 TRP 81 1.483 -8.238 -0.843 647 HH2 TRP 81 HH2 TRP 81 3.729 -7.285 -0.884 648 H LYS 82 H LYS 82 1.919 -11.422 4.672 649 HA LYS 82 HA LYS 82 -0.143 -9.476 3.835 650 HB2 LYS 82 HB2 LYS 82 -0.546 -10.827 5.946 651 HB3 LYS 82 HB3 LYS 82 0.884 -10.079 6.644 652 HG2 LYS 82 HG2 LYS 82 -0.200 -7.865 6.494 653 HG3 LYS 82 HG3 LYS 82 -1.631 -8.618 5.772 654 HD2 LYS 82 HD2 LYS 82 -1.908 -9.995 7.851 655 HD3 LYS 82 HD3 LYS 82 -0.537 -9.142 8.570 656 HE2 LYS 82 HE2 LYS 82 -1.802 -7.005 8.368 657 HE3 LYS 82 HE3 LYS 82 -3.169 -7.894 7.697 658 HZ1 LYS 82 HZ1 LYS 82 -2.031 -8.218 10.425 659 HZ2 LYS 82 HZ2 LYS 82 -3.283 -9.156 9.787 660 HZ3 LYS 82 HZ3 LYS 82 -3.510 -7.496 10.029 661 H ALA 83 H ALA 83 0.461 -7.267 3.919 662 HA ALA 83 HA ALA 83 3.191 -6.507 4.546 663 HB1 ALA 83 HB1 ALA 83 3.663 -5.649 2.267 664 HB2 ALA 83 HB2 ALA 83 2.149 -6.350 1.684 665 HB3 ALA 83 HB3 ALA 83 3.445 -7.402 2.262 666 H TYR 84 H TYR 84 3.418 -4.266 4.670 667 HA TYR 84 HA TYR 84 1.007 -2.584 4.357 668 HB2 TYR 84 HB2 TYR 84 3.068 -2.622 6.595 669 HB3 TYR 84 HB3 TYR 84 1.940 -1.288 6.361 670 HD1 TYR 84 HD1 TYR 84 -0.631 -2.221 5.973 671 HD2 TYR 84 HD2 TYR 84 2.382 -4.168 8.300 672 HE1 TYR 84 HE1 TYR 84 -2.364 -3.317 7.305 673 HE2 TYR 84 HE2 TYR 84 0.624 -5.263 9.630 674 HH TYR 84 HH TYR 84 -2.702 -5.152 8.737 675 H LEU 85 H LEU 85 1.279 -0.732 3.255 676 HA LEU 85 HA LEU 85 3.984 0.154 2.428 677 HB2 LEU 85 HB2 LEU 85 1.445 0.254 0.736 678 HB3 LEU 85 HB3 LEU 85 3.069 0.702 0.228 679 HG LEU 85 HG LEU 85 2.096 -2.109 0.853 680 HD11 LEU 85 HD11 LEU 85 1.215 -1.286 -1.269 681 HD12 LEU 85 HD12 LEU 85 2.426 -2.533 -1.557 682 HD13 LEU 85 HD13 LEU 85 2.838 -0.834 -1.800 683 HD21 LEU 85 HD21 LEU 85 4.317 -2.885 0.061 684 HD22 LEU 85 HD22 LEU 85 4.441 -1.917 1.525 685 HD23 LEU 85 HD23 LEU 85 4.864 -1.208 -0.035 686 H SER 86 H SER 86 4.207 2.458 2.072 687 HA SER 86 HA SER 86 1.949 4.187 2.816 688 HB2 SER 86 HB2 SER 86 4.720 4.327 4.072 689 HB3 SER 86 HB3 SER 86 3.508 5.604 4.217 690 HG SER 86 HG SER 86 2.209 3.509 4.900 691 H ALA 87 H ALA 87 2.019 6.244 2.030 692 HA ALA 87 HA ALA 87 4.337 7.294 0.613 693 HB1 ALA 87 HB1 ALA 87 3.050 7.872 -1.428 694 HB2 ALA 87 HB2 ALA 87 1.657 6.981 -0.805 695 HB3 ALA 87 HB3 ALA 87 3.145 6.123 -1.200 696 H GLN 88 H GLN 88 3.977 9.597 0.121 697 HA GLN 88 HA GLN 88 1.753 10.947 1.532 698 HB2 GLN 88 HB2 GLN 88 4.716 11.672 1.871 699 HB3 GLN 88 HB3 GLN 88 3.362 12.616 2.492 700 HG2 GLN 88 HG2 GLN 88 2.729 10.771 3.966 701 HG3 GLN 88 HG3 GLN 88 4.041 9.784 3.328 702 HE21 GLN 88 HE21 GLN 88 4.295 13.221 4.125 703 HE22 GLN 88 HE22 GLN 88 5.390 13.013 5.439 704 H ASP 89 H ASP 89 0.859 12.219 -0.109 705 HA ASP 89 HA ASP 89 2.468 12.679 -2.475 706 HB2 ASP 89 HB2 ASP 89 0.513 13.140 -3.627 707 HB3 ASP 89 HB3 ASP 89 -0.081 12.077 -2.365 708 H ASP 90 H ASP 90 2.118 14.987 -3.502 709 HA ASP 90 HA ASP 90 3.806 16.732 -2.061 710 HB2 ASP 90 HB2 ASP 90 3.553 18.257 -3.942 711 HB3 ASP 90 HB3 ASP 90 3.692 16.604 -4.532 712 H THR 91 H THR 91 0.346 16.468 -1.955 713 HA THR 91 HA THR 91 -0.027 19.176 -0.841 714 HB THR 91 HB THR 91 -2.384 18.858 -0.924 715 HG1 THR 91 HG1 THR 91 -1.931 16.087 -1.465 716 HG21 THR 91 HG21 THR 91 -1.415 19.262 -3.130 717 HG22 THR 91 HG22 THR 91 -2.819 18.205 -3.273 718 HG23 THR 91 HG23 THR 91 -1.191 17.532 -3.388 719 H GLY 92 H GLY 92 0.605 15.998 0.221 720 HA2 GLY 92 HA2 GLY 92 1.508 15.597 2.347 721 HA3 GLY 92 HA3 GLY 92 0.578 16.930 2.995 722 H CYS 93 H CYS 93 -1.241 14.688 1.076 723 HA CYS 93 HA CYS 93 -2.705 13.698 3.321 724 HB2 CYS 93 HB2 CYS 93 -2.672 12.592 0.489 725 HB3 CYS 93 HB3 CYS 93 -3.897 12.274 1.716 726 HG CYS 93 HG CYS 93 -3.406 15.073 -0.153 727 H LEU 94 H LEU 94 -2.178 12.025 4.648 728 HA LEU 94 HA LEU 94 0.288 10.515 4.184 729 HB2 LEU 94 HB2 LEU 94 -0.457 11.631 6.408 730 HB3 LEU 94 HB3 LEU 94 -1.631 10.345 6.558 731 HG LEU 94 HG LEU 94 0.446 10.062 7.960 732 HD11 LEU 94 HD11 LEU 94 0.769 7.687 7.535 733 HD12 LEU 94 HD12 LEU 94 0.007 7.844 5.946 734 HD13 LEU 94 HD13 LEU 94 -0.938 8.111 7.417 735 HD21 LEU 94 HD21 LEU 94 1.840 9.542 5.323 736 HD22 LEU 94 HD22 LEU 94 2.529 9.374 6.940 737 HD23 LEU 94 HD23 LEU 94 2.071 10.965 6.345 738 H PHE 95 H PHE 95 0.135 8.669 3.005 739 HA PHE 95 HA PHE 95 -2.448 7.246 2.754 740 HB2 PHE 95 HB2 PHE 95 0.048 7.103 1.000 741 HB3 PHE 95 HB3 PHE 95 -1.416 6.156 0.740 742 HD1 PHE 95 HD1 PHE 95 -3.493 7.252 -0.067 743 HD2 PHE 95 HD2 PHE 95 0.129 9.465 0.409 744 HE1 PHE 95 HE1 PHE 95 -4.420 9.060 -1.449 745 HE2 PHE 95 HE2 PHE 95 -0.799 11.263 -0.980 746 HZ PHE 95 HZ PHE 95 -3.071 11.071 -1.911 747 H LEU 96 H LEU 96 -2.694 5.359 3.762 748 HA LEU 96 HA LEU 96 -0.351 3.612 4.306 749 HB2 LEU 96 HB2 LEU 96 -2.924 3.831 5.941 750 HB3 LEU 96 HB3 LEU 96 -1.554 2.788 6.296 751 HG LEU 96 HG LEU 96 -1.523 5.824 6.386 752 HD11 LEU 96 HD11 LEU 96 -1.387 5.619 8.804 753 HD12 LEU 96 HD12 LEU 96 -1.499 3.858 8.693 754 HD13 LEU 96 HD13 LEU 96 -2.864 4.869 8.203 755 HD21 LEU 96 HD21 LEU 96 0.685 4.944 5.780 756 HD22 LEU 96 HD22 LEU 96 0.656 3.875 7.181 757 HD23 LEU 96 HD23 LEU 96 0.700 5.620 7.407 758 H THR 97 H THR 97 -0.520 1.645 3.324 759 HA THR 97 HA THR 97 -3.156 0.674 2.392 760 HB THR 97 HB THR 97 -0.492 0.367 0.913 761 HG1 THR 97 HG1 THR 97 -2.471 2.326 0.877 762 HG21 THR 97 HG21 THR 97 -1.894 -0.403 -0.996 763 HG22 THR 97 HG22 THR 97 -3.345 -0.277 0.003 764 HG23 THR 97 HG23 THR 97 -2.101 -1.467 0.396 765 H GLU 98 H GLU 98 -3.547 -1.483 2.579 766 HA GLU 98 HA GLU 98 -1.530 -3.244 3.835 767 HB2 GLU 98 HB2 GLU 98 -3.438 -2.781 5.320 768 HB3 GLU 98 HB3 GLU 98 -4.575 -3.249 4.061 769 HG2 GLU 98 HG2 GLU 98 -3.726 -5.568 4.164 770 HG3 GLU 98 HG3 GLU 98 -2.596 -5.092 5.436 771 H LEU 99 H LEU 99 -1.150 -5.128 2.862 772 HA LEU 99 HA LEU 99 -2.776 -6.068 0.589 773 HB2 LEU 99 HB2 LEU 99 0.244 -6.325 0.973 774 HB3 LEU 99 HB3 LEU 99 -0.680 -7.058 -0.328 775 HG LEU 99 HG LEU 99 -0.259 -4.068 0.088 776 HD11 LEU 99 HD11 LEU 99 0.846 -5.927 -2.053 777 HD12 LEU 99 HD12 LEU 99 1.764 -5.219 -0.722 778 HD13 LEU 99 HD13 LEU 99 1.090 -4.179 -1.973 779 HD21 LEU 99 HD21 LEU 99 -1.411 -3.758 -2.085 780 HD22 LEU 99 HD22 LEU 99 -2.492 -4.469 -0.892 781 HD23 LEU 99 HD23 LEU 99 -1.777 -5.485 -2.148 782 H LEU 100 H LEU 100 -3.592 -8.091 0.926 783 HA LEU 100 HA LEU 100 -2.228 -9.924 2.812 784 HB2 LEU 100 HB2 LEU 100 -4.372 -8.639 3.709 785 HB3 LEU 100 HB3 LEU 100 -5.265 -9.789 2.733 786 HG LEU 100 HG LEU 100 -3.415 -10.448 5.069 787 HD11 LEU 100 HD11 LEU 100 -6.433 -10.620 4.837 788 HD12 LEU 100 HD12 LEU 100 -5.514 -9.461 5.798 789 HD13 LEU 100 HD13 LEU 100 -5.475 -11.170 6.216 790 HD21 LEU 100 HD21 LEU 100 -3.279 -12.274 3.435 791 HD22 LEU 100 HD22 LEU 100 -5.039 -12.394 3.387 792 HD23 LEU 100 HD23 LEU 100 -4.163 -12.794 4.868 793 H LEU 101 H LEU 101 -1.656 -11.673 1.629 794 HA LEU 101 HA LEU 101 -3.235 -12.455 -0.736 795 HB2 LEU 101 HB2 LEU 101 -0.843 -11.849 -1.168 796 HB3 LEU 101 HB3 LEU 101 -0.334 -13.099 -0.044 797 HG LEU 101 HG LEU 101 -1.362 -14.819 -1.548 798 HD11 LEU 101 HD11 LEU 101 -3.063 -13.451 -2.666 799 HD12 LEU 101 HD12 LEU 101 -2.012 -14.223 -3.847 800 HD13 LEU 101 HD13 LEU 101 -1.805 -12.510 -3.475 801 HD21 LEU 101 HD21 LEU 101 0.729 -13.057 -2.888 802 HD22 LEU 101 HD22 LEU 101 0.392 -14.748 -3.274 803 HD23 LEU 101 HD23 LEU 101 1.047 -14.326 -1.695 804 H GLU 102 H GLU 102 -4.406 -14.227 -0.463 805 HA GLU 102 HA GLU 102 -4.489 -15.753 1.914 806 HB2 GLU 102 HB2 GLU 102 -5.733 -16.186 -0.827 807 HB3 GLU 102 HB3 GLU 102 -6.122 -17.179 0.575 808 HG2 GLU 102 HG2 GLU 102 -6.539 -14.183 0.396 809 HG3 GLU 102 HG3 GLU 102 -7.786 -15.396 0.099 810 HA PRO 103 HA PRO 103 -1.579 -19.114 1.311 811 HB2 PRO 103 HB2 PRO 103 -3.711 -20.991 2.317 812 HB3 PRO 103 HB3 PRO 103 -2.085 -20.680 2.959 813 HG2 PRO 103 HG2 PRO 103 -4.240 -19.761 4.215 814 HG3 PRO 103 HG3 PRO 103 -2.746 -18.796 4.131 815 HD2 PRO 103 HD2 PRO 103 -5.276 -18.504 2.526 816 HD3 PRO 103 HD3 PRO 103 -4.245 -17.247 3.247 817 H GLY 104 H GLY 104 -4.783 -20.568 0.674 818 HA2 GLY 104 HA2 GLY 104 -3.762 -22.114 -1.571 819 HA3 GLY 104 HA3 GLY 104 -5.380 -22.177 -0.885 820 H ASN 105 H ASN 105 -6.017 -19.463 -1.041 821 HA ASN 105 HA ASN 105 -6.825 -19.260 -3.810 822 HB2 ASN 105 HB2 ASN 105 -7.301 -17.350 -1.488 823 HB3 ASN 105 HB3 ASN 105 -8.048 -17.220 -3.075 824 HD21 ASN 105 HD21 ASN 105 -9.253 -17.582 -0.396 825 HD22 ASN 105 HD22 ASN 105 -10.231 -19.002 -0.517 826 H SER 106 H SER 106 -5.871 -18.042 -5.349 827 HA SER 106 HA SER 106 -3.493 -16.450 -4.765 828 HB2 SER 106 HB2 SER 106 -3.390 -16.314 -7.317 829 HB3 SER 106 HB3 SER 106 -3.319 -17.950 -6.661 830 HG SER 106 HG SER 106 -5.327 -18.346 -7.361 831 H GLU 107 H GLU 107 -5.214 -15.174 -3.454 832 HA GLU 107 HA GLU 107 -6.414 -13.000 -5.057 833 HB2 GLU 107 HB2 GLU 107 -8.120 -14.695 -4.369 834 HB3 GLU 107 HB3 GLU 107 -7.659 -14.462 -2.684 835 HG2 GLU 107 HG2 GLU 107 -8.336 -12.026 -2.954 836 HG3 GLU 107 HG3 GLU 107 -8.999 -12.467 -4.529 837 H MET 108 H MET 108 -6.034 -11.050 -4.268 838 HA MET 108 HA MET 108 -4.561 -10.693 -1.737 839 HB2 MET 108 HB2 MET 108 -3.154 -10.148 -3.648 840 HB3 MET 108 HB3 MET 108 -4.421 -9.171 -4.378 841 HG2 MET 108 HG2 MET 108 -2.708 -7.755 -3.439 842 HG3 MET 108 HG3 MET 108 -4.210 -7.539 -2.547 843 HE1 MET 108 HE1 MET 108 -0.411 -9.618 -0.981 844 HE2 MET 108 HE2 MET 108 -0.500 -8.654 -2.458 845 HE3 MET 108 HE3 MET 108 -1.284 -10.236 -2.384 846 H GLN 109 H GLN 109 -5.461 -9.313 -0.247 847 HA GLN 109 HA GLN 109 -7.835 -7.719 -0.966 848 HB2 GLN 109 HB2 GLN 109 -8.116 -9.293 0.912 849 HB3 GLN 109 HB3 GLN 109 -6.729 -8.589 1.742 850 HG2 GLN 109 HG2 GLN 109 -7.981 -6.412 1.872 851 HG3 GLN 109 HG3 GLN 109 -9.380 -7.217 1.165 852 HE21 GLN 109 HE21 GLN 109 -7.250 -8.786 3.512 853 HE22 GLN 109 HE22 GLN 109 -8.392 -8.819 4.802 854 H ILE 110 H ILE 110 -7.565 -5.595 -1.182 855 HA ILE 110 HA ILE 110 -5.123 -4.271 -0.166 856 HB ILE 110 HB ILE 110 -6.921 -3.294 -2.464 857 HG12 ILE 110 HG12 ILE 110 -4.757 -3.822 -3.888 858 HG13 ILE 110 HG13 ILE 110 -4.308 -4.880 -2.558 859 HG21 ILE 110 HG21 ILE 110 -5.124 -1.649 -2.898 860 HG22 ILE 110 HG22 ILE 110 -4.227 -2.252 -1.500 861 HG23 ILE 110 HG23 ILE 110 -5.793 -1.472 -1.277 862 HD11 ILE 110 HD11 ILE 110 -5.340 -6.101 -4.394 863 HD12 ILE 110 HD12 ILE 110 -6.805 -5.132 -4.246 864 HD13 ILE 110 HD13 ILE 110 -6.326 -6.215 -2.938 865 H SER 111 H SER 111 -5.545 -3.106 1.643 866 HA SER 111 HA SER 111 -8.166 -1.726 1.938 867 HB2 SER 111 HB2 SER 111 -7.700 -3.484 3.673 868 HB3 SER 111 HB3 SER 111 -6.259 -2.591 4.161 869 HG SER 111 HG SER 111 -8.932 -2.074 4.638 870 H VAL 112 H VAL 112 -7.866 0.335 1.295 871 HA VAL 112 HA VAL 112 -5.315 1.738 1.799 872 HB VAL 112 HB VAL 112 -7.594 2.566 -0.080 873 HG11 VAL 112 HG11 VAL 112 -4.762 3.662 0.185 874 HG12 VAL 112 HG12 VAL 112 -6.251 4.472 0.678 875 HG13 VAL 112 HG13 VAL 112 -5.949 4.158 -1.029 876 HG21 VAL 112 HG21 VAL 112 -6.579 0.469 -0.877 877 HG22 VAL 112 HG22 VAL 112 -4.969 1.186 -0.804 878 HG23 VAL 112 HG23 VAL 112 -6.160 1.807 -1.950 879 H LYS 113 H LYS 113 -5.293 3.138 3.438 880 HA LYS 113 HA LYS 113 -7.652 4.760 4.119 881 HB2 LYS 113 HB2 LYS 113 -5.858 3.616 6.314 882 HB3 LYS 113 HB3 LYS 113 -7.402 4.447 6.490 883 HG2 LYS 113 HG2 LYS 113 -8.412 2.404 5.262 884 HG3 LYS 113 HG3 LYS 113 -6.868 1.616 5.586 885 HD2 LYS 113 HD2 LYS 113 -8.846 2.688 7.616 886 HD3 LYS 113 HD3 LYS 113 -8.453 1.000 7.308 887 HE2 LYS 113 HE2 LYS 113 -6.103 1.521 8.093 888 HE3 LYS 113 HE3 LYS 113 -6.695 3.110 8.586 889 HZ1 LYS 113 HZ1 LYS 113 -7.853 0.553 9.535 890 HZ2 LYS 113 HZ2 LYS 113 -8.197 2.106 10.105 891 HZ3 LYS 113 HZ3 LYS 113 -6.676 1.425 10.381 892 H GLN 114 H GLN 114 -6.832 6.689 3.390 893 HA GLN 114 HA GLN 114 -4.200 7.551 4.350 894 HB2 GLN 114 HB2 GLN 114 -4.409 9.450 2.801 895 HB3 GLN 114 HB3 GLN 114 -4.579 7.921 1.959 896 HG2 GLN 114 HG2 GLN 114 -7.055 9.390 2.818 897 HG3 GLN 114 HG3 GLN 114 -6.160 9.970 1.419 898 HE21 GLN 114 HE21 GLN 114 -8.001 9.535 0.140 899 HE22 GLN 114 HE22 GLN 114 -8.416 7.935 -0.329 900 H ASN 115 H ASN 115 -4.115 9.871 5.099 901 HA ASN 115 HA ASN 115 -5.643 9.954 7.516 902 HB2 ASN 115 HB2 ASN 115 -3.249 10.624 7.400 903 HB3 ASN 115 HB3 ASN 115 -3.681 11.991 6.383 904 HD21 ASN 115 HD21 ASN 115 -2.882 13.519 7.819 905 HD22 ASN 115 HD22 ASN 115 -3.638 13.875 9.326 906 H GLU 116 H GLU 116 -5.407 12.053 4.674 907 HA GLU 116 HA GLU 116 -8.114 13.133 5.232 908 HB2 GLU 116 HB2 GLU 116 -5.849 14.294 3.538 909 HB3 GLU 116 HB3 GLU 116 -7.429 15.043 3.778 910 HG2 GLU 116 HG2 GLU 116 -6.954 15.337 6.166 911 HG3 GLU 116 HG3 GLU 116 -5.411 14.500 5.981 912 H ALA 117 H ALA 117 -9.521 11.832 4.086 913 HA ALA 117 HA ALA 117 -8.707 10.549 1.608 914 HB1 ALA 117 HB1 ALA 117 -11.400 10.606 3.019 915 HB2 ALA 117 HB2 ALA 117 -10.163 9.357 3.172 916 HB3 ALA 117 HB3 ALA 117 -10.989 9.591 1.631 917 H ARG 118 H ARG 118 -8.496 11.882 -0.094 918 HA ARG 118 HA ARG 118 -10.728 13.699 -0.815 919 HB2 ARG 118 HB2 ARG 118 -8.357 14.648 -0.495 920 HB3 ARG 118 HB3 ARG 118 -7.867 13.687 -1.879 921 HG2 ARG 118 HG2 ARG 118 -9.379 14.954 -3.328 922 HG3 ARG 118 HG3 ARG 118 -9.965 15.874 -1.938 923 HD2 ARG 118 HD2 ARG 118 -7.140 15.896 -3.070 924 HD3 ARG 118 HD3 ARG 118 -8.334 17.195 -3.161 925 HE ARG 118 HE ARG 118 -8.198 17.160 -0.617 926 HH11 ARG 118 HH11 ARG 118 -5.409 16.475 -2.640 927 HH12 ARG 118 HH12 ARG 118 -4.272 17.004 -1.451 928 HH21 ARG 118 HH21 ARG 118 -6.690 17.796 0.941 929 HH22 ARG 118 HH22 ARG 118 -4.994 17.754 0.585 930 H THR 119 H THR 119 -11.786 13.189 -2.753 931 HA THR 119 HA THR 119 -11.847 10.509 -3.507 932 HB THR 119 HB THR 119 -12.855 12.850 -5.185 933 HG1 THR 119 HG1 THR 119 -14.731 12.678 -3.963 934 HG21 THR 119 HG21 THR 119 -13.787 9.953 -5.091 935 HG22 THR 119 HG22 THR 119 -12.892 10.691 -6.418 936 HG23 THR 119 HG23 THR 119 -14.527 11.244 -6.048 937 H GLU 120 H GLU 120 -10.281 13.243 -5.174 938 HA GLU 120 HA GLU 120 -9.321 11.829 -7.418 939 HB2 GLU 120 HB2 GLU 120 -7.819 13.768 -7.791 940 HB3 GLU 120 HB3 GLU 120 -9.483 14.247 -7.492 941 HG2 GLU 120 HG2 GLU 120 -8.943 14.950 -5.239 942 HG3 GLU 120 HG3 GLU 120 -7.317 14.288 -5.376 943 H THR 121 H THR 121 -7.721 12.599 -4.286 944 HA THR 121 HA THR 121 -5.171 11.594 -4.943 945 HB THR 121 HB THR 121 -4.689 11.549 -2.496 946 HG1 THR 121 HG1 THR 121 -6.314 12.056 -1.001 947 HG21 THR 121 HG21 THR 121 -6.214 14.033 -3.336 948 HG22 THR 121 HG22 THR 121 -4.511 13.707 -3.675 949 HG23 THR 121 HG23 THR 121 -5.056 13.935 -2.012 950 H LEU 122 H LEU 122 -7.936 10.128 -3.372 951 HA LEU 122 HA LEU 122 -6.938 7.618 -2.736 952 HB2 LEU 122 HB2 LEU 122 -9.041 8.550 -1.868 953 HB3 LEU 122 HB3 LEU 122 -9.761 8.474 -3.469 954 HG LEU 122 HG LEU 122 -9.755 6.031 -3.414 955 HD11 LEU 122 HD11 LEU 122 -7.706 5.598 -2.139 956 HD12 LEU 122 HD12 LEU 122 -9.063 4.753 -1.411 957 HD13 LEU 122 HD13 LEU 122 -8.453 6.232 -0.667 958 HD21 LEU 122 HD21 LEU 122 -11.408 5.670 -1.620 959 HD22 LEU 122 HD22 LEU 122 -11.706 7.186 -2.463 960 HD23 LEU 122 HD23 LEU 122 -10.946 7.201 -0.868 961 H ASN 123 H ASN 123 -8.754 8.601 -5.682 962 HA ASN 123 HA ASN 123 -8.813 5.957 -6.778 963 HB2 ASN 123 HB2 ASN 123 -9.522 8.666 -7.932 964 HB3 ASN 123 HB3 ASN 123 -9.512 7.239 -8.961 965 HD21 ASN 123 HD21 ASN 123 -11.298 8.994 -6.620 966 HD22 ASN 123 HD22 ASN 123 -12.636 7.913 -6.493 967 H SER 124 H SER 124 -6.842 8.823 -7.505 968 HA SER 124 HA SER 124 -5.316 7.649 -9.593 969 HB2 SER 124 HB2 SER 124 -5.543 10.107 -9.253 970 HB3 SER 124 HB3 SER 124 -4.549 9.987 -7.799 971 HG SER 124 HG SER 124 -3.692 10.389 -10.205 972 H PHE 125 H PHE 125 -4.905 7.696 -6.092 973 HA PHE 125 HA PHE 125 -2.264 6.646 -5.949 974 HB2 PHE 125 HB2 PHE 125 -3.337 7.735 -4.015 975 HB3 PHE 125 HB3 PHE 125 -4.540 6.452 -3.933 976 HD1 PHE 125 HD2 PHE 125 -0.824 6.947 -3.819 977 HD2 PHE 125 HD1 PHE 125 -4.150 4.653 -2.438 978 HE1 PHE 125 HE2 PHE 125 0.660 5.711 -2.306 979 HE2 PHE 125 HE1 PHE 125 -2.658 3.416 -0.930 980 HZ PHE 125 HZ PHE 125 -0.251 3.944 -0.853 981 H ILE 126 H ILE 126 -5.462 5.107 -5.836 982 HA ILE 126 HA ILE 126 -4.703 2.399 -5.666 983 HB ILE 126 HB ILE 126 -7.172 3.630 -6.978 984 HG12 ILE 126 HG12 ILE 126 -6.935 2.390 -4.189 985 HG13 ILE 126 HG13 ILE 126 -6.822 4.120 -4.495 986 HG21 ILE 126 HG21 ILE 126 -8.250 1.398 -6.710 987 HG22 ILE 126 HG22 ILE 126 -6.715 0.730 -6.144 988 HG23 ILE 126 HG23 ILE 126 -6.865 1.333 -7.796 989 HD11 ILE 126 HD11 ILE 126 -9.214 2.383 -5.068 990 HD12 ILE 126 HD12 ILE 126 -9.105 4.123 -5.359 991 HD13 ILE 126 HD13 ILE 126 -9.022 3.493 -3.713 992 H SER 127 H SER 127 -5.031 4.588 -8.440 993 HA SER 127 HA SER 127 -4.686 2.738 -10.535 994 HB2 SER 127 HB2 SER 127 -3.738 5.633 -10.508 995 HB3 SER 127 HB3 SER 127 -4.116 4.664 -11.932 996 HG SER 127 HG SER 127 -6.234 4.667 -10.285 997 H VAL 128 H VAL 128 -2.308 4.636 -8.645 998 HA VAL 128 HA VAL 128 0.045 3.805 -9.981 999 HB VAL 128 HB VAL 128 -0.269 4.674 -7.067 1000 HG11 VAL 128 HG11 VAL 128 2.153 5.202 -7.108 1001 HG12 VAL 128 HG12 VAL 128 2.280 4.522 -8.735 1002 HG13 VAL 128 HG13 VAL 128 1.863 3.484 -7.369 1003 HG21 VAL 128 HG21 VAL 128 -1.043 6.397 -8.638 1004 HG22 VAL 128 HG22 VAL 128 0.484 6.320 -9.520 1005 HG23 VAL 128 HG23 VAL 128 0.451 6.907 -7.856 1006 H LEU 129 H LEU 129 -1.461 2.561 -6.970 1007 HA LEU 129 HA LEU 129 0.077 0.352 -6.435 1008 HB2 LEU 129 HB2 LEU 129 -2.957 0.491 -6.212 1009 HB3 LEU 129 HB3 LEU 129 -1.934 -0.680 -5.392 1010 HG LEU 129 HG LEU 129 -1.986 2.322 -4.877 1011 HD11 LEU 129 HD11 LEU 129 -2.934 1.733 -2.684 1012 HD12 LEU 129 HD12 LEU 129 -2.964 0.030 -3.145 1013 HD13 LEU 129 HD13 LEU 129 -3.972 1.198 -4.003 1014 HD21 LEU 129 HD21 LEU 129 -0.439 1.879 -2.986 1015 HD22 LEU 129 HD22 LEU 129 0.302 1.492 -4.536 1016 HD23 LEU 129 HD23 LEU 129 -0.294 0.195 -3.499 1017 H GLU 130 H GLU 130 -2.696 0.464 -8.656 1018 HA GLU 130 HA GLU 130 -2.645 -2.255 -9.489 1019 HB2 GLU 130 HB2 GLU 130 -3.866 0.204 -10.793 1020 HB3 GLU 130 HB3 GLU 130 -4.114 -1.432 -11.404 1021 HG2 GLU 130 HG2 GLU 130 -5.205 -2.088 -9.330 1022 HG3 GLU 130 HG3 GLU 130 -4.876 -0.506 -8.620 1023 H THR 131 H THR 131 -0.956 0.581 -10.705 1024 HA THR 131 HA THR 131 0.026 -0.533 -13.148 1025 HB THR 131 HB THR 131 1.196 1.703 -11.426 1026 HG1 THR 131 HG1 THR 131 -0.833 1.633 -13.406 1027 HG21 THR 131 HG21 THR 131 1.649 1.088 -14.372 1028 HG22 THR 131 HG22 THR 131 2.840 0.934 -13.079 1029 HG23 THR 131 HG23 THR 131 2.227 2.526 -13.521 1030 H VAL 132 H VAL 132 1.364 -0.281 -9.861 1031 HA VAL 132 HA VAL 132 3.890 -1.496 -10.391 1032 HB VAL 132 HB VAL 132 2.432 -1.286 -7.716 1033 HG11 VAL 132 HG11 VAL 132 4.322 -2.855 -7.630 1034 HG12 VAL 132 HG12 VAL 132 4.684 -1.403 -6.702 1035 HG13 VAL 132 HG13 VAL 132 5.401 -1.629 -8.298 1036 HG21 VAL 132 HG21 VAL 132 2.629 0.911 -8.803 1037 HG22 VAL 132 HG22 VAL 132 4.372 0.692 -8.968 1038 HG23 VAL 132 HG23 VAL 132 3.641 0.808 -7.366 1039 H ILE 133 H ILE 133 0.946 -2.692 -8.818 1040 HA ILE 133 HA ILE 133 1.778 -5.324 -8.245 1041 HB ILE 133 HB ILE 133 -0.961 -3.995 -8.497 1042 HG12 ILE 133 HG12 ILE 133 0.621 -4.950 -6.057 1043 HG13 ILE 133 HG13 ILE 133 0.373 -3.278 -6.548 1044 HG21 ILE 133 HG21 ILE 133 -1.351 -6.325 -9.093 1045 HG22 ILE 133 HG22 ILE 133 -2.034 -5.992 -7.505 1046 HG23 ILE 133 HG23 ILE 133 -0.513 -6.878 -7.639 1047 HD11 ILE 133 HD11 ILE 133 -1.703 -5.199 -5.514 1048 HD12 ILE 133 HD12 ILE 133 -2.056 -3.569 -6.103 1049 HD13 ILE 133 HD13 ILE 133 -1.031 -3.798 -4.685 1050 H GLY 134 H GLY 134 -0.054 -3.874 -10.903 1051 HA2 GLY 134 HA2 GLY 134 -0.785 -6.102 -12.401 1052 HA3 GLY 134 HA3 GLY 134 -0.491 -4.497 -13.051 1053 H THR 135 H THR 135 2.181 -4.093 -12.742 1054 HA THR 135 HA THR 135 3.246 -5.666 -14.877 1055 HB THR 135 HB THR 135 3.816 -3.229 -14.429 1056 HG1 THR 135 HG1 THR 135 4.996 -4.585 -15.892 1057 HG21 THR 135 HG21 THR 135 4.414 -3.381 -12.027 1058 HG22 THR 135 HG22 THR 135 5.736 -2.719 -12.985 1059 HG23 THR 135 HG23 THR 135 5.799 -4.395 -12.435 1060 H ILE 136 H ILE 136 3.256 -6.202 -11.444 1061 HA ILE 136 HA ILE 136 5.519 -8.023 -11.416 1062 HB ILE 136 HB ILE 136 3.269 -7.844 -9.349 1063 HG12 ILE 136 HG12 ILE 136 4.218 -5.649 -9.438 1064 HG13 ILE 136 HG13 ILE 136 4.885 -6.416 -8.012 1065 HG21 ILE 136 HG21 ILE 136 6.077 -8.991 -9.087 1066 HG22 ILE 136 HG22 ILE 136 4.567 -9.903 -9.131 1067 HG23 ILE 136 HG23 ILE 136 4.906 -8.834 -7.770 1068 HD11 ILE 136 HD11 ILE 136 6.293 -5.974 -10.642 1069 HD12 ILE 136 HD12 ILE 136 6.974 -6.822 -9.252 1070 HD13 ILE 136 HD13 ILE 136 6.558 -5.115 -9.125 1071 H GLU 137 H GLU 137 2.004 -8.219 -11.664 1072 HA GLU 137 HA GLU 137 1.762 -11.073 -11.440 1073 HB2 GLU 137 HB2 GLU 137 -0.180 -9.027 -12.601 1074 HB3 GLU 137 HB3 GLU 137 -0.579 -10.684 -12.159 1075 HG2 GLU 137 HG2 GLU 137 -0.259 -10.211 -9.819 1076 HG3 GLU 137 HG3 GLU 137 0.379 -8.606 -10.179 1077 H GLU 138 H GLU 138 2.076 -12.574 -13.055 1078 HA GLU 138 HA GLU 138 2.330 -11.699 -15.840 1079 HB2 GLU 138 HB2 GLU 138 3.758 -13.554 -14.609 1080 HB3 GLU 138 HB3 GLU 138 2.393 -14.602 -14.955 1081 HG2 GLU 138 HG2 GLU 138 4.026 -13.086 -17.021 1082 HG3 GLU 138 HG3 GLU 138 4.243 -14.782 -16.601 1083 H ILE 139 H ILE 139 0.279 -11.033 -16.416 1084 HA ILE 139 HA ILE 139 -2.082 -12.613 -15.713 1085 HB ILE 139 HB ILE 139 -2.046 -9.939 -17.188 1086 HG12 ILE 139 HG12 ILE 139 -2.163 -10.415 -14.159 1087 HG13 ILE 139 HG13 ILE 139 -0.815 -9.695 -15.029 1088 HG21 ILE 139 HG21 ILE 139 -4.368 -9.722 -16.352 1089 HG22 ILE 139 HG22 ILE 139 -4.238 -11.283 -15.537 1090 HG23 ILE 139 HG23 ILE 139 -4.182 -11.198 -17.300 1091 HD11 ILE 139 HD11 ILE 139 -3.570 -8.517 -14.714 1092 HD12 ILE 139 HD12 ILE 139 -2.240 -7.779 -15.610 1093 HD13 ILE 139 HD13 ILE 139 -2.107 -8.019 -13.866 1094 H LYS 140 H LYS 140 -1.378 -14.375 -17.101 1095 HA LYS 140 HA LYS 140 -2.836 -14.450 -19.543 1096 HB2 LYS 140 HB2 LYS 140 -0.729 -13.331 -20.348 1097 HB3 LYS 140 HB3 LYS 140 0.209 -14.700 -19.784 1098 HG2 LYS 140 HG2 LYS 140 -1.952 -15.054 -21.882 1099 HG3 LYS 140 HG3 LYS 140 -0.350 -14.476 -22.327 1100 HD2 LYS 140 HD2 LYS 140 -0.975 -17.139 -20.989 1101 HD3 LYS 140 HD3 LYS 140 -0.568 -16.908 -22.691 1102 HE2 LYS 140 HE2 LYS 140 1.669 -16.099 -22.043 1103 HE3 LYS 140 HE3 LYS 140 1.259 -16.288 -20.340 1104 HZ1 LYS 140 HZ1 LYS 140 0.990 -18.676 -20.742 1105 HZ2 LYS 140 HZ2 LYS 140 2.553 -18.150 -21.103 1106 HZ3 LYS 140 HZ3 LYS 140 1.469 -18.469 -22.350 1107 H SER 141 H SER 141 0.067 -16.089 -18.270 1108 HA SER 141 HA SER 141 0.630 -18.215 -17.842 1109 HB2 SER 141 HB2 SER 141 -0.708 -19.248 -15.979 1110 HB3 SER 141 HB3 SER 141 -0.277 -17.565 -15.692 1111 HG SER 141 HG SER 141 -2.734 -18.192 -16.894 Start of MODEL 3 1 H1 MET 1 H1 MET 1 -16.549 69.906 -9.262 2 H2 MET 1 H2 MET 1 -17.418 71.345 -9.411 3 H3 MET 1 H3 MET 1 -18.210 69.858 -9.559 4 HA MET 1 HA MET 1 -16.897 70.883 -7.113 5 HB2 MET 1 HB2 MET 1 -19.876 70.439 -7.617 6 HB3 MET 1 HB3 MET 1 -19.139 71.153 -6.183 7 HG2 MET 1 HG2 MET 1 -20.101 72.919 -7.461 8 HG3 MET 1 HG3 MET 1 -18.351 73.050 -7.639 9 HE1 MET 1 HE1 MET 1 -18.706 74.670 -9.822 10 HE2 MET 1 HE2 MET 1 -20.453 74.535 -9.597 11 HE3 MET 1 HE3 MET 1 -19.741 74.216 -11.178 12 H GLY 2 H GLY 2 -17.450 69.519 -5.200 13 HA2 GLY 2 HA2 GLY 2 -17.448 67.523 -4.082 14 HA3 GLY 2 HA3 GLY 2 -18.445 66.880 -5.377 15 H HIS 3 H HIS 3 -15.064 67.928 -4.909 16 HA HIS 3 HA HIS 3 -13.991 66.042 -6.802 17 HB2 HIS 3 HB2 HIS 3 -12.932 68.252 -6.386 18 HB3 HIS 3 HB3 HIS 3 -12.585 67.782 -4.726 19 HD1 HIS 3 HD1 HIS 3 -10.498 66.361 -4.325 20 HD2 HIS 3 HD2 HIS 3 -11.303 66.942 -8.358 21 HE1 HIS 3 HE1 HIS 3 -8.438 65.594 -5.539 22 HE2 HIS 3 HE2 HIS 3 -9.004 65.817 -7.985 23 H HIS 4 H HIS 4 -14.850 64.091 -5.993 24 HA HIS 4 HA HIS 4 -13.056 62.708 -4.206 25 HB2 HIS 4 HB2 HIS 4 -14.966 61.680 -2.862 26 HB3 HIS 4 HB3 HIS 4 -14.617 63.360 -2.500 27 HD1 HIS 4 HD1 HIS 4 -16.525 64.936 -2.603 28 HD2 HIS 4 HD2 HIS 4 -17.442 61.324 -4.414 29 HE1 HIS 4 HE1 HIS 4 -18.981 65.043 -3.083 30 HE2 HIS 4 HE2 HIS 4 -19.509 62.873 -4.248 31 H HIS 5 H HIS 5 -12.573 60.834 -5.139 32 HA HIS 5 HA HIS 5 -14.471 59.426 -6.908 33 HB2 HIS 5 HB2 HIS 5 -11.620 60.155 -7.747 34 HB3 HIS 5 HB3 HIS 5 -12.746 59.166 -8.670 35 HD1 HIS 5 HD1 HIS 5 -11.637 62.588 -8.243 36 HD2 HIS 5 HD2 HIS 5 -15.082 60.705 -9.603 37 HE1 HIS 5 HE1 HIS 5 -12.894 64.341 -9.521 38 HE2 HIS 5 HE2 HIS 5 -14.935 63.158 -10.419 39 H HIS 6 H HIS 6 -14.117 57.201 -7.029 40 HA HIS 6 HA HIS 6 -11.651 55.980 -6.248 41 HB2 HIS 6 HB2 HIS 6 -12.499 54.569 -4.398 42 HB3 HIS 6 HB3 HIS 6 -12.549 56.272 -3.981 43 HD1 HIS 6 HD1 HIS 6 -14.492 53.360 -3.579 44 HD2 HIS 6 HD2 HIS 6 -15.384 57.303 -4.517 45 HE1 HIS 6 HE1 HIS 6 -16.912 53.649 -2.995 46 HE2 HIS 6 HE2 HIS 6 -17.459 56.019 -3.658 47 H HIS 7 H HIS 7 -11.372 54.139 -7.267 48 HA HIS 7 HA HIS 7 -13.447 52.359 -8.211 49 HB2 HIS 7 HB2 HIS 7 -11.777 54.015 -10.156 50 HB3 HIS 7 HB3 HIS 7 -12.391 52.434 -10.617 51 HD1 HIS 7 HD1 HIS 7 -13.179 55.795 -11.107 52 HD2 HIS 7 HD2 HIS 7 -15.450 52.464 -10.114 53 HE1 HIS 7 HE1 HIS 7 -15.521 56.345 -11.824 54 HE2 HIS 7 HE2 HIS 7 -16.856 54.270 -11.334 55 H HIS 8 H HIS 8 -11.975 51.435 -6.422 56 HA HIS 8 HA HIS 8 -9.330 50.542 -7.206 57 HB2 HIS 8 HB2 HIS 8 -10.998 49.916 -4.728 58 HB3 HIS 8 HB3 HIS 8 -9.353 49.339 -4.991 59 HD1 HIS 8 HD1 HIS 8 -7.454 50.962 -4.475 60 HD2 HIS 8 HD2 HIS 8 -11.196 52.753 -4.235 61 HE1 HIS 8 HE1 HIS 8 -7.056 53.204 -3.421 62 HE2 HIS 8 HE2 HIS 8 -9.335 54.275 -3.292 63 H SER 9 H SER 9 -9.244 48.998 -8.719 64 HA SER 9 HA SER 9 -11.269 47.062 -9.247 65 HB2 SER 9 HB2 SER 9 -9.724 47.977 -10.981 66 HB3 SER 9 HB3 SER 9 -8.384 47.109 -10.230 67 HG SER 9 HG SER 9 -9.198 45.874 -11.916 68 H HIS 10 H HIS 10 -10.884 44.687 -9.262 69 HA HIS 10 HA HIS 10 -9.954 43.762 -6.664 70 HB2 HIS 10 HB2 HIS 10 -11.157 42.149 -8.966 71 HB3 HIS 10 HB3 HIS 10 -10.936 41.594 -7.308 72 HD1 HIS 10 HD1 HIS 10 -13.385 43.082 -9.500 73 HD2 HIS 10 HD2 HIS 10 -12.620 43.162 -5.413 74 HE1 HIS 10 HE1 HIS 10 -15.502 43.899 -8.436 75 HE2 HIS 10 HE2 HIS 10 -15.037 43.901 -5.966 76 H MET 11 H MET 11 -8.128 42.527 -6.287 77 HA MET 11 HA MET 11 -6.507 41.655 -8.611 78 HB2 MET 11 HB2 MET 11 -5.440 43.316 -6.960 79 HB3 MET 11 HB3 MET 11 -5.481 42.031 -5.762 80 HG2 MET 11 HG2 MET 11 -3.981 41.962 -8.399 81 HG3 MET 11 HG3 MET 11 -3.274 42.231 -6.805 82 HE1 MET 11 HE1 MET 11 -1.503 40.222 -7.482 83 HE2 MET 11 HE2 MET 11 -2.363 39.955 -9.002 84 HE3 MET 11 HE3 MET 11 -2.042 38.600 -7.925 85 H GLN 12 H GLN 12 -7.107 39.621 -9.009 86 HA GLN 12 HA GLN 12 -6.984 37.598 -6.869 87 HB2 GLN 12 HB2 GLN 12 -9.201 37.907 -8.945 88 HB3 GLN 12 HB3 GLN 12 -8.950 36.416 -8.043 89 HG2 GLN 12 HG2 GLN 12 -9.461 37.535 -5.947 90 HG3 GLN 12 HG3 GLN 12 -9.559 39.100 -6.757 91 HE21 GLN 12 HE21 GLN 12 -11.155 36.016 -6.262 92 HE22 GLN 12 HE22 GLN 12 -12.709 36.496 -6.845 93 H GLU 13 H GLU 13 -6.328 35.561 -7.572 94 HA GLU 13 HA GLU 13 -5.512 35.188 -10.380 95 HB2 GLU 13 HB2 GLU 13 -3.623 35.798 -8.444 96 HB3 GLU 13 HB3 GLU 13 -3.647 34.051 -8.292 97 HG2 GLU 13 HG2 GLU 13 -3.035 35.630 -10.813 98 HG3 GLU 13 HG3 GLU 13 -1.851 34.831 -9.781 99 H LEU 14 H LEU 14 -5.495 32.913 -10.990 100 HA LEU 14 HA LEU 14 -7.771 31.581 -10.130 101 HB2 LEU 14 HB2 LEU 14 -5.436 30.622 -11.800 102 HB3 LEU 14 HB3 LEU 14 -6.767 29.547 -11.406 103 HG LEU 14 HG LEU 14 -8.336 31.213 -12.503 104 HD11 LEU 14 HD11 LEU 14 -6.963 33.219 -12.455 105 HD12 LEU 14 HD12 LEU 14 -7.414 32.828 -14.111 106 HD13 LEU 14 HD13 LEU 14 -5.780 32.479 -13.536 107 HD21 LEU 14 HD21 LEU 14 -6.234 29.942 -14.289 108 HD22 LEU 14 HD22 LEU 14 -7.847 30.461 -14.789 109 HD23 LEU 14 HD23 LEU 14 -7.669 29.148 -13.631 110 HA PRO 15 HA PRO 15 -6.577 29.538 -6.279 111 HB2 PRO 15 HB2 PRO 15 -8.709 27.573 -7.147 112 HB3 PRO 15 HB3 PRO 15 -8.525 28.429 -5.599 113 HG2 PRO 15 HG2 PRO 15 -10.359 29.237 -7.308 114 HG3 PRO 15 HG3 PRO 15 -9.367 30.438 -6.446 115 HD2 PRO 15 HD2 PRO 15 -9.121 29.477 -9.287 116 HD3 PRO 15 HD3 PRO 15 -8.983 31.126 -8.635 117 H ASP 16 H ASP 16 -5.498 27.703 -5.541 118 HA ASP 16 HA ASP 16 -3.708 26.513 -7.391 119 HB2 ASP 16 HB2 ASP 16 -3.111 27.157 -5.070 120 HB3 ASP 16 HB3 ASP 16 -4.163 25.895 -4.439 121 H SER 17 H SER 17 -3.467 24.367 -8.031 122 HA SER 17 HA SER 17 -5.684 22.472 -7.571 123 HB2 SER 17 HB2 SER 17 -4.518 23.179 -10.306 124 HB3 SER 17 HB3 SER 17 -5.784 21.987 -9.989 125 HG SER 17 HG SER 17 -5.936 24.788 -9.518 126 H GLY 18 H GLY 18 -3.282 22.394 -6.250 127 HA2 GLY 18 HA2 GLY 18 -1.108 21.066 -7.356 128 HA3 GLY 18 HA3 GLY 18 -1.546 21.042 -5.658 129 H ALA 19 H ALA 19 -1.166 19.163 -8.437 130 HA ALA 19 HA ALA 19 -3.205 17.195 -8.046 131 HB1 ALA 19 HB1 ALA 19 -0.707 17.077 -9.767 132 HB2 ALA 19 HB2 ALA 19 -2.287 17.668 -10.278 133 HB3 ALA 19 HB3 ALA 19 -2.081 15.966 -9.861 134 H LEU 20 H LEU 20 -2.679 14.852 -7.799 135 HA LEU 20 HA LEU 20 -1.250 14.285 -5.405 136 HB2 LEU 20 HB2 LEU 20 -3.151 12.893 -6.088 137 HB3 LEU 20 HB3 LEU 20 -2.355 12.466 -7.594 138 HG LEU 20 HG LEU 20 -0.587 11.262 -6.231 139 HD11 LEU 20 HD11 LEU 20 -1.058 10.664 -3.916 140 HD12 LEU 20 HD12 LEU 20 -2.494 11.690 -3.921 141 HD13 LEU 20 HD13 LEU 20 -0.890 12.409 -4.095 142 HD21 LEU 20 HD21 LEU 20 -2.358 9.999 -7.341 143 HD22 LEU 20 HD22 LEU 20 -3.432 10.228 -5.958 144 HD23 LEU 20 HD23 LEU 20 -1.963 9.262 -5.790 145 H MET 21 H MET 21 0.904 14.865 -5.550 146 HA MET 21 HA MET 21 2.614 13.298 -7.397 147 HB2 MET 21 HB2 MET 21 2.475 15.707 -8.054 148 HB3 MET 21 HB3 MET 21 3.113 16.165 -6.482 149 HG2 MET 21 HG2 MET 21 4.682 14.338 -8.294 150 HG3 MET 21 HG3 MET 21 4.699 16.080 -8.542 151 HE1 MET 21 HE1 MET 21 6.316 17.390 -5.227 152 HE2 MET 21 HE2 MET 21 4.599 17.266 -5.605 153 HE3 MET 21 HE3 MET 21 5.734 17.833 -6.831 154 H LEU 22 H LEU 22 3.322 11.729 -6.071 155 HA LEU 22 HA LEU 22 3.746 12.011 -3.271 156 HB2 LEU 22 HB2 LEU 22 4.646 9.817 -5.176 157 HB3 LEU 22 HB3 LEU 22 4.667 9.696 -3.423 158 HG LEU 22 HG LEU 22 2.118 10.055 -5.055 159 HD11 LEU 22 HD11 LEU 22 3.274 7.479 -3.928 160 HD12 LEU 22 HD12 LEU 22 3.153 7.910 -5.636 161 HD13 LEU 22 HD13 LEU 22 1.688 7.663 -4.690 162 HD21 LEU 22 HD21 LEU 22 0.968 9.364 -2.987 163 HD22 LEU 22 HD22 LEU 22 1.913 10.823 -2.730 164 HD23 LEU 22 HD23 LEU 22 2.518 9.278 -2.140 165 H VAL 23 H VAL 23 5.550 12.570 -2.175 166 HA VAL 23 HA VAL 23 8.133 12.821 -3.589 167 HB VAL 23 HB VAL 23 8.787 14.534 -1.887 168 HG11 VAL 23 HG11 VAL 23 7.405 16.381 -2.799 169 HG12 VAL 23 HG12 VAL 23 6.250 15.202 -3.430 170 HG13 VAL 23 HG13 VAL 23 7.898 15.247 -4.058 171 HG21 VAL 23 HG21 VAL 23 7.069 15.560 -0.409 172 HG22 VAL 23 HG22 VAL 23 7.312 13.857 -0.021 173 HG23 VAL 23 HG23 VAL 23 5.890 14.354 -0.939 174 HA PRO 24 HA PRO 24 9.784 9.701 -0.743 175 HB2 PRO 24 HB2 PRO 24 12.434 11.011 -1.301 176 HB3 PRO 24 HB3 PRO 24 11.929 9.325 -1.554 177 HG2 PRO 24 HG2 PRO 24 12.246 10.938 -3.631 178 HG3 PRO 24 HG3 PRO 24 10.883 9.791 -3.581 179 HD2 PRO 24 HD2 PRO 24 10.876 12.747 -2.947 180 HD3 PRO 24 HD3 PRO 24 9.753 11.814 -3.966 181 H ASN 25 H ASN 25 8.631 10.933 0.956 182 HA ASN 25 HA ASN 25 10.174 12.719 2.659 183 HB2 ASN 25 HB2 ASN 25 7.632 12.871 2.185 184 HB3 ASN 25 HB3 ASN 25 7.439 11.466 3.215 185 HD21 ASN 25 HD21 ASN 25 6.437 14.260 3.445 186 HD22 ASN 25 HD22 ASN 25 6.922 14.798 5.010 187 H ARG 26 H ARG 26 10.380 12.116 5.021 188 HA ARG 26 HA ARG 26 12.016 9.946 5.412 189 HB2 ARG 26 HB2 ARG 26 10.415 11.506 7.462 190 HB3 ARG 26 HB3 ARG 26 11.698 10.360 7.869 191 HG2 ARG 26 HG2 ARG 26 13.301 11.683 6.557 192 HG3 ARG 26 HG3 ARG 26 12.029 12.847 6.174 193 HD2 ARG 26 HD2 ARG 26 13.013 12.195 8.966 194 HD3 ARG 26 HD3 ARG 26 13.523 13.569 7.991 195 HE ARG 26 HE ARG 26 10.667 13.409 8.397 196 HH11 ARG 26 HH11 ARG 26 13.661 14.669 9.737 197 HH12 ARG 26 HH12 ARG 26 12.866 15.903 10.658 198 HH21 ARG 26 HH21 ARG 26 9.641 14.998 9.631 199 HH22 ARG 26 HH22 ARG 26 10.588 16.087 10.597 200 H GLN 27 H GLN 27 11.806 7.890 6.044 201 HA GLN 27 HA GLN 27 9.482 6.403 5.662 202 HB2 GLN 27 HB2 GLN 27 10.685 4.485 6.593 203 HB3 GLN 27 HB3 GLN 27 11.720 5.399 5.509 204 HG2 GLN 27 HG2 GLN 27 11.838 5.637 8.530 205 HG3 GLN 27 HG3 GLN 27 12.822 4.510 7.602 206 HE21 GLN 27 HE21 GLN 27 13.698 6.679 9.336 207 HE22 GLN 27 HE22 GLN 27 14.675 7.716 8.366 208 H LEU 28 H LEU 28 8.025 5.433 7.015 209 HA LEU 28 HA LEU 28 7.771 6.464 9.770 210 HB2 LEU 28 HB2 LEU 28 5.794 4.842 8.110 211 HB3 LEU 28 HB3 LEU 28 5.479 5.571 9.684 212 HG LEU 28 HG LEU 28 6.051 7.113 7.120 213 HD11 LEU 28 HD11 LEU 28 3.685 7.741 7.184 214 HD12 LEU 28 HD12 LEU 28 3.438 6.716 8.599 215 HD13 LEU 28 HD13 LEU 28 3.875 5.993 7.048 216 HD21 LEU 28 HD21 LEU 28 6.824 8.345 9.120 217 HD22 LEU 28 HD22 LEU 28 5.231 8.152 9.859 218 HD23 LEU 28 HD23 LEU 28 5.417 9.125 8.397 219 H THR 29 H THR 29 7.733 5.040 11.503 220 HA THR 29 HA THR 29 8.967 2.449 11.213 221 HB THR 29 HB THR 29 8.768 2.296 13.655 222 HG1 THR 29 HG1 THR 29 7.494 4.800 13.860 223 HG21 THR 29 HG21 THR 29 10.029 4.312 14.316 224 HG22 THR 29 HG22 THR 29 9.527 5.127 12.834 225 HG23 THR 29 HG23 THR 29 10.593 3.722 12.750 226 H ALA 30 H ALA 30 7.922 0.446 11.814 227 HA ALA 30 HA ALA 30 5.302 0.038 10.833 228 HB1 ALA 30 HB1 ALA 30 5.526 -2.258 11.715 229 HB2 ALA 30 HB2 ALA 30 6.947 -1.767 12.640 230 HB3 ALA 30 HB3 ALA 30 6.992 -1.746 10.877 231 H ASP 31 H ASP 31 6.532 0.742 14.048 232 HA ASP 31 HA ASP 31 4.241 0.371 15.624 233 HB2 ASP 31 HB2 ASP 31 6.422 2.486 15.914 234 HB3 ASP 31 HB3 ASP 31 5.302 1.993 17.180 235 H TYR 32 H TYR 32 5.386 3.320 13.901 236 HA TYR 32 HA TYR 32 3.186 4.981 14.683 237 HB2 TYR 32 HB2 TYR 32 5.320 5.980 13.870 238 HB3 TYR 32 HB3 TYR 32 5.057 5.292 12.272 239 HD1 TYR 32 HD2 TYR 32 3.771 7.827 14.700 240 HD2 TYR 32 HD1 TYR 32 3.580 6.415 10.667 241 HE1 TYR 32 HE2 TYR 32 2.448 9.796 14.060 242 HE2 TYR 32 HE1 TYR 32 2.255 8.374 10.039 243 HH TYR 32 HH TYR 32 0.712 10.013 11.222 244 H PHE 33 H PHE 33 3.869 2.986 11.823 245 HA PHE 33 HA PHE 33 1.725 3.717 10.216 246 HB2 PHE 33 HB2 PHE 33 3.692 2.326 9.481 247 HB3 PHE 33 HB3 PHE 33 3.022 0.947 10.331 248 HD1 PHE 33 HD1 PHE 33 0.521 0.242 9.582 249 HD2 PHE 33 HD2 PHE 33 3.154 2.629 7.207 250 HE1 PHE 33 HE1 PHE 33 -0.774 -0.320 7.574 251 HE2 PHE 33 HE2 PHE 33 1.866 2.051 5.225 252 HZ PHE 33 HZ PHE 33 -0.099 0.585 5.382 253 H GLU 34 H GLU 34 1.989 0.946 12.482 254 HA GLU 34 HA GLU 34 -0.624 -0.041 12.139 255 HB2 GLU 34 HB2 GLU 34 1.238 -1.356 13.180 256 HB3 GLU 34 HB3 GLU 34 1.143 -0.330 14.608 257 HG2 GLU 34 HG2 GLU 34 -1.197 -1.107 14.980 258 HG3 GLU 34 HG3 GLU 34 -1.047 -2.170 13.586 259 H LYS 35 H LYS 35 0.699 2.320 14.419 260 HA LYS 35 HA LYS 35 -1.542 2.684 16.099 261 HB2 LYS 35 HB2 LYS 35 0.664 3.546 16.729 262 HB3 LYS 35 HB3 LYS 35 0.698 4.607 15.321 263 HG2 LYS 35 HG2 LYS 35 -1.327 5.798 16.298 264 HG3 LYS 35 HG3 LYS 35 -1.084 4.850 17.769 265 HD2 LYS 35 HD2 LYS 35 1.115 5.858 18.107 266 HD3 LYS 35 HD3 LYS 35 1.013 6.693 16.551 267 HE2 LYS 35 HE2 LYS 35 -0.943 7.969 17.387 268 HE3 LYS 35 HE3 LYS 35 -0.779 7.176 18.955 269 HZ1 LYS 35 HZ1 LYS 35 0.220 9.384 18.905 270 HZ2 LYS 35 HZ2 LYS 35 1.269 8.891 17.677 271 HZ3 LYS 35 HZ3 LYS 35 1.378 8.189 19.208 272 H THR 36 H THR 36 -0.478 4.502 13.235 273 HA THR 36 HA THR 36 -2.638 6.352 13.188 274 HB THR 36 HB THR 36 -0.736 5.631 10.904 275 HG1 THR 36 HG1 THR 36 0.747 6.473 12.136 276 HG21 THR 36 HG21 THR 36 -2.238 8.219 11.487 277 HG22 THR 36 HG22 THR 36 -2.604 7.085 10.185 278 HG23 THR 36 HG23 THR 36 -1.079 7.969 10.176 279 H TRP 37 H TRP 37 -2.016 3.251 11.683 280 HA TRP 37 HA TRP 37 -4.094 3.108 9.797 281 HB2 TRP 37 HB2 TRP 37 -2.155 1.553 9.847 282 HB3 TRP 37 HB3 TRP 37 -2.727 0.863 11.358 283 HD1 TRP 37 HD1 TRP 37 -4.678 -0.960 11.204 284 HE1 TRP 37 HE1 TRP 37 -5.759 -2.210 9.248 285 HE3 TRP 37 HE3 TRP 37 -2.807 1.799 7.328 286 HZ2 TRP 37 HZ2 TRP 37 -5.805 -2.081 6.442 287 HZ3 TRP 37 HZ3 TRP 37 -3.417 1.157 5.030 288 HH2 TRP 37 HH2 TRP 37 -4.881 -0.742 4.599 289 H LEU 38 H LEU 38 -3.914 2.026 13.197 290 HA LEU 38 HA LEU 38 -6.634 1.112 13.309 291 HB2 LEU 38 HB2 LEU 38 -4.640 1.630 15.550 292 HB3 LEU 38 HB3 LEU 38 -6.188 0.815 15.744 293 HG LEU 38 HG LEU 38 -3.789 -0.199 14.164 294 HD11 LEU 38 HD11 LEU 38 -5.087 -1.317 16.667 295 HD12 LEU 38 HD12 LEU 38 -3.530 -0.493 16.576 296 HD13 LEU 38 HD13 LEU 38 -3.745 -2.048 15.778 297 HD21 LEU 38 HD21 LEU 38 -5.125 -2.238 13.701 298 HD22 LEU 38 HD22 LEU 38 -5.794 -0.806 12.928 299 HD23 LEU 38 HD23 LEU 38 -6.548 -1.448 14.389 300 H SER 39 H SER 39 -5.075 4.164 13.822 301 HA SER 39 HA SER 39 -7.252 5.406 15.255 302 HB2 SER 39 HB2 SER 39 -4.902 6.150 15.561 303 HB3 SER 39 HB3 SER 39 -4.841 6.652 13.870 304 HG SER 39 HG SER 39 -6.190 8.294 14.291 305 H LEU 40 H LEU 40 -6.578 4.745 11.930 306 HA LEU 40 HA LEU 40 -8.445 6.837 10.966 307 HB2 LEU 40 HB2 LEU 40 -6.254 5.254 9.595 308 HB3 LEU 40 HB3 LEU 40 -7.440 6.175 8.684 309 HG LEU 40 HG LEU 40 -5.573 7.425 10.732 310 HD11 LEU 40 HD11 LEU 40 -5.234 7.271 7.718 311 HD12 LEU 40 HD12 LEU 40 -4.239 6.456 8.928 312 HD13 LEU 40 HD13 LEU 40 -4.232 8.214 8.827 313 HD21 LEU 40 HD21 LEU 40 -7.319 8.664 8.570 314 HD22 LEU 40 HD22 LEU 40 -6.223 9.541 9.645 315 HD23 LEU 40 HD23 LEU 40 -7.628 8.715 10.311 316 H LYS 41 H LYS 41 -9.857 6.238 9.185 317 HA LYS 41 HA LYS 41 -10.975 3.509 9.379 318 HB2 LYS 41 HB2 LYS 41 -12.962 4.458 8.268 319 HB3 LYS 41 HB3 LYS 41 -12.568 5.363 9.725 320 HG2 LYS 41 HG2 LYS 41 -11.506 7.132 8.321 321 HG3 LYS 41 HG3 LYS 41 -11.968 6.233 6.870 322 HD2 LYS 41 HD2 LYS 41 -14.354 6.490 7.466 323 HD3 LYS 41 HD3 LYS 41 -13.899 7.359 8.935 324 HE2 LYS 41 HE2 LYS 41 -12.871 9.140 7.540 325 HE3 LYS 41 HE3 LYS 41 -13.388 8.283 6.084 326 HZ1 LYS 41 HZ1 LYS 41 -15.689 8.522 6.850 327 HZ2 LYS 41 HZ2 LYS 41 -14.935 10.013 6.622 328 HZ3 LYS 41 HZ3 LYS 41 -15.155 9.414 8.185 329 H VAL 42 H VAL 42 -11.256 2.263 7.457 330 HA VAL 42 HA VAL 42 -9.352 2.471 5.381 331 HB VAL 42 HB VAL 42 -12.027 0.977 5.314 332 HG11 VAL 42 HG11 VAL 42 -9.531 0.565 3.618 333 HG12 VAL 42 HG12 VAL 42 -11.064 1.235 3.059 334 HG13 VAL 42 HG13 VAL 42 -10.980 -0.447 3.581 335 HG21 VAL 42 HG21 VAL 42 -10.745 -1.012 6.028 336 HG22 VAL 42 HG22 VAL 42 -10.633 0.275 7.228 337 HG23 VAL 42 HG23 VAL 42 -9.276 -0.037 6.145 338 H ALA 43 H ALA 43 -9.322 3.731 3.605 339 HA ALA 43 HA ALA 43 -11.488 5.604 3.065 340 HB1 ALA 43 HB1 ALA 43 -9.145 6.377 3.089 341 HB2 ALA 43 HB2 ALA 43 -9.876 6.642 1.506 342 HB3 ALA 43 HB3 ALA 43 -8.761 5.295 1.749 343 H HIS 44 H HIS 44 -9.725 3.063 1.339 344 HA HIS 44 HA HIS 44 -12.145 2.132 0.033 345 HB2 HIS 44 HB2 HIS 44 -11.239 3.790 -1.616 346 HB3 HIS 44 HB3 HIS 44 -9.698 2.945 -1.620 347 HD2 HIS 44 HD2 HIS 44 -9.591 0.634 -3.206 348 HE1 HIS 44 HE1 HIS 44 -13.498 1.068 -4.774 349 HE2 HIS 44 HE2 HIS 44 -11.247 -0.044 -5.089 350 H GLN 45 H GLN 45 -11.870 -0.064 -0.748 351 HA GLN 45 HA GLN 45 -9.370 -1.449 -0.237 352 HB2 GLN 45 HB2 GLN 45 -10.511 -1.445 1.988 353 HB3 GLN 45 HB3 GLN 45 -11.913 -2.222 1.260 354 HG2 GLN 45 HG2 GLN 45 -10.544 -4.199 0.723 355 HG3 GLN 45 HG3 GLN 45 -9.131 -3.426 1.446 356 HE21 GLN 45 HE21 GLN 45 -9.087 -3.130 3.714 357 HE22 GLN 45 HE22 GLN 45 -10.093 -4.051 4.765 358 H GLN 46 H GLN 46 -9.120 -2.923 -1.770 359 HA GLN 46 HA GLN 46 -11.376 -3.974 -3.311 360 HB2 GLN 46 HB2 GLN 46 -10.639 -1.822 -4.389 361 HB3 GLN 46 HB3 GLN 46 -9.013 -2.476 -4.549 362 HG2 GLN 46 HG2 GLN 46 -9.826 -4.206 -6.076 363 HG3 GLN 46 HG3 GLN 46 -11.483 -3.643 -5.867 364 HE21 GLN 46 HE21 GLN 46 -8.416 -2.997 -7.380 365 HE22 GLN 46 HE22 GLN 46 -8.963 -1.744 -8.427 366 H VAL 47 H VAL 47 -11.009 -6.034 -3.931 367 HA VAL 47 HA VAL 47 -8.436 -7.281 -3.252 368 HB VAL 47 HB VAL 47 -11.073 -8.590 -4.102 369 HG11 VAL 47 HG11 VAL 47 -9.128 -10.025 -4.600 370 HG12 VAL 47 HG12 VAL 47 -10.074 -10.703 -3.276 371 HG13 VAL 47 HG13 VAL 47 -8.555 -9.868 -2.938 372 HG21 VAL 47 HG21 VAL 47 -11.304 -7.407 -1.947 373 HG22 VAL 47 HG22 VAL 47 -9.909 -8.277 -1.300 374 HG23 VAL 47 HG23 VAL 47 -11.384 -9.154 -1.720 375 H LEU 48 H LEU 48 -7.012 -7.683 -4.807 376 HA LEU 48 HA LEU 48 -7.799 -7.630 -7.641 377 HB2 LEU 48 HB2 LEU 48 -5.200 -6.878 -6.240 378 HB3 LEU 48 HB3 LEU 48 -5.202 -7.349 -7.931 379 HG LEU 48 HG LEU 48 -6.916 -5.462 -8.301 380 HD11 LEU 48 HD11 LEU 48 -6.935 -3.592 -6.756 381 HD12 LEU 48 HD12 LEU 48 -5.909 -4.474 -5.625 382 HD13 LEU 48 HD13 LEU 48 -7.543 -5.046 -5.967 383 HD21 LEU 48 HD21 LEU 48 -4.643 -5.355 -9.126 384 HD22 LEU 48 HD22 LEU 48 -4.064 -4.746 -7.568 385 HD23 LEU 48 HD23 LEU 48 -5.159 -3.770 -8.553 386 HA PRO 49 HA PRO 49 -6.326 -11.924 -7.719 387 HB2 PRO 49 HB2 PRO 49 -5.634 -12.167 -10.365 388 HB3 PRO 49 HB3 PRO 49 -7.324 -12.131 -9.822 389 HG2 PRO 49 HG2 PRO 49 -5.687 -9.939 -11.035 390 HG3 PRO 49 HG3 PRO 49 -7.389 -10.370 -11.316 391 HD2 PRO 49 HD2 PRO 49 -6.581 -8.314 -9.682 392 HD3 PRO 49 HD3 PRO 49 -8.119 -9.169 -9.490 393 H TRP 50 H TRP 50 -4.306 -13.009 -7.772 394 HA TRP 50 HA TRP 50 -1.887 -11.511 -8.506 395 HB2 TRP 50 HB2 TRP 50 -2.206 -11.286 -6.022 396 HB3 TRP 50 HB3 TRP 50 -2.190 -13.042 -5.873 397 HD1 TRP 50 HD1 TRP 50 0.188 -14.233 -5.884 398 HE1 TRP 50 HE1 TRP 50 2.597 -13.391 -5.912 399 HE3 TRP 50 HE3 TRP 50 -0.672 -9.303 -6.941 400 HZ2 TRP 50 HZ2 TRP 50 3.981 -10.976 -6.293 401 HZ3 TRP 50 HZ3 TRP 50 1.265 -7.787 -7.113 402 HH2 TRP 50 HH2 TRP 50 3.546 -8.609 -6.795 403 H ARG 51 H ARG 51 -0.777 -12.710 -9.862 404 HA ARG 51 HA ARG 51 -1.555 -15.445 -10.415 405 HB2 ARG 51 HB2 ARG 51 0.560 -13.683 -11.734 406 HB3 ARG 51 HB3 ARG 51 -0.010 -15.238 -12.351 407 HG2 ARG 51 HG2 ARG 51 -1.716 -12.754 -11.971 408 HG3 ARG 51 HG3 ARG 51 -1.089 -13.337 -13.515 409 HD2 ARG 51 HD2 ARG 51 -2.565 -15.169 -13.560 410 HD3 ARG 51 HD3 ARG 51 -2.808 -15.151 -11.813 411 HE ARG 51 HE ARG 51 -3.870 -12.787 -12.619 412 HH11 ARG 51 HH11 ARG 51 -4.460 -16.132 -13.548 413 HH12 ARG 51 HH12 ARG 51 -6.128 -15.850 -13.926 414 HH21 ARG 51 HH21 ARG 51 -6.060 -12.485 -13.024 415 HH22 ARG 51 HH22 ARG 51 -7.029 -13.781 -13.625 416 H GLY 52 H GLY 52 0.199 -17.118 -10.844 417 HA2 GLY 52 HA2 GLY 52 1.666 -17.731 -8.521 418 HA3 GLY 52 HA3 GLY 52 1.845 -18.511 -10.086 419 H GLU 53 H GLU 53 4.115 -18.381 -8.825 420 HA GLU 53 HA GLU 53 6.246 -17.623 -8.674 421 HB2 GLU 53 HB2 GLU 53 5.511 -15.931 -11.109 422 HB3 GLU 53 HB3 GLU 53 7.154 -16.187 -10.526 423 HG2 GLU 53 HG2 GLU 53 7.111 -18.492 -11.134 424 HG3 GLU 53 HG3 GLU 53 5.366 -18.472 -11.375 425 H PHE 54 H PHE 54 5.160 -16.726 -6.682 426 HA PHE 54 HA PHE 54 4.723 -13.907 -6.477 427 HB2 PHE 54 HB2 PHE 54 3.548 -15.358 -4.933 428 HB3 PHE 54 HB3 PHE 54 5.056 -16.062 -4.353 429 HD1 PHE 54 HD2 PHE 54 3.461 -12.670 -4.670 430 HD2 PHE 54 HD1 PHE 54 5.855 -15.261 -2.269 431 HE1 PHE 54 HE2 PHE 54 3.565 -10.953 -2.929 432 HE2 PHE 54 HE1 PHE 54 5.968 -13.537 -0.530 433 HZ PHE 54 HZ PHE 54 4.826 -11.384 -0.862 434 H HIS 55 H HIS 55 6.296 -12.520 -6.677 435 HA HIS 55 HA HIS 55 8.934 -12.931 -5.409 436 HB2 HIS 55 HB2 HIS 55 8.352 -11.377 -7.971 437 HB3 HIS 55 HB3 HIS 55 9.924 -11.521 -7.193 438 HD1 HIS 55 HD1 HIS 55 11.054 -13.941 -7.323 439 HD2 HIS 55 HD2 HIS 55 7.686 -13.431 -9.699 440 HE1 HIS 55 HE1 HIS 55 11.111 -15.828 -8.982 441 HE2 HIS 55 HE2 HIS 55 9.047 -15.521 -10.398 442 HA PRO 56 HA PRO 56 6.984 -9.273 -3.355 443 HB2 PRO 56 HB2 PRO 56 8.281 -9.516 -0.964 444 HB3 PRO 56 HB3 PRO 56 6.893 -10.541 -1.381 445 HG2 PRO 56 HG2 PRO 56 9.822 -11.179 -1.557 446 HG3 PRO 56 HG3 PRO 56 8.492 -12.159 -0.893 447 HD2 PRO 56 HD2 PRO 56 9.477 -12.564 -3.395 448 HD3 PRO 56 HD3 PRO 56 7.771 -12.854 -2.988 449 H ASP 57 H ASP 57 10.292 -10.174 -3.917 450 HA ASP 57 HA ASP 57 11.590 -7.700 -3.416 451 HB2 ASP 57 HB2 ASP 57 12.354 -9.880 -5.408 452 HB3 ASP 57 HB3 ASP 57 13.416 -8.602 -4.819 453 H THR 58 H THR 58 10.126 -9.145 -6.321 454 HA THR 58 HA THR 58 10.730 -6.994 -8.117 455 HB THR 58 HB THR 58 8.623 -9.190 -8.339 456 HG1 THR 58 HG1 THR 58 11.095 -9.158 -9.706 457 HG21 THR 58 HG21 THR 58 9.781 -7.398 -10.518 458 HG22 THR 58 HG22 THR 58 8.124 -7.351 -9.911 459 HG23 THR 58 HG23 THR 58 8.701 -8.770 -10.783 460 H LEU 59 H LEU 59 7.936 -7.906 -6.198 461 HA LEU 59 HA LEU 59 6.133 -5.881 -6.884 462 HB2 LEU 59 HB2 LEU 59 5.474 -7.870 -5.617 463 HB3 LEU 59 HB3 LEU 59 6.501 -7.400 -4.274 464 HG LEU 59 HG LEU 59 5.017 -5.504 -3.753 465 HD11 LEU 59 HD11 LEU 59 4.205 -4.940 -6.017 466 HD12 LEU 59 HD12 LEU 59 2.868 -5.150 -4.892 467 HD13 LEU 59 HD13 LEU 59 3.248 -6.426 -6.051 468 HD21 LEU 59 HD21 LEU 59 3.492 -8.118 -4.047 469 HD22 LEU 59 HD22 LEU 59 3.079 -6.794 -2.957 470 HD23 LEU 59 HD23 LEU 59 4.572 -7.691 -2.716 471 H GLN 60 H GLN 60 8.532 -5.987 -4.251 472 HA GLN 60 HA GLN 60 7.976 -3.461 -3.119 473 HB2 GLN 60 HB2 GLN 60 9.191 -5.306 -1.943 474 HB3 GLN 60 HB3 GLN 60 10.572 -5.042 -3.004 475 HG2 GLN 60 HG2 GLN 60 10.873 -2.785 -2.089 476 HG3 GLN 60 HG3 GLN 60 9.464 -3.002 -1.050 477 HE21 GLN 60 HE21 GLN 60 9.627 -4.376 0.740 478 HE22 GLN 60 HE22 GLN 60 11.142 -4.916 1.369 479 H MET 61 H MET 61 10.347 -4.469 -5.586 480 HA MET 61 HA MET 61 11.724 -1.998 -5.783 481 HB2 MET 61 HB2 MET 61 11.512 -4.324 -7.732 482 HB3 MET 61 HB3 MET 61 12.499 -2.907 -8.063 483 HG2 MET 61 HG2 MET 61 13.799 -3.387 -5.986 484 HG3 MET 61 HG3 MET 61 12.869 -4.872 -5.792 485 HE1 MET 61 HE1 MET 61 12.621 -5.883 -8.880 486 HE2 MET 61 HE2 MET 61 13.018 -6.950 -7.533 487 HE3 MET 61 HE3 MET 61 14.037 -6.934 -8.971 488 H ALA 62 H ALA 62 8.941 -3.357 -7.558 489 HA ALA 62 HA ALA 62 8.719 -1.284 -9.500 490 HB1 ALA 62 HB1 ALA 62 7.707 -3.502 -9.831 491 HB2 ALA 62 HB2 ALA 62 6.481 -2.239 -9.948 492 HB3 ALA 62 HB3 ALA 62 6.604 -3.217 -8.482 493 H LEU 63 H LEU 63 7.115 -1.890 -6.400 494 HA LEU 63 HA LEU 63 5.470 0.344 -6.144 495 HB2 LEU 63 HB2 LEU 63 7.007 -1.201 -4.026 496 HB3 LEU 63 HB3 LEU 63 5.802 0.017 -3.638 497 HG LEU 63 HG LEU 63 5.170 -2.501 -5.225 498 HD11 LEU 63 HD11 LEU 63 5.955 -3.154 -3.005 499 HD12 LEU 63 HD12 LEU 63 4.223 -3.435 -3.158 500 HD13 LEU 63 HD13 LEU 63 4.810 -2.042 -2.248 501 HD21 LEU 63 HD21 LEU 63 3.574 -0.658 -5.589 502 HD22 LEU 63 HD22 LEU 63 3.325 -0.510 -3.847 503 HD23 LEU 63 HD23 LEU 63 2.823 -1.976 -4.693 504 H GLN 64 H GLN 64 8.881 -0.067 -5.174 505 HA GLN 64 HA GLN 64 9.319 2.459 -4.116 506 HB2 GLN 64 HB2 GLN 64 10.851 0.466 -3.900 507 HB3 GLN 64 HB3 GLN 64 11.383 0.751 -5.551 508 HG2 GLN 64 HG2 GLN 64 13.030 1.673 -4.080 509 HG3 GLN 64 HG3 GLN 64 12.192 3.017 -4.852 510 HE21 GLN 64 HE21 GLN 64 12.765 1.342 -1.862 511 HE22 GLN 64 HE22 GLN 64 12.019 2.499 -0.818 512 H VAL 65 H VAL 65 9.410 1.431 -7.544 513 HA VAL 65 HA VAL 65 10.662 3.769 -8.589 514 HB VAL 65 HB VAL 65 8.804 1.758 -9.950 515 HG11 VAL 65 HG11 VAL 65 10.578 3.854 -11.274 516 HG12 VAL 65 HG12 VAL 65 8.815 3.839 -11.259 517 HG13 VAL 65 HG13 VAL 65 9.691 2.576 -12.119 518 HG21 VAL 65 HG21 VAL 65 10.869 0.736 -9.097 519 HG22 VAL 65 HG22 VAL 65 11.844 1.929 -9.954 520 HG23 VAL 65 HG23 VAL 65 10.875 0.763 -10.859 521 H VAL 66 H VAL 66 7.357 3.017 -7.675 522 HA VAL 66 HA VAL 66 6.347 5.563 -8.807 523 HB VAL 66 HB VAL 66 4.081 4.661 -8.479 524 HG11 VAL 66 HG11 VAL 66 4.129 2.871 -10.192 525 HG12 VAL 66 HG12 VAL 66 5.876 2.711 -9.985 526 HG13 VAL 66 HG13 VAL 66 5.195 4.209 -10.623 527 HG21 VAL 66 HG21 VAL 66 3.677 2.341 -7.776 528 HG22 VAL 66 HG22 VAL 66 4.471 3.254 -6.496 529 HG23 VAL 66 HG23 VAL 66 5.402 2.113 -7.467 530 H ASN 67 H ASN 67 7.909 4.836 -6.181 531 HA ASN 67 HA ASN 67 8.290 5.843 -4.223 532 HB2 ASN 67 HB2 ASN 67 7.782 7.938 -5.560 533 HB3 ASN 67 HB3 ASN 67 6.137 7.876 -4.938 534 HD21 ASN 67 HD21 ASN 67 9.118 7.183 -3.110 535 HD22 ASN 67 HD22 ASN 67 8.938 8.490 -2.005 536 H ILE 68 H ILE 68 6.496 3.689 -4.283 537 HA ILE 68 HA ILE 68 4.866 4.159 -1.863 538 HB ILE 68 HB ILE 68 4.800 1.742 -3.749 539 HG12 ILE 68 HG12 ILE 68 3.940 3.733 -4.926 540 HG13 ILE 68 HG13 ILE 68 2.633 2.606 -4.589 541 HG21 ILE 68 HG21 ILE 68 4.114 1.182 -1.469 542 HG22 ILE 68 HG22 ILE 68 2.721 1.133 -2.548 543 HG23 ILE 68 HG23 ILE 68 2.947 2.507 -1.461 544 HD11 ILE 68 HD11 ILE 68 3.231 5.170 -3.118 545 HD12 ILE 68 HD12 ILE 68 1.959 4.026 -2.681 546 HD13 ILE 68 HD13 ILE 68 1.899 4.862 -4.230 547 H GLN 69 H GLN 69 6.206 3.861 -0.175 548 HA GLN 69 HA GLN 69 8.517 2.066 -0.376 549 HB2 GLN 69 HB2 GLN 69 8.777 4.415 0.445 550 HB3 GLN 69 HB3 GLN 69 7.755 4.031 1.828 551 HG2 GLN 69 HG2 GLN 69 9.386 2.417 2.636 552 HG3 GLN 69 HG3 GLN 69 10.386 2.657 1.203 553 HE21 GLN 69 HE21 GLN 69 11.138 2.978 3.962 554 HE22 GLN 69 HE22 GLN 69 11.681 4.606 4.134 555 H THR 70 H THR 70 9.009 0.514 1.323 556 HA THR 70 HA THR 70 6.597 -0.858 2.297 557 HB THR 70 HB THR 70 9.454 -1.884 1.951 558 HG1 THR 70 HG1 THR 70 8.047 -1.394 0.032 559 HG21 THR 70 HG21 THR 70 6.902 -3.389 2.648 560 HG22 THR 70 HG22 THR 70 8.274 -3.115 3.726 561 HG23 THR 70 HG23 THR 70 8.468 -4.126 2.294 562 H ILE 71 H ILE 71 6.108 -0.170 4.288 563 HA ILE 71 HA ILE 71 8.006 0.676 6.280 564 HB ILE 71 HB ILE 71 5.007 0.139 6.487 565 HG12 ILE 71 HG12 ILE 71 5.518 1.881 4.818 566 HG13 ILE 71 HG13 ILE 71 4.745 2.589 6.229 567 HG21 ILE 71 HG21 ILE 71 6.837 1.643 8.394 568 HG22 ILE 71 HG22 ILE 71 6.013 0.116 8.711 569 HG23 ILE 71 HG23 ILE 71 5.075 1.592 8.501 570 HD11 ILE 71 HD11 ILE 71 7.694 2.706 5.570 571 HD12 ILE 71 HD12 ILE 71 6.942 3.368 7.025 572 HD13 ILE 71 HD13 ILE 71 6.523 4.020 5.442 573 H ALA 72 H ALA 72 5.986 -2.179 5.673 574 HA ALA 72 HA ALA 72 7.859 -3.832 7.178 575 HB1 ALA 72 HB1 ALA 72 6.047 -4.916 8.484 576 HB2 ALA 72 HB2 ALA 72 4.896 -3.733 7.860 577 HB3 ALA 72 HB3 ALA 72 6.225 -3.209 8.896 578 H MET 73 H MET 73 7.632 -6.098 6.657 579 HA MET 73 HA MET 73 5.733 -6.968 4.658 580 HB2 MET 73 HB2 MET 73 7.470 -5.933 3.220 581 HB3 MET 73 HB3 MET 73 8.718 -6.899 3.994 582 HG2 MET 73 HG2 MET 73 7.804 -8.930 3.051 583 HG3 MET 73 HG3 MET 73 6.420 -8.058 2.399 584 HE1 MET 73 HE1 MET 73 7.598 -5.456 1.042 585 HE2 MET 73 HE2 MET 73 6.492 -6.557 0.219 586 HE3 MET 73 HE3 MET 73 7.983 -6.050 -0.575 587 H SER 74 H SER 74 5.196 -8.985 5.146 588 HA SER 74 HA SER 74 6.559 -10.646 7.017 589 HB2 SER 74 HB2 SER 74 4.096 -10.741 6.710 590 HB3 SER 74 HB3 SER 74 4.313 -11.320 5.060 591 HG SER 74 HG SER 74 4.493 -13.258 5.839 592 H ARG 75 H ARG 75 7.177 -12.946 6.428 593 HA ARG 75 HA ARG 75 9.325 -12.856 4.544 594 HB2 ARG 75 HB2 ARG 75 8.165 -15.126 6.211 595 HB3 ARG 75 HB3 ARG 75 9.575 -15.329 5.174 596 HG2 ARG 75 HG2 ARG 75 10.804 -13.652 6.491 597 HG3 ARG 75 HG3 ARG 75 9.382 -13.404 7.511 598 HD2 ARG 75 HD2 ARG 75 11.040 -14.882 8.592 599 HD3 ARG 75 HD3 ARG 75 9.511 -15.721 8.306 600 HE ARG 75 HE ARG 75 11.409 -16.097 6.180 601 HH11 ARG 75 HH11 ARG 75 10.536 -17.324 9.361 602 HH12 ARG 75 HH12 ARG 75 11.253 -18.873 9.090 603 HH21 ARG 75 HH21 ARG 75 12.318 -18.150 5.840 604 HH22 ARG 75 HH22 ARG 75 12.263 -19.342 7.098 605 H ALA 76 H ALA 76 9.519 -13.778 2.565 606 HA ALA 76 HA ALA 76 7.287 -14.394 0.926 607 HB1 ALA 76 HB1 ALA 76 9.409 -13.527 0.016 608 HB2 ALA 76 HB2 ALA 76 8.972 -15.051 -0.753 609 HB3 ALA 76 HB3 ALA 76 10.236 -15.013 0.481 610 H GLY 77 H GLY 77 6.318 -16.318 0.524 611 HA2 GLY 77 HA2 GLY 77 6.077 -18.662 0.445 612 HA3 GLY 77 HA3 GLY 77 7.451 -18.856 1.525 613 H SER 78 H SER 78 6.147 -16.606 3.231 614 HA SER 78 HA SER 78 4.489 -18.384 4.874 615 HB2 SER 78 HB2 SER 78 6.247 -16.978 5.943 616 HB3 SER 78 HB3 SER 78 5.428 -15.522 5.383 617 HG SER 78 HG SER 78 4.868 -15.981 7.527 618 H ARG 79 H ARG 79 2.344 -18.453 4.503 619 HA ARG 79 HA ARG 79 0.894 -16.033 3.611 620 HB2 ARG 79 HB2 ARG 79 0.403 -18.893 2.675 621 HB3 ARG 79 HB3 ARG 79 -0.605 -17.508 2.251 622 HG2 ARG 79 HG2 ARG 79 1.239 -16.484 1.023 623 HG3 ARG 79 HG3 ARG 79 2.341 -17.756 1.554 624 HD2 ARG 79 HD2 ARG 79 1.765 -18.300 -0.677 625 HD3 ARG 79 HD3 ARG 79 0.829 -19.407 0.328 626 HE ARG 79 HE ARG 79 -0.828 -17.249 -0.155 627 HH11 ARG 79 HH11 ARG 79 0.834 -19.636 -2.105 628 HH12 ARG 79 HH12 ARG 79 -0.321 -19.601 -3.389 629 HH21 ARG 79 HH21 ARG 79 -2.354 -17.202 -1.881 630 HH22 ARG 79 HH22 ARG 79 -2.126 -18.223 -3.261 631 HA PRO 80 HA PRO 80 -1.527 -15.505 3.431 632 HB2 PRO 80 HB2 PRO 80 -2.934 -13.739 4.934 633 HB3 PRO 80 HB3 PRO 80 -3.582 -15.340 4.518 634 HG2 PRO 80 HG2 PRO 80 -2.296 -14.433 7.075 635 HG3 PRO 80 HG3 PRO 80 -3.760 -15.415 6.831 636 HD2 PRO 80 HD2 PRO 80 -1.302 -16.492 7.419 637 HD3 PRO 80 HD3 PRO 80 -2.563 -17.365 6.523 638 H TRP 81 H TRP 81 0.034 -14.268 2.663 639 HA TRP 81 HA TRP 81 2.066 -13.031 4.269 640 HB2 TRP 81 HB2 TRP 81 2.594 -13.990 2.064 641 HB3 TRP 81 HB3 TRP 81 1.464 -12.896 1.276 642 HD1 TRP 81 HD1 TRP 81 4.949 -12.878 2.972 643 HE1 TRP 81 HE1 TRP 81 6.213 -10.785 2.181 644 HE3 TRP 81 HE3 TRP 81 1.178 -10.579 0.396 645 HZ2 TRP 81 HZ2 TRP 81 5.686 -8.478 0.644 646 HZ3 TRP 81 HZ3 TRP 81 1.645 -8.433 -0.713 647 HH2 TRP 81 HH2 TRP 81 3.855 -7.405 -0.585 648 H LYS 82 H LYS 82 2.177 -10.906 4.923 649 HA LYS 82 HA LYS 82 0.334 -8.961 3.674 650 HB2 LYS 82 HB2 LYS 82 -0.592 -9.662 5.861 651 HB3 LYS 82 HB3 LYS 82 0.904 -9.193 6.657 652 HG2 LYS 82 HG2 LYS 82 0.523 -6.870 6.210 653 HG3 LYS 82 HG3 LYS 82 -0.833 -7.227 5.137 654 HD2 LYS 82 HD2 LYS 82 -0.797 -7.830 8.123 655 HD3 LYS 82 HD3 LYS 82 -1.508 -6.385 7.405 656 HE2 LYS 82 HE2 LYS 82 -3.043 -7.857 6.086 657 HE3 LYS 82 HE3 LYS 82 -2.400 -9.252 6.961 658 HZ1 LYS 82 HZ1 LYS 82 -3.184 -8.264 9.016 659 HZ2 LYS 82 HZ2 LYS 82 -4.461 -8.439 7.921 660 HZ3 LYS 82 HZ3 LYS 82 -3.769 -6.914 8.180 661 H ALA 83 H ALA 83 0.983 -6.767 3.769 662 HA ALA 83 HA ALA 83 3.705 -6.083 4.514 663 HB1 ALA 83 HB1 ALA 83 4.025 -6.880 2.203 664 HB2 ALA 83 HB2 ALA 83 4.265 -5.137 2.295 665 HB3 ALA 83 HB3 ALA 83 2.764 -5.788 1.627 666 H TYR 84 H TYR 84 3.873 -3.942 4.938 667 HA TYR 84 HA TYR 84 1.459 -2.250 4.755 668 HB2 TYR 84 HB2 TYR 84 3.717 -2.247 6.806 669 HB3 TYR 84 HB3 TYR 84 2.420 -1.053 6.750 670 HD1 TYR 84 HD1 TYR 84 -0.049 -2.417 6.454 671 HD2 TYR 84 HD2 TYR 84 3.397 -3.791 8.556 672 HE1 TYR 84 HE1 TYR 84 -1.468 -3.840 7.842 673 HE2 TYR 84 HE2 TYR 84 1.978 -5.214 9.947 674 HH TYR 84 HH TYR 84 -0.300 -5.362 10.682 675 H LEU 85 H LEU 85 1.668 -0.655 3.367 676 HA LEU 85 HA LEU 85 4.320 0.296 2.476 677 HB2 LEU 85 HB2 LEU 85 1.690 0.289 0.938 678 HB3 LEU 85 HB3 LEU 85 3.273 0.735 0.318 679 HG LEU 85 HG LEU 85 2.466 -2.064 1.179 680 HD11 LEU 85 HD11 LEU 85 2.748 -0.891 -1.605 681 HD12 LEU 85 HD12 LEU 85 1.249 -1.405 -0.822 682 HD13 LEU 85 HD13 LEU 85 2.481 -2.595 -1.230 683 HD21 LEU 85 HD21 LEU 85 5.028 -1.093 -0.151 684 HD22 LEU 85 HD22 LEU 85 4.589 -2.781 0.112 685 HD23 LEU 85 HD23 LEU 85 4.872 -1.726 1.493 686 H SER 86 H SER 86 4.571 2.575 2.281 687 HA SER 86 HA SER 86 2.252 4.270 2.854 688 HB2 SER 86 HB2 SER 86 3.353 3.933 5.066 689 HB3 SER 86 HB3 SER 86 4.857 4.579 4.412 690 HG SER 86 HG SER 86 2.380 5.950 4.644 691 H ALA 87 H ALA 87 2.379 6.291 2.078 692 HA ALA 87 HA ALA 87 4.707 7.222 0.555 693 HB1 ALA 87 HB1 ALA 87 1.941 6.875 -0.684 694 HB2 ALA 87 HB2 ALA 87 3.388 5.955 -1.105 695 HB3 ALA 87 HB3 ALA 87 3.315 7.683 -1.448 696 H GLN 88 H GLN 88 4.469 9.538 0.076 697 HA GLN 88 HA GLN 88 2.379 10.982 1.542 698 HB2 GLN 88 HB2 GLN 88 4.063 10.626 3.261 699 HB3 GLN 88 HB3 GLN 88 5.361 11.126 2.189 700 HG2 GLN 88 HG2 GLN 88 4.835 12.817 3.890 701 HG3 GLN 88 HG3 GLN 88 4.614 13.421 2.253 702 HE21 GLN 88 HE21 GLN 88 2.527 13.883 1.534 703 HE22 GLN 88 HE22 GLN 88 1.180 13.989 2.588 704 H ASP 89 H ASP 89 1.646 12.482 0.163 705 HA ASP 89 HA ASP 89 3.336 13.269 -2.119 706 HB2 ASP 89 HB2 ASP 89 1.425 13.425 -3.419 707 HB3 ASP 89 HB3 ASP 89 0.908 12.217 -2.261 708 H ASP 90 H ASP 90 2.513 15.500 -3.047 709 HA ASP 90 HA ASP 90 3.806 17.461 -1.517 710 HB2 ASP 90 HB2 ASP 90 3.784 17.546 -3.947 711 HB3 ASP 90 HB3 ASP 90 2.025 17.622 -3.989 712 H THR 91 H THR 91 0.329 16.676 -1.819 713 HA THR 91 HA THR 91 -0.568 19.204 -0.773 714 HB THR 91 HB THR 91 -2.829 18.323 -0.848 715 HG1 THR 91 HG1 THR 91 -1.795 15.771 -1.536 716 HG21 THR 91 HG21 THR 91 -1.858 18.954 -3.044 717 HG22 THR 91 HG22 THR 91 -3.025 17.639 -3.204 718 HG23 THR 91 HG23 THR 91 -1.295 17.297 -3.267 719 H GLY 92 H GLY 92 0.674 16.372 0.652 720 HA2 GLY 92 HA2 GLY 92 1.302 16.272 2.923 721 HA3 GLY 92 HA3 GLY 92 0.045 17.431 3.333 722 H CYS 93 H CYS 93 -0.892 14.820 1.246 723 HA CYS 93 HA CYS 93 -2.433 13.558 3.366 724 HB2 CYS 93 HB2 CYS 93 -2.148 12.770 0.441 725 HB3 CYS 93 HB3 CYS 93 -3.303 12.089 1.584 726 HG CYS 93 HG CYS 93 -3.453 14.884 -0.187 727 H LEU 94 H LEU 94 -1.625 12.030 4.613 728 HA LEU 94 HA LEU 94 0.802 10.537 3.942 729 HB2 LEU 94 HB2 LEU 94 0.270 11.697 6.230 730 HB3 LEU 94 HB3 LEU 94 -0.858 10.384 6.504 731 HG LEU 94 HG LEU 94 1.293 10.068 7.696 732 HD11 LEU 94 HD11 LEU 94 -0.031 8.078 7.022 733 HD12 LEU 94 HD12 LEU 94 1.692 7.752 7.138 734 HD13 LEU 94 HD13 LEU 94 0.944 7.952 5.554 735 HD21 LEU 94 HD21 LEU 94 2.577 9.910 4.943 736 HD22 LEU 94 HD22 LEU 94 3.372 9.554 6.478 737 HD23 LEU 94 HD23 LEU 94 2.817 11.190 6.138 738 H PHE 95 H PHE 95 0.558 8.588 2.998 739 HA PHE 95 HA PHE 95 -2.111 7.327 2.821 740 HB2 PHE 95 HB2 PHE 95 0.304 7.113 0.968 741 HB3 PHE 95 HB3 PHE 95 -1.184 6.189 0.770 742 HD1 PHE 95 HD1 PHE 95 -3.294 7.336 0.104 743 HD2 PHE 95 HD2 PHE 95 0.412 9.463 0.306 744 HE1 PHE 95 HE1 PHE 95 -4.265 9.152 -1.232 745 HE2 PHE 95 HE2 PHE 95 -0.565 11.273 -1.035 746 HZ PHE 95 HZ PHE 95 -2.901 11.122 -1.805 747 H LEU 96 H LEU 96 -2.394 5.396 3.751 748 HA LEU 96 HA LEU 96 -0.070 3.657 4.387 749 HB2 LEU 96 HB2 LEU 96 -2.736 3.798 5.869 750 HB3 LEU 96 HB3 LEU 96 -1.333 2.846 6.327 751 HG LEU 96 HG LEU 96 -1.355 5.885 6.301 752 HD11 LEU 96 HD11 LEU 96 -1.778 4.077 8.697 753 HD12 LEU 96 HD12 LEU 96 -3.019 5.059 7.913 754 HD13 LEU 96 HD13 LEU 96 -1.656 5.841 8.706 755 HD21 LEU 96 HD21 LEU 96 0.892 4.930 6.139 756 HD22 LEU 96 HD22 LEU 96 0.591 3.933 7.566 757 HD23 LEU 96 HD23 LEU 96 0.651 5.690 7.710 758 H THR 97 H THR 97 -0.176 1.710 3.355 759 HA THR 97 HA THR 97 -2.743 0.690 2.304 760 HB THR 97 HB THR 97 -0.025 0.488 0.915 761 HG1 THR 97 HG1 THR 97 -1.941 2.460 0.907 762 HG21 THR 97 HG21 THR 97 -2.817 -0.198 -0.121 763 HG22 THR 97 HG22 THR 97 -1.573 -1.369 0.319 764 HG23 THR 97 HG23 THR 97 -1.317 -0.290 -1.050 765 H GLU 98 H GLU 98 -3.078 -1.497 2.481 766 HA GLU 98 HA GLU 98 -0.996 -3.208 3.722 767 HB2 GLU 98 HB2 GLU 98 -2.771 -2.674 5.344 768 HB3 GLU 98 HB3 GLU 98 -4.011 -3.164 4.201 769 HG2 GLU 98 HG2 GLU 98 -3.103 -5.498 4.309 770 HG3 GLU 98 HG3 GLU 98 -1.992 -4.959 5.569 771 H LEU 99 H LEU 99 -0.379 -4.707 2.292 772 HA LEU 99 HA LEU 99 -2.239 -5.775 0.262 773 HB2 LEU 99 HB2 LEU 99 0.758 -6.277 0.587 774 HB3 LEU 99 HB3 LEU 99 -0.253 -6.808 -0.750 775 HG LEU 99 HG LEU 99 0.604 -3.962 -0.120 776 HD11 LEU 99 HD11 LEU 99 2.333 -5.321 -1.204 777 HD12 LEU 99 HD12 LEU 99 1.737 -4.085 -2.309 778 HD13 LEU 99 HD13 LEU 99 1.211 -5.760 -2.498 779 HD21 LEU 99 HD21 LEU 99 -1.719 -3.871 -0.903 780 HD22 LEU 99 HD22 LEU 99 -1.315 -4.876 -2.299 781 HD23 LEU 99 HD23 LEU 99 -0.631 -3.256 -2.145 782 H LEU 100 H LEU 100 -3.053 -7.829 0.526 783 HA LEU 100 HA LEU 100 -1.809 -9.632 2.517 784 HB2 LEU 100 HB2 LEU 100 -3.671 -8.430 3.603 785 HB3 LEU 100 HB3 LEU 100 -4.764 -8.937 2.325 786 HG LEU 100 HG LEU 100 -4.520 -11.297 3.042 787 HD11 LEU 100 HD11 LEU 100 -2.251 -11.248 3.984 788 HD12 LEU 100 HD12 LEU 100 -3.402 -11.884 5.154 789 HD13 LEU 100 HD13 LEU 100 -2.808 -10.231 5.316 790 HD21 LEU 100 HD21 LEU 100 -5.790 -11.110 5.151 791 HD22 LEU 100 HD22 LEU 100 -6.363 -9.964 3.946 792 HD23 LEU 100 HD23 LEU 100 -5.345 -9.406 5.277 793 H LEU 101 H LEU 101 -1.195 -11.395 1.351 794 HA LEU 101 HA LEU 101 -2.710 -12.256 -1.007 795 HB2 LEU 101 HB2 LEU 101 -0.307 -11.946 -1.397 796 HB3 LEU 101 HB3 LEU 101 0.091 -12.918 0.010 797 HG LEU 101 HG LEU 101 -0.853 -14.934 -1.153 798 HD11 LEU 101 HD11 LEU 101 -1.304 -14.872 -3.565 799 HD12 LEU 101 HD12 LEU 101 -1.095 -13.120 -3.573 800 HD13 LEU 101 HD13 LEU 101 -2.429 -13.849 -2.675 801 HD21 LEU 101 HD21 LEU 101 1.042 -15.258 -2.708 802 HD22 LEU 101 HD22 LEU 101 1.570 -14.518 -1.200 803 HD23 LEU 101 HD23 LEU 101 1.397 -13.528 -2.651 804 H GLU 102 H GLU 102 -4.168 -13.736 -0.580 805 HA GLU 102 HA GLU 102 -4.636 -14.950 1.902 806 HB2 GLU 102 HB2 GLU 102 -5.761 -15.653 -0.847 807 HB3 GLU 102 HB3 GLU 102 -6.457 -16.157 0.695 808 HG2 GLU 102 HG2 GLU 102 -6.787 -13.729 1.266 809 HG3 GLU 102 HG3 GLU 102 -6.223 -13.319 -0.354 810 HA PRO 103 HA PRO 103 -2.158 -18.670 1.882 811 HB2 PRO 103 HB2 PRO 103 -4.414 -20.195 3.144 812 HB3 PRO 103 HB3 PRO 103 -2.807 -19.812 3.798 813 HG2 PRO 103 HG2 PRO 103 -4.998 -18.608 4.728 814 HG3 PRO 103 HG3 PRO 103 -3.454 -17.739 4.573 815 HD2 PRO 103 HD2 PRO 103 -5.856 -17.644 2.748 816 HD3 PRO 103 HD3 PRO 103 -4.838 -16.313 3.346 817 H GLY 104 H GLY 104 -5.560 -19.589 1.206 818 HA2 GLY 104 HA2 GLY 104 -4.734 -21.774 -0.549 819 HA3 GLY 104 HA3 GLY 104 -6.369 -21.383 -0.034 820 H ASN 105 H ASN 105 -6.232 -18.606 -0.796 821 HA ASN 105 HA ASN 105 -6.856 -18.939 -3.639 822 HB2 ASN 105 HB2 ASN 105 -7.444 -16.727 -1.635 823 HB3 ASN 105 HB3 ASN 105 -7.768 -16.533 -3.353 824 HD21 ASN 105 HD21 ASN 105 -9.479 -17.625 -4.273 825 HD22 ASN 105 HD22 ASN 105 -10.662 -18.494 -3.356 826 H SER 106 H SER 106 -5.790 -17.949 -5.266 827 HA SER 106 HA SER 106 -3.229 -16.655 -4.817 828 HB2 SER 106 HB2 SER 106 -4.670 -17.231 -7.452 829 HB3 SER 106 HB3 SER 106 -2.958 -16.861 -7.244 830 HG SER 106 HG SER 106 -4.309 -19.226 -6.950 831 H GLU 107 H GLU 107 -4.845 -15.006 -3.635 832 HA GLU 107 HA GLU 107 -5.510 -12.803 -5.471 833 HB2 GLU 107 HB2 GLU 107 -7.383 -14.232 -3.573 834 HB3 GLU 107 HB3 GLU 107 -7.551 -12.493 -3.707 835 HG2 GLU 107 HG2 GLU 107 -9.145 -13.549 -5.145 836 HG3 GLU 107 HG3 GLU 107 -7.952 -12.704 -6.121 837 H MET 108 H MET 108 -5.257 -10.773 -4.549 838 HA MET 108 HA MET 108 -4.047 -10.656 -1.858 839 HB2 MET 108 HB2 MET 108 -2.323 -10.279 -3.624 840 HB3 MET 108 HB3 MET 108 -3.279 -8.960 -4.281 841 HG2 MET 108 HG2 MET 108 -2.962 -7.657 -2.266 842 HG3 MET 108 HG3 MET 108 -2.133 -8.998 -1.476 843 HE1 MET 108 HE1 MET 108 -0.206 -10.147 -3.721 844 HE2 MET 108 HE2 MET 108 0.315 -9.796 -2.072 845 HE3 MET 108 HE3 MET 108 1.247 -9.187 -3.438 846 H GLN 109 H GLN 109 -4.943 -9.159 -0.521 847 HA GLN 109 HA GLN 109 -7.244 -7.602 -1.482 848 HB2 GLN 109 HB2 GLN 109 -6.454 -8.436 1.353 849 HB3 GLN 109 HB3 GLN 109 -7.927 -7.570 0.910 850 HG2 GLN 109 HG2 GLN 109 -8.702 -9.522 -0.383 851 HG3 GLN 109 HG3 GLN 109 -7.208 -10.376 -0.012 852 HE21 GLN 109 HE21 GLN 109 -6.909 -11.203 2.069 853 HE22 GLN 109 HE22 GLN 109 -8.206 -11.382 3.195 854 H ILE 110 H ILE 110 -6.986 -5.454 -1.619 855 HA ILE 110 HA ILE 110 -4.542 -4.174 -0.538 856 HB ILE 110 HB ILE 110 -6.220 -3.487 -3.020 857 HG12 ILE 110 HG12 ILE 110 -3.994 -3.717 -4.226 858 HG13 ILE 110 HG13 ILE 110 -3.276 -4.268 -2.723 859 HG21 ILE 110 HG21 ILE 110 -4.725 -1.542 -3.389 860 HG22 ILE 110 HG22 ILE 110 -3.954 -1.842 -1.828 861 HG23 ILE 110 HG23 ILE 110 -5.656 -1.385 -1.899 862 HD11 ILE 110 HD11 ILE 110 -5.481 -5.697 -4.203 863 HD12 ILE 110 HD12 ILE 110 -4.615 -6.274 -2.777 864 HD13 ILE 110 HD13 ILE 110 -3.761 -6.073 -4.304 865 H SER 111 H SER 111 -4.970 -2.935 1.176 866 HA SER 111 HA SER 111 -7.605 -1.604 1.449 867 HB2 SER 111 HB2 SER 111 -7.046 -3.328 3.197 868 HB3 SER 111 HB3 SER 111 -5.647 -2.359 3.661 869 HG SER 111 HG SER 111 -7.400 -1.876 4.990 870 H VAL 112 H VAL 112 -7.373 0.438 0.796 871 HA VAL 112 HA VAL 112 -4.893 1.969 1.249 872 HB VAL 112 HB VAL 112 -7.336 2.737 -0.448 873 HG11 VAL 112 HG11 VAL 112 -5.825 4.438 -1.449 874 HG12 VAL 112 HG12 VAL 112 -4.545 3.958 -0.330 875 HG13 VAL 112 HG13 VAL 112 -6.033 4.681 0.286 876 HG21 VAL 112 HG21 VAL 112 -5.990 2.119 -2.441 877 HG22 VAL 112 HG22 VAL 112 -6.293 0.728 -1.401 878 HG23 VAL 112 HG23 VAL 112 -4.709 1.508 -1.389 879 H LYS 113 H LYS 113 -4.898 3.299 2.955 880 HA LYS 113 HA LYS 113 -7.313 4.631 3.947 881 HB2 LYS 113 HB2 LYS 113 -7.235 2.613 5.281 882 HB3 LYS 113 HB3 LYS 113 -5.490 2.705 5.461 883 HG2 LYS 113 HG2 LYS 113 -5.807 4.740 6.880 884 HG3 LYS 113 HG3 LYS 113 -7.549 4.470 6.796 885 HD2 LYS 113 HD2 LYS 113 -5.476 2.580 7.978 886 HD3 LYS 113 HD3 LYS 113 -6.629 3.561 8.878 887 HE2 LYS 113 HE2 LYS 113 -8.490 2.268 7.834 888 HE3 LYS 113 HE3 LYS 113 -7.299 1.243 7.033 889 HZ1 LYS 113 HZ1 LYS 113 -7.592 1.559 9.974 890 HZ2 LYS 113 HZ2 LYS 113 -6.509 0.526 9.187 891 HZ3 LYS 113 HZ3 LYS 113 -8.172 0.256 9.066 892 H GLN 114 H GLN 114 -6.529 6.703 3.502 893 HA GLN 114 HA GLN 114 -3.890 7.435 4.588 894 HB2 GLN 114 HB2 GLN 114 -4.061 9.490 3.207 895 HB3 GLN 114 HB3 GLN 114 -4.073 8.020 2.252 896 HG2 GLN 114 HG2 GLN 114 -6.693 9.310 2.959 897 HG3 GLN 114 HG3 GLN 114 -5.693 10.038 1.708 898 HE21 GLN 114 HE21 GLN 114 -7.164 9.624 0.084 899 HE22 GLN 114 HE22 GLN 114 -7.478 8.042 -0.513 900 H ASN 115 H ASN 115 -3.827 9.761 5.367 901 HA ASN 115 HA ASN 115 -5.220 9.852 7.820 902 HB2 ASN 115 HB2 ASN 115 -4.001 11.889 8.286 903 HB3 ASN 115 HB3 ASN 115 -2.921 10.800 7.427 904 HD21 ASN 115 HD21 ASN 115 -3.988 11.377 4.743 905 HD22 ASN 115 HD22 ASN 115 -3.541 12.999 4.374 906 H GLU 116 H GLU 116 -5.724 11.551 4.786 907 HA GLU 116 HA GLU 116 -8.479 12.223 5.489 908 HB2 GLU 116 HB2 GLU 116 -6.490 14.257 4.349 909 HB3 GLU 116 HB3 GLU 116 -8.228 14.522 4.483 910 HG2 GLU 116 HG2 GLU 116 -8.067 14.443 6.933 911 HG3 GLU 116 HG3 GLU 116 -6.343 14.097 6.824 912 H ALA 117 H ALA 117 -9.639 11.352 3.849 913 HA ALA 117 HA ALA 117 -8.342 10.549 1.363 914 HB1 ALA 117 HB1 ALA 117 -9.765 8.933 2.530 915 HB2 ALA 117 HB2 ALA 117 -10.410 9.289 0.925 916 HB3 ALA 117 HB3 ALA 117 -11.157 10.003 2.360 917 H ARG 118 H ARG 118 -8.276 11.964 -0.303 918 HA ARG 118 HA ARG 118 -10.609 13.713 -0.865 919 HB2 ARG 118 HB2 ARG 118 -8.491 14.919 -0.632 920 HB3 ARG 118 HB3 ARG 118 -7.694 13.822 -1.750 921 HG2 ARG 118 HG2 ARG 118 -9.125 14.669 -3.581 922 HG3 ARG 118 HG3 ARG 118 -9.878 15.799 -2.452 923 HD2 ARG 118 HD2 ARG 118 -7.717 16.895 -2.079 924 HD3 ARG 118 HD3 ARG 118 -6.921 15.729 -3.147 925 HE ARG 118 HE ARG 118 -9.080 17.455 -4.172 926 HH11 ARG 118 HH11 ARG 118 -5.696 16.513 -4.255 927 HH12 ARG 118 HH12 ARG 118 -5.361 17.404 -5.701 928 HH21 ARG 118 HH21 ARG 118 -8.631 18.647 -6.023 929 HH22 ARG 118 HH22 ARG 118 -7.041 18.626 -6.707 930 H THR 119 H THR 119 -11.371 13.725 -3.135 931 HA THR 119 HA THR 119 -11.802 11.176 -4.180 932 HB THR 119 HB THR 119 -12.092 13.848 -5.623 933 HG1 THR 119 HG1 THR 119 -13.394 12.805 -3.470 934 HG21 THR 119 HG21 THR 119 -13.541 11.211 -6.072 935 HG22 THR 119 HG22 THR 119 -12.360 11.936 -7.161 936 HG23 THR 119 HG23 THR 119 -13.908 12.733 -6.887 937 H GLU 120 H GLU 120 -9.693 13.799 -5.467 938 HA GLU 120 HA GLU 120 -8.659 12.390 -7.668 939 HB2 GLU 120 HB2 GLU 120 -8.431 14.855 -7.448 940 HB3 GLU 120 HB3 GLU 120 -7.314 14.637 -6.101 941 HG2 GLU 120 HG2 GLU 120 -5.770 13.394 -7.670 942 HG3 GLU 120 HG3 GLU 120 -6.854 13.824 -8.994 943 H THR 121 H THR 121 -7.300 12.819 -4.391 944 HA THR 121 HA THR 121 -4.829 11.556 -4.959 945 HB THR 121 HB THR 121 -4.477 11.530 -2.474 946 HG1 THR 121 HG1 THR 121 -6.204 12.755 -1.298 947 HG21 THR 121 HG21 THR 121 -5.528 14.166 -3.553 948 HG22 THR 121 HG22 THR 121 -3.890 13.541 -3.788 949 HG23 THR 121 HG23 THR 121 -4.454 13.961 -2.169 950 H LEU 122 H LEU 122 -7.789 10.361 -3.335 951 HA LEU 122 HA LEU 122 -6.839 7.798 -2.681 952 HB2 LEU 122 HB2 LEU 122 -8.878 8.731 -1.665 953 HB3 LEU 122 HB3 LEU 122 -9.687 8.740 -3.225 954 HG LEU 122 HG LEU 122 -9.653 6.263 -3.274 955 HD11 LEU 122 HD11 LEU 122 -8.369 6.426 -0.527 956 HD12 LEU 122 HD12 LEU 122 -7.642 5.780 -2.002 957 HD13 LEU 122 HD13 LEU 122 -9.013 4.957 -1.266 958 HD21 LEU 122 HD21 LEU 122 -10.895 7.333 -0.712 959 HD22 LEU 122 HD22 LEU 122 -11.335 5.837 -1.546 960 HD23 LEU 122 HD23 LEU 122 -11.625 7.392 -2.321 961 H ASN 123 H ASN 123 -8.820 8.850 -5.498 962 HA ASN 123 HA ASN 123 -9.159 6.227 -6.528 963 HB2 ASN 123 HB2 ASN 123 -9.526 8.906 -7.923 964 HB3 ASN 123 HB3 ASN 123 -10.084 7.361 -8.554 965 HD21 ASN 123 HD21 ASN 123 -11.725 9.621 -8.033 966 HD22 ASN 123 HD22 ASN 123 -12.850 9.188 -6.801 967 H SER 124 H SER 124 -6.958 8.865 -7.409 968 HA SER 124 HA SER 124 -5.749 7.523 -9.608 969 HB2 SER 124 HB2 SER 124 -5.673 9.997 -9.319 970 HB3 SER 124 HB3 SER 124 -4.597 9.792 -7.936 971 HG SER 124 HG SER 124 -4.090 9.568 -10.633 972 H PHE 125 H PHE 125 -4.963 7.720 -6.155 973 HA PHE 125 HA PHE 125 -2.456 6.406 -6.172 974 HB2 PHE 125 HB2 PHE 125 -3.389 7.702 -4.243 975 HB3 PHE 125 HB3 PHE 125 -4.557 6.420 -3.959 976 HD1 PHE 125 HD2 PHE 125 -0.974 7.339 -3.755 977 HD2 PHE 125 HD1 PHE 125 -3.898 4.371 -2.809 978 HE1 PHE 125 HE2 PHE 125 0.614 6.247 -2.239 979 HE2 PHE 125 HE1 PHE 125 -2.302 3.284 -1.295 980 HZ PHE 125 HZ PHE 125 -0.039 4.219 -1.004 981 H ILE 126 H ILE 126 -5.765 5.125 -5.861 982 HA ILE 126 HA ILE 126 -5.165 2.373 -5.532 983 HB ILE 126 HB ILE 126 -7.610 3.545 -6.944 984 HG12 ILE 126 HG12 ILE 126 -7.534 2.776 -3.993 985 HG13 ILE 126 HG13 ILE 126 -7.139 4.405 -4.527 986 HG21 ILE 126 HG21 ILE 126 -7.233 0.837 -5.583 987 HG22 ILE 126 HG22 ILE 126 -7.378 1.125 -7.317 988 HG23 ILE 126 HG23 ILE 126 -8.753 1.435 -6.261 989 HD11 ILE 126 HD11 ILE 126 -9.753 2.995 -5.035 990 HD12 ILE 126 HD12 ILE 126 -9.350 4.651 -5.505 991 HD13 ILE 126 HD13 ILE 126 -9.449 4.214 -3.800 992 H SER 127 H SER 127 -5.707 4.400 -8.392 993 HA SER 127 HA SER 127 -5.570 2.411 -10.390 994 HB2 SER 127 HB2 SER 127 -4.902 5.375 -10.576 995 HB3 SER 127 HB3 SER 127 -5.175 4.312 -11.958 996 HG SER 127 HG SER 127 -7.127 4.529 -9.933 997 H VAL 128 H VAL 128 -3.036 4.318 -8.793 998 HA VAL 128 HA VAL 128 -0.808 3.526 -10.345 999 HB VAL 128 HB VAL 128 -0.906 4.221 -7.366 1000 HG11 VAL 128 HG11 VAL 128 1.529 4.068 -9.190 1001 HG12 VAL 128 HG12 VAL 128 1.152 2.972 -7.861 1002 HG13 VAL 128 HG13 VAL 128 1.530 4.658 -7.521 1003 HG21 VAL 128 HG21 VAL 128 -0.135 6.469 -8.048 1004 HG22 VAL 128 HG22 VAL 128 -1.684 6.072 -8.782 1005 HG23 VAL 128 HG23 VAL 128 -0.212 5.990 -9.748 1006 H LEU 129 H LEU 129 -2.123 2.175 -7.305 1007 HA LEU 129 HA LEU 129 -0.419 -0.041 -7.032 1008 HB2 LEU 129 HB2 LEU 129 -3.306 0.194 -6.118 1009 HB3 LEU 129 HB3 LEU 129 -2.126 -0.960 -5.503 1010 HG LEU 129 HG LEU 129 -2.000 2.064 -5.167 1011 HD11 LEU 129 HD11 LEU 129 -2.427 1.622 -2.790 1012 HD12 LEU 129 HD12 LEU 129 -2.617 -0.098 -3.139 1013 HD13 LEU 129 HD13 LEU 129 -3.757 1.073 -3.808 1014 HD21 LEU 129 HD21 LEU 129 -0.073 1.661 -3.658 1015 HD22 LEU 129 HD22 LEU 129 0.280 1.154 -5.307 1016 HD23 LEU 129 HD23 LEU 129 -0.100 -0.055 -4.079 1017 H GLU 130 H GLU 130 -3.501 0.235 -8.769 1018 HA GLU 130 HA GLU 130 -3.880 -2.499 -9.405 1019 HB2 GLU 130 HB2 GLU 130 -4.884 0.026 -10.792 1020 HB3 GLU 130 HB3 GLU 130 -5.415 -1.601 -11.218 1021 HG2 GLU 130 HG2 GLU 130 -6.369 -1.907 -8.997 1022 HG3 GLU 130 HG3 GLU 130 -5.787 -0.319 -8.499 1023 H THR 131 H THR 131 -2.175 0.146 -11.027 1024 HA THR 131 HA THR 131 -1.486 -1.267 -13.405 1025 HB THR 131 HB THR 131 0.045 1.071 -12.171 1026 HG1 THR 131 HG1 THR 131 -1.718 2.152 -12.569 1027 HG21 THR 131 HG21 THR 131 0.695 1.574 -14.491 1028 HG22 THR 131 HG22 THR 131 -0.214 0.183 -15.077 1029 HG23 THR 131 HG23 THR 131 1.216 -0.054 -14.067 1030 H VAL 132 H VAL 132 0.274 -0.673 -10.338 1031 HA VAL 132 HA VAL 132 2.731 -1.841 -11.078 1032 HB VAL 132 HB VAL 132 1.553 -1.462 -8.288 1033 HG11 VAL 132 HG11 VAL 132 4.441 -2.089 -9.044 1034 HG12 VAL 132 HG12 VAL 132 3.333 -3.155 -8.182 1035 HG13 VAL 132 HG13 VAL 132 3.874 -1.662 -7.423 1036 HG21 VAL 132 HG21 VAL 132 3.533 0.268 -9.831 1037 HG22 VAL 132 HG22 VAL 132 2.944 0.566 -8.192 1038 HG23 VAL 132 HG23 VAL 132 1.830 0.640 -9.554 1039 H ILE 133 H ILE 133 0.015 -3.219 -9.221 1040 HA ILE 133 HA ILE 133 1.125 -5.820 -8.818 1041 HB ILE 133 HB ILE 133 -1.735 -4.767 -8.690 1042 HG12 ILE 133 HG12 ILE 133 0.263 -5.445 -6.476 1043 HG13 ILE 133 HG13 ILE 133 -0.199 -3.822 -6.985 1044 HG21 ILE 133 HG21 ILE 133 -0.796 -7.522 -7.788 1045 HG22 ILE 133 HG22 ILE 133 -1.855 -7.185 -9.158 1046 HG23 ILE 133 HG23 ILE 133 -2.402 -6.838 -7.521 1047 HD11 ILE 133 HD11 ILE 133 -1.291 -4.377 -4.942 1048 HD12 ILE 133 HD12 ILE 133 -1.940 -5.863 -5.627 1049 HD13 ILE 133 HD13 ILE 133 -2.506 -4.298 -6.219 1050 H GLY 134 H GLY 134 -1.130 -4.425 -11.164 1051 HA2 GLY 134 HA2 GLY 134 -1.784 -6.728 -12.642 1052 HA3 GLY 134 HA3 GLY 134 -1.868 -5.072 -13.220 1053 H THR 135 H THR 135 0.970 -4.508 -12.949 1054 HA THR 135 HA THR 135 1.954 -5.375 -15.480 1055 HB THR 135 HB THR 135 3.431 -4.086 -13.139 1056 HG1 THR 135 HG1 THR 135 2.453 -2.350 -13.814 1057 HG21 THR 135 HG21 THR 135 5.059 -5.156 -14.687 1058 HG22 THR 135 HG22 THR 135 5.160 -3.395 -14.750 1059 HG23 THR 135 HG23 THR 135 4.340 -4.277 -16.039 1060 H ILE 136 H ILE 136 2.222 -6.610 -12.261 1061 HA ILE 136 HA ILE 136 4.515 -8.340 -12.700 1062 HB ILE 136 HB ILE 136 2.578 -8.034 -10.362 1063 HG12 ILE 136 HG12 ILE 136 5.456 -7.025 -10.642 1064 HG13 ILE 136 HG13 ILE 136 4.026 -6.025 -10.887 1065 HG21 ILE 136 HG21 ILE 136 4.181 -9.316 -9.001 1066 HG22 ILE 136 HG22 ILE 136 5.190 -9.593 -10.423 1067 HG23 ILE 136 HG23 ILE 136 3.570 -10.287 -10.339 1068 HD11 ILE 136 HD11 ILE 136 4.936 -5.615 -8.724 1069 HD12 ILE 136 HD12 ILE 136 4.904 -7.330 -8.327 1070 HD13 ILE 136 HD13 ILE 136 3.390 -6.444 -8.535 1071 H GLU 137 H GLU 137 1.032 -8.444 -12.814 1072 HA GLU 137 HA GLU 137 0.761 -11.311 -12.921 1073 HB2 GLU 137 HB2 GLU 137 -1.185 -9.102 -13.700 1074 HB3 GLU 137 HB3 GLU 137 -1.581 -10.819 -13.624 1075 HG2 GLU 137 HG2 GLU 137 -0.946 -10.732 -11.154 1076 HG3 GLU 137 HG3 GLU 137 -0.889 -8.973 -11.322 1077 H GLU 138 H GLU 138 0.301 -8.730 -15.384 1078 HA GLU 138 HA GLU 138 1.115 -10.247 -17.652 1079 HB2 GLU 138 HB2 GLU 138 -1.206 -10.688 -18.553 1080 HB3 GLU 138 HB3 GLU 138 -0.830 -11.616 -17.102 1081 HG2 GLU 138 HG2 GLU 138 -2.055 -9.825 -15.764 1082 HG3 GLU 138 HG3 GLU 138 -2.591 -9.150 -17.298 1083 H ILE 139 H ILE 139 0.931 -7.422 -16.384 1084 HA ILE 139 HA ILE 139 0.326 -5.291 -16.675 1085 HB ILE 139 HB ILE 139 0.770 -6.020 -19.602 1086 HG12 ILE 139 HG12 ILE 139 2.874 -4.627 -19.251 1087 HG13 ILE 139 HG13 ILE 139 2.476 -4.524 -17.547 1088 HG21 ILE 139 HG21 ILE 139 0.835 -3.582 -20.118 1089 HG22 ILE 139 HG22 ILE 139 0.285 -3.230 -18.477 1090 HG23 ILE 139 HG23 ILE 139 -0.764 -4.108 -19.590 1091 HD11 ILE 139 HD11 ILE 139 4.211 -6.168 -18.028 1092 HD12 ILE 139 HD12 ILE 139 3.095 -7.065 -19.055 1093 HD13 ILE 139 HD13 ILE 139 2.786 -6.924 -17.322 1094 H LYS 140 H LYS 140 -1.639 -5.054 -15.871 1095 HA LYS 140 HA LYS 140 -3.984 -6.297 -16.955 1096 HB2 LYS 140 HB2 LYS 140 -3.201 -5.410 -14.413 1097 HB3 LYS 140 HB3 LYS 140 -4.427 -4.241 -14.848 1098 HG2 LYS 140 HG2 LYS 140 -5.538 -5.944 -13.631 1099 HG3 LYS 140 HG3 LYS 140 -5.980 -6.200 -15.322 1100 HD2 LYS 140 HD2 LYS 140 -4.291 -8.016 -15.497 1101 HD3 LYS 140 HD3 LYS 140 -3.816 -7.734 -13.815 1102 HE2 LYS 140 HE2 LYS 140 -6.124 -8.322 -13.089 1103 HE3 LYS 140 HE3 LYS 140 -6.551 -8.679 -14.764 1104 HZ1 LYS 140 HZ1 LYS 140 -4.719 -10.360 -14.710 1105 HZ2 LYS 140 HZ2 LYS 140 -6.037 -10.706 -13.717 1106 HZ3 LYS 140 HZ3 LYS 140 -4.610 -10.102 -13.041 1107 H SER 141 H SER 141 -3.675 -2.838 -16.014 1108 HA SER 141 HA SER 141 -4.848 -1.986 -18.577 1109 HB2 SER 141 HB2 SER 141 -6.039 -1.286 -15.849 1110 HB3 SER 141 HB3 SER 141 -6.582 -0.645 -17.403 1111 HG SER 141 HG SER 141 -6.704 -3.323 -16.478 Start of MODEL 4 1 H1 MET 1 H1 MET 1 1.623 24.754 9.446 2 H2 MET 1 H2 MET 1 0.431 25.940 9.595 3 H3 MET 1 H3 MET 1 2.031 26.303 9.976 4 HA MET 1 HA MET 1 2.715 26.055 7.733 5 HB2 MET 1 HB2 MET 1 1.082 24.264 7.152 6 HB3 MET 1 HB3 MET 1 -0.219 25.445 7.167 7 HG2 MET 1 HG2 MET 1 0.857 26.616 5.257 8 HG3 MET 1 HG3 MET 1 2.115 25.379 5.227 9 HE1 MET 1 HE1 MET 1 0.305 22.764 5.950 10 HE2 MET 1 HE2 MET 1 1.596 22.792 4.747 11 HE3 MET 1 HE3 MET 1 -0.000 22.184 4.314 12 H GLY 2 H GLY 2 2.862 27.957 6.571 13 HA2 GLY 2 HA2 GLY 2 1.862 30.019 5.698 14 HA3 GLY 2 HA3 GLY 2 1.011 30.197 7.232 15 H HIS 3 H HIS 3 4.329 29.750 5.969 16 HA HIS 3 HA HIS 3 5.586 30.681 8.352 17 HB2 HIS 3 HB2 HIS 3 7.723 30.434 7.127 18 HB3 HIS 3 HB3 HIS 3 6.696 29.023 6.930 19 HD1 HIS 3 HD1 HIS 3 8.391 31.722 5.038 20 HD2 HIS 3 HD2 HIS 3 5.709 28.665 4.248 21 HE1 HIS 3 HE1 HIS 3 8.310 31.528 2.542 22 HE2 HIS 3 HE2 HIS 3 6.484 29.864 2.110 23 H HIS 4 H HIS 4 4.652 32.684 8.741 24 HA HIS 4 HA HIS 4 4.794 34.844 6.785 25 HB2 HIS 4 HB2 HIS 4 3.383 36.093 8.379 26 HB3 HIS 4 HB3 HIS 4 2.712 34.502 8.051 27 HD1 HIS 4 HD1 HIS 4 4.624 36.353 10.767 28 HD2 HIS 4 HD2 HIS 4 2.193 33.017 10.316 29 HE1 HIS 4 HE1 HIS 4 4.176 35.529 13.089 30 HE2 HIS 4 HE2 HIS 4 2.557 33.629 12.796 31 H HIS 5 H HIS 5 7.323 33.885 7.957 32 HA HIS 5 HA HIS 5 8.332 35.723 9.869 33 HB2 HIS 5 HB2 HIS 5 9.330 33.465 9.371 34 HB3 HIS 5 HB3 HIS 5 9.907 34.087 7.827 35 HD1 HIS 5 HD1 HIS 5 12.197 35.109 7.865 36 HD2 HIS 5 HD2 HIS 5 10.532 34.886 11.668 37 HE1 HIS 5 HE1 HIS 5 13.992 35.874 9.437 38 HE2 HIS 5 HE2 HIS 5 13.026 35.533 11.730 39 H HIS 6 H HIS 6 8.135 35.759 6.360 40 HA HIS 6 HA HIS 6 9.709 38.083 5.875 41 HB2 HIS 6 HB2 HIS 6 8.658 38.104 3.643 42 HB3 HIS 6 HB3 HIS 6 9.110 36.458 4.077 43 HD1 HIS 6 HD1 HIS 6 6.317 38.425 2.835 44 HD2 HIS 6 HD2 HIS 6 6.716 34.887 4.981 45 HE1 HIS 6 HE1 HIS 6 4.120 37.240 2.615 46 HE2 HIS 6 HE2 HIS 6 4.326 35.214 4.078 47 H HIS 7 H HIS 7 9.251 40.131 6.410 48 HA HIS 7 HA HIS 7 6.537 41.046 7.019 49 HB2 HIS 7 HB2 HIS 7 9.213 42.513 7.031 50 HB3 HIS 7 HB3 HIS 7 7.681 43.267 7.454 51 HD1 HIS 7 HD1 HIS 7 6.640 42.685 9.740 52 HD2 HIS 7 HD2 HIS 7 10.258 40.771 9.014 53 HE1 HIS 7 HE1 HIS 7 7.372 41.765 11.953 54 HE2 HIS 7 HE2 HIS 7 9.654 40.807 11.523 55 H HIS 8 H HIS 8 8.663 40.877 4.356 56 HA HIS 8 HA HIS 8 6.644 42.008 2.559 57 HB2 HIS 8 HB2 HIS 8 9.586 42.855 2.556 58 HB3 HIS 8 HB3 HIS 8 8.519 43.085 1.177 59 HD1 HIS 8 HD1 HIS 8 9.841 44.962 3.843 60 HD2 HIS 8 HD2 HIS 8 6.055 44.647 2.157 61 HE1 HIS 8 HE1 HIS 8 8.625 47.059 4.496 62 HE2 HIS 8 HE2 HIS 8 6.297 46.759 3.610 63 H SER 9 H SER 9 6.462 40.763 0.745 64 HA SER 9 HA SER 9 8.246 38.426 0.420 65 HB2 SER 9 HB2 SER 9 6.247 37.534 -0.947 66 HB3 SER 9 HB3 SER 9 5.982 37.713 0.786 67 HG SER 9 HG SER 9 4.978 39.242 -1.343 68 H HIS 10 H HIS 10 9.489 38.266 -1.372 69 HA HIS 10 HA HIS 10 9.770 40.166 -3.421 70 HB2 HIS 10 HB2 HIS 10 11.541 38.508 -2.891 71 HB3 HIS 10 HB3 HIS 10 10.506 37.195 -3.434 72 HD1 HIS 10 HD1 HIS 10 12.724 39.939 -4.696 73 HD2 HIS 10 HD2 HIS 10 10.371 36.892 -6.274 74 HE1 HIS 10 HE1 HIS 10 13.363 39.765 -7.118 75 HE2 HIS 10 HE2 HIS 10 11.885 37.966 -8.063 76 H MET 11 H MET 11 7.870 37.239 -3.190 77 HA MET 11 HA MET 11 6.632 37.545 -5.816 78 HB2 MET 11 HB2 MET 11 5.457 35.433 -5.209 79 HB3 MET 11 HB3 MET 11 7.204 35.285 -5.069 80 HG2 MET 11 HG2 MET 11 6.286 34.140 -3.207 81 HG3 MET 11 HG3 MET 11 6.926 35.658 -2.573 82 HE1 MET 11 HE1 MET 11 5.403 34.967 -0.338 83 HE2 MET 11 HE2 MET 11 4.735 33.583 -1.205 84 HE3 MET 11 HE3 MET 11 3.657 34.743 -0.431 85 H GLN 12 H GLN 12 4.136 37.191 -5.752 86 HA GLN 12 HA GLN 12 2.760 38.395 -3.441 87 HB2 GLN 12 HB2 GLN 12 3.173 40.182 -5.220 88 HB3 GLN 12 HB3 GLN 12 2.159 39.251 -6.316 89 HG2 GLN 12 HG2 GLN 12 0.247 39.530 -4.728 90 HG3 GLN 12 HG3 GLN 12 1.273 40.521 -3.694 91 HE21 GLN 12 HE21 GLN 12 -1.243 41.176 -5.084 92 HE22 GLN 12 HE22 GLN 12 -0.885 42.558 -6.060 93 H GLU 13 H GLU 13 3.161 35.809 -5.305 94 HA GLU 13 HA GLU 13 0.440 35.089 -5.944 95 HB2 GLU 13 HB2 GLU 13 1.519 32.873 -6.637 96 HB3 GLU 13 HB3 GLU 13 2.001 34.309 -7.518 97 HG2 GLU 13 HG2 GLU 13 3.990 33.106 -7.250 98 HG3 GLU 13 HG3 GLU 13 4.085 34.363 -6.020 99 H LEU 14 H LEU 14 -0.655 33.221 -5.116 100 HA LEU 14 HA LEU 14 -0.317 32.946 -2.190 101 HB2 LEU 14 HB2 LEU 14 -2.754 32.575 -3.986 102 HB3 LEU 14 HB3 LEU 14 -2.743 32.183 -2.277 103 HG LEU 14 HG LEU 14 -2.263 34.642 -1.797 104 HD11 LEU 14 HD11 LEU 14 -2.940 35.027 -4.725 105 HD12 LEU 14 HD12 LEU 14 -1.378 35.331 -3.965 106 HD13 LEU 14 HD13 LEU 14 -2.772 36.313 -3.524 107 HD21 LEU 14 HD21 LEU 14 -4.868 33.994 -3.206 108 HD22 LEU 14 HD22 LEU 14 -4.600 35.348 -2.104 109 HD23 LEU 14 HD23 LEU 14 -4.492 33.694 -1.507 110 HA PRO 15 HA PRO 15 0.686 28.551 -2.532 111 HB2 PRO 15 HB2 PRO 15 -1.250 28.018 -0.294 112 HB3 PRO 15 HB3 PRO 15 0.487 27.654 -0.390 113 HG2 PRO 15 HG2 PRO 15 -0.363 29.640 1.153 114 HG3 PRO 15 HG3 PRO 15 1.122 29.822 0.191 115 HD2 PRO 15 HD2 PRO 15 -1.635 30.905 -0.388 116 HD3 PRO 15 HD3 PRO 15 -0.051 31.707 -0.536 117 H ASP 16 H ASP 16 -0.202 27.947 -4.500 118 HA ASP 16 HA ASP 16 -2.778 26.567 -4.509 119 HB2 ASP 16 HB2 ASP 16 -3.386 28.907 -5.011 120 HB3 ASP 16 HB3 ASP 16 -2.205 28.962 -6.315 121 H SER 17 H SER 17 -1.280 24.826 -4.748 122 HA SER 17 HA SER 17 -1.197 23.941 -7.470 123 HB2 SER 17 HB2 SER 17 1.236 23.282 -7.470 124 HB3 SER 17 HB3 SER 17 1.023 25.030 -7.443 125 HG SER 17 HG SER 17 1.580 23.392 -5.183 126 H GLY 18 H GLY 18 -2.001 21.897 -7.303 127 HA2 GLY 18 HA2 GLY 18 -1.219 20.135 -5.089 128 HA3 GLY 18 HA3 GLY 18 -2.912 20.620 -5.154 129 H ALA 19 H ALA 19 -1.281 18.038 -5.618 130 HA ALA 19 HA ALA 19 -3.166 16.844 -7.440 131 HB1 ALA 19 HB1 ALA 19 -1.517 16.016 -9.103 132 HB2 ALA 19 HB2 ALA 19 -0.239 16.945 -8.315 133 HB3 ALA 19 HB3 ALA 19 -1.575 17.780 -9.108 134 H LEU 20 H LEU 20 -2.129 14.345 -7.799 135 HA LEU 20 HA LEU 20 -0.972 13.507 -5.214 136 HB2 LEU 20 HB2 LEU 20 -2.810 12.111 -6.130 137 HB3 LEU 20 HB3 LEU 20 -1.896 11.849 -7.604 138 HG LEU 20 HG LEU 20 -0.103 10.694 -6.150 139 HD11 LEU 20 HD11 LEU 20 -0.748 11.573 -3.988 140 HD12 LEU 20 HD12 LEU 20 -0.788 9.813 -3.977 141 HD13 LEU 20 HD13 LEU 20 -2.294 10.730 -4.071 142 HD21 LEU 20 HD21 LEU 20 -1.627 9.404 -7.566 143 HD22 LEU 20 HD22 LEU 20 -2.814 9.349 -6.260 144 HD23 LEU 20 HD23 LEU 20 -1.252 8.547 -6.071 145 H MET 21 H MET 21 1.085 14.426 -5.422 146 HA MET 21 HA MET 21 2.933 12.977 -7.249 147 HB2 MET 21 HB2 MET 21 3.071 15.303 -7.871 148 HB3 MET 21 HB3 MET 21 3.081 15.836 -6.195 149 HG2 MET 21 HG2 MET 21 5.294 16.093 -7.230 150 HG3 MET 21 HG3 MET 21 5.347 14.932 -5.903 151 HE1 MET 21 HE1 MET 21 8.013 13.433 -8.325 152 HE2 MET 21 HE2 MET 21 7.661 13.916 -6.663 153 HE3 MET 21 HE3 MET 21 7.726 15.130 -7.945 154 H LEU 22 H LEU 22 3.531 11.309 -5.961 155 HA LEU 22 HA LEU 22 3.766 11.506 -3.119 156 HB2 LEU 22 HB2 LEU 22 4.757 9.329 -5.007 157 HB3 LEU 22 HB3 LEU 22 4.637 9.177 -3.260 158 HG LEU 22 HG LEU 22 2.270 9.583 -5.137 159 HD11 LEU 22 HD11 LEU 22 1.696 7.252 -4.693 160 HD12 LEU 22 HD12 LEU 22 3.168 7.052 -3.737 161 HD13 LEU 22 HD13 LEU 22 3.274 7.385 -5.468 162 HD21 LEU 22 HD21 LEU 22 2.330 9.036 -2.150 163 HD22 LEU 22 HD22 LEU 22 0.881 9.045 -3.160 164 HD23 LEU 22 HD23 LEU 22 1.809 10.525 -2.943 165 H VAL 23 H VAL 23 5.285 12.697 -2.270 166 HA VAL 23 HA VAL 23 7.907 13.123 -3.481 167 HB VAL 23 HB VAL 23 8.197 14.836 -1.714 168 HG11 VAL 23 HG11 VAL 23 5.453 15.025 -3.025 169 HG12 VAL 23 HG12 VAL 23 6.989 15.477 -3.770 170 HG13 VAL 23 HG13 VAL 23 6.386 16.381 -2.379 171 HG21 VAL 23 HG21 VAL 23 6.401 15.327 -0.071 172 HG22 VAL 23 HG22 VAL 23 7.053 13.705 0.160 173 HG23 VAL 23 HG23 VAL 23 5.494 13.922 -0.638 174 HA PRO 24 HA PRO 24 10.051 10.119 -0.837 175 HB2 PRO 24 HB2 PRO 24 12.362 12.034 -0.791 176 HB3 PRO 24 HB3 PRO 24 12.302 10.361 -1.387 177 HG2 PRO 24 HG2 PRO 24 12.450 12.382 -3.113 178 HG3 PRO 24 HG3 PRO 24 11.413 10.976 -3.459 179 HD2 PRO 24 HD2 PRO 24 10.601 13.686 -2.388 180 HD3 PRO 24 HD3 PRO 24 9.851 12.718 -3.681 181 H ASN 25 H ASN 25 8.562 10.598 0.858 182 HA ASN 25 HA ASN 25 8.946 12.648 2.829 183 HB2 ASN 25 HB2 ASN 25 6.699 11.755 2.277 184 HB3 ASN 25 HB3 ASN 25 7.187 10.148 2.806 185 HD21 ASN 25 HD21 ASN 25 5.608 9.972 4.379 186 HD22 ASN 25 HD22 ASN 25 5.573 10.933 5.813 187 H ARG 26 H ARG 26 9.530 12.306 5.031 188 HA ARG 26 HA ARG 26 11.737 10.601 5.553 189 HB2 ARG 26 HB2 ARG 26 9.984 12.017 7.617 190 HB3 ARG 26 HB3 ARG 26 11.642 11.465 7.842 191 HG2 ARG 26 HG2 ARG 26 10.729 13.714 6.011 192 HG3 ARG 26 HG3 ARG 26 11.592 13.893 7.541 193 HD2 ARG 26 HD2 ARG 26 13.594 12.923 6.618 194 HD3 ARG 26 HD3 ARG 26 12.749 12.397 5.160 195 HE ARG 26 HE ARG 26 12.941 15.276 5.749 196 HH11 ARG 26 HH11 ARG 26 13.914 12.573 3.708 197 HH12 ARG 26 HH12 ARG 26 14.555 13.594 2.462 198 HH21 ARG 26 HH21 ARG 26 13.764 16.592 4.074 199 HH22 ARG 26 HH22 ARG 26 14.472 15.856 2.669 200 H GLN 27 H GLN 27 11.666 8.488 5.909 201 HA GLN 27 HA GLN 27 9.336 7.014 5.647 202 HB2 GLN 27 HB2 GLN 27 12.069 6.110 6.639 203 HB3 GLN 27 HB3 GLN 27 10.751 5.011 6.228 204 HG2 GLN 27 HG2 GLN 27 10.751 5.989 3.907 205 HG3 GLN 27 HG3 GLN 27 12.196 6.899 4.341 206 HE21 GLN 27 HE21 GLN 27 13.335 4.658 5.928 207 HE22 GLN 27 HE22 GLN 27 13.870 3.499 4.767 208 H LEU 28 H LEU 28 7.748 6.661 6.989 209 HA LEU 28 HA LEU 28 7.698 7.377 9.699 210 HB2 LEU 28 HB2 LEU 28 5.800 5.466 8.272 211 HB3 LEU 28 HB3 LEU 28 5.483 6.308 9.787 212 HG LEU 28 HG LEU 28 5.772 7.571 7.037 213 HD11 LEU 28 HD11 LEU 28 3.416 8.168 7.306 214 HD12 LEU 28 HD12 LEU 28 3.356 7.289 8.837 215 HD13 LEU 28 HD13 LEU 28 3.664 6.422 7.328 216 HD21 LEU 28 HD21 LEU 28 5.312 8.951 9.700 217 HD22 LEU 28 HD22 LEU 28 5.183 9.713 8.113 218 HD23 LEU 28 HD23 LEU 28 6.735 9.091 8.664 219 H THR 29 H THR 29 7.976 6.261 11.564 220 HA THR 29 HA THR 29 9.429 3.788 11.565 221 HB THR 29 HB THR 29 9.326 3.997 14.036 222 HG1 THR 29 HG1 THR 29 8.167 5.921 14.861 223 HG21 THR 29 HG21 THR 29 10.998 5.385 12.842 224 HG22 THR 29 HG22 THR 29 10.416 6.205 14.290 225 HG23 THR 29 HG23 THR 29 9.822 6.697 12.703 226 H ALA 30 H ALA 30 8.696 1.768 12.484 227 HA ALA 30 HA ALA 30 6.245 0.773 11.696 228 HB1 ALA 30 HB1 ALA 30 7.974 -0.255 13.971 229 HB2 ALA 30 HB2 ALA 30 8.189 -0.634 12.262 230 HB3 ALA 30 HB3 ALA 30 6.738 -1.173 13.104 231 H ASP 31 H ASP 31 7.187 2.134 14.831 232 HA ASP 31 HA ASP 31 4.830 1.706 16.292 233 HB2 ASP 31 HB2 ASP 31 6.885 3.953 16.531 234 HB3 ASP 31 HB3 ASP 31 5.625 3.639 17.725 235 H TYR 32 H TYR 32 5.812 4.499 14.246 236 HA TYR 32 HA TYR 32 3.592 6.148 14.901 237 HB2 TYR 32 HB2 TYR 32 5.705 7.085 13.960 238 HB3 TYR 32 HB3 TYR 32 5.382 6.282 12.427 239 HD1 TYR 32 HD2 TYR 32 4.247 8.993 14.705 240 HD2 TYR 32 HD1 TYR 32 3.781 7.242 10.830 241 HE1 TYR 32 HE2 TYR 32 2.924 10.931 13.979 242 HE2 TYR 32 HE1 TYR 32 2.459 9.183 10.114 243 HH TYR 32 HH TYR 32 2.305 12.060 11.867 244 H PHE 33 H PHE 33 4.340 4.146 12.047 245 HA PHE 33 HA PHE 33 2.015 4.555 10.567 246 HB2 PHE 33 HB2 PHE 33 4.022 3.472 9.607 247 HB3 PHE 33 HB3 PHE 33 3.801 2.081 10.659 248 HD1 PHE 33 HD1 PHE 33 1.933 0.450 10.214 249 HD2 PHE 33 HD2 PHE 33 2.662 3.738 7.582 250 HE1 PHE 33 HE1 PHE 33 0.502 -0.587 8.522 251 HE2 PHE 33 HE2 PHE 33 1.224 2.679 5.891 252 HZ PHE 33 HZ PHE 33 0.133 0.527 6.360 253 H GLU 34 H GLU 34 2.755 2.231 13.148 254 HA GLU 34 HA GLU 34 0.525 0.535 12.887 255 HB2 GLU 34 HB2 GLU 34 2.617 0.053 14.218 256 HB3 GLU 34 HB3 GLU 34 2.053 1.178 15.445 257 HG2 GLU 34 HG2 GLU 34 1.622 -1.153 16.082 258 HG3 GLU 34 HG3 GLU 34 0.125 -0.235 15.918 259 H LYS 35 H LYS 35 1.090 3.277 15.116 260 HA LYS 35 HA LYS 35 -1.423 3.235 16.395 261 HB2 LYS 35 HB2 LYS 35 0.564 5.516 16.047 262 HB3 LYS 35 HB3 LYS 35 -0.812 5.560 17.149 263 HG2 LYS 35 HG2 LYS 35 0.120 3.706 18.447 264 HG3 LYS 35 HG3 LYS 35 1.464 3.552 17.311 265 HD2 LYS 35 HD2 LYS 35 0.890 5.977 19.067 266 HD3 LYS 35 HD3 LYS 35 2.136 4.763 19.369 267 HE2 LYS 35 HE2 LYS 35 3.239 5.403 17.219 268 HE3 LYS 35 HE3 LYS 35 2.020 6.660 16.992 269 HZ1 LYS 35 HZ1 LYS 35 2.777 7.665 19.078 270 HZ2 LYS 35 HZ2 LYS 35 3.998 7.600 17.916 271 HZ3 LYS 35 HZ3 LYS 35 3.995 6.499 19.200 272 H THR 36 H THR 36 -0.244 5.040 13.556 273 HA THR 36 HA THR 36 -2.532 6.673 13.149 274 HB THR 36 HB THR 36 -0.486 5.792 11.047 275 HG1 THR 36 HG1 THR 36 0.361 6.859 12.994 276 HG21 THR 36 HG21 THR 36 -1.067 7.902 9.889 277 HG22 THR 36 HG22 THR 36 -2.280 8.252 11.121 278 HG23 THR 36 HG23 THR 36 -2.494 6.868 10.051 279 H TRP 37 H TRP 37 -1.570 3.482 11.915 280 HA TRP 37 HA TRP 37 -3.587 3.045 10.017 281 HB2 TRP 37 HB2 TRP 37 -1.519 1.697 10.081 282 HB3 TRP 37 HB3 TRP 37 -1.940 1.064 11.669 283 HD1 TRP 37 HD1 TRP 37 -3.399 -1.118 11.718 284 HE1 TRP 37 HE1 TRP 37 -4.526 -2.576 9.931 285 HE3 TRP 37 HE3 TRP 37 -2.696 1.894 7.637 286 HZ2 TRP 37 HZ2 TRP 37 -5.043 -2.482 7.164 287 HZ3 TRP 37 HZ3 TRP 37 -3.546 1.139 5.454 288 HH2 TRP 37 HH2 TRP 37 -4.695 -1.004 5.223 289 H LEU 38 H LEU 38 -3.332 1.963 13.438 290 HA LEU 38 HA LEU 38 -5.881 0.761 13.608 291 HB2 LEU 38 HB2 LEU 38 -4.228 1.930 15.875 292 HB3 LEU 38 HB3 LEU 38 -5.524 0.754 16.041 293 HG LEU 38 HG LEU 38 -2.847 0.253 14.679 294 HD11 LEU 38 HD11 LEU 38 -3.846 -0.760 17.354 295 HD12 LEU 38 HD12 LEU 38 -2.612 0.476 17.100 296 HD13 LEU 38 HD13 LEU 38 -2.312 -1.180 16.579 297 HD21 LEU 38 HD21 LEU 38 -5.123 -1.691 15.197 298 HD22 LEU 38 HD22 LEU 38 -3.519 -2.117 14.591 299 HD23 LEU 38 HD23 LEU 38 -4.578 -1.096 13.625 300 H SER 39 H SER 39 -4.818 4.082 13.970 301 HA SER 39 HA SER 39 -7.227 5.018 15.295 302 HB2 SER 39 HB2 SER 39 -4.963 5.999 15.781 303 HB3 SER 39 HB3 SER 39 -4.927 6.661 14.149 304 HG SER 39 HG SER 39 -6.763 7.897 14.682 305 H LEU 40 H LEU 40 -6.404 4.398 11.996 306 HA LEU 40 HA LEU 40 -8.529 6.226 11.027 307 HB2 LEU 40 HB2 LEU 40 -6.241 4.855 9.552 308 HB3 LEU 40 HB3 LEU 40 -7.516 5.766 8.752 309 HG LEU 40 HG LEU 40 -5.544 6.953 10.751 310 HD11 LEU 40 HD11 LEU 40 -4.399 6.259 8.720 311 HD12 LEU 40 HD12 LEU 40 -4.473 8.016 8.828 312 HD13 LEU 40 HD13 LEU 40 -5.557 7.153 7.732 313 HD21 LEU 40 HD21 LEU 40 -7.681 8.163 10.712 314 HD22 LEU 40 HD22 LEU 40 -7.579 8.329 8.956 315 HD23 LEU 40 HD23 LEU 40 -6.396 9.133 9.992 316 H LYS 41 H LYS 41 -9.920 5.282 9.333 317 HA LYS 41 HA LYS 41 -10.439 2.374 9.651 318 HB2 LYS 41 HB2 LYS 41 -12.496 4.629 9.580 319 HB3 LYS 41 HB3 LYS 41 -12.890 2.911 9.564 320 HG2 LYS 41 HG2 LYS 41 -12.022 2.621 11.807 321 HG3 LYS 41 HG3 LYS 41 -11.391 4.273 11.829 322 HD2 LYS 41 HD2 LYS 41 -13.708 5.152 11.707 323 HD3 LYS 41 HD3 LYS 41 -14.339 3.503 11.682 324 HE2 LYS 41 HE2 LYS 41 -13.490 3.114 13.943 325 HE3 LYS 41 HE3 LYS 41 -12.727 4.707 13.960 326 HZ1 LYS 41 HZ1 LYS 41 -14.901 5.723 13.805 327 HZ2 LYS 41 HZ2 LYS 41 -14.834 4.702 15.149 328 HZ3 LYS 41 HZ3 LYS 41 -15.648 4.210 13.753 329 H VAL 42 H VAL 42 -11.572 1.440 7.778 330 HA VAL 42 HA VAL 42 -9.987 1.857 5.541 331 HB VAL 42 HB VAL 42 -12.624 0.326 5.710 332 HG11 VAL 42 HG11 VAL 42 -10.463 0.127 3.570 333 HG12 VAL 42 HG12 VAL 42 -12.096 0.757 3.340 334 HG13 VAL 42 HG13 VAL 42 -11.857 -0.948 3.722 335 HG21 VAL 42 HG21 VAL 42 -10.931 -0.480 7.306 336 HG22 VAL 42 HG22 VAL 42 -9.747 -0.632 6.005 337 HG23 VAL 42 HG23 VAL 42 -11.176 -1.666 6.023 338 H ALA 43 H ALA 43 -9.969 3.346 4.044 339 HA ALA 43 HA ALA 43 -12.189 5.177 3.578 340 HB1 ALA 43 HB1 ALA 43 -9.401 5.074 2.347 341 HB2 ALA 43 HB2 ALA 43 -9.894 6.064 3.722 342 HB3 ALA 43 HB3 ALA 43 -10.578 6.377 2.128 343 H HIS 44 H HIS 44 -10.257 2.781 1.770 344 HA HIS 44 HA HIS 44 -12.649 1.975 0.300 345 HB2 HIS 44 HB2 HIS 44 -11.574 3.690 -1.161 346 HB3 HIS 44 HB3 HIS 44 -10.067 2.782 -1.130 347 HD2 HIS 44 HD2 HIS 44 -9.954 0.607 -2.849 348 HE1 HIS 44 HE1 HIS 44 -13.768 1.210 -4.539 349 HE2 HIS 44 HE2 HIS 44 -11.508 0.131 -4.846 350 H GLN 45 H GLN 45 -12.570 -0.147 -0.408 351 HA GLN 45 HA GLN 45 -10.188 -1.793 0.207 352 HB2 GLN 45 HB2 GLN 45 -11.932 -2.390 1.820 353 HB3 GLN 45 HB3 GLN 45 -13.132 -2.531 0.539 354 HG2 GLN 45 HG2 GLN 45 -12.429 -4.749 1.267 355 HG3 GLN 45 HG3 GLN 45 -11.919 -4.477 -0.391 356 HE21 GLN 45 HE21 GLN 45 -10.323 -3.297 2.562 357 HE22 GLN 45 HE22 GLN 45 -8.867 -4.197 2.327 358 H GLN 46 H GLN 46 -9.354 -2.471 -1.622 359 HA GLN 46 HA GLN 46 -11.031 -3.113 -3.990 360 HB2 GLN 46 HB2 GLN 46 -9.434 -0.978 -3.948 361 HB3 GLN 46 HB3 GLN 46 -8.157 -2.150 -4.211 362 HG2 GLN 46 HG2 GLN 46 -10.564 -1.972 -6.033 363 HG3 GLN 46 HG3 GLN 46 -9.174 -0.921 -6.250 364 HE21 GLN 46 HE21 GLN 46 -7.178 -1.870 -6.831 365 HE22 GLN 46 HE22 GLN 46 -7.117 -3.393 -7.630 366 H VAL 47 H VAL 47 -10.333 -5.002 -5.167 367 HA VAL 47 HA VAL 47 -8.417 -6.781 -3.773 368 HB VAL 47 HB VAL 47 -11.260 -7.547 -4.620 369 HG11 VAL 47 HG11 VAL 47 -9.114 -9.315 -3.399 370 HG12 VAL 47 HG12 VAL 47 -9.715 -9.407 -5.056 371 HG13 VAL 47 HG13 VAL 47 -10.785 -9.796 -3.707 372 HG21 VAL 47 HG21 VAL 47 -11.244 -6.304 -2.490 373 HG22 VAL 47 HG22 VAL 47 -10.051 -7.425 -1.830 374 HG23 VAL 47 HG23 VAL 47 -11.677 -7.996 -2.216 375 H LEU 48 H LEU 48 -7.055 -7.784 -5.210 376 HA LEU 48 HA LEU 48 -7.755 -7.895 -8.089 377 HB2 LEU 48 HB2 LEU 48 -5.041 -7.405 -6.777 378 HB3 LEU 48 HB3 LEU 48 -5.251 -7.736 -8.491 379 HG LEU 48 HG LEU 48 -6.340 -5.304 -7.019 380 HD11 LEU 48 HD11 LEU 48 -4.034 -5.516 -8.976 381 HD12 LEU 48 HD12 LEU 48 -3.914 -5.213 -7.240 382 HD13 LEU 48 HD13 LEU 48 -4.682 -4.024 -8.286 383 HD21 LEU 48 HD21 LEU 48 -6.457 -5.991 -9.978 384 HD22 LEU 48 HD22 LEU 48 -6.961 -4.462 -9.249 385 HD23 LEU 48 HD23 LEU 48 -7.822 -5.946 -8.856 386 HA PRO 49 HA PRO 49 -6.777 -12.287 -7.388 387 HB2 PRO 49 HB2 PRO 49 -6.950 -13.232 -9.934 388 HB3 PRO 49 HB3 PRO 49 -8.396 -12.686 -9.056 389 HG2 PRO 49 HG2 PRO 49 -6.832 -11.254 -11.175 390 HG3 PRO 49 HG3 PRO 49 -8.590 -11.323 -10.929 391 HD2 PRO 49 HD2 PRO 49 -6.966 -9.206 -10.102 392 HD3 PRO 49 HD3 PRO 49 -8.569 -9.565 -9.430 393 H TRP 50 H TRP 50 -4.776 -13.152 -7.059 394 HA TRP 50 HA TRP 50 -2.465 -12.300 -8.690 395 HB2 TRP 50 HB2 TRP 50 -2.369 -12.228 -6.130 396 HB3 TRP 50 HB3 TRP 50 -2.452 -13.985 -6.139 397 HD1 TRP 50 HD1 TRP 50 -0.211 -15.305 -6.846 398 HE1 TRP 50 HE1 TRP 50 2.223 -14.559 -7.142 399 HE3 TRP 50 HE3 TRP 50 -0.861 -10.219 -6.890 400 HZ2 TRP 50 HZ2 TRP 50 3.695 -12.184 -7.330 401 HZ3 TRP 50 HZ3 TRP 50 1.132 -8.779 -7.122 402 HH2 TRP 50 HH2 TRP 50 3.370 -9.747 -7.340 403 H ARG 51 H ARG 51 -1.016 -14.035 -9.530 404 HA ARG 51 HA ARG 51 -2.497 -16.512 -10.218 405 HB2 ARG 51 HB2 ARG 51 -2.536 -14.672 -12.007 406 HB3 ARG 51 HB3 ARG 51 -0.797 -14.892 -12.164 407 HG2 ARG 51 HG2 ARG 51 -1.158 -17.241 -12.852 408 HG3 ARG 51 HG3 ARG 51 -2.901 -17.021 -12.674 409 HD2 ARG 51 HD2 ARG 51 -2.686 -15.141 -14.416 410 HD3 ARG 51 HD3 ARG 51 -1.053 -15.745 -14.708 411 HE ARG 51 HE ARG 51 -2.076 -17.889 -15.354 412 HH11 ARG 51 HH11 ARG 51 -4.136 -15.029 -15.429 413 HH12 ARG 51 HH12 ARG 51 -5.233 -15.709 -16.588 414 HH21 ARG 51 HH21 ARG 51 -3.554 -18.774 -16.837 415 HH22 ARG 51 HH22 ARG 51 -4.903 -17.828 -17.383 416 H GLY 52 H GLY 52 -1.343 -17.971 -9.048 417 HA2 GLY 52 HA2 GLY 52 0.309 -19.575 -8.853 418 HA3 GLY 52 HA3 GLY 52 1.349 -18.649 -9.930 419 H GLU 53 H GLU 53 3.193 -18.547 -8.762 420 HA GLU 53 HA GLU 53 3.297 -18.323 -5.893 421 HB2 GLU 53 HB2 GLU 53 5.453 -18.290 -8.046 422 HB3 GLU 53 HB3 GLU 53 5.808 -18.238 -6.320 423 HG2 GLU 53 HG2 GLU 53 4.341 -20.489 -7.738 424 HG3 GLU 53 HG3 GLU 53 6.040 -20.514 -7.267 425 H PHE 54 H PHE 54 4.119 -16.608 -4.640 426 HA PHE 54 HA PHE 54 3.413 -14.013 -5.699 427 HB2 PHE 54 HB2 PHE 54 2.742 -14.871 -3.348 428 HB3 PHE 54 HB3 PHE 54 4.397 -14.504 -2.857 429 HD1 PHE 54 HD1 PHE 54 5.173 -12.145 -2.742 430 HD2 PHE 54 HD2 PHE 54 1.201 -13.089 -3.968 431 HE1 PHE 54 HE1 PHE 54 4.555 -9.777 -2.622 432 HE2 PHE 54 HE2 PHE 54 0.599 -10.733 -3.828 433 HZ PHE 54 HZ PHE 54 2.274 -9.069 -3.174 434 H HIS 55 H HIS 55 4.719 -12.217 -5.871 435 HA HIS 55 HA HIS 55 7.662 -12.587 -5.736 436 HB2 HIS 55 HB2 HIS 55 6.079 -10.890 -7.723 437 HB3 HIS 55 HB3 HIS 55 7.830 -11.061 -7.681 438 HD1 HIS 55 HD1 HIS 55 8.762 -12.814 -9.191 439 HD2 HIS 55 HD2 HIS 55 4.750 -13.478 -8.360 440 HE1 HIS 55 HE1 HIS 55 8.075 -14.739 -10.640 441 HE2 HIS 55 HE2 HIS 55 5.602 -14.961 -10.280 442 HA PRO 56 HA PRO 56 6.443 -9.079 -2.884 443 HB2 PRO 56 HB2 PRO 56 7.939 -9.723 -0.723 444 HB3 PRO 56 HB3 PRO 56 6.462 -10.630 -1.128 445 HG2 PRO 56 HG2 PRO 56 9.325 -11.365 -1.682 446 HG3 PRO 56 HG3 PRO 56 8.010 -12.378 -1.042 447 HD2 PRO 56 HD2 PRO 56 8.772 -12.382 -3.695 448 HD3 PRO 56 HD3 PRO 56 7.136 -12.803 -3.145 449 H ASP 57 H ASP 57 9.755 -10.185 -3.567 450 HA ASP 57 HA ASP 57 11.056 -7.707 -2.990 451 HB2 ASP 57 HB2 ASP 57 11.963 -10.047 -4.735 452 HB3 ASP 57 HB3 ASP 57 12.983 -8.669 -4.324 453 H THR 58 H THR 58 9.748 -9.213 -5.935 454 HA THR 58 HA THR 58 10.586 -7.241 -7.803 455 HB THR 58 HB THR 58 8.189 -9.126 -7.995 456 HG1 THR 58 HG1 THR 58 10.895 -9.581 -8.064 457 HG21 THR 58 HG21 THR 58 8.530 -8.961 -10.453 458 HG22 THR 58 HG22 THR 58 9.802 -7.765 -10.191 459 HG23 THR 58 HG23 THR 58 8.135 -7.387 -9.753 460 H LEU 59 H LEU 59 7.667 -7.734 -5.860 461 HA LEU 59 HA LEU 59 6.115 -5.566 -6.744 462 HB2 LEU 59 HB2 LEU 59 5.271 -7.484 -5.385 463 HB3 LEU 59 HB3 LEU 59 6.160 -6.878 -3.998 464 HG LEU 59 HG LEU 59 4.724 -4.827 -3.989 465 HD11 LEU 59 HD11 LEU 59 4.115 -4.718 -6.351 466 HD12 LEU 59 HD12 LEU 59 2.681 -4.711 -5.329 467 HD13 LEU 59 HD13 LEU 59 3.142 -6.183 -6.191 468 HD21 LEU 59 HD21 LEU 59 2.691 -5.895 -3.130 469 HD22 LEU 59 HD22 LEU 59 4.141 -6.710 -2.553 470 HD23 LEU 59 HD23 LEU 59 3.181 -7.431 -3.848 471 H GLN 60 H GLN 60 8.349 -5.856 -3.953 472 HA GLN 60 HA GLN 60 7.982 -3.288 -2.876 473 HB2 GLN 60 HB2 GLN 60 8.988 -5.170 -1.617 474 HB3 GLN 60 HB3 GLN 60 10.408 -5.115 -2.661 475 HG2 GLN 60 HG2 GLN 60 11.021 -2.915 -1.805 476 HG3 GLN 60 HG3 GLN 60 9.532 -2.833 -0.860 477 HE21 GLN 60 HE21 GLN 60 12.372 -2.717 -0.004 478 HE22 GLN 60 HE22 GLN 60 12.539 -3.961 1.180 479 H MET 61 H MET 61 10.446 -4.516 -5.154 480 HA MET 61 HA MET 61 12.034 -2.201 -5.330 481 HB2 MET 61 HB2 MET 61 11.647 -4.461 -7.340 482 HB3 MET 61 HB3 MET 61 12.875 -3.212 -7.500 483 HG2 MET 61 HG2 MET 61 14.000 -3.984 -5.510 484 HG3 MET 61 HG3 MET 61 12.706 -5.137 -5.174 485 HE1 MET 61 HE1 MET 61 14.237 -7.264 -5.019 486 HE2 MET 61 HE2 MET 61 15.659 -6.226 -5.176 487 HE3 MET 61 HE3 MET 61 15.491 -7.656 -6.194 488 H ALA 62 H ALA 62 9.240 -3.334 -7.248 489 HA ALA 62 HA ALA 62 9.302 -1.216 -9.186 490 HB1 ALA 62 HB1 ALA 62 7.116 -2.109 -9.898 491 HB2 ALA 62 HB2 ALA 62 7.061 -3.132 -8.460 492 HB3 ALA 62 HB3 ALA 62 8.299 -3.402 -9.687 493 H LEU 63 H LEU 63 7.729 -1.704 -6.076 494 HA LEU 63 HA LEU 63 5.986 0.528 -6.064 495 HB2 LEU 63 HB2 LEU 63 7.307 -1.026 -3.813 496 HB3 LEU 63 HB3 LEU 63 6.185 0.289 -3.505 497 HG LEU 63 HG LEU 63 5.452 -2.212 -5.072 498 HD11 LEU 63 HD11 LEU 63 5.998 -2.842 -2.790 499 HD12 LEU 63 HD12 LEU 63 4.266 -2.983 -3.076 500 HD13 LEU 63 HD13 LEU 63 4.898 -1.612 -2.158 501 HD21 LEU 63 HD21 LEU 63 3.126 -1.481 -4.731 502 HD22 LEU 63 HD22 LEU 63 4.052 -0.290 -5.639 503 HD23 LEU 63 HD23 LEU 63 3.695 -0.012 -3.931 504 H GLN 64 H GLN 64 9.399 0.128 -5.075 505 HA GLN 64 HA GLN 64 9.904 2.726 -4.147 506 HB2 GLN 64 HB2 GLN 64 11.828 0.854 -5.586 507 HB3 GLN 64 HB3 GLN 64 12.299 2.258 -4.624 508 HG2 GLN 64 HG2 GLN 64 11.461 1.221 -2.604 509 HG3 GLN 64 HG3 GLN 64 10.797 -0.127 -3.519 510 HE21 GLN 64 HE21 GLN 64 11.998 -1.737 -2.513 511 HE22 GLN 64 HE22 GLN 64 13.717 -1.866 -2.654 512 H VAL 65 H VAL 65 9.751 1.456 -7.478 513 HA VAL 65 HA VAL 65 10.978 3.663 -8.789 514 HB VAL 65 HB VAL 65 8.981 1.640 -9.923 515 HG11 VAL 65 HG11 VAL 65 9.319 3.577 -11.432 516 HG12 VAL 65 HG12 VAL 65 9.991 2.099 -12.123 517 HG13 VAL 65 HG13 VAL 65 11.063 3.300 -11.398 518 HG21 VAL 65 HG21 VAL 65 10.895 0.509 -8.851 519 HG22 VAL 65 HG22 VAL 65 12.016 1.458 -9.828 520 HG23 VAL 65 HG23 VAL 65 10.935 0.296 -10.602 521 H VAL 66 H VAL 66 7.740 3.087 -7.586 522 HA VAL 66 HA VAL 66 6.758 5.655 -8.720 523 HB VAL 66 HB VAL 66 4.450 4.782 -8.156 524 HG11 VAL 66 HG11 VAL 66 4.287 3.221 -10.060 525 HG12 VAL 66 HG12 VAL 66 6.043 3.032 -10.068 526 HG13 VAL 66 HG13 VAL 66 5.322 4.597 -10.452 527 HG21 VAL 66 HG21 VAL 66 4.147 2.361 -7.695 528 HG22 VAL 66 HG22 VAL 66 5.058 3.152 -6.408 529 HG23 VAL 66 HG23 VAL 66 5.901 2.161 -7.598 530 H ASN 67 H ASN 67 8.447 5.014 -6.200 531 HA ASN 67 HA ASN 67 8.843 5.948 -4.193 532 HB2 ASN 67 HB2 ASN 67 8.509 8.018 -5.629 533 HB3 ASN 67 HB3 ASN 67 6.866 8.118 -5.018 534 HD21 ASN 67 HD21 ASN 67 6.560 8.701 -2.796 535 HD22 ASN 67 HD22 ASN 67 7.806 9.476 -1.890 536 H ILE 68 H ILE 68 7.214 3.884 -3.864 537 HA ILE 68 HA ILE 68 5.202 4.661 -1.862 538 HB ILE 68 HB ILE 68 5.806 1.947 -3.109 539 HG12 ILE 68 HG12 ILE 68 4.693 3.533 -4.668 540 HG13 ILE 68 HG13 ILE 68 3.632 2.190 -4.260 541 HG21 ILE 68 HG21 ILE 68 3.646 2.672 -1.096 542 HG22 ILE 68 HG22 ILE 68 5.025 1.606 -0.818 543 HG23 ILE 68 HG23 ILE 68 3.760 1.132 -1.953 544 HD11 ILE 68 HD11 ILE 68 2.416 4.264 -4.336 545 HD12 ILE 68 HD12 ILE 68 3.491 4.989 -3.145 546 HD13 ILE 68 HD13 ILE 68 2.432 3.652 -2.683 547 H GLN 69 H GLN 69 5.937 4.897 0.092 548 HA GLN 69 HA GLN 69 8.429 3.987 1.134 549 HB2 GLN 69 HB2 GLN 69 7.311 6.098 1.800 550 HB3 GLN 69 HB3 GLN 69 5.953 5.189 2.439 551 HG2 GLN 69 HG2 GLN 69 7.627 4.166 4.099 552 HG3 GLN 69 HG3 GLN 69 8.744 5.428 3.569 553 HE21 GLN 69 HE21 GLN 69 5.781 4.756 5.221 554 HE22 GLN 69 HE22 GLN 69 5.555 6.313 5.907 555 H THR 70 H THR 70 8.762 1.846 1.704 556 HA THR 70 HA THR 70 6.458 0.101 2.253 557 HB THR 70 HB THR 70 9.392 -0.664 1.854 558 HG1 THR 70 HG1 THR 70 7.702 0.242 0.057 559 HG21 THR 70 HG21 THR 70 8.511 -2.951 1.447 560 HG22 THR 70 HG22 THR 70 6.877 -2.390 1.804 561 HG23 THR 70 HG23 THR 70 8.100 -2.403 3.076 562 H ILE 71 H ILE 71 5.911 -0.167 4.319 563 HA ILE 71 HA ILE 71 7.745 0.397 6.538 564 HB ILE 71 HB ILE 71 4.777 -0.326 6.541 565 HG12 ILE 71 HG12 ILE 71 5.232 1.848 5.413 566 HG13 ILE 71 HG13 ILE 71 4.350 2.077 6.912 567 HG21 ILE 71 HG21 ILE 71 5.776 -0.923 8.692 568 HG22 ILE 71 HG22 ILE 71 4.751 0.499 8.894 569 HG23 ILE 71 HG23 ILE 71 6.506 0.678 8.837 570 HD11 ILE 71 HD11 ILE 71 7.288 2.564 6.486 571 HD12 ILE 71 HD12 ILE 71 6.429 2.768 8.018 572 HD13 ILE 71 HD13 ILE 71 6.019 3.778 6.631 573 H ALA 72 H ALA 72 5.650 -2.275 5.406 574 HA ALA 72 HA ALA 72 7.508 -4.253 6.580 575 HB1 ALA 72 HB1 ALA 72 4.468 -4.317 6.831 576 HB2 ALA 72 HB2 ALA 72 5.607 -4.000 8.142 577 HB3 ALA 72 HB3 ALA 72 5.575 -5.584 7.366 578 H MET 73 H MET 73 7.589 -6.201 5.442 579 HA MET 73 HA MET 73 5.913 -6.789 3.148 580 HB2 MET 73 HB2 MET 73 7.599 -5.320 2.102 581 HB3 MET 73 HB3 MET 73 8.907 -6.240 2.827 582 HG2 MET 73 HG2 MET 73 8.763 -6.835 0.501 583 HG3 MET 73 HG3 MET 73 8.199 -8.211 1.441 584 HE1 MET 73 HE1 MET 73 5.471 -5.411 -1.028 585 HE2 MET 73 HE2 MET 73 7.234 -5.312 -1.012 586 HE3 MET 73 HE3 MET 73 6.306 -4.837 0.412 587 H SER 74 H SER 74 5.516 -8.954 3.368 588 HA SER 74 HA SER 74 7.333 -10.671 4.900 589 HB2 SER 74 HB2 SER 74 4.616 -11.277 3.649 590 HB3 SER 74 HB3 SER 74 5.521 -12.372 4.695 591 HG SER 74 HG SER 74 4.742 -9.764 5.471 592 H ARG 75 H ARG 75 7.298 -13.078 3.748 593 HA ARG 75 HA ARG 75 9.135 -12.586 1.489 594 HB2 ARG 75 HB2 ARG 75 9.938 -13.648 3.658 595 HB3 ARG 75 HB3 ARG 75 8.910 -15.029 3.312 596 HG2 ARG 75 HG2 ARG 75 10.237 -15.556 1.324 597 HG3 ARG 75 HG3 ARG 75 11.215 -14.107 1.561 598 HD2 ARG 75 HD2 ARG 75 12.084 -15.017 3.673 599 HD3 ARG 75 HD3 ARG 75 11.058 -16.447 3.497 600 HE ARG 75 HE ARG 75 12.591 -16.297 1.193 601 HH11 ARG 75 HH11 ARG 75 13.236 -16.697 4.632 602 HH12 ARG 75 HH12 ARG 75 14.687 -17.613 4.366 603 HH21 ARG 75 HH21 ARG 75 14.489 -17.502 0.875 604 HH22 ARG 75 HH22 ARG 75 15.394 -18.065 2.245 605 H ALA 76 H ALA 76 9.257 -14.364 -0.192 606 HA ALA 76 HA ALA 76 6.739 -14.912 -1.407 607 HB1 ALA 76 HB1 ALA 76 8.801 -14.637 -2.741 608 HB2 ALA 76 HB2 ALA 76 8.049 -16.197 -3.074 609 HB3 ALA 76 HB3 ALA 76 9.471 -16.106 -2.031 610 H GLY 77 H GLY 77 5.415 -16.609 -1.119 611 HA2 GLY 77 HA2 GLY 77 4.845 -18.860 -0.725 612 HA3 GLY 77 HA3 GLY 77 6.337 -19.096 0.169 613 H SER 78 H SER 78 5.478 -16.297 1.476 614 HA SER 78 HA SER 78 4.227 -17.338 3.815 615 HB2 SER 78 HB2 SER 78 5.573 -15.241 3.863 616 HB3 SER 78 HB3 SER 78 4.393 -14.447 2.818 617 HG SER 78 HG SER 78 4.107 -15.285 5.504 618 H ARG 79 H ARG 79 2.130 -17.811 4.112 619 HA ARG 79 HA ARG 79 -0.022 -16.425 2.728 620 HB2 ARG 79 HB2 ARG 79 0.525 -19.401 2.348 621 HB3 ARG 79 HB3 ARG 79 -1.078 -18.718 2.122 622 HG2 ARG 79 HG2 ARG 79 -0.275 -17.299 0.307 623 HG3 ARG 79 HG3 ARG 79 1.379 -17.842 0.578 624 HD2 ARG 79 HD2 ARG 79 0.673 -20.153 -0.036 625 HD3 ARG 79 HD3 ARG 79 -0.937 -19.525 -0.405 626 HE ARG 79 HE ARG 79 0.103 -18.152 -2.159 627 HH11 ARG 79 HH11 ARG 79 1.969 -20.904 -1.004 628 HH12 ARG 79 HH12 ARG 79 2.914 -21.021 -2.453 629 HH21 ARG 79 HH21 ARG 79 1.354 -18.304 -4.035 630 HH22 ARG 79 HH22 ARG 79 2.559 -19.541 -4.182 631 HA PRO 80 HA PRO 80 -1.793 -15.458 3.435 632 HB2 PRO 80 HB2 PRO 80 -2.636 -13.719 5.348 633 HB3 PRO 80 HB3 PRO 80 -3.559 -15.181 4.937 634 HG2 PRO 80 HG2 PRO 80 -1.685 -14.737 7.243 635 HG3 PRO 80 HG3 PRO 80 -3.292 -15.500 7.236 636 HD2 PRO 80 HD2 PRO 80 -0.950 -16.944 7.186 637 HD3 PRO 80 HD3 PRO 80 -2.470 -17.539 6.483 638 H TRP 81 H TRP 81 -0.303 -14.267 2.462 639 HA TRP 81 HA TRP 81 2.031 -13.126 3.727 640 HB2 TRP 81 HB2 TRP 81 2.215 -13.879 1.410 641 HB3 TRP 81 HB3 TRP 81 0.855 -12.893 0.917 642 HD1 TRP 81 HD1 TRP 81 4.617 -12.660 1.670 643 HE1 TRP 81 HE1 TRP 81 5.481 -10.378 0.837 644 HE3 TRP 81 HE3 TRP 81 0.162 -10.541 0.381 645 HZ2 TRP 81 HZ2 TRP 81 4.404 -8.017 -0.253 646 HZ3 TRP 81 HZ3 TRP 81 0.157 -8.289 -0.567 647 HH2 TRP 81 HH2 TRP 81 2.236 -7.045 -0.880 648 H LYS 82 H LYS 82 2.214 -11.013 4.540 649 HA LYS 82 HA LYS 82 0.334 -8.993 3.467 650 HB2 LYS 82 HB2 LYS 82 1.183 -9.325 6.362 651 HB3 LYS 82 HB3 LYS 82 0.546 -7.804 5.742 652 HG2 LYS 82 HG2 LYS 82 -1.527 -9.080 5.035 653 HG3 LYS 82 HG3 LYS 82 -0.899 -10.461 5.944 654 HD2 LYS 82 HD2 LYS 82 -0.931 -9.158 8.018 655 HD3 LYS 82 HD3 LYS 82 -1.402 -7.701 7.136 656 HE2 LYS 82 HE2 LYS 82 -3.528 -8.882 6.488 657 HE3 LYS 82 HE3 LYS 82 -3.061 -10.206 7.560 658 HZ1 LYS 82 HZ1 LYS 82 -4.575 -8.599 8.596 659 HZ2 LYS 82 HZ2 LYS 82 -3.411 -7.383 8.409 660 HZ3 LYS 82 HZ3 LYS 82 -3.101 -8.710 9.410 661 H ALA 83 H ALA 83 1.024 -6.864 3.440 662 HA ALA 83 HA ALA 83 3.723 -6.108 4.173 663 HB1 ALA 83 HB1 ALA 83 4.071 -6.795 1.832 664 HB2 ALA 83 HB2 ALA 83 4.206 -5.043 1.982 665 HB3 ALA 83 HB3 ALA 83 2.737 -5.762 1.309 666 H TYR 84 H TYR 84 3.736 -3.956 4.754 667 HA TYR 84 HA TYR 84 1.175 -2.488 4.552 668 HB2 TYR 84 HB2 TYR 84 3.224 -2.543 6.801 669 HB3 TYR 84 HB3 TYR 84 1.966 -1.316 6.678 670 HD1 TYR 84 HD1 TYR 84 -0.460 -1.954 6.905 671 HD2 TYR 84 HD2 TYR 84 2.662 -4.820 7.483 672 HE1 TYR 84 HE1 TYR 84 -2.063 -3.499 7.971 673 HE2 TYR 84 HE2 TYR 84 1.068 -6.336 8.535 674 HH TYR 84 HH TYR 84 -1.053 -6.258 9.708 675 H LEU 85 H LEU 85 1.288 -0.880 3.241 676 HA LEU 85 HA LEU 85 3.837 0.416 2.545 677 HB2 LEU 85 HB2 LEU 85 1.184 0.391 1.058 678 HB3 LEU 85 HB3 LEU 85 2.681 1.114 0.485 679 HG LEU 85 HG LEU 85 2.108 -1.855 0.844 680 HD11 LEU 85 HD11 LEU 85 1.067 -0.905 -1.134 681 HD12 LEU 85 HD12 LEU 85 2.398 -1.961 -1.596 682 HD13 LEU 85 HD13 LEU 85 2.604 -0.208 -1.654 683 HD21 LEU 85 HD21 LEU 85 4.430 -1.438 1.490 684 HD22 LEU 85 HD22 LEU 85 4.719 -0.539 -0.002 685 HD23 LEU 85 HD23 LEU 85 4.373 -2.269 -0.063 686 H SER 86 H SER 86 3.879 2.673 2.408 687 HA SER 86 HA SER 86 1.558 4.258 3.137 688 HB2 SER 86 HB2 SER 86 2.624 3.916 5.322 689 HB3 SER 86 HB3 SER 86 4.182 4.419 4.692 690 HG SER 86 HG SER 86 1.850 6.016 4.938 691 H ALA 87 H ALA 87 1.884 6.524 2.551 692 HA ALA 87 HA ALA 87 4.300 7.387 1.226 693 HB1 ALA 87 HB1 ALA 87 3.197 6.155 -0.614 694 HB2 ALA 87 HB2 ALA 87 3.232 7.888 -0.951 695 HB3 ALA 87 HB3 ALA 87 1.737 7.126 -0.399 696 H GLN 88 H GLN 88 3.979 9.660 0.386 697 HA GLN 88 HA GLN 88 1.742 11.171 1.514 698 HB2 GLN 88 HB2 GLN 88 3.519 11.322 3.242 699 HB3 GLN 88 HB3 GLN 88 4.673 11.853 2.022 700 HG2 GLN 88 HG2 GLN 88 3.147 13.872 1.643 701 HG3 GLN 88 HG3 GLN 88 2.275 13.368 3.090 702 HE21 GLN 88 HE21 GLN 88 5.270 14.631 1.845 703 HE22 GLN 88 HE22 GLN 88 5.912 15.154 3.360 704 H ASP 89 H ASP 89 1.019 12.556 -0.036 705 HA ASP 89 HA ASP 89 2.670 13.036 -2.410 706 HB2 ASP 89 HB2 ASP 89 0.685 13.830 -3.505 707 HB3 ASP 89 HB3 ASP 89 0.259 12.351 -2.654 708 H ASP 90 H ASP 90 2.177 15.355 -3.347 709 HA ASP 90 HA ASP 90 3.732 17.192 -1.932 710 HB2 ASP 90 HB2 ASP 90 3.120 18.788 -3.722 711 HB3 ASP 90 HB3 ASP 90 3.548 17.211 -4.372 712 H THR 91 H THR 91 0.237 16.697 -1.831 713 HA THR 91 HA THR 91 -0.327 19.346 -0.729 714 HB THR 91 HB THR 91 -2.671 18.735 -0.623 715 HG1 THR 91 HG1 THR 91 -1.745 16.086 -1.037 716 HG21 THR 91 HG21 THR 91 -1.826 19.255 -2.900 717 HG22 THR 91 HG22 THR 91 -3.148 18.088 -2.957 718 HG23 THR 91 HG23 THR 91 -1.481 17.542 -3.162 719 H GLY 92 H GLY 92 0.755 16.361 0.487 720 HA2 GLY 92 HA2 GLY 92 1.532 16.010 2.634 721 HA3 GLY 92 HA3 GLY 92 0.579 17.358 3.223 722 H CYS 93 H CYS 93 -1.132 15.081 1.269 723 HA CYS 93 HA CYS 93 -2.591 13.962 3.506 724 HB2 CYS 93 HB2 CYS 93 -2.630 13.148 0.565 725 HB3 CYS 93 HB3 CYS 93 -3.791 12.656 1.797 726 HG CYS 93 HG CYS 93 -3.360 15.929 0.957 727 H LEU 94 H LEU 94 -2.031 12.175 4.600 728 HA LEU 94 HA LEU 94 0.307 10.602 3.807 729 HB2 LEU 94 HB2 LEU 94 -0.152 11.694 6.199 730 HB3 LEU 94 HB3 LEU 94 -1.160 10.285 6.452 731 HG LEU 94 HG LEU 94 1.082 10.014 7.467 732 HD11 LEU 94 HD11 LEU 94 -0.070 7.996 6.763 733 HD12 LEU 94 HD12 LEU 94 1.670 7.815 6.596 734 HD13 LEU 94 HD13 LEU 94 0.675 8.094 5.168 735 HD21 LEU 94 HD21 LEU 94 2.384 11.414 5.919 736 HD22 LEU 94 HD22 LEU 94 2.213 10.193 4.655 737 HD23 LEU 94 HD23 LEU 94 3.118 9.823 6.126 738 H PHE 95 H PHE 95 0.016 8.620 2.955 739 HA PHE 95 HA PHE 95 -2.664 7.370 2.859 740 HB2 PHE 95 HB2 PHE 95 -0.313 6.849 0.978 741 HB3 PHE 95 HB3 PHE 95 -1.998 6.384 0.739 742 HD1 PHE 95 HD1 PHE 95 -3.734 8.307 0.572 743 HD2 PHE 95 HD2 PHE 95 0.472 8.882 0.052 744 HE1 PHE 95 HE1 PHE 95 -4.154 10.425 -0.587 745 HE2 PHE 95 HE2 PHE 95 0.036 10.996 -1.107 746 HZ PHE 95 HZ PHE 95 -2.271 11.772 -1.424 747 H LEU 96 H LEU 96 -2.867 5.404 3.853 748 HA LEU 96 HA LEU 96 -0.440 3.756 4.279 749 HB2 LEU 96 HB2 LEU 96 -2.804 3.833 6.191 750 HB3 LEU 96 HB3 LEU 96 -1.286 2.983 6.405 751 HG LEU 96 HG LEU 96 -0.259 5.456 6.334 752 HD11 LEU 96 HD11 LEU 96 -2.298 6.643 5.802 753 HD12 LEU 96 HD12 LEU 96 -1.710 7.143 7.386 754 HD13 LEU 96 HD13 LEU 96 -3.078 6.032 7.261 755 HD21 LEU 96 HD21 LEU 96 -0.374 5.607 8.774 756 HD22 LEU 96 HD22 LEU 96 0.003 3.977 8.227 757 HD23 LEU 96 HD23 LEU 96 -1.625 4.354 8.799 758 H THR 97 H THR 97 -0.654 1.698 3.627 759 HA THR 97 HA THR 97 -3.261 0.626 2.805 760 HB THR 97 HB THR 97 -0.719 0.588 1.111 761 HG1 THR 97 HG1 THR 97 -2.935 2.257 1.221 762 HG21 THR 97 HG21 THR 97 -2.083 -1.456 0.744 763 HG22 THR 97 HG22 THR 97 -2.117 -0.397 -0.670 764 HG23 THR 97 HG23 THR 97 -3.497 -0.445 0.429 765 H GLU 98 H GLU 98 -3.468 -1.560 2.908 766 HA GLU 98 HA GLU 98 -1.250 -3.244 3.906 767 HB2 GLU 98 HB2 GLU 98 -3.026 -3.104 5.595 768 HB3 GLU 98 HB3 GLU 98 -4.246 -3.506 4.390 769 HG2 GLU 98 HG2 GLU 98 -3.022 -5.754 4.113 770 HG3 GLU 98 HG3 GLU 98 -2.108 -5.318 5.560 771 H LEU 99 H LEU 99 -0.708 -4.780 2.499 772 HA LEU 99 HA LEU 99 -2.541 -5.639 0.350 773 HB2 LEU 99 HB2 LEU 99 0.485 -5.964 0.570 774 HB3 LEU 99 HB3 LEU 99 -0.509 -6.454 -0.793 775 HG LEU 99 HG LEU 99 0.067 -3.593 0.079 776 HD11 LEU 99 HD11 LEU 99 1.984 -4.656 -0.968 777 HD12 LEU 99 HD12 LEU 99 1.305 -3.441 -2.047 778 HD13 LEU 99 HD13 LEU 99 1.002 -5.155 -2.348 779 HD21 LEU 99 HD21 LEU 99 -1.130 -2.891 -1.968 780 HD22 LEU 99 HD22 LEU 99 -2.197 -3.709 -0.831 781 HD23 LEU 99 HD23 LEU 99 -1.614 -4.565 -2.263 782 H LEU 100 H LEU 100 -3.397 -7.616 0.668 783 HA LEU 100 HA LEU 100 -2.150 -9.523 2.572 784 HB2 LEU 100 HB2 LEU 100 -4.077 -8.533 3.675 785 HB3 LEU 100 HB3 LEU 100 -5.072 -8.733 2.243 786 HG LEU 100 HG LEU 100 -5.011 -11.221 2.552 787 HD11 LEU 100 HD11 LEU 100 -2.874 -11.442 3.700 788 HD12 LEU 100 HD12 LEU 100 -4.163 -12.222 4.611 789 HD13 LEU 100 HD13 LEU 100 -3.537 -10.656 5.135 790 HD21 LEU 100 HD21 LEU 100 -6.038 -9.709 4.976 791 HD22 LEU 100 HD22 LEU 100 -6.526 -11.335 4.483 792 HD23 LEU 100 HD23 LEU 100 -6.896 -9.955 3.451 793 H LEU 101 H LEU 101 -1.630 -11.381 1.490 794 HA LEU 101 HA LEU 101 -3.252 -12.235 -0.827 795 HB2 LEU 101 HB2 LEU 101 -0.844 -12.033 -1.285 796 HB3 LEU 101 HB3 LEU 101 -0.479 -13.065 0.083 797 HG LEU 101 HG LEU 101 -1.803 -14.920 -1.153 798 HD11 LEU 101 HD11 LEU 101 -1.428 -13.052 -3.511 799 HD12 LEU 101 HD12 LEU 101 -2.964 -13.519 -2.775 800 HD13 LEU 101 HD13 LEU 101 -1.976 -14.731 -3.586 801 HD21 LEU 101 HD21 LEU 101 0.793 -13.939 -2.338 802 HD22 LEU 101 HD22 LEU 101 0.138 -15.569 -2.493 803 HD23 LEU 101 HD23 LEU 101 0.619 -14.963 -0.912 804 H GLU 102 H GLU 102 -4.614 -13.909 -0.474 805 HA GLU 102 HA GLU 102 -5.087 -14.883 2.151 806 HB2 GLU 102 HB2 GLU 102 -6.180 -15.994 -0.465 807 HB3 GLU 102 HB3 GLU 102 -6.851 -16.250 1.144 808 HG2 GLU 102 HG2 GLU 102 -7.302 -13.773 1.274 809 HG3 GLU 102 HG3 GLU 102 -6.787 -13.646 -0.412 810 HA PRO 103 HA PRO 103 -2.613 -18.685 2.109 811 HB2 PRO 103 HB2 PRO 103 -3.962 -20.214 3.949 812 HB3 PRO 103 HB3 PRO 103 -2.953 -18.824 4.409 813 HG2 PRO 103 HG2 PRO 103 -5.941 -18.961 4.110 814 HG3 PRO 103 HG3 PRO 103 -4.969 -18.179 5.380 815 HD2 PRO 103 HD2 PRO 103 -6.065 -16.776 3.304 816 HD3 PRO 103 HD3 PRO 103 -4.548 -16.291 4.090 817 H GLY 104 H GLY 104 -6.161 -19.015 1.842 818 HA2 GLY 104 HA2 GLY 104 -6.154 -21.666 0.756 819 HA3 GLY 104 HA3 GLY 104 -7.513 -20.555 0.829 820 H ASN 105 H ASN 105 -6.517 -18.419 -0.663 821 HA ASN 105 HA ASN 105 -6.372 -19.573 -3.401 822 HB2 ASN 105 HB2 ASN 105 -8.685 -18.793 -2.813 823 HB3 ASN 105 HB3 ASN 105 -8.060 -17.190 -2.475 824 HD21 ASN 105 HD21 ASN 105 -9.264 -16.137 -4.043 825 HD22 ASN 105 HD22 ASN 105 -9.044 -16.385 -5.742 826 H SER 106 H SER 106 -5.176 -18.399 -4.925 827 HA SER 106 HA SER 106 -3.393 -16.294 -4.041 828 HB2 SER 106 HB2 SER 106 -3.924 -17.394 -6.839 829 HB3 SER 106 HB3 SER 106 -2.628 -16.270 -6.411 830 HG SER 106 HG SER 106 -2.744 -18.543 -4.855 831 H GLU 107 H GLU 107 -5.121 -14.974 -3.241 832 HA GLU 107 HA GLU 107 -6.077 -13.022 -5.236 833 HB2 GLU 107 HB2 GLU 107 -8.002 -14.418 -4.515 834 HB3 GLU 107 HB3 GLU 107 -7.617 -14.096 -2.829 835 HG2 GLU 107 HG2 GLU 107 -8.014 -11.620 -3.362 836 HG3 GLU 107 HG3 GLU 107 -8.693 -12.163 -4.895 837 H MET 108 H MET 108 -5.812 -10.909 -4.548 838 HA MET 108 HA MET 108 -4.453 -10.443 -1.982 839 HB2 MET 108 HB2 MET 108 -2.995 -9.989 -3.975 840 HB3 MET 108 HB3 MET 108 -4.158 -8.785 -4.522 841 HG2 MET 108 HG2 MET 108 -3.778 -7.518 -2.390 842 HG3 MET 108 HG3 MET 108 -2.538 -8.692 -1.954 843 HE1 MET 108 HE1 MET 108 0.168 -8.026 -4.709 844 HE2 MET 108 HE2 MET 108 -1.134 -9.208 -4.822 845 HE3 MET 108 HE3 MET 108 -0.260 -8.999 -3.302 846 H GLN 109 H GLN 109 -5.452 -9.116 -0.633 847 HA GLN 109 HA GLN 109 -7.754 -7.487 -1.428 848 HB2 GLN 109 HB2 GLN 109 -6.950 -8.639 1.285 849 HB3 GLN 109 HB3 GLN 109 -8.397 -7.681 0.974 850 HG2 GLN 109 HG2 GLN 109 -9.245 -9.450 -0.525 851 HG3 GLN 109 HG3 GLN 109 -7.792 -10.405 -0.223 852 HE21 GLN 109 HE21 GLN 109 -9.083 -12.127 0.574 853 HE22 GLN 109 HE22 GLN 109 -9.819 -12.053 2.137 854 H ILE 110 H ILE 110 -7.448 -5.378 -1.305 855 HA ILE 110 HA ILE 110 -4.962 -4.232 -0.184 856 HB ILE 110 HB ILE 110 -6.666 -3.197 -2.514 857 HG12 ILE 110 HG12 ILE 110 -4.382 -3.501 -3.803 858 HG13 ILE 110 HG13 ILE 110 -3.951 -4.576 -2.484 859 HG21 ILE 110 HG21 ILE 110 -4.149 -1.976 -1.336 860 HG22 ILE 110 HG22 ILE 110 -5.781 -1.315 -1.224 861 HG23 ILE 110 HG23 ILE 110 -4.974 -1.409 -2.791 862 HD11 ILE 110 HD11 ILE 110 -4.757 -5.796 -4.421 863 HD12 ILE 110 HD12 ILE 110 -6.291 -4.927 -4.359 864 HD13 ILE 110 HD13 ILE 110 -5.842 -6.020 -3.049 865 H SER 111 H SER 111 -5.383 -3.153 1.667 866 HA SER 111 HA SER 111 -8.027 -1.906 2.147 867 HB2 SER 111 HB2 SER 111 -5.875 -2.668 4.188 868 HB3 SER 111 HB3 SER 111 -7.528 -2.146 4.531 869 HG SER 111 HG SER 111 -6.584 -4.619 3.945 870 H VAL 112 H VAL 112 -7.835 0.216 1.473 871 HA VAL 112 HA VAL 112 -5.342 1.701 2.067 872 HB VAL 112 HB VAL 112 -7.600 2.695 0.271 873 HG11 VAL 112 HG11 VAL 112 -5.845 4.214 -0.622 874 HG12 VAL 112 HG12 VAL 112 -4.679 3.526 0.511 875 HG13 VAL 112 HG13 VAL 112 -6.067 4.431 1.118 876 HG21 VAL 112 HG21 VAL 112 -5.116 1.184 -0.628 877 HG22 VAL 112 HG22 VAL 112 -6.297 1.953 -1.694 878 HG23 VAL 112 HG23 VAL 112 -6.773 0.578 -0.693 879 H LYS 113 H LYS 113 -5.391 2.942 3.786 880 HA LYS 113 HA LYS 113 -7.800 4.387 4.656 881 HB2 LYS 113 HB2 LYS 113 -5.851 3.223 6.699 882 HB3 LYS 113 HB3 LYS 113 -7.482 3.842 6.960 883 HG2 LYS 113 HG2 LYS 113 -8.255 1.805 5.542 884 HG3 LYS 113 HG3 LYS 113 -6.631 1.173 5.813 885 HD2 LYS 113 HD2 LYS 113 -8.714 1.843 7.924 886 HD3 LYS 113 HD3 LYS 113 -8.172 0.236 7.445 887 HE2 LYS 113 HE2 LYS 113 -5.916 0.776 8.319 888 HE3 LYS 113 HE3 LYS 113 -6.520 2.345 8.860 889 HZ1 LYS 113 HZ1 LYS 113 -7.546 -0.294 9.755 890 HZ2 LYS 113 HZ2 LYS 113 -8.084 1.212 10.297 891 HZ3 LYS 113 HZ3 LYS 113 -6.511 0.705 10.638 892 H GLN 114 H GLN 114 -7.262 6.547 4.833 893 HA GLN 114 HA GLN 114 -4.437 7.328 5.051 894 HB2 GLN 114 HB2 GLN 114 -4.713 8.920 3.139 895 HB3 GLN 114 HB3 GLN 114 -4.792 7.231 2.657 896 HG2 GLN 114 HG2 GLN 114 -7.321 7.455 2.655 897 HG3 GLN 114 HG3 GLN 114 -7.095 9.191 2.873 898 HE21 GLN 114 HE21 GLN 114 -6.192 10.409 1.135 899 HE22 GLN 114 HE22 GLN 114 -6.137 9.787 -0.476 900 H ASN 115 H ASN 115 -4.202 9.591 5.637 901 HA ASN 115 HA ASN 115 -5.940 10.154 7.851 902 HB2 ASN 115 HB2 ASN 115 -3.550 10.628 8.075 903 HB3 ASN 115 HB3 ASN 115 -3.599 11.729 6.702 904 HD21 ASN 115 HD21 ASN 115 -2.708 13.350 8.050 905 HD22 ASN 115 HD22 ASN 115 -3.676 14.220 9.181 906 H GLU 116 H GLU 116 -5.106 11.960 4.884 907 HA GLU 116 HA GLU 116 -7.771 13.276 4.946 908 HB2 GLU 116 HB2 GLU 116 -5.226 14.218 3.554 909 HB3 GLU 116 HB3 GLU 116 -6.763 15.084 3.635 910 HG2 GLU 116 HG2 GLU 116 -6.532 15.336 6.057 911 HG3 GLU 116 HG3 GLU 116 -5.037 14.396 6.034 912 H ALA 117 H ALA 117 -9.051 12.056 3.697 913 HA ALA 117 HA ALA 117 -8.105 10.692 1.311 914 HB1 ALA 117 HB1 ALA 117 -9.682 9.581 2.839 915 HB2 ALA 117 HB2 ALA 117 -10.396 9.785 1.238 916 HB3 ALA 117 HB3 ALA 117 -10.873 10.854 2.558 917 H ARG 118 H ARG 118 -7.875 11.883 -0.500 918 HA ARG 118 HA ARG 118 -10.077 13.665 -1.374 919 HB2 ARG 118 HB2 ARG 118 -7.734 14.656 -1.287 920 HB3 ARG 118 HB3 ARG 118 -7.241 13.493 -2.509 921 HG2 ARG 118 HG2 ARG 118 -8.546 14.535 -4.192 922 HG3 ARG 118 HG3 ARG 118 -9.541 15.388 -3.012 923 HD2 ARG 118 HD2 ARG 118 -8.141 17.042 -3.974 924 HD3 ARG 118 HD3 ARG 118 -7.462 16.717 -2.383 925 HE ARG 118 HE ARG 118 -6.336 15.869 -4.983 926 HH11 ARG 118 HH11 ARG 118 -5.819 16.358 -1.517 927 HH12 ARG 118 HH12 ARG 118 -4.103 16.146 -1.646 928 HH21 ARG 118 HH21 ARG 118 -4.119 15.659 -5.099 929 HH22 ARG 118 HH22 ARG 118 -3.137 15.751 -3.668 930 H THR 119 H THR 119 -11.203 13.016 -3.216 931 HA THR 119 HA THR 119 -11.262 10.300 -3.916 932 HB THR 119 HB THR 119 -12.655 11.032 -5.925 933 HG1 THR 119 HG1 THR 119 -12.378 13.013 -6.532 934 HG21 THR 119 HG21 THR 119 -13.457 12.215 -3.233 935 HG22 THR 119 HG22 THR 119 -13.734 10.550 -3.754 936 HG23 THR 119 HG23 THR 119 -14.553 11.878 -4.577 937 H GLU 120 H GLU 120 -9.631 13.031 -5.496 938 HA GLU 120 HA GLU 120 -8.558 11.793 -7.739 939 HB2 GLU 120 HB2 GLU 120 -8.378 14.191 -7.422 940 HB3 GLU 120 HB3 GLU 120 -7.396 13.973 -5.975 941 HG2 GLU 120 HG2 GLU 120 -5.611 12.925 -7.414 942 HG3 GLU 120 HG3 GLU 120 -6.583 13.317 -8.832 943 H THR 121 H THR 121 -7.087 12.097 -4.470 944 HA THR 121 HA THR 121 -4.649 10.834 -5.207 945 HB THR 121 HB THR 121 -4.213 10.723 -2.711 946 HG1 THR 121 HG1 THR 121 -5.773 12.071 -1.482 947 HG21 THR 121 HG21 THR 121 -3.989 13.157 -2.430 948 HG22 THR 121 HG22 THR 121 -5.053 13.415 -3.818 949 HG23 THR 121 HG23 THR 121 -3.481 12.643 -4.037 950 H LEU 122 H LEU 122 -7.541 9.690 -3.469 951 HA LEU 122 HA LEU 122 -6.625 7.161 -2.742 952 HB2 LEU 122 HB2 LEU 122 -8.609 8.221 -1.773 953 HB3 LEU 122 HB3 LEU 122 -9.439 8.154 -3.318 954 HG LEU 122 HG LEU 122 -9.577 5.693 -3.187 955 HD11 LEU 122 HD11 LEU 122 -8.878 4.453 -1.192 956 HD12 LEU 122 HD12 LEU 122 -8.142 5.914 -0.528 957 HD13 LEU 122 HD13 LEU 122 -7.503 5.193 -2.008 958 HD21 LEU 122 HD21 LEU 122 -11.130 5.486 -1.310 959 HD22 LEU 122 HD22 LEU 122 -11.382 7.001 -2.171 960 HD23 LEU 122 HD23 LEU 122 -10.531 6.998 -0.625 961 H ASN 123 H ASN 123 -8.605 8.131 -5.597 962 HA ASN 123 HA ASN 123 -8.832 5.549 -6.743 963 HB2 ASN 123 HB2 ASN 123 -9.061 8.292 -8.064 964 HB3 ASN 123 HB3 ASN 123 -9.480 6.782 -8.870 965 HD21 ASN 123 HD21 ASN 123 -11.145 9.105 -8.219 966 HD22 ASN 123 HD22 ASN 123 -12.462 8.495 -7.288 967 H SER 124 H SER 124 -6.543 8.196 -7.324 968 HA SER 124 HA SER 124 -5.180 6.954 -9.502 969 HB2 SER 124 HB2 SER 124 -4.337 9.280 -7.730 970 HB3 SER 124 HB3 SER 124 -3.549 8.817 -9.240 971 HG SER 124 HG SER 124 -5.725 10.331 -8.878 972 H PHE 125 H PHE 125 -4.668 6.968 -5.990 973 HA PHE 125 HA PHE 125 -2.013 5.925 -5.946 974 HB2 PHE 125 HB2 PHE 125 -3.142 7.082 -4.005 975 HB3 PHE 125 HB3 PHE 125 -4.165 5.671 -3.789 976 HD1 PHE 125 HD2 PHE 125 -0.755 7.034 -3.397 977 HD2 PHE 125 HD1 PHE 125 -3.243 3.596 -2.777 978 HE1 PHE 125 HE2 PHE 125 0.943 6.056 -1.915 979 HE2 PHE 125 HE1 PHE 125 -1.530 2.637 -1.299 980 HZ PHE 125 HZ PHE 125 0.558 3.861 -0.863 981 H ILE 126 H ILE 126 -5.230 4.452 -5.736 982 HA ILE 126 HA ILE 126 -4.460 1.738 -5.484 983 HB ILE 126 HB ILE 126 -7.010 2.900 -6.692 984 HG12 ILE 126 HG12 ILE 126 -6.628 1.875 -3.844 985 HG13 ILE 126 HG13 ILE 126 -6.434 3.569 -4.276 986 HG21 ILE 126 HG21 ILE 126 -8.050 0.705 -6.163 987 HG22 ILE 126 HG22 ILE 126 -6.477 0.091 -5.652 988 HG23 ILE 126 HG23 ILE 126 -6.739 0.544 -7.338 989 HD11 ILE 126 HD11 ILE 126 -8.612 3.131 -3.322 990 HD12 ILE 126 HD12 ILE 126 -8.964 1.962 -4.595 991 HD13 ILE 126 HD13 ILE 126 -8.751 3.672 -4.993 992 H SER 127 H SER 127 -5.123 3.835 -8.300 993 HA SER 127 HA SER 127 -4.903 1.957 -10.376 994 HB2 SER 127 HB2 SER 127 -4.219 4.923 -10.372 995 HB3 SER 127 HB3 SER 127 -4.314 3.927 -11.827 996 HG SER 127 HG SER 127 -6.431 4.178 -9.976 997 H VAL 128 H VAL 128 -2.405 3.874 -8.715 998 HA VAL 128 HA VAL 128 -0.150 3.075 -10.184 999 HB VAL 128 HB VAL 128 -0.399 3.941 -7.265 1000 HG11 VAL 128 HG11 VAL 128 2.156 3.618 -8.882 1001 HG12 VAL 128 HG12 VAL 128 1.679 2.641 -7.492 1002 HG13 VAL 128 HG13 VAL 128 2.048 4.353 -7.279 1003 HG21 VAL 128 HG21 VAL 128 0.509 5.481 -9.725 1004 HG22 VAL 128 HG22 VAL 128 0.451 6.120 -8.079 1005 HG23 VAL 128 HG23 VAL 128 -1.041 5.667 -8.905 1006 H LEU 129 H LEU 129 -1.488 1.716 -7.121 1007 HA LEU 129 HA LEU 129 0.184 -0.460 -6.777 1008 HB2 LEU 129 HB2 LEU 129 -2.802 -0.362 -6.189 1009 HB3 LEU 129 HB3 LEU 129 -1.675 -1.537 -5.521 1010 HG LEU 129 HG LEU 129 -1.676 1.457 -4.963 1011 HD11 LEU 129 HD11 LEU 129 -2.414 -0.879 -3.184 1012 HD12 LEU 129 HD12 LEU 129 -3.522 0.308 -3.881 1013 HD13 LEU 129 HD13 LEU 129 -2.332 0.815 -2.685 1014 HD21 LEU 129 HD21 LEU 129 0.089 0.993 -3.301 1015 HD22 LEU 129 HD22 LEU 129 0.626 0.619 -4.935 1016 HD23 LEU 129 HD23 LEU 129 0.168 -0.687 -3.839 1017 H GLU 130 H GLU 130 -2.838 -0.351 -8.692 1018 HA GLU 130 HA GLU 130 -2.906 -3.057 -9.519 1019 HB2 GLU 130 HB2 GLU 130 -4.128 -0.604 -10.848 1020 HB3 GLU 130 HB3 GLU 130 -4.538 -2.276 -11.236 1021 HG2 GLU 130 HG2 GLU 130 -5.399 -2.607 -8.948 1022 HG3 GLU 130 HG3 GLU 130 -4.977 -0.945 -8.544 1023 H THR 131 H THR 131 -1.415 -0.188 -10.902 1024 HA THR 131 HA THR 131 -0.567 -1.248 -13.384 1025 HB THR 131 HB THR 131 0.457 1.060 -11.684 1026 HG1 THR 131 HG1 THR 131 -1.706 0.931 -12.896 1027 HG21 THR 131 HG21 THR 131 1.662 1.887 -13.690 1028 HG22 THR 131 HG22 THR 131 1.275 0.387 -14.534 1029 HG23 THR 131 HG23 THR 131 2.334 0.352 -13.125 1030 H VAL 132 H VAL 132 1.106 -0.945 -10.232 1031 HA VAL 132 HA VAL 132 3.589 -2.061 -10.950 1032 HB VAL 132 HB VAL 132 2.216 -1.881 -8.224 1033 HG11 VAL 132 HG11 VAL 132 3.913 -3.668 -8.134 1034 HG12 VAL 132 HG12 VAL 132 4.454 -2.264 -7.209 1035 HG13 VAL 132 HG13 VAL 132 5.116 -2.572 -8.815 1036 HG21 VAL 132 HG21 VAL 132 2.687 0.302 -9.298 1037 HG22 VAL 132 HG22 VAL 132 4.382 -0.150 -9.483 1038 HG23 VAL 132 HG23 VAL 132 3.703 0.074 -7.870 1039 H ILE 133 H ILE 133 0.739 -3.541 -9.416 1040 HA ILE 133 HA ILE 133 1.765 -6.164 -9.110 1041 HB ILE 133 HB ILE 133 -1.108 -5.120 -9.136 1042 HG12 ILE 133 HG12 ILE 133 0.696 -5.850 -6.771 1043 HG13 ILE 133 HG13 ILE 133 0.348 -4.209 -7.305 1044 HG21 ILE 133 HG21 ILE 133 -1.147 -7.524 -9.664 1045 HG22 ILE 133 HG22 ILE 133 -1.802 -7.235 -8.051 1046 HG23 ILE 133 HG23 ILE 133 -0.166 -7.868 -8.239 1047 HD11 ILE 133 HD11 ILE 133 -1.655 -6.162 -6.185 1048 HD12 ILE 133 HD12 ILE 133 -2.008 -4.526 -6.749 1049 HD13 ILE 133 HD13 ILE 133 -0.953 -4.769 -5.359 1050 H GLY 134 H GLY 134 -0.150 -4.572 -11.640 1051 HA2 GLY 134 HA2 GLY 134 -0.753 -6.800 -13.268 1052 HA3 GLY 134 HA3 GLY 134 -0.737 -5.122 -13.780 1053 H THR 135 H THR 135 2.015 -4.572 -13.265 1054 HA THR 135 HA THR 135 3.302 -5.453 -15.634 1055 HB THR 135 HB THR 135 4.566 -4.197 -13.151 1056 HG1 THR 135 HG1 THR 135 2.726 -3.152 -14.529 1057 HG21 THR 135 HG21 THR 135 5.548 -4.174 -16.035 1058 HG22 THR 135 HG22 THR 135 6.257 -5.127 -14.726 1059 HG23 THR 135 HG23 THR 135 6.315 -3.361 -14.675 1060 H ILE 136 H ILE 136 3.166 -6.712 -12.392 1061 HA ILE 136 HA ILE 136 5.412 -8.557 -12.662 1062 HB ILE 136 HB ILE 136 3.289 -8.263 -10.485 1063 HG12 ILE 136 HG12 ILE 136 6.164 -7.244 -10.483 1064 HG13 ILE 136 HG13 ILE 136 4.758 -6.239 -10.811 1065 HG21 ILE 136 HG21 ILE 136 5.911 -9.797 -10.380 1066 HG22 ILE 136 HG22 ILE 136 4.303 -10.517 -10.460 1067 HG23 ILE 136 HG23 ILE 136 4.779 -9.589 -9.038 1068 HD11 ILE 136 HD11 ILE 136 3.915 -6.748 -8.550 1069 HD12 ILE 136 HD12 ILE 136 5.465 -5.911 -8.562 1070 HD13 ILE 136 HD13 ILE 136 5.405 -7.642 -8.228 1071 H GLU 137 H GLU 137 1.901 -8.524 -12.994 1072 HA GLU 137 HA GLU 137 1.780 -11.490 -13.177 1073 HB2 GLU 137 HB2 GLU 137 -0.311 -9.522 -12.137 1074 HB3 GLU 137 HB3 GLU 137 -0.572 -11.255 -12.327 1075 HG2 GLU 137 HG2 GLU 137 1.441 -9.949 -10.471 1076 HG3 GLU 137 HG3 GLU 137 -0.101 -10.659 -9.988 1077 H GLU 138 H GLU 138 2.059 -11.587 -15.386 1078 HA GLU 138 HA GLU 138 1.621 -11.564 -17.596 1079 HB2 GLU 138 HB2 GLU 138 -1.286 -11.416 -16.704 1080 HB3 GLU 138 HB3 GLU 138 -0.709 -12.003 -18.260 1081 HG2 GLU 138 HG2 GLU 138 -0.160 -13.316 -15.569 1082 HG3 GLU 138 HG3 GLU 138 -1.381 -13.828 -16.731 1083 H ILE 139 H ILE 139 2.489 -9.693 -18.337 1084 HA ILE 139 HA ILE 139 1.680 -7.086 -17.693 1085 HB ILE 139 HB ILE 139 3.433 -8.022 -20.018 1086 HG12 ILE 139 HG12 ILE 139 5.297 -6.986 -18.550 1087 HG13 ILE 139 HG13 ILE 139 4.118 -6.901 -17.252 1088 HG21 ILE 139 HG21 ILE 139 4.203 -5.676 -20.268 1089 HG22 ILE 139 HG22 ILE 139 3.023 -5.157 -19.065 1090 HG23 ILE 139 HG23 ILE 139 2.475 -5.823 -20.603 1091 HD11 ILE 139 HD11 ILE 139 5.077 -9.425 -18.596 1092 HD12 ILE 139 HD12 ILE 139 3.953 -9.331 -17.238 1093 HD13 ILE 139 HD13 ILE 139 5.626 -8.807 -17.037 1094 H LYS 140 H LYS 140 -0.286 -6.405 -18.113 1095 HA LYS 140 HA LYS 140 -1.396 -5.928 -20.695 1096 HB2 LYS 140 HB2 LYS 140 -1.832 -8.387 -20.559 1097 HB3 LYS 140 HB3 LYS 140 -2.630 -8.167 -19.010 1098 HG2 LYS 140 HG2 LYS 140 -4.412 -6.823 -20.173 1099 HG3 LYS 140 HG3 LYS 140 -3.623 -7.193 -21.713 1100 HD2 LYS 140 HD2 LYS 140 -3.955 -9.630 -21.271 1101 HD3 LYS 140 HD3 LYS 140 -4.779 -9.233 -19.763 1102 HE2 LYS 140 HE2 LYS 140 -5.735 -8.438 -22.534 1103 HE3 LYS 140 HE3 LYS 140 -6.344 -9.806 -21.606 1104 HZ1 LYS 140 HZ1 LYS 140 -7.045 -8.214 -19.886 1105 HZ2 LYS 140 HZ2 LYS 140 -7.816 -7.971 -21.365 1106 HZ3 LYS 140 HZ3 LYS 140 -6.574 -6.936 -20.884 1107 H SER 141 H SER 141 -1.221 -3.922 -19.563 1108 HA SER 141 HA SER 141 -3.486 -3.027 -18.093 1109 HB2 SER 141 HB2 SER 141 -2.278 -4.260 -16.244 1110 HB3 SER 141 HB3 SER 141 -0.868 -3.238 -16.503 1111 HG SER 141 HG SER 141 -3.058 -2.773 -15.035 Start of MODEL 5 1 H1 MET 1 H1 MET 1 10.041 60.365 5.257 2 H2 MET 1 H2 MET 1 11.384 61.384 5.279 3 H3 MET 1 H3 MET 1 11.583 59.742 4.950 4 HA MET 1 HA MET 1 10.211 61.758 3.277 5 HB2 MET 1 HB2 MET 1 12.727 60.091 2.768 6 HB3 MET 1 HB3 MET 1 11.988 61.184 1.602 7 HG2 MET 1 HG2 MET 1 13.932 62.234 2.613 8 HG3 MET 1 HG3 MET 1 12.471 63.094 3.105 9 HE1 MET 1 HE1 MET 1 14.779 63.430 6.284 10 HE2 MET 1 HE2 MET 1 13.889 64.303 5.034 11 HE3 MET 1 HE3 MET 1 15.347 63.401 4.618 12 H GLY 2 H GLY 2 8.249 60.683 3.074 13 HA2 GLY 2 HA2 GLY 2 6.721 59.223 2.203 14 HA3 GLY 2 HA3 GLY 2 8.018 58.508 1.253 15 H HIS 3 H HIS 3 7.861 56.367 1.602 16 HA HIS 3 HA HIS 3 7.956 54.336 2.544 17 HB2 HIS 3 HB2 HIS 3 9.407 55.874 4.737 18 HB3 HIS 3 HB3 HIS 3 9.279 54.117 4.718 19 HD1 HIS 3 HD1 HIS 3 11.159 56.922 3.249 20 HD2 HIS 3 HD2 HIS 3 10.729 52.849 2.582 21 HE1 HIS 3 HE1 HIS 3 13.093 56.279 1.794 22 HE2 HIS 3 HE2 HIS 3 12.911 53.784 1.562 23 H HIS 4 H HIS 4 5.576 54.624 2.596 24 HA HIS 4 HA HIS 4 4.363 54.628 5.282 25 HB2 HIS 4 HB2 HIS 4 3.176 54.603 2.469 26 HB3 HIS 4 HB3 HIS 4 2.191 54.403 3.917 27 HD1 HIS 4 HD1 HIS 4 0.902 56.567 3.413 28 HD2 HIS 4 HD2 HIS 4 4.986 57.165 3.926 29 HE1 HIS 4 HE1 HIS 4 1.198 59.049 3.693 30 HE2 HIS 4 HE2 HIS 4 3.639 59.350 4.171 31 H HIS 5 H HIS 5 3.229 52.801 6.082 32 HA HIS 5 HA HIS 5 4.031 50.199 4.920 33 HB2 HIS 5 HB2 HIS 5 4.990 50.787 7.196 34 HB3 HIS 5 HB3 HIS 5 3.351 50.798 7.838 35 HD1 HIS 5 HD1 HIS 5 2.294 48.539 8.373 36 HD2 HIS 5 HD2 HIS 5 5.992 48.187 6.509 37 HE1 HIS 5 HE1 HIS 5 2.930 46.118 8.582 38 HE2 HIS 5 HE2 HIS 5 5.267 45.998 7.677 39 H HIS 6 H HIS 6 1.983 51.110 3.638 40 HA HIS 6 HA HIS 6 -0.572 50.357 4.858 41 HB2 HIS 6 HB2 HIS 6 -0.327 52.459 3.450 42 HB3 HIS 6 HB3 HIS 6 -0.052 51.438 2.043 43 HD1 HIS 6 HD1 HIS 6 -2.116 50.476 0.894 44 HD2 HIS 6 HD2 HIS 6 -3.018 52.339 4.506 45 HE1 HIS 6 HE1 HIS 6 -4.621 50.612 0.983 46 HE2 HIS 6 HE2 HIS 6 -5.147 51.653 3.210 47 H HIS 7 H HIS 7 0.569 48.164 5.008 48 HA HIS 7 HA HIS 7 -0.557 46.410 2.940 49 HB2 HIS 7 HB2 HIS 7 2.321 46.238 3.961 50 HB3 HIS 7 HB3 HIS 7 1.506 44.879 3.200 51 HD1 HIS 7 HD1 HIS 7 3.989 47.037 2.319 52 HD2 HIS 7 HD2 HIS 7 0.359 46.149 0.495 53 HE1 HIS 7 HE1 HIS 7 4.290 47.631 -0.103 54 HE2 HIS 7 HE2 HIS 7 2.106 47.008 -1.191 55 H HIS 8 H HIS 8 -2.220 45.883 4.333 56 HA HIS 8 HA HIS 8 -1.740 45.145 7.111 57 HB2 HIS 8 HB2 HIS 8 -3.763 46.458 6.495 58 HB3 HIS 8 HB3 HIS 8 -4.337 45.139 5.481 59 HD1 HIS 8 HD1 HIS 8 -5.101 42.927 6.778 60 HD2 HIS 8 HD2 HIS 8 -4.419 46.247 9.187 61 HE1 HIS 8 HE1 HIS 8 -6.196 42.408 8.979 62 HE2 HIS 8 HE2 HIS 8 -5.908 44.490 10.344 63 H SER 9 H SER 9 -1.611 43.102 7.881 64 HA SER 9 HA SER 9 -1.096 40.874 6.251 65 HB2 SER 9 HB2 SER 9 -1.209 39.570 8.433 66 HB3 SER 9 HB3 SER 9 -0.155 40.984 8.496 67 HG SER 9 HG SER 9 -2.756 40.674 9.574 68 H HIS 10 H HIS 10 -2.624 40.201 4.879 69 HA HIS 10 HA HIS 10 -5.438 40.021 5.550 70 HB2 HIS 10 HB2 HIS 10 -5.621 39.143 3.139 71 HB3 HIS 10 HB3 HIS 10 -5.061 40.796 3.334 72 HD1 HIS 10 HD1 HIS 10 -2.586 41.285 2.740 73 HD2 HIS 10 HD2 HIS 10 -3.809 37.388 1.935 74 HE1 HIS 10 HE1 HIS 10 -0.825 40.319 1.225 75 HE2 HIS 10 HE2 HIS 10 -1.680 38.033 0.617 76 H MET 11 H MET 11 -5.968 38.394 6.879 77 HA MET 11 HA MET 11 -4.843 35.720 6.693 78 HB2 MET 11 HB2 MET 11 -5.563 36.821 8.883 79 HB3 MET 11 HB3 MET 11 -7.231 36.701 8.349 80 HG2 MET 11 HG2 MET 11 -7.031 34.235 8.320 81 HG3 MET 11 HG3 MET 11 -5.363 34.376 8.877 82 HE1 MET 11 HE1 MET 11 -9.045 35.600 11.431 83 HE2 MET 11 HE2 MET 11 -9.166 34.989 9.784 84 HE3 MET 11 HE3 MET 11 -8.490 36.594 10.082 85 H GLN 12 H GLN 12 -5.392 35.597 4.405 86 HA GLN 12 HA GLN 12 -7.889 34.413 3.686 87 HB2 GLN 12 HB2 GLN 12 -8.612 36.790 3.786 88 HB3 GLN 12 HB3 GLN 12 -7.291 37.264 2.721 89 HG2 GLN 12 HG2 GLN 12 -8.299 35.916 0.901 90 HG3 GLN 12 HG3 GLN 12 -9.626 35.473 1.974 91 HE21 GLN 12 HE21 GLN 12 -8.174 38.060 0.130 92 HE22 GLN 12 HE22 GLN 12 -9.526 39.134 0.177 93 H GLU 13 H GLU 13 -7.084 32.880 2.405 94 HA GLU 13 HA GLU 13 -5.779 33.430 -0.069 95 HB2 GLU 13 HB2 GLU 13 -3.779 33.495 1.473 96 HB3 GLU 13 HB3 GLU 13 -4.142 31.856 2.004 97 HG2 GLU 13 HG2 GLU 13 -3.761 31.041 -0.303 98 HG3 GLU 13 HG3 GLU 13 -3.398 32.686 -0.824 99 H LEU 14 H LEU 14 -7.345 32.238 -1.121 100 HA LEU 14 HA LEU 14 -8.353 29.737 -0.010 101 HB2 LEU 14 HB2 LEU 14 -9.158 31.325 -2.475 102 HB3 LEU 14 HB3 LEU 14 -9.837 29.754 -2.087 103 HG LEU 14 HG LEU 14 -10.629 30.765 0.133 104 HD11 LEU 14 HD11 LEU 14 -9.961 33.393 -1.215 105 HD12 LEU 14 HD12 LEU 14 -9.221 32.737 0.248 106 HD13 LEU 14 HD13 LEU 14 -10.921 33.201 0.257 107 HD21 LEU 14 HD21 LEU 14 -12.632 31.754 -0.870 108 HD22 LEU 14 HD22 LEU 14 -12.141 30.285 -1.710 109 HD23 LEU 14 HD23 LEU 14 -11.808 31.863 -2.430 110 HA PRO 15 HA PRO 15 -5.469 27.484 -2.714 111 HB2 PRO 15 HB2 PRO 15 -5.571 25.100 -1.361 112 HB3 PRO 15 HB3 PRO 15 -4.700 26.507 -0.725 113 HG2 PRO 15 HG2 PRO 15 -7.206 25.298 0.232 114 HG3 PRO 15 HG3 PRO 15 -6.089 26.390 1.072 115 HD2 PRO 15 HD2 PRO 15 -8.588 27.057 -0.274 116 HD3 PRO 15 HD3 PRO 15 -7.543 28.117 0.695 117 H ASP 16 H ASP 16 -5.745 24.866 -3.402 118 HA ASP 16 HA ASP 16 -8.527 24.421 -4.352 119 HB2 ASP 16 HB2 ASP 16 -7.713 23.465 -6.409 120 HB3 ASP 16 HB3 ASP 16 -6.891 25.007 -6.229 121 H SER 17 H SER 17 -8.849 21.977 -4.811 122 HA SER 17 HA SER 17 -8.711 20.523 -2.468 123 HB2 SER 17 HB2 SER 17 -10.276 19.915 -4.244 124 HB3 SER 17 HB3 SER 17 -8.957 19.479 -5.327 125 HG SER 17 HG SER 17 -8.874 18.152 -2.934 126 H GLY 18 H GLY 18 -6.487 20.397 -5.256 127 HA2 GLY 18 HA2 GLY 18 -4.152 20.126 -5.062 128 HA3 GLY 18 HA3 GLY 18 -4.367 19.323 -3.516 129 H ALA 19 H ALA 19 -3.521 18.818 -6.646 130 HA ALA 19 HA ALA 19 -4.614 16.218 -7.158 131 HB1 ALA 19 HB1 ALA 19 -2.943 16.130 -8.993 132 HB2 ALA 19 HB2 ALA 19 -2.185 17.601 -8.367 133 HB3 ALA 19 HB3 ALA 19 -3.833 17.653 -8.994 134 H LEU 20 H LEU 20 -3.496 14.230 -7.089 135 HA LEU 20 HA LEU 20 -1.672 13.855 -4.886 136 HB2 LEU 20 HB2 LEU 20 -3.445 12.177 -5.446 137 HB3 LEU 20 HB3 LEU 20 -2.636 11.850 -6.971 138 HG LEU 20 HG LEU 20 -0.605 11.075 -5.682 139 HD11 LEU 20 HD11 LEU 20 -0.938 12.306 -3.643 140 HD12 LEU 20 HD12 LEU 20 -0.862 10.585 -3.286 141 HD13 LEU 20 HD13 LEU 20 -2.419 11.415 -3.292 142 HD21 LEU 20 HD21 LEU 20 -1.518 8.904 -4.977 143 HD22 LEU 20 HD22 LEU 20 -2.181 9.411 -6.528 144 HD23 LEU 20 HD23 LEU 20 -3.158 9.557 -5.065 145 H MET 21 H MET 21 0.382 14.701 -5.318 146 HA MET 21 HA MET 21 1.907 13.128 -7.336 147 HB2 MET 21 HB2 MET 21 2.003 15.592 -7.837 148 HB3 MET 21 HB3 MET 21 2.686 15.881 -6.242 149 HG2 MET 21 HG2 MET 21 4.660 14.528 -6.837 150 HG3 MET 21 HG3 MET 21 3.977 14.218 -8.431 151 HE1 MET 21 HE1 MET 21 5.589 18.302 -6.976 152 HE2 MET 21 HE2 MET 21 5.676 16.807 -6.048 153 HE3 MET 21 HE3 MET 21 4.120 17.606 -6.288 154 H LEU 22 H LEU 22 2.607 11.416 -6.123 155 HA LEU 22 HA LEU 22 3.158 11.582 -3.316 156 HB2 LEU 22 HB2 LEU 22 3.617 9.388 -5.383 157 HB3 LEU 22 HB3 LEU 22 3.954 9.174 -3.672 158 HG LEU 22 HG LEU 22 1.194 9.800 -4.789 159 HD11 LEU 22 HD11 LEU 22 0.646 7.444 -4.405 160 HD12 LEU 22 HD12 LEU 22 2.318 7.111 -3.943 161 HD13 LEU 22 HD13 LEU 22 1.937 7.612 -5.593 162 HD21 LEU 22 HD21 LEU 22 0.405 9.110 -2.548 163 HD22 LEU 22 HD22 LEU 22 1.450 10.526 -2.482 164 HD23 LEU 22 HD23 LEU 22 2.082 8.947 -2.015 165 H VAL 23 H VAL 23 5.008 12.263 -2.445 166 HA VAL 23 HA VAL 23 7.521 12.239 -4.018 167 HB VAL 23 HB VAL 23 8.387 13.937 -2.499 168 HG11 VAL 23 HG11 VAL 23 6.844 15.825 -2.943 169 HG12 VAL 23 HG12 VAL 23 5.558 14.685 -3.352 170 HG13 VAL 23 HG13 VAL 23 7.011 14.771 -4.351 171 HG21 VAL 23 HG21 VAL 23 5.817 13.695 -0.878 172 HG22 VAL 23 HG22 VAL 23 7.095 14.886 -0.609 173 HG23 VAL 23 HG23 VAL 23 7.424 13.169 -0.371 174 HA PRO 24 HA PRO 24 9.139 8.878 -1.519 175 HB2 PRO 24 HB2 PRO 24 11.788 9.639 -1.099 176 HB3 PRO 24 HB3 PRO 24 11.192 8.962 -2.626 177 HG2 PRO 24 HG2 PRO 24 11.657 11.835 -1.900 178 HG3 PRO 24 HG3 PRO 24 12.043 10.980 -3.412 179 HD2 PRO 24 HD2 PRO 24 9.859 12.559 -3.224 180 HD3 PRO 24 HD3 PRO 24 9.835 11.063 -4.186 181 H ASN 25 H ASN 25 8.123 8.879 0.402 182 HA ASN 25 HA ASN 25 8.261 11.004 2.325 183 HB2 ASN 25 HB2 ASN 25 6.733 9.597 3.685 184 HB3 ASN 25 HB3 ASN 25 6.164 9.779 2.034 185 HD21 ASN 25 HD21 ASN 25 5.898 7.650 4.260 186 HD22 ASN 25 HD22 ASN 25 6.159 6.170 3.407 187 H ARG 26 H ARG 26 8.496 10.365 4.714 188 HA ARG 26 HA ARG 26 11.147 9.294 5.190 189 HB2 ARG 26 HB2 ARG 26 9.060 10.146 7.244 190 HB3 ARG 26 HB3 ARG 26 10.782 9.943 7.527 191 HG2 ARG 26 HG2 ARG 26 9.439 12.113 5.888 192 HG3 ARG 26 HG3 ARG 26 10.236 12.298 7.446 193 HD2 ARG 26 HD2 ARG 26 11.770 13.156 5.863 194 HD3 ARG 26 HD3 ARG 26 12.390 11.554 6.268 195 HE ARG 26 HE ARG 26 10.668 11.670 3.935 196 HH11 ARG 26 HH11 ARG 26 14.039 11.902 5.006 197 HH12 ARG 26 HH12 ARG 26 14.651 11.483 3.435 198 HH21 ARG 26 HH21 ARG 26 11.539 11.057 1.936 199 HH22 ARG 26 HH22 ARG 26 13.261 11.014 1.735 200 H GLN 27 H GLN 27 11.624 7.293 6.003 201 HA GLN 27 HA GLN 27 9.789 5.166 5.841 202 HB2 GLN 27 HB2 GLN 27 11.625 3.814 7.032 203 HB3 GLN 27 HB3 GLN 27 12.104 4.605 5.535 204 HG2 GLN 27 HG2 GLN 27 13.215 6.383 6.781 205 HG3 GLN 27 HG3 GLN 27 12.667 5.695 8.309 206 HE21 GLN 27 HE21 GLN 27 15.385 6.232 7.315 207 HE22 GLN 27 HE22 GLN 27 16.224 4.729 7.418 208 H LEU 28 H LEU 28 7.993 5.321 7.079 209 HA LEU 28 HA LEU 28 7.912 6.134 9.820 210 HB2 LEU 28 HB2 LEU 28 5.833 4.478 8.331 211 HB3 LEU 28 HB3 LEU 28 5.568 5.450 9.769 212 HG LEU 28 HG LEU 28 6.099 6.456 6.943 213 HD11 LEU 28 HD11 LEU 28 3.676 6.778 8.741 214 HD12 LEU 28 HD12 LEU 28 3.799 5.731 7.324 215 HD13 LEU 28 HD13 LEU 28 3.877 7.479 7.132 216 HD21 LEU 28 HD21 LEU 28 7.312 7.913 8.462 217 HD22 LEU 28 HD22 LEU 28 5.881 8.107 9.476 218 HD23 LEU 28 HD23 LEU 28 5.893 8.749 7.831 219 H THR 29 H THR 29 7.998 4.884 11.689 220 HA THR 29 HA THR 29 9.154 2.262 11.579 221 HB THR 29 HB THR 29 8.929 2.255 14.055 222 HG1 THR 29 HG1 THR 29 8.061 4.372 14.926 223 HG21 THR 29 HG21 THR 29 9.877 4.949 13.022 224 HG22 THR 29 HG22 THR 29 10.843 3.472 13.084 225 HG23 THR 29 HG23 THR 29 10.295 4.231 14.579 226 H ALA 30 H ALA 30 8.133 0.308 12.330 227 HA ALA 30 HA ALA 30 5.576 -0.244 11.375 228 HB1 ALA 30 HB1 ALA 30 5.771 -2.390 12.576 229 HB2 ALA 30 HB2 ALA 30 7.136 -1.756 13.503 230 HB3 ALA 30 HB3 ALA 30 7.272 -1.965 11.754 231 H ASP 31 H ASP 31 6.588 0.866 14.564 232 HA ASP 31 HA ASP 31 4.076 0.586 15.898 233 HB2 ASP 31 HB2 ASP 31 6.477 2.362 16.533 234 HB3 ASP 31 HB3 ASP 31 5.080 2.186 17.590 235 H TYR 32 H TYR 32 5.659 3.280 14.153 236 HA TYR 32 HA TYR 32 3.780 5.318 14.769 237 HB2 TYR 32 HB2 TYR 32 6.100 5.737 13.887 238 HB3 TYR 32 HB3 TYR 32 5.615 5.094 12.328 239 HD1 TYR 32 HD1 TYR 32 3.945 6.416 10.917 240 HD2 TYR 32 HD2 TYR 32 5.653 8.018 14.491 241 HE1 TYR 32 HE1 TYR 32 3.323 8.680 10.195 242 HE2 TYR 32 HE2 TYR 32 5.019 10.281 13.770 243 HH TYR 32 HH TYR 32 4.566 11.444 11.581 244 H PHE 33 H PHE 33 4.226 3.237 11.941 245 HA PHE 33 HA PHE 33 2.097 3.918 10.326 246 HB2 PHE 33 HB2 PHE 33 3.890 2.277 9.683 247 HB3 PHE 33 HB3 PHE 33 3.194 1.087 10.774 248 HD1 PHE 33 HD1 PHE 33 0.711 0.327 10.263 249 HD2 PHE 33 HD2 PHE 33 3.167 2.377 7.437 250 HE1 PHE 33 HE1 PHE 33 -0.755 -0.424 8.441 251 HE2 PHE 33 HE2 PHE 33 1.698 1.606 5.634 252 HZ PHE 33 HZ PHE 33 -0.271 0.226 6.121 253 H GLU 34 H GLU 34 2.245 1.394 12.848 254 HA GLU 34 HA GLU 34 -0.305 0.332 12.670 255 HB2 GLU 34 HB2 GLU 34 1.540 -0.705 13.937 256 HB3 GLU 34 HB3 GLU 34 1.458 0.571 15.150 257 HG2 GLU 34 HG2 GLU 34 -0.862 -0.178 15.712 258 HG3 GLU 34 HG3 GLU 34 -0.689 -1.496 14.553 259 H LYS 35 H LYS 35 0.824 2.949 14.826 260 HA LYS 35 HA LYS 35 -1.577 3.382 16.240 261 HB2 LYS 35 HB2 LYS 35 0.609 4.248 17.015 262 HB3 LYS 35 HB3 LYS 35 0.688 5.328 15.629 263 HG2 LYS 35 HG2 LYS 35 -1.441 6.436 16.515 264 HG3 LYS 35 HG3 LYS 35 -1.225 5.478 17.982 265 HD2 LYS 35 HD2 LYS 35 -0.307 7.732 18.301 266 HD3 LYS 35 HD3 LYS 35 0.998 6.543 18.335 267 HE2 LYS 35 HE2 LYS 35 1.545 7.092 15.975 268 HE3 LYS 35 HE3 LYS 35 0.252 8.296 15.961 269 HZ1 LYS 35 HZ1 LYS 35 1.396 9.551 17.630 270 HZ2 LYS 35 HZ2 LYS 35 2.479 9.243 16.371 271 HZ3 LYS 35 HZ3 LYS 35 2.581 8.360 17.808 272 H THR 36 H THR 36 -0.222 4.993 13.362 273 HA THR 36 HA THR 36 -2.302 6.874 12.981 274 HB THR 36 HB THR 36 -0.384 5.842 10.833 275 HG1 THR 36 HG1 THR 36 1.155 6.698 12.003 276 HG21 THR 36 HG21 THR 36 -2.143 7.386 9.989 277 HG22 THR 36 HG22 THR 36 -0.547 8.137 9.927 278 HG23 THR 36 HG23 THR 36 -1.677 8.577 11.209 279 H TRP 37 H TRP 37 -1.765 3.618 11.740 280 HA TRP 37 HA TRP 37 -3.804 3.416 9.817 281 HB2 TRP 37 HB2 TRP 37 -1.873 1.866 9.940 282 HB3 TRP 37 HB3 TRP 37 -2.419 1.262 11.499 283 HD1 TRP 37 HD1 TRP 37 -4.242 -0.637 11.483 284 HE1 TRP 37 HE1 TRP 37 -5.355 -2.025 9.636 285 HE3 TRP 37 HE3 TRP 37 -2.685 1.996 7.395 286 HZ2 TRP 37 HZ2 TRP 37 -5.532 -2.049 6.843 287 HZ3 TRP 37 HZ3 TRP 37 -3.367 1.219 5.160 288 HH2 TRP 37 HH2 TRP 37 -4.764 -0.765 4.888 289 H LEU 38 H LEU 38 -3.713 2.483 13.268 290 HA LEU 38 HA LEU 38 -6.425 1.615 13.446 291 HB2 LEU 38 HB2 LEU 38 -4.511 2.505 15.648 292 HB3 LEU 38 HB3 LEU 38 -6.049 1.703 15.923 293 HG LEU 38 HG LEU 38 -3.673 0.462 14.478 294 HD11 LEU 38 HD11 LEU 38 -3.407 -0.952 16.464 295 HD12 LEU 38 HD12 LEU 38 -4.701 -0.068 17.280 296 HD13 LEU 38 HD13 LEU 38 -3.201 0.756 16.848 297 HD21 LEU 38 HD21 LEU 38 -4.928 -1.662 14.618 298 HD22 LEU 38 HD22 LEU 38 -5.758 -0.466 13.629 299 HD23 LEU 38 HD23 LEU 38 -6.324 -0.795 15.268 300 H SER 39 H SER 39 -4.854 4.713 13.640 301 HA SER 39 HA SER 39 -7.004 6.144 14.920 302 HB2 SER 39 HB2 SER 39 -4.591 6.805 15.132 303 HB3 SER 39 HB3 SER 39 -4.585 7.255 13.425 304 HG SER 39 HG SER 39 -5.868 8.476 15.607 305 H LEU 40 H LEU 40 -6.251 5.236 11.627 306 HA LEU 40 HA LEU 40 -8.067 7.273 10.485 307 HB2 LEU 40 HB2 LEU 40 -5.753 5.666 9.318 308 HB3 LEU 40 HB3 LEU 40 -6.915 6.477 8.287 309 HG LEU 40 HG LEU 40 -5.151 7.933 10.294 310 HD11 LEU 40 HD11 LEU 40 -3.747 6.866 8.583 311 HD12 LEU 40 HD12 LEU 40 -3.764 8.615 8.381 312 HD13 LEU 40 HD13 LEU 40 -4.721 7.594 7.301 313 HD21 LEU 40 HD21 LEU 40 -6.871 8.937 8.007 314 HD22 LEU 40 HD22 LEU 40 -5.809 9.937 9.007 315 HD23 LEU 40 HD23 LEU 40 -7.198 9.132 9.731 316 H LYS 41 H LYS 41 -9.288 6.512 8.633 317 HA LYS 41 HA LYS 41 -10.426 3.818 9.079 318 HB2 LYS 41 HB2 LYS 41 -11.916 5.860 9.481 319 HB3 LYS 41 HB3 LYS 41 -11.759 6.246 7.767 320 HG2 LYS 41 HG2 LYS 41 -12.763 4.068 7.197 321 HG3 LYS 41 HG3 LYS 41 -12.936 3.708 8.914 322 HD2 LYS 41 HD2 LYS 41 -14.494 5.630 9.151 323 HD3 LYS 41 HD3 LYS 41 -14.307 5.987 7.430 324 HE2 LYS 41 HE2 LYS 41 -15.246 3.735 6.903 325 HE3 LYS 41 HE3 LYS 41 -15.506 3.469 8.628 326 HZ1 LYS 41 HZ1 LYS 41 -16.759 5.607 6.986 327 HZ2 LYS 41 HZ2 LYS 41 -16.993 5.393 8.645 328 HZ3 LYS 41 HZ3 LYS 41 -17.521 4.211 7.557 329 H VAL 42 H VAL 42 -10.697 2.464 7.308 330 HA VAL 42 HA VAL 42 -9.011 2.664 5.045 331 HB VAL 42 HB VAL 42 -11.488 0.884 5.392 332 HG11 VAL 42 HG11 VAL 42 -10.436 -0.608 3.709 333 HG12 VAL 42 HG12 VAL 42 -9.134 0.566 3.487 334 HG13 VAL 42 HG13 VAL 42 -10.788 0.989 3.039 335 HG21 VAL 42 HG21 VAL 42 -9.853 0.545 7.216 336 HG22 VAL 42 HG22 VAL 42 -8.584 0.240 6.030 337 HG23 VAL 42 HG23 VAL 42 -9.947 -0.875 6.171 338 H ALA 43 H ALA 43 -9.278 3.835 3.268 339 HA ALA 43 HA ALA 43 -11.703 5.396 2.793 340 HB1 ALA 43 HB1 ALA 43 -9.500 6.489 2.658 341 HB2 ALA 43 HB2 ALA 43 -10.338 6.580 1.109 342 HB3 ALA 43 HB3 ALA 43 -9.030 5.416 1.337 343 H HIS 44 H HIS 44 -9.788 2.913 1.178 344 HA HIS 44 HA HIS 44 -12.096 1.956 -0.355 345 HB2 HIS 44 HB2 HIS 44 -11.019 3.527 -1.894 346 HB3 HIS 44 HB3 HIS 44 -9.435 2.845 -1.572 347 HD2 HIS 44 HD2 HIS 44 -8.759 0.611 -3.068 348 HE1 HIS 44 HE1 HIS 44 -12.289 0.595 -5.389 349 HE2 HIS 44 HE2 HIS 44 -9.885 -0.176 -5.258 350 H GLN 45 H GLN 45 -11.859 -0.282 -0.916 351 HA GLN 45 HA GLN 45 -9.310 -1.617 -0.411 352 HB2 GLN 45 HB2 GLN 45 -10.521 -1.808 1.761 353 HB3 GLN 45 HB3 GLN 45 -11.878 -2.581 0.946 354 HG2 GLN 45 HG2 GLN 45 -10.501 -4.505 0.365 355 HG3 GLN 45 HG3 GLN 45 -9.054 -3.708 0.990 356 HE21 GLN 45 HE21 GLN 45 -8.602 -5.329 2.489 357 HE22 GLN 45 HE22 GLN 45 -9.579 -5.631 3.878 358 H GLN 46 H GLN 46 -8.924 -2.968 -2.039 359 HA GLN 46 HA GLN 46 -11.111 -3.850 -3.843 360 HB2 GLN 46 HB2 GLN 46 -9.915 -1.852 -4.746 361 HB3 GLN 46 HB3 GLN 46 -8.382 -2.709 -4.634 362 HG2 GLN 46 HG2 GLN 46 -9.146 -4.326 -6.314 363 HG3 GLN 46 HG3 GLN 46 -10.717 -3.523 -6.397 364 HE21 GLN 46 HE21 GLN 46 -8.839 -3.930 -8.560 365 HE22 GLN 46 HE22 GLN 46 -8.396 -2.374 -9.147 366 H VAL 47 H VAL 47 -10.983 -5.983 -4.361 367 HA VAL 47 HA VAL 47 -8.636 -7.564 -3.481 368 HB VAL 47 HB VAL 47 -11.415 -8.580 -4.301 369 HG11 VAL 47 HG11 VAL 47 -10.755 -10.670 -3.172 370 HG12 VAL 47 HG12 VAL 47 -9.165 -9.990 -2.815 371 HG13 VAL 47 HG13 VAL 47 -9.644 -10.283 -4.488 372 HG21 VAL 47 HG21 VAL 47 -10.367 -8.072 -1.489 373 HG22 VAL 47 HG22 VAL 47 -11.919 -8.809 -1.899 374 HG23 VAL 47 HG23 VAL 47 -11.604 -7.125 -2.320 375 H LEU 48 H LEU 48 -7.353 -8.578 -4.994 376 HA LEU 48 HA LEU 48 -8.116 -8.565 -7.848 377 HB2 LEU 48 HB2 LEU 48 -5.405 -7.913 -6.610 378 HB3 LEU 48 HB3 LEU 48 -5.643 -8.208 -8.324 379 HG LEU 48 HG LEU 48 -6.807 -5.893 -6.730 380 HD11 LEU 48 HD11 LEU 48 -4.676 -5.920 -8.889 381 HD12 LEU 48 HD12 LEU 48 -4.410 -5.649 -7.164 382 HD13 LEU 48 HD13 LEU 48 -5.342 -4.485 -8.101 383 HD21 LEU 48 HD21 LEU 48 -7.122 -6.522 -9.683 384 HD22 LEU 48 HD22 LEU 48 -7.661 -5.046 -8.875 385 HD23 LEU 48 HD23 LEU 48 -8.391 -6.593 -8.456 386 HA PRO 49 HA PRO 49 -7.095 -12.993 -7.348 387 HB2 PRO 49 HB2 PRO 49 -7.385 -13.744 -9.979 388 HB3 PRO 49 HB3 PRO 49 -8.779 -13.415 -8.928 389 HG2 PRO 49 HG2 PRO 49 -7.485 -11.616 -10.955 390 HG3 PRO 49 HG3 PRO 49 -9.214 -11.928 -10.669 391 HD2 PRO 49 HD2 PRO 49 -7.979 -9.703 -9.688 392 HD3 PRO 49 HD3 PRO 49 -9.308 -10.511 -8.819 393 H TRP 50 H TRP 50 -5.195 -14.117 -7.446 394 HA TRP 50 HA TRP 50 -2.996 -13.130 -9.176 395 HB2 TRP 50 HB2 TRP 50 -2.805 -12.733 -6.598 396 HB3 TRP 50 HB3 TRP 50 -2.570 -14.472 -6.457 397 HD1 TRP 50 HD1 TRP 50 -0.246 -15.474 -7.555 398 HE1 TRP 50 HE1 TRP 50 2.006 -14.335 -8.057 399 HE3 TRP 50 HE3 TRP 50 -1.684 -10.568 -7.233 400 HZ2 TRP 50 HZ2 TRP 50 3.050 -11.741 -8.255 401 HZ3 TRP 50 HZ3 TRP 50 0.015 -8.816 -7.578 402 HH2 TRP 50 HH2 TRP 50 2.335 -9.394 -8.080 403 H ARG 51 H ARG 51 -1.745 -14.750 -10.183 404 HA ARG 51 HA ARG 51 -2.591 -17.580 -9.871 405 HB2 ARG 51 HB2 ARG 51 -2.018 -16.262 -12.579 406 HB3 ARG 51 HB3 ARG 51 -2.437 -17.945 -12.296 407 HG2 ARG 51 HG2 ARG 51 -4.433 -17.040 -13.102 408 HG3 ARG 51 HG3 ARG 51 -4.684 -17.040 -11.358 409 HD2 ARG 51 HD2 ARG 51 -4.159 -14.637 -11.259 410 HD3 ARG 51 HD3 ARG 51 -3.793 -14.622 -12.984 411 HE ARG 51 HE ARG 51 -6.505 -15.347 -12.089 412 HH11 ARG 51 HH11 ARG 51 -4.364 -13.051 -13.669 413 HH12 ARG 51 HH12 ARG 51 -5.663 -12.157 -14.378 414 HH21 ARG 51 HH21 ARG 51 -8.182 -14.131 -13.004 415 HH22 ARG 51 HH22 ARG 51 -7.816 -12.765 -14.003 416 H GLY 52 H GLY 52 -0.948 -19.093 -10.669 417 HA2 GLY 52 HA2 GLY 52 1.170 -19.935 -10.712 418 HA3 GLY 52 HA3 GLY 52 1.736 -18.350 -11.219 419 H GLU 53 H GLU 53 3.315 -17.720 -9.892 420 HA GLU 53 HA GLU 53 3.167 -18.213 -6.970 421 HB2 GLU 53 HB2 GLU 53 5.623 -17.895 -8.765 422 HB3 GLU 53 HB3 GLU 53 5.656 -18.191 -7.029 423 HG2 GLU 53 HG2 GLU 53 4.675 -20.402 -7.335 424 HG3 GLU 53 HG3 GLU 53 4.451 -20.098 -9.056 425 H PHE 54 H PHE 54 3.793 -16.512 -5.610 426 HA PHE 54 HA PHE 54 3.357 -13.831 -6.662 427 HB2 PHE 54 HB2 PHE 54 2.148 -14.470 -4.616 428 HB3 PHE 54 HB3 PHE 54 3.664 -14.838 -3.794 429 HD1 PHE 54 HD2 PHE 54 1.781 -12.053 -5.413 430 HD2 PHE 54 HD1 PHE 54 4.804 -13.125 -2.597 431 HE1 PHE 54 HE2 PHE 54 1.996 -9.697 -4.747 432 HE2 PHE 54 HE1 PHE 54 5.004 -10.772 -1.946 433 HZ PHE 54 HZ PHE 54 3.615 -9.062 -3.018 434 H HIS 55 H HIS 55 4.802 -12.091 -6.394 435 HA HIS 55 HA HIS 55 7.648 -12.735 -5.864 436 HB2 HIS 55 HB2 HIS 55 6.435 -11.154 -8.167 437 HB3 HIS 55 HB3 HIS 55 8.136 -11.017 -7.733 438 HD1 HIS 55 HD1 HIS 55 9.666 -12.651 -8.793 439 HD2 HIS 55 HD2 HIS 55 5.723 -13.956 -8.921 440 HE1 HIS 55 HE1 HIS 55 9.693 -14.757 -10.149 441 HE2 HIS 55 HE2 HIS 55 7.290 -15.442 -10.333 442 HA PRO 56 HA PRO 56 6.594 -9.228 -3.027 443 HB2 PRO 56 HB2 PRO 56 8.410 -9.819 -1.060 444 HB3 PRO 56 HB3 PRO 56 6.865 -10.678 -1.222 445 HG2 PRO 56 HG2 PRO 56 9.594 -11.539 -2.117 446 HG3 PRO 56 HG3 PRO 56 8.322 -12.486 -1.315 447 HD2 PRO 56 HD2 PRO 56 8.761 -12.594 -4.019 448 HD3 PRO 56 HD3 PRO 56 7.164 -12.862 -3.287 449 H ASP 57 H ASP 57 9.840 -10.245 -4.010 450 HA ASP 57 HA ASP 57 11.214 -7.832 -3.448 451 HB2 ASP 57 HB2 ASP 57 11.949 -9.933 -5.549 452 HB3 ASP 57 HB3 ASP 57 13.031 -8.734 -4.848 453 H THR 58 H THR 58 9.684 -9.119 -6.363 454 HA THR 58 HA THR 58 10.437 -7.088 -8.190 455 HB THR 58 HB THR 58 7.995 -8.929 -8.340 456 HG1 THR 58 HG1 THR 58 10.665 -9.395 -9.255 457 HG21 THR 58 HG21 THR 58 8.265 -8.736 -10.783 458 HG22 THR 58 HG22 THR 58 9.625 -7.635 -10.561 459 HG23 THR 58 HG23 THR 58 8.004 -7.141 -10.067 460 H LEU 59 H LEU 59 7.483 -7.679 -6.270 461 HA LEU 59 HA LEU 59 5.983 -5.445 -7.034 462 HB2 LEU 59 HB2 LEU 59 5.097 -7.419 -5.780 463 HB3 LEU 59 HB3 LEU 59 5.940 -6.868 -4.342 464 HG LEU 59 HG LEU 59 4.518 -4.793 -4.344 465 HD11 LEU 59 HD11 LEU 59 3.985 -4.647 -6.728 466 HD12 LEU 59 HD12 LEU 59 2.518 -4.663 -5.756 467 HD13 LEU 59 HD13 LEU 59 3.012 -6.118 -6.625 468 HD21 LEU 59 HD21 LEU 59 3.891 -6.709 -2.956 469 HD22 LEU 59 HD22 LEU 59 2.952 -7.393 -4.285 470 HD23 LEU 59 HD23 LEU 59 2.464 -5.865 -3.550 471 H GLN 60 H GLN 60 8.306 -5.845 -4.365 472 HA GLN 60 HA GLN 60 7.892 -3.362 -3.060 473 HB2 GLN 60 HB2 GLN 60 8.922 -5.399 -2.027 474 HB3 GLN 60 HB3 GLN 60 10.356 -5.167 -3.012 475 HG2 GLN 60 HG2 GLN 60 9.639 -2.805 -1.370 476 HG3 GLN 60 HG3 GLN 60 10.009 -4.241 -0.422 477 HE21 GLN 60 HE21 GLN 60 11.890 -3.234 0.428 478 HE22 GLN 60 HE22 GLN 60 13.319 -3.027 -0.523 479 H MET 61 H MET 61 10.284 -4.408 -5.503 480 HA MET 61 HA MET 61 11.790 -2.030 -5.639 481 HB2 MET 61 HB2 MET 61 11.335 -4.217 -7.713 482 HB3 MET 61 HB3 MET 61 12.449 -2.879 -7.967 483 HG2 MET 61 HG2 MET 61 13.807 -3.599 -6.086 484 HG3 MET 61 HG3 MET 61 12.656 -4.890 -5.724 485 HE1 MET 61 HE1 MET 61 14.660 -6.669 -5.776 486 HE2 MET 61 HE2 MET 61 15.821 -5.403 -6.179 487 HE3 MET 61 HE3 MET 61 15.739 -6.870 -7.154 488 H ALA 62 H ALA 62 8.869 -3.090 -7.361 489 HA ALA 62 HA ALA 62 8.729 -0.897 -9.192 490 HB1 ALA 62 HB1 ALA 62 7.589 -3.023 -9.657 491 HB2 ALA 62 HB2 ALA 62 6.425 -1.696 -9.633 492 HB3 ALA 62 HB3 ALA 62 6.544 -2.792 -8.254 493 H LEU 63 H LEU 63 7.335 -1.561 -5.991 494 HA LEU 63 HA LEU 63 5.692 0.683 -5.646 495 HB2 LEU 63 HB2 LEU 63 7.260 -0.970 -3.615 496 HB3 LEU 63 HB3 LEU 63 6.113 0.274 -3.142 497 HG LEU 63 HG LEU 63 5.329 -2.138 -4.823 498 HD11 LEU 63 HD11 LEU 63 6.159 -2.938 -2.669 499 HD12 LEU 63 HD12 LEU 63 4.420 -3.171 -2.803 500 HD13 LEU 63 HD13 LEU 63 5.059 -1.851 -1.816 501 HD21 LEU 63 HD21 LEU 63 3.033 -1.564 -4.187 502 HD22 LEU 63 HD22 LEU 63 3.807 -0.226 -5.031 503 HD23 LEU 63 HD23 LEU 63 3.614 -0.167 -3.277 504 H GLN 64 H GLN 64 9.130 0.204 -4.827 505 HA GLN 64 HA GLN 64 9.814 2.677 -3.822 506 HB2 GLN 64 HB2 GLN 64 11.288 0.663 -3.840 507 HB3 GLN 64 HB3 GLN 64 11.531 0.857 -5.572 508 HG2 GLN 64 HG2 GLN 64 13.467 1.701 -4.353 509 HG3 GLN 64 HG3 GLN 64 12.643 3.027 -5.175 510 HE21 GLN 64 HE21 GLN 64 13.395 4.642 -3.835 511 HE22 GLN 64 HE22 GLN 64 12.972 4.781 -2.165 512 H VAL 65 H VAL 65 9.566 1.705 -7.277 513 HA VAL 65 HA VAL 65 10.744 3.997 -8.435 514 HB VAL 65 HB VAL 65 8.669 2.080 -9.608 515 HG11 VAL 65 HG11 VAL 65 9.417 2.840 -11.849 516 HG12 VAL 65 HG12 VAL 65 10.439 4.064 -11.090 517 HG13 VAL 65 HG13 VAL 65 8.685 4.154 -10.922 518 HG21 VAL 65 HG21 VAL 65 11.705 2.071 -9.875 519 HG22 VAL 65 HG22 VAL 65 10.600 0.960 -10.690 520 HG23 VAL 65 HG23 VAL 65 10.741 0.930 -8.933 521 H VAL 66 H VAL 66 7.521 3.408 -7.203 522 HA VAL 66 HA VAL 66 6.522 5.984 -8.276 523 HB VAL 66 HB VAL 66 4.230 5.061 -7.848 524 HG11 VAL 66 HG11 VAL 66 5.971 3.360 -9.682 525 HG12 VAL 66 HG12 VAL 66 5.217 4.902 -10.099 526 HG13 VAL 66 HG13 VAL 66 4.211 3.492 -9.766 527 HG21 VAL 66 HG21 VAL 66 5.689 2.458 -7.236 528 HG22 VAL 66 HG22 VAL 66 3.937 2.640 -7.391 529 HG23 VAL 66 HG23 VAL 66 4.796 3.435 -6.072 530 H ASN 67 H ASN 67 8.143 5.232 -5.720 531 HA ASN 67 HA ASN 67 8.550 6.276 -3.756 532 HB2 ASN 67 HB2 ASN 67 6.407 8.215 -4.725 533 HB3 ASN 67 HB3 ASN 67 7.380 8.489 -3.280 534 HD21 ASN 67 HD21 ASN 67 7.233 10.034 -5.796 535 HD22 ASN 67 HD22 ASN 67 8.856 10.122 -6.371 536 H ILE 68 H ILE 68 6.657 4.112 -3.839 537 HA ILE 68 HA ILE 68 5.057 4.563 -1.413 538 HB ILE 68 HB ILE 68 5.264 2.072 -3.175 539 HG12 ILE 68 HG12 ILE 68 4.188 3.949 -4.398 540 HG13 ILE 68 HG13 ILE 68 3.050 2.648 -4.080 541 HG21 ILE 68 HG21 ILE 68 3.270 1.270 -1.948 542 HG22 ILE 68 HG22 ILE 68 3.339 2.690 -0.901 543 HG23 ILE 68 HG23 ILE 68 4.650 1.510 -0.877 544 HD11 ILE 68 HD11 ILE 68 3.237 5.263 -2.599 545 HD12 ILE 68 HD12 ILE 68 2.103 3.959 -2.231 546 HD13 ILE 68 HD13 ILE 68 2.015 4.798 -3.780 547 H GLN 69 H GLN 69 6.495 4.583 0.245 548 HA GLN 69 HA GLN 69 8.838 3.019 0.545 549 HB2 GLN 69 HB2 GLN 69 7.867 5.215 1.832 550 HB3 GLN 69 HB3 GLN 69 7.353 4.013 2.994 551 HG2 GLN 69 HG2 GLN 69 10.199 4.572 2.110 552 HG3 GLN 69 HG3 GLN 69 9.472 5.005 3.653 553 HE21 GLN 69 HE21 GLN 69 9.118 3.349 5.206 554 HE22 GLN 69 HE22 GLN 69 9.931 1.829 5.103 555 H THR 70 H THR 70 9.151 1.007 1.530 556 HA THR 70 HA THR 70 6.758 -0.546 2.303 557 HB THR 70 HB THR 70 9.580 -1.474 1.608 558 HG1 THR 70 HG1 THR 70 8.313 -0.870 -0.201 559 HG21 THR 70 HG21 THR 70 8.592 -2.972 3.311 560 HG22 THR 70 HG22 THR 70 8.683 -3.774 1.743 561 HG23 THR 70 HG23 THR 70 7.138 -3.149 2.322 562 H ILE 71 H ILE 71 6.331 -0.217 4.374 563 HA ILE 71 HA ILE 71 8.246 0.419 6.428 564 HB ILE 71 HB ILE 71 5.328 -0.467 6.711 565 HG12 ILE 71 HG12 ILE 71 5.404 1.473 5.249 566 HG13 ILE 71 HG13 ILE 71 4.789 1.986 6.815 567 HG21 ILE 71 HG21 ILE 71 7.080 1.049 8.686 568 HG22 ILE 71 HG22 ILE 71 6.530 -0.621 8.842 569 HG23 ILE 71 HG23 ILE 71 5.361 0.698 8.892 570 HD11 ILE 71 HD11 ILE 71 7.052 2.856 7.350 571 HD12 ILE 71 HD12 ILE 71 6.282 3.640 5.971 572 HD13 ILE 71 HD13 ILE 71 7.551 2.446 5.707 573 H ALA 72 H ALA 72 6.039 -2.274 5.857 574 HA ALA 72 HA ALA 72 7.987 -4.245 6.855 575 HB1 ALA 72 HB1 ALA 72 6.158 -5.426 8.052 576 HB2 ALA 72 HB2 ALA 72 5.034 -4.129 7.633 577 HB3 ALA 72 HB3 ALA 72 6.400 -3.805 8.702 578 H MET 73 H MET 73 7.760 -6.265 5.821 579 HA MET 73 HA MET 73 5.554 -6.823 4.041 580 HB2 MET 73 HB2 MET 73 6.992 -5.497 2.536 581 HB3 MET 73 HB3 MET 73 8.375 -6.512 2.905 582 HG2 MET 73 HG2 MET 73 7.427 -8.376 1.729 583 HG3 MET 73 HG3 MET 73 5.863 -7.580 1.595 584 HE1 MET 73 HE1 MET 73 5.306 -5.651 -0.116 585 HE2 MET 73 HE2 MET 73 6.509 -4.863 -1.136 586 HE3 MET 73 HE3 MET 73 6.550 -4.627 0.610 587 H SER 74 H SER 74 5.192 -8.948 3.969 588 HA SER 74 HA SER 74 6.621 -10.672 5.728 589 HB2 SER 74 HB2 SER 74 4.106 -10.738 5.266 590 HB3 SER 74 HB3 SER 74 4.479 -11.501 3.723 591 HG SER 74 HG SER 74 5.414 -12.516 6.195 592 H ARG 75 H ARG 75 7.346 -12.855 5.022 593 HA ARG 75 HA ARG 75 9.420 -12.443 3.022 594 HB2 ARG 75 HB2 ARG 75 8.968 -14.448 5.251 595 HB3 ARG 75 HB3 ARG 75 10.113 -14.830 3.972 596 HG2 ARG 75 HG2 ARG 75 11.257 -13.886 5.929 597 HG3 ARG 75 HG3 ARG 75 11.450 -12.845 4.522 598 HD2 ARG 75 HD2 ARG 75 9.718 -11.321 5.408 599 HD3 ARG 75 HD3 ARG 75 9.502 -12.368 6.815 600 HE ARG 75 HE ARG 75 12.027 -11.857 7.140 601 HH11 ARG 75 HH11 ARG 75 9.632 -9.510 6.030 602 HH12 ARG 75 HH12 ARG 75 10.507 -8.154 6.672 603 HH21 ARG 75 HH21 ARG 75 13.146 -10.058 7.948 604 HH22 ARG 75 HH22 ARG 75 12.481 -8.466 7.748 605 H ALA 76 H ALA 76 9.935 -14.069 1.460 606 HA ALA 76 HA ALA 76 7.783 -14.848 -0.193 607 HB1 ALA 76 HB1 ALA 76 10.042 -14.297 -1.048 608 HB2 ALA 76 HB2 ALA 76 9.538 -15.902 -1.584 609 HB3 ALA 76 HB3 ALA 76 10.693 -15.735 -0.260 610 H GLY 77 H GLY 77 6.478 -16.584 0.005 611 HA2 GLY 77 HA2 GLY 77 6.030 -18.919 0.219 612 HA3 GLY 77 HA3 GLY 77 7.409 -19.091 1.289 613 H SER 78 H SER 78 6.194 -16.438 2.579 614 HA SER 78 HA SER 78 4.880 -17.785 4.743 615 HB2 SER 78 HB2 SER 78 5.046 -14.788 4.172 616 HB3 SER 78 HB3 SER 78 4.628 -15.531 5.719 617 HG SER 78 HG SER 78 7.012 -16.383 4.609 618 H ARG 79 H ARG 79 2.737 -18.114 5.079 619 HA ARG 79 HA ARG 79 0.717 -16.933 3.278 620 HB2 ARG 79 HB2 ARG 79 1.153 -19.900 3.843 621 HB3 ARG 79 HB3 ARG 79 -0.326 -19.267 3.129 622 HG2 ARG 79 HG2 ARG 79 0.935 -18.421 1.205 623 HG3 ARG 79 HG3 ARG 79 2.444 -18.986 1.923 624 HD2 ARG 79 HD2 ARG 79 1.614 -21.323 1.772 625 HD3 ARG 79 HD3 ARG 79 0.127 -20.728 1.026 626 HE ARG 79 HE ARG 79 1.429 -20.002 -0.884 627 HH11 ARG 79 HH11 ARG 79 3.106 -22.202 1.293 628 HH12 ARG 79 HH12 ARG 79 4.246 -22.698 0.082 629 HH21 ARG 79 HH21 ARG 79 2.936 -20.653 -2.435 630 HH22 ARG 79 HH22 ARG 79 4.147 -21.821 -2.019 631 HA PRO 80 HA PRO 80 -1.046 -15.884 3.401 632 HB2 PRO 80 HB2 PRO 80 -2.360 -13.818 4.540 633 HB3 PRO 80 HB3 PRO 80 -3.118 -15.420 4.422 634 HG2 PRO 80 HG2 PRO 80 -1.749 -14.157 6.781 635 HG3 PRO 80 HG3 PRO 80 -3.304 -15.021 6.713 636 HD2 PRO 80 HD2 PRO 80 -0.961 -16.227 7.510 637 HD3 PRO 80 HD3 PRO 80 -2.303 -17.108 6.747 638 H TRP 81 H TRP 81 0.036 -14.241 2.406 639 HA TRP 81 HA TRP 81 2.373 -13.066 3.692 640 HB2 TRP 81 HB2 TRP 81 2.546 -13.941 1.392 641 HB3 TRP 81 HB3 TRP 81 1.250 -12.884 0.848 642 HD1 TRP 81 HD1 TRP 81 4.997 -12.842 1.686 643 HE1 TRP 81 HE1 TRP 81 6.006 -10.620 0.880 644 HE3 TRP 81 HE3 TRP 81 0.698 -10.415 0.323 645 HZ2 TRP 81 HZ2 TRP 81 5.118 -8.186 -0.222 646 HZ3 TRP 81 HZ3 TRP 81 0.873 -8.157 -0.623 647 HH2 TRP 81 HH2 TRP 81 3.036 -7.059 -0.886 648 H LYS 82 H LYS 82 2.251 -11.054 4.744 649 HA LYS 82 HA LYS 82 0.305 -9.062 3.724 650 HB2 LYS 82 HB2 LYS 82 -0.480 -9.884 5.880 651 HB3 LYS 82 HB3 LYS 82 1.086 -9.586 6.630 652 HG2 LYS 82 HG2 LYS 82 0.798 -7.218 6.527 653 HG3 LYS 82 HG3 LYS 82 -0.561 -7.346 5.413 654 HD2 LYS 82 HD2 LYS 82 -0.618 -8.307 8.296 655 HD3 LYS 82 HD3 LYS 82 -1.194 -6.730 7.757 656 HE2 LYS 82 HE2 LYS 82 -2.778 -7.971 6.195 657 HE3 LYS 82 HE3 LYS 82 -2.323 -9.448 7.047 658 HZ1 LYS 82 HZ1 LYS 82 -4.327 -8.553 7.973 659 HZ2 LYS 82 HZ2 LYS 82 -3.613 -7.046 8.228 660 HZ3 LYS 82 HZ3 LYS 82 -3.098 -8.385 9.119 661 H ALA 83 H ALA 83 0.914 -6.871 3.738 662 HA ALA 83 HA ALA 83 3.702 -6.161 4.308 663 HB1 ALA 83 HB1 ALA 83 2.379 -5.651 1.610 664 HB2 ALA 83 HB2 ALA 83 3.702 -6.779 1.915 665 HB3 ALA 83 HB3 ALA 83 3.959 -5.046 2.121 666 H TYR 84 H TYR 84 3.853 -4.128 5.054 667 HA TYR 84 HA TYR 84 1.509 -2.330 5.020 668 HB2 TYR 84 HB2 TYR 84 3.779 -2.631 7.038 669 HB3 TYR 84 HB3 TYR 84 2.612 -1.308 7.071 670 HD1 TYR 84 HD1 TYR 84 0.044 -2.227 6.818 671 HD2 TYR 84 HD2 TYR 84 3.282 -4.390 8.563 672 HE1 TYR 84 HE1 TYR 84 -1.551 -3.540 8.128 673 HE2 TYR 84 HE2 TYR 84 1.673 -5.710 9.883 674 HH TYR 84 HH TYR 84 -1.728 -5.585 9.292 675 H LEU 85 H LEU 85 1.721 -0.631 3.756 676 HA LEU 85 HA LEU 85 4.377 0.325 2.856 677 HB2 LEU 85 HB2 LEU 85 1.745 0.349 1.311 678 HB3 LEU 85 HB3 LEU 85 3.326 0.796 0.698 679 HG LEU 85 HG LEU 85 2.488 -2.018 1.490 680 HD11 LEU 85 HD11 LEU 85 2.508 -2.506 -0.925 681 HD12 LEU 85 HD12 LEU 85 2.814 -0.802 -1.274 682 HD13 LEU 85 HD13 LEU 85 1.301 -1.292 -0.505 683 HD21 LEU 85 HD21 LEU 85 5.064 -1.051 0.202 684 HD22 LEU 85 HD22 LEU 85 4.602 -2.741 0.434 685 HD23 LEU 85 HD23 LEU 85 4.882 -1.706 1.832 686 H SER 86 H SER 86 4.583 2.598 2.581 687 HA SER 86 HA SER 86 2.315 4.314 3.343 688 HB2 SER 86 HB2 SER 86 5.108 4.530 4.558 689 HB3 SER 86 HB3 SER 86 3.831 5.737 4.744 690 HG SER 86 HG SER 86 2.705 3.511 5.414 691 H ALA 87 H ALA 87 2.339 6.339 2.487 692 HA ALA 87 HA ALA 87 4.580 7.298 0.873 693 HB1 ALA 87 HB1 ALA 87 3.129 6.123 -0.739 694 HB2 ALA 87 HB2 ALA 87 3.072 7.865 -1.007 695 HB3 ALA 87 HB3 ALA 87 1.732 7.055 -0.191 696 H GLN 88 H GLN 88 4.371 9.608 0.481 697 HA GLN 88 HA GLN 88 2.265 11.098 1.889 698 HB2 GLN 88 HB2 GLN 88 4.449 10.706 3.363 699 HB3 GLN 88 HB3 GLN 88 5.180 11.889 2.300 700 HG2 GLN 88 HG2 GLN 88 2.822 12.333 4.147 701 HG3 GLN 88 HG3 GLN 88 4.464 12.935 4.363 702 HE21 GLN 88 HE21 GLN 88 5.223 14.555 2.876 703 HE22 GLN 88 HE22 GLN 88 4.097 15.592 2.083 704 H ASP 89 H ASP 89 1.603 12.697 0.504 705 HA ASP 89 HA ASP 89 3.219 13.100 -1.935 706 HB2 ASP 89 HB2 ASP 89 1.260 13.341 -3.141 707 HB3 ASP 89 HB3 ASP 89 0.683 12.276 -1.876 708 H ASP 90 H ASP 90 2.635 15.355 -2.991 709 HA ASP 90 HA ASP 90 4.194 17.218 -1.629 710 HB2 ASP 90 HB2 ASP 90 3.954 17.131 -4.088 711 HB3 ASP 90 HB3 ASP 90 2.278 17.650 -3.967 712 H THR 91 H THR 91 0.705 16.748 -1.551 713 HA THR 91 HA THR 91 0.140 19.474 -0.669 714 HB THR 91 HB THR 91 -2.190 18.951 -0.904 715 HG1 THR 91 HG1 THR 91 -1.404 16.213 -1.090 716 HG21 THR 91 HG21 THR 91 -1.001 19.215 -3.073 717 HG22 THR 91 HG22 THR 91 -2.355 18.092 -3.213 718 HG23 THR 91 HG23 THR 91 -0.708 17.471 -3.109 719 H GLY 92 H GLY 92 0.992 16.552 0.859 720 HA2 GLY 92 HA2 GLY 92 1.558 16.582 3.167 721 HA3 GLY 92 HA3 GLY 92 0.281 17.741 3.478 722 H CYS 93 H CYS 93 -0.812 15.142 1.520 723 HA CYS 93 HA CYS 93 -2.289 13.972 3.757 724 HB2 CYS 93 HB2 CYS 93 -2.311 13.221 0.798 725 HB3 CYS 93 HB3 CYS 93 -3.427 12.624 2.026 726 HG CYS 93 HG CYS 93 -3.262 15.701 0.621 727 H LEU 94 H LEU 94 -1.686 12.169 4.813 728 HA LEU 94 HA LEU 94 0.667 10.626 3.951 729 HB2 LEU 94 HB2 LEU 94 0.215 11.586 6.373 730 HB3 LEU 94 HB3 LEU 94 -0.856 10.218 6.555 731 HG LEU 94 HG LEU 94 1.354 9.816 7.603 732 HD11 LEU 94 HD11 LEU 94 0.131 7.861 6.799 733 HD12 LEU 94 HD12 LEU 94 1.871 7.621 6.702 734 HD13 LEU 94 HD13 LEU 94 0.947 7.969 5.238 735 HD21 LEU 94 HD21 LEU 94 2.743 11.199 6.119 736 HD22 LEU 94 HD22 LEU 94 2.545 10.022 4.819 737 HD23 LEU 94 HD23 LEU 94 3.403 9.573 6.297 738 H PHE 95 H PHE 95 0.447 8.609 3.107 739 HA PHE 95 HA PHE 95 -2.213 7.318 2.947 740 HB2 PHE 95 HB2 PHE 95 0.121 7.228 0.969 741 HB3 PHE 95 HB3 PHE 95 -1.403 6.361 0.783 742 HD1 PHE 95 HD2 PHE 95 0.200 9.700 0.704 743 HD2 PHE 95 HD1 PHE 95 -3.440 7.527 0.130 744 HE1 PHE 95 HE2 PHE 95 -0.820 11.672 -0.360 745 HE2 PHE 95 HE1 PHE 95 -4.445 9.505 -0.929 746 HZ PHE 95 HZ PHE 95 -3.142 11.572 -1.170 747 H LEU 96 H LEU 96 -2.372 5.382 3.801 748 HA LEU 96 HA LEU 96 -0.010 3.686 4.362 749 HB2 LEU 96 HB2 LEU 96 -2.626 3.909 5.925 750 HB3 LEU 96 HB3 LEU 96 -1.290 2.838 6.319 751 HG LEU 96 HG LEU 96 -1.149 5.875 6.408 752 HD11 LEU 96 HD11 LEU 96 -1.207 5.675 8.832 753 HD12 LEU 96 HD12 LEU 96 -1.416 3.926 8.712 754 HD13 LEU 96 HD13 LEU 96 -2.675 5.012 8.118 755 HD21 LEU 96 HD21 LEU 96 0.968 5.571 7.590 756 HD22 LEU 96 HD22 LEU 96 1.032 4.864 5.978 757 HD23 LEU 96 HD23 LEU 96 0.844 3.821 7.388 758 H THR 97 H THR 97 -0.119 1.705 3.420 759 HA THR 97 HA THR 97 -2.708 0.624 2.470 760 HB THR 97 HB THR 97 -0.004 0.223 1.086 761 HG1 THR 97 HG1 THR 97 -1.885 2.246 0.892 762 HG21 THR 97 HG21 THR 97 -1.638 -1.592 0.630 763 HG22 THR 97 HG22 THR 97 -1.364 -0.608 -0.809 764 HG23 THR 97 HG23 THR 97 -2.836 -0.389 0.138 765 H GLU 98 H GLU 98 -3.069 -1.516 2.846 766 HA GLU 98 HA GLU 98 -0.941 -3.219 4.010 767 HB2 GLU 98 HB2 GLU 98 -2.595 -2.707 5.753 768 HB3 GLU 98 HB3 GLU 98 -3.919 -3.153 4.681 769 HG2 GLU 98 HG2 GLU 98 -3.056 -5.510 4.671 770 HG3 GLU 98 HG3 GLU 98 -1.823 -5.021 5.835 771 H LEU 99 H LEU 99 -0.469 -4.763 2.565 772 HA LEU 99 HA LEU 99 -2.507 -5.769 0.680 773 HB2 LEU 99 HB2 LEU 99 0.511 -6.221 0.720 774 HB3 LEU 99 HB3 LEU 99 -0.593 -6.751 -0.539 775 HG LEU 99 HG LEU 99 0.136 -3.866 0.111 776 HD11 LEU 99 HD11 LEU 99 1.226 -3.869 -2.085 777 HD12 LEU 99 HD12 LEU 99 0.819 -5.574 -2.300 778 HD13 LEU 99 HD13 LEU 99 1.928 -5.085 -1.018 779 HD21 LEU 99 HD21 LEU 99 -1.188 -3.232 -1.866 780 HD22 LEU 99 HD22 LEU 99 -2.194 -3.965 -0.620 781 HD23 LEU 99 HD23 LEU 99 -1.737 -4.903 -2.044 782 H LEU 100 H LEU 100 -3.206 -7.872 0.882 783 HA LEU 100 HA LEU 100 -1.776 -9.757 2.662 784 HB2 LEU 100 HB2 LEU 100 -3.787 -8.661 3.814 785 HB3 LEU 100 HB3 LEU 100 -4.815 -9.417 2.622 786 HG LEU 100 HG LEU 100 -4.722 -10.550 4.910 787 HD11 LEU 100 HD11 LEU 100 -5.584 -11.774 2.960 788 HD12 LEU 100 HD12 LEU 100 -4.762 -12.840 4.093 789 HD13 LEU 100 HD13 LEU 100 -3.958 -12.359 2.596 790 HD21 LEU 100 HD21 LEU 100 -1.959 -11.438 4.023 791 HD22 LEU 100 HD22 LEU 100 -2.814 -11.974 5.473 792 HD23 LEU 100 HD23 LEU 100 -2.307 -10.295 5.318 793 H LEU 101 H LEU 101 -1.530 -11.731 1.661 794 HA LEU 101 HA LEU 101 -3.116 -12.382 -0.747 795 HB2 LEU 101 HB2 LEU 101 -0.720 -11.911 -1.228 796 HB3 LEU 101 HB3 LEU 101 -0.239 -13.095 -0.026 797 HG LEU 101 HG LEU 101 -1.463 -14.847 -1.485 798 HD11 LEU 101 HD11 LEU 101 -1.701 -14.346 -3.864 799 HD12 LEU 101 HD12 LEU 101 -1.296 -12.655 -3.563 800 HD13 LEU 101 HD13 LEU 101 -2.769 -13.349 -2.878 801 HD21 LEU 101 HD21 LEU 101 0.967 -14.729 -1.290 802 HD22 LEU 101 HD22 LEU 101 1.033 -13.539 -2.593 803 HD23 LEU 101 HD23 LEU 101 0.478 -15.183 -2.922 804 H GLU 102 H GLU 102 -4.399 -14.072 -0.417 805 HA GLU 102 HA GLU 102 -4.680 -15.467 1.984 806 HB2 GLU 102 HB2 GLU 102 -5.778 -15.942 -0.803 807 HB3 GLU 102 HB3 GLU 102 -6.285 -16.919 0.566 808 HG2 GLU 102 HG2 GLU 102 -6.597 -13.900 0.428 809 HG3 GLU 102 HG3 GLU 102 -7.846 -15.050 -0.047 810 HA PRO 103 HA PRO 103 -1.701 -18.692 2.009 811 HB2 PRO 103 HB2 PRO 103 -3.789 -20.551 3.127 812 HB3 PRO 103 HB3 PRO 103 -2.234 -20.040 3.823 813 HG2 PRO 103 HG2 PRO 103 -4.499 -19.064 4.796 814 HG3 PRO 103 HG3 PRO 103 -3.087 -17.999 4.585 815 HD2 PRO 103 HD2 PRO 103 -5.519 -18.276 2.807 816 HD3 PRO 103 HD3 PRO 103 -4.704 -16.798 3.382 817 H GLY 104 H GLY 104 -4.739 -20.472 1.275 818 HA2 GLY 104 HA2 GLY 104 -3.395 -22.279 -0.556 819 HA3 GLY 104 HA3 GLY 104 -5.103 -22.273 -0.138 820 H ASN 105 H ASN 105 -6.289 -20.218 -0.936 821 HA ASN 105 HA ASN 105 -6.158 -20.125 -3.801 822 HB2 ASN 105 HB2 ASN 105 -7.766 -18.333 -1.912 823 HB3 ASN 105 HB3 ASN 105 -8.046 -18.528 -3.641 824 HD21 ASN 105 HD21 ASN 105 -9.913 -18.935 -1.492 825 HD22 ASN 105 HD22 ASN 105 -10.427 -20.585 -1.582 826 H SER 106 H SER 106 -4.420 -19.051 -4.704 827 HA SER 106 HA SER 106 -3.104 -16.803 -3.613 828 HB2 SER 106 HB2 SER 106 -2.175 -16.582 -6.006 829 HB3 SER 106 HB3 SER 106 -1.895 -18.123 -5.202 830 HG SER 106 HG SER 106 -4.049 -17.637 -6.989 831 H GLU 107 H GLU 107 -4.655 -15.253 -3.037 832 HA GLU 107 HA GLU 107 -5.377 -13.423 -5.196 833 HB2 GLU 107 HB2 GLU 107 -7.356 -14.937 -4.980 834 HB3 GLU 107 HB3 GLU 107 -7.509 -14.502 -3.279 835 HG2 GLU 107 HG2 GLU 107 -8.089 -12.238 -3.823 836 HG3 GLU 107 HG3 GLU 107 -7.665 -12.463 -5.519 837 H MET 108 H MET 108 -5.669 -11.253 -4.417 838 HA MET 108 HA MET 108 -4.383 -10.827 -1.792 839 HB2 MET 108 HB2 MET 108 -2.846 -10.359 -3.701 840 HB3 MET 108 HB3 MET 108 -4.008 -9.215 -4.363 841 HG2 MET 108 HG2 MET 108 -3.744 -7.793 -2.364 842 HG3 MET 108 HG3 MET 108 -2.582 -8.938 -1.697 843 HE1 MET 108 HE1 MET 108 -0.928 -9.755 -4.339 844 HE2 MET 108 HE2 MET 108 -0.190 -9.401 -2.774 845 HE3 MET 108 HE3 MET 108 0.395 -8.596 -4.228 846 H GLN 109 H GLN 109 -5.383 -9.417 -0.451 847 HA GLN 109 HA GLN 109 -7.581 -7.695 -1.375 848 HB2 GLN 109 HB2 GLN 109 -6.701 -8.443 1.462 849 HB3 GLN 109 HB3 GLN 109 -8.053 -7.401 1.064 850 HG2 GLN 109 HG2 GLN 109 -9.197 -9.335 1.463 851 HG3 GLN 109 HG3 GLN 109 -8.897 -9.542 -0.257 852 HE21 GLN 109 HE21 GLN 109 -9.390 -11.514 1.873 853 HE22 GLN 109 HE22 GLN 109 -8.051 -12.599 1.841 854 H ILE 110 H ILE 110 -7.123 -5.603 -1.618 855 HA ILE 110 HA ILE 110 -4.590 -4.447 -0.582 856 HB ILE 110 HB ILE 110 -6.290 -3.521 -2.973 857 HG12 ILE 110 HG12 ILE 110 -4.078 -4.020 -4.275 858 HG13 ILE 110 HG13 ILE 110 -3.595 -4.944 -2.865 859 HG21 ILE 110 HG21 ILE 110 -4.516 -1.820 -3.373 860 HG22 ILE 110 HG22 ILE 110 -3.705 -2.322 -1.890 861 HG23 ILE 110 HG23 ILE 110 -5.307 -1.587 -1.811 862 HD11 ILE 110 HD11 ILE 110 -4.467 -6.360 -4.648 863 HD12 ILE 110 HD12 ILE 110 -6.015 -5.514 -4.586 864 HD13 ILE 110 HD13 ILE 110 -5.469 -6.463 -3.201 865 H SER 111 H SER 111 -4.980 -3.214 1.185 866 HA SER 111 HA SER 111 -7.603 -1.903 1.561 867 HB2 SER 111 HB2 SER 111 -6.939 -3.542 3.340 868 HB3 SER 111 HB3 SER 111 -5.480 -2.602 3.658 869 HG SER 111 HG SER 111 -7.235 -2.126 5.091 870 H VAL 112 H VAL 112 -7.495 0.115 0.881 871 HA VAL 112 HA VAL 112 -5.031 1.727 1.049 872 HB VAL 112 HB VAL 112 -7.643 2.277 -0.471 873 HG11 VAL 112 HG11 VAL 112 -4.992 3.770 -0.552 874 HG12 VAL 112 HG12 VAL 112 -6.507 4.362 0.136 875 HG13 VAL 112 HG13 VAL 112 -6.378 4.086 -1.601 876 HG21 VAL 112 HG21 VAL 112 -4.976 1.287 -1.549 877 HG22 VAL 112 HG22 VAL 112 -6.373 1.737 -2.530 878 HG23 VAL 112 HG23 VAL 112 -6.470 0.351 -1.440 879 H LYS 113 H LYS 113 -4.910 3.038 2.770 880 HA LYS 113 HA LYS 113 -7.298 4.343 3.910 881 HB2 LYS 113 HB2 LYS 113 -6.533 2.444 5.324 882 HB3 LYS 113 HB3 LYS 113 -4.898 3.087 5.340 883 HG2 LYS 113 HG2 LYS 113 -5.586 4.970 6.680 884 HG3 LYS 113 HG3 LYS 113 -7.285 4.517 6.542 885 HD2 LYS 113 HD2 LYS 113 -5.132 2.857 7.914 886 HD3 LYS 113 HD3 LYS 113 -6.297 3.884 8.744 887 HE2 LYS 113 HE2 LYS 113 -8.141 2.477 7.816 888 HE3 LYS 113 HE3 LYS 113 -6.932 1.420 7.084 889 HZ1 LYS 113 HZ1 LYS 113 -6.111 0.893 9.304 890 HZ2 LYS 113 HZ2 LYS 113 -7.753 0.531 9.173 891 HZ3 LYS 113 HZ3 LYS 113 -7.262 1.917 10.001 892 H GLN 114 H GLN 114 -6.867 6.519 4.572 893 HA GLN 114 HA GLN 114 -4.232 7.697 4.184 894 HB2 GLN 114 HB2 GLN 114 -5.143 9.335 2.430 895 HB3 GLN 114 HB3 GLN 114 -4.859 7.689 1.886 896 HG2 GLN 114 HG2 GLN 114 -7.360 7.272 2.279 897 HG3 GLN 114 HG3 GLN 114 -7.513 9.022 2.453 898 HE21 GLN 114 HE21 GLN 114 -8.904 8.991 0.606 899 HE22 GLN 114 HE22 GLN 114 -8.266 8.895 -0.986 900 H ASN 115 H ASN 115 -4.170 9.973 4.671 901 HA ASN 115 HA ASN 115 -5.545 10.618 7.075 902 HB2 ASN 115 HB2 ASN 115 -3.198 11.319 6.646 903 HB3 ASN 115 HB3 ASN 115 -3.736 12.356 5.328 904 HD21 ASN 115 HD21 ASN 115 -3.538 11.998 8.787 905 HD22 ASN 115 HD22 ASN 115 -4.037 13.606 9.176 906 H GLU 116 H GLU 116 -5.357 12.568 4.070 907 HA GLU 116 HA GLU 116 -8.142 13.463 4.446 908 HB2 GLU 116 HB2 GLU 116 -5.985 14.532 2.565 909 HB3 GLU 116 HB3 GLU 116 -7.595 15.214 2.786 910 HG2 GLU 116 HG2 GLU 116 -6.964 15.580 5.226 911 HG3 GLU 116 HG3 GLU 116 -5.317 15.151 4.765 912 H ALA 117 H ALA 117 -9.520 12.054 3.483 913 HA ALA 117 HA ALA 117 -8.864 10.676 1.017 914 HB1 ALA 117 HB1 ALA 117 -11.169 9.752 1.200 915 HB2 ALA 117 HB2 ALA 117 -11.481 10.818 2.572 916 HB3 ALA 117 HB3 ALA 117 -10.267 9.546 2.705 917 H ARG 118 H ARG 118 -8.773 11.904 -0.738 918 HA ARG 118 HA ARG 118 -11.027 13.692 -1.454 919 HB2 ARG 118 HB2 ARG 118 -8.258 13.542 -2.755 920 HB3 ARG 118 HB3 ARG 118 -9.526 14.712 -3.122 921 HG2 ARG 118 HG2 ARG 118 -9.285 15.704 -0.914 922 HG3 ARG 118 HG3 ARG 118 -8.098 14.480 -0.467 923 HD2 ARG 118 HD2 ARG 118 -6.703 15.364 -2.444 924 HD3 ARG 118 HD3 ARG 118 -7.817 16.738 -2.455 925 HE ARG 118 HE ARG 118 -7.091 16.835 0.073 926 HH11 ARG 118 HH11 ARG 118 -5.023 16.206 -2.707 927 HH12 ARG 118 HH12 ARG 118 -3.599 16.853 -1.961 928 HH21 ARG 118 HH21 ARG 118 -5.196 17.686 1.063 929 HH22 ARG 118 HH22 ARG 118 -3.706 17.693 0.175 930 H THR 119 H THR 119 -11.942 13.328 -3.557 931 HA THR 119 HA THR 119 -12.022 10.699 -4.593 932 HB THR 119 HB THR 119 -12.724 13.278 -6.096 933 HG1 THR 119 HG1 THR 119 -14.827 12.960 -5.150 934 HG21 THR 119 HG21 THR 119 -12.769 11.220 -7.500 935 HG22 THR 119 HG22 THR 119 -14.387 11.882 -7.266 936 HG23 THR 119 HG23 THR 119 -13.874 10.466 -6.347 937 H GLU 120 H GLU 120 -10.040 13.517 -5.247 938 HA GLU 120 HA GLU 120 -8.808 12.690 -7.681 939 HB2 GLU 120 HB2 GLU 120 -8.962 15.064 -6.863 940 HB3 GLU 120 HB3 GLU 120 -7.819 14.684 -5.577 941 HG2 GLU 120 HG2 GLU 120 -6.683 15.848 -7.380 942 HG3 GLU 120 HG3 GLU 120 -6.094 14.191 -7.287 943 H THR 121 H THR 121 -7.566 12.805 -4.272 944 HA THR 121 HA THR 121 -5.090 11.558 -4.895 945 HB THR 121 HB THR 121 -4.829 11.257 -2.389 946 HG1 THR 121 HG1 THR 121 -6.431 11.842 -1.037 947 HG21 THR 121 HG21 THR 121 -4.055 13.335 -3.491 948 HG22 THR 121 HG22 THR 121 -4.679 13.675 -1.874 949 HG23 THR 121 HG23 THR 121 -5.662 14.042 -3.293 950 H LEU 122 H LEU 122 -8.150 10.254 -3.531 951 HA LEU 122 HA LEU 122 -7.227 7.673 -2.996 952 HB2 LEU 122 HB2 LEU 122 -9.418 8.621 -2.187 953 HB3 LEU 122 HB3 LEU 122 -10.072 8.400 -3.803 954 HG LEU 122 HG LEU 122 -9.814 5.954 -3.613 955 HD11 LEU 122 HD11 LEU 122 -8.687 6.460 -0.846 956 HD12 LEU 122 HD12 LEU 122 -7.821 5.808 -2.239 957 HD13 LEU 122 HD13 LEU 122 -9.126 4.884 -1.508 958 HD21 LEU 122 HD21 LEU 122 -11.922 6.937 -2.835 959 HD22 LEU 122 HD22 LEU 122 -11.263 7.104 -1.206 960 HD23 LEU 122 HD23 LEU 122 -11.509 5.498 -1.901 961 H ASN 123 H ASN 123 -8.972 8.863 -5.938 962 HA ASN 123 HA ASN 123 -9.033 6.324 -7.227 963 HB2 ASN 123 HB2 ASN 123 -9.374 9.151 -8.318 964 HB3 ASN 123 HB3 ASN 123 -9.438 7.744 -9.381 965 HD21 ASN 123 HD21 ASN 123 -11.519 9.704 -8.660 966 HD22 ASN 123 HD22 ASN 123 -12.845 8.775 -8.064 967 H SER 124 H SER 124 -6.727 9.008 -7.345 968 HA SER 124 HA SER 124 -5.090 7.946 -9.423 969 HB2 SER 124 HB2 SER 124 -4.408 9.974 -7.257 970 HB3 SER 124 HB3 SER 124 -3.428 9.644 -8.690 971 HG SER 124 HG SER 124 -5.456 11.310 -8.484 972 H PHE 125 H PHE 125 -5.022 7.591 -5.890 973 HA PHE 125 HA PHE 125 -2.443 6.376 -5.715 974 HB2 PHE 125 HB2 PHE 125 -3.648 7.526 -3.801 975 HB3 PHE 125 HB3 PHE 125 -4.727 6.140 -3.696 976 HD1 PHE 125 HD2 PHE 125 -1.127 7.133 -3.488 977 HD2 PHE 125 HD1 PHE 125 -4.080 4.246 -2.386 978 HE1 PHE 125 HE2 PHE 125 0.487 6.047 -1.985 979 HE2 PHE 125 HE1 PHE 125 -2.461 3.168 -0.884 980 HZ PHE 125 HZ PHE 125 -0.179 4.069 -0.676 981 H ILE 126 H ILE 126 -5.745 5.152 -5.924 982 HA ILE 126 HA ILE 126 -5.244 2.369 -5.743 983 HB ILE 126 HB ILE 126 -7.490 3.779 -7.282 984 HG12 ILE 126 HG12 ILE 126 -7.668 2.712 -4.428 985 HG13 ILE 126 HG13 ILE 126 -7.252 4.383 -4.779 986 HG21 ILE 126 HG21 ILE 126 -7.371 0.951 -6.167 987 HG22 ILE 126 HG22 ILE 126 -7.270 1.392 -7.872 988 HG23 ILE 126 HG23 ILE 126 -8.760 1.682 -6.974 989 HD11 ILE 126 HD11 ILE 126 -9.810 3.011 -5.576 990 HD12 ILE 126 HD12 ILE 126 -9.384 4.695 -5.901 991 HD13 ILE 126 HD13 ILE 126 -9.596 4.144 -4.240 992 H SER 127 H SER 127 -5.394 4.666 -8.480 993 HA SER 127 HA SER 127 -5.050 2.911 -10.631 994 HB2 SER 127 HB2 SER 127 -4.140 5.811 -10.351 995 HB3 SER 127 HB3 SER 127 -4.163 4.917 -11.874 996 HG SER 127 HG SER 127 -6.493 4.983 -10.335 997 H VAL 128 H VAL 128 -2.609 4.593 -8.637 998 HA VAL 128 HA VAL 128 -0.286 3.731 -9.941 999 HB VAL 128 HB VAL 128 -0.707 4.473 -6.998 1000 HG11 VAL 128 HG11 VAL 128 1.750 4.805 -6.854 1001 HG12 VAL 128 HG12 VAL 128 1.934 4.143 -8.479 1002 HG13 VAL 128 HG13 VAL 128 1.338 3.118 -7.174 1003 HG21 VAL 128 HG21 VAL 128 -1.198 6.292 -8.596 1004 HG22 VAL 128 HG22 VAL 128 0.401 6.109 -9.315 1005 HG23 VAL 128 HG23 VAL 128 0.241 6.665 -7.646 1006 H LEU 129 H LEU 129 -1.834 2.369 -6.989 1007 HA LEU 129 HA LEU 129 -0.248 0.127 -6.643 1008 HB2 LEU 129 HB2 LEU 129 -3.205 0.423 -5.979 1009 HB3 LEU 129 HB3 LEU 129 -2.159 -0.844 -5.351 1010 HG LEU 129 HG LEU 129 -1.876 2.133 -4.786 1011 HD11 LEU 129 HD11 LEU 129 -3.791 1.138 -3.664 1012 HD12 LEU 129 HD12 LEU 129 -2.537 1.544 -2.497 1013 HD13 LEU 129 HD13 LEU 129 -2.772 -0.136 -2.990 1014 HD21 LEU 129 HD21 LEU 129 -0.115 1.499 -3.165 1015 HD22 LEU 129 HD22 LEU 129 0.344 1.103 -4.817 1016 HD23 LEU 129 HD23 LEU 129 -0.196 -0.175 -3.726 1017 H GLU 130 H GLU 130 -3.199 0.410 -8.620 1018 HA GLU 130 HA GLU 130 -3.449 -2.299 -9.395 1019 HB2 GLU 130 HB2 GLU 130 -4.415 0.259 -10.737 1020 HB3 GLU 130 HB3 GLU 130 -4.808 -1.344 -11.352 1021 HG2 GLU 130 HG2 GLU 130 -6.005 -1.888 -9.291 1022 HG3 GLU 130 HG3 GLU 130 -5.559 -0.328 -8.594 1023 H THR 131 H THR 131 -1.682 0.429 -10.842 1024 HA THR 131 HA THR 131 -0.842 -0.931 -13.196 1025 HB THR 131 HB THR 131 0.435 1.492 -11.838 1026 HG1 THR 131 HG1 THR 131 -1.345 2.432 -12.473 1027 HG21 THR 131 HG21 THR 131 0.629 0.577 -14.742 1028 HG22 THR 131 HG22 THR 131 1.935 0.485 -13.555 1029 HG23 THR 131 HG23 THR 131 1.317 2.054 -14.071 1030 H VAL 132 H VAL 132 0.629 -0.488 -9.981 1031 HA VAL 132 HA VAL 132 3.211 -1.561 -10.564 1032 HB VAL 132 HB VAL 132 1.741 -1.106 -7.914 1033 HG11 VAL 132 HG11 VAL 132 4.660 -1.874 -8.301 1034 HG12 VAL 132 HG12 VAL 132 3.415 -2.876 -7.554 1035 HG13 VAL 132 HG13 VAL 132 3.927 -1.377 -6.778 1036 HG21 VAL 132 HG21 VAL 132 2.279 0.922 -9.238 1037 HG22 VAL 132 HG22 VAL 132 3.979 0.453 -9.271 1038 HG23 VAL 132 HG23 VAL 132 3.209 0.871 -7.738 1039 H ILE 133 H ILE 133 0.372 -2.940 -8.914 1040 HA ILE 133 HA ILE 133 1.340 -5.612 -8.640 1041 HB ILE 133 HB ILE 133 -1.518 -4.499 -8.623 1042 HG12 ILE 133 HG12 ILE 133 0.322 -5.283 -6.305 1043 HG13 ILE 133 HG13 ILE 133 -0.055 -3.635 -6.797 1044 HG21 ILE 133 HG21 ILE 133 -1.607 -6.895 -9.188 1045 HG22 ILE 133 HG22 ILE 133 -2.255 -6.608 -7.573 1046 HG23 ILE 133 HG23 ILE 133 -0.634 -7.279 -7.764 1047 HD11 ILE 133 HD11 ILE 133 -1.987 -5.647 -5.673 1048 HD12 ILE 133 HD12 ILE 133 -2.406 -4.026 -6.228 1049 HD13 ILE 133 HD13 ILE 133 -1.323 -4.233 -4.852 1050 H GLY 134 H GLY 134 -0.458 -3.820 -11.074 1051 HA2 GLY 134 HA2 GLY 134 -1.252 -5.792 -12.861 1052 HA3 GLY 134 HA3 GLY 134 -0.921 -4.118 -13.261 1053 H THR 135 H THR 135 1.851 -4.055 -12.613 1054 HA THR 135 HA THR 135 2.996 -4.803 -15.067 1055 HB THR 135 HB THR 135 4.553 -4.324 -12.486 1056 HG1 THR 135 HG1 THR 135 2.873 -2.686 -13.776 1057 HG21 THR 135 HG21 THR 135 5.285 -3.738 -15.387 1058 HG22 THR 135 HG22 THR 135 5.928 -5.077 -14.430 1059 HG23 THR 135 HG23 THR 135 6.287 -3.408 -13.977 1060 H ILE 136 H ILE 136 2.452 -6.640 -12.225 1061 HA ILE 136 HA ILE 136 4.266 -8.837 -12.971 1062 HB ILE 136 HB ILE 136 2.700 -8.520 -10.370 1063 HG12 ILE 136 HG12 ILE 136 5.592 -7.654 -10.895 1064 HG13 ILE 136 HG13 ILE 136 4.230 -6.564 -10.647 1065 HG21 ILE 136 HG21 ILE 136 5.138 -10.215 -11.040 1066 HG22 ILE 136 HG22 ILE 136 3.485 -10.809 -10.877 1067 HG23 ILE 136 HG23 ILE 136 4.324 -10.148 -9.474 1068 HD11 ILE 136 HD11 ILE 136 3.954 -7.434 -8.377 1069 HD12 ILE 136 HD12 ILE 136 5.554 -6.743 -8.646 1070 HD13 ILE 136 HD13 ILE 136 5.346 -8.493 -8.622 1071 H GLU 137 H GLU 137 0.868 -7.968 -12.477 1072 HA GLU 137 HA GLU 137 -0.083 -10.554 -13.485 1073 HB2 GLU 137 HB2 GLU 137 0.152 -10.907 -11.095 1074 HB3 GLU 137 HB3 GLU 137 -0.644 -9.381 -10.731 1075 HG2 GLU 137 HG2 GLU 137 -2.116 -11.218 -10.256 1076 HG3 GLU 137 HG3 GLU 137 -2.761 -10.284 -11.595 1077 H GLU 138 H GLU 138 -1.619 -10.124 -14.953 1078 HA GLU 138 HA GLU 138 -3.257 -9.215 -16.214 1079 HB2 GLU 138 HB2 GLU 138 -3.942 -7.726 -13.654 1080 HB3 GLU 138 HB3 GLU 138 -4.861 -7.502 -15.133 1081 HG2 GLU 138 HG2 GLU 138 -4.520 -10.129 -13.660 1082 HG3 GLU 138 HG3 GLU 138 -5.949 -9.092 -13.614 1083 H ILE 139 H ILE 139 -4.162 -6.964 -17.035 1084 HA ILE 139 HA ILE 139 -3.894 -4.946 -18.032 1085 HB ILE 139 HB ILE 139 -1.863 -4.305 -15.836 1086 HG12 ILE 139 HG12 ILE 139 -4.912 -4.074 -15.677 1087 HG13 ILE 139 HG13 ILE 139 -3.948 -5.298 -14.862 1088 HG21 ILE 139 HG21 ILE 139 -3.757 -2.455 -17.347 1089 HG22 ILE 139 HG22 ILE 139 -2.011 -2.560 -17.584 1090 HG23 ILE 139 HG23 ILE 139 -2.655 -1.976 -16.052 1091 HD11 ILE 139 HD11 ILE 139 -3.902 -2.335 -14.331 1092 HD12 ILE 139 HD12 ILE 139 -2.835 -3.519 -13.574 1093 HD13 ILE 139 HD13 ILE 139 -4.573 -3.605 -13.306 1094 H LYS 140 H LYS 140 -1.949 -7.239 -18.654 1095 HA LYS 140 HA LYS 140 0.587 -6.065 -19.338 1096 HB2 LYS 140 HB2 LYS 140 0.338 -8.438 -18.673 1097 HB3 LYS 140 HB3 LYS 140 -0.606 -8.762 -20.124 1098 HG2 LYS 140 HG2 LYS 140 1.387 -8.167 -21.509 1099 HG3 LYS 140 HG3 LYS 140 2.325 -7.933 -20.034 1100 HD2 LYS 140 HD2 LYS 140 1.010 -10.556 -20.860 1101 HD3 LYS 140 HD3 LYS 140 2.708 -10.159 -21.114 1102 HE2 LYS 140 HE2 LYS 140 3.061 -10.009 -18.695 1103 HE3 LYS 140 HE3 LYS 140 1.350 -10.345 -18.407 1104 HZ1 LYS 140 HZ1 LYS 140 2.781 -12.307 -18.159 1105 HZ2 LYS 140 HZ2 LYS 140 3.220 -12.198 -19.785 1106 HZ3 LYS 140 HZ3 LYS 140 1.618 -12.519 -19.362 1107 H SER 141 H SER 141 -2.393 -6.745 -21.060 1108 HA SER 141 HA SER 141 -1.483 -6.092 -23.695 1109 HB2 SER 141 HB2 SER 141 -3.501 -7.480 -23.323 1110 HB3 SER 141 HB3 SER 141 -4.302 -6.140 -22.507 1111 HG SER 141 HG SER 141 -4.592 -5.133 -24.399 Start of MODEL 6 1 H1 MET 1 H1 MET 1 -16.624 37.152 -49.554 2 H2 MET 1 H2 MET 1 -16.899 38.775 -49.186 3 H3 MET 1 H3 MET 1 -17.560 37.568 -48.211 4 HA MET 1 HA MET 1 -15.401 36.860 -47.519 5 HB2 MET 1 HB2 MET 1 -13.379 38.125 -48.160 6 HB3 MET 1 HB3 MET 1 -14.168 37.449 -49.573 7 HG2 MET 1 HG2 MET 1 -15.154 39.690 -50.053 8 HG3 MET 1 HG3 MET 1 -14.251 40.344 -48.687 9 HE1 MET 1 HE1 MET 1 -14.035 38.820 -52.325 10 HE2 MET 1 HE2 MET 1 -13.117 37.639 -51.388 11 HE3 MET 1 HE3 MET 1 -12.290 38.681 -52.544 12 H GLY 2 H GLY 2 -13.968 38.224 -45.959 13 HA2 GLY 2 HA2 GLY 2 -14.706 40.717 -44.946 14 HA3 GLY 2 HA3 GLY 2 -15.707 39.516 -44.120 15 H HIS 3 H HIS 3 -12.343 40.112 -45.066 16 HA HIS 3 HA HIS 3 -11.241 38.177 -43.279 17 HB2 HIS 3 HB2 HIS 3 -10.287 38.817 -45.526 18 HB3 HIS 3 HB3 HIS 3 -9.783 40.352 -44.836 19 HD1 HIS 3 HD1 HIS 3 -7.460 40.372 -43.907 20 HD2 HIS 3 HD2 HIS 3 -8.945 36.507 -44.219 21 HE1 HIS 3 HE1 HIS 3 -5.546 38.864 -43.333 22 HE2 HIS 3 HE2 HIS 3 -6.408 36.548 -43.740 23 H HIS 4 H HIS 4 -12.151 38.923 -41.314 24 HA HIS 4 HA HIS 4 -10.286 40.595 -39.796 25 HB2 HIS 4 HB2 HIS 4 -13.308 41.049 -39.819 26 HB3 HIS 4 HB3 HIS 4 -12.278 41.597 -38.498 27 HD1 HIS 4 HD1 HIS 4 -13.435 42.520 -41.868 28 HD2 HIS 4 HD2 HIS 4 -10.407 43.683 -39.263 29 HE1 HIS 4 HE1 HIS 4 -12.583 44.709 -42.760 30 HE2 HIS 4 HE2 HIS 4 -10.838 45.441 -41.107 31 H HIS 5 H HIS 5 -9.484 38.951 -38.664 32 HA HIS 5 HA HIS 5 -11.145 37.402 -36.847 33 HB2 HIS 5 HB2 HIS 5 -11.154 36.109 -39.030 34 HB3 HIS 5 HB3 HIS 5 -9.401 36.006 -38.946 35 HD1 HIS 5 HD1 HIS 5 -8.496 33.988 -37.788 36 HD2 HIS 5 HD2 HIS 5 -12.471 34.678 -36.788 37 HE1 HIS 5 HE1 HIS 5 -9.225 31.967 -36.488 38 HE2 HIS 5 HE2 HIS 5 -11.577 32.471 -35.781 39 H HIS 6 H HIS 6 -9.719 39.198 -35.860 40 HA HIS 6 HA HIS 6 -7.228 37.951 -34.818 41 HB2 HIS 6 HB2 HIS 6 -7.816 40.929 -35.220 42 HB3 HIS 6 HB3 HIS 6 -6.447 40.316 -34.298 43 HD1 HIS 6 HD1 HIS 6 -4.350 40.292 -35.609 44 HD2 HIS 6 HD2 HIS 6 -7.667 39.806 -38.068 45 HE1 HIS 6 HE1 HIS 6 -3.453 40.231 -37.955 46 HE2 HIS 6 HE2 HIS 6 -5.453 39.801 -39.402 47 H HIS 7 H HIS 7 -8.624 36.880 -33.296 48 HA HIS 7 HA HIS 7 -8.696 38.167 -30.797 49 HB2 HIS 7 HB2 HIS 7 -11.106 38.142 -30.278 50 HB3 HIS 7 HB3 HIS 7 -10.794 39.202 -31.647 51 HD1 HIS 7 HD1 HIS 7 -13.107 36.742 -30.546 52 HD2 HIS 7 HD2 HIS 7 -11.414 37.672 -34.235 53 HE1 HIS 7 HE1 HIS 7 -14.619 35.715 -32.269 54 HE2 HIS 7 HE2 HIS 7 -13.609 36.325 -34.481 55 H HIS 8 H HIS 8 -7.694 36.504 -29.849 56 HA HIS 8 HA HIS 8 -8.686 33.743 -30.093 57 HB2 HIS 8 HB2 HIS 8 -6.219 34.905 -28.710 58 HB3 HIS 8 HB3 HIS 8 -6.667 33.203 -28.635 59 HD1 HIS 8 HD1 HIS 8 -5.441 31.813 -30.294 60 HD2 HIS 8 HD2 HIS 8 -5.899 35.724 -31.630 61 HE1 HIS 8 HE1 HIS 8 -4.229 31.926 -32.491 62 HE2 HIS 8 HE2 HIS 8 -4.427 34.321 -33.226 63 H SER 9 H SER 9 -10.710 34.525 -29.147 64 HA SER 9 HA SER 9 -10.719 35.560 -26.438 65 HB2 SER 9 HB2 SER 9 -13.058 34.884 -28.279 66 HB3 SER 9 HB3 SER 9 -13.120 35.863 -26.812 67 HG SER 9 HG SER 9 -11.772 37.375 -27.821 68 H HIS 10 H HIS 10 -10.170 34.040 -24.987 69 HA HIS 10 HA HIS 10 -12.110 32.001 -24.334 70 HB2 HIS 10 HB2 HIS 10 -10.498 30.136 -24.147 71 HB3 HIS 10 HB3 HIS 10 -10.595 30.691 -25.813 72 HD1 HIS 10 HD1 HIS 10 -8.224 29.980 -23.134 73 HD2 HIS 10 HD2 HIS 10 -8.261 32.338 -26.563 74 HE1 HIS 10 HE1 HIS 10 -5.821 30.518 -23.620 75 HE2 HIS 10 HE2 HIS 10 -5.857 31.822 -25.760 76 H MET 11 H MET 11 -12.522 32.506 -22.268 77 HA MET 11 HA MET 11 -10.589 33.781 -20.516 78 HB2 MET 11 HB2 MET 11 -13.050 34.291 -20.400 79 HB3 MET 11 HB3 MET 11 -13.362 32.642 -19.878 80 HG2 MET 11 HG2 MET 11 -12.044 33.040 -17.831 81 HG3 MET 11 HG3 MET 11 -11.739 34.700 -18.352 82 HE1 MET 11 HE1 MET 11 -14.724 35.407 -19.631 83 HE2 MET 11 HE2 MET 11 -13.747 36.522 -18.672 84 HE3 MET 11 HE3 MET 11 -15.421 36.203 -18.221 85 H GLN 12 H GLN 12 -9.196 32.750 -19.234 86 HA GLN 12 HA GLN 12 -8.883 29.905 -19.324 87 HB2 GLN 12 HB2 GLN 12 -7.444 31.801 -17.415 88 HB3 GLN 12 HB3 GLN 12 -6.890 30.242 -17.999 89 HG2 GLN 12 HG2 GLN 12 -7.203 32.688 -19.760 90 HG3 GLN 12 HG3 GLN 12 -5.705 32.227 -18.962 91 HE21 GLN 12 HE21 GLN 12 -4.582 32.012 -20.876 92 HE22 GLN 12 HE22 GLN 12 -4.857 30.731 -22.000 93 H GLU 13 H GLU 13 -10.907 29.193 -18.462 94 HA GLU 13 HA GLU 13 -11.181 29.337 -15.520 95 HB2 GLU 13 HB2 GLU 13 -12.825 30.851 -16.938 96 HB3 GLU 13 HB3 GLU 13 -13.632 29.347 -17.338 97 HG2 GLU 13 HG2 GLU 13 -13.243 30.440 -14.531 98 HG3 GLU 13 HG3 GLU 13 -14.707 30.588 -15.482 99 H LEU 14 H LEU 14 -9.992 27.388 -15.711 100 HA LEU 14 HA LEU 14 -11.619 25.000 -16.371 101 HB2 LEU 14 HB2 LEU 14 -8.566 25.252 -16.437 102 HB3 LEU 14 HB3 LEU 14 -9.464 23.764 -16.664 103 HG LEU 14 HG LEU 14 -10.529 24.912 -18.746 104 HD11 LEU 14 HD11 LEU 14 -9.185 26.660 -19.828 105 HD12 LEU 14 HD12 LEU 14 -8.173 26.784 -18.386 106 HD13 LEU 14 HD13 LEU 14 -9.884 27.209 -18.306 107 HD21 LEU 14 HD21 LEU 14 -8.915 23.069 -18.902 108 HD22 LEU 14 HD22 LEU 14 -7.575 24.215 -18.827 109 HD23 LEU 14 HD23 LEU 14 -8.684 24.238 -20.201 110 HA PRO 15 HA PRO 15 -11.323 24.116 -11.961 111 HB2 PRO 15 HB2 PRO 15 -11.265 21.190 -12.651 112 HB3 PRO 15 HB3 PRO 15 -12.444 22.102 -11.681 113 HG2 PRO 15 HG2 PRO 15 -13.077 21.226 -14.131 114 HG3 PRO 15 HG3 PRO 15 -13.659 22.803 -13.544 115 HD2 PRO 15 HD2 PRO 15 -11.357 22.215 -15.411 116 HD3 PRO 15 HD3 PRO 15 -12.609 23.474 -15.525 117 H ASP 16 H ASP 16 -9.240 24.919 -11.610 118 HA ASP 16 HA ASP 16 -6.782 23.706 -12.205 119 HB2 ASP 16 HB2 ASP 16 -7.490 25.615 -9.924 120 HB3 ASP 16 HB3 ASP 16 -5.842 25.137 -10.321 121 H SER 17 H SER 17 -6.265 21.693 -11.627 122 HA SER 17 HA SER 17 -6.070 20.921 -8.853 123 HB2 SER 17 HB2 SER 17 -8.420 20.324 -9.259 124 HB3 SER 17 HB3 SER 17 -7.985 19.428 -10.713 125 HG SER 17 HG SER 17 -6.871 17.949 -9.423 126 H GLY 18 H GLY 18 -4.381 19.587 -8.587 127 HA2 GLY 18 HA2 GLY 18 -3.115 18.288 -10.943 128 HA3 GLY 18 HA3 GLY 18 -2.307 18.720 -9.437 129 H ALA 19 H ALA 19 -2.299 16.136 -10.671 130 HA ALA 19 HA ALA 19 -4.033 14.368 -9.158 131 HB1 ALA 19 HB1 ALA 19 -3.315 13.789 -11.449 132 HB2 ALA 19 HB2 ALA 19 -2.796 12.562 -10.294 133 HB3 ALA 19 HB3 ALA 19 -1.631 13.732 -10.921 134 H LEU 20 H LEU 20 -2.636 12.331 -8.249 135 HA LEU 20 HA LEU 20 -1.349 13.323 -5.865 136 HB2 LEU 20 HB2 LEU 20 -2.917 11.334 -5.971 137 HB3 LEU 20 HB3 LEU 20 -1.669 10.454 -6.835 138 HG LEU 20 HG LEU 20 -0.174 10.702 -4.812 139 HD11 LEU 20 HD11 LEU 20 -1.226 12.699 -3.860 140 HD12 LEU 20 HD12 LEU 20 -1.154 11.384 -2.692 141 HD13 LEU 20 HD13 LEU 20 -2.680 11.767 -3.491 142 HD21 LEU 20 HD21 LEU 20 -2.822 9.300 -4.319 143 HD22 LEU 20 HD22 LEU 20 -1.305 8.977 -3.474 144 HD23 LEU 20 HD23 LEU 20 -1.444 8.632 -5.197 145 H MET 21 H MET 21 0.670 14.213 -6.325 146 HA MET 21 HA MET 21 2.667 12.589 -7.778 147 HB2 MET 21 HB2 MET 21 2.477 14.987 -8.395 148 HB3 MET 21 HB3 MET 21 2.830 15.459 -6.739 149 HG2 MET 21 HG2 MET 21 5.085 14.469 -6.946 150 HG3 MET 21 HG3 MET 21 4.726 14.013 -8.615 151 HE1 MET 21 HE1 MET 21 7.301 15.783 -7.726 152 HE2 MET 21 HE2 MET 21 7.300 16.960 -9.040 153 HE3 MET 21 HE3 MET 21 6.963 15.263 -9.378 154 H LEU 22 H LEU 22 3.199 11.004 -6.364 155 HA LEU 22 HA LEU 22 3.663 11.384 -3.564 156 HB2 LEU 22 HB2 LEU 22 4.354 9.041 -5.380 157 HB3 LEU 22 HB3 LEU 22 4.458 9.002 -3.627 158 HG LEU 22 HG LEU 22 1.862 9.492 -5.141 159 HD11 LEU 22 HD11 LEU 22 2.682 7.249 -5.671 160 HD12 LEU 22 HD12 LEU 22 1.249 7.174 -4.650 161 HD13 LEU 22 HD13 LEU 22 2.844 6.879 -3.951 162 HD21 LEU 22 HD21 LEU 22 1.848 10.392 -2.875 163 HD22 LEU 22 HD22 LEU 22 2.365 8.838 -2.222 164 HD23 LEU 22 HD23 LEU 22 0.782 8.994 -2.990 165 H VAL 23 H VAL 23 5.529 11.728 -2.478 166 HA VAL 23 HA VAL 23 8.045 12.087 -4.013 167 HB VAL 23 HB VAL 23 8.534 14.119 -2.652 168 HG11 VAL 23 HG11 VAL 23 5.896 14.312 -4.160 169 HG12 VAL 23 HG12 VAL 23 7.513 14.424 -4.861 170 HG13 VAL 23 HG13 VAL 23 6.951 15.671 -3.748 171 HG21 VAL 23 HG21 VAL 23 5.708 13.818 -1.581 172 HG22 VAL 23 HG22 VAL 23 6.763 15.206 -1.310 173 HG23 VAL 23 HG23 VAL 23 7.195 13.626 -0.656 174 HA PRO 24 HA PRO 24 9.609 9.575 -0.677 175 HB2 PRO 24 HB2 PRO 24 12.347 9.829 -1.286 176 HB3 PRO 24 HB3 PRO 24 11.212 8.731 -2.086 177 HG2 PRO 24 HG2 PRO 24 12.512 11.028 -3.221 178 HG3 PRO 24 HG3 PRO 24 11.383 9.909 -4.010 179 HD2 PRO 24 HD2 PRO 24 10.864 12.602 -2.879 180 HD3 PRO 24 HD3 PRO 24 9.939 11.682 -4.087 181 H ASN 25 H ASN 25 8.966 10.896 1.065 182 HA ASN 25 HA ASN 25 10.800 12.923 2.155 183 HB2 ASN 25 HB2 ASN 25 8.036 12.013 3.103 184 HB3 ASN 25 HB3 ASN 25 8.953 13.358 3.775 185 HD21 ASN 25 HD21 ASN 25 6.304 13.350 2.561 186 HD22 ASN 25 HD22 ASN 25 6.373 14.458 1.243 187 H ARG 26 H ARG 26 10.294 12.587 4.906 188 HA ARG 26 HA ARG 26 12.089 10.569 5.716 189 HB2 ARG 26 HB2 ARG 26 10.147 12.333 7.260 190 HB3 ARG 26 HB3 ARG 26 11.077 11.093 8.088 191 HG2 ARG 26 HG2 ARG 26 12.201 13.473 6.578 192 HG3 ARG 26 HG3 ARG 26 12.170 13.238 8.328 193 HD2 ARG 26 HD2 ARG 26 13.781 11.684 6.286 194 HD3 ARG 26 HD3 ARG 26 14.390 12.718 7.582 195 HE ARG 26 HE ARG 26 13.243 10.966 9.096 196 HH11 ARG 26 HH11 ARG 26 14.924 10.187 6.093 197 HH12 ARG 26 HH12 ARG 26 15.327 8.579 6.605 198 HH21 ARG 26 HH21 ARG 26 13.702 8.828 9.700 199 HH22 ARG 26 HH22 ARG 26 14.634 7.814 8.643 200 H GLN 27 H GLN 27 11.782 8.505 5.743 201 HA GLN 27 HA GLN 27 9.404 7.109 5.321 202 HB2 GLN 27 HB2 GLN 27 10.754 5.077 5.912 203 HB3 GLN 27 HB3 GLN 27 11.533 6.124 4.737 204 HG2 GLN 27 HG2 GLN 27 12.985 7.032 6.529 205 HG3 GLN 27 HG3 GLN 27 12.213 5.937 7.681 206 HE21 GLN 27 HE21 GLN 27 12.648 3.690 7.526 207 HE22 GLN 27 HE22 GLN 27 13.998 3.076 6.639 208 H LEU 28 H LEU 28 7.889 6.208 6.637 209 HA LEU 28 HA LEU 28 7.785 6.969 9.434 210 HB2 LEU 28 HB2 LEU 28 5.848 5.182 7.912 211 HB3 LEU 28 HB3 LEU 28 5.549 6.006 9.433 212 HG LEU 28 HG LEU 28 5.810 7.283 6.685 213 HD11 LEU 28 HD11 LEU 28 3.460 7.902 7.032 214 HD12 LEU 28 HD12 LEU 28 3.452 7.046 8.576 215 HD13 LEU 28 HD13 LEU 28 3.685 6.154 7.070 216 HD21 LEU 28 HD21 LEU 28 5.399 8.667 9.349 217 HD22 LEU 28 HD22 LEU 28 5.277 9.433 7.762 218 HD23 LEU 28 HD23 LEU 28 6.822 8.790 8.312 219 H THR 29 H THR 29 7.834 5.548 11.190 220 HA THR 29 HA THR 29 9.156 2.985 10.900 221 HB THR 29 HB THR 29 8.956 2.872 13.398 222 HG1 THR 29 HG1 THR 29 8.117 4.801 14.445 223 HG21 THR 29 HG21 THR 29 10.405 4.802 13.936 224 HG22 THR 29 HG22 THR 29 10.004 5.538 12.383 225 HG23 THR 29 HG23 THR 29 10.910 4.025 12.433 226 H ALA 30 H ALA 30 8.213 0.977 11.747 227 HA ALA 30 HA ALA 30 5.609 0.408 10.848 228 HB1 ALA 30 HB1 ALA 30 5.950 -1.825 11.818 229 HB2 ALA 30 HB2 ALA 30 7.363 -1.237 12.703 230 HB3 ALA 30 HB3 ALA 30 7.378 -1.282 10.940 231 H ASP 31 H ASP 31 6.832 1.157 14.089 232 HA ASP 31 HA ASP 31 4.499 0.698 15.587 233 HB2 ASP 31 HB2 ASP 31 6.662 2.807 16.029 234 HB3 ASP 31 HB3 ASP 31 5.489 2.291 17.235 235 H TYR 32 H TYR 32 5.654 3.628 13.914 236 HA TYR 32 HA TYR 32 3.557 5.362 14.719 237 HB2 TYR 32 HB2 TYR 32 5.791 6.142 13.900 238 HB3 TYR 32 HB3 TYR 32 5.383 5.588 12.282 239 HD1 TYR 32 HD2 TYR 32 4.188 7.899 14.981 240 HD2 TYR 32 HD1 TYR 32 4.355 7.135 10.779 241 HE1 TYR 32 HE2 TYR 32 3.181 10.090 14.540 242 HE2 TYR 32 HE1 TYR 32 3.348 9.332 10.338 243 HH TYR 32 HH TYR 32 3.067 11.741 12.711 244 H PHE 33 H PHE 33 4.138 3.425 11.811 245 HA PHE 33 HA PHE 33 1.942 4.211 10.268 246 HB2 PHE 33 HB2 PHE 33 3.768 2.861 9.315 247 HB3 PHE 33 HB3 PHE 33 3.353 1.494 10.345 248 HD1 PHE 33 HD1 PHE 33 1.337 0.112 9.828 249 HD2 PHE 33 HD2 PHE 33 2.429 3.404 7.327 250 HE1 PHE 33 HE1 PHE 33 -0.229 -0.670 8.101 251 HE2 PHE 33 HE2 PHE 33 0.873 2.598 5.612 252 HZ PHE 33 HZ PHE 33 -0.467 0.573 5.994 253 H GLU 34 H GLU 34 2.314 1.496 12.567 254 HA GLU 34 HA GLU 34 -0.249 0.353 12.334 255 HB2 GLU 34 HB2 GLU 34 1.719 -0.790 13.353 256 HB3 GLU 34 HB3 GLU 34 1.670 0.320 14.718 257 HG2 GLU 34 HG2 GLU 34 -0.622 -0.577 15.273 258 HG3 GLU 34 HG3 GLU 34 -0.415 -1.768 13.988 259 H LYS 35 H LYS 35 1.038 2.874 14.456 260 HA LYS 35 HA LYS 35 -1.160 3.296 16.153 261 HB2 LYS 35 HB2 LYS 35 0.987 4.288 16.690 262 HB3 LYS 35 HB3 LYS 35 1.029 5.172 15.169 263 HG2 LYS 35 HG2 LYS 35 -0.929 6.522 15.951 264 HG3 LYS 35 HG3 LYS 35 -0.845 5.698 17.505 265 HD2 LYS 35 HD2 LYS 35 1.409 7.356 16.311 266 HD3 LYS 35 HD3 LYS 35 0.235 7.971 17.475 267 HE2 LYS 35 HE2 LYS 35 2.167 5.685 17.967 268 HE3 LYS 35 HE3 LYS 35 2.358 7.336 18.561 269 HZ1 LYS 35 HZ1 LYS 35 0.104 5.522 19.249 270 HZ2 LYS 35 HZ2 LYS 35 0.337 7.090 19.836 271 HZ3 LYS 35 HZ3 LYS 35 1.426 5.863 20.246 272 H THR 36 H THR 36 -0.258 4.929 13.114 273 HA THR 36 HA THR 36 -2.517 6.655 12.993 274 HB THR 36 HB THR 36 -0.616 5.848 10.732 275 HG1 THR 36 HG1 THR 36 0.755 6.777 12.079 276 HG21 THR 36 HG21 THR 36 -2.300 8.378 11.060 277 HG22 THR 36 HG22 THR 36 -2.615 7.079 9.906 278 HG23 THR 36 HG23 THR 36 -1.156 8.055 9.755 279 H TRP 37 H TRP 37 -1.828 3.440 11.786 280 HA TRP 37 HA TRP 37 -3.865 3.064 9.908 281 HB2 TRP 37 HB2 TRP 37 -1.921 1.534 10.147 282 HB3 TRP 37 HB3 TRP 37 -2.493 1.022 11.733 283 HD1 TRP 37 HD1 TRP 37 -4.380 -0.864 11.792 284 HE1 TRP 37 HE1 TRP 37 -5.497 -2.315 9.988 285 HE3 TRP 37 HE3 TRP 37 -2.654 1.533 7.627 286 HZ2 TRP 37 HZ2 TRP 37 -5.621 -2.440 7.178 287 HZ3 TRP 37 HZ3 TRP 37 -3.314 0.688 5.417 288 HH2 TRP 37 HH2 TRP 37 -4.765 -1.259 5.195 289 H LEU 38 H LEU 38 -3.736 2.240 13.377 290 HA LEU 38 HA LEU 38 -6.454 1.359 13.532 291 HB2 LEU 38 HB2 LEU 38 -4.478 2.087 15.737 292 HB3 LEU 38 HB3 LEU 38 -6.001 1.242 15.985 293 HG LEU 38 HG LEU 38 -3.648 0.165 14.371 294 HD11 LEU 38 HD11 LEU 38 -3.314 -1.441 16.192 295 HD12 LEU 38 HD12 LEU 38 -4.588 -0.660 17.132 296 HD13 LEU 38 HD13 LEU 38 -3.107 0.219 16.748 297 HD21 LEU 38 HD21 LEU 38 -5.744 -0.694 13.487 298 HD22 LEU 38 HD22 LEU 38 -6.263 -1.189 15.100 299 HD23 LEU 38 HD23 LEU 38 -4.879 -1.974 14.337 300 H SER 39 H SER 39 -4.877 4.466 13.864 301 HA SER 39 HA SER 39 -7.066 5.832 15.160 302 HB2 SER 39 HB2 SER 39 -4.660 6.939 13.656 303 HB3 SER 39 HB3 SER 39 -5.778 7.899 14.628 304 HG SER 39 HG SER 39 -4.414 5.684 15.718 305 H LEU 40 H LEU 40 -6.483 4.879 11.844 306 HA LEU 40 HA LEU 40 -8.613 6.702 10.875 307 HB2 LEU 40 HB2 LEU 40 -6.289 5.393 9.386 308 HB3 LEU 40 HB3 LEU 40 -7.617 6.213 8.577 309 HG LEU 40 HG LEU 40 -5.732 7.578 10.528 310 HD11 LEU 40 HD11 LEU 40 -4.481 6.849 8.592 311 HD12 LEU 40 HD12 LEU 40 -4.657 8.597 8.576 312 HD13 LEU 40 HD13 LEU 40 -5.648 7.601 7.505 313 HD21 LEU 40 HD21 LEU 40 -6.646 9.673 9.632 314 HD22 LEU 40 HD22 LEU 40 -7.910 8.687 10.363 315 HD23 LEU 40 HD23 LEU 40 -7.759 8.761 8.607 316 H LYS 41 H LYS 41 -9.956 5.721 9.136 317 HA LYS 41 HA LYS 41 -10.391 2.809 9.491 318 HB2 LYS 41 HB2 LYS 41 -12.479 4.967 8.916 319 HB3 LYS 41 HB3 LYS 41 -12.805 3.240 9.022 320 HG2 LYS 41 HG2 LYS 41 -11.789 4.982 11.292 321 HG3 LYS 41 HG3 LYS 41 -13.455 4.432 11.091 322 HD2 LYS 41 HD2 LYS 41 -12.812 2.124 11.453 323 HD3 LYS 41 HD3 LYS 41 -11.095 2.530 11.391 324 HE2 LYS 41 HE2 LYS 41 -11.870 2.130 13.701 325 HE3 LYS 41 HE3 LYS 41 -11.286 3.778 13.490 326 HZ1 LYS 41 HZ1 LYS 41 -14.150 2.994 13.434 327 HZ2 LYS 41 HZ2 LYS 41 -13.528 4.567 13.400 328 HZ3 LYS 41 HZ3 LYS 41 -13.349 3.617 14.785 329 H VAL 42 H VAL 42 -11.091 1.653 7.590 330 HA VAL 42 HA VAL 42 -9.554 2.194 5.307 331 HB VAL 42 HB VAL 42 -11.938 0.295 5.579 332 HG11 VAL 42 HG11 VAL 42 -10.959 -0.968 3.688 333 HG12 VAL 42 HG12 VAL 42 -9.716 0.274 3.502 334 HG13 VAL 42 HG13 VAL 42 -11.408 0.673 3.206 335 HG21 VAL 42 HG21 VAL 42 -8.967 -0.242 5.950 336 HG22 VAL 42 HG22 VAL 42 -10.252 -1.451 6.041 337 HG23 VAL 42 HG23 VAL 42 -10.173 -0.157 7.236 338 H ALA 43 H ALA 43 -9.871 3.587 3.729 339 HA ALA 43 HA ALA 43 -12.402 5.004 3.318 340 HB1 ALA 43 HB1 ALA 43 -9.711 5.338 1.939 341 HB2 ALA 43 HB2 ALA 43 -10.279 6.261 3.329 342 HB3 ALA 43 HB3 ALA 43 -11.094 6.424 1.774 343 H HIS 44 H HIS 44 -10.264 2.792 1.593 344 HA HIS 44 HA HIS 44 -12.483 1.788 -0.019 345 HB2 HIS 44 HB2 HIS 44 -11.413 3.551 -1.443 346 HB3 HIS 44 HB3 HIS 44 -9.860 2.735 -1.289 347 HD2 HIS 44 HD2 HIS 44 -9.550 0.426 -2.891 348 HE1 HIS 44 HE1 HIS 44 -13.234 0.893 -4.909 349 HE2 HIS 44 HE2 HIS 44 -10.960 -0.206 -4.976 350 H GLN 45 H GLN 45 -12.214 -0.389 -0.547 351 HA GLN 45 HA GLN 45 -9.618 -1.672 -0.074 352 HB2 GLN 45 HB2 GLN 45 -10.884 -2.079 2.036 353 HB3 GLN 45 HB3 GLN 45 -12.207 -2.792 1.116 354 HG2 GLN 45 HG2 GLN 45 -10.652 -4.570 0.310 355 HG3 GLN 45 HG3 GLN 45 -9.369 -3.860 1.292 356 HE21 GLN 45 HE21 GLN 45 -9.076 -5.679 2.516 357 HE22 GLN 45 HE22 GLN 45 -10.221 -6.253 3.671 358 H GLN 46 H GLN 46 -9.148 -3.068 -1.626 359 HA GLN 46 HA GLN 46 -11.198 -3.947 -3.580 360 HB2 GLN 46 HB2 GLN 46 -10.094 -1.896 -4.408 361 HB3 GLN 46 HB3 GLN 46 -8.504 -2.589 -4.109 362 HG2 GLN 46 HG2 GLN 46 -8.960 -4.307 -5.849 363 HG3 GLN 46 HG3 GLN 46 -10.512 -3.536 -6.176 364 HE21 GLN 46 HE21 GLN 46 -7.026 -3.156 -6.401 365 HE22 GLN 46 HE22 GLN 46 -7.050 -1.876 -7.560 366 H VAL 47 H VAL 47 -10.906 -6.063 -4.213 367 HA VAL 47 HA VAL 47 -8.476 -7.511 -3.321 368 HB VAL 47 HB VAL 47 -11.191 -8.647 -4.204 369 HG11 VAL 47 HG11 VAL 47 -8.799 -10.099 -3.006 370 HG12 VAL 47 HG12 VAL 47 -9.374 -10.235 -4.670 371 HG13 VAL 47 HG13 VAL 47 -10.379 -10.815 -3.342 372 HG21 VAL 47 HG21 VAL 47 -11.369 -7.453 -2.059 373 HG22 VAL 47 HG22 VAL 47 -10.029 -8.396 -1.401 374 HG23 VAL 47 HG23 VAL 47 -11.547 -9.193 -1.819 375 H LEU 48 H LEU 48 -7.071 -8.327 -4.822 376 HA LEU 48 HA LEU 48 -7.689 -8.113 -7.705 377 HB2 LEU 48 HB2 LEU 48 -5.139 -7.354 -6.214 378 HB3 LEU 48 HB3 LEU 48 -5.196 -7.552 -7.960 379 HG LEU 48 HG LEU 48 -6.828 -5.513 -6.407 380 HD11 LEU 48 HD11 LEU 48 -4.308 -5.092 -8.047 381 HD12 LEU 48 HD12 LEU 48 -4.456 -4.949 -6.293 382 HD13 LEU 48 HD13 LEU 48 -5.311 -3.821 -7.342 383 HD21 LEU 48 HD21 LEU 48 -7.337 -4.568 -8.632 384 HD22 LEU 48 HD22 LEU 48 -7.946 -6.212 -8.455 385 HD23 LEU 48 HD23 LEU 48 -6.482 -5.913 -9.395 386 HA PRO 49 HA PRO 49 -6.204 -12.389 -7.710 387 HB2 PRO 49 HB2 PRO 49 -5.771 -12.756 -10.390 388 HB3 PRO 49 HB3 PRO 49 -7.407 -12.649 -9.709 389 HG2 PRO 49 HG2 PRO 49 -5.806 -10.530 -11.100 390 HG3 PRO 49 HG3 PRO 49 -7.520 -10.960 -11.304 391 HD2 PRO 49 HD2 PRO 49 -6.713 -8.844 -9.774 392 HD3 PRO 49 HD3 PRO 49 -8.183 -9.779 -9.419 393 H TRP 50 H TRP 50 -4.226 -12.940 -6.988 394 HA TRP 50 HA TRP 50 -1.808 -12.126 -8.493 395 HB2 TRP 50 HB2 TRP 50 -2.072 -10.956 -6.184 396 HB3 TRP 50 HB3 TRP 50 -1.789 -12.535 -5.460 397 HD1 TRP 50 HD1 TRP 50 0.691 -13.713 -6.648 398 HE1 TRP 50 HE1 TRP 50 2.959 -12.539 -6.828 399 HE3 TRP 50 HE3 TRP 50 -0.822 -8.847 -6.119 400 HZ2 TRP 50 HZ2 TRP 50 4.008 -9.940 -6.723 401 HZ3 TRP 50 HZ3 TRP 50 0.891 -7.085 -6.159 402 HH2 TRP 50 HH2 TRP 50 3.254 -7.619 -6.454 403 H ARG 51 H ARG 51 -0.880 -13.869 -9.331 404 HA ARG 51 HA ARG 51 -1.843 -16.513 -8.894 405 HB2 ARG 51 HB2 ARG 51 0.587 -15.536 -10.447 406 HB3 ARG 51 HB3 ARG 51 -0.025 -17.184 -10.505 407 HG2 ARG 51 HG2 ARG 51 -2.113 -16.416 -11.504 408 HG3 ARG 51 HG3 ARG 51 -1.597 -14.735 -11.365 409 HD2 ARG 51 HD2 ARG 51 -0.204 -16.842 -13.064 410 HD3 ARG 51 HD3 ARG 51 -1.346 -15.642 -13.674 411 HE ARG 51 HE ARG 51 0.906 -14.505 -12.264 412 HH11 ARG 51 HH11 ARG 51 -0.194 -15.577 -15.468 413 HH12 ARG 51 HH12 ARG 51 0.974 -14.602 -16.307 414 HH21 ARG 51 HH21 ARG 51 2.425 -13.300 -13.407 415 HH22 ARG 51 HH22 ARG 51 2.456 -13.319 -15.138 416 H GLY 52 H GLY 52 -0.365 -18.403 -8.513 417 HA2 GLY 52 HA2 GLY 52 0.436 -18.346 -5.809 418 HA3 GLY 52 HA3 GLY 52 0.661 -19.683 -6.923 419 H GLU 53 H GLU 53 2.268 -17.838 -8.700 420 HA GLU 53 HA GLU 53 4.880 -18.136 -7.443 421 HB2 GLU 53 HB2 GLU 53 4.190 -16.958 -10.192 422 HB3 GLU 53 HB3 GLU 53 5.790 -17.415 -9.625 423 HG2 GLU 53 HG2 GLU 53 5.078 -19.097 -11.155 424 HG3 GLU 53 HG3 GLU 53 4.996 -19.814 -9.546 425 H PHE 54 H PHE 54 4.525 -16.591 -5.718 426 HA PHE 54 HA PHE 54 3.680 -13.911 -6.217 427 HB2 PHE 54 HB2 PHE 54 3.539 -15.199 -3.961 428 HB3 PHE 54 HB3 PHE 54 5.226 -14.746 -3.717 429 HD1 PHE 54 HD1 PHE 54 5.831 -12.323 -3.439 430 HD2 PHE 54 HD2 PHE 54 1.771 -13.546 -3.797 431 HE1 PHE 54 HE1 PHE 54 5.097 -10.082 -2.746 432 HE2 PHE 54 HE2 PHE 54 1.035 -11.311 -3.095 433 HZ PHE 54 HZ PHE 54 2.698 -9.571 -2.593 434 H HIS 55 H HIS 55 4.905 -11.949 -6.142 435 HA HIS 55 HA HIS 55 7.829 -12.214 -6.596 436 HB2 HIS 55 HB2 HIS 55 5.939 -10.274 -8.011 437 HB3 HIS 55 HB3 HIS 55 7.679 -10.391 -8.260 438 HD1 HIS 55 HD1 HIS 55 8.550 -12.440 -9.627 439 HD2 HIS 55 HD2 HIS 55 4.426 -12.279 -9.269 440 HE1 HIS 55 HE1 HIS 55 7.669 -14.204 -11.181 441 HE2 HIS 55 HE2 HIS 55 5.173 -13.923 -11.104 442 HA PRO 56 HA PRO 56 7.021 -9.435 -2.928 443 HB2 PRO 56 HB2 PRO 56 9.516 -10.520 -1.757 444 HB3 PRO 56 HB3 PRO 56 7.852 -10.636 -1.155 445 HG2 PRO 56 HG2 PRO 56 9.201 -12.788 -2.114 446 HG3 PRO 56 HG3 PRO 56 7.435 -12.627 -2.234 447 HD2 PRO 56 HD2 PRO 56 9.524 -12.121 -4.352 448 HD3 PRO 56 HD3 PRO 56 7.951 -12.946 -4.484 449 H ASP 57 H ASP 57 10.301 -10.101 -4.144 450 HA ASP 57 HA ASP 57 11.413 -7.565 -3.522 451 HB2 ASP 57 HB2 ASP 57 12.374 -9.732 -5.441 452 HB3 ASP 57 HB3 ASP 57 13.337 -8.348 -4.938 453 H THR 58 H THR 58 9.941 -8.896 -6.470 454 HA THR 58 HA THR 58 10.663 -6.809 -8.276 455 HB THR 58 HB THR 58 8.215 -8.636 -8.445 456 HG1 THR 58 HG1 THR 58 10.945 -9.117 -8.951 457 HG21 THR 58 HG21 THR 58 8.449 -8.361 -10.879 458 HG22 THR 58 HG22 THR 58 9.808 -7.261 -10.638 459 HG23 THR 58 HG23 THR 58 8.192 -6.801 -10.094 460 H LEU 59 H LEU 59 7.734 -7.516 -6.374 461 HA LEU 59 HA LEU 59 6.163 -5.289 -6.932 462 HB2 LEU 59 HB2 LEU 59 5.365 -7.286 -5.706 463 HB3 LEU 59 HB3 LEU 59 6.386 -6.864 -4.344 464 HG LEU 59 HG LEU 59 5.005 -4.831 -3.946 465 HD11 LEU 59 HD11 LEU 59 4.229 -4.364 -6.214 466 HD12 LEU 59 HD12 LEU 59 2.868 -4.512 -5.109 467 HD13 LEU 59 HD13 LEU 59 3.251 -5.836 -6.211 468 HD21 LEU 59 HD21 LEU 59 3.444 -7.436 -4.041 469 HD22 LEU 59 HD22 LEU 59 2.992 -6.007 -3.113 470 HD23 LEU 59 HD23 LEU 59 4.477 -6.867 -2.725 471 H GLN 60 H GLN 60 8.557 -5.805 -4.372 472 HA GLN 60 HA GLN 60 8.303 -3.434 -2.929 473 HB2 GLN 60 HB2 GLN 60 9.833 -5.754 -2.736 474 HB3 GLN 60 HB3 GLN 60 11.075 -4.562 -3.042 475 HG2 GLN 60 HG2 GLN 60 9.069 -4.480 -0.761 476 HG3 GLN 60 HG3 GLN 60 10.725 -5.058 -0.649 477 HE21 GLN 60 HE21 GLN 60 11.404 -3.621 0.857 478 HE22 GLN 60 HE22 GLN 60 11.522 -1.922 0.590 479 H MET 61 H MET 61 10.679 -4.234 -5.510 480 HA MET 61 HA MET 61 12.027 -1.767 -5.539 481 HB2 MET 61 HB2 MET 61 11.755 -3.876 -7.720 482 HB3 MET 61 HB3 MET 61 12.811 -2.476 -7.860 483 HG2 MET 61 HG2 MET 61 14.071 -3.238 -5.884 484 HG3 MET 61 HG3 MET 61 13.024 -4.651 -5.769 485 HE1 MET 61 HE1 MET 61 12.602 -5.419 -8.868 486 HE2 MET 61 HE2 MET 61 12.966 -6.623 -7.629 487 HE3 MET 61 HE3 MET 61 13.919 -6.562 -9.110 488 H ALA 62 H ALA 62 9.186 -2.884 -7.380 489 HA ALA 62 HA ALA 62 9.050 -0.652 -9.163 490 HB1 ALA 62 HB1 ALA 62 6.792 -1.492 -9.710 491 HB2 ALA 62 HB2 ALA 62 6.867 -2.601 -8.338 492 HB3 ALA 62 HB3 ALA 62 7.975 -2.798 -9.697 493 H LEU 63 H LEU 63 7.549 -1.432 -6.042 494 HA LEU 63 HA LEU 63 5.887 0.782 -5.650 495 HB2 LEU 63 HB2 LEU 63 7.463 -0.884 -3.641 496 HB3 LEU 63 HB3 LEU 63 6.289 0.328 -3.155 497 HG LEU 63 HG LEU 63 5.610 -2.118 -4.834 498 HD11 LEU 63 HD11 LEU 63 4.626 -3.080 -2.801 499 HD12 LEU 63 HD12 LEU 63 5.229 -1.716 -1.854 500 HD13 LEU 63 HD13 LEU 63 6.362 -2.825 -2.627 501 HD21 LEU 63 HD21 LEU 63 4.053 -0.257 -5.178 502 HD22 LEU 63 HD22 LEU 63 3.783 -0.139 -3.438 503 HD23 LEU 63 HD23 LEU 63 3.277 -1.585 -4.315 504 H GLN 64 H GLN 64 9.293 0.304 -4.688 505 HA GLN 64 HA GLN 64 9.835 2.850 -3.700 506 HB2 GLN 64 HB2 GLN 64 11.668 0.791 -5.006 507 HB3 GLN 64 HB3 GLN 64 12.265 2.257 -4.232 508 HG2 GLN 64 HG2 GLN 64 11.387 1.559 -2.076 509 HG3 GLN 64 HG3 GLN 64 10.583 0.172 -2.807 510 HE21 GLN 64 HE21 GLN 64 11.814 -1.654 -3.333 511 HE22 GLN 64 HE22 GLN 64 13.433 -1.876 -2.772 512 H VAL 65 H VAL 65 9.830 1.742 -7.139 513 HA VAL 65 HA VAL 65 11.045 4.078 -8.240 514 HB VAL 65 HB VAL 65 9.119 2.103 -9.580 515 HG11 VAL 65 HG11 VAL 65 10.969 4.130 -10.898 516 HG12 VAL 65 HG12 VAL 65 9.207 4.195 -10.867 517 HG13 VAL 65 HG13 VAL 65 10.025 2.904 -11.748 518 HG21 VAL 65 HG21 VAL 65 12.162 2.161 -9.634 519 HG22 VAL 65 HG22 VAL 65 11.138 1.034 -10.527 520 HG23 VAL 65 HG23 VAL 65 11.164 0.996 -8.767 521 H VAL 66 H VAL 66 7.762 3.316 -7.236 522 HA VAL 66 HA VAL 66 6.746 5.902 -8.263 523 HB VAL 66 HB VAL 66 4.455 5.016 -7.866 524 HG11 VAL 66 HG11 VAL 66 5.463 4.789 -10.097 525 HG12 VAL 66 HG12 VAL 66 4.382 3.442 -9.750 526 HG13 VAL 66 HG13 VAL 66 6.130 3.214 -9.650 527 HG21 VAL 66 HG21 VAL 66 4.924 3.418 -6.068 528 HG22 VAL 66 HG22 VAL 66 5.829 2.394 -7.181 529 HG23 VAL 66 HG23 VAL 66 4.089 2.613 -7.399 530 H ASN 67 H ASN 67 8.357 5.161 -5.699 531 HA ASN 67 HA ASN 67 8.675 6.133 -3.682 532 HB2 ASN 67 HB2 ASN 67 6.686 8.181 -4.769 533 HB3 ASN 67 HB3 ASN 67 7.617 8.413 -3.294 534 HD21 ASN 67 HD21 ASN 67 10.095 7.240 -4.291 535 HD22 ASN 67 HD22 ASN 67 10.732 8.366 -5.433 536 H ILE 68 H ILE 68 6.872 4.019 -3.714 537 HA ILE 68 HA ILE 68 5.029 4.584 -1.499 538 HB ILE 68 HB ILE 68 5.483 2.002 -3.084 539 HG12 ILE 68 HG12 ILE 68 4.345 3.779 -4.415 540 HG13 ILE 68 HG13 ILE 68 3.289 2.407 -4.112 541 HG21 ILE 68 HG21 ILE 68 4.799 1.477 -0.801 542 HG22 ILE 68 HG22 ILE 68 3.472 1.145 -1.911 543 HG23 ILE 68 HG23 ILE 68 3.437 2.598 -0.908 544 HD11 ILE 68 HD11 ILE 68 2.161 3.700 -2.348 545 HD12 ILE 68 HD12 ILE 68 2.085 4.481 -3.928 546 HD13 ILE 68 HD13 ILE 68 3.214 5.071 -2.709 547 H GLN 69 H GLN 69 6.092 4.696 0.337 548 HA GLN 69 HA GLN 69 8.596 3.450 0.930 549 HB2 GLN 69 HB2 GLN 69 7.579 5.700 1.804 550 HB3 GLN 69 HB3 GLN 69 6.666 4.719 2.940 551 HG2 GLN 69 HG2 GLN 69 9.685 4.819 2.753 552 HG3 GLN 69 HG3 GLN 69 8.715 5.738 3.887 553 HE21 GLN 69 HE21 GLN 69 6.899 3.563 4.566 554 HE22 GLN 69 HE22 GLN 69 7.830 2.461 5.510 555 H THR 70 H THR 70 8.855 1.352 1.674 556 HA THR 70 HA THR 70 6.432 -0.215 2.271 557 HB THR 70 HB THR 70 9.282 -1.165 1.703 558 HG1 THR 70 HG1 THR 70 8.677 -1.017 -0.311 559 HG21 THR 70 HG21 THR 70 6.707 -2.778 1.991 560 HG22 THR 70 HG22 THR 70 8.068 -2.800 3.115 561 HG23 THR 70 HG23 THR 70 8.268 -3.419 1.475 562 H ILE 71 H ILE 71 5.895 -0.105 4.316 563 HA ILE 71 HA ILE 71 7.564 0.465 6.543 564 HB ILE 71 HB ILE 71 4.719 -0.591 6.280 565 HG12 ILE 71 HG12 ILE 71 5.223 1.741 5.423 566 HG13 ILE 71 HG13 ILE 71 3.984 1.658 6.663 567 HG21 ILE 71 HG21 ILE 71 4.331 -0.009 8.645 568 HG22 ILE 71 HG22 ILE 71 6.051 0.327 8.852 569 HG23 ILE 71 HG23 ILE 71 5.510 -1.309 8.466 570 HD11 ILE 71 HD11 ILE 71 5.443 3.561 6.970 571 HD12 ILE 71 HD12 ILE 71 6.844 2.498 7.087 572 HD13 ILE 71 HD13 ILE 71 5.586 2.444 8.327 573 H ALA 72 H ALA 72 5.947 -2.503 5.399 574 HA ALA 72 HA ALA 72 7.958 -4.236 6.601 575 HB1 ALA 72 HB1 ALA 72 6.295 -5.492 7.948 576 HB2 ALA 72 HB2 ALA 72 5.051 -4.319 7.511 577 HB3 ALA 72 HB3 ALA 72 6.432 -3.821 8.491 578 H MET 73 H MET 73 7.613 -6.515 5.966 579 HA MET 73 HA MET 73 5.647 -7.185 3.968 580 HB2 MET 73 HB2 MET 73 7.280 -5.953 2.572 581 HB3 MET 73 HB3 MET 73 8.590 -6.969 3.150 582 HG2 MET 73 HG2 MET 73 7.876 -8.813 1.893 583 HG3 MET 73 HG3 MET 73 6.239 -8.190 1.717 584 HE1 MET 73 HE1 MET 73 6.713 -5.158 0.740 585 HE2 MET 73 HE2 MET 73 5.556 -6.239 -0.040 586 HE3 MET 73 HE3 MET 73 6.746 -5.369 -1.009 587 H SER 74 H SER 74 5.235 -9.364 4.030 588 HA SER 74 HA SER 74 6.676 -11.098 5.818 589 HB2 SER 74 HB2 SER 74 4.379 -11.707 3.906 590 HB3 SER 74 HB3 SER 74 4.990 -12.812 5.140 591 HG SER 74 HG SER 74 4.033 -10.214 5.729 592 H ARG 75 H ARG 75 7.337 -13.316 5.067 593 HA ARG 75 HA ARG 75 9.319 -12.905 2.943 594 HB2 ARG 75 HB2 ARG 75 9.078 -14.877 5.241 595 HB3 ARG 75 HB3 ARG 75 10.174 -15.210 3.905 596 HG2 ARG 75 HG2 ARG 75 11.412 -14.182 5.736 597 HG3 ARG 75 HG3 ARG 75 11.381 -13.100 4.349 598 HD2 ARG 75 HD2 ARG 75 9.531 -11.815 5.464 599 HD3 ARG 75 HD3 ARG 75 9.721 -12.845 6.885 600 HE ARG 75 HE ARG 75 12.216 -11.735 6.244 601 HH11 ARG 75 HH11 ARG 75 9.091 -10.620 7.438 602 HH12 ARG 75 HH12 ARG 75 9.773 -9.276 8.310 603 HH21 ARG 75 HH21 ARG 75 13.106 -9.980 7.394 604 HH22 ARG 75 HH22 ARG 75 12.051 -8.918 8.283 605 H ALA 76 H ALA 76 9.854 -14.808 1.569 606 HA ALA 76 HA ALA 76 7.706 -15.524 -0.091 607 HB1 ALA 76 HB1 ALA 76 10.492 -16.722 0.030 608 HB2 ALA 76 HB2 ALA 76 10.036 -15.273 -0.866 609 HB3 ALA 76 HB3 ALA 76 9.369 -16.839 -1.327 610 H GLY 77 H GLY 77 6.254 -17.101 0.085 611 HA2 GLY 77 HA2 GLY 77 5.367 -19.193 0.490 612 HA3 GLY 77 HA3 GLY 77 6.850 -19.682 1.294 613 H SER 78 H SER 78 6.120 -16.817 2.760 614 HA SER 78 HA SER 78 4.806 -18.026 5.029 615 HB2 SER 78 HB2 SER 78 5.393 -15.082 4.456 616 HB3 SER 78 HB3 SER 78 4.956 -15.769 6.021 617 HG SER 78 HG SER 78 7.005 -17.166 5.233 618 H ARG 79 H ARG 79 2.664 -18.386 5.073 619 HA ARG 79 HA ARG 79 0.814 -16.611 3.608 620 HB2 ARG 79 HB2 ARG 79 0.987 -19.626 3.504 621 HB3 ARG 79 HB3 ARG 79 -0.598 -18.874 3.390 622 HG2 ARG 79 HG2 ARG 79 0.091 -19.231 1.160 623 HG3 ARG 79 HG3 ARG 79 0.303 -17.507 1.438 624 HD2 ARG 79 HD2 ARG 79 2.764 -18.023 1.889 625 HD3 ARG 79 HD3 ARG 79 2.440 -19.647 1.297 626 HE ARG 79 HE ARG 79 1.913 -18.712 -0.858 627 HH11 ARG 79 HH11 ARG 79 3.521 -16.463 1.341 628 HH12 ARG 79 HH12 ARG 79 4.106 -15.448 0.060 629 HH21 ARG 79 HH21 ARG 79 2.701 -17.379 -2.516 630 HH22 ARG 79 HH22 ARG 79 3.638 -15.970 -2.124 631 HA PRO 80 HA PRO 80 -1.230 -15.814 3.649 632 HB2 PRO 80 HB2 PRO 80 -2.406 -13.699 4.923 633 HB3 PRO 80 HB3 PRO 80 -3.231 -15.257 4.720 634 HG2 PRO 80 HG2 PRO 80 -1.778 -14.205 7.125 635 HG3 PRO 80 HG3 PRO 80 -3.362 -15.011 7.029 636 HD2 PRO 80 HD2 PRO 80 -1.103 -16.351 7.745 637 HD3 PRO 80 HD3 PRO 80 -2.430 -17.133 6.855 638 H TRP 81 H TRP 81 -0.208 -14.159 2.613 639 HA TRP 81 HA TRP 81 2.256 -13.116 3.814 640 HB2 TRP 81 HB2 TRP 81 2.302 -14.109 1.528 641 HB3 TRP 81 HB3 TRP 81 1.147 -12.911 0.968 642 HD1 TRP 81 HD1 TRP 81 4.863 -13.368 1.709 643 HE1 TRP 81 HE1 TRP 81 6.152 -11.308 0.871 644 HE3 TRP 81 HE3 TRP 81 0.909 -10.301 0.611 645 HZ2 TRP 81 HZ2 TRP 81 5.580 -8.754 -0.134 646 HZ3 TRP 81 HZ3 TRP 81 1.379 -8.065 -0.290 647 HH2 TRP 81 HH2 TRP 81 3.667 -7.303 -0.650 648 H LYS 82 H LYS 82 2.182 -11.119 4.842 649 HA LYS 82 HA LYS 82 0.295 -9.100 3.764 650 HB2 LYS 82 HB2 LYS 82 -0.272 -9.858 6.076 651 HB3 LYS 82 HB3 LYS 82 1.289 -9.275 6.645 652 HG2 LYS 82 HG2 LYS 82 0.673 -6.980 5.995 653 HG3 LYS 82 HG3 LYS 82 -0.877 -7.554 5.384 654 HD2 LYS 82 HD2 LYS 82 0.029 -7.737 8.282 655 HD3 LYS 82 HD3 LYS 82 -1.025 -6.484 7.629 656 HE2 LYS 82 HE2 LYS 82 -2.664 -8.284 6.998 657 HE3 LYS 82 HE3 LYS 82 -1.637 -9.445 7.849 658 HZ1 LYS 82 HZ1 LYS 82 -1.948 -8.151 9.888 659 HZ2 LYS 82 HZ2 LYS 82 -3.435 -8.657 9.260 660 HZ3 LYS 82 HZ3 LYS 82 -2.936 -7.052 9.055 661 H ALA 83 H ALA 83 0.955 -6.960 3.638 662 HA ALA 83 HA ALA 83 3.692 -6.210 4.300 663 HB1 ALA 83 HB1 ALA 83 3.904 -6.860 1.940 664 HB2 ALA 83 HB2 ALA 83 4.058 -5.113 2.111 665 HB3 ALA 83 HB3 ALA 83 2.553 -5.811 1.500 666 H TYR 84 H TYR 84 3.771 -4.151 4.976 667 HA TYR 84 HA TYR 84 1.315 -2.503 4.858 668 HB2 TYR 84 HB2 TYR 84 3.599 -2.593 6.878 669 HB3 TYR 84 HB3 TYR 84 2.439 -1.267 6.819 670 HD1 TYR 84 HD1 TYR 84 -0.140 -2.486 6.421 671 HD2 TYR 84 HD2 TYR 84 3.119 -3.909 8.790 672 HE1 TYR 84 HE1 TYR 84 -1.716 -3.693 7.859 673 HE2 TYR 84 HE2 TYR 84 1.535 -5.124 10.226 674 HH TYR 84 HH TYR 84 -0.833 -5.010 10.852 675 H LEU 85 H LEU 85 1.401 -0.827 3.522 676 HA LEU 85 HA LEU 85 4.004 0.304 2.673 677 HB2 LEU 85 HB2 LEU 85 1.377 0.233 1.121 678 HB3 LEU 85 HB3 LEU 85 2.922 0.815 0.536 679 HG LEU 85 HG LEU 85 2.195 -2.073 1.130 680 HD11 LEU 85 HD11 LEU 85 1.172 -1.244 -0.919 681 HD12 LEU 85 HD12 LEU 85 2.451 -2.391 -1.303 682 HD13 LEU 85 HD13 LEU 85 2.734 -0.661 -1.506 683 HD21 LEU 85 HD21 LEU 85 4.419 -2.668 0.228 684 HD22 LEU 85 HD22 LEU 85 4.533 -1.727 1.713 685 HD23 LEU 85 HD23 LEU 85 4.844 -0.954 0.157 686 H SER 86 H SER 86 4.094 2.562 2.510 687 HA SER 86 HA SER 86 1.795 4.173 3.399 688 HB2 SER 86 HB2 SER 86 3.365 5.566 4.783 689 HB3 SER 86 HB3 SER 86 3.214 3.921 5.395 690 HG SER 86 HG SER 86 5.204 3.996 3.616 691 H ALA 87 H ALA 87 1.611 6.072 2.283 692 HA ALA 87 HA ALA 87 3.738 6.841 0.371 693 HB1 ALA 87 HB1 ALA 87 2.009 7.295 -1.312 694 HB2 ALA 87 HB2 ALA 87 0.749 6.729 -0.212 695 HB3 ALA 87 HB3 ALA 87 1.962 5.604 -0.824 696 H GLN 88 H GLN 88 4.152 8.989 0.371 697 HA GLN 88 HA GLN 88 2.277 10.872 1.624 698 HB2 GLN 88 HB2 GLN 88 4.301 11.897 2.812 699 HB3 GLN 88 HB3 GLN 88 3.717 10.373 3.452 700 HG2 GLN 88 HG2 GLN 88 5.562 9.256 2.068 701 HG3 GLN 88 HG3 GLN 88 6.226 10.870 1.839 702 HE21 GLN 88 HE21 GLN 88 5.538 11.801 4.519 703 HE22 GLN 88 HE22 GLN 88 6.631 11.009 5.599 704 H ASP 89 H ASP 89 1.887 12.399 0.186 705 HA ASP 89 HA ASP 89 3.664 12.621 -2.158 706 HB2 ASP 89 HB2 ASP 89 1.741 13.164 -3.423 707 HB3 ASP 89 HB3 ASP 89 1.134 11.978 -2.276 708 H ASP 90 H ASP 90 3.025 14.974 -3.238 709 HA ASP 90 HA ASP 90 4.722 16.780 -1.889 710 HB2 ASP 90 HB2 ASP 90 4.508 16.597 -4.363 711 HB3 ASP 90 HB3 ASP 90 2.879 17.258 -4.277 712 H THR 91 H THR 91 1.234 16.403 -1.783 713 HA THR 91 HA THR 91 0.792 19.089 -0.665 714 HB THR 91 HB THR 91 -1.587 18.637 -0.687 715 HG1 THR 91 HG1 THR 91 -0.796 15.955 -1.138 716 HG21 THR 91 HG21 THR 91 -1.999 18.155 -3.065 717 HG22 THR 91 HG22 THR 91 -0.357 17.532 -3.237 718 HG23 THR 91 HG23 THR 91 -0.622 19.243 -2.882 719 H GLY 92 H GLY 92 1.785 16.122 0.545 720 HA2 GLY 92 HA2 GLY 92 2.342 15.619 2.740 721 HA3 GLY 92 HA3 GLY 92 1.435 17.020 3.286 722 H CYS 93 H CYS 93 -0.210 14.862 1.189 723 HA CYS 93 HA CYS 93 -1.982 13.935 3.273 724 HB2 CYS 93 HB2 CYS 93 -1.895 13.353 0.288 725 HB3 CYS 93 HB3 CYS 93 -3.189 12.858 1.379 726 HG CYS 93 HG CYS 93 -2.366 16.155 0.945 727 H LEU 94 H LEU 94 -1.841 12.031 4.295 728 HA LEU 94 HA LEU 94 0.360 10.185 3.639 729 HB2 LEU 94 HB2 LEU 94 -0.199 11.400 6.014 730 HB3 LEU 94 HB3 LEU 94 -1.180 9.967 6.228 731 HG LEU 94 HG LEU 94 0.961 9.617 7.307 732 HD11 LEU 94 HD11 LEU 94 1.763 7.572 6.258 733 HD12 LEU 94 HD12 LEU 94 0.935 7.976 4.754 734 HD13 LEU 94 HD13 LEU 94 0.004 7.640 6.213 735 HD21 LEU 94 HD21 LEU 94 2.289 11.279 6.069 736 HD22 LEU 94 HD22 LEU 94 2.323 10.220 4.658 737 HD23 LEU 94 HD23 LEU 94 3.119 9.725 6.155 738 H PHE 95 H PHE 95 -0.077 8.160 2.947 739 HA PHE 95 HA PHE 95 -2.827 7.065 3.000 740 HB2 PHE 95 HB2 PHE 95 -0.678 6.653 0.855 741 HB3 PHE 95 HB3 PHE 95 -2.280 5.915 0.859 742 HD1 PHE 95 HD2 PHE 95 -0.431 9.104 0.490 743 HD2 PHE 95 HD1 PHE 95 -4.235 7.171 0.158 744 HE1 PHE 95 HE2 PHE 95 -1.341 11.083 -0.640 745 HE2 PHE 95 HE1 PHE 95 -5.136 9.166 -0.974 746 HZ PHE 95 HZ PHE 95 -3.687 11.115 -1.361 747 H LEU 96 H LEU 96 -3.015 5.107 3.833 748 HA LEU 96 HA LEU 96 -0.662 3.502 4.595 749 HB2 LEU 96 HB2 LEU 96 -3.399 3.537 5.919 750 HB3 LEU 96 HB3 LEU 96 -1.928 2.817 6.542 751 HG LEU 96 HG LEU 96 -2.362 5.815 6.251 752 HD11 LEU 96 HD11 LEU 96 -3.944 4.863 7.852 753 HD12 LEU 96 HD12 LEU 96 -2.742 5.866 8.652 754 HD13 LEU 96 HD13 LEU 96 -2.617 4.106 8.736 755 HD21 LEU 96 HD21 LEU 96 -0.437 6.063 7.718 756 HD22 LEU 96 HD22 LEU 96 0.009 5.180 6.261 757 HD23 LEU 96 HD23 LEU 96 -0.224 4.310 7.779 758 H THR 97 H THR 97 -0.619 1.528 3.622 759 HA THR 97 HA THR 97 -3.081 0.328 2.502 760 HB THR 97 HB THR 97 -0.296 0.254 1.236 761 HG1 THR 97 HG1 THR 97 -2.404 2.049 1.031 762 HG21 THR 97 HG21 THR 97 -2.983 -0.600 0.080 763 HG22 THR 97 HG22 THR 97 -1.701 -1.700 0.596 764 HG23 THR 97 HG23 THR 97 -1.435 -0.611 -0.767 765 H GLU 98 H GLU 98 -3.306 -1.858 2.702 766 HA GLU 98 HA GLU 98 -1.145 -3.491 3.914 767 HB2 GLU 98 HB2 GLU 98 -2.856 -3.049 5.625 768 HB3 GLU 98 HB3 GLU 98 -4.137 -3.552 4.530 769 HG2 GLU 98 HG2 GLU 98 -3.191 -5.874 4.559 770 HG3 GLU 98 HG3 GLU 98 -1.996 -5.336 5.736 771 H LEU 99 H LEU 99 -0.546 -4.922 2.430 772 HA LEU 99 HA LEU 99 -2.420 -5.968 0.397 773 HB2 LEU 99 HB2 LEU 99 0.608 -6.322 0.648 774 HB3 LEU 99 HB3 LEU 99 -0.383 -6.810 -0.715 775 HG LEU 99 HG LEU 99 0.263 -3.955 0.113 776 HD11 LEU 99 HD11 LEU 99 2.143 -5.125 -0.927 777 HD12 LEU 99 HD12 LEU 99 1.519 -3.878 -2.002 778 HD13 LEU 99 HD13 LEU 99 1.134 -5.575 -2.305 779 HD21 LEU 99 HD21 LEU 99 -0.902 -3.248 -1.940 780 HD22 LEU 99 HD22 LEU 99 -1.997 -4.012 -0.792 781 HD23 LEU 99 HD23 LEU 99 -1.441 -4.908 -2.207 782 H LEU 100 H LEU 100 -3.322 -7.944 0.872 783 HA LEU 100 HA LEU 100 -1.874 -9.800 2.682 784 HB2 LEU 100 HB2 LEU 100 -3.744 -8.457 3.814 785 HB3 LEU 100 HB3 LEU 100 -4.886 -9.307 2.796 786 HG LEU 100 HG LEU 100 -4.671 -10.170 5.179 787 HD11 LEU 100 HD11 LEU 100 -4.056 -12.258 3.069 788 HD12 LEU 100 HD12 LEU 100 -5.649 -11.594 3.432 789 HD13 LEU 100 HD13 LEU 100 -4.796 -12.531 4.653 790 HD21 LEU 100 HD21 LEU 100 -2.240 -9.917 5.421 791 HD22 LEU 100 HD22 LEU 100 -1.977 -11.212 4.252 792 HD23 LEU 100 HD23 LEU 100 -2.759 -11.559 5.797 793 H LEU 101 H LEU 101 -1.440 -11.572 1.511 794 HA LEU 101 HA LEU 101 -3.080 -12.316 -0.799 795 HB2 LEU 101 HB2 LEU 101 -0.641 -12.105 -1.221 796 HB3 LEU 101 HB3 LEU 101 -0.302 -13.217 0.099 797 HG LEU 101 HG LEU 101 -1.693 -14.957 -1.261 798 HD11 LEU 101 HD11 LEU 101 -2.712 -13.455 -2.857 799 HD12 LEU 101 HD12 LEU 101 -1.731 -14.662 -3.679 800 HD13 LEU 101 HD13 LEU 101 -1.127 -13.013 -3.503 801 HD21 LEU 101 HD21 LEU 101 1.016 -14.091 -2.267 802 HD22 LEU 101 HD22 LEU 101 0.267 -15.658 -2.561 803 HD23 LEU 101 HD23 LEU 101 0.695 -15.178 -0.921 804 H GLU 102 H GLU 102 -4.389 -14.041 -0.581 805 HA GLU 102 HA GLU 102 -4.924 -15.256 1.905 806 HB2 GLU 102 HB2 GLU 102 -5.774 -16.139 -0.878 807 HB3 GLU 102 HB3 GLU 102 -6.534 -16.642 0.625 808 HG2 GLU 102 HG2 GLU 102 -6.460 -13.788 -0.404 809 HG3 GLU 102 HG3 GLU 102 -7.804 -14.902 -0.630 810 HA PRO 103 HA PRO 103 -1.977 -18.592 2.161 811 HB2 PRO 103 HB2 PRO 103 -4.167 -20.289 3.325 812 HB3 PRO 103 HB3 PRO 103 -2.589 -19.846 4.014 813 HG2 PRO 103 HG2 PRO 103 -4.800 -18.702 4.934 814 HG3 PRO 103 HG3 PRO 103 -3.316 -17.744 4.709 815 HD2 PRO 103 HD2 PRO 103 -5.757 -17.879 2.937 816 HD3 PRO 103 HD3 PRO 103 -4.813 -16.461 3.456 817 H GLY 104 H GLY 104 -5.145 -19.497 0.851 818 HA2 GLY 104 HA2 GLY 104 -3.876 -21.590 -0.849 819 HA3 GLY 104 HA3 GLY 104 -5.519 -21.687 -0.232 820 H ASN 105 H ASN 105 -6.317 -19.028 -0.746 821 HA ASN 105 HA ASN 105 -7.149 -19.287 -3.485 822 HB2 ASN 105 HB2 ASN 105 -8.733 -18.457 -1.835 823 HB3 ASN 105 HB3 ASN 105 -7.643 -17.169 -1.349 824 HD21 ASN 105 HD21 ASN 105 -9.082 -15.514 -1.745 825 HD22 ASN 105 HD22 ASN 105 -9.607 -15.076 -3.331 826 H SER 106 H SER 106 -6.625 -18.009 -5.255 827 HA SER 106 HA SER 106 -3.973 -16.782 -5.227 828 HB2 SER 106 HB2 SER 106 -5.844 -17.433 -7.544 829 HB3 SER 106 HB3 SER 106 -4.162 -16.916 -7.692 830 HG SER 106 HG SER 106 -5.131 -19.297 -6.497 831 H GLU 107 H GLU 107 -5.451 -15.118 -3.819 832 HA GLU 107 HA GLU 107 -5.752 -12.739 -5.486 833 HB2 GLU 107 HB2 GLU 107 -7.997 -13.776 -3.699 834 HB3 GLU 107 HB3 GLU 107 -7.906 -12.113 -4.263 835 HG2 GLU 107 HG2 GLU 107 -8.052 -12.885 -6.597 836 HG3 GLU 107 HG3 GLU 107 -8.136 -14.553 -6.045 837 H MET 108 H MET 108 -5.784 -10.811 -4.249 838 HA MET 108 HA MET 108 -4.576 -10.929 -1.563 839 HB2 MET 108 HB2 MET 108 -2.794 -10.361 -3.157 840 HB3 MET 108 HB3 MET 108 -3.800 -9.144 -3.932 841 HG2 MET 108 HG2 MET 108 -3.754 -7.811 -1.830 842 HG3 MET 108 HG3 MET 108 -2.683 -9.015 -1.111 843 HE1 MET 108 HE1 MET 108 -0.608 -9.804 -3.248 844 HE2 MET 108 HE2 MET 108 -0.180 -9.263 -1.623 845 HE3 MET 108 HE3 MET 108 0.624 -8.562 -3.025 846 H GLN 109 H GLN 109 -5.444 -9.441 -0.150 847 HA GLN 109 HA GLN 109 -7.669 -7.738 -1.021 848 HB2 GLN 109 HB2 GLN 109 -6.861 -8.706 1.773 849 HB3 GLN 109 HB3 GLN 109 -8.264 -7.700 1.411 850 HG2 GLN 109 HG2 GLN 109 -9.169 -9.548 -0.007 851 HG3 GLN 109 HG3 GLN 109 -7.800 -10.544 0.488 852 HE21 GLN 109 HE21 GLN 109 -7.744 -11.379 2.590 853 HE22 GLN 109 HE22 GLN 109 -9.124 -11.362 3.633 854 H ILE 110 H ILE 110 -7.260 -5.629 -1.141 855 HA ILE 110 HA ILE 110 -4.782 -4.497 0.036 856 HB ILE 110 HB ILE 110 -6.359 -3.497 -2.410 857 HG12 ILE 110 HG12 ILE 110 -4.083 -4.009 -3.622 858 HG13 ILE 110 HG13 ILE 110 -3.716 -5.016 -2.231 859 HG21 ILE 110 HG21 ILE 110 -4.535 -1.846 -2.696 860 HG22 ILE 110 HG22 ILE 110 -3.788 -2.409 -1.200 861 HG23 ILE 110 HG23 ILE 110 -5.371 -1.632 -1.155 862 HD11 ILE 110 HD11 ILE 110 -4.544 -6.317 -4.115 863 HD12 ILE 110 HD12 ILE 110 -6.048 -5.397 -4.111 864 HD13 ILE 110 HD13 ILE 110 -5.641 -6.428 -2.738 865 H SER 111 H SER 111 -5.272 -3.359 1.836 866 HA SER 111 HA SER 111 -7.929 -2.090 2.164 867 HB2 SER 111 HB2 SER 111 -5.832 -2.812 4.274 868 HB3 SER 111 HB3 SER 111 -7.439 -2.155 4.593 869 HG SER 111 HG SER 111 -6.739 -4.682 4.333 870 H VAL 112 H VAL 112 -7.816 -0.041 1.491 871 HA VAL 112 HA VAL 112 -5.398 1.606 1.945 872 HB VAL 112 HB VAL 112 -7.703 2.091 -0.018 873 HG11 VAL 112 HG11 VAL 112 -6.697 4.200 0.738 874 HG12 VAL 112 HG12 VAL 112 -6.290 3.895 -0.948 875 HG13 VAL 112 HG13 VAL 112 -5.085 3.616 0.312 876 HG21 VAL 112 HG21 VAL 112 -6.344 0.167 -0.719 877 HG22 VAL 112 HG22 VAL 112 -4.874 1.137 -0.605 878 HG23 VAL 112 HG23 VAL 112 -6.104 1.533 -1.810 879 H LYS 113 H LYS 113 -5.529 3.201 3.331 880 HA LYS 113 HA LYS 113 -7.996 4.695 3.803 881 HB2 LYS 113 HB2 LYS 113 -7.625 4.724 6.274 882 HB3 LYS 113 HB3 LYS 113 -7.994 3.109 5.688 883 HG2 LYS 113 HG2 LYS 113 -5.595 2.530 5.785 884 HG3 LYS 113 HG3 LYS 113 -5.242 4.153 6.381 885 HD2 LYS 113 HD2 LYS 113 -5.271 2.596 8.247 886 HD3 LYS 113 HD3 LYS 113 -6.634 3.702 8.396 887 HE2 LYS 113 HE2 LYS 113 -8.164 1.985 7.588 888 HE3 LYS 113 HE3 LYS 113 -6.817 0.883 7.279 889 HZ1 LYS 113 HZ1 LYS 113 -7.983 0.412 9.374 890 HZ2 LYS 113 HZ2 LYS 113 -7.558 1.941 9.967 891 HZ3 LYS 113 HZ3 LYS 113 -6.357 0.796 9.631 892 H GLN 114 H GLN 114 -7.472 6.860 4.672 893 HA GLN 114 HA GLN 114 -4.680 7.692 4.540 894 HB2 GLN 114 HB2 GLN 114 -5.100 9.408 2.810 895 HB3 GLN 114 HB3 GLN 114 -5.283 7.785 2.188 896 HG2 GLN 114 HG2 GLN 114 -7.804 9.092 3.094 897 HG3 GLN 114 HG3 GLN 114 -7.027 9.824 1.697 898 HE21 GLN 114 HE21 GLN 114 -8.802 9.230 0.401 899 HE22 GLN 114 HE22 GLN 114 -9.058 7.611 -0.122 900 H ASN 115 H ASN 115 -4.376 9.955 5.204 901 HA ASN 115 HA ASN 115 -5.714 10.264 7.683 902 HB2 ASN 115 HB2 ASN 115 -4.190 12.020 8.202 903 HB3 ASN 115 HB3 ASN 115 -3.295 10.841 7.261 904 HD21 ASN 115 HD21 ASN 115 -4.129 11.686 4.645 905 HD22 ASN 115 HD22 ASN 115 -3.451 13.251 4.368 906 H GLU 116 H GLU 116 -5.924 12.121 4.687 907 HA GLU 116 HA GLU 116 -8.600 13.069 5.457 908 HB2 GLU 116 HB2 GLU 116 -6.442 14.863 4.224 909 HB3 GLU 116 HB3 GLU 116 -8.142 15.295 4.361 910 HG2 GLU 116 HG2 GLU 116 -7.940 15.164 6.847 911 HG3 GLU 116 HG3 GLU 116 -6.221 14.828 6.655 912 H ALA 117 H ALA 117 -9.884 12.165 3.922 913 HA ALA 117 HA ALA 117 -8.744 11.001 1.543 914 HB1 ALA 117 HB1 ALA 117 -10.443 9.796 2.833 915 HB2 ALA 117 HB2 ALA 117 -11.023 10.093 1.195 916 HB3 ALA 117 HB3 ALA 117 -11.615 11.079 2.535 917 H ARG 118 H ARG 118 -8.367 12.212 -0.237 918 HA ARG 118 HA ARG 118 -10.486 14.075 -1.180 919 HB2 ARG 118 HB2 ARG 118 -8.299 15.147 -0.967 920 HB3 ARG 118 HB3 ARG 118 -7.513 13.848 -1.850 921 HG2 ARG 118 HG2 ARG 118 -8.633 14.550 -3.916 922 HG3 ARG 118 HG3 ARG 118 -9.493 15.821 -3.042 923 HD2 ARG 118 HD2 ARG 118 -7.444 17.008 -2.591 924 HD3 ARG 118 HD3 ARG 118 -6.459 15.659 -3.163 925 HE ARG 118 HE ARG 118 -8.259 17.104 -5.007 926 HH11 ARG 118 HH11 ARG 118 -4.969 16.055 -4.220 927 HH12 ARG 118 HH12 ARG 118 -4.320 16.585 -5.742 928 HH21 ARG 118 HH21 ARG 118 -7.363 17.810 -6.960 929 HH22 ARG 118 HH22 ARG 118 -5.673 17.568 -7.276 930 H THR 119 H THR 119 -11.513 13.527 -3.094 931 HA THR 119 HA THR 119 -11.700 10.838 -3.835 932 HB THR 119 HB THR 119 -12.528 13.220 -5.556 933 HG1 THR 119 HG1 THR 119 -13.806 13.610 -3.913 934 HG21 THR 119 HG21 THR 119 -13.663 10.391 -5.425 935 HG22 THR 119 HG22 THR 119 -12.659 11.024 -6.731 936 HG23 THR 119 HG23 THR 119 -14.260 11.702 -6.445 937 H GLU 120 H GLU 120 -10.010 13.554 -5.403 938 HA GLU 120 HA GLU 120 -9.059 12.280 -7.692 939 HB2 GLU 120 HB2 GLU 120 -8.979 14.725 -7.412 940 HB3 GLU 120 HB3 GLU 120 -7.824 14.568 -6.094 941 HG2 GLU 120 HG2 GLU 120 -6.719 15.301 -8.148 942 HG3 GLU 120 HG3 GLU 120 -6.124 13.721 -7.656 943 H THR 121 H THR 121 -7.531 12.653 -4.477 944 HA THR 121 HA THR 121 -5.046 11.493 -5.167 945 HB THR 121 HB THR 121 -4.669 11.337 -2.691 946 HG1 THR 121 HG1 THR 121 -6.275 11.585 -1.312 947 HG21 THR 121 HG21 THR 121 -4.763 13.769 -2.239 948 HG22 THR 121 HG22 THR 121 -5.804 13.988 -3.643 949 HG23 THR 121 HG23 THR 121 -4.139 13.443 -3.856 950 H LEU 122 H LEU 122 -7.953 10.141 -3.584 951 HA LEU 122 HA LEU 122 -6.948 7.591 -3.018 952 HB2 LEU 122 HB2 LEU 122 -9.014 8.467 -1.999 953 HB3 LEU 122 HB3 LEU 122 -9.814 8.473 -3.564 954 HG LEU 122 HG LEU 122 -9.725 5.995 -3.638 955 HD11 LEU 122 HD11 LEU 122 -8.467 6.131 -0.883 956 HD12 LEU 122 HD12 LEU 122 -7.693 5.571 -2.368 957 HD13 LEU 122 HD13 LEU 122 -9.043 4.669 -1.691 958 HD21 LEU 122 HD21 LEU 122 -11.708 7.057 -2.682 959 HD22 LEU 122 HD22 LEU 122 -10.973 7.041 -1.077 960 HD23 LEU 122 HD23 LEU 122 -11.374 5.522 -1.883 961 H ASN 123 H ASN 123 -8.808 8.754 -5.867 962 HA ASN 123 HA ASN 123 -9.047 6.270 -7.185 963 HB2 ASN 123 HB2 ASN 123 -9.077 9.095 -8.339 964 HB3 ASN 123 HB3 ASN 123 -9.539 7.653 -9.244 965 HD21 ASN 123 HD21 ASN 123 -11.131 9.983 -8.629 966 HD22 ASN 123 HD22 ASN 123 -12.506 9.433 -7.740 967 H SER 124 H SER 124 -6.642 8.860 -7.484 968 HA SER 124 HA SER 124 -5.164 7.643 -9.603 969 HB2 SER 124 HB2 SER 124 -3.469 9.410 -9.085 970 HB3 SER 124 HB3 SER 124 -5.092 10.055 -9.299 971 HG SER 124 HG SER 124 -5.007 10.800 -7.351 972 H PHE 125 H PHE 125 -4.985 7.520 -6.076 973 HA PHE 125 HA PHE 125 -2.471 6.223 -5.820 974 HB2 PHE 125 HB2 PHE 125 -3.624 7.360 -3.920 975 HB3 PHE 125 HB3 PHE 125 -4.858 6.106 -3.918 976 HD1 PHE 125 HD2 PHE 125 -1.119 6.448 -3.749 977 HD2 PHE 125 HD1 PHE 125 -4.573 4.328 -2.377 978 HE1 PHE 125 HE2 PHE 125 0.293 5.102 -2.260 979 HE2 PHE 125 HE1 PHE 125 -3.143 2.981 -0.891 980 HZ PHE 125 HZ PHE 125 -0.711 3.372 -0.831 981 H ILE 126 H ILE 126 -5.801 4.997 -5.992 982 HA ILE 126 HA ILE 126 -5.321 2.223 -5.868 983 HB ILE 126 HB ILE 126 -7.541 3.762 -7.316 984 HG12 ILE 126 HG12 ILE 126 -7.679 2.324 -4.621 985 HG13 ILE 126 HG13 ILE 126 -7.380 4.049 -4.788 986 HG21 ILE 126 HG21 ILE 126 -8.853 1.649 -7.302 987 HG22 ILE 126 HG22 ILE 126 -7.444 0.787 -6.684 988 HG23 ILE 126 HG23 ILE 126 -7.393 1.517 -8.288 989 HD11 ILE 126 HD11 ILE 126 -9.571 4.317 -5.854 990 HD12 ILE 126 HD12 ILE 126 -9.682 3.631 -4.234 991 HD13 ILE 126 HD13 ILE 126 -9.877 2.590 -5.643 992 H SER 127 H SER 127 -5.385 4.532 -8.584 993 HA SER 127 HA SER 127 -4.948 2.689 -10.682 994 HB2 SER 127 HB2 SER 127 -4.330 5.672 -10.571 995 HB3 SER 127 HB3 SER 127 -4.375 4.694 -12.038 996 HG SER 127 HG SER 127 -6.623 4.704 -10.349 997 H VAL 128 H VAL 128 -2.658 4.394 -8.524 998 HA VAL 128 HA VAL 128 -0.246 3.638 -9.817 999 HB VAL 128 HB VAL 128 -0.748 4.130 -6.829 1000 HG11 VAL 128 HG11 VAL 128 1.924 3.952 -8.283 1001 HG12 VAL 128 HG12 VAL 128 1.305 2.806 -7.090 1002 HG13 VAL 128 HG13 VAL 128 1.703 4.454 -6.607 1003 HG21 VAL 128 HG21 VAL 128 0.378 5.987 -8.954 1004 HG22 VAL 128 HG22 VAL 128 0.246 6.360 -7.233 1005 HG23 VAL 128 HG23 VAL 128 -1.208 6.108 -8.195 1006 H LEU 129 H LEU 129 -1.993 2.138 -7.069 1007 HA LEU 129 HA LEU 129 -0.524 -0.201 -6.783 1008 HB2 LEU 129 HB2 LEU 129 -3.507 0.178 -6.305 1009 HB3 LEU 129 HB3 LEU 129 -2.540 -1.133 -5.649 1010 HG LEU 129 HG LEU 129 -2.207 1.816 -4.953 1011 HD11 LEU 129 HD11 LEU 129 -3.119 1.215 -2.751 1012 HD12 LEU 129 HD12 LEU 129 -3.406 -0.434 -3.315 1013 HD13 LEU 129 HD13 LEU 129 -4.279 0.915 -4.044 1014 HD21 LEU 129 HD21 LEU 129 -0.672 1.053 -3.175 1015 HD22 LEU 129 HD22 LEU 129 -0.058 0.661 -4.779 1016 HD23 LEU 129 HD23 LEU 129 -0.783 -0.602 -3.783 1017 H GLU 130 H GLU 130 -3.130 0.529 -9.059 1018 HA GLU 130 HA GLU 130 -3.562 -2.080 -10.086 1019 HB2 GLU 130 HB2 GLU 130 -4.104 0.709 -11.170 1020 HB3 GLU 130 HB3 GLU 130 -4.546 -0.734 -12.070 1021 HG2 GLU 130 HG2 GLU 130 -5.521 -0.155 -9.269 1022 HG3 GLU 130 HG3 GLU 130 -6.396 0.323 -10.720 1023 H THR 131 H THR 131 -1.555 0.654 -11.173 1024 HA THR 131 HA THR 131 -0.508 -0.529 -13.497 1025 HB THR 131 HB THR 131 0.790 1.636 -11.769 1026 HG1 THR 131 HG1 THR 131 -1.497 1.767 -12.955 1027 HG21 THR 131 HG21 THR 131 1.879 2.355 -13.878 1028 HG22 THR 131 HG22 THR 131 1.180 0.972 -14.721 1029 HG23 THR 131 HG23 THR 131 2.370 0.717 -13.441 1030 H VAL 132 H VAL 132 0.767 -0.367 -10.158 1031 HA VAL 132 HA VAL 132 3.286 -1.559 -10.716 1032 HB VAL 132 HB VAL 132 1.820 -1.241 -8.043 1033 HG11 VAL 132 HG11 VAL 132 4.028 -1.611 -6.962 1034 HG12 VAL 132 HG12 VAL 132 4.727 -2.008 -8.531 1035 HG13 VAL 132 HG13 VAL 132 3.478 -3.041 -7.839 1036 HG21 VAL 132 HG21 VAL 132 4.042 0.425 -9.297 1037 HG22 VAL 132 HG22 VAL 132 3.331 0.690 -7.702 1038 HG23 VAL 132 HG23 VAL 132 2.348 0.900 -9.151 1039 H ILE 133 H ILE 133 0.335 -2.893 -9.137 1040 HA ILE 133 HA ILE 133 1.359 -5.529 -8.795 1041 HB ILE 133 HB ILE 133 -1.491 -4.422 -8.743 1042 HG12 ILE 133 HG12 ILE 133 0.377 -5.338 -6.497 1043 HG13 ILE 133 HG13 ILE 133 -0.027 -3.672 -6.888 1044 HG21 ILE 133 HG21 ILE 133 -2.265 -6.560 -7.762 1045 HG22 ILE 133 HG22 ILE 133 -0.683 -7.271 -8.077 1046 HG23 ILE 133 HG23 ILE 133 -1.698 -6.759 -9.424 1047 HD11 ILE 133 HD11 ILE 133 -1.930 -5.749 -5.813 1048 HD12 ILE 133 HD12 ILE 133 -2.346 -4.083 -6.230 1049 HD13 ILE 133 HD13 ILE 133 -1.209 -4.406 -4.922 1050 H GLY 134 H GLY 134 -0.783 -4.040 -11.212 1051 HA2 GLY 134 HA2 GLY 134 -1.466 -6.273 -12.743 1052 HA3 GLY 134 HA3 GLY 134 -1.467 -4.611 -13.303 1053 H THR 135 H THR 135 1.211 -3.939 -13.276 1054 HA THR 135 HA THR 135 2.050 -5.088 -15.755 1055 HB THR 135 HB THR 135 2.491 -2.673 -15.032 1056 HG1 THR 135 HG1 THR 135 3.484 -3.473 -16.884 1057 HG21 THR 135 HG21 THR 135 4.550 -2.169 -13.816 1058 HG22 THR 135 HG22 THR 135 4.901 -3.886 -13.622 1059 HG23 THR 135 HG23 THR 135 3.514 -3.174 -12.798 1060 H ILE 136 H ILE 136 2.665 -5.919 -12.492 1061 HA ILE 136 HA ILE 136 5.115 -7.431 -13.025 1062 HB ILE 136 HB ILE 136 3.501 -6.882 -10.482 1063 HG12 ILE 136 HG12 ILE 136 6.349 -6.084 -11.253 1064 HG13 ILE 136 HG13 ILE 136 4.941 -5.046 -11.434 1065 HG21 ILE 136 HG21 ILE 136 4.380 -9.168 -10.268 1066 HG22 ILE 136 HG22 ILE 136 5.229 -8.071 -9.180 1067 HG23 ILE 136 HG23 ILE 136 6.003 -8.601 -10.674 1068 HD11 ILE 136 HD11 ILE 136 4.618 -5.080 -9.011 1069 HD12 ILE 136 HD12 ILE 136 6.190 -4.442 -9.482 1070 HD13 ILE 136 HD13 ILE 136 6.064 -6.078 -8.839 1071 H GLU 137 H GLU 137 1.664 -7.871 -12.606 1072 HA GLU 137 HA GLU 137 1.951 -10.768 -12.163 1073 HB2 GLU 137 HB2 GLU 137 -0.232 -8.764 -11.536 1074 HB3 GLU 137 HB3 GLU 137 -0.641 -10.468 -11.687 1075 HG2 GLU 137 HG2 GLU 137 1.341 -9.264 -9.747 1076 HG3 GLU 137 HG3 GLU 137 -0.248 -9.944 -9.372 1077 H GLU 138 H GLU 138 1.318 -8.689 -14.752 1078 HA GLU 138 HA GLU 138 0.690 -9.035 -16.907 1079 HB2 GLU 138 HB2 GLU 138 2.338 -10.923 -16.592 1080 HB3 GLU 138 HB3 GLU 138 1.011 -12.003 -16.197 1081 HG2 GLU 138 HG2 GLU 138 0.128 -11.714 -18.503 1082 HG3 GLU 138 HG3 GLU 138 1.486 -10.657 -18.886 1083 H ILE 139 H ILE 139 -1.344 -8.673 -14.935 1084 HA ILE 139 HA ILE 139 -3.457 -10.563 -14.971 1085 HB ILE 139 HB ILE 139 -3.645 -7.577 -14.281 1086 HG12 ILE 139 HG12 ILE 139 -3.124 -9.981 -12.463 1087 HG13 ILE 139 HG13 ILE 139 -1.953 -8.744 -12.894 1088 HG21 ILE 139 HG21 ILE 139 -5.866 -8.566 -14.683 1089 HG22 ILE 139 HG22 ILE 139 -5.658 -8.189 -12.974 1090 HG23 ILE 139 HG23 ILE 139 -5.519 -9.858 -13.532 1091 HD11 ILE 139 HD11 ILE 139 -3.278 -7.071 -11.689 1092 HD12 ILE 139 HD12 ILE 139 -2.773 -8.404 -10.655 1093 HD13 ILE 139 HD13 ILE 139 -4.437 -8.324 -11.232 1094 H LYS 140 H LYS 140 -4.641 -11.092 -16.689 1095 HA LYS 140 HA LYS 140 -5.798 -9.144 -18.514 1096 HB2 LYS 140 HB2 LYS 140 -3.559 -9.527 -19.492 1097 HB3 LYS 140 HB3 LYS 140 -3.821 -11.265 -19.474 1098 HG2 LYS 140 HG2 LYS 140 -5.733 -10.934 -21.088 1099 HG3 LYS 140 HG3 LYS 140 -5.293 -9.225 -21.174 1100 HD2 LYS 140 HD2 LYS 140 -4.332 -10.421 -23.081 1101 HD3 LYS 140 HD3 LYS 140 -3.035 -9.865 -22.023 1102 HE2 LYS 140 HE2 LYS 140 -2.930 -12.158 -21.027 1103 HE3 LYS 140 HE3 LYS 140 -4.150 -12.687 -22.188 1104 HZ1 LYS 140 HZ1 LYS 140 -1.966 -13.254 -22.979 1105 HZ2 LYS 140 HZ2 LYS 140 -1.432 -11.659 -22.829 1106 HZ3 LYS 140 HZ3 LYS 140 -2.606 -12.050 -23.979 1107 H SER 141 H SER 141 -7.722 -9.856 -19.247 1108 HA SER 141 HA SER 141 -8.459 -12.719 -18.982 1109 HB2 SER 141 HB2 SER 141 -10.277 -10.274 -18.683 1110 HB3 SER 141 HB3 SER 141 -10.786 -11.959 -18.561 1111 HG SER 141 HG SER 141 -9.104 -12.035 -16.799 Start of MODEL 7 1 H1 MET 1 H1 MET 1 -26.276 54.712 -32.807 2 H2 MET 1 H2 MET 1 -27.135 53.918 -31.593 3 H3 MET 1 H3 MET 1 -27.958 54.849 -32.733 4 HA MET 1 HA MET 1 -28.233 52.521 -33.232 5 HB2 MET 1 HB2 MET 1 -26.301 53.823 -35.211 6 HB3 MET 1 HB3 MET 1 -27.433 52.529 -35.577 7 HG2 MET 1 HG2 MET 1 -29.312 54.065 -35.158 8 HG3 MET 1 HG3 MET 1 -28.169 55.353 -34.786 9 HE1 MET 1 HE1 MET 1 -25.883 54.680 -37.036 10 HE2 MET 1 HE2 MET 1 -26.405 56.315 -36.621 11 HE3 MET 1 HE3 MET 1 -26.392 55.792 -38.305 12 H GLY 2 H GLY 2 -27.300 50.976 -31.922 13 HA2 GLY 2 HA2 GLY 2 -25.828 49.361 -31.244 14 HA3 GLY 2 HA3 GLY 2 -24.820 49.756 -32.626 15 H HIS 3 H HIS 3 -23.696 49.076 -30.204 16 HA HIS 3 HA HIS 3 -22.233 51.519 -29.458 17 HB2 HIS 3 HB2 HIS 3 -23.579 49.682 -27.401 18 HB3 HIS 3 HB3 HIS 3 -22.395 50.925 -27.004 19 HD1 HIS 3 HD1 HIS 3 -25.983 50.419 -27.764 20 HD2 HIS 3 HD2 HIS 3 -23.359 53.614 -27.317 21 HE1 HIS 3 HE1 HIS 3 -27.428 52.467 -27.611 22 HE2 HIS 3 HE2 HIS 3 -25.814 54.390 -27.490 23 H HIS 4 H HIS 4 -22.567 48.028 -29.511 24 HA HIS 4 HA HIS 4 -21.214 46.254 -29.273 25 HB2 HIS 4 HB2 HIS 4 -19.000 48.235 -29.995 26 HB3 HIS 4 HB3 HIS 4 -18.741 46.502 -29.820 27 HD1 HIS 4 HD1 HIS 4 -19.907 49.049 -32.192 28 HD2 HIS 4 HD2 HIS 4 -20.019 44.912 -31.856 29 HE1 HIS 4 HE1 HIS 4 -20.494 48.203 -34.476 30 HE2 HIS 4 HE2 HIS 4 -20.321 45.708 -34.295 31 H HIS 5 H HIS 5 -21.477 45.689 -27.161 32 HA HIS 5 HA HIS 5 -20.158 46.972 -24.955 33 HB2 HIS 5 HB2 HIS 5 -22.280 45.615 -24.733 34 HB3 HIS 5 HB3 HIS 5 -21.355 44.161 -25.089 35 HD1 HIS 5 HD1 HIS 5 -22.224 46.485 -22.350 36 HD2 HIS 5 HD2 HIS 5 -19.552 43.365 -22.968 37 HE1 HIS 5 HE1 HIS 5 -21.418 45.818 -20.069 38 HE2 HIS 5 HE2 HIS 5 -19.668 44.079 -20.494 39 H HIS 6 H HIS 6 -17.980 47.104 -25.445 40 HA HIS 6 HA HIS 6 -16.473 44.981 -26.581 41 HB2 HIS 6 HB2 HIS 6 -14.447 46.457 -26.080 42 HB3 HIS 6 HB3 HIS 6 -15.677 47.137 -27.124 43 HD1 HIS 6 HD1 HIS 6 -15.943 49.552 -26.698 44 HD2 HIS 6 HD2 HIS 6 -14.992 47.523 -23.197 45 HE1 HIS 6 HE1 HIS 6 -15.769 51.309 -24.912 46 HE2 HIS 6 HE2 HIS 6 -15.080 50.065 -22.847 47 H HIS 7 H HIS 7 -16.662 43.167 -25.364 48 HA HIS 7 HA HIS 7 -14.668 42.700 -23.395 49 HB2 HIS 7 HB2 HIS 7 -16.376 43.748 -21.885 50 HB3 HIS 7 HB3 HIS 7 -17.563 42.546 -22.382 51 HD1 HIS 7 HD1 HIS 7 -17.228 40.115 -21.480 52 HD2 HIS 7 HD2 HIS 7 -14.508 42.878 -19.988 53 HE1 HIS 7 HE1 HIS 7 -16.094 38.969 -19.559 54 HE2 HIS 7 HE2 HIS 7 -14.373 40.615 -18.752 55 H HIS 8 H HIS 8 -13.997 40.751 -24.077 56 HA HIS 8 HA HIS 8 -15.945 38.641 -24.843 57 HB2 HIS 8 HB2 HIS 8 -12.957 38.906 -25.454 58 HB3 HIS 8 HB3 HIS 8 -13.933 37.506 -25.882 59 HD1 HIS 8 HD1 HIS 8 -15.103 37.595 -28.092 60 HD2 HIS 8 HD2 HIS 8 -13.724 41.333 -26.902 61 HE1 HIS 8 HE1 HIS 8 -15.456 39.102 -30.061 62 HE2 HIS 8 HE2 HIS 8 -14.732 41.376 -29.283 63 H SER 9 H SER 9 -16.085 36.855 -23.532 64 HA SER 9 HA SER 9 -15.165 36.964 -20.879 65 HB2 SER 9 HB2 SER 9 -16.119 34.626 -20.726 66 HB3 SER 9 HB3 SER 9 -17.225 35.807 -21.420 67 HG SER 9 HG SER 9 -15.649 34.500 -23.273 68 H HIS 10 H HIS 10 -13.015 37.026 -20.589 69 HA HIS 10 HA HIS 10 -11.345 34.733 -21.466 70 HB2 HIS 10 HB2 HIS 10 -10.562 37.663 -21.154 71 HB3 HIS 10 HB3 HIS 10 -9.401 36.358 -21.367 72 HD1 HIS 10 HD1 HIS 10 -10.600 38.916 -23.287 73 HD2 HIS 10 HD2 HIS 10 -10.478 34.812 -23.931 74 HE1 HIS 10 HE1 HIS 10 -10.672 38.617 -25.776 75 HE2 HIS 10 HE2 HIS 10 -10.397 36.150 -26.134 76 H MET 11 H MET 11 -11.260 33.490 -19.687 77 HA MET 11 HA MET 11 -9.691 34.444 -17.448 78 HB2 MET 11 HB2 MET 11 -11.241 33.551 -15.709 79 HB3 MET 11 HB3 MET 11 -11.961 34.889 -16.590 80 HG2 MET 11 HG2 MET 11 -13.273 33.271 -17.928 81 HG3 MET 11 HG3 MET 11 -12.586 31.953 -16.985 82 HE1 MET 11 HE1 MET 11 -14.148 32.618 -13.430 83 HE2 MET 11 HE2 MET 11 -12.567 33.158 -13.999 84 HE3 MET 11 HE3 MET 11 -13.141 31.538 -14.393 85 H GLN 12 H GLN 12 -8.377 32.838 -16.680 86 HA GLN 12 HA GLN 12 -8.554 30.183 -17.988 87 HB2 GLN 12 HB2 GLN 12 -6.602 31.544 -18.696 88 HB3 GLN 12 HB3 GLN 12 -6.079 31.687 -17.021 89 HG2 GLN 12 HG2 GLN 12 -5.791 29.203 -16.934 90 HG3 GLN 12 HG3 GLN 12 -6.241 29.122 -18.642 91 HE21 GLN 12 HE21 GLN 12 -4.774 29.909 -20.202 92 HE22 GLN 12 HE22 GLN 12 -3.112 30.202 -19.833 93 H GLU 13 H GLU 13 -9.352 28.783 -16.556 94 HA GLU 13 HA GLU 13 -8.617 28.776 -13.722 95 HB2 GLU 13 HB2 GLU 13 -10.949 28.243 -14.411 96 HB3 GLU 13 HB3 GLU 13 -10.369 26.887 -15.375 97 HG2 GLU 13 HG2 GLU 13 -9.528 25.811 -13.290 98 HG3 GLU 13 HG3 GLU 13 -10.202 27.145 -12.354 99 H LEU 14 H LEU 14 -6.949 27.532 -12.926 100 HA LEU 14 HA LEU 14 -5.747 25.440 -14.668 101 HB2 LEU 14 HB2 LEU 14 -4.358 26.994 -12.435 102 HB3 LEU 14 HB3 LEU 14 -3.640 25.736 -13.416 103 HG LEU 14 HG LEU 14 -4.067 27.317 -15.449 104 HD11 LEU 14 HD11 LEU 14 -4.112 29.725 -14.942 105 HD12 LEU 14 HD12 LEU 14 -4.303 29.361 -13.225 106 HD13 LEU 14 HD13 LEU 14 -5.567 28.908 -14.369 107 HD21 LEU 14 HD21 LEU 14 -1.936 28.499 -15.070 108 HD22 LEU 14 HD22 LEU 14 -1.835 26.803 -14.603 109 HD23 LEU 14 HD23 LEU 14 -1.990 28.049 -13.362 110 HA PRO 15 HA PRO 15 -7.060 22.544 -11.399 111 HB2 PRO 15 HB2 PRO 15 -5.051 20.688 -12.633 112 HB3 PRO 15 HB3 PRO 15 -6.800 20.465 -12.412 113 HG2 PRO 15 HG2 PRO 15 -5.786 20.901 -14.845 114 HG3 PRO 15 HG3 PRO 15 -7.342 21.630 -14.371 115 HD2 PRO 15 HD2 PRO 15 -4.603 22.907 -14.439 116 HD3 PRO 15 HD3 PRO 15 -6.157 23.544 -15.034 117 H ASP 16 H ASP 16 -6.182 23.549 -9.607 118 HA ASP 16 HA ASP 16 -3.521 23.915 -8.874 119 HB2 ASP 16 HB2 ASP 16 -5.323 25.063 -7.706 120 HB3 ASP 16 HB3 ASP 16 -6.016 23.543 -7.157 121 H SER 17 H SER 17 -5.728 21.337 -7.814 122 HA SER 17 HA SER 17 -3.444 19.556 -7.194 123 HB2 SER 17 HB2 SER 17 -6.342 19.447 -6.232 124 HB3 SER 17 HB3 SER 17 -5.047 18.349 -5.742 125 HG SER 17 HG SER 17 -4.804 21.147 -5.409 126 H GLY 18 H GLY 18 -4.695 17.090 -7.360 127 HA2 GLY 18 HA2 GLY 18 -6.094 15.806 -8.935 128 HA3 GLY 18 HA3 GLY 18 -5.537 16.876 -10.215 129 H ALA 19 H ALA 19 -2.869 17.042 -9.801 130 HA ALA 19 HA ALA 19 -1.965 14.454 -10.723 131 HB1 ALA 19 HB1 ALA 19 0.173 15.582 -11.186 132 HB2 ALA 19 HB2 ALA 19 -0.403 17.034 -10.370 133 HB3 ALA 19 HB3 ALA 19 -1.180 16.495 -11.858 134 H LEU 20 H LEU 20 -2.077 13.096 -8.994 135 HA LEU 20 HA LEU 20 -1.033 13.581 -6.385 136 HB2 LEU 20 HB2 LEU 20 -2.829 11.913 -6.911 137 HB3 LEU 20 HB3 LEU 20 -1.657 10.947 -7.780 138 HG LEU 20 HG LEU 20 -0.406 10.586 -5.626 139 HD11 LEU 20 HD11 LEU 20 -1.093 12.578 -4.429 140 HD12 LEU 20 HD12 LEU 20 -1.499 11.140 -3.498 141 HD13 LEU 20 HD13 LEU 20 -2.761 12.009 -4.375 142 HD21 LEU 20 HD21 LEU 20 -3.314 9.712 -5.552 143 HD22 LEU 20 HD22 LEU 20 -1.980 8.966 -4.665 144 HD23 LEU 20 HD23 LEU 20 -2.013 8.901 -6.426 145 H MET 21 H MET 21 1.173 14.138 -6.378 146 HA MET 21 HA MET 21 3.063 12.114 -7.441 147 HB2 MET 21 HB2 MET 21 3.483 14.450 -8.204 148 HB3 MET 21 HB3 MET 21 3.637 14.972 -6.532 149 HG2 MET 21 HG2 MET 21 5.624 13.566 -6.253 150 HG3 MET 21 HG3 MET 21 5.450 12.963 -7.900 151 HE1 MET 21 HE1 MET 21 6.677 17.286 -6.814 152 HE2 MET 21 HE2 MET 21 6.387 16.019 -5.627 153 HE3 MET 21 HE3 MET 21 5.037 16.703 -6.535 154 H LEU 22 H LEU 22 2.964 10.600 -5.872 155 HA LEU 22 HA LEU 22 3.133 11.088 -3.053 156 HB2 LEU 22 HB2 LEU 22 3.604 8.545 -4.670 157 HB3 LEU 22 HB3 LEU 22 3.383 8.607 -2.928 158 HG LEU 22 HG LEU 22 1.246 9.518 -4.887 159 HD11 LEU 22 HD11 LEU 22 0.130 7.381 -4.557 160 HD12 LEU 22 HD12 LEU 22 1.481 6.794 -3.586 161 HD13 LEU 22 HD13 LEU 22 1.713 7.154 -5.299 162 HD21 LEU 22 HD21 LEU 22 -0.257 9.272 -2.963 163 HD22 LEU 22 HD22 LEU 22 1.016 10.448 -2.652 164 HD23 LEU 22 HD23 LEU 22 1.113 8.834 -1.940 165 H VAL 23 H VAL 23 4.942 11.560 -1.958 166 HA VAL 23 HA VAL 23 7.562 10.552 -2.910 167 HB VAL 23 HB VAL 23 8.674 12.550 -2.058 168 HG11 VAL 23 HG11 VAL 23 7.873 14.250 -3.646 169 HG12 VAL 23 HG12 VAL 23 6.344 13.388 -3.836 170 HG13 VAL 23 HG13 VAL 23 7.853 12.647 -4.383 171 HG21 VAL 23 HG21 VAL 23 7.465 14.513 -1.168 172 HG22 VAL 23 HG22 VAL 23 7.234 13.094 -0.147 173 HG23 VAL 23 HG23 VAL 23 5.945 13.611 -1.236 174 HA PRO 24 HA PRO 24 7.713 8.776 1.268 175 HB2 PRO 24 HB2 PRO 24 10.632 8.409 0.905 176 HB3 PRO 24 HB3 PRO 24 9.357 7.178 0.976 177 HG2 PRO 24 HG2 PRO 24 10.700 7.709 -1.313 178 HG3 PRO 24 HG3 PRO 24 8.996 7.195 -1.313 179 HD2 PRO 24 HD2 PRO 24 10.124 9.989 -1.563 180 HD3 PRO 24 HD3 PRO 24 8.842 9.199 -2.518 181 H ASN 25 H ASN 25 7.309 10.597 2.507 182 HA ASN 25 HA ASN 25 9.100 12.857 2.592 183 HB2 ASN 25 HB2 ASN 25 6.622 13.081 2.519 184 HB3 ASN 25 HB3 ASN 25 6.509 12.318 4.097 185 HD21 ASN 25 HD21 ASN 25 7.414 15.213 2.376 186 HD22 ASN 25 HD22 ASN 25 7.488 16.235 3.765 187 H ARG 26 H ARG 26 7.544 11.325 5.436 188 HA ARG 26 HA ARG 26 10.159 11.141 6.809 189 HB2 ARG 26 HB2 ARG 26 7.347 11.528 7.800 190 HB3 ARG 26 HB3 ARG 26 8.382 10.522 8.800 191 HG2 ARG 26 HG2 ARG 26 8.371 12.850 9.573 192 HG3 ARG 26 HG3 ARG 26 9.981 12.352 9.057 193 HD2 ARG 26 HD2 ARG 26 9.587 13.513 6.873 194 HD3 ARG 26 HD3 ARG 26 8.032 14.078 7.497 195 HE ARG 26 HE ARG 26 10.345 14.746 9.111 196 HH11 ARG 26 HH11 ARG 26 8.217 15.835 6.520 197 HH12 ARG 26 HH12 ARG 26 8.621 17.510 6.746 198 HH21 ARG 26 HH21 ARG 26 10.853 16.929 9.388 199 HH22 ARG 26 HH22 ARG 26 10.114 18.126 8.370 200 H GLN 27 H GLN 27 11.001 9.190 7.371 201 HA GLN 27 HA GLN 27 9.800 6.771 6.392 202 HB2 GLN 27 HB2 GLN 27 11.809 5.641 7.460 203 HB3 GLN 27 HB3 GLN 27 12.180 6.845 6.239 204 HG2 GLN 27 HG2 GLN 27 12.788 8.460 7.976 205 HG3 GLN 27 HG3 GLN 27 12.356 7.300 9.229 206 HE21 GLN 27 HE21 GLN 27 14.097 6.479 6.249 207 HE22 GLN 27 HE22 GLN 27 15.583 6.081 7.028 208 H LEU 28 H LEU 28 7.993 6.166 7.398 209 HA LEU 28 HA LEU 28 7.446 6.804 10.148 210 HB2 LEU 28 HB2 LEU 28 5.840 5.034 8.259 211 HB3 LEU 28 HB3 LEU 28 5.267 5.737 9.763 212 HG LEU 28 HG LEU 28 5.901 7.198 7.171 213 HD11 LEU 28 HD11 LEU 28 3.532 7.841 7.242 214 HD12 LEU 28 HD12 LEU 28 3.310 6.900 8.720 215 HD13 LEU 28 HD13 LEU 28 3.729 6.088 7.209 216 HD21 LEU 28 HD21 LEU 28 5.266 9.292 8.302 217 HD22 LEU 28 HD22 LEU 28 6.730 8.590 8.983 218 HD23 LEU 28 HD23 LEU 28 5.198 8.439 9.848 219 H THR 29 H THR 29 7.727 5.553 11.888 220 HA THR 29 HA THR 29 8.973 2.962 11.750 221 HB THR 29 HB THR 29 8.722 2.973 14.231 222 HG1 THR 29 HG1 THR 29 7.493 5.528 13.987 223 HG21 THR 29 HG21 THR 29 9.689 5.639 13.135 224 HG22 THR 29 HG22 THR 29 10.656 4.166 13.271 225 HG23 THR 29 HG23 THR 29 10.077 4.978 14.726 226 H ALA 30 H ALA 30 7.980 0.966 12.580 227 HA ALA 30 HA ALA 30 5.405 0.359 11.657 228 HB1 ALA 30 HB1 ALA 30 7.123 -1.364 12.046 229 HB2 ALA 30 HB2 ALA 30 5.637 -1.766 12.903 230 HB3 ALA 30 HB3 ALA 30 7.018 -1.107 13.786 231 H ASP 31 H ASP 31 6.508 1.452 14.840 232 HA ASP 31 HA ASP 31 4.119 1.162 16.300 233 HB2 ASP 31 HB2 ASP 31 6.345 3.228 16.612 234 HB3 ASP 31 HB3 ASP 31 5.059 2.978 17.788 235 H TYR 32 H TYR 32 5.377 3.948 14.441 236 HA TYR 32 HA TYR 32 3.272 5.739 15.086 237 HB2 TYR 32 HB2 TYR 32 5.524 6.483 14.270 238 HB3 TYR 32 HB3 TYR 32 5.154 5.829 12.678 239 HD1 TYR 32 HD2 TYR 32 4.442 8.540 15.072 240 HD2 TYR 32 HD1 TYR 32 3.548 7.032 11.171 241 HE1 TYR 32 HE2 TYR 32 3.375 10.667 14.497 242 HE2 TYR 32 HE1 TYR 32 2.476 9.171 10.600 243 HH TYR 32 HH TYR 32 2.752 11.972 12.532 244 H PHE 33 H PHE 33 3.995 3.772 12.220 245 HA PHE 33 HA PHE 33 1.882 4.557 10.587 246 HB2 PHE 33 HB2 PHE 33 3.913 3.350 9.788 247 HB3 PHE 33 HB3 PHE 33 3.368 1.886 10.599 248 HD1 PHE 33 HD1 PHE 33 1.305 0.683 9.736 249 HD2 PHE 33 HD2 PHE 33 3.039 3.979 7.635 250 HE1 PHE 33 HE1 PHE 33 0.038 0.072 7.726 251 HE2 PHE 33 HE2 PHE 33 1.772 3.344 5.628 252 HZ PHE 33 HZ PHE 33 0.262 1.400 5.674 253 H GLU 34 H GLU 34 2.183 1.605 12.626 254 HA GLU 34 HA GLU 34 -0.353 0.532 12.044 255 HB2 GLU 34 HB2 GLU 34 1.431 -0.844 13.001 256 HB3 GLU 34 HB3 GLU 34 1.413 0.098 14.490 257 HG2 GLU 34 HG2 GLU 34 -0.902 -0.685 14.946 258 HG3 GLU 34 HG3 GLU 34 -0.861 -1.652 13.472 259 H LYS 35 H LYS 35 0.714 2.721 14.657 260 HA LYS 35 HA LYS 35 -1.690 2.758 16.146 261 HB2 LYS 35 HB2 LYS 35 0.479 3.655 16.981 262 HB3 LYS 35 HB3 LYS 35 0.362 4.977 15.827 263 HG2 LYS 35 HG2 LYS 35 -1.861 5.586 16.999 264 HG3 LYS 35 HG3 LYS 35 -1.360 4.465 18.267 265 HD2 LYS 35 HD2 LYS 35 -0.759 6.765 18.873 266 HD3 LYS 35 HD3 LYS 35 0.703 5.806 18.626 267 HE2 LYS 35 HE2 LYS 35 0.974 6.777 16.375 268 HE3 LYS 35 HE3 LYS 35 -0.518 7.701 16.582 269 HZ1 LYS 35 HZ1 LYS 35 0.513 8.868 18.424 270 HZ2 LYS 35 HZ2 LYS 35 1.419 9.057 17.017 271 HZ3 LYS 35 HZ3 LYS 35 1.942 7.996 18.220 272 H THR 36 H THR 36 -0.494 4.864 13.546 273 HA THR 36 HA THR 36 -2.734 6.569 13.306 274 HB THR 36 HB THR 36 -0.606 5.823 11.242 275 HG1 THR 36 HG1 THR 36 0.596 6.962 12.552 276 HG21 THR 36 HG21 THR 36 -1.123 7.994 10.160 277 HG22 THR 36 HG22 THR 36 -2.475 8.224 11.265 278 HG23 THR 36 HG23 THR 36 -2.511 6.900 10.102 279 H TRP 37 H TRP 37 -1.939 3.443 11.872 280 HA TRP 37 HA TRP 37 -3.933 3.248 9.890 281 HB2 TRP 37 HB2 TRP 37 -1.920 1.812 9.932 282 HB3 TRP 37 HB3 TRP 37 -2.423 1.095 11.457 283 HD1 TRP 37 HD1 TRP 37 -4.160 -0.920 11.335 284 HE1 TRP 37 HE1 TRP 37 -5.174 -2.263 9.392 285 HE3 TRP 37 HE3 TRP 37 -2.710 2.057 7.432 286 HZ2 TRP 37 HZ2 TRP 37 -5.318 -2.109 6.589 287 HZ3 TRP 37 HZ3 TRP 37 -3.331 1.386 5.150 288 HH2 TRP 37 HH2 TRP 37 -4.606 -0.654 4.739 289 H LEU 38 H LEU 38 -3.788 2.065 13.259 290 HA LEU 38 HA LEU 38 -6.446 1.033 13.355 291 HB2 LEU 38 HB2 LEU 38 -4.555 1.793 15.620 292 HB3 LEU 38 HB3 LEU 38 -6.034 0.865 15.814 293 HG LEU 38 HG LEU 38 -3.573 -0.035 14.262 294 HD11 LEU 38 HD11 LEU 38 -4.631 -1.025 16.923 295 HD12 LEU 38 HD12 LEU 38 -3.178 -0.055 16.668 296 HD13 LEU 38 HD13 LEU 38 -3.261 -1.693 16.030 297 HD21 LEU 38 HD21 LEU 38 -4.688 -2.221 14.067 298 HD22 LEU 38 HD22 LEU 38 -5.569 -0.951 13.225 299 HD23 LEU 38 HD23 LEU 38 -6.151 -1.541 14.784 300 H SER 39 H SER 39 -5.054 4.176 13.822 301 HA SER 39 HA SER 39 -7.282 5.380 15.188 302 HB2 SER 39 HB2 SER 39 -4.942 6.235 15.396 303 HB3 SER 39 HB3 SER 39 -4.975 6.709 13.697 304 HG SER 39 HG SER 39 -7.115 7.787 14.798 305 H LEU 40 H LEU 40 -6.597 4.627 11.849 306 HA LEU 40 HA LEU 40 -8.615 6.575 10.888 307 HB2 LEU 40 HB2 LEU 40 -6.390 5.134 9.388 308 HB3 LEU 40 HB3 LEU 40 -7.592 6.170 8.631 309 HG LEU 40 HG LEU 40 -5.520 7.084 10.663 310 HD11 LEU 40 HD11 LEU 40 -4.517 6.494 8.523 311 HD12 LEU 40 HD12 LEU 40 -4.460 8.233 8.794 312 HD13 LEU 40 HD13 LEU 40 -5.648 7.555 7.675 313 HD21 LEU 40 HD21 LEU 40 -7.535 8.441 10.853 314 HD22 LEU 40 HD22 LEU 40 -7.550 8.722 9.111 315 HD23 LEU 40 HD23 LEU 40 -6.242 9.378 10.102 316 H LYS 41 H LYS 41 -9.985 5.842 9.141 317 HA LYS 41 HA LYS 41 -11.005 3.103 9.548 318 HB2 LYS 41 HB2 LYS 41 -12.281 5.596 8.325 319 HB3 LYS 41 HB3 LYS 41 -13.077 4.032 8.435 320 HG2 LYS 41 HG2 LYS 41 -12.128 5.638 10.827 321 HG3 LYS 41 HG3 LYS 41 -13.772 5.674 10.198 322 HD2 LYS 41 HD2 LYS 41 -12.368 3.206 11.294 323 HD3 LYS 41 HD3 LYS 41 -13.554 4.179 12.163 324 HE2 LYS 41 HE2 LYS 41 -15.278 3.604 10.504 325 HE3 LYS 41 HE3 LYS 41 -14.096 2.674 9.580 326 HZ1 LYS 41 HZ1 LYS 41 -13.854 1.186 11.481 327 HZ2 LYS 41 HZ2 LYS 41 -15.453 1.231 10.937 328 HZ3 LYS 41 HZ3 LYS 41 -15.017 2.061 12.337 329 H VAL 42 H VAL 42 -11.443 1.777 7.705 330 HA VAL 42 HA VAL 42 -9.589 1.900 5.569 331 HB VAL 42 HB VAL 42 -12.181 0.276 5.697 332 HG11 VAL 42 HG11 VAL 42 -11.304 0.399 3.399 333 HG12 VAL 42 HG12 VAL 42 -11.108 -1.231 4.043 334 HG13 VAL 42 HG13 VAL 42 -9.718 -0.144 3.954 335 HG21 VAL 42 HG21 VAL 42 -10.803 -1.585 6.532 336 HG22 VAL 42 HG22 VAL 42 -10.696 -0.196 7.617 337 HG23 VAL 42 HG23 VAL 42 -9.370 -0.550 6.507 338 H ALA 43 H ALA 43 -9.634 3.266 3.887 339 HA ALA 43 HA ALA 43 -12.022 4.875 3.326 340 HB1 ALA 43 HB1 ALA 43 -9.836 5.989 3.531 341 HB2 ALA 43 HB2 ALA 43 -10.509 6.218 1.917 342 HB3 ALA 43 HB3 ALA 43 -9.208 5.050 2.176 343 H HIS 44 H HIS 44 -9.920 2.498 1.726 344 HA HIS 44 HA HIS 44 -12.218 1.501 0.242 345 HB2 HIS 44 HB2 HIS 44 -11.156 3.211 -1.280 346 HB3 HIS 44 HB3 HIS 44 -9.658 2.291 -1.241 347 HD2 HIS 44 HD2 HIS 44 -9.583 0.079 -2.932 348 HE1 HIS 44 HE1 HIS 44 -13.476 0.599 -4.476 349 HE2 HIS 44 HE2 HIS 44 -11.231 -0.500 -4.839 350 H GLN 45 H GLN 45 -11.918 -0.662 -0.502 351 HA GLN 45 HA GLN 45 -9.329 -1.937 -0.161 352 HB2 GLN 45 HB2 GLN 45 -10.446 -2.453 1.982 353 HB3 GLN 45 HB3 GLN 45 -11.820 -3.143 1.122 354 HG2 GLN 45 HG2 GLN 45 -10.419 -4.948 0.238 355 HG3 GLN 45 HG3 GLN 45 -8.979 -4.208 0.933 356 HE21 GLN 45 HE21 GLN 45 -8.554 -4.468 3.113 357 HE22 GLN 45 HE22 GLN 45 -9.432 -5.560 4.120 358 H GLN 46 H GLN 46 -8.898 -3.260 -1.784 359 HA GLN 46 HA GLN 46 -11.017 -4.021 -3.713 360 HB2 GLN 46 HB2 GLN 46 -9.724 -2.094 -4.566 361 HB3 GLN 46 HB3 GLN 46 -8.208 -2.934 -4.261 362 HG2 GLN 46 HG2 GLN 46 -8.801 -2.932 -6.654 363 HG3 GLN 46 HG3 GLN 46 -8.714 -4.568 -6.002 364 HE21 GLN 46 HE21 GLN 46 -10.852 -2.063 -7.177 365 HE22 GLN 46 HE22 GLN 46 -12.233 -3.071 -7.413 366 H VAL 47 H VAL 47 -11.012 -6.194 -4.155 367 HA VAL 47 HA VAL 47 -8.648 -7.816 -3.370 368 HB VAL 47 HB VAL 47 -11.509 -8.818 -3.787 369 HG11 VAL 47 HG11 VAL 47 -9.800 -10.559 -4.121 370 HG12 VAL 47 HG12 VAL 47 -10.725 -10.868 -2.653 371 HG13 VAL 47 HG13 VAL 47 -9.096 -10.197 -2.542 372 HG21 VAL 47 HG21 VAL 47 -10.115 -8.182 -1.158 373 HG22 VAL 47 HG22 VAL 47 -11.698 -8.945 -1.327 374 HG23 VAL 47 HG23 VAL 47 -11.460 -7.284 -1.868 375 H LEU 48 H LEU 48 -7.528 -8.779 -4.972 376 HA LEU 48 HA LEU 48 -8.672 -9.011 -7.684 377 HB2 LEU 48 HB2 LEU 48 -5.919 -7.941 -6.930 378 HB3 LEU 48 HB3 LEU 48 -6.379 -8.385 -8.566 379 HG LEU 48 HG LEU 48 -7.613 -6.132 -6.934 380 HD11 LEU 48 HD11 LEU 48 -6.511 -4.657 -8.563 381 HD12 LEU 48 HD12 LEU 48 -5.750 -6.059 -9.321 382 HD13 LEU 48 HD13 LEU 48 -5.343 -5.621 -7.660 383 HD21 LEU 48 HD21 LEU 48 -9.282 -7.123 -8.421 384 HD22 LEU 48 HD22 LEU 48 -8.180 -6.985 -9.793 385 HD23 LEU 48 HD23 LEU 48 -8.803 -5.530 -9.009 386 HA PRO 49 HA PRO 49 -7.057 -13.171 -6.919 387 HB2 PRO 49 HB2 PRO 49 -7.824 -14.334 -9.277 388 HB3 PRO 49 HB3 PRO 49 -8.999 -13.920 -8.013 389 HG2 PRO 49 HG2 PRO 49 -8.337 -12.425 -10.528 390 HG3 PRO 49 HG3 PRO 49 -9.927 -12.742 -9.800 391 HD2 PRO 49 HD2 PRO 49 -8.588 -10.346 -9.513 392 HD3 PRO 49 HD3 PRO 49 -9.743 -10.978 -8.309 393 H TRP 50 H TRP 50 -4.827 -12.941 -6.872 394 HA TRP 50 HA TRP 50 -3.226 -11.855 -8.936 395 HB2 TRP 50 HB2 TRP 50 -2.533 -11.976 -6.524 396 HB3 TRP 50 HB3 TRP 50 -2.322 -13.720 -6.681 397 HD1 TRP 50 HD1 TRP 50 -0.285 -14.520 -8.436 398 HE1 TRP 50 HE1 TRP 50 1.918 -13.354 -9.035 399 HE3 TRP 50 HE3 TRP 50 -1.299 -9.793 -6.729 400 HZ2 TRP 50 HZ2 TRP 50 3.109 -10.849 -8.793 401 HZ3 TRP 50 HZ3 TRP 50 0.455 -8.068 -6.940 402 HH2 TRP 50 HH2 TRP 50 2.616 -8.590 -7.954 403 H ARG 51 H ARG 51 -2.715 -12.721 -10.852 404 HA ARG 51 HA ARG 51 -2.994 -15.611 -11.340 405 HB2 ARG 51 HB2 ARG 51 -4.225 -14.139 -12.864 406 HB3 ARG 51 HB3 ARG 51 -2.765 -13.235 -13.249 407 HG2 ARG 51 HG2 ARG 51 -1.812 -15.209 -14.348 408 HG3 ARG 51 HG3 ARG 51 -3.238 -16.159 -13.931 409 HD2 ARG 51 HD2 ARG 51 -4.616 -14.926 -15.434 410 HD3 ARG 51 HD3 ARG 51 -3.413 -13.646 -15.617 411 HE ARG 51 HE ARG 51 -3.388 -16.293 -16.885 412 HH11 ARG 51 HH11 ARG 51 -1.757 -13.217 -16.387 413 HH12 ARG 51 HH12 ARG 51 -0.683 -13.437 -17.734 414 HH21 ARG 51 HH21 ARG 51 -1.936 -16.584 -18.631 415 HH22 ARG 51 HH22 ARG 51 -0.785 -15.335 -18.998 416 H GLY 52 H GLY 52 -1.367 -16.796 -12.356 417 HA2 GLY 52 HA2 GLY 52 0.746 -17.373 -13.112 418 HA3 GLY 52 HA3 GLY 52 1.327 -15.754 -12.732 419 H GLU 53 H GLU 53 2.812 -15.827 -11.197 420 HA GLU 53 HA GLU 53 2.220 -17.215 -8.663 421 HB2 GLU 53 HB2 GLU 53 4.560 -17.879 -8.365 422 HB3 GLU 53 HB3 GLU 53 3.912 -18.619 -9.815 423 HG2 GLU 53 HG2 GLU 53 5.728 -16.206 -9.749 424 HG3 GLU 53 HG3 GLU 53 6.256 -17.856 -10.045 425 H PHE 54 H PHE 54 3.108 -16.153 -6.841 426 HA PHE 54 HA PHE 54 3.041 -13.303 -7.137 427 HB2 PHE 54 HB2 PHE 54 1.931 -14.391 -5.228 428 HB3 PHE 54 HB3 PHE 54 3.478 -15.010 -4.651 429 HD1 PHE 54 HD2 PHE 54 2.187 -11.660 -5.800 430 HD2 PHE 54 HD1 PHE 54 4.244 -13.844 -2.753 431 HE1 PHE 54 HE2 PHE 54 2.525 -9.579 -4.541 432 HE2 PHE 54 HE1 PHE 54 4.575 -11.755 -1.507 433 HZ PHE 54 HZ PHE 54 3.722 -9.628 -2.396 434 H HIS 55 H HIS 55 4.649 -11.852 -6.934 435 HA HIS 55 HA HIS 55 7.416 -12.760 -6.433 436 HB2 HIS 55 HB2 HIS 55 6.406 -10.936 -8.650 437 HB3 HIS 55 HB3 HIS 55 8.097 -11.017 -8.187 438 HD1 HIS 55 HD1 HIS 55 9.480 -12.907 -9.140 439 HD2 HIS 55 HD2 HIS 55 5.421 -13.358 -9.930 440 HE1 HIS 55 HE1 HIS 55 9.311 -14.761 -10.817 441 HE2 HIS 55 HE2 HIS 55 6.883 -14.842 -11.443 442 HA PRO 56 HA PRO 56 6.489 -9.284 -3.509 443 HB2 PRO 56 HB2 PRO 56 8.031 -10.152 -1.436 444 HB3 PRO 56 HB3 PRO 56 6.442 -10.860 -1.789 445 HG2 PRO 56 HG2 PRO 56 9.159 -11.905 -2.519 446 HG3 PRO 56 HG3 PRO 56 7.765 -12.777 -1.844 447 HD2 PRO 56 HD2 PRO 56 8.374 -12.817 -4.509 448 HD3 PRO 56 HD3 PRO 56 6.708 -12.962 -3.900 449 H ASP 57 H ASP 57 9.666 -10.613 -4.344 450 HA ASP 57 HA ASP 57 11.255 -8.369 -3.692 451 HB2 ASP 57 HB2 ASP 57 11.792 -10.321 -5.988 452 HB3 ASP 57 HB3 ASP 57 12.974 -9.294 -5.186 453 H THR 58 H THR 58 9.671 -9.361 -6.693 454 HA THR 58 HA THR 58 10.483 -7.197 -8.342 455 HB THR 58 HB THR 58 8.002 -8.957 -8.633 456 HG1 THR 58 HG1 THR 58 10.603 -9.621 -8.719 457 HG21 THR 58 HG21 THR 58 8.009 -7.024 -10.191 458 HG22 THR 58 HG22 THR 58 8.218 -8.553 -11.045 459 HG23 THR 58 HG23 THR 58 9.610 -7.505 -10.768 460 H LEU 59 H LEU 59 7.732 -7.794 -6.211 461 HA LEU 59 HA LEU 59 6.176 -5.512 -6.753 462 HB2 LEU 59 HB2 LEU 59 5.319 -7.496 -5.564 463 HB3 LEU 59 HB3 LEU 59 6.399 -7.175 -4.220 464 HG LEU 59 HG LEU 59 5.134 -5.133 -3.647 465 HD11 LEU 59 HD11 LEU 59 3.034 -4.551 -4.755 466 HD12 LEU 59 HD12 LEU 59 3.296 -5.813 -5.962 467 HD13 LEU 59 HD13 LEU 59 4.392 -4.432 -5.872 468 HD21 LEU 59 HD21 LEU 59 4.454 -7.273 -2.667 469 HD22 LEU 59 HD22 LEU 59 3.324 -7.538 -3.997 470 HD23 LEU 59 HD23 LEU 59 3.076 -6.195 -2.880 471 H GLN 60 H GLN 60 8.665 -6.127 -4.267 472 HA GLN 60 HA GLN 60 8.398 -3.694 -2.855 473 HB2 GLN 60 HB2 GLN 60 9.503 -5.781 -1.984 474 HB3 GLN 60 HB3 GLN 60 10.861 -5.496 -3.069 475 HG2 GLN 60 HG2 GLN 60 11.348 -3.376 -1.889 476 HG3 GLN 60 HG3 GLN 60 9.984 -3.671 -0.809 477 HE21 GLN 60 HE21 GLN 60 10.171 -5.315 0.766 478 HE22 GLN 60 HE22 GLN 60 11.701 -5.984 1.204 479 H MET 61 H MET 61 10.679 -4.742 -5.385 480 HA MET 61 HA MET 61 12.204 -2.392 -5.600 481 HB2 MET 61 HB2 MET 61 11.638 -4.548 -7.684 482 HB3 MET 61 HB3 MET 61 12.890 -3.322 -7.835 483 HG2 MET 61 HG2 MET 61 14.105 -4.243 -5.952 484 HG3 MET 61 HG3 MET 61 12.790 -5.370 -5.608 485 HE1 MET 61 HE1 MET 61 15.564 -6.654 -5.738 486 HE2 MET 61 HE2 MET 61 15.310 -7.988 -6.862 487 HE3 MET 61 HE3 MET 61 14.069 -7.590 -5.673 488 H ALA 62 H ALA 62 9.211 -3.417 -7.257 489 HA ALA 62 HA ALA 62 9.058 -1.302 -9.150 490 HB1 ALA 62 HB1 ALA 62 7.790 -3.393 -9.405 491 HB2 ALA 62 HB2 ALA 62 6.704 -2.001 -9.422 492 HB3 ALA 62 HB3 ALA 62 6.832 -3.009 -7.976 493 H LEU 63 H LEU 63 7.725 -1.763 -5.892 494 HA LEU 63 HA LEU 63 6.206 0.583 -5.639 495 HB2 LEU 63 HB2 LEU 63 7.651 -1.056 -3.511 496 HB3 LEU 63 HB3 LEU 63 6.501 0.222 -3.142 497 HG LEU 63 HG LEU 63 5.792 -2.266 -4.740 498 HD11 LEU 63 HD11 LEU 63 5.319 -1.763 -1.795 499 HD12 LEU 63 HD12 LEU 63 6.435 -2.937 -2.494 500 HD13 LEU 63 HD13 LEU 63 4.698 -3.127 -2.725 501 HD21 LEU 63 HD21 LEU 63 4.004 -0.164 -3.482 502 HD22 LEU 63 HD22 LEU 63 3.462 -1.630 -4.303 503 HD23 LEU 63 HD23 LEU 63 4.313 -0.383 -5.208 504 H GLN 64 H GLN 64 9.595 -0.102 -4.734 505 HA GLN 64 HA GLN 64 10.423 2.392 -3.892 506 HB2 GLN 64 HB2 GLN 64 11.972 0.252 -5.409 507 HB3 GLN 64 HB3 GLN 64 12.731 1.669 -4.690 508 HG2 GLN 64 HG2 GLN 64 11.992 0.961 -2.457 509 HG3 GLN 64 HG3 GLN 64 11.188 -0.443 -3.158 510 HE21 GLN 64 HE21 GLN 64 14.290 1.001 -2.402 511 HE22 GLN 64 HE22 GLN 64 15.224 -0.437 -2.607 512 H VAL 65 H VAL 65 10.177 1.201 -7.296 513 HA VAL 65 HA VAL 65 11.380 3.447 -8.526 514 HB VAL 65 HB VAL 65 9.385 1.433 -9.672 515 HG11 VAL 65 HG11 VAL 65 10.191 2.126 -11.922 516 HG12 VAL 65 HG12 VAL 65 11.136 3.418 -11.177 517 HG13 VAL 65 HG13 VAL 65 9.375 3.447 -11.079 518 HG21 VAL 65 HG21 VAL 65 12.421 1.525 -9.882 519 HG22 VAL 65 HG22 VAL 65 11.371 0.335 -10.658 520 HG23 VAL 65 HG23 VAL 65 11.485 0.396 -8.900 521 H VAL 66 H VAL 66 8.084 2.815 -7.446 522 HA VAL 66 HA VAL 66 7.129 5.344 -8.654 523 HB VAL 66 HB VAL 66 4.836 4.552 -8.217 524 HG11 VAL 66 HG11 VAL 66 6.511 2.489 -9.695 525 HG12 VAL 66 HG12 VAL 66 5.890 3.999 -10.368 526 HG13 VAL 66 HG13 VAL 66 4.770 2.730 -9.874 527 HG21 VAL 66 HG21 VAL 66 6.097 1.993 -7.155 528 HG22 VAL 66 HG22 VAL 66 4.372 2.248 -7.437 529 HG23 VAL 66 HG23 VAL 66 5.213 3.186 -6.202 530 H ASN 67 H ASN 67 8.819 4.834 -6.107 531 HA ASN 67 HA ASN 67 9.260 6.025 -4.255 532 HB2 ASN 67 HB2 ASN 67 7.259 7.967 -5.482 533 HB3 ASN 67 HB3 ASN 67 8.294 8.356 -4.106 534 HD21 ASN 67 HD21 ASN 67 10.568 8.544 -4.448 535 HD22 ASN 67 HD22 ASN 67 11.223 8.782 -6.030 536 H ILE 68 H ILE 68 7.262 4.008 -4.061 537 HA ILE 68 HA ILE 68 5.604 4.854 -1.796 538 HB ILE 68 HB ILE 68 5.751 2.182 -3.277 539 HG12 ILE 68 HG12 ILE 68 4.645 3.970 -4.587 540 HG13 ILE 68 HG13 ILE 68 3.480 2.745 -4.103 541 HG21 ILE 68 HG21 ILE 68 3.923 2.974 -0.974 542 HG22 ILE 68 HG22 ILE 68 5.207 1.764 -0.927 543 HG23 ILE 68 HG23 ILE 68 3.781 1.494 -1.929 544 HD11 ILE 68 HD11 ILE 68 2.688 4.239 -2.309 545 HD12 ILE 68 HD12 ILE 68 2.541 4.961 -3.910 546 HD13 ILE 68 HD13 ILE 68 3.847 5.461 -2.839 547 H GLN 69 H GLN 69 6.431 4.713 0.138 548 HA GLN 69 HA GLN 69 8.961 3.447 0.742 549 HB2 GLN 69 HB2 GLN 69 8.336 5.685 1.596 550 HB3 GLN 69 HB3 GLN 69 6.950 4.997 2.436 551 HG2 GLN 69 HG2 GLN 69 8.444 3.769 3.930 552 HG3 GLN 69 HG3 GLN 69 9.850 4.377 3.051 553 HE21 GLN 69 HE21 GLN 69 7.255 5.223 5.233 554 HE22 GLN 69 HE22 GLN 69 7.889 6.757 5.705 555 H THR 70 H THR 70 9.195 1.446 1.720 556 HA THR 70 HA THR 70 6.747 -0.079 2.346 557 HB THR 70 HB THR 70 9.622 -1.085 2.048 558 HG1 THR 70 HG1 THR 70 8.594 -0.297 0.085 559 HG21 THR 70 HG21 THR 70 8.250 -2.556 3.499 560 HG22 THR 70 HG22 THR 70 8.610 -3.333 1.956 561 HG23 THR 70 HG23 THR 70 7.013 -2.641 2.240 562 H ILE 71 H ILE 71 6.129 -0.085 4.392 563 HA ILE 71 HA ILE 71 7.917 0.556 6.611 564 HB ILE 71 HB ILE 71 4.924 -0.068 6.556 565 HG12 ILE 71 HG12 ILE 71 5.390 1.973 5.322 566 HG13 ILE 71 HG13 ILE 71 4.668 2.416 6.861 567 HG21 ILE 71 HG21 ILE 71 4.831 0.892 8.836 568 HG22 ILE 71 HG22 ILE 71 6.590 1.039 8.854 569 HG23 ILE 71 HG23 ILE 71 5.836 -0.556 8.779 570 HD11 ILE 71 HD11 ILE 71 7.584 2.599 6.121 571 HD12 ILE 71 HD12 ILE 71 6.925 2.966 7.717 572 HD13 ILE 71 HD13 ILE 71 6.446 3.929 6.323 573 H ALA 72 H ALA 72 5.737 -2.124 5.667 574 HA ALA 72 HA ALA 72 7.503 -4.049 7.048 575 HB1 ALA 72 HB1 ALA 72 4.464 -3.961 7.282 576 HB2 ALA 72 HB2 ALA 72 5.615 -3.570 8.561 577 HB3 ALA 72 HB3 ALA 72 5.517 -5.217 7.942 578 H MET 73 H MET 73 7.477 -6.129 6.139 579 HA MET 73 HA MET 73 5.766 -6.841 3.930 580 HB2 MET 73 HB2 MET 73 7.449 -5.479 2.751 581 HB3 MET 73 HB3 MET 73 8.754 -6.422 3.450 582 HG2 MET 73 HG2 MET 73 8.296 -8.278 2.084 583 HG3 MET 73 HG3 MET 73 6.669 -7.726 1.715 584 HE1 MET 73 HE1 MET 73 6.075 -5.887 -0.114 585 HE2 MET 73 HE2 MET 73 7.287 -4.855 -0.868 586 HE3 MET 73 HE3 MET 73 6.967 -4.712 0.860 587 H SER 74 H SER 74 5.365 -8.970 4.111 588 HA SER 74 HA SER 74 6.758 -10.636 5.994 589 HB2 SER 74 HB2 SER 74 4.519 -11.324 4.042 590 HB3 SER 74 HB3 SER 74 5.052 -12.335 5.392 591 HG SER 74 HG SER 74 4.253 -9.669 5.847 592 H ARG 75 H ARG 75 7.192 -13.007 5.265 593 HA ARG 75 HA ARG 75 9.463 -12.921 3.522 594 HB2 ARG 75 HB2 ARG 75 8.094 -15.198 5.009 595 HB3 ARG 75 HB3 ARG 75 9.593 -15.399 4.108 596 HG2 ARG 75 HG2 ARG 75 10.747 -13.848 5.602 597 HG3 ARG 75 HG3 ARG 75 9.245 -13.519 6.470 598 HD2 ARG 75 HD2 ARG 75 9.150 -15.809 7.284 599 HD3 ARG 75 HD3 ARG 75 10.552 -16.261 6.305 600 HE ARG 75 HE ARG 75 11.415 -14.203 7.934 601 HH11 ARG 75 HH11 ARG 75 10.069 -17.428 8.485 602 HH12 ARG 75 HH12 ARG 75 10.913 -17.647 9.986 603 HH21 ARG 75 HH21 ARG 75 12.545 -14.532 9.878 604 HH22 ARG 75 HH22 ARG 75 12.314 -16.003 10.773 605 H ALA 76 H ALA 76 9.759 -13.760 1.537 606 HA ALA 76 HA ALA 76 7.763 -14.163 -0.361 607 HB1 ALA 76 HB1 ALA 76 9.578 -15.046 -1.799 608 HB2 ALA 76 HB2 ALA 76 10.621 -15.211 -0.382 609 HB3 ALA 76 HB3 ALA 76 10.106 -13.611 -0.918 610 H GLY 77 H GLY 77 6.519 -15.944 -0.973 611 HA2 GLY 77 HA2 GLY 77 5.850 -18.125 -1.146 612 HA3 GLY 77 HA3 GLY 77 7.223 -18.640 -0.186 613 H SER 78 H SER 78 6.251 -16.474 1.876 614 HA SER 78 HA SER 78 4.615 -18.355 3.402 615 HB2 SER 78 HB2 SER 78 6.524 -17.203 4.515 616 HB3 SER 78 HB3 SER 78 5.793 -15.633 4.182 617 HG SER 78 HG SER 78 5.021 -17.622 6.017 618 H ARG 79 H ARG 79 2.459 -18.285 3.183 619 HA ARG 79 HA ARG 79 1.100 -15.669 2.927 620 HB2 ARG 79 HB2 ARG 79 0.412 -18.305 1.587 621 HB3 ARG 79 HB3 ARG 79 -0.860 -17.142 1.937 622 HG2 ARG 79 HG2 ARG 79 -0.277 -16.739 -0.306 623 HG3 ARG 79 HG3 ARG 79 0.500 -15.439 0.599 624 HD2 ARG 79 HD2 ARG 79 1.967 -16.356 -1.156 625 HD3 ARG 79 HD3 ARG 79 2.654 -16.606 0.453 626 HE ARG 79 HE ARG 79 1.472 -18.924 0.174 627 HH11 ARG 79 HH11 ARG 79 3.226 -17.207 -2.348 628 HH12 ARG 79 HH12 ARG 79 3.680 -18.653 -3.183 629 HH21 ARG 79 HH21 ARG 79 2.054 -20.808 -0.919 630 HH22 ARG 79 HH22 ARG 79 3.010 -20.714 -2.367 631 HA PRO 80 HA PRO 80 -1.425 -15.114 3.090 632 HB2 PRO 80 HB2 PRO 80 -2.482 -13.443 5.007 633 HB3 PRO 80 HB3 PRO 80 -3.304 -14.911 4.440 634 HG2 PRO 80 HG2 PRO 80 -1.647 -14.530 6.910 635 HG3 PRO 80 HG3 PRO 80 -3.217 -15.348 6.725 636 HD2 PRO 80 HD2 PRO 80 -0.904 -16.748 6.837 637 HD3 PRO 80 HD3 PRO 80 -2.265 -17.273 5.822 638 H TRP 81 H TRP 81 0.148 -13.990 2.192 639 HA TRP 81 HA TRP 81 2.354 -12.799 3.607 640 HB2 TRP 81 HB2 TRP 81 2.589 -13.750 1.306 641 HB3 TRP 81 HB3 TRP 81 1.490 -12.530 0.679 642 HD1 TRP 81 HD1 TRP 81 5.122 -13.018 1.759 643 HE1 TRP 81 HE1 TRP 81 6.482 -10.930 1.123 644 HE3 TRP 81 HE3 TRP 81 1.287 -9.918 0.355 645 HZ2 TRP 81 HZ2 TRP 81 6.003 -8.351 0.141 646 HZ3 TRP 81 HZ3 TRP 81 1.836 -7.650 -0.418 647 HH2 TRP 81 HH2 TRP 81 4.153 -6.886 -0.516 648 H LYS 82 H LYS 82 2.213 -10.800 4.615 649 HA LYS 82 HA LYS 82 0.423 -8.807 3.347 650 HB2 LYS 82 HB2 LYS 82 -0.196 -7.906 5.476 651 HB3 LYS 82 HB3 LYS 82 -0.519 -9.633 5.474 652 HG2 LYS 82 HG2 LYS 82 1.713 -9.880 6.733 653 HG3 LYS 82 HG3 LYS 82 1.638 -8.130 6.969 654 HD2 LYS 82 HD2 LYS 82 -0.348 -10.218 7.946 655 HD3 LYS 82 HD3 LYS 82 0.677 -9.176 8.930 656 HE2 LYS 82 HE2 LYS 82 -0.608 -7.213 8.273 657 HE3 LYS 82 HE3 LYS 82 -1.559 -8.167 7.133 658 HZ1 LYS 82 HZ1 LYS 82 -1.552 -8.498 10.087 659 HZ2 LYS 82 HZ2 LYS 82 -2.436 -9.434 8.999 660 HZ3 LYS 82 HZ3 LYS 82 -2.781 -7.788 9.170 661 H ALA 83 H ALA 83 0.968 -6.596 3.698 662 HA ALA 83 HA ALA 83 3.668 -5.899 4.493 663 HB1 ALA 83 HB1 ALA 83 4.005 -6.499 2.126 664 HB2 ALA 83 HB2 ALA 83 4.166 -4.756 2.343 665 HB3 ALA 83 HB3 ALA 83 2.687 -5.424 1.643 666 H TYR 84 H TYR 84 3.799 -3.699 4.977 667 HA TYR 84 HA TYR 84 1.322 -2.098 4.737 668 HB2 TYR 84 HB2 TYR 84 3.401 -2.171 6.977 669 HB3 TYR 84 HB3 TYR 84 2.160 -0.931 6.838 670 HD1 TYR 84 HD1 TYR 84 -0.276 -1.544 7.099 671 HD2 TYR 84 HD2 TYR 84 2.826 -4.390 7.830 672 HE1 TYR 84 HE1 TYR 84 -1.866 -2.973 8.328 673 HE2 TYR 84 HE2 TYR 84 1.244 -5.810 9.048 674 HH TYR 84 HH TYR 84 -2.106 -5.355 8.962 675 H LEU 85 H LEU 85 1.539 -0.358 3.501 676 HA LEU 85 HA LEU 85 4.218 0.642 2.729 677 HB2 LEU 85 HB2 LEU 85 1.619 0.643 1.132 678 HB3 LEU 85 HB3 LEU 85 3.172 1.240 0.570 679 HG LEU 85 HG LEU 85 2.480 -1.658 1.164 680 HD11 LEU 85 HD11 LEU 85 1.434 -0.847 -0.882 681 HD12 LEU 85 HD12 LEU 85 2.729 -1.975 -1.266 682 HD13 LEU 85 HD13 LEU 85 2.984 -0.241 -1.474 683 HD21 LEU 85 HD21 LEU 85 5.097 -0.477 0.174 684 HD22 LEU 85 HD22 LEU 85 4.715 -2.200 0.253 685 HD23 LEU 85 HD23 LEU 85 4.814 -1.253 1.735 686 H SER 86 H SER 86 4.461 2.875 2.563 687 HA SER 86 HA SER 86 2.248 4.642 3.384 688 HB2 SER 86 HB2 SER 86 3.848 5.948 4.770 689 HB3 SER 86 HB3 SER 86 3.694 4.292 5.361 690 HG SER 86 HG SER 86 5.625 4.114 3.694 691 H ALA 87 H ALA 87 2.319 6.661 2.460 692 HA ALA 87 HA ALA 87 4.645 7.661 1.034 693 HB1 ALA 87 HB1 ALA 87 3.457 6.407 -0.740 694 HB2 ALA 87 HB2 ALA 87 3.355 8.141 -1.040 695 HB3 ALA 87 HB3 ALA 87 1.963 7.279 -0.378 696 H GLN 88 H GLN 88 4.182 9.983 0.377 697 HA GLN 88 HA GLN 88 1.817 11.250 1.530 698 HB2 GLN 88 HB2 GLN 88 3.471 11.362 3.402 699 HB3 GLN 88 HB3 GLN 88 4.633 12.143 2.334 700 HG2 GLN 88 HG2 GLN 88 3.132 14.074 2.069 701 HG3 GLN 88 HG3 GLN 88 1.924 13.297 3.091 702 HE21 GLN 88 HE21 GLN 88 3.288 15.850 3.409 703 HE22 GLN 88 HE22 GLN 88 4.041 15.796 4.957 704 H ASP 89 H ASP 89 1.099 12.625 -0.019 705 HA ASP 89 HA ASP 89 2.799 13.004 -2.338 706 HB2 ASP 89 HB2 ASP 89 0.891 13.622 -3.539 707 HB3 ASP 89 HB3 ASP 89 0.255 12.470 -2.377 708 H ASP 90 H ASP 90 2.720 15.209 -3.410 709 HA ASP 90 HA ASP 90 4.319 16.942 -1.903 710 HB2 ASP 90 HB2 ASP 90 4.536 16.683 -4.308 711 HB3 ASP 90 HB3 ASP 90 2.934 17.335 -4.571 712 H THR 91 H THR 91 0.900 16.826 -1.850 713 HA THR 91 HA THR 91 0.638 19.660 -1.024 714 HB THR 91 HB THR 91 -1.758 19.407 -1.140 715 HG1 THR 91 HG1 THR 91 -1.140 16.668 -1.286 716 HG21 THR 91 HG21 THR 91 -0.643 19.746 -3.329 717 HG22 THR 91 HG22 THR 91 -2.092 18.758 -3.502 718 HG23 THR 91 HG23 THR 91 -0.504 17.992 -3.528 719 H GLY 92 H GLY 92 1.409 16.799 0.471 720 HA2 GLY 92 HA2 GLY 92 2.064 16.810 2.726 721 HA3 GLY 92 HA3 GLY 92 0.835 17.998 3.099 722 H CYS 93 H CYS 93 -0.801 15.700 1.337 723 HA CYS 93 HA CYS 93 -2.017 14.587 3.700 724 HB2 CYS 93 HB2 CYS 93 -2.443 13.904 0.764 725 HB3 CYS 93 HB3 CYS 93 -3.424 13.291 2.096 726 HG CYS 93 HG CYS 93 -3.765 16.283 2.740 727 H LEU 94 H LEU 94 -1.699 12.636 4.630 728 HA LEU 94 HA LEU 94 0.629 11.053 3.782 729 HB2 LEU 94 HB2 LEU 94 0.242 12.056 6.180 730 HB3 LEU 94 HB3 LEU 94 -0.913 10.760 6.406 731 HG LEU 94 HG LEU 94 1.380 10.361 7.421 732 HD11 LEU 94 HD11 LEU 94 1.553 8.033 6.819 733 HD12 LEU 94 HD12 LEU 94 0.564 8.295 5.378 734 HD13 LEU 94 HD13 LEU 94 -0.137 8.509 6.983 735 HD21 LEU 94 HD21 LEU 94 3.242 9.707 6.005 736 HD22 LEU 94 HD22 LEU 94 2.742 11.356 5.641 737 HD23 LEU 94 HD23 LEU 94 2.294 10.041 4.553 738 H PHE 95 H PHE 95 0.406 8.976 3.088 739 HA PHE 95 HA PHE 95 -2.268 7.735 2.891 740 HB2 PHE 95 HB2 PHE 95 0.098 7.544 0.960 741 HB3 PHE 95 HB3 PHE 95 -1.445 6.709 0.764 742 HD1 PHE 95 HD2 PHE 95 0.249 9.996 0.618 743 HD2 PHE 95 HD1 PHE 95 -3.452 7.923 0.070 744 HE1 PHE 95 HE2 PHE 95 -0.698 11.971 -0.504 745 HE2 PHE 95 HE1 PHE 95 -4.383 9.904 -1.040 746 HZ PHE 95 HZ PHE 95 -3.011 11.930 -1.328 747 H LEU 96 H LEU 96 -2.485 5.817 3.825 748 HA LEU 96 HA LEU 96 -0.132 4.125 4.438 749 HB2 LEU 96 HB2 LEU 96 -2.688 4.265 6.095 750 HB3 LEU 96 HB3 LEU 96 -1.222 3.381 6.471 751 HG LEU 96 HG LEU 96 -0.175 5.897 6.395 752 HD11 LEU 96 HD11 LEU 96 -3.029 6.343 7.286 753 HD12 LEU 96 HD12 LEU 96 -2.241 7.022 5.860 754 HD13 LEU 96 HD13 LEU 96 -1.703 7.496 7.468 755 HD21 LEU 96 HD21 LEU 96 -0.312 5.987 8.824 756 HD22 LEU 96 HD22 LEU 96 0.096 4.368 8.256 757 HD23 LEU 96 HD23 LEU 96 -1.543 4.716 8.819 758 H THR 97 H THR 97 -0.312 2.020 3.792 759 HA THR 97 HA THR 97 -2.897 0.954 2.859 760 HB THR 97 HB THR 97 -0.349 0.882 1.171 761 HG1 THR 97 HG1 THR 97 -2.515 2.672 1.278 762 HG21 THR 97 HG21 THR 97 -1.852 0.177 -0.656 763 HG22 THR 97 HG22 THR 97 -3.219 0.160 0.459 764 HG23 THR 97 HG23 THR 97 -1.894 -0.988 0.669 765 H GLU 98 H GLU 98 -3.052 -1.296 2.746 766 HA GLU 98 HA GLU 98 -0.782 -2.943 3.694 767 HB2 GLU 98 HB2 GLU 98 -2.501 -2.866 5.452 768 HB3 GLU 98 HB3 GLU 98 -3.741 -3.363 4.303 769 HG2 GLU 98 HG2 GLU 98 -2.455 -5.525 3.984 770 HG3 GLU 98 HG3 GLU 98 -1.394 -5.026 5.300 771 H LEU 99 H LEU 99 -0.242 -4.561 2.318 772 HA LEU 99 HA LEU 99 -2.106 -5.421 0.171 773 HB2 LEU 99 HB2 LEU 99 0.930 -5.741 0.343 774 HB3 LEU 99 HB3 LEU 99 -0.082 -6.298 -0.981 775 HG LEU 99 HG LEU 99 0.535 -3.422 -0.231 776 HD11 LEU 99 HD11 LEU 99 1.525 -3.317 -2.479 777 HD12 LEU 99 HD12 LEU 99 1.149 -5.024 -2.734 778 HD13 LEU 99 HD13 LEU 99 2.300 -4.548 -1.483 779 HD21 LEU 99 HD21 LEU 99 -0.888 -2.741 -2.119 780 HD22 LEU 99 HD22 LEU 99 -1.817 -3.527 -0.847 781 HD23 LEU 99 HD23 LEU 99 -1.422 -4.411 -2.324 782 H LEU 100 H LEU 100 -2.962 -7.441 0.451 783 HA LEU 100 HA LEU 100 -1.619 -9.331 2.308 784 HB2 LEU 100 HB2 LEU 100 -3.321 -8.056 3.561 785 HB3 LEU 100 HB3 LEU 100 -4.543 -8.483 2.375 786 HG LEU 100 HG LEU 100 -4.376 -10.863 3.037 787 HD11 LEU 100 HD11 LEU 100 -2.042 -10.969 3.725 788 HD12 LEU 100 HD12 LEU 100 -3.098 -11.568 5.000 789 HD13 LEU 100 HD13 LEU 100 -2.388 -9.958 5.131 790 HD21 LEU 100 HD21 LEU 100 -5.442 -10.667 5.235 791 HD22 LEU 100 HD22 LEU 100 -6.032 -9.434 4.123 792 HD23 LEU 100 HD23 LEU 100 -4.866 -9.004 5.379 793 H LEU 101 H LEU 101 -1.346 -11.236 1.264 794 HA LEU 101 HA LEU 101 -3.087 -11.959 -1.006 795 HB2 LEU 101 HB2 LEU 101 -0.688 -11.563 -1.597 796 HB3 LEU 101 HB3 LEU 101 -0.207 -12.794 -0.438 797 HG LEU 101 HG LEU 101 -1.581 -14.472 -1.812 798 HD11 LEU 101 HD11 LEU 101 -2.083 -13.921 -4.139 799 HD12 LEU 101 HD12 LEU 101 -1.600 -12.247 -3.859 800 HD13 LEU 101 HD13 LEU 101 -3.000 -12.915 -3.018 801 HD21 LEU 101 HD21 LEU 101 0.855 -14.416 -1.917 802 HD22 LEU 101 HD22 LEU 101 0.790 -13.197 -3.193 803 HD23 LEU 101 HD23 LEU 101 0.158 -14.819 -3.485 804 H GLU 102 H GLU 102 -4.464 -13.517 -0.452 805 HA GLU 102 HA GLU 102 -4.302 -15.038 1.936 806 HB2 GLU 102 HB2 GLU 102 -6.200 -15.256 -0.440 807 HB3 GLU 102 HB3 GLU 102 -6.428 -16.082 1.096 808 HG2 GLU 102 HG2 GLU 102 -6.427 -13.087 0.650 809 HG3 GLU 102 HG3 GLU 102 -7.834 -14.092 0.987 810 HA PRO 103 HA PRO 103 -2.213 -18.744 0.419 811 HB2 PRO 103 HB2 PRO 103 -2.903 -20.508 2.376 812 HB3 PRO 103 HB3 PRO 103 -1.810 -19.145 2.702 813 HG2 PRO 103 HG2 PRO 103 -4.764 -19.340 3.232 814 HG3 PRO 103 HG3 PRO 103 -3.469 -18.792 4.320 815 HD2 PRO 103 HD2 PRO 103 -5.008 -17.032 2.944 816 HD3 PRO 103 HD3 PRO 103 -3.291 -16.710 3.289 817 H GLY 104 H GLY 104 -2.673 -20.788 -0.561 818 HA2 GLY 104 HA2 GLY 104 -3.900 -22.334 -1.752 819 HA3 GLY 104 HA3 GLY 104 -5.325 -21.875 -0.826 820 H ASN 105 H ASN 105 -6.522 -19.992 -1.497 821 HA ASN 105 HA ASN 105 -6.590 -19.540 -4.371 822 HB2 ASN 105 HB2 ASN 105 -8.355 -18.456 -2.123 823 HB3 ASN 105 HB3 ASN 105 -8.601 -18.110 -3.834 824 HD21 ASN 105 HD21 ASN 105 -10.596 -19.068 -3.966 825 HD22 ASN 105 HD22 ASN 105 -10.867 -20.765 -3.806 826 H SER 106 H SER 106 -4.950 -18.304 -5.043 827 HA SER 106 HA SER 106 -3.706 -16.211 -3.587 828 HB2 SER 106 HB2 SER 106 -3.591 -16.744 -6.584 829 HB3 SER 106 HB3 SER 106 -2.439 -15.798 -5.639 830 HG SER 106 HG SER 106 -2.720 -18.546 -5.873 831 H GLU 107 H GLU 107 -5.339 -14.793 -2.957 832 HA GLU 107 HA GLU 107 -6.089 -12.799 -5.027 833 HB2 GLU 107 HB2 GLU 107 -7.836 -13.655 -2.672 834 HB3 GLU 107 HB3 GLU 107 -8.146 -12.243 -3.678 835 HG2 GLU 107 HG2 GLU 107 -8.340 -13.773 -5.658 836 HG3 GLU 107 HG3 GLU 107 -8.187 -15.138 -4.558 837 H MET 108 H MET 108 -5.732 -10.701 -4.452 838 HA MET 108 HA MET 108 -4.265 -10.233 -1.944 839 HB2 MET 108 HB2 MET 108 -2.828 -9.957 -3.925 840 HB3 MET 108 HB3 MET 108 -3.965 -8.811 -4.628 841 HG2 MET 108 HG2 MET 108 -3.496 -7.183 -2.909 842 HG3 MET 108 HG3 MET 108 -2.547 -8.349 -1.988 843 HE1 MET 108 HE1 MET 108 -0.712 -9.795 -4.058 844 HE2 MET 108 HE2 MET 108 -0.105 -9.082 -2.561 845 HE3 MET 108 HE3 MET 108 0.687 -8.722 -4.095 846 H GLN 109 H GLN 109 -5.223 -8.917 -0.581 847 HA GLN 109 HA GLN 109 -7.493 -7.231 -1.297 848 HB2 GLN 109 HB2 GLN 109 -6.457 -8.216 1.413 849 HB3 GLN 109 HB3 GLN 109 -7.920 -7.266 1.172 850 HG2 GLN 109 HG2 GLN 109 -8.906 -9.116 -0.125 851 HG3 GLN 109 HG3 GLN 109 -7.436 -10.065 0.117 852 HE21 GLN 109 HE21 GLN 109 -6.981 -10.865 2.221 853 HE22 GLN 109 HE22 GLN 109 -8.222 -10.997 3.416 854 H ILE 110 H ILE 110 -6.980 -5.170 -1.567 855 HA ILE 110 HA ILE 110 -4.509 -3.992 -0.448 856 HB ILE 110 HB ILE 110 -6.248 -2.991 -2.775 857 HG12 ILE 110 HG12 ILE 110 -4.016 -3.456 -4.115 858 HG13 ILE 110 HG13 ILE 110 -3.634 -4.542 -2.790 859 HG21 ILE 110 HG21 ILE 110 -3.619 -1.879 -1.721 860 HG22 ILE 110 HG22 ILE 110 -5.208 -1.126 -1.565 861 HG23 ILE 110 HG23 ILE 110 -4.470 -1.308 -3.157 862 HD11 ILE 110 HD11 ILE 110 -5.636 -5.851 -3.285 863 HD12 ILE 110 HD12 ILE 110 -4.583 -5.723 -4.692 864 HD13 ILE 110 HD13 ILE 110 -6.046 -4.743 -4.596 865 H SER 111 H SER 111 -4.978 -2.879 1.406 866 HA SER 111 HA SER 111 -7.622 -1.553 1.679 867 HB2 SER 111 HB2 SER 111 -7.148 -3.301 3.387 868 HB3 SER 111 HB3 SER 111 -5.681 -2.443 3.871 869 HG SER 111 HG SER 111 -8.324 -1.391 3.971 870 H VAL 112 H VAL 112 -7.431 0.544 1.161 871 HA VAL 112 HA VAL 112 -4.940 2.024 1.736 872 HB VAL 112 HB VAL 112 -7.285 2.893 -0.031 873 HG11 VAL 112 HG11 VAL 112 -4.447 3.968 0.176 874 HG12 VAL 112 HG12 VAL 112 -5.904 4.756 0.791 875 HG13 VAL 112 HG13 VAL 112 -5.685 4.537 -0.947 876 HG21 VAL 112 HG21 VAL 112 -6.286 0.843 -0.965 877 HG22 VAL 112 HG22 VAL 112 -4.685 1.581 -0.915 878 HG23 VAL 112 HG23 VAL 112 -5.926 2.237 -1.987 879 H LYS 113 H LYS 113 -4.988 3.231 3.533 880 HA LYS 113 HA LYS 113 -7.410 4.735 4.332 881 HB2 LYS 113 HB2 LYS 113 -5.185 3.692 6.156 882 HB3 LYS 113 HB3 LYS 113 -6.526 4.712 6.667 883 HG2 LYS 113 HG2 LYS 113 -8.096 2.867 6.145 884 HG3 LYS 113 HG3 LYS 113 -6.720 1.853 5.682 885 HD2 LYS 113 HD2 LYS 113 -5.787 2.062 7.965 886 HD3 LYS 113 HD3 LYS 113 -7.147 3.086 8.438 887 HE2 LYS 113 HE2 LYS 113 -8.693 1.236 8.123 888 HE3 LYS 113 HE3 LYS 113 -7.392 0.208 7.512 889 HZ1 LYS 113 HZ1 LYS 113 -6.326 0.323 9.657 890 HZ2 LYS 113 HZ2 LYS 113 -7.910 -0.232 9.837 891 HZ3 LYS 113 HZ3 LYS 113 -7.521 1.362 10.246 892 H GLN 114 H GLN 114 -6.859 6.727 3.439 893 HA GLN 114 HA GLN 114 -4.195 7.833 4.027 894 HB2 GLN 114 HB2 GLN 114 -4.836 9.682 2.485 895 HB3 GLN 114 HB3 GLN 114 -4.852 8.109 1.711 896 HG2 GLN 114 HG2 GLN 114 -7.402 9.287 2.772 897 HG3 GLN 114 HG3 GLN 114 -6.752 9.842 1.237 898 HE21 GLN 114 HE21 GLN 114 -8.676 9.109 0.291 899 HE22 GLN 114 HE22 GLN 114 -8.942 7.445 -0.054 900 H ASN 115 H ASN 115 -3.912 9.642 5.226 901 HA ASN 115 HA ASN 115 -5.561 9.843 7.533 902 HB2 ASN 115 HB2 ASN 115 -3.105 10.052 7.650 903 HB3 ASN 115 HB3 ASN 115 -3.160 11.531 6.695 904 HD21 ASN 115 HD21 ASN 115 -3.771 13.421 7.682 905 HD22 ASN 115 HD22 ASN 115 -4.013 13.599 9.385 906 H GLU 116 H GLU 116 -4.881 12.032 4.820 907 HA GLU 116 HA GLU 116 -7.404 13.474 5.393 908 HB2 GLU 116 HB2 GLU 116 -4.977 14.425 3.804 909 HB3 GLU 116 HB3 GLU 116 -6.485 15.318 3.990 910 HG2 GLU 116 HG2 GLU 116 -6.114 15.480 6.418 911 HG3 GLU 116 HG3 GLU 116 -4.630 14.540 6.253 912 H ALA 117 H ALA 117 -8.947 12.476 4.227 913 HA ALA 117 HA ALA 117 -8.351 10.945 1.865 914 HB1 ALA 117 HB1 ALA 117 -10.729 10.302 1.986 915 HB2 ALA 117 HB2 ALA 117 -10.997 11.517 3.236 916 HB3 ALA 117 HB3 ALA 117 -9.938 10.142 3.556 917 H ARG 118 H ARG 118 -8.063 11.918 -0.062 918 HA ARG 118 HA ARG 118 -10.054 13.926 -0.956 919 HB2 ARG 118 HB2 ARG 118 -7.155 13.770 -1.281 920 HB3 ARG 118 HB3 ARG 118 -7.905 13.726 -2.867 921 HG2 ARG 118 HG2 ARG 118 -9.018 15.840 -2.461 922 HG3 ARG 118 HG3 ARG 118 -8.439 15.868 -0.791 923 HD2 ARG 118 HD2 ARG 118 -6.781 16.077 -3.320 924 HD3 ARG 118 HD3 ARG 118 -7.048 17.344 -2.122 925 HE ARG 118 HE ARG 118 -5.878 15.512 -0.604 926 HH11 ARG 118 HH11 ARG 118 -4.902 16.643 -3.819 927 HH12 ARG 118 HH12 ARG 118 -3.223 16.293 -3.527 928 HH21 ARG 118 HH21 ARG 118 -3.726 14.912 -0.368 929 HH22 ARG 118 HH22 ARG 118 -2.565 15.316 -1.592 930 H THR 119 H THR 119 -11.113 13.547 -2.937 931 HA THR 119 HA THR 119 -11.763 10.838 -3.508 932 HB THR 119 HB THR 119 -12.377 13.305 -5.207 933 HG1 THR 119 HG1 THR 119 -13.067 12.887 -2.689 934 HG21 THR 119 HG21 THR 119 -14.394 12.059 -5.889 935 HG22 THR 119 HG22 THR 119 -13.915 10.691 -4.880 936 HG23 THR 119 HG23 THR 119 -12.945 11.133 -6.287 937 H GLU 120 H GLU 120 -9.951 13.370 -5.198 938 HA GLU 120 HA GLU 120 -9.147 12.032 -7.500 939 HB2 GLU 120 HB2 GLU 120 -7.287 13.721 -7.582 940 HB3 GLU 120 HB3 GLU 120 -8.872 14.432 -7.306 941 HG2 GLU 120 HG2 GLU 120 -8.389 14.757 -4.959 942 HG3 GLU 120 HG3 GLU 120 -6.875 13.872 -5.108 943 H THR 121 H THR 121 -7.610 12.128 -4.286 944 HA THR 121 HA THR 121 -5.181 10.892 -5.137 945 HB THR 121 HB THR 121 -4.622 10.813 -2.727 946 HG1 THR 121 HG1 THR 121 -6.552 10.447 -1.705 947 HG21 THR 121 HG21 THR 121 -4.614 13.222 -2.314 948 HG22 THR 121 HG22 THR 121 -5.823 13.459 -3.578 949 HG23 THR 121 HG23 THR 121 -4.209 12.878 -3.997 950 H LEU 122 H LEU 122 -8.129 9.751 -3.478 951 HA LEU 122 HA LEU 122 -7.191 7.188 -2.832 952 HB2 LEU 122 HB2 LEU 122 -9.242 8.191 -1.857 953 HB3 LEU 122 HB3 LEU 122 -10.047 8.069 -3.415 954 HG LEU 122 HG LEU 122 -10.004 5.614 -3.299 955 HD11 LEU 122 HD11 LEU 122 -8.528 5.916 -0.666 956 HD12 LEU 122 HD12 LEU 122 -7.881 5.250 -2.168 957 HD13 LEU 122 HD13 LEU 122 -9.172 4.407 -1.321 958 HD21 LEU 122 HD21 LEU 122 -11.037 6.794 -0.702 959 HD22 LEU 122 HD22 LEU 122 -11.510 5.242 -1.401 960 HD23 LEU 122 HD23 LEU 122 -11.904 6.741 -2.239 961 H ASN 123 H ASN 123 -9.140 8.328 -5.638 962 HA ASN 123 HA ASN 123 -9.379 5.850 -6.949 963 HB2 ASN 123 HB2 ASN 123 -9.460 8.700 -8.045 964 HB3 ASN 123 HB3 ASN 123 -9.926 7.281 -8.983 965 HD21 ASN 123 HD21 ASN 123 -11.454 9.664 -8.037 966 HD22 ASN 123 HD22 ASN 123 -12.832 9.018 -7.224 967 H SER 124 H SER 124 -7.066 8.507 -7.437 968 HA SER 124 HA SER 124 -5.537 7.444 -9.519 969 HB2 SER 124 HB2 SER 124 -5.367 9.794 -8.855 970 HB3 SER 124 HB3 SER 124 -4.700 9.341 -7.288 971 HG SER 124 HG SER 124 -3.030 9.933 -8.643 972 H PHE 125 H PHE 125 -5.098 7.156 -5.976 973 HA PHE 125 HA PHE 125 -2.587 5.886 -5.976 974 HB2 PHE 125 HB2 PHE 125 -3.630 6.992 -3.974 975 HB3 PHE 125 HB3 PHE 125 -4.765 5.656 -3.840 976 HD1 PHE 125 HD1 PHE 125 -3.960 3.408 -3.087 977 HD2 PHE 125 HD2 PHE 125 -1.316 6.764 -3.265 978 HE1 PHE 125 HE1 PHE 125 -2.313 2.191 -1.732 979 HE2 PHE 125 HE2 PHE 125 0.328 5.536 -1.904 980 HZ PHE 125 HZ PHE 125 -0.168 3.249 -1.144 981 H ILE 126 H ILE 126 -5.874 4.546 -5.782 982 HA ILE 126 HA ILE 126 -5.277 1.818 -5.493 983 HB ILE 126 HB ILE 126 -7.695 3.087 -6.878 984 HG12 ILE 126 HG12 ILE 126 -7.564 2.114 -3.989 985 HG13 ILE 126 HG13 ILE 126 -7.222 3.781 -4.436 986 HG21 ILE 126 HG21 ILE 126 -8.902 0.987 -6.347 987 HG22 ILE 126 HG22 ILE 126 -7.412 0.294 -5.709 988 HG23 ILE 126 HG23 ILE 126 -7.530 0.692 -7.422 989 HD11 ILE 126 HD11 ILE 126 -9.470 4.025 -5.325 990 HD12 ILE 126 HD12 ILE 126 -9.499 3.506 -3.642 991 HD13 ILE 126 HD13 ILE 126 -9.828 2.342 -4.924 992 H SER 127 H SER 127 -5.804 3.824 -8.396 993 HA SER 127 HA SER 127 -5.594 1.759 -10.324 994 HB2 SER 127 HB2 SER 127 -5.069 4.743 -10.661 995 HB3 SER 127 HB3 SER 127 -5.355 3.593 -11.973 996 HG SER 127 HG SER 127 -7.344 3.278 -10.302 997 H VAL 128 H VAL 128 -3.139 3.929 -8.901 998 HA VAL 128 HA VAL 128 -0.970 3.234 -10.601 999 HB VAL 128 HB VAL 128 -0.999 4.437 -7.790 1000 HG11 VAL 128 HG11 VAL 128 1.400 4.141 -9.646 1001 HG12 VAL 128 HG12 VAL 128 1.170 3.323 -8.098 1002 HG13 VAL 128 HG13 VAL 128 1.377 5.074 -8.149 1003 HG21 VAL 128 HG21 VAL 128 -0.500 5.743 -10.493 1004 HG22 VAL 128 HG22 VAL 128 -0.493 6.561 -8.929 1005 HG23 VAL 128 HG23 VAL 128 -1.988 5.862 -9.552 1006 H LEU 129 H LEU 129 -1.823 2.177 -7.298 1007 HA LEU 129 HA LEU 129 0.162 0.266 -6.952 1008 HB2 LEU 129 HB2 LEU 129 -1.413 1.309 -5.250 1009 HB3 LEU 129 HB3 LEU 129 -2.630 0.150 -5.747 1010 HG LEU 129 HG LEU 129 0.080 -0.772 -4.705 1011 HD11 LEU 129 HD11 LEU 129 -2.351 -0.159 -3.003 1012 HD12 LEU 129 HD12 LEU 129 -0.822 0.723 -3.002 1013 HD13 LEU 129 HD13 LEU 129 -0.868 -0.950 -2.458 1014 HD21 LEU 129 HD21 LEU 129 -1.301 -2.479 -5.803 1015 HD22 LEU 129 HD22 LEU 129 -2.635 -2.126 -4.705 1016 HD23 LEU 129 HD23 LEU 129 -1.132 -2.811 -4.081 1017 H GLU 130 H GLU 130 -3.119 -0.129 -8.313 1018 HA GLU 130 HA GLU 130 -2.968 -2.909 -8.827 1019 HB2 GLU 130 HB2 GLU 130 -4.651 -0.744 -10.142 1020 HB3 GLU 130 HB3 GLU 130 -4.821 -2.457 -10.524 1021 HG2 GLU 130 HG2 GLU 130 -5.413 -2.934 -8.175 1022 HG3 GLU 130 HG3 GLU 130 -5.235 -1.225 -7.778 1023 H THR 131 H THR 131 -1.849 -0.123 -10.723 1024 HA THR 131 HA THR 131 -1.121 -1.508 -13.075 1025 HB THR 131 HB THR 131 0.147 1.001 -11.872 1026 HG1 THR 131 HG1 THR 131 -2.252 0.700 -12.753 1027 HG21 THR 131 HG21 THR 131 0.294 -0.040 -14.733 1028 HG22 THR 131 HG22 THR 131 1.634 -0.017 -13.584 1029 HG23 THR 131 HG23 THR 131 0.938 1.499 -14.162 1030 H VAL 132 H VAL 132 0.593 -0.915 -10.011 1031 HA VAL 132 HA VAL 132 3.060 -2.125 -10.626 1032 HB VAL 132 HB VAL 132 1.684 -2.004 -7.889 1033 HG11 VAL 132 HG11 VAL 132 4.608 -2.478 -8.575 1034 HG12 VAL 132 HG12 VAL 132 3.492 -3.664 -7.895 1035 HG13 VAL 132 HG13 VAL 132 3.971 -2.254 -6.947 1036 HG21 VAL 132 HG21 VAL 132 1.979 0.245 -8.858 1037 HG22 VAL 132 HG22 VAL 132 3.690 -0.082 -9.137 1038 HG23 VAL 132 HG23 VAL 132 3.066 0.017 -7.487 1039 H ILE 133 H ILE 133 0.068 -3.503 -9.198 1040 HA ILE 133 HA ILE 133 0.905 -6.154 -8.778 1041 HB ILE 133 HB ILE 133 -1.875 -5.040 -9.427 1042 HG12 ILE 133 HG12 ILE 133 -0.648 -5.843 -6.745 1043 HG13 ILE 133 HG13 ILE 133 -0.887 -4.193 -7.306 1044 HG21 ILE 133 HG21 ILE 133 -2.852 -7.131 -8.556 1045 HG22 ILE 133 HG22 ILE 133 -1.240 -7.820 -8.389 1046 HG23 ILE 133 HG23 ILE 133 -1.865 -7.433 -9.989 1047 HD11 ILE 133 HD11 ILE 133 -2.588 -4.801 -5.713 1048 HD12 ILE 133 HD12 ILE 133 -3.061 -6.192 -6.688 1049 HD13 ILE 133 HD13 ILE 133 -3.315 -4.555 -7.300 1050 H GLY 134 H GLY 134 -0.723 -4.661 -11.542 1051 HA2 GLY 134 HA2 GLY 134 -1.238 -6.929 -13.107 1052 HA3 GLY 134 HA3 GLY 134 -1.179 -5.275 -13.692 1053 H THR 135 H THR 135 1.430 -4.569 -13.306 1054 HA THR 135 HA THR 135 2.613 -5.683 -15.640 1055 HB THR 135 HB THR 135 2.913 -3.299 -14.908 1056 HG1 THR 135 HG1 THR 135 4.297 -3.898 -16.466 1057 HG21 THR 135 HG21 THR 135 4.915 -4.446 -12.921 1058 HG22 THR 135 HG22 THR 135 3.397 -3.644 -12.511 1059 HG23 THR 135 HG23 THR 135 4.691 -2.733 -13.290 1060 H ILE 136 H ILE 136 2.909 -6.471 -12.260 1061 HA ILE 136 HA ILE 136 5.425 -7.891 -12.437 1062 HB ILE 136 HB ILE 136 3.268 -7.873 -10.274 1063 HG12 ILE 136 HG12 ILE 136 6.025 -6.578 -10.269 1064 HG13 ILE 136 HG13 ILE 136 4.553 -5.728 -10.729 1065 HG21 ILE 136 HG21 ILE 136 4.508 -9.991 -10.118 1066 HG22 ILE 136 HG22 ILE 136 4.947 -8.932 -8.779 1067 HG23 ILE 136 HG23 ILE 136 6.042 -9.119 -10.148 1068 HD11 ILE 136 HD11 ILE 136 5.078 -6.968 -8.038 1069 HD12 ILE 136 HD12 ILE 136 3.639 -6.064 -8.520 1070 HD13 ILE 136 HD13 ILE 136 5.203 -5.257 -8.447 1071 H GLU 137 H GLU 137 1.985 -8.679 -12.659 1072 HA GLU 137 HA GLU 137 2.214 -11.525 -12.694 1073 HB2 GLU 137 HB2 GLU 137 0.094 -9.727 -13.952 1074 HB3 GLU 137 HB3 GLU 137 -0.054 -11.469 -13.731 1075 HG2 GLU 137 HG2 GLU 137 -0.056 -11.230 -11.321 1076 HG3 GLU 137 HG3 GLU 137 0.291 -9.505 -11.444 1077 H GLU 138 H GLU 138 1.591 -9.265 -15.413 1078 HA GLU 138 HA GLU 138 3.818 -10.217 -16.977 1079 HB2 GLU 138 HB2 GLU 138 0.992 -10.884 -17.887 1080 HB3 GLU 138 HB3 GLU 138 2.265 -10.600 -19.064 1081 HG2 GLU 138 HG2 GLU 138 3.583 -12.452 -17.999 1082 HG3 GLU 138 HG3 GLU 138 2.183 -12.797 -16.986 1083 H ILE 139 H ILE 139 3.905 -9.000 -19.145 1084 HA ILE 139 HA ILE 139 3.122 -6.218 -18.874 1085 HB ILE 139 HB ILE 139 4.153 -5.894 -21.115 1086 HG12 ILE 139 HG12 ILE 139 4.713 -8.900 -21.084 1087 HG13 ILE 139 HG13 ILE 139 3.532 -8.105 -22.117 1088 HG21 ILE 139 HG21 ILE 139 5.911 -7.491 -19.218 1089 HG22 ILE 139 HG22 ILE 139 5.582 -5.758 -19.121 1090 HG23 ILE 139 HG23 ILE 139 6.488 -6.410 -20.487 1091 HD11 ILE 139 HD11 ILE 139 6.525 -7.727 -22.215 1092 HD12 ILE 139 HD12 ILE 139 5.353 -6.867 -23.217 1093 HD13 ILE 139 HD13 ILE 139 5.523 -8.615 -23.365 1094 H LYS 140 H LYS 140 2.268 -5.393 -21.331 1095 HA LYS 140 HA LYS 140 0.455 -5.049 -22.643 1096 HB2 LYS 140 HB2 LYS 140 -0.198 -7.999 -22.221 1097 HB3 LYS 140 HB3 LYS 140 -0.871 -6.957 -23.472 1098 HG2 LYS 140 HG2 LYS 140 1.313 -6.745 -24.539 1099 HG3 LYS 140 HG3 LYS 140 2.069 -7.665 -23.230 1100 HD2 LYS 140 HD2 LYS 140 0.608 -9.638 -23.878 1101 HD3 LYS 140 HD3 LYS 140 0.063 -8.702 -25.275 1102 HE2 LYS 140 HE2 LYS 140 2.414 -8.552 -26.063 1103 HE3 LYS 140 HE3 LYS 140 2.919 -9.531 -24.683 1104 HZ1 LYS 140 HZ1 LYS 140 2.675 -10.859 -26.686 1105 HZ2 LYS 140 HZ2 LYS 140 1.051 -10.418 -26.815 1106 HZ3 LYS 140 HZ3 LYS 140 1.574 -11.342 -25.505 1107 H SER 141 H SER 141 0.382 -5.143 -19.596 1108 HA SER 141 HA SER 141 -2.500 -5.370 -19.042 1109 HB2 SER 141 HB2 SER 141 -0.157 -5.183 -17.094 1110 HB3 SER 141 HB3 SER 141 -1.832 -5.579 -16.702 1111 HG SER 141 HG SER 141 0.111 -7.125 -18.035 Start of MODEL 8 1 H1 MET 1 H1 MET 1 -50.985 41.192 -3.499 2 H2 MET 1 H2 MET 1 -50.636 39.593 -3.077 3 H3 MET 1 H3 MET 1 -50.821 40.009 -4.699 4 HA MET 1 HA MET 1 -48.868 41.381 -4.626 5 HB2 MET 1 HB2 MET 1 -48.586 40.361 -1.762 6 HB3 MET 1 HB3 MET 1 -47.383 41.317 -2.623 7 HG2 MET 1 HG2 MET 1 -48.563 42.778 -1.130 8 HG3 MET 1 HG3 MET 1 -49.058 43.176 -2.774 9 HE1 MET 1 HE1 MET 1 -50.253 40.150 -0.476 10 HE2 MET 1 HE2 MET 1 -51.705 40.851 0.236 11 HE3 MET 1 HE3 MET 1 -50.119 41.514 0.635 12 H GLY 2 H GLY 2 -46.677 40.440 -4.886 13 HA2 GLY 2 HA2 GLY 2 -46.709 37.464 -5.174 14 HA3 GLY 2 HA3 GLY 2 -46.085 38.548 -6.412 15 H HIS 3 H HIS 3 -45.078 36.493 -4.075 16 HA HIS 3 HA HIS 3 -43.001 37.999 -2.818 17 HB2 HIS 3 HB2 HIS 3 -42.215 35.915 -1.865 18 HB3 HIS 3 HB3 HIS 3 -43.965 35.941 -1.777 19 HD1 HIS 3 HD1 HIS 3 -45.228 34.045 -2.948 20 HD2 HIS 3 HD2 HIS 3 -41.130 33.958 -3.647 21 HE1 HIS 3 HE1 HIS 3 -44.756 31.814 -4.003 22 HE2 HIS 3 HE2 HIS 3 -42.321 31.885 -4.600 23 H HIS 4 H HIS 4 -40.880 38.206 -3.323 24 HA HIS 4 HA HIS 4 -39.651 36.654 -5.432 25 HB2 HIS 4 HB2 HIS 4 -38.859 38.600 -6.719 26 HB3 HIS 4 HB3 HIS 4 -40.613 38.526 -6.716 27 HD1 HIS 4 HD1 HIS 4 -41.876 40.425 -5.440 28 HD2 HIS 4 HD2 HIS 4 -37.750 40.922 -5.623 29 HE1 HIS 4 HE1 HIS 4 -41.443 42.820 -4.811 30 HE2 HIS 4 HE2 HIS 4 -38.945 43.026 -4.728 31 H HIS 5 H HIS 5 -37.824 35.972 -4.602 32 HA HIS 5 HA HIS 5 -35.967 37.727 -3.172 33 HB2 HIS 5 HB2 HIS 5 -37.073 35.148 -1.950 34 HB3 HIS 5 HB3 HIS 5 -35.568 35.873 -1.413 35 HD1 HIS 5 HD1 HIS 5 -35.724 37.867 0.172 36 HD2 HIS 5 HD2 HIS 5 -39.434 36.540 -1.158 37 HE1 HIS 5 HE1 HIS 5 -37.414 38.945 1.677 38 HE2 HIS 5 HE2 HIS 5 -39.622 37.997 0.966 39 H HIS 6 H HIS 6 -34.990 37.447 -5.288 40 HA HIS 6 HA HIS 6 -34.512 34.905 -6.471 41 HB2 HIS 6 HB2 HIS 6 -34.742 37.037 -7.763 42 HB3 HIS 6 HB3 HIS 6 -33.197 37.577 -7.124 43 HD1 HIS 6 HD1 HIS 6 -31.054 36.462 -8.104 44 HD2 HIS 6 HD2 HIS 6 -34.593 35.188 -9.874 45 HE1 HIS 6 HE1 HIS 6 -30.374 35.317 -10.234 46 HE2 HIS 6 HE2 HIS 6 -32.514 34.414 -11.192 47 H HIS 7 H HIS 7 -33.428 33.643 -4.975 48 HA HIS 7 HA HIS 7 -30.494 34.086 -4.763 49 HB2 HIS 7 HB2 HIS 7 -32.347 32.825 -2.684 50 HB3 HIS 7 HB3 HIS 7 -30.593 32.735 -2.611 51 HD1 HIS 7 HD1 HIS 7 -29.307 35.016 -2.228 52 HD2 HIS 7 HD2 HIS 7 -33.427 35.166 -1.645 53 HE1 HIS 7 HE1 HIS 7 -29.733 37.109 -0.915 54 HE2 HIS 7 HE2 HIS 7 -32.239 37.240 -0.687 55 H HIS 8 H HIS 8 -32.528 32.547 -6.576 56 HA HIS 8 HA HIS 8 -31.960 29.775 -6.311 57 HB2 HIS 8 HB2 HIS 8 -33.958 30.565 -7.493 58 HB3 HIS 8 HB3 HIS 8 -32.968 31.384 -8.691 59 HD1 HIS 8 HD1 HIS 8 -32.145 30.045 -10.651 60 HD2 HIS 8 HD2 HIS 8 -33.984 27.685 -7.761 61 HE1 HIS 8 HE1 HIS 8 -32.415 27.784 -11.696 62 HE2 HIS 8 HE2 HIS 8 -33.355 26.334 -9.874 63 H SER 9 H SER 9 -29.755 29.576 -6.074 64 HA SER 9 HA SER 9 -28.126 29.112 -8.331 65 HB2 SER 9 HB2 SER 9 -28.024 31.633 -8.334 66 HB3 SER 9 HB3 SER 9 -27.350 31.594 -6.706 67 HG SER 9 HG SER 9 -26.029 31.511 -8.938 68 H HIS 10 H HIS 10 -26.932 27.415 -7.580 69 HA HIS 10 HA HIS 10 -26.687 26.897 -4.738 70 HB2 HIS 10 HB2 HIS 10 -27.200 25.071 -6.366 71 HB3 HIS 10 HB3 HIS 10 -25.615 25.294 -7.099 72 HD1 HIS 10 HD1 HIS 10 -27.259 24.010 -3.953 73 HD2 HIS 10 HD2 HIS 10 -23.501 24.095 -5.716 74 HE1 HIS 10 HE1 HIS 10 -25.831 22.466 -2.582 75 HE2 HIS 10 HE2 HIS 10 -23.553 22.579 -3.636 76 H MET 11 H MET 11 -25.333 28.469 -3.950 77 HA MET 11 HA MET 11 -22.745 29.091 -5.077 78 HB2 MET 11 HB2 MET 11 -24.054 29.932 -2.453 79 HB3 MET 11 HB3 MET 11 -22.524 30.566 -3.045 80 HG2 MET 11 HG2 MET 11 -25.217 30.890 -4.387 81 HG3 MET 11 HG3 MET 11 -24.336 32.129 -3.487 82 HE1 MET 11 HE1 MET 11 -24.535 33.825 -5.587 83 HE2 MET 11 HE2 MET 11 -25.462 32.579 -6.425 84 HE3 MET 11 HE3 MET 11 -24.100 33.356 -7.230 85 H GLN 12 H GLN 12 -21.708 27.018 -5.058 86 HA GLN 12 HA GLN 12 -20.174 26.515 -2.664 87 HB2 GLN 12 HB2 GLN 12 -22.180 25.165 -2.137 88 HB3 GLN 12 HB3 GLN 12 -22.040 24.315 -3.670 89 HG2 GLN 12 HG2 GLN 12 -19.941 23.287 -2.952 90 HG3 GLN 12 HG3 GLN 12 -19.960 24.227 -1.458 91 HE21 GLN 12 HE21 GLN 12 -19.907 22.351 -0.181 92 HE22 GLN 12 HE22 GLN 12 -21.271 21.301 -0.014 93 H GLU 13 H GLU 13 -18.189 26.357 -3.456 94 HA GLU 13 HA GLU 13 -17.603 25.672 -6.187 95 HB2 GLU 13 HB2 GLU 13 -15.240 26.120 -5.563 96 HB3 GLU 13 HB3 GLU 13 -16.309 27.415 -5.043 97 HG2 GLU 13 HG2 GLU 13 -16.264 26.548 -2.736 98 HG3 GLU 13 HG3 GLU 13 -15.203 25.236 -3.249 99 H LEU 14 H LEU 14 -16.623 23.871 -6.993 100 HA LEU 14 HA LEU 14 -16.829 21.394 -5.516 101 HB2 LEU 14 HB2 LEU 14 -15.972 22.071 -8.357 102 HB3 LEU 14 HB3 LEU 14 -15.864 20.442 -7.720 103 HG LEU 14 HG LEU 14 -18.374 20.493 -7.336 104 HD11 LEU 14 HD11 LEU 14 -18.768 22.893 -7.286 105 HD12 LEU 14 HD12 LEU 14 -19.741 22.132 -8.543 106 HD13 LEU 14 HD13 LEU 14 -18.286 23.032 -8.978 107 HD21 LEU 14 HD21 LEU 14 -17.410 20.794 -10.195 108 HD22 LEU 14 HD22 LEU 14 -18.941 20.064 -9.702 109 HD23 LEU 14 HD23 LEU 14 -17.415 19.311 -9.237 110 HA PRO 15 HA PRO 15 -12.635 21.158 -4.014 111 HB2 PRO 15 HB2 PRO 15 -12.053 18.459 -4.158 112 HB3 PRO 15 HB3 PRO 15 -13.159 19.145 -2.955 113 HG2 PRO 15 HG2 PRO 15 -13.820 17.772 -5.540 114 HG3 PRO 15 HG3 PRO 15 -14.580 17.583 -3.943 115 HD2 PRO 15 HD2 PRO 15 -15.706 19.116 -5.877 116 HD3 PRO 15 HD3 PRO 15 -15.847 19.531 -4.153 117 H ASP 16 H ASP 16 -10.819 21.832 -5.018 118 HA ASP 16 HA ASP 16 -10.275 21.270 -7.817 119 HB2 ASP 16 HB2 ASP 16 -8.523 22.940 -7.627 120 HB3 ASP 16 HB3 ASP 16 -9.938 23.542 -6.774 121 H SER 17 H SER 17 -7.536 21.197 -7.979 122 HA SER 17 HA SER 17 -5.726 19.854 -8.070 123 HB2 SER 17 HB2 SER 17 -6.686 18.686 -5.421 124 HB3 SER 17 HB3 SER 17 -5.075 18.475 -6.116 125 HG SER 17 HG SER 17 -5.965 21.087 -5.866 126 H GLY 18 H GLY 18 -5.149 17.232 -7.864 127 HA2 GLY 18 HA2 GLY 18 -6.970 15.215 -8.107 128 HA3 GLY 18 HA3 GLY 18 -6.980 15.931 -9.714 129 H ALA 19 H ALA 19 -4.298 16.632 -9.966 130 HA ALA 19 HA ALA 19 -3.116 14.133 -10.708 131 HB1 ALA 19 HB1 ALA 19 -1.221 15.512 -11.487 132 HB2 ALA 19 HB2 ALA 19 -1.909 16.927 -10.684 133 HB3 ALA 19 HB3 ALA 19 -2.764 16.176 -12.032 134 H LEU 20 H LEU 20 -2.754 12.879 -8.948 135 HA LEU 20 HA LEU 20 -1.523 13.697 -6.506 136 HB2 LEU 20 HB2 LEU 20 -3.045 11.694 -6.836 137 HB3 LEU 20 HB3 LEU 20 -1.727 10.897 -7.672 138 HG LEU 20 HG LEU 20 -0.365 11.142 -5.501 139 HD11 LEU 20 HD11 LEU 20 -3.090 11.796 -4.355 140 HD12 LEU 20 HD12 LEU 20 -1.722 12.909 -4.484 141 HD13 LEU 20 HD13 LEU 20 -1.612 11.496 -3.439 142 HD21 LEU 20 HD21 LEU 20 -1.386 9.184 -4.448 143 HD22 LEU 20 HD22 LEU 20 -1.359 9.000 -6.202 144 HD23 LEU 20 HD23 LEU 20 -2.864 9.428 -5.384 145 H MET 21 H MET 21 0.576 14.379 -6.475 146 HA MET 21 HA MET 21 2.604 12.984 -8.135 147 HB2 MET 21 HB2 MET 21 2.740 15.743 -6.822 148 HB3 MET 21 HB3 MET 21 4.013 15.013 -7.788 149 HG2 MET 21 HG2 MET 21 2.382 14.996 -9.723 150 HG3 MET 21 HG3 MET 21 1.306 15.972 -8.727 151 HE1 MET 21 HE1 MET 21 3.610 17.795 -7.150 152 HE2 MET 21 HE2 MET 21 2.073 18.433 -7.747 153 HE3 MET 21 HE3 MET 21 3.588 19.209 -8.201 154 H LEU 22 H LEU 22 3.155 11.260 -6.826 155 HA LEU 22 HA LEU 22 3.550 11.452 -3.996 156 HB2 LEU 22 HB2 LEU 22 4.402 9.291 -5.980 157 HB3 LEU 22 HB3 LEU 22 4.480 9.121 -4.233 158 HG LEU 22 HG LEU 22 1.893 9.533 -5.794 159 HD11 LEU 22 HD11 LEU 22 1.432 7.162 -5.414 160 HD12 LEU 22 HD12 LEU 22 3.017 6.957 -4.662 161 HD13 LEU 22 HD13 LEU 22 2.897 7.381 -6.371 162 HD21 LEU 22 HD21 LEU 22 2.330 8.789 -2.877 163 HD22 LEU 22 HD22 LEU 22 0.767 8.867 -3.698 164 HD23 LEU 22 HD23 LEU 22 1.721 10.331 -3.485 165 H VAL 23 H VAL 23 5.284 12.252 -2.980 166 HA VAL 23 HA VAL 23 7.767 12.821 -4.521 167 HB VAL 23 HB VAL 23 8.015 14.876 -3.129 168 HG11 VAL 23 HG11 VAL 23 6.177 16.204 -4.139 169 HG12 VAL 23 HG12 VAL 23 5.330 14.711 -4.557 170 HG13 VAL 23 HG13 VAL 23 6.890 15.077 -5.298 171 HG21 VAL 23 HG21 VAL 23 6.833 14.165 -1.102 172 HG22 VAL 23 HG22 VAL 23 5.299 14.141 -1.972 173 HG23 VAL 23 HG23 VAL 23 6.138 15.671 -1.710 174 HA PRO 24 HA PRO 24 10.502 10.797 -1.553 175 HB2 PRO 24 HB2 PRO 24 11.616 13.552 -0.912 176 HB3 PRO 24 HB3 PRO 24 12.492 12.038 -1.246 177 HG2 PRO 24 HG2 PRO 24 12.316 13.857 -3.149 178 HG3 PRO 24 HG3 PRO 24 12.062 12.141 -3.554 179 HD2 PRO 24 HD2 PRO 24 10.010 14.322 -3.240 180 HD3 PRO 24 HD3 PRO 24 10.053 12.969 -4.394 181 H ASN 25 H ASN 25 8.930 10.187 -0.077 182 HA ASN 25 HA ASN 25 8.128 11.967 2.121 183 HB2 ASN 25 HB2 ASN 25 6.564 10.085 2.701 184 HB3 ASN 25 HB3 ASN 25 6.327 10.739 1.090 185 HD21 ASN 25 HD21 ASN 25 6.811 9.468 -0.704 186 HD22 ASN 25 HD22 ASN 25 7.072 7.761 -0.592 187 H ARG 26 H ARG 26 8.343 11.328 4.367 188 HA ARG 26 HA ARG 26 11.041 10.364 4.844 189 HB2 ARG 26 HB2 ARG 26 9.019 11.607 6.723 190 HB3 ARG 26 HB3 ARG 26 10.678 11.199 7.162 191 HG2 ARG 26 HG2 ARG 26 11.525 12.792 5.499 192 HG3 ARG 26 HG3 ARG 26 9.873 13.182 5.011 193 HD2 ARG 26 HD2 ARG 26 9.417 14.014 7.269 194 HD3 ARG 26 HD3 ARG 26 11.077 13.660 7.754 195 HE ARG 26 HE ARG 26 11.049 15.341 5.460 196 HH11 ARG 26 HH11 ARG 26 10.479 15.479 8.939 197 HH12 ARG 26 HH12 ARG 26 10.891 17.160 9.051 198 HH21 ARG 26 HH21 ARG 26 11.619 17.532 5.635 199 HH22 ARG 26 HH22 ARG 26 11.540 18.323 7.180 200 H GLN 27 H GLN 27 11.547 8.947 6.668 201 HA GLN 27 HA GLN 27 10.358 6.410 6.362 202 HB2 GLN 27 HB2 GLN 27 11.904 5.669 8.166 203 HB3 GLN 27 HB3 GLN 27 12.733 6.663 6.974 204 HG2 GLN 27 HG2 GLN 27 12.707 8.581 8.474 205 HG3 GLN 27 HG3 GLN 27 11.737 7.695 9.648 206 HE21 GLN 27 HE21 GLN 27 14.380 8.951 9.922 207 HE22 GLN 27 HE22 GLN 27 15.430 7.701 10.484 208 H LEU 28 H LEU 28 8.857 5.297 7.526 209 HA LEU 28 HA LEU 28 7.769 6.497 10.018 210 HB2 LEU 28 HB2 LEU 28 6.222 4.835 7.981 211 HB3 LEU 28 HB3 LEU 28 5.574 5.528 9.458 212 HG LEU 28 HG LEU 28 6.502 7.065 7.000 213 HD11 LEU 28 HD11 LEU 28 4.363 5.913 6.715 214 HD12 LEU 28 HD12 LEU 28 4.156 7.661 6.737 215 HD13 LEU 28 HD13 LEU 28 3.726 6.704 8.160 216 HD21 LEU 28 HD21 LEU 28 5.372 8.177 9.597 217 HD22 LEU 28 HD22 LEU 28 5.675 9.104 8.122 218 HD23 LEU 28 HD23 LEU 28 7.020 8.383 8.998 219 H THR 29 H THR 29 7.683 5.162 11.758 220 HA THR 29 HA THR 29 8.966 2.576 11.689 221 HB THR 29 HB THR 29 8.463 2.559 14.156 222 HG1 THR 29 HG1 THR 29 7.530 4.582 14.977 223 HG21 THR 29 HG21 THR 29 9.647 5.183 13.166 224 HG22 THR 29 HG22 THR 29 10.529 3.669 13.385 225 HG23 THR 29 HG23 THR 29 9.857 4.504 14.786 226 H ALA 30 H ALA 30 7.951 0.588 12.305 227 HA ALA 30 HA ALA 30 5.422 -0.006 11.262 228 HB1 ALA 30 HB1 ALA 30 7.013 -1.612 13.299 229 HB2 ALA 30 HB2 ALA 30 7.192 -1.701 11.545 230 HB3 ALA 30 HB3 ALA 30 5.686 -2.223 12.302 231 H ASP 31 H ASP 31 6.385 0.929 14.536 232 HA ASP 31 HA ASP 31 3.897 0.370 15.823 233 HB2 ASP 31 HB2 ASP 31 6.150 2.258 16.621 234 HB3 ASP 31 HB3 ASP 31 4.751 1.936 17.640 235 H TYR 32 H TYR 32 5.239 3.301 14.249 236 HA TYR 32 HA TYR 32 3.074 5.048 14.923 237 HB2 TYR 32 HB2 TYR 32 5.199 6.062 14.259 238 HB3 TYR 32 HB3 TYR 32 5.162 5.246 12.703 239 HD1 TYR 32 HD2 TYR 32 3.609 7.978 14.707 240 HD2 TYR 32 HD1 TYR 32 3.898 6.218 10.814 241 HE1 TYR 32 HE2 TYR 32 2.491 9.938 13.721 242 HE2 TYR 32 HE1 TYR 32 2.784 8.172 9.842 243 HH TYR 32 HH TYR 32 1.288 9.978 10.544 244 H PHE 33 H PHE 33 3.920 3.179 11.997 245 HA PHE 33 HA PHE 33 1.858 3.902 10.316 246 HB2 PHE 33 HB2 PHE 33 3.824 2.459 9.656 247 HB3 PHE 33 HB3 PHE 33 3.090 1.108 10.507 248 HD1 PHE 33 HD1 PHE 33 0.668 0.371 9.662 249 HD2 PHE 33 HD2 PHE 33 3.345 2.794 7.373 250 HE1 PHE 33 HE1 PHE 33 -0.565 -0.192 7.618 251 HE2 PHE 33 HE2 PHE 33 2.105 2.209 5.341 252 HZ PHE 33 HZ PHE 33 0.143 0.731 5.455 253 H GLU 34 H GLU 34 2.024 1.152 12.564 254 HA GLU 34 HA GLU 34 -0.537 0.096 12.267 255 HB2 GLU 34 HB2 GLU 34 1.322 -1.065 13.429 256 HB3 GLU 34 HB3 GLU 34 1.242 0.105 14.746 257 HG2 GLU 34 HG2 GLU 34 -1.140 -0.680 15.160 258 HG3 GLU 34 HG3 GLU 34 -0.844 -1.965 13.990 259 H LYS 35 H LYS 35 0.653 2.629 14.461 260 HA LYS 35 HA LYS 35 -1.655 2.894 16.077 261 HB2 LYS 35 HB2 LYS 35 0.673 3.747 16.610 262 HB3 LYS 35 HB3 LYS 35 0.409 5.056 15.463 263 HG2 LYS 35 HG2 LYS 35 -1.492 5.862 16.831 264 HG3 LYS 35 HG3 LYS 35 -1.228 4.547 17.977 265 HD2 LYS 35 HD2 LYS 35 0.691 6.819 17.358 266 HD3 LYS 35 HD3 LYS 35 -0.271 6.634 18.824 267 HE2 LYS 35 HE2 LYS 35 1.998 4.824 17.920 268 HE3 LYS 35 HE3 LYS 35 2.041 5.979 19.251 269 HZ1 LYS 35 HZ1 LYS 35 1.709 3.787 20.107 270 HZ2 LYS 35 HZ2 LYS 35 0.381 3.522 19.098 271 HZ3 LYS 35 HZ3 LYS 35 0.288 4.664 20.339 272 H THR 36 H THR 36 -0.516 4.794 13.293 273 HA THR 36 HA THR 36 -2.708 6.563 13.098 274 HB THR 36 HB THR 36 -0.892 5.780 10.774 275 HG1 THR 36 HG1 THR 36 0.699 6.421 12.004 276 HG21 THR 36 HG21 THR 36 -2.746 7.355 10.229 277 HG22 THR 36 HG22 THR 36 -1.168 8.133 10.078 278 HG23 THR 36 HG23 THR 36 -2.173 8.448 11.494 279 H TRP 37 H TRP 37 -1.995 3.404 11.696 280 HA TRP 37 HA TRP 37 -4.044 3.134 9.796 281 HB2 TRP 37 HB2 TRP 37 -2.073 1.620 9.960 282 HB3 TRP 37 HB3 TRP 37 -2.655 1.004 11.502 283 HD1 TRP 37 HD1 TRP 37 -4.473 -0.947 11.408 284 HE1 TRP 37 HE1 TRP 37 -5.479 -2.327 9.483 285 HE3 TRP 37 HE3 TRP 37 -2.807 1.828 7.457 286 HZ2 TRP 37 HZ2 TRP 37 -5.549 -2.257 6.670 287 HZ3 TRP 37 HZ3 TRP 37 -3.386 1.112 5.180 288 HH2 TRP 37 HH2 TRP 37 -4.732 -0.887 4.794 289 H LEU 38 H LEU 38 -3.898 2.104 13.219 290 HA LEU 38 HA LEU 38 -6.519 1.014 13.319 291 HB2 LEU 38 HB2 LEU 38 -4.684 1.868 15.593 292 HB3 LEU 38 HB3 LEU 38 -6.150 0.919 15.790 293 HG LEU 38 HG LEU 38 -3.650 0.031 14.300 294 HD11 LEU 38 HD11 LEU 38 -3.328 0.073 16.719 295 HD12 LEU 38 HD12 LEU 38 -3.333 -1.577 16.104 296 HD13 LEU 38 HD13 LEU 38 -4.753 -0.946 16.946 297 HD21 LEU 38 HD21 LEU 38 -6.225 -1.509 14.770 298 HD22 LEU 38 HD22 LEU 38 -4.734 -2.176 14.103 299 HD23 LEU 38 HD23 LEU 38 -5.606 -0.929 13.219 300 H SER 39 H SER 39 -5.229 4.229 13.848 301 HA SER 39 HA SER 39 -7.619 5.242 15.154 302 HB2 SER 39 HB2 SER 39 -6.448 7.420 15.134 303 HB3 SER 39 HB3 SER 39 -5.427 6.149 15.793 304 HG SER 39 HG SER 39 -5.227 6.687 13.056 305 H LEU 40 H LEU 40 -6.693 4.730 11.867 306 HA LEU 40 HA LEU 40 -8.592 6.766 10.860 307 HB2 LEU 40 HB2 LEU 40 -6.433 5.171 9.419 308 HB3 LEU 40 HB3 LEU 40 -7.559 6.247 8.610 309 HG LEU 40 HG LEU 40 -5.465 7.099 10.648 310 HD11 LEU 40 HD11 LEU 40 -5.529 7.488 7.643 311 HD12 LEU 40 HD12 LEU 40 -4.465 6.398 8.535 312 HD13 LEU 40 HD13 LEU 40 -4.317 8.139 8.753 313 HD21 LEU 40 HD21 LEU 40 -6.068 9.413 10.028 314 HD22 LEU 40 HD22 LEU 40 -7.421 8.557 10.763 315 HD23 LEU 40 HD23 LEU 40 -7.380 8.799 9.015 316 H LYS 41 H LYS 41 -9.853 6.067 8.947 317 HA LYS 41 HA LYS 41 -11.075 3.387 9.262 318 HB2 LYS 41 HB2 LYS 41 -12.264 5.975 8.160 319 HB3 LYS 41 HB3 LYS 41 -13.115 4.434 8.262 320 HG2 LYS 41 HG2 LYS 41 -12.938 4.506 10.724 321 HG3 LYS 41 HG3 LYS 41 -12.082 6.048 10.613 322 HD2 LYS 41 HD2 LYS 41 -14.104 7.041 9.516 323 HD3 LYS 41 HD3 LYS 41 -14.955 5.512 9.751 324 HE2 LYS 41 HE2 LYS 41 -14.700 5.759 12.199 325 HE3 LYS 41 HE3 LYS 41 -13.845 7.285 11.955 326 HZ1 LYS 41 HZ1 LYS 41 -16.145 7.678 12.498 327 HZ2 LYS 41 HZ2 LYS 41 -16.667 6.722 11.207 328 HZ3 LYS 41 HZ3 LYS 41 -15.854 8.177 10.916 329 H VAL 42 H VAL 42 -11.751 2.326 7.305 330 HA VAL 42 HA VAL 42 -9.869 2.316 5.203 331 HB VAL 42 HB VAL 42 -12.640 1.033 5.284 332 HG11 VAL 42 HG11 VAL 42 -11.799 1.146 2.968 333 HG12 VAL 42 HG12 VAL 42 -11.800 -0.520 3.551 334 HG13 VAL 42 HG13 VAL 42 -10.286 0.384 3.465 335 HG21 VAL 42 HG21 VAL 42 -11.226 0.278 7.147 336 HG22 VAL 42 HG22 VAL 42 -9.926 -0.131 6.021 337 HG23 VAL 42 HG23 VAL 42 -11.448 -1.028 5.975 338 H ALA 43 H ALA 43 -9.682 3.664 3.523 339 HA ALA 43 HA ALA 43 -11.861 5.454 2.736 340 HB1 ALA 43 HB1 ALA 43 -8.992 5.243 1.731 341 HB2 ALA 43 HB2 ALA 43 -9.584 6.374 2.951 342 HB3 ALA 43 HB3 ALA 43 -10.154 6.498 1.286 343 H HIS 44 H HIS 44 -9.745 2.976 1.322 344 HA HIS 44 HA HIS 44 -11.936 1.951 -0.353 345 HB2 HIS 44 HB2 HIS 44 -10.692 3.434 -1.847 346 HB3 HIS 44 HB3 HIS 44 -9.153 2.766 -1.326 347 HD2 HIS 44 HD2 HIS 44 -8.290 0.557 -2.728 348 HE1 HIS 44 HE1 HIS 44 -11.661 0.289 -5.264 349 HE2 HIS 44 HE2 HIS 44 -9.227 -0.341 -4.959 350 H GLN 45 H GLN 45 -11.777 -0.274 -0.727 351 HA GLN 45 HA GLN 45 -9.273 -1.666 -0.293 352 HB2 GLN 45 HB2 GLN 45 -10.316 -1.893 1.938 353 HB3 GLN 45 HB3 GLN 45 -11.799 -2.503 1.208 354 HG2 GLN 45 HG2 GLN 45 -10.591 -4.507 0.406 355 HG3 GLN 45 HG3 GLN 45 -9.095 -3.886 1.103 356 HE21 GLN 45 HE21 GLN 45 -12.268 -5.197 1.840 357 HE22 GLN 45 HE22 GLN 45 -11.910 -5.660 3.463 358 H GLN 46 H GLN 46 -9.003 -3.125 -1.814 359 HA GLN 46 HA GLN 46 -11.247 -4.174 -3.432 360 HB2 GLN 46 HB2 GLN 46 -9.996 -3.791 -5.489 361 HB3 GLN 46 HB3 GLN 46 -10.199 -2.257 -4.653 362 HG2 GLN 46 HG2 GLN 46 -7.889 -2.311 -3.887 363 HG3 GLN 46 HG3 GLN 46 -7.671 -3.930 -4.549 364 HE21 GLN 46 HE21 GLN 46 -7.561 -4.181 -6.814 365 HE22 GLN 46 HE22 GLN 46 -7.147 -2.865 -7.852 366 H VAL 47 H VAL 47 -10.377 -6.030 -4.856 367 HA VAL 47 HA VAL 47 -8.156 -7.522 -3.581 368 HB VAL 47 HB VAL 47 -10.756 -8.798 -4.569 369 HG11 VAL 47 HG11 VAL 47 -8.816 -10.283 -4.795 370 HG12 VAL 47 HG12 VAL 47 -9.909 -10.868 -3.540 371 HG13 VAL 47 HG13 VAL 47 -8.414 -10.042 -3.092 372 HG21 VAL 47 HG21 VAL 47 -11.220 -7.544 -2.504 373 HG22 VAL 47 HG22 VAL 47 -9.885 -8.357 -1.687 374 HG23 VAL 47 HG23 VAL 47 -11.299 -9.282 -2.201 375 H LEU 48 H LEU 48 -6.749 -8.543 -5.044 376 HA LEU 48 HA LEU 48 -7.360 -8.457 -7.932 377 HB2 LEU 48 HB2 LEU 48 -4.748 -7.713 -6.550 378 HB3 LEU 48 HB3 LEU 48 -4.879 -7.992 -8.280 379 HG LEU 48 HG LEU 48 -6.293 -5.778 -6.743 380 HD11 LEU 48 HD11 LEU 48 -4.774 -4.251 -7.903 381 HD12 LEU 48 HD12 LEU 48 -3.945 -5.619 -8.654 382 HD13 LEU 48 HD13 LEU 48 -3.881 -5.395 -6.903 383 HD21 LEU 48 HD21 LEU 48 -6.959 -4.917 -8.954 384 HD22 LEU 48 HD22 LEU 48 -7.640 -6.514 -8.651 385 HD23 LEU 48 HD23 LEU 48 -6.252 -6.339 -9.729 386 HA PRO 49 HA PRO 49 -6.278 -12.829 -7.478 387 HB2 PRO 49 HB2 PRO 49 -6.527 -13.600 -10.090 388 HB3 PRO 49 HB3 PRO 49 -7.935 -13.184 -9.090 389 HG2 PRO 49 HG2 PRO 49 -6.511 -11.494 -11.128 390 HG3 PRO 49 HG3 PRO 49 -8.259 -11.712 -10.874 391 HD2 PRO 49 HD2 PRO 49 -6.876 -9.539 -9.914 392 HD3 PRO 49 HD3 PRO 49 -8.332 -10.193 -9.123 393 H TRP 50 H TRP 50 -4.204 -13.291 -6.975 394 HA TRP 50 HA TRP 50 -2.017 -12.809 -8.938 395 HB2 TRP 50 HB2 TRP 50 -1.915 -11.821 -6.527 396 HB3 TRP 50 HB3 TRP 50 -1.642 -13.471 -5.981 397 HD1 TRP 50 HD1 TRP 50 0.610 -14.669 -7.494 398 HE1 TRP 50 HE1 TRP 50 2.914 -13.581 -7.834 399 HE3 TRP 50 HE3 TRP 50 -0.626 -9.780 -6.600 400 HZ2 TRP 50 HZ2 TRP 50 4.070 -11.028 -7.687 401 HZ3 TRP 50 HZ3 TRP 50 1.155 -8.075 -6.702 402 HH2 TRP 50 HH2 TRP 50 3.457 -8.693 -7.237 403 H ARG 51 H ARG 51 -1.056 -14.630 -9.831 404 HA ARG 51 HA ARG 51 -2.259 -17.221 -9.079 405 HB2 ARG 51 HB2 ARG 51 -0.857 -16.363 -11.647 406 HB3 ARG 51 HB3 ARG 51 -1.536 -17.962 -11.354 407 HG2 ARG 51 HG2 ARG 51 -3.110 -15.368 -11.432 408 HG3 ARG 51 HG3 ARG 51 -3.038 -16.572 -12.719 409 HD2 ARG 51 HD2 ARG 51 -4.170 -18.206 -11.346 410 HD3 ARG 51 HD3 ARG 51 -4.070 -17.159 -9.925 411 HE ARG 51 HE ARG 51 -5.444 -15.761 -11.907 412 HH11 ARG 51 HH11 ARG 51 -5.963 -18.651 -9.945 413 HH12 ARG 51 HH12 ARG 51 -7.690 -18.485 -9.972 414 HH21 ARG 51 HH21 ARG 51 -7.692 -15.571 -11.911 415 HH22 ARG 51 HH22 ARG 51 -8.666 -16.747 -11.084 416 H GLY 52 H GLY 52 -1.034 -18.174 -7.557 417 HA2 GLY 52 HA2 GLY 52 0.539 -19.604 -6.778 418 HA3 GLY 52 HA3 GLY 52 1.107 -19.750 -8.426 419 H GLU 53 H GLU 53 2.779 -18.396 -9.142 420 HA GLU 53 HA GLU 53 4.926 -18.174 -7.310 421 HB2 GLU 53 HB2 GLU 53 4.709 -17.064 -10.144 422 HB3 GLU 53 HB3 GLU 53 6.207 -17.285 -9.241 423 HG2 GLU 53 HG2 GLU 53 5.810 -19.736 -9.220 424 HG3 GLU 53 HG3 GLU 53 4.336 -19.491 -10.159 425 H PHE 54 H PHE 54 4.341 -16.710 -5.661 426 HA PHE 54 HA PHE 54 3.541 -14.022 -6.238 427 HB2 PHE 54 HB2 PHE 54 2.931 -15.239 -4.093 428 HB3 PHE 54 HB3 PHE 54 4.604 -15.045 -3.569 429 HD1 PHE 54 HD2 PHE 54 1.557 -13.195 -4.588 430 HD2 PHE 54 HD1 PHE 54 5.356 -12.942 -2.653 431 HE1 PHE 54 HE2 PHE 54 1.038 -10.914 -3.868 432 HE2 PHE 54 HE1 PHE 54 4.827 -10.650 -1.947 433 HZ PHE 54 HZ PHE 54 2.672 -9.634 -2.556 434 H HIS 55 H HIS 55 4.737 -12.123 -6.009 435 HA HIS 55 HA HIS 55 7.683 -12.404 -6.195 436 HB2 HIS 55 HB2 HIS 55 5.875 -10.623 -7.878 437 HB3 HIS 55 HB3 HIS 55 7.631 -10.641 -7.950 438 HD1 HIS 55 HD1 HIS 55 4.890 -11.805 -9.839 439 HD2 HIS 55 HD2 HIS 55 8.467 -13.564 -8.600 440 HE1 HIS 55 HE1 HIS 55 5.318 -13.695 -11.431 441 HE2 HIS 55 HE2 HIS 55 7.507 -14.691 -10.714 442 HA PRO 56 HA PRO 56 6.783 -9.142 -2.975 443 HB2 PRO 56 HB2 PRO 56 8.549 -9.965 -1.080 444 HB3 PRO 56 HB3 PRO 56 6.981 -10.776 -1.298 445 HG2 PRO 56 HG2 PRO 56 9.685 -11.623 -2.310 446 HG3 PRO 56 HG3 PRO 56 8.431 -12.599 -1.509 447 HD2 PRO 56 HD2 PRO 56 8.756 -12.549 -4.237 448 HD3 PRO 56 HD3 PRO 56 7.188 -12.848 -3.457 449 H ASP 57 H ASP 57 9.802 -10.369 -4.288 450 HA ASP 57 HA ASP 57 11.451 -8.105 -3.767 451 HB2 ASP 57 HB2 ASP 57 11.719 -10.261 -5.915 452 HB3 ASP 57 HB3 ASP 57 12.968 -9.084 -5.521 453 H THR 58 H THR 58 9.656 -9.191 -6.637 454 HA THR 58 HA THR 58 10.365 -7.010 -8.321 455 HB THR 58 HB THR 58 7.977 -8.896 -8.585 456 HG1 THR 58 HG1 THR 58 10.726 -9.203 -9.155 457 HG21 THR 58 HG21 THR 58 7.874 -6.990 -10.166 458 HG22 THR 58 HG22 THR 58 8.202 -8.503 -11.013 459 HG23 THR 58 HG23 THR 58 9.514 -7.359 -10.718 460 H LEU 59 H LEU 59 7.645 -7.700 -6.147 461 HA LEU 59 HA LEU 59 6.011 -5.480 -6.670 462 HB2 LEU 59 HB2 LEU 59 5.257 -7.402 -5.351 463 HB3 LEU 59 HB3 LEU 59 6.431 -7.039 -4.101 464 HG LEU 59 HG LEU 59 5.196 -4.970 -3.515 465 HD11 LEU 59 HD11 LEU 59 2.977 -4.491 -4.453 466 HD12 LEU 59 HD12 LEU 59 3.175 -5.797 -5.625 467 HD13 LEU 59 HD13 LEU 59 4.233 -4.384 -5.687 468 HD21 LEU 59 HD21 LEU 59 4.676 -7.068 -2.361 469 HD22 LEU 59 HD22 LEU 59 3.435 -7.437 -3.563 470 HD23 LEU 59 HD23 LEU 59 3.252 -6.042 -2.498 471 H GLN 60 H GLN 60 8.627 -5.908 -4.243 472 HA GLN 60 HA GLN 60 8.332 -3.378 -3.015 473 HB2 GLN 60 HB2 GLN 60 9.502 -5.413 -2.022 474 HB3 GLN 60 HB3 GLN 60 10.885 -5.051 -3.057 475 HG2 GLN 60 HG2 GLN 60 11.202 -2.898 -1.944 476 HG3 GLN 60 HG3 GLN 60 9.729 -3.138 -1.002 477 HE21 GLN 60 HE21 GLN 60 13.094 -3.902 -1.269 478 HE22 GLN 60 HE22 GLN 60 13.225 -4.794 0.205 479 H MET 61 H MET 61 10.481 -4.541 -5.600 480 HA MET 61 HA MET 61 12.019 -2.232 -5.987 481 HB2 MET 61 HB2 MET 61 11.248 -4.460 -7.918 482 HB3 MET 61 HB3 MET 61 12.388 -3.186 -8.332 483 HG2 MET 61 HG2 MET 61 13.887 -3.915 -6.545 484 HG3 MET 61 HG3 MET 61 12.739 -5.180 -6.087 485 HE1 MET 61 HE1 MET 61 14.765 -6.995 -6.343 486 HE2 MET 61 HE2 MET 61 15.857 -5.694 -6.828 487 HE3 MET 61 HE3 MET 61 15.719 -7.149 -7.816 488 H ALA 62 H ALA 62 8.913 -3.245 -7.444 489 HA ALA 62 HA ALA 62 8.614 -1.116 -9.292 490 HB1 ALA 62 HB1 ALA 62 6.240 -1.811 -9.383 491 HB2 ALA 62 HB2 ALA 62 6.474 -2.812 -7.946 492 HB3 ALA 62 HB3 ALA 62 7.317 -3.209 -9.445 493 H LEU 63 H LEU 63 7.590 -1.556 -5.925 494 HA LEU 63 HA LEU 63 6.071 0.760 -5.496 495 HB2 LEU 63 HB2 LEU 63 7.815 -0.803 -3.544 496 HB3 LEU 63 HB3 LEU 63 6.641 0.414 -3.058 497 HG LEU 63 HG LEU 63 5.901 -2.115 -4.569 498 HD11 LEU 63 HD11 LEU 63 5.737 -1.613 -1.594 499 HD12 LEU 63 HD12 LEU 63 6.821 -2.739 -2.415 500 HD13 LEU 63 HD13 LEU 63 5.081 -3.012 -2.448 501 HD21 LEU 63 HD21 LEU 63 3.608 -1.597 -3.907 502 HD22 LEU 63 HD22 LEU 63 4.297 -0.279 -4.852 503 HD23 LEU 63 HD23 LEU 63 4.150 -0.126 -3.098 504 H GLN 64 H GLN 64 9.576 0.201 -4.990 505 HA GLN 64 HA GLN 64 10.373 2.723 -4.161 506 HB2 GLN 64 HB2 GLN 64 11.928 0.845 -5.990 507 HB3 GLN 64 HB3 GLN 64 12.627 2.145 -5.030 508 HG2 GLN 64 HG2 GLN 64 11.149 -0.191 -3.807 509 HG3 GLN 64 HG3 GLN 64 12.881 -0.208 -4.111 510 HE21 GLN 64 HE21 GLN 64 13.175 -0.580 -1.870 511 HE22 GLN 64 HE22 GLN 64 13.053 0.701 -0.720 512 H VAL 65 H VAL 65 9.871 1.569 -7.552 513 HA VAL 65 HA VAL 65 10.928 3.806 -8.900 514 HB VAL 65 HB VAL 65 8.752 1.861 -9.806 515 HG11 VAL 65 HG11 VAL 65 9.347 2.475 -12.134 516 HG12 VAL 65 HG12 VAL 65 10.450 3.710 -11.524 517 HG13 VAL 65 HG13 VAL 65 8.716 3.861 -11.239 518 HG21 VAL 65 HG21 VAL 65 10.848 0.717 -9.201 519 HG22 VAL 65 HG22 VAL 65 11.752 1.766 -10.293 520 HG23 VAL 65 HG23 VAL 65 10.568 0.630 -10.942 521 H VAL 66 H VAL 66 7.782 3.254 -7.420 522 HA VAL 66 HA VAL 66 6.711 5.796 -8.500 523 HB VAL 66 HB VAL 66 4.470 4.922 -7.901 524 HG11 VAL 66 HG11 VAL 66 4.329 3.129 -9.598 525 HG12 VAL 66 HG12 VAL 66 6.089 2.981 -9.591 526 HG13 VAL 66 HG13 VAL 66 5.330 4.473 -10.155 527 HG21 VAL 66 HG21 VAL 66 5.899 2.368 -7.075 528 HG22 VAL 66 HG22 VAL 66 4.150 2.617 -7.114 529 HG23 VAL 66 HG23 VAL 66 5.145 3.516 -5.971 530 H ASN 67 H ASN 67 8.484 5.122 -5.927 531 HA ASN 67 HA ASN 67 8.895 6.092 -3.950 532 HB2 ASN 67 HB2 ASN 67 6.842 8.179 -4.798 533 HB3 ASN 67 HB3 ASN 67 8.015 8.375 -3.501 534 HD21 ASN 67 HD21 ASN 67 10.204 7.065 -5.025 535 HD22 ASN 67 HD22 ASN 67 10.670 8.210 -6.228 536 H ILE 68 H ILE 68 6.864 4.031 -3.983 537 HA ILE 68 HA ILE 68 5.239 4.654 -1.620 538 HB ILE 68 HB ILE 68 5.356 2.082 -3.265 539 HG12 ILE 68 HG12 ILE 68 4.319 3.939 -4.534 540 HG13 ILE 68 HG13 ILE 68 3.115 2.727 -4.119 541 HG21 ILE 68 HG21 ILE 68 3.342 1.393 -1.977 542 HG22 ILE 68 HG22 ILE 68 3.497 2.839 -0.974 543 HG23 ILE 68 HG23 ILE 68 4.754 1.599 -0.939 544 HD11 ILE 68 HD11 ILE 68 3.529 5.382 -2.760 545 HD12 ILE 68 HD12 ILE 68 2.327 4.172 -2.298 546 HD13 ILE 68 HD13 ILE 68 2.238 4.950 -3.877 547 H GLN 69 H GLN 69 6.433 4.646 0.122 548 HA GLN 69 HA GLN 69 8.849 3.277 0.637 549 HB2 GLN 69 HB2 GLN 69 8.252 5.415 1.655 550 HB3 GLN 69 HB3 GLN 69 6.841 4.704 2.430 551 HG2 GLN 69 HG2 GLN 69 8.220 3.457 3.949 552 HG3 GLN 69 HG3 GLN 69 9.683 3.902 3.067 553 HE21 GLN 69 HE21 GLN 69 7.146 5.091 5.196 554 HE22 GLN 69 HE22 GLN 69 7.980 6.523 5.686 555 H THR 70 H THR 70 9.226 1.274 1.551 556 HA THR 70 HA THR 70 6.910 -0.454 2.136 557 HB THR 70 HB THR 70 9.809 -1.274 1.568 558 HG1 THR 70 HG1 THR 70 8.451 -0.274 -0.197 559 HG21 THR 70 HG21 THR 70 8.862 -3.538 1.249 560 HG22 THR 70 HG22 THR 70 7.262 -2.950 1.700 561 HG23 THR 70 HG23 THR 70 8.563 -2.971 2.894 562 H ILE 71 H ILE 71 6.400 -0.345 4.233 563 HA ILE 71 HA ILE 71 8.302 0.257 6.346 564 HB ILE 71 HB ILE 71 5.324 -0.415 6.516 565 HG12 ILE 71 HG12 ILE 71 5.659 1.601 5.157 566 HG13 ILE 71 HG13 ILE 71 4.958 2.045 6.707 567 HG21 ILE 71 HG21 ILE 71 6.428 -0.763 8.682 568 HG22 ILE 71 HG22 ILE 71 5.363 0.640 8.751 569 HG23 ILE 71 HG23 ILE 71 7.109 0.866 8.624 570 HD11 ILE 71 HD11 ILE 71 7.196 2.755 7.476 571 HD12 ILE 71 HD12 ILE 71 6.621 3.641 6.065 572 HD13 ILE 71 HD13 ILE 71 7.833 2.377 5.873 573 H ALA 72 H ALA 72 6.083 -2.425 5.532 574 HA ALA 72 HA ALA 72 8.007 -4.366 6.629 575 HB1 ALA 72 HB1 ALA 72 6.345 -3.997 8.427 576 HB2 ALA 72 HB2 ALA 72 6.189 -5.618 7.753 577 HB3 ALA 72 HB3 ALA 72 5.028 -4.363 7.308 578 H MET 73 H MET 73 7.873 -6.401 5.633 579 HA MET 73 HA MET 73 5.771 -7.052 3.752 580 HB2 MET 73 HB2 MET 73 7.307 -5.765 2.282 581 HB3 MET 73 HB3 MET 73 8.658 -6.776 2.775 582 HG2 MET 73 HG2 MET 73 7.720 -8.696 1.658 583 HG3 MET 73 HG3 MET 73 6.214 -7.843 1.330 584 HE1 MET 73 HE1 MET 73 7.099 -4.999 0.268 585 HE2 MET 73 HE2 MET 73 5.910 -6.019 -0.547 586 HE3 MET 73 HE3 MET 73 7.247 -5.321 -1.460 587 H SER 74 H SER 74 5.379 -9.188 3.913 588 HA SER 74 HA SER 74 7.047 -10.866 5.592 589 HB2 SER 74 HB2 SER 74 4.425 -11.462 4.136 590 HB3 SER 74 HB3 SER 74 5.207 -12.541 5.295 591 HG SER 74 HG SER 74 4.618 -9.891 6.026 592 H ARG 75 H ARG 75 7.142 -13.298 4.646 593 HA ARG 75 HA ARG 75 9.009 -13.028 2.386 594 HB2 ARG 75 HB2 ARG 75 8.700 -15.225 4.490 595 HB3 ARG 75 HB3 ARG 75 9.976 -15.155 3.271 596 HG2 ARG 75 HG2 ARG 75 10.908 -13.151 4.254 597 HG3 ARG 75 HG3 ARG 75 9.534 -12.982 5.347 598 HD2 ARG 75 HD2 ARG 75 11.412 -13.814 6.596 599 HD3 ARG 75 HD3 ARG 75 10.219 -15.108 6.458 600 HE ARG 75 HE ARG 75 11.991 -15.456 4.355 601 HH11 ARG 75 HH11 ARG 75 12.212 -15.506 7.876 602 HH12 ARG 75 HH12 ARG 75 13.543 -16.616 7.884 603 HH21 ARG 75 HH21 ARG 75 13.738 -16.900 4.404 604 HH22 ARG 75 HH22 ARG 75 14.403 -17.401 5.929 605 H ALA 76 H ALA 76 9.040 -14.656 0.733 606 HA ALA 76 HA ALA 76 6.441 -15.129 -0.388 607 HB1 ALA 76 HB1 ALA 76 8.366 -14.529 -1.831 608 HB2 ALA 76 HB2 ALA 76 7.671 -16.073 -2.323 609 HB3 ALA 76 HB3 ALA 76 9.173 -16.037 -1.394 610 H GLY 77 H GLY 77 5.287 -16.981 -0.404 611 HA2 GLY 77 HA2 GLY 77 4.832 -19.267 -0.175 612 HA3 GLY 77 HA3 GLY 77 6.369 -19.512 0.636 613 H SER 78 H SER 78 5.611 -16.984 2.303 614 HA SER 78 HA SER 78 4.244 -18.468 4.423 615 HB2 SER 78 HB2 SER 78 5.427 -15.649 4.418 616 HB3 SER 78 HB3 SER 78 4.866 -16.536 5.839 617 HG SER 78 HG SER 78 6.709 -17.898 4.321 618 H ARG 79 H ARG 79 2.086 -18.447 4.385 619 HA ARG 79 HA ARG 79 0.640 -15.910 3.904 620 HB2 ARG 79 HB2 ARG 79 -0.091 -18.701 2.934 621 HB3 ARG 79 HB3 ARG 79 -1.346 -17.517 3.255 622 HG2 ARG 79 HG2 ARG 79 -1.010 -17.317 0.958 623 HG3 ARG 79 HG3 ARG 79 -0.086 -15.972 1.625 624 HD2 ARG 79 HD2 ARG 79 1.180 -17.026 -0.140 625 HD3 ARG 79 HD3 ARG 79 1.989 -17.335 1.399 626 HE ARG 79 HE ARG 79 0.442 -19.527 1.097 627 HH11 ARG 79 HH11 ARG 79 2.732 -17.998 -1.103 628 HH12 ARG 79 HH12 ARG 79 3.130 -19.488 -1.900 629 HH21 ARG 79 HH21 ARG 79 0.986 -21.469 0.037 630 HH22 ARG 79 HH22 ARG 79 2.145 -21.447 -1.252 631 HA PRO 80 HA PRO 80 -1.832 -15.309 4.347 632 HB2 PRO 80 HB2 PRO 80 -2.404 -13.717 6.803 633 HB3 PRO 80 HB3 PRO 80 -3.542 -14.441 5.651 634 HG2 PRO 80 HG2 PRO 80 -3.294 -15.417 8.130 635 HG3 PRO 80 HG3 PRO 80 -3.578 -16.489 6.739 636 HD2 PRO 80 HD2 PRO 80 -0.956 -15.876 8.120 637 HD3 PRO 80 HD3 PRO 80 -1.644 -17.457 7.663 638 H TRP 81 H TRP 81 -0.247 -14.307 3.246 639 HA TRP 81 HA TRP 81 2.042 -13.036 4.314 640 HB2 TRP 81 HB2 TRP 81 1.973 -14.058 2.059 641 HB3 TRP 81 HB3 TRP 81 0.780 -12.883 1.537 642 HD1 TRP 81 HD1 TRP 81 4.544 -13.252 2.167 643 HE1 TRP 81 HE1 TRP 81 5.761 -11.201 1.193 644 HE3 TRP 81 HE3 TRP 81 0.486 -10.431 0.893 645 HZ2 TRP 81 HZ2 TRP 81 5.089 -8.731 0.020 646 HZ3 TRP 81 HZ3 TRP 81 0.853 -8.258 -0.175 647 HH2 TRP 81 HH2 TRP 81 3.103 -7.417 -0.600 648 H LYS 82 H LYS 82 2.228 -10.979 5.172 649 HA LYS 82 HA LYS 82 0.300 -8.887 4.323 650 HB2 LYS 82 HB2 LYS 82 1.591 -9.412 7.019 651 HB3 LYS 82 HB3 LYS 82 1.013 -7.802 6.608 652 HG2 LYS 82 HG2 LYS 82 -0.698 -10.301 6.628 653 HG3 LYS 82 HG3 LYS 82 -0.615 -9.110 7.930 654 HD2 LYS 82 HD2 LYS 82 -1.412 -7.359 6.299 655 HD3 LYS 82 HD3 LYS 82 -1.611 -8.633 5.090 656 HE2 LYS 82 HE2 LYS 82 -3.753 -8.110 6.114 657 HE3 LYS 82 HE3 LYS 82 -3.270 -9.743 6.569 658 HZ1 LYS 82 HZ1 LYS 82 -2.535 -8.885 8.700 659 HZ2 LYS 82 HZ2 LYS 82 -4.163 -8.523 8.442 660 HZ3 LYS 82 HZ3 LYS 82 -2.993 -7.317 8.260 661 H ALA 83 H ALA 83 1.023 -6.858 3.867 662 HA ALA 83 HA ALA 83 3.811 -6.093 4.358 663 HB1 ALA 83 HB1 ALA 83 3.870 -6.887 2.017 664 HB2 ALA 83 HB2 ALA 83 4.087 -5.139 2.092 665 HB3 ALA 83 HB3 ALA 83 2.528 -5.813 1.603 666 H TYR 84 H TYR 84 3.921 -4.002 4.980 667 HA TYR 84 HA TYR 84 1.498 -2.308 4.836 668 HB2 TYR 84 HB2 TYR 84 3.676 -2.469 6.976 669 HB3 TYR 84 HB3 TYR 84 2.421 -1.228 6.938 670 HD1 TYR 84 HD1 TYR 84 -0.050 -2.036 6.941 671 HD2 TYR 84 HD2 TYR 84 3.197 -4.575 8.064 672 HE1 TYR 84 HE1 TYR 84 -1.618 -3.532 8.085 673 HE2 TYR 84 HE2 TYR 84 1.617 -6.072 9.217 674 HH TYR 84 HH TYR 84 -1.803 -5.756 8.851 675 H LEU 85 H LEU 85 1.709 -0.640 3.541 676 HA LEU 85 HA LEU 85 4.359 0.359 2.679 677 HB2 LEU 85 HB2 LEU 85 1.789 0.208 1.056 678 HB3 LEU 85 HB3 LEU 85 3.378 0.671 0.469 679 HG LEU 85 HG LEU 85 2.517 -2.117 1.330 680 HD11 LEU 85 HD11 LEU 85 3.123 -0.964 -1.411 681 HD12 LEU 85 HD12 LEU 85 1.550 -1.483 -0.795 682 HD13 LEU 85 HD13 LEU 85 2.822 -2.670 -1.063 683 HD21 LEU 85 HD21 LEU 85 4.737 -2.866 0.524 684 HD22 LEU 85 HD22 LEU 85 4.861 -1.793 1.915 685 HD23 LEU 85 HD23 LEU 85 5.221 -1.181 0.297 686 H SER 86 H SER 86 4.478 2.643 2.339 687 HA SER 86 HA SER 86 2.160 4.283 3.088 688 HB2 SER 86 HB2 SER 86 3.547 5.622 4.647 689 HB3 SER 86 HB3 SER 86 3.449 3.941 5.173 690 HG SER 86 HG SER 86 5.531 3.883 3.746 691 H ALA 87 H ALA 87 2.282 6.456 2.361 692 HA ALA 87 HA ALA 87 4.662 7.381 0.933 693 HB1 ALA 87 HB1 ALA 87 3.377 8.033 -1.081 694 HB2 ALA 87 HB2 ALA 87 1.934 7.254 -0.421 695 HB3 ALA 87 HB3 ALA 87 3.347 6.284 -0.845 696 H GLN 88 H GLN 88 4.440 9.706 0.366 697 HA GLN 88 HA GLN 88 2.158 11.171 1.410 698 HB2 GLN 88 HB2 GLN 88 3.765 11.230 3.319 699 HB3 GLN 88 HB3 GLN 88 5.005 11.877 2.254 700 HG2 GLN 88 HG2 GLN 88 3.559 13.899 1.888 701 HG3 GLN 88 HG3 GLN 88 2.434 13.257 3.086 702 HE21 GLN 88 HE21 GLN 88 4.010 15.746 3.101 703 HE22 GLN 88 HE22 GLN 88 4.950 15.696 4.548 704 H ASP 89 H ASP 89 1.546 12.438 -0.208 705 HA ASP 89 HA ASP 89 3.348 12.850 -2.488 706 HB2 ASP 89 HB2 ASP 89 1.416 13.083 -3.818 707 HB3 ASP 89 HB3 ASP 89 0.892 11.920 -2.609 708 H ASP 90 H ASP 90 2.460 15.137 -3.635 709 HA ASP 90 HA ASP 90 3.915 17.135 -2.251 710 HB2 ASP 90 HB2 ASP 90 3.909 16.992 -4.689 711 HB3 ASP 90 HB3 ASP 90 2.175 17.275 -4.747 712 H THR 91 H THR 91 0.443 16.434 -2.413 713 HA THR 91 HA THR 91 -0.388 18.993 -1.332 714 HB THR 91 HB THR 91 -2.628 18.114 -1.142 715 HG1 THR 91 HG1 THR 91 -1.837 15.510 -1.893 716 HG21 THR 91 HG21 THR 91 -1.945 18.633 -3.458 717 HG22 THR 91 HG22 THR 91 -3.107 17.306 -3.419 718 HG23 THR 91 HG23 THR 91 -1.396 16.962 -3.668 719 H GLY 92 H GLY 92 1.048 16.199 -0.037 720 HA2 GLY 92 HA2 GLY 92 2.004 16.135 2.091 721 HA3 GLY 92 HA3 GLY 92 0.798 17.265 2.682 722 H CYS 93 H CYS 93 -0.789 14.887 0.910 723 HA CYS 93 HA CYS 93 -2.014 13.786 3.228 724 HB2 CYS 93 HB2 CYS 93 -2.190 12.894 0.316 725 HB3 CYS 93 HB3 CYS 93 -3.207 12.274 1.619 726 HG CYS 93 HG CYS 93 -3.550 14.967 -0.203 727 H LEU 94 H LEU 94 -1.450 12.096 4.422 728 HA LEU 94 HA LEU 94 0.885 10.464 3.736 729 HB2 LEU 94 HB2 LEU 94 0.391 11.624 6.079 730 HB3 LEU 94 HB3 LEU 94 -0.675 10.264 6.351 731 HG LEU 94 HG LEU 94 1.525 9.935 7.450 732 HD11 LEU 94 HD11 LEU 94 1.210 7.967 5.169 733 HD12 LEU 94 HD12 LEU 94 0.310 7.936 6.685 734 HD13 LEU 94 HD13 LEU 94 2.053 7.701 6.699 735 HD21 LEU 94 HD21 LEU 94 2.742 10.023 4.667 736 HD22 LEU 94 HD22 LEU 94 3.595 9.673 6.174 737 HD23 LEU 94 HD23 LEU 94 2.903 11.271 5.906 738 H PHE 95 H PHE 95 0.545 8.478 2.870 739 HA PHE 95 HA PHE 95 -2.159 7.291 2.800 740 HB2 PHE 95 HB2 PHE 95 0.241 6.886 0.944 741 HB3 PHE 95 HB3 PHE 95 -1.309 6.067 0.776 742 HD1 PHE 95 HD1 PHE 95 -3.359 7.377 0.186 743 HD2 PHE 95 HD2 PHE 95 0.538 9.157 0.113 744 HE1 PHE 95 HE1 PHE 95 -4.219 9.220 -1.193 745 HE2 PHE 95 HE2 PHE 95 -0.343 10.999 -1.266 746 HZ PHE 95 HZ PHE 95 -2.717 11.027 -1.912 747 H LEU 96 H LEU 96 -2.455 5.362 3.789 748 HA LEU 96 HA LEU 96 -0.135 3.650 4.480 749 HB2 LEU 96 HB2 LEU 96 -2.797 3.863 5.944 750 HB3 LEU 96 HB3 LEU 96 -1.421 2.885 6.430 751 HG LEU 96 HG LEU 96 -1.401 5.927 6.364 752 HD11 LEU 96 HD11 LEU 96 -3.033 5.114 7.999 753 HD12 LEU 96 HD12 LEU 96 -1.654 5.891 8.765 754 HD13 LEU 96 HD13 LEU 96 -1.783 4.127 8.765 755 HD21 LEU 96 HD21 LEU 96 0.562 3.987 7.612 756 HD22 LEU 96 HD22 LEU 96 0.622 5.749 7.728 757 HD23 LEU 96 HD23 LEU 96 0.831 4.965 6.166 758 H THR 97 H THR 97 -0.227 1.693 3.536 759 HA THR 97 HA THR 97 -2.759 0.593 2.509 760 HB THR 97 HB THR 97 -0.064 0.409 1.087 761 HG1 THR 97 HG1 THR 97 -2.072 2.314 1.021 762 HG21 THR 97 HG21 THR 97 -1.384 -0.388 -0.849 763 HG22 THR 97 HG22 THR 97 -2.856 -0.319 0.120 764 HG23 THR 97 HG23 THR 97 -1.584 -1.474 0.530 765 H GLU 98 H GLU 98 -3.053 -1.577 2.736 766 HA GLU 98 HA GLU 98 -0.915 -3.254 3.925 767 HB2 GLU 98 HB2 GLU 98 -2.644 -2.746 5.603 768 HB3 GLU 98 HB3 GLU 98 -3.905 -3.293 4.503 769 HG2 GLU 98 HG2 GLU 98 -2.895 -5.588 4.586 770 HG3 GLU 98 HG3 GLU 98 -1.762 -4.994 5.805 771 H LEU 99 H LEU 99 -0.544 -5.090 2.790 772 HA LEU 99 HA LEU 99 -2.406 -5.914 0.635 773 HB2 LEU 99 HB2 LEU 99 0.621 -6.277 0.748 774 HB3 LEU 99 HB3 LEU 99 -0.428 -6.807 -0.556 775 HG LEU 99 HG LEU 99 0.239 -3.930 0.181 776 HD11 LEU 99 HD11 LEU 99 1.326 -3.876 -2.027 777 HD12 LEU 99 HD12 LEU 99 0.951 -5.586 -2.256 778 HD13 LEU 99 HD13 LEU 99 2.047 -5.086 -0.966 779 HD21 LEU 99 HD21 LEU 99 -1.602 -4.920 -2.025 780 HD22 LEU 99 HD22 LEU 99 -1.078 -3.249 -1.787 781 HD23 LEU 99 HD23 LEU 99 -2.091 -4.034 -0.578 782 H LEU 100 H LEU 100 -3.240 -7.898 0.919 783 HA LEU 100 HA LEU 100 -2.000 -9.799 2.824 784 HB2 LEU 100 HB2 LEU 100 -3.918 -8.835 3.931 785 HB3 LEU 100 HB3 LEU 100 -4.918 -9.015 2.500 786 HG LEU 100 HG LEU 100 -4.936 -11.481 2.789 787 HD11 LEU 100 HD11 LEU 100 -3.286 -11.024 5.284 788 HD12 LEU 100 HD12 LEU 100 -2.754 -11.823 3.803 789 HD13 LEU 100 HD13 LEU 100 -4.015 -12.555 4.790 790 HD21 LEU 100 HD21 LEU 100 -6.719 -10.183 3.842 791 HD22 LEU 100 HD22 LEU 100 -5.757 -10.012 5.314 792 HD23 LEU 100 HD23 LEU 100 -6.330 -11.606 4.810 793 H LEU 101 H LEU 101 -1.280 -11.521 1.611 794 HA LEU 101 HA LEU 101 -2.943 -12.479 -0.643 795 HB2 LEU 101 HB2 LEU 101 -0.485 -12.193 -1.096 796 HB3 LEU 101 HB3 LEU 101 -0.145 -13.367 0.161 797 HG LEU 101 HG LEU 101 -1.531 -15.055 -1.218 798 HD11 LEU 101 HD11 LEU 101 -2.717 -13.452 -2.646 799 HD12 LEU 101 HD12 LEU 101 -1.821 -14.629 -3.601 800 HD13 LEU 101 HD13 LEU 101 -1.193 -12.989 -3.412 801 HD21 LEU 101 HD21 LEU 101 0.897 -15.181 -1.105 802 HD22 LEU 101 HD22 LEU 101 1.041 -14.013 -2.418 803 HD23 LEU 101 HD23 LEU 101 0.330 -15.600 -2.723 804 H GLU 102 H GLU 102 -4.313 -14.058 -0.139 805 HA GLU 102 HA GLU 102 -4.610 -14.753 2.629 806 HB2 GLU 102 HB2 GLU 102 -6.226 -15.508 0.169 807 HB3 GLU 102 HB3 GLU 102 -6.738 -15.794 1.834 808 HG2 GLU 102 HG2 GLU 102 -6.713 -13.370 2.273 809 HG3 GLU 102 HG3 GLU 102 -6.183 -13.070 0.616 810 HA PRO 103 HA PRO 103 -2.613 -18.664 3.005 811 HB2 PRO 103 HB2 PRO 103 -4.322 -20.102 4.658 812 HB3 PRO 103 HB3 PRO 103 -3.256 -18.800 5.217 813 HG2 PRO 103 HG2 PRO 103 -6.172 -18.670 4.537 814 HG3 PRO 103 HG3 PRO 103 -5.299 -17.947 5.907 815 HD2 PRO 103 HD2 PRO 103 -5.982 -16.459 3.772 816 HD3 PRO 103 HD3 PRO 103 -4.444 -16.188 4.624 817 H GLY 104 H GLY 104 -6.058 -19.099 2.199 818 HA2 GLY 104 HA2 GLY 104 -5.339 -21.419 0.479 819 HA3 GLY 104 HA3 GLY 104 -6.800 -21.360 1.459 820 H ASN 105 H ASN 105 -5.485 -18.618 -0.341 821 HA ASN 105 HA ASN 105 -7.363 -18.951 -2.551 822 HB2 ASN 105 HB2 ASN 105 -8.725 -17.778 -0.814 823 HB3 ASN 105 HB3 ASN 105 -7.515 -16.500 -0.735 824 HD21 ASN 105 HD21 ASN 105 -9.001 -14.906 -1.369 825 HD22 ASN 105 HD22 ASN 105 -9.614 -14.800 -2.979 826 H SER 106 H SER 106 -6.554 -18.112 -4.402 827 HA SER 106 HA SER 106 -3.871 -16.962 -4.416 828 HB2 SER 106 HB2 SER 106 -5.684 -17.884 -6.700 829 HB3 SER 106 HB3 SER 106 -3.987 -17.418 -6.865 830 HG SER 106 HG SER 106 -3.523 -19.131 -5.362 831 H GLU 107 H GLU 107 -5.228 -15.044 -3.311 832 HA GLU 107 HA GLU 107 -5.537 -12.923 -5.289 833 HB2 GLU 107 HB2 GLU 107 -7.817 -13.765 -3.444 834 HB3 GLU 107 HB3 GLU 107 -7.726 -12.163 -4.163 835 HG2 GLU 107 HG2 GLU 107 -7.807 -13.160 -6.417 836 HG3 GLU 107 HG3 GLU 107 -7.890 -14.767 -5.702 837 H MET 108 H MET 108 -5.445 -10.840 -4.351 838 HA MET 108 HA MET 108 -4.188 -10.682 -1.686 839 HB2 MET 108 HB2 MET 108 -2.493 -10.225 -3.438 840 HB3 MET 108 HB3 MET 108 -3.552 -9.028 -4.176 841 HG2 MET 108 HG2 MET 108 -3.415 -7.718 -1.999 842 HG3 MET 108 HG3 MET 108 -2.154 -8.840 -1.491 843 HE1 MET 108 HE1 MET 108 0.258 -8.931 -2.530 844 HE2 MET 108 HE2 MET 108 0.737 -8.036 -3.971 845 HE3 MET 108 HE3 MET 108 -0.434 -9.348 -4.101 846 H GLN 109 H GLN 109 -5.071 -9.138 -0.336 847 HA GLN 109 HA GLN 109 -7.291 -7.469 -1.316 848 HB2 GLN 109 HB2 GLN 109 -6.516 -8.343 1.506 849 HB3 GLN 109 HB3 GLN 109 -7.827 -7.217 1.153 850 HG2 GLN 109 HG2 GLN 109 -8.967 -8.986 -0.163 851 HG3 GLN 109 HG3 GLN 109 -7.664 -10.106 0.238 852 HE21 GLN 109 HE21 GLN 109 -9.208 -11.514 1.202 853 HE22 GLN 109 HE22 GLN 109 -9.870 -11.182 2.762 854 H ILE 110 H ILE 110 -6.886 -5.393 -1.575 855 HA ILE 110 HA ILE 110 -4.416 -4.140 -0.547 856 HB ILE 110 HB ILE 110 -6.185 -3.280 -2.901 857 HG12 ILE 110 HG12 ILE 110 -4.035 -3.781 -4.285 858 HG13 ILE 110 HG13 ILE 110 -3.484 -4.684 -2.885 859 HG21 ILE 110 HG21 ILE 110 -5.190 -1.332 -1.800 860 HG22 ILE 110 HG22 ILE 110 -4.430 -1.582 -3.373 861 HG23 ILE 110 HG23 ILE 110 -3.586 -2.064 -1.901 862 HD11 ILE 110 HD11 ILE 110 -5.963 -5.284 -4.500 863 HD12 ILE 110 HD12 ILE 110 -5.371 -6.211 -3.120 864 HD13 ILE 110 HD13 ILE 110 -4.419 -6.133 -4.600 865 H SER 111 H SER 111 -4.841 -2.869 1.223 866 HA SER 111 HA SER 111 -7.519 -1.650 1.578 867 HB2 SER 111 HB2 SER 111 -5.450 -2.335 3.721 868 HB3 SER 111 HB3 SER 111 -7.117 -1.822 3.987 869 HG SER 111 HG SER 111 -7.839 -3.767 3.365 870 H VAL 112 H VAL 112 -7.378 0.430 0.915 871 HA VAL 112 HA VAL 112 -4.926 2.020 1.340 872 HB VAL 112 HB VAL 112 -7.369 2.711 -0.368 873 HG11 VAL 112 HG11 VAL 112 -5.896 4.439 -1.372 874 HG12 VAL 112 HG12 VAL 112 -4.620 4.004 -0.233 875 HG13 VAL 112 HG13 VAL 112 -6.132 4.697 0.360 876 HG21 VAL 112 HG21 VAL 112 -6.009 2.126 -2.347 877 HG22 VAL 112 HG22 VAL 112 -6.264 0.725 -1.301 878 HG23 VAL 112 HG23 VAL 112 -4.710 1.563 -1.290 879 H LYS 113 H LYS 113 -4.939 3.346 3.066 880 HA LYS 113 HA LYS 113 -7.357 4.754 3.971 881 HB2 LYS 113 HB2 LYS 113 -5.413 3.222 5.782 882 HB3 LYS 113 HB3 LYS 113 -6.745 4.231 6.344 883 HG2 LYS 113 HG2 LYS 113 -8.369 2.686 5.393 884 HG3 LYS 113 HG3 LYS 113 -7.083 1.723 4.672 885 HD2 LYS 113 HD2 LYS 113 -8.047 0.715 6.744 886 HD3 LYS 113 HD3 LYS 113 -6.311 1.003 6.840 887 HE2 LYS 113 HE2 LYS 113 -6.672 2.966 8.215 888 HE3 LYS 113 HE3 LYS 113 -8.421 2.825 8.016 889 HZ1 LYS 113 HZ1 LYS 113 -7.693 1.928 10.125 890 HZ2 LYS 113 HZ2 LYS 113 -6.673 0.833 9.336 891 HZ3 LYS 113 HZ3 LYS 113 -8.347 0.711 9.154 892 H GLN 114 H GLN 114 -6.632 6.832 3.455 893 HA GLN 114 HA GLN 114 -3.946 7.637 4.385 894 HB2 GLN 114 HB2 GLN 114 -4.211 9.621 2.913 895 HB3 GLN 114 HB3 GLN 114 -4.272 8.106 2.032 896 HG2 GLN 114 HG2 GLN 114 -6.845 9.433 2.828 897 HG3 GLN 114 HG3 GLN 114 -5.930 10.082 1.477 898 HE21 GLN 114 HE21 GLN 114 -7.593 9.630 0.052 899 HE22 GLN 114 HE22 GLN 114 -7.980 8.033 -0.466 900 H ASN 115 H ASN 115 -3.769 9.833 5.291 901 HA ASN 115 HA ASN 115 -5.255 9.952 7.699 902 HB2 ASN 115 HB2 ASN 115 -3.860 11.797 8.328 903 HB3 ASN 115 HB3 ASN 115 -2.845 10.717 7.393 904 HD21 ASN 115 HD21 ASN 115 -3.657 11.526 4.755 905 HD22 ASN 115 HD22 ASN 115 -3.129 13.155 4.528 906 H GLU 116 H GLU 116 -5.465 11.745 4.686 907 HA GLU 116 HA GLU 116 -8.107 12.805 5.481 908 HB2 GLU 116 HB2 GLU 116 -6.022 14.224 3.742 909 HB3 GLU 116 HB3 GLU 116 -7.677 14.778 3.993 910 HG2 GLU 116 HG2 GLU 116 -7.133 14.939 6.463 911 HG3 GLU 116 HG3 GLU 116 -5.447 14.639 6.035 912 H ALA 117 H ALA 117 -9.434 11.448 4.349 913 HA ALA 117 HA ALA 117 -8.619 10.341 1.776 914 HB1 ALA 117 HB1 ALA 117 -10.701 9.009 1.969 915 HB2 ALA 117 HB2 ALA 117 -11.143 9.909 3.423 916 HB3 ALA 117 HB3 ALA 117 -9.713 8.878 3.426 917 H ARG 118 H ARG 118 -8.814 11.734 0.126 918 HA ARG 118 HA ARG 118 -11.459 12.971 -0.386 919 HB2 ARG 118 HB2 ARG 118 -8.824 13.550 -1.817 920 HB3 ARG 118 HB3 ARG 118 -10.373 14.300 -2.157 921 HG2 ARG 118 HG2 ARG 118 -9.189 15.926 -1.019 922 HG3 ARG 118 HG3 ARG 118 -10.247 15.255 0.230 923 HD2 ARG 118 HD2 ARG 118 -8.368 13.918 1.109 924 HD3 ARG 118 HD3 ARG 118 -7.316 14.529 -0.172 925 HE ARG 118 HE ARG 118 -8.424 16.124 2.066 926 HH11 ARG 118 HH11 ARG 118 -6.005 15.753 -0.467 927 HH12 ARG 118 HH12 ARG 118 -5.066 17.104 0.073 928 HH21 ARG 118 HH21 ARG 118 -7.144 17.873 2.772 929 HH22 ARG 118 HH22 ARG 118 -5.710 18.296 1.899 930 H THR 119 H THR 119 -12.316 12.622 -2.485 931 HA THR 119 HA THR 119 -12.070 10.037 -3.574 932 HB THR 119 HB THR 119 -13.298 12.525 -4.847 933 HG1 THR 119 HG1 THR 119 -13.987 11.184 -2.635 934 HG21 THR 119 HG21 THR 119 -14.768 10.965 -6.063 935 HG22 THR 119 HG22 THR 119 -13.943 9.586 -5.333 936 HG23 THR 119 HG23 THR 119 -13.078 10.637 -6.458 937 H GLU 120 H GLU 120 -10.377 13.081 -4.303 938 HA GLU 120 HA GLU 120 -9.421 12.195 -6.877 939 HB2 GLU 120 HB2 GLU 120 -8.776 14.337 -7.282 940 HB3 GLU 120 HB3 GLU 120 -9.816 14.700 -5.921 941 HG2 GLU 120 HG2 GLU 120 -6.847 14.313 -5.539 942 HG3 GLU 120 HG3 GLU 120 -7.501 15.848 -6.103 943 H THR 121 H THR 121 -7.809 12.729 -3.690 944 HA THR 121 HA THR 121 -5.289 11.680 -4.394 945 HB THR 121 HB THR 121 -5.275 11.034 -1.773 946 HG1 THR 121 HG1 THR 121 -7.219 13.068 -1.688 947 HG21 THR 121 HG21 THR 121 -3.898 12.844 -2.690 948 HG22 THR 121 HG22 THR 121 -4.669 13.356 -1.185 949 HG23 THR 121 HG23 THR 121 -5.303 13.910 -2.735 950 H LEU 122 H LEU 122 -8.219 10.096 -3.154 951 HA LEU 122 HA LEU 122 -7.170 7.552 -2.694 952 HB2 LEU 122 HB2 LEU 122 -9.375 8.423 -1.862 953 HB3 LEU 122 HB3 LEU 122 -10.024 8.222 -3.482 954 HG LEU 122 HG LEU 122 -9.665 5.767 -3.328 955 HD11 LEU 122 HD11 LEU 122 -9.054 4.767 -1.131 956 HD12 LEU 122 HD12 LEU 122 -8.632 6.374 -0.545 957 HD13 LEU 122 HD13 LEU 122 -7.741 5.657 -1.890 958 HD21 LEU 122 HD21 LEU 122 -11.420 5.282 -1.672 959 HD22 LEU 122 HD22 LEU 122 -11.829 6.691 -2.652 960 HD23 LEU 122 HD23 LEU 122 -11.242 6.909 -1.001 961 H ASN 123 H ASN 123 -9.014 8.721 -5.584 962 HA ASN 123 HA ASN 123 -8.982 6.199 -6.920 963 HB2 ASN 123 HB2 ASN 123 -9.670 9.022 -7.818 964 HB3 ASN 123 HB3 ASN 123 -9.631 7.704 -8.991 965 HD21 ASN 123 HD21 ASN 123 -11.843 9.388 -7.805 966 HD22 ASN 123 HD22 ASN 123 -13.031 8.231 -7.332 967 H SER 124 H SER 124 -6.955 9.059 -7.114 968 HA SER 124 HA SER 124 -5.315 8.272 -9.279 969 HB2 SER 124 HB2 SER 124 -4.694 10.071 -6.907 970 HB3 SER 124 HB3 SER 124 -3.770 10.007 -8.411 971 HG SER 124 HG SER 124 -5.782 11.553 -7.939 972 H PHE 125 H PHE 125 -5.092 7.690 -5.764 973 HA PHE 125 HA PHE 125 -2.504 6.477 -5.816 974 HB2 PHE 125 HB2 PHE 125 -3.576 7.588 -3.801 975 HB3 PHE 125 HB3 PHE 125 -4.620 6.181 -3.636 976 HD1 PHE 125 HD2 PHE 125 -1.014 7.200 -3.740 977 HD2 PHE 125 HD1 PHE 125 -3.848 4.301 -2.377 978 HE1 PHE 125 HE2 PHE 125 0.736 6.100 -2.412 979 HE2 PHE 125 HE1 PHE 125 -2.089 3.212 -1.056 980 HZ PHE 125 HZ PHE 125 0.203 4.105 -1.067 981 H ILE 126 H ILE 126 -5.815 5.262 -5.951 982 HA ILE 126 HA ILE 126 -5.405 2.485 -5.766 983 HB ILE 126 HB ILE 126 -7.513 4.010 -7.382 984 HG12 ILE 126 HG12 ILE 126 -7.866 2.697 -4.652 985 HG13 ILE 126 HG13 ILE 126 -7.512 4.404 -4.865 986 HG21 ILE 126 HG21 ILE 126 -8.858 1.931 -7.374 987 HG22 ILE 126 HG22 ILE 126 -7.529 1.076 -6.593 988 HG23 ILE 126 HG23 ILE 126 -7.327 1.708 -8.227 989 HD11 ILE 126 HD11 ILE 126 -9.971 2.985 -5.889 990 HD12 ILE 126 HD12 ILE 126 -9.611 4.704 -6.072 991 HD13 ILE 126 HD13 ILE 126 -9.877 4.025 -4.468 992 H SER 127 H SER 127 -5.443 4.700 -8.578 993 HA SER 127 HA SER 127 -4.995 2.669 -10.528 994 HB2 SER 127 HB2 SER 127 -4.606 4.643 -12.082 995 HB3 SER 127 HB3 SER 127 -6.153 4.639 -11.240 996 HG SER 127 HG SER 127 -3.861 6.100 -10.393 997 H VAL 128 H VAL 128 -2.778 4.726 -8.628 998 HA VAL 128 HA VAL 128 -0.375 4.088 -9.973 999 HB VAL 128 HB VAL 128 -0.836 4.702 -7.011 1000 HG11 VAL 128 HG11 VAL 128 1.825 4.489 -8.475 1001 HG12 VAL 128 HG12 VAL 128 1.252 3.412 -7.199 1002 HG13 VAL 128 HG13 VAL 128 1.618 5.100 -6.832 1003 HG21 VAL 128 HG21 VAL 128 0.253 6.436 -9.258 1004 HG22 VAL 128 HG22 VAL 128 0.092 6.934 -7.571 1005 HG23 VAL 128 HG23 VAL 128 -1.347 6.576 -8.528 1006 H LEU 129 H LEU 129 -1.873 2.558 -7.087 1007 HA LEU 129 HA LEU 129 -0.184 0.360 -6.811 1008 HB2 LEU 129 HB2 LEU 129 -3.144 0.525 -6.095 1009 HB3 LEU 129 HB3 LEU 129 -2.027 -0.698 -5.501 1010 HG LEU 129 HG LEU 129 -1.834 2.279 -4.912 1011 HD11 LEU 129 HD11 LEU 129 -2.720 0.009 -3.117 1012 HD12 LEU 129 HD12 LEU 129 -3.755 1.258 -3.813 1013 HD13 LEU 129 HD13 LEU 129 -2.517 1.697 -2.640 1014 HD21 LEU 129 HD21 LEU 129 -0.158 -0.014 -3.825 1015 HD22 LEU 129 HD22 LEU 129 -0.096 1.663 -3.271 1016 HD23 LEU 129 HD23 LEU 129 0.392 1.264 -4.915 1017 H GLU 130 H GLU 130 -2.991 0.761 -8.920 1018 HA GLU 130 HA GLU 130 -3.267 -1.938 -9.762 1019 HB2 GLU 130 HB2 GLU 130 -4.099 0.670 -11.100 1020 HB3 GLU 130 HB3 GLU 130 -4.503 -0.915 -11.754 1021 HG2 GLU 130 HG2 GLU 130 -5.301 -0.059 -8.965 1022 HG3 GLU 130 HG3 GLU 130 -6.284 0.307 -10.368 1023 H THR 131 H THR 131 -1.401 0.825 -11.074 1024 HA THR 131 HA THR 131 -0.296 -0.554 -13.295 1025 HB THR 131 HB THR 131 0.994 1.778 -11.811 1026 HG1 THR 131 HG1 THR 131 -0.592 2.942 -12.564 1027 HG21 THR 131 HG21 THR 131 2.479 0.735 -13.510 1028 HG22 THR 131 HG22 THR 131 1.953 2.340 -14.025 1029 HG23 THR 131 HG23 THR 131 1.204 0.903 -14.721 1030 H VAL 132 H VAL 132 0.768 -0.200 -9.929 1031 HA VAL 132 HA VAL 132 3.399 -1.223 -10.213 1032 HB VAL 132 HB VAL 132 1.628 -1.052 -7.726 1033 HG11 VAL 132 HG11 VAL 132 3.706 -1.272 -6.401 1034 HG12 VAL 132 HG12 VAL 132 4.628 -1.538 -7.875 1035 HG13 VAL 132 HG13 VAL 132 3.423 -2.721 -7.369 1036 HG21 VAL 132 HG21 VAL 132 2.102 1.128 -8.784 1037 HG22 VAL 132 HG22 VAL 132 3.831 0.789 -8.722 1038 HG23 VAL 132 HG23 VAL 132 2.918 0.995 -7.224 1039 H ILE 133 H ILE 133 0.470 -2.767 -8.852 1040 HA ILE 133 HA ILE 133 1.636 -5.361 -8.557 1041 HB ILE 133 HB ILE 133 -1.281 -4.451 -8.512 1042 HG12 ILE 133 HG12 ILE 133 0.660 -5.082 -6.233 1043 HG13 ILE 133 HG13 ILE 133 0.153 -3.472 -6.726 1044 HG21 ILE 133 HG21 ILE 133 -0.178 -7.152 -7.662 1045 HG22 ILE 133 HG22 ILE 133 -1.208 -6.853 -9.061 1046 HG23 ILE 133 HG23 ILE 133 -1.840 -6.605 -7.434 1047 HD11 ILE 133 HD11 ILE 133 -1.605 -5.601 -5.520 1048 HD12 ILE 133 HD12 ILE 133 -2.146 -4.010 -6.063 1049 HD13 ILE 133 HD13 ILE 133 -1.001 -4.145 -4.728 1050 H GLY 134 H GLY 134 -0.391 -3.810 -10.988 1051 HA2 GLY 134 HA2 GLY 134 -1.049 -5.932 -12.646 1052 HA3 GLY 134 HA3 GLY 134 -0.887 -4.261 -13.152 1053 H THR 135 H THR 135 1.824 -3.766 -12.868 1054 HA THR 135 HA THR 135 2.783 -4.821 -15.316 1055 HB THR 135 HB THR 135 3.417 -2.556 -14.441 1056 HG1 THR 135 HG1 THR 135 5.137 -4.403 -15.561 1057 HG21 THR 135 HG21 THR 135 5.329 -2.335 -12.887 1058 HG22 THR 135 HG22 THR 135 5.320 -4.079 -12.621 1059 HG23 THR 135 HG23 THR 135 3.949 -3.101 -12.098 1060 H ILE 136 H ILE 136 3.015 -6.033 -12.103 1061 HA ILE 136 HA ILE 136 5.444 -7.595 -12.402 1062 HB ILE 136 HB ILE 136 3.190 -7.841 -10.353 1063 HG12 ILE 136 HG12 ILE 136 5.858 -6.424 -9.950 1064 HG13 ILE 136 HG13 ILE 136 4.398 -5.581 -10.454 1065 HG21 ILE 136 HG21 ILE 136 4.855 -9.021 -8.937 1066 HG22 ILE 136 HG22 ILE 136 6.015 -8.967 -10.263 1067 HG23 ILE 136 HG23 ILE 136 4.523 -9.897 -10.434 1068 HD11 ILE 136 HD11 ILE 136 3.281 -6.265 -8.400 1069 HD12 ILE 136 HD12 ILE 136 4.753 -5.354 -8.079 1070 HD13 ILE 136 HD13 ILE 136 4.743 -7.106 -7.876 1071 H GLU 137 H GLU 137 1.934 -8.186 -12.552 1072 HA GLU 137 HA GLU 137 2.335 -11.031 -13.138 1073 HB2 GLU 137 HB2 GLU 137 -0.177 -9.375 -12.629 1074 HB3 GLU 137 HB3 GLU 137 -0.195 -11.092 -13.017 1075 HG2 GLU 137 HG2 GLU 137 1.076 -9.831 -10.565 1076 HG3 GLU 137 HG3 GLU 137 -0.432 -10.746 -10.609 1077 H GLU 138 H GLU 138 1.996 -11.929 -15.079 1078 HA GLU 138 HA GLU 138 1.089 -10.233 -17.352 1079 HB2 GLU 138 HB2 GLU 138 2.547 -11.674 -18.799 1080 HB3 GLU 138 HB3 GLU 138 3.446 -10.699 -17.644 1081 HG2 GLU 138 HG2 GLU 138 3.864 -12.619 -16.235 1082 HG3 GLU 138 HG3 GLU 138 2.782 -13.622 -17.197 1083 H ILE 139 H ILE 139 0.229 -12.714 -15.370 1084 HA ILE 139 HA ILE 139 -0.971 -14.608 -17.111 1085 HB ILE 139 HB ILE 139 -2.378 -15.204 -14.999 1086 HG12 ILE 139 HG12 ILE 139 -1.198 -14.387 -12.811 1087 HG13 ILE 139 HG13 ILE 139 -0.549 -13.072 -13.777 1088 HG21 ILE 139 HG21 ILE 139 -0.434 -16.466 -15.749 1089 HG22 ILE 139 HG22 ILE 139 -0.467 -16.379 -13.987 1090 HG23 ILE 139 HG23 ILE 139 0.649 -15.359 -14.899 1091 HD11 ILE 139 HD11 ILE 139 -3.475 -13.627 -13.255 1092 HD12 ILE 139 HD12 ILE 139 -2.839 -12.282 -14.206 1093 HD13 ILE 139 HD13 ILE 139 -2.490 -12.386 -12.479 1094 H LYS 140 H LYS 140 -3.361 -15.075 -17.091 1095 HA LYS 140 HA LYS 140 -5.455 -14.612 -17.804 1096 HB2 LYS 140 HB2 LYS 140 -5.473 -13.327 -15.553 1097 HB3 LYS 140 HB3 LYS 140 -5.242 -11.865 -16.500 1098 HG2 LYS 140 HG2 LYS 140 -7.383 -12.373 -17.707 1099 HG3 LYS 140 HG3 LYS 140 -7.612 -13.759 -16.644 1100 HD2 LYS 140 HD2 LYS 140 -8.972 -12.011 -15.761 1101 HD3 LYS 140 HD3 LYS 140 -7.581 -12.124 -14.686 1102 HE2 LYS 140 HE2 LYS 140 -7.803 -10.087 -16.926 1103 HE3 LYS 140 HE3 LYS 140 -8.340 -9.774 -15.281 1104 HZ1 LYS 140 HZ1 LYS 140 -5.563 -10.350 -16.156 1105 HZ2 LYS 140 HZ2 LYS 140 -6.041 -10.209 -14.543 1106 HZ3 LYS 140 HZ3 LYS 140 -6.168 -8.881 -15.581 1107 H SER 141 H SER 141 -3.233 -14.116 -19.453 1108 HA SER 141 HA SER 141 -3.430 -11.687 -20.948 1109 HB2 SER 141 HB2 SER 141 -1.323 -13.008 -20.777 1110 HB3 SER 141 HB3 SER 141 -2.070 -14.322 -21.688 1111 HG SER 141 HG SER 141 -0.750 -12.322 -22.683 Start of MODEL 9 1 H1 MET 1 H1 MET 1 -2.565 53.022 -46.816 2 H2 MET 1 H2 MET 1 -2.911 51.463 -46.272 3 H3 MET 1 H3 MET 1 -2.922 51.802 -47.927 4 HA MET 1 HA MET 1 -0.953 50.602 -47.309 5 HB2 MET 1 HB2 MET 1 -0.811 52.222 -49.182 6 HB3 MET 1 HB3 MET 1 -0.415 53.514 -48.059 7 HG2 MET 1 HG2 MET 1 1.683 52.301 -47.472 8 HG3 MET 1 HG3 MET 1 1.289 51.087 -48.688 9 HE1 MET 1 HE1 MET 1 4.312 53.092 -50.265 10 HE2 MET 1 HE2 MET 1 3.735 51.495 -49.783 11 HE3 MET 1 HE3 MET 1 4.073 52.722 -48.560 12 H GLY 2 H GLY 2 0.396 50.108 -45.675 13 HA2 GLY 2 HA2 GLY 2 1.542 52.148 -43.927 14 HA3 GLY 2 HA3 GLY 2 0.479 50.977 -43.147 15 H HIS 3 H HIS 3 3.616 51.552 -44.417 16 HA HIS 3 HA HIS 3 4.478 48.844 -44.712 17 HB2 HIS 3 HB2 HIS 3 5.623 50.721 -45.886 18 HB3 HIS 3 HB3 HIS 3 6.172 51.362 -44.338 19 HD1 HIS 3 HD1 HIS 3 6.741 48.494 -46.728 20 HD2 HIS 3 HD2 HIS 3 8.454 50.091 -43.298 21 HE1 HIS 3 HE1 HIS 3 8.912 47.277 -46.418 22 HE2 HIS 3 HE2 HIS 3 9.854 48.168 -44.274 23 H HIS 4 H HIS 4 3.901 47.770 -42.905 24 HA HIS 4 HA HIS 4 5.776 47.536 -40.803 25 HB2 HIS 4 HB2 HIS 4 4.217 48.031 -38.867 26 HB3 HIS 4 HB3 HIS 4 4.696 49.465 -39.762 27 HD1 HIS 4 HD1 HIS 4 2.863 50.903 -40.696 28 HD2 HIS 4 HD2 HIS 4 1.450 47.224 -39.391 29 HE1 HIS 4 HE1 HIS 4 0.365 51.059 -40.792 30 HE2 HIS 4 HE2 HIS 4 -0.444 48.762 -40.197 31 H HIS 5 H HIS 5 5.345 45.669 -39.504 32 HA HIS 5 HA HIS 5 2.974 44.051 -40.081 33 HB2 HIS 5 HB2 HIS 5 4.279 42.039 -40.682 34 HB3 HIS 5 HB3 HIS 5 4.576 43.334 -41.837 35 HD1 HIS 5 HD1 HIS 5 6.233 41.377 -39.093 36 HD2 HIS 5 HD2 HIS 5 7.232 44.245 -41.926 37 HE1 HIS 5 HE1 HIS 5 8.739 41.487 -39.085 38 HE2 HIS 5 HE2 HIS 5 9.315 43.095 -40.927 39 H HIS 6 H HIS 6 4.010 45.541 -37.848 40 HA HIS 6 HA HIS 6 5.365 44.077 -35.883 41 HB2 HIS 6 HB2 HIS 6 5.080 46.529 -35.807 42 HB3 HIS 6 HB3 HIS 6 3.343 46.349 -35.600 43 HD1 HIS 6 HD1 HIS 6 2.485 45.763 -33.241 44 HD2 HIS 6 HD2 HIS 6 6.620 46.120 -33.443 45 HE1 HIS 6 HE1 HIS 6 3.266 45.872 -30.863 46 HE2 HIS 6 HE2 HIS 6 5.736 46.294 -31.022 47 H HIS 7 H HIS 7 4.565 42.004 -35.817 48 HA HIS 7 HA HIS 7 2.113 41.533 -34.246 49 HB2 HIS 7 HB2 HIS 7 2.857 40.048 -36.822 50 HB3 HIS 7 HB3 HIS 7 1.636 39.493 -35.684 51 HD1 HIS 7 HD1 HIS 7 -0.401 41.334 -35.311 52 HD2 HIS 7 HD2 HIS 7 1.808 41.564 -38.828 53 HE1 HIS 7 HE1 HIS 7 -1.836 42.603 -36.938 54 HE2 HIS 7 HE2 HIS 7 -0.443 42.802 -39.021 55 H HIS 8 H HIS 8 2.834 40.590 -32.454 56 HA HIS 8 HA HIS 8 4.462 38.243 -32.429 57 HB2 HIS 8 HB2 HIS 8 6.230 40.028 -32.714 58 HB3 HIS 8 HB3 HIS 8 5.694 40.763 -31.209 59 HD1 HIS 8 HD1 HIS 8 6.163 39.368 -29.000 60 HD2 HIS 8 HD2 HIS 8 8.023 37.930 -32.434 61 HE1 HIS 8 HE1 HIS 8 7.951 37.801 -28.199 62 HE2 HIS 8 HE2 HIS 8 8.921 36.810 -30.291 63 H SER 9 H SER 9 2.308 37.849 -31.570 64 HA SER 9 HA SER 9 1.664 38.786 -28.901 65 HB2 SER 9 HB2 SER 9 -0.307 37.221 -29.179 66 HB3 SER 9 HB3 SER 9 -0.183 38.458 -30.427 67 HG SER 9 HG SER 9 -0.350 35.862 -30.771 68 H HIS 10 H HIS 10 2.782 37.964 -27.257 69 HA HIS 10 HA HIS 10 3.612 35.113 -27.233 70 HB2 HIS 10 HB2 HIS 10 5.537 36.638 -27.553 71 HB3 HIS 10 HB3 HIS 10 5.085 37.563 -26.128 72 HD1 HIS 10 HD1 HIS 10 5.950 36.736 -23.902 73 HD2 HIS 10 HD2 HIS 10 6.556 33.987 -26.960 74 HE1 HIS 10 HE1 HIS 10 7.435 34.960 -22.931 75 HE2 HIS 10 HE2 HIS 10 7.791 33.315 -24.798 76 H MET 11 H MET 11 2.984 33.968 -25.465 77 HA MET 11 HA MET 11 2.065 35.262 -22.986 78 HB2 MET 11 HB2 MET 11 0.039 35.123 -24.422 79 HB3 MET 11 HB3 MET 11 0.330 33.413 -24.702 80 HG2 MET 11 HG2 MET 11 -0.013 33.011 -22.244 81 HG3 MET 11 HG3 MET 11 -0.449 34.712 -22.076 82 HE1 MET 11 HE1 MET 11 -1.464 31.223 -23.626 83 HE2 MET 11 HE2 MET 11 -1.324 32.232 -25.068 84 HE3 MET 11 HE3 MET 11 -2.906 31.658 -24.540 85 H GLN 12 H GLN 12 2.781 34.082 -21.272 86 HA GLN 12 HA GLN 12 2.990 31.166 -21.475 87 HB2 GLN 12 HB2 GLN 12 5.232 31.181 -20.352 88 HB3 GLN 12 HB3 GLN 12 5.244 31.818 -21.989 89 HG2 GLN 12 HG2 GLN 12 5.304 34.115 -21.087 90 HG3 GLN 12 HG3 GLN 12 5.314 33.466 -19.451 91 HE21 GLN 12 HE21 GLN 12 7.150 31.241 -20.113 92 HE22 GLN 12 HE22 GLN 12 8.701 31.976 -20.324 93 H GLU 13 H GLU 13 2.548 30.088 -19.652 94 HA GLU 13 HA GLU 13 2.142 31.233 -17.054 95 HB2 GLU 13 HB2 GLU 13 -0.382 31.011 -17.086 96 HB3 GLU 13 HB3 GLU 13 0.222 32.297 -18.129 97 HG2 GLU 13 HG2 GLU 13 0.014 30.734 -20.084 98 HG3 GLU 13 HG3 GLU 13 -0.730 29.555 -19.010 99 H LEU 14 H LEU 14 1.574 29.577 -15.516 100 HA LEU 14 HA LEU 14 1.936 26.830 -16.475 101 HB2 LEU 14 HB2 LEU 14 1.884 27.983 -13.658 102 HB3 LEU 14 HB3 LEU 14 1.979 26.262 -13.992 103 HG LEU 14 HG LEU 14 4.152 26.752 -15.292 104 HD11 LEU 14 HD11 LEU 14 5.385 28.789 -14.739 105 HD12 LEU 14 HD12 LEU 14 3.981 29.413 -13.869 106 HD13 LEU 14 HD13 LEU 14 3.893 29.147 -15.612 107 HD21 LEU 14 HD21 LEU 14 5.548 26.785 -13.272 108 HD22 LEU 14 HD22 LEU 14 4.179 25.688 -13.102 109 HD23 LEU 14 HD23 LEU 14 4.147 27.263 -12.307 110 HA PRO 15 HA PRO 15 -2.561 26.443 -16.403 111 HB2 PRO 15 HB2 PRO 15 -2.333 23.717 -17.454 112 HB3 PRO 15 HB3 PRO 15 -2.735 25.197 -18.343 113 HG2 PRO 15 HG2 PRO 15 -0.410 23.771 -18.724 114 HG3 PRO 15 HG3 PRO 15 -0.586 25.503 -19.086 115 HD2 PRO 15 HD2 PRO 15 0.617 24.197 -16.645 116 HD3 PRO 15 HD3 PRO 15 1.203 25.596 -17.578 117 H ASP 16 H ASP 16 -3.279 26.299 -14.324 118 HA ASP 16 HA ASP 16 -2.529 24.697 -12.230 119 HB2 ASP 16 HB2 ASP 16 -3.974 26.659 -11.969 120 HB3 ASP 16 HB3 ASP 16 -5.280 25.864 -12.833 121 H SER 17 H SER 17 -2.460 22.564 -12.061 122 HA SER 17 HA SER 17 -4.640 20.839 -13.067 123 HB2 SER 17 HB2 SER 17 -2.799 20.847 -14.760 124 HB3 SER 17 HB3 SER 17 -1.647 20.359 -13.513 125 HG SER 17 HG SER 17 -3.885 18.877 -14.479 126 H GLY 18 H GLY 18 -4.691 18.726 -12.039 127 HA2 GLY 18 HA2 GLY 18 -4.239 18.708 -9.233 128 HA3 GLY 18 HA3 GLY 18 -4.680 17.324 -10.225 129 H ALA 19 H ALA 19 -2.965 16.214 -11.389 130 HA ALA 19 HA ALA 19 -1.083 14.978 -11.457 131 HB1 ALA 19 HB1 ALA 19 1.055 16.185 -11.500 132 HB2 ALA 19 HB2 ALA 19 0.299 17.604 -10.772 133 HB3 ALA 19 HB3 ALA 19 -0.178 17.081 -12.389 134 H LEU 20 H LEU 20 -1.557 13.593 -9.709 135 HA LEU 20 HA LEU 20 -0.970 14.254 -6.988 136 HB2 LEU 20 HB2 LEU 20 -2.675 12.525 -7.764 137 HB3 LEU 20 HB3 LEU 20 -1.329 11.472 -8.171 138 HG LEU 20 HG LEU 20 -0.607 11.592 -5.725 139 HD11 LEU 20 HD11 LEU 20 -3.303 12.903 -5.346 140 HD12 LEU 20 HD12 LEU 20 -1.721 13.645 -5.092 141 HD13 LEU 20 HD13 LEU 20 -2.242 12.318 -4.060 142 HD21 LEU 20 HD21 LEU 20 -3.354 10.412 -6.198 143 HD22 LEU 20 HD22 LEU 20 -2.223 9.968 -4.915 144 HD23 LEU 20 HD23 LEU 20 -1.816 9.643 -6.598 145 H MET 21 H MET 21 1.176 14.798 -6.670 146 HA MET 21 HA MET 21 3.341 13.076 -7.653 147 HB2 MET 21 HB2 MET 21 3.673 15.512 -7.733 148 HB3 MET 21 HB3 MET 21 3.330 15.655 -6.020 149 HG2 MET 21 HG2 MET 21 5.400 14.317 -5.555 150 HG3 MET 21 HG3 MET 21 5.763 14.378 -7.283 151 HE1 MET 21 HE1 MET 21 8.198 15.497 -6.639 152 HE2 MET 21 HE2 MET 21 7.735 15.389 -4.939 153 HE3 MET 21 HE3 MET 21 8.324 16.913 -5.597 154 H LEU 22 H LEU 22 3.145 11.158 -6.531 155 HA LEU 22 HA LEU 22 2.885 11.090 -3.626 156 HB2 LEU 22 HB2 LEU 22 3.169 8.893 -5.724 157 HB3 LEU 22 HB3 LEU 22 3.062 8.565 -4.003 158 HG LEU 22 HG LEU 22 0.875 9.920 -5.629 159 HD11 LEU 22 HD11 LEU 22 1.048 7.046 -4.670 160 HD12 LEU 22 HD12 LEU 22 1.169 7.601 -6.343 161 HD13 LEU 22 HD13 LEU 22 -0.341 7.799 -5.459 162 HD21 LEU 22 HD21 LEU 22 -0.524 9.537 -3.647 163 HD22 LEU 22 HD22 LEU 22 0.847 10.576 -3.272 164 HD23 LEU 22 HD23 LEU 22 0.865 8.881 -2.776 165 H VAL 23 H VAL 23 4.683 11.497 -2.493 166 HA VAL 23 HA VAL 23 7.253 10.250 -3.305 167 HB VAL 23 HB VAL 23 8.388 11.886 -1.891 168 HG11 VAL 23 HG11 VAL 23 7.945 12.563 -4.202 169 HG12 VAL 23 HG12 VAL 23 7.909 13.965 -3.134 170 HG13 VAL 23 HG13 VAL 23 6.397 13.272 -3.727 171 HG21 VAL 23 HG21 VAL 23 6.742 12.153 -0.094 172 HG22 VAL 23 HG22 VAL 23 5.653 13.014 -1.183 173 HG23 VAL 23 HG23 VAL 23 7.205 13.730 -0.739 174 HA PRO 24 HA PRO 24 6.840 7.641 0.380 175 HB2 PRO 24 HB2 PRO 24 9.784 7.762 0.817 176 HB3 PRO 24 HB3 PRO 24 8.772 6.372 0.372 177 HG2 PRO 24 HG2 PRO 24 10.500 7.483 -1.384 178 HG3 PRO 24 HG3 PRO 24 8.950 6.773 -1.896 179 HD2 PRO 24 HD2 PRO 24 9.643 9.679 -1.477 180 HD3 PRO 24 HD3 PRO 24 8.732 8.920 -2.802 181 H ASN 25 H ASN 25 8.529 10.676 0.396 182 HA ASN 25 HA ASN 25 9.016 12.292 1.892 183 HB2 ASN 25 HB2 ASN 25 6.526 12.051 2.371 184 HB3 ASN 25 HB3 ASN 25 6.925 10.981 3.697 185 HD21 ASN 25 HD21 ASN 25 6.847 14.278 2.599 186 HD22 ASN 25 HD22 ASN 25 7.164 15.006 4.132 187 H ARG 26 H ARG 26 9.608 12.355 4.625 188 HA ARG 26 HA ARG 26 11.753 10.586 5.070 189 HB2 ARG 26 HB2 ARG 26 10.119 12.319 6.949 190 HB3 ARG 26 HB3 ARG 26 11.494 11.357 7.510 191 HG2 ARG 26 HG2 ARG 26 12.989 12.513 5.975 192 HG3 ARG 26 HG3 ARG 26 11.644 13.422 5.287 193 HD2 ARG 26 HD2 ARG 26 12.543 13.616 8.174 194 HD3 ARG 26 HD3 ARG 26 13.043 14.701 6.879 195 HE ARG 26 HE ARG 26 10.220 14.395 7.742 196 HH11 ARG 26 HH11 ARG 26 12.899 16.487 6.742 197 HH12 ARG 26 HH12 ARG 26 11.942 17.936 6.796 198 HH21 ARG 26 HH21 ARG 26 8.986 16.312 7.775 199 HH22 ARG 26 HH22 ARG 26 9.735 17.834 7.381 200 H GLN 27 H GLN 27 11.864 8.563 5.980 201 HA GLN 27 HA GLN 27 9.608 6.961 5.481 202 HB2 GLN 27 HB2 GLN 27 11.026 5.043 6.145 203 HB3 GLN 27 HB3 GLN 27 11.840 6.131 5.032 204 HG2 GLN 27 HG2 GLN 27 13.079 7.123 6.966 205 HG3 GLN 27 HG3 GLN 27 12.322 5.926 8.016 206 HE21 GLN 27 HE21 GLN 27 12.935 3.733 7.813 207 HE22 GLN 27 HE22 GLN 27 14.407 3.273 7.031 208 H LEU 28 H LEU 28 7.876 6.707 6.730 209 HA LEU 28 HA LEU 28 7.678 7.244 9.499 210 HB2 LEU 28 HB2 LEU 28 5.940 5.395 7.812 211 HB3 LEU 28 HB3 LEU 28 5.512 6.028 9.395 212 HG LEU 28 HG LEU 28 5.785 7.616 6.816 213 HD11 LEU 28 HD11 LEU 28 3.367 6.989 8.537 214 HD12 LEU 28 HD12 LEU 28 3.737 6.299 6.952 215 HD13 LEU 28 HD13 LEU 28 3.385 8.018 7.100 216 HD21 LEU 28 HD21 LEU 28 5.131 8.631 9.596 217 HD22 LEU 28 HD22 LEU 28 5.054 9.567 8.100 218 HD23 LEU 28 HD23 LEU 28 6.603 8.965 8.676 219 H THR 29 H THR 29 7.866 5.946 11.292 220 HA THR 29 HA THR 29 9.229 3.425 11.170 221 HB THR 29 HB THR 29 8.878 3.360 13.627 222 HG1 THR 29 HG1 THR 29 7.740 5.230 14.539 223 HG21 THR 29 HG21 THR 29 10.031 5.446 14.259 224 HG22 THR 29 HG22 THR 29 9.654 6.148 12.685 225 HG23 THR 29 HG23 THR 29 10.742 4.760 12.800 226 H ALA 30 H ALA 30 8.354 1.376 11.807 227 HA ALA 30 HA ALA 30 5.821 0.624 10.915 228 HB1 ALA 30 HB1 ALA 30 7.575 -0.776 12.965 229 HB2 ALA 30 HB2 ALA 30 7.677 -0.957 11.214 230 HB3 ALA 30 HB3 ALA 30 6.239 -1.514 12.070 231 H ASP 31 H ASP 31 6.934 1.580 14.128 232 HA ASP 31 HA ASP 31 4.655 1.087 15.667 233 HB2 ASP 31 HB2 ASP 31 6.814 3.226 15.958 234 HB3 ASP 31 HB3 ASP 31 5.588 2.927 17.185 235 H TYR 32 H TYR 32 5.593 4.050 13.860 236 HA TYR 32 HA TYR 32 3.375 5.611 14.676 237 HB2 TYR 32 HB2 TYR 32 5.407 6.696 13.757 238 HB3 TYR 32 HB3 TYR 32 5.086 5.982 12.180 239 HD1 TYR 32 HD2 TYR 32 3.578 8.264 14.744 240 HD2 TYR 32 HD1 TYR 32 3.699 7.176 10.614 241 HE1 TYR 32 HE2 TYR 32 2.121 10.167 14.204 242 HE2 TYR 32 HE1 TYR 32 2.232 9.079 10.070 243 HH TYR 32 HH TYR 32 1.533 11.570 12.317 244 H PHE 33 H PHE 33 4.031 3.648 11.788 245 HA PHE 33 HA PHE 33 1.724 4.200 10.310 246 HB2 PHE 33 HB2 PHE 33 3.660 2.909 9.402 247 HB3 PHE 33 HB3 PHE 33 3.256 1.555 10.451 248 HD1 PHE 33 HD1 PHE 33 1.157 0.199 9.990 249 HD2 PHE 33 HD2 PHE 33 2.447 3.293 7.339 250 HE1 PHE 33 HE1 PHE 33 -0.364 -0.647 8.258 251 HE2 PHE 33 HE2 PHE 33 0.927 2.430 5.619 252 HZ PHE 33 HZ PHE 33 -0.486 0.471 6.071 253 H GLU 34 H GLU 34 2.362 1.805 12.840 254 HA GLU 34 HA GLU 34 0.015 0.288 12.529 255 HB2 GLU 34 HB2 GLU 34 2.176 -0.397 13.700 256 HB3 GLU 34 HB3 GLU 34 1.651 0.560 15.085 257 HG2 GLU 34 HG2 GLU 34 1.152 -1.813 15.420 258 HG3 GLU 34 HG3 GLU 34 -0.336 -0.870 15.331 259 H LYS 35 H LYS 35 0.794 2.907 14.854 260 HA LYS 35 HA LYS 35 -1.751 2.814 16.157 261 HB2 LYS 35 HB2 LYS 35 0.746 4.345 16.464 262 HB3 LYS 35 HB3 LYS 35 -0.663 5.358 16.738 263 HG2 LYS 35 HG2 LYS 35 0.224 4.333 18.823 264 HG3 LYS 35 HG3 LYS 35 -1.458 3.904 18.498 265 HD2 LYS 35 HD2 LYS 35 -0.225 1.942 19.308 266 HD3 LYS 35 HD3 LYS 35 -0.715 1.683 17.634 267 HE2 LYS 35 HE2 LYS 35 1.558 2.255 16.887 268 HE3 LYS 35 HE3 LYS 35 2.043 2.545 18.561 269 HZ1 LYS 35 HZ1 LYS 35 1.566 0.233 19.059 270 HZ2 LYS 35 HZ2 LYS 35 2.708 0.353 17.824 271 HZ3 LYS 35 HZ3 LYS 35 1.105 -0.050 17.458 272 H THR 36 H THR 36 -0.411 4.825 13.562 273 HA THR 36 HA THR 36 -2.585 6.598 13.250 274 HB THR 36 HB THR 36 -0.643 5.625 11.096 275 HG1 THR 36 HG1 THR 36 0.776 6.857 12.071 276 HG21 THR 36 HG21 THR 36 -2.592 6.848 10.143 277 HG22 THR 36 HG22 THR 36 -1.105 7.784 9.986 278 HG23 THR 36 HG23 THR 36 -2.269 8.191 11.245 279 H TRP 37 H TRP 37 -1.893 3.382 11.957 280 HA TRP 37 HA TRP 37 -3.985 3.110 10.108 281 HB2 TRP 37 HB2 TRP 37 -2.016 1.610 10.109 282 HB3 TRP 37 HB3 TRP 37 -2.464 0.978 11.691 283 HD1 TRP 37 HD1 TRP 37 -4.275 -0.960 11.746 284 HE1 TRP 37 HE1 TRP 37 -5.492 -2.310 9.935 285 HE3 TRP 37 HE3 TRP 37 -2.945 1.788 7.657 286 HZ2 TRP 37 HZ2 TRP 37 -5.849 -2.225 7.138 287 HZ3 TRP 37 HZ3 TRP 37 -3.769 1.100 5.444 288 HH2 TRP 37 HH2 TRP 37 -5.187 -0.866 5.192 289 H LEU 38 H LEU 38 -3.717 2.043 13.511 290 HA LEU 38 HA LEU 38 -6.365 0.980 13.637 291 HB2 LEU 38 HB2 LEU 38 -4.359 1.636 15.835 292 HB3 LEU 38 HB3 LEU 38 -5.848 0.735 16.087 293 HG LEU 38 HG LEU 38 -3.543 -0.178 14.308 294 HD11 LEU 38 HD11 LEU 38 -4.330 -1.192 17.054 295 HD12 LEU 38 HD12 LEU 38 -2.904 -0.226 16.664 296 HD13 LEU 38 HD13 LEU 38 -3.062 -1.856 16.015 297 HD21 LEU 38 HD21 LEU 38 -6.077 -1.649 15.101 298 HD22 LEU 38 HD22 LEU 38 -4.716 -2.337 14.209 299 HD23 LEU 38 HD23 LEU 38 -5.668 -1.042 13.492 300 H SER 39 H SER 39 -5.036 4.169 14.165 301 HA SER 39 HA SER 39 -7.347 5.219 15.577 302 HB2 SER 39 HB2 SER 39 -5.064 6.139 15.957 303 HB3 SER 39 HB3 SER 39 -5.015 6.718 14.294 304 HG SER 39 HG SER 39 -7.055 7.881 14.947 305 H LEU 40 H LEU 40 -6.586 4.628 12.249 306 HA LEU 40 HA LEU 40 -8.677 6.521 11.328 307 HB2 LEU 40 HB2 LEU 40 -6.303 5.312 9.859 308 HB3 LEU 40 HB3 LEU 40 -7.558 6.253 9.075 309 HG LEU 40 HG LEU 40 -5.658 7.334 11.199 310 HD11 LEU 40 HD11 LEU 40 -5.625 7.703 8.186 311 HD12 LEU 40 HD12 LEU 40 -4.455 6.794 9.146 312 HD13 LEU 40 HD13 LEU 40 -4.581 8.538 9.343 313 HD21 LEU 40 HD21 LEU 40 -6.524 9.534 10.513 314 HD22 LEU 40 HD22 LEU 40 -7.795 8.507 11.170 315 HD23 LEU 40 HD23 LEU 40 -7.666 8.737 9.424 316 H LYS 41 H LYS 41 -9.865 5.686 9.359 317 HA LYS 41 HA LYS 41 -10.462 2.783 9.533 318 HB2 LYS 41 HB2 LYS 41 -12.397 5.065 8.928 319 HB3 LYS 41 HB3 LYS 41 -12.803 3.350 8.891 320 HG2 LYS 41 HG2 LYS 41 -12.297 3.208 11.333 321 HG3 LYS 41 HG3 LYS 41 -11.984 4.948 11.344 322 HD2 LYS 41 HD2 LYS 41 -14.339 5.339 10.581 323 HD3 LYS 41 HD3 LYS 41 -14.633 3.602 10.664 324 HE2 LYS 41 HE2 LYS 41 -14.196 3.649 13.095 325 HE3 LYS 41 HE3 LYS 41 -13.886 5.385 13.004 326 HZ1 LYS 41 HZ1 LYS 41 -16.468 4.060 12.346 327 HZ2 LYS 41 HZ2 LYS 41 -16.169 5.724 12.280 328 HZ3 LYS 41 HZ3 LYS 41 -16.131 4.918 13.765 329 H VAL 42 H VAL 42 -10.983 1.743 7.531 330 HA VAL 42 HA VAL 42 -9.214 2.501 5.441 331 HB VAL 42 HB VAL 42 -11.383 0.340 5.373 332 HG11 VAL 42 HG11 VAL 42 -10.033 -0.721 3.594 333 HG12 VAL 42 HG12 VAL 42 -8.907 0.638 3.623 334 HG13 VAL 42 HG13 VAL 42 -10.575 0.887 3.107 335 HG21 VAL 42 HG21 VAL 42 -8.446 0.061 6.129 336 HG22 VAL 42 HG22 VAL 42 -9.624 -1.252 6.030 337 HG23 VAL 42 HG23 VAL 42 -9.805 0.008 7.254 338 H ALA 43 H ALA 43 -9.533 3.626 3.626 339 HA ALA 43 HA ALA 43 -12.050 5.068 3.206 340 HB1 ALA 43 HB1 ALA 43 -9.897 6.277 3.133 341 HB2 ALA 43 HB2 ALA 43 -10.762 6.416 1.603 342 HB3 ALA 43 HB3 ALA 43 -9.391 5.310 1.747 343 H HIS 44 H HIS 44 -9.946 2.830 1.439 344 HA HIS 44 HA HIS 44 -12.203 1.810 -0.128 345 HB2 HIS 44 HB2 HIS 44 -11.202 3.641 -1.521 346 HB3 HIS 44 HB3 HIS 44 -9.631 2.864 -1.432 347 HD2 HIS 44 HD2 HIS 44 -9.467 0.389 -2.940 348 HE1 HIS 44 HE1 HIS 44 -12.757 1.453 -5.365 349 HE2 HIS 44 HE2 HIS 44 -10.631 0.089 -5.230 350 H GLN 45 H GLN 45 -11.864 -0.336 -0.745 351 HA GLN 45 HA GLN 45 -9.253 -1.574 -0.156 352 HB2 GLN 45 HB2 GLN 45 -10.858 -1.995 1.766 353 HB3 GLN 45 HB3 GLN 45 -11.911 -2.849 0.643 354 HG2 GLN 45 HG2 GLN 45 -10.157 -4.530 0.246 355 HG3 GLN 45 HG3 GLN 45 -9.052 -3.636 1.292 356 HE21 GLN 45 HE21 GLN 45 -9.450 -3.620 3.549 357 HE22 GLN 45 HE22 GLN 45 -10.425 -4.831 4.296 358 H GLN 46 H GLN 46 -8.580 -2.563 -1.931 359 HA GLN 46 HA GLN 46 -10.482 -3.342 -4.064 360 HB2 GLN 46 HB2 GLN 46 -9.178 -1.378 -4.755 361 HB3 GLN 46 HB3 GLN 46 -7.672 -2.140 -4.265 362 HG2 GLN 46 HG2 GLN 46 -7.783 -2.230 -6.657 363 HG3 GLN 46 HG3 GLN 46 -8.032 -3.868 -6.064 364 HE21 GLN 46 HE21 GLN 46 -8.712 -2.834 -8.646 365 HE22 GLN 46 HE22 GLN 46 -10.424 -2.974 -8.834 366 H VAL 47 H VAL 47 -10.403 -5.438 -4.550 367 HA VAL 47 HA VAL 47 -8.168 -7.107 -3.573 368 HB VAL 47 HB VAL 47 -10.932 -7.977 -4.556 369 HG11 VAL 47 HG11 VAL 47 -9.244 -9.740 -4.847 370 HG12 VAL 47 HG12 VAL 47 -10.375 -10.179 -3.564 371 HG13 VAL 47 HG13 VAL 47 -8.763 -9.584 -3.155 372 HG21 VAL 47 HG21 VAL 47 -11.116 -6.671 -2.471 373 HG22 VAL 47 HG22 VAL 47 -9.927 -7.721 -1.696 374 HG23 VAL 47 HG23 VAL 47 -11.494 -8.373 -2.182 375 H LEU 48 H LEU 48 -6.705 -7.782 -5.034 376 HA LEU 48 HA LEU 48 -7.395 -7.878 -7.895 377 HB2 LEU 48 HB2 LEU 48 -4.726 -7.143 -6.616 378 HB3 LEU 48 HB3 LEU 48 -4.968 -7.401 -8.338 379 HG LEU 48 HG LEU 48 -6.175 -5.162 -6.670 380 HD11 LEU 48 HD11 LEU 48 -4.090 -5.097 -8.864 381 HD12 LEU 48 HD12 LEU 48 -3.809 -4.846 -7.138 382 HD13 LEU 48 HD13 LEU 48 -4.782 -3.693 -8.045 383 HD21 LEU 48 HD21 LEU 48 -7.790 -5.847 -8.359 384 HD22 LEU 48 HD22 LEU 48 -6.562 -5.757 -9.623 385 HD23 LEU 48 HD23 LEU 48 -7.089 -4.288 -8.792 386 HA PRO 49 HA PRO 49 -6.287 -12.192 -7.183 387 HB2 PRO 49 HB2 PRO 49 -6.584 -13.120 -9.739 388 HB3 PRO 49 HB3 PRO 49 -7.978 -12.687 -8.729 389 HG2 PRO 49 HG2 PRO 49 -6.668 -11.097 -10.907 390 HG3 PRO 49 HG3 PRO 49 -8.398 -11.312 -10.563 391 HD2 PRO 49 HD2 PRO 49 -6.973 -9.077 -9.797 392 HD3 PRO 49 HD3 PRO 49 -8.413 -9.665 -8.932 393 H TRP 50 H TRP 50 -4.173 -12.574 -6.738 394 HA TRP 50 HA TRP 50 -2.012 -11.674 -8.469 395 HB2 TRP 50 HB2 TRP 50 -1.939 -11.717 -5.879 396 HB3 TRP 50 HB3 TRP 50 -1.745 -13.460 -6.006 397 HD1 TRP 50 HD1 TRP 50 0.604 -14.331 -7.133 398 HE1 TRP 50 HE1 TRP 50 2.899 -13.228 -7.283 399 HE3 TRP 50 HE3 TRP 50 -0.693 -9.500 -6.066 400 HZ2 TRP 50 HZ2 TRP 50 4.062 -10.703 -6.930 401 HZ3 TRP 50 HZ3 TRP 50 1.090 -7.792 -5.986 402 HH2 TRP 50 HH2 TRP 50 3.422 -8.390 -6.412 403 H ARG 51 H ARG 51 -0.973 -13.005 -9.954 404 HA ARG 51 HA ARG 51 -2.584 -15.370 -10.670 405 HB2 ARG 51 HB2 ARG 51 -2.471 -13.195 -12.081 406 HB3 ARG 51 HB3 ARG 51 -0.858 -13.721 -12.552 407 HG2 ARG 51 HG2 ARG 51 -1.811 -15.780 -13.527 408 HG3 ARG 51 HG3 ARG 51 -3.427 -15.271 -13.027 409 HD2 ARG 51 HD2 ARG 51 -2.918 -13.116 -14.423 410 HD3 ARG 51 HD3 ARG 51 -1.638 -14.089 -15.147 411 HE ARG 51 HE ARG 51 -3.407 -15.657 -15.881 412 HH11 ARG 51 HH11 ARG 51 -4.330 -12.360 -15.069 413 HH12 ARG 51 HH12 ARG 51 -5.754 -12.374 -16.063 414 HH21 ARG 51 HH21 ARG 51 -5.289 -15.651 -17.207 415 HH22 ARG 51 HH22 ARG 51 -6.290 -14.236 -17.267 416 H GLY 52 H GLY 52 -1.520 -17.146 -9.885 417 HA2 GLY 52 HA2 GLY 52 -0.266 -19.012 -10.278 418 HA3 GLY 52 HA3 GLY 52 0.596 -18.162 -11.547 419 H GLU 53 H GLU 53 2.509 -17.082 -11.058 420 HA GLU 53 HA GLU 53 4.031 -18.050 -8.815 421 HB2 GLU 53 HB2 GLU 53 4.708 -16.008 -10.970 422 HB3 GLU 53 HB3 GLU 53 5.847 -16.553 -9.743 423 HG2 GLU 53 HG2 GLU 53 5.696 -18.857 -10.648 424 HG3 GLU 53 HG3 GLU 53 4.585 -18.277 -11.894 425 H PHE 54 H PHE 54 4.651 -16.969 -7.012 426 HA PHE 54 HA PHE 54 3.455 -14.333 -6.467 427 HB2 PHE 54 HB2 PHE 54 2.995 -16.101 -4.813 428 HB3 PHE 54 HB3 PHE 54 4.723 -16.361 -4.576 429 HD1 PHE 54 HD2 PHE 54 2.851 -13.115 -4.847 430 HD2 PHE 54 HD1 PHE 54 5.064 -15.771 -2.305 431 HE1 PHE 54 HE2 PHE 54 2.862 -11.417 -3.073 432 HE2 PHE 54 HE1 PHE 54 5.058 -14.060 -0.548 433 HZ PHE 54 HZ PHE 54 3.971 -11.902 -0.946 434 H HIS 55 H HIS 55 4.658 -12.531 -6.439 435 HA HIS 55 HA HIS 55 7.620 -12.726 -6.405 436 HB2 HIS 55 HB2 HIS 55 6.053 -10.789 -8.156 437 HB3 HIS 55 HB3 HIS 55 7.784 -11.074 -8.172 438 HD1 HIS 55 HD1 HIS 55 8.639 -13.146 -9.508 439 HD2 HIS 55 HD2 HIS 55 4.516 -12.604 -9.637 440 HE1 HIS 55 HE1 HIS 55 7.812 -14.576 -11.404 441 HE2 HIS 55 HE2 HIS 55 5.338 -14.110 -11.537 442 HA PRO 56 HA PRO 56 6.126 -9.570 -3.246 443 HB2 PRO 56 HB2 PRO 56 7.636 -10.369 -1.118 444 HB3 PRO 56 HB3 PRO 56 6.135 -11.202 -1.578 445 HG2 PRO 56 HG2 PRO 56 8.972 -11.986 -2.185 446 HG3 PRO 56 HG3 PRO 56 7.623 -12.994 -1.610 447 HD2 PRO 56 HD2 PRO 56 8.370 -12.895 -4.244 448 HD3 PRO 56 HD3 PRO 56 6.701 -13.216 -3.728 449 H ASP 57 H ASP 57 9.523 -10.603 -3.729 450 HA ASP 57 HA ASP 57 10.735 -8.154 -2.948 451 HB2 ASP 57 HB2 ASP 57 11.824 -10.353 -4.774 452 HB3 ASP 57 HB3 ASP 57 12.787 -9.031 -4.113 453 H THR 58 H THR 58 9.558 -9.409 -6.030 454 HA THR 58 HA THR 58 10.519 -7.312 -7.712 455 HB THR 58 HB THR 58 8.107 -9.143 -8.139 456 HG1 THR 58 HG1 THR 58 10.877 -9.491 -8.687 457 HG21 THR 58 HG21 THR 58 8.539 -8.818 -10.546 458 HG22 THR 58 HG22 THR 58 9.848 -7.697 -10.176 459 HG23 THR 58 HG23 THR 58 8.189 -7.267 -9.761 460 H LEU 59 H LEU 59 7.479 -7.925 -5.934 461 HA LEU 59 HA LEU 59 6.019 -5.668 -6.693 462 HB2 LEU 59 HB2 LEU 59 5.114 -7.616 -5.425 463 HB3 LEU 59 HB3 LEU 59 5.983 -7.073 -4.003 464 HG LEU 59 HG LEU 59 4.571 -5.047 -3.870 465 HD11 LEU 59 HD11 LEU 59 2.649 -4.709 -5.345 466 HD12 LEU 59 HD12 LEU 59 3.125 -6.100 -6.322 467 HD13 LEU 59 HD13 LEU 59 4.157 -4.668 -6.256 468 HD21 LEU 59 HD21 LEU 59 3.814 -7.062 -2.708 469 HD22 LEU 59 HD22 LEU 59 2.936 -7.588 -4.148 470 HD23 LEU 59 HD23 LEU 59 2.439 -6.125 -3.294 471 H GLN 60 H GLN 60 8.365 -6.118 -4.075 472 HA GLN 60 HA GLN 60 8.177 -3.583 -2.856 473 HB2 GLN 60 HB2 GLN 60 9.310 -5.865 -2.080 474 HB3 GLN 60 HB3 GLN 60 10.748 -5.210 -2.839 475 HG2 GLN 60 HG2 GLN 60 9.207 -3.876 -0.589 476 HG3 GLN 60 HG3 GLN 60 10.645 -4.853 -0.367 477 HE21 GLN 60 HE21 GLN 60 9.410 -1.774 -1.348 478 HE22 GLN 60 HE22 GLN 60 10.930 -0.966 -1.488 479 H MET 61 H MET 61 10.390 -4.838 -5.385 480 HA MET 61 HA MET 61 11.973 -2.527 -5.717 481 HB2 MET 61 HB2 MET 61 11.394 -4.819 -7.638 482 HB3 MET 61 HB3 MET 61 12.595 -3.572 -7.951 483 HG2 MET 61 HG2 MET 61 13.920 -4.275 -6.072 484 HG3 MET 61 HG3 MET 61 12.658 -5.390 -5.539 485 HE1 MET 61 HE1 MET 61 15.304 -7.986 -6.680 486 HE2 MET 61 HE2 MET 61 14.179 -7.501 -5.410 487 HE3 MET 61 HE3 MET 61 15.583 -6.497 -5.783 488 H ALA 62 H ALA 62 8.911 -3.501 -7.226 489 HA ALA 62 HA ALA 62 8.783 -1.440 -9.186 490 HB1 ALA 62 HB1 ALA 62 6.401 -2.046 -9.359 491 HB2 ALA 62 HB2 ALA 62 6.531 -3.015 -7.887 492 HB3 ALA 62 HB3 ALA 62 7.423 -3.485 -9.336 493 H LEU 63 H LEU 63 7.622 -1.729 -5.829 494 HA LEU 63 HA LEU 63 6.202 0.663 -5.550 495 HB2 LEU 63 HB2 LEU 63 7.869 -0.797 -3.468 496 HB3 LEU 63 HB3 LEU 63 6.686 0.453 -3.101 497 HG LEU 63 HG LEU 63 5.998 -2.189 -4.431 498 HD11 LEU 63 HD11 LEU 63 5.103 -2.910 -2.286 499 HD12 LEU 63 HD12 LEU 63 5.686 -1.427 -1.525 500 HD13 LEU 63 HD13 LEU 63 6.834 -2.595 -2.183 501 HD21 LEU 63 HD21 LEU 63 4.195 -0.075 -3.235 502 HD22 LEU 63 HD22 LEU 63 3.685 -1.620 -3.921 503 HD23 LEU 63 HD23 LEU 63 4.420 -0.401 -4.956 504 H GLN 64 H GLN 64 9.670 -0.008 -5.045 505 HA GLN 64 HA GLN 64 10.640 2.442 -4.270 506 HB2 GLN 64 HB2 GLN 64 11.954 0.503 -6.226 507 HB3 GLN 64 HB3 GLN 64 12.798 1.773 -5.342 508 HG2 GLN 64 HG2 GLN 64 12.313 0.673 -3.223 509 HG3 GLN 64 HG3 GLN 64 11.355 -0.555 -4.049 510 HE21 GLN 64 HE21 GLN 64 12.662 -2.243 -3.259 511 HE22 GLN 64 HE22 GLN 64 14.272 -2.511 -3.829 512 H VAL 65 H VAL 65 10.018 1.356 -7.645 513 HA VAL 65 HA VAL 65 11.068 3.672 -8.912 514 HB VAL 65 HB VAL 65 9.069 1.649 -10.028 515 HG11 VAL 65 HG11 VAL 65 9.955 2.259 -12.250 516 HG12 VAL 65 HG12 VAL 65 11.005 3.470 -11.510 517 HG13 VAL 65 HG13 VAL 65 9.252 3.665 -11.445 518 HG21 VAL 65 HG21 VAL 65 11.024 0.423 -10.906 519 HG22 VAL 65 HG22 VAL 65 11.060 0.511 -9.143 520 HG23 VAL 65 HG23 VAL 65 12.105 1.565 -10.098 521 H VAL 66 H VAL 66 7.894 2.861 -7.609 522 HA VAL 66 HA VAL 66 6.680 5.307 -8.781 523 HB VAL 66 HB VAL 66 4.494 4.345 -8.198 524 HG11 VAL 66 HG11 VAL 66 6.230 2.346 -9.691 525 HG12 VAL 66 HG12 VAL 66 5.463 3.776 -10.387 526 HG13 VAL 66 HG13 VAL 66 4.468 2.455 -9.772 527 HG21 VAL 66 HG21 VAL 66 5.176 3.114 -6.154 528 HG22 VAL 66 HG22 VAL 66 6.004 1.921 -7.153 529 HG23 VAL 66 HG23 VAL 66 4.250 2.093 -7.252 530 H ASN 67 H ASN 67 8.450 4.757 -6.185 531 HA ASN 67 HA ASN 67 8.854 5.957 -4.311 532 HB2 ASN 67 HB2 ASN 67 6.760 7.817 -5.493 533 HB3 ASN 67 HB3 ASN 67 7.775 8.236 -4.118 534 HD21 ASN 67 HD21 ASN 67 9.983 8.688 -4.471 535 HD22 ASN 67 HD22 ASN 67 10.613 8.971 -6.053 536 H ILE 68 H ILE 68 6.783 3.864 -4.168 537 HA ILE 68 HA ILE 68 5.166 4.752 -1.872 538 HB ILE 68 HB ILE 68 5.149 2.052 -3.309 539 HG12 ILE 68 HG12 ILE 68 4.310 3.825 -4.802 540 HG13 ILE 68 HG13 ILE 68 2.985 2.783 -4.306 541 HG21 ILE 68 HG21 ILE 68 4.418 1.824 -0.980 542 HG22 ILE 68 HG22 ILE 68 3.042 1.624 -2.065 543 HG23 ILE 68 HG23 ILE 68 3.254 3.139 -1.183 544 HD11 ILE 68 HD11 ILE 68 3.599 5.538 -3.254 545 HD12 ILE 68 HD12 ILE 68 2.283 4.506 -2.686 546 HD13 ILE 68 HD13 ILE 68 2.299 5.084 -4.352 547 H GLN 69 H GLN 69 6.089 4.575 0.062 548 HA GLN 69 HA GLN 69 8.549 3.240 0.601 549 HB2 GLN 69 HB2 GLN 69 7.859 5.326 1.746 550 HB3 GLN 69 HB3 GLN 69 6.480 4.501 2.460 551 HG2 GLN 69 HG2 GLN 69 8.178 2.976 3.627 552 HG3 GLN 69 HG3 GLN 69 9.414 4.124 3.109 553 HE21 GLN 69 HE21 GLN 69 8.524 3.377 5.795 554 HE22 GLN 69 HE22 GLN 69 8.047 4.839 6.564 555 H THR 70 H THR 70 8.931 1.321 1.699 556 HA THR 70 HA THR 70 6.654 -0.444 2.354 557 HB THR 70 HB THR 70 9.616 -1.086 2.008 558 HG1 THR 70 HG1 THR 70 7.767 -0.711 0.210 559 HG21 THR 70 HG21 THR 70 8.644 -2.639 3.655 560 HG22 THR 70 HG22 THR 70 8.896 -3.480 2.123 561 HG23 THR 70 HG23 THR 70 7.275 -2.955 2.581 562 H ILE 71 H ILE 71 6.008 -0.289 4.379 563 HA ILE 71 HA ILE 71 7.629 0.515 6.642 564 HB ILE 71 HB ILE 71 4.752 -0.466 6.358 565 HG12 ILE 71 HG12 ILE 71 5.312 1.823 5.429 566 HG13 ILE 71 HG13 ILE 71 4.077 1.830 6.680 567 HG21 ILE 71 HG21 ILE 71 4.355 0.215 8.709 568 HG22 ILE 71 HG22 ILE 71 6.085 0.497 8.911 569 HG23 ILE 71 HG23 ILE 71 5.490 -1.131 8.581 570 HD11 ILE 71 HD11 ILE 71 5.611 3.676 6.918 571 HD12 ILE 71 HD12 ILE 71 6.969 2.563 7.067 572 HD13 ILE 71 HD13 ILE 71 5.712 2.600 8.310 573 H ALA 72 H ALA 72 5.818 -2.415 5.710 574 HA ALA 72 HA ALA 72 7.863 -4.152 6.884 575 HB1 ALA 72 HB1 ALA 72 4.920 -4.332 7.647 576 HB2 ALA 72 HB2 ALA 72 6.235 -3.817 8.709 577 HB3 ALA 72 HB3 ALA 72 6.183 -5.476 8.111 578 H MET 73 H MET 73 7.639 -6.350 6.154 579 HA MET 73 HA MET 73 5.863 -7.000 3.955 580 HB2 MET 73 HB2 MET 73 7.837 -5.648 2.985 581 HB3 MET 73 HB3 MET 73 8.882 -6.977 3.465 582 HG2 MET 73 HG2 MET 73 8.422 -7.283 1.158 583 HG3 MET 73 HG3 MET 73 7.439 -8.478 1.999 584 HE1 MET 73 HE1 MET 73 5.810 -4.679 -0.078 585 HE2 MET 73 HE2 MET 73 7.498 -5.191 -0.113 586 HE3 MET 73 HE3 MET 73 6.801 -4.535 1.370 587 H SER 74 H SER 74 5.337 -9.104 4.332 588 HA SER 74 HA SER 74 6.903 -10.834 6.037 589 HB2 SER 74 HB2 SER 74 4.452 -11.492 4.332 590 HB3 SER 74 HB3 SER 74 5.137 -12.505 5.605 591 HG SER 74 HG SER 74 4.186 -9.864 6.042 592 H ARG 75 H ARG 75 7.335 -13.163 5.143 593 HA ARG 75 HA ARG 75 9.405 -12.692 3.145 594 HB2 ARG 75 HB2 ARG 75 9.839 -13.846 5.310 595 HB3 ARG 75 HB3 ARG 75 8.757 -15.146 4.834 596 HG2 ARG 75 HG2 ARG 75 10.277 -15.863 3.088 597 HG3 ARG 75 HG3 ARG 75 11.308 -14.450 3.341 598 HD2 ARG 75 HD2 ARG 75 12.242 -16.519 4.372 599 HD3 ARG 75 HD3 ARG 75 11.933 -15.248 5.560 600 HE ARG 75 HE ARG 75 10.042 -17.489 5.113 601 HH11 ARG 75 HH11 ARG 75 11.918 -15.504 7.350 602 HH12 ARG 75 HH12 ARG 75 11.248 -16.259 8.765 603 HH21 ARG 75 HH21 ARG 75 9.164 -18.442 6.978 604 HH22 ARG 75 HH22 ARG 75 9.692 -17.919 8.546 605 H ALA 76 H ALA 76 9.762 -14.041 1.294 606 HA ALA 76 HA ALA 76 7.593 -14.667 -0.380 607 HB1 ALA 76 HB1 ALA 76 9.276 -15.741 -1.843 608 HB2 ALA 76 HB2 ALA 76 10.450 -15.711 -0.523 609 HB3 ALA 76 HB3 ALA 76 9.872 -14.198 -1.223 610 H GLY 77 H GLY 77 6.369 -16.489 -0.636 611 HA2 GLY 77 HA2 GLY 77 5.714 -18.698 -0.499 612 HA3 GLY 77 HA3 GLY 77 7.164 -19.086 0.404 613 H SER 78 H SER 78 6.310 -16.657 2.199 614 HA SER 78 HA SER 78 4.981 -18.309 4.177 615 HB2 SER 78 HB2 SER 78 6.862 -16.767 4.779 616 HB3 SER 78 HB3 SER 78 5.863 -15.387 4.324 617 HG SER 78 HG SER 78 5.250 -17.283 6.351 618 H ARG 79 H ARG 79 2.824 -18.422 4.345 619 HA ARG 79 HA ARG 79 1.084 -16.211 3.485 620 HB2 ARG 79 HB2 ARG 79 0.804 -19.095 2.523 621 HB3 ARG 79 HB3 ARG 79 -0.385 -17.824 2.254 622 HG2 ARG 79 HG2 ARG 79 1.178 -16.588 0.848 623 HG3 ARG 79 HG3 ARG 79 2.458 -17.754 1.192 624 HD2 ARG 79 HD2 ARG 79 1.169 -19.514 0.070 625 HD3 ARG 79 HD3 ARG 79 -0.142 -18.371 -0.239 626 HE ARG 79 HE ARG 79 2.504 -17.732 -1.328 627 HH11 ARG 79 HH11 ARG 79 -0.717 -18.961 -1.918 628 HH12 ARG 79 HH12 ARG 79 -0.625 -18.762 -3.633 629 HH21 ARG 79 HH21 ARG 79 2.632 -17.473 -3.612 630 HH22 ARG 79 HH22 ARG 79 1.272 -17.916 -4.596 631 HA PRO 80 HA PRO 80 -1.405 -15.814 3.570 632 HB2 PRO 80 HB2 PRO 80 -2.639 -14.177 5.416 633 HB3 PRO 80 HB3 PRO 80 -3.359 -15.688 4.828 634 HG2 PRO 80 HG2 PRO 80 -1.840 -15.206 7.371 635 HG3 PRO 80 HG3 PRO 80 -3.356 -16.102 7.123 636 HD2 PRO 80 HD2 PRO 80 -0.987 -17.390 7.357 637 HD3 PRO 80 HD3 PRO 80 -2.269 -17.995 6.284 638 H TRP 81 H TRP 81 -0.304 -14.209 2.766 639 HA TRP 81 HA TRP 81 2.065 -13.224 4.108 640 HB2 TRP 81 HB2 TRP 81 2.200 -14.051 1.805 641 HB3 TRP 81 HB3 TRP 81 0.990 -12.894 1.275 642 HD1 TRP 81 HD1 TRP 81 4.685 -13.058 2.379 643 HE1 TRP 81 HE1 TRP 81 5.878 -10.977 1.459 644 HE3 TRP 81 HE3 TRP 81 0.636 -10.524 0.556 645 HZ2 TRP 81 HZ2 TRP 81 5.206 -8.607 0.119 646 HZ3 TRP 81 HZ3 TRP 81 1.002 -8.360 -0.540 647 HH2 TRP 81 HH2 TRP 81 3.242 -7.412 -0.753 648 H LYS 82 H LYS 82 2.196 -11.254 5.077 649 HA LYS 82 HA LYS 82 0.155 -9.197 4.473 650 HB2 LYS 82 HB2 LYS 82 0.283 -10.151 6.828 651 HB3 LYS 82 HB3 LYS 82 1.901 -9.478 6.963 652 HG2 LYS 82 HG2 LYS 82 0.284 -8.037 8.076 653 HG3 LYS 82 HG3 LYS 82 0.978 -7.206 6.682 654 HD2 LYS 82 HD2 LYS 82 -1.457 -6.820 6.877 655 HD3 LYS 82 HD3 LYS 82 -1.049 -7.644 5.371 656 HE2 LYS 82 HE2 LYS 82 -1.802 -9.779 6.309 657 HE3 LYS 82 HE3 LYS 82 -2.096 -9.020 7.873 658 HZ1 LYS 82 HZ1 LYS 82 -4.120 -9.344 6.525 659 HZ2 LYS 82 HZ2 LYS 82 -3.511 -8.263 5.371 660 HZ3 LYS 82 HZ3 LYS 82 -3.844 -7.729 6.936 661 H ALA 83 H ALA 83 0.846 -7.059 4.078 662 HA ALA 83 HA ALA 83 3.612 -6.309 4.614 663 HB1 ALA 83 HB1 ALA 83 2.379 -5.944 1.852 664 HB2 ALA 83 HB2 ALA 83 3.708 -7.031 2.262 665 HB3 ALA 83 HB3 ALA 83 3.931 -5.287 2.392 666 H TYR 84 H TYR 84 3.788 -4.165 5.106 667 HA TYR 84 HA TYR 84 1.379 -2.456 4.949 668 HB2 TYR 84 HB2 TYR 84 3.625 -2.416 7.027 669 HB3 TYR 84 HB3 TYR 84 2.266 -1.294 6.975 670 HD1 TYR 84 HD1 TYR 84 -0.139 -2.394 7.063 671 HD2 TYR 84 HD2 TYR 84 3.412 -4.376 8.363 672 HE1 TYR 84 HE1 TYR 84 -1.495 -3.956 8.386 673 HE2 TYR 84 HE2 TYR 84 2.058 -5.937 9.687 674 HH TYR 84 HH TYR 84 -0.122 -6.134 10.663 675 H LEU 85 H LEU 85 1.612 -0.767 3.657 676 HA LEU 85 HA LEU 85 4.282 0.275 2.903 677 HB2 LEU 85 HB2 LEU 85 1.779 0.305 1.163 678 HB3 LEU 85 HB3 LEU 85 3.408 0.744 0.684 679 HG LEU 85 HG LEU 85 2.400 -2.062 1.277 680 HD11 LEU 85 HD11 LEU 85 3.185 -0.734 -1.336 681 HD12 LEU 85 HD12 LEU 85 1.558 -1.191 -0.824 682 HD13 LEU 85 HD13 LEU 85 2.762 -2.437 -1.132 683 HD21 LEU 85 HD21 LEU 85 4.722 -1.873 1.982 684 HD22 LEU 85 HD22 LEU 85 5.173 -1.168 0.428 685 HD23 LEU 85 HD23 LEU 85 4.610 -2.840 0.514 686 H SER 86 H SER 86 4.328 2.584 2.551 687 HA SER 86 HA SER 86 1.923 4.123 3.242 688 HB2 SER 86 HB2 SER 86 3.255 5.634 4.732 689 HB3 SER 86 HB3 SER 86 3.147 3.992 5.369 690 HG SER 86 HG SER 86 5.348 5.367 4.321 691 H ALA 87 H ALA 87 1.921 6.212 2.404 692 HA ALA 87 HA ALA 87 4.175 7.232 0.873 693 HB1 ALA 87 HB1 ALA 87 2.823 7.604 -1.172 694 HB2 ALA 87 HB2 ALA 87 1.468 6.736 -0.441 695 HB3 ALA 87 HB3 ALA 87 2.968 5.884 -0.811 696 H GLN 88 H GLN 88 3.663 9.461 0.123 697 HA GLN 88 HA GLN 88 1.418 10.849 1.361 698 HB2 GLN 88 HB2 GLN 88 3.211 10.881 3.105 699 HB3 GLN 88 HB3 GLN 88 4.328 11.601 1.950 700 HG2 GLN 88 HG2 GLN 88 2.792 13.582 1.796 701 HG3 GLN 88 HG3 GLN 88 1.795 12.855 3.055 702 HE21 GLN 88 HE21 GLN 88 4.049 11.836 4.611 703 HE22 GLN 88 HE22 GLN 88 4.800 13.216 5.319 704 H ASP 89 H ASP 89 0.695 12.317 -0.148 705 HA ASP 89 HA ASP 89 2.381 12.825 -2.480 706 HB2 ASP 89 HB2 ASP 89 0.473 13.758 -3.536 707 HB3 ASP 89 HB3 ASP 89 -0.142 12.393 -2.615 708 H ASP 90 H ASP 90 2.315 15.233 -3.262 709 HA ASP 90 HA ASP 90 3.977 16.641 -1.401 710 HB2 ASP 90 HB2 ASP 90 4.419 18.176 -3.205 711 HB3 ASP 90 HB3 ASP 90 4.327 16.564 -3.902 712 H THR 91 H THR 91 0.625 16.580 -1.517 713 HA THR 91 HA THR 91 0.306 19.362 -0.523 714 HB THR 91 HB THR 91 -2.070 19.118 -0.607 715 HG1 THR 91 HG1 THR 91 -1.619 16.334 -0.818 716 HG21 THR 91 HG21 THR 91 -2.530 18.471 -2.935 717 HG22 THR 91 HG22 THR 91 -0.981 17.633 -3.020 718 HG23 THR 91 HG23 THR 91 -1.025 19.390 -2.840 719 H GLY 92 H GLY 92 0.892 16.219 0.655 720 HA2 GLY 92 HA2 GLY 92 1.533 15.766 2.838 721 HA3 GLY 92 HA3 GLY 92 0.637 17.153 3.423 722 H CYS 93 H CYS 93 -1.104 14.986 1.329 723 HA CYS 93 HA CYS 93 -2.611 13.838 3.539 724 HB2 CYS 93 HB2 CYS 93 -2.749 13.176 0.556 725 HB3 CYS 93 HB3 CYS 93 -3.902 12.676 1.794 726 HG CYS 93 HG CYS 93 -4.043 15.744 2.245 727 H LEU 94 H LEU 94 -2.054 12.015 4.536 728 HA LEU 94 HA LEU 94 0.231 10.412 3.643 729 HB2 LEU 94 HB2 LEU 94 -0.220 11.392 6.099 730 HB3 LEU 94 HB3 LEU 94 -1.223 9.975 6.284 731 HG LEU 94 HG LEU 94 0.982 9.611 7.282 732 HD11 LEU 94 HD11 LEU 94 -0.113 7.664 6.314 733 HD12 LEU 94 HD12 LEU 94 1.639 7.522 6.236 734 HD13 LEU 94 HD13 LEU 94 0.722 7.929 4.782 735 HD21 LEU 94 HD21 LEU 94 2.190 10.088 4.541 736 HD22 LEU 94 HD22 LEU 94 3.056 9.622 6.011 737 HD23 LEU 94 HD23 LEU 94 2.270 11.196 5.912 738 H PHE 95 H PHE 95 -0.078 8.400 2.840 739 HA PHE 95 HA PHE 95 -2.758 7.167 2.820 740 HB2 PHE 95 HB2 PHE 95 -0.450 6.801 0.845 741 HB3 PHE 95 HB3 PHE 95 -2.038 6.053 0.723 742 HD1 PHE 95 HD1 PHE 95 -4.009 7.376 0.040 743 HD2 PHE 95 HD2 PHE 95 -0.125 9.170 0.272 744 HE1 PHE 95 HE1 PHE 95 -4.808 9.305 -1.265 745 HE2 PHE 95 HE2 PHE 95 -0.939 11.090 -1.028 746 HZ PHE 95 HZ PHE 95 -3.273 11.159 -1.792 747 H LEU 96 H LEU 96 -2.925 5.304 3.903 748 HA LEU 96 HA LEU 96 -0.524 3.744 4.671 749 HB2 LEU 96 HB2 LEU 96 -3.296 3.681 5.924 750 HB3 LEU 96 HB3 LEU 96 -1.851 2.891 6.534 751 HG LEU 96 HG LEU 96 -2.184 5.916 6.407 752 HD11 LEU 96 HD11 LEU 96 -2.702 5.852 8.773 753 HD12 LEU 96 HD12 LEU 96 -2.640 4.088 8.779 754 HD13 LEU 96 HD13 LEU 96 -3.891 4.931 7.860 755 HD21 LEU 96 HD21 LEU 96 0.155 5.173 6.493 756 HD22 LEU 96 HD22 LEU 96 -0.188 4.218 7.939 757 HD23 LEU 96 HD23 LEU 96 -0.323 5.979 7.986 758 H THR 97 H THR 97 -0.344 1.913 3.516 759 HA THR 97 HA THR 97 -2.708 0.677 2.238 760 HB THR 97 HB THR 97 0.193 0.631 1.294 761 HG1 THR 97 HG1 THR 97 -1.531 2.580 1.135 762 HG21 THR 97 HG21 THR 97 -2.335 -0.306 -0.109 763 HG22 THR 97 HG22 THR 97 -1.080 -1.364 0.539 764 HG23 THR 97 HG23 THR 97 -0.717 -0.287 -0.813 765 H GLU 98 H GLU 98 -3.028 -1.510 2.574 766 HA GLU 98 HA GLU 98 -0.934 -3.096 3.928 767 HB2 GLU 98 HB2 GLU 98 -2.547 -2.283 5.606 768 HB3 GLU 98 HB3 GLU 98 -3.882 -2.952 4.694 769 HG2 GLU 98 HG2 GLU 98 -1.766 -4.878 5.549 770 HG3 GLU 98 HG3 GLU 98 -2.748 -4.177 6.830 771 H LEU 99 H LEU 99 -0.540 -4.906 2.878 772 HA LEU 99 HA LEU 99 -2.342 -5.851 0.743 773 HB2 LEU 99 HB2 LEU 99 0.609 -6.488 1.149 774 HB3 LEU 99 HB3 LEU 99 -0.353 -6.804 -0.285 775 HG LEU 99 HG LEU 99 0.503 -4.060 0.721 776 HD11 LEU 99 HD11 LEU 99 1.471 -5.653 -1.670 777 HD12 LEU 99 HD12 LEU 99 2.374 -5.312 -0.191 778 HD13 LEU 99 HD13 LEU 99 1.935 -3.996 -1.274 779 HD21 LEU 99 HD21 LEU 99 -0.407 -3.178 -1.385 780 HD22 LEU 99 HD22 LEU 99 -1.660 -3.902 -0.380 781 HD23 LEU 99 HD23 LEU 99 -1.043 -4.776 -1.786 782 H LEU 100 H LEU 100 -3.196 -7.884 0.912 783 HA LEU 100 HA LEU 100 -2.085 -9.827 2.845 784 HB2 LEU 100 HB2 LEU 100 -4.041 -8.835 3.914 785 HB3 LEU 100 HB3 LEU 100 -5.002 -9.039 2.457 786 HG LEU 100 HG LEU 100 -4.903 -11.528 2.752 787 HD11 LEU 100 HD11 LEU 100 -3.482 -10.930 5.354 788 HD12 LEU 100 HD12 LEU 100 -2.797 -11.731 3.936 789 HD13 LEU 100 HD13 LEU 100 -4.093 -12.507 4.843 790 HD21 LEU 100 HD21 LEU 100 -6.812 -10.252 3.627 791 HD22 LEU 100 HD22 LEU 100 -5.991 -10.078 5.182 792 HD23 LEU 100 HD23 LEU 100 -6.472 -11.678 4.609 793 H LEU 101 H LEU 101 -1.419 -11.550 1.616 794 HA LEU 101 HA LEU 101 -2.981 -12.329 -0.769 795 HB2 LEU 101 HB2 LEU 101 -0.556 -12.051 -1.164 796 HB3 LEU 101 HB3 LEU 101 -0.201 -13.194 0.118 797 HG LEU 101 HG LEU 101 -1.422 -14.980 -1.252 798 HD11 LEU 101 HD11 LEU 101 -2.766 -13.543 -2.672 799 HD12 LEU 101 HD12 LEU 101 -1.747 -14.602 -3.644 800 HD13 LEU 101 HD13 LEU 101 -1.313 -12.901 -3.446 801 HD21 LEU 101 HD21 LEU 101 0.451 -15.402 -2.766 802 HD22 LEU 101 HD22 LEU 101 1.008 -14.900 -1.172 803 HD23 LEU 101 HD23 LEU 101 1.039 -13.755 -2.513 804 H GLU 102 H GLU 102 -4.134 -14.174 -0.725 805 HA GLU 102 HA GLU 102 -4.411 -15.654 1.740 806 HB2 GLU 102 HB2 GLU 102 -5.814 -15.743 -0.944 807 HB3 GLU 102 HB3 GLU 102 -6.160 -16.929 0.308 808 HG2 GLU 102 HG2 GLU 102 -6.496 -13.926 0.594 809 HG3 GLU 102 HG3 GLU 102 -7.798 -15.080 0.294 810 HA PRO 103 HA PRO 103 -1.621 -19.016 0.732 811 HB2 PRO 103 HB2 PRO 103 -3.293 -20.799 2.433 812 HB3 PRO 103 HB3 PRO 103 -1.623 -20.250 2.684 813 HG2 PRO 103 HG2 PRO 103 -3.635 -19.348 4.226 814 HG3 PRO 103 HG3 PRO 103 -2.266 -18.306 3.768 815 HD2 PRO 103 HD2 PRO 103 -5.036 -18.407 2.574 816 HD3 PRO 103 HD3 PRO 103 -4.050 -16.993 3.025 817 H GLY 104 H GLY 104 -5.033 -20.091 0.936 818 HA2 GLY 104 HA2 GLY 104 -4.653 -22.178 -1.050 819 HA3 GLY 104 HA3 GLY 104 -6.131 -21.801 -0.176 820 H ASN 105 H ASN 105 -6.407 -19.098 -0.820 821 HA ASN 105 HA ASN 105 -7.356 -19.281 -3.591 822 HB2 ASN 105 HB2 ASN 105 -7.881 -17.248 -1.371 823 HB3 ASN 105 HB3 ASN 105 -8.526 -17.100 -3.003 824 HD21 ASN 105 HD21 ASN 105 -10.671 -17.249 -2.420 825 HD22 ASN 105 HD22 ASN 105 -11.384 -18.678 -1.767 826 H SER 106 H SER 106 -6.708 -17.886 -5.213 827 HA SER 106 HA SER 106 -4.016 -16.754 -4.952 828 HB2 SER 106 HB2 SER 106 -4.183 -16.689 -7.479 829 HB3 SER 106 HB3 SER 106 -4.411 -18.295 -6.792 830 HG SER 106 HG SER 106 -6.658 -16.661 -7.276 831 H GLU 107 H GLU 107 -5.671 -15.185 -3.556 832 HA GLU 107 HA GLU 107 -6.349 -12.854 -5.242 833 HB2 GLU 107 HB2 GLU 107 -8.025 -14.120 -3.037 834 HB3 GLU 107 HB3 GLU 107 -8.172 -12.408 -3.403 835 HG2 GLU 107 HG2 GLU 107 -9.933 -13.460 -4.575 836 HG3 GLU 107 HG3 GLU 107 -8.726 -13.044 -5.784 837 H MET 108 H MET 108 -5.823 -10.908 -4.389 838 HA MET 108 HA MET 108 -4.520 -10.796 -1.746 839 HB2 MET 108 HB2 MET 108 -2.765 -10.630 -3.458 840 HB3 MET 108 HB3 MET 108 -3.645 -9.353 -4.290 841 HG2 MET 108 HG2 MET 108 -3.261 -7.808 -2.461 842 HG3 MET 108 HG3 MET 108 -2.584 -9.091 -1.457 843 HE1 MET 108 HE1 MET 108 -0.675 -10.681 -3.429 844 HE2 MET 108 HE2 MET 108 -0.212 -10.168 -1.804 845 HE3 MET 108 HE3 MET 108 0.835 -9.808 -3.176 846 H GLN 109 H GLN 109 -5.264 -9.198 -0.456 847 HA GLN 109 HA GLN 109 -7.372 -7.394 -1.443 848 HB2 GLN 109 HB2 GLN 109 -6.715 -8.384 1.374 849 HB3 GLN 109 HB3 GLN 109 -7.923 -7.149 1.016 850 HG2 GLN 109 HG2 GLN 109 -9.217 -8.772 -0.290 851 HG3 GLN 109 HG3 GLN 109 -8.011 -10.016 0.034 852 HE21 GLN 109 HE21 GLN 109 -10.507 -8.000 1.500 853 HE22 GLN 109 HE22 GLN 109 -10.725 -8.993 2.897 854 H ILE 110 H ILE 110 -6.987 -5.242 -1.299 855 HA ILE 110 HA ILE 110 -4.508 -4.281 0.017 856 HB ILE 110 HB ILE 110 -5.701 -3.081 -2.540 857 HG12 ILE 110 HG12 ILE 110 -3.302 -3.689 -3.465 858 HG13 ILE 110 HG13 ILE 110 -3.235 -4.827 -2.130 859 HG21 ILE 110 HG21 ILE 110 -4.764 -1.361 -1.053 860 HG22 ILE 110 HG22 ILE 110 -3.710 -1.568 -2.448 861 HG23 ILE 110 HG23 ILE 110 -3.260 -2.274 -0.901 862 HD11 ILE 110 HD11 ILE 110 -5.159 -6.019 -3.042 863 HD12 ILE 110 HD12 ILE 110 -3.865 -5.889 -4.235 864 HD13 ILE 110 HD13 ILE 110 -5.281 -4.844 -4.353 865 H SER 111 H SER 111 -4.946 -2.887 1.578 866 HA SER 111 HA SER 111 -7.600 -1.564 1.720 867 HB2 SER 111 HB2 SER 111 -5.742 -2.393 3.997 868 HB3 SER 111 HB3 SER 111 -7.298 -1.574 4.189 869 HG SER 111 HG SER 111 -6.914 -4.076 2.927 870 H VAL 112 H VAL 112 -7.349 0.433 1.013 871 HA VAL 112 HA VAL 112 -4.933 2.007 1.605 872 HB VAL 112 HB VAL 112 -7.212 2.700 -0.319 873 HG11 VAL 112 HG11 VAL 112 -4.461 3.951 0.023 874 HG12 VAL 112 HG12 VAL 112 -5.996 4.676 0.511 875 HG13 VAL 112 HG13 VAL 112 -5.652 4.404 -1.199 876 HG21 VAL 112 HG21 VAL 112 -6.040 0.678 -1.109 877 HG22 VAL 112 HG22 VAL 112 -4.490 1.513 -0.984 878 HG23 VAL 112 HG23 VAL 112 -5.691 2.056 -2.159 879 H LYS 113 H LYS 113 -5.054 3.409 3.193 880 HA LYS 113 HA LYS 113 -7.591 4.542 4.168 881 HB2 LYS 113 HB2 LYS 113 -7.125 2.588 5.551 882 HB3 LYS 113 HB3 LYS 113 -5.431 3.024 5.707 883 HG2 LYS 113 HG2 LYS 113 -6.124 4.999 7.063 884 HG3 LYS 113 HG3 LYS 113 -7.789 4.413 6.992 885 HD2 LYS 113 HD2 LYS 113 -5.423 2.907 8.185 886 HD3 LYS 113 HD3 LYS 113 -6.678 3.735 9.104 887 HE2 LYS 113 HE2 LYS 113 -8.357 2.177 8.066 888 HE3 LYS 113 HE3 LYS 113 -7.013 1.295 7.341 889 HZ1 LYS 113 HZ1 LYS 113 -6.172 0.827 9.553 890 HZ2 LYS 113 HZ2 LYS 113 -7.760 0.276 9.400 891 HZ3 LYS 113 HZ3 LYS 113 -7.440 1.695 10.256 892 H GLN 114 H GLN 114 -7.076 6.648 3.508 893 HA GLN 114 HA GLN 114 -4.496 7.782 4.385 894 HB2 GLN 114 HB2 GLN 114 -5.044 9.691 2.910 895 HB3 GLN 114 HB3 GLN 114 -5.030 8.169 2.036 896 HG2 GLN 114 HG2 GLN 114 -7.651 9.229 3.046 897 HG3 GLN 114 HG3 GLN 114 -6.917 9.975 1.633 898 HE21 GLN 114 HE21 GLN 114 -8.772 9.314 0.482 899 HE22 GLN 114 HE22 GLN 114 -8.954 7.696 -0.070 900 H ASN 115 H ASN 115 -4.470 9.915 5.347 901 HA ASN 115 HA ASN 115 -6.290 9.957 7.619 902 HB2 ASN 115 HB2 ASN 115 -4.759 11.579 8.602 903 HB3 ASN 115 HB3 ASN 115 -3.835 10.234 7.951 904 HD21 ASN 115 HD21 ASN 115 -2.732 12.696 8.590 905 HD22 ASN 115 HD22 ASN 115 -2.157 13.429 7.133 906 H GLU 116 H GLU 116 -5.526 11.988 4.815 907 HA GLU 116 HA GLU 116 -8.053 13.505 5.209 908 HB2 GLU 116 HB2 GLU 116 -5.647 14.244 3.457 909 HB3 GLU 116 HB3 GLU 116 -7.100 15.215 3.682 910 HG2 GLU 116 HG2 GLU 116 -6.510 15.582 6.039 911 HG3 GLU 116 HG3 GLU 116 -5.084 14.557 5.849 912 H ALA 117 H ALA 117 -9.567 12.264 4.073 913 HA ALA 117 HA ALA 117 -8.826 10.912 1.607 914 HB1 ALA 117 HB1 ALA 117 -11.152 10.078 1.632 915 HB2 ALA 117 HB2 ALA 117 -11.515 11.120 3.010 916 HB3 ALA 117 HB3 ALA 117 -10.352 9.805 3.181 917 H ARG 118 H ARG 118 -8.551 12.175 -0.091 918 HA ARG 118 HA ARG 118 -10.683 14.064 -0.915 919 HB2 ARG 118 HB2 ARG 118 -8.293 14.923 -0.580 920 HB3 ARG 118 HB3 ARG 118 -7.806 13.894 -1.916 921 HG2 ARG 118 HG2 ARG 118 -9.195 15.187 -3.462 922 HG3 ARG 118 HG3 ARG 118 -9.824 16.153 -2.120 923 HD2 ARG 118 HD2 ARG 118 -6.961 16.077 -3.133 924 HD3 ARG 118 HD3 ARG 118 -8.081 17.441 -3.214 925 HE ARG 118 HE ARG 118 -8.016 17.320 -0.662 926 HH11 ARG 118 HH11 ARG 118 -5.176 16.473 -2.612 927 HH12 ARG 118 HH12 ARG 118 -4.059 16.870 -1.344 928 HH21 ARG 118 HH21 ARG 118 -6.536 17.775 0.959 929 HH22 ARG 118 HH22 ARG 118 -4.836 17.606 0.668 930 H THR 119 H THR 119 -11.726 13.552 -2.863 931 HA THR 119 HA THR 119 -11.983 10.891 -3.575 932 HB THR 119 HB THR 119 -12.615 13.319 -5.304 933 HG1 THR 119 HG1 THR 119 -13.794 12.188 -3.067 934 HG21 THR 119 HG21 THR 119 -12.715 11.226 -6.634 935 HG22 THR 119 HG22 THR 119 -14.322 11.894 -6.374 936 HG23 THR 119 HG23 THR 119 -13.793 10.505 -5.426 937 H GLU 120 H GLU 120 -10.119 13.418 -5.278 938 HA GLU 120 HA GLU 120 -9.237 11.749 -7.401 939 HB2 GLU 120 HB2 GLU 120 -9.436 14.183 -7.650 940 HB3 GLU 120 HB3 GLU 120 -8.226 14.450 -6.399 941 HG2 GLU 120 HG2 GLU 120 -6.491 13.446 -7.841 942 HG3 GLU 120 HG3 GLU 120 -7.692 13.131 -9.091 943 H THR 121 H THR 121 -7.656 12.779 -4.307 944 HA THR 121 HA THR 121 -5.088 11.782 -4.861 945 HB THR 121 HB THR 121 -4.722 11.698 -2.391 946 HG1 THR 121 HG1 THR 121 -6.343 11.979 -0.977 947 HG21 THR 121 HG21 THR 121 -4.480 13.861 -3.547 948 HG22 THR 121 HG22 THR 121 -5.095 14.077 -1.909 949 HG23 THR 121 HG23 THR 121 -6.194 14.198 -3.285 950 H LEU 122 H LEU 122 -7.888 10.240 -3.289 951 HA LEU 122 HA LEU 122 -6.781 7.720 -2.814 952 HB2 LEU 122 HB2 LEU 122 -8.886 8.515 -1.816 953 HB3 LEU 122 HB3 LEU 122 -9.665 8.472 -3.387 954 HG LEU 122 HG LEU 122 -9.476 6.003 -3.448 955 HD11 LEU 122 HD11 LEU 122 -7.415 5.678 -2.220 956 HD12 LEU 122 HD12 LEU 122 -8.710 4.732 -1.493 957 HD13 LEU 122 HD13 LEU 122 -8.176 6.230 -0.725 958 HD21 LEU 122 HD21 LEU 122 -10.707 6.971 -0.854 959 HD22 LEU 122 HD22 LEU 122 -11.072 5.454 -1.685 960 HD23 LEU 122 HD23 LEU 122 -11.479 6.992 -2.440 961 H ASN 123 H ASN 123 -8.762 8.819 -5.640 962 HA ASN 123 HA ASN 123 -8.913 6.275 -6.865 963 HB2 ASN 123 HB2 ASN 123 -9.154 9.003 -8.214 964 HB3 ASN 123 HB3 ASN 123 -9.670 7.479 -8.918 965 HD21 ASN 123 HD21 ASN 123 -10.723 6.701 -6.139 966 HD22 ASN 123 HD22 ASN 123 -12.226 7.532 -6.038 967 H SER 124 H SER 124 -6.679 8.978 -7.331 968 HA SER 124 HA SER 124 -5.251 7.891 -9.538 969 HB2 SER 124 HB2 SER 124 -4.442 10.058 -7.563 970 HB3 SER 124 HB3 SER 124 -3.643 9.723 -9.101 971 HG SER 124 HG SER 124 -6.329 10.574 -8.718 972 H PHE 125 H PHE 125 -4.746 7.827 -6.005 973 HA PHE 125 HA PHE 125 -2.207 6.610 -5.930 974 HB2 PHE 125 HB2 PHE 125 -3.266 7.663 -3.943 975 HB3 PHE 125 HB3 PHE 125 -4.481 6.394 -3.898 976 HD1 PHE 125 HD2 PHE 125 -0.886 7.135 -3.394 977 HD2 PHE 125 HD1 PHE 125 -3.982 4.241 -2.863 978 HE1 PHE 125 HE2 PHE 125 0.601 5.801 -1.973 979 HE2 PHE 125 HE1 PHE 125 -2.487 2.913 -1.432 980 HZ PHE 125 HZ PHE 125 -0.192 3.693 -0.991 981 H ILE 126 H ILE 126 -5.471 5.200 -5.970 982 HA ILE 126 HA ILE 126 -4.727 2.464 -5.696 983 HB ILE 126 HB ILE 126 -7.262 3.582 -6.984 984 HG12 ILE 126 HG12 ILE 126 -6.950 2.735 -4.077 985 HG13 ILE 126 HG13 ILE 126 -6.768 4.404 -4.601 986 HG21 ILE 126 HG21 ILE 126 -8.293 1.424 -6.335 987 HG22 ILE 126 HG22 ILE 126 -6.738 0.870 -5.713 988 HG23 ILE 126 HG23 ILE 126 -6.933 1.180 -7.439 989 HD11 ILE 126 HD11 ILE 126 -9.257 2.748 -4.988 990 HD12 ILE 126 HD12 ILE 126 -9.044 4.458 -5.380 991 HD13 ILE 126 HD13 ILE 126 -8.985 3.923 -3.703 992 H SER 127 H SER 127 -5.285 4.610 -8.486 993 HA SER 127 HA SER 127 -5.090 2.746 -10.568 994 HB2 SER 127 HB2 SER 127 -4.262 5.681 -10.580 995 HB3 SER 127 HB3 SER 127 -4.529 4.681 -12.014 996 HG SER 127 HG SER 127 -6.658 4.523 -10.383 997 H VAL 128 H VAL 128 -2.542 4.629 -8.902 998 HA VAL 128 HA VAL 128 -0.297 3.744 -10.346 999 HB VAL 128 HB VAL 128 -0.481 4.558 -7.399 1000 HG11 VAL 128 HG11 VAL 128 1.952 5.023 -7.521 1001 HG12 VAL 128 HG12 VAL 128 1.995 4.359 -9.156 1002 HG13 VAL 128 HG13 VAL 128 1.604 3.312 -7.790 1003 HG21 VAL 128 HG21 VAL 128 -1.252 6.327 -8.933 1004 HG22 VAL 128 HG22 VAL 128 0.258 6.223 -9.833 1005 HG23 VAL 128 HG23 VAL 128 0.266 6.791 -8.162 1006 H LEU 129 H LEU 129 -1.673 2.564 -7.292 1007 HA LEU 129 HA LEU 129 -0.165 0.376 -6.659 1008 HB2 LEU 129 HB2 LEU 129 -1.855 1.239 -5.197 1009 HB3 LEU 129 HB3 LEU 129 -3.109 0.966 -6.390 1010 HG LEU 129 HG LEU 129 -2.425 -1.616 -6.038 1011 HD11 LEU 129 HD11 LEU 129 -1.636 -0.422 -3.371 1012 HD12 LEU 129 HD12 LEU 129 -0.560 -1.216 -4.523 1013 HD13 LEU 129 HD13 LEU 129 -1.834 -2.139 -3.732 1014 HD21 LEU 129 HD21 LEU 129 -4.196 -0.080 -4.128 1015 HD22 LEU 129 HD22 LEU 129 -4.251 -1.815 -4.446 1016 HD23 LEU 129 HD23 LEU 129 -4.645 -0.676 -5.729 1017 H GLU 130 H GLU 130 -3.106 0.340 -8.675 1018 HA GLU 130 HA GLU 130 -3.106 -2.451 -9.199 1019 HB2 GLU 130 HB2 GLU 130 -4.564 -0.205 -10.640 1020 HB3 GLU 130 HB3 GLU 130 -4.835 -1.920 -10.955 1021 HG2 GLU 130 HG2 GLU 130 -5.465 -2.189 -8.516 1022 HG3 GLU 130 HG3 GLU 130 -5.374 -0.432 -8.369 1023 H THR 131 H THR 131 -1.695 0.278 -10.963 1024 HA THR 131 HA THR 131 -0.865 -1.257 -13.229 1025 HB THR 131 HB THR 131 0.336 1.358 -12.211 1026 HG1 THR 131 HG1 THR 131 -1.586 2.096 -12.717 1027 HG21 THR 131 HG21 THR 131 1.727 0.276 -13.953 1028 HG22 THR 131 HG22 THR 131 0.947 1.728 -14.583 1029 HG23 THR 131 HG23 THR 131 0.306 0.140 -14.999 1030 H VAL 132 H VAL 132 0.584 -0.547 -10.063 1031 HA VAL 132 HA VAL 132 3.236 -1.461 -10.536 1032 HB VAL 132 HB VAL 132 1.616 -1.250 -7.946 1033 HG11 VAL 132 HG11 VAL 132 4.597 -1.800 -8.207 1034 HG12 VAL 132 HG12 VAL 132 3.391 -2.929 -7.590 1035 HG13 VAL 132 HG13 VAL 132 3.751 -1.449 -6.699 1036 HG21 VAL 132 HG21 VAL 132 2.932 0.784 -7.557 1037 HG22 VAL 132 HG22 VAL 132 2.095 0.882 -9.106 1038 HG23 VAL 132 HG23 VAL 132 3.816 0.515 -9.061 1039 H ILE 133 H ILE 133 0.474 -3.063 -8.929 1040 HA ILE 133 HA ILE 133 1.653 -5.636 -8.687 1041 HB ILE 133 HB ILE 133 -1.271 -4.747 -8.629 1042 HG12 ILE 133 HG12 ILE 133 0.679 -5.435 -6.380 1043 HG13 ILE 133 HG13 ILE 133 0.088 -3.830 -6.788 1044 HG21 ILE 133 HG21 ILE 133 -1.210 -7.116 -9.275 1045 HG22 ILE 133 HG22 ILE 133 -1.852 -6.934 -7.641 1046 HG23 ILE 133 HG23 ILE 133 -0.192 -7.481 -7.882 1047 HD11 ILE 133 HD11 ILE 133 -2.188 -4.546 -6.152 1048 HD12 ILE 133 HD12 ILE 133 -1.028 -4.628 -4.828 1049 HD13 ILE 133 HD13 ILE 133 -1.531 -6.107 -5.649 1050 H GLY 134 H GLY 134 -0.401 -4.083 -11.087 1051 HA2 GLY 134 HA2 GLY 134 -1.132 -6.232 -12.674 1052 HA3 GLY 134 HA3 GLY 134 -1.035 -4.563 -13.197 1053 H THR 135 H THR 135 1.684 -4.048 -13.074 1054 HA THR 135 HA THR 135 2.505 -5.191 -15.553 1055 HB THR 135 HB THR 135 3.056 -2.850 -14.866 1056 HG1 THR 135 HG1 THR 135 5.061 -4.640 -15.745 1057 HG21 THR 135 HG21 THR 135 3.739 -3.235 -12.525 1058 HG22 THR 135 HG22 THR 135 4.997 -2.401 -13.436 1059 HG23 THR 135 HG23 THR 135 5.168 -4.121 -13.091 1060 H ILE 136 H ILE 136 2.917 -6.233 -12.345 1061 HA ILE 136 HA ILE 136 5.270 -7.915 -12.817 1062 HB ILE 136 HB ILE 136 3.469 -7.629 -10.361 1063 HG12 ILE 136 HG12 ILE 136 6.232 -6.432 -10.862 1064 HG13 ILE 136 HG13 ILE 136 4.719 -5.545 -11.019 1065 HG21 ILE 136 HG21 ILE 136 5.274 -8.760 -9.104 1066 HG22 ILE 136 HG22 ILE 136 6.178 -8.987 -10.602 1067 HG23 ILE 136 HG23 ILE 136 4.632 -9.806 -10.376 1068 HD11 ILE 136 HD11 ILE 136 5.787 -6.766 -8.486 1069 HD12 ILE 136 HD12 ILE 136 4.268 -5.880 -8.655 1070 HD13 ILE 136 HD13 ILE 136 5.802 -5.060 -8.930 1071 H GLU 137 H GLU 137 1.757 -8.108 -12.478 1072 HA GLU 137 HA GLU 137 1.755 -11.046 -12.786 1073 HB2 GLU 137 HB2 GLU 137 -0.492 -9.142 -11.984 1074 HB3 GLU 137 HB3 GLU 137 -0.615 -10.900 -12.054 1075 HG2 GLU 137 HG2 GLU 137 1.093 -9.257 -10.160 1076 HG3 GLU 137 HG3 GLU 137 -0.296 -10.264 -9.748 1077 H GLU 138 H GLU 138 2.194 -8.891 -14.868 1078 HA GLU 138 HA GLU 138 0.066 -9.317 -16.788 1079 HB2 GLU 138 HB2 GLU 138 1.305 -7.143 -16.591 1080 HB3 GLU 138 HB3 GLU 138 2.786 -7.950 -17.094 1081 HG2 GLU 138 HG2 GLU 138 1.794 -8.443 -19.288 1082 HG3 GLU 138 HG3 GLU 138 0.272 -7.713 -18.781 1083 H ILE 139 H ILE 139 0.292 -11.689 -16.667 1084 HA ILE 139 HA ILE 139 2.523 -12.945 -18.054 1085 HB ILE 139 HB ILE 139 -0.196 -14.072 -17.195 1086 HG12 ILE 139 HG12 ILE 139 1.260 -15.534 -15.665 1087 HG13 ILE 139 HG13 ILE 139 2.626 -14.527 -16.112 1088 HG21 ILE 139 HG21 ILE 139 0.505 -15.229 -19.248 1089 HG22 ILE 139 HG22 ILE 139 0.642 -16.315 -17.865 1090 HG23 ILE 139 HG23 ILE 139 2.089 -15.566 -18.546 1091 HD11 ILE 139 HD11 ILE 139 0.155 -13.584 -14.668 1092 HD12 ILE 139 HD12 ILE 139 1.576 -12.611 -15.055 1093 HD13 ILE 139 HD13 ILE 139 1.710 -13.961 -13.927 1094 H LYS 140 H LYS 140 2.748 -12.644 -20.170 1095 HA LYS 140 HA LYS 140 2.446 -12.209 -22.353 1096 HB2 LYS 140 HB2 LYS 140 0.809 -14.087 -22.362 1097 HB3 LYS 140 HB3 LYS 140 -0.468 -12.968 -21.908 1098 HG2 LYS 140 HG2 LYS 140 -0.028 -11.745 -24.097 1099 HG3 LYS 140 HG3 LYS 140 1.028 -13.089 -24.543 1100 HD2 LYS 140 HD2 LYS 140 -1.936 -13.290 -23.881 1101 HD3 LYS 140 HD3 LYS 140 -1.238 -13.389 -25.496 1102 HE2 LYS 140 HE2 LYS 140 -0.185 -15.500 -24.997 1103 HE3 LYS 140 HE3 LYS 140 -0.547 -15.345 -23.277 1104 HZ1 LYS 140 HZ1 LYS 140 -2.057 -16.879 -24.357 1105 HZ2 LYS 140 HZ2 LYS 140 -2.559 -15.678 -25.434 1106 HZ3 LYS 140 HZ3 LYS 140 -2.896 -15.524 -23.789 1107 H SER 141 H SER 141 -0.737 -11.127 -21.167 1108 HA SER 141 HA SER 141 -0.000 -8.338 -21.023 1109 HB2 SER 141 HB2 SER 141 -1.949 -9.279 -23.188 1110 HB3 SER 141 HB3 SER 141 -1.786 -7.602 -22.673 1111 HG SER 141 HG SER 141 0.130 -9.232 -23.966 Start of MODEL 10 1 H1 MET 1 H1 MET 1 -10.819 20.586 32.934 2 H2 MET 1 H2 MET 1 -11.700 20.230 34.325 3 H3 MET 1 H3 MET 1 -10.485 21.404 34.371 4 HA MET 1 HA MET 1 -12.996 21.553 32.830 5 HB2 MET 1 HB2 MET 1 -12.100 23.034 35.340 6 HB3 MET 1 HB3 MET 1 -13.494 23.515 34.381 7 HG2 MET 1 HG2 MET 1 -14.523 21.302 34.847 8 HG3 MET 1 HG3 MET 1 -13.155 20.923 35.898 9 HE1 MET 1 HE1 MET 1 -16.209 20.811 36.887 10 HE2 MET 1 HE2 MET 1 -16.100 21.627 38.446 11 HE3 MET 1 HE3 MET 1 -14.859 20.470 37.975 12 H GLY 2 H GLY 2 -13.419 23.767 32.001 13 HA2 GLY 2 HA2 GLY 2 -12.817 25.821 31.123 14 HA3 GLY 2 HA3 GLY 2 -11.150 25.543 31.597 15 H HIS 3 H HIS 3 -12.998 23.215 29.676 16 HA HIS 3 HA HIS 3 -10.990 23.142 27.667 17 HB2 HIS 3 HB2 HIS 3 -12.412 21.503 26.501 18 HB3 HIS 3 HB3 HIS 3 -12.217 21.114 28.202 19 HD1 HIS 3 HD1 HIS 3 -14.331 21.061 29.659 20 HD2 HIS 3 HD2 HIS 3 -15.084 22.218 25.735 21 HE1 HIS 3 HE1 HIS 3 -16.835 21.008 29.393 22 HE2 HIS 3 HE2 HIS 3 -17.215 21.460 26.966 23 H HIS 4 H HIS 4 -14.278 24.514 27.741 24 HA HIS 4 HA HIS 4 -15.189 26.326 26.764 25 HB2 HIS 4 HB2 HIS 4 -13.079 27.477 27.262 26 HB3 HIS 4 HB3 HIS 4 -12.342 26.842 25.800 27 HD1 HIS 4 HD1 HIS 4 -12.230 28.499 23.941 28 HD2 HIS 4 HD2 HIS 4 -15.428 29.271 26.503 29 HE1 HIS 4 HE1 HIS 4 -13.293 30.616 23.094 30 HE2 HIS 4 HE2 HIS 4 -15.288 30.986 24.563 31 H HIS 5 H HIS 5 -13.994 23.815 24.855 32 HA HIS 5 HA HIS 5 -14.061 23.108 22.735 33 HB2 HIS 5 HB2 HIS 5 -16.196 25.243 22.359 34 HB3 HIS 5 HB3 HIS 5 -15.699 24.160 21.066 35 HD1 HIS 5 HD1 HIS 5 -18.245 24.488 23.492 36 HD2 HIS 5 HD2 HIS 5 -16.070 21.275 22.016 37 HE1 HIS 5 HE1 HIS 5 -19.620 22.457 24.012 38 HE2 HIS 5 HE2 HIS 5 -18.253 20.529 23.174 39 H HIS 6 H HIS 6 -12.139 23.397 21.868 40 HA HIS 6 HA HIS 6 -11.650 25.516 19.994 41 HB2 HIS 6 HB2 HIS 6 -9.574 26.396 20.954 42 HB3 HIS 6 HB3 HIS 6 -10.857 26.595 22.143 43 HD1 HIS 6 HD1 HIS 6 -7.460 25.761 22.080 44 HD2 HIS 6 HD2 HIS 6 -10.744 24.067 23.962 45 HE1 HIS 6 HE1 HIS 6 -6.527 24.396 23.966 46 HE2 HIS 6 HE2 HIS 6 -8.543 23.569 25.203 47 H HIS 7 H HIS 7 -9.939 24.986 18.578 48 HA HIS 7 HA HIS 7 -8.112 22.860 18.931 49 HB2 HIS 7 HB2 HIS 7 -9.005 21.332 17.095 50 HB3 HIS 7 HB3 HIS 7 -9.908 21.310 18.599 51 HD1 HIS 7 HD1 HIS 7 -12.291 22.379 18.576 52 HD2 HIS 7 HD2 HIS 7 -10.480 22.104 14.840 53 HE1 HIS 7 HE1 HIS 7 -14.140 22.692 16.907 54 HE2 HIS 7 HE2 HIS 7 -13.027 22.535 14.667 55 H HIS 8 H HIS 8 -6.398 23.585 17.836 56 HA HIS 8 HA HIS 8 -6.665 25.684 15.878 57 HB2 HIS 8 HB2 HIS 8 -4.848 25.694 17.603 58 HB3 HIS 8 HB3 HIS 8 -4.108 24.301 16.818 59 HD1 HIS 8 HD1 HIS 8 -2.215 24.993 15.348 60 HD2 HIS 8 HD2 HIS 8 -5.162 27.918 15.517 61 HE1 HIS 8 HE1 HIS 8 -1.390 26.869 13.899 62 HE2 HIS 8 HE2 HIS 8 -3.250 28.554 13.903 63 H SER 9 H SER 9 -7.875 24.441 14.372 64 HA SER 9 HA SER 9 -6.215 23.348 12.267 65 HB2 SER 9 HB2 SER 9 -6.816 21.307 13.588 66 HB3 SER 9 HB3 SER 9 -8.528 21.695 13.393 67 HG SER 9 HG SER 9 -8.265 20.437 11.696 68 H HIS 10 H HIS 10 -6.755 24.968 10.973 69 HA HIS 10 HA HIS 10 -9.553 25.276 10.105 70 HB2 HIS 10 HB2 HIS 10 -9.076 27.088 11.780 71 HB3 HIS 10 HB3 HIS 10 -7.692 27.609 10.826 72 HD1 HIS 10 HD1 HIS 10 -8.163 29.149 8.842 73 HD2 HIS 10 HD2 HIS 10 -11.621 27.690 10.633 74 HE1 HIS 10 HE1 HIS 10 -10.059 30.436 7.809 75 HE2 HIS 10 HE2 HIS 10 -12.135 29.509 8.871 76 H MET 11 H MET 11 -9.658 25.334 7.917 77 HA MET 11 HA MET 11 -7.362 25.003 6.281 78 HB2 MET 11 HB2 MET 11 -10.198 25.717 5.395 79 HB3 MET 11 HB3 MET 11 -8.927 25.034 4.387 80 HG2 MET 11 HG2 MET 11 -10.269 23.633 6.715 81 HG3 MET 11 HG3 MET 11 -10.605 23.361 5.002 82 HE1 MET 11 HE1 MET 11 -10.252 20.756 5.446 83 HE2 MET 11 HE2 MET 11 -9.823 21.036 7.136 84 HE3 MET 11 HE3 MET 11 -8.769 20.065 6.107 85 H GLN 12 H GLN 12 -6.139 26.872 6.888 86 HA GLN 12 HA GLN 12 -6.877 29.519 5.992 87 HB2 GLN 12 HB2 GLN 12 -4.542 30.131 6.514 88 HB3 GLN 12 HB3 GLN 12 -5.265 29.229 7.839 89 HG2 GLN 12 HG2 GLN 12 -4.071 27.188 7.094 90 HG3 GLN 12 HG3 GLN 12 -3.353 28.108 5.773 91 HE21 GLN 12 HE21 GLN 12 -1.239 27.665 6.514 92 HE22 GLN 12 HE22 GLN 12 -0.578 28.451 7.906 93 H GLU 13 H GLU 13 -5.732 26.691 4.569 94 HA GLU 13 HA GLU 13 -5.297 27.898 1.949 95 HB2 GLU 13 HB2 GLU 13 -3.184 26.554 1.663 96 HB3 GLU 13 HB3 GLU 13 -3.053 27.801 2.898 97 HG2 GLU 13 HG2 GLU 13 -3.519 26.014 4.639 98 HG3 GLU 13 HG3 GLU 13 -3.400 24.827 3.346 99 H LEU 14 H LEU 14 -5.081 26.103 0.301 100 HA LEU 14 HA LEU 14 -6.543 23.651 0.937 101 HB2 LEU 14 HB2 LEU 14 -8.209 25.583 0.376 102 HB3 LEU 14 HB3 LEU 14 -7.575 25.498 -1.256 103 HG LEU 14 HG LEU 14 -8.301 23.049 -1.314 104 HD11 LEU 14 HD11 LEU 14 -8.414 22.640 1.070 105 HD12 LEU 14 HD12 LEU 14 -9.992 22.342 0.343 106 HD13 LEU 14 HD13 LEU 14 -9.702 23.831 1.254 107 HD21 LEU 14 HD21 LEU 14 -9.627 24.792 -2.424 108 HD22 LEU 14 HD22 LEU 14 -10.497 25.112 -0.923 109 HD23 LEU 14 HD23 LEU 14 -10.670 23.552 -1.730 110 HA PRO 15 HA PRO 15 -3.584 22.227 -2.242 111 HB2 PRO 15 HB2 PRO 15 -5.561 19.952 -2.504 112 HB3 PRO 15 HB3 PRO 15 -3.804 19.903 -2.230 113 HG2 PRO 15 HG2 PRO 15 -5.460 19.368 -0.230 114 HG3 PRO 15 HG3 PRO 15 -4.001 20.347 0.059 115 HD2 PRO 15 HD2 PRO 15 -6.858 21.261 -0.276 116 HD3 PRO 15 HD3 PRO 15 -5.639 21.800 0.904 117 H ASP 16 H ASP 16 -3.588 23.115 -4.221 118 HA ASP 16 HA ASP 16 -5.996 23.849 -5.609 119 HB2 ASP 16 HB2 ASP 16 -4.485 24.837 -7.292 120 HB3 ASP 16 HB3 ASP 16 -4.027 25.319 -5.669 121 H SER 17 H SER 17 -6.080 23.433 -8.053 122 HA SER 17 HA SER 17 -6.625 20.666 -8.422 123 HB2 SER 17 HB2 SER 17 -7.954 22.477 -9.478 124 HB3 SER 17 HB3 SER 17 -6.560 22.945 -10.450 125 HG SER 17 HG SER 17 -8.342 21.373 -11.263 126 H GLY 18 H GLY 18 -4.682 19.514 -8.157 127 HA2 GLY 18 HA2 GLY 18 -2.822 19.504 -10.436 128 HA3 GLY 18 HA3 GLY 18 -2.150 19.756 -8.828 129 H ALA 19 H ALA 19 -1.584 17.603 -10.637 130 HA ALA 19 HA ALA 19 -3.017 15.232 -10.054 131 HB1 ALA 19 HB1 ALA 19 -1.211 14.083 -11.272 132 HB2 ALA 19 HB2 ALA 19 -0.233 15.553 -11.229 133 HB3 ALA 19 HB3 ALA 19 -1.749 15.522 -12.133 134 H LEU 20 H LEU 20 -2.544 13.480 -8.756 135 HA LEU 20 HA LEU 20 -1.181 13.952 -6.279 136 HB2 LEU 20 HB2 LEU 20 -3.261 12.482 -6.674 137 HB3 LEU 20 HB3 LEU 20 -2.183 11.286 -7.365 138 HG LEU 20 HG LEU 20 -0.929 11.481 -5.015 139 HD11 LEU 20 HD11 LEU 20 -2.231 13.368 -4.181 140 HD12 LEU 20 HD12 LEU 20 -2.429 11.953 -3.154 141 HD13 LEU 20 HD13 LEU 20 -3.712 12.411 -4.277 142 HD21 LEU 20 HD21 LEU 20 -3.561 9.999 -5.286 143 HD22 LEU 20 HD22 LEU 20 -2.271 9.642 -4.132 144 HD23 LEU 20 HD23 LEU 20 -1.990 9.434 -5.859 145 H MET 21 H MET 21 1.025 14.053 -6.352 146 HA MET 21 HA MET 21 2.545 12.062 -7.940 147 HB2 MET 21 HB2 MET 21 2.703 14.458 -8.730 148 HB3 MET 21 HB3 MET 21 3.422 14.898 -7.189 149 HG2 MET 21 HG2 MET 21 4.657 12.827 -9.022 150 HG3 MET 21 HG3 MET 21 5.008 14.546 -9.158 151 HE1 MET 21 HE1 MET 21 6.306 15.955 -7.297 152 HE2 MET 21 HE2 MET 21 6.768 15.294 -5.730 153 HE3 MET 21 HE3 MET 21 5.063 15.499 -6.127 154 H LEU 22 H LEU 22 3.031 10.533 -6.513 155 HA LEU 22 HA LEU 22 3.331 10.964 -3.706 156 HB2 LEU 22 HB2 LEU 22 3.842 8.491 -5.405 157 HB3 LEU 22 HB3 LEU 22 3.763 8.498 -3.650 158 HG LEU 22 HG LEU 22 1.427 9.278 -5.440 159 HD11 LEU 22 HD11 LEU 22 0.478 7.075 -4.972 160 HD12 LEU 22 HD12 LEU 22 1.931 6.613 -4.082 161 HD13 LEU 22 HD13 LEU 22 2.019 6.926 -5.817 162 HD21 LEU 22 HD21 LEU 22 1.532 8.656 -2.474 163 HD22 LEU 22 HD22 LEU 22 0.074 8.995 -3.409 164 HD23 LEU 22 HD23 LEU 22 1.296 10.246 -3.204 165 H VAL 23 H VAL 23 5.134 11.640 -2.721 166 HA VAL 23 HA VAL 23 7.808 10.980 -3.774 167 HB VAL 23 HB VAL 23 8.715 12.509 -2.083 168 HG11 VAL 23 HG11 VAL 23 6.372 13.779 -3.548 169 HG12 VAL 23 HG12 VAL 23 7.980 13.481 -4.214 170 HG13 VAL 23 HG13 VAL 23 7.776 14.634 -2.896 171 HG21 VAL 23 HG21 VAL 23 7.322 13.821 -0.550 172 HG22 VAL 23 HG22 VAL 23 7.116 12.097 -0.240 173 HG23 VAL 23 HG23 VAL 23 5.869 12.986 -1.118 174 HA PRO 24 HA PRO 24 8.355 7.415 -1.233 175 HB2 PRO 24 HB2 PRO 24 10.947 7.630 -0.269 176 HB3 PRO 24 HB3 PRO 24 10.544 7.194 -1.943 177 HG2 PRO 24 HG2 PRO 24 11.296 9.891 -0.840 178 HG3 PRO 24 HG3 PRO 24 11.883 9.069 -2.308 179 HD2 PRO 24 HD2 PRO 24 10.002 10.967 -2.479 180 HD3 PRO 24 HD3 PRO 24 9.916 9.520 -3.509 181 H ASN 25 H ASN 25 8.880 10.507 0.270 182 HA ASN 25 HA ASN 25 8.330 11.405 2.252 183 HB2 ASN 25 HB2 ASN 25 6.223 10.075 2.024 184 HB3 ASN 25 HB3 ASN 25 6.979 8.725 2.855 185 HD21 ASN 25 HD21 ASN 25 5.532 8.692 4.557 186 HD22 ASN 25 HD22 ASN 25 5.388 9.964 5.717 187 H ARG 26 H ARG 26 8.954 11.401 4.570 188 HA ARG 26 HA ARG 26 11.440 10.210 5.196 189 HB2 ARG 26 HB2 ARG 26 9.327 11.601 6.839 190 HB3 ARG 26 HB3 ARG 26 10.766 10.925 7.603 191 HG2 ARG 26 HG2 ARG 26 12.215 12.366 6.323 192 HG3 ARG 26 HG3 ARG 26 10.868 12.940 5.338 193 HD2 ARG 26 HD2 ARG 26 11.118 13.385 8.331 194 HD3 ARG 26 HD3 ARG 26 11.574 14.544 7.086 195 HE ARG 26 HE ARG 26 9.206 14.526 6.354 196 HH11 ARG 26 HH11 ARG 26 9.896 13.540 9.670 197 HH12 ARG 26 HH12 ARG 26 8.306 13.951 10.232 198 HH21 ARG 26 HH21 ARG 26 7.148 15.069 7.124 199 HH22 ARG 26 HH22 ARG 26 6.759 14.815 8.797 200 H GLN 27 H GLN 27 11.897 8.584 6.734 201 HA GLN 27 HA GLN 27 10.439 6.213 6.244 202 HB2 GLN 27 HB2 GLN 27 12.845 6.727 8.037 203 HB3 GLN 27 HB3 GLN 27 12.135 5.132 7.811 204 HG2 GLN 27 HG2 GLN 27 14.018 5.244 6.347 205 HG3 GLN 27 HG3 GLN 27 12.586 5.368 5.331 206 HE21 GLN 27 HE21 GLN 27 15.336 7.084 6.613 207 HE22 GLN 27 HE22 GLN 27 15.273 8.419 5.514 208 H LEU 28 H LEU 28 8.473 6.061 7.093 209 HA LEU 28 HA LEU 28 7.750 6.853 9.752 210 HB2 LEU 28 HB2 LEU 28 6.240 5.162 7.711 211 HB3 LEU 28 HB3 LEU 28 5.551 5.788 9.202 212 HG LEU 28 HG LEU 28 6.504 7.452 6.833 213 HD11 LEU 28 HD11 LEU 28 3.696 6.983 7.894 214 HD12 LEU 28 HD12 LEU 28 4.375 6.297 6.418 215 HD13 LEU 28 HD13 LEU 28 4.145 8.036 6.549 216 HD21 LEU 28 HD21 LEU 28 6.940 8.639 8.904 217 HD22 LEU 28 HD22 LEU 28 5.284 8.356 9.449 218 HD23 LEU 28 HD23 LEU 28 5.592 9.384 8.044 219 H THR 29 H THR 29 7.686 5.583 11.569 220 HA THR 29 HA THR 29 8.963 2.991 11.550 221 HB THR 29 HB THR 29 8.599 3.047 14.019 222 HG1 THR 29 HG1 THR 29 7.547 4.887 14.916 223 HG21 THR 29 HG21 THR 29 10.568 4.233 13.106 224 HG22 THR 29 HG22 THR 29 9.933 5.066 14.526 225 HG23 THR 29 HG23 THR 29 9.603 5.700 12.912 226 H ALA 30 H ALA 30 7.959 1.021 12.327 227 HA ALA 30 HA ALA 30 5.331 0.441 11.505 228 HB1 ALA 30 HB1 ALA 30 5.578 -1.693 12.698 229 HB2 ALA 30 HB2 ALA 30 7.004 -1.078 13.541 230 HB3 ALA 30 HB3 ALA 30 7.039 -1.303 11.792 231 H ASP 31 H ASP 31 6.588 1.623 14.598 232 HA ASP 31 HA ASP 31 4.276 1.448 16.180 233 HB2 ASP 31 HB2 ASP 31 6.452 3.593 16.159 234 HB3 ASP 31 HB3 ASP 31 5.203 3.480 17.395 235 H TYR 32 H TYR 32 5.363 4.027 13.951 236 HA TYR 32 HA TYR 32 3.239 5.827 14.452 237 HB2 TYR 32 HB2 TYR 32 5.366 6.577 13.433 238 HB3 TYR 32 HB3 TYR 32 5.048 5.612 11.998 239 HD1 TYR 32 HD2 TYR 32 4.095 8.663 13.861 240 HD2 TYR 32 HD1 TYR 32 3.453 6.419 10.282 241 HE1 TYR 32 HE2 TYR 32 2.933 10.581 12.858 242 HE2 TYR 32 HE1 TYR 32 2.290 8.337 9.281 243 HH TYR 32 HH TYR 32 2.419 11.451 10.578 244 H PHE 33 H PHE 33 3.882 3.546 11.796 245 HA PHE 33 HA PHE 33 1.665 4.010 10.216 246 HB2 PHE 33 HB2 PHE 33 3.688 2.550 9.656 247 HB3 PHE 33 HB3 PHE 33 2.965 1.259 10.607 248 HD1 PHE 33 HD1 PHE 33 0.499 0.547 9.878 249 HD2 PHE 33 HD2 PHE 33 3.199 2.701 7.362 250 HE1 PHE 33 HE1 PHE 33 -0.794 -0.138 7.900 251 HE2 PHE 33 HE2 PHE 33 1.907 1.998 5.408 252 HZ PHE 33 HZ PHE 33 -0.096 0.594 5.658 253 H GLU 34 H GLU 34 2.132 1.626 12.831 254 HA GLU 34 HA GLU 34 -0.285 0.299 12.939 255 HB2 GLU 34 HB2 GLU 34 1.589 -0.413 14.285 256 HB3 GLU 34 HB3 GLU 34 1.676 1.136 15.113 257 HG2 GLU 34 HG2 GLU 34 -0.621 0.563 16.103 258 HG3 GLU 34 HG3 GLU 34 -0.361 -1.070 15.495 259 H LYS 35 H LYS 35 0.640 3.222 14.777 260 HA LYS 35 HA LYS 35 -1.800 3.417 16.215 261 HB2 LYS 35 HB2 LYS 35 0.481 5.386 15.778 262 HB3 LYS 35 HB3 LYS 35 -0.869 5.694 16.874 263 HG2 LYS 35 HG2 LYS 35 -0.267 3.795 18.263 264 HG3 LYS 35 HG3 LYS 35 0.962 3.284 17.101 265 HD2 LYS 35 HD2 LYS 35 2.228 5.384 17.550 266 HD3 LYS 35 HD3 LYS 35 1.024 5.828 18.768 267 HE2 LYS 35 HE2 LYS 35 3.079 4.792 19.741 268 HE3 LYS 35 HE3 LYS 35 1.608 3.896 20.120 269 HZ1 LYS 35 HZ1 LYS 35 3.522 2.496 19.442 270 HZ2 LYS 35 HZ2 LYS 35 3.432 3.172 17.893 271 HZ3 LYS 35 HZ3 LYS 35 2.140 2.266 18.496 272 H THR 36 H THR 36 -0.515 5.216 13.438 273 HA THR 36 HA THR 36 -2.685 6.985 13.123 274 HB THR 36 HB THR 36 -0.793 6.078 10.899 275 HG1 THR 36 HG1 THR 36 0.743 6.971 12.037 276 HG21 THR 36 HG21 THR 36 -2.634 7.577 10.157 277 HG22 THR 36 HG22 THR 36 -1.082 8.408 10.084 278 HG23 THR 36 HG23 THR 36 -2.199 8.740 11.411 279 H TRP 37 H TRP 37 -1.983 3.773 11.756 280 HA TRP 37 HA TRP 37 -4.105 3.513 9.913 281 HB2 TRP 37 HB2 TRP 37 -2.154 1.992 9.939 282 HB3 TRP 37 HB3 TRP 37 -2.620 1.366 11.513 283 HD1 TRP 37 HD1 TRP 37 -4.613 -0.462 11.562 284 HE1 TRP 37 HE1 TRP 37 -5.629 -1.957 9.733 285 HE3 TRP 37 HE3 TRP 37 -2.776 1.917 7.418 286 HZ2 TRP 37 HZ2 TRP 37 -5.635 -2.131 6.924 287 HZ3 TRP 37 HZ3 TRP 37 -3.332 1.016 5.199 288 HH2 TRP 37 HH2 TRP 37 -4.732 -0.967 4.951 289 H LEU 38 H LEU 38 -3.869 2.549 13.356 290 HA LEU 38 HA LEU 38 -6.517 1.471 13.534 291 HB2 LEU 38 HB2 LEU 38 -4.602 2.320 15.754 292 HB3 LEU 38 HB3 LEU 38 -6.059 1.362 15.982 293 HG LEU 38 HG LEU 38 -3.570 0.491 14.459 294 HD11 LEU 38 HD11 LEU 38 -3.234 0.516 16.884 295 HD12 LEU 38 HD12 LEU 38 -3.258 -1.133 16.268 296 HD13 LEU 38 HD13 LEU 38 -4.668 -0.489 17.114 297 HD21 LEU 38 HD21 LEU 38 -4.641 -1.720 14.273 298 HD22 LEU 38 HD22 LEU 38 -5.526 -0.476 13.393 299 HD23 LEU 38 HD23 LEU 38 -6.130 -1.055 14.949 300 H SER 39 H SER 39 -5.148 4.659 13.983 301 HA SER 39 HA SER 39 -7.481 5.779 15.302 302 HB2 SER 39 HB2 SER 39 -4.951 7.105 14.209 303 HB3 SER 39 HB3 SER 39 -6.233 7.955 15.079 304 HG SER 39 HG SER 39 -4.682 5.797 16.100 305 H LEU 40 H LEU 40 -6.660 5.076 12.050 306 HA LEU 40 HA LEU 40 -8.503 7.117 10.955 307 HB2 LEU 40 HB2 LEU 40 -6.327 5.427 9.657 308 HB3 LEU 40 HB3 LEU 40 -7.470 6.382 8.728 309 HG LEU 40 HG LEU 40 -5.521 7.576 10.735 310 HD11 LEU 40 HD11 LEU 40 -4.296 6.543 8.891 311 HD12 LEU 40 HD12 LEU 40 -4.220 8.299 8.779 312 HD13 LEU 40 HD13 LEU 40 -5.303 7.394 7.717 313 HD21 LEU 40 HD21 LEU 40 -7.515 8.933 10.356 314 HD22 LEU 40 HD22 LEU 40 -7.259 8.844 8.611 315 HD23 LEU 40 HD23 LEU 40 -6.096 9.696 9.634 316 H LYS 41 H LYS 41 -9.855 6.351 9.123 317 HA LYS 41 HA LYS 41 -10.820 3.560 9.417 318 HB2 LYS 41 HB2 LYS 41 -12.232 6.013 8.292 319 HB3 LYS 41 HB3 LYS 41 -12.924 4.399 8.346 320 HG2 LYS 41 HG2 LYS 41 -12.087 5.825 10.882 321 HG3 LYS 41 HG3 LYS 41 -13.636 6.154 10.121 322 HD2 LYS 41 HD2 LYS 41 -14.034 4.568 11.863 323 HD3 LYS 41 HD3 LYS 41 -14.194 3.705 10.338 324 HE2 LYS 41 HE2 LYS 41 -13.024 2.332 11.989 325 HE3 LYS 41 HE3 LYS 41 -11.934 2.740 10.665 326 HZ1 LYS 41 HZ1 LYS 41 -10.830 2.961 12.776 327 HZ2 LYS 41 HZ2 LYS 41 -12.004 4.032 13.342 328 HZ3 LYS 41 HZ3 LYS 41 -10.988 4.489 12.070 329 H VAL 42 H VAL 42 -11.275 2.402 7.439 330 HA VAL 42 HA VAL 42 -9.247 2.620 5.468 331 HB VAL 42 HB VAL 42 -11.843 0.984 5.384 332 HG11 VAL 42 HG11 VAL 42 -10.810 1.150 3.157 333 HG12 VAL 42 HG12 VAL 42 -10.669 -0.488 3.788 334 HG13 VAL 42 HG13 VAL 42 -9.267 0.586 3.807 335 HG21 VAL 42 HG21 VAL 42 -9.089 0.163 6.388 336 HG22 VAL 42 HG22 VAL 42 -10.501 -0.892 6.263 337 HG23 VAL 42 HG23 VAL 42 -10.513 0.467 7.386 338 H ALA 43 H ALA 43 -9.235 3.631 3.511 339 HA ALA 43 HA ALA 43 -11.423 5.428 2.791 340 HB1 ALA 43 HB1 ALA 43 -8.691 5.021 1.518 341 HB2 ALA 43 HB2 ALA 43 -9.101 6.229 2.739 342 HB3 ALA 43 HB3 ALA 43 -9.836 6.313 1.138 343 H HIS 44 H HIS 44 -9.625 2.723 1.322 344 HA HIS 44 HA HIS 44 -12.000 1.794 -0.112 345 HB2 HIS 44 HB2 HIS 44 -10.938 3.231 -1.776 346 HB3 HIS 44 HB3 HIS 44 -9.359 2.522 -1.468 347 HD2 HIS 44 HD2 HIS 44 -8.689 0.621 -3.268 348 HE1 HIS 44 HE1 HIS 44 -12.596 -0.262 -4.606 349 HE2 HIS 44 HE2 HIS 44 -10.131 -0.629 -5.018 350 H GLN 45 H GLN 45 -11.878 -0.460 -0.667 351 HA GLN 45 HA GLN 45 -9.403 -1.924 -0.216 352 HB2 GLN 45 HB2 GLN 45 -10.594 -1.877 2.019 353 HB3 GLN 45 HB3 GLN 45 -11.938 -2.749 1.287 354 HG2 GLN 45 HG2 GLN 45 -10.435 -4.654 0.802 355 HG3 GLN 45 HG3 GLN 45 -9.083 -3.769 1.516 356 HE21 GLN 45 HE21 GLN 45 -9.104 -3.384 3.789 357 HE22 GLN 45 HE22 GLN 45 -10.040 -4.368 4.857 358 H GLN 46 H GLN 46 -9.209 -3.526 -1.707 359 HA GLN 46 HA GLN 46 -11.521 -4.567 -3.199 360 HB2 GLN 46 HB2 GLN 46 -10.802 -2.455 -4.311 361 HB3 GLN 46 HB3 GLN 46 -9.167 -3.084 -4.464 362 HG2 GLN 46 HG2 GLN 46 -9.893 -4.779 -6.022 363 HG3 GLN 46 HG3 GLN 46 -11.590 -4.352 -5.781 364 HE21 GLN 46 HE21 GLN 46 -10.100 -4.365 -8.280 365 HE22 GLN 46 HE22 GLN 46 -10.155 -2.759 -8.909 366 H VAL 47 H VAL 47 -11.221 -6.705 -3.618 367 HA VAL 47 HA VAL 47 -8.568 -7.935 -3.229 368 HB VAL 47 HB VAL 47 -11.278 -9.336 -3.597 369 HG11 VAL 47 HG11 VAL 47 -9.363 -10.771 -4.187 370 HG12 VAL 47 HG12 VAL 47 -10.135 -11.335 -2.707 371 HG13 VAL 47 HG13 VAL 47 -8.610 -10.448 -2.621 372 HG21 VAL 47 HG21 VAL 47 -11.283 -9.696 -1.164 373 HG22 VAL 47 HG22 VAL 47 -11.282 -7.973 -1.541 374 HG23 VAL 47 HG23 VAL 47 -9.795 -8.757 -1.000 375 H LEU 48 H LEU 48 -7.532 -9.051 -4.874 376 HA LEU 48 HA LEU 48 -8.572 -8.915 -7.618 377 HB2 LEU 48 HB2 LEU 48 -5.880 -7.864 -6.638 378 HB3 LEU 48 HB3 LEU 48 -6.262 -8.120 -8.333 379 HG LEU 48 HG LEU 48 -7.581 -6.105 -6.477 380 HD11 LEU 48 HD11 LEU 48 -5.783 -5.733 -8.894 381 HD12 LEU 48 HD12 LEU 48 -5.327 -5.470 -7.206 382 HD13 LEU 48 HD13 LEU 48 -6.544 -4.440 -7.959 383 HD21 LEU 48 HD21 LEU 48 -8.173 -6.698 -9.392 384 HD22 LEU 48 HD22 LEU 48 -8.825 -5.347 -8.461 385 HD23 LEU 48 HD23 LEU 48 -9.244 -6.999 -8.021 386 HA PRO 49 HA PRO 49 -6.805 -13.111 -7.368 387 HB2 PRO 49 HB2 PRO 49 -7.451 -13.933 -9.906 388 HB3 PRO 49 HB3 PRO 49 -8.665 -13.810 -8.616 389 HG2 PRO 49 HG2 PRO 49 -8.065 -11.881 -10.828 390 HG3 PRO 49 HG3 PRO 49 -9.641 -12.435 -10.221 391 HD2 PRO 49 HD2 PRO 49 -8.549 -10.029 -9.498 392 HD3 PRO 49 HD3 PRO 49 -9.610 -10.970 -8.417 393 H TRP 50 H TRP 50 -4.616 -12.962 -7.267 394 HA TRP 50 HA TRP 50 -2.911 -11.568 -9.044 395 HB2 TRP 50 HB2 TRP 50 -2.304 -12.100 -6.684 396 HB3 TRP 50 HB3 TRP 50 -2.223 -13.818 -7.080 397 HD1 TRP 50 HD1 TRP 50 0.009 -14.688 -8.274 398 HE1 TRP 50 HE1 TRP 50 2.220 -13.564 -8.936 399 HE3 TRP 50 HE3 TRP 50 -1.237 -9.808 -7.356 400 HZ2 TRP 50 HZ2 TRP 50 3.306 -10.966 -9.036 401 HZ3 TRP 50 HZ3 TRP 50 0.451 -8.063 -7.744 402 HH2 TRP 50 HH2 TRP 50 2.678 -8.632 -8.566 403 H ARG 51 H ARG 51 -1.693 -12.248 -10.778 404 HA ARG 51 HA ARG 51 -2.531 -14.622 -12.207 405 HB2 ARG 51 HB2 ARG 51 -1.886 -12.184 -13.148 406 HB3 ARG 51 HB3 ARG 51 -0.257 -12.844 -13.198 407 HG2 ARG 51 HG2 ARG 51 -2.685 -14.019 -14.612 408 HG3 ARG 51 HG3 ARG 51 -1.456 -13.023 -15.381 409 HD2 ARG 51 HD2 ARG 51 0.210 -14.753 -15.145 410 HD3 ARG 51 HD3 ARG 51 -0.823 -15.685 -14.057 411 HE ARG 51 HE ARG 51 -2.154 -15.385 -16.506 412 HH11 ARG 51 HH11 ARG 51 0.663 -17.102 -15.215 413 HH12 ARG 51 HH12 ARG 51 0.549 -18.392 -16.371 414 HH21 ARG 51 HH21 ARG 51 -2.282 -17.070 -18.003 415 HH22 ARG 51 HH22 ARG 51 -1.121 -18.366 -17.959 416 H GLY 52 H GLY 52 -1.747 -16.412 -11.196 417 HA2 GLY 52 HA2 GLY 52 -0.328 -18.176 -11.012 418 HA3 GLY 52 HA3 GLY 52 0.809 -17.292 -12.008 419 H GLU 53 H GLU 53 2.714 -17.158 -11.056 420 HA GLU 53 HA GLU 53 3.065 -17.723 -8.248 421 HB2 GLU 53 HB2 GLU 53 5.167 -17.139 -10.374 422 HB3 GLU 53 HB3 GLU 53 5.461 -17.823 -8.777 423 HG2 GLU 53 HG2 GLU 53 4.096 -19.825 -9.431 424 HG3 GLU 53 HG3 GLU 53 3.923 -19.129 -11.041 425 H PHE 54 H PHE 54 3.277 -16.248 -6.701 426 HA PHE 54 HA PHE 54 3.646 -13.420 -7.338 427 HB2 PHE 54 HB2 PHE 54 1.902 -14.023 -5.719 428 HB3 PHE 54 HB3 PHE 54 3.084 -14.826 -4.688 429 HD1 PHE 54 HD2 PHE 54 2.609 -11.482 -6.319 430 HD2 PHE 54 HD1 PHE 54 3.776 -13.604 -2.818 431 HE1 PHE 54 HE2 PHE 54 3.013 -9.351 -5.178 432 HE2 PHE 54 HE1 PHE 54 4.184 -11.473 -1.676 433 HZ PHE 54 HZ PHE 54 3.806 -9.347 -2.850 434 H HIS 55 H HIS 55 5.400 -12.206 -6.795 435 HA HIS 55 HA HIS 55 7.673 -13.464 -5.376 436 HB2 HIS 55 HB2 HIS 55 7.723 -11.818 -7.936 437 HB3 HIS 55 HB3 HIS 55 9.157 -12.032 -6.935 438 HD1 HIS 55 HD1 HIS 55 10.523 -14.054 -7.405 439 HD2 HIS 55 HD2 HIS 55 6.707 -14.364 -9.025 440 HE1 HIS 55 HE1 HIS 55 10.522 -16.187 -8.722 441 HE2 HIS 55 HE2 HIS 55 8.147 -16.457 -9.484 442 HA PRO 56 HA PRO 56 6.465 -9.815 -2.835 443 HB2 PRO 56 HB2 PRO 56 8.710 -10.921 -1.145 444 HB3 PRO 56 HB3 PRO 56 7.066 -10.434 -0.674 445 HG2 PRO 56 HG2 PRO 56 7.692 -13.012 -0.851 446 HG3 PRO 56 HG3 PRO 56 6.102 -12.429 -1.397 447 HD2 PRO 56 HD2 PRO 56 8.503 -13.199 -3.047 448 HD3 PRO 56 HD3 PRO 56 6.773 -13.493 -3.355 449 H ASP 57 H ASP 57 9.647 -10.860 -3.784 450 HA ASP 57 HA ASP 57 11.140 -8.510 -3.276 451 HB2 ASP 57 HB2 ASP 57 11.673 -10.783 -5.247 452 HB3 ASP 57 HB3 ASP 57 12.856 -9.578 -4.744 453 H THR 58 H THR 58 9.599 -9.744 -6.277 454 HA THR 58 HA THR 58 10.554 -7.689 -7.989 455 HB THR 58 HB THR 58 8.084 -9.452 -8.394 456 HG1 THR 58 HG1 THR 58 10.847 -9.878 -8.714 457 HG21 THR 58 HG21 THR 58 8.125 -7.557 -9.980 458 HG22 THR 58 HG22 THR 58 8.482 -9.071 -10.811 459 HG23 THR 58 HG23 THR 58 9.787 -7.947 -10.427 460 H LEU 59 H LEU 59 7.456 -8.147 -6.280 461 HA LEU 59 HA LEU 59 6.176 -5.794 -7.149 462 HB2 LEU 59 HB2 LEU 59 5.019 -7.705 -6.036 463 HB3 LEU 59 HB3 LEU 59 5.791 -7.278 -4.517 464 HG LEU 59 HG LEU 59 4.564 -5.098 -4.525 465 HD11 LEU 59 HD11 LEU 59 2.712 -4.706 -6.086 466 HD12 LEU 59 HD12 LEU 59 3.150 -6.150 -6.999 467 HD13 LEU 59 HD13 LEU 59 4.257 -4.775 -6.932 468 HD21 LEU 59 HD21 LEU 59 2.761 -7.530 -4.765 469 HD22 LEU 59 HD22 LEU 59 2.348 -6.003 -3.979 470 HD23 LEU 59 HD23 LEU 59 3.629 -7.013 -3.316 471 H GLN 60 H GLN 60 8.333 -6.423 -4.376 472 HA GLN 60 HA GLN 60 7.949 -3.942 -3.041 473 HB2 GLN 60 HB2 GLN 60 8.815 -6.140 -2.050 474 HB3 GLN 60 HB3 GLN 60 10.381 -5.751 -2.745 475 HG2 GLN 60 HG2 GLN 60 8.997 -3.810 -0.871 476 HG3 GLN 60 HG3 GLN 60 9.892 -5.181 -0.231 477 HE21 GLN 60 HE21 GLN 60 10.356 -2.239 -0.034 478 HE22 GLN 60 HE22 GLN 60 11.980 -2.010 -0.570 479 H MET 61 H MET 61 10.489 -5.094 -5.281 480 HA MET 61 HA MET 61 12.031 -2.712 -5.240 481 HB2 MET 61 HB2 MET 61 11.888 -4.947 -7.306 482 HB3 MET 61 HB3 MET 61 13.074 -3.646 -7.352 483 HG2 MET 61 HG2 MET 61 13.999 -4.383 -5.204 484 HG3 MET 61 HG3 MET 61 12.769 -5.645 -5.101 485 HE1 MET 61 HE1 MET 61 14.524 -7.577 -4.754 486 HE2 MET 61 HE2 MET 61 15.819 -6.377 -4.745 487 HE3 MET 61 HE3 MET 61 15.943 -7.802 -5.776 488 H ALA 62 H ALA 62 9.243 -3.723 -7.169 489 HA ALA 62 HA ALA 62 9.230 -1.554 -9.022 490 HB1 ALA 62 HB1 ALA 62 7.915 -3.606 -9.396 491 HB2 ALA 62 HB2 ALA 62 6.875 -2.180 -9.429 492 HB3 ALA 62 HB3 ALA 62 6.899 -3.226 -8.005 493 H LEU 63 H LEU 63 7.832 -2.047 -5.782 494 HA LEU 63 HA LEU 63 6.336 0.297 -5.497 495 HB2 LEU 63 HB2 LEU 63 7.823 -1.308 -3.378 496 HB3 LEU 63 HB3 LEU 63 6.679 -0.028 -3.003 497 HG LEU 63 HG LEU 63 5.933 -2.537 -4.552 498 HD11 LEU 63 HD11 LEU 63 5.524 -2.001 -1.603 499 HD12 LEU 63 HD12 LEU 63 6.649 -3.164 -2.303 500 HD13 LEU 63 HD13 LEU 63 4.914 -3.391 -2.505 501 HD21 LEU 63 HD21 LEU 63 3.629 -1.911 -4.068 502 HD22 LEU 63 HD22 LEU 63 4.450 -0.642 -4.975 503 HD23 LEU 63 HD23 LEU 63 4.176 -0.453 -3.240 504 H GLN 64 H GLN 64 9.763 -0.328 -4.700 505 HA GLN 64 HA GLN 64 10.592 2.127 -3.778 506 HB2 GLN 64 HB2 GLN 64 12.172 0.290 -5.639 507 HB3 GLN 64 HB3 GLN 64 12.860 1.561 -4.632 508 HG2 GLN 64 HG2 GLN 64 12.191 0.363 -2.602 509 HG3 GLN 64 HG3 GLN 64 11.411 -0.884 -3.581 510 HE21 GLN 64 HE21 GLN 64 12.728 -2.543 -2.810 511 HE22 GLN 64 HE22 GLN 64 14.403 -2.684 -3.195 512 H VAL 65 H VAL 65 10.277 1.112 -7.216 513 HA VAL 65 HA VAL 65 11.439 3.431 -8.356 514 HB VAL 65 HB VAL 65 9.463 1.456 -9.617 515 HG11 VAL 65 HG11 VAL 65 11.402 3.365 -10.984 516 HG12 VAL 65 HG12 VAL 65 9.642 3.505 -10.962 517 HG13 VAL 65 HG13 VAL 65 10.410 2.152 -11.794 518 HG21 VAL 65 HG21 VAL 65 11.447 0.304 -8.726 519 HG22 VAL 65 HG22 VAL 65 12.507 1.389 -9.626 520 HG23 VAL 65 HG23 VAL 65 11.443 0.275 -10.489 521 H VAL 66 H VAL 66 8.169 2.678 -7.291 522 HA VAL 66 HA VAL 66 7.083 5.157 -8.500 523 HB VAL 66 HB VAL 66 4.838 4.215 -7.999 524 HG11 VAL 66 HG11 VAL 66 6.607 2.326 -9.599 525 HG12 VAL 66 HG12 VAL 66 5.821 3.785 -10.207 526 HG13 VAL 66 HG13 VAL 66 4.845 2.411 -9.688 527 HG21 VAL 66 HG21 VAL 66 6.347 1.754 -7.044 528 HG22 VAL 66 HG22 VAL 66 4.599 1.879 -7.231 529 HG23 VAL 66 HG23 VAL 66 5.424 2.862 -6.030 530 H ASN 67 H ASN 67 8.725 4.620 -5.890 531 HA ASN 67 HA ASN 67 9.084 5.798 -3.987 532 HB2 ASN 67 HB2 ASN 67 6.942 7.638 -5.149 533 HB3 ASN 67 HB3 ASN 67 7.919 8.038 -3.742 534 HD21 ASN 67 HD21 ASN 67 10.427 6.951 -4.742 535 HD22 ASN 67 HD22 ASN 67 10.939 7.981 -6.032 536 H ILE 68 H ILE 68 7.011 3.667 -4.009 537 HA ILE 68 HA ILE 68 5.362 4.377 -1.694 538 HB ILE 68 HB ILE 68 5.529 1.756 -3.266 539 HG12 ILE 68 HG12 ILE 68 4.527 3.616 -4.583 540 HG13 ILE 68 HG13 ILE 68 3.339 2.372 -4.221 541 HG21 ILE 68 HG21 ILE 68 3.486 1.095 -2.015 542 HG22 ILE 68 HG22 ILE 68 3.611 2.565 -1.045 543 HG23 ILE 68 HG23 ILE 68 4.869 1.333 -0.946 544 HD11 ILE 68 HD11 ILE 68 3.612 5.045 -2.850 545 HD12 ILE 68 HD12 ILE 68 2.432 3.801 -2.430 546 HD13 ILE 68 HD13 ILE 68 2.375 4.571 -4.014 547 H GLN 69 H GLN 69 6.531 4.432 0.098 548 HA GLN 69 HA GLN 69 8.926 2.975 0.635 549 HB2 GLN 69 HB2 GLN 69 8.570 5.176 1.575 550 HB3 GLN 69 HB3 GLN 69 7.055 4.687 2.321 551 HG2 GLN 69 HG2 GLN 69 8.227 3.343 3.953 552 HG3 GLN 69 HG3 GLN 69 9.768 3.622 3.143 553 HE21 GLN 69 HE21 GLN 69 7.272 5.103 5.118 554 HE22 GLN 69 HE22 GLN 69 8.182 6.502 5.559 555 H THR 70 H THR 70 9.204 1.034 1.681 556 HA THR 70 HA THR 70 6.802 -0.508 2.436 557 HB THR 70 HB THR 70 9.673 -1.472 2.017 558 HG1 THR 70 HG1 THR 70 7.962 -0.694 0.202 559 HG21 THR 70 HG21 THR 70 8.398 -2.997 3.489 560 HG22 THR 70 HG22 THR 70 8.648 -3.739 1.909 561 HG23 THR 70 HG23 THR 70 7.075 -3.052 2.320 562 H ILE 71 H ILE 71 6.284 -0.439 4.515 563 HA ILE 71 HA ILE 71 8.178 0.240 6.639 564 HB ILE 71 HB ILE 71 5.192 -0.422 6.788 565 HG12 ILE 71 HG12 ILE 71 5.527 1.562 5.417 566 HG13 ILE 71 HG13 ILE 71 4.871 2.057 6.971 567 HG21 ILE 71 HG21 ILE 71 6.979 0.865 8.898 568 HG22 ILE 71 HG22 ILE 71 6.286 -0.759 8.961 569 HG23 ILE 71 HG23 ILE 71 5.230 0.651 9.010 570 HD11 ILE 71 HD11 ILE 71 7.727 2.308 6.047 571 HD12 ILE 71 HD12 ILE 71 7.161 2.705 7.669 572 HD13 ILE 71 HD13 ILE 71 6.558 3.607 6.281 573 H ALA 72 H ALA 72 5.880 -2.396 5.895 574 HA ALA 72 HA ALA 72 7.717 -4.377 7.091 575 HB1 ALA 72 HB1 ALA 72 4.722 -4.193 7.634 576 HB2 ALA 72 HB2 ALA 72 6.007 -3.861 8.795 577 HB3 ALA 72 HB3 ALA 72 5.787 -5.497 8.176 578 H MET 73 H MET 73 7.536 -6.456 6.133 579 HA MET 73 HA MET 73 5.468 -7.082 4.220 580 HB2 MET 73 HB2 MET 73 7.023 -5.827 2.757 581 HB3 MET 73 HB3 MET 73 8.364 -6.844 3.257 582 HG2 MET 73 HG2 MET 73 7.505 -8.722 2.073 583 HG3 MET 73 HG3 MET 73 5.933 -7.963 1.840 584 HE1 MET 73 HE1 MET 73 6.659 -5.289 -0.900 585 HE2 MET 73 HE2 MET 73 6.587 -5.043 0.842 586 HE3 MET 73 HE3 MET 73 5.416 -6.102 0.052 587 H SER 74 H SER 74 5.154 -9.261 4.123 588 HA SER 74 HA SER 74 6.650 -11.018 5.839 589 HB2 SER 74 HB2 SER 74 4.404 -11.661 3.879 590 HB3 SER 74 HB3 SER 74 5.008 -12.729 5.154 591 HG SER 74 HG SER 74 4.202 -10.179 5.928 592 H ARG 75 H ARG 75 7.363 -13.181 4.942 593 HA ARG 75 HA ARG 75 9.250 -12.619 2.742 594 HB2 ARG 75 HB2 ARG 75 9.198 -14.933 4.743 595 HB3 ARG 75 HB3 ARG 75 10.520 -14.542 3.645 596 HG2 ARG 75 HG2 ARG 75 9.562 -12.899 6.009 597 HG3 ARG 75 HG3 ARG 75 11.087 -13.772 5.878 598 HD2 ARG 75 HD2 ARG 75 11.906 -12.228 4.206 599 HD3 ARG 75 HD3 ARG 75 10.321 -11.467 4.053 600 HE ARG 75 HE ARG 75 11.829 -11.320 6.593 601 HH11 ARG 75 HH11 ARG 75 10.288 -9.674 3.876 602 HH12 ARG 75 HH12 ARG 75 10.431 -8.106 4.603 603 HH21 ARG 75 HH21 ARG 75 12.041 -9.247 7.513 604 HH22 ARG 75 HH22 ARG 75 11.427 -7.860 6.660 605 H ALA 76 H ALA 76 9.703 -14.484 1.252 606 HA ALA 76 HA ALA 76 7.346 -15.266 -0.121 607 HB1 ALA 76 HB1 ALA 76 9.470 -14.850 -1.297 608 HB2 ALA 76 HB2 ALA 76 8.885 -16.482 -1.627 609 HB3 ALA 76 HB3 ALA 76 10.205 -16.234 -0.482 610 H GLY 77 H GLY 77 6.070 -16.934 0.300 611 HA2 GLY 77 HA2 GLY 77 5.561 -19.216 0.735 612 HA3 GLY 77 HA3 GLY 77 7.040 -19.379 1.669 613 H SER 78 H SER 78 6.168 -16.604 2.896 614 HA SER 78 HA SER 78 4.907 -17.712 5.228 615 HB2 SER 78 HB2 SER 78 5.379 -14.786 4.480 616 HB3 SER 78 HB3 SER 78 4.997 -15.399 6.092 617 HG SER 78 HG SER 78 7.076 -16.769 5.348 618 H ARG 79 H ARG 79 2.767 -18.040 5.425 619 HA ARG 79 HA ARG 79 0.845 -16.537 3.765 620 HB2 ARG 79 HB2 ARG 79 1.008 -19.549 4.139 621 HB3 ARG 79 HB3 ARG 79 -0.412 -18.741 3.485 622 HG2 ARG 79 HG2 ARG 79 0.916 -17.896 1.599 623 HG3 ARG 79 HG3 ARG 79 2.364 -18.668 2.254 624 HD2 ARG 79 HD2 ARG 79 1.316 -20.884 1.974 625 HD3 ARG 79 HD3 ARG 79 -0.155 -20.116 1.360 626 HE ARG 79 HE ARG 79 1.814 -19.211 -0.313 627 HH11 ARG 79 HH11 ARG 79 0.660 -22.408 0.638 628 HH12 ARG 79 HH12 ARG 79 1.101 -23.144 -0.875 629 HH21 ARG 79 HH21 ARG 79 2.391 -20.189 -2.289 630 HH22 ARG 79 HH22 ARG 79 2.084 -21.886 -2.537 631 HA PRO 80 HA PRO 80 -1.239 -15.840 3.725 632 HB2 PRO 80 HB2 PRO 80 -2.566 -13.721 4.837 633 HB3 PRO 80 HB3 PRO 80 -3.294 -15.338 4.731 634 HG2 PRO 80 HG2 PRO 80 -1.936 -14.037 7.069 635 HG3 PRO 80 HG3 PRO 80 -3.473 -14.931 7.015 636 HD2 PRO 80 HD2 PRO 80 -1.163 -16.103 7.852 637 HD3 PRO 80 HD3 PRO 80 -2.424 -17.011 6.984 638 H TRP 81 H TRP 81 0.011 -14.465 2.586 639 HA TRP 81 HA TRP 81 2.224 -13.075 3.755 640 HB2 TRP 81 HB2 TRP 81 2.357 -14.029 1.478 641 HB3 TRP 81 HB3 TRP 81 1.076 -12.961 0.919 642 HD1 TRP 81 HD1 TRP 81 4.812 -12.939 1.829 643 HE1 TRP 81 HE1 TRP 81 5.874 -10.750 1.008 644 HE3 TRP 81 HE3 TRP 81 0.588 -10.502 0.290 645 HZ2 TRP 81 HZ2 TRP 81 5.049 -8.331 -0.170 646 HZ3 TRP 81 HZ3 TRP 81 0.812 -8.262 -0.695 647 HH2 TRP 81 HH2 TRP 81 2.997 -7.193 -0.921 648 H LYS 82 H LYS 82 2.248 -11.006 4.536 649 HA LYS 82 HA LYS 82 0.248 -9.057 3.551 650 HB2 LYS 82 HB2 LYS 82 -0.494 -9.897 5.721 651 HB3 LYS 82 HB3 LYS 82 1.075 -9.569 6.452 652 HG2 LYS 82 HG2 LYS 82 0.747 -7.179 6.209 653 HG3 LYS 82 HG3 LYS 82 -0.748 -7.424 5.304 654 HD2 LYS 82 HD2 LYS 82 -0.306 -8.202 8.217 655 HD3 LYS 82 HD3 LYS 82 -1.157 -6.763 7.656 656 HE2 LYS 82 HE2 LYS 82 -2.676 -8.449 6.373 657 HE3 LYS 82 HE3 LYS 82 -2.007 -9.644 7.485 658 HZ1 LYS 82 HZ1 LYS 82 -2.805 -8.276 9.339 659 HZ2 LYS 82 HZ2 LYS 82 -4.072 -8.732 8.323 660 HZ3 LYS 82 HZ3 LYS 82 -3.460 -7.160 8.250 661 H ALA 83 H ALA 83 0.890 -6.849 3.660 662 HA ALA 83 HA ALA 83 3.643 -6.166 4.332 663 HB1 ALA 83 HB1 ALA 83 4.020 -5.045 2.162 664 HB2 ALA 83 HB2 ALA 83 2.483 -5.675 1.556 665 HB3 ALA 83 HB3 ALA 83 3.801 -6.782 1.955 666 H TYR 84 H TYR 84 3.771 -4.101 5.045 667 HA TYR 84 HA TYR 84 1.386 -2.357 4.943 668 HB2 TYR 84 HB2 TYR 84 3.583 -2.602 7.055 669 HB3 TYR 84 HB3 TYR 84 2.419 -1.276 7.017 670 HD1 TYR 84 HD1 TYR 84 -0.121 -1.985 6.953 671 HD2 TYR 84 HD2 TYR 84 3.003 -4.540 8.339 672 HE1 TYR 84 HE1 TYR 84 -1.763 -3.304 8.215 673 HE2 TYR 84 HE2 TYR 84 1.361 -5.854 9.600 674 HH TYR 84 HH TYR 84 -2.005 -5.534 9.137 675 H LEU 85 H LEU 85 1.615 -0.683 3.648 676 HA LEU 85 HA LEU 85 4.295 0.276 2.822 677 HB2 LEU 85 HB2 LEU 85 1.736 0.150 1.167 678 HB3 LEU 85 HB3 LEU 85 3.309 0.700 0.611 679 HG LEU 85 HG LEU 85 2.587 -2.145 1.388 680 HD11 LEU 85 HD11 LEU 85 3.159 -0.903 -1.323 681 HD12 LEU 85 HD12 LEU 85 1.589 -1.453 -0.728 682 HD13 LEU 85 HD13 LEU 85 2.880 -2.618 -1.011 683 HD21 LEU 85 HD21 LEU 85 4.831 -2.757 0.559 684 HD22 LEU 85 HD22 LEU 85 4.911 -1.710 1.973 685 HD23 LEU 85 HD23 LEU 85 5.224 -1.046 0.366 686 H SER 86 H SER 86 4.518 2.495 2.574 687 HA SER 86 HA SER 86 2.286 4.235 3.394 688 HB2 SER 86 HB2 SER 86 3.855 5.539 4.798 689 HB3 SER 86 HB3 SER 86 3.753 3.869 5.361 690 HG SER 86 HG SER 86 5.688 3.962 3.566 691 H ALA 87 H ALA 87 2.256 6.206 2.388 692 HA ALA 87 HA ALA 87 4.540 7.164 0.841 693 HB1 ALA 87 HB1 ALA 87 3.159 7.523 -1.198 694 HB2 ALA 87 HB2 ALA 87 1.806 6.681 -0.434 695 HB3 ALA 87 HB3 ALA 87 3.295 5.809 -0.806 696 H GLN 88 H GLN 88 4.127 9.381 0.110 697 HA GLN 88 HA GLN 88 1.763 10.784 1.026 698 HB2 GLN 88 HB2 GLN 88 3.305 10.978 2.994 699 HB3 GLN 88 HB3 GLN 88 4.550 11.661 1.954 700 HG2 GLN 88 HG2 GLN 88 3.204 13.636 1.535 701 HG3 GLN 88 HG3 GLN 88 1.835 12.952 2.415 702 HE21 GLN 88 HE21 GLN 88 3.271 15.451 2.892 703 HE22 GLN 88 HE22 GLN 88 3.862 15.373 4.512 704 H ASP 89 H ASP 89 1.268 12.345 -0.484 705 HA ASP 89 HA ASP 89 3.137 12.554 -2.759 706 HB2 ASP 89 HB2 ASP 89 1.293 13.042 -4.112 707 HB3 ASP 89 HB3 ASP 89 0.539 12.008 -2.906 708 H ASP 90 H ASP 90 2.800 14.930 -3.863 709 HA ASP 90 HA ASP 90 4.344 16.673 -2.257 710 HB2 ASP 90 HB2 ASP 90 4.622 16.658 -4.655 711 HB3 ASP 90 HB3 ASP 90 2.946 17.105 -4.928 712 H THR 91 H THR 91 0.862 16.453 -2.700 713 HA THR 91 HA THR 91 0.322 19.126 -1.647 714 HB THR 91 HB THR 91 -2.028 18.681 -1.798 715 HG1 THR 91 HG1 THR 91 -1.623 15.969 -2.451 716 HG21 THR 91 HG21 THR 91 -0.925 19.006 -4.006 717 HG22 THR 91 HG22 THR 91 -2.348 17.970 -4.123 718 HG23 THR 91 HG23 THR 91 -0.739 17.252 -4.149 719 H GLY 92 H GLY 92 1.202 16.151 -0.303 720 HA2 GLY 92 HA2 GLY 92 1.883 15.930 1.928 721 HA3 GLY 92 HA3 GLY 92 0.808 17.242 2.380 722 H CYS 93 H CYS 93 -0.608 14.755 0.447 723 HA CYS 93 HA CYS 93 -2.292 13.869 2.614 724 HB2 CYS 93 HB2 CYS 93 -2.066 12.723 -0.204 725 HB3 CYS 93 HB3 CYS 93 -3.404 12.496 0.926 726 HG CYS 93 HG CYS 93 -2.928 14.836 -1.303 727 H LEU 94 H LEU 94 -1.819 12.258 3.974 728 HA LEU 94 HA LEU 94 0.529 10.551 3.526 729 HB2 LEU 94 HB2 LEU 94 -0.032 11.865 5.738 730 HB3 LEU 94 HB3 LEU 94 -1.192 10.590 6.047 731 HG LEU 94 HG LEU 94 1.028 10.354 7.254 732 HD11 LEU 94 HD11 LEU 94 0.352 8.023 5.439 733 HD12 LEU 94 HD12 LEU 94 -0.429 8.411 6.972 734 HD13 LEU 94 HD13 LEU 94 1.271 7.957 6.949 735 HD21 LEU 94 HD21 LEU 94 2.507 11.146 5.462 736 HD22 LEU 94 HD22 LEU 94 2.143 9.710 4.503 737 HD23 LEU 94 HD23 LEU 94 2.996 9.554 6.042 738 H PHE 95 H PHE 95 0.266 8.521 2.795 739 HA PHE 95 HA PHE 95 -2.390 7.216 2.824 740 HB2 PHE 95 HB2 PHE 95 -0.096 6.941 0.831 741 HB3 PHE 95 HB3 PHE 95 -1.573 5.982 0.793 742 HD1 PHE 95 HD1 PHE 95 -3.782 7.122 0.339 743 HD2 PHE 95 HD2 PHE 95 -0.049 9.168 -0.105 744 HE1 PHE 95 HE1 PHE 95 -4.874 8.827 -1.059 745 HE2 PHE 95 HE2 PHE 95 -1.155 10.867 -1.505 746 HZ PHE 95 HZ PHE 95 -3.564 10.694 -1.980 747 H LEU 96 H LEU 96 -2.546 5.367 3.854 748 HA LEU 96 HA LEU 96 -0.187 3.717 4.539 749 HB2 LEU 96 HB2 LEU 96 -2.814 4.056 6.062 750 HB3 LEU 96 HB3 LEU 96 -1.478 3.022 6.547 751 HG LEU 96 HG LEU 96 -1.330 6.051 6.369 752 HD11 LEU 96 HD11 LEU 96 -2.875 5.345 8.128 753 HD12 LEU 96 HD12 LEU 96 -1.423 6.088 8.783 754 HD13 LEU 96 HD13 LEU 96 -1.615 4.331 8.843 755 HD21 LEU 96 HD21 LEU 96 0.652 4.095 7.550 756 HD22 LEU 96 HD22 LEU 96 0.770 5.858 7.585 757 HD23 LEU 96 HD23 LEU 96 0.846 5.002 6.048 758 H THR 97 H THR 97 -0.272 1.760 3.589 759 HA THR 97 HA THR 97 -2.826 0.664 2.571 760 HB THR 97 HB THR 97 -0.108 0.563 1.154 761 HG1 THR 97 HG1 THR 97 -2.057 2.467 1.213 762 HG21 THR 97 HG21 THR 97 -1.592 -1.378 0.596 763 HG22 THR 97 HG22 THR 97 -1.364 -0.298 -0.779 764 HG23 THR 97 HG23 THR 97 -2.872 -0.248 0.132 765 H GLU 98 H GLU 98 -3.070 -1.565 2.626 766 HA GLU 98 HA GLU 98 -0.867 -3.249 3.649 767 HB2 GLU 98 HB2 GLU 98 -2.597 -2.980 5.383 768 HB3 GLU 98 HB3 GLU 98 -3.854 -3.478 4.257 769 HG2 GLU 98 HG2 GLU 98 -2.760 -5.731 4.105 770 HG3 GLU 98 HG3 GLU 98 -1.598 -5.219 5.328 771 H LEU 99 H LEU 99 -0.207 -4.482 1.969 772 HA LEU 99 HA LEU 99 -2.170 -5.570 0.038 773 HB2 LEU 99 HB2 LEU 99 0.887 -5.613 -0.018 774 HB3 LEU 99 HB3 LEU 99 -0.150 -6.333 -1.238 775 HG LEU 99 HG LEU 99 0.215 -3.368 -0.663 776 HD11 LEU 99 HD11 LEU 99 2.004 -4.387 -1.998 777 HD12 LEU 99 HD12 LEU 99 1.051 -3.274 -2.974 778 HD13 LEU 99 HD13 LEU 99 0.818 -5.016 -3.147 779 HD21 LEU 99 HD21 LEU 99 -2.151 -3.728 -1.136 780 HD22 LEU 99 HD22 LEU 99 -1.750 -4.631 -2.597 781 HD23 LEU 99 HD23 LEU 99 -1.367 -2.911 -2.488 782 H LEU 100 H LEU 100 -2.766 -7.675 0.229 783 HA LEU 100 HA LEU 100 -1.307 -9.449 2.109 784 HB2 LEU 100 HB2 LEU 100 -3.334 -8.098 3.079 785 HB3 LEU 100 HB3 LEU 100 -4.347 -9.161 2.126 786 HG LEU 100 HG LEU 100 -2.466 -10.073 4.353 787 HD11 LEU 100 HD11 LEU 100 -4.494 -10.415 5.691 788 HD12 LEU 100 HD12 LEU 100 -5.482 -9.725 4.402 789 HD13 LEU 100 HD13 LEU 100 -4.296 -8.721 5.242 790 HD21 LEU 100 HD21 LEU 100 -3.652 -12.221 4.237 791 HD22 LEU 100 HD22 LEU 100 -2.812 -11.860 2.733 792 HD23 LEU 100 HD23 LEU 100 -4.564 -11.652 2.836 793 H LEU 101 H LEU 101 -0.864 -11.342 0.993 794 HA LEU 101 HA LEU 101 -2.651 -12.179 -1.204 795 HB2 LEU 101 HB2 LEU 101 -0.200 -12.037 -1.737 796 HB3 LEU 101 HB3 LEU 101 0.137 -13.198 -0.463 797 HG LEU 101 HG LEU 101 -1.309 -14.876 -1.745 798 HD11 LEU 101 HD11 LEU 101 -1.094 -12.848 -3.978 799 HD12 LEU 101 HD12 LEU 101 -2.568 -13.316 -3.125 800 HD13 LEU 101 HD13 LEU 101 -1.715 -14.496 -4.116 801 HD21 LEU 101 HD21 LEU 101 1.189 -13.877 -3.146 802 HD22 LEU 101 HD22 LEU 101 0.463 -15.476 -3.330 803 HD23 LEU 101 HD23 LEU 101 1.137 -14.990 -1.777 804 H GLU 102 H GLU 102 -3.962 -13.888 -0.859 805 HA GLU 102 HA GLU 102 -4.552 -14.801 1.737 806 HB2 GLU 102 HB2 GLU 102 -5.448 -15.886 -0.966 807 HB3 GLU 102 HB3 GLU 102 -6.229 -16.247 0.568 808 HG2 GLU 102 HG2 GLU 102 -6.080 -13.549 -0.802 809 HG3 GLU 102 HG3 GLU 102 -7.504 -14.576 -0.656 810 HA PRO 103 HA PRO 103 -1.860 -18.265 2.303 811 HB2 PRO 103 HB2 PRO 103 -3.276 -19.873 4.006 812 HB3 PRO 103 HB3 PRO 103 -2.626 -18.297 4.504 813 HG2 PRO 103 HG2 PRO 103 -5.426 -19.007 3.691 814 HG3 PRO 103 HG3 PRO 103 -4.863 -17.973 5.023 815 HD2 PRO 103 HD2 PRO 103 -5.755 -16.955 2.644 816 HD3 PRO 103 HD3 PRO 103 -4.540 -16.142 3.657 817 H GLY 104 H GLY 104 -1.648 -19.167 0.272 818 HA2 GLY 104 HA2 GLY 104 -1.600 -21.128 -1.021 819 HA3 GLY 104 HA3 GLY 104 -3.078 -21.686 -0.255 820 H ASN 105 H ASN 105 -4.456 -19.110 -0.710 821 HA ASN 105 HA ASN 105 -5.397 -19.552 -3.410 822 HB2 ASN 105 HB2 ASN 105 -6.260 -17.621 -1.221 823 HB3 ASN 105 HB3 ASN 105 -6.997 -17.652 -2.814 824 HD21 ASN 105 HD21 ASN 105 -9.007 -18.126 -1.955 825 HD22 ASN 105 HD22 ASN 105 -9.406 -19.678 -1.299 826 H SER 106 H SER 106 -5.020 -18.267 -5.167 827 HA SER 106 HA SER 106 -2.944 -16.194 -4.973 828 HB2 SER 106 HB2 SER 106 -4.218 -17.487 -7.429 829 HB3 SER 106 HB3 SER 106 -2.865 -16.350 -7.455 830 HG SER 106 HG SER 106 -2.789 -18.757 -5.975 831 H GLU 107 H GLU 107 -4.955 -15.215 -3.695 832 HA GLU 107 HA GLU 107 -6.007 -13.086 -5.473 833 HB2 GLU 107 HB2 GLU 107 -7.441 -14.291 -3.037 834 HB3 GLU 107 HB3 GLU 107 -7.955 -12.850 -3.904 835 HG2 GLU 107 HG2 GLU 107 -9.367 -14.388 -4.861 836 HG3 GLU 107 HG3 GLU 107 -8.029 -14.485 -5.995 837 H MET 108 H MET 108 -5.775 -10.992 -4.590 838 HA MET 108 HA MET 108 -4.227 -10.752 -2.080 839 HB2 MET 108 HB2 MET 108 -2.757 -10.399 -4.025 840 HB3 MET 108 HB3 MET 108 -3.865 -9.210 -4.697 841 HG2 MET 108 HG2 MET 108 -3.406 -7.686 -2.849 842 HG3 MET 108 HG3 MET 108 -2.373 -8.885 -2.070 843 HE1 MET 108 HE1 MET 108 0.004 -9.642 -3.027 844 HE2 MET 108 HE2 MET 108 0.652 -9.077 -4.566 845 HE3 MET 108 HE3 MET 108 -0.767 -10.122 -4.540 846 H GLN 109 H GLN 109 -5.070 -9.312 -0.651 847 HA GLN 109 HA GLN 109 -7.382 -7.666 -1.331 848 HB2 GLN 109 HB2 GLN 109 -6.063 -8.246 1.373 849 HB3 GLN 109 HB3 GLN 109 -7.566 -7.356 1.129 850 HG2 GLN 109 HG2 GLN 109 -8.637 -9.386 0.269 851 HG3 GLN 109 HG3 GLN 109 -7.122 -10.276 0.494 852 HE21 GLN 109 HE21 GLN 109 -6.389 -10.659 2.644 853 HE22 GLN 109 HE22 GLN 109 -7.462 -10.560 3.995 854 H ILE 110 H ILE 110 -6.973 -5.605 -1.843 855 HA ILE 110 HA ILE 110 -4.531 -4.223 -0.924 856 HB ILE 110 HB ILE 110 -6.545 -3.474 -3.127 857 HG12 ILE 110 HG12 ILE 110 -4.427 -3.663 -4.629 858 HG13 ILE 110 HG13 ILE 110 -3.665 -4.488 -3.279 859 HG21 ILE 110 HG21 ILE 110 -5.742 -1.443 -2.012 860 HG22 ILE 110 HG22 ILE 110 -5.050 -1.553 -3.628 861 HG23 ILE 110 HG23 ILE 110 -4.063 -1.956 -2.222 862 HD11 ILE 110 HD11 ILE 110 -6.115 -5.435 -4.768 863 HD12 ILE 110 HD12 ILE 110 -5.333 -6.271 -3.424 864 HD13 ILE 110 HD13 ILE 110 -4.473 -6.055 -4.947 865 H SER 111 H SER 111 -4.909 -3.141 0.979 866 HA SER 111 HA SER 111 -7.562 -1.904 1.444 867 HB2 SER 111 HB2 SER 111 -6.864 -3.690 3.083 868 HB3 SER 111 HB3 SER 111 -5.446 -2.730 3.503 869 HG SER 111 HG SER 111 -7.102 -2.346 4.975 870 H VAL 112 H VAL 112 -7.376 0.140 0.798 871 HA VAL 112 HA VAL 112 -4.929 1.716 1.252 872 HB VAL 112 HB VAL 112 -7.387 2.353 -0.485 873 HG11 VAL 112 HG11 VAL 112 -4.738 3.832 -0.224 874 HG12 VAL 112 HG12 VAL 112 -6.312 4.396 0.345 875 HG13 VAL 112 HG13 VAL 112 -6.017 4.206 -1.383 876 HG21 VAL 112 HG21 VAL 112 -4.605 1.426 -1.311 877 HG22 VAL 112 HG22 VAL 112 -5.893 1.920 -2.416 878 HG23 VAL 112 HG23 VAL 112 -6.094 0.484 -1.413 879 H LYS 113 H LYS 113 -4.936 3.121 2.867 880 HA LYS 113 HA LYS 113 -7.402 4.354 3.913 881 HB2 LYS 113 HB2 LYS 113 -6.655 2.476 5.372 882 HB3 LYS 113 HB3 LYS 113 -5.041 3.167 5.472 883 HG2 LYS 113 HG2 LYS 113 -5.864 5.051 6.738 884 HG3 LYS 113 HG3 LYS 113 -7.538 4.517 6.543 885 HD2 LYS 113 HD2 LYS 113 -5.360 2.957 7.996 886 HD3 LYS 113 HD3 LYS 113 -6.586 3.949 8.782 887 HE2 LYS 113 HE2 LYS 113 -8.351 2.479 7.834 888 HE3 LYS 113 HE3 LYS 113 -7.095 1.468 7.112 889 HZ1 LYS 113 HZ1 LYS 113 -7.918 0.564 9.198 890 HZ2 LYS 113 HZ2 LYS 113 -7.451 1.959 10.024 891 HZ3 LYS 113 HZ3 LYS 113 -6.281 0.956 9.330 892 H GLN 114 H GLN 114 -6.957 6.515 4.780 893 HA GLN 114 HA GLN 114 -4.273 7.631 4.430 894 HB2 GLN 114 HB2 GLN 114 -5.115 9.471 2.931 895 HB3 GLN 114 HB3 GLN 114 -5.094 7.877 2.183 896 HG2 GLN 114 HG2 GLN 114 -7.543 7.680 2.613 897 HG3 GLN 114 HG3 GLN 114 -7.536 9.329 3.242 898 HE21 GLN 114 HE21 GLN 114 -9.007 8.272 0.958 899 HE22 GLN 114 HE22 GLN 114 -8.506 9.203 -0.406 900 H ASN 115 H ASN 115 -3.994 9.683 5.311 901 HA ASN 115 HA ASN 115 -4.985 10.180 7.814 902 HB2 ASN 115 HB2 ASN 115 -3.852 12.354 7.691 903 HB3 ASN 115 HB3 ASN 115 -2.866 11.106 6.944 904 HD21 ASN 115 HD21 ASN 115 -4.242 11.064 4.366 905 HD22 ASN 115 HD22 ASN 115 -3.884 12.560 3.590 906 H GLU 116 H GLU 116 -6.034 11.711 4.802 907 HA GLU 116 HA GLU 116 -8.654 12.319 5.951 908 HB2 GLU 116 HB2 GLU 116 -6.879 14.332 4.486 909 HB3 GLU 116 HB3 GLU 116 -8.615 14.545 4.673 910 HG2 GLU 116 HG2 GLU 116 -8.296 14.516 7.155 911 HG3 GLU 116 HG3 GLU 116 -6.556 14.436 6.880 912 H ALA 117 H ALA 117 -10.143 11.448 4.596 913 HA ALA 117 HA ALA 117 -9.350 10.359 2.047 914 HB1 ALA 117 HB1 ALA 117 -11.644 9.427 2.028 915 HB2 ALA 117 HB2 ALA 117 -12.036 10.377 3.461 916 HB3 ALA 117 HB3 ALA 117 -10.823 9.101 3.554 917 H ARG 118 H ARG 118 -9.120 11.769 0.404 918 HA ARG 118 HA ARG 118 -11.370 13.595 -0.274 919 HB2 ARG 118 HB2 ARG 118 -9.135 14.676 0.025 920 HB3 ARG 118 HB3 ARG 118 -8.461 13.628 -1.211 921 HG2 ARG 118 HG2 ARG 118 -9.962 14.691 -2.893 922 HG3 ARG 118 HG3 ARG 118 -10.588 15.757 -1.629 923 HD2 ARG 118 HD2 ARG 118 -7.755 15.652 -2.721 924 HD3 ARG 118 HD3 ARG 118 -8.908 16.985 -2.862 925 HE ARG 118 HE ARG 118 -8.720 16.954 -0.261 926 HH11 ARG 118 HH11 ARG 118 -6.005 16.434 -2.476 927 HH12 ARG 118 HH12 ARG 118 -4.840 17.039 -1.339 928 HH21 ARG 118 HH21 ARG 118 -7.176 17.703 1.192 929 HH22 ARG 118 HH22 ARG 118 -5.501 17.758 0.732 930 H THR 119 H THR 119 -12.362 13.251 -2.291 931 HA THR 119 HA THR 119 -12.444 10.745 -3.455 932 HB THR 119 HB THR 119 -13.148 13.425 -4.757 933 HG1 THR 119 HG1 THR 119 -14.596 11.736 -2.986 934 HG21 THR 119 HG21 THR 119 -13.167 11.550 -6.381 935 HG22 THR 119 HG22 THR 119 -14.788 12.188 -6.088 936 HG23 THR 119 HG23 THR 119 -14.284 10.669 -5.340 937 H GLU 120 H GLU 120 -10.745 13.664 -4.543 938 HA GLU 120 HA GLU 120 -9.584 12.765 -6.896 939 HB2 GLU 120 HB2 GLU 120 -9.756 15.130 -6.125 940 HB3 GLU 120 HB3 GLU 120 -8.552 14.809 -4.881 941 HG2 GLU 120 HG2 GLU 120 -7.561 15.998 -6.749 942 HG3 GLU 120 HG3 GLU 120 -6.865 14.389 -6.601 943 H THR 121 H THR 121 -8.150 12.862 -3.606 944 HA THR 121 HA THR 121 -5.612 11.875 -4.327 945 HB THR 121 HB THR 121 -5.286 11.536 -1.857 946 HG1 THR 121 HG1 THR 121 -7.078 11.141 -0.805 947 HG21 THR 121 HG21 THR 121 -5.574 13.907 -1.210 948 HG22 THR 121 HG22 THR 121 -6.593 14.169 -2.626 949 HG23 THR 121 HG23 THR 121 -4.884 13.766 -2.827 950 H LEU 122 H LEU 122 -8.462 10.220 -2.941 951 HA LEU 122 HA LEU 122 -7.293 7.712 -2.563 952 HB2 LEU 122 HB2 LEU 122 -9.458 8.323 -1.550 953 HB3 LEU 122 HB3 LEU 122 -10.213 8.351 -3.139 954 HG LEU 122 HG LEU 122 -9.823 5.918 -3.387 955 HD11 LEU 122 HD11 LEU 122 -9.027 4.571 -1.473 956 HD12 LEU 122 HD12 LEU 122 -8.590 6.055 -0.626 957 HD13 LEU 122 HD13 LEU 122 -7.787 5.628 -2.139 958 HD21 LEU 122 HD21 LEU 122 -11.939 6.664 -2.382 959 HD22 LEU 122 HD22 LEU 122 -11.222 6.553 -0.773 960 HD23 LEU 122 HD23 LEU 122 -11.431 5.096 -1.751 961 H ASN 123 H ASN 123 -9.278 8.904 -5.334 962 HA ASN 123 HA ASN 123 -9.351 6.469 -6.753 963 HB2 ASN 123 HB2 ASN 123 -9.610 9.323 -7.814 964 HB3 ASN 123 HB3 ASN 123 -9.991 7.879 -8.753 965 HD21 ASN 123 HD21 ASN 123 -11.733 10.077 -8.050 966 HD22 ASN 123 HD22 ASN 123 -13.043 9.410 -7.140 967 H SER 124 H SER 124 -7.165 9.253 -6.945 968 HA SER 124 HA SER 124 -5.645 8.352 -9.160 969 HB2 SER 124 HB2 SER 124 -5.713 10.720 -8.386 970 HB3 SER 124 HB3 SER 124 -4.756 10.275 -6.970 971 HG SER 124 HG SER 124 -3.390 9.328 -8.960 972 H PHE 125 H PHE 125 -5.222 7.933 -5.620 973 HA PHE 125 HA PHE 125 -2.654 6.727 -5.736 974 HB2 PHE 125 HB2 PHE 125 -3.556 7.707 -3.640 975 HB3 PHE 125 HB3 PHE 125 -4.756 6.422 -3.543 976 HD1 PHE 125 HD2 PHE 125 -1.093 7.132 -3.432 977 HD2 PHE 125 HD1 PHE 125 -4.156 4.266 -2.610 978 HE1 PHE 125 HE2 PHE 125 0.538 5.717 -2.253 979 HE2 PHE 125 HE1 PHE 125 -2.516 2.850 -1.441 980 HZ PHE 125 HZ PHE 125 -0.167 3.576 -1.260 981 H ILE 126 H ILE 126 -5.939 5.349 -5.637 982 HA ILE 126 HA ILE 126 -5.372 2.610 -5.618 983 HB ILE 126 HB ILE 126 -7.653 4.007 -7.129 984 HG12 ILE 126 HG12 ILE 126 -7.808 2.737 -4.350 985 HG13 ILE 126 HG13 ILE 126 -7.563 4.459 -4.610 986 HG21 ILE 126 HG21 ILE 126 -7.403 1.095 -6.270 987 HG22 ILE 126 HG22 ILE 126 -7.361 1.706 -7.925 988 HG23 ILE 126 HG23 ILE 126 -8.844 1.826 -6.980 989 HD11 ILE 126 HD11 ILE 126 -9.967 2.883 -5.533 990 HD12 ILE 126 HD12 ILE 126 -9.714 4.619 -5.736 991 HD13 ILE 126 HD13 ILE 126 -9.890 3.938 -4.120 992 H SER 127 H SER 127 -5.691 4.919 -8.308 993 HA SER 127 HA SER 127 -5.380 3.144 -10.446 994 HB2 SER 127 HB2 SER 127 -6.303 5.457 -10.609 995 HB3 SER 127 HB3 SER 127 -4.687 6.116 -10.358 996 HG SER 127 HG SER 127 -4.207 5.667 -12.371 997 H VAL 128 H VAL 128 -2.941 5.094 -8.672 998 HA VAL 128 HA VAL 128 -0.673 4.431 -10.202 999 HB VAL 128 HB VAL 128 -0.851 5.083 -7.210 1000 HG11 VAL 128 HG11 VAL 128 1.263 3.947 -7.669 1001 HG12 VAL 128 HG12 VAL 128 1.558 5.654 -7.349 1002 HG13 VAL 128 HG13 VAL 128 1.603 5.049 -9.007 1003 HG21 VAL 128 HG21 VAL 128 -0.178 7.367 -7.846 1004 HG22 VAL 128 HG22 VAL 128 -1.685 6.912 -8.640 1005 HG23 VAL 128 HG23 VAL 128 -0.175 6.908 -9.551 1006 H LEU 129 H LEU 129 -1.930 3.015 -7.187 1007 HA LEU 129 HA LEU 129 -0.181 0.888 -6.882 1008 HB2 LEU 129 HB2 LEU 129 -1.854 1.928 -5.264 1009 HB3 LEU 129 HB3 LEU 129 -3.103 0.955 -6.013 1010 HG LEU 129 HG LEU 129 -0.655 -0.332 -4.723 1011 HD11 LEU 129 HD11 LEU 129 -1.967 -0.581 -2.652 1012 HD12 LEU 129 HD12 LEU 129 -3.245 0.430 -3.331 1013 HD13 LEU 129 HD13 LEU 129 -1.646 1.111 -3.025 1014 HD21 LEU 129 HD21 LEU 129 -2.169 -2.260 -4.441 1015 HD22 LEU 129 HD22 LEU 129 -2.002 -1.804 -6.133 1016 HD23 LEU 129 HD23 LEU 129 -3.460 -1.362 -5.245 1017 H GLU 130 H GLU 130 -3.132 1.110 -8.816 1018 HA GLU 130 HA GLU 130 -3.400 -1.597 -9.620 1019 HB2 GLU 130 HB2 GLU 130 -4.278 1.033 -10.870 1020 HB3 GLU 130 HB3 GLU 130 -4.644 -0.510 -11.620 1021 HG2 GLU 130 HG2 GLU 130 -5.460 -0.069 -8.762 1022 HG3 GLU 130 HG3 GLU 130 -6.379 0.713 -10.036 1023 H THR 131 H THR 131 -1.584 1.150 -10.934 1024 HA THR 131 HA THR 131 -0.567 -0.142 -13.250 1025 HB THR 131 HB THR 131 0.498 2.295 -11.726 1026 HG1 THR 131 HG1 THR 131 -1.772 2.027 -12.945 1027 HG21 THR 131 HG21 THR 131 2.210 1.462 -13.296 1028 HG22 THR 131 HG22 THR 131 1.505 2.965 -13.892 1029 HG23 THR 131 HG23 THR 131 1.023 1.422 -14.600 1030 H VAL 132 H VAL 132 0.555 0.052 -9.894 1031 HA VAL 132 HA VAL 132 3.224 -0.894 -10.327 1032 HB VAL 132 HB VAL 132 1.636 -1.055 -7.712 1033 HG11 VAL 132 HG11 VAL 132 4.641 -1.061 -8.232 1034 HG12 VAL 132 HG12 VAL 132 3.671 -2.429 -7.677 1035 HG13 VAL 132 HG13 VAL 132 3.882 -1.019 -6.641 1036 HG21 VAL 132 HG21 VAL 132 3.388 1.205 -8.745 1037 HG22 VAL 132 HG22 VAL 132 2.664 1.117 -7.136 1038 HG23 VAL 132 HG23 VAL 132 1.636 1.245 -8.558 1039 H ILE 133 H ILE 133 0.271 -2.490 -9.090 1040 HA ILE 133 HA ILE 133 1.363 -5.138 -9.052 1041 HB ILE 133 HB ILE 133 -1.542 -4.139 -9.018 1042 HG12 ILE 133 HG12 ILE 133 0.278 -5.228 -6.811 1043 HG13 ILE 133 HG13 ILE 133 -0.300 -3.574 -6.977 1044 HG21 ILE 133 HG21 ILE 133 -1.536 -6.392 -10.006 1045 HG22 ILE 133 HG22 ILE 133 -2.271 -6.406 -8.406 1046 HG23 ILE 133 HG23 ILE 133 -0.628 -7.007 -8.624 1047 HD11 ILE 133 HD11 ILE 133 -2.603 -4.386 -6.596 1048 HD12 ILE 133 HD12 ILE 133 -1.514 -4.668 -5.239 1049 HD13 ILE 133 HD13 ILE 133 -1.952 -6.002 -6.308 1050 H GLY 134 H GLY 134 -0.466 -3.198 -11.390 1051 HA2 GLY 134 HA2 GLY 134 -1.176 -5.139 -13.256 1052 HA3 GLY 134 HA3 GLY 134 -0.972 -3.427 -13.583 1053 H THR 135 H THR 135 1.801 -3.142 -13.109 1054 HA THR 135 HA THR 135 2.854 -4.049 -15.598 1055 HB THR 135 HB THR 135 3.608 -1.928 -14.559 1056 HG1 THR 135 HG1 THR 135 5.218 -2.227 -15.843 1057 HG21 THR 135 HG21 THR 135 5.129 -3.679 -12.600 1058 HG22 THR 135 HG22 THR 135 3.794 -2.595 -12.205 1059 HG23 THR 135 HG23 THR 135 5.326 -1.932 -12.778 1060 H ILE 136 H ILE 136 2.711 -5.505 -12.486 1061 HA ILE 136 HA ILE 136 4.855 -7.429 -12.996 1062 HB ILE 136 HB ILE 136 2.806 -7.726 -10.749 1063 HG12 ILE 136 HG12 ILE 136 3.698 -5.412 -10.577 1064 HG13 ILE 136 HG13 ILE 136 4.181 -6.412 -9.223 1065 HG21 ILE 136 HG21 ILE 136 4.307 -9.623 -11.144 1066 HG22 ILE 136 HG22 ILE 136 4.663 -8.858 -9.600 1067 HG23 ILE 136 HG23 ILE 136 5.721 -8.574 -10.980 1068 HD11 ILE 136 HD11 ILE 136 5.927 -5.612 -11.549 1069 HD12 ILE 136 HD12 ILE 136 6.419 -6.623 -10.186 1070 HD13 ILE 136 HD13 ILE 136 5.955 -4.945 -9.917 1071 H GLU 137 H GLU 137 1.338 -7.150 -13.138 1072 HA GLU 137 HA GLU 137 0.628 -9.874 -13.051 1073 HB2 GLU 137 HB2 GLU 137 -0.810 -7.338 -13.867 1074 HB3 GLU 137 HB3 GLU 137 -1.579 -8.895 -14.138 1075 HG2 GLU 137 HG2 GLU 137 -0.612 -7.902 -11.445 1076 HG3 GLU 137 HG3 GLU 137 -2.275 -7.797 -12.016 1077 H GLU 138 H GLU 138 2.050 -10.870 -14.501 1078 HA GLU 138 HA GLU 138 0.913 -11.720 -16.904 1079 HB2 GLU 138 HB2 GLU 138 1.803 -9.389 -17.607 1080 HB3 GLU 138 HB3 GLU 138 3.425 -10.019 -17.367 1081 HG2 GLU 138 HG2 GLU 138 3.093 -11.658 -19.148 1082 HG3 GLU 138 HG3 GLU 138 1.409 -11.165 -19.333 1083 H ILE 139 H ILE 139 2.004 -12.758 -14.463 1084 HA ILE 139 HA ILE 139 4.648 -13.812 -14.862 1085 HB ILE 139 HB ILE 139 2.555 -14.677 -12.800 1086 HG12 ILE 139 HG12 ILE 139 4.208 -13.398 -11.203 1087 HG13 ILE 139 HG13 ILE 139 4.793 -12.610 -12.661 1088 HG21 ILE 139 HG21 ILE 139 4.474 -15.709 -11.587 1089 HG22 ILE 139 HG22 ILE 139 5.521 -15.349 -12.961 1090 HG23 ILE 139 HG23 ILE 139 4.168 -16.466 -13.151 1091 HD11 ILE 139 HD11 ILE 139 1.980 -12.496 -11.563 1092 HD12 ILE 139 HD12 ILE 139 2.522 -11.731 -13.060 1093 HD13 ILE 139 HD13 ILE 139 3.193 -11.214 -11.513 1094 H LYS 140 H LYS 140 4.661 -14.919 -16.790 1095 HA LYS 140 HA LYS 140 2.931 -17.306 -17.104 1096 HB2 LYS 140 HB2 LYS 140 3.697 -15.301 -19.278 1097 HB3 LYS 140 HB3 LYS 140 2.828 -16.809 -19.547 1098 HG2 LYS 140 HG2 LYS 140 0.988 -15.918 -18.045 1099 HG3 LYS 140 HG3 LYS 140 1.855 -14.381 -18.019 1100 HD2 LYS 140 HD2 LYS 140 0.057 -14.303 -19.684 1101 HD3 LYS 140 HD3 LYS 140 1.626 -14.212 -20.490 1102 HE2 LYS 140 HE2 LYS 140 1.479 -16.616 -21.043 1103 HE3 LYS 140 HE3 LYS 140 -0.083 -16.711 -20.226 1104 HZ1 LYS 140 HZ1 LYS 140 -1.018 -15.217 -21.838 1105 HZ2 LYS 140 HZ2 LYS 140 -0.276 -16.500 -22.643 1106 HZ3 LYS 140 HZ3 LYS 140 0.481 -14.993 -22.590 1107 H SER 141 H SER 141 4.928 -18.159 -16.056 1108 HA SER 141 HA SER 141 6.956 -18.968 -18.062 1109 HB2 SER 141 HB2 SER 141 7.191 -19.002 -15.008 1110 HB3 SER 141 HB3 SER 141 8.464 -19.439 -16.154 1111 HG SER 141 HG SER 141 8.477 -17.307 -16.879 Start of MODEL 11 1 H1 MET 1 H1 MET 1 -32.523 59.098 4.440 2 H2 MET 1 H2 MET 1 -33.712 59.981 5.255 3 H3 MET 1 H3 MET 1 -32.818 58.806 6.075 4 HA MET 1 HA MET 1 -31.725 61.285 4.898 5 HB2 MET 1 HB2 MET 1 -33.167 61.758 6.851 6 HB3 MET 1 HB3 MET 1 -32.300 60.561 7.806 7 HG2 MET 1 HG2 MET 1 -31.626 62.851 8.389 8 HG3 MET 1 HG3 MET 1 -30.274 61.927 7.733 9 HE1 MET 1 HE1 MET 1 -29.531 65.580 6.448 10 HE2 MET 1 HE2 MET 1 -28.871 64.193 7.317 11 HE3 MET 1 HE3 MET 1 -30.207 65.121 8.005 12 H GLY 2 H GLY 2 -31.109 58.670 7.276 13 HA2 GLY 2 HA2 GLY 2 -28.207 58.789 6.763 14 HA3 GLY 2 HA3 GLY 2 -29.008 57.943 8.081 15 H HIS 3 H HIS 3 -28.047 55.974 7.747 16 HA HIS 3 HA HIS 3 -27.810 53.847 7.043 17 HB2 HIS 3 HB2 HIS 3 -30.110 54.448 5.130 18 HB3 HIS 3 HB3 HIS 3 -29.509 52.840 5.524 19 HD1 HIS 3 HD1 HIS 3 -32.287 54.778 6.262 20 HD2 HIS 3 HD2 HIS 3 -29.633 52.682 8.671 21 HE1 HIS 3 HE1 HIS 3 -33.528 54.322 8.395 22 HE2 HIS 3 HE2 HIS 3 -31.840 53.202 9.879 23 H HIS 4 H HIS 4 -26.587 56.255 5.570 24 HA HIS 4 HA HIS 4 -26.113 55.350 2.859 25 HB2 HIS 4 HB2 HIS 4 -26.319 57.773 3.391 26 HB3 HIS 4 HB3 HIS 4 -24.888 57.682 4.408 27 HD1 HIS 4 HD1 HIS 4 -25.976 58.004 0.866 28 HD2 HIS 4 HD2 HIS 4 -22.420 57.461 2.956 29 HE1 HIS 4 HE1 HIS 4 -24.141 58.521 -0.770 30 HE2 HIS 4 HE2 HIS 4 -22.013 58.061 0.482 31 H HIS 5 H HIS 5 -24.949 53.524 2.778 32 HA HIS 5 HA HIS 5 -22.123 53.642 3.324 33 HB2 HIS 5 HB2 HIS 5 -22.014 51.574 4.677 34 HB3 HIS 5 HB3 HIS 5 -22.937 52.814 5.511 35 HD1 HIS 5 HD1 HIS 5 -25.494 52.398 5.814 36 HD2 HIS 5 HD2 HIS 5 -23.451 49.228 4.062 37 HE1 HIS 5 HE1 HIS 5 -27.077 50.452 5.856 38 HE2 HIS 5 HE2 HIS 5 -25.846 48.583 4.738 39 H HIS 6 H HIS 6 -20.972 52.113 2.120 40 HA HIS 6 HA HIS 6 -22.346 50.167 0.447 41 HB2 HIS 6 HB2 HIS 6 -22.594 52.266 -0.861 42 HB3 HIS 6 HB3 HIS 6 -20.862 52.549 -0.781 43 HD1 HIS 6 HD1 HIS 6 -19.485 51.583 -2.654 44 HD2 HIS 6 HD2 HIS 6 -23.308 49.952 -2.527 45 HE1 HIS 6 HE1 HIS 6 -19.689 50.167 -4.712 46 HE2 HIS 6 HE2 HIS 6 -22.085 49.428 -4.733 47 H HIS 7 H HIS 7 -20.996 48.502 -0.052 48 HA HIS 7 HA HIS 7 -18.102 48.831 0.367 49 HB2 HIS 7 HB2 HIS 7 -17.996 46.643 1.545 50 HB3 HIS 7 HB3 HIS 7 -18.959 47.816 2.432 51 HD1 HIS 7 HD1 HIS 7 -19.054 44.401 1.239 52 HD2 HIS 7 HD2 HIS 7 -21.877 47.335 2.074 53 HE1 HIS 7 HE1 HIS 7 -21.242 43.193 1.463 54 HE2 HIS 7 HE2 HIS 7 -22.951 45.005 1.792 55 H HIS 8 H HIS 8 -17.530 48.742 -1.726 56 HA HIS 8 HA HIS 8 -18.485 46.747 -3.576 57 HB2 HIS 8 HB2 HIS 8 -17.663 48.943 -4.372 58 HB3 HIS 8 HB3 HIS 8 -16.055 48.593 -3.743 59 HD1 HIS 8 HD1 HIS 8 -14.688 46.698 -5.015 60 HD2 HIS 8 HD2 HIS 8 -18.190 47.900 -6.922 61 HE1 HIS 8 HE1 HIS 8 -14.521 45.818 -7.357 62 HE2 HIS 8 HE2 HIS 8 -16.646 46.531 -8.484 63 H SER 9 H SER 9 -18.172 44.804 -2.463 64 HA SER 9 HA SER 9 -15.405 43.823 -2.159 65 HB2 SER 9 HB2 SER 9 -17.579 43.552 -0.023 66 HB3 SER 9 HB3 SER 9 -15.937 42.905 0.070 67 HG SER 9 HG SER 9 -15.481 45.364 -0.356 68 H HIS 10 H HIS 10 -15.166 41.847 -2.949 69 HA HIS 10 HA HIS 10 -17.204 39.798 -2.737 70 HB2 HIS 10 HB2 HIS 10 -16.242 40.818 -5.443 71 HB3 HIS 10 HB3 HIS 10 -16.709 39.133 -5.251 72 HD1 HIS 10 HD1 HIS 10 -18.097 42.263 -6.239 73 HD2 HIS 10 HD2 HIS 10 -19.520 39.002 -4.087 74 HE1 HIS 10 HE1 HIS 10 -20.599 42.426 -6.336 75 HE2 HIS 10 HE2 HIS 10 -21.415 40.342 -5.203 76 H MET 11 H MET 11 -15.722 38.975 -1.236 77 HA MET 11 HA MET 11 -12.996 38.364 -1.868 78 HB2 MET 11 HB2 MET 11 -14.831 37.435 0.381 79 HB3 MET 11 HB3 MET 11 -13.143 36.947 0.256 80 HG2 MET 11 HG2 MET 11 -13.377 38.781 1.834 81 HG3 MET 11 HG3 MET 11 -12.436 39.292 0.434 82 HE1 MET 11 HE1 MET 11 -14.326 42.585 1.506 83 HE2 MET 11 HE2 MET 11 -12.750 41.868 1.161 84 HE3 MET 11 HE3 MET 11 -13.678 41.339 2.567 85 H GLN 12 H GLN 12 -12.975 37.200 -3.769 86 HA GLN 12 HA GLN 12 -13.959 34.403 -3.666 87 HB2 GLN 12 HB2 GLN 12 -15.304 35.842 -5.258 88 HB3 GLN 12 HB3 GLN 12 -13.825 36.181 -6.150 89 HG2 GLN 12 HG2 GLN 12 -13.596 33.737 -6.630 90 HG3 GLN 12 HG3 GLN 12 -15.134 33.460 -5.814 91 HE21 GLN 12 HE21 GLN 12 -13.605 34.780 -8.687 92 HE22 GLN 12 HE22 GLN 12 -15.052 34.928 -9.620 93 H GLU 13 H GLU 13 -12.156 33.261 -3.317 94 HA GLU 13 HA GLU 13 -10.046 33.118 -5.224 95 HB2 GLU 13 HB2 GLU 13 -8.166 33.636 -3.579 96 HB3 GLU 13 HB3 GLU 13 -9.085 35.023 -4.147 97 HG2 GLU 13 HG2 GLU 13 -10.345 35.072 -2.023 98 HG3 GLU 13 HG3 GLU 13 -9.421 33.685 -1.444 99 H LEU 14 H LEU 14 -10.636 31.030 -5.377 100 HA LEU 14 HA LEU 14 -10.803 29.266 -3.038 101 HB2 LEU 14 HB2 LEU 14 -11.472 28.862 -5.990 102 HB3 LEU 14 HB3 LEU 14 -11.620 27.604 -4.778 103 HG LEU 14 HG LEU 14 -13.347 29.089 -3.586 104 HD11 LEU 14 HD11 LEU 14 -14.484 30.824 -4.907 105 HD12 LEU 14 HD12 LEU 14 -13.275 30.655 -6.183 106 HD13 LEU 14 HD13 LEU 14 -12.804 31.255 -4.592 107 HD21 LEU 14 HD21 LEU 14 -15.173 28.443 -5.099 108 HD22 LEU 14 HD22 LEU 14 -13.994 27.144 -4.929 109 HD23 LEU 14 HD23 LEU 14 -14.006 28.137 -6.389 110 HA PRO 15 HA PRO 15 -6.786 27.334 -3.714 111 HB2 PRO 15 HB2 PRO 15 -7.240 24.647 -3.280 112 HB3 PRO 15 HB3 PRO 15 -7.240 25.839 -1.962 113 HG2 PRO 15 HG2 PRO 15 -9.584 24.694 -3.460 114 HG3 PRO 15 HG3 PRO 15 -9.364 24.886 -1.703 115 HD2 PRO 15 HD2 PRO 15 -10.817 26.664 -3.103 116 HD3 PRO 15 HD3 PRO 15 -9.774 27.198 -1.766 117 H ASP 16 H ASP 16 -5.741 25.369 -4.925 118 HA ASP 16 HA ASP 16 -6.779 25.248 -7.694 119 HB2 ASP 16 HB2 ASP 16 -4.032 24.519 -6.549 120 HB3 ASP 16 HB3 ASP 16 -4.485 24.320 -8.239 121 H SER 17 H SER 17 -6.315 23.085 -8.809 122 HA SER 17 HA SER 17 -6.642 20.692 -7.156 123 HB2 SER 17 HB2 SER 17 -8.974 21.579 -7.528 124 HB3 SER 17 HB3 SER 17 -8.710 21.479 -9.266 125 HG SER 17 HG SER 17 -8.303 19.179 -7.701 126 H GLY 18 H GLY 18 -4.627 20.148 -7.930 127 HA2 GLY 18 HA2 GLY 18 -4.032 20.082 -10.778 128 HA3 GLY 18 HA3 GLY 18 -2.943 19.706 -9.453 129 H ALA 19 H ALA 19 -2.590 17.653 -8.944 130 HA ALA 19 HA ALA 19 -4.392 15.474 -9.424 131 HB1 ALA 19 HB1 ALA 19 -3.503 15.765 -11.722 132 HB2 ALA 19 HB2 ALA 19 -2.941 14.245 -11.026 133 HB3 ALA 19 HB3 ALA 19 -1.853 15.633 -11.108 134 H LEU 20 H LEU 20 -3.174 13.335 -8.878 135 HA LEU 20 HA LEU 20 -1.947 13.612 -6.321 136 HB2 LEU 20 HB2 LEU 20 -3.280 11.634 -6.751 137 HB3 LEU 20 HB3 LEU 20 -2.293 11.199 -8.137 138 HG LEU 20 HG LEU 20 -0.343 10.791 -6.540 139 HD11 LEU 20 HD11 LEU 20 -2.446 11.072 -4.393 140 HD12 LEU 20 HD12 LEU 20 -1.095 12.170 -4.678 141 HD13 LEU 20 HD13 LEU 20 -0.788 10.513 -4.165 142 HD21 LEU 20 HD21 LEU 20 -1.120 8.616 -5.747 143 HD22 LEU 20 HD22 LEU 20 -1.677 8.919 -7.393 144 HD23 LEU 20 HD23 LEU 20 -2.797 9.091 -6.040 145 H MET 21 H MET 21 -0.000 14.656 -6.370 146 HA MET 21 HA MET 21 2.280 13.363 -7.751 147 HB2 MET 21 HB2 MET 21 2.265 15.789 -5.887 148 HB3 MET 21 HB3 MET 21 3.625 15.219 -6.843 149 HG2 MET 21 HG2 MET 21 2.633 15.955 -8.871 150 HG3 MET 21 HG3 MET 21 1.054 16.164 -8.112 151 HE1 MET 21 HE1 MET 21 4.759 17.597 -8.314 152 HE2 MET 21 HE2 MET 21 4.556 17.320 -6.581 153 HE3 MET 21 HE3 MET 21 4.639 18.966 -7.211 154 H LEU 22 H LEU 22 3.545 11.935 -6.617 155 HA LEU 22 HA LEU 22 2.920 11.451 -3.746 156 HB2 LEU 22 HB2 LEU 22 4.154 9.647 -5.868 157 HB3 LEU 22 HB3 LEU 22 4.133 9.228 -4.163 158 HG LEU 22 HG LEU 22 1.604 9.728 -5.785 159 HD11 LEU 22 HD11 LEU 22 2.863 7.050 -5.106 160 HD12 LEU 22 HD12 LEU 22 2.820 7.795 -6.707 161 HD13 LEU 22 HD13 LEU 22 1.318 7.314 -5.924 162 HD21 LEU 22 HD21 LEU 22 0.472 8.597 -3.930 163 HD22 LEU 22 HD22 LEU 22 1.324 10.033 -3.369 164 HD23 LEU 22 HD23 LEU 22 2.006 8.430 -3.068 165 H VAL 23 H VAL 23 4.246 12.695 -2.593 166 HA VAL 23 HA VAL 23 7.051 13.101 -3.384 167 HB VAL 23 HB VAL 23 7.081 14.860 -1.590 168 HG11 VAL 23 HG11 VAL 23 5.618 16.492 -2.756 169 HG12 VAL 23 HG12 VAL 23 4.823 15.168 -3.615 170 HG13 VAL 23 HG13 VAL 23 6.533 15.503 -3.897 171 HG21 VAL 23 HG21 VAL 23 5.376 13.923 -0.076 172 HG22 VAL 23 HG22 VAL 23 4.119 14.238 -1.275 173 HG23 VAL 23 HG23 VAL 23 4.979 15.585 -0.521 174 HA PRO 24 HA PRO 24 8.453 9.942 -0.584 175 HB2 PRO 24 HB2 PRO 24 11.040 10.810 -0.077 176 HB3 PRO 24 HB3 PRO 24 10.536 10.056 -1.604 177 HG2 PRO 24 HG2 PRO 24 10.865 12.973 -0.967 178 HG3 PRO 24 HG3 PRO 24 11.374 12.071 -2.414 179 HD2 PRO 24 HD2 PRO 24 9.127 13.575 -2.412 180 HD3 PRO 24 HD3 PRO 24 9.228 12.054 -3.329 181 H ASN 25 H ASN 25 7.313 10.031 1.278 182 HA ASN 25 HA ASN 25 7.740 11.929 3.402 183 HB2 ASN 25 HB2 ASN 25 5.568 10.741 3.039 184 HB3 ASN 25 HB3 ASN 25 6.344 9.213 3.423 185 HD21 ASN 25 HD21 ASN 25 5.339 12.320 4.737 186 HD22 ASN 25 HD22 ASN 25 5.289 11.809 6.387 187 H ARG 26 H ARG 26 8.605 11.282 5.553 188 HA ARG 26 HA ARG 26 11.119 10.022 5.511 189 HB2 ARG 26 HB2 ARG 26 9.320 10.639 7.869 190 HB3 ARG 26 HB3 ARG 26 11.011 10.157 8.001 191 HG2 ARG 26 HG2 ARG 26 11.712 12.186 6.815 192 HG3 ARG 26 HG3 ARG 26 10.025 12.658 6.587 193 HD2 ARG 26 HD2 ARG 26 9.766 12.797 9.042 194 HD3 ARG 26 HD3 ARG 26 11.473 12.397 9.243 195 HE ARG 26 HE ARG 26 11.006 14.672 7.544 196 HH11 ARG 26 HH11 ARG 26 11.450 13.685 10.898 197 HH12 ARG 26 HH12 ARG 26 11.974 15.262 11.409 198 HH21 ARG 26 HH21 ARG 26 11.685 16.718 8.230 199 HH22 ARG 26 HH22 ARG 26 12.104 16.972 9.895 200 H GLN 27 H GLN 27 11.820 8.078 6.615 201 HA GLN 27 HA GLN 27 10.269 5.803 5.963 202 HB2 GLN 27 HB2 GLN 27 12.809 6.049 7.623 203 HB3 GLN 27 HB3 GLN 27 12.083 4.508 7.171 204 HG2 GLN 27 HG2 GLN 27 12.447 4.981 4.802 205 HG3 GLN 27 HG3 GLN 27 13.082 6.582 5.187 206 HE21 GLN 27 HE21 GLN 27 14.388 4.349 3.770 207 HE22 GLN 27 HE22 GLN 27 15.832 4.010 4.657 208 H LEU 28 H LEU 28 8.340 5.631 7.015 209 HA LEU 28 HA LEU 28 7.987 6.067 9.824 210 HB2 LEU 28 HB2 LEU 28 6.150 4.584 7.906 211 HB3 LEU 28 HB3 LEU 28 5.717 5.165 9.507 212 HG LEU 28 HG LEU 28 6.297 6.838 7.032 213 HD11 LEU 28 HD11 LEU 28 3.807 6.591 8.746 214 HD12 LEU 28 HD12 LEU 28 4.049 5.853 7.161 215 HD13 LEU 28 HD13 LEU 28 4.004 7.606 7.313 216 HD21 LEU 28 HD21 LEU 28 7.319 7.962 8.924 217 HD22 LEU 28 HD22 LEU 28 5.834 7.799 9.863 218 HD23 LEU 28 HD23 LEU 28 5.864 8.819 8.422 219 H THR 29 H THR 29 8.165 4.671 11.472 220 HA THR 29 HA THR 29 9.274 2.031 11.120 221 HB THR 29 HB THR 29 9.056 1.902 13.624 222 HG1 THR 29 HG1 THR 29 8.355 3.908 14.651 223 HG21 THR 29 HG21 THR 29 10.638 3.704 14.183 224 HG22 THR 29 HG22 THR 29 10.286 4.508 12.652 225 HG23 THR 29 HG23 THR 29 11.088 2.933 12.664 226 H ALA 30 H ALA 30 8.232 0.096 12.036 227 HA ALA 30 HA ALA 30 5.599 -0.410 11.225 228 HB1 ALA 30 HB1 ALA 30 7.289 -2.170 11.509 229 HB2 ALA 30 HB2 ALA 30 5.827 -2.549 12.421 230 HB3 ALA 30 HB3 ALA 30 7.259 -1.942 13.259 231 H ASP 31 H ASP 31 6.879 0.675 14.342 232 HA ASP 31 HA ASP 31 4.471 0.413 15.847 233 HB2 ASP 31 HB2 ASP 31 7.059 1.933 16.274 234 HB3 ASP 31 HB3 ASP 31 5.698 2.261 17.339 235 H TYR 32 H TYR 32 5.886 3.111 13.974 236 HA TYR 32 HA TYR 32 3.880 5.007 14.716 237 HB2 TYR 32 HB2 TYR 32 6.180 5.652 13.871 238 HB3 TYR 32 HB3 TYR 32 5.696 5.127 12.261 239 HD1 TYR 32 HD2 TYR 32 5.201 7.675 14.884 240 HD2 TYR 32 HD1 TYR 32 4.117 6.485 10.928 241 HE1 TYR 32 HE2 TYR 32 4.198 9.879 14.494 242 HE2 TYR 32 HE1 TYR 32 3.112 8.689 10.540 243 HH TYR 32 HH TYR 32 3.587 11.337 12.602 244 H PHE 33 H PHE 33 4.355 2.873 11.903 245 HA PHE 33 HA PHE 33 2.186 3.596 10.337 246 HB2 PHE 33 HB2 PHE 33 3.908 1.938 9.616 247 HB3 PHE 33 HB3 PHE 33 3.247 0.756 10.737 248 HD1 PHE 33 HD1 PHE 33 0.916 -0.202 10.298 249 HD2 PHE 33 HD2 PHE 33 2.898 2.326 7.479 250 HE1 PHE 33 HE1 PHE 33 -0.661 -0.912 8.553 251 HE2 PHE 33 HE2 PHE 33 1.319 1.596 5.744 252 HZ PHE 33 HZ PHE 33 -0.468 -0.006 6.272 253 H GLU 34 H GLU 34 2.331 1.061 12.843 254 HA GLU 34 HA GLU 34 -0.320 0.216 12.800 255 HB2 GLU 34 HB2 GLU 34 1.567 -0.982 13.943 256 HB3 GLU 34 HB3 GLU 34 1.574 0.259 15.194 257 HG2 GLU 34 HG2 GLU 34 -0.816 -0.375 15.731 258 HG3 GLU 34 HG3 GLU 34 -0.655 -1.715 14.596 259 H LYS 35 H LYS 35 1.216 2.837 14.611 260 HA LYS 35 HA LYS 35 -0.899 3.684 16.241 261 HB2 LYS 35 HB2 LYS 35 1.386 4.509 16.526 262 HB3 LYS 35 HB3 LYS 35 1.362 5.255 14.934 263 HG2 LYS 35 HG2 LYS 35 -0.456 6.797 15.760 264 HG3 LYS 35 HG3 LYS 35 -0.231 6.125 17.376 265 HD2 LYS 35 HD2 LYS 35 1.837 7.625 15.723 266 HD3 LYS 35 HD3 LYS 35 0.989 8.238 17.143 267 HE2 LYS 35 HE2 LYS 35 2.971 5.936 17.101 268 HE3 LYS 35 HE3 LYS 35 3.276 7.561 17.705 269 HZ1 LYS 35 HZ1 LYS 35 1.634 7.217 19.420 270 HZ2 LYS 35 HZ2 LYS 35 2.796 5.993 19.493 271 HZ3 LYS 35 HZ3 LYS 35 1.272 5.680 18.830 272 H THR 36 H THR 36 0.040 4.823 12.985 273 HA THR 36 HA THR 36 -2.043 6.764 12.788 274 HB THR 36 HB THR 36 -0.321 5.619 10.538 275 HG1 THR 36 HG1 THR 36 1.162 6.388 11.910 276 HG21 THR 36 HG21 THR 36 -1.689 8.335 10.800 277 HG22 THR 36 HG22 THR 36 -2.199 7.026 9.729 278 HG23 THR 36 HG23 THR 36 -0.650 7.830 9.470 279 H TRP 37 H TRP 37 -1.624 3.480 11.627 280 HA TRP 37 HA TRP 37 -3.775 3.238 9.840 281 HB2 TRP 37 HB2 TRP 37 -1.795 1.703 9.916 282 HB3 TRP 37 HB3 TRP 37 -2.346 1.069 11.463 283 HD1 TRP 37 HD1 TRP 37 -4.277 -0.772 11.397 284 HE1 TRP 37 HE1 TRP 37 -5.407 -2.078 9.489 285 HE3 TRP 37 HE3 TRP 37 -2.590 1.944 7.415 286 HZ2 TRP 37 HZ2 TRP 37 -5.527 -2.000 6.673 287 HZ3 TRP 37 HZ3 TRP 37 -3.256 1.269 5.146 288 HH2 TRP 37 HH2 TRP 37 -4.700 -0.665 4.774 289 H LEU 38 H LEU 38 -3.424 2.273 13.275 290 HA LEU 38 HA LEU 38 -6.155 1.383 13.518 291 HB2 LEU 38 HB2 LEU 38 -4.022 1.868 15.629 292 HB3 LEU 38 HB3 LEU 38 -5.591 1.161 15.968 293 HG LEU 38 HG LEU 38 -3.408 -0.072 14.226 294 HD11 LEU 38 HD11 LEU 38 -2.911 -0.208 16.621 295 HD12 LEU 38 HD12 LEU 38 -3.260 -1.797 15.949 296 HD13 LEU 38 HD13 LEU 38 -4.479 -0.966 16.920 297 HD21 LEU 38 HD21 LEU 38 -6.152 -1.179 14.888 298 HD22 LEU 38 HD22 LEU 38 -4.853 -2.063 14.079 299 HD23 LEU 38 HD23 LEU 38 -5.577 -0.659 13.302 300 H SER 39 H SER 39 -4.534 4.433 13.888 301 HA SER 39 HA SER 39 -6.711 5.710 15.336 302 HB2 SER 39 HB2 SER 39 -4.312 6.397 15.645 303 HB3 SER 39 HB3 SER 39 -4.297 7.004 13.992 304 HG SER 39 HG SER 39 -6.017 7.909 16.084 305 H LEU 40 H LEU 40 -6.074 4.972 12.031 306 HA LEU 40 HA LEU 40 -8.004 7.008 11.057 307 HB2 LEU 40 HB2 LEU 40 -5.722 5.544 9.687 308 HB3 LEU 40 HB3 LEU 40 -7.013 6.265 8.743 309 HG LEU 40 HG LEU 40 -5.176 7.821 10.612 310 HD11 LEU 40 HD11 LEU 40 -3.970 6.932 8.645 311 HD12 LEU 40 HD12 LEU 40 -4.140 8.683 8.563 312 HD13 LEU 40 HD13 LEU 40 -5.178 7.650 7.574 313 HD21 LEU 40 HD21 LEU 40 -7.290 8.716 8.629 314 HD22 LEU 40 HD22 LEU 40 -6.186 9.792 9.494 315 HD23 LEU 40 HD23 LEU 40 -7.377 8.850 10.388 316 H LYS 41 H LYS 41 -9.394 6.246 9.235 317 HA LYS 41 HA LYS 41 -10.384 3.483 9.684 318 HB2 LYS 41 HB2 LYS 41 -11.867 5.982 8.761 319 HB3 LYS 41 HB3 LYS 41 -12.569 4.366 8.817 320 HG2 LYS 41 HG2 LYS 41 -12.172 4.324 11.293 321 HG3 LYS 41 HG3 LYS 41 -11.588 5.990 11.188 322 HD2 LYS 41 HD2 LYS 41 -13.944 5.953 11.907 323 HD3 LYS 41 HD3 LYS 41 -13.793 6.719 10.324 324 HE2 LYS 41 HE2 LYS 41 -14.502 4.575 9.256 325 HE3 LYS 41 HE3 LYS 41 -14.708 3.870 10.859 326 HZ1 LYS 41 HZ1 LYS 41 -16.468 5.379 11.327 327 HZ2 LYS 41 HZ2 LYS 41 -16.789 4.689 9.817 328 HZ3 LYS 41 HZ3 LYS 41 -16.195 6.269 9.920 329 H VAL 42 H VAL 42 -11.115 2.317 7.836 330 HA VAL 42 HA VAL 42 -9.289 2.366 5.662 331 HB VAL 42 HB VAL 42 -11.916 0.811 5.936 332 HG11 VAL 42 HG11 VAL 42 -9.554 0.258 4.095 333 HG12 VAL 42 HG12 VAL 42 -11.143 0.840 3.595 334 HG13 VAL 42 HG13 VAL 42 -10.977 -0.773 4.289 335 HG21 VAL 42 HG21 VAL 42 -10.367 0.354 7.799 336 HG22 VAL 42 HG22 VAL 42 -9.087 -0.048 6.652 337 HG23 VAL 42 HG23 VAL 42 -10.532 -1.060 6.754 338 H ALA 43 H ALA 43 -9.383 3.543 3.829 339 HA ALA 43 HA ALA 43 -11.705 5.249 3.278 340 HB1 ALA 43 HB1 ALA 43 -8.961 5.144 1.963 341 HB2 ALA 43 HB2 ALA 43 -9.441 6.228 3.270 342 HB3 ALA 43 HB3 ALA 43 -10.197 6.376 1.683 343 H HIS 44 H HIS 44 -9.717 2.825 1.649 344 HA HIS 44 HA HIS 44 -12.036 1.871 0.114 345 HB2 HIS 44 HB2 HIS 44 -10.794 3.405 -1.385 346 HB3 HIS 44 HB3 HIS 44 -9.288 2.558 -1.057 347 HD2 HIS 44 HD2 HIS 44 -8.810 0.362 -2.642 348 HE1 HIS 44 HE1 HIS 44 -12.480 0.504 -4.732 349 HE2 HIS 44 HE2 HIS 44 -10.121 -0.384 -4.741 350 H GLN 45 H GLN 45 -12.000 -0.360 -0.220 351 HA GLN 45 HA GLN 45 -9.537 -1.864 0.074 352 HB2 GLN 45 HB2 GLN 45 -10.403 -1.891 2.399 353 HB3 GLN 45 HB3 GLN 45 -11.946 -2.530 1.839 354 HG2 GLN 45 HG2 GLN 45 -10.910 -4.623 1.169 355 HG3 GLN 45 HG3 GLN 45 -9.298 -3.984 1.488 356 HE21 GLN 45 HE21 GLN 45 -12.286 -5.090 2.967 357 HE22 GLN 45 HE22 GLN 45 -11.632 -5.373 4.542 358 H GLN 46 H GLN 46 -9.459 -3.365 -1.412 359 HA GLN 46 HA GLN 46 -11.873 -4.260 -2.873 360 HB2 GLN 46 HB2 GLN 46 -10.570 -3.988 -5.002 361 HB3 GLN 46 HB3 GLN 46 -10.833 -2.448 -4.188 362 HG2 GLN 46 HG2 GLN 46 -8.520 -2.565 -3.272 363 HG3 GLN 46 HG3 GLN 46 -8.277 -4.078 -4.142 364 HE21 GLN 46 HE21 GLN 46 -6.523 -3.212 -5.308 365 HE22 GLN 46 HE22 GLN 46 -6.740 -2.059 -6.575 366 H VAL 47 H VAL 47 -11.715 -6.354 -3.724 367 HA VAL 47 HA VAL 47 -9.324 -7.964 -2.991 368 HB VAL 47 HB VAL 47 -12.182 -8.966 -3.474 369 HG11 VAL 47 HG11 VAL 47 -9.710 -10.478 -2.542 370 HG12 VAL 47 HG12 VAL 47 -10.503 -10.634 -4.112 371 HG13 VAL 47 HG13 VAL 47 -11.344 -11.142 -2.647 372 HG21 VAL 47 HG21 VAL 47 -12.274 -9.442 -1.056 373 HG22 VAL 47 HG22 VAL 47 -12.050 -7.718 -1.355 374 HG23 VAL 47 HG23 VAL 47 -10.683 -8.707 -0.836 375 H LEU 48 H LEU 48 -8.128 -8.569 -4.682 376 HA LEU 48 HA LEU 48 -9.251 -8.489 -7.405 377 HB2 LEU 48 HB2 LEU 48 -6.404 -7.929 -6.474 378 HB3 LEU 48 HB3 LEU 48 -6.905 -8.003 -8.157 379 HG LEU 48 HG LEU 48 -7.821 -5.937 -6.111 380 HD11 LEU 48 HD11 LEU 48 -6.582 -4.335 -7.502 381 HD12 LEU 48 HD12 LEU 48 -6.031 -5.655 -8.537 382 HD13 LEU 48 HD13 LEU 48 -5.524 -5.585 -6.849 383 HD21 LEU 48 HD21 LEU 48 -8.572 -6.167 -9.046 384 HD22 LEU 48 HD22 LEU 48 -8.980 -4.821 -7.976 385 HD23 LEU 48 HD23 LEU 48 -9.648 -6.422 -7.669 386 HA PRO 49 HA PRO 49 -8.461 -12.932 -7.366 387 HB2 PRO 49 HB2 PRO 49 -8.745 -13.364 -10.104 388 HB3 PRO 49 HB3 PRO 49 -10.103 -13.203 -8.972 389 HG2 PRO 49 HG2 PRO 49 -8.926 -11.144 -10.803 390 HG3 PRO 49 HG3 PRO 49 -10.632 -11.479 -10.436 391 HD2 PRO 49 HD2 PRO 49 -9.318 -9.398 -9.302 392 HD3 PRO 49 HD3 PRO 49 -10.573 -10.308 -8.424 393 H TRP 50 H TRP 50 -6.300 -13.103 -6.774 394 HA TRP 50 HA TRP 50 -4.185 -12.540 -8.713 395 HB2 TRP 50 HB2 TRP 50 -3.875 -11.861 -6.344 396 HB3 TRP 50 HB3 TRP 50 -3.980 -13.543 -5.834 397 HD1 TRP 50 HD1 TRP 50 -1.809 -15.153 -6.491 398 HE1 TRP 50 HE1 TRP 50 0.626 -14.566 -7.068 399 HE3 TRP 50 HE3 TRP 50 -2.357 -10.134 -7.367 400 HZ2 TRP 50 HZ2 TRP 50 2.125 -12.277 -7.763 401 HZ3 TRP 50 HZ3 TRP 50 -0.366 -8.821 -7.959 402 HH2 TRP 50 HH2 TRP 50 1.826 -9.867 -8.156 403 H ARG 51 H ARG 51 -4.083 -14.119 -10.264 404 HA ARG 51 HA ARG 51 -3.350 -16.837 -9.316 405 HB2 ARG 51 HB2 ARG 51 -5.362 -16.955 -10.732 406 HB3 ARG 51 HB3 ARG 51 -4.559 -16.044 -12.008 407 HG2 ARG 51 HG2 ARG 51 -2.947 -17.896 -12.322 408 HG3 ARG 51 HG3 ARG 51 -3.727 -18.799 -11.023 409 HD2 ARG 51 HD2 ARG 51 -5.150 -17.947 -13.564 410 HD3 ARG 51 HD3 ARG 51 -4.353 -19.508 -13.364 411 HE ARG 51 HE ARG 51 -6.166 -19.166 -11.244 412 HH11 ARG 51 HH11 ARG 51 -6.283 -19.632 -14.742 413 HH12 ARG 51 HH12 ARG 51 -7.829 -20.417 -14.696 414 HH21 ARG 51 HH21 ARG 51 -8.192 -20.252 -11.233 415 HH22 ARG 51 HH22 ARG 51 -8.898 -20.764 -12.737 416 H GLY 52 H GLY 52 -1.191 -16.838 -9.214 417 HA2 GLY 52 HA2 GLY 52 0.597 -16.825 -11.250 418 HA3 GLY 52 HA3 GLY 52 0.455 -15.113 -10.862 419 H GLU 53 H GLU 53 2.863 -16.318 -10.619 420 HA GLU 53 HA GLU 53 3.371 -17.030 -7.851 421 HB2 GLU 53 HB2 GLU 53 5.302 -16.501 -10.155 422 HB3 GLU 53 HB3 GLU 53 5.744 -17.165 -8.586 423 HG2 GLU 53 HG2 GLU 53 3.915 -18.487 -10.621 424 HG3 GLU 53 HG3 GLU 53 5.595 -18.917 -10.310 425 H PHE 54 H PHE 54 3.759 -15.595 -6.273 426 HA PHE 54 HA PHE 54 3.779 -12.772 -6.892 427 HB2 PHE 54 HB2 PHE 54 2.426 -13.671 -4.997 428 HB3 PHE 54 HB3 PHE 54 3.906 -14.142 -4.161 429 HD1 PHE 54 HD2 PHE 54 2.080 -11.201 -5.542 430 HD2 PHE 54 HD1 PHE 54 5.066 -12.555 -2.820 431 HE1 PHE 54 HE2 PHE 54 2.283 -8.925 -4.656 432 HE2 PHE 54 HE1 PHE 54 5.265 -10.280 -1.933 433 HZ PHE 54 HZ PHE 54 3.888 -8.468 -2.854 434 H HIS 55 H HIS 55 5.381 -11.324 -6.474 435 HA HIS 55 HA HIS 55 8.100 -12.300 -5.858 436 HB2 HIS 55 HB2 HIS 55 7.310 -10.362 -8.080 437 HB3 HIS 55 HB3 HIS 55 8.960 -10.774 -7.629 438 HD1 HIS 55 HD1 HIS 55 9.673 -13.317 -8.085 439 HD2 HIS 55 HD2 HIS 55 6.176 -12.058 -9.942 440 HE1 HIS 55 HE1 HIS 55 9.193 -15.027 -9.858 441 HE2 HIS 55 HE2 HIS 55 7.169 -14.164 -11.051 442 HA PRO 56 HA PRO 56 7.089 -8.805 -3.014 443 HB2 PRO 56 HB2 PRO 56 8.746 -9.583 -0.963 444 HB3 PRO 56 HB3 PRO 56 7.144 -10.289 -1.241 445 HG2 PRO 56 HG2 PRO 56 9.831 -11.382 -2.015 446 HG3 PRO 56 HG3 PRO 56 8.444 -12.218 -1.283 447 HD2 PRO 56 HD2 PRO 56 8.965 -12.361 -3.949 448 HD3 PRO 56 HD3 PRO 56 7.311 -12.409 -3.301 449 H ASP 57 H ASP 57 10.330 -9.949 -3.880 450 HA ASP 57 HA ASP 57 11.790 -7.596 -3.346 451 HB2 ASP 57 HB2 ASP 57 12.355 -9.617 -5.564 452 HB3 ASP 57 HB3 ASP 57 13.506 -8.465 -4.893 453 H THR 58 H THR 58 10.127 -8.692 -6.286 454 HA THR 58 HA THR 58 10.881 -6.504 -7.955 455 HB THR 58 HB THR 58 8.441 -8.300 -8.327 456 HG1 THR 58 HG1 THR 58 11.186 -8.796 -8.851 457 HG21 THR 58 HG21 THR 58 8.801 -7.891 -10.729 458 HG22 THR 58 HG22 THR 58 10.165 -6.834 -10.362 459 HG23 THR 58 HG23 THR 58 8.534 -6.370 -9.871 460 H LEU 59 H LEU 59 8.179 -7.178 -5.782 461 HA LEU 59 HA LEU 59 6.490 -5.033 -6.399 462 HB2 LEU 59 HB2 LEU 59 5.797 -6.927 -4.944 463 HB3 LEU 59 HB3 LEU 59 6.901 -6.364 -3.697 464 HG LEU 59 HG LEU 59 5.568 -4.238 -3.513 465 HD11 LEU 59 HD11 LEU 59 3.634 -5.596 -5.415 466 HD12 LEU 59 HD12 LEU 59 4.598 -4.153 -5.751 467 HD13 LEU 59 HD13 LEU 59 3.340 -4.102 -4.520 468 HD21 LEU 59 HD21 LEU 59 3.683 -5.190 -2.307 469 HD22 LEU 59 HD22 LEU 59 5.151 -6.105 -1.979 470 HD23 LEU 59 HD23 LEU 59 3.940 -6.754 -3.087 471 H GLN 60 H GLN 60 9.064 -5.292 -3.883 472 HA GLN 60 HA GLN 60 8.819 -2.666 -2.889 473 HB2 GLN 60 HB2 GLN 60 11.211 -4.551 -2.800 474 HB3 GLN 60 HB3 GLN 60 11.144 -3.009 -1.947 475 HG2 GLN 60 HG2 GLN 60 9.098 -3.863 -0.742 476 HG3 GLN 60 HG3 GLN 60 9.408 -5.440 -1.469 477 HE21 GLN 60 HE21 GLN 60 10.570 -3.074 0.834 478 HE22 GLN 60 HE22 GLN 60 11.676 -4.128 1.642 479 H MET 61 H MET 61 10.956 -3.985 -5.435 480 HA MET 61 HA MET 61 12.475 -1.671 -5.898 481 HB2 MET 61 HB2 MET 61 11.811 -4.011 -7.726 482 HB3 MET 61 HB3 MET 61 12.919 -2.722 -8.189 483 HG2 MET 61 HG2 MET 61 14.296 -3.280 -6.164 484 HG3 MET 61 HG3 MET 61 13.254 -4.683 -5.915 485 HE1 MET 61 HE1 MET 61 13.175 -6.801 -7.550 486 HE2 MET 61 HE2 MET 61 14.026 -6.866 -9.092 487 HE3 MET 61 HE3 MET 61 12.680 -5.749 -8.879 488 H ALA 62 H ALA 62 9.366 -2.703 -7.282 489 HA ALA 62 HA ALA 62 9.130 -0.536 -9.151 490 HB1 ALA 62 HB1 ALA 62 6.797 -1.303 -9.410 491 HB2 ALA 62 HB2 ALA 62 6.991 -2.382 -8.022 492 HB3 ALA 62 HB3 ALA 62 7.930 -2.655 -9.490 493 H LEU 63 H LEU 63 8.142 -1.098 -5.787 494 HA LEU 63 HA LEU 63 6.350 1.030 -5.437 495 HB2 LEU 63 HB2 LEU 63 8.146 -0.359 -3.415 496 HB3 LEU 63 HB3 LEU 63 6.924 0.824 -2.967 497 HG LEU 63 HG LEU 63 6.359 -1.836 -4.327 498 HD11 LEU 63 HD11 LEU 63 5.894 -0.995 -1.464 499 HD12 LEU 63 HD12 LEU 63 7.108 -2.146 -2.033 500 HD13 LEU 63 HD13 LEU 63 5.393 -2.524 -2.192 501 HD21 LEU 63 HD21 LEU 63 3.998 -1.375 -3.894 502 HD22 LEU 63 HD22 LEU 63 4.700 -0.160 -4.962 503 HD23 LEU 63 HD23 LEU 63 4.413 0.219 -3.261 504 H GLN 64 H GLN 64 9.872 0.878 -4.802 505 HA GLN 64 HA GLN 64 10.311 3.485 -3.944 506 HB2 GLN 64 HB2 GLN 64 12.010 1.314 -5.054 507 HB3 GLN 64 HB3 GLN 64 12.662 2.917 -5.357 508 HG2 GLN 64 HG2 GLN 64 13.571 1.932 -3.294 509 HG3 GLN 64 HG3 GLN 64 12.692 3.428 -2.990 510 HE21 GLN 64 HE21 GLN 64 12.378 2.918 -0.806 511 HE22 GLN 64 HE22 GLN 64 11.280 1.691 -0.291 512 H VAL 65 H VAL 65 9.962 2.304 -7.281 513 HA VAL 65 HA VAL 65 10.856 4.643 -8.630 514 HB VAL 65 HB VAL 65 8.933 2.454 -9.568 515 HG11 VAL 65 HG11 VAL 65 8.748 4.433 -11.021 516 HG12 VAL 65 HG12 VAL 65 9.531 3.105 -11.874 517 HG13 VAL 65 HG13 VAL 65 10.498 4.445 -11.255 518 HG21 VAL 65 HG21 VAL 65 11.108 1.553 -8.874 519 HG22 VAL 65 HG22 VAL 65 11.938 2.689 -9.941 520 HG23 VAL 65 HG23 VAL 65 10.909 1.428 -10.622 521 H VAL 66 H VAL 66 7.770 3.677 -7.245 522 HA VAL 66 HA VAL 66 6.455 6.153 -8.217 523 HB VAL 66 HB VAL 66 4.291 5.013 -7.618 524 HG11 VAL 66 HG11 VAL 66 4.265 3.496 -9.566 525 HG12 VAL 66 HG12 VAL 66 6.031 3.516 -9.617 526 HG13 VAL 66 HG13 VAL 66 5.120 4.995 -9.937 527 HG21 VAL 66 HG21 VAL 66 6.015 2.530 -7.233 528 HG22 VAL 66 HG22 VAL 66 4.249 2.574 -7.219 529 HG23 VAL 66 HG23 VAL 66 5.165 3.391 -5.953 530 H ASN 67 H ASN 67 8.288 5.503 -5.724 531 HA ASN 67 HA ASN 67 8.722 6.713 -3.827 532 HB2 ASN 67 HB2 ASN 67 6.285 8.340 -4.708 533 HB3 ASN 67 HB3 ASN 67 7.230 8.745 -3.280 534 HD21 ASN 67 HD21 ASN 67 7.423 8.375 -6.780 535 HD22 ASN 67 HD22 ASN 67 8.741 9.466 -6.997 536 H ILE 68 H ILE 68 7.018 4.310 -3.746 537 HA ILE 68 HA ILE 68 5.432 4.745 -1.306 538 HB ILE 68 HB ILE 68 5.535 2.203 -3.011 539 HG12 ILE 68 HG12 ILE 68 4.630 3.998 -4.428 540 HG13 ILE 68 HG13 ILE 68 3.348 2.878 -3.994 541 HG21 ILE 68 HG21 ILE 68 3.444 1.612 -1.827 542 HG22 ILE 68 HG22 ILE 68 3.561 3.088 -0.867 543 HG23 ILE 68 HG23 ILE 68 4.790 1.830 -0.706 544 HD11 ILE 68 HD11 ILE 68 3.829 5.602 -2.807 545 HD12 ILE 68 HD12 ILE 68 2.545 4.488 -2.324 546 HD13 ILE 68 HD13 ILE 68 2.571 5.155 -3.957 547 H GLN 69 H GLN 69 6.257 4.061 0.551 548 HA GLN 69 HA GLN 69 8.808 2.674 0.753 549 HB2 GLN 69 HB2 GLN 69 8.206 4.705 2.151 550 HB3 GLN 69 HB3 GLN 69 6.944 3.751 2.925 551 HG2 GLN 69 HG2 GLN 69 8.771 2.153 3.675 552 HG3 GLN 69 HG3 GLN 69 9.940 3.345 3.103 553 HE21 GLN 69 HE21 GLN 69 9.610 2.380 5.792 554 HE22 GLN 69 HE22 GLN 69 9.187 3.734 6.776 555 H THR 70 H THR 70 9.011 0.546 1.527 556 HA THR 70 HA THR 70 6.575 -0.885 2.382 557 HB THR 70 HB THR 70 9.400 -1.995 1.986 558 HG1 THR 70 HG1 THR 70 8.539 -1.389 0.001 559 HG21 THR 70 HG21 THR 70 8.035 -3.344 3.558 560 HG22 THR 70 HG22 THR 70 8.307 -4.202 2.041 561 HG23 THR 70 HG23 THR 70 6.747 -3.439 2.351 562 H ILE 71 H ILE 71 6.118 -0.620 4.441 563 HA ILE 71 HA ILE 71 7.973 0.178 6.499 564 HB ILE 71 HB ILE 71 5.094 -0.824 6.794 565 HG12 ILE 71 HG12 ILE 71 5.179 1.078 5.199 566 HG13 ILE 71 HG13 ILE 71 4.340 1.505 6.681 567 HG21 ILE 71 HG21 ILE 71 6.771 0.901 8.664 568 HG22 ILE 71 HG22 ILE 71 6.312 -0.784 8.918 569 HG23 ILE 71 HG23 ILE 71 5.076 0.469 8.900 570 HD11 ILE 71 HD11 ILE 71 5.755 3.288 5.891 571 HD12 ILE 71 HD12 ILE 71 7.165 2.238 5.994 572 HD13 ILE 71 HD13 ILE 71 6.296 2.699 7.461 573 H ALA 72 H ALA 72 5.811 -2.606 5.977 574 HA ALA 72 HA ALA 72 7.827 -4.479 7.055 575 HB1 ALA 72 HB1 ALA 72 6.258 -3.981 8.902 576 HB2 ALA 72 HB2 ALA 72 6.069 -5.644 8.349 577 HB3 ALA 72 HB3 ALA 72 4.890 -4.417 7.874 578 H MET 73 H MET 73 7.500 -6.645 6.286 579 HA MET 73 HA MET 73 5.409 -7.268 4.392 580 HB2 MET 73 HB2 MET 73 7.033 -6.111 2.913 581 HB3 MET 73 HB3 MET 73 8.324 -7.173 3.457 582 HG2 MET 73 HG2 MET 73 7.309 -9.074 2.370 583 HG3 MET 73 HG3 MET 73 5.850 -8.158 2.004 584 HE1 MET 73 HE1 MET 73 5.678 -6.329 0.111 585 HE2 MET 73 HE2 MET 73 7.068 -5.713 -0.782 586 HE3 MET 73 HE3 MET 73 6.918 -5.388 0.943 587 H SER 74 H SER 74 4.915 -9.350 4.632 588 HA SER 74 HA SER 74 6.234 -11.116 6.373 589 HB2 SER 74 HB2 SER 74 4.133 -11.729 4.243 590 HB3 SER 74 HB3 SER 74 4.581 -12.796 5.578 591 HG SER 74 HG SER 74 3.531 -11.525 6.963 592 H ARG 75 H ARG 75 7.230 -13.125 5.828 593 HA ARG 75 HA ARG 75 9.357 -12.724 3.949 594 HB2 ARG 75 HB2 ARG 75 8.684 -15.105 5.737 595 HB3 ARG 75 HB3 ARG 75 10.227 -14.850 4.916 596 HG2 ARG 75 HG2 ARG 75 10.702 -12.889 6.252 597 HG3 ARG 75 HG3 ARG 75 9.081 -12.902 6.948 598 HD2 ARG 75 HD2 ARG 75 9.606 -15.055 8.081 599 HD3 ARG 75 HD3 ARG 75 11.242 -14.987 7.414 600 HE ARG 75 HE ARG 75 11.799 -13.333 8.923 601 HH11 ARG 75 HH11 ARG 75 8.319 -13.869 9.149 602 HH12 ARG 75 HH12 ARG 75 8.162 -12.929 10.599 603 HH21 ARG 75 HH21 ARG 75 11.544 -12.085 10.807 604 HH22 ARG 75 HH22 ARG 75 9.975 -11.922 11.532 605 H ALA 76 H ALA 76 9.932 -14.070 2.203 606 HA ALA 76 HA ALA 76 7.860 -14.900 0.473 607 HB1 ALA 76 HB1 ALA 76 10.822 -15.585 0.356 608 HB2 ALA 76 HB2 ALA 76 10.064 -14.158 -0.356 609 HB3 ALA 76 HB3 ALA 76 9.669 -15.765 -0.971 610 H GLY 77 H GLY 77 6.734 -16.758 0.437 611 HA2 GLY 77 HA2 GLY 77 6.506 -19.112 0.446 612 HA3 GLY 77 HA3 GLY 77 7.821 -19.255 1.596 613 H SER 78 H SER 78 6.434 -16.921 3.170 614 HA SER 78 HA SER 78 4.711 -18.707 4.744 615 HB2 SER 78 HB2 SER 78 4.789 -16.939 6.476 616 HB3 SER 78 HB3 SER 78 6.409 -17.375 5.947 617 HG SER 78 HG SER 78 5.445 -15.339 4.454 618 H ARG 79 H ARG 79 2.599 -18.802 4.355 619 HA ARG 79 HA ARG 79 1.114 -16.341 3.643 620 HB2 ARG 79 HB2 ARG 79 0.512 -19.183 2.713 621 HB3 ARG 79 HB3 ARG 79 -0.632 -17.856 2.576 622 HG2 ARG 79 HG2 ARG 79 0.316 -17.993 0.434 623 HG3 ARG 79 HG3 ARG 79 1.168 -16.645 1.183 624 HD2 ARG 79 HD2 ARG 79 3.059 -18.224 1.710 625 HD3 ARG 79 HD3 ARG 79 2.207 -19.479 0.807 626 HE ARG 79 HE ARG 79 2.639 -17.070 -0.716 627 HH11 ARG 79 HH11 ARG 79 4.138 -20.109 0.287 628 HH12 ARG 79 HH12 ARG 79 5.242 -20.133 -1.055 629 HH21 ARG 79 HH21 ARG 79 4.124 -17.124 -2.428 630 HH22 ARG 79 HH22 ARG 79 5.228 -18.449 -2.577 631 HA PRO 80 HA PRO 80 -1.473 -15.947 3.560 632 HB2 PRO 80 HB2 PRO 80 -2.770 -14.116 5.145 633 HB3 PRO 80 HB3 PRO 80 -3.444 -15.718 4.786 634 HG2 PRO 80 HG2 PRO 80 -1.980 -14.803 7.239 635 HG3 PRO 80 HG3 PRO 80 -3.454 -15.791 7.109 636 HD2 PRO 80 HD2 PRO 80 -1.001 -16.899 7.546 637 HD3 PRO 80 HD3 PRO 80 -2.280 -17.736 6.642 638 H TRP 81 H TRP 81 -0.003 -14.744 2.589 639 HA TRP 81 HA TRP 81 2.061 -13.255 3.854 640 HB2 TRP 81 HB2 TRP 81 2.337 -14.203 1.579 641 HB3 TRP 81 HB3 TRP 81 1.046 -13.176 0.959 642 HD1 TRP 81 HD1 TRP 81 4.741 -13.019 2.062 643 HE1 TRP 81 HE1 TRP 81 5.745 -10.766 1.336 644 HE3 TRP 81 HE3 TRP 81 0.487 -10.743 0.339 645 HZ2 TRP 81 HZ2 TRP 81 4.853 -8.346 0.181 646 HZ3 TRP 81 HZ3 TRP 81 0.648 -8.465 -0.569 647 HH2 TRP 81 HH2 TRP 81 2.787 -7.287 -0.647 648 H LYS 82 H LYS 82 2.095 -11.073 4.446 649 HA LYS 82 HA LYS 82 0.166 -9.243 3.194 650 HB2 LYS 82 HB2 LYS 82 -0.649 -10.168 5.478 651 HB3 LYS 82 HB3 LYS 82 0.620 -9.181 6.205 652 HG2 LYS 82 HG2 LYS 82 -0.392 -7.151 5.271 653 HG3 LYS 82 HG3 LYS 82 -1.603 -8.124 4.427 654 HD2 LYS 82 HD2 LYS 82 -2.601 -7.180 6.422 655 HD3 LYS 82 HD3 LYS 82 -2.463 -8.925 6.625 656 HE2 LYS 82 HE2 LYS 82 -0.632 -8.694 8.142 657 HE3 LYS 82 HE3 LYS 82 -0.406 -6.989 7.730 658 HZ1 LYS 82 HZ1 LYS 82 -1.523 -7.227 9.842 659 HZ2 LYS 82 HZ2 LYS 82 -2.763 -8.133 9.135 660 HZ3 LYS 82 HZ3 LYS 82 -2.560 -6.506 8.718 661 H ALA 83 H ALA 83 0.732 -6.901 3.638 662 HA ALA 83 HA ALA 83 3.478 -6.327 4.395 663 HB1 ALA 83 HB1 ALA 83 3.736 -6.867 2.011 664 HB2 ALA 83 HB2 ALA 83 4.008 -5.147 2.291 665 HB3 ALA 83 HB3 ALA 83 2.481 -5.699 1.588 666 H TYR 84 H TYR 84 3.733 -4.264 5.021 667 HA TYR 84 HA TYR 84 1.433 -2.414 5.016 668 HB2 TYR 84 HB2 TYR 84 3.802 -2.636 6.933 669 HB3 TYR 84 HB3 TYR 84 2.590 -1.360 6.997 670 HD1 TYR 84 HD1 TYR 84 0.083 -2.969 6.506 671 HD2 TYR 84 HD2 TYR 84 3.460 -3.748 9.006 672 HE1 TYR 84 HE1 TYR 84 -1.335 -4.283 8.002 673 HE2 TYR 84 HE2 TYR 84 2.042 -5.076 10.507 674 HH TYR 84 HH TYR 84 -0.373 -5.215 11.110 675 H LEU 85 H LEU 85 1.680 -0.618 3.828 676 HA LEU 85 HA LEU 85 4.351 0.270 2.905 677 HB2 LEU 85 HB2 LEU 85 1.776 0.409 1.271 678 HB3 LEU 85 HB3 LEU 85 3.403 0.774 0.725 679 HG LEU 85 HG LEU 85 2.302 -1.992 1.369 680 HD11 LEU 85 HD11 LEU 85 1.441 -1.091 -0.728 681 HD12 LEU 85 HD12 LEU 85 2.569 -2.406 -1.043 682 HD13 LEU 85 HD13 LEU 85 3.081 -0.731 -1.282 683 HD21 LEU 85 HD21 LEU 85 4.444 -2.869 0.507 684 HD22 LEU 85 HD22 LEU 85 4.655 -1.924 1.977 685 HD23 LEU 85 HD23 LEU 85 5.077 -1.223 0.414 686 H SER 86 H SER 86 4.543 2.605 2.564 687 HA SER 86 HA SER 86 2.241 4.282 3.257 688 HB2 SER 86 HB2 SER 86 4.817 4.438 4.876 689 HB3 SER 86 HB3 SER 86 3.573 5.688 4.884 690 HG SER 86 HG SER 86 2.280 3.505 5.347 691 H ALA 87 H ALA 87 2.413 6.455 2.660 692 HA ALA 87 HA ALA 87 4.618 7.471 1.087 693 HB1 ALA 87 HB1 ALA 87 3.278 7.747 -0.985 694 HB2 ALA 87 HB2 ALA 87 1.953 6.840 -0.248 695 HB3 ALA 87 HB3 ALA 87 3.493 6.044 -0.580 696 H GLN 88 H GLN 88 3.910 9.699 0.147 697 HA GLN 88 HA GLN 88 1.672 10.943 1.633 698 HB2 GLN 88 HB2 GLN 88 3.855 11.448 2.810 699 HB3 GLN 88 HB3 GLN 88 4.438 12.217 1.334 700 HG2 GLN 88 HG2 GLN 88 2.596 13.871 1.485 701 HG3 GLN 88 HG3 GLN 88 2.042 13.108 2.976 702 HE21 GLN 88 HE21 GLN 88 4.441 15.158 1.534 703 HE22 GLN 88 HE22 GLN 88 5.195 15.661 3.001 704 H ASP 89 H ASP 89 0.443 12.250 0.332 705 HA ASP 89 HA ASP 89 1.203 12.573 -2.465 706 HB2 ASP 89 HB2 ASP 89 -1.065 13.411 -2.820 707 HB3 ASP 89 HB3 ASP 89 -1.118 11.917 -1.899 708 H ASP 90 H ASP 90 0.422 14.776 -3.403 709 HA ASP 90 HA ASP 90 2.249 16.777 -2.764 710 HB2 ASP 90 HB2 ASP 90 0.945 18.185 -4.346 711 HB3 ASP 90 HB3 ASP 90 1.241 16.568 -4.966 712 H THR 91 H THR 91 -0.954 16.230 -1.463 713 HA THR 91 HA THR 91 -1.180 18.963 -0.426 714 HB THR 91 HB THR 91 -3.402 17.762 0.595 715 HG1 THR 91 HG1 THR 91 -3.041 15.732 -0.210 716 HG21 THR 91 HG21 THR 91 -3.203 18.671 -2.299 717 HG22 THR 91 HG22 THR 91 -3.455 19.735 -0.910 718 HG23 THR 91 HG23 THR 91 -4.678 18.539 -1.343 719 H GLY 92 H GLY 92 0.397 16.201 0.605 720 HA2 GLY 92 HA2 GLY 92 1.658 16.172 2.578 721 HA3 GLY 92 HA3 GLY 92 0.542 17.305 3.320 722 H CYS 93 H CYS 93 -1.466 15.118 2.010 723 HA CYS 93 HA CYS 93 -2.140 13.791 4.406 724 HB2 CYS 93 HB2 CYS 93 -3.896 14.103 2.819 725 HB3 CYS 93 HB3 CYS 93 -2.966 13.378 1.513 726 HG CYS 93 HG CYS 93 -4.611 11.376 1.803 727 H LEU 94 H LEU 94 -1.626 11.824 5.178 728 HA LEU 94 HA LEU 94 0.629 10.395 3.995 729 HB2 LEU 94 HB2 LEU 94 0.335 11.168 6.515 730 HB3 LEU 94 HB3 LEU 94 -0.669 9.744 6.676 731 HG LEU 94 HG LEU 94 1.660 9.380 7.484 732 HD11 LEU 94 HD11 LEU 94 2.180 7.278 6.337 733 HD12 LEU 94 HD12 LEU 94 1.028 7.678 5.061 734 HD13 LEU 94 HD13 LEU 94 0.466 7.419 6.712 735 HD21 LEU 94 HD21 LEU 94 2.817 10.920 5.964 736 HD22 LEU 94 HD22 LEU 94 2.526 9.823 4.613 737 HD23 LEU 94 HD23 LEU 94 3.558 9.320 5.954 738 H PHE 95 H PHE 95 0.283 8.594 2.848 739 HA PHE 95 HA PHE 95 -2.309 7.193 2.848 740 HB2 PHE 95 HB2 PHE 95 -0.081 7.469 0.789 741 HB3 PHE 95 HB3 PHE 95 -1.235 6.142 0.680 742 HD1 PHE 95 HD2 PHE 95 -1.154 9.893 1.014 743 HD2 PHE 95 HD1 PHE 95 -3.219 6.466 -0.511 744 HE1 PHE 95 HE2 PHE 95 -2.774 11.349 -0.113 745 HE2 PHE 95 HE1 PHE 95 -4.835 7.941 -1.629 746 HZ PHE 95 HZ PHE 95 -4.611 10.379 -1.423 747 H LEU 96 H LEU 96 -2.405 5.264 3.773 748 HA LEU 96 HA LEU 96 0.045 3.637 4.117 749 HB2 LEU 96 HB2 LEU 96 -2.395 3.565 5.944 750 HB3 LEU 96 HB3 LEU 96 -0.882 2.704 6.143 751 HG LEU 96 HG LEU 96 0.116 5.219 6.252 752 HD11 LEU 96 HD11 LEU 96 -2.703 5.578 7.301 753 HD12 LEU 96 HD12 LEU 96 -2.027 6.324 5.849 754 HD13 LEU 96 HD13 LEU 96 -1.379 6.743 7.433 755 HD21 LEU 96 HD21 LEU 96 0.439 3.561 7.996 756 HD22 LEU 96 HD22 LEU 96 -1.199 3.827 8.600 757 HD23 LEU 96 HD23 LEU 96 0.006 5.115 8.704 758 H THR 97 H THR 97 -0.055 1.729 3.106 759 HA THR 97 HA THR 97 -2.658 0.668 2.173 760 HB THR 97 HB THR 97 0.038 0.237 0.778 761 HG1 THR 97 HG1 THR 97 -1.799 2.326 0.667 762 HG21 THR 97 HG21 THR 97 -1.709 -1.445 0.217 763 HG22 THR 97 HG22 THR 97 -1.378 -0.390 -1.159 764 HG23 THR 97 HG23 THR 97 -2.831 -0.139 -0.192 765 H GLU 98 H GLU 98 -3.020 -1.521 2.412 766 HA GLU 98 HA GLU 98 -0.898 -3.220 3.567 767 HB2 GLU 98 HB2 GLU 98 -2.485 -2.590 5.324 768 HB3 GLU 98 HB3 GLU 98 -3.847 -3.072 4.329 769 HG2 GLU 98 HG2 GLU 98 -2.980 -5.438 4.416 770 HG3 GLU 98 HG3 GLU 98 -1.758 -4.873 5.564 771 H LEU 99 H LEU 99 -0.402 -4.687 2.059 772 HA LEU 99 HA LEU 99 -2.450 -5.703 0.165 773 HB2 LEU 99 HB2 LEU 99 0.599 -5.948 0.033 774 HB3 LEU 99 HB3 LEU 99 -0.530 -6.506 -1.191 775 HG LEU 99 HG LEU 99 0.080 -3.607 -0.475 776 HD11 LEU 99 HD11 LEU 99 1.830 -4.671 -1.798 777 HD12 LEU 99 HD12 LEU 99 0.964 -3.489 -2.774 778 HD13 LEU 99 HD13 LEU 99 0.645 -5.214 -2.990 779 HD21 LEU 99 HD21 LEU 99 -1.418 -2.971 -2.322 780 HD22 LEU 99 HD22 LEU 99 -2.290 -3.787 -1.028 781 HD23 LEU 99 HD23 LEU 99 -1.906 -4.658 -2.515 782 H LEU 100 H LEU 100 -3.217 -7.740 0.564 783 HA LEU 100 HA LEU 100 -1.637 -9.594 2.277 784 HB2 LEU 100 HB2 LEU 100 -3.645 -8.395 3.396 785 HB3 LEU 100 HB3 LEU 100 -4.688 -9.327 2.343 786 HG LEU 100 HG LEU 100 -2.766 -10.632 4.331 787 HD11 LEU 100 HD11 LEU 100 -5.693 -9.959 4.788 788 HD12 LEU 100 HD12 LEU 100 -4.314 -9.198 5.582 789 HD13 LEU 100 HD13 LEU 100 -4.657 -10.899 5.872 790 HD21 LEU 100 HD21 LEU 100 -3.542 -12.142 2.565 791 HD22 LEU 100 HD22 LEU 100 -5.221 -11.742 2.938 792 HD23 LEU 100 HD23 LEU 100 -4.226 -12.595 4.124 793 H LEU 101 H LEU 101 -1.266 -11.503 1.201 794 HA LEU 101 HA LEU 101 -3.163 -12.333 -0.911 795 HB2 LEU 101 HB2 LEU 101 -0.864 -11.854 -1.730 796 HB3 LEU 101 HB3 LEU 101 -0.217 -13.060 -0.631 797 HG LEU 101 HG LEU 101 -1.287 -14.873 -1.878 798 HD11 LEU 101 HD11 LEU 101 -3.391 -13.779 -2.479 799 HD12 LEU 101 HD12 LEU 101 -2.621 -14.502 -3.888 800 HD13 LEU 101 HD13 LEU 101 -2.544 -12.755 -3.643 801 HD21 LEU 101 HD21 LEU 101 0.880 -14.065 -2.713 802 HD22 LEU 101 HD22 LEU 101 0.057 -12.934 -3.791 803 HD23 LEU 101 HD23 LEU 101 -0.123 -14.676 -4.027 804 H GLU 102 H GLU 102 -4.403 -13.939 -0.359 805 HA GLU 102 HA GLU 102 -4.150 -15.254 2.194 806 HB2 GLU 102 HB2 GLU 102 -6.257 -15.528 0.001 807 HB3 GLU 102 HB3 GLU 102 -6.395 -16.198 1.628 808 HG2 GLU 102 HG2 GLU 102 -6.229 -13.870 2.549 809 HG3 GLU 102 HG3 GLU 102 -6.245 -13.253 0.897 810 HA PRO 103 HA PRO 103 -2.262 -19.059 0.847 811 HB2 PRO 103 HB2 PRO 103 -3.013 -20.812 2.804 812 HB3 PRO 103 HB3 PRO 103 -1.940 -19.439 3.142 813 HG2 PRO 103 HG2 PRO 103 -4.868 -19.722 3.688 814 HG3 PRO 103 HG3 PRO 103 -3.596 -18.999 4.701 815 HD2 PRO 103 HD2 PRO 103 -5.328 -17.519 3.124 816 HD3 PRO 103 HD3 PRO 103 -3.721 -16.963 3.626 817 H GLY 104 H GLY 104 -2.937 -20.030 -0.995 818 HA2 GLY 104 HA2 GLY 104 -3.829 -21.866 -2.133 819 HA3 GLY 104 HA3 GLY 104 -5.032 -22.078 -0.871 820 H ASN 105 H ASN 105 -6.100 -19.442 -0.840 821 HA ASN 105 HA ASN 105 -7.845 -19.482 -3.135 822 HB2 ASN 105 HB2 ASN 105 -7.616 -17.479 -0.835 823 HB3 ASN 105 HB3 ASN 105 -8.859 -17.414 -2.084 824 HD21 ASN 105 HD21 ASN 105 -9.304 -17.635 0.710 825 HD22 ASN 105 HD22 ASN 105 -10.107 -19.138 0.994 826 H SER 106 H SER 106 -7.823 -18.173 -4.870 827 HA SER 106 HA SER 106 -5.469 -16.605 -5.518 828 HB2 SER 106 HB2 SER 106 -8.003 -17.231 -7.130 829 HB3 SER 106 HB3 SER 106 -6.570 -16.417 -7.771 830 HG SER 106 HG SER 106 -5.384 -18.315 -7.149 831 H GLU 107 H GLU 107 -6.496 -15.351 -3.404 832 HA GLU 107 HA GLU 107 -7.806 -12.918 -4.491 833 HB2 GLU 107 HB2 GLU 107 -8.379 -14.303 -1.827 834 HB3 GLU 107 HB3 GLU 107 -8.990 -12.707 -2.264 835 HG2 GLU 107 HG2 GLU 107 -10.232 -13.701 -4.159 836 HG3 GLU 107 HG3 GLU 107 -9.600 -15.291 -3.725 837 H MET 108 H MET 108 -6.573 -11.194 -4.265 838 HA MET 108 HA MET 108 -4.820 -10.895 -1.903 839 HB2 MET 108 HB2 MET 108 -3.485 -10.795 -3.947 840 HB3 MET 108 HB3 MET 108 -4.582 -9.624 -4.668 841 HG2 MET 108 HG2 MET 108 -3.896 -7.923 -3.078 842 HG3 MET 108 HG3 MET 108 -2.920 -9.089 -2.185 843 HE1 MET 108 HE1 MET 108 -0.522 -9.804 -2.817 844 HE2 MET 108 HE2 MET 108 0.150 -9.650 -4.438 845 HE3 MET 108 HE3 MET 108 -1.228 -10.715 -4.157 846 H GLN 109 H GLN 109 -5.370 -9.299 -0.515 847 HA GLN 109 HA GLN 109 -7.713 -7.618 -1.050 848 HB2 GLN 109 HB2 GLN 109 -6.353 -8.481 1.556 849 HB3 GLN 109 HB3 GLN 109 -7.825 -7.510 1.449 850 HG2 GLN 109 HG2 GLN 109 -9.086 -9.345 0.551 851 HG3 GLN 109 HG3 GLN 109 -7.629 -10.305 0.286 852 HE21 GLN 109 HE21 GLN 109 -10.076 -10.870 1.888 853 HE22 GLN 109 HE22 GLN 109 -9.491 -11.266 3.458 854 H ILE 110 H ILE 110 -7.283 -5.549 -1.436 855 HA ILE 110 HA ILE 110 -4.734 -4.290 -0.601 856 HB ILE 110 HB ILE 110 -6.572 -3.504 -2.928 857 HG12 ILE 110 HG12 ILE 110 -4.451 -4.034 -4.349 858 HG13 ILE 110 HG13 ILE 110 -3.874 -4.917 -2.941 859 HG21 ILE 110 HG21 ILE 110 -4.855 -1.826 -3.521 860 HG22 ILE 110 HG22 ILE 110 -3.944 -2.246 -2.071 861 HG23 ILE 110 HG23 ILE 110 -5.546 -1.521 -1.926 862 HD11 ILE 110 HD11 ILE 110 -4.888 -6.379 -4.613 863 HD12 ILE 110 HD12 ILE 110 -6.414 -5.507 -4.463 864 HD13 ILE 110 HD13 ILE 110 -5.780 -6.422 -3.093 865 H SER 111 H SER 111 -5.061 -2.966 1.114 866 HA SER 111 HA SER 111 -7.640 -1.511 1.382 867 HB2 SER 111 HB2 SER 111 -7.254 -3.149 3.209 868 HB3 SER 111 HB3 SER 111 -5.718 -2.374 3.600 869 HG SER 111 HG SER 111 -7.769 -1.783 4.799 870 H VAL 112 H VAL 112 -7.364 0.536 0.772 871 HA VAL 112 HA VAL 112 -4.824 1.951 1.269 872 HB VAL 112 HB VAL 112 -7.195 2.915 -0.425 873 HG11 VAL 112 HG11 VAL 112 -5.741 4.716 0.398 874 HG12 VAL 112 HG12 VAL 112 -5.534 4.514 -1.343 875 HG13 VAL 112 HG13 VAL 112 -4.317 3.883 -0.231 876 HG21 VAL 112 HG21 VAL 112 -6.279 0.863 -1.428 877 HG22 VAL 112 HG22 VAL 112 -4.650 1.545 -1.377 878 HG23 VAL 112 HG23 VAL 112 -5.879 2.273 -2.416 879 H LYS 113 H LYS 113 -4.784 3.328 2.951 880 HA LYS 113 HA LYS 113 -7.230 4.586 4.003 881 HB2 LYS 113 HB2 LYS 113 -6.880 2.584 5.354 882 HB3 LYS 113 HB3 LYS 113 -5.166 2.937 5.534 883 HG2 LYS 113 HG2 LYS 113 -5.768 4.953 6.876 884 HG3 LYS 113 HG3 LYS 113 -7.466 4.479 6.770 885 HD2 LYS 113 HD2 LYS 113 -5.233 2.837 8.032 886 HD3 LYS 113 HD3 LYS 113 -6.449 3.765 8.908 887 HE2 LYS 113 HE2 LYS 113 -8.216 2.309 7.940 888 HE3 LYS 113 HE3 LYS 113 -6.962 1.354 7.141 889 HZ1 LYS 113 HZ1 LYS 113 -6.085 0.722 9.258 890 HZ2 LYS 113 HZ2 LYS 113 -7.743 0.409 9.266 891 HZ3 LYS 113 HZ3 LYS 113 -7.137 1.758 10.077 892 H GLN 114 H GLN 114 -6.684 6.652 3.521 893 HA GLN 114 HA GLN 114 -3.989 7.655 4.213 894 HB2 GLN 114 HB2 GLN 114 -4.433 9.493 2.646 895 HB3 GLN 114 HB3 GLN 114 -4.548 7.933 1.855 896 HG2 GLN 114 HG2 GLN 114 -7.072 9.222 2.852 897 HG3 GLN 114 HG3 GLN 114 -6.314 9.858 1.397 898 HE21 GLN 114 HE21 GLN 114 -8.130 9.249 0.205 899 HE22 GLN 114 HE22 GLN 114 -8.439 7.618 -0.237 900 H ASN 115 H ASN 115 -4.010 10.077 4.763 901 HA ASN 115 HA ASN 115 -5.560 10.433 7.169 902 HB2 ASN 115 HB2 ASN 115 -3.146 11.184 6.867 903 HB3 ASN 115 HB3 ASN 115 -3.727 12.470 5.819 904 HD21 ASN 115 HD21 ASN 115 -2.264 12.635 8.309 905 HD22 ASN 115 HD22 ASN 115 -3.225 13.577 9.392 906 H GLU 116 H GLU 116 -5.166 12.762 4.440 907 HA GLU 116 HA GLU 116 -8.052 13.389 4.557 908 HB2 GLU 116 HB2 GLU 116 -5.707 14.899 3.313 909 HB3 GLU 116 HB3 GLU 116 -7.390 15.318 2.997 910 HG2 GLU 116 HG2 GLU 116 -7.692 15.629 5.484 911 HG3 GLU 116 HG3 GLU 116 -5.950 15.406 5.648 912 H ALA 117 H ALA 117 -9.310 12.331 3.153 913 HA ALA 117 HA ALA 117 -8.240 10.960 0.826 914 HB1 ALA 117 HB1 ALA 117 -9.859 9.821 2.295 915 HB2 ALA 117 HB2 ALA 117 -10.507 9.991 0.663 916 HB3 ALA 117 HB3 ALA 117 -11.066 11.064 1.949 917 H ARG 118 H ARG 118 -7.962 12.147 -0.986 918 HA ARG 118 HA ARG 118 -10.143 13.915 -1.943 919 HB2 ARG 118 HB2 ARG 118 -7.253 13.578 -2.884 920 HB3 ARG 118 HB3 ARG 118 -8.438 14.562 -3.736 921 HG2 ARG 118 HG2 ARG 118 -8.543 16.152 -1.994 922 HG3 ARG 118 HG3 ARG 118 -7.787 15.064 -0.839 923 HD2 ARG 118 HD2 ARG 118 -6.222 16.820 -1.497 924 HD3 ARG 118 HD3 ARG 118 -5.651 15.245 -2.051 925 HE ARG 118 HE ARG 118 -7.162 16.754 -4.022 926 HH11 ARG 118 HH11 ARG 118 -3.953 16.068 -2.738 927 HH12 ARG 118 HH12 ARG 118 -3.132 16.590 -4.176 928 HH21 ARG 118 HH21 ARG 118 -6.052 17.476 -5.900 929 HH22 ARG 118 HH22 ARG 118 -4.322 17.380 -5.953 930 H THR 119 H THR 119 -11.157 13.434 -3.899 931 HA THR 119 HA THR 119 -11.414 10.773 -4.751 932 HB THR 119 HB THR 119 -12.062 13.316 -6.323 933 HG1 THR 119 HG1 THR 119 -13.097 12.290 -4.034 934 HG21 THR 119 HG21 THR 119 -12.180 11.269 -7.726 935 HG22 THR 119 HG22 THR 119 -13.794 11.906 -7.429 936 HG23 THR 119 HG23 THR 119 -13.235 10.504 -6.522 937 H GLU 120 H GLU 120 -9.397 13.462 -5.743 938 HA GLU 120 HA GLU 120 -8.300 12.470 -8.169 939 HB2 GLU 120 HB2 GLU 120 -7.031 14.372 -6.129 940 HB3 GLU 120 HB3 GLU 120 -6.505 14.179 -7.803 941 HG2 GLU 120 HG2 GLU 120 -8.458 15.229 -8.650 942 HG3 GLU 120 HG3 GLU 120 -9.296 15.123 -7.099 943 H THR 121 H THR 121 -7.042 12.514 -4.819 944 HA THR 121 HA THR 121 -4.617 11.180 -5.555 945 HB THR 121 HB THR 121 -4.091 11.281 -3.116 946 HG1 THR 121 HG1 THR 121 -5.562 12.120 -1.682 947 HG21 THR 121 HG21 THR 121 -3.599 13.236 -4.563 948 HG22 THR 121 HG22 THR 121 -4.038 13.748 -2.932 949 HG23 THR 121 HG23 THR 121 -5.212 13.877 -4.241 950 H LEU 122 H LEU 122 -7.568 10.109 -3.755 951 HA LEU 122 HA LEU 122 -6.610 7.560 -3.075 952 HB2 LEU 122 HB2 LEU 122 -8.605 8.489 -1.999 953 HB3 LEU 122 HB3 LEU 122 -9.478 8.482 -3.523 954 HG LEU 122 HG LEU 122 -9.528 6.017 -3.542 955 HD11 LEU 122 HD11 LEU 122 -7.385 5.513 -2.493 956 HD12 LEU 122 HD12 LEU 122 -8.695 4.673 -1.671 957 HD13 LEU 122 HD13 LEU 122 -7.978 6.112 -0.939 958 HD21 LEU 122 HD21 LEU 122 -11.331 7.172 -2.331 959 HD22 LEU 122 HD22 LEU 122 -10.400 7.066 -0.834 960 HD23 LEU 122 HD23 LEU 122 -10.974 5.594 -1.628 961 H ASN 123 H ASN 123 -8.647 8.574 -5.905 962 HA ASN 123 HA ASN 123 -8.864 5.960 -7.016 963 HB2 ASN 123 HB2 ASN 123 -9.277 8.734 -8.184 964 HB3 ASN 123 HB3 ASN 123 -9.452 7.308 -9.194 965 HD21 ASN 123 HD21 ASN 123 -11.423 9.303 -8.403 966 HD22 ASN 123 HD22 ASN 123 -12.705 8.440 -7.632 967 H SER 124 H SER 124 -6.561 8.598 -7.566 968 HA SER 124 HA SER 124 -5.172 7.304 -9.717 969 HB2 SER 124 HB2 SER 124 -5.142 9.737 -9.506 970 HB3 SER 124 HB3 SER 124 -4.330 9.625 -7.945 971 HG SER 124 HG SER 124 -2.826 10.046 -9.565 972 H PHE 125 H PHE 125 -4.860 7.258 -6.195 973 HA PHE 125 HA PHE 125 -2.226 6.127 -6.102 974 HB2 PHE 125 HB2 PHE 125 -3.300 7.374 -4.186 975 HB3 PHE 125 HB3 PHE 125 -4.379 6.008 -3.934 976 HD1 PHE 125 HD2 PHE 125 -0.866 7.180 -3.711 977 HD2 PHE 125 HD1 PHE 125 -3.581 3.993 -2.835 978 HE1 PHE 125 HE2 PHE 125 0.809 6.148 -2.234 979 HE2 PHE 125 HE1 PHE 125 -1.906 2.975 -1.374 980 HZ PHE 125 HZ PHE 125 0.291 4.043 -1.062 981 H ILE 126 H ILE 126 -5.519 4.829 -5.914 982 HA ILE 126 HA ILE 126 -4.971 2.074 -5.784 983 HB ILE 126 HB ILE 126 -7.280 3.506 -7.202 984 HG12 ILE 126 HG12 ILE 126 -7.323 2.253 -4.417 985 HG13 ILE 126 HG13 ILE 126 -6.985 3.958 -4.689 986 HG21 ILE 126 HG21 ILE 126 -7.100 0.597 -6.332 987 HG22 ILE 126 HG22 ILE 126 -7.091 1.186 -7.997 988 HG23 ILE 126 HG23 ILE 126 -8.533 1.381 -6.998 989 HD11 ILE 126 HD11 ILE 126 -9.543 2.526 -5.397 990 HD12 ILE 126 HD12 ILE 126 -9.198 4.232 -5.699 991 HD13 ILE 126 HD13 ILE 126 -9.283 3.629 -4.045 992 H SER 127 H SER 127 -5.265 4.342 -8.515 993 HA SER 127 HA SER 127 -4.892 2.523 -10.628 994 HB2 SER 127 HB2 SER 127 -5.864 4.748 -10.955 995 HB3 SER 127 HB3 SER 127 -4.340 5.514 -10.512 996 HG SER 127 HG SER 127 -3.739 5.289 -12.497 997 H VAL 128 H VAL 128 -2.521 4.339 -8.668 998 HA VAL 128 HA VAL 128 -0.178 3.618 -10.056 999 HB VAL 128 HB VAL 128 -0.617 4.223 -7.084 1000 HG11 VAL 128 HG11 VAL 128 1.843 4.495 -6.894 1001 HG12 VAL 128 HG12 VAL 128 2.031 3.888 -8.542 1002 HG13 VAL 128 HG13 VAL 128 1.396 2.831 -7.279 1003 HG21 VAL 128 HG21 VAL 128 0.577 5.908 -9.317 1004 HG22 VAL 128 HG22 VAL 128 0.460 6.393 -7.621 1005 HG23 VAL 128 HG23 VAL 128 -1.003 6.141 -8.572 1006 H LEU 129 H LEU 129 -1.732 2.128 -7.199 1007 HA LEU 129 HA LEU 129 -0.217 -0.166 -6.965 1008 HB2 LEU 129 HB2 LEU 129 -3.181 0.128 -6.349 1009 HB3 LEU 129 HB3 LEU 129 -2.137 -1.151 -5.738 1010 HG LEU 129 HG LEU 129 -1.817 1.808 -5.093 1011 HD11 LEU 129 HD11 LEU 129 -2.903 -0.433 -3.376 1012 HD12 LEU 129 HD12 LEU 129 -3.845 0.873 -4.101 1013 HD13 LEU 129 HD13 LEU 129 -2.641 1.240 -2.867 1014 HD21 LEU 129 HD21 LEU 129 0.338 0.645 -5.000 1015 HD22 LEU 129 HD22 LEU 129 -0.352 -0.594 -3.948 1016 HD23 LEU 129 HD23 LEU 129 -0.211 1.073 -3.380 1017 H GLU 130 H GLU 130 -2.994 0.388 -9.149 1018 HA GLU 130 HA GLU 130 -3.399 -2.287 -9.986 1019 HB2 GLU 130 HB2 GLU 130 -3.997 0.342 -11.417 1020 HB3 GLU 130 HB3 GLU 130 -4.568 -1.229 -11.963 1021 HG2 GLU 130 HG2 GLU 130 -5.318 0.156 -9.385 1022 HG3 GLU 130 HG3 GLU 130 -6.324 0.027 -10.819 1023 H THR 131 H THR 131 -1.592 0.438 -11.428 1024 HA THR 131 HA THR 131 -0.576 -0.942 -13.667 1025 HB THR 131 HB THR 131 0.590 1.530 -12.299 1026 HG1 THR 131 HG1 THR 131 -0.796 2.054 -14.527 1027 HG21 THR 131 HG21 THR 131 0.899 0.556 -15.178 1028 HG22 THR 131 HG22 THR 131 2.173 0.528 -13.950 1029 HG23 THR 131 HG23 THR 131 1.524 2.065 -14.528 1030 H VAL 132 H VAL 132 0.777 -0.392 -10.425 1031 HA VAL 132 HA VAL 132 3.378 -1.388 -10.887 1032 HB VAL 132 HB VAL 132 1.792 -1.038 -8.295 1033 HG11 VAL 132 HG11 VAL 132 3.402 -2.858 -7.896 1034 HG12 VAL 132 HG12 VAL 132 3.921 -1.397 -7.053 1035 HG13 VAL 132 HG13 VAL 132 4.708 -1.874 -8.559 1036 HG21 VAL 132 HG21 VAL 132 2.456 1.040 -9.454 1037 HG22 VAL 132 HG22 VAL 132 4.137 0.504 -9.476 1038 HG23 VAL 132 HG23 VAL 132 3.348 0.865 -7.939 1039 H ILE 133 H ILE 133 0.550 -2.941 -9.343 1040 HA ILE 133 HA ILE 133 1.572 -5.530 -9.009 1041 HB ILE 133 HB ILE 133 -1.289 -4.520 -9.375 1042 HG12 ILE 133 HG12 ILE 133 0.188 -5.537 -6.889 1043 HG13 ILE 133 HG13 ILE 133 -0.131 -3.848 -7.268 1044 HG21 ILE 133 HG21 ILE 133 -0.499 -7.370 -8.707 1045 HG22 ILE 133 HG22 ILE 133 -1.301 -6.827 -10.180 1046 HG23 ILE 133 HG23 ILE 133 -2.141 -6.721 -8.633 1047 HD11 ILE 133 HD11 ILE 133 -2.199 -5.952 -6.641 1048 HD12 ILE 133 HD12 ILE 133 -2.541 -4.276 -7.080 1049 HD13 ILE 133 HD13 ILE 133 -1.666 -4.637 -5.592 1050 H GLY 134 H GLY 134 -0.192 -4.092 -11.727 1051 HA2 GLY 134 HA2 GLY 134 -0.558 -6.379 -13.331 1052 HA3 GLY 134 HA3 GLY 134 -0.603 -4.720 -13.893 1053 H THR 135 H THR 135 2.025 -3.941 -13.379 1054 HA THR 135 HA THR 135 3.405 -4.891 -15.676 1055 HB THR 135 HB THR 135 4.441 -3.182 -13.365 1056 HG1 THR 135 HG1 THR 135 2.557 -2.474 -14.754 1057 HG21 THR 135 HG21 THR 135 6.135 -2.351 -14.955 1058 HG22 THR 135 HG22 THR 135 5.543 -3.458 -16.192 1059 HG23 THR 135 HG23 THR 135 6.309 -4.094 -14.735 1060 H ILE 136 H ILE 136 3.594 -5.624 -12.231 1061 HA ILE 136 HA ILE 136 6.029 -7.173 -12.348 1062 HB ILE 136 HB ILE 136 3.901 -6.914 -10.176 1063 HG12 ILE 136 HG12 ILE 136 6.694 -5.668 -10.298 1064 HG13 ILE 136 HG13 ILE 136 5.222 -4.826 -10.770 1065 HG21 ILE 136 HG21 ILE 136 5.087 -9.049 -9.899 1066 HG22 ILE 136 HG22 ILE 136 5.558 -7.921 -8.629 1067 HG23 ILE 136 HG23 ILE 136 6.644 -8.223 -9.989 1068 HD11 ILE 136 HD11 ILE 136 5.832 -5.876 -8.013 1069 HD12 ILE 136 HD12 ILE 136 4.360 -5.031 -8.503 1070 HD13 ILE 136 HD13 ILE 136 5.911 -4.198 -8.547 1071 H GLU 137 H GLU 137 2.664 -7.764 -12.878 1072 HA GLU 137 HA GLU 137 2.891 -10.652 -12.380 1073 HB2 GLU 137 HB2 GLU 137 0.843 -8.698 -11.940 1074 HB3 GLU 137 HB3 GLU 137 0.205 -9.755 -13.193 1075 HG2 GLU 137 HG2 GLU 137 1.297 -10.634 -10.512 1076 HG3 GLU 137 HG3 GLU 137 -0.412 -10.464 -10.909 1077 H GLU 138 H GLU 138 2.368 -12.210 -13.889 1078 HA GLU 138 HA GLU 138 2.589 -11.618 -16.707 1079 HB2 GLU 138 HB2 GLU 138 1.788 -14.241 -15.370 1080 HB3 GLU 138 HB3 GLU 138 2.326 -14.037 -17.033 1081 HG2 GLU 138 HG2 GLU 138 3.991 -13.606 -14.540 1082 HG3 GLU 138 HG3 GLU 138 4.096 -14.986 -15.629 1083 H ILE 139 H ILE 139 0.124 -11.312 -14.512 1084 HA ILE 139 HA ILE 139 -2.014 -10.714 -14.599 1085 HB ILE 139 HB ILE 139 -1.779 -10.642 -17.646 1086 HG12 ILE 139 HG12 ILE 139 -1.382 -8.342 -15.667 1087 HG13 ILE 139 HG13 ILE 139 -0.068 -9.193 -16.474 1088 HG21 ILE 139 HG21 ILE 139 -3.708 -9.075 -17.540 1089 HG22 ILE 139 HG22 ILE 139 -3.782 -9.282 -15.789 1090 HG23 ILE 139 HG23 ILE 139 -4.120 -10.649 -16.853 1091 HD11 ILE 139 HD11 ILE 139 -2.207 -7.556 -17.825 1092 HD12 ILE 139 HD12 ILE 139 -0.897 -8.423 -18.636 1093 HD13 ILE 139 HD13 ILE 139 -0.530 -7.088 -17.545 1094 H LYS 140 H LYS 140 -2.047 -12.980 -13.790 1095 HA LYS 140 HA LYS 140 -3.201 -14.909 -13.478 1096 HB2 LYS 140 HB2 LYS 140 -5.038 -13.705 -15.578 1097 HB3 LYS 140 HB3 LYS 140 -5.458 -15.055 -14.523 1098 HG2 LYS 140 HG2 LYS 140 -5.410 -13.687 -12.565 1099 HG3 LYS 140 HG3 LYS 140 -4.625 -12.354 -13.420 1100 HD2 LYS 140 HD2 LYS 140 -6.702 -12.077 -14.805 1101 HD3 LYS 140 HD3 LYS 140 -7.482 -13.338 -13.844 1102 HE2 LYS 140 HE2 LYS 140 -7.357 -11.971 -11.844 1103 HE3 LYS 140 HE3 LYS 140 -6.370 -10.762 -12.670 1104 HZ1 LYS 140 HZ1 LYS 140 -8.727 -10.118 -12.460 1105 HZ2 LYS 140 HZ2 LYS 140 -9.169 -11.439 -13.421 1106 HZ3 LYS 140 HZ3 LYS 140 -8.221 -10.205 -14.074 1107 H SER 141 H SER 141 -4.550 -16.719 -15.109 1108 HA SER 141 HA SER 141 -2.959 -17.249 -17.508 1109 HB2 SER 141 HB2 SER 141 -3.077 -19.196 -15.157 1110 HB3 SER 141 HB3 SER 141 -2.494 -19.625 -16.768 1111 HG SER 141 HG SER 141 -1.049 -17.648 -16.327 Start of MODEL 12 1 H1 MET 1 H1 MET 1 5.751 55.073 -43.329 2 H2 MET 1 H2 MET 1 6.797 54.950 -44.645 3 H3 MET 1 H3 MET 1 7.168 55.984 -43.363 4 HA MET 1 HA MET 1 7.018 53.031 -43.247 5 HB2 MET 1 HB2 MET 1 9.428 54.901 -43.028 6 HB3 MET 1 HB3 MET 1 9.479 53.150 -42.846 7 HG2 MET 1 HG2 MET 1 10.311 53.753 -45.035 8 HG3 MET 1 HG3 MET 1 8.775 52.907 -45.219 9 HE1 MET 1 HE1 MET 1 8.726 55.500 -48.206 10 HE2 MET 1 HE2 MET 1 8.485 53.807 -47.771 11 HE3 MET 1 HE3 MET 1 10.080 54.548 -47.599 12 H GLY 2 H GLY 2 7.193 52.138 -41.136 13 HA2 GLY 2 HA2 GLY 2 7.482 52.182 -38.800 14 HA3 GLY 2 HA3 GLY 2 7.481 53.938 -38.825 15 H HIS 3 H HIS 3 5.286 51.245 -39.669 16 HA HIS 3 HA HIS 3 2.872 52.679 -39.005 17 HB2 HIS 3 HB2 HIS 3 2.899 50.980 -40.802 18 HB3 HIS 3 HB3 HIS 3 3.367 49.730 -39.658 19 HD1 HIS 3 HD1 HIS 3 1.493 48.432 -38.639 20 HD2 HIS 3 HD2 HIS 3 0.166 51.989 -40.328 21 HE1 HIS 3 HE1 HIS 3 -1.007 48.354 -38.503 22 HE2 HIS 3 HE2 HIS 3 -1.783 50.544 -39.457 23 H HIS 4 H HIS 4 2.640 53.196 -36.871 24 HA HIS 4 HA HIS 4 3.593 51.553 -34.703 25 HB2 HIS 4 HB2 HIS 4 2.127 54.196 -34.861 26 HB3 HIS 4 HB3 HIS 4 2.206 53.351 -33.320 27 HD1 HIS 4 HD1 HIS 4 3.923 54.504 -31.963 28 HD2 HIS 4 HD2 HIS 4 5.172 54.025 -35.904 29 HE1 HIS 4 HE1 HIS 4 6.282 55.360 -32.038 30 HE2 HIS 4 HE2 HIS 4 7.013 55.069 -34.426 31 H HIS 5 H HIS 5 2.525 49.565 -34.896 32 HA HIS 5 HA HIS 5 0.158 49.367 -33.309 33 HB2 HIS 5 HB2 HIS 5 -0.881 49.834 -35.562 34 HB3 HIS 5 HB3 HIS 5 -0.087 48.400 -36.202 35 HD1 HIS 5 HD1 HIS 5 -0.968 46.078 -35.347 36 HD2 HIS 5 HD2 HIS 5 -3.231 49.351 -34.130 37 HE1 HIS 5 HE1 HIS 5 -3.127 45.135 -34.496 38 HE2 HIS 5 HE2 HIS 5 -4.449 47.117 -33.707 39 H HIS 6 H HIS 6 1.810 48.256 -32.097 40 HA HIS 6 HA HIS 6 2.262 45.442 -32.959 41 HB2 HIS 6 HB2 HIS 6 4.125 47.211 -31.304 42 HB3 HIS 6 HB3 HIS 6 4.366 45.490 -31.571 43 HD1 HIS 6 HD1 HIS 6 5.748 48.472 -32.687 44 HD2 HIS 6 HD2 HIS 6 4.293 45.127 -34.690 45 HE1 HIS 6 HE1 HIS 6 6.824 48.516 -34.956 46 HE2 HIS 6 HE2 HIS 6 5.881 46.524 -36.171 47 H HIS 7 H HIS 7 1.265 44.041 -31.685 48 HA HIS 7 HA HIS 7 0.560 44.725 -28.885 49 HB2 HIS 7 HB2 HIS 7 -1.435 44.390 -30.245 50 HB3 HIS 7 HB3 HIS 7 -0.795 42.896 -30.910 51 HD1 HIS 7 HD1 HIS 7 -1.455 40.786 -29.748 52 HD2 HIS 7 HD2 HIS 7 -2.145 44.142 -27.382 53 HE1 HIS 7 HE1 HIS 7 -2.754 39.961 -27.767 54 HE2 HIS 7 HE2 HIS 7 -3.082 41.986 -26.307 55 H HIS 8 H HIS 8 2.037 43.796 -27.556 56 HA HIS 8 HA HIS 8 3.579 41.488 -28.336 57 HB2 HIS 8 HB2 HIS 8 4.783 41.748 -26.222 58 HB3 HIS 8 HB3 HIS 8 4.623 43.303 -27.010 59 HD1 HIS 8 HD1 HIS 8 4.067 41.602 -23.837 60 HD2 HIS 8 HD2 HIS 8 2.683 45.057 -25.688 61 HE1 HIS 8 HE1 HIS 8 3.077 43.004 -22.007 62 HE2 HIS 8 HE2 HIS 8 2.051 44.963 -23.191 63 H SER 9 H SER 9 3.230 39.430 -27.885 64 HA SER 9 HA SER 9 0.791 38.595 -26.511 65 HB2 SER 9 HB2 SER 9 1.355 36.350 -27.532 66 HB3 SER 9 HB3 SER 9 1.178 37.640 -28.717 67 HG SER 9 HG SER 9 3.585 36.508 -27.727 68 H HIS 10 H HIS 10 0.750 37.303 -24.693 69 HA HIS 10 HA HIS 10 3.028 36.188 -23.390 70 HB2 HIS 10 HB2 HIS 10 3.090 37.721 -21.411 71 HB3 HIS 10 HB3 HIS 10 3.582 38.529 -22.891 72 HD1 HIS 10 HD1 HIS 10 1.218 38.786 -20.097 73 HD2 HIS 10 HD2 HIS 10 1.551 40.353 -23.932 74 HE1 HIS 10 HE1 HIS 10 -0.313 40.777 -20.153 75 HE2 HIS 10 HE2 HIS 10 -0.158 41.654 -22.503 76 H MET 11 H MET 11 2.423 34.793 -21.768 77 HA MET 11 HA MET 11 -0.034 34.917 -20.311 78 HB2 MET 11 HB2 MET 11 -0.966 34.053 -22.452 79 HB3 MET 11 HB3 MET 11 0.201 32.741 -22.451 80 HG2 MET 11 HG2 MET 11 -0.848 31.805 -20.419 81 HG3 MET 11 HG3 MET 11 -1.999 33.138 -20.396 82 HE1 MET 11 HE1 MET 11 -0.757 29.973 -22.418 83 HE2 MET 11 HE2 MET 11 -0.742 31.221 -23.665 84 HE3 MET 11 HE3 MET 11 -1.931 29.921 -23.733 85 H GLN 12 H GLN 12 1.094 34.567 -18.450 86 HA GLN 12 HA GLN 12 2.894 32.239 -18.217 87 HB2 GLN 12 HB2 GLN 12 3.654 34.522 -17.414 88 HB3 GLN 12 HB3 GLN 12 2.382 34.466 -16.198 89 HG2 GLN 12 HG2 GLN 12 3.408 32.509 -15.157 90 HG3 GLN 12 HG3 GLN 12 4.638 32.445 -16.418 91 HE21 GLN 12 HE21 GLN 12 5.008 32.685 -13.543 92 HE22 GLN 12 HE22 GLN 12 5.909 34.139 -13.301 93 H GLU 13 H GLU 13 1.892 30.400 -17.634 94 HA GLU 13 HA GLU 13 -0.672 30.316 -16.293 95 HB2 GLU 13 HB2 GLU 13 -0.448 27.856 -16.506 96 HB3 GLU 13 HB3 GLU 13 -0.112 28.667 -18.033 97 HG2 GLU 13 HG2 GLU 13 2.354 28.462 -17.491 98 HG3 GLU 13 HG3 GLU 13 1.901 27.449 -16.123 99 H LEU 14 H LEU 14 -1.102 29.425 -14.248 100 HA LEU 14 HA LEU 14 1.077 29.506 -12.277 101 HB2 LEU 14 HB2 LEU 14 -1.949 29.327 -11.911 102 HB3 LEU 14 HB3 LEU 14 -0.789 29.325 -10.595 103 HG LEU 14 HG LEU 14 -0.048 31.661 -11.430 104 HD11 LEU 14 HD11 LEU 14 -1.053 31.620 -13.651 105 HD12 LEU 14 HD12 LEU 14 -1.657 32.981 -12.710 106 HD13 LEU 14 HD13 LEU 14 -2.668 31.551 -12.942 107 HD21 LEU 14 HD21 LEU 14 -2.849 31.379 -10.296 108 HD22 LEU 14 HD22 LEU 14 -1.824 32.816 -10.196 109 HD23 LEU 14 HD23 LEU 14 -1.344 31.334 -9.373 110 HA PRO 15 HA PRO 15 1.290 25.029 -12.113 111 HB2 PRO 15 HB2 PRO 15 2.218 24.587 -9.565 112 HB3 PRO 15 HB3 PRO 15 3.230 25.292 -10.844 113 HG2 PRO 15 HG2 PRO 15 1.759 26.686 -8.624 114 HG3 PRO 15 HG3 PRO 15 3.412 26.960 -9.219 115 HD2 PRO 15 HD2 PRO 15 1.315 28.549 -9.949 116 HD3 PRO 15 HD3 PRO 15 2.694 28.237 -11.026 117 H ASP 16 H ASP 16 -0.376 23.619 -12.019 118 HA ASP 16 HA ASP 16 -2.640 23.846 -10.297 119 HB2 ASP 16 HB2 ASP 16 -1.715 21.636 -12.176 120 HB3 ASP 16 HB3 ASP 16 -3.170 21.471 -11.200 121 H SER 17 H SER 17 -1.687 23.935 -8.226 122 HA SER 17 HA SER 17 -0.378 21.626 -7.060 123 HB2 SER 17 HB2 SER 17 -1.463 24.152 -5.723 124 HB3 SER 17 HB3 SER 17 -0.333 22.987 -5.012 125 HG SER 17 HG SER 17 1.033 23.546 -6.917 126 H GLY 18 H GLY 18 -1.753 19.882 -7.012 127 HA2 GLY 18 HA2 GLY 18 -3.558 19.373 -5.041 128 HA3 GLY 18 HA3 GLY 18 -4.557 20.083 -6.306 129 H ALA 19 H ALA 19 -1.709 18.038 -6.801 130 HA ALA 19 HA ALA 19 -3.393 15.774 -7.684 131 HB1 ALA 19 HB1 ALA 19 -2.005 15.477 -9.699 132 HB2 ALA 19 HB2 ALA 19 -1.095 16.939 -9.303 133 HB3 ALA 19 HB3 ALA 19 -2.808 17.050 -9.708 134 H LEU 20 H LEU 20 -2.278 13.765 -7.745 135 HA LEU 20 HA LEU 20 -0.663 13.270 -5.476 136 HB2 LEU 20 HB2 LEU 20 -2.309 11.655 -6.447 137 HB3 LEU 20 HB3 LEU 20 -1.304 11.500 -7.874 138 HG LEU 20 HG LEU 20 0.545 10.619 -6.221 139 HD11 LEU 20 HD11 LEU 20 -1.892 10.153 -4.501 140 HD12 LEU 20 HD12 LEU 20 -0.574 11.274 -4.156 141 HD13 LEU 20 HD13 LEU 20 -0.262 9.541 -4.203 142 HD21 LEU 20 HD21 LEU 20 -0.267 8.317 -6.404 143 HD22 LEU 20 HD22 LEU 20 -0.542 9.206 -7.901 144 HD23 LEU 20 HD23 LEU 20 -1.887 8.903 -6.799 145 H MET 21 H MET 21 1.320 14.342 -5.644 146 HA MET 21 HA MET 21 3.253 13.216 -7.614 147 HB2 MET 21 HB2 MET 21 2.999 15.642 -7.967 148 HB3 MET 21 HB3 MET 21 3.239 15.957 -6.255 149 HG2 MET 21 HG2 MET 21 5.573 15.134 -6.454 150 HG3 MET 21 HG3 MET 21 5.318 14.886 -8.183 151 HE1 MET 21 HE1 MET 21 7.463 16.388 -8.737 152 HE2 MET 21 HE2 MET 21 7.740 16.629 -7.009 153 HE3 MET 21 HE3 MET 21 7.693 18.016 -8.099 154 H LEU 22 H LEU 22 3.974 11.462 -6.387 155 HA LEU 22 HA LEU 22 4.310 11.641 -3.536 156 HB2 LEU 22 HB2 LEU 22 5.088 9.472 -5.535 157 HB3 LEU 22 HB3 LEU 22 5.276 9.300 -3.794 158 HG LEU 22 HG LEU 22 2.609 9.694 -5.226 159 HD11 LEU 22 HD11 LEU 22 2.135 7.355 -4.688 160 HD12 LEU 22 HD12 LEU 22 3.764 7.163 -4.032 161 HD13 LEU 22 HD13 LEU 22 3.534 7.505 -5.748 162 HD21 LEU 22 HD21 LEU 22 3.175 9.067 -2.312 163 HD22 LEU 22 HD22 LEU 22 1.578 9.134 -3.069 164 HD23 LEU 22 HD23 LEU 22 2.559 10.590 -2.957 165 H VAL 23 H VAL 23 5.837 12.859 -2.781 166 HA VAL 23 HA VAL 23 8.359 13.396 -4.182 167 HB VAL 23 HB VAL 23 8.610 15.205 -2.458 168 HG11 VAL 23 HG11 VAL 23 5.944 15.249 -3.916 169 HG12 VAL 23 HG12 VAL 23 7.514 15.709 -4.583 170 HG13 VAL 23 HG13 VAL 23 6.800 16.656 -3.278 171 HG21 VAL 23 HG21 VAL 23 7.423 14.151 -0.574 172 HG22 VAL 23 HG22 VAL 23 5.887 14.278 -1.435 173 HG23 VAL 23 HG23 VAL 23 6.737 15.740 -0.922 174 HA PRO 24 HA PRO 24 10.879 11.018 -1.249 175 HB2 PRO 24 HB2 PRO 24 13.058 12.653 -0.757 176 HB3 PRO 24 HB3 PRO 24 12.833 11.766 -2.283 177 HG2 PRO 24 HG2 PRO 24 12.226 14.648 -1.673 178 HG3 PRO 24 HG3 PRO 24 13.011 13.946 -3.107 179 HD2 PRO 24 HD2 PRO 24 10.398 14.670 -3.125 180 HD3 PRO 24 HD3 PRO 24 10.987 13.281 -4.060 181 H ASN 25 H ASN 25 9.048 11.304 0.212 182 HA ASN 25 HA ASN 25 8.948 13.357 2.217 183 HB2 ASN 25 HB2 ASN 25 6.881 12.242 1.427 184 HB3 ASN 25 HB3 ASN 25 7.481 10.680 1.969 185 HD21 ASN 25 HD21 ASN 25 5.968 10.183 3.518 186 HD22 ASN 25 HD22 ASN 25 5.622 11.155 4.905 187 H ARG 26 H ARG 26 9.494 13.144 4.422 188 HA ARG 26 HA ARG 26 11.567 11.336 5.161 189 HB2 ARG 26 HB2 ARG 26 9.823 13.210 6.798 190 HB3 ARG 26 HB3 ARG 26 10.972 12.126 7.571 191 HG2 ARG 26 HG2 ARG 26 12.023 14.267 7.373 192 HG3 ARG 26 HG3 ARG 26 12.811 13.180 6.230 193 HD2 ARG 26 HD2 ARG 26 11.395 14.198 4.400 194 HD3 ARG 26 HD3 ARG 26 10.777 15.348 5.592 195 HE ARG 26 HE ARG 26 13.660 15.266 5.397 196 HH11 ARG 26 HH11 ARG 26 10.762 16.827 4.104 197 HH12 ARG 26 HH12 ARG 26 11.629 18.224 3.549 198 HH21 ARG 26 HH21 ARG 26 14.763 17.085 4.650 199 HH22 ARG 26 HH22 ARG 26 13.902 18.366 3.860 200 H GLN 27 H GLN 27 11.368 9.287 5.512 201 HA GLN 27 HA GLN 27 8.960 7.900 5.152 202 HB2 GLN 27 HB2 GLN 27 11.710 6.963 6.058 203 HB3 GLN 27 HB3 GLN 27 10.403 5.863 5.631 204 HG2 GLN 27 HG2 GLN 27 10.382 6.742 3.337 205 HG3 GLN 27 HG3 GLN 27 11.638 7.907 3.760 206 HE21 GLN 27 HE21 GLN 27 13.060 7.111 2.198 207 HE22 GLN 27 HE22 GLN 27 13.868 5.591 2.361 208 H LEU 28 H LEU 28 7.519 6.981 6.519 209 HA LEU 28 HA LEU 28 7.385 7.864 9.224 210 HB2 LEU 28 HB2 LEU 28 5.726 5.660 7.935 211 HB3 LEU 28 HB3 LEU 28 5.322 6.571 9.385 212 HG LEU 28 HG LEU 28 5.292 7.534 6.503 213 HD11 LEU 28 HD11 LEU 28 3.324 6.295 7.236 214 HD12 LEU 28 HD12 LEU 28 2.934 7.988 6.952 215 HD13 LEU 28 HD13 LEU 28 3.111 7.391 8.605 216 HD21 LEU 28 HD21 LEU 28 6.294 9.326 7.821 217 HD22 LEU 28 HD22 LEU 28 4.963 9.256 8.981 218 HD23 LEU 28 HD23 LEU 28 4.664 9.764 7.315 219 H THR 29 H THR 29 7.959 6.846 11.105 220 HA THR 29 HA THR 29 9.424 4.381 11.141 221 HB THR 29 HB THR 29 9.281 4.605 13.626 222 HG1 THR 29 HG1 THR 29 8.196 6.693 14.294 223 HG21 THR 29 HG21 THR 29 9.908 7.258 12.255 224 HG22 THR 29 HG22 THR 29 11.030 5.909 12.445 225 HG23 THR 29 HG23 THR 29 10.449 6.772 13.869 226 H ALA 30 H ALA 30 8.700 2.375 12.102 227 HA ALA 30 HA ALA 30 6.199 1.441 11.313 228 HB1 ALA 30 HB1 ALA 30 8.041 0.242 13.413 229 HB2 ALA 30 HB2 ALA 30 8.135 -0.034 11.671 230 HB3 ALA 30 HB3 ALA 30 6.729 -0.599 12.575 231 H ASP 31 H ASP 31 7.274 2.728 14.443 232 HA ASP 31 HA ASP 31 4.965 2.173 15.961 233 HB2 ASP 31 HB2 ASP 31 6.978 4.442 16.303 234 HB3 ASP 31 HB3 ASP 31 5.790 3.958 17.513 235 H TYR 32 H TYR 32 5.840 5.047 14.001 236 HA TYR 32 HA TYR 32 3.533 6.584 14.654 237 HB2 TYR 32 HB2 TYR 32 5.551 7.677 13.704 238 HB3 TYR 32 HB3 TYR 32 5.332 6.802 12.192 239 HD1 TYR 32 HD2 TYR 32 3.924 9.490 14.344 240 HD2 TYR 32 HD1 TYR 32 3.697 7.578 10.527 241 HE1 TYR 32 HE2 TYR 32 2.475 11.293 13.521 242 HE2 TYR 32 HE1 TYR 32 2.247 9.383 9.706 243 HH TYR 32 HH TYR 32 0.701 11.080 10.653 244 H PHE 33 H PHE 33 4.346 4.462 11.898 245 HA PHE 33 HA PHE 33 2.014 4.758 10.396 246 HB2 PHE 33 HB2 PHE 33 4.042 3.660 9.493 247 HB3 PHE 33 HB3 PHE 33 3.838 2.317 10.611 248 HD1 PHE 33 HD1 PHE 33 2.002 0.643 10.240 249 HD2 PHE 33 HD2 PHE 33 2.671 3.821 7.470 250 HE1 PHE 33 HE1 PHE 33 0.587 -0.492 8.597 251 HE2 PHE 33 HE2 PHE 33 1.247 2.668 5.832 252 HZ PHE 33 HZ PHE 33 0.196 0.519 6.391 253 H GLU 34 H GLU 34 2.839 2.491 13.007 254 HA GLU 34 HA GLU 34 0.554 0.837 12.896 255 HB2 GLU 34 HB2 GLU 34 2.651 0.215 14.082 256 HB3 GLU 34 HB3 GLU 34 2.372 1.485 15.263 257 HG2 GLU 34 HG2 GLU 34 1.792 -0.650 16.236 258 HG3 GLU 34 HG3 GLU 34 0.327 0.304 16.032 259 H LYS 35 H LYS 35 1.341 3.758 14.770 260 HA LYS 35 HA LYS 35 -0.995 3.918 16.323 261 HB2 LYS 35 HB2 LYS 35 1.088 5.229 16.790 262 HB3 LYS 35 HB3 LYS 35 0.783 6.205 15.360 263 HG2 LYS 35 HG2 LYS 35 0.101 7.422 17.365 264 HG3 LYS 35 HG3 LYS 35 -1.311 7.059 16.371 265 HD2 LYS 35 HD2 LYS 35 -1.827 6.696 18.736 266 HD3 LYS 35 HD3 LYS 35 -1.872 5.155 17.875 267 HE2 LYS 35 HE2 LYS 35 0.406 4.637 18.730 268 HE3 LYS 35 HE3 LYS 35 0.423 6.174 19.593 269 HZ1 LYS 35 HZ1 LYS 35 -0.151 4.403 21.076 270 HZ2 LYS 35 HZ2 LYS 35 -1.422 3.904 20.087 271 HZ3 LYS 35 HZ3 LYS 35 -1.502 5.399 20.870 272 H THR 36 H THR 36 -0.151 5.430 13.183 273 HA THR 36 HA THR 36 -2.531 6.990 12.990 274 HB THR 36 HB THR 36 -0.531 6.336 10.771 275 HG1 THR 36 HG1 THR 36 0.235 7.367 12.853 276 HG21 THR 36 HG21 THR 36 -1.270 8.504 9.803 277 HG22 THR 36 HG22 THR 36 -2.470 8.665 11.086 278 HG23 THR 36 HG23 THR 36 -2.612 7.360 9.908 279 H TRP 37 H TRP 37 -1.530 3.838 11.758 280 HA TRP 37 HA TRP 37 -3.599 3.283 9.953 281 HB2 TRP 37 HB2 TRP 37 -1.546 1.894 10.105 282 HB3 TRP 37 HB3 TRP 37 -1.989 1.374 11.725 283 HD1 TRP 37 HD1 TRP 37 -3.764 -0.605 11.926 284 HE1 TRP 37 HE1 TRP 37 -4.848 -2.197 10.226 285 HE3 TRP 37 HE3 TRP 37 -2.368 1.738 7.610 286 HZ2 TRP 37 HZ2 TRP 37 -5.089 -2.432 7.430 287 HZ3 TRP 37 HZ3 TRP 37 -3.074 0.773 5.460 288 HH2 TRP 37 HH2 TRP 37 -4.405 -1.271 5.369 289 H LEU 38 H LEU 38 -3.268 2.494 13.447 290 HA LEU 38 HA LEU 38 -5.909 1.437 13.708 291 HB2 LEU 38 HB2 LEU 38 -3.963 2.368 15.853 292 HB3 LEU 38 HB3 LEU 38 -5.413 1.417 16.148 293 HG LEU 38 HG LEU 38 -2.937 0.510 14.618 294 HD11 LEU 38 HD11 LEU 38 -2.590 0.582 17.031 295 HD12 LEU 38 HD12 LEU 38 -2.597 -1.076 16.434 296 HD13 LEU 38 HD13 LEU 38 -4.008 -0.439 17.288 297 HD21 LEU 38 HD21 LEU 38 -4.908 -0.481 13.587 298 HD22 LEU 38 HD22 LEU 38 -5.478 -1.060 15.155 299 HD23 LEU 38 HD23 LEU 38 -3.986 -1.703 14.459 300 H SER 39 H SER 39 -4.560 4.649 13.938 301 HA SER 39 HA SER 39 -6.662 5.963 15.343 302 HB2 SER 39 HB2 SER 39 -4.551 7.068 13.432 303 HB3 SER 39 HB3 SER 39 -5.630 8.072 14.408 304 HG SER 39 HG SER 39 -4.157 6.100 15.708 305 H LEU 40 H LEU 40 -6.312 4.935 12.006 306 HA LEU 40 HA LEU 40 -8.645 6.562 11.171 307 HB2 LEU 40 HB2 LEU 40 -6.380 5.357 9.515 308 HB3 LEU 40 HB3 LEU 40 -7.752 6.232 8.845 309 HG LEU 40 HG LEU 40 -5.676 7.457 10.717 310 HD11 LEU 40 HD11 LEU 40 -4.656 6.842 8.598 311 HD12 LEU 40 HD12 LEU 40 -4.771 8.590 8.757 312 HD13 LEU 40 HD13 LEU 40 -5.900 7.722 7.711 313 HD21 LEU 40 HD21 LEU 40 -6.645 9.618 10.056 314 HD22 LEU 40 HD22 LEU 40 -7.839 8.596 10.849 315 HD23 LEU 40 HD23 LEU 40 -7.875 8.787 9.094 316 H LYS 41 H LYS 41 -10.086 5.502 9.689 317 HA LYS 41 HA LYS 41 -10.377 2.581 10.042 318 HB2 LYS 41 HB2 LYS 41 -12.818 3.035 9.349 319 HB3 LYS 41 HB3 LYS 41 -12.330 3.639 10.922 320 HG2 LYS 41 HG2 LYS 41 -13.613 5.395 10.069 321 HG3 LYS 41 HG3 LYS 41 -11.958 5.912 9.753 322 HD2 LYS 41 HD2 LYS 41 -12.217 5.100 7.384 323 HD3 LYS 41 HD3 LYS 41 -13.910 4.730 7.730 324 HE2 LYS 41 HE2 LYS 41 -14.297 7.131 8.251 325 HE3 LYS 41 HE3 LYS 41 -12.608 7.472 7.868 326 HZ1 LYS 41 HZ1 LYS 41 -14.609 6.375 5.970 327 HZ2 LYS 41 HZ2 LYS 41 -12.999 6.750 5.609 328 HZ3 LYS 41 HZ3 LYS 41 -14.084 7.977 6.022 329 H VAL 42 H VAL 42 -10.980 1.337 8.169 330 HA VAL 42 HA VAL 42 -9.481 1.794 5.857 331 HB VAL 42 HB VAL 42 -11.950 0.008 6.120 332 HG11 VAL 42 HG11 VAL 42 -11.001 -1.295 4.238 333 HG12 VAL 42 HG12 VAL 42 -9.692 -0.121 4.080 334 HG13 VAL 42 HG13 VAL 42 -11.359 0.366 3.757 335 HG21 VAL 42 HG21 VAL 42 -9.020 -0.681 6.588 336 HG22 VAL 42 HG22 VAL 42 -10.368 -1.820 6.646 337 HG23 VAL 42 HG23 VAL 42 -10.258 -0.522 7.835 338 H ALA 43 H ALA 43 -9.763 3.186 4.257 339 HA ALA 43 HA ALA 43 -12.228 4.705 3.881 340 HB1 ALA 43 HB1 ALA 43 -9.570 4.882 2.409 341 HB2 ALA 43 HB2 ALA 43 -10.052 5.861 3.795 342 HB3 ALA 43 HB3 ALA 43 -10.912 6.025 2.263 343 H HIS 44 H HIS 44 -10.180 2.535 1.964 344 HA HIS 44 HA HIS 44 -12.470 1.644 0.350 345 HB2 HIS 44 HB2 HIS 44 -11.341 3.466 -0.925 346 HB3 HIS 44 HB3 HIS 44 -9.808 2.612 -0.804 347 HD2 HIS 44 HD2 HIS 44 -9.607 0.294 -2.446 348 HE1 HIS 44 HE1 HIS 44 -12.970 1.304 -4.767 349 HE2 HIS 44 HE2 HIS 44 -10.831 -0.022 -4.679 350 H GLN 45 H GLN 45 -12.241 -0.500 -0.362 351 HA GLN 45 HA GLN 45 -9.773 -1.971 0.049 352 HB2 GLN 45 HB2 GLN 45 -11.056 -1.928 2.288 353 HB3 GLN 45 HB3 GLN 45 -12.275 -2.923 1.505 354 HG2 GLN 45 HG2 GLN 45 -10.548 -4.666 1.091 355 HG3 GLN 45 HG3 GLN 45 -9.359 -3.657 1.911 356 HE21 GLN 45 HE21 GLN 45 -8.931 -5.111 3.548 357 HE22 GLN 45 HE22 GLN 45 -10.082 -5.556 4.758 358 H GLN 46 H GLN 46 -9.577 -3.385 -1.573 359 HA GLN 46 HA GLN 46 -11.873 -4.672 -2.856 360 HB2 GLN 46 HB2 GLN 46 -9.950 -2.844 -4.361 361 HB3 GLN 46 HB3 GLN 46 -10.841 -4.117 -5.184 362 HG2 GLN 46 HG2 GLN 46 -12.155 -1.868 -3.642 363 HG3 GLN 46 HG3 GLN 46 -11.824 -1.818 -5.367 364 HE21 GLN 46 HE21 GLN 46 -14.050 -1.544 -5.808 365 HE22 GLN 46 HE22 GLN 46 -15.173 -2.854 -5.701 366 H VAL 47 H VAL 47 -11.397 -6.691 -3.438 367 HA VAL 47 HA VAL 47 -8.634 -7.709 -3.187 368 HB VAL 47 HB VAL 47 -11.195 -9.355 -3.513 369 HG11 VAL 47 HG11 VAL 47 -8.452 -10.158 -2.475 370 HG12 VAL 47 HG12 VAL 47 -9.121 -10.567 -4.056 371 HG13 VAL 47 HG13 VAL 47 -9.863 -11.216 -2.593 372 HG21 VAL 47 HG21 VAL 47 -11.409 -7.997 -1.463 373 HG22 VAL 47 HG22 VAL 47 -9.852 -8.600 -0.889 374 HG23 VAL 47 HG23 VAL 47 -11.215 -9.708 -1.070 375 H LEU 48 H LEU 48 -7.546 -8.401 -4.991 376 HA LEU 48 HA LEU 48 -8.937 -8.440 -7.601 377 HB2 LEU 48 HB2 LEU 48 -6.209 -7.285 -6.902 378 HB3 LEU 48 HB3 LEU 48 -6.626 -7.735 -8.545 379 HG LEU 48 HG LEU 48 -8.662 -6.103 -8.255 380 HD11 LEU 48 HD11 LEU 48 -8.327 -4.231 -6.734 381 HD12 LEU 48 HD12 LEU 48 -6.905 -5.022 -6.051 382 HD13 LEU 48 HD13 LEU 48 -8.499 -5.751 -5.863 383 HD21 LEU 48 HD21 LEU 48 -7.350 -4.199 -9.050 384 HD22 LEU 48 HD22 LEU 48 -6.814 -5.705 -9.801 385 HD23 LEU 48 HD23 LEU 48 -5.860 -4.979 -8.502 386 HA PRO 49 HA PRO 49 -7.205 -12.569 -8.043 387 HB2 PRO 49 HB2 PRO 49 -7.183 -12.848 -10.778 388 HB3 PRO 49 HB3 PRO 49 -8.693 -12.823 -9.841 389 HG2 PRO 49 HG2 PRO 49 -7.404 -10.582 -11.387 390 HG3 PRO 49 HG3 PRO 49 -9.114 -11.077 -11.343 391 HD2 PRO 49 HD2 PRO 49 -8.158 -8.985 -9.874 392 HD3 PRO 49 HD3 PRO 49 -9.510 -9.993 -9.322 393 H TRP 50 H TRP 50 -5.055 -12.557 -7.310 394 HA TRP 50 HA TRP 50 -2.889 -11.342 -8.699 395 HB2 TRP 50 HB2 TRP 50 -2.600 -11.933 -6.327 396 HB3 TRP 50 HB3 TRP 50 -2.809 -13.646 -6.698 397 HD1 TRP 50 HD1 TRP 50 -0.619 -14.976 -7.393 398 HE1 TRP 50 HE1 TRP 50 1.793 -14.324 -7.981 399 HE3 TRP 50 HE3 TRP 50 -1.081 -9.876 -7.308 400 HZ2 TRP 50 HZ2 TRP 50 3.318 -11.979 -8.325 401 HZ3 TRP 50 HZ3 TRP 50 0.916 -8.513 -7.762 402 HH2 TRP 50 HH2 TRP 50 3.064 -9.531 -8.258 403 H ARG 51 H ARG 51 -2.011 -11.948 -10.564 404 HA ARG 51 HA ARG 51 -2.582 -14.629 -11.682 405 HB2 ARG 51 HB2 ARG 51 -2.214 -11.925 -13.037 406 HB3 ARG 51 HB3 ARG 51 -2.323 -13.450 -13.917 407 HG2 ARG 51 HG2 ARG 51 -4.590 -13.814 -12.982 408 HG3 ARG 51 HG3 ARG 51 -4.477 -12.275 -12.126 409 HD2 ARG 51 HD2 ARG 51 -4.489 -11.033 -14.182 410 HD3 ARG 51 HD3 ARG 51 -4.271 -12.501 -15.145 411 HE ARG 51 HE ARG 51 -6.509 -13.172 -14.541 412 HH11 ARG 51 HH11 ARG 51 -5.791 -9.783 -13.864 413 HH12 ARG 51 HH12 ARG 51 -7.465 -9.326 -13.844 414 HH21 ARG 51 HH21 ARG 51 -8.667 -12.560 -14.477 415 HH22 ARG 51 HH22 ARG 51 -9.095 -10.902 -14.191 416 H GLY 52 H GLY 52 -0.907 -15.917 -11.870 417 HA2 GLY 52 HA2 GLY 52 1.170 -16.594 -12.711 418 HA3 GLY 52 HA3 GLY 52 1.730 -14.928 -12.697 419 H GLU 53 H GLU 53 3.603 -16.111 -11.777 420 HA GLU 53 HA GLU 53 3.538 -17.240 -9.137 421 HB2 GLU 53 HB2 GLU 53 5.916 -16.229 -10.777 422 HB3 GLU 53 HB3 GLU 53 5.994 -17.333 -9.401 423 HG2 GLU 53 HG2 GLU 53 4.887 -19.081 -10.649 424 HG3 GLU 53 HG3 GLU 53 4.522 -17.980 -11.974 425 H PHE 54 H PHE 54 3.988 -16.244 -7.187 426 HA PHE 54 HA PHE 54 3.727 -13.362 -7.125 427 HB2 PHE 54 HB2 PHE 54 2.401 -14.653 -5.533 428 HB3 PHE 54 HB3 PHE 54 3.858 -15.369 -4.842 429 HD1 PHE 54 HD2 PHE 54 2.678 -11.890 -5.679 430 HD2 PHE 54 HD1 PHE 54 4.414 -14.475 -2.738 431 HE1 PHE 54 HE2 PHE 54 2.838 -10.007 -4.126 432 HE2 PHE 54 HE1 PHE 54 4.559 -12.573 -1.196 433 HZ PHE 54 HZ PHE 54 3.779 -10.354 -1.900 434 H HIS 55 H HIS 55 5.363 -11.996 -7.111 435 HA HIS 55 HA HIS 55 7.958 -12.790 -5.918 436 HB2 HIS 55 HB2 HIS 55 7.501 -11.039 -8.373 437 HB3 HIS 55 HB3 HIS 55 9.069 -11.350 -7.629 438 HD1 HIS 55 HD1 HIS 55 10.064 -13.758 -7.925 439 HD2 HIS 55 HD2 HIS 55 6.520 -13.121 -9.983 440 HE1 HIS 55 HE1 HIS 55 9.870 -15.666 -9.545 441 HE2 HIS 55 HE2 HIS 55 7.810 -15.159 -10.890 442 HA PRO 56 HA PRO 56 6.646 -9.085 -3.467 443 HB2 PRO 56 HB2 PRO 56 7.740 -9.844 -1.096 444 HB3 PRO 56 HB3 PRO 56 6.211 -10.546 -1.682 445 HG2 PRO 56 HG2 PRO 56 8.989 -11.700 -1.839 446 HG3 PRO 56 HG3 PRO 56 7.470 -12.490 -1.350 447 HD2 PRO 56 HD2 PRO 56 8.521 -12.747 -3.868 448 HD3 PRO 56 HD3 PRO 56 6.777 -12.823 -3.543 449 H ASP 57 H ASP 57 9.707 -10.548 -4.088 450 HA ASP 57 HA ASP 57 11.507 -8.523 -3.239 451 HB2 ASP 57 HB2 ASP 57 11.832 -10.425 -5.621 452 HB3 ASP 57 HB3 ASP 57 13.128 -9.610 -4.741 453 H THR 58 H THR 58 9.999 -9.255 -6.344 454 HA THR 58 HA THR 58 10.877 -7.015 -7.836 455 HB THR 58 HB THR 58 8.451 -8.811 -8.326 456 HG1 THR 58 HG1 THR 58 10.543 -9.481 -9.839 457 HG21 THR 58 HG21 THR 58 10.091 -7.156 -10.301 458 HG22 THR 58 HG22 THR 58 8.435 -6.802 -9.793 459 HG23 THR 58 HG23 THR 58 8.787 -8.261 -10.726 460 H LEU 59 H LEU 59 7.975 -7.741 -5.920 461 HA LEU 59 HA LEU 59 6.432 -5.477 -6.577 462 HB2 LEU 59 HB2 LEU 59 5.510 -7.514 -5.491 463 HB3 LEU 59 HB3 LEU 59 6.392 -7.128 -4.027 464 HG LEU 59 HG LEU 59 5.014 -5.070 -3.729 465 HD11 LEU 59 HD11 LEU 59 3.017 -4.670 -5.078 466 HD12 LEU 59 HD12 LEU 59 3.457 -5.998 -6.157 467 HD13 LEU 59 HD13 LEU 59 4.481 -4.562 -6.052 468 HD21 LEU 59 HD21 LEU 59 3.365 -7.598 -4.032 469 HD22 LEU 59 HD22 LEU 59 2.915 -6.169 -3.096 470 HD23 LEU 59 HD23 LEU 59 4.313 -7.128 -2.618 471 H GLN 60 H GLN 60 8.623 -6.076 -3.800 472 HA GLN 60 HA GLN 60 8.233 -3.642 -2.459 473 HB2 GLN 60 HB2 GLN 60 9.286 -5.607 -1.381 474 HB3 GLN 60 HB3 GLN 60 10.688 -5.447 -2.436 475 HG2 GLN 60 HG2 GLN 60 11.184 -3.238 -1.438 476 HG3 GLN 60 HG3 GLN 60 9.796 -3.411 -0.368 477 HE21 GLN 60 HE21 GLN 60 12.674 -3.072 0.237 478 HE22 GLN 60 HE22 GLN 60 13.086 -4.403 1.262 479 H MET 61 H MET 61 10.826 -4.602 -4.771 480 HA MET 61 HA MET 61 12.200 -2.134 -4.720 481 HB2 MET 61 HB2 MET 61 12.180 -4.356 -6.787 482 HB3 MET 61 HB3 MET 61 13.201 -2.933 -6.938 483 HG2 MET 61 HG2 MET 61 14.320 -3.510 -4.823 484 HG3 MET 61 HG3 MET 61 13.302 -4.944 -4.681 485 HE1 MET 61 HE1 MET 61 16.158 -3.188 -6.848 486 HE2 MET 61 HE2 MET 61 14.888 -3.471 -8.039 487 HE3 MET 61 HE3 MET 61 16.393 -4.399 -8.097 488 H ALA 62 H ALA 62 9.497 -3.276 -6.716 489 HA ALA 62 HA ALA 62 9.483 -1.160 -8.626 490 HB1 ALA 62 HB1 ALA 62 7.206 -2.959 -7.718 491 HB2 ALA 62 HB2 ALA 62 8.334 -3.297 -9.033 492 HB3 ALA 62 HB3 ALA 62 7.205 -1.946 -9.168 493 H LEU 63 H LEU 63 7.851 -1.689 -5.522 494 HA LEU 63 HA LEU 63 6.267 0.607 -5.342 495 HB2 LEU 63 HB2 LEU 63 7.615 -1.033 -3.165 496 HB3 LEU 63 HB3 LEU 63 6.444 0.232 -2.822 497 HG LEU 63 HG LEU 63 5.804 -2.209 -4.521 498 HD11 LEU 63 HD11 LEU 63 5.256 -1.835 -1.572 499 HD12 LEU 63 HD12 LEU 63 6.396 -2.973 -2.297 500 HD13 LEU 63 HD13 LEU 63 4.667 -3.161 -2.581 501 HD21 LEU 63 HD21 LEU 63 3.463 -1.611 -4.117 502 HD22 LEU 63 HD22 LEU 63 4.326 -0.313 -4.938 503 HD23 LEU 63 HD23 LEU 63 3.969 -0.182 -3.211 504 H GLN 64 H GLN 64 9.630 0.057 -4.232 505 HA GLN 64 HA GLN 64 10.295 2.570 -3.272 506 HB2 GLN 64 HB2 GLN 64 12.078 0.630 -4.801 507 HB3 GLN 64 HB3 GLN 64 12.662 1.970 -3.814 508 HG2 GLN 64 HG2 GLN 64 11.823 0.945 -1.801 509 HG3 GLN 64 HG3 GLN 64 10.988 -0.305 -2.723 510 HE21 GLN 64 HE21 GLN 64 12.059 -2.002 -1.709 511 HE22 GLN 64 HE22 GLN 64 13.733 -2.348 -1.962 512 H VAL 65 H VAL 65 10.342 1.446 -6.706 513 HA VAL 65 HA VAL 65 11.538 3.803 -7.792 514 HB VAL 65 HB VAL 65 9.869 1.658 -9.202 515 HG11 VAL 65 HG11 VAL 65 10.991 2.378 -11.295 516 HG12 VAL 65 HG12 VAL 65 11.795 3.681 -10.418 517 HG13 VAL 65 HG13 VAL 65 10.040 3.691 -10.598 518 HG21 VAL 65 HG21 VAL 65 12.033 0.634 -9.817 519 HG22 VAL 65 HG22 VAL 65 11.844 0.712 -8.065 520 HG23 VAL 65 HG23 VAL 65 12.887 1.871 -8.886 521 H VAL 66 H VAL 66 8.228 2.930 -6.994 522 HA VAL 66 HA VAL 66 7.188 5.424 -8.227 523 HB VAL 66 HB VAL 66 4.909 4.521 -7.906 524 HG11 VAL 66 HG11 VAL 66 6.066 4.056 -10.025 525 HG12 VAL 66 HG12 VAL 66 4.987 2.727 -9.595 526 HG13 VAL 66 HG13 VAL 66 6.729 2.563 -9.354 527 HG21 VAL 66 HG21 VAL 66 5.338 3.129 -5.893 528 HG22 VAL 66 HG22 VAL 66 6.220 1.972 -6.888 529 HG23 VAL 66 HG23 VAL 66 4.494 2.230 -7.152 530 H ASN 67 H ASN 67 8.744 4.883 -5.609 531 HA ASN 67 HA ASN 67 9.081 6.045 -3.712 532 HB2 ASN 67 HB2 ASN 67 8.536 7.932 -5.347 533 HB3 ASN 67 HB3 ASN 67 6.907 7.940 -4.694 534 HD21 ASN 67 HD21 ASN 67 10.283 8.625 -4.003 535 HD22 ASN 67 HD22 ASN 67 9.985 9.664 -2.656 536 H ILE 68 H ILE 68 6.939 3.954 -3.767 537 HA ILE 68 HA ILE 68 5.298 4.621 -1.442 538 HB ILE 68 HB ILE 68 5.514 1.948 -2.917 539 HG12 ILE 68 HG12 ILE 68 4.629 3.697 -4.428 540 HG13 ILE 68 HG13 ILE 68 3.393 2.505 -4.048 541 HG21 ILE 68 HG21 ILE 68 3.450 2.898 -0.894 542 HG22 ILE 68 HG22 ILE 68 4.691 1.672 -0.626 543 HG23 ILE 68 HG23 ILE 68 3.391 1.368 -1.777 544 HD11 ILE 68 HD11 ILE 68 3.646 5.268 -2.879 545 HD12 ILE 68 HD12 ILE 68 2.406 4.086 -2.446 546 HD13 ILE 68 HD13 ILE 68 2.484 4.727 -4.087 547 H GLN 69 H GLN 69 6.329 4.504 0.455 548 HA GLN 69 HA GLN 69 8.647 2.968 1.069 549 HB2 GLN 69 HB2 GLN 69 8.141 4.988 2.327 550 HB3 GLN 69 HB3 GLN 69 6.554 4.378 2.783 551 HG2 GLN 69 HG2 GLN 69 7.663 2.609 4.149 552 HG3 GLN 69 HG3 GLN 69 9.228 3.307 3.729 553 HE21 GLN 69 HE21 GLN 69 9.616 3.607 5.962 554 HE22 GLN 69 HE22 GLN 69 8.877 4.899 6.834 555 H THR 70 H THR 70 8.755 0.837 1.695 556 HA THR 70 HA THR 70 6.261 -0.645 2.287 557 HB THR 70 HB THR 70 9.039 -1.778 1.694 558 HG1 THR 70 HG1 THR 70 7.748 -0.602 -0.047 559 HG21 THR 70 HG21 THR 70 7.848 -3.923 1.343 560 HG22 THR 70 HG22 THR 70 6.324 -3.162 1.802 561 HG23 THR 70 HG23 THR 70 7.613 -3.346 2.996 562 H ILE 71 H ILE 71 5.787 -0.468 4.417 563 HA ILE 71 HA ILE 71 7.701 0.019 6.512 564 HB ILE 71 HB ILE 71 4.712 -0.654 6.638 565 HG12 ILE 71 HG12 ILE 71 5.391 1.531 5.453 566 HG13 ILE 71 HG13 ILE 71 4.229 1.681 6.758 567 HG21 ILE 71 HG21 ILE 71 4.725 0.265 8.956 568 HG22 ILE 71 HG22 ILE 71 6.485 0.398 8.881 569 HG23 ILE 71 HG23 ILE 71 5.717 -1.187 8.803 570 HD11 ILE 71 HD11 ILE 71 7.169 2.302 6.948 571 HD12 ILE 71 HD12 ILE 71 5.978 2.496 8.241 572 HD13 ILE 71 HD13 ILE 71 5.857 3.465 6.774 573 H ALA 72 H ALA 72 5.542 -2.692 5.617 574 HA ALA 72 HA ALA 72 7.453 -4.648 6.696 575 HB1 ALA 72 HB1 ALA 72 4.466 -4.678 7.305 576 HB2 ALA 72 HB2 ALA 72 5.752 -4.327 8.463 577 HB3 ALA 72 HB3 ALA 72 5.625 -5.937 7.750 578 H MET 73 H MET 73 7.351 -6.660 5.662 579 HA MET 73 HA MET 73 5.293 -7.374 3.773 580 HB2 MET 73 HB2 MET 73 6.757 -6.000 2.308 581 HB3 MET 73 HB3 MET 73 8.159 -6.949 2.782 582 HG2 MET 73 HG2 MET 73 7.360 -8.879 1.597 583 HG3 MET 73 HG3 MET 73 5.773 -8.155 1.352 584 HE1 MET 73 HE1 MET 73 6.511 -5.427 -1.381 585 HE2 MET 73 HE2 MET 73 6.357 -5.208 0.360 586 HE3 MET 73 HE3 MET 73 5.246 -6.280 -0.493 587 H SER 74 H SER 74 5.013 -9.563 3.922 588 HA SER 74 HA SER 74 6.748 -11.153 5.614 589 HB2 SER 74 HB2 SER 74 4.276 -12.014 4.047 590 HB3 SER 74 HB3 SER 74 5.035 -12.890 5.375 591 HG SER 74 HG SER 74 4.053 -10.252 5.689 592 H ARG 75 H ARG 75 7.179 -13.525 4.724 593 HA ARG 75 HA ARG 75 9.075 -13.092 2.567 594 HB2 ARG 75 HB2 ARG 75 8.578 -15.451 4.412 595 HB3 ARG 75 HB3 ARG 75 9.641 -15.593 3.025 596 HG2 ARG 75 HG2 ARG 75 11.167 -15.169 4.696 597 HG3 ARG 75 HG3 ARG 75 10.904 -13.543 4.077 598 HD2 ARG 75 HD2 ARG 75 9.407 -14.627 6.475 599 HD3 ARG 75 HD3 ARG 75 10.990 -13.874 6.621 600 HE ARG 75 HE ARG 75 9.389 -12.077 5.244 601 HH11 ARG 75 HH11 ARG 75 9.405 -13.584 8.448 602 HH12 ARG 75 HH12 ARG 75 8.633 -12.233 9.216 603 HH21 ARG 75 HH21 ARG 75 8.405 -10.287 6.313 604 HH22 ARG 75 HH22 ARG 75 8.067 -10.385 8.014 605 H ALA 76 H ALA 76 9.275 -14.390 0.697 606 HA ALA 76 HA ALA 76 6.932 -15.081 -0.748 607 HB1 ALA 76 HB1 ALA 76 8.520 -16.016 -2.411 608 HB2 ALA 76 HB2 ALA 76 9.835 -15.868 -1.244 609 HB3 ALA 76 HB3 ALA 76 9.039 -14.420 -1.860 610 H GLY 77 H GLY 77 5.773 -16.941 -0.656 611 HA2 GLY 77 HA2 GLY 77 5.469 -19.281 -0.522 612 HA3 GLY 77 HA3 GLY 77 6.944 -19.436 0.411 613 H SER 78 H SER 78 5.854 -17.007 2.134 614 HA SER 78 HA SER 78 4.232 -18.700 3.932 615 HB2 SER 78 HB2 SER 78 4.505 -16.812 5.569 616 HB3 SER 78 HB3 SER 78 6.046 -17.459 5.016 617 HG SER 78 HG SER 78 5.062 -15.347 3.524 618 H ARG 79 H ARG 79 2.106 -18.698 3.667 619 HA ARG 79 HA ARG 79 0.668 -16.208 3.040 620 HB2 ARG 79 HB2 ARG 79 0.106 -18.865 1.646 621 HB3 ARG 79 HB3 ARG 79 -0.893 -17.419 1.522 622 HG2 ARG 79 HG2 ARG 79 1.016 -16.216 0.464 623 HG3 ARG 79 HG3 ARG 79 1.965 -17.704 0.529 624 HD2 ARG 79 HD2 ARG 79 0.132 -18.794 -0.860 625 HD3 ARG 79 HD3 ARG 79 -0.566 -17.183 -1.057 626 HE ARG 79 HE ARG 79 2.189 -17.290 -1.831 627 HH11 ARG 79 HH11 ARG 79 -1.089 -17.936 -2.966 628 HH12 ARG 79 HH12 ARG 79 -0.665 -17.806 -4.639 629 HH21 ARG 79 HH21 ARG 79 2.737 -17.182 -4.038 630 HH22 ARG 79 HH22 ARG 79 1.516 -17.379 -5.244 631 HA PRO 80 HA PRO 80 -1.910 -15.619 2.953 632 HB2 PRO 80 HB2 PRO 80 -3.032 -14.045 4.938 633 HB3 PRO 80 HB3 PRO 80 -3.871 -15.414 4.174 634 HG2 PRO 80 HG2 PRO 80 -2.364 -15.359 6.778 635 HG3 PRO 80 HG3 PRO 80 -3.970 -16.044 6.426 636 HD2 PRO 80 HD2 PRO 80 -1.818 -17.637 6.534 637 HD3 PRO 80 HD3 PRO 80 -3.088 -17.919 5.325 638 H TRP 81 H TRP 81 -0.252 -14.517 2.248 639 HA TRP 81 HA TRP 81 1.906 -13.416 3.712 640 HB2 TRP 81 HB2 TRP 81 2.214 -14.039 1.393 641 HB3 TRP 81 HB3 TRP 81 0.873 -13.031 0.866 642 HD1 TRP 81 HD1 TRP 81 4.546 -12.725 2.044 643 HE1 TRP 81 HE1 TRP 81 5.453 -10.455 1.254 644 HE3 TRP 81 HE3 TRP 81 0.242 -10.763 0.159 645 HZ2 TRP 81 HZ2 TRP 81 4.471 -8.139 -0.042 646 HZ3 TRP 81 HZ3 TRP 81 0.301 -8.539 -0.862 647 HH2 TRP 81 HH2 TRP 81 2.371 -7.247 -0.961 648 H LYS 82 H LYS 82 2.057 -11.434 4.746 649 HA LYS 82 HA LYS 82 -0.060 -9.406 4.323 650 HB2 LYS 82 HB2 LYS 82 0.174 -10.420 6.609 651 HB3 LYS 82 HB3 LYS 82 1.835 -9.856 6.675 652 HG2 LYS 82 HG2 LYS 82 0.501 -8.355 7.983 653 HG3 LYS 82 HG3 LYS 82 0.989 -7.498 6.520 654 HD2 LYS 82 HD2 LYS 82 -1.348 -7.020 7.055 655 HD3 LYS 82 HD3 LYS 82 -1.244 -7.904 5.530 656 HE2 LYS 82 HE2 LYS 82 -1.939 -9.969 6.638 657 HE3 LYS 82 HE3 LYS 82 -1.889 -9.183 8.218 658 HZ1 LYS 82 HZ1 LYS 82 -3.691 -7.740 7.534 659 HZ2 LYS 82 HZ2 LYS 82 -4.148 -9.355 7.365 660 HZ3 LYS 82 HZ3 LYS 82 -3.733 -8.448 6.000 661 H ALA 83 H ALA 83 0.567 -7.249 3.886 662 HA ALA 83 HA ALA 83 3.322 -6.409 4.374 663 HB1 ALA 83 HB1 ALA 83 3.507 -5.269 2.194 664 HB2 ALA 83 HB2 ALA 83 1.961 -5.964 1.691 665 HB3 ALA 83 HB3 ALA 83 3.344 -7.015 1.989 666 H TYR 84 H TYR 84 3.458 -4.289 4.956 667 HA TYR 84 HA TYR 84 1.056 -2.575 4.817 668 HB2 TYR 84 HB2 TYR 84 3.143 -2.881 7.013 669 HB3 TYR 84 HB3 TYR 84 2.143 -1.433 6.891 670 HD1 TYR 84 HD1 TYR 84 -0.421 -1.750 6.847 671 HD2 TYR 84 HD2 TYR 84 2.270 -4.812 8.131 672 HE1 TYR 84 HE1 TYR 84 -2.265 -2.885 7.990 673 HE2 TYR 84 HE2 TYR 84 0.418 -5.946 9.278 674 HH TYR 84 HH TYR 84 -2.841 -5.143 8.746 675 H LEU 85 H LEU 85 1.285 -0.851 3.629 676 HA LEU 85 HA LEU 85 3.947 0.164 2.815 677 HB2 LEU 85 HB2 LEU 85 1.352 0.287 1.229 678 HB3 LEU 85 HB3 LEU 85 2.948 0.760 0.670 679 HG LEU 85 HG LEU 85 1.955 -2.071 1.188 680 HD11 LEU 85 HD11 LEU 85 1.097 -1.122 -0.872 681 HD12 LEU 85 HD12 LEU 85 2.293 -2.361 -1.238 682 HD13 LEU 85 HD13 LEU 85 2.723 -0.655 -1.383 683 HD21 LEU 85 HD21 LEU 85 4.145 -2.839 0.349 684 HD22 LEU 85 HD22 LEU 85 4.287 -1.949 1.860 685 HD23 LEU 85 HD23 LEU 85 4.726 -1.170 0.338 686 H SER 86 H SER 86 4.121 2.471 2.590 687 HA SER 86 HA SER 86 1.805 4.122 3.271 688 HB2 SER 86 HB2 SER 86 3.137 3.821 5.379 689 HB3 SER 86 HB3 SER 86 4.530 4.546 4.573 690 HG SER 86 HG SER 86 1.993 5.787 4.884 691 H ALA 87 H ALA 87 1.846 6.180 2.381 692 HA ALA 87 HA ALA 87 4.164 7.114 0.862 693 HB1 ALA 87 HB1 ALA 87 2.820 5.838 -0.775 694 HB2 ALA 87 HB2 ALA 87 2.804 7.563 -1.145 695 HB3 ALA 87 HB3 ALA 87 1.403 6.810 -0.378 696 H GLN 88 H GLN 88 3.927 9.388 0.274 697 HA GLN 88 HA GLN 88 1.640 10.909 1.143 698 HB2 GLN 88 HB2 GLN 88 3.080 10.938 3.171 699 HB3 GLN 88 HB3 GLN 88 4.423 11.544 2.213 700 HG2 GLN 88 HG2 GLN 88 3.147 13.623 1.755 701 HG3 GLN 88 HG3 GLN 88 1.819 13.015 2.747 702 HE21 GLN 88 HE21 GLN 88 3.509 15.416 3.064 703 HE22 GLN 88 HE22 GLN 88 4.181 15.296 4.651 704 H ASP 89 H ASP 89 1.260 12.452 -0.362 705 HA ASP 89 HA ASP 89 3.257 12.796 -2.508 706 HB2 ASP 89 HB2 ASP 89 1.512 13.121 -3.995 707 HB3 ASP 89 HB3 ASP 89 0.687 12.109 -2.820 708 H ASP 90 H ASP 90 2.734 15.230 -3.548 709 HA ASP 90 HA ASP 90 4.242 16.895 -1.788 710 HB2 ASP 90 HB2 ASP 90 4.492 16.812 -4.301 711 HB3 ASP 90 HB3 ASP 90 2.958 17.656 -4.448 712 H THR 91 H THR 91 0.848 16.627 -2.484 713 HA THR 91 HA THR 91 0.166 19.236 -1.331 714 HB THR 91 HB THR 91 -2.139 18.766 -1.837 715 HG1 THR 91 HG1 THR 91 -1.478 16.140 -2.680 716 HG21 THR 91 HG21 THR 91 -2.080 18.290 -4.267 717 HG22 THR 91 HG22 THR 91 -0.418 17.721 -4.110 718 HG23 THR 91 HG23 THR 91 -0.802 19.416 -3.797 719 H GLY 92 H GLY 92 0.929 16.166 -0.188 720 HA2 GLY 92 HA2 GLY 92 1.479 15.828 2.048 721 HA3 GLY 92 HA3 GLY 92 0.347 17.077 2.528 722 H CYS 93 H CYS 93 -0.949 14.725 0.342 723 HA CYS 93 HA CYS 93 -2.711 13.670 2.360 724 HB2 CYS 93 HB2 CYS 93 -2.300 12.648 -0.479 725 HB3 CYS 93 HB3 CYS 93 -3.691 12.350 0.570 726 HG CYS 93 HG CYS 93 -3.005 14.930 -1.393 727 H LEU 94 H LEU 94 -2.253 12.065 3.699 728 HA LEU 94 HA LEU 94 0.175 10.443 3.309 729 HB2 LEU 94 HB2 LEU 94 -0.342 11.855 5.453 730 HB3 LEU 94 HB3 LEU 94 -1.504 10.608 5.852 731 HG LEU 94 HG LEU 94 0.649 10.385 7.090 732 HD11 LEU 94 HD11 LEU 94 1.011 8.017 6.816 733 HD12 LEU 94 HD12 LEU 94 0.177 8.035 5.260 734 HD13 LEU 94 HD13 LEU 94 -0.708 8.394 6.743 735 HD21 LEU 94 HD21 LEU 94 2.706 9.674 5.988 736 HD22 LEU 94 HD22 LEU 94 2.182 11.251 5.396 737 HD23 LEU 94 HD23 LEU 94 1.927 9.812 4.406 738 H PHE 95 H PHE 95 -0.067 8.387 2.639 739 HA PHE 95 HA PHE 95 -2.711 7.081 2.696 740 HB2 PHE 95 HB2 PHE 95 -0.387 6.595 0.783 741 HB3 PHE 95 HB3 PHE 95 -1.986 5.864 0.687 742 HD1 PHE 95 HD1 PHE 95 -3.996 7.364 0.218 743 HD2 PHE 95 HD2 PHE 95 0.047 8.712 -0.229 744 HE1 PHE 95 HE1 PHE 95 -4.760 9.212 -1.213 745 HE2 PHE 95 HE2 PHE 95 -0.730 10.551 -1.654 746 HZ PHE 95 HZ PHE 95 -3.128 10.804 -2.144 747 H LEU 96 H LEU 96 -2.869 5.194 3.711 748 HA LEU 96 HA LEU 96 -0.512 3.597 4.502 749 HB2 LEU 96 HB2 LEU 96 -3.213 3.780 5.897 750 HB3 LEU 96 HB3 LEU 96 -1.764 2.999 6.512 751 HG LEU 96 HG LEU 96 -1.982 6.012 6.101 752 HD11 LEU 96 HD11 LEU 96 -3.702 5.298 7.691 753 HD12 LEU 96 HD12 LEU 96 -2.442 6.259 8.459 754 HD13 LEU 96 HD13 LEU 96 -2.472 4.503 8.678 755 HD21 LEU 96 HD21 LEU 96 0.306 5.182 6.219 756 HD22 LEU 96 HD22 LEU 96 -0.042 4.366 7.747 757 HD23 LEU 96 HD23 LEU 96 -0.093 6.129 7.650 758 H THR 97 H THR 97 -0.551 1.640 3.476 759 HA THR 97 HA THR 97 -3.096 0.492 2.493 760 HB THR 97 HB THR 97 -0.371 0.292 1.123 761 HG1 THR 97 HG1 THR 97 -2.471 2.114 0.936 762 HG21 THR 97 HG21 THR 97 -1.868 -1.619 0.572 763 HG22 THR 97 HG22 THR 97 -1.632 -0.561 -0.821 764 HG23 THR 97 HG23 THR 97 -3.135 -0.477 0.100 765 H GLU 98 H GLU 98 -3.383 -1.699 2.650 766 HA GLU 98 HA GLU 98 -1.239 -3.400 3.760 767 HB2 GLU 98 HB2 GLU 98 -3.155 -3.112 5.346 768 HB3 GLU 98 HB3 GLU 98 -4.251 -3.736 4.118 769 HG2 GLU 98 HG2 GLU 98 -2.859 -5.873 4.137 770 HG3 GLU 98 HG3 GLU 98 -2.033 -5.224 5.554 771 H LEU 99 H LEU 99 -0.774 -5.180 2.542 772 HA LEU 99 HA LEU 99 -2.578 -5.974 0.319 773 HB2 LEU 99 HB2 LEU 99 0.464 -6.201 0.426 774 HB3 LEU 99 HB3 LEU 99 -0.556 -6.762 -0.889 775 HG LEU 99 HG LEU 99 -0.037 -3.861 -0.110 776 HD11 LEU 99 HD11 LEU 99 0.801 -5.422 -2.575 777 HD12 LEU 99 HD12 LEU 99 1.851 -4.899 -1.255 778 HD13 LEU 99 HD13 LEU 99 1.081 -3.700 -2.290 779 HD21 LEU 99 HD21 LEU 99 -1.353 -3.239 -2.095 780 HD22 LEU 99 HD22 LEU 99 -2.334 -4.069 -0.891 781 HD23 LEU 99 HD23 LEU 99 -1.799 -4.932 -2.337 782 H LEU 100 H LEU 100 -3.286 -8.075 0.494 783 HA LEU 100 HA LEU 100 -1.929 -9.939 2.363 784 HB2 LEU 100 HB2 LEU 100 -3.905 -8.680 3.406 785 HB3 LEU 100 HB3 LEU 100 -4.950 -9.497 2.263 786 HG LEU 100 HG LEU 100 -3.299 -10.916 4.413 787 HD11 LEU 100 HD11 LEU 100 -5.390 -11.211 5.655 788 HD12 LEU 100 HD12 LEU 100 -6.257 -10.247 4.454 789 HD13 LEU 100 HD13 LEU 100 -5.003 -9.502 5.448 790 HD21 LEU 100 HD21 LEU 100 -5.510 -12.012 2.641 791 HD22 LEU 100 HD22 LEU 100 -4.736 -12.875 3.975 792 HD23 LEU 100 HD23 LEU 100 -3.795 -12.422 2.558 793 H LEU 101 H LEU 101 -1.371 -11.718 1.119 794 HA LEU 101 HA LEU 101 -3.079 -12.413 -1.210 795 HB2 LEU 101 HB2 LEU 101 -0.733 -11.881 -1.773 796 HB3 LEU 101 HB3 LEU 101 -0.177 -13.137 -0.682 797 HG LEU 101 HG LEU 101 -1.286 -14.867 -2.126 798 HD11 LEU 101 HD11 LEU 101 -2.092 -14.306 -4.359 799 HD12 LEU 101 HD12 LEU 101 -1.870 -12.584 -4.025 800 HD13 LEU 101 HD13 LEU 101 -3.057 -13.519 -3.112 801 HD21 LEU 101 HD21 LEU 101 0.313 -14.787 -3.972 802 HD22 LEU 101 HD22 LEU 101 1.072 -14.378 -2.435 803 HD23 LEU 101 HD23 LEU 101 0.684 -13.100 -3.591 804 H GLU 102 H GLU 102 -4.078 -14.345 -1.292 805 HA GLU 102 HA GLU 102 -4.192 -15.985 1.099 806 HB2 GLU 102 HB2 GLU 102 -5.780 -15.917 -1.491 807 HB3 GLU 102 HB3 GLU 102 -6.087 -17.111 -0.233 808 HG2 GLU 102 HG2 GLU 102 -6.246 -14.106 0.200 809 HG3 GLU 102 HG3 GLU 102 -7.631 -15.124 -0.210 810 HA PRO 103 HA PRO 103 -1.668 -19.441 -0.310 811 HB2 PRO 103 HB2 PRO 103 -3.519 -21.312 1.104 812 HB3 PRO 103 HB3 PRO 103 -1.803 -20.969 1.416 813 HG2 PRO 103 HG2 PRO 103 -3.709 -20.099 3.099 814 HG3 PRO 103 HG3 PRO 103 -2.256 -19.132 2.759 815 HD2 PRO 103 HD2 PRO 103 -5.034 -18.810 1.626 816 HD3 PRO 103 HD3 PRO 103 -3.913 -17.570 2.232 817 H GLY 104 H GLY 104 -5.020 -20.756 -0.239 818 HA2 GLY 104 HA2 GLY 104 -4.563 -22.387 -2.586 819 HA3 GLY 104 HA3 GLY 104 -6.046 -22.278 -1.648 820 H ASN 105 H ASN 105 -6.366 -19.442 -1.850 821 HA ASN 105 HA ASN 105 -7.414 -19.207 -4.587 822 HB2 ASN 105 HB2 ASN 105 -7.807 -17.463 -2.101 823 HB3 ASN 105 HB3 ASN 105 -8.521 -17.117 -3.676 824 HD21 ASN 105 HD21 ASN 105 -9.725 -17.775 -1.027 825 HD22 ASN 105 HD22 ASN 105 -10.814 -19.076 -1.357 826 H SER 106 H SER 106 -6.525 -17.837 -6.077 827 HA SER 106 HA SER 106 -4.042 -16.412 -5.459 828 HB2 SER 106 HB2 SER 106 -5.546 -16.745 -8.101 829 HB3 SER 106 HB3 SER 106 -3.919 -16.088 -7.914 830 HG SER 106 HG SER 106 -4.416 -18.605 -6.826 831 H GLU 107 H GLU 107 -5.503 -15.144 -3.929 832 HA GLU 107 HA GLU 107 -6.735 -12.792 -5.255 833 HB2 GLU 107 HB2 GLU 107 -7.665 -14.288 -2.758 834 HB3 GLU 107 HB3 GLU 107 -8.331 -12.748 -3.281 835 HG2 GLU 107 HG2 GLU 107 -8.484 -15.375 -4.794 836 HG3 GLU 107 HG3 GLU 107 -9.801 -14.605 -3.902 837 H MET 108 H MET 108 -5.810 -10.929 -4.664 838 HA MET 108 HA MET 108 -4.312 -10.724 -2.121 839 HB2 MET 108 HB2 MET 108 -2.852 -10.401 -4.101 840 HB3 MET 108 HB3 MET 108 -3.915 -9.131 -4.696 841 HG2 MET 108 HG2 MET 108 -3.359 -7.712 -2.791 842 HG3 MET 108 HG3 MET 108 -2.407 -9.004 -2.063 843 HE1 MET 108 HE1 MET 108 0.683 -9.203 -4.445 844 HE2 MET 108 HE2 MET 108 -0.767 -10.204 -4.499 845 HE3 MET 108 HE3 MET 108 -0.039 -9.789 -2.945 846 H GLN 109 H GLN 109 -5.172 -9.363 -0.690 847 HA GLN 109 HA GLN 109 -7.571 -7.821 -1.336 848 HB2 GLN 109 HB2 GLN 109 -7.901 -9.583 0.311 849 HB3 GLN 109 HB3 GLN 109 -6.499 -9.080 1.232 850 HG2 GLN 109 HG2 GLN 109 -8.824 -7.182 0.931 851 HG3 GLN 109 HG3 GLN 109 -8.950 -8.525 2.064 852 HE21 GLN 109 HE21 GLN 109 -7.440 -8.609 3.809 853 HE22 GLN 109 HE22 GLN 109 -6.694 -7.177 4.408 854 H ILE 110 H ILE 110 -7.318 -5.729 -1.437 855 HA ILE 110 HA ILE 110 -4.910 -4.386 -0.361 856 HB ILE 110 HB ILE 110 -6.800 -3.550 -2.626 857 HG12 ILE 110 HG12 ILE 110 -4.570 -3.546 -3.975 858 HG13 ILE 110 HG13 ILE 110 -3.891 -4.459 -2.639 859 HG21 ILE 110 HG21 ILE 110 -4.463 -1.999 -1.462 860 HG22 ILE 110 HG22 ILE 110 -6.169 -1.566 -1.335 861 HG23 ILE 110 HG23 ILE 110 -5.372 -1.543 -2.907 862 HD11 ILE 110 HD11 ILE 110 -4.514 -5.892 -4.488 863 HD12 ILE 110 HD12 ILE 110 -6.183 -5.333 -4.391 864 HD13 ILE 110 HD13 ILE 110 -5.483 -6.261 -3.064 865 H SER 111 H SER 111 -5.347 -3.351 1.545 866 HA SER 111 HA SER 111 -7.973 -2.013 1.912 867 HB2 SER 111 HB2 SER 111 -7.529 -3.798 3.607 868 HB3 SER 111 HB3 SER 111 -6.026 -2.992 4.061 869 HG SER 111 HG SER 111 -7.291 -2.027 5.438 870 H VAL 112 H VAL 112 -7.649 0.027 1.261 871 HA VAL 112 HA VAL 112 -5.222 1.499 2.081 872 HB VAL 112 HB VAL 112 -7.274 2.255 -0.063 873 HG11 VAL 112 HG11 VAL 112 -6.269 4.259 0.977 874 HG12 VAL 112 HG12 VAL 112 -5.711 4.067 -0.687 875 HG13 VAL 112 HG13 VAL 112 -4.650 3.627 0.656 876 HG21 VAL 112 HG21 VAL 112 -4.424 1.224 -0.381 877 HG22 VAL 112 HG22 VAL 112 -5.472 1.772 -1.693 878 HG23 VAL 112 HG23 VAL 112 -5.905 0.338 -0.762 879 H LYS 113 H LYS 113 -5.389 3.132 3.425 880 HA LYS 113 HA LYS 113 -7.860 4.568 3.942 881 HB2 LYS 113 HB2 LYS 113 -7.587 4.482 6.393 882 HB3 LYS 113 HB3 LYS 113 -7.788 2.855 5.757 883 HG2 LYS 113 HG2 LYS 113 -5.405 2.415 5.991 884 HG3 LYS 113 HG3 LYS 113 -5.115 4.080 6.496 885 HD2 LYS 113 HD2 LYS 113 -5.098 2.628 8.445 886 HD3 LYS 113 HD3 LYS 113 -6.502 3.693 8.529 887 HE2 LYS 113 HE2 LYS 113 -7.954 1.856 7.776 888 HE3 LYS 113 HE3 LYS 113 -6.547 0.803 7.597 889 HZ1 LYS 113 HZ1 LYS 113 -7.792 0.460 9.688 890 HZ2 LYS 113 HZ2 LYS 113 -7.383 2.023 10.173 891 HZ3 LYS 113 HZ3 LYS 113 -6.172 0.873 9.940 892 H GLN 114 H GLN 114 -7.391 6.754 4.407 893 HA GLN 114 HA GLN 114 -4.558 7.546 4.456 894 HB2 GLN 114 HB2 GLN 114 -4.917 9.306 2.777 895 HB3 GLN 114 HB3 GLN 114 -5.198 7.711 2.094 896 HG2 GLN 114 HG2 GLN 114 -7.543 9.306 3.096 897 HG3 GLN 114 HG3 GLN 114 -6.812 9.732 1.555 898 HE21 GLN 114 HE21 GLN 114 -8.797 9.229 0.532 899 HE22 GLN 114 HE22 GLN 114 -9.291 7.601 0.254 900 H ASN 115 H ASN 115 -4.241 9.771 5.151 901 HA ASN 115 HA ASN 115 -5.599 10.319 7.555 902 HB2 ASN 115 HB2 ASN 115 -3.264 10.965 7.270 903 HB3 ASN 115 HB3 ASN 115 -3.673 12.038 5.937 904 HD21 ASN 115 HD21 ASN 115 -2.810 13.864 6.910 905 HD22 ASN 115 HD22 ASN 115 -3.504 14.610 8.305 906 H GLU 116 H GLU 116 -5.350 12.708 4.877 907 HA GLU 116 HA GLU 116 -8.177 13.453 5.332 908 HB2 GLU 116 HB2 GLU 116 -5.933 14.955 3.911 909 HB3 GLU 116 HB3 GLU 116 -7.600 15.525 4.059 910 HG2 GLU 116 HG2 GLU 116 -7.336 15.453 6.556 911 HG3 GLU 116 HG3 GLU 116 -5.635 15.049 6.322 912 H ALA 117 H ALA 117 -9.487 12.313 4.102 913 HA ALA 117 HA ALA 117 -8.622 10.965 1.707 914 HB1 ALA 117 HB1 ALA 117 -10.846 9.901 1.791 915 HB2 ALA 117 HB2 ALA 117 -11.331 11.003 3.083 916 HB3 ALA 117 HB3 ALA 117 -10.047 9.828 3.366 917 H ARG 118 H ARG 118 -8.537 12.094 -0.158 918 HA ARG 118 HA ARG 118 -11.007 13.475 -1.044 919 HB2 ARG 118 HB2 ARG 118 -8.311 13.364 -2.493 920 HB3 ARG 118 HB3 ARG 118 -9.695 14.381 -2.899 921 HG2 ARG 118 HG2 ARG 118 -9.381 15.662 -0.841 922 HG3 ARG 118 HG3 ARG 118 -8.051 14.606 -0.373 923 HD2 ARG 118 HD2 ARG 118 -6.867 15.347 -2.495 924 HD3 ARG 118 HD3 ARG 118 -8.139 16.554 -2.692 925 HE ARG 118 HE ARG 118 -7.360 17.223 -0.291 926 HH11 ARG 118 HH11 ARG 118 -5.266 16.243 -2.953 927 HH12 ARG 118 HH12 ARG 118 -3.914 17.168 -2.394 928 HH21 ARG 118 HH21 ARG 118 -5.567 18.452 0.426 929 HH22 ARG 118 HH22 ARG 118 -4.087 18.423 -0.479 930 H THR 119 H THR 119 -12.237 12.442 -2.615 931 HA THR 119 HA THR 119 -11.890 9.753 -3.342 932 HB THR 119 HB THR 119 -13.369 11.836 -5.027 933 HG1 THR 119 HG1 THR 119 -15.173 11.279 -3.634 934 HG21 THR 119 HG21 THR 119 -13.913 8.856 -4.615 935 HG22 THR 119 HG22 THR 119 -13.194 9.566 -6.065 936 HG23 THR 119 HG23 THR 119 -14.857 9.953 -5.622 937 H GLU 120 H GLU 120 -10.603 12.715 -4.685 938 HA GLU 120 HA GLU 120 -9.619 11.782 -7.183 939 HB2 GLU 120 HB2 GLU 120 -9.968 14.148 -6.705 940 HB3 GLU 120 HB3 GLU 120 -8.815 14.087 -5.376 941 HG2 GLU 120 HG2 GLU 120 -6.990 13.632 -7.009 942 HG3 GLU 120 HG3 GLU 120 -8.158 13.774 -8.329 943 H THR 121 H THR 121 -7.952 12.340 -4.019 944 HA THR 121 HA THR 121 -5.424 11.392 -4.970 945 HB THR 121 HB THR 121 -4.735 11.475 -2.531 946 HG1 THR 121 HG1 THR 121 -6.177 11.938 -1.006 947 HG21 THR 121 HG21 THR 121 -4.442 13.442 -3.993 948 HG22 THR 121 HG22 THR 121 -4.876 13.940 -2.357 949 HG23 THR 121 HG23 THR 121 -6.092 13.963 -3.634 950 H LEU 122 H LEU 122 -8.082 9.893 -3.179 951 HA LEU 122 HA LEU 122 -6.947 7.418 -2.576 952 HB2 LEU 122 HB2 LEU 122 -9.131 8.222 -1.724 953 HB3 LEU 122 HB3 LEU 122 -9.816 8.084 -3.335 954 HG LEU 122 HG LEU 122 -9.443 5.595 -3.239 955 HD11 LEU 122 HD11 LEU 122 -7.618 5.509 -1.641 956 HD12 LEU 122 HD12 LEU 122 -8.969 4.524 -1.091 957 HD13 LEU 122 HD13 LEU 122 -8.672 6.104 -0.356 958 HD21 LEU 122 HD21 LEU 122 -11.633 6.543 -2.714 959 HD22 LEU 122 HD22 LEU 122 -11.170 6.714 -1.018 960 HD23 LEU 122 HD23 LEU 122 -11.310 5.109 -1.740 961 H ASN 123 H ASN 123 -8.844 8.374 -5.483 962 HA ASN 123 HA ASN 123 -8.770 5.838 -6.764 963 HB2 ASN 123 HB2 ASN 123 -9.265 8.602 -7.957 964 HB3 ASN 123 HB3 ASN 123 -9.430 7.109 -8.875 965 HD21 ASN 123 HD21 ASN 123 -11.458 9.040 -8.443 966 HD22 ASN 123 HD22 ASN 123 -12.740 8.278 -7.569 967 H SER 124 H SER 124 -6.744 8.737 -7.127 968 HA SER 124 HA SER 124 -5.174 7.871 -9.312 969 HB2 SER 124 HB2 SER 124 -3.605 9.708 -8.605 970 HB3 SER 124 HB3 SER 124 -5.280 10.241 -8.719 971 HG SER 124 HG SER 124 -5.095 10.834 -6.724 972 H PHE 125 H PHE 125 -4.613 7.756 -5.785 973 HA PHE 125 HA PHE 125 -2.029 6.669 -5.778 974 HB2 PHE 125 HB2 PHE 125 -2.926 7.700 -3.776 975 HB3 PHE 125 HB3 PHE 125 -4.253 6.548 -3.704 976 HD1 PHE 125 HD2 PHE 125 -0.513 6.743 -3.526 977 HD2 PHE 125 HD1 PHE 125 -4.038 4.599 -2.371 978 HE1 PHE 125 HE2 PHE 125 0.837 5.261 -2.108 979 HE2 PHE 125 HE1 PHE 125 -2.672 3.125 -0.962 980 HZ PHE 125 HZ PHE 125 -0.232 3.449 -0.833 981 H ILE 126 H ILE 126 -5.194 4.985 -5.513 982 HA ILE 126 HA ILE 126 -4.064 2.374 -5.228 983 HB ILE 126 HB ILE 126 -6.901 3.116 -6.089 984 HG12 ILE 126 HG12 ILE 126 -5.866 2.411 -3.303 985 HG13 ILE 126 HG13 ILE 126 -6.204 4.048 -3.856 986 HG21 ILE 126 HG21 ILE 126 -6.372 0.766 -6.647 987 HG22 ILE 126 HG22 ILE 126 -7.543 0.841 -5.330 988 HG23 ILE 126 HG23 ILE 126 -5.850 0.475 -4.984 989 HD11 ILE 126 HD11 ILE 126 -7.986 3.094 -2.470 990 HD12 ILE 126 HD12 ILE 126 -8.262 1.855 -3.692 991 HD13 ILE 126 HD13 ILE 126 -8.534 3.556 -4.076 992 H SER 127 H SER 127 -5.120 4.310 -8.012 993 HA SER 127 HA SER 127 -4.982 2.322 -10.005 994 HB2 SER 127 HB2 SER 127 -6.015 4.636 -10.239 995 HB3 SER 127 HB3 SER 127 -4.385 5.284 -10.428 996 HG SER 127 HG SER 127 -5.809 3.502 -12.099 997 H VAL 128 H VAL 128 -2.509 4.468 -8.621 998 HA VAL 128 HA VAL 128 -0.263 3.709 -10.143 999 HB VAL 128 HB VAL 128 -0.489 4.739 -7.275 1000 HG11 VAL 128 HG11 VAL 128 1.635 3.515 -7.417 1001 HG12 VAL 128 HG12 VAL 128 1.941 5.251 -7.336 1002 HG13 VAL 128 HG13 VAL 128 2.075 4.402 -8.879 1003 HG21 VAL 128 HG21 VAL 128 -1.221 6.317 -9.011 1004 HG22 VAL 128 HG22 VAL 128 0.319 6.135 -9.852 1005 HG23 VAL 128 HG23 VAL 128 0.270 6.884 -8.254 1006 H LEU 129 H LEU 129 -1.411 2.510 -6.981 1007 HA LEU 129 HA LEU 129 0.357 0.452 -6.459 1008 HB2 LEU 129 HB2 LEU 129 -1.316 1.330 -4.888 1009 HB3 LEU 129 HB3 LEU 129 -2.603 0.670 -5.877 1010 HG LEU 129 HG LEU 129 -1.335 -1.658 -5.339 1011 HD11 LEU 129 HD11 LEU 129 0.496 -0.651 -4.063 1012 HD12 LEU 129 HD12 LEU 129 -0.465 -1.758 -3.082 1013 HD13 LEU 129 HD13 LEU 129 -0.666 -0.012 -2.892 1014 HD21 LEU 129 HD21 LEU 129 -3.668 -1.171 -4.877 1015 HD22 LEU 129 HD22 LEU 129 -3.216 -0.294 -3.413 1016 HD23 LEU 129 HD23 LEU 129 -2.915 -2.029 -3.536 1017 H GLU 130 H GLU 130 -2.682 0.318 -8.295 1018 HA GLU 130 HA GLU 130 -2.802 -2.458 -8.829 1019 HB2 GLU 130 HB2 GLU 130 -4.141 -0.094 -10.207 1020 HB3 GLU 130 HB3 GLU 130 -4.467 -1.768 -10.657 1021 HG2 GLU 130 HG2 GLU 130 -5.382 -2.235 -8.448 1022 HG3 GLU 130 HG3 GLU 130 -4.948 -0.621 -7.887 1023 H THR 131 H THR 131 -1.385 0.268 -10.607 1024 HA THR 131 HA THR 131 -0.617 -1.144 -12.939 1025 HB THR 131 HB THR 131 0.664 1.339 -11.707 1026 HG1 THR 131 HG1 THR 131 -1.711 1.191 -12.519 1027 HG21 THR 131 HG21 THR 131 0.867 0.261 -14.549 1028 HG22 THR 131 HG22 THR 131 2.189 0.342 -13.376 1029 HG23 THR 131 HG23 THR 131 1.467 1.823 -14.021 1030 H VAL 132 H VAL 132 1.050 -0.541 -9.841 1031 HA VAL 132 HA VAL 132 3.589 -1.616 -10.446 1032 HB VAL 132 HB VAL 132 2.170 -1.458 -7.730 1033 HG11 VAL 132 HG11 VAL 132 4.035 -3.058 -7.621 1034 HG12 VAL 132 HG12 VAL 132 4.441 -1.592 -6.724 1035 HG13 VAL 132 HG13 VAL 132 5.125 -1.865 -8.329 1036 HG21 VAL 132 HG21 VAL 132 3.449 0.637 -7.410 1037 HG22 VAL 132 HG22 VAL 132 2.411 0.741 -8.831 1038 HG23 VAL 132 HG23 VAL 132 4.141 0.465 -9.027 1039 H ILE 133 H ILE 133 0.751 -3.077 -8.876 1040 HA ILE 133 HA ILE 133 1.787 -5.682 -8.480 1041 HB ILE 133 HB ILE 133 -1.094 -4.653 -8.628 1042 HG12 ILE 133 HG12 ILE 133 0.711 -5.239 -6.226 1043 HG13 ILE 133 HG13 ILE 133 0.191 -3.652 -6.781 1044 HG21 ILE 133 HG21 ILE 133 -1.834 -6.723 -7.545 1045 HG22 ILE 133 HG22 ILE 133 -0.185 -7.346 -7.569 1046 HG23 ILE 133 HG23 ILE 133 -1.049 -7.085 -9.083 1047 HD11 ILE 133 HD11 ILE 133 -1.574 -5.799 -5.608 1048 HD12 ILE 133 HD12 ILE 133 -2.129 -4.237 -6.220 1049 HD13 ILE 133 HD13 ILE 133 -1.051 -4.304 -4.828 1050 H GLY 134 H GLY 134 -0.203 -4.191 -10.998 1051 HA2 GLY 134 HA2 GLY 134 -0.924 -6.385 -12.540 1052 HA3 GLY 134 HA3 GLY 134 -0.838 -4.730 -13.103 1053 H THR 135 H THR 135 1.864 -4.215 -12.941 1054 HA THR 135 HA THR 135 2.814 -5.179 -15.408 1055 HB THR 135 HB THR 135 4.350 -3.798 -13.162 1056 HG1 THR 135 HG1 THR 135 2.371 -2.851 -14.409 1057 HG21 THR 135 HG21 THR 135 5.907 -3.024 -14.894 1058 HG22 THR 135 HG22 THR 135 5.042 -3.955 -16.120 1059 HG23 THR 135 HG23 THR 135 5.908 -4.789 -14.826 1060 H ILE 136 H ILE 136 3.178 -6.390 -12.185 1061 HA ILE 136 HA ILE 136 5.546 -8.042 -12.673 1062 HB ILE 136 HB ILE 136 3.701 -7.855 -10.238 1063 HG12 ILE 136 HG12 ILE 136 6.463 -6.613 -10.627 1064 HG13 ILE 136 HG13 ILE 136 4.952 -5.738 -10.857 1065 HG21 ILE 136 HG21 ILE 136 4.895 -10.017 -10.281 1066 HG22 ILE 136 HG22 ILE 136 5.492 -8.995 -8.974 1067 HG23 ILE 136 HG23 ILE 136 6.438 -9.176 -10.454 1068 HD11 ILE 136 HD11 ILE 136 5.922 -6.946 -8.274 1069 HD12 ILE 136 HD12 ILE 136 4.383 -6.113 -8.514 1070 HD13 ILE 136 HD13 ILE 136 5.897 -5.237 -8.714 1071 H GLU 137 H GLU 137 2.042 -8.287 -12.453 1072 HA GLU 137 HA GLU 137 1.798 -11.140 -12.419 1073 HB2 GLU 137 HB2 GLU 137 -0.181 -8.979 -13.245 1074 HB3 GLU 137 HB3 GLU 137 -0.588 -10.681 -13.019 1075 HG2 GLU 137 HG2 GLU 137 -0.046 -10.527 -10.647 1076 HG3 GLU 137 HG3 GLU 137 0.451 -8.848 -10.844 1077 H GLU 138 H GLU 138 0.980 -12.468 -14.109 1078 HA GLU 138 HA GLU 138 1.461 -11.563 -16.903 1079 HB2 GLU 138 HB2 GLU 138 1.746 -13.953 -17.466 1080 HB3 GLU 138 HB3 GLU 138 2.883 -13.469 -16.211 1081 HG2 GLU 138 HG2 GLU 138 1.501 -14.524 -14.505 1082 HG3 GLU 138 HG3 GLU 138 0.285 -14.947 -15.708 1083 H ILE 139 H ILE 139 -0.052 -13.314 -18.333 1084 HA ILE 139 HA ILE 139 -2.808 -13.247 -17.269 1085 HB ILE 139 HB ILE 139 -3.668 -12.608 -19.535 1086 HG12 ILE 139 HG12 ILE 139 -0.742 -12.082 -20.225 1087 HG13 ILE 139 HG13 ILE 139 -1.769 -13.317 -20.931 1088 HG21 ILE 139 HG21 ILE 139 -3.453 -10.883 -17.798 1089 HG22 ILE 139 HG22 ILE 139 -3.191 -10.200 -19.402 1090 HG23 ILE 139 HG23 ILE 139 -1.813 -10.520 -18.345 1091 HD11 ILE 139 HD11 ILE 139 -3.139 -11.605 -21.988 1092 HD12 ILE 139 HD12 ILE 139 -1.444 -11.448 -22.442 1093 HD13 ILE 139 HD13 ILE 139 -2.143 -10.338 -21.263 1094 H LYS 140 H LYS 140 -3.747 -15.223 -17.395 1095 HA LYS 140 HA LYS 140 -2.556 -17.349 -19.028 1096 HB2 LYS 140 HB2 LYS 140 -4.904 -17.534 -17.078 1097 HB3 LYS 140 HB3 LYS 140 -4.056 -18.886 -17.823 1098 HG2 LYS 140 HG2 LYS 140 -2.865 -16.931 -15.825 1099 HG3 LYS 140 HG3 LYS 140 -3.422 -18.568 -15.464 1100 HD2 LYS 140 HD2 LYS 140 -1.676 -19.470 -17.004 1101 HD3 LYS 140 HD3 LYS 140 -1.107 -17.822 -17.300 1102 HE2 LYS 140 HE2 LYS 140 -0.504 -17.582 -14.933 1103 HE3 LYS 140 HE3 LYS 140 -1.148 -19.189 -14.581 1104 HZ1 LYS 140 HZ1 LYS 140 0.543 -20.119 -16.064 1105 HZ2 LYS 140 HZ2 LYS 140 1.232 -19.262 -14.785 1106 HZ3 LYS 140 HZ3 LYS 140 1.176 -18.572 -16.329 1107 H SER 141 H SER 141 -3.109 -16.349 -21.028 1108 HA SER 141 HA SER 141 -5.758 -15.806 -21.898 1109 HB2 SER 141 HB2 SER 141 -3.811 -14.741 -22.949 1110 HB3 SER 141 HB3 SER 141 -3.199 -16.307 -23.486 1111 HG SER 141 HG SER 141 -4.261 -15.341 -25.181 Start of MODEL 13 1 H1 MET 1 H1 MET 1 10.134 68.886 -0.284 2 H2 MET 1 H2 MET 1 11.789 68.693 -0.546 3 H3 MET 1 H3 MET 1 11.136 68.373 0.978 4 HA MET 1 HA MET 1 10.589 66.876 -1.516 5 HB2 MET 1 HB2 MET 1 12.840 66.444 -0.645 6 HB3 MET 1 HB3 MET 1 12.208 66.175 0.970 7 HG2 MET 1 HG2 MET 1 11.051 64.157 0.163 8 HG3 MET 1 HG3 MET 1 11.720 64.420 -1.444 9 HE1 MET 1 HE1 MET 1 14.334 64.203 -2.029 10 HE2 MET 1 HE2 MET 1 15.566 63.884 -0.811 11 HE3 MET 1 HE3 MET 1 14.704 65.423 -0.807 12 H GLY 2 H GLY 2 8.909 65.415 -1.403 13 HA2 GLY 2 HA2 GLY 2 7.651 64.332 0.837 14 HA3 GLY 2 HA3 GLY 2 6.832 65.853 0.498 15 H HIS 3 H HIS 3 7.573 62.669 -0.726 16 HA HIS 3 HA HIS 3 5.123 62.568 -2.282 17 HB2 HIS 3 HB2 HIS 3 6.240 61.840 -4.376 18 HB3 HIS 3 HB3 HIS 3 6.721 63.480 -3.934 19 HD1 HIS 3 HD1 HIS 3 8.101 60.172 -4.740 20 HD2 HIS 3 HD2 HIS 3 9.443 63.620 -2.855 21 HE1 HIS 3 HE1 HIS 3 10.601 60.020 -4.746 22 HE2 HIS 3 HE2 HIS 3 11.374 62.030 -3.457 23 H HIS 4 H HIS 4 4.437 60.405 -2.686 24 HA HIS 4 HA HIS 4 6.085 58.128 -1.988 25 HB2 HIS 4 HB2 HIS 4 4.665 57.299 -0.125 26 HB3 HIS 4 HB3 HIS 4 5.421 58.835 0.280 27 HD1 HIS 4 HD1 HIS 4 2.071 57.341 -0.614 28 HD2 HIS 4 HD2 HIS 4 3.647 60.869 0.916 29 HE1 HIS 4 HE1 HIS 4 0.104 58.657 0.207 30 HE2 HIS 4 HE2 HIS 4 1.066 60.846 0.964 31 H HIS 5 H HIS 5 4.588 59.108 -4.287 32 HA HIS 5 HA HIS 5 2.217 57.501 -4.628 33 HB2 HIS 5 HB2 HIS 5 2.475 59.724 -5.697 34 HB3 HIS 5 HB3 HIS 5 3.806 59.116 -6.672 35 HD1 HIS 5 HD1 HIS 5 3.217 57.949 -8.808 36 HD2 HIS 5 HD2 HIS 5 -0.121 58.570 -6.403 37 HE1 HIS 5 HE1 HIS 5 1.235 57.425 -10.253 38 HE2 HIS 5 HE2 HIS 5 -0.764 57.925 -8.825 39 H HIS 6 H HIS 6 3.427 55.520 -3.985 40 HA HIS 6 HA HIS 6 4.221 53.972 -6.349 41 HB2 HIS 6 HB2 HIS 6 5.867 54.065 -3.775 42 HB3 HIS 6 HB3 HIS 6 6.064 52.840 -5.028 43 HD1 HIS 6 HD1 HIS 6 7.314 53.509 -7.159 44 HD2 HIS 6 HD2 HIS 6 6.838 56.650 -4.479 45 HE1 HIS 6 HE1 HIS 6 8.760 55.364 -8.022 46 HE2 HIS 6 HE2 HIS 6 8.408 57.271 -6.430 47 H HIS 7 H HIS 7 2.217 53.035 -6.271 48 HA HIS 7 HA HIS 7 1.638 51.271 -3.954 49 HB2 HIS 7 HB2 HIS 7 -0.345 52.684 -5.797 50 HB3 HIS 7 HB3 HIS 7 -0.791 51.482 -4.594 51 HD1 HIS 7 HD1 HIS 7 -1.452 52.389 -2.389 52 HD2 HIS 7 HD2 HIS 7 0.890 55.093 -4.509 53 HE1 HIS 7 HE1 HIS 7 -1.417 54.482 -1.017 54 HE2 HIS 7 HE2 HIS 7 0.175 56.001 -2.209 55 H HIS 8 H HIS 8 2.764 49.530 -4.835 56 HA HIS 8 HA HIS 8 1.228 47.831 -6.502 57 HB2 HIS 8 HB2 HIS 8 2.915 47.453 -8.316 58 HB3 HIS 8 HB3 HIS 8 2.187 49.059 -8.360 59 HD1 HIS 8 HD1 HIS 8 5.416 47.315 -8.183 60 HD2 HIS 8 HD2 HIS 8 4.014 51.172 -7.518 61 HE1 HIS 8 HE1 HIS 8 7.449 48.777 -8.127 62 HE2 HIS 8 HE2 HIS 8 6.587 51.074 -7.614 63 H SER 9 H SER 9 1.318 46.408 -4.856 64 HA SER 9 HA SER 9 3.825 44.895 -4.517 65 HB2 SER 9 HB2 SER 9 3.522 46.324 -2.505 66 HB3 SER 9 HB3 SER 9 1.892 45.681 -2.274 67 HG SER 9 HG SER 9 3.565 44.672 -0.986 68 H HIS 10 H HIS 10 3.227 43.153 -5.713 69 HA HIS 10 HA HIS 10 0.454 42.258 -5.856 70 HB2 HIS 10 HB2 HIS 10 2.961 41.331 -7.339 71 HB3 HIS 10 HB3 HIS 10 1.364 40.631 -7.587 72 HD1 HIS 10 HD1 HIS 10 0.709 41.428 -9.850 73 HD2 HIS 10 HD2 HIS 10 2.229 44.521 -7.531 74 HE1 HIS 10 HE1 HIS 10 0.469 43.494 -11.241 75 HE2 HIS 10 HE2 HIS 10 1.510 45.311 -9.871 76 H MET 11 H MET 11 0.200 41.521 -3.697 77 HA MET 11 HA MET 11 1.436 38.876 -3.129 78 HB2 MET 11 HB2 MET 11 0.389 40.964 -1.156 79 HB3 MET 11 HB3 MET 11 0.886 39.336 -0.712 80 HG2 MET 11 HG2 MET 11 3.174 39.864 -1.616 81 HG3 MET 11 HG3 MET 11 2.629 41.532 -1.821 82 HE1 MET 11 HE1 MET 11 5.171 40.453 -0.063 83 HE2 MET 11 HE2 MET 11 5.056 41.497 1.355 84 HE3 MET 11 HE3 MET 11 4.833 42.174 -0.257 85 H GLN 12 H GLN 12 0.019 37.442 -3.867 86 HA GLN 12 HA GLN 12 -2.671 37.340 -2.702 87 HB2 GLN 12 HB2 GLN 12 -3.692 36.749 -4.904 88 HB3 GLN 12 HB3 GLN 12 -3.065 38.395 -4.880 89 HG2 GLN 12 HG2 GLN 12 -1.086 37.688 -6.133 90 HG3 GLN 12 HG3 GLN 12 -1.651 36.021 -6.137 91 HE21 GLN 12 HE21 GLN 12 -2.113 39.201 -7.496 92 HE22 GLN 12 HE22 GLN 12 -3.170 38.707 -8.771 93 H GLU 13 H GLU 13 -3.497 35.227 -2.579 94 HA GLU 13 HA GLU 13 -1.496 33.136 -2.425 95 HB2 GLU 13 HB2 GLU 13 -4.476 33.077 -1.799 96 HB3 GLU 13 HB3 GLU 13 -3.323 31.800 -1.412 97 HG2 GLU 13 HG2 GLU 13 -2.128 33.294 0.122 98 HG3 GLU 13 HG3 GLU 13 -3.199 34.624 -0.312 99 H LEU 14 H LEU 14 -1.374 31.331 -3.688 100 HA LEU 14 HA LEU 14 -2.697 31.393 -6.311 101 HB2 LEU 14 HB2 LEU 14 -0.324 29.841 -5.172 102 HB3 LEU 14 HB3 LEU 14 -1.015 29.473 -6.740 103 HG LEU 14 HG LEU 14 -0.464 31.843 -7.473 104 HD11 LEU 14 HD11 LEU 14 -0.295 32.945 -5.307 105 HD12 LEU 14 HD12 LEU 14 1.204 33.128 -6.215 106 HD13 LEU 14 HD13 LEU 14 1.113 31.963 -4.893 107 HD21 LEU 14 HD21 LEU 14 1.880 30.108 -6.644 108 HD22 LEU 14 HD22 LEU 14 1.912 31.378 -7.871 109 HD23 LEU 14 HD23 LEU 14 0.928 29.937 -8.122 110 HA PRO 15 HA PRO 15 -5.468 27.787 -5.733 111 HB2 PRO 15 HB2 PRO 15 -3.703 26.265 -7.662 112 HB3 PRO 15 HB3 PRO 15 -5.477 26.399 -7.621 113 HG2 PRO 15 HG2 PRO 15 -4.106 27.819 -9.392 114 HG3 PRO 15 HG3 PRO 15 -5.479 28.558 -8.531 115 HD2 PRO 15 HD2 PRO 15 -2.533 28.942 -8.082 116 HD3 PRO 15 HD3 PRO 15 -3.855 30.125 -7.971 117 H ASP 16 H ASP 16 -2.057 26.872 -5.998 118 HA ASP 16 HA ASP 16 -0.678 25.451 -4.901 119 HB2 ASP 16 HB2 ASP 16 -2.454 26.338 -2.596 120 HB3 ASP 16 HB3 ASP 16 -1.089 25.259 -2.336 121 H SER 17 H SER 17 -3.007 24.294 -6.223 122 HA SER 17 HA SER 17 -3.112 21.651 -4.940 123 HB2 SER 17 HB2 SER 17 -5.619 23.208 -5.763 124 HB3 SER 17 HB3 SER 17 -5.573 21.544 -5.166 125 HG SER 17 HG SER 17 -4.908 23.919 -3.763 126 H GLY 18 H GLY 18 -3.001 20.065 -6.434 127 HA2 GLY 18 HA2 GLY 18 -3.764 20.548 -9.245 128 HA3 GLY 18 HA3 GLY 18 -2.088 20.104 -8.899 129 H ALA 19 H ALA 19 -1.832 18.026 -9.465 130 HA ALA 19 HA ALA 19 -3.952 16.022 -9.035 131 HB1 ALA 19 HB1 ALA 19 -2.533 14.588 -10.475 132 HB2 ALA 19 HB2 ALA 19 -1.299 15.852 -10.523 133 HB3 ALA 19 HB3 ALA 19 -2.880 16.134 -11.250 134 H LEU 20 H LEU 20 -2.443 13.735 -8.723 135 HA LEU 20 HA LEU 20 -1.346 13.922 -6.022 136 HB2 LEU 20 HB2 LEU 20 -2.951 12.086 -6.643 137 HB3 LEU 20 HB3 LEU 20 -1.790 11.491 -7.821 138 HG LEU 20 HG LEU 20 -0.156 11.142 -5.862 139 HD11 LEU 20 HD11 LEU 20 -1.081 11.008 -3.622 140 HD12 LEU 20 HD12 LEU 20 -2.648 11.570 -4.208 141 HD13 LEU 20 HD13 LEU 20 -1.242 12.638 -4.271 142 HD21 LEU 20 HD21 LEU 20 -1.135 9.011 -5.157 143 HD22 LEU 20 HD22 LEU 20 -1.327 9.247 -6.893 144 HD23 LEU 20 HD23 LEU 20 -2.701 9.493 -5.815 145 H MET 21 H MET 21 0.809 14.410 -5.879 146 HA MET 21 HA MET 21 2.702 13.105 -7.780 147 HB2 MET 21 HB2 MET 21 2.739 15.542 -8.096 148 HB3 MET 21 HB3 MET 21 2.928 15.809 -6.370 149 HG2 MET 21 HG2 MET 21 5.167 14.660 -6.509 150 HG3 MET 21 HG3 MET 21 4.971 14.613 -8.265 151 HE1 MET 21 HE1 MET 21 7.366 15.928 -8.451 152 HE2 MET 21 HE2 MET 21 7.459 15.952 -6.689 153 HE3 MET 21 HE3 MET 21 7.674 17.442 -7.605 154 H LEU 22 H LEU 22 3.262 11.262 -6.566 155 HA LEU 22 HA LEU 22 3.648 11.358 -3.714 156 HB2 LEU 22 HB2 LEU 22 4.382 9.223 -5.774 157 HB3 LEU 22 HB3 LEU 22 4.523 9.006 -4.037 158 HG LEU 22 HG LEU 22 1.901 9.518 -5.499 159 HD11 LEU 22 HD11 LEU 22 1.392 7.156 -5.098 160 HD12 LEU 22 HD12 LEU 22 2.992 6.912 -4.391 161 HD13 LEU 22 HD13 LEU 22 2.834 7.334 -6.099 162 HD21 LEU 22 HD21 LEU 22 2.399 8.760 -2.596 163 HD22 LEU 22 HD22 LEU 22 0.819 8.898 -3.374 164 HD23 LEU 22 HD23 LEU 22 1.833 10.325 -3.185 165 H VAL 23 H VAL 23 5.296 12.421 -2.891 166 HA VAL 23 HA VAL 23 7.800 12.872 -4.384 167 HB VAL 23 HB VAL 23 8.214 14.658 -2.671 168 HG11 VAL 23 HG11 VAL 23 5.476 14.816 -3.995 169 HG12 VAL 23 HG12 VAL 23 7.022 15.231 -4.740 170 HG13 VAL 23 HG13 VAL 23 6.407 16.194 -3.396 171 HG21 VAL 23 HG21 VAL 23 5.514 13.818 -1.536 172 HG22 VAL 23 HG22 VAL 23 6.424 15.248 -1.043 173 HG23 VAL 23 HG23 VAL 23 7.080 13.638 -0.744 174 HA PRO 24 HA PRO 24 10.461 10.440 -1.519 175 HB2 PRO 24 HB2 PRO 24 11.893 13.016 -0.830 176 HB3 PRO 24 HB3 PRO 24 12.571 11.456 -1.351 177 HG2 PRO 24 HG2 PRO 24 12.464 13.493 -3.058 178 HG3 PRO 24 HG3 PRO 24 12.098 11.840 -3.611 179 HD2 PRO 24 HD2 PRO 24 10.200 14.095 -3.001 180 HD3 PRO 24 HD3 PRO 24 10.129 12.879 -4.296 181 H ASN 25 H ASN 25 8.812 10.033 -0.075 182 HA ASN 25 HA ASN 25 7.964 11.984 1.908 183 HB2 ASN 25 HB2 ASN 25 6.298 10.210 2.535 184 HB3 ASN 25 HB3 ASN 25 6.217 10.692 0.847 185 HD21 ASN 25 HD21 ASN 25 6.902 9.243 -0.755 186 HD22 ASN 25 HD22 ASN 25 7.070 7.552 -0.434 187 H ARG 26 H ARG 26 7.419 10.652 4.124 188 HA ARG 26 HA ARG 26 10.059 10.330 5.302 189 HB2 ARG 26 HB2 ARG 26 7.302 10.483 6.603 190 HB3 ARG 26 HB3 ARG 26 8.839 10.520 7.462 191 HG2 ARG 26 HG2 ARG 26 7.837 12.605 5.501 192 HG3 ARG 26 HG3 ARG 26 7.919 12.776 7.254 193 HD2 ARG 26 HD2 ARG 26 10.402 12.558 7.132 194 HD3 ARG 26 HD3 ARG 26 10.283 12.452 5.371 195 HE ARG 26 HE ARG 26 9.003 14.796 6.312 196 HH11 ARG 26 HH11 ARG 26 12.234 13.491 5.765 197 HH12 ARG 26 HH12 ARG 26 12.951 15.058 5.543 198 HH21 ARG 26 HH21 ARG 26 9.963 16.828 6.003 199 HH22 ARG 26 HH22 ARG 26 11.662 16.943 5.678 200 H GLN 27 H GLN 27 10.858 8.511 6.202 201 HA GLN 27 HA GLN 27 9.596 5.959 5.755 202 HB2 GLN 27 HB2 GLN 27 12.179 6.679 7.226 203 HB3 GLN 27 HB3 GLN 27 11.600 5.035 6.997 204 HG2 GLN 27 HG2 GLN 27 13.106 5.182 5.272 205 HG3 GLN 27 HG3 GLN 27 11.630 5.664 4.450 206 HE21 GLN 27 HE21 GLN 27 14.395 6.213 3.766 207 HE22 GLN 27 HE22 GLN 27 14.569 7.929 3.701 208 H LEU 28 H LEU 28 7.787 5.717 6.972 209 HA LEU 28 HA LEU 28 7.599 6.638 9.713 210 HB2 LEU 28 HB2 LEU 28 5.621 4.901 8.192 211 HB3 LEU 28 HB3 LEU 28 5.298 5.899 9.598 212 HG LEU 28 HG LEU 28 5.946 6.906 6.799 213 HD11 LEU 28 HD11 LEU 28 3.623 7.662 6.767 214 HD12 LEU 28 HD12 LEU 28 3.356 6.973 8.370 215 HD13 LEU 28 HD13 LEU 28 3.717 5.918 7.002 216 HD21 LEU 28 HD21 LEU 28 6.848 8.458 8.453 217 HD22 LEU 28 HD22 LEU 28 5.301 8.498 9.301 218 HD23 LEU 28 HD23 LEU 28 5.432 9.160 7.670 219 H THR 29 H THR 29 7.537 5.312 11.537 220 HA THR 29 HA THR 29 8.792 2.706 11.399 221 HB THR 29 HB THR 29 8.574 2.730 13.880 222 HG1 THR 29 HG1 THR 29 7.678 4.813 14.740 223 HG21 THR 29 HG21 THR 29 10.470 3.956 12.851 224 HG22 THR 29 HG22 THR 29 9.941 4.720 14.350 225 HG23 THR 29 HG23 THR 29 9.487 5.421 12.795 226 H ALA 30 H ALA 30 7.786 0.787 12.376 227 HA ALA 30 HA ALA 30 5.204 0.104 11.564 228 HB1 ALA 30 HB1 ALA 30 6.934 -1.568 12.109 229 HB2 ALA 30 HB2 ALA 30 5.454 -1.891 13.008 230 HB3 ALA 30 HB3 ALA 30 6.836 -1.145 13.818 231 H ASP 31 H ASP 31 6.381 1.454 14.587 232 HA ASP 31 HA ASP 31 4.095 1.250 16.175 233 HB2 ASP 31 HB2 ASP 31 6.206 3.463 16.262 234 HB3 ASP 31 HB3 ASP 31 5.135 2.989 17.577 235 H TYR 32 H TYR 32 5.228 3.975 14.119 236 HA TYR 32 HA TYR 32 2.987 5.665 14.712 237 HB2 TYR 32 HB2 TYR 32 5.080 6.735 14.054 238 HB3 TYR 32 HB3 TYR 32 5.117 5.867 12.523 239 HD1 TYR 32 HD2 TYR 32 3.285 8.506 14.436 240 HD2 TYR 32 HD1 TYR 32 3.949 6.757 10.591 241 HE1 TYR 32 HE2 TYR 32 2.044 10.343 13.373 242 HE2 TYR 32 HE1 TYR 32 2.708 8.595 9.538 243 HH TYR 32 HH TYR 32 1.920 11.438 11.131 244 H PHE 33 H PHE 33 3.872 3.546 11.941 245 HA PHE 33 HA PHE 33 1.786 4.144 10.232 246 HB2 PHE 33 HB2 PHE 33 3.623 2.671 9.533 247 HB3 PHE 33 HB3 PHE 33 3.126 1.435 10.685 248 HD1 PHE 33 HD2 PHE 33 2.245 3.120 7.506 249 HD2 PHE 33 HD1 PHE 33 1.252 -0.073 10.168 250 HE1 PHE 33 HE2 PHE 33 0.736 2.162 5.822 251 HE2 PHE 33 HE1 PHE 33 -0.262 -1.007 8.475 252 HZ PHE 33 HZ PHE 33 -0.527 0.113 6.302 253 H GLU 34 H GLU 34 1.902 1.521 12.666 254 HA GLU 34 HA GLU 34 -0.728 0.587 12.386 255 HB2 GLU 34 HB2 GLU 34 1.127 -0.666 13.483 256 HB3 GLU 34 HB3 GLU 34 1.079 0.454 14.840 257 HG2 GLU 34 HG2 GLU 34 -1.180 -0.288 15.415 258 HG3 GLU 34 HG3 GLU 34 -1.210 -1.354 14.009 259 H LYS 35 H LYS 35 0.644 3.059 14.503 260 HA LYS 35 HA LYS 35 -1.523 3.784 16.106 261 HB2 LYS 35 HB2 LYS 35 0.589 4.734 16.638 262 HB3 LYS 35 HB3 LYS 35 0.887 5.230 14.981 263 HG2 LYS 35 HG2 LYS 35 0.581 7.202 16.290 264 HG3 LYS 35 HG3 LYS 35 -0.842 7.022 15.261 265 HD2 LYS 35 HD2 LYS 35 -2.161 6.208 17.139 266 HD3 LYS 35 HD3 LYS 35 -0.735 6.178 18.186 267 HE2 LYS 35 HE2 LYS 35 -2.030 8.157 18.697 268 HE3 LYS 35 HE3 LYS 35 -0.540 8.657 17.888 269 HZ1 LYS 35 HZ1 LYS 35 -1.784 8.887 15.833 270 HZ2 LYS 35 HZ2 LYS 35 -2.467 9.843 17.043 271 HZ3 LYS 35 HZ3 LYS 35 -3.207 8.391 16.597 272 H THR 36 H THR 36 -0.584 5.080 12.931 273 HA THR 36 HA THR 36 -2.763 6.934 12.752 274 HB THR 36 HB THR 36 -0.855 6.003 10.554 275 HG1 THR 36 HG1 THR 36 0.617 6.976 11.725 276 HG21 THR 36 HG21 THR 36 -2.759 7.333 9.694 277 HG22 THR 36 HG22 THR 36 -1.249 8.237 9.577 278 HG23 THR 36 HG23 THR 36 -2.395 8.605 10.865 279 H TRP 37 H TRP 37 -2.045 3.746 11.427 280 HA TRP 37 HA TRP 37 -4.067 3.421 9.536 281 HB2 TRP 37 HB2 TRP 37 -2.107 1.959 9.633 282 HB3 TRP 37 HB3 TRP 37 -2.547 1.397 11.243 283 HD1 TRP 37 HD1 TRP 37 -4.400 -0.532 11.390 284 HE1 TRP 37 HE1 TRP 37 -5.393 -2.129 9.644 285 HE3 TRP 37 HE3 TRP 37 -2.849 1.836 7.140 286 HZ2 TRP 37 HZ2 TRP 37 -5.478 -2.387 6.843 287 HZ3 TRP 37 HZ3 TRP 37 -3.428 0.853 4.962 288 HH2 TRP 37 HH2 TRP 37 -4.720 -1.209 4.821 289 H LEU 38 H LEU 38 -3.920 2.385 12.960 290 HA LEU 38 HA LEU 38 -6.606 1.398 13.049 291 HB2 LEU 38 HB2 LEU 38 -4.612 2.031 15.268 292 HB3 LEU 38 HB3 LEU 38 -6.173 1.276 15.548 293 HG LEU 38 HG LEU 38 -3.889 0.085 13.925 294 HD11 LEU 38 HD11 LEU 38 -5.005 -0.756 16.622 295 HD12 LEU 38 HD12 LEU 38 -3.457 0.044 16.334 296 HD13 LEU 38 HD13 LEU 38 -3.731 -1.582 15.717 297 HD21 LEU 38 HD21 LEU 38 -6.023 -0.584 12.940 298 HD22 LEU 38 HD22 LEU 38 -6.625 -1.105 14.515 299 HD23 LEU 38 HD23 LEU 38 -5.276 -1.955 13.758 300 H SER 39 H SER 39 -5.129 4.523 13.574 301 HA SER 39 HA SER 39 -7.372 5.684 14.953 302 HB2 SER 39 HB2 SER 39 -5.012 6.547 15.114 303 HB3 SER 39 HB3 SER 39 -5.147 7.138 13.455 304 HG SER 39 HG SER 39 -7.256 7.921 15.004 305 H LEU 40 H LEU 40 -6.768 4.969 11.598 306 HA LEU 40 HA LEU 40 -8.631 7.051 10.616 307 HB2 LEU 40 HB2 LEU 40 -6.692 5.206 9.168 308 HB3 LEU 40 HB3 LEU 40 -7.757 6.340 8.348 309 HG LEU 40 HG LEU 40 -5.606 7.155 10.330 310 HD11 LEU 40 HD11 LEU 40 -4.322 7.904 8.386 311 HD12 LEU 40 HD12 LEU 40 -5.538 7.209 7.310 312 HD13 LEU 40 HD13 LEU 40 -4.587 6.161 8.366 313 HD21 LEU 40 HD21 LEU 40 -7.438 8.763 10.206 314 HD22 LEU 40 HD22 LEU 40 -7.291 8.823 8.450 315 HD23 LEU 40 HD23 LEU 40 -5.979 9.424 9.467 316 H LYS 41 H LYS 41 -10.140 6.412 8.914 317 HA LYS 41 HA LYS 41 -11.414 3.777 9.326 318 HB2 LYS 41 HB2 LYS 41 -12.405 6.243 7.810 319 HB3 LYS 41 HB3 LYS 41 -13.338 4.780 8.117 320 HG2 LYS 41 HG2 LYS 41 -13.188 5.250 10.573 321 HG3 LYS 41 HG3 LYS 41 -12.342 6.752 10.191 322 HD2 LYS 41 HD2 LYS 41 -14.664 7.280 10.609 323 HD3 LYS 41 HD3 LYS 41 -14.350 7.498 8.889 324 HE2 LYS 41 HE2 LYS 41 -15.382 5.299 8.431 325 HE3 LYS 41 HE3 LYS 41 -15.696 5.093 10.154 326 HZ1 LYS 41 HZ1 LYS 41 -17.661 5.861 9.019 327 HZ2 LYS 41 HZ2 LYS 41 -16.852 7.213 8.410 328 HZ3 LYS 41 HZ3 LYS 41 -17.123 7.065 10.073 329 H VAL 42 H VAL 42 -11.923 2.488 7.470 330 HA VAL 42 HA VAL 42 -9.867 2.319 5.505 331 HB VAL 42 HB VAL 42 -12.538 0.842 5.682 332 HG11 VAL 42 HG11 VAL 42 -11.710 0.797 3.352 333 HG12 VAL 42 HG12 VAL 42 -11.595 -0.802 4.083 334 HG13 VAL 42 HG13 VAL 42 -10.147 0.192 3.903 335 HG21 VAL 42 HG21 VAL 42 -9.734 -0.068 6.471 336 HG22 VAL 42 HG22 VAL 42 -11.216 -1.021 6.623 337 HG23 VAL 42 HG23 VAL 42 -11.001 0.437 7.594 338 H ALA 43 H ALA 43 -9.695 3.421 3.649 339 HA ALA 43 HA ALA 43 -11.842 5.251 2.854 340 HB1 ALA 43 HB1 ALA 43 -8.965 4.992 1.889 341 HB2 ALA 43 HB2 ALA 43 -9.560 6.128 3.102 342 HB3 ALA 43 HB3 ALA 43 -10.100 6.266 1.430 343 H HIS 44 H HIS 44 -9.864 2.631 1.552 344 HA HIS 44 HA HIS 44 -12.051 1.770 -0.180 345 HB2 HIS 44 HB2 HIS 44 -10.608 3.239 -1.566 346 HB3 HIS 44 HB3 HIS 44 -9.194 2.276 -1.154 347 HD2 HIS 44 HD2 HIS 44 -8.762 0.120 -2.793 348 HE1 HIS 44 HE1 HIS 44 -12.376 0.427 -4.964 349 HE2 HIS 44 HE2 HIS 44 -10.044 -0.543 -4.944 350 H GLN 45 H GLN 45 -12.142 -0.442 -0.437 351 HA GLN 45 HA GLN 45 -9.817 -2.121 0.247 352 HB2 GLN 45 HB2 GLN 45 -11.254 -2.261 2.227 353 HB3 GLN 45 HB3 GLN 45 -12.675 -2.594 1.242 354 HG2 GLN 45 HG2 GLN 45 -11.752 -4.766 0.573 355 HG3 GLN 45 HG3 GLN 45 -10.253 -4.418 1.435 356 HE21 GLN 45 HE21 GLN 45 -10.218 -4.571 3.680 357 HE22 GLN 45 HE22 GLN 45 -11.481 -5.323 4.589 358 H GLN 46 H GLN 46 -9.364 -3.392 -1.425 359 HA GLN 46 HA GLN 46 -11.472 -4.369 -3.260 360 HB2 GLN 46 HB2 GLN 46 -10.430 -2.432 -4.351 361 HB3 GLN 46 HB3 GLN 46 -8.816 -3.046 -4.001 362 HG2 GLN 46 HG2 GLN 46 -9.285 -5.003 -5.498 363 HG3 GLN 46 HG3 GLN 46 -10.831 -4.265 -5.919 364 HE21 GLN 46 HE21 GLN 46 -7.345 -4.019 -6.242 365 HE22 GLN 46 HE22 GLN 46 -7.353 -2.875 -7.540 366 H VAL 47 H VAL 47 -11.290 -6.529 -3.558 367 HA VAL 47 HA VAL 47 -8.716 -7.920 -3.037 368 HB VAL 47 HB VAL 47 -11.534 -9.125 -3.196 369 HG11 VAL 47 HG11 VAL 47 -9.764 -10.725 -3.809 370 HG12 VAL 47 HG12 VAL 47 -10.508 -11.165 -2.272 371 HG13 VAL 47 HG13 VAL 47 -8.922 -10.392 -2.292 372 HG21 VAL 47 HG21 VAL 47 -11.436 -9.362 -0.741 373 HG22 VAL 47 HG22 VAL 47 -11.346 -7.667 -1.222 374 HG23 VAL 47 HG23 VAL 47 -9.886 -8.517 -0.713 375 H LEU 48 H LEU 48 -7.787 -9.077 -4.688 376 HA LEU 48 HA LEU 48 -9.084 -9.127 -7.357 377 HB2 LEU 48 HB2 LEU 48 -6.147 -8.557 -6.711 378 HB3 LEU 48 HB3 LEU 48 -6.781 -8.800 -8.331 379 HG LEU 48 HG LEU 48 -7.510 -6.498 -6.480 380 HD11 LEU 48 HD11 LEU 48 -5.811 -6.507 -9.000 381 HD12 LEU 48 HD12 LEU 48 -5.235 -6.263 -7.348 382 HD13 LEU 48 HD13 LEU 48 -6.301 -5.070 -8.093 383 HD21 LEU 48 HD21 LEU 48 -8.426 -7.046 -9.326 384 HD22 LEU 48 HD22 LEU 48 -8.750 -5.572 -8.410 385 HD23 LEU 48 HD23 LEU 48 -9.427 -7.107 -7.871 386 HA PRO 49 HA PRO 49 -8.133 -13.554 -6.988 387 HB2 PRO 49 HB2 PRO 49 -8.583 -14.310 -9.598 388 HB3 PRO 49 HB3 PRO 49 -9.903 -13.922 -8.481 389 HG2 PRO 49 HG2 PRO 49 -8.670 -12.191 -10.596 390 HG3 PRO 49 HG3 PRO 49 -10.387 -12.420 -10.197 391 HD2 PRO 49 HD2 PRO 49 -8.982 -10.253 -9.335 392 HD3 PRO 49 HD3 PRO 49 -10.305 -10.970 -8.382 393 H TRP 50 H TRP 50 -5.928 -13.480 -6.504 394 HA TRP 50 HA TRP 50 -3.981 -12.610 -8.467 395 HB2 TRP 50 HB2 TRP 50 -3.673 -11.961 -6.121 396 HB3 TRP 50 HB3 TRP 50 -3.592 -13.655 -5.633 397 HD1 TRP 50 HD1 TRP 50 -1.252 -14.916 -5.987 398 HE1 TRP 50 HE1 TRP 50 1.073 -14.160 -6.748 399 HE3 TRP 50 HE3 TRP 50 -2.412 -10.225 -7.715 400 HZ2 TRP 50 HZ2 TRP 50 2.284 -11.892 -7.888 401 HZ3 TRP 50 HZ3 TRP 50 -0.596 -8.834 -8.623 402 HH2 TRP 50 HH2 TRP 50 1.701 -9.648 -8.707 403 H ARG 51 H ARG 51 -3.440 -14.008 -10.038 404 HA ARG 51 HA ARG 51 -2.305 -16.615 -9.310 405 HB2 ARG 51 HB2 ARG 51 -4.675 -16.877 -10.250 406 HB3 ARG 51 HB3 ARG 51 -4.083 -16.234 -11.767 407 HG2 ARG 51 HG2 ARG 51 -2.836 -18.675 -10.507 408 HG3 ARG 51 HG3 ARG 51 -4.296 -18.804 -11.481 409 HD2 ARG 51 HD2 ARG 51 -3.094 -17.866 -13.416 410 HD3 ARG 51 HD3 ARG 51 -1.635 -17.688 -12.437 411 HE ARG 51 HE ARG 51 -2.438 -20.363 -12.337 412 HH11 ARG 51 HH11 ARG 51 -1.114 -18.097 -14.694 413 HH12 ARG 51 HH12 ARG 51 -0.342 -19.343 -15.623 414 HH21 ARG 51 HH21 ARG 51 -1.463 -21.968 -13.585 415 HH22 ARG 51 HH22 ARG 51 -0.543 -21.534 -14.993 416 H GLY 52 H GLY 52 -0.270 -16.747 -10.087 417 HA2 GLY 52 HA2 GLY 52 0.898 -16.370 -12.449 418 HA3 GLY 52 HA3 GLY 52 0.741 -14.691 -11.927 419 H GLU 53 H GLU 53 3.188 -15.096 -12.273 420 HA GLU 53 HA GLU 53 4.678 -16.337 -10.190 421 HB2 GLU 53 HB2 GLU 53 5.368 -14.304 -12.336 422 HB3 GLU 53 HB3 GLU 53 6.536 -14.710 -11.088 423 HG2 GLU 53 HG2 GLU 53 5.274 -16.705 -12.985 424 HG3 GLU 53 HG3 GLU 53 6.878 -16.001 -13.173 425 H PHE 54 H PHE 54 4.098 -15.744 -8.177 426 HA PHE 54 HA PHE 54 3.749 -12.998 -7.352 427 HB2 PHE 54 HB2 PHE 54 2.436 -14.800 -6.313 428 HB3 PHE 54 HB3 PHE 54 3.908 -15.580 -5.744 429 HD1 PHE 54 HD2 PHE 54 2.489 -12.098 -5.640 430 HD2 PHE 54 HD1 PHE 54 4.239 -15.331 -3.438 431 HE1 PHE 54 HE2 PHE 54 2.362 -10.766 -3.583 432 HE2 PHE 54 HE1 PHE 54 4.109 -13.978 -1.387 433 HZ PHE 54 HZ PHE 54 3.177 -11.714 -1.480 434 H HIS 55 H HIS 55 5.504 -11.726 -7.171 435 HA HIS 55 HA HIS 55 7.889 -12.742 -5.733 436 HB2 HIS 55 HB2 HIS 55 7.850 -11.145 -8.324 437 HB3 HIS 55 HB3 HIS 55 9.268 -11.219 -7.290 438 HD1 HIS 55 HD1 HIS 55 10.908 -12.940 -8.023 439 HD2 HIS 55 HD2 HIS 55 7.029 -13.984 -9.086 440 HE1 HIS 55 HE1 HIS 55 11.102 -15.095 -9.294 441 HE2 HIS 55 HE2 HIS 55 8.773 -15.590 -10.093 442 HA PRO 56 HA PRO 56 6.492 -9.010 -3.338 443 HB2 PRO 56 HB2 PRO 56 8.399 -10.315 -1.412 444 HB3 PRO 56 HB3 PRO 56 6.768 -9.670 -1.135 445 HG2 PRO 56 HG2 PRO 56 7.165 -12.291 -1.239 446 HG3 PRO 56 HG3 PRO 56 5.715 -11.565 -1.969 447 HD2 PRO 56 HD2 PRO 56 8.211 -12.564 -3.326 448 HD3 PRO 56 HD3 PRO 56 6.509 -12.714 -3.827 449 H ASP 57 H ASP 57 9.726 -10.309 -3.895 450 HA ASP 57 HA ASP 57 11.219 -7.993 -3.188 451 HB2 ASP 57 HB2 ASP 57 11.927 -10.284 -5.075 452 HB3 ASP 57 HB3 ASP 57 13.056 -9.000 -4.662 453 H THR 58 H THR 58 9.953 -9.160 -6.312 454 HA THR 58 HA THR 58 10.845 -7.042 -7.969 455 HB THR 58 HB THR 58 8.416 -8.855 -8.306 456 HG1 THR 58 HG1 THR 58 10.835 -9.169 -9.700 457 HG21 THR 58 HG21 THR 58 8.559 -8.309 -10.726 458 HG22 THR 58 HG22 THR 58 9.843 -7.150 -10.390 459 HG23 THR 58 HG23 THR 58 8.217 -6.861 -9.770 460 H LEU 59 H LEU 59 7.879 -7.611 -6.177 461 HA LEU 59 HA LEU 59 6.328 -5.414 -6.885 462 HB2 LEU 59 HB2 LEU 59 5.443 -7.383 -5.737 463 HB3 LEU 59 HB3 LEU 59 6.417 -7.037 -4.320 464 HG LEU 59 HG LEU 59 5.053 -5.036 -3.834 465 HD11 LEU 59 HD11 LEU 59 4.440 -4.355 -6.115 466 HD12 LEU 59 HD12 LEU 59 3.026 -4.493 -5.076 467 HD13 LEU 59 HD13 LEU 59 3.374 -5.755 -6.258 468 HD21 LEU 59 HD21 LEU 59 4.380 -7.167 -2.879 469 HD22 LEU 59 HD22 LEU 59 3.393 -7.524 -4.300 470 HD23 LEU 59 HD23 LEU 59 2.967 -6.179 -3.241 471 H GLN 60 H GLN 60 8.623 -5.848 -4.203 472 HA GLN 60 HA GLN 60 8.107 -3.377 -2.897 473 HB2 GLN 60 HB2 GLN 60 9.058 -5.485 -1.863 474 HB3 GLN 60 HB3 GLN 60 10.587 -5.155 -2.664 475 HG2 GLN 60 HG2 GLN 60 9.336 -3.157 -0.762 476 HG3 GLN 60 HG3 GLN 60 10.319 -4.490 -0.169 477 HE21 GLN 60 HE21 GLN 60 10.752 -1.538 -0.100 478 HE22 GLN 60 HE22 GLN 60 12.303 -1.295 -0.821 479 H MET 61 H MET 61 10.653 -4.445 -5.172 480 HA MET 61 HA MET 61 12.126 -2.043 -5.193 481 HB2 MET 61 HB2 MET 61 11.927 -4.288 -7.244 482 HB3 MET 61 HB3 MET 61 13.017 -2.919 -7.434 483 HG2 MET 61 HG2 MET 61 14.127 -3.523 -5.308 484 HG3 MET 61 HG3 MET 61 13.064 -4.924 -5.172 485 HE1 MET 61 HE1 MET 61 13.229 -7.084 -6.676 486 HE2 MET 61 HE2 MET 61 14.264 -7.212 -8.099 487 HE3 MET 61 HE3 MET 61 12.887 -6.112 -8.109 488 H ALA 62 H ALA 62 9.309 -3.101 -7.072 489 HA ALA 62 HA ALA 62 9.308 -0.902 -8.911 490 HB1 ALA 62 HB1 ALA 62 7.043 -1.698 -9.508 491 HB2 ALA 62 HB2 ALA 62 7.066 -2.798 -8.126 492 HB3 ALA 62 HB3 ALA 62 8.201 -3.027 -9.457 493 H LEU 63 H LEU 63 7.751 -1.608 -5.809 494 HA LEU 63 HA LEU 63 6.052 0.618 -5.567 495 HB2 LEU 63 HB2 LEU 63 7.443 -1.099 -3.467 496 HB3 LEU 63 HB3 LEU 63 6.312 0.172 -3.032 497 HG LEU 63 HG LEU 63 5.572 -2.200 -4.788 498 HD11 LEU 63 HD11 LEU 63 6.179 -3.007 -2.566 499 HD12 LEU 63 HD12 LEU 63 4.446 -3.158 -2.833 500 HD13 LEU 63 HD13 LEU 63 5.071 -1.854 -1.820 501 HD21 LEU 63 HD21 LEU 63 3.812 -0.134 -3.422 502 HD22 LEU 63 HD22 LEU 63 3.250 -1.531 -4.346 503 HD23 LEU 63 HD23 LEU 63 4.142 -0.247 -5.155 504 H GLN 64 H GLN 64 9.411 0.111 -4.525 505 HA GLN 64 HA GLN 64 9.966 2.603 -3.462 506 HB2 GLN 64 HB2 GLN 64 11.446 0.628 -3.241 507 HB3 GLN 64 HB3 GLN 64 11.850 0.719 -4.953 508 HG2 GLN 64 HG2 GLN 64 13.643 1.644 -3.517 509 HG3 GLN 64 HG3 GLN 64 12.980 2.850 -4.617 510 HE21 GLN 64 HE21 GLN 64 13.613 4.606 -3.400 511 HE22 GLN 64 HE22 GLN 64 12.940 4.994 -1.859 512 H VAL 65 H VAL 65 10.009 1.587 -6.929 513 HA VAL 65 HA VAL 65 11.212 3.923 -7.986 514 HB VAL 65 HB VAL 65 9.226 2.006 -9.310 515 HG11 VAL 65 HG11 VAL 65 11.049 4.060 -10.631 516 HG12 VAL 65 HG12 VAL 65 9.287 4.130 -10.551 517 HG13 VAL 65 HG13 VAL 65 10.077 2.858 -11.481 518 HG21 VAL 65 HG21 VAL 65 11.223 0.951 -10.325 519 HG22 VAL 65 HG22 VAL 65 11.272 0.868 -8.564 520 HG23 VAL 65 HG23 VAL 65 12.266 2.048 -9.417 521 H VAL 66 H VAL 66 7.907 3.166 -7.051 522 HA VAL 66 HA VAL 66 6.869 5.690 -8.192 523 HB VAL 66 HB VAL 66 4.606 4.766 -7.855 524 HG11 VAL 66 HG11 VAL 66 5.727 4.279 -9.995 525 HG12 VAL 66 HG12 VAL 66 4.685 2.936 -9.523 526 HG13 VAL 66 HG13 VAL 66 6.432 2.811 -9.310 527 HG21 VAL 66 HG21 VAL 66 5.044 3.399 -5.844 528 HG22 VAL 66 HG22 VAL 66 5.969 2.260 -6.816 529 HG23 VAL 66 HG23 VAL 66 4.236 2.453 -7.096 530 H ASN 67 H ASN 67 8.458 5.086 -5.579 531 HA ASN 67 HA ASN 67 8.813 6.229 -3.667 532 HB2 ASN 67 HB2 ASN 67 6.680 8.097 -4.785 533 HB3 ASN 67 HB3 ASN 67 7.627 8.449 -3.341 534 HD21 ASN 67 HD21 ASN 67 8.562 10.285 -4.273 535 HD22 ASN 67 HD22 ASN 67 9.737 10.207 -5.532 536 H ILE 68 H ILE 68 7.072 4.041 -3.588 537 HA ILE 68 HA ILE 68 5.331 4.629 -1.294 538 HB ILE 68 HB ILE 68 5.729 2.017 -2.825 539 HG12 ILE 68 HG12 ILE 68 4.624 3.672 -4.261 540 HG13 ILE 68 HG13 ILE 68 3.465 2.437 -3.789 541 HG21 ILE 68 HG21 ILE 68 3.706 2.716 -0.664 542 HG22 ILE 68 HG22 ILE 68 5.059 1.591 -0.516 543 HG23 ILE 68 HG23 ILE 68 3.724 1.223 -1.606 544 HD11 ILE 68 HD11 ILE 68 2.448 4.604 -3.765 545 HD12 ILE 68 HD12 ILE 68 3.687 5.225 -2.679 546 HD13 ILE 68 HD13 ILE 68 2.549 3.998 -2.112 547 H GLN 69 H GLN 69 6.525 4.759 0.522 548 HA GLN 69 HA GLN 69 8.927 3.276 1.036 549 HB2 GLN 69 HB2 GLN 69 8.288 5.590 1.996 550 HB3 GLN 69 HB3 GLN 69 7.197 4.749 3.085 551 HG2 GLN 69 HG2 GLN 69 10.165 4.168 2.964 552 HG3 GLN 69 HG3 GLN 69 9.489 5.408 4.000 553 HE21 GLN 69 HE21 GLN 69 7.169 3.933 4.860 554 HE22 GLN 69 HE22 GLN 69 7.733 2.661 5.876 555 H THR 70 H THR 70 9.029 1.205 1.874 556 HA THR 70 HA THR 70 6.487 -0.141 2.526 557 HB THR 70 HB THR 70 9.263 -1.332 2.029 558 HG1 THR 70 HG1 THR 70 8.157 -0.429 0.155 559 HG21 THR 70 HG21 THR 70 7.906 -2.779 3.523 560 HG22 THR 70 HG22 THR 70 8.112 -3.515 1.932 561 HG23 THR 70 HG23 THR 70 6.583 -2.743 2.353 562 H ILE 71 H ILE 71 5.949 -0.094 4.612 563 HA ILE 71 HA ILE 71 7.663 0.464 6.818 564 HB ILE 71 HB ILE 71 4.927 -0.910 6.760 565 HG12 ILE 71 HG12 ILE 71 4.974 1.380 5.687 566 HG13 ILE 71 HG13 ILE 71 3.906 1.255 7.079 567 HG21 ILE 71 HG21 ILE 71 6.348 0.422 9.108 568 HG22 ILE 71 HG22 ILE 71 6.031 -1.304 8.909 569 HG23 ILE 71 HG23 ILE 71 4.687 -0.185 9.126 570 HD11 ILE 71 HD11 ILE 71 5.592 2.350 8.459 571 HD12 ILE 71 HD12 ILE 71 5.106 3.335 7.082 572 HD13 ILE 71 HD13 ILE 71 6.648 2.480 7.049 573 H ALA 72 H ALA 72 6.016 -2.475 5.710 574 HA ALA 72 HA ALA 72 8.128 -4.248 6.656 575 HB1 ALA 72 HB1 ALA 72 5.294 -4.392 7.793 576 HB2 ALA 72 HB2 ALA 72 6.745 -3.927 8.683 577 HB3 ALA 72 HB3 ALA 72 6.579 -5.573 8.077 578 H MET 73 H MET 73 7.805 -6.409 5.847 579 HA MET 73 HA MET 73 5.612 -7.022 4.071 580 HB2 MET 73 HB2 MET 73 7.088 -5.666 2.583 581 HB3 MET 73 HB3 MET 73 8.438 -6.736 2.929 582 HG2 MET 73 HG2 MET 73 7.383 -8.559 1.769 583 HG3 MET 73 HG3 MET 73 5.875 -7.664 1.617 584 HE1 MET 73 HE1 MET 73 6.752 -4.940 -1.038 585 HE2 MET 73 HE2 MET 73 6.763 -4.765 0.717 586 HE3 MET 73 HE3 MET 73 5.472 -5.674 -0.071 587 H SER 74 H SER 74 5.326 -9.227 3.959 588 HA SER 74 HA SER 74 6.922 -10.906 5.668 589 HB2 SER 74 HB2 SER 74 4.598 -11.603 3.814 590 HB3 SER 74 HB3 SER 74 5.315 -12.703 4.996 591 HG SER 74 HG SER 74 4.444 -10.180 5.832 592 H ARG 75 H ARG 75 7.490 -13.159 4.793 593 HA ARG 75 HA ARG 75 9.615 -12.771 2.880 594 HB2 ARG 75 HB2 ARG 75 8.726 -15.180 4.535 595 HB3 ARG 75 HB3 ARG 75 10.147 -15.190 3.490 596 HG2 ARG 75 HG2 ARG 75 11.155 -13.373 4.817 597 HG3 ARG 75 HG3 ARG 75 9.731 -13.325 5.856 598 HD2 ARG 75 HD2 ARG 75 10.218 -15.534 6.726 599 HD3 ARG 75 HD3 ARG 75 11.510 -15.767 5.544 600 HE ARG 75 HE ARG 75 12.798 -14.070 6.694 601 HH11 ARG 75 HH11 ARG 75 10.019 -15.249 8.530 602 HH12 ARG 75 HH12 ARG 75 10.682 -14.748 10.055 603 HH21 ARG 75 HH21 ARG 75 13.648 -13.454 8.687 604 HH22 ARG 75 HH22 ARG 75 12.739 -13.732 10.145 605 H ALA 76 H ALA 76 9.837 -13.739 0.911 606 HA ALA 76 HA ALA 76 7.592 -14.141 -0.728 607 HB1 ALA 76 HB1 ALA 76 10.494 -14.924 -1.226 608 HB2 ALA 76 HB2 ALA 76 9.767 -13.362 -1.605 609 HB3 ALA 76 HB3 ALA 76 9.237 -14.809 -2.463 610 H GLY 77 H GLY 77 6.477 -15.984 -1.338 611 HA2 GLY 77 HA2 GLY 77 6.001 -18.222 -1.560 612 HA3 GLY 77 HA3 GLY 77 7.437 -18.653 -0.648 613 H SER 78 H SER 78 6.412 -16.560 1.434 614 HA SER 78 HA SER 78 4.975 -18.534 3.041 615 HB2 SER 78 HB2 SER 78 6.956 -17.320 3.949 616 HB3 SER 78 HB3 SER 78 6.096 -15.787 3.769 617 HG SER 78 HG SER 78 6.007 -17.514 5.809 618 H ARG 79 H ARG 79 2.806 -18.551 3.023 619 HA ARG 79 HA ARG 79 1.265 -16.013 2.955 620 HB2 ARG 79 HB2 ARG 79 0.448 -18.795 1.988 621 HB3 ARG 79 HB3 ARG 79 -0.713 -17.501 2.259 622 HG2 ARG 79 HG2 ARG 79 -0.310 -17.529 -0.070 623 HG3 ARG 79 HG3 ARG 79 0.567 -16.128 0.544 624 HD2 ARG 79 HD2 ARG 79 2.677 -17.351 0.418 625 HD3 ARG 79 HD3 ARG 79 1.831 -18.828 -0.059 626 HE ARG 79 HE ARG 79 1.291 -16.678 -1.859 627 HH11 ARG 79 HH11 ARG 79 3.695 -19.149 -1.070 628 HH12 ARG 79 HH12 ARG 79 4.354 -19.169 -2.690 629 HH21 ARG 79 HH21 ARG 79 2.172 -16.735 -3.945 630 HH22 ARG 79 HH22 ARG 79 3.499 -17.815 -4.302 631 HA PRO 80 HA PRO 80 -1.104 -15.488 3.539 632 HB2 PRO 80 HB2 PRO 80 -2.015 -13.898 5.572 633 HB3 PRO 80 HB3 PRO 80 -2.812 -15.414 5.116 634 HG2 PRO 80 HG2 PRO 80 -0.891 -14.914 7.363 635 HG3 PRO 80 HG3 PRO 80 -2.420 -15.824 7.374 636 HD2 PRO 80 HD2 PRO 80 -0.002 -17.064 7.191 637 HD3 PRO 80 HD3 PRO 80 -1.465 -17.712 6.410 638 H TRP 81 H TRP 81 0.340 -14.311 2.514 639 HA TRP 81 HA TRP 81 2.577 -12.996 3.680 640 HB2 TRP 81 HB2 TRP 81 2.632 -13.880 1.388 641 HB3 TRP 81 HB3 TRP 81 1.339 -12.795 0.902 642 HD1 TRP 81 HD1 TRP 81 5.098 -12.755 1.774 643 HE1 TRP 81 HE1 TRP 81 6.115 -10.575 0.872 644 HE3 TRP 81 HE3 TRP 81 0.811 -10.427 0.283 645 HZ2 TRP 81 HZ2 TRP 81 5.218 -8.208 -0.366 646 HZ3 TRP 81 HZ3 TRP 81 0.975 -8.223 -0.769 647 HH2 TRP 81 HH2 TRP 81 3.132 -7.130 -1.081 648 H LYS 82 H LYS 82 2.368 -11.194 4.875 649 HA LYS 82 HA LYS 82 0.293 -9.177 4.256 650 HB2 LYS 82 HB2 LYS 82 0.001 -10.063 6.458 651 HB3 LYS 82 HB3 LYS 82 1.726 -10.021 6.803 652 HG2 LYS 82 HG2 LYS 82 1.634 -7.536 6.856 653 HG3 LYS 82 HG3 LYS 82 -0.107 -7.602 6.573 654 HD2 LYS 82 HD2 LYS 82 1.233 -8.981 8.921 655 HD3 LYS 82 HD3 LYS 82 0.640 -7.325 9.003 656 HE2 LYS 82 HE2 LYS 82 -1.104 -9.709 8.301 657 HE3 LYS 82 HE3 LYS 82 -0.950 -9.030 9.923 658 HZ1 LYS 82 HZ1 LYS 82 -1.785 -6.917 9.098 659 HZ2 LYS 82 HZ2 LYS 82 -2.894 -8.148 8.782 660 HZ3 LYS 82 HZ3 LYS 82 -1.936 -7.542 7.536 661 H ALA 83 H ALA 83 0.929 -7.069 3.871 662 HA ALA 83 HA ALA 83 3.704 -6.241 4.324 663 HB1 ALA 83 HB1 ALA 83 3.670 -7.014 1.979 664 HB2 ALA 83 HB2 ALA 83 3.888 -5.267 2.067 665 HB3 ALA 83 HB3 ALA 83 2.313 -5.940 1.628 666 H TYR 84 H TYR 84 3.787 -4.226 5.056 667 HA TYR 84 HA TYR 84 1.389 -2.493 4.969 668 HB2 TYR 84 HB2 TYR 84 3.687 -2.624 6.978 669 HB3 TYR 84 HB3 TYR 84 2.454 -1.364 6.975 670 HD1 TYR 84 HD1 TYR 84 -0.037 -2.851 6.451 671 HD2 TYR 84 HD2 TYR 84 3.279 -3.897 8.940 672 HE1 TYR 84 HE1 TYR 84 -1.530 -4.177 7.873 673 HE2 TYR 84 HE2 TYR 84 1.779 -5.232 10.359 674 HH TYR 84 HH TYR 84 -0.623 -5.294 10.930 675 H LEU 85 H LEU 85 1.560 -0.891 3.607 676 HA LEU 85 HA LEU 85 4.164 0.217 2.781 677 HB2 LEU 85 HB2 LEU 85 1.490 0.283 1.319 678 HB3 LEU 85 HB3 LEU 85 3.020 0.888 0.714 679 HG LEU 85 HG LEU 85 2.284 -2.024 1.169 680 HD11 LEU 85 HD11 LEU 85 2.515 -2.191 -1.286 681 HD12 LEU 85 HD12 LEU 85 2.794 -0.452 -1.379 682 HD13 LEU 85 HD13 LEU 85 1.242 -1.071 -0.809 683 HD21 LEU 85 HD21 LEU 85 4.936 -0.875 0.218 684 HD22 LEU 85 HD22 LEU 85 4.497 -2.587 0.209 685 HD23 LEU 85 HD23 LEU 85 4.643 -1.725 1.739 686 H SER 86 H SER 86 4.317 2.472 2.615 687 HA SER 86 HA SER 86 2.074 4.180 3.420 688 HB2 SER 86 HB2 SER 86 3.573 5.447 4.970 689 HB3 SER 86 HB3 SER 86 3.331 3.784 5.504 690 HG SER 86 HG SER 86 5.412 3.672 3.962 691 H ALA 87 H ALA 87 2.243 6.273 2.579 692 HA ALA 87 HA ALA 87 4.625 7.174 1.177 693 HB1 ALA 87 HB1 ALA 87 1.964 6.856 -0.273 694 HB2 ALA 87 HB2 ALA 87 3.428 5.919 -0.580 695 HB3 ALA 87 HB3 ALA 87 3.403 7.649 -0.924 696 H GLN 88 H GLN 88 4.277 9.457 0.428 697 HA GLN 88 HA GLN 88 1.959 10.894 1.396 698 HB2 GLN 88 HB2 GLN 88 3.561 10.899 3.356 699 HB3 GLN 88 HB3 GLN 88 4.732 11.730 2.340 700 HG2 GLN 88 HG2 GLN 88 3.215 13.646 2.125 701 HG3 GLN 88 HG3 GLN 88 1.997 12.806 3.079 702 HE21 GLN 88 HE21 GLN 88 5.480 12.820 3.768 703 HE22 GLN 88 HE22 GLN 88 5.345 13.709 5.241 704 H ASP 89 H ASP 89 1.498 12.528 -0.017 705 HA ASP 89 HA ASP 89 3.357 12.849 -2.286 706 HB2 ASP 89 HB2 ASP 89 1.497 13.045 -3.671 707 HB3 ASP 89 HB3 ASP 89 0.835 12.002 -2.426 708 H ASP 90 H ASP 90 2.588 15.106 -3.431 709 HA ASP 90 HA ASP 90 4.035 17.085 -2.021 710 HB2 ASP 90 HB2 ASP 90 4.199 16.919 -4.413 711 HB3 ASP 90 HB3 ASP 90 2.467 17.076 -4.629 712 H THR 91 H THR 91 0.556 16.468 -2.356 713 HA THR 91 HA THR 91 -0.204 19.071 -1.288 714 HB THR 91 HB THR 91 -2.510 18.330 -1.355 715 HG1 THR 91 HG1 THR 91 -1.649 15.733 -2.086 716 HG21 THR 91 HG21 THR 91 -1.565 18.985 -3.531 717 HG22 THR 91 HG22 THR 91 -2.784 17.727 -3.724 718 HG23 THR 91 HG23 THR 91 -1.075 17.309 -3.825 719 H GLY 92 H GLY 92 0.949 16.144 0.019 720 HA2 GLY 92 HA2 GLY 92 1.702 16.002 2.228 721 HA3 GLY 92 HA3 GLY 92 0.517 17.195 2.734 722 H CYS 93 H CYS 93 -0.947 14.846 0.774 723 HA CYS 93 HA CYS 93 -2.400 13.684 2.936 724 HB2 CYS 93 HB2 CYS 93 -2.223 12.700 0.051 725 HB3 CYS 93 HB3 CYS 93 -3.487 12.303 1.224 726 HG CYS 93 HG CYS 93 -3.264 14.801 -0.861 727 H LEU 94 H LEU 94 -1.805 12.031 4.210 728 HA LEU 94 HA LEU 94 0.589 10.445 3.600 729 HB2 LEU 94 HB2 LEU 94 -0.054 11.578 5.922 730 HB3 LEU 94 HB3 LEU 94 -1.072 10.172 6.133 731 HG LEU 94 HG LEU 94 1.037 9.872 7.333 732 HD11 LEU 94 HD11 LEU 94 0.037 7.845 6.387 733 HD12 LEU 94 HD12 LEU 94 1.781 7.720 6.491 734 HD13 LEU 94 HD13 LEU 94 1.015 8.021 4.932 735 HD21 LEU 94 HD21 LEU 94 2.461 11.367 6.006 736 HD22 LEU 94 HD22 LEU 94 2.473 10.202 4.681 737 HD23 LEU 94 HD23 LEU 94 3.221 9.791 6.226 738 H PHE 95 H PHE 95 0.363 8.449 2.719 739 HA PHE 95 HA PHE 95 -2.283 7.135 2.561 740 HB2 PHE 95 HB2 PHE 95 0.196 6.814 0.804 741 HB3 PHE 95 HB3 PHE 95 -1.349 5.996 0.559 742 HD1 PHE 95 HD1 PHE 95 -3.394 7.340 -0.001 743 HD2 PHE 95 HD2 PHE 95 0.523 9.076 0.029 744 HE1 PHE 95 HE1 PHE 95 -4.218 9.244 -1.318 745 HE2 PHE 95 HE2 PHE 95 -0.318 10.972 -1.294 746 HZ PHE 95 HZ PHE 95 -2.684 11.051 -1.959 747 H LEU 96 H LEU 96 -2.506 5.288 3.610 748 HA LEU 96 HA LEU 96 -0.195 3.620 4.349 749 HB2 LEU 96 HB2 LEU 96 -2.814 3.918 5.886 750 HB3 LEU 96 HB3 LEU 96 -1.414 2.977 6.360 751 HG LEU 96 HG LEU 96 -0.196 5.383 6.289 752 HD11 LEU 96 HD11 LEU 96 -1.665 7.182 7.102 753 HD12 LEU 96 HD12 LEU 96 -3.070 6.143 6.858 754 HD13 LEU 96 HD13 LEU 96 -2.095 6.648 5.478 755 HD21 LEU 96 HD21 LEU 96 -0.281 3.924 8.242 756 HD22 LEU 96 HD22 LEU 96 -1.907 4.502 8.621 757 HD23 LEU 96 HD23 LEU 96 -0.534 5.612 8.683 758 H THR 97 H THR 97 -0.280 1.709 3.374 759 HA THR 97 HA THR 97 -2.848 0.616 2.376 760 HB THR 97 HB THR 97 -0.156 0.405 0.936 761 HG1 THR 97 HG1 THR 97 -2.104 2.373 0.929 762 HG21 THR 97 HG21 THR 97 -2.984 -0.191 -0.021 763 HG22 THR 97 HG22 THR 97 -1.760 -1.406 0.357 764 HG23 THR 97 HG23 THR 97 -1.524 -0.305 -1.004 765 H GLU 98 H GLU 98 -3.077 -1.604 2.487 766 HA GLU 98 HA GLU 98 -0.869 -3.245 3.590 767 HB2 GLU 98 HB2 GLU 98 -2.622 -3.028 5.278 768 HB3 GLU 98 HB3 GLU 98 -3.858 -3.519 4.123 769 HG2 GLU 98 HG2 GLU 98 -2.719 -5.755 3.938 770 HG3 GLU 98 HG3 GLU 98 -1.597 -5.245 5.198 771 H LEU 99 H LEU 99 -0.322 -4.906 2.339 772 HA LEU 99 HA LEU 99 -2.126 -5.873 0.204 773 HB2 LEU 99 HB2 LEU 99 0.912 -6.028 0.365 774 HB3 LEU 99 HB3 LEU 99 -0.076 -6.637 -0.951 775 HG LEU 99 HG LEU 99 0.320 -3.709 -0.222 776 HD11 LEU 99 HD11 LEU 99 1.323 -5.304 -2.605 777 HD12 LEU 99 HD12 LEU 99 2.297 -4.720 -1.254 778 HD13 LEU 99 HD13 LEU 99 1.541 -3.570 -2.351 779 HD21 LEU 99 HD21 LEU 99 -1.946 -4.049 -1.098 780 HD22 LEU 99 HD22 LEU 99 -1.298 -4.895 -2.505 781 HD23 LEU 99 HD23 LEU 99 -0.950 -3.180 -2.267 782 H LEU 100 H LEU 100 -2.981 -7.767 0.764 783 HA LEU 100 HA LEU 100 -1.494 -9.676 2.479 784 HB2 LEU 100 HB2 LEU 100 -3.494 -8.717 3.618 785 HB3 LEU 100 HB3 LEU 100 -4.505 -9.233 2.281 786 HG LEU 100 HG LEU 100 -3.954 -11.628 2.836 787 HD11 LEU 100 HD11 LEU 100 -1.799 -11.334 3.935 788 HD12 LEU 100 HD12 LEU 100 -2.917 -12.175 5.005 789 HD13 LEU 100 HD13 LEU 100 -2.564 -10.465 5.270 790 HD21 LEU 100 HD21 LEU 100 -6.036 -10.606 3.647 791 HD22 LEU 100 HD22 LEU 100 -5.212 -10.060 5.109 792 HD23 LEU 100 HD23 LEU 100 -5.414 -11.786 4.803 793 H LEU 101 H LEU 101 -1.253 -11.730 1.592 794 HA LEU 101 HA LEU 101 -3.010 -12.518 -0.662 795 HB2 LEU 101 HB2 LEU 101 -0.670 -12.102 -1.443 796 HB3 LEU 101 HB3 LEU 101 -0.080 -13.283 -0.282 797 HG LEU 101 HG LEU 101 -1.405 -15.069 -1.474 798 HD11 LEU 101 HD11 LEU 101 -2.321 -14.596 -3.714 799 HD12 LEU 101 HD12 LEU 101 -1.988 -12.876 -3.483 800 HD13 LEU 101 HD13 LEU 101 -3.158 -13.699 -2.447 801 HD21 LEU 101 HD21 LEU 101 0.076 -15.276 -3.405 802 HD22 LEU 101 HD22 LEU 101 0.974 -14.751 -1.985 803 HD23 LEU 101 HD23 LEU 101 0.558 -13.585 -3.243 804 H GLU 102 H GLU 102 -4.279 -14.130 -0.060 805 HA GLU 102 HA GLU 102 -3.975 -15.367 2.522 806 HB2 GLU 102 HB2 GLU 102 -6.055 -15.756 0.338 807 HB3 GLU 102 HB3 GLU 102 -6.155 -16.464 1.946 808 HG2 GLU 102 HG2 GLU 102 -6.193 -14.175 2.925 809 HG3 GLU 102 HG3 GLU 102 -6.180 -13.503 1.295 810 HA PRO 103 HA PRO 103 -2.200 -19.288 1.116 811 HB2 PRO 103 HB2 PRO 103 -2.833 -20.911 3.236 812 HB3 PRO 103 HB3 PRO 103 -1.607 -19.635 3.342 813 HG2 PRO 103 HG2 PRO 103 -4.436 -19.605 4.322 814 HG3 PRO 103 HG3 PRO 103 -2.968 -18.966 5.092 815 HD2 PRO 103 HD2 PRO 103 -4.771 -17.394 3.716 816 HD3 PRO 103 HD3 PRO 103 -3.054 -16.981 3.921 817 H GLY 104 H GLY 104 -5.528 -19.615 2.490 818 HA2 GLY 104 HA2 GLY 104 -6.143 -22.035 1.078 819 HA3 GLY 104 HA3 GLY 104 -7.259 -21.036 1.994 820 H ASN 105 H ASN 105 -6.778 -18.610 0.509 821 HA ASN 105 HA ASN 105 -8.118 -19.238 -2.071 822 HB2 ASN 105 HB2 ASN 105 -8.422 -16.831 -0.202 823 HB3 ASN 105 HB3 ASN 105 -8.969 -16.795 -1.874 824 HD21 ASN 105 HD21 ASN 105 -9.600 -18.076 1.299 825 HD22 ASN 105 HD22 ASN 105 -11.141 -18.759 0.928 826 H SER 106 H SER 106 -7.087 -18.599 -3.886 827 HA SER 106 HA SER 106 -4.537 -17.209 -3.787 828 HB2 SER 106 HB2 SER 106 -6.158 -18.299 -6.139 829 HB3 SER 106 HB3 SER 106 -4.506 -17.674 -6.246 830 HG SER 106 HG SER 106 -4.925 -19.599 -4.313 831 H GLU 107 H GLU 107 -5.843 -15.367 -2.759 832 HA GLU 107 HA GLU 107 -6.598 -13.398 -4.832 833 HB2 GLU 107 HB2 GLU 107 -8.147 -13.968 -2.254 834 HB3 GLU 107 HB3 GLU 107 -8.437 -12.587 -3.304 835 HG2 GLU 107 HG2 GLU 107 -9.096 -14.078 -5.139 836 HG3 GLU 107 HG3 GLU 107 -8.749 -15.483 -4.134 837 H MET 108 H MET 108 -5.932 -11.342 -4.401 838 HA MET 108 HA MET 108 -4.173 -10.897 -2.080 839 HB2 MET 108 HB2 MET 108 -3.199 -10.845 -4.464 840 HB3 MET 108 HB3 MET 108 -4.150 -9.395 -4.748 841 HG2 MET 108 HG2 MET 108 -2.933 -8.230 -2.977 842 HG3 MET 108 HG3 MET 108 -2.030 -9.707 -2.609 843 HE1 MET 108 HE1 MET 108 0.912 -7.905 -4.241 844 HE2 MET 108 HE2 MET 108 0.392 -9.043 -2.998 845 HE3 MET 108 HE3 MET 108 -0.206 -7.380 -2.981 846 H GLN 109 H GLN 109 -5.007 -9.513 -0.594 847 HA GLN 109 HA GLN 109 -7.351 -7.859 -1.222 848 HB2 GLN 109 HB2 GLN 109 -7.352 -9.641 0.615 849 HB3 GLN 109 HB3 GLN 109 -6.186 -8.666 1.489 850 HG2 GLN 109 HG2 GLN 109 -8.903 -7.613 0.700 851 HG3 GLN 109 HG3 GLN 109 -8.647 -8.525 2.181 852 HE21 GLN 109 HE21 GLN 109 -6.004 -7.309 2.744 853 HE22 GLN 109 HE22 GLN 109 -6.345 -5.702 3.269 854 H ILE 110 H ILE 110 -6.986 -5.731 -1.487 855 HA ILE 110 HA ILE 110 -4.557 -4.424 -0.425 856 HB ILE 110 HB ILE 110 -6.281 -3.538 -2.799 857 HG12 ILE 110 HG12 ILE 110 -4.034 -3.997 -4.107 858 HG13 ILE 110 HG13 ILE 110 -3.620 -5.015 -2.739 859 HG21 ILE 110 HG21 ILE 110 -3.698 -2.349 -1.711 860 HG22 ILE 110 HG22 ILE 110 -5.304 -1.621 -1.621 861 HG23 ILE 110 HG23 ILE 110 -4.517 -1.828 -3.185 862 HD11 ILE 110 HD11 ILE 110 -5.996 -5.373 -4.567 863 HD12 ILE 110 HD12 ILE 110 -5.597 -6.400 -3.187 864 HD13 ILE 110 HD13 ILE 110 -4.508 -6.324 -4.573 865 H SER 111 H SER 111 -5.010 -3.215 1.323 866 HA SER 111 HA SER 111 -7.639 -1.856 1.628 867 HB2 SER 111 HB2 SER 111 -5.530 -2.554 3.724 868 HB3 SER 111 HB3 SER 111 -7.055 -1.720 4.041 869 HG SER 111 HG SER 111 -7.264 -4.101 2.671 870 H VAL 112 H VAL 112 -7.450 0.173 0.816 871 HA VAL 112 HA VAL 112 -4.980 1.738 1.284 872 HB VAL 112 HB VAL 112 -7.340 2.484 -0.520 873 HG11 VAL 112 HG11 VAL 112 -5.996 4.405 0.237 874 HG12 VAL 112 HG12 VAL 112 -5.747 4.125 -1.487 875 HG13 VAL 112 HG13 VAL 112 -4.518 3.617 -0.327 876 HG21 VAL 112 HG21 VAL 112 -6.312 0.413 -1.358 877 HG22 VAL 112 HG22 VAL 112 -4.717 1.166 -1.316 878 HG23 VAL 112 HG23 VAL 112 -5.944 1.764 -2.436 879 H LYS 113 H LYS 113 -5.043 3.102 2.972 880 HA LYS 113 HA LYS 113 -7.513 4.479 3.846 881 HB2 LYS 113 HB2 LYS 113 -5.419 3.208 5.696 882 HB3 LYS 113 HB3 LYS 113 -6.831 4.124 6.219 883 HG2 LYS 113 HG2 LYS 113 -8.306 2.364 5.245 884 HG3 LYS 113 HG3 LYS 113 -6.868 1.464 4.766 885 HD2 LYS 113 HD2 LYS 113 -7.854 0.545 6.833 886 HD3 LYS 113 HD3 LYS 113 -6.226 1.169 7.111 887 HE2 LYS 113 HE2 LYS 113 -7.119 3.161 8.156 888 HE3 LYS 113 HE3 LYS 113 -8.767 2.686 7.746 889 HZ1 LYS 113 HZ1 LYS 113 -6.965 1.195 9.567 890 HZ2 LYS 113 HZ2 LYS 113 -8.561 0.792 9.202 891 HZ3 LYS 113 HZ3 LYS 113 -8.226 2.212 10.055 892 H GLN 114 H GLN 114 -7.049 6.659 4.527 893 HA GLN 114 HA GLN 114 -4.247 7.554 4.359 894 HB2 GLN 114 HB2 GLN 114 -4.831 9.368 2.751 895 HB3 GLN 114 HB3 GLN 114 -4.948 7.757 2.058 896 HG2 GLN 114 HG2 GLN 114 -7.399 7.825 2.268 897 HG3 GLN 114 HG3 GLN 114 -7.298 9.429 3.000 898 HE21 GLN 114 HE21 GLN 114 -8.710 8.671 0.580 899 HE22 GLN 114 HE22 GLN 114 -8.024 9.612 -0.698 900 H ASN 115 H ASN 115 -3.821 9.510 5.304 901 HA ASN 115 HA ASN 115 -5.098 9.897 7.763 902 HB2 ASN 115 HB2 ASN 115 -2.669 10.299 7.275 903 HB3 ASN 115 HB3 ASN 115 -3.100 11.754 6.390 904 HD21 ASN 115 HD21 ASN 115 -1.403 11.389 8.762 905 HD22 ASN 115 HD22 ASN 115 -2.062 12.426 9.973 906 H GLU 116 H GLU 116 -4.889 12.120 4.986 907 HA GLU 116 HA GLU 116 -7.493 13.312 5.758 908 HB2 GLU 116 HB2 GLU 116 -5.180 14.551 4.181 909 HB3 GLU 116 HB3 GLU 116 -6.733 15.330 4.477 910 HG2 GLU 116 HG2 GLU 116 -6.304 15.366 6.886 911 HG3 GLU 116 HG3 GLU 116 -4.800 14.478 6.652 912 H ALA 117 H ALA 117 -8.995 12.333 4.563 913 HA ALA 117 HA ALA 117 -8.418 10.945 2.123 914 HB1 ALA 117 HB1 ALA 117 -11.059 11.444 3.545 915 HB2 ALA 117 HB2 ALA 117 -9.997 10.053 3.776 916 HB3 ALA 117 HB3 ALA 117 -10.800 10.299 2.226 917 H ARG 118 H ARG 118 -8.077 12.116 0.307 918 HA ARG 118 HA ARG 118 -10.272 13.905 -0.584 919 HB2 ARG 118 HB2 ARG 118 -8.034 14.964 -0.511 920 HB3 ARG 118 HB3 ARG 118 -7.370 13.667 -1.485 921 HG2 ARG 118 HG2 ARG 118 -8.691 14.406 -3.416 922 HG3 ARG 118 HG3 ARG 118 -9.413 15.692 -2.439 923 HD2 ARG 118 HD2 ARG 118 -7.172 16.693 -2.086 924 HD3 ARG 118 HD3 ARG 118 -6.448 15.398 -3.040 925 HE ARG 118 HE ARG 118 -7.496 16.291 -4.993 926 HH11 ARG 118 HH11 ARG 118 -7.615 18.410 -2.192 927 HH12 ARG 118 HH12 ARG 118 -7.891 19.832 -3.142 928 HH21 ARG 118 HH21 ARG 118 -7.852 18.150 -6.231 929 HH22 ARG 118 HH22 ARG 118 -8.023 19.680 -5.433 930 H THR 119 H THR 119 -11.431 13.206 -2.371 931 HA THR 119 HA THR 119 -11.426 10.493 -3.128 932 HB THR 119 HB THR 119 -12.652 12.871 -4.602 933 HG1 THR 119 HG1 THR 119 -13.833 11.068 -2.729 934 HG21 THR 119 HG21 THR 119 -13.354 9.915 -4.818 935 HG22 THR 119 HG22 THR 119 -12.544 10.867 -6.063 936 HG23 THR 119 HG23 THR 119 -14.207 11.242 -5.611 937 H GLU 120 H GLU 120 -10.078 13.380 -4.666 938 HA GLU 120 HA GLU 120 -9.142 12.306 -7.057 939 HB2 GLU 120 HB2 GLU 120 -7.818 14.525 -5.448 940 HB3 GLU 120 HB3 GLU 120 -7.681 14.264 -7.180 941 HG2 GLU 120 HG2 GLU 120 -10.231 15.009 -5.734 942 HG3 GLU 120 HG3 GLU 120 -9.187 16.143 -6.581 943 H THR 121 H THR 121 -7.478 12.607 -3.903 944 HA THR 121 HA THR 121 -5.011 11.505 -4.768 945 HB THR 121 HB THR 121 -4.518 11.236 -2.287 946 HG1 THR 121 HG1 THR 121 -6.013 11.655 -0.818 947 HG21 THR 121 HG21 THR 121 -5.518 13.960 -3.174 948 HG22 THR 121 HG22 THR 121 -3.909 13.302 -3.477 949 HG23 THR 121 HG23 THR 121 -4.417 13.663 -1.825 950 H LEU 122 H LEU 122 -7.890 10.067 -3.199 951 HA LEU 122 HA LEU 122 -6.854 7.529 -2.674 952 HB2 LEU 122 HB2 LEU 122 -9.008 8.368 -1.750 953 HB3 LEU 122 HB3 LEU 122 -9.730 8.273 -3.351 954 HG LEU 122 HG LEU 122 -9.379 5.783 -3.330 955 HD11 LEU 122 HD11 LEU 122 -8.803 4.635 -1.245 956 HD12 LEU 122 HD12 LEU 122 -8.481 6.183 -0.462 957 HD13 LEU 122 HD13 LEU 122 -7.475 5.647 -1.811 958 HD21 LEU 122 HD21 LEU 122 -11.182 5.235 -1.789 959 HD22 LEU 122 HD22 LEU 122 -11.546 6.729 -2.652 960 HD23 LEU 122 HD23 LEU 122 -10.999 6.793 -0.976 961 H ASN 123 H ASN 123 -8.761 8.647 -5.507 962 HA ASN 123 HA ASN 123 -8.887 6.180 -6.878 963 HB2 ASN 123 HB2 ASN 123 -9.117 9.046 -7.916 964 HB3 ASN 123 HB3 ASN 123 -9.424 7.626 -8.917 965 HD21 ASN 123 HD21 ASN 123 -11.569 8.312 -9.265 966 HD22 ASN 123 HD22 ASN 123 -12.779 8.177 -8.039 967 H SER 124 H SER 124 -6.726 8.969 -7.229 968 HA SER 124 HA SER 124 -5.195 7.970 -9.388 969 HB2 SER 124 HB2 SER 124 -5.237 10.365 -8.798 970 HB3 SER 124 HB3 SER 124 -4.397 10.028 -7.282 971 HG SER 124 HG SER 124 -3.262 9.216 -9.733 972 H PHE 125 H PHE 125 -4.846 7.626 -5.868 973 HA PHE 125 HA PHE 125 -2.228 6.501 -5.896 974 HB2 PHE 125 HB2 PHE 125 -3.278 7.554 -3.880 975 HB3 PHE 125 HB3 PHE 125 -4.377 6.182 -3.744 976 HD1 PHE 125 HD2 PHE 125 -0.763 7.141 -3.701 977 HD2 PHE 125 HD1 PHE 125 -3.668 4.193 -2.612 978 HE1 PHE 125 HE2 PHE 125 0.932 5.942 -2.388 979 HE2 PHE 125 HE1 PHE 125 -1.964 3.003 -1.316 980 HZ PHE 125 HZ PHE 125 0.337 3.870 -1.191 981 H ILE 126 H ILE 126 -5.477 5.091 -5.870 982 HA ILE 126 HA ILE 126 -4.847 2.358 -5.685 983 HB ILE 126 HB ILE 126 -7.202 3.704 -7.095 984 HG12 ILE 126 HG12 ILE 126 -7.131 2.414 -4.330 985 HG13 ILE 126 HG13 ILE 126 -6.934 4.140 -4.596 986 HG21 ILE 126 HG21 ILE 126 -6.903 0.784 -6.292 987 HG22 ILE 126 HG22 ILE 126 -6.956 1.405 -7.943 988 HG23 ILE 126 HG23 ILE 126 -8.381 1.522 -6.910 989 HD11 ILE 126 HD11 ILE 126 -9.171 4.245 -5.561 990 HD12 ILE 126 HD12 ILE 126 -9.183 3.612 -3.916 991 HD13 ILE 126 HD13 ILE 126 -9.373 2.512 -5.282 992 H SER 127 H SER 127 -5.091 4.546 -8.501 993 HA SER 127 HA SER 127 -4.653 2.477 -10.439 994 HB2 SER 127 HB2 SER 127 -4.301 4.488 -12.022 995 HB3 SER 127 HB3 SER 127 -5.877 4.336 -11.246 996 HG SER 127 HG SER 127 -3.771 5.945 -10.251 997 H VAL 128 H VAL 128 -2.472 4.612 -8.601 998 HA VAL 128 HA VAL 128 -0.082 4.010 -10.010 999 HB VAL 128 HB VAL 128 -0.500 4.683 -7.056 1000 HG11 VAL 128 HG11 VAL 128 1.624 3.470 -7.268 1001 HG12 VAL 128 HG12 VAL 128 1.937 5.176 -6.954 1002 HG13 VAL 128 HG13 VAL 128 2.125 4.534 -8.587 1003 HG21 VAL 128 HG21 VAL 128 0.451 6.401 -9.377 1004 HG22 VAL 128 HG22 VAL 128 0.311 6.935 -7.699 1005 HG23 VAL 128 HG23 VAL 128 -1.133 6.488 -8.606 1006 H LEU 129 H LEU 129 -1.545 2.489 -7.103 1007 HA LEU 129 HA LEU 129 0.065 0.268 -6.828 1008 HB2 LEU 129 HB2 LEU 129 -2.934 0.396 -6.322 1009 HB3 LEU 129 HB3 LEU 129 -1.853 -0.841 -5.694 1010 HG LEU 129 HG LEU 129 -1.731 2.115 -4.977 1011 HD11 LEU 129 HD11 LEU 129 -2.565 1.426 -2.773 1012 HD12 LEU 129 HD12 LEU 129 -2.724 -0.238 -3.341 1013 HD13 LEU 129 HD13 LEU 129 -3.717 1.038 -4.050 1014 HD21 LEU 129 HD21 LEU 129 -0.095 1.447 -3.247 1015 HD22 LEU 129 HD22 LEU 129 0.507 1.115 -4.869 1016 HD23 LEU 129 HD23 LEU 129 -0.101 -0.206 -3.868 1017 H GLU 130 H GLU 130 -2.747 0.677 -8.966 1018 HA GLU 130 HA GLU 130 -2.947 -1.954 -9.942 1019 HB2 GLU 130 HB2 GLU 130 -3.828 0.743 -11.013 1020 HB3 GLU 130 HB3 GLU 130 -4.085 -0.720 -11.956 1021 HG2 GLU 130 HG2 GLU 130 -5.149 -0.240 -9.161 1022 HG3 GLU 130 HG3 GLU 130 -6.078 -0.090 -10.649 1023 H THR 131 H THR 131 -1.043 0.811 -11.080 1024 HA THR 131 HA THR 131 0.028 -0.353 -13.402 1025 HB THR 131 HB THR 131 1.486 1.626 -11.583 1026 HG1 THR 131 HG1 THR 131 -0.134 2.901 -12.053 1027 HG21 THR 131 HG21 THR 131 1.610 1.230 -14.599 1028 HG22 THR 131 HG22 THR 131 2.855 0.704 -13.460 1029 HG23 THR 131 HG23 THR 131 2.514 2.424 -13.672 1030 H VAL 132 H VAL 132 1.193 -0.336 -10.018 1031 HA VAL 132 HA VAL 132 3.639 -1.687 -10.481 1032 HB VAL 132 HB VAL 132 2.066 -1.599 -7.854 1033 HG11 VAL 132 HG11 VAL 132 5.028 -2.069 -8.375 1034 HG12 VAL 132 HG12 VAL 132 3.869 -3.282 -7.830 1035 HG13 VAL 132 HG13 VAL 132 4.284 -1.923 -6.785 1036 HG21 VAL 132 HG21 VAL 132 2.420 0.671 -8.754 1037 HG22 VAL 132 HG22 VAL 132 4.144 0.351 -8.928 1038 HG23 VAL 132 HG23 VAL 132 3.419 0.416 -7.319 1039 H ILE 133 H ILE 133 0.513 -2.909 -9.301 1040 HA ILE 133 HA ILE 133 1.282 -5.609 -8.882 1041 HB ILE 133 HB ILE 133 -1.488 -4.339 -9.184 1042 HG12 ILE 133 HG12 ILE 133 0.053 -5.135 -6.662 1043 HG13 ILE 133 HG13 ILE 133 -0.187 -3.490 -7.232 1044 HG21 ILE 133 HG21 ILE 133 -0.847 -7.123 -8.162 1045 HG22 ILE 133 HG22 ILE 133 -1.655 -6.742 -9.682 1046 HG23 ILE 133 HG23 ILE 133 -2.441 -6.367 -8.147 1047 HD11 ILE 133 HD11 ILE 133 -2.343 -5.365 -6.277 1048 HD12 ILE 133 HD12 ILE 133 -2.596 -3.724 -6.874 1049 HD13 ILE 133 HD13 ILE 133 -1.672 -3.991 -5.395 1050 H GLY 134 H GLY 134 -0.425 -3.921 -11.526 1051 HA2 GLY 134 HA2 GLY 134 -1.053 -6.108 -13.173 1052 HA3 GLY 134 HA3 GLY 134 -0.861 -4.448 -13.711 1053 H THR 135 H THR 135 1.870 -4.103 -13.029 1054 HA THR 135 HA THR 135 3.185 -5.151 -15.315 1055 HB THR 135 HB THR 135 4.328 -3.771 -12.852 1056 HG1 THR 135 HG1 THR 135 2.659 -2.730 -14.340 1057 HG21 THR 135 HG21 THR 135 6.153 -4.869 -14.141 1058 HG22 THR 135 HG22 THR 135 6.241 -3.116 -14.290 1059 HG23 THR 135 HG23 THR 135 5.590 -4.076 -15.619 1060 H ILE 136 H ILE 136 2.755 -6.473 -12.164 1061 HA ILE 136 HA ILE 136 4.896 -8.468 -12.380 1062 HB ILE 136 HB ILE 136 2.751 -8.017 -10.254 1063 HG12 ILE 136 HG12 ILE 136 5.728 -7.327 -10.224 1064 HG13 ILE 136 HG13 ILE 136 4.424 -6.167 -10.467 1065 HG21 ILE 136 HG21 ILE 136 5.166 -9.869 -10.144 1066 HG22 ILE 136 HG22 ILE 136 3.484 -10.381 -10.274 1067 HG23 ILE 136 HG23 ILE 136 4.043 -9.558 -8.819 1068 HD11 ILE 136 HD11 ILE 136 4.938 -7.788 -7.994 1069 HD12 ILE 136 HD12 ILE 136 3.566 -6.703 -8.237 1070 HD13 ILE 136 HD13 ILE 136 5.206 -6.061 -8.223 1071 H GLU 137 H GLU 137 1.443 -8.110 -12.824 1072 HA GLU 137 HA GLU 137 0.768 -10.914 -12.956 1073 HB2 GLU 137 HB2 GLU 137 -0.775 -8.425 -13.817 1074 HB3 GLU 137 HB3 GLU 137 -1.437 -10.057 -13.831 1075 HG2 GLU 137 HG2 GLU 137 -1.174 -10.203 -11.397 1076 HG3 GLU 137 HG3 GLU 137 -0.496 -8.575 -11.364 1077 H GLU 138 H GLU 138 -0.606 -11.499 -15.013 1078 HA GLU 138 HA GLU 138 0.302 -10.365 -17.544 1079 HB2 GLU 138 HB2 GLU 138 0.713 -12.607 -18.536 1080 HB3 GLU 138 HB3 GLU 138 1.851 -12.257 -17.240 1081 HG2 GLU 138 HG2 GLU 138 0.448 -13.650 -15.692 1082 HG3 GLU 138 HG3 GLU 138 -0.575 -14.082 -17.064 1083 H ILE 139 H ILE 139 -1.244 -10.758 -19.233 1084 HA ILE 139 HA ILE 139 -3.350 -10.577 -20.020 1085 HB ILE 139 HB ILE 139 -3.979 -12.985 -18.236 1086 HG12 ILE 139 HG12 ILE 139 -2.904 -12.975 -21.102 1087 HG13 ILE 139 HG13 ILE 139 -1.961 -13.395 -19.679 1088 HG21 ILE 139 HG21 ILE 139 -6.005 -11.926 -19.186 1089 HG22 ILE 139 HG22 ILE 139 -5.722 -13.506 -19.913 1090 HG23 ILE 139 HG23 ILE 139 -5.317 -12.044 -20.809 1091 HD11 ILE 139 HD11 ILE 139 -3.415 -15.332 -19.293 1092 HD12 ILE 139 HD12 ILE 139 -2.647 -15.371 -20.880 1093 HD13 ILE 139 HD13 ILE 139 -4.344 -14.916 -20.738 1094 H LYS 140 H LYS 140 -3.235 -8.560 -18.716 1095 HA LYS 140 HA LYS 140 -4.584 -8.363 -16.168 1096 HB2 LYS 140 HB2 LYS 140 -2.654 -6.921 -16.790 1097 HB3 LYS 140 HB3 LYS 140 -3.599 -6.194 -18.081 1098 HG2 LYS 140 HG2 LYS 140 -3.520 -4.662 -16.237 1099 HG3 LYS 140 HG3 LYS 140 -5.168 -5.281 -16.347 1100 HD2 LYS 140 HD2 LYS 140 -4.700 -6.831 -14.461 1101 HD3 LYS 140 HD3 LYS 140 -3.043 -6.229 -14.377 1102 HE2 LYS 140 HE2 LYS 140 -3.865 -3.997 -13.769 1103 HE3 LYS 140 HE3 LYS 140 -5.532 -4.547 -13.919 1104 HZ1 LYS 140 HZ1 LYS 140 -5.185 -6.053 -12.075 1105 HZ2 LYS 140 HZ2 LYS 140 -4.775 -4.481 -11.611 1106 HZ3 LYS 140 HZ3 LYS 140 -3.557 -5.603 -11.957 1107 H SER 141 H SER 141 -6.638 -9.123 -16.499 1108 HA SER 141 HA SER 141 -8.586 -7.456 -17.866 1109 HB2 SER 141 HB2 SER 141 -7.814 -8.983 -19.693 1110 HB3 SER 141 HB3 SER 141 -8.183 -10.382 -18.682 1111 HG SER 141 HG SER 141 -10.313 -10.024 -18.923 Start of MODEL 14 1 H1 MET 1 H1 MET 1 -15.423 69.006 -20.009 2 H2 MET 1 H2 MET 1 -14.317 70.111 -20.648 3 H3 MET 1 H3 MET 1 -14.275 69.735 -19.004 4 HA MET 1 HA MET 1 -13.709 67.874 -21.226 5 HB2 MET 1 HB2 MET 1 -11.813 69.096 -19.177 6 HB3 MET 1 HB3 MET 1 -11.358 67.931 -20.414 7 HG2 MET 1 HG2 MET 1 -11.966 69.603 -22.155 8 HG3 MET 1 HG3 MET 1 -12.317 70.767 -20.878 9 HE1 MET 1 HE1 MET 1 -10.395 71.591 -19.107 10 HE2 MET 1 HE2 MET 1 -8.702 71.117 -19.245 11 HE3 MET 1 HE3 MET 1 -9.917 69.922 -18.792 12 H GLY 2 H GLY 2 -13.783 65.739 -20.676 13 HA2 GLY 2 HA2 GLY 2 -13.984 64.965 -17.809 14 HA3 GLY 2 HA3 GLY 2 -15.113 64.368 -19.018 15 H HIS 3 H HIS 3 -11.616 64.830 -19.231 16 HA HIS 3 HA HIS 3 -11.099 62.255 -20.365 17 HB2 HIS 3 HB2 HIS 3 -9.673 64.150 -20.964 18 HB3 HIS 3 HB3 HIS 3 -9.242 64.418 -19.280 19 HD1 HIS 3 HD1 HIS 3 -7.621 62.646 -18.176 20 HD2 HIS 3 HD2 HIS 3 -8.057 62.293 -22.297 21 HE1 HIS 3 HE1 HIS 3 -5.718 61.209 -18.936 22 HE2 HIS 3 HE2 HIS 3 -6.057 60.924 -21.409 23 H HIS 4 H HIS 4 -11.054 60.413 -19.259 24 HA HIS 4 HA HIS 4 -9.797 60.197 -16.609 25 HB2 HIS 4 HB2 HIS 4 -12.544 59.028 -17.280 26 HB3 HIS 4 HB3 HIS 4 -11.639 58.699 -15.806 27 HD1 HIS 4 HD1 HIS 4 -14.036 61.048 -17.288 28 HD2 HIS 4 HD2 HIS 4 -11.404 61.036 -14.069 29 HE1 HIS 4 HE1 HIS 4 -14.747 62.955 -15.821 30 HE2 HIS 4 HE2 HIS 4 -13.179 62.893 -13.858 31 H HIS 5 H HIS 5 -8.772 58.253 -16.282 32 HA HIS 5 HA HIS 5 -8.238 56.481 -18.507 33 HB2 HIS 5 HB2 HIS 5 -7.422 56.293 -15.562 34 HB3 HIS 5 HB3 HIS 5 -6.809 55.255 -16.848 35 HD1 HIS 5 HD1 HIS 5 -6.578 58.774 -15.529 36 HD2 HIS 5 HD2 HIS 5 -4.809 56.387 -18.433 37 HE1 HIS 5 HE1 HIS 5 -4.553 60.033 -16.306 38 HE2 HIS 5 HE2 HIS 5 -3.428 58.505 -17.948 39 H HIS 6 H HIS 6 -8.908 54.318 -18.694 40 HA HIS 6 HA HIS 6 -11.507 53.698 -17.520 41 HB2 HIS 6 HB2 HIS 6 -9.871 52.342 -19.709 42 HB3 HIS 6 HB3 HIS 6 -11.428 51.732 -19.150 43 HD1 HIS 6 HD1 HIS 6 -13.375 52.555 -20.423 44 HD2 HIS 6 HD2 HIS 6 -10.173 55.183 -20.665 45 HE1 HIS 6 HE1 HIS 6 -14.107 54.382 -21.977 46 HE2 HIS 6 HE2 HIS 6 -12.248 56.062 -21.895 47 H HIS 7 H HIS 7 -11.645 52.653 -15.670 48 HA HIS 7 HA HIS 7 -9.491 51.258 -14.416 49 HB2 HIS 7 HB2 HIS 7 -11.221 52.503 -13.133 50 HB3 HIS 7 HB3 HIS 7 -12.453 51.371 -13.676 51 HD1 HIS 7 HD1 HIS 7 -12.954 49.576 -12.036 52 HD2 HIS 7 HD2 HIS 7 -9.099 51.056 -11.557 53 HE1 HIS 7 HE1 HIS 7 -12.020 48.411 -10.021 54 HE2 HIS 7 HE2 HIS 7 -9.771 49.461 -9.652 55 H HIS 8 H HIS 8 -8.831 49.388 -15.338 56 HA HIS 8 HA HIS 8 -10.644 47.470 -16.523 57 HB2 HIS 8 HB2 HIS 8 -8.644 46.098 -16.974 58 HB3 HIS 8 HB3 HIS 8 -8.385 47.761 -17.486 59 HD1 HIS 8 HD1 HIS 8 -7.474 45.463 -14.581 60 HD2 HIS 8 HD2 HIS 8 -6.050 48.851 -16.516 61 HE1 HIS 8 HE1 HIS 8 -5.235 45.930 -13.566 62 HE2 HIS 8 HE2 HIS 8 -4.427 48.029 -14.695 63 H SER 9 H SER 9 -11.689 45.927 -15.462 64 HA SER 9 HA SER 9 -10.410 44.397 -13.353 65 HB2 SER 9 HB2 SER 9 -13.092 45.777 -12.876 66 HB3 SER 9 HB3 SER 9 -12.441 44.491 -11.854 67 HG SER 9 HG SER 9 -10.511 46.163 -11.950 68 H HIS 10 H HIS 10 -10.609 42.378 -13.985 69 HA HIS 10 HA HIS 10 -13.146 41.161 -14.588 70 HB2 HIS 10 HB2 HIS 10 -12.537 40.216 -16.799 71 HB3 HIS 10 HB3 HIS 10 -12.566 41.969 -16.872 72 HD1 HIS 10 HD1 HIS 10 -10.514 39.123 -17.758 73 HD2 HIS 10 HD2 HIS 10 -9.790 43.101 -16.800 74 HE1 HIS 10 HE1 HIS 10 -8.213 39.616 -18.610 75 HE2 HIS 10 HE2 HIS 10 -7.728 41.958 -17.843 76 H MET 11 H MET 11 -13.067 39.222 -13.592 77 HA MET 11 HA MET 11 -10.579 38.141 -12.581 78 HB2 MET 11 HB2 MET 11 -12.559 38.116 -11.148 79 HB3 MET 11 HB3 MET 11 -13.456 37.172 -12.334 80 HG2 MET 11 HG2 MET 11 -12.644 35.818 -10.412 81 HG3 MET 11 HG3 MET 11 -12.029 35.247 -11.966 82 HE1 MET 11 HE1 MET 11 -10.069 33.831 -10.903 83 HE2 MET 11 HE2 MET 11 -10.715 34.238 -9.310 84 HE3 MET 11 HE3 MET 11 -8.996 34.447 -9.646 85 H GLN 12 H GLN 12 -9.333 36.828 -13.742 86 HA GLN 12 HA GLN 12 -10.450 34.685 -15.404 87 HB2 GLN 12 HB2 GLN 12 -10.103 36.589 -16.978 88 HB3 GLN 12 HB3 GLN 12 -8.428 36.713 -16.457 89 HG2 GLN 12 HG2 GLN 12 -8.140 34.298 -17.304 90 HG3 GLN 12 HG3 GLN 12 -9.717 34.491 -18.070 91 HE21 GLN 12 HE21 GLN 12 -7.076 34.052 -19.281 92 HE22 GLN 12 HE22 GLN 12 -6.826 35.376 -20.365 93 H GLU 13 H GLU 13 -9.631 33.106 -14.137 94 HA GLU 13 HA GLU 13 -6.758 32.624 -14.161 95 HB2 GLU 13 HB2 GLU 13 -7.161 33.920 -12.044 96 HB3 GLU 13 HB3 GLU 13 -8.297 32.686 -11.518 97 HG2 GLU 13 HG2 GLU 13 -6.499 31.037 -11.382 98 HG3 GLU 13 HG3 GLU 13 -5.346 32.189 -12.049 99 H LEU 14 H LEU 14 -6.254 30.407 -13.747 100 HA LEU 14 HA LEU 14 -8.262 28.471 -14.442 101 HB2 LEU 14 HB2 LEU 14 -5.332 28.270 -13.656 102 HB3 LEU 14 HB3 LEU 14 -6.310 26.832 -13.885 103 HG LEU 14 HG LEU 14 -6.698 27.460 -16.267 104 HD11 LEU 14 HD11 LEU 14 -6.511 29.892 -16.135 105 HD12 LEU 14 HD12 LEU 14 -5.426 29.240 -17.360 106 HD13 LEU 14 HD13 LEU 14 -4.783 29.758 -15.798 107 HD21 LEU 14 HD21 LEU 14 -4.857 25.961 -15.705 108 HD22 LEU 14 HD22 LEU 14 -3.766 27.336 -15.513 109 HD23 LEU 14 HD23 LEU 14 -4.448 26.959 -17.099 110 HA PRO 15 HA PRO 15 -9.928 27.589 -10.354 111 HB2 PRO 15 HB2 PRO 15 -10.028 24.699 -11.185 112 HB3 PRO 15 HB3 PRO 15 -11.346 25.756 -10.641 113 HG2 PRO 15 HG2 PRO 15 -11.161 25.096 -13.208 114 HG3 PRO 15 HG3 PRO 15 -11.602 26.757 -12.741 115 HD2 PRO 15 HD2 PRO 15 -8.926 25.719 -13.681 116 HD3 PRO 15 HD3 PRO 15 -9.778 27.211 -14.141 117 H ASP 16 H ASP 16 -9.496 26.468 -8.326 118 HA ASP 16 HA ASP 16 -6.818 26.508 -7.571 119 HB2 ASP 16 HB2 ASP 16 -9.138 25.104 -6.164 120 HB3 ASP 16 HB3 ASP 16 -7.568 25.409 -5.427 121 H SER 17 H SER 17 -5.219 25.187 -8.084 122 HA SER 17 HA SER 17 -5.653 22.453 -8.994 123 HB2 SER 17 HB2 SER 17 -4.128 24.116 -10.169 124 HB3 SER 17 HB3 SER 17 -3.031 23.992 -8.795 125 HG SER 17 HG SER 17 -3.846 21.896 -10.537 126 H GLY 18 H GLY 18 -3.820 20.862 -8.247 127 HA2 GLY 18 HA2 GLY 18 -2.683 20.824 -5.705 128 HA3 GLY 18 HA3 GLY 18 -4.334 20.231 -5.511 129 H ALA 19 H ALA 19 -1.440 19.800 -7.493 130 HA ALA 19 HA ALA 19 -2.246 17.349 -8.709 131 HB1 ALA 19 HB1 ALA 19 0.033 17.341 -9.649 132 HB2 ALA 19 HB2 ALA 19 0.499 18.648 -8.557 133 HB3 ALA 19 HB3 ALA 19 -0.715 18.933 -9.805 134 H LEU 20 H LEU 20 -2.020 15.322 -7.997 135 HA LEU 20 HA LEU 20 -0.846 14.707 -5.424 136 HB2 LEU 20 HB2 LEU 20 -2.968 13.639 -6.258 137 HB3 LEU 20 HB3 LEU 20 -2.047 12.856 -7.531 138 HG LEU 20 HG LEU 20 -0.658 11.745 -5.645 139 HD11 LEU 20 HD11 LEU 20 -1.666 11.572 -3.453 140 HD12 LEU 20 HD12 LEU 20 -2.988 12.633 -3.943 141 HD13 LEU 20 HD13 LEU 20 -1.341 13.256 -3.850 142 HD21 LEU 20 HD21 LEU 20 -2.278 10.479 -6.967 143 HD22 LEU 20 HD22 LEU 20 -3.576 10.964 -5.873 144 HD23 LEU 20 HD23 LEU 20 -2.262 9.937 -5.289 145 H MET 21 H MET 21 1.366 14.875 -5.555 146 HA MET 21 HA MET 21 2.809 13.189 -7.537 147 HB2 MET 21 HB2 MET 21 3.208 15.587 -7.999 148 HB3 MET 21 HB3 MET 21 3.702 15.847 -6.331 149 HG2 MET 21 HG2 MET 21 5.642 14.337 -6.687 150 HG3 MET 21 HG3 MET 21 5.150 14.134 -8.372 151 HE1 MET 21 HE1 MET 21 8.065 15.116 -7.361 152 HE2 MET 21 HE2 MET 21 8.391 16.418 -8.506 153 HE3 MET 21 HE3 MET 21 7.683 14.907 -9.074 154 H LEU 22 H LEU 22 3.400 11.378 -6.385 155 HA LEU 22 HA LEU 22 3.747 11.397 -3.533 156 HB2 LEU 22 HB2 LEU 22 4.307 9.241 -5.630 157 HB3 LEU 22 HB3 LEU 22 4.286 8.976 -3.891 158 HG LEU 22 HG LEU 22 1.843 9.874 -5.480 159 HD11 LEU 22 HD11 LEU 22 2.572 7.063 -4.625 160 HD12 LEU 22 HD12 LEU 22 2.488 7.678 -6.278 161 HD13 LEU 22 HD13 LEU 22 1.022 7.564 -5.309 162 HD21 LEU 22 HD21 LEU 22 0.578 9.172 -3.472 163 HD22 LEU 22 HD22 LEU 22 1.713 10.469 -3.118 164 HD23 LEU 22 HD23 LEU 22 2.099 8.814 -2.646 165 H VAL 23 H VAL 23 5.532 12.337 -2.758 166 HA VAL 23 HA VAL 23 8.034 12.436 -4.289 167 HB VAL 23 HB VAL 23 8.779 14.097 -2.611 168 HG11 VAL 23 HG11 VAL 23 7.167 15.913 -3.099 169 HG12 VAL 23 HG12 VAL 23 5.981 14.721 -3.641 170 HG13 VAL 23 HG13 VAL 23 7.492 14.931 -4.532 171 HG21 VAL 23 HG21 VAL 23 7.301 14.893 -0.798 172 HG22 VAL 23 HG22 VAL 23 7.683 13.183 -0.596 173 HG23 VAL 23 HG23 VAL 23 6.104 13.667 -1.220 174 HA PRO 24 HA PRO 24 9.917 9.230 -1.742 175 HB2 PRO 24 HB2 PRO 24 12.585 9.821 -1.919 176 HB3 PRO 24 HB3 PRO 24 11.660 9.234 -3.318 177 HG2 PRO 24 HG2 PRO 24 12.467 12.051 -2.649 178 HG3 PRO 24 HG3 PRO 24 12.488 11.224 -4.222 179 HD2 PRO 24 HD2 PRO 24 10.479 12.944 -3.458 180 HD3 PRO 24 HD3 PRO 24 10.238 11.617 -4.614 181 H ASN 25 H ASN 25 8.770 10.154 0.095 182 HA ASN 25 HA ASN 25 10.086 12.109 1.807 183 HB2 ASN 25 HB2 ASN 25 7.611 12.163 1.315 184 HB3 ASN 25 HB3 ASN 25 7.435 10.637 2.172 185 HD21 ASN 25 HD21 ASN 25 8.127 14.058 2.508 186 HD22 ASN 25 HD22 ASN 25 7.840 14.140 4.212 187 H ARG 26 H ARG 26 10.150 11.632 4.232 188 HA ARG 26 HA ARG 26 11.784 9.487 4.929 189 HB2 ARG 26 HB2 ARG 26 9.942 11.057 6.768 190 HB3 ARG 26 HB3 ARG 26 11.295 10.052 7.284 191 HG2 ARG 26 HG2 ARG 26 12.828 11.600 5.995 192 HG3 ARG 26 HG3 ARG 26 11.432 12.642 5.704 193 HD2 ARG 26 HD2 ARG 26 11.150 12.768 8.214 194 HD3 ARG 26 HD3 ARG 26 12.699 11.947 8.377 195 HE ARG 26 HE ARG 26 12.593 14.433 6.819 196 HH11 ARG 26 HH11 ARG 26 13.600 12.902 9.834 197 HH12 ARG 26 HH12 ARG 26 14.646 14.210 10.273 198 HH21 ARG 26 HH21 ARG 26 13.963 16.128 7.442 199 HH22 ARG 26 HH22 ARG 26 14.849 16.024 8.930 200 H GLN 27 H GLN 27 11.369 7.376 5.330 201 HA GLN 27 HA GLN 27 8.818 6.183 5.182 202 HB2 GLN 27 HB2 GLN 27 9.922 4.094 5.907 203 HB3 GLN 27 HB3 GLN 27 10.856 4.902 4.655 204 HG2 GLN 27 HG2 GLN 27 12.486 5.685 6.286 205 HG3 GLN 27 HG3 GLN 27 11.502 5.078 7.618 206 HE21 GLN 27 HE21 GLN 27 14.282 4.445 6.866 207 HE22 GLN 27 HE22 GLN 27 14.329 2.727 6.681 208 H LEU 28 H LEU 28 7.338 5.688 6.741 209 HA LEU 28 HA LEU 28 7.553 6.732 9.418 210 HB2 LEU 28 HB2 LEU 28 5.516 4.725 8.371 211 HB3 LEU 28 HB3 LEU 28 5.345 5.777 9.773 212 HG LEU 28 HG LEU 28 5.372 6.634 6.853 213 HD11 LEU 28 HD11 LEU 28 3.053 7.300 7.261 214 HD12 LEU 28 HD12 LEU 28 3.145 6.663 8.905 215 HD13 LEU 28 HD13 LEU 28 3.293 5.574 7.521 216 HD21 LEU 28 HD21 LEU 28 6.504 8.346 8.180 217 HD22 LEU 28 HD22 LEU 28 5.163 8.391 9.328 218 HD23 LEU 28 HD23 LEU 28 4.922 8.925 7.661 219 H THR 29 H THR 29 7.746 5.530 11.376 220 HA THR 29 HA THR 29 9.074 2.968 11.286 221 HB THR 29 HB THR 29 8.872 3.007 13.775 222 HG1 THR 29 HG1 THR 29 7.532 5.501 13.462 223 HG21 THR 29 HG21 THR 29 10.203 5.041 14.215 224 HG22 THR 29 HG22 THR 29 9.737 5.700 12.645 225 HG23 THR 29 HG23 THR 29 10.748 4.255 12.731 226 H ALA 30 H ALA 30 8.166 0.969 12.075 227 HA ALA 30 HA ALA 30 5.553 0.366 11.215 228 HB1 ALA 30 HB1 ALA 30 7.334 -1.325 11.346 229 HB2 ALA 30 HB2 ALA 30 5.903 -1.839 12.240 230 HB3 ALA 30 HB3 ALA 30 7.312 -1.227 13.110 231 H ASP 31 H ASP 31 6.835 1.279 14.393 232 HA ASP 31 HA ASP 31 4.572 0.881 15.991 233 HB2 ASP 31 HB2 ASP 31 6.765 2.992 16.197 234 HB3 ASP 31 HB3 ASP 31 5.553 2.723 17.448 235 H TYR 32 H TYR 32 5.597 3.826 14.208 236 HA TYR 32 HA TYR 32 3.420 5.460 15.023 237 HB2 TYR 32 HB2 TYR 32 5.509 6.470 14.206 238 HB3 TYR 32 HB3 TYR 32 5.290 5.729 12.626 239 HD1 TYR 32 HD2 TYR 32 3.745 8.208 14.976 240 HD2 TYR 32 HD1 TYR 32 4.087 6.921 10.910 241 HE1 TYR 32 HE2 TYR 32 2.507 10.199 14.237 242 HE2 TYR 32 HE1 TYR 32 2.847 8.912 10.176 243 HH TYR 32 HH TYR 32 2.228 11.565 12.214 244 H PHE 33 H PHE 33 4.062 3.534 12.132 245 HA PHE 33 HA PHE 33 1.850 4.178 10.579 246 HB2 PHE 33 HB2 PHE 33 3.914 2.911 9.823 247 HB3 PHE 33 HB3 PHE 33 3.283 1.488 10.636 248 HD1 PHE 33 HD1 PHE 33 1.020 0.509 9.802 249 HD2 PHE 33 HD2 PHE 33 3.227 3.451 7.616 250 HE1 PHE 33 HE1 PHE 33 -0.231 -0.047 7.774 251 HE2 PHE 33 HE2 PHE 33 1.966 2.864 5.596 252 HZ PHE 33 HZ PHE 33 0.232 1.124 5.676 253 H GLU 34 H GLU 34 2.309 1.535 12.934 254 HA GLU 34 HA GLU 34 -0.171 0.251 12.656 255 HB2 GLU 34 HB2 GLU 34 1.785 -0.722 13.868 256 HB3 GLU 34 HB3 GLU 34 1.536 0.436 15.171 257 HG2 GLU 34 HG2 GLU 34 -0.744 -0.560 15.541 258 HG3 GLU 34 HG3 GLU 34 -0.357 -1.787 14.335 259 H LYS 35 H LYS 35 0.857 2.862 14.853 260 HA LYS 35 HA LYS 35 -1.560 3.190 16.280 261 HB2 LYS 35 HB2 LYS 35 0.654 5.211 15.711 262 HB3 LYS 35 HB3 LYS 35 -0.636 5.447 16.891 263 HG2 LYS 35 HG2 LYS 35 0.180 3.530 18.202 264 HG3 LYS 35 HG3 LYS 35 1.441 3.232 17.000 265 HD2 LYS 35 HD2 LYS 35 2.374 5.512 17.491 266 HD3 LYS 35 HD3 LYS 35 1.169 5.696 18.767 267 HE2 LYS 35 HE2 LYS 35 3.312 3.540 18.689 268 HE3 LYS 35 HE3 LYS 35 3.408 5.030 19.629 269 HZ1 LYS 35 HZ1 LYS 35 1.397 2.868 19.972 270 HZ2 LYS 35 HZ2 LYS 35 1.425 4.316 20.846 271 HZ3 LYS 35 HZ3 LYS 35 2.694 3.208 21.005 272 H THR 36 H THR 36 -0.336 4.711 13.310 273 HA THR 36 HA THR 36 -2.401 6.636 12.955 274 HB THR 36 HB THR 36 -0.519 5.440 10.863 275 HG1 THR 36 HG1 THR 36 0.241 6.665 12.929 276 HG21 THR 36 HG21 THR 36 -2.382 6.691 9.826 277 HG22 THR 36 HG22 THR 36 -0.854 7.547 9.617 278 HG23 THR 36 HG23 THR 36 -2.003 8.092 10.840 279 H TRP 37 H TRP 37 -1.846 3.376 11.759 280 HA TRP 37 HA TRP 37 -3.944 3.103 9.922 281 HB2 TRP 37 HB2 TRP 37 -1.942 1.593 10.006 282 HB3 TRP 37 HB3 TRP 37 -2.501 0.940 11.541 283 HD1 TRP 37 HD1 TRP 37 -4.416 -0.927 11.443 284 HE1 TRP 37 HE1 TRP 37 -5.516 -2.227 9.515 285 HE3 TRP 37 HE3 TRP 37 -2.658 1.810 7.493 286 HZ2 TRP 37 HZ2 TRP 37 -5.617 -2.121 6.707 287 HZ3 TRP 37 HZ3 TRP 37 -3.307 1.142 5.214 288 HH2 TRP 37 HH2 TRP 37 -4.756 -0.783 4.830 289 H LEU 38 H LEU 38 -3.671 2.091 13.360 290 HA LEU 38 HA LEU 38 -6.346 1.094 13.510 291 HB2 LEU 38 HB2 LEU 38 -4.360 1.751 15.706 292 HB3 LEU 38 HB3 LEU 38 -5.894 0.930 15.971 293 HG LEU 38 HG LEU 38 -3.544 -0.135 14.350 294 HD11 LEU 38 HD11 LEU 38 -3.334 -1.827 16.095 295 HD12 LEU 38 HD12 LEU 38 -4.653 -1.084 17.003 296 HD13 LEU 38 HD13 LEU 38 -3.142 -0.205 16.755 297 HD21 LEU 38 HD21 LEU 38 -5.641 -0.869 13.324 298 HD22 LEU 38 HD22 LEU 38 -6.230 -1.460 14.880 299 HD23 LEU 38 HD23 LEU 38 -4.834 -2.221 14.112 300 H SER 39 H SER 39 -4.900 4.237 14.012 301 HA SER 39 HA SER 39 -7.127 5.373 15.453 302 HB2 SER 39 HB2 SER 39 -4.794 6.267 15.639 303 HB3 SER 39 HB3 SER 39 -4.893 6.822 13.969 304 HG SER 39 HG SER 39 -7.017 7.682 15.431 305 H LEU 40 H LEU 40 -6.473 4.758 12.087 306 HA LEU 40 HA LEU 40 -8.581 6.639 11.189 307 HB2 LEU 40 HB2 LEU 40 -6.197 5.375 9.792 308 HB3 LEU 40 HB3 LEU 40 -7.495 6.139 8.892 309 HG LEU 40 HG LEU 40 -5.840 7.649 10.957 310 HD11 LEU 40 HD11 LEU 40 -4.317 6.811 9.226 311 HD12 LEU 40 HD12 LEU 40 -4.522 8.556 9.096 312 HD13 LEU 40 HD13 LEU 40 -5.354 7.487 7.963 313 HD21 LEU 40 HD21 LEU 40 -6.696 9.630 9.771 314 HD22 LEU 40 HD22 LEU 40 -8.020 8.645 10.392 315 HD23 LEU 40 HD23 LEU 40 -7.610 8.587 8.673 316 H LYS 41 H LYS 41 -9.894 5.770 9.365 317 HA LYS 41 HA LYS 41 -10.503 2.872 9.622 318 HB2 LYS 41 HB2 LYS 41 -12.335 5.154 8.756 319 HB3 LYS 41 HB3 LYS 41 -12.796 3.457 8.872 320 HG2 LYS 41 HG2 LYS 41 -12.536 3.501 11.297 321 HG3 LYS 41 HG3 LYS 41 -11.903 5.152 11.232 322 HD2 LYS 41 HD2 LYS 41 -14.081 5.951 10.359 323 HD3 LYS 41 HD3 LYS 41 -14.713 4.305 10.407 324 HE2 LYS 41 HE2 LYS 41 -13.745 5.812 12.858 325 HE3 LYS 41 HE3 LYS 41 -15.427 5.772 12.330 326 HZ1 LYS 41 HZ1 LYS 41 -15.464 3.407 12.637 327 HZ2 LYS 41 HZ2 LYS 41 -14.924 4.140 14.057 328 HZ3 LYS 41 HZ3 LYS 41 -13.822 3.376 13.035 329 H VAL 42 H VAL 42 -10.942 1.737 7.648 330 HA VAL 42 HA VAL 42 -9.150 2.266 5.557 331 HB VAL 42 HB VAL 42 -11.578 0.406 5.532 332 HG11 VAL 42 HG11 VAL 42 -10.837 0.846 3.224 333 HG12 VAL 42 HG12 VAL 42 -10.456 -0.811 3.690 334 HG13 VAL 42 HG13 VAL 42 -9.180 0.408 3.653 335 HG21 VAL 42 HG21 VAL 42 -8.666 -0.223 6.153 336 HG22 VAL 42 HG22 VAL 42 -9.988 -1.394 6.086 337 HG23 VAL 42 HG23 VAL 42 -9.981 -0.143 7.331 338 H ALA 43 H ALA 43 -9.301 3.474 3.781 339 HA ALA 43 HA ALA 43 -11.598 5.203 3.339 340 HB1 ALA 43 HB1 ALA 43 -8.918 5.058 1.893 341 HB2 ALA 43 HB2 ALA 43 -9.304 6.119 3.249 342 HB3 ALA 43 HB3 ALA 43 -10.126 6.337 1.702 343 H HIS 44 H HIS 44 -9.771 2.767 1.510 344 HA HIS 44 HA HIS 44 -12.176 1.873 0.127 345 HB2 HIS 44 HB2 HIS 44 -11.268 3.480 -1.476 346 HB3 HIS 44 HB3 HIS 44 -9.650 2.803 -1.316 347 HD2 HIS 44 HD2 HIS 44 -9.064 0.919 -3.191 348 HE1 HIS 44 HE1 HIS 44 -13.031 0.132 -4.390 349 HE2 HIS 44 HE2 HIS 44 -10.595 -0.133 -4.988 350 H GLN 45 H GLN 45 -12.024 -0.313 -0.501 351 HA GLN 45 HA GLN 45 -9.573 -1.805 0.144 352 HB2 GLN 45 HB2 GLN 45 -11.091 -1.750 2.172 353 HB3 GLN 45 HB3 GLN 45 -12.317 -2.577 1.222 354 HG2 GLN 45 HG2 GLN 45 -10.810 -4.514 0.974 355 HG3 GLN 45 HG3 GLN 45 -9.574 -3.669 1.905 356 HE21 GLN 45 HE21 GLN 45 -13.042 -3.656 2.647 357 HE22 GLN 45 HE22 GLN 45 -12.893 -4.523 4.132 358 H GLN 46 H GLN 46 -9.151 -3.114 -1.532 359 HA GLN 46 HA GLN 46 -11.292 -4.053 -3.337 360 HB2 GLN 46 HB2 GLN 46 -10.419 -1.854 -4.109 361 HB3 GLN 46 HB3 GLN 46 -8.791 -2.515 -4.144 362 HG2 GLN 46 HG2 GLN 46 -9.446 -4.050 -5.950 363 HG3 GLN 46 HG3 GLN 46 -11.099 -3.427 -5.884 364 HE21 GLN 46 HE21 GLN 46 -7.768 -2.591 -6.608 365 HE22 GLN 46 HE22 GLN 46 -8.128 -1.235 -7.606 366 H VAL 47 H VAL 47 -10.979 -6.115 -3.821 367 HA VAL 47 HA VAL 47 -8.378 -7.427 -3.324 368 HB VAL 47 HB VAL 47 -11.155 -8.673 -3.572 369 HG11 VAL 47 HG11 VAL 47 -9.379 -10.253 -4.217 370 HG12 VAL 47 HG12 VAL 47 -10.088 -10.733 -2.673 371 HG13 VAL 47 HG13 VAL 47 -8.519 -9.927 -2.710 372 HG21 VAL 47 HG21 VAL 47 -9.525 -8.116 -1.060 373 HG22 VAL 47 HG22 VAL 47 -11.072 -8.962 -1.114 374 HG23 VAL 47 HG23 VAL 47 -10.987 -7.255 -1.551 375 H LEU 48 H LEU 48 -7.261 -8.187 -5.008 376 HA LEU 48 HA LEU 48 -8.419 -8.157 -7.730 377 HB2 LEU 48 HB2 LEU 48 -5.621 -7.566 -6.701 378 HB3 LEU 48 HB3 LEU 48 -5.877 -8.053 -8.366 379 HG LEU 48 HG LEU 48 -7.488 -6.040 -8.545 380 HD11 LEU 48 HD11 LEU 48 -7.073 -4.153 -7.031 381 HD12 LEU 48 HD12 LEU 48 -6.061 -5.193 -6.021 382 HD13 LEU 48 HD13 LEU 48 -7.783 -5.535 -6.195 383 HD21 LEU 48 HD21 LEU 48 -4.517 -5.581 -8.206 384 HD22 LEU 48 HD22 LEU 48 -5.633 -4.498 -9.045 385 HD23 LEU 48 HD23 LEU 48 -5.351 -6.125 -9.668 386 HA PRO 49 HA PRO 49 -7.271 -12.561 -7.918 387 HB2 PRO 49 HB2 PRO 49 -6.866 -12.882 -10.626 388 HB3 PRO 49 HB3 PRO 49 -8.490 -12.710 -9.922 389 HG2 PRO 49 HG2 PRO 49 -6.805 -10.634 -11.293 390 HG3 PRO 49 HG3 PRO 49 -8.551 -10.945 -11.444 391 HD2 PRO 49 HD2 PRO 49 -7.521 -8.939 -9.881 392 HD3 PRO 49 HD3 PRO 49 -9.059 -9.739 -9.518 393 H TRP 50 H TRP 50 -5.318 -13.759 -7.944 394 HA TRP 50 HA TRP 50 -2.866 -12.391 -8.855 395 HB2 TRP 50 HB2 TRP 50 -3.172 -11.919 -6.405 396 HB3 TRP 50 HB3 TRP 50 -3.161 -13.653 -6.080 397 HD1 TRP 50 HD1 TRP 50 -0.802 -14.724 -5.706 398 HE1 TRP 50 HE1 TRP 50 1.614 -13.955 -6.068 399 HE3 TRP 50 HE3 TRP 50 -1.698 -10.219 -7.944 400 HZ2 TRP 50 HZ2 TRP 50 2.971 -11.734 -7.122 401 HZ3 TRP 50 HZ3 TRP 50 0.227 -8.830 -8.577 402 HH2 TRP 50 HH2 TRP 50 2.499 -9.577 -8.171 403 H ARG 51 H ARG 51 -1.179 -13.763 -9.432 404 HA ARG 51 HA ARG 51 -1.987 -16.491 -10.193 405 HB2 ARG 51 HB2 ARG 51 -0.016 -16.418 -11.695 406 HB3 ARG 51 HB3 ARG 51 -1.111 -15.067 -11.967 407 HG2 ARG 51 HG2 ARG 51 0.377 -13.535 -10.819 408 HG3 ARG 51 HG3 ARG 51 1.431 -14.862 -10.315 409 HD2 ARG 51 HD2 ARG 51 2.318 -13.557 -12.254 410 HD3 ARG 51 HD3 ARG 51 2.109 -15.279 -12.595 411 HE ARG 51 HE ARG 51 -0.081 -13.499 -13.369 412 HH11 ARG 51 HH11 ARG 51 2.755 -15.281 -14.447 413 HH12 ARG 51 HH12 ARG 51 2.289 -15.236 -16.116 414 HH21 ARG 51 HH21 ARG 51 -0.679 -13.475 -15.566 415 HH22 ARG 51 HH22 ARG 51 0.350 -14.216 -16.749 416 H GLY 52 H GLY 52 -0.212 -18.184 -10.199 417 HA2 GLY 52 HA2 GLY 52 0.687 -18.781 -7.586 418 HA3 GLY 52 HA3 GLY 52 1.141 -19.625 -9.053 419 H GLU 53 H GLU 53 2.262 -17.109 -10.240 420 HA GLU 53 HA GLU 53 4.929 -17.209 -9.069 421 HB2 GLU 53 HB2 GLU 53 3.871 -15.597 -11.431 422 HB3 GLU 53 HB3 GLU 53 5.568 -15.735 -10.969 423 HG2 GLU 53 HG2 GLU 53 5.585 -18.102 -11.481 424 HG3 GLU 53 HG3 GLU 53 3.844 -18.104 -11.759 425 H PHE 54 H PHE 54 4.404 -16.317 -7.003 426 HA PHE 54 HA PHE 54 3.734 -13.491 -6.780 427 HB2 PHE 54 HB2 PHE 54 2.888 -15.064 -5.065 428 HB3 PHE 54 HB3 PHE 54 4.537 -15.517 -4.636 429 HD1 PHE 54 HD2 PHE 54 2.734 -12.270 -5.169 430 HD2 PHE 54 HD1 PHE 54 5.169 -14.591 -2.542 431 HE1 PHE 54 HE2 PHE 54 2.798 -10.407 -3.595 432 HE2 PHE 54 HE1 PHE 54 5.213 -12.712 -0.964 433 HZ PHE 54 HZ PHE 54 4.033 -10.626 -1.497 434 H HIS 55 H HIS 55 5.219 -11.886 -6.818 435 HA HIS 55 HA HIS 55 8.055 -12.452 -6.153 436 HB2 HIS 55 HB2 HIS 55 7.009 -10.779 -8.467 437 HB3 HIS 55 HB3 HIS 55 8.676 -10.729 -7.917 438 HD1 HIS 55 HD1 HIS 55 10.110 -12.021 -9.430 439 HD2 HIS 55 HD2 HIS 55 6.360 -13.757 -9.098 440 HE1 HIS 55 HE1 HIS 55 10.162 -14.025 -10.929 441 HE2 HIS 55 HE2 HIS 55 7.818 -14.916 -10.880 442 HA PRO 56 HA PRO 56 6.905 -8.930 -3.354 443 HB2 PRO 56 HB2 PRO 56 9.276 -9.836 -1.814 444 HB3 PRO 56 HB3 PRO 56 7.588 -9.705 -1.283 445 HG2 PRO 56 HG2 PRO 56 8.824 -12.100 -1.646 446 HG3 PRO 56 HG3 PRO 56 7.081 -11.860 -1.876 447 HD2 PRO 56 HD2 PRO 56 9.242 -12.071 -3.954 448 HD3 PRO 56 HD3 PRO 56 7.584 -12.719 -3.977 449 H ASP 57 H ASP 57 9.874 -9.999 -4.791 450 HA ASP 57 HA ASP 57 11.545 -7.751 -4.389 451 HB2 ASP 57 HB2 ASP 57 11.649 -9.756 -6.693 452 HB3 ASP 57 HB3 ASP 57 12.971 -8.718 -6.158 453 H THR 58 H THR 58 9.529 -8.764 -7.150 454 HA THR 58 HA THR 58 10.065 -6.562 -8.862 455 HB THR 58 HB THR 58 7.624 -8.403 -8.854 456 HG1 THR 58 HG1 THR 58 10.257 -8.833 -9.498 457 HG21 THR 58 HG21 THR 58 7.468 -7.908 -11.261 458 HG22 THR 58 HG22 THR 58 8.856 -6.824 -11.150 459 HG23 THR 58 HG23 THR 58 7.348 -6.413 -10.330 460 H LEU 59 H LEU 59 7.492 -7.359 -6.559 461 HA LEU 59 HA LEU 59 5.787 -5.180 -6.794 462 HB2 LEU 59 HB2 LEU 59 5.289 -7.207 -5.501 463 HB3 LEU 59 HB3 LEU 59 6.555 -6.816 -4.351 464 HG LEU 59 HG LEU 59 5.237 -4.812 -3.612 465 HD11 LEU 59 HD11 LEU 59 2.883 -4.564 -4.263 466 HD12 LEU 59 HD12 LEU 59 3.068 -5.860 -5.450 467 HD13 LEU 59 HD13 LEU 59 3.968 -4.354 -5.636 468 HD21 LEU 59 HD21 LEU 59 3.738 -7.440 -3.419 469 HD22 LEU 59 HD22 LEU 59 3.541 -6.046 -2.352 470 HD23 LEU 59 HD23 LEU 59 5.071 -6.919 -2.382 471 H GLN 60 H GLN 60 8.633 -5.553 -4.601 472 HA GLN 60 HA GLN 60 8.128 -3.105 -3.221 473 HB2 GLN 60 HB2 GLN 60 9.250 -5.056 -2.145 474 HB3 GLN 60 HB3 GLN 60 10.661 -4.789 -3.165 475 HG2 GLN 60 HG2 GLN 60 11.054 -2.605 -2.119 476 HG3 GLN 60 HG3 GLN 60 9.575 -2.762 -1.174 477 HE21 GLN 60 HE21 GLN 60 10.802 -2.453 0.737 478 HE22 GLN 60 HE22 GLN 60 11.774 -3.722 1.392 479 H MET 61 H MET 61 10.518 -4.091 -5.695 480 HA MET 61 HA MET 61 11.961 -1.684 -5.795 481 HB2 MET 61 HB2 MET 61 11.530 -3.767 -7.973 482 HB3 MET 61 HB3 MET 61 12.690 -2.447 -8.091 483 HG2 MET 61 HG2 MET 61 13.866 -3.336 -6.100 484 HG3 MET 61 HG3 MET 61 12.738 -4.693 -6.063 485 HE1 MET 61 HE1 MET 61 12.426 -5.184 -9.334 486 HE2 MET 61 HE2 MET 61 12.531 -6.466 -8.130 487 HE3 MET 61 HE3 MET 61 13.625 -6.461 -9.512 488 H ALA 62 H ALA 62 9.007 -2.736 -7.512 489 HA ALA 62 HA ALA 62 8.779 -0.485 -9.259 490 HB1 ALA 62 HB1 ALA 62 7.587 -2.590 -9.676 491 HB2 ALA 62 HB2 ALA 62 6.465 -1.231 -9.602 492 HB3 ALA 62 HB3 ALA 62 6.607 -2.336 -8.229 493 H LEU 63 H LEU 63 7.531 -1.248 -6.026 494 HA LEU 63 HA LEU 63 5.890 0.956 -5.553 495 HB2 LEU 63 HB2 LEU 63 7.581 -0.650 -3.604 496 HB3 LEU 63 HB3 LEU 63 6.398 0.546 -3.096 497 HG LEU 63 HG LEU 63 5.708 -1.937 -4.704 498 HD11 LEU 63 HD11 LEU 63 4.808 -2.885 -2.645 499 HD12 LEU 63 HD12 LEU 63 5.408 -1.498 -1.730 500 HD13 LEU 63 HD13 LEU 63 6.542 -2.595 -2.522 501 HD21 LEU 63 HD21 LEU 63 3.893 0.046 -3.296 502 HD22 LEU 63 HD22 LEU 63 3.376 -1.435 -4.106 503 HD23 LEU 63 HD23 LEU 63 4.097 -0.129 -5.042 504 H GLN 64 H GLN 64 9.407 0.557 -4.888 505 HA GLN 64 HA GLN 64 9.926 3.095 -3.866 506 HB2 GLN 64 HB2 GLN 64 11.838 1.429 -5.547 507 HB3 GLN 64 HB3 GLN 64 12.287 2.726 -4.442 508 HG2 GLN 64 HG2 GLN 64 11.179 -0.004 -3.747 509 HG3 GLN 64 HG3 GLN 64 12.766 0.652 -3.360 510 HE21 GLN 64 HE21 GLN 64 9.402 0.566 -2.472 511 HE22 GLN 64 HE22 GLN 64 9.572 1.391 -0.967 512 H VAL 65 H VAL 65 9.745 2.065 -7.305 513 HA VAL 65 HA VAL 65 10.762 4.422 -8.507 514 HB VAL 65 HB VAL 65 8.766 2.371 -9.580 515 HG11 VAL 65 HG11 VAL 65 8.565 4.442 -10.902 516 HG12 VAL 65 HG12 VAL 65 9.330 3.173 -11.860 517 HG13 VAL 65 HG13 VAL 65 10.310 4.465 -11.164 518 HG21 VAL 65 HG21 VAL 65 11.767 2.584 -10.013 519 HG22 VAL 65 HG22 VAL 65 10.704 1.376 -10.742 520 HG23 VAL 65 HG23 VAL 65 10.951 1.395 -8.995 521 H VAL 66 H VAL 66 7.565 3.509 -7.341 522 HA VAL 66 HA VAL 66 6.369 6.032 -8.326 523 HB VAL 66 HB VAL 66 4.166 4.970 -7.923 524 HG11 VAL 66 HG11 VAL 66 6.020 3.262 -9.633 525 HG12 VAL 66 HG12 VAL 66 5.198 4.739 -10.147 526 HG13 VAL 66 HG13 VAL 66 4.258 3.298 -9.755 527 HG21 VAL 66 HG21 VAL 66 4.762 3.457 -6.057 528 HG22 VAL 66 HG22 VAL 66 5.727 2.468 -7.150 529 HG23 VAL 66 HG23 VAL 66 3.975 2.563 -7.360 530 H ASN 67 H ASN 67 8.095 5.256 -5.793 531 HA ASN 67 HA ASN 67 8.533 6.168 -3.809 532 HB2 ASN 67 HB2 ASN 67 6.563 8.310 -4.675 533 HB3 ASN 67 HB3 ASN 67 7.703 8.462 -3.338 534 HD21 ASN 67 HD21 ASN 67 7.334 8.423 -6.797 535 HD22 ASN 67 HD22 ASN 67 8.941 8.935 -7.170 536 H ILE 68 H ILE 68 6.623 4.160 -3.795 537 HA ILE 68 HA ILE 68 5.118 4.663 -1.320 538 HB ILE 68 HB ILE 68 5.149 2.083 -2.965 539 HG12 ILE 68 HG12 ILE 68 4.325 3.863 -4.465 540 HG13 ILE 68 HG13 ILE 68 3.027 2.755 -4.047 541 HG21 ILE 68 HG21 ILE 68 4.357 1.828 -0.658 542 HG22 ILE 68 HG22 ILE 68 3.030 1.578 -1.792 543 HG23 ILE 68 HG23 ILE 68 3.154 3.098 -0.902 544 HD11 ILE 68 HD11 ILE 68 2.242 5.009 -4.086 545 HD12 ILE 68 HD12 ILE 68 3.477 5.509 -2.934 546 HD13 ILE 68 HD13 ILE 68 2.193 4.406 -2.430 547 H GLN 69 H GLN 69 6.575 4.449 0.395 548 HA GLN 69 HA GLN 69 8.826 2.577 0.169 549 HB2 GLN 69 HB2 GLN 69 9.559 3.401 2.379 550 HB3 GLN 69 HB3 GLN 69 9.338 4.709 1.233 551 HG2 GLN 69 HG2 GLN 69 7.002 4.135 3.003 552 HG3 GLN 69 HG3 GLN 69 8.430 4.769 3.802 553 HE21 GLN 69 HE21 GLN 69 9.105 6.875 3.321 554 HE22 GLN 69 HE22 GLN 69 8.055 8.019 2.587 555 H THR 70 H THR 70 9.200 0.858 1.650 556 HA THR 70 HA THR 70 6.717 -0.540 2.396 557 HB THR 70 HB THR 70 9.548 -1.656 2.093 558 HG1 THR 70 HG1 THR 70 7.790 -0.936 0.234 559 HG21 THR 70 HG21 THR 70 8.451 -3.871 2.106 560 HG22 THR 70 HG22 THR 70 6.885 -3.108 2.380 561 HG23 THR 70 HG23 THR 70 8.135 -3.021 3.623 562 H ILE 71 H ILE 71 6.158 -0.246 4.451 563 HA ILE 71 HA ILE 71 8.034 0.554 6.512 564 HB ILE 71 HB ILE 71 5.035 0.020 6.726 565 HG12 ILE 71 HG12 ILE 71 5.402 1.795 5.095 566 HG13 ILE 71 HG13 ILE 71 4.825 2.541 6.578 567 HG21 ILE 71 HG21 ILE 71 6.127 -0.044 8.933 568 HG22 ILE 71 HG22 ILE 71 5.125 1.400 8.787 569 HG23 ILE 71 HG23 ILE 71 6.877 1.523 8.627 570 HD11 ILE 71 HD11 ILE 71 7.669 2.492 5.580 571 HD12 ILE 71 HD12 ILE 71 7.146 3.191 7.115 572 HD13 ILE 71 HD13 ILE 71 6.568 3.865 5.596 573 H ALA 72 H ALA 72 5.940 -2.237 5.810 574 HA ALA 72 HA ALA 72 7.872 -4.031 7.080 575 HB1 ALA 72 HB1 ALA 72 4.915 -4.067 7.814 576 HB2 ALA 72 HB2 ALA 72 6.234 -3.567 8.875 577 HB3 ALA 72 HB3 ALA 72 6.126 -5.243 8.336 578 H MET 73 H MET 73 7.612 -6.243 6.364 579 HA MET 73 HA MET 73 5.720 -6.932 4.289 580 HB2 MET 73 HB2 MET 73 7.414 -5.751 2.933 581 HB3 MET 73 HB3 MET 73 8.693 -6.748 3.613 582 HG2 MET 73 HG2 MET 73 7.770 -8.731 2.516 583 HG3 MET 73 HG3 MET 73 6.413 -7.789 1.907 584 HE1 MET 73 HE1 MET 73 8.109 -5.523 -0.795 585 HE2 MET 73 HE2 MET 73 7.703 -5.096 0.865 586 HE3 MET 73 HE3 MET 73 6.578 -6.055 -0.098 587 H SER 74 H SER 74 5.203 -9.005 4.581 588 HA SER 74 HA SER 74 6.576 -10.740 6.393 589 HB2 SER 74 HB2 SER 74 4.122 -10.794 6.180 590 HB3 SER 74 HB3 SER 74 4.245 -11.266 4.489 591 HG SER 74 HG SER 74 4.887 -12.758 6.798 592 H ARG 75 H ARG 75 7.011 -13.084 5.673 593 HA ARG 75 HA ARG 75 9.125 -13.032 3.709 594 HB2 ARG 75 HB2 ARG 75 8.024 -15.387 5.294 595 HB3 ARG 75 HB3 ARG 75 9.593 -15.300 4.496 596 HG2 ARG 75 HG2 ARG 75 10.438 -13.748 6.111 597 HG3 ARG 75 HG3 ARG 75 8.824 -13.432 6.758 598 HD2 ARG 75 HD2 ARG 75 10.450 -15.979 7.033 599 HD3 ARG 75 HD3 ARG 75 9.975 -14.863 8.319 600 HE ARG 75 HE ARG 75 8.154 -16.662 6.823 601 HH11 ARG 75 HH11 ARG 75 8.783 -14.751 9.707 602 HH12 ARG 75 HH12 ARG 75 7.357 -15.313 10.521 603 HH21 ARG 75 HH21 ARG 75 6.288 -17.326 7.855 604 HH22 ARG 75 HH22 ARG 75 5.933 -16.779 9.463 605 H ALA 76 H ALA 76 9.171 -14.081 1.756 606 HA ALA 76 HA ALA 76 6.811 -14.518 0.266 607 HB1 ALA 76 HB1 ALA 76 9.664 -15.417 -0.329 608 HB2 ALA 76 HB2 ALA 76 8.967 -13.856 -0.760 609 HB3 ALA 76 HB3 ALA 76 8.348 -15.330 -1.504 610 H GLY 77 H GLY 77 5.621 -16.386 -0.080 611 HA2 GLY 77 HA2 GLY 77 5.087 -18.643 -0.073 612 HA3 GLY 77 HA3 GLY 77 6.584 -19.015 0.764 613 H SER 78 H SER 78 5.760 -16.741 2.750 614 HA SER 78 HA SER 78 4.263 -18.465 4.578 615 HB2 SER 78 HB2 SER 78 5.437 -15.671 4.990 616 HB3 SER 78 HB3 SER 78 4.744 -16.689 6.256 617 HG SER 78 HG SER 78 6.569 -18.136 5.015 618 H ARG 79 H ARG 79 2.093 -18.378 4.629 619 HA ARG 79 HA ARG 79 0.662 -15.924 3.799 620 HB2 ARG 79 HB2 ARG 79 0.165 -18.765 2.819 621 HB3 ARG 79 HB3 ARG 79 -1.057 -17.498 2.698 622 HG2 ARG 79 HG2 ARG 79 0.432 -16.146 1.290 623 HG3 ARG 79 HG3 ARG 79 1.705 -17.360 1.442 624 HD2 ARG 79 HD2 ARG 79 0.375 -18.985 0.228 625 HD3 ARG 79 HD3 ARG 79 -1.013 -17.897 0.220 626 HE ARG 79 HE ARG 79 0.006 -16.582 -1.413 627 HH11 ARG 79 HH11 ARG 79 2.054 -19.352 -0.646 628 HH12 ARG 79 HH12 ARG 79 3.011 -19.178 -2.081 629 HH21 ARG 79 HH21 ARG 79 1.244 -16.396 -3.276 630 HH22 ARG 79 HH22 ARG 79 2.548 -17.497 -3.568 631 HA PRO 80 HA PRO 80 -1.792 -15.367 3.672 632 HB2 PRO 80 HB2 PRO 80 -3.115 -13.539 5.214 633 HB3 PRO 80 HB3 PRO 80 -3.817 -15.122 4.812 634 HG2 PRO 80 HG2 PRO 80 -2.410 -14.286 7.338 635 HG3 PRO 80 HG3 PRO 80 -3.925 -15.200 7.150 636 HD2 PRO 80 HD2 PRO 80 -1.547 -16.432 7.655 637 HD3 PRO 80 HD3 PRO 80 -2.827 -17.202 6.693 638 H TRP 81 H TRP 81 -0.262 -14.171 2.801 639 HA TRP 81 HA TRP 81 1.934 -13.034 4.205 640 HB2 TRP 81 HB2 TRP 81 2.162 -14.001 1.939 641 HB3 TRP 81 HB3 TRP 81 1.065 -12.792 1.284 642 HD1 TRP 81 HD1 TRP 81 4.676 -13.208 2.518 643 HE1 TRP 81 HE1 TRP 81 6.058 -11.191 1.737 644 HE3 TRP 81 HE3 TRP 81 0.908 -10.312 0.624 645 HZ2 TRP 81 HZ2 TRP 81 5.630 -8.717 0.470 646 HZ3 TRP 81 HZ3 TRP 81 1.482 -8.133 -0.362 647 HH2 TRP 81 HH2 TRP 81 3.797 -7.352 -0.431 648 H LYS 82 H LYS 82 1.996 -11.044 5.163 649 HA LYS 82 HA LYS 82 0.049 -8.969 4.339 650 HB2 LYS 82 HB2 LYS 82 -0.299 -9.786 6.633 651 HB3 LYS 82 HB3 LYS 82 1.378 -9.432 7.037 652 HG2 LYS 82 HG2 LYS 82 0.954 -7.019 6.737 653 HG3 LYS 82 HG3 LYS 82 -0.714 -7.360 6.270 654 HD2 LYS 82 HD2 LYS 82 0.516 -7.977 8.982 655 HD3 LYS 82 HD3 LYS 82 -0.518 -6.593 8.619 656 HE2 LYS 82 HE2 LYS 82 -1.337 -9.519 8.483 657 HE3 LYS 82 HE3 LYS 82 -1.813 -8.350 9.715 658 HZ1 LYS 82 HZ1 LYS 82 -3.531 -8.680 8.052 659 HZ2 LYS 82 HZ2 LYS 82 -2.483 -8.155 6.837 660 HZ3 LYS 82 HZ3 LYS 82 -2.970 -7.088 8.051 661 H ALA 83 H ALA 83 0.794 -6.835 4.062 662 HA ALA 83 HA ALA 83 3.590 -6.166 4.616 663 HB1 ALA 83 HB1 ALA 83 3.929 -5.159 2.384 664 HB2 ALA 83 HB2 ALA 83 2.355 -5.773 1.863 665 HB3 ALA 83 HB3 ALA 83 3.651 -6.899 2.267 666 H TYR 84 H TYR 84 3.797 -4.089 5.237 667 HA TYR 84 HA TYR 84 1.468 -2.272 5.118 668 HB2 TYR 84 HB2 TYR 84 3.749 -2.477 7.133 669 HB3 TYR 84 HB3 TYR 84 2.666 -1.085 7.052 670 HD1 TYR 84 HD1 TYR 84 0.042 -1.859 6.897 671 HD2 TYR 84 HD2 TYR 84 3.162 -4.062 8.816 672 HE1 TYR 84 HE1 TYR 84 -1.619 -2.958 8.317 673 HE2 TYR 84 HE2 TYR 84 1.491 -5.167 10.242 674 HH TYR 84 HH TYR 84 -1.911 -4.884 9.643 675 H LEU 85 H LEU 85 1.682 -0.735 3.670 676 HA LEU 85 HA LEU 85 4.335 0.284 2.818 677 HB2 LEU 85 HB2 LEU 85 1.773 0.171 1.175 678 HB3 LEU 85 HB3 LEU 85 3.372 0.624 0.606 679 HG LEU 85 HG LEU 85 2.513 -2.177 1.445 680 HD11 LEU 85 HD11 LEU 85 2.712 -2.727 -0.945 681 HD12 LEU 85 HD12 LEU 85 3.028 -1.028 -1.312 682 HD13 LEU 85 HD13 LEU 85 1.468 -1.516 -0.640 683 HD21 LEU 85 HD21 LEU 85 4.700 -2.916 0.558 684 HD22 LEU 85 HD22 LEU 85 4.881 -1.842 1.941 685 HD23 LEU 85 HD23 LEU 85 5.172 -1.230 0.310 686 H SER 86 H SER 86 4.403 2.588 2.415 687 HA SER 86 HA SER 86 1.988 4.155 3.043 688 HB2 SER 86 HB2 SER 86 3.199 5.705 4.503 689 HB3 SER 86 HB3 SER 86 3.341 4.072 5.150 690 HG SER 86 HG SER 86 5.307 5.322 3.534 691 H ALA 87 H ALA 87 2.048 6.291 2.198 692 HA ALA 87 HA ALA 87 4.360 7.158 0.604 693 HB1 ALA 87 HB1 ALA 87 2.886 7.902 -1.235 694 HB2 ALA 87 HB2 ALA 87 1.489 7.200 -0.412 695 HB3 ALA 87 HB3 ALA 87 2.777 6.154 -1.008 696 H GLN 88 H GLN 88 4.415 9.478 0.373 697 HA GLN 88 HA GLN 88 2.381 11.102 1.701 698 HB2 GLN 88 HB2 GLN 88 4.357 10.386 3.328 699 HB3 GLN 88 HB3 GLN 88 5.299 11.562 2.431 700 HG2 GLN 88 HG2 GLN 88 2.718 12.215 3.887 701 HG3 GLN 88 HG3 GLN 88 4.310 12.370 4.612 702 HE21 GLN 88 HE21 GLN 88 5.670 14.049 3.924 703 HE22 GLN 88 HE22 GLN 88 5.079 15.394 3.018 704 H ASP 89 H ASP 89 1.912 12.697 0.247 705 HA ASP 89 HA ASP 89 3.763 12.997 -2.041 706 HB2 ASP 89 HB2 ASP 89 1.933 13.053 -3.455 707 HB3 ASP 89 HB3 ASP 89 1.237 12.104 -2.157 708 H ASP 90 H ASP 90 2.952 15.182 -3.293 709 HA ASP 90 HA ASP 90 4.370 17.251 -2.010 710 HB2 ASP 90 HB2 ASP 90 4.372 16.969 -4.447 711 HB3 ASP 90 HB3 ASP 90 2.635 17.239 -4.513 712 H THR 91 H THR 91 0.871 16.627 -2.255 713 HA THR 91 HA THR 91 0.146 19.282 -1.283 714 HB THR 91 HB THR 91 -2.191 18.561 -1.440 715 HG1 THR 91 HG1 THR 91 -1.167 15.977 -2.066 716 HG21 THR 91 HG21 THR 91 -1.104 19.252 -3.558 717 HG22 THR 91 HG22 THR 91 -2.349 18.031 -3.837 718 HG23 THR 91 HG23 THR 91 -0.646 17.572 -3.860 719 H GLY 92 H GLY 92 1.198 16.407 0.151 720 HA2 GLY 92 HA2 GLY 92 1.853 16.384 2.400 721 HA3 GLY 92 HA3 GLY 92 0.603 17.551 2.788 722 H CYS 93 H CYS 93 -0.295 14.771 0.870 723 HA CYS 93 HA CYS 93 -2.085 13.829 2.966 724 HB2 CYS 93 HB2 CYS 93 -1.597 12.562 0.243 725 HB3 CYS 93 HB3 CYS 93 -3.003 12.354 1.290 726 HG CYS 93 HG CYS 93 -2.379 14.615 -1.007 727 H LEU 94 H LEU 94 -1.672 12.187 4.374 728 HA LEU 94 HA LEU 94 0.642 10.423 3.961 729 HB2 LEU 94 HB2 LEU 94 -0.074 11.587 6.262 730 HB3 LEU 94 HB3 LEU 94 -1.188 10.242 6.385 731 HG LEU 94 HG LEU 94 0.922 9.876 7.676 732 HD11 LEU 94 HD11 LEU 94 1.398 7.607 6.972 733 HD12 LEU 94 HD12 LEU 94 0.633 7.895 5.410 734 HD13 LEU 94 HD13 LEU 94 -0.331 7.923 6.887 735 HD21 LEU 94 HD21 LEU 94 2.477 11.104 6.234 736 HD22 LEU 94 HD22 LEU 94 2.311 9.874 4.976 737 HD23 LEU 94 HD23 LEU 94 3.053 9.463 6.528 738 H PHE 95 H PHE 95 0.292 8.616 2.847 739 HA PHE 95 HA PHE 95 -2.359 7.319 2.713 740 HB2 PHE 95 HB2 PHE 95 0.065 7.031 0.883 741 HB3 PHE 95 HB3 PHE 95 -1.455 6.164 0.691 742 HD1 PHE 95 HD1 PHE 95 -3.526 7.382 0.039 743 HD2 PHE 95 HD2 PHE 95 0.299 9.323 0.122 744 HE1 PHE 95 HE1 PHE 95 -4.401 9.175 -1.395 745 HE2 PHE 95 HE2 PHE 95 -0.596 11.108 -1.313 746 HZ PHE 95 HZ PHE 95 -2.942 11.030 -2.067 747 H LEU 96 H LEU 96 -2.574 5.342 3.594 748 HA LEU 96 HA LEU 96 -0.200 3.683 4.183 749 HB2 LEU 96 HB2 LEU 96 -2.804 3.678 5.754 750 HB3 LEU 96 HB3 LEU 96 -1.316 2.842 6.155 751 HG LEU 96 HG LEU 96 -0.420 5.434 6.185 752 HD11 LEU 96 HD11 LEU 96 -2.022 6.898 7.306 753 HD12 LEU 96 HD12 LEU 96 -3.281 5.670 7.139 754 HD13 LEU 96 HD13 LEU 96 -2.587 6.426 5.702 755 HD21 LEU 96 HD21 LEU 96 -0.511 5.382 8.603 756 HD22 LEU 96 HD22 LEU 96 -0.059 3.801 7.964 757 HD23 LEU 96 HD23 LEU 96 -1.700 4.072 8.564 758 H THR 97 H THR 97 -0.278 1.651 3.376 759 HA THR 97 HA THR 97 -2.817 0.496 2.429 760 HB THR 97 HB THR 97 -0.126 0.180 1.025 761 HG1 THR 97 HG1 THR 97 -2.099 2.110 0.823 762 HG21 THR 97 HG21 THR 97 -1.674 -1.710 0.612 763 HG22 THR 97 HG22 THR 97 -1.471 -0.737 -0.847 764 HG23 THR 97 HG23 THR 97 -2.933 -0.570 0.125 765 H GLU 98 H GLU 98 -3.099 -1.672 2.790 766 HA GLU 98 HA GLU 98 -0.904 -3.287 3.927 767 HB2 GLU 98 HB2 GLU 98 -2.552 -2.751 5.700 768 HB3 GLU 98 HB3 GLU 98 -3.849 -3.395 4.699 769 HG2 GLU 98 HG2 GLU 98 -2.696 -5.645 4.786 770 HG3 GLU 98 HG3 GLU 98 -1.557 -4.950 5.943 771 H LEU 99 H LEU 99 -0.400 -4.823 2.466 772 HA LEU 99 HA LEU 99 -2.416 -5.835 0.556 773 HB2 LEU 99 HB2 LEU 99 0.612 -6.199 0.586 774 HB3 LEU 99 HB3 LEU 99 -0.473 -6.811 -0.655 775 HG LEU 99 HG LEU 99 0.178 -3.892 -0.083 776 HD11 LEU 99 HD11 LEU 99 0.793 -5.625 -2.492 777 HD12 LEU 99 HD12 LEU 99 1.943 -5.089 -1.264 778 HD13 LEU 99 HD13 LEU 99 1.174 -3.907 -2.319 779 HD21 LEU 99 HD21 LEU 99 -1.247 -3.319 -2.017 780 HD22 LEU 99 HD22 LEU 99 -2.184 -4.045 -0.715 781 HD23 LEU 99 HD23 LEU 99 -1.770 -5.003 -2.139 782 H LEU 100 H LEU 100 -3.274 -7.813 0.907 783 HA LEU 100 HA LEU 100 -1.892 -9.705 2.696 784 HB2 LEU 100 HB2 LEU 100 -3.840 -8.508 3.808 785 HB3 LEU 100 HB3 LEU 100 -4.897 -9.276 2.635 786 HG LEU 100 HG LEU 100 -4.143 -11.534 3.515 787 HD11 LEU 100 HD11 LEU 100 -3.001 -11.657 5.686 788 HD12 LEU 100 HD12 LEU 100 -2.781 -9.904 5.678 789 HD13 LEU 100 HD13 LEU 100 -1.992 -10.903 4.453 790 HD21 LEU 100 HD21 LEU 100 -5.461 -9.721 5.562 791 HD22 LEU 100 HD22 LEU 100 -5.505 -11.488 5.559 792 HD23 LEU 100 HD23 LEU 100 -6.270 -10.587 4.252 793 H LEU 101 H LEU 101 -1.470 -11.568 1.666 794 HA LEU 101 HA LEU 101 -2.941 -12.272 -0.790 795 HB2 LEU 101 HB2 LEU 101 -0.530 -11.837 -1.074 796 HB3 LEU 101 HB3 LEU 101 -0.156 -13.033 0.150 797 HG LEU 101 HG LEU 101 -1.052 -14.834 -1.316 798 HD11 LEU 101 HD11 LEU 101 -1.452 -12.654 -3.384 799 HD12 LEU 101 HD12 LEU 101 -2.722 -13.557 -2.554 800 HD13 LEU 101 HD13 LEU 101 -1.630 -14.392 -3.653 801 HD21 LEU 101 HD21 LEU 101 1.336 -14.319 -1.389 802 HD22 LEU 101 HD22 LEU 101 1.060 -13.132 -2.668 803 HD23 LEU 101 HD23 LEU 101 0.753 -14.846 -2.967 804 H GLU 102 H GLU 102 -4.264 -13.986 -0.648 805 HA GLU 102 HA GLU 102 -4.492 -15.401 1.849 806 HB2 GLU 102 HB2 GLU 102 -6.121 -15.426 -0.701 807 HB3 GLU 102 HB3 GLU 102 -6.494 -16.485 0.658 808 HG2 GLU 102 HG2 GLU 102 -6.444 -13.452 0.727 809 HG3 GLU 102 HG3 GLU 102 -7.888 -14.462 0.685 810 HA PRO 103 HA PRO 103 -2.329 -19.214 0.716 811 HB2 PRO 103 HB2 PRO 103 -3.493 -20.847 2.646 812 HB3 PRO 103 HB3 PRO 103 -2.146 -19.734 2.969 813 HG2 PRO 103 HG2 PRO 103 -5.077 -19.340 3.471 814 HG3 PRO 103 HG3 PRO 103 -3.690 -18.923 4.505 815 HD2 PRO 103 HD2 PRO 103 -4.953 -17.044 3.026 816 HD3 PRO 103 HD3 PRO 103 -3.198 -16.985 3.303 817 H GLY 104 H GLY 104 -5.872 -19.231 1.268 818 HA2 GLY 104 HA2 GLY 104 -6.479 -21.648 -0.082 819 HA3 GLY 104 HA3 GLY 104 -7.601 -20.337 0.250 820 H ASN 105 H ASN 105 -8.026 -18.788 -1.339 821 HA ASN 105 HA ASN 105 -7.218 -19.430 -4.082 822 HB2 ASN 105 HB2 ASN 105 -9.247 -17.398 -3.030 823 HB3 ASN 105 HB3 ASN 105 -8.949 -17.733 -4.733 824 HD21 ASN 105 HD21 ASN 105 -11.408 -18.001 -3.225 825 HD22 ASN 105 HD22 ASN 105 -11.905 -19.645 -3.389 826 H SER 106 H SER 106 -5.554 -18.451 -4.983 827 HA SER 106 HA SER 106 -3.954 -16.494 -3.758 828 HB2 SER 106 HB2 SER 106 -2.812 -16.435 -6.053 829 HB3 SER 106 HB3 SER 106 -2.930 -18.026 -5.302 830 HG SER 106 HG SER 106 -4.560 -16.955 -7.365 831 H GLU 107 H GLU 107 -5.142 -14.712 -3.258 832 HA GLU 107 HA GLU 107 -5.652 -12.790 -5.444 833 HB2 GLU 107 HB2 GLU 107 -7.528 -13.237 -3.077 834 HB3 GLU 107 HB3 GLU 107 -7.647 -11.895 -4.213 835 HG2 GLU 107 HG2 GLU 107 -8.033 -13.565 -6.050 836 HG3 GLU 107 HG3 GLU 107 -8.064 -14.840 -4.828 837 H MET 108 H MET 108 -5.208 -10.639 -4.909 838 HA MET 108 HA MET 108 -3.593 -10.233 -2.458 839 HB2 MET 108 HB2 MET 108 -2.362 -9.897 -4.640 840 HB3 MET 108 HB3 MET 108 -3.504 -8.619 -5.056 841 HG2 MET 108 HG2 MET 108 -1.443 -7.630 -4.186 842 HG3 MET 108 HG3 MET 108 -2.761 -7.333 -3.052 843 HE1 MET 108 HE1 MET 108 0.603 -10.434 -2.359 844 HE2 MET 108 HE2 MET 108 0.523 -9.366 -3.760 845 HE3 MET 108 HE3 MET 108 -0.647 -10.674 -3.581 846 H GLN 109 H GLN 109 -4.571 -9.014 -0.986 847 HA GLN 109 HA GLN 109 -7.050 -7.569 -1.626 848 HB2 GLN 109 HB2 GLN 109 -5.986 -8.514 1.072 849 HB3 GLN 109 HB3 GLN 109 -7.604 -7.903 0.734 850 HG2 GLN 109 HG2 GLN 109 -8.185 -9.861 -0.504 851 HG3 GLN 109 HG3 GLN 109 -6.515 -10.426 -0.538 852 HE21 GLN 109 HE21 GLN 109 -5.606 -11.224 1.388 853 HE22 GLN 109 HE22 GLN 109 -6.589 -11.819 2.673 854 H ILE 110 H ILE 110 -6.864 -5.441 -1.699 855 HA ILE 110 HA ILE 110 -4.530 -4.075 -0.526 856 HB ILE 110 HB ILE 110 -6.473 -3.041 -2.649 857 HG12 ILE 110 HG12 ILE 110 -3.679 -4.210 -3.047 858 HG13 ILE 110 HG13 ILE 110 -5.190 -4.942 -3.576 859 HG21 ILE 110 HG21 ILE 110 -3.800 -1.927 -1.726 860 HG22 ILE 110 HG22 ILE 110 -5.385 -1.264 -1.327 861 HG23 ILE 110 HG23 ILE 110 -4.819 -1.246 -2.997 862 HD11 ILE 110 HD11 ILE 110 -5.535 -2.975 -5.075 863 HD12 ILE 110 HD12 ILE 110 -4.137 -3.971 -5.457 864 HD13 ILE 110 HD13 ILE 110 -3.910 -2.425 -4.638 865 H SER 111 H SER 111 -5.015 -3.181 1.404 866 HA SER 111 HA SER 111 -7.649 -1.904 1.833 867 HB2 SER 111 HB2 SER 111 -5.523 -2.709 3.882 868 HB3 SER 111 HB3 SER 111 -7.100 -1.997 4.253 869 HG SER 111 HG SER 111 -7.337 -4.171 2.656 870 H VAL 112 H VAL 112 -7.450 0.106 1.039 871 HA VAL 112 HA VAL 112 -5.028 1.714 1.503 872 HB VAL 112 HB VAL 112 -7.462 2.465 -0.193 873 HG11 VAL 112 HG11 VAL 112 -4.697 3.730 -0.013 874 HG12 VAL 112 HG12 VAL 112 -6.194 4.415 0.623 875 HG13 VAL 112 HG13 VAL 112 -5.978 4.236 -1.119 876 HG21 VAL 112 HG21 VAL 112 -4.804 1.341 -1.148 877 HG22 VAL 112 HG22 VAL 112 -6.090 1.953 -2.191 878 HG23 VAL 112 HG23 VAL 112 -6.363 0.513 -1.206 879 H LYS 113 H LYS 113 -5.070 2.995 3.174 880 HA LYS 113 HA LYS 113 -7.514 4.262 4.192 881 HB2 LYS 113 HB2 LYS 113 -7.111 2.329 5.606 882 HB3 LYS 113 HB3 LYS 113 -5.392 2.680 5.695 883 HG2 LYS 113 HG2 LYS 113 -5.919 4.724 7.019 884 HG3 LYS 113 HG3 LYS 113 -7.628 4.270 6.973 885 HD2 LYS 113 HD2 LYS 113 -5.374 2.649 8.220 886 HD3 LYS 113 HD3 LYS 113 -6.594 3.569 9.098 887 HE2 LYS 113 HE2 LYS 113 -8.349 2.068 8.132 888 HE3 LYS 113 HE3 LYS 113 -7.074 1.114 7.374 889 HZ1 LYS 113 HZ1 LYS 113 -7.351 1.566 10.291 890 HZ2 LYS 113 HZ2 LYS 113 -6.217 0.574 9.523 891 HZ3 LYS 113 HZ3 LYS 113 -7.854 0.179 9.466 892 H GLN 114 H GLN 114 -7.062 6.444 4.661 893 HA GLN 114 HA GLN 114 -4.273 7.320 4.746 894 HB2 GLN 114 HB2 GLN 114 -4.660 9.064 2.987 895 HB3 GLN 114 HB3 GLN 114 -4.688 7.416 2.372 896 HG2 GLN 114 HG2 GLN 114 -7.207 7.522 2.418 897 HG3 GLN 114 HG3 GLN 114 -7.071 9.233 2.827 898 HE21 GLN 114 HE21 GLN 114 -6.292 10.696 1.225 899 HE22 GLN 114 HE22 GLN 114 -6.224 10.264 -0.447 900 H ASN 115 H ASN 115 -4.111 9.601 5.275 901 HA ASN 115 HA ASN 115 -5.322 10.081 7.729 902 HB2 ASN 115 HB2 ASN 115 -3.123 10.959 7.197 903 HB3 ASN 115 HB3 ASN 115 -3.763 11.896 5.854 904 HD21 ASN 115 HD21 ASN 115 -3.588 11.663 9.329 905 HD22 ASN 115 HD22 ASN 115 -3.991 13.313 9.641 906 H GLU 116 H GLU 116 -5.882 11.686 4.620 907 HA GLU 116 HA GLU 116 -8.675 12.315 5.317 908 HB2 GLU 116 HB2 GLU 116 -6.676 14.326 4.153 909 HB3 GLU 116 HB3 GLU 116 -8.419 14.575 4.189 910 HG2 GLU 116 HG2 GLU 116 -8.402 14.546 6.642 911 HG3 GLU 116 HG3 GLU 116 -6.672 14.224 6.644 912 H ALA 117 H ALA 117 -9.805 11.239 3.808 913 HA ALA 117 HA ALA 117 -8.541 10.351 1.333 914 HB1 ALA 117 HB1 ALA 117 -9.790 8.728 2.693 915 HB2 ALA 117 HB2 ALA 117 -10.536 8.909 1.105 916 HB3 ALA 117 HB3 ALA 117 -11.263 9.684 2.516 917 H ARG 118 H ARG 118 -8.604 11.677 -0.364 918 HA ARG 118 HA ARG 118 -11.073 13.173 -1.014 919 HB2 ARG 118 HB2 ARG 118 -9.045 14.568 -0.972 920 HB3 ARG 118 HB3 ARG 118 -8.220 13.462 -2.061 921 HG2 ARG 118 HG2 ARG 118 -9.823 14.047 -3.861 922 HG3 ARG 118 HG3 ARG 118 -10.637 15.163 -2.762 923 HD2 ARG 118 HD2 ARG 118 -8.556 16.484 -2.577 924 HD3 ARG 118 HD3 ARG 118 -7.756 15.366 -3.688 925 HE ARG 118 HE ARG 118 -10.003 16.279 -5.016 926 HH11 ARG 118 HH11 ARG 118 -7.089 17.747 -3.683 927 HH12 ARG 118 HH12 ARG 118 -7.073 19.038 -4.844 928 HH21 ARG 118 HH21 ARG 118 -9.950 17.971 -6.521 929 HH22 ARG 118 HH22 ARG 118 -8.690 19.163 -6.443 930 H THR 119 H THR 119 -12.105 12.734 -2.991 931 HA THR 119 HA THR 119 -12.180 10.104 -3.883 932 HB THR 119 HB THR 119 -13.080 12.596 -5.394 933 HG1 THR 119 HG1 THR 119 -13.916 11.526 -3.068 934 HG21 THR 119 HG21 THR 119 -13.123 10.568 -6.821 935 HG22 THR 119 HG22 THR 119 -14.754 11.118 -6.450 936 HG23 THR 119 HG23 THR 119 -14.089 9.728 -5.594 937 H GLU 120 H GLU 120 -10.604 12.921 -5.379 938 HA GLU 120 HA GLU 120 -9.569 11.674 -7.683 939 HB2 GLU 120 HB2 GLU 120 -9.850 14.096 -7.511 940 HB3 GLU 120 HB3 GLU 120 -8.673 14.175 -6.202 941 HG2 GLU 120 HG2 GLU 120 -6.898 13.425 -7.778 942 HG3 GLU 120 HG3 GLU 120 -8.086 13.396 -9.082 943 H THR 121 H THR 121 -7.956 12.476 -4.552 944 HA THR 121 HA THR 121 -5.380 11.554 -5.259 945 HB THR 121 HB THR 121 -4.865 11.623 -2.820 946 HG1 THR 121 HG1 THR 121 -6.707 12.391 -1.475 947 HG21 THR 121 HG21 THR 121 -5.360 14.031 -2.435 948 HG22 THR 121 HG22 THR 121 -6.520 14.007 -3.765 949 HG23 THR 121 HG23 THR 121 -4.804 13.750 -4.089 950 H LEU 122 H LEU 122 -8.023 10.010 -3.469 951 HA LEU 122 HA LEU 122 -6.893 7.563 -2.832 952 HB2 LEU 122 HB2 LEU 122 -9.007 8.400 -1.896 953 HB3 LEU 122 HB3 LEU 122 -9.781 8.260 -3.464 954 HG LEU 122 HG LEU 122 -9.543 5.773 -3.356 955 HD11 LEU 122 HD11 LEU 122 -8.897 4.673 -1.261 956 HD12 LEU 122 HD12 LEU 122 -8.444 6.235 -0.573 957 HD13 LEU 122 HD13 LEU 122 -7.566 5.590 -1.962 958 HD21 LEU 122 HD21 LEU 122 -10.976 6.949 -0.957 959 HD22 LEU 122 HD22 LEU 122 -11.272 5.364 -1.676 960 HD23 LEU 122 HD23 LEU 122 -11.624 6.826 -2.595 961 H ASN 123 H ASN 123 -8.875 8.431 -5.700 962 HA ASN 123 HA ASN 123 -8.896 5.808 -6.842 963 HB2 ASN 123 HB2 ASN 123 -9.529 8.522 -8.065 964 HB3 ASN 123 HB3 ASN 123 -9.669 7.023 -8.983 965 HD21 ASN 123 HD21 ASN 123 -11.718 8.965 -8.191 966 HD22 ASN 123 HD22 ASN 123 -12.912 8.058 -7.338 967 H SER 124 H SER 124 -6.862 8.631 -7.350 968 HA SER 124 HA SER 124 -5.316 7.649 -9.518 969 HB2 SER 124 HB2 SER 124 -5.464 10.046 -9.020 970 HB3 SER 124 HB3 SER 124 -4.711 9.800 -7.445 971 HG SER 124 HG SER 124 -3.111 10.452 -8.763 972 H PHE 125 H PHE 125 -4.907 7.515 -5.983 973 HA PHE 125 HA PHE 125 -2.306 6.370 -5.919 974 HB2 PHE 125 HB2 PHE 125 -3.316 7.551 -3.984 975 HB3 PHE 125 HB3 PHE 125 -4.534 6.292 -3.835 976 HD1 PHE 125 HD2 PHE 125 -0.853 6.912 -3.628 977 HD2 PHE 125 HD1 PHE 125 -4.099 4.355 -2.497 978 HE1 PHE 125 HE2 PHE 125 0.630 5.675 -2.113 979 HE2 PHE 125 HE1 PHE 125 -2.599 3.133 -0.988 980 HZ PHE 125 HZ PHE 125 -0.236 3.787 -0.795 981 H ILE 126 H ILE 126 -5.577 4.994 -5.876 982 HA ILE 126 HA ILE 126 -5.005 2.253 -5.634 983 HB ILE 126 HB ILE 126 -7.284 3.604 -7.159 984 HG12 ILE 126 HG12 ILE 126 -7.441 2.370 -4.379 985 HG13 ILE 126 HG13 ILE 126 -7.041 4.065 -4.628 986 HG21 ILE 126 HG21 ILE 126 -7.058 1.273 -7.919 987 HG22 ILE 126 HG22 ILE 126 -8.526 1.461 -6.959 988 HG23 ILE 126 HG23 ILE 126 -7.098 0.705 -6.247 989 HD11 ILE 126 HD11 ILE 126 -9.604 2.723 -5.478 990 HD12 ILE 126 HD12 ILE 126 -9.197 4.426 -5.713 991 HD13 ILE 126 HD13 ILE 126 -9.380 3.779 -4.083 992 H SER 127 H SER 127 -5.269 4.402 -8.471 993 HA SER 127 HA SER 127 -4.978 2.532 -10.550 994 HB2 SER 127 HB2 SER 127 -4.229 5.490 -10.498 995 HB3 SER 127 HB3 SER 127 -4.325 4.504 -11.963 996 HG SER 127 HG SER 127 -6.559 4.054 -11.179 997 H VAL 128 H VAL 128 -2.541 4.365 -8.723 998 HA VAL 128 HA VAL 128 -0.192 3.566 -10.019 999 HB VAL 128 HB VAL 128 -0.679 4.259 -7.084 1000 HG11 VAL 128 HG11 VAL 128 1.394 2.942 -7.219 1001 HG12 VAL 128 HG12 VAL 128 1.767 4.630 -6.871 1002 HG13 VAL 128 HG13 VAL 128 1.999 3.993 -8.501 1003 HG21 VAL 128 HG21 VAL 128 -1.169 6.098 -8.655 1004 HG22 VAL 128 HG22 VAL 128 0.440 5.940 -9.362 1005 HG23 VAL 128 HG23 VAL 128 0.262 6.473 -7.688 1006 H LEU 129 H LEU 129 -1.772 2.132 -7.121 1007 HA LEU 129 HA LEU 129 -0.135 -0.105 -6.798 1008 HB2 LEU 129 HB2 LEU 129 -3.089 0.138 -6.116 1009 HB3 LEU 129 HB3 LEU 129 -1.983 -1.062 -5.454 1010 HG LEU 129 HG LEU 129 -1.797 1.945 -5.003 1011 HD11 LEU 129 HD11 LEU 129 -2.678 -0.252 -3.121 1012 HD12 LEU 129 HD12 LEU 129 -3.706 0.982 -3.857 1013 HD13 LEU 129 HD13 LEU 129 -2.466 1.452 -2.699 1014 HD21 LEU 129 HD21 LEU 129 -0.047 1.425 -3.348 1015 HD22 LEU 129 HD22 LEU 129 0.436 0.938 -4.969 1016 HD23 LEU 129 HD23 LEU 129 -0.102 -0.280 -3.809 1017 H GLU 130 H GLU 130 -3.000 0.246 -8.869 1018 HA GLU 130 HA GLU 130 -3.355 -2.455 -9.631 1019 HB2 GLU 130 HB2 GLU 130 -3.985 0.007 -11.312 1020 HB3 GLU 130 HB3 GLU 130 -4.673 -1.600 -11.527 1021 HG2 GLU 130 HG2 GLU 130 -5.163 0.331 -9.252 1022 HG3 GLU 130 HG3 GLU 130 -6.306 -0.178 -10.484 1023 H THR 131 H THR 131 -1.471 0.199 -11.020 1024 HA THR 131 HA THR 131 -0.409 -1.092 -13.276 1025 HB THR 131 HB THR 131 0.739 1.203 -11.629 1026 HG1 THR 131 HG1 THR 131 -1.457 1.216 -12.831 1027 HG21 THR 131 HG21 THR 131 1.403 0.401 -14.489 1028 HG22 THR 131 HG22 THR 131 2.486 0.229 -13.105 1029 HG23 THR 131 HG23 THR 131 1.999 1.835 -13.660 1030 H VAL 132 H VAL 132 0.829 -0.822 -9.924 1031 HA VAL 132 HA VAL 132 3.354 -2.033 -10.322 1032 HB VAL 132 HB VAL 132 1.706 -1.878 -7.748 1033 HG11 VAL 132 HG11 VAL 132 4.669 -2.466 -8.120 1034 HG12 VAL 132 HG12 VAL 132 3.453 -3.605 -7.547 1035 HG13 VAL 132 HG13 VAL 132 3.875 -2.204 -6.562 1036 HG21 VAL 132 HG21 VAL 132 3.912 -0.039 -8.768 1037 HG22 VAL 132 HG22 VAL 132 3.092 0.113 -7.212 1038 HG23 VAL 132 HG23 VAL 132 2.194 0.357 -8.711 1039 H ILE 133 H ILE 133 0.289 -3.421 -9.081 1040 HA ILE 133 HA ILE 133 1.124 -6.090 -8.731 1041 HB ILE 133 HB ILE 133 -1.622 -4.855 -9.194 1042 HG12 ILE 133 HG12 ILE 133 -0.195 -5.888 -6.700 1043 HG13 ILE 133 HG13 ILE 133 -0.655 -4.224 -7.055 1044 HG21 ILE 133 HG21 ILE 133 -1.114 -7.773 -8.512 1045 HG22 ILE 133 HG22 ILE 133 -1.771 -7.166 -10.030 1046 HG23 ILE 133 HG23 ILE 133 -2.696 -6.986 -8.542 1047 HD11 ILE 133 HD11 ILE 133 -2.521 -6.510 -6.430 1048 HD12 ILE 133 HD12 ILE 133 -3.024 -4.877 -6.877 1049 HD13 ILE 133 HD13 ILE 133 -2.112 -5.142 -5.393 1050 H GLY 134 H GLY 134 -0.361 -4.431 -11.465 1051 HA2 GLY 134 HA2 GLY 134 -0.778 -6.538 -13.240 1052 HA3 GLY 134 HA3 GLY 134 -0.526 -4.866 -13.700 1053 H THR 135 H THR 135 2.080 -4.495 -12.767 1054 HA THR 135 HA THR 135 3.559 -5.390 -15.011 1055 HB THR 135 HB THR 135 4.623 -4.049 -12.483 1056 HG1 THR 135 HG1 THR 135 2.887 -3.083 -14.092 1057 HG21 THR 135 HG21 THR 135 6.453 -3.245 -13.947 1058 HG22 THR 135 HG22 THR 135 5.794 -4.186 -15.287 1059 HG23 THR 135 HG23 THR 135 6.440 -5.009 -13.864 1060 H ILE 136 H ILE 136 3.203 -6.667 -11.749 1061 HA ILE 136 HA ILE 136 5.484 -8.426 -11.817 1062 HB ILE 136 HB ILE 136 2.959 -8.826 -10.149 1063 HG12 ILE 136 HG12 ILE 136 5.425 -7.226 -9.323 1064 HG13 ILE 136 HG13 ILE 136 3.910 -6.506 -9.848 1065 HG21 ILE 136 HG21 ILE 136 4.476 -10.043 -8.595 1066 HG22 ILE 136 HG22 ILE 136 5.832 -9.744 -9.686 1067 HG23 ILE 136 HG23 ILE 136 4.493 -10.769 -10.205 1068 HD11 ILE 136 HD11 ILE 136 4.076 -6.452 -7.461 1069 HD12 ILE 136 HD12 ILE 136 4.325 -8.196 -7.391 1070 HD13 ILE 136 HD13 ILE 136 2.775 -7.543 -7.935 1071 H GLU 137 H GLU 137 2.040 -8.616 -12.650 1072 HA GLU 137 HA GLU 137 2.123 -11.477 -13.239 1073 HB2 GLU 137 HB2 GLU 137 -0.166 -9.479 -13.388 1074 HB3 GLU 137 HB3 GLU 137 -0.316 -11.218 -13.657 1075 HG2 GLU 137 HG2 GLU 137 0.598 -11.532 -11.289 1076 HG3 GLU 137 HG3 GLU 137 0.380 -9.795 -11.072 1077 H GLU 138 H GLU 138 3.318 -9.109 -14.960 1078 HA GLU 138 HA GLU 138 2.306 -9.579 -17.607 1079 HB2 GLU 138 HB2 GLU 138 4.937 -8.448 -16.578 1080 HB3 GLU 138 HB3 GLU 138 4.481 -8.461 -18.279 1081 HG2 GLU 138 HG2 GLU 138 2.904 -7.049 -16.108 1082 HG3 GLU 138 HG3 GLU 138 4.137 -6.277 -17.103 1083 H ILE 139 H ILE 139 4.248 -10.256 -19.286 1084 HA ILE 139 HA ILE 139 4.867 -13.017 -18.834 1085 HB ILE 139 HB ILE 139 5.980 -11.126 -20.964 1086 HG12 ILE 139 HG12 ILE 139 3.642 -13.094 -21.097 1087 HG13 ILE 139 HG13 ILE 139 3.502 -11.343 -21.057 1088 HG21 ILE 139 HG21 ILE 139 6.050 -14.176 -20.864 1089 HG22 ILE 139 HG22 ILE 139 7.437 -13.102 -20.675 1090 HG23 ILE 139 HG23 ILE 139 6.594 -13.183 -22.221 1091 HD11 ILE 139 HD11 ILE 139 4.602 -11.213 -23.243 1092 HD12 ILE 139 HD12 ILE 139 3.139 -12.195 -23.283 1093 HD13 ILE 139 HD13 ILE 139 4.720 -12.976 -23.283 1094 H LYS 140 H LYS 140 6.228 -13.557 -17.306 1095 HA LYS 140 HA LYS 140 7.787 -13.630 -15.722 1096 HB2 LYS 140 HB2 LYS 140 9.487 -11.859 -17.508 1097 HB3 LYS 140 HB3 LYS 140 10.062 -12.760 -16.107 1098 HG2 LYS 140 HG2 LYS 140 9.530 -14.883 -17.243 1099 HG3 LYS 140 HG3 LYS 140 8.920 -13.990 -18.642 1100 HD2 LYS 140 HD2 LYS 140 11.216 -13.000 -18.931 1101 HD3 LYS 140 HD3 LYS 140 11.792 -14.032 -17.618 1102 HE2 LYS 140 HE2 LYS 140 12.337 -15.021 -19.789 1103 HE3 LYS 140 HE3 LYS 140 11.170 -16.030 -18.936 1104 HZ1 LYS 140 HZ1 LYS 140 10.566 -14.126 -21.136 1105 HZ2 LYS 140 HZ2 LYS 140 9.412 -15.027 -20.292 1106 HZ3 LYS 140 HZ3 LYS 140 10.566 -15.814 -21.237 1107 H SER 141 H SER 141 8.413 -10.272 -16.813 1108 HA SER 141 HA SER 141 6.749 -8.960 -14.947 1109 HB2 SER 141 HB2 SER 141 8.643 -7.921 -13.531 1110 HB3 SER 141 HB3 SER 141 8.245 -9.601 -13.174 1111 HG SER 141 HG SER 141 10.068 -9.785 -14.984 Start of MODEL 15 1 H1 MET 1 H1 MET 1 4.251 68.326 -3.280 2 H2 MET 1 H2 MET 1 5.212 69.547 -2.619 3 H3 MET 1 H3 MET 1 4.120 68.710 -1.638 4 HA MET 1 HA MET 1 6.477 67.537 -2.992 5 HB2 MET 1 HB2 MET 1 7.582 67.461 -0.850 6 HB3 MET 1 HB3 MET 1 7.006 69.107 -1.062 7 HG2 MET 1 HG2 MET 1 5.792 66.970 0.705 8 HG3 MET 1 HG3 MET 1 6.637 68.429 1.223 9 HE1 MET 1 HE1 MET 1 2.871 69.032 2.310 10 HE2 MET 1 HE2 MET 1 4.533 68.896 2.883 11 HE3 MET 1 HE3 MET 1 3.691 67.473 2.266 12 H GLY 2 H GLY 2 6.895 65.319 -2.387 13 HA2 GLY 2 HA2 GLY 2 6.370 63.148 -1.905 14 HA3 GLY 2 HA3 GLY 2 5.222 63.757 -0.722 15 H HIS 3 H HIS 3 3.654 62.211 -1.188 16 HA HIS 3 HA HIS 3 1.733 61.410 -2.051 17 HB2 HIS 3 HB2 HIS 3 1.773 63.905 -3.798 18 HB3 HIS 3 HB3 HIS 3 0.381 62.855 -3.562 19 HD1 HIS 3 HD1 HIS 3 1.843 65.896 -2.282 20 HD2 HIS 3 HD2 HIS 3 -0.442 62.819 -0.666 21 HE1 HIS 3 HE1 HIS 3 0.804 66.846 -0.202 22 HE2 HIS 3 HE2 HIS 3 -0.605 64.986 0.728 23 H HIS 4 H HIS 4 4.398 60.868 -3.356 24 HA HIS 4 HA HIS 4 3.743 60.234 -6.139 25 HB2 HIS 4 HB2 HIS 4 5.998 61.200 -5.325 26 HB3 HIS 4 HB3 HIS 4 6.334 59.616 -4.644 27 HD1 HIS 4 HD1 HIS 4 5.880 61.377 -7.952 28 HD2 HIS 4 HD2 HIS 4 7.287 57.744 -6.502 29 HE1 HIS 4 HE1 HIS 4 6.995 60.256 -9.898 30 HE2 HIS 4 HE2 HIS 4 8.003 58.164 -8.950 31 H HIS 5 H HIS 5 3.151 58.781 -3.196 32 HA HIS 5 HA HIS 5 3.857 56.077 -3.650 33 HB2 HIS 5 HB2 HIS 5 3.311 56.983 -1.384 34 HB3 HIS 5 HB3 HIS 5 1.621 57.132 -1.863 35 HD1 HIS 5 HD1 HIS 5 4.210 54.584 -0.924 36 HD2 HIS 5 HD2 HIS 5 0.184 54.685 -1.954 37 HE1 HIS 5 HE1 HIS 5 3.322 52.288 -0.431 38 HE2 HIS 5 HE2 HIS 5 0.945 52.331 -1.226 39 H HIS 6 H HIS 6 3.166 54.969 -5.325 40 HA HIS 6 HA HIS 6 0.307 54.647 -5.922 41 HB2 HIS 6 HB2 HIS 6 2.416 55.360 -8.030 42 HB3 HIS 6 HB3 HIS 6 0.783 54.813 -8.402 43 HD1 HIS 6 HD1 HIS 6 -1.143 56.479 -7.275 44 HD2 HIS 6 HD2 HIS 6 2.625 58.077 -7.993 45 HE1 HIS 6 HE1 HIS 6 -1.458 58.961 -7.309 46 HE2 HIS 6 HE2 HIS 6 0.774 59.871 -7.987 47 H HIS 7 H HIS 7 0.535 52.938 -8.068 48 HA HIS 7 HA HIS 7 1.080 50.915 -8.877 49 HB2 HIS 7 HB2 HIS 7 3.585 51.081 -7.144 50 HB3 HIS 7 HB3 HIS 7 3.269 49.810 -8.319 51 HD1 HIS 7 HD1 HIS 7 4.692 50.214 -10.327 52 HD2 HIS 7 HD2 HIS 7 3.284 53.780 -8.730 53 HE1 HIS 7 HE1 HIS 7 5.583 52.026 -11.818 54 HE2 HIS 7 HE2 HIS 7 4.537 54.133 -10.949 55 H HIS 8 H HIS 8 -0.788 50.017 -7.994 56 HA HIS 8 HA HIS 8 -0.808 48.704 -5.409 57 HB2 HIS 8 HB2 HIS 8 -2.767 48.608 -7.742 58 HB3 HIS 8 HB3 HIS 8 -3.013 47.729 -6.238 59 HD1 HIS 8 HD1 HIS 8 -4.088 50.704 -7.795 60 HD2 HIS 8 HD2 HIS 8 -2.926 49.739 -3.922 61 HE1 HIS 8 HE1 HIS 8 -5.067 52.496 -6.337 62 HE2 HIS 8 HE2 HIS 8 -4.481 51.800 -3.993 63 H SER 9 H SER 9 0.791 47.156 -5.327 64 HA SER 9 HA SER 9 0.947 45.099 -7.448 65 HB2 SER 9 HB2 SER 9 3.225 44.637 -6.428 66 HB3 SER 9 HB3 SER 9 3.047 46.244 -7.129 67 HG SER 9 HG SER 9 3.946 46.619 -5.186 68 H HIS 10 H HIS 10 -1.051 44.200 -6.472 69 HA HIS 10 HA HIS 10 -0.334 41.979 -4.686 70 HB2 HIS 10 HB2 HIS 10 -2.652 43.902 -4.187 71 HB3 HIS 10 HB3 HIS 10 -2.702 42.251 -3.594 72 HD1 HIS 10 HD1 HIS 10 -2.465 45.175 -2.038 73 HD2 HIS 10 HD2 HIS 10 0.285 42.062 -2.257 74 HE1 HIS 10 HE1 HIS 10 -0.997 45.423 -0.010 75 HE2 HIS 10 HE2 HIS 10 0.619 43.501 -0.140 76 H MET 11 H MET 11 -0.512 40.427 -6.268 77 HA MET 11 HA MET 11 -3.183 40.071 -7.516 78 HB2 MET 11 HB2 MET 11 -1.385 40.592 -9.193 79 HB3 MET 11 HB3 MET 11 -0.510 39.158 -8.669 80 HG2 MET 11 HG2 MET 11 -1.702 38.700 -10.737 81 HG3 MET 11 HG3 MET 11 -2.417 37.749 -9.433 82 HE1 MET 11 HE1 MET 11 -5.426 38.760 -11.905 83 HE2 MET 11 HE2 MET 11 -4.569 37.387 -11.208 84 HE3 MET 11 HE3 MET 11 -3.755 38.438 -12.367 85 H GLN 12 H GLN 12 -4.057 38.730 -6.004 86 HA GLN 12 HA GLN 12 -2.696 36.470 -4.873 87 HB2 GLN 12 HB2 GLN 12 -4.944 35.849 -3.964 88 HB3 GLN 12 HB3 GLN 12 -4.498 37.506 -3.593 89 HG2 GLN 12 HG2 GLN 12 -6.028 38.348 -5.295 90 HG3 GLN 12 HG3 GLN 12 -6.390 36.707 -5.824 91 HE21 GLN 12 HE21 GLN 12 -8.606 36.893 -5.430 92 HE22 GLN 12 HE22 GLN 12 -9.274 36.997 -3.839 93 H GLU 13 H GLU 13 -2.345 34.558 -5.839 94 HA GLU 13 HA GLU 13 -4.321 33.285 -7.516 95 HB2 GLU 13 HB2 GLU 13 -3.011 34.737 -9.146 96 HB3 GLU 13 HB3 GLU 13 -1.570 33.802 -8.757 97 HG2 GLU 13 HG2 GLU 13 -2.655 31.754 -9.619 98 HG3 GLU 13 HG3 GLU 13 -4.123 32.664 -9.971 99 H LEU 14 H LEU 14 -3.968 32.325 -5.283 100 HA LEU 14 HA LEU 14 -1.787 30.414 -5.049 101 HB2 LEU 14 HB2 LEU 14 -4.306 30.755 -3.353 102 HB3 LEU 14 HB3 LEU 14 -3.012 29.618 -3.017 103 HG LEU 14 HG LEU 14 -1.461 31.739 -2.907 104 HD11 LEU 14 HD11 LEU 14 -2.536 33.804 -2.177 105 HD12 LEU 14 HD12 LEU 14 -4.128 33.094 -2.459 106 HD13 LEU 14 HD13 LEU 14 -3.028 33.364 -3.813 107 HD21 LEU 14 HD21 LEU 14 -1.963 30.323 -0.986 108 HD22 LEU 14 HD22 LEU 14 -3.463 31.207 -0.695 109 HD23 LEU 14 HD23 LEU 14 -1.906 32.023 -0.520 110 HA PRO 15 HA PRO 15 -4.127 27.701 -7.818 111 HB2 PRO 15 HB2 PRO 15 -1.974 25.683 -7.401 112 HB3 PRO 15 HB3 PRO 15 -2.415 26.561 -8.881 113 HG2 PRO 15 HG2 PRO 15 -0.116 27.080 -7.565 114 HG3 PRO 15 HG3 PRO 15 -1.027 28.359 -8.405 115 HD2 PRO 15 HD2 PRO 15 -1.011 27.687 -5.456 116 HD3 PRO 15 HD3 PRO 15 -0.882 29.277 -6.245 117 H ASP 16 H ASP 16 -5.868 27.331 -6.446 118 HA ASP 16 HA ASP 16 -5.876 25.539 -4.230 119 HB2 ASP 16 HB2 ASP 16 -7.512 27.398 -4.465 120 HB3 ASP 16 HB3 ASP 16 -8.212 26.620 -5.878 121 H SER 17 H SER 17 -4.884 23.683 -5.015 122 HA SER 17 HA SER 17 -6.453 21.797 -6.587 123 HB2 SER 17 HB2 SER 17 -3.689 22.776 -7.481 124 HB3 SER 17 HB3 SER 17 -4.531 21.398 -8.182 125 HG SER 17 HG SER 17 -5.905 23.831 -8.145 126 H GLY 18 H GLY 18 -6.071 19.738 -5.870 127 HA2 GLY 18 HA2 GLY 18 -4.186 19.153 -3.763 128 HA3 GLY 18 HA3 GLY 18 -5.209 18.003 -4.616 129 H ALA 19 H ALA 19 -4.556 17.470 -6.854 130 HA ALA 19 HA ALA 19 -3.200 16.380 -8.257 131 HB1 ALA 19 HB1 ALA 19 -1.231 17.543 -9.118 132 HB2 ALA 19 HB2 ALA 19 -1.269 18.659 -7.752 133 HB3 ALA 19 HB3 ALA 19 -2.586 18.657 -8.925 134 H LEU 20 H LEU 20 -2.771 14.445 -7.352 135 HA LEU 20 HA LEU 20 -1.071 14.036 -5.099 136 HB2 LEU 20 HB2 LEU 20 -2.965 12.527 -5.635 137 HB3 LEU 20 HB3 LEU 20 -2.156 12.028 -7.112 138 HG LEU 20 HG LEU 20 -0.312 11.015 -5.749 139 HD11 LEU 20 HD11 LEU 20 -2.015 11.760 -3.368 140 HD12 LEU 20 HD12 LEU 20 -0.449 12.450 -3.803 141 HD13 LEU 20 HD13 LEU 20 -0.562 10.756 -3.338 142 HD21 LEU 20 HD21 LEU 20 -1.556 9.064 -4.907 143 HD22 LEU 20 HD22 LEU 20 -2.160 9.576 -6.482 144 HD23 LEU 20 HD23 LEU 20 -3.070 9.969 -5.023 145 H MET 21 H MET 21 1.028 14.609 -5.345 146 HA MET 21 HA MET 21 2.641 13.305 -7.480 147 HB2 MET 21 HB2 MET 21 4.237 15.304 -7.138 148 HB3 MET 21 HB3 MET 21 2.737 15.630 -7.986 149 HG2 MET 21 HG2 MET 21 1.784 16.605 -5.933 150 HG3 MET 21 HG3 MET 21 3.295 16.290 -5.083 151 HE1 MET 21 HE1 MET 21 5.525 17.047 -7.253 152 HE2 MET 21 HE2 MET 21 5.587 17.609 -5.582 153 HE3 MET 21 HE3 MET 21 5.765 18.758 -6.907 154 H LEU 22 H LEU 22 3.443 11.502 -6.417 155 HA LEU 22 HA LEU 22 3.928 11.531 -3.579 156 HB2 LEU 22 HB2 LEU 22 4.250 9.397 -5.728 157 HB3 LEU 22 HB3 LEU 22 4.602 9.105 -4.032 158 HG LEU 22 HG LEU 22 1.852 9.973 -5.020 159 HD11 LEU 22 HD11 LEU 22 1.122 7.644 -4.835 160 HD12 LEU 22 HD12 LEU 22 2.770 7.133 -4.459 161 HD13 LEU 22 HD13 LEU 22 2.392 7.811 -6.045 162 HD21 LEU 22 HD21 LEU 22 2.720 8.769 -2.370 163 HD22 LEU 22 HD22 LEU 22 1.064 9.164 -2.838 164 HD23 LEU 22 HD23 LEU 22 2.254 10.448 -2.655 165 H VAL 23 H VAL 23 5.766 12.084 -2.678 166 HA VAL 23 HA VAL 23 8.270 12.313 -4.267 167 HB VAL 23 HB VAL 23 8.919 14.099 -2.628 168 HG11 VAL 23 HG11 VAL 23 6.288 14.635 -4.061 169 HG12 VAL 23 HG12 VAL 23 7.907 14.766 -4.753 170 HG13 VAL 23 HG13 VAL 23 7.407 15.870 -3.473 171 HG21 VAL 23 HG21 VAL 23 6.091 13.784 -1.533 172 HG22 VAL 23 HG22 VAL 23 7.226 15.061 -1.084 173 HG23 VAL 23 HG23 VAL 23 7.587 13.381 -0.687 174 HA PRO 24 HA PRO 24 10.244 9.686 -1.059 175 HB2 PRO 24 HB2 PRO 24 12.805 10.712 -1.021 176 HB3 PRO 24 HB3 PRO 24 12.215 9.655 -2.319 177 HG2 PRO 24 HG2 PRO 24 12.480 12.641 -2.308 178 HG3 PRO 24 HG3 PRO 24 12.871 11.480 -3.599 179 HD2 PRO 24 HD2 PRO 24 10.559 12.933 -3.593 180 HD3 PRO 24 HD3 PRO 24 10.668 11.306 -4.301 181 H ASN 25 H ASN 25 8.959 10.390 0.616 182 HA ASN 25 HA ASN 25 9.485 12.932 1.989 183 HB2 ASN 25 HB2 ASN 25 7.134 12.079 1.324 184 HB3 ASN 25 HB3 ASN 25 7.297 10.894 2.610 185 HD21 ASN 25 HD21 ASN 25 7.009 14.315 1.881 186 HD22 ASN 25 HD22 ASN 25 6.524 14.806 3.465 187 H ARG 26 H ARG 26 9.096 12.541 4.597 188 HA ARG 26 HA ARG 26 11.317 11.054 5.587 189 HB2 ARG 26 HB2 ARG 26 8.991 12.347 7.085 190 HB3 ARG 26 HB3 ARG 26 10.364 11.589 7.878 191 HG2 ARG 26 HG2 ARG 26 10.825 13.889 7.946 192 HG3 ARG 26 HG3 ARG 26 11.842 13.278 6.640 193 HD2 ARG 26 HD2 ARG 26 10.782 15.407 6.045 194 HD3 ARG 26 HD3 ARG 26 10.214 14.108 4.989 195 HE ARG 26 HE ARG 26 8.414 14.277 7.108 196 HH11 ARG 26 HH11 ARG 26 9.433 16.386 4.467 197 HH12 ARG 26 HH12 ARG 26 7.905 17.214 4.389 198 HH21 ARG 26 HH21 ARG 26 6.440 15.363 6.998 199 HH22 ARG 26 HH22 ARG 26 6.209 16.631 5.829 200 H GLN 27 H GLN 27 11.399 8.952 5.879 201 HA GLN 27 HA GLN 27 9.244 7.181 5.427 202 HB2 GLN 27 HB2 GLN 27 12.106 6.775 6.361 203 HB3 GLN 27 HB3 GLN 27 10.981 5.422 6.312 204 HG2 GLN 27 HG2 GLN 27 12.319 5.432 4.294 205 HG3 GLN 27 HG3 GLN 27 10.640 5.783 3.891 206 HE21 GLN 27 HE21 GLN 27 11.041 6.852 1.983 207 HE22 GLN 27 HE22 GLN 27 11.884 8.355 1.887 208 H LEU 28 H LEU 28 7.661 6.664 6.776 209 HA LEU 28 HA LEU 28 7.591 7.397 9.532 210 HB2 LEU 28 HB2 LEU 28 5.757 5.377 8.177 211 HB3 LEU 28 HB3 LEU 28 5.408 6.350 9.596 212 HG LEU 28 HG LEU 28 5.579 7.298 6.711 213 HD11 LEU 28 HD11 LEU 28 3.486 6.177 7.287 214 HD12 LEU 28 HD12 LEU 28 3.220 7.895 7.016 215 HD13 LEU 28 HD13 LEU 28 3.255 7.261 8.663 216 HD21 LEU 28 HD21 LEU 28 5.220 9.009 9.189 217 HD22 LEU 28 HD22 LEU 28 5.011 9.559 7.525 218 HD23 LEU 28 HD23 LEU 28 6.595 9.028 8.082 219 H THR 29 H THR 29 7.998 6.170 11.358 220 HA THR 29 HA THR 29 9.363 3.646 11.208 221 HB THR 29 HB THR 29 9.167 3.633 13.698 222 HG1 THR 29 HG1 THR 29 8.117 5.465 14.675 223 HG21 THR 29 HG21 THR 29 9.940 6.385 12.654 224 HG22 THR 29 HG22 THR 29 10.996 4.970 12.667 225 HG23 THR 29 HG23 THR 29 10.441 5.667 14.187 226 H ALA 30 H ALA 30 8.488 1.610 12.123 227 HA ALA 30 HA ALA 30 5.956 0.872 11.198 228 HB1 ALA 30 HB1 ALA 30 7.661 -0.549 13.277 229 HB2 ALA 30 HB2 ALA 30 7.801 -0.725 11.528 230 HB3 ALA 30 HB3 ALA 30 6.337 -1.264 12.348 231 H ASP 31 H ASP 31 6.990 2.033 14.382 232 HA ASP 31 HA ASP 31 4.507 1.637 15.718 233 HB2 ASP 31 HB2 ASP 31 6.817 3.528 16.307 234 HB3 ASP 31 HB3 ASP 31 5.396 3.412 17.342 235 H TYR 32 H TYR 32 5.834 4.422 13.875 236 HA TYR 32 HA TYR 32 3.707 6.229 14.443 237 HB2 TYR 32 HB2 TYR 32 5.969 6.898 13.468 238 HB3 TYR 32 HB3 TYR 32 5.450 6.237 11.924 239 HD1 TYR 32 HD1 TYR 32 3.615 7.399 10.623 240 HD2 TYR 32 HD2 TYR 32 5.127 9.056 14.261 241 HE1 TYR 32 HE1 TYR 32 2.561 9.556 10.079 242 HE2 TYR 32 HE2 TYR 32 4.080 11.203 13.712 243 HH TYR 32 HH TYR 32 1.805 11.580 11.191 244 H PHE 33 H PHE 33 4.358 4.006 11.770 245 HA PHE 33 HA PHE 33 2.127 4.386 10.171 246 HB2 PHE 33 HB2 PHE 33 3.997 3.060 9.376 247 HB3 PHE 33 HB3 PHE 33 3.802 1.888 10.674 248 HD1 PHE 33 HD2 PHE 33 2.294 3.174 7.529 249 HD2 PHE 33 HD1 PHE 33 2.220 0.056 10.455 250 HE1 PHE 33 HE2 PHE 33 0.788 1.850 6.100 251 HE2 PHE 33 HE1 PHE 33 0.711 -1.247 9.026 252 HZ PHE 33 HZ PHE 33 -0.014 -0.349 6.851 253 H GLU 34 H GLU 34 2.615 2.033 12.833 254 HA GLU 34 HA GLU 34 0.139 0.737 12.818 255 HB2 GLU 34 HB2 GLU 34 1.996 -0.128 14.134 256 HB3 GLU 34 HB3 GLU 34 2.066 1.338 15.107 257 HG2 GLU 34 HG2 GLU 34 -0.239 0.772 15.975 258 HG3 GLU 34 HG3 GLU 34 -0.116 -0.773 15.135 259 H LYS 35 H LYS 35 1.224 3.570 14.625 260 HA LYS 35 HA LYS 35 -1.016 4.235 16.127 261 HB2 LYS 35 HB2 LYS 35 1.112 5.324 16.532 262 HB3 LYS 35 HB3 LYS 35 1.189 5.931 14.884 263 HG2 LYS 35 HG2 LYS 35 -0.801 7.381 15.396 264 HG3 LYS 35 HG3 LYS 35 -0.685 6.862 17.079 265 HD2 LYS 35 HD2 LYS 35 1.543 7.871 17.272 266 HD3 LYS 35 HD3 LYS 35 1.537 8.279 15.551 267 HE2 LYS 35 HE2 LYS 35 1.015 10.232 16.982 268 HE3 LYS 35 HE3 LYS 35 -0.312 9.838 15.890 269 HZ1 LYS 35 HZ1 LYS 35 -1.463 8.766 17.702 270 HZ2 LYS 35 HZ2 LYS 35 -1.069 10.349 18.148 271 HZ3 LYS 35 HZ3 LYS 35 -0.169 9.051 18.755 272 H THR 36 H THR 36 -0.085 5.351 12.868 273 HA THR 36 HA THR 36 -2.316 7.052 12.439 274 HB THR 36 HB THR 36 -0.481 5.831 10.312 275 HG1 THR 36 HG1 THR 36 1.039 6.957 11.241 276 HG21 THR 36 HG21 THR 36 -2.423 7.079 9.375 277 HG22 THR 36 HG22 THR 36 -0.904 7.913 9.061 278 HG23 THR 36 HG23 THR 36 -1.975 8.491 10.338 279 H TRP 37 H TRP 37 -1.611 3.683 11.614 280 HA TRP 37 HA TRP 37 -3.669 3.110 9.800 281 HB2 TRP 37 HB2 TRP 37 -1.629 1.711 10.175 282 HB3 TRP 37 HB3 TRP 37 -2.234 1.250 11.759 283 HD1 TRP 37 HD1 TRP 37 -4.017 -0.731 11.845 284 HE1 TRP 37 HE1 TRP 37 -4.881 -2.403 10.091 285 HE3 TRP 37 HE3 TRP 37 -2.226 1.504 7.616 286 HZ2 TRP 37 HZ2 TRP 37 -4.809 -2.738 7.298 287 HZ3 TRP 37 HZ3 TRP 37 -2.666 0.447 5.434 288 HH2 TRP 37 HH2 TRP 37 -3.935 -1.634 5.282 289 H LEU 38 H LEU 38 -3.471 2.503 13.319 290 HA LEU 38 HA LEU 38 -6.138 1.523 13.581 291 HB2 LEU 38 HB2 LEU 38 -4.155 2.510 15.668 292 HB3 LEU 38 HB3 LEU 38 -5.624 1.615 16.022 293 HG LEU 38 HG LEU 38 -3.224 0.558 14.476 294 HD11 LEU 38 HD11 LEU 38 -4.215 -0.179 17.244 295 HD12 LEU 38 HD12 LEU 38 -2.767 0.756 16.863 296 HD13 LEU 38 HD13 LEU 38 -2.870 -0.935 16.384 297 HD21 LEU 38 HD21 LEU 38 -4.362 -1.636 14.493 298 HD22 LEU 38 HD22 LEU 38 -5.256 -0.432 13.568 299 HD23 LEU 38 HD23 LEU 38 -5.802 -0.882 15.186 300 H SER 39 H SER 39 -4.672 4.686 13.776 301 HA SER 39 HA SER 39 -6.822 6.054 15.090 302 HB2 SER 39 HB2 SER 39 -4.460 6.829 15.172 303 HB3 SER 39 HB3 SER 39 -4.515 7.174 13.447 304 HG SER 39 HG SER 39 -6.574 8.399 14.679 305 H LEU 40 H LEU 40 -6.292 5.075 11.771 306 HA LEU 40 HA LEU 40 -8.385 6.945 10.808 307 HB2 LEU 40 HB2 LEU 40 -6.210 5.497 9.240 308 HB3 LEU 40 HB3 LEU 40 -7.448 6.519 8.526 309 HG LEU 40 HG LEU 40 -5.229 7.440 10.396 310 HD11 LEU 40 HD11 LEU 40 -5.623 7.954 7.438 311 HD12 LEU 40 HD12 LEU 40 -4.420 6.891 8.164 312 HD13 LEU 40 HD13 LEU 40 -4.339 8.624 8.450 313 HD21 LEU 40 HD21 LEU 40 -6.007 9.739 9.966 314 HD22 LEU 40 HD22 LEU 40 -7.238 8.782 10.785 315 HD23 LEU 40 HD23 LEU 40 -7.385 9.109 9.057 316 H LYS 41 H LYS 41 -9.785 6.075 9.093 317 HA LYS 41 HA LYS 41 -10.643 3.297 9.624 318 HB2 LYS 41 HB2 LYS 41 -12.813 3.950 8.690 319 HB3 LYS 41 HB3 LYS 41 -12.350 5.080 9.957 320 HG2 LYS 41 HG2 LYS 41 -11.704 6.749 8.300 321 HG3 LYS 41 HG3 LYS 41 -12.024 5.613 6.984 322 HD2 LYS 41 HD2 LYS 41 -14.428 5.552 7.667 323 HD3 LYS 41 HD3 LYS 41 -14.082 6.745 8.922 324 HE2 LYS 41 HE2 LYS 41 -13.429 8.379 7.200 325 HE3 LYS 41 HE3 LYS 41 -13.733 7.182 5.937 326 HZ1 LYS 41 HZ1 LYS 41 -16.061 7.120 6.630 327 HZ2 LYS 41 HZ2 LYS 41 -15.601 8.673 6.166 328 HZ3 LYS 41 HZ3 LYS 41 -15.759 8.299 7.803 329 H VAL 42 H VAL 42 -11.135 1.889 7.823 330 HA VAL 42 HA VAL 42 -9.463 2.042 5.536 331 HB VAL 42 HB VAL 42 -11.968 0.343 5.983 332 HG11 VAL 42 HG11 VAL 42 -11.132 -1.141 4.194 333 HG12 VAL 42 HG12 VAL 42 -9.794 -0.032 3.883 334 HG13 VAL 42 HG13 VAL 42 -11.455 0.479 3.575 335 HG21 VAL 42 HG21 VAL 42 -10.215 -0.081 7.662 336 HG22 VAL 42 HG22 VAL 42 -9.032 -0.368 6.384 337 HG23 VAL 42 HG23 VAL 42 -10.397 -1.471 6.589 338 H ALA 43 H ALA 43 -9.681 3.318 3.806 339 HA ALA 43 HA ALA 43 -12.100 4.888 3.294 340 HB1 ALA 43 HB1 ALA 43 -10.725 6.041 1.577 341 HB2 ALA 43 HB2 ALA 43 -9.419 4.882 1.847 342 HB3 ALA 43 HB3 ALA 43 -9.896 5.985 3.133 343 H HIS 44 H HIS 44 -10.102 2.525 1.658 344 HA HIS 44 HA HIS 44 -12.324 1.572 0.012 345 HB2 HIS 44 HB2 HIS 44 -11.124 3.196 -1.417 346 HB3 HIS 44 HB3 HIS 44 -9.576 2.436 -1.052 347 HD2 HIS 44 HD2 HIS 44 -8.820 0.594 -2.909 348 HE1 HIS 44 HE1 HIS 44 -12.662 -0.128 -4.520 349 HE2 HIS 44 HE2 HIS 44 -10.176 -0.463 -4.847 350 H GLN 45 H GLN 45 -12.066 -0.607 -0.606 351 HA GLN 45 HA GLN 45 -9.614 -2.043 0.001 352 HB2 GLN 45 HB2 GLN 45 -11.003 -2.125 2.120 353 HB3 GLN 45 HB3 GLN 45 -12.269 -2.959 1.224 354 HG2 GLN 45 HG2 GLN 45 -10.772 -4.858 0.823 355 HG3 GLN 45 HG3 GLN 45 -9.442 -3.997 1.611 356 HE21 GLN 45 HE21 GLN 45 -9.528 -3.686 3.877 357 HE22 GLN 45 HE22 GLN 45 -10.536 -4.657 4.887 358 H GLN 46 H GLN 46 -9.253 -3.369 -1.672 359 HA GLN 46 HA GLN 46 -11.493 -4.336 -3.356 360 HB2 GLN 46 HB2 GLN 46 -10.409 -2.357 -4.450 361 HB3 GLN 46 HB3 GLN 46 -8.850 -3.169 -4.368 362 HG2 GLN 46 HG2 GLN 46 -9.755 -3.334 -6.616 363 HG3 GLN 46 HG3 GLN 46 -9.696 -4.934 -5.884 364 HE21 GLN 46 HE21 GLN 46 -11.797 -2.331 -6.930 365 HE22 GLN 46 HE22 GLN 46 -13.262 -3.246 -6.926 366 H VAL 47 H VAL 47 -11.334 -6.484 -3.785 367 HA VAL 47 HA VAL 47 -8.785 -7.873 -3.182 368 HB VAL 47 HB VAL 47 -11.587 -9.086 -3.415 369 HG11 VAL 47 HG11 VAL 47 -10.545 -11.135 -2.486 370 HG12 VAL 47 HG12 VAL 47 -8.960 -10.368 -2.556 371 HG13 VAL 47 HG13 VAL 47 -9.850 -10.697 -4.045 372 HG21 VAL 47 HG21 VAL 47 -9.950 -8.511 -0.909 373 HG22 VAL 47 HG22 VAL 47 -11.496 -9.363 -0.957 374 HG23 VAL 47 HG23 VAL 47 -11.415 -7.662 -1.413 375 H LEU 48 H LEU 48 -7.683 -8.733 -4.822 376 HA LEU 48 HA LEU 48 -8.841 -8.883 -7.528 377 HB2 LEU 48 HB2 LEU 48 -6.031 -8.007 -6.711 378 HB3 LEU 48 HB3 LEU 48 -6.556 -8.262 -8.367 379 HG LEU 48 HG LEU 48 -7.624 -6.114 -6.493 380 HD11 LEU 48 HD11 LEU 48 -5.824 -5.850 -8.915 381 HD12 LEU 48 HD12 LEU 48 -5.320 -5.682 -7.233 382 HD13 LEU 48 HD13 LEU 48 -6.452 -4.524 -7.928 383 HD21 LEU 48 HD21 LEU 48 -9.371 -6.836 -8.027 384 HD22 LEU 48 HD22 LEU 48 -8.286 -6.651 -9.407 385 HD23 LEU 48 HD23 LEU 48 -8.796 -5.233 -8.481 386 HA PRO 49 HA PRO 49 -7.520 -13.185 -6.902 387 HB2 PRO 49 HB2 PRO 49 -8.053 -14.134 -9.434 388 HB3 PRO 49 HB3 PRO 49 -9.333 -13.771 -8.261 389 HG2 PRO 49 HG2 PRO 49 -8.341 -12.085 -10.540 390 HG3 PRO 49 HG3 PRO 49 -10.015 -12.418 -10.041 391 HD2 PRO 49 HD2 PRO 49 -8.736 -10.099 -9.380 392 HD3 PRO 49 HD3 PRO 49 -9.952 -10.859 -8.317 393 H TRP 50 H TRP 50 -5.350 -13.532 -6.677 394 HA TRP 50 HA TRP 50 -3.472 -12.820 -8.844 395 HB2 TRP 50 HB2 TRP 50 -3.130 -12.031 -6.406 396 HB3 TRP 50 HB3 TRP 50 -2.711 -13.698 -6.022 397 HD1 TRP 50 HD1 TRP 50 -0.502 -14.694 -7.578 398 HE1 TRP 50 HE1 TRP 50 1.605 -13.432 -8.327 399 HE3 TRP 50 HE3 TRP 50 -2.107 -9.892 -6.882 400 HZ2 TRP 50 HZ2 TRP 50 2.496 -10.787 -8.545 401 HZ3 TRP 50 HZ3 TRP 50 -0.556 -8.051 -7.371 402 HH2 TRP 50 HH2 TRP 50 1.702 -8.487 -8.189 403 H ARG 51 H ARG 51 -2.406 -14.364 -9.984 404 HA ARG 51 HA ARG 51 -2.155 -17.127 -9.006 405 HB2 ARG 51 HB2 ARG 51 -4.087 -17.084 -10.604 406 HB3 ARG 51 HB3 ARG 51 -3.057 -16.366 -11.836 407 HG2 ARG 51 HG2 ARG 51 -1.641 -18.434 -11.794 408 HG3 ARG 51 HG3 ARG 51 -2.768 -19.148 -10.646 409 HD2 ARG 51 HD2 ARG 51 -4.562 -19.061 -12.324 410 HD3 ARG 51 HD3 ARG 51 -3.475 -18.263 -13.468 411 HE ARG 51 HE ARG 51 -2.771 -20.932 -12.436 412 HH11 ARG 51 HH11 ARG 51 -3.810 -18.983 -15.175 413 HH12 ARG 51 HH12 ARG 51 -3.468 -20.218 -16.347 414 HH21 ARG 51 HH21 ARG 51 -2.306 -22.542 -13.975 415 HH22 ARG 51 HH22 ARG 51 -2.610 -22.245 -15.659 416 H GLY 52 H GLY 52 -0.294 -18.235 -9.898 417 HA2 GLY 52 HA2 GLY 52 1.709 -18.468 -11.054 418 HA3 GLY 52 HA3 GLY 52 1.526 -16.851 -11.717 419 H GLU 53 H GLU 53 1.170 -17.250 -8.307 420 HA GLU 53 HA GLU 53 2.318 -16.749 -6.453 421 HB2 GLU 53 HB2 GLU 53 4.818 -17.137 -8.139 422 HB3 GLU 53 HB3 GLU 53 4.781 -17.023 -6.385 423 HG2 GLU 53 HG2 GLU 53 3.463 -19.201 -8.030 424 HG3 GLU 53 HG3 GLU 53 4.980 -19.354 -7.151 425 H PHE 54 H PHE 54 2.904 -14.963 -5.330 426 HA PHE 54 HA PHE 54 3.121 -12.432 -6.730 427 HB2 PHE 54 HB2 PHE 54 1.842 -12.813 -4.521 428 HB3 PHE 54 HB3 PHE 54 3.403 -12.889 -3.718 429 HD1 PHE 54 HD1 PHE 54 4.953 -10.794 -3.943 430 HD2 PHE 54 HD2 PHE 54 0.797 -10.719 -4.903 431 HE1 PHE 54 HE1 PHE 54 4.958 -8.349 -3.805 432 HE2 PHE 54 HE2 PHE 54 0.814 -8.261 -4.759 433 HZ PHE 54 HZ PHE 54 2.894 -7.075 -4.223 434 H HIS 55 H HIS 55 4.957 -11.223 -6.975 435 HA HIS 55 HA HIS 55 7.562 -12.353 -6.156 436 HB2 HIS 55 HB2 HIS 55 6.901 -10.242 -8.261 437 HB3 HIS 55 HB3 HIS 55 8.514 -10.830 -7.891 438 HD1 HIS 55 HD1 HIS 55 9.320 -12.695 -9.317 439 HD2 HIS 55 HD2 HIS 55 5.167 -12.469 -9.343 440 HE1 HIS 55 HE1 HIS 55 8.566 -14.328 -11.060 441 HE2 HIS 55 HE2 HIS 55 6.059 -14.172 -11.068 442 HA PRO 56 HA PRO 56 6.806 -9.074 -3.033 443 HB2 PRO 56 HB2 PRO 56 8.625 -9.905 -1.148 444 HB3 PRO 56 HB3 PRO 56 7.062 -10.704 -1.401 445 HG2 PRO 56 HG2 PRO 56 9.767 -11.515 -2.416 446 HG3 PRO 56 HG3 PRO 56 8.488 -12.519 -1.692 447 HD2 PRO 56 HD2 PRO 56 8.867 -12.386 -4.384 448 HD3 PRO 56 HD3 PRO 56 7.261 -12.624 -3.660 449 H ASP 57 H ASP 57 10.110 -9.924 -4.068 450 HA ASP 57 HA ASP 57 11.330 -7.452 -3.390 451 HB2 ASP 57 HB2 ASP 57 12.217 -9.348 -5.613 452 HB3 ASP 57 HB3 ASP 57 13.205 -8.130 -4.815 453 H THR 58 H THR 58 9.813 -8.644 -6.388 454 HA THR 58 HA THR 58 10.391 -6.441 -8.075 455 HB THR 58 HB THR 58 8.017 -8.362 -8.213 456 HG1 THR 58 HG1 THR 58 10.708 -8.548 -9.027 457 HG21 THR 58 HG21 THR 58 7.970 -7.878 -10.632 458 HG22 THR 58 HG22 THR 58 9.249 -6.678 -10.429 459 HG23 THR 58 HG23 THR 58 7.665 -6.413 -9.692 460 H LEU 59 H LEU 59 7.765 -7.124 -5.772 461 HA LEU 59 HA LEU 59 6.123 -4.889 -6.225 462 HB2 LEU 59 HB2 LEU 59 5.371 -6.708 -4.762 463 HB3 LEU 59 HB3 LEU 59 6.673 -6.384 -3.630 464 HG LEU 59 HG LEU 59 5.626 -4.092 -3.219 465 HD11 LEU 59 HD11 LEU 59 3.286 -3.727 -3.782 466 HD12 LEU 59 HD12 LEU 59 3.256 -5.222 -4.720 467 HD13 LEU 59 HD13 LEU 59 4.280 -3.876 -5.230 468 HD21 LEU 59 HD21 LEU 59 5.360 -5.926 -1.622 469 HD22 LEU 59 HD22 LEU 59 3.902 -6.460 -2.460 470 HD23 LEU 59 HD23 LEU 59 3.941 -4.884 -1.666 471 H GLN 60 H GLN 60 8.837 -5.351 -3.896 472 HA GLN 60 HA GLN 60 8.620 -2.833 -2.654 473 HB2 GLN 60 HB2 GLN 60 9.876 -4.778 -1.670 474 HB3 GLN 60 HB3 GLN 60 11.145 -4.543 -2.874 475 HG2 GLN 60 HG2 GLN 60 11.526 -2.240 -1.956 476 HG3 GLN 60 HG3 GLN 60 10.331 -2.569 -0.706 477 HE21 GLN 60 HE21 GLN 60 10.890 -3.943 1.011 478 HE22 GLN 60 HE22 GLN 60 12.519 -4.432 1.313 479 H MET 61 H MET 61 10.673 -3.944 -5.351 480 HA MET 61 HA MET 61 12.163 -1.620 -5.776 481 HB2 MET 61 HB2 MET 61 11.267 -3.695 -7.818 482 HB3 MET 61 HB3 MET 61 12.532 -2.501 -8.080 483 HG2 MET 61 HG2 MET 61 12.607 -4.755 -6.068 484 HG3 MET 61 HG3 MET 61 13.477 -4.684 -7.597 485 HE1 MET 61 HE1 MET 61 16.349 -4.351 -4.931 486 HE2 MET 61 HE2 MET 61 15.752 -5.271 -6.314 487 HE3 MET 61 HE3 MET 61 14.890 -5.326 -4.774 488 H ALA 62 H ALA 62 9.024 -2.641 -7.200 489 HA ALA 62 HA ALA 62 8.696 -0.424 -8.955 490 HB1 ALA 62 HB1 ALA 62 6.590 -2.279 -7.781 491 HB2 ALA 62 HB2 ALA 62 7.487 -2.545 -9.274 492 HB3 ALA 62 HB3 ALA 62 6.358 -1.195 -9.162 493 H LEU 63 H LEU 63 7.698 -1.064 -5.611 494 HA LEU 63 HA LEU 63 6.052 1.146 -5.100 495 HB2 LEU 63 HB2 LEU 63 7.907 -0.343 -3.193 496 HB3 LEU 63 HB3 LEU 63 6.690 0.816 -2.682 497 HG LEU 63 HG LEU 63 6.126 -1.834 -4.048 498 HD11 LEU 63 HD11 LEU 63 6.962 -2.144 -1.787 499 HD12 LEU 63 HD12 LEU 63 5.249 -2.547 -1.871 500 HD13 LEU 63 HD13 LEU 63 5.759 -1.013 -1.157 501 HD21 LEU 63 HD21 LEU 63 4.165 0.186 -2.920 502 HD22 LEU 63 HD22 LEU 63 3.765 -1.411 -3.558 503 HD23 LEU 63 HD23 LEU 63 4.420 -0.179 -4.630 504 H GLN 64 H GLN 64 9.562 0.717 -4.619 505 HA GLN 64 HA GLN 64 10.288 3.207 -3.704 506 HB2 GLN 64 HB2 GLN 64 11.838 1.387 -5.596 507 HB3 GLN 64 HB3 GLN 64 12.543 2.751 -4.732 508 HG2 GLN 64 HG2 GLN 64 12.123 1.687 -2.593 509 HG3 GLN 64 HG3 GLN 64 11.244 0.378 -3.375 510 HE21 GLN 64 HE21 GLN 64 12.587 -1.249 -2.617 511 HE22 GLN 64 HE22 GLN 64 14.225 -1.444 -3.122 512 H VAL 65 H VAL 65 9.780 2.226 -7.136 513 HA VAL 65 HA VAL 65 10.680 4.598 -8.378 514 HB VAL 65 HB VAL 65 8.572 2.589 -9.331 515 HG11 VAL 65 HG11 VAL 65 8.382 4.657 -10.632 516 HG12 VAL 65 HG12 VAL 65 9.059 3.373 -11.633 517 HG13 VAL 65 HG13 VAL 65 10.113 4.629 -10.980 518 HG21 VAL 65 HG21 VAL 65 10.719 1.494 -8.880 519 HG22 VAL 65 HG22 VAL 65 11.559 2.667 -9.895 520 HG23 VAL 65 HG23 VAL 65 10.410 1.538 -10.617 521 H VAL 66 H VAL 66 7.555 3.646 -7.022 522 HA VAL 66 HA VAL 66 6.283 6.168 -7.899 523 HB VAL 66 HB VAL 66 4.119 5.071 -7.412 524 HG11 VAL 66 HG11 VAL 66 5.901 3.417 -9.240 525 HG12 VAL 66 HG12 VAL 66 5.038 4.893 -9.683 526 HG13 VAL 66 HG13 VAL 66 4.134 3.438 -9.264 527 HG21 VAL 66 HG21 VAL 66 5.740 2.574 -6.777 528 HG22 VAL 66 HG22 VAL 66 3.977 2.674 -6.854 529 HG23 VAL 66 HG23 VAL 66 4.858 3.549 -5.604 530 H ASN 67 H ASN 67 8.097 5.332 -5.379 531 HA ASN 67 HA ASN 67 8.534 6.312 -3.423 532 HB2 ASN 67 HB2 ASN 67 6.394 8.311 -4.259 533 HB3 ASN 67 HB3 ASN 67 7.554 8.556 -2.952 534 HD21 ASN 67 HD21 ASN 67 9.738 8.947 -3.477 535 HD22 ASN 67 HD22 ASN 67 10.237 9.388 -5.071 536 H ILE 68 H ILE 68 6.537 4.197 -3.464 537 HA ILE 68 HA ILE 68 5.003 4.701 -1.006 538 HB ILE 68 HB ILE 68 5.118 2.104 -2.621 539 HG12 ILE 68 HG12 ILE 68 4.238 3.826 -4.116 540 HG13 ILE 68 HG13 ILE 68 2.944 2.732 -3.652 541 HG21 ILE 68 HG21 ILE 68 4.345 1.802 -0.315 542 HG22 ILE 68 HG22 ILE 68 3.014 1.537 -1.441 543 HG23 ILE 68 HG23 ILE 68 3.112 3.048 -0.533 544 HD11 ILE 68 HD11 ILE 68 2.155 4.989 -3.719 545 HD12 ILE 68 HD12 ILE 68 3.425 5.515 -2.618 546 HD13 ILE 68 HD13 ILE 68 2.153 4.434 -2.045 547 H GLN 69 H GLN 69 6.144 4.371 0.818 548 HA GLN 69 HA GLN 69 8.564 2.866 1.036 549 HB2 GLN 69 HB2 GLN 69 7.898 4.845 2.492 550 HB3 GLN 69 HB3 GLN 69 6.702 3.811 3.265 551 HG2 GLN 69 HG2 GLN 69 8.705 2.255 3.826 552 HG3 GLN 69 HG3 GLN 69 9.720 3.639 3.416 553 HE21 GLN 69 HE21 GLN 69 9.578 2.367 5.964 554 HE22 GLN 69 HE22 GLN 69 8.986 3.531 7.095 555 H THR 70 H THR 70 8.858 0.789 1.803 556 HA THR 70 HA THR 70 6.542 -0.916 2.420 557 HB THR 70 HB THR 70 9.505 -1.648 2.158 558 HG1 THR 70 HG1 THR 70 8.058 -0.943 0.221 559 HG21 THR 70 HG21 THR 70 7.039 -3.435 2.299 560 HG22 THR 70 HG22 THR 70 8.251 -3.256 3.570 561 HG23 THR 70 HG23 THR 70 8.693 -3.985 2.025 562 H ILE 71 H ILE 71 5.922 -0.841 4.501 563 HA ILE 71 HA ILE 71 7.676 -0.130 6.717 564 HB ILE 71 HB ILE 71 4.747 -1.022 6.654 565 HG12 ILE 71 HG12 ILE 71 5.192 1.176 5.516 566 HG13 ILE 71 HG13 ILE 71 4.136 1.318 6.909 567 HG21 ILE 71 HG21 ILE 71 6.311 0.116 9.001 568 HG22 ILE 71 HG22 ILE 71 5.681 -1.526 8.850 569 HG23 ILE 71 HG23 ILE 71 4.568 -0.167 8.970 570 HD11 ILE 71 HD11 ILE 71 5.684 3.163 6.803 571 HD12 ILE 71 HD12 ILE 71 7.056 2.058 6.818 572 HD13 ILE 71 HD13 ILE 71 6.010 2.188 8.235 573 H ALA 72 H ALA 72 5.721 -2.954 5.718 574 HA ALA 72 HA ALA 72 7.691 -4.828 6.812 575 HB1 ALA 72 HB1 ALA 72 6.086 -4.483 8.665 576 HB2 ALA 72 HB2 ALA 72 5.941 -6.116 8.015 577 HB3 ALA 72 HB3 ALA 72 4.741 -4.891 7.596 578 H MET 73 H MET 73 7.438 -6.977 5.924 579 HA MET 73 HA MET 73 5.445 -7.560 3.901 580 HB2 MET 73 HB2 MET 73 7.149 -6.222 2.622 581 HB3 MET 73 HB3 MET 73 8.392 -7.367 3.093 582 HG2 MET 73 HG2 MET 73 7.239 -9.136 1.821 583 HG3 MET 73 HG3 MET 73 5.993 -7.983 1.347 584 HE1 MET 73 HE1 MET 73 7.793 -5.325 0.798 585 HE2 MET 73 HE2 MET 73 6.497 -5.852 -0.278 586 HE3 MET 73 HE3 MET 73 8.101 -5.505 -0.927 587 H SER 74 H SER 74 5.128 -9.780 3.771 588 HA SER 74 HA SER 74 6.707 -11.581 5.403 589 HB2 SER 74 HB2 SER 74 4.370 -12.175 3.533 590 HB3 SER 74 HB3 SER 74 5.051 -13.289 4.723 591 HG SER 74 HG SER 74 4.411 -10.922 5.873 592 H ARG 75 H ARG 75 7.322 -13.777 4.347 593 HA ARG 75 HA ARG 75 9.238 -13.105 2.219 594 HB2 ARG 75 HB2 ARG 75 9.067 -15.459 4.154 595 HB3 ARG 75 HB3 ARG 75 10.287 -15.334 2.889 596 HG2 ARG 75 HG2 ARG 75 11.122 -13.240 3.902 597 HG3 ARG 75 HG3 ARG 75 9.909 -13.367 5.170 598 HD2 ARG 75 HD2 ARG 75 10.962 -15.409 6.021 599 HD3 ARG 75 HD3 ARG 75 12.132 -15.392 4.695 600 HE ARG 75 HE ARG 75 12.503 -12.968 5.848 601 HH11 ARG 75 HH11 ARG 75 12.542 -16.215 7.255 602 HH12 ARG 75 HH12 ARG 75 13.657 -15.777 8.512 603 HH21 ARG 75 HH21 ARG 75 13.940 -12.414 7.497 604 HH22 ARG 75 HH22 ARG 75 14.452 -13.610 8.648 605 H ALA 76 H ALA 76 9.656 -14.715 0.507 606 HA ALA 76 HA ALA 76 7.292 -15.542 -0.877 607 HB1 ALA 76 HB1 ALA 76 10.206 -16.197 -1.448 608 HB2 ALA 76 HB2 ALA 76 9.302 -14.833 -2.109 609 HB3 ALA 76 HB3 ALA 76 8.857 -16.483 -2.552 610 H GLY 77 H GLY 77 6.212 -17.366 -0.620 611 HA2 GLY 77 HA2 GLY 77 5.922 -19.726 -0.272 612 HA3 GLY 77 HA3 GLY 77 7.396 -19.759 0.685 613 H SER 78 H SER 78 6.350 -17.147 1.995 614 HA SER 78 HA SER 78 4.928 -18.421 4.191 615 HB2 SER 78 HB2 SER 78 5.676 -15.473 3.820 616 HB3 SER 78 HB3 SER 78 5.196 -16.260 5.325 617 HG SER 78 HG SER 78 7.195 -17.661 4.619 618 H ARG 79 H ARG 79 2.754 -18.620 4.072 619 HA ARG 79 HA ARG 79 1.136 -16.324 3.250 620 HB2 ARG 79 HB2 ARG 79 0.756 -19.158 2.236 621 HB3 ARG 79 HB3 ARG 79 -0.585 -18.019 2.292 622 HG2 ARG 79 HG2 ARG 79 0.677 -16.473 0.821 623 HG3 ARG 79 HG3 ARG 79 1.987 -17.649 0.722 624 HD2 ARG 79 HD2 ARG 79 0.382 -19.276 -0.317 625 HD3 ARG 79 HD3 ARG 79 -0.855 -18.017 -0.290 626 HE ARG 79 HE ARG 79 1.069 -16.778 -1.652 627 HH11 ARG 79 HH11 ARG 79 -0.177 -20.064 -2.072 628 HH12 ARG 79 HH12 ARG 79 0.176 -20.090 -3.773 629 HH21 ARG 79 HH21 ARG 79 1.519 -16.850 -3.866 630 HH22 ARG 79 HH22 ARG 79 1.137 -18.274 -4.792 631 HA PRO 80 HA PRO 80 -1.372 -15.854 3.393 632 HB2 PRO 80 HB2 PRO 80 -2.416 -14.027 5.144 633 HB3 PRO 80 HB3 PRO 80 -3.179 -15.597 4.825 634 HG2 PRO 80 HG2 PRO 80 -1.405 -14.813 7.116 635 HG3 PRO 80 HG3 PRO 80 -2.952 -15.693 7.146 636 HD2 PRO 80 HD2 PRO 80 -0.572 -16.989 7.291 637 HD3 PRO 80 HD3 PRO 80 -1.983 -17.698 6.474 638 H TRP 81 H TRP 81 0.196 -14.845 2.322 639 HA TRP 81 HA TRP 81 2.391 -13.411 3.384 640 HB2 TRP 81 HB2 TRP 81 2.391 -14.472 1.117 641 HB3 TRP 81 HB3 TRP 81 1.188 -13.314 0.567 642 HD1 TRP 81 HD1 TRP 81 4.943 -13.635 1.249 643 HE1 TRP 81 HE1 TRP 81 6.145 -11.524 0.404 644 HE3 TRP 81 HE3 TRP 81 0.864 -10.753 0.133 645 HZ2 TRP 81 HZ2 TRP 81 5.461 -8.991 -0.600 646 HZ3 TRP 81 HZ3 TRP 81 1.226 -8.497 -0.756 647 HH2 TRP 81 HH2 TRP 81 3.475 -7.638 -1.112 648 H LYS 82 H LYS 82 2.263 -11.439 4.374 649 HA LYS 82 HA LYS 82 0.254 -9.490 3.390 650 HB2 LYS 82 HB2 LYS 82 -0.252 -10.463 5.647 651 HB3 LYS 82 HB3 LYS 82 1.260 -9.793 6.251 652 HG2 LYS 82 HG2 LYS 82 0.446 -7.511 5.741 653 HG3 LYS 82 HG3 LYS 82 -1.072 -8.188 5.142 654 HD2 LYS 82 HD2 LYS 82 -0.030 -8.450 7.987 655 HD3 LYS 82 HD3 LYS 82 -1.265 -7.311 7.455 656 HE2 LYS 82 HE2 LYS 82 -2.777 -9.134 6.899 657 HE3 LYS 82 HE3 LYS 82 -1.530 -10.329 7.278 658 HZ1 LYS 82 HZ1 LYS 82 -1.545 -9.493 9.575 659 HZ2 LYS 82 HZ2 LYS 82 -3.037 -10.123 9.109 660 HZ3 LYS 82 HZ3 LYS 82 -2.815 -8.451 9.185 661 H ALA 83 H ALA 83 0.861 -7.343 3.289 662 HA ALA 83 HA ALA 83 3.615 -6.573 3.942 663 HB1 ALA 83 HB1 ALA 83 3.665 -7.075 1.527 664 HB2 ALA 83 HB2 ALA 83 3.835 -5.343 1.804 665 HB3 ALA 83 HB3 ALA 83 2.290 -6.000 1.252 666 H TYR 84 H TYR 84 3.585 -4.719 5.000 667 HA TYR 84 HA TYR 84 1.193 -2.979 4.981 668 HB2 TYR 84 HB2 TYR 84 3.376 -3.442 7.057 669 HB3 TYR 84 HB3 TYR 84 2.393 -1.981 7.087 670 HD1 TYR 84 HD1 TYR 84 -0.262 -2.485 6.830 671 HD2 TYR 84 HD2 TYR 84 2.604 -5.200 8.460 672 HE1 TYR 84 HE1 TYR 84 -2.050 -3.624 8.060 673 HE2 TYR 84 HE2 TYR 84 0.808 -6.345 9.695 674 HH TYR 84 HH TYR 84 -2.507 -5.787 9.045 675 H LEU 85 H LEU 85 1.378 -1.253 3.784 676 HA LEU 85 HA LEU 85 4.018 -0.135 3.043 677 HB2 LEU 85 HB2 LEU 85 1.485 -0.157 1.338 678 HB3 LEU 85 HB3 LEU 85 3.094 0.335 0.838 679 HG LEU 85 HG LEU 85 2.197 -2.506 1.462 680 HD11 LEU 85 HD11 LEU 85 2.944 -1.231 -1.189 681 HD12 LEU 85 HD12 LEU 85 1.327 -1.713 -0.668 682 HD13 LEU 85 HD13 LEU 85 2.564 -2.938 -0.932 683 HD21 LEU 85 HD21 LEU 85 4.497 -2.269 2.171 684 HD22 LEU 85 HD22 LEU 85 4.944 -1.509 0.643 685 HD23 LEU 85 HD23 LEU 85 4.451 -3.207 0.678 686 H SER 86 H SER 86 4.076 2.163 2.778 687 HA SER 86 HA SER 86 1.705 3.774 3.324 688 HB2 SER 86 HB2 SER 86 2.678 3.301 5.607 689 HB3 SER 86 HB3 SER 86 4.175 4.080 5.099 690 HG SER 86 HG SER 86 1.631 5.350 5.055 691 H ALA 87 H ALA 87 2.064 6.043 2.818 692 HA ALA 87 HA ALA 87 4.578 6.911 1.664 693 HB1 ALA 87 HB1 ALA 87 3.583 5.704 -0.251 694 HB2 ALA 87 HB2 ALA 87 3.643 7.438 -0.566 695 HB3 ALA 87 HB3 ALA 87 2.114 6.673 -0.117 696 H GLN 88 H GLN 88 4.369 9.181 0.847 697 HA GLN 88 HA GLN 88 2.038 10.712 1.570 698 HB2 GLN 88 HB2 GLN 88 3.369 10.659 3.722 699 HB3 GLN 88 HB3 GLN 88 4.696 11.453 2.880 700 HG2 GLN 88 HG2 GLN 88 3.288 13.418 2.458 701 HG3 GLN 88 HG3 GLN 88 1.909 12.617 3.208 702 HE21 GLN 88 HE21 GLN 88 4.895 14.280 3.778 703 HE22 GLN 88 HE22 GLN 88 4.722 14.436 5.487 704 H ASP 89 H ASP 89 1.833 12.434 0.210 705 HA ASP 89 HA ASP 89 3.897 12.699 -1.888 706 HB2 ASP 89 HB2 ASP 89 2.192 13.158 -3.379 707 HB3 ASP 89 HB3 ASP 89 1.243 12.262 -2.219 708 H ASP 90 H ASP 90 3.700 15.181 -2.825 709 HA ASP 90 HA ASP 90 5.198 16.720 -0.985 710 HB2 ASP 90 HB2 ASP 90 5.494 16.849 -3.426 711 HB3 ASP 90 HB3 ASP 90 3.878 17.518 -3.613 712 H THR 91 H THR 91 1.780 16.637 -1.659 713 HA THR 91 HA THR 91 1.268 19.263 -0.433 714 HB THR 91 HB THR 91 -1.028 19.064 -1.156 715 HG1 THR 91 HG1 THR 91 -0.538 16.488 -2.217 716 HG21 THR 91 HG21 THR 91 0.795 18.008 -3.348 717 HG22 THR 91 HG22 THR 91 0.596 19.709 -2.912 718 HG23 THR 91 HG23 THR 91 -0.758 18.806 -3.590 719 H GLY 92 H GLY 92 1.672 16.111 0.605 720 HA2 GLY 92 HA2 GLY 92 1.973 15.666 2.887 721 HA3 GLY 92 HA3 GLY 92 0.840 16.941 3.294 722 H CYS 93 H CYS 93 -0.297 14.759 0.854 723 HA CYS 93 HA CYS 93 -2.299 13.693 2.639 724 HB2 CYS 93 HB2 CYS 93 -2.743 14.234 0.206 725 HB3 CYS 93 HB3 CYS 93 -1.775 12.829 -0.236 726 HG CYS 93 HG CYS 93 -4.878 12.982 1.087 727 H LEU 94 H LEU 94 -2.054 11.986 3.891 728 HA LEU 94 HA LEU 94 0.289 10.221 3.626 729 HB2 LEU 94 HB2 LEU 94 -0.502 11.517 5.796 730 HB3 LEU 94 HB3 LEU 94 -1.680 10.233 5.958 731 HG LEU 94 HG LEU 94 0.318 9.918 7.408 732 HD11 LEU 94 HD11 LEU 94 0.106 7.726 5.327 733 HD12 LEU 94 HD12 LEU 94 -0.933 7.925 6.738 734 HD13 LEU 94 HD13 LEU 94 0.777 7.572 6.955 735 HD21 LEU 94 HD21 LEU 94 2.502 9.340 6.476 736 HD22 LEU 94 HD22 LEU 94 2.006 10.951 5.974 737 HD23 LEU 94 HD23 LEU 94 1.895 9.606 4.839 738 H PHE 95 H PHE 95 0.013 8.236 2.710 739 HA PHE 95 HA PHE 95 -2.672 6.966 2.634 740 HB2 PHE 95 HB2 PHE 95 -0.301 6.638 0.735 741 HB3 PHE 95 HB3 PHE 95 -1.804 5.724 0.631 742 HD1 PHE 95 HD2 PHE 95 -0.248 9.032 0.155 743 HD2 PHE 95 HD1 PHE 95 -3.856 6.759 -0.203 744 HE1 PHE 95 HE2 PHE 95 -1.245 10.806 -1.213 745 HE2 PHE 95 HE1 PHE 95 -4.842 8.549 -1.572 746 HZ PHE 95 HZ PHE 95 -3.536 10.569 -2.074 747 H LEU 96 H LEU 96 -2.916 5.031 3.559 748 HA LEU 96 HA LEU 96 -0.574 3.387 4.350 749 HB2 LEU 96 HB2 LEU 96 -3.349 3.467 5.598 750 HB3 LEU 96 HB3 LEU 96 -1.947 2.610 6.217 751 HG LEU 96 HG LEU 96 -2.025 5.639 6.024 752 HD11 LEU 96 HD11 LEU 96 -3.927 4.928 7.376 753 HD12 LEU 96 HD12 LEU 96 -2.704 5.728 8.353 754 HD13 LEU 96 HD13 LEU 96 -2.861 3.968 8.406 755 HD21 LEU 96 HD21 LEU 96 0.205 4.673 6.289 756 HD22 LEU 96 HD22 LEU 96 -0.326 3.779 7.716 757 HD23 LEU 96 HD23 LEU 96 -0.277 5.543 7.744 758 H THR 97 H THR 97 -0.535 1.413 3.344 759 HA THR 97 HA THR 97 -3.040 0.222 2.306 760 HB THR 97 HB THR 97 -0.322 0.152 0.912 761 HG1 THR 97 HG1 THR 97 -2.489 1.894 0.781 762 HG21 THR 97 HG21 THR 97 -1.555 -0.768 -1.015 763 HG22 THR 97 HG22 THR 97 -3.053 -0.765 -0.082 764 HG23 THR 97 HG23 THR 97 -1.728 -1.837 0.380 765 H GLU 98 H GLU 98 -3.247 -2.002 2.412 766 HA GLU 98 HA GLU 98 -0.958 -3.640 3.348 767 HB2 GLU 98 HB2 GLU 98 -2.695 -3.470 5.147 768 HB3 GLU 98 HB3 GLU 98 -3.893 -4.128 4.037 769 HG2 GLU 98 HG2 GLU 98 -2.420 -6.195 3.838 770 HG3 GLU 98 HG3 GLU 98 -1.451 -5.549 5.160 771 H LEU 99 H LEU 99 -0.545 -5.397 2.077 772 HA LEU 99 HA LEU 99 -2.497 -6.268 0.010 773 HB2 LEU 99 HB2 LEU 99 0.556 -6.440 -0.046 774 HB3 LEU 99 HB3 LEU 99 -0.512 -7.088 -1.278 775 HG LEU 99 HG LEU 99 -0.109 -4.139 -0.636 776 HD11 LEU 99 HD11 LEU 99 1.803 -5.103 -1.791 777 HD12 LEU 99 HD12 LEU 99 0.929 -4.013 -2.861 778 HD13 LEU 99 HD13 LEU 99 0.754 -5.760 -3.052 779 HD21 LEU 99 HD21 LEU 99 -1.869 -5.392 -2.765 780 HD22 LEU 99 HD22 LEU 99 -1.519 -3.669 -2.597 781 HD23 LEU 99 HD23 LEU 99 -2.414 -4.510 -1.335 782 H LEU 100 H LEU 100 -3.207 -8.361 0.302 783 HA LEU 100 HA LEU 100 -1.751 -10.132 2.171 784 HB2 LEU 100 HB2 LEU 100 -3.424 -8.858 3.465 785 HB3 LEU 100 HB3 LEU 100 -4.695 -9.378 2.371 786 HG LEU 100 HG LEU 100 -4.447 -11.714 3.158 787 HD11 LEU 100 HD11 LEU 100 -3.008 -12.278 5.066 788 HD12 LEU 100 HD12 LEU 100 -2.316 -10.655 5.033 789 HD13 LEU 100 HD13 LEU 100 -2.069 -11.750 3.671 790 HD21 LEU 100 HD21 LEU 100 -4.784 -9.749 5.454 791 HD22 LEU 100 HD22 LEU 100 -5.345 -11.424 5.429 792 HD23 LEU 100 HD23 LEU 100 -6.043 -10.247 4.320 793 H LEU 101 H LEU 101 -1.431 -12.050 1.182 794 HA LEU 101 HA LEU 101 -3.242 -12.976 -0.956 795 HB2 LEU 101 HB2 LEU 101 -0.968 -12.357 -1.776 796 HB3 LEU 101 HB3 LEU 101 -0.244 -13.464 -0.623 797 HG LEU 101 HG LEU 101 -1.289 -15.391 -1.821 798 HD11 LEU 101 HD11 LEU 101 -2.356 -15.100 -4.002 799 HD12 LEU 101 HD12 LEU 101 -2.271 -13.345 -3.825 800 HD13 LEU 101 HD13 LEU 101 -3.272 -14.299 -2.727 801 HD21 LEU 101 HD21 LEU 101 0.993 -14.698 -2.407 802 HD22 LEU 101 HD22 LEU 101 0.362 -13.596 -3.634 803 HD23 LEU 101 HD23 LEU 101 0.147 -15.341 -3.814 804 H GLU 102 H GLU 102 -4.376 -14.679 -0.309 805 HA GLU 102 HA GLU 102 -3.961 -15.863 2.279 806 HB2 GLU 102 HB2 GLU 102 -6.005 -16.532 0.124 807 HB3 GLU 102 HB3 GLU 102 -6.101 -16.994 1.821 808 HG2 GLU 102 HG2 GLU 102 -6.229 -14.588 2.450 809 HG3 GLU 102 HG3 GLU 102 -6.189 -14.158 0.742 810 HA PRO 103 HA PRO 103 -1.680 -19.589 1.276 811 HB2 PRO 103 HB2 PRO 103 -3.514 -21.212 3.009 812 HB3 PRO 103 HB3 PRO 103 -1.765 -20.933 3.159 813 HG2 PRO 103 HG2 PRO 103 -3.465 -19.758 4.842 814 HG3 PRO 103 HG3 PRO 103 -2.032 -18.890 4.244 815 HD2 PRO 103 HD2 PRO 103 -4.900 -18.650 3.328 816 HD3 PRO 103 HD3 PRO 103 -3.707 -17.368 3.654 817 H GLY 104 H GLY 104 -5.058 -20.762 1.632 818 HA2 GLY 104 HA2 GLY 104 -4.792 -22.610 -0.588 819 HA3 GLY 104 HA3 GLY 104 -6.212 -22.362 0.416 820 H ASN 105 H ASN 105 -6.390 -19.530 0.024 821 HA ASN 105 HA ASN 105 -7.783 -19.499 -2.530 822 HB2 ASN 105 HB2 ASN 105 -7.636 -17.510 -0.231 823 HB3 ASN 105 HB3 ASN 105 -8.458 -17.141 -1.742 824 HD21 ASN 105 HD21 ASN 105 -9.519 -17.367 0.990 825 HD22 ASN 105 HD22 ASN 105 -10.779 -18.548 0.903 826 H SER 106 H SER 106 -7.080 -18.562 -4.281 827 HA SER 106 HA SER 106 -4.438 -17.342 -4.435 828 HB2 SER 106 HB2 SER 106 -4.969 -17.568 -6.946 829 HB3 SER 106 HB3 SER 106 -4.928 -19.081 -6.046 830 HG SER 106 HG SER 106 -7.351 -17.668 -6.457 831 H GLU 107 H GLU 107 -6.031 -15.676 -2.981 832 HA GLU 107 HA GLU 107 -6.861 -13.509 -4.832 833 HB2 GLU 107 HB2 GLU 107 -8.283 -14.490 -2.320 834 HB3 GLU 107 HB3 GLU 107 -8.520 -12.859 -2.933 835 HG2 GLU 107 HG2 GLU 107 -10.338 -13.986 -3.836 836 HG3 GLU 107 HG3 GLU 107 -9.194 -14.003 -5.170 837 H MET 108 H MET 108 -6.192 -11.524 -4.362 838 HA MET 108 HA MET 108 -4.418 -10.999 -2.059 839 HB2 MET 108 HB2 MET 108 -3.251 -10.683 -4.165 840 HB3 MET 108 HB3 MET 108 -4.602 -9.795 -4.859 841 HG2 MET 108 HG2 MET 108 -2.741 -8.297 -4.316 842 HG3 MET 108 HG3 MET 108 -4.158 -7.908 -3.347 843 HE1 MET 108 HE1 MET 108 -0.555 -9.362 -3.410 844 HE2 MET 108 HE2 MET 108 -1.438 -10.790 -2.862 845 HE3 MET 108 HE3 MET 108 -0.346 -9.952 -1.761 846 H GLN 109 H GLN 109 -5.367 -9.764 -0.502 847 HA GLN 109 HA GLN 109 -7.745 -8.135 -1.044 848 HB2 GLN 109 HB2 GLN 109 -6.514 -9.058 1.604 849 HB3 GLN 109 HB3 GLN 109 -8.030 -8.177 1.425 850 HG2 GLN 109 HG2 GLN 109 -9.086 -10.062 0.348 851 HG3 GLN 109 HG3 GLN 109 -7.556 -10.934 0.260 852 HE21 GLN 109 HE21 GLN 109 -10.122 -9.862 2.415 853 HE22 GLN 109 HE22 GLN 109 -9.704 -10.915 3.725 854 H ILE 110 H ILE 110 -7.506 -5.948 -1.029 855 HA ILE 110 HA ILE 110 -4.921 -4.758 -0.169 856 HB ILE 110 HB ILE 110 -6.776 -3.770 -2.396 857 HG12 ILE 110 HG12 ILE 110 -4.139 -5.261 -2.790 858 HG13 ILE 110 HG13 ILE 110 -5.715 -6.028 -2.907 859 HG21 ILE 110 HG21 ILE 110 -5.408 -1.991 -1.395 860 HG22 ILE 110 HG22 ILE 110 -4.867 -2.325 -3.039 861 HG23 ILE 110 HG23 ILE 110 -3.941 -2.935 -1.669 862 HD11 ILE 110 HD11 ILE 110 -4.691 -3.817 -4.674 863 HD12 ILE 110 HD12 ILE 110 -6.286 -4.570 -4.776 864 HD13 ILE 110 HD13 ILE 110 -4.838 -5.525 -5.082 865 H SER 111 H SER 111 -5.256 -3.482 1.653 866 HA SER 111 HA SER 111 -7.854 -2.073 1.990 867 HB2 SER 111 HB2 SER 111 -5.688 -2.738 4.055 868 HB3 SER 111 HB3 SER 111 -7.193 -1.872 4.394 869 HG SER 111 HG SER 111 -6.943 -4.529 3.423 870 H VAL 112 H VAL 112 -7.654 -0.131 1.013 871 HA VAL 112 HA VAL 112 -5.206 1.510 1.301 872 HB VAL 112 HB VAL 112 -7.603 1.889 -0.578 873 HG11 VAL 112 HG11 VAL 112 -4.973 3.418 -0.497 874 HG12 VAL 112 HG12 VAL 112 -6.554 4.040 -0.020 875 HG13 VAL 112 HG13 VAL 112 -6.248 3.616 -1.704 876 HG21 VAL 112 HG21 VAL 112 -6.294 -0.090 -1.217 877 HG22 VAL 112 HG22 VAL 112 -4.811 0.866 -1.233 878 HG23 VAL 112 HG23 VAL 112 -6.087 1.198 -2.408 879 H LYS 113 H LYS 113 -5.273 3.086 2.827 880 HA LYS 113 HA LYS 113 -7.736 4.511 3.446 881 HB2 LYS 113 HB2 LYS 113 -7.278 4.105 5.961 882 HB3 LYS 113 HB3 LYS 113 -8.016 2.809 5.030 883 HG2 LYS 113 HG2 LYS 113 -5.779 1.718 4.832 884 HG3 LYS 113 HG3 LYS 113 -5.109 2.970 5.880 885 HD2 LYS 113 HD2 LYS 113 -7.319 1.021 6.635 886 HD3 LYS 113 HD3 LYS 113 -5.629 0.891 7.125 887 HE2 LYS 113 HE2 LYS 113 -5.815 2.995 8.375 888 HE3 LYS 113 HE3 LYS 113 -7.492 3.174 7.849 889 HZ1 LYS 113 HZ1 LYS 113 -8.018 1.104 9.005 890 HZ2 LYS 113 HZ2 LYS 113 -7.396 2.264 10.067 891 HZ3 LYS 113 HZ3 LYS 113 -6.422 0.984 9.544 892 H GLN 114 H GLN 114 -7.114 6.519 3.044 893 HA GLN 114 HA GLN 114 -4.490 7.497 3.925 894 HB2 GLN 114 HB2 GLN 114 -4.852 9.384 2.406 895 HB3 GLN 114 HB3 GLN 114 -5.017 7.858 1.558 896 HG2 GLN 114 HG2 GLN 114 -7.479 9.272 2.558 897 HG3 GLN 114 HG3 GLN 114 -6.685 9.834 1.095 898 HE21 GLN 114 HE21 GLN 114 -8.638 9.363 -0.007 899 HE22 GLN 114 HE22 GLN 114 -9.056 7.757 -0.454 900 H ASN 115 H ASN 115 -4.491 9.859 4.645 901 HA ASN 115 HA ASN 115 -6.110 10.002 7.045 902 HB2 ASN 115 HB2 ASN 115 -3.659 10.525 7.034 903 HB3 ASN 115 HB3 ASN 115 -3.978 11.918 6.007 904 HD21 ASN 115 HD21 ASN 115 -3.240 13.408 7.467 905 HD22 ASN 115 HD22 ASN 115 -4.026 13.763 8.958 906 H GLU 116 H GLU 116 -5.367 12.574 4.630 907 HA GLU 116 HA GLU 116 -8.153 13.524 4.776 908 HB2 GLU 116 HB2 GLU 116 -5.754 14.680 3.272 909 HB3 GLU 116 HB3 GLU 116 -7.343 15.424 3.380 910 HG2 GLU 116 HG2 GLU 116 -5.408 14.981 5.666 911 HG3 GLU 116 HG3 GLU 116 -5.764 16.520 4.882 912 H ALA 117 H ALA 117 -9.420 12.228 3.572 913 HA ALA 117 HA ALA 117 -8.570 11.014 1.088 914 HB1 ALA 117 HB1 ALA 117 -9.982 9.766 2.665 915 HB2 ALA 117 HB2 ALA 117 -10.824 9.985 1.131 916 HB3 ALA 117 HB3 ALA 117 -11.254 10.983 2.520 917 H ARG 118 H ARG 118 -8.433 12.325 -0.630 918 HA ARG 118 HA ARG 118 -10.790 13.957 -1.402 919 HB2 ARG 118 HB2 ARG 118 -8.493 15.106 -1.376 920 HB3 ARG 118 HB3 ARG 118 -8.001 14.015 -2.666 921 HG2 ARG 118 HG2 ARG 118 -9.809 14.925 -4.100 922 HG3 ARG 118 HG3 ARG 118 -10.267 16.024 -2.799 923 HD2 ARG 118 HD2 ARG 118 -7.861 16.940 -2.952 924 HD3 ARG 118 HD3 ARG 118 -7.745 16.050 -4.479 925 HE ARG 118 HE ARG 118 -10.006 17.884 -4.099 926 HH11 ARG 118 HH11 ARG 118 -6.927 17.321 -5.719 927 HH12 ARG 118 HH12 ARG 118 -7.198 18.580 -6.885 928 HH21 ARG 118 HH21 ARG 118 -10.326 19.515 -5.608 929 HH22 ARG 118 HH22 ARG 118 -9.120 19.821 -6.819 930 H THR 119 H THR 119 -11.855 13.379 -3.325 931 HA THR 119 HA THR 119 -11.967 10.733 -4.144 932 HB THR 119 HB THR 119 -12.711 13.131 -5.880 933 HG1 THR 119 HG1 THR 119 -14.013 13.560 -4.271 934 HG21 THR 119 HG21 THR 119 -13.911 10.325 -5.767 935 HG22 THR 119 HG22 THR 119 -12.881 10.941 -7.064 936 HG23 THR 119 HG23 THR 119 -14.475 11.646 -6.788 937 H GLU 120 H GLU 120 -10.189 13.433 -5.552 938 HA GLU 120 HA GLU 120 -9.034 12.234 -7.793 939 HB2 GLU 120 HB2 GLU 120 -8.998 14.639 -7.478 940 HB3 GLU 120 HB3 GLU 120 -8.098 14.476 -5.972 941 HG2 GLU 120 HG2 GLU 120 -6.219 13.421 -7.441 942 HG3 GLU 120 HG3 GLU 120 -7.092 14.107 -8.808 943 H THR 121 H THR 121 -7.678 12.640 -4.466 944 HA THR 121 HA THR 121 -5.139 11.553 -5.170 945 HB THR 121 HB THR 121 -4.619 11.635 -2.724 946 HG1 THR 121 HG1 THR 121 -6.148 12.096 -1.252 947 HG21 THR 121 HG21 THR 121 -4.321 13.695 -4.066 948 HG22 THR 121 HG22 THR 121 -4.844 14.086 -2.425 949 HG23 THR 121 HG23 THR 121 -6.001 14.146 -3.756 950 H LEU 122 H LEU 122 -8.012 10.158 -3.578 951 HA LEU 122 HA LEU 122 -6.978 7.612 -3.031 952 HB2 LEU 122 HB2 LEU 122 -9.121 8.409 -2.119 953 HB3 LEU 122 HB3 LEU 122 -9.827 8.420 -3.724 954 HG LEU 122 HG LEU 122 -9.665 5.946 -3.833 955 HD11 LEU 122 HD11 LEU 122 -9.059 4.605 -1.874 956 HD12 LEU 122 HD12 LEU 122 -8.562 6.064 -1.013 957 HD13 LEU 122 HD13 LEU 122 -7.695 5.550 -2.464 958 HD21 LEU 122 HD21 LEU 122 -11.724 6.951 -2.947 959 HD22 LEU 122 HD22 LEU 122 -11.072 6.874 -1.308 960 HD23 LEU 122 HD23 LEU 122 -11.398 5.385 -2.205 961 H ASN 123 H ASN 123 -8.850 8.743 -5.910 962 HA ASN 123 HA ASN 123 -8.892 6.198 -7.190 963 HB2 ASN 123 HB2 ASN 123 -9.391 8.997 -8.305 964 HB3 ASN 123 HB3 ASN 123 -9.618 7.529 -9.252 965 HD21 ASN 123 HD21 ASN 123 -11.609 9.485 -8.632 966 HD22 ASN 123 HD22 ASN 123 -12.849 8.694 -7.730 967 H SER 124 H SER 124 -6.778 8.987 -7.467 968 HA SER 124 HA SER 124 -5.140 8.135 -9.602 969 HB2 SER 124 HB2 SER 124 -5.163 10.462 -8.836 970 HB3 SER 124 HB3 SER 124 -4.538 9.988 -7.259 971 HG SER 124 HG SER 124 -2.951 10.839 -8.739 972 H PHE 125 H PHE 125 -4.855 7.756 -6.051 973 HA PHE 125 HA PHE 125 -2.363 6.426 -5.984 974 HB2 PHE 125 HB2 PHE 125 -3.362 7.477 -3.981 975 HB3 PHE 125 HB3 PHE 125 -4.660 6.288 -3.979 976 HD1 PHE 125 HD2 PHE 125 -1.000 6.749 -3.488 977 HD2 PHE 125 HD1 PHE 125 -4.322 4.102 -2.978 978 HE1 PHE 125 HE2 PHE 125 0.380 5.262 -2.108 979 HE2 PHE 125 HE1 PHE 125 -2.922 2.612 -1.609 980 HZ PHE 125 HZ PHE 125 -0.567 3.195 -1.173 981 H ILE 126 H ILE 126 -5.689 5.207 -6.155 982 HA ILE 126 HA ILE 126 -5.153 2.439 -5.951 983 HB ILE 126 HB ILE 126 -7.488 3.867 -7.330 984 HG12 ILE 126 HG12 ILE 126 -7.411 2.519 -4.587 985 HG13 ILE 126 HG13 ILE 126 -7.265 4.252 -4.835 986 HG21 ILE 126 HG21 ILE 126 -7.265 1.582 -8.228 987 HG22 ILE 126 HG22 ILE 126 -8.703 1.710 -7.216 988 HG23 ILE 126 HG23 ILE 126 -7.254 0.923 -6.590 989 HD11 ILE 126 HD11 ILE 126 -9.502 3.642 -4.141 990 HD12 ILE 126 HD12 ILE 126 -9.675 2.571 -5.533 991 HD13 ILE 126 HD13 ILE 126 -9.519 4.316 -5.769 992 H SER 127 H SER 127 -5.429 4.664 -8.741 993 HA SER 127 HA SER 127 -5.024 2.807 -10.823 994 HB2 SER 127 HB2 SER 127 -4.371 5.786 -10.722 995 HB3 SER 127 HB3 SER 127 -4.386 4.811 -12.194 996 HG SER 127 HG SER 127 -6.626 4.967 -10.476 997 H VAL 128 H VAL 128 -2.673 4.722 -8.924 998 HA VAL 128 HA VAL 128 -0.275 3.966 -10.151 999 HB VAL 128 HB VAL 128 -0.860 4.602 -7.210 1000 HG11 VAL 128 HG11 VAL 128 1.873 4.355 -8.522 1001 HG12 VAL 128 HG12 VAL 128 1.209 3.294 -7.279 1002 HG13 VAL 128 HG13 VAL 128 1.574 4.976 -6.898 1003 HG21 VAL 128 HG21 VAL 128 0.108 6.824 -7.713 1004 HG22 VAL 128 HG22 VAL 128 -1.288 6.482 -8.734 1005 HG23 VAL 128 HG23 VAL 128 0.339 6.344 -9.397 1006 H LEU 129 H LEU 129 -1.893 2.567 -7.328 1007 HA LEU 129 HA LEU 129 -0.321 0.347 -6.840 1008 HB2 LEU 129 HB2 LEU 129 -2.067 1.522 -5.421 1009 HB3 LEU 129 HB3 LEU 129 -3.308 0.663 -6.308 1010 HG LEU 129 HG LEU 129 -1.178 -0.863 -4.751 1011 HD11 LEU 129 HD11 LEU 129 -2.675 -0.895 -2.800 1012 HD12 LEU 129 HD12 LEU 129 -3.771 0.230 -3.608 1013 HD13 LEU 129 HD13 LEU 129 -2.139 0.742 -3.173 1014 HD21 LEU 129 HD21 LEU 129 -2.576 -2.196 -6.261 1015 HD22 LEU 129 HD22 LEU 129 -4.036 -1.558 -5.504 1016 HD23 LEU 129 HD23 LEU 129 -2.936 -2.586 -4.578 1017 H GLU 130 H GLU 130 -3.072 0.673 -9.042 1018 HA GLU 130 HA GLU 130 -3.448 -2.058 -9.739 1019 HB2 GLU 130 HB2 GLU 130 -4.099 0.505 -11.256 1020 HB3 GLU 130 HB3 GLU 130 -4.593 -1.088 -11.812 1021 HG2 GLU 130 HG2 GLU 130 -5.390 -0.082 -9.080 1022 HG3 GLU 130 HG3 GLU 130 -6.285 0.395 -10.514 1023 H THR 131 H THR 131 -1.458 0.551 -11.100 1024 HA THR 131 HA THR 131 -0.399 -0.965 -13.287 1025 HB THR 131 HB THR 131 0.689 1.608 -12.039 1026 HG1 THR 131 HG1 THR 131 -1.558 1.641 -12.781 1027 HG21 THR 131 HG21 THR 131 2.316 0.550 -13.600 1028 HG22 THR 131 HG22 THR 131 1.653 2.035 -14.282 1029 HG23 THR 131 HG23 THR 131 1.067 0.470 -14.850 1030 H VAL 132 H VAL 132 0.757 -0.246 -9.978 1031 HA VAL 132 HA VAL 132 3.378 -1.297 -10.165 1032 HB VAL 132 HB VAL 132 1.537 -1.035 -7.726 1033 HG11 VAL 132 HG11 VAL 132 4.521 -1.655 -7.733 1034 HG12 VAL 132 HG12 VAL 132 3.236 -2.754 -7.233 1035 HG13 VAL 132 HG13 VAL 132 3.555 -1.291 -6.302 1036 HG21 VAL 132 HG21 VAL 132 2.134 1.108 -8.798 1037 HG22 VAL 132 HG22 VAL 132 3.847 0.712 -8.665 1038 HG23 VAL 132 HG23 VAL 132 2.885 0.971 -7.207 1039 H ILE 133 H ILE 133 0.396 -2.777 -8.866 1040 HA ILE 133 HA ILE 133 1.343 -5.400 -8.495 1041 HB ILE 133 HB ILE 133 -1.367 -4.078 -8.624 1042 HG12 ILE 133 HG12 ILE 133 0.082 -5.789 -6.556 1043 HG13 ILE 133 HG13 ILE 133 -0.233 -4.061 -6.483 1044 HG21 ILE 133 HG21 ILE 133 -1.839 -6.066 -9.953 1045 HG22 ILE 133 HG22 ILE 133 -2.641 -6.156 -8.385 1046 HG23 ILE 133 HG23 ILE 133 -1.179 -7.092 -8.682 1047 HD11 ILE 133 HD11 ILE 133 -1.674 -5.188 -4.954 1048 HD12 ILE 133 HD12 ILE 133 -2.245 -6.289 -6.206 1049 HD13 ILE 133 HD13 ILE 133 -2.659 -4.573 -6.283 1050 H GLY 134 H GLY 134 -0.116 -3.791 -11.275 1051 HA2 GLY 134 HA2 GLY 134 -0.446 -5.973 -13.029 1052 HA3 GLY 134 HA3 GLY 134 -0.237 -4.297 -13.507 1053 H THR 135 H THR 135 2.357 -3.904 -12.402 1054 HA THR 135 HA THR 135 4.027 -4.836 -14.526 1055 HB THR 135 HB THR 135 4.831 -3.454 -11.923 1056 HG1 THR 135 HG1 THR 135 3.265 -2.517 -13.718 1057 HG21 THR 135 HG21 THR 135 6.285 -3.570 -14.597 1058 HG22 THR 135 HG22 THR 135 6.804 -4.365 -13.108 1059 HG23 THR 135 HG23 THR 135 6.773 -2.603 -13.208 1060 H ILE 136 H ILE 136 3.358 -5.974 -11.301 1061 HA ILE 136 HA ILE 136 5.534 -7.881 -11.146 1062 HB ILE 136 HB ILE 136 2.991 -7.743 -9.456 1063 HG12 ILE 136 HG12 ILE 136 5.654 -6.444 -8.731 1064 HG13 ILE 136 HG13 ILE 136 4.354 -5.562 -9.526 1065 HG21 ILE 136 HG21 ILE 136 4.231 -9.856 -9.206 1066 HG22 ILE 136 HG22 ILE 136 4.328 -8.898 -7.728 1067 HG23 ILE 136 HG23 ILE 136 5.708 -8.964 -8.828 1068 HD11 ILE 136 HD11 ILE 136 4.205 -6.882 -6.824 1069 HD12 ILE 136 HD12 ILE 136 2.874 -6.053 -7.638 1070 HD13 ILE 136 HD13 ILE 136 4.315 -5.155 -7.166 1071 H GLU 137 H GLU 137 2.200 -7.790 -12.269 1072 HA GLU 137 HA GLU 137 1.836 -10.693 -12.269 1073 HB2 GLU 137 HB2 GLU 137 -0.030 -8.418 -13.050 1074 HB3 GLU 137 HB3 GLU 137 -0.453 -10.119 -13.217 1075 HG2 GLU 137 HG2 GLU 137 -0.190 -10.420 -10.782 1076 HG3 GLU 137 HG3 GLU 137 0.186 -8.705 -10.622 1077 H GLU 138 H GLU 138 1.539 -11.936 -14.015 1078 HA GLU 138 HA GLU 138 2.597 -11.448 -16.573 1079 HB2 GLU 138 HB2 GLU 138 0.448 -13.423 -15.671 1080 HB3 GLU 138 HB3 GLU 138 1.350 -13.538 -17.181 1081 HG2 GLU 138 HG2 GLU 138 3.412 -13.984 -16.018 1082 HG3 GLU 138 HG3 GLU 138 2.695 -13.564 -14.466 1083 H ILE 139 H ILE 139 1.618 -10.727 -18.499 1084 HA ILE 139 HA ILE 139 -0.393 -8.779 -18.275 1085 HB ILE 139 HB ILE 139 -0.322 -8.563 -20.726 1086 HG12 ILE 139 HG12 ILE 139 1.444 -11.060 -20.749 1087 HG13 ILE 139 HG13 ILE 139 -0.210 -10.984 -21.339 1088 HG21 ILE 139 HG21 ILE 139 2.083 -8.017 -20.974 1089 HG22 ILE 139 HG22 ILE 139 2.449 -8.957 -19.527 1090 HG23 ILE 139 HG23 ILE 139 1.460 -7.499 -19.406 1091 HD11 ILE 139 HD11 ILE 139 2.150 -9.500 -22.501 1092 HD12 ILE 139 HD12 ILE 139 0.486 -9.411 -23.085 1093 HD13 ILE 139 HD13 ILE 139 1.370 -10.933 -23.173 1094 H LYS 140 H LYS 140 -2.562 -8.720 -18.799 1095 HA LYS 140 HA LYS 140 -3.928 -11.113 -18.044 1096 HB2 LYS 140 HB2 LYS 140 -5.113 -8.457 -18.962 1097 HB3 LYS 140 HB3 LYS 140 -5.962 -9.720 -18.080 1098 HG2 LYS 140 HG2 LYS 140 -3.614 -8.127 -17.000 1099 HG3 LYS 140 HG3 LYS 140 -5.312 -7.790 -16.655 1100 HD2 LYS 140 HD2 LYS 140 -5.529 -9.999 -15.550 1101 HD3 LYS 140 HD3 LYS 140 -3.839 -10.354 -15.920 1102 HE2 LYS 140 HE2 LYS 140 -3.119 -8.482 -14.494 1103 HE3 LYS 140 HE3 LYS 140 -4.803 -8.073 -14.160 1104 HZ1 LYS 140 HZ1 LYS 140 -3.459 -10.617 -13.398 1105 HZ2 LYS 140 HZ2 LYS 140 -5.072 -10.223 -13.076 1106 HZ3 LYS 140 HZ3 LYS 140 -3.825 -9.335 -12.356 1107 H SER 141 H SER 141 -3.976 -9.132 -21.010 1108 HA SER 141 HA SER 141 -4.198 -11.391 -22.744 1109 HB2 SER 141 HB2 SER 141 -6.591 -11.238 -22.048 1110 HB3 SER 141 HB3 SER 141 -6.645 -9.559 -22.570 1111 HG SER 141 HG SER 141 -6.596 -10.171 -24.643 Start of MODEL 16 1 H1 MET 1 H1 MET 1 -35.036 43.621 9.842 2 H2 MET 1 H2 MET 1 -34.221 44.923 9.131 3 H3 MET 1 H3 MET 1 -33.665 43.348 8.888 4 HA MET 1 HA MET 1 -35.566 42.766 7.625 5 HB2 MET 1 HB2 MET 1 -37.187 44.199 8.902 6 HB3 MET 1 HB3 MET 1 -36.511 45.625 8.136 7 HG2 MET 1 HG2 MET 1 -37.294 44.793 5.933 8 HG3 MET 1 HG3 MET 1 -38.006 43.390 6.735 9 HE1 MET 1 HE1 MET 1 -41.238 45.460 5.845 10 HE2 MET 1 HE2 MET 1 -40.454 43.882 5.742 11 HE3 MET 1 HE3 MET 1 -39.806 45.255 4.840 12 H GLY 2 H GLY 2 -33.916 42.543 6.118 13 HA2 GLY 2 HA2 GLY 2 -32.404 44.699 4.989 14 HA3 GLY 2 HA3 GLY 2 -32.428 43.029 4.450 15 H HIS 3 H HIS 3 -33.914 46.170 4.102 16 HA HIS 3 HA HIS 3 -35.969 45.493 2.261 17 HB2 HIS 3 HB2 HIS 3 -34.607 48.167 2.793 18 HB3 HIS 3 HB3 HIS 3 -36.046 47.973 1.794 19 HD1 HIS 3 HD1 HIS 3 -35.072 48.715 5.181 20 HD2 HIS 3 HD2 HIS 3 -38.281 46.776 3.388 21 HE1 HIS 3 HE1 HIS 3 -36.872 48.621 6.928 22 HE2 HIS 3 HE2 HIS 3 -38.801 47.484 5.802 23 H HIS 4 H HIS 4 -35.737 44.791 0.275 24 HA HIS 4 HA HIS 4 -35.125 44.453 -1.852 25 HB2 HIS 4 HB2 HIS 4 -33.572 47.062 -1.557 26 HB3 HIS 4 HB3 HIS 4 -33.851 46.232 -3.087 27 HD1 HIS 4 HD1 HIS 4 -35.147 48.959 -1.243 28 HD2 HIS 4 HD2 HIS 4 -36.887 45.893 -3.442 29 HE1 HIS 4 HE1 HIS 4 -37.442 49.778 -1.845 30 HE2 HIS 4 HE2 HIS 4 -38.494 47.875 -3.106 31 H HIS 5 H HIS 5 -33.583 43.415 0.441 32 HA HIS 5 HA HIS 5 -30.829 43.204 -0.273 33 HB2 HIS 5 HB2 HIS 5 -31.497 42.764 2.033 34 HB3 HIS 5 HB3 HIS 5 -32.548 41.443 1.531 35 HD1 HIS 5 HD1 HIS 5 -31.525 39.210 1.909 36 HD2 HIS 5 HD2 HIS 5 -28.623 42.105 1.191 37 HE1 HIS 5 HE1 HIS 5 -29.321 38.020 2.071 38 HE2 HIS 5 HE2 HIS 5 -27.602 39.759 1.514 39 H HIS 6 H HIS 6 -30.377 42.460 -2.237 40 HA HIS 6 HA HIS 6 -31.683 40.123 -3.404 41 HB2 HIS 6 HB2 HIS 6 -29.518 41.997 -4.474 42 HB3 HIS 6 HB3 HIS 6 -30.190 40.639 -5.374 43 HD1 HIS 6 HD1 HIS 6 -30.679 44.173 -4.802 44 HD2 HIS 6 HD2 HIS 6 -33.103 40.960 -5.823 45 HE1 HIS 6 HE1 HIS 6 -32.764 45.178 -5.758 46 HE2 HIS 6 HE2 HIS 6 -34.262 43.226 -6.248 47 H HIS 7 H HIS 7 -30.791 38.137 -3.474 48 HA HIS 7 HA HIS 7 -28.255 37.529 -2.234 49 HB2 HIS 7 HB2 HIS 7 -30.208 35.906 -2.261 50 HB3 HIS 7 HB3 HIS 7 -29.987 35.720 -3.997 51 HD1 HIS 7 HD1 HIS 7 -28.836 34.442 -0.775 52 HD2 HIS 7 HD2 HIS 7 -27.402 34.440 -4.674 53 HE1 HIS 7 HE1 HIS 7 -27.047 32.695 -0.838 54 HE2 HIS 7 HE2 HIS 7 -26.321 32.593 -3.239 55 H HIS 8 H HIS 8 -26.508 38.340 -3.290 56 HA HIS 8 HA HIS 8 -26.220 38.250 -6.186 57 HB2 HIS 8 HB2 HIS 8 -24.373 39.157 -3.932 58 HB3 HIS 8 HB3 HIS 8 -23.838 39.088 -5.609 59 HD1 HIS 8 HD1 HIS 8 -24.156 41.176 -6.897 60 HD2 HIS 8 HD2 HIS 8 -26.777 40.959 -3.675 61 HE1 HIS 8 HE1 HIS 8 -25.370 43.369 -6.865 62 HE2 HIS 8 HE2 HIS 8 -26.789 43.281 -4.793 63 H SER 9 H SER 9 -25.240 36.675 -7.307 64 HA SER 9 HA SER 9 -24.638 34.174 -6.017 65 HB2 SER 9 HB2 SER 9 -24.254 33.384 -8.394 66 HB3 SER 9 HB3 SER 9 -25.828 34.136 -8.143 67 HG SER 9 HG SER 9 -24.439 34.764 -10.063 68 H HIS 10 H HIS 10 -22.699 33.548 -5.309 69 HA HIS 10 HA HIS 10 -20.250 34.959 -5.736 70 HB2 HIS 10 HB2 HIS 10 -20.733 32.146 -4.644 71 HB3 HIS 10 HB3 HIS 10 -19.173 32.956 -4.636 72 HD1 HIS 10 HD1 HIS 10 -21.487 32.057 -2.304 73 HD2 HIS 10 HD2 HIS 10 -19.788 35.735 -3.219 74 HE1 HIS 10 HE1 HIS 10 -21.630 33.410 -0.198 75 HE2 HIS 10 HE2 HIS 10 -20.460 35.566 -0.738 76 H MET 11 H MET 11 -19.597 35.068 -7.869 77 HA MET 11 HA MET 11 -19.558 32.946 -9.735 78 HB2 MET 11 HB2 MET 11 -19.216 35.250 -10.490 79 HB3 MET 11 HB3 MET 11 -17.750 35.395 -9.531 80 HG2 MET 11 HG2 MET 11 -16.680 33.662 -10.963 81 HG3 MET 11 HG3 MET 11 -18.144 33.606 -11.950 82 HE1 MET 11 HE1 MET 11 -15.364 35.502 -14.113 83 HE2 MET 11 HE2 MET 11 -16.440 34.105 -14.098 84 HE3 MET 11 HE3 MET 11 -15.093 34.201 -12.958 85 H GLN 12 H GLN 12 -18.623 31.063 -9.305 86 HA GLN 12 HA GLN 12 -16.546 30.586 -7.448 87 HB2 GLN 12 HB2 GLN 12 -16.516 28.267 -8.384 88 HB3 GLN 12 HB3 GLN 12 -18.131 28.822 -7.973 89 HG2 GLN 12 HG2 GLN 12 -18.518 29.341 -10.399 90 HG3 GLN 12 HG3 GLN 12 -16.954 28.615 -10.764 91 HE21 GLN 12 HE21 GLN 12 -19.686 27.843 -11.598 92 HE22 GLN 12 HE22 GLN 12 -19.861 26.190 -11.129 93 H GLU 13 H GLU 13 -14.391 30.272 -7.710 94 HA GLU 13 HA GLU 13 -13.005 31.305 -10.029 95 HB2 GLU 13 HB2 GLU 13 -10.956 30.702 -8.719 96 HB3 GLU 13 HB3 GLU 13 -12.078 31.703 -7.803 97 HG2 GLU 13 HG2 GLU 13 -12.917 29.680 -6.637 98 HG3 GLU 13 HG3 GLU 13 -11.769 28.694 -7.535 99 H LEU 14 H LEU 14 -10.989 29.801 -10.724 100 HA LEU 14 HA LEU 14 -12.078 27.504 -12.050 101 HB2 LEU 14 HB2 LEU 14 -9.221 28.553 -11.845 102 HB3 LEU 14 HB3 LEU 14 -9.646 27.110 -12.750 103 HG LEU 14 HG LEU 14 -11.192 28.555 -14.181 104 HD11 LEU 14 HD11 LEU 14 -10.816 30.975 -14.261 105 HD12 LEU 14 HD12 LEU 14 -9.780 30.867 -12.835 106 HD13 LEU 14 HD13 LEU 14 -11.493 30.464 -12.713 107 HD21 LEU 14 HD21 LEU 14 -9.022 27.810 -15.005 108 HD22 LEU 14 HD22 LEU 14 -8.235 29.212 -14.275 109 HD23 LEU 14 HD23 LEU 14 -9.390 29.431 -15.593 110 HA PRO 15 HA PRO 15 -11.615 24.281 -8.954 111 HB2 PRO 15 HB2 PRO 15 -10.505 22.662 -11.270 112 HB3 PRO 15 HB3 PRO 15 -11.752 22.218 -10.080 113 HG2 PRO 15 HG2 PRO 15 -12.487 22.927 -12.519 114 HG3 PRO 15 HG3 PRO 15 -13.403 23.530 -11.117 115 HD2 PRO 15 HD2 PRO 15 -11.401 24.985 -12.829 116 HD3 PRO 15 HD3 PRO 15 -12.904 25.583 -12.090 117 H ASP 16 H ASP 16 -10.069 24.310 -7.457 118 HA ASP 16 HA ASP 16 -7.244 24.645 -8.027 119 HB2 ASP 16 HB2 ASP 16 -8.235 25.756 -6.064 120 HB3 ASP 16 HB3 ASP 16 -8.757 24.212 -5.406 121 H SER 17 H SER 17 -8.906 22.268 -5.923 122 HA SER 17 HA SER 17 -8.675 20.065 -5.509 123 HB2 SER 17 HB2 SER 17 -8.006 19.900 -8.477 124 HB3 SER 17 HB3 SER 17 -8.617 18.583 -7.473 125 HG SER 17 HG SER 17 -10.115 20.926 -7.485 126 H GLY 18 H GLY 18 -6.866 18.087 -6.723 127 HA2 GLY 18 HA2 GLY 18 -4.140 19.143 -6.371 128 HA3 GLY 18 HA3 GLY 18 -4.672 17.876 -5.268 129 H ALA 19 H ALA 19 -2.639 17.008 -6.436 130 HA ALA 19 HA ALA 19 -3.518 14.996 -8.351 131 HB1 ALA 19 HB1 ALA 19 -1.683 15.467 -9.970 132 HB2 ALA 19 HB2 ALA 19 -1.246 16.912 -9.054 133 HB3 ALA 19 HB3 ALA 19 -2.809 16.821 -9.862 134 H LEU 20 H LEU 20 -2.377 13.099 -8.032 135 HA LEU 20 HA LEU 20 -0.926 12.804 -5.608 136 HB2 LEU 20 HB2 LEU 20 -2.360 11.026 -6.635 137 HB3 LEU 20 HB3 LEU 20 -1.194 10.862 -7.935 138 HG LEU 20 HG LEU 20 0.518 10.259 -6.041 139 HD11 LEU 20 HD11 LEU 20 -0.834 10.944 -4.145 140 HD12 LEU 20 HD12 LEU 20 -0.429 9.234 -4.050 141 HD13 LEU 20 HD13 LEU 20 -2.050 9.729 -4.546 142 HD21 LEU 20 HD21 LEU 20 -0.108 7.891 -6.119 143 HD22 LEU 20 HD22 LEU 20 -0.238 8.655 -7.702 144 HD23 LEU 20 HD23 LEU 20 -1.695 8.329 -6.762 145 H MET 21 H MET 21 0.957 13.984 -5.621 146 HA MET 21 HA MET 21 3.133 13.182 -7.481 147 HB2 MET 21 HB2 MET 21 2.831 15.591 -5.626 148 HB3 MET 21 HB3 MET 21 4.321 15.204 -6.475 149 HG2 MET 21 HG2 MET 21 1.687 15.827 -7.825 150 HG3 MET 21 HG3 MET 21 3.005 16.977 -7.585 151 HE1 MET 21 HE1 MET 21 5.559 15.061 -8.059 152 HE2 MET 21 HE2 MET 21 5.445 16.687 -8.740 153 HE3 MET 21 HE3 MET 21 5.855 15.324 -9.780 154 H LEU 22 H LEU 22 4.082 11.385 -6.605 155 HA LEU 22 HA LEU 22 3.750 10.773 -3.809 156 HB2 LEU 22 HB2 LEU 22 5.005 9.282 -6.153 157 HB3 LEU 22 HB3 LEU 22 5.054 8.639 -4.518 158 HG LEU 22 HG LEU 22 2.466 9.314 -5.975 159 HD11 LEU 22 HD11 LEU 22 3.754 6.585 -5.680 160 HD12 LEU 22 HD12 LEU 22 3.603 7.515 -7.173 161 HD13 LEU 22 HD13 LEU 22 2.158 6.924 -6.360 162 HD21 LEU 22 HD21 LEU 22 1.394 7.979 -4.209 163 HD22 LEU 22 HD22 LEU 22 2.252 9.366 -3.546 164 HD23 LEU 22 HD23 LEU 22 2.958 7.753 -3.418 165 H VAL 23 H VAL 23 4.917 11.876 -2.518 166 HA VAL 23 HA VAL 23 7.854 12.029 -2.772 167 HB VAL 23 HB VAL 23 7.690 14.127 -1.366 168 HG11 VAL 23 HG11 VAL 23 7.865 14.280 -3.836 169 HG12 VAL 23 HG12 VAL 23 6.935 15.623 -3.170 170 HG13 VAL 23 HG13 VAL 23 6.102 14.282 -3.962 171 HG21 VAL 23 HG21 VAL 23 5.492 13.767 -0.290 172 HG22 VAL 23 HG22 VAL 23 4.687 13.923 -1.853 173 HG23 VAL 23 HG23 VAL 23 5.514 15.314 -1.144 174 HA PRO 24 HA PRO 24 7.140 8.989 0.596 175 HB2 PRO 24 HB2 PRO 24 9.874 8.528 1.084 176 HB3 PRO 24 HB3 PRO 24 8.913 7.688 -0.150 177 HG2 PRO 24 HG2 PRO 24 10.737 10.042 -0.468 178 HG3 PRO 24 HG3 PRO 24 10.536 8.616 -1.511 179 HD2 PRO 24 HD2 PRO 24 9.415 10.965 -2.179 180 HD3 PRO 24 HD3 PRO 24 8.562 9.435 -2.484 181 H ASN 25 H ASN 25 9.804 11.383 0.953 182 HA ASN 25 HA ASN 25 10.044 13.210 2.241 183 HB2 ASN 25 HB2 ASN 25 7.765 13.726 1.498 184 HB3 ASN 25 HB3 ASN 25 7.091 12.786 2.824 185 HD21 ASN 25 HD21 ASN 25 5.990 14.422 3.802 186 HD22 ASN 25 HD22 ASN 25 6.733 15.812 4.508 187 H ARG 26 H ARG 26 7.713 11.513 4.346 188 HA ARG 26 HA ARG 26 9.605 11.637 6.615 189 HB2 ARG 26 HB2 ARG 26 6.573 11.294 6.534 190 HB3 ARG 26 HB3 ARG 26 7.532 11.278 8.008 191 HG2 ARG 26 HG2 ARG 26 7.263 13.635 6.113 192 HG3 ARG 26 HG3 ARG 26 6.432 13.452 7.661 193 HD2 ARG 26 HD2 ARG 26 8.644 13.395 8.813 194 HD3 ARG 26 HD3 ARG 26 9.436 13.648 7.259 195 HE ARG 26 HE ARG 26 8.857 15.865 7.313 196 HH11 ARG 26 HH11 ARG 26 7.118 14.236 9.917 197 HH12 ARG 26 HH12 ARG 26 6.628 15.730 10.664 198 HH21 ARG 26 HH21 ARG 26 8.271 17.790 8.347 199 HH22 ARG 26 HH22 ARG 26 7.281 17.724 9.776 200 H GLN 27 H GLN 27 10.728 9.764 6.885 201 HA GLN 27 HA GLN 27 9.786 7.189 6.034 202 HB2 GLN 27 HB2 GLN 27 11.809 6.289 7.258 203 HB3 GLN 27 HB3 GLN 27 12.183 7.518 6.059 204 HG2 GLN 27 HG2 GLN 27 12.563 9.179 7.768 205 HG3 GLN 27 HG3 GLN 27 11.967 8.100 9.024 206 HE21 GLN 27 HE21 GLN 27 14.661 8.801 6.897 207 HE22 GLN 27 HE22 GLN 27 15.805 7.791 7.703 208 H LEU 28 H LEU 28 7.919 6.549 6.979 209 HA LEU 28 HA LEU 28 7.368 6.964 9.801 210 HB2 LEU 28 HB2 LEU 28 5.731 5.424 7.749 211 HB3 LEU 28 HB3 LEU 28 5.184 5.986 9.323 212 HG LEU 28 HG LEU 28 5.830 7.689 6.889 213 HD11 LEU 28 HD11 LEU 28 3.647 6.569 6.869 214 HD12 LEU 28 HD12 LEU 28 3.489 8.317 6.986 215 HD13 LEU 28 HD13 LEU 28 3.242 7.314 8.419 216 HD21 LEU 28 HD21 LEU 28 6.671 8.891 8.821 217 HD22 LEU 28 HD22 LEU 28 5.151 8.650 9.687 218 HD23 LEU 28 HD23 LEU 28 5.196 9.660 8.238 219 H THR 29 H THR 29 7.745 5.537 11.364 220 HA THR 29 HA THR 29 8.989 2.989 10.863 221 HB THR 29 HB THR 29 8.964 2.717 13.338 222 HG1 THR 29 HG1 THR 29 7.929 4.183 14.640 223 HG21 THR 29 HG21 THR 29 10.789 4.049 12.297 224 HG22 THR 29 HG22 THR 29 10.396 4.644 13.911 225 HG23 THR 29 HG23 THR 29 9.823 5.515 12.488 226 H ALA 30 H ALA 30 8.098 0.926 11.661 227 HA ALA 30 HA ALA 30 5.546 0.344 10.668 228 HB1 ALA 30 HB1 ALA 30 5.877 -1.903 11.615 229 HB2 ALA 30 HB2 ALA 30 7.222 -1.309 12.593 230 HB3 ALA 30 HB3 ALA 30 7.348 -1.325 10.834 231 H ASP 31 H ASP 31 6.629 1.072 13.954 232 HA ASP 31 HA ASP 31 4.214 0.518 15.325 233 HB2 ASP 31 HB2 ASP 31 6.522 2.380 16.006 234 HB3 ASP 31 HB3 ASP 31 5.169 2.100 17.099 235 H TYR 32 H TYR 32 5.451 3.516 13.811 236 HA TYR 32 HA TYR 32 3.316 5.212 14.632 237 HB2 TYR 32 HB2 TYR 32 5.459 6.159 13.816 238 HB3 TYR 32 HB3 TYR 32 5.162 5.496 12.214 239 HD1 TYR 32 HD2 TYR 32 4.091 8.085 14.652 240 HD2 TYR 32 HD1 TYR 32 3.614 6.640 10.655 241 HE1 TYR 32 HE2 TYR 32 2.873 10.127 14.049 242 HE2 TYR 32 HE1 TYR 32 2.395 8.688 10.059 243 HH TYR 32 HH TYR 32 1.049 10.428 11.269 244 H PHE 33 H PHE 33 3.962 3.342 11.686 245 HA PHE 33 HA PHE 33 1.819 4.103 10.098 246 HB2 PHE 33 HB2 PHE 33 3.755 2.715 9.307 247 HB3 PHE 33 HB3 PHE 33 3.131 1.337 10.203 248 HD1 PHE 33 HD1 PHE 33 0.849 0.341 9.473 249 HD2 PHE 33 HD2 PHE 33 2.973 3.190 7.098 250 HE1 PHE 33 HE1 PHE 33 -0.494 -0.281 7.515 251 HE2 PHE 33 HE2 PHE 33 1.620 2.548 5.151 252 HZ PHE 33 HZ PHE 33 -0.120 0.824 5.357 253 H GLU 34 H GLU 34 2.095 1.335 12.324 254 HA GLU 34 HA GLU 34 -0.475 0.241 12.013 255 HB2 GLU 34 HB2 GLU 34 1.431 -0.989 12.990 256 HB3 GLU 34 HB3 GLU 34 1.444 0.088 14.383 257 HG2 GLU 34 HG2 GLU 34 -0.868 -0.743 14.958 258 HG3 GLU 34 HG3 GLU 34 -0.727 -1.909 13.643 259 H LYS 35 H LYS 35 0.791 2.636 14.308 260 HA LYS 35 HA LYS 35 -1.447 2.910 15.998 261 HB2 LYS 35 HB2 LYS 35 0.776 3.764 16.604 262 HB3 LYS 35 HB3 LYS 35 0.730 4.914 15.273 263 HG2 LYS 35 HG2 LYS 35 -1.142 6.105 16.349 264 HG3 LYS 35 HG3 LYS 35 -1.131 4.947 17.679 265 HD2 LYS 35 HD2 LYS 35 1.175 6.793 16.945 266 HD3 LYS 35 HD3 LYS 35 0.016 7.092 18.239 267 HE2 LYS 35 HE2 LYS 35 0.787 5.038 19.388 268 HE3 LYS 35 HE3 LYS 35 1.955 4.760 18.093 269 HZ1 LYS 35 HZ1 LYS 35 2.957 5.828 20.032 270 HZ2 LYS 35 HZ2 LYS 35 1.911 7.144 19.865 271 HZ3 LYS 35 HZ3 LYS 35 3.053 6.819 18.666 272 H THR 36 H THR 36 -0.428 4.815 13.164 273 HA THR 36 HA THR 36 -2.661 6.590 13.149 274 HB THR 36 HB THR 36 -0.676 6.021 10.892 275 HG1 THR 36 HG1 THR 36 0.574 6.692 12.550 276 HG21 THR 36 HG21 THR 36 -2.362 8.502 11.453 277 HG22 THR 36 HG22 THR 36 -2.604 7.372 10.118 278 HG23 THR 36 HG23 THR 36 -1.143 8.358 10.184 279 H TRP 37 H TRP 37 -1.938 3.498 11.647 280 HA TRP 37 HA TRP 37 -3.984 3.305 9.729 281 HB2 TRP 37 HB2 TRP 37 -2.091 1.728 9.763 282 HB3 TRP 37 HB3 TRP 37 -2.569 1.129 11.346 283 HD1 TRP 37 HD1 TRP 37 -4.558 -0.653 11.431 284 HE1 TRP 37 HE1 TRP 37 -5.729 -2.071 9.642 285 HE3 TRP 37 HE3 TRP 37 -2.790 1.669 7.248 286 HZ2 TRP 37 HZ2 TRP 37 -5.884 -2.210 6.846 287 HZ3 TRP 37 HZ3 TRP 37 -3.498 0.833 5.046 288 HH2 TRP 37 HH2 TRP 37 -5.013 -1.073 4.847 289 H LEU 38 H LEU 38 -3.873 2.275 13.148 290 HA LEU 38 HA LEU 38 -6.619 1.402 13.210 291 HB2 LEU 38 HB2 LEU 38 -4.672 1.929 15.495 292 HB3 LEU 38 HB3 LEU 38 -6.226 1.124 15.660 293 HG LEU 38 HG LEU 38 -3.814 0.077 14.124 294 HD11 LEU 38 HD11 LEU 38 -3.546 -0.109 16.541 295 HD12 LEU 38 HD12 LEU 38 -3.739 -1.698 15.805 296 HD13 LEU 38 HD13 LEU 38 -5.090 -0.958 16.672 297 HD21 LEU 38 HD21 LEU 38 -5.830 -0.593 12.945 298 HD22 LEU 38 HD22 LEU 38 -6.540 -1.216 14.436 299 HD23 LEU 38 HD23 LEU 38 -5.107 -1.985 13.749 300 H SER 39 H SER 39 -4.957 4.415 13.737 301 HA SER 39 HA SER 39 -7.056 5.803 15.119 302 HB2 SER 39 HB2 SER 39 -4.685 6.553 15.235 303 HB3 SER 39 HB3 SER 39 -4.705 6.920 13.510 304 HG SER 39 HG SER 39 -6.756 8.130 14.850 305 H LEU 40 H LEU 40 -6.445 5.015 11.755 306 HA LEU 40 HA LEU 40 -8.502 6.948 10.832 307 HB2 LEU 40 HB2 LEU 40 -6.238 5.592 9.300 308 HB3 LEU 40 HB3 LEU 40 -7.475 6.594 8.552 309 HG LEU 40 HG LEU 40 -5.450 7.575 10.604 310 HD11 LEU 40 HD11 LEU 40 -4.378 6.995 8.489 311 HD12 LEU 40 HD12 LEU 40 -4.365 8.733 8.752 312 HD13 LEU 40 HD13 LEU 40 -5.509 8.023 7.609 313 HD21 LEU 40 HD21 LEU 40 -7.522 8.854 10.716 314 HD22 LEU 40 HD22 LEU 40 -7.488 9.123 8.973 315 HD23 LEU 40 HD23 LEU 40 -6.240 9.832 10.002 316 H LYS 41 H LYS 41 -9.961 6.152 9.181 317 HA LYS 41 HA LYS 41 -10.678 3.300 9.527 318 HB2 LYS 41 HB2 LYS 41 -12.300 5.659 8.471 319 HB3 LYS 41 HB3 LYS 41 -12.896 4.012 8.655 320 HG2 LYS 41 HG2 LYS 41 -12.630 4.143 11.088 321 HG3 LYS 41 HG3 LYS 41 -11.925 5.757 10.938 322 HD2 LYS 41 HD2 LYS 41 -14.251 5.976 11.606 323 HD3 LYS 41 HD3 LYS 41 -14.061 6.577 9.959 324 HE2 LYS 41 HE2 LYS 41 -14.961 4.435 9.090 325 HE3 LYS 41 HE3 LYS 41 -15.178 3.867 10.748 326 HZ1 LYS 41 HZ1 LYS 41 -16.736 5.659 11.140 327 HZ2 LYS 41 HZ2 LYS 41 -17.233 4.749 9.805 328 HZ3 LYS 41 HZ3 LYS 41 -16.509 6.259 9.573 329 H VAL 42 H VAL 42 -11.221 2.070 7.640 330 HA VAL 42 HA VAL 42 -9.405 2.327 5.484 331 HB VAL 42 HB VAL 42 -11.938 0.616 5.669 332 HG11 VAL 42 HG11 VAL 42 -11.225 0.859 3.318 333 HG12 VAL 42 HG12 VAL 42 -10.972 -0.790 3.892 334 HG13 VAL 42 HG13 VAL 42 -9.600 0.312 3.743 335 HG21 VAL 42 HG21 VAL 42 -10.314 0.123 7.463 336 HG22 VAL 42 HG22 VAL 42 -9.046 -0.129 6.262 337 HG23 VAL 42 HG23 VAL 42 -10.429 -1.224 6.328 338 H ALA 43 H ALA 43 -9.506 3.631 3.762 339 HA ALA 43 HA ALA 43 -11.865 5.293 3.262 340 HB1 ALA 43 HB1 ALA 43 -9.107 5.338 1.964 341 HB2 ALA 43 HB2 ALA 43 -9.639 6.351 3.307 342 HB3 ALA 43 HB3 ALA 43 -10.383 6.538 1.719 343 H HIS 44 H HIS 44 -9.839 2.930 1.579 344 HA HIS 44 HA HIS 44 -12.117 2.146 -0.107 345 HB2 HIS 44 HB2 HIS 44 -10.660 3.615 -1.474 346 HB3 HIS 44 HB3 HIS 44 -9.258 2.615 -1.096 347 HD2 HIS 44 HD2 HIS 44 -8.802 0.663 -2.927 348 HE1 HIS 44 HE1 HIS 44 -12.625 0.720 -4.725 349 HE2 HIS 44 HE2 HIS 44 -10.230 -0.060 -4.958 350 H GLN 45 H GLN 45 -12.304 -0.015 -0.381 351 HA GLN 45 HA GLN 45 -10.075 -1.830 0.294 352 HB2 GLN 45 HB2 GLN 45 -11.675 -1.823 2.217 353 HB3 GLN 45 HB3 GLN 45 -12.997 -2.229 1.127 354 HG2 GLN 45 HG2 GLN 45 -11.857 -4.394 0.602 355 HG3 GLN 45 HG3 GLN 45 -10.592 -3.980 1.760 356 HE21 GLN 45 HE21 GLN 45 -11.103 -3.997 3.994 357 HE22 GLN 45 HE22 GLN 45 -12.497 -4.817 4.597 358 H GLN 46 H GLN 46 -9.649 -2.911 -1.485 359 HA GLN 46 HA GLN 46 -11.753 -3.782 -3.379 360 HB2 GLN 46 HB2 GLN 46 -10.614 -1.819 -4.302 361 HB3 GLN 46 HB3 GLN 46 -9.034 -2.497 -3.932 362 HG2 GLN 46 HG2 GLN 46 -9.369 -4.242 -5.625 363 HG3 GLN 46 HG3 GLN 46 -10.981 -3.610 -5.978 364 HE21 GLN 46 HE21 GLN 46 -8.590 -3.862 -7.705 365 HE22 GLN 46 HE22 GLN 46 -8.270 -2.288 -8.316 366 H VAL 47 H VAL 47 -11.645 -5.944 -3.662 367 HA VAL 47 HA VAL 47 -9.161 -7.419 -2.985 368 HB VAL 47 HB VAL 47 -11.986 -8.552 -3.379 369 HG11 VAL 47 HG11 VAL 47 -11.108 -10.577 -2.279 370 HG12 VAL 47 HG12 VAL 47 -9.509 -9.835 -2.173 371 HG13 VAL 47 HG13 VAL 47 -10.206 -10.206 -3.752 372 HG21 VAL 47 HG21 VAL 47 -10.592 -7.925 -0.743 373 HG22 VAL 47 HG22 VAL 47 -12.161 -8.718 -0.925 374 HG23 VAL 47 HG23 VAL 47 -11.959 -7.037 -1.423 375 H LEU 48 H LEU 48 -8.211 -8.760 -4.567 376 HA LEU 48 HA LEU 48 -9.242 -8.602 -7.326 377 HB2 LEU 48 HB2 LEU 48 -6.452 -7.889 -6.344 378 HB3 LEU 48 HB3 LEU 48 -6.772 -8.278 -8.026 379 HG LEU 48 HG LEU 48 -7.982 -5.943 -6.494 380 HD11 LEU 48 HD11 LEU 48 -5.889 -5.942 -8.688 381 HD12 LEU 48 HD12 LEU 48 -5.607 -5.610 -6.977 382 HD13 LEU 48 HD13 LEU 48 -6.611 -4.519 -7.929 383 HD21 LEU 48 HD21 LEU 48 -9.562 -6.792 -8.153 384 HD22 LEU 48 HD22 LEU 48 -8.326 -6.720 -9.410 385 HD23 LEU 48 HD23 LEU 48 -8.914 -5.233 -8.660 386 HA PRO 49 HA PRO 49 -8.177 -13.010 -7.184 387 HB2 PRO 49 HB2 PRO 49 -8.640 -13.635 -9.821 388 HB3 PRO 49 HB3 PRO 49 -9.960 -13.346 -8.671 389 HG2 PRO 49 HG2 PRO 49 -8.810 -11.487 -10.719 390 HG3 PRO 49 HG3 PRO 49 -10.514 -11.770 -10.294 391 HD2 PRO 49 HD2 PRO 49 -9.090 -9.621 -9.360 392 HD3 PRO 49 HD3 PRO 49 -10.427 -10.357 -8.450 393 H TRP 50 H TRP 50 -6.046 -13.415 -6.908 394 HA TRP 50 HA TRP 50 -4.048 -12.066 -8.550 395 HB2 TRP 50 HB2 TRP 50 -3.887 -12.058 -6.043 396 HB3 TRP 50 HB3 TRP 50 -3.645 -13.804 -6.063 397 HD1 TRP 50 HD1 TRP 50 -1.142 -14.558 -6.210 398 HE1 TRP 50 HE1 TRP 50 1.055 -13.447 -6.926 399 HE3 TRP 50 HE3 TRP 50 -2.963 -10.017 -7.635 400 HZ2 TRP 50 HZ2 TRP 50 1.916 -10.957 -7.922 401 HZ3 TRP 50 HZ3 TRP 50 -1.391 -8.319 -8.436 402 HH2 TRP 50 HH2 TRP 50 1.000 -8.779 -8.577 403 H ARG 51 H ARG 51 -2.264 -13.105 -9.528 404 HA ARG 51 HA ARG 51 -2.673 -15.430 -11.054 405 HB2 ARG 51 HB2 ARG 51 -1.104 -13.614 -11.677 406 HB3 ARG 51 HB3 ARG 51 -0.077 -14.002 -10.304 407 HG2 ARG 51 HG2 ARG 51 0.467 -16.183 -11.305 408 HG3 ARG 51 HG3 ARG 51 -0.598 -15.842 -12.667 409 HD2 ARG 51 HD2 ARG 51 0.853 -14.039 -13.412 410 HD3 ARG 51 HD3 ARG 51 1.851 -14.194 -11.964 411 HE ARG 51 HE ARG 51 2.580 -16.358 -12.765 412 HH11 ARG 51 HH11 ARG 51 1.004 -14.401 -15.238 413 HH12 ARG 51 HH12 ARG 51 1.757 -15.264 -16.541 414 HH21 ARG 51 HH21 ARG 51 3.569 -17.429 -14.467 415 HH22 ARG 51 HH22 ARG 51 3.205 -16.976 -16.106 416 H GLY 52 H GLY 52 -1.467 -17.479 -10.993 417 HA2 GLY 52 HA2 GLY 52 -1.579 -18.861 -8.541 418 HA3 GLY 52 HA3 GLY 52 -0.835 -19.445 -10.018 419 H GLU 53 H GLU 53 0.889 -16.750 -9.576 420 HA GLU 53 HA GLU 53 2.647 -17.648 -7.388 421 HB2 GLU 53 HB2 GLU 53 4.664 -17.323 -8.727 422 HB3 GLU 53 HB3 GLU 53 3.618 -18.484 -9.537 423 HG2 GLU 53 HG2 GLU 53 2.806 -16.631 -11.020 424 HG3 GLU 53 HG3 GLU 53 4.000 -15.569 -10.277 425 H PHE 54 H PHE 54 3.772 -15.984 -6.352 426 HA PHE 54 HA PHE 54 3.102 -13.188 -7.071 427 HB2 PHE 54 HB2 PHE 54 2.008 -13.916 -4.955 428 HB3 PHE 54 HB3 PHE 54 3.582 -14.334 -4.280 429 HD1 PHE 54 HD2 PHE 54 1.712 -11.465 -5.738 430 HD2 PHE 54 HD1 PHE 54 4.753 -12.671 -3.035 431 HE1 PHE 54 HE2 PHE 54 1.977 -9.135 -5.036 432 HE2 PHE 54 HE1 PHE 54 5.014 -10.337 -2.324 433 HZ PHE 54 HZ PHE 54 3.641 -8.570 -3.327 434 H HIS 55 H HIS 55 4.766 -11.639 -6.940 435 HA HIS 55 HA HIS 55 7.540 -12.633 -6.514 436 HB2 HIS 55 HB2 HIS 55 6.628 -10.486 -8.477 437 HB3 HIS 55 HB3 HIS 55 8.279 -11.045 -8.255 438 HD1 HIS 55 HD1 HIS 55 5.959 -11.239 -10.745 439 HD2 HIS 55 HD2 HIS 55 7.982 -14.216 -8.672 440 HE1 HIS 55 HE1 HIS 55 5.928 -13.249 -12.248 441 HE2 HIS 55 HE2 HIS 55 7.081 -15.050 -10.933 442 HA PRO 56 HA PRO 56 6.701 -9.296 -3.349 443 HB2 PRO 56 HB2 PRO 56 8.447 -10.224 -1.412 444 HB3 PRO 56 HB3 PRO 56 6.802 -10.851 -1.639 445 HG2 PRO 56 HG2 PRO 56 9.396 -12.022 -2.569 446 HG3 PRO 56 HG3 PRO 56 7.977 -12.832 -1.870 447 HD2 PRO 56 HD2 PRO 56 8.488 -12.818 -4.555 448 HD3 PRO 56 HD3 PRO 56 6.842 -12.889 -3.888 449 H ASP 57 H ASP 57 9.884 -10.471 -4.285 450 HA ASP 57 HA ASP 57 11.395 -8.173 -3.667 451 HB2 ASP 57 HB2 ASP 57 11.947 -10.282 -5.807 452 HB3 ASP 57 HB3 ASP 57 13.134 -9.156 -5.147 453 H THR 58 H THR 58 9.715 -9.156 -6.627 454 HA THR 58 HA THR 58 10.562 -7.034 -8.306 455 HB THR 58 HB THR 58 7.985 -8.662 -8.486 456 HG1 THR 58 HG1 THR 58 10.654 -9.211 -9.258 457 HG21 THR 58 HG21 THR 58 9.534 -7.210 -10.664 458 HG22 THR 58 HG22 THR 58 7.959 -6.732 -10.025 459 HG23 THR 58 HG23 THR 58 8.127 -8.245 -10.920 460 H LEU 59 H LEU 59 7.739 -7.484 -6.152 461 HA LEU 59 HA LEU 59 6.386 -5.080 -6.697 462 HB2 LEU 59 HB2 LEU 59 5.314 -6.922 -5.433 463 HB3 LEU 59 HB3 LEU 59 6.425 -6.664 -4.097 464 HG LEU 59 HG LEU 59 5.443 -4.373 -3.748 465 HD11 LEU 59 HD11 LEU 59 4.639 -3.897 -5.993 466 HD12 LEU 59 HD12 LEU 59 3.338 -3.745 -4.818 467 HD13 LEU 59 HD13 LEU 59 3.421 -5.168 -5.859 468 HD21 LEU 59 HD21 LEU 59 3.336 -5.090 -2.743 469 HD22 LEU 59 HD22 LEU 59 4.628 -6.240 -2.409 470 HD23 LEU 59 HD23 LEU 59 3.410 -6.614 -3.634 471 H GLN 60 H GLN 60 8.829 -5.900 -4.242 472 HA GLN 60 HA GLN 60 8.753 -3.460 -2.843 473 HB2 GLN 60 HB2 GLN 60 9.729 -5.693 -2.059 474 HB3 GLN 60 HB3 GLN 60 11.165 -5.320 -3.010 475 HG2 GLN 60 HG2 GLN 60 11.508 -3.268 -1.662 476 HG3 GLN 60 HG3 GLN 60 10.064 -3.654 -0.722 477 HE21 GLN 60 HE21 GLN 60 11.144 -3.834 1.234 478 HE22 GLN 60 HE22 GLN 60 12.269 -5.096 1.582 479 H MET 61 H MET 61 11.067 -4.640 -5.345 480 HA MET 61 HA MET 61 12.631 -2.339 -5.568 481 HB2 MET 61 HB2 MET 61 11.993 -4.495 -7.619 482 HB3 MET 61 HB3 MET 61 13.136 -3.196 -7.942 483 HG2 MET 61 HG2 MET 61 14.507 -3.942 -6.025 484 HG3 MET 61 HG3 MET 61 13.373 -5.262 -5.745 485 HE1 MET 61 HE1 MET 61 13.066 -7.342 -7.396 486 HE2 MET 61 HE2 MET 61 13.900 -7.486 -8.940 487 HE3 MET 61 HE3 MET 61 12.663 -6.249 -8.729 488 H ALA 62 H ALA 62 9.531 -3.131 -7.125 489 HA ALA 62 HA ALA 62 9.406 -0.937 -8.929 490 HB1 ALA 62 HB1 ALA 62 7.121 -2.487 -7.653 491 HB2 ALA 62 HB2 ALA 62 7.939 -2.903 -9.157 492 HB3 ALA 62 HB3 ALA 62 6.991 -1.420 -9.060 493 H LEU 63 H LEU 63 8.396 -1.394 -5.551 494 HA LEU 63 HA LEU 63 6.913 0.944 -5.146 495 HB2 LEU 63 HB2 LEU 63 8.559 -0.629 -3.128 496 HB3 LEU 63 HB3 LEU 63 7.372 0.598 -2.705 497 HG LEU 63 HG LEU 63 6.723 -1.966 -4.190 498 HD11 LEU 63 HD11 LEU 63 7.467 -2.484 -1.944 499 HD12 LEU 63 HD12 LEU 63 5.739 -2.780 -2.118 500 HD13 LEU 63 HD13 LEU 63 6.305 -1.337 -1.268 501 HD21 LEU 63 HD21 LEU 63 4.382 -1.424 -3.738 502 HD22 LEU 63 HD22 LEU 63 5.153 -0.178 -4.715 503 HD23 LEU 63 HD23 LEU 63 4.865 0.103 -2.994 504 H GLN 64 H GLN 64 10.396 0.322 -4.440 505 HA GLN 64 HA GLN 64 11.136 2.877 -3.633 506 HB2 GLN 64 HB2 GLN 64 12.746 0.776 -5.141 507 HB3 GLN 64 HB3 GLN 64 13.456 2.322 -4.692 508 HG2 GLN 64 HG2 GLN 64 14.151 0.890 -2.979 509 HG3 GLN 64 HG3 GLN 64 12.785 1.739 -2.268 510 HE21 GLN 64 HE21 GLN 64 10.841 0.554 -1.904 511 HE22 GLN 64 HE22 GLN 64 10.830 -1.169 -1.870 512 H VAL 65 H VAL 65 10.814 1.656 -7.023 513 HA VAL 65 HA VAL 65 11.903 3.992 -8.253 514 HB VAL 65 HB VAL 65 10.091 1.866 -9.502 515 HG11 VAL 65 HG11 VAL 65 10.249 3.890 -10.909 516 HG12 VAL 65 HG12 VAL 65 11.076 2.531 -11.668 517 HG13 VAL 65 HG13 VAL 65 12.012 3.794 -10.867 518 HG21 VAL 65 HG21 VAL 65 12.104 0.851 -8.490 519 HG22 VAL 65 HG22 VAL 65 13.131 1.940 -9.422 520 HG23 VAL 65 HG23 VAL 65 12.144 0.731 -10.250 521 H VAL 66 H VAL 66 8.636 3.071 -7.199 522 HA VAL 66 HA VAL 66 7.448 5.469 -8.482 523 HB VAL 66 HB VAL 66 5.233 4.521 -7.970 524 HG11 VAL 66 HG11 VAL 66 7.028 2.477 -9.323 525 HG12 VAL 66 HG12 VAL 66 6.287 3.882 -10.094 526 HG13 VAL 66 HG13 VAL 66 5.271 2.579 -9.478 527 HG21 VAL 66 HG21 VAL 66 4.935 2.277 -7.003 528 HG22 VAL 66 HG22 VAL 66 5.781 3.332 -5.870 529 HG23 VAL 66 HG23 VAL 66 6.683 2.128 -6.784 530 H ASN 67 H ASN 67 9.083 4.939 -5.780 531 HA ASN 67 HA ASN 67 9.458 6.133 -3.907 532 HB2 ASN 67 HB2 ASN 67 7.518 8.082 -5.219 533 HB3 ASN 67 HB3 ASN 67 8.355 8.444 -3.721 534 HD21 ASN 67 HD21 ASN 67 9.693 6.787 -6.584 535 HD22 ASN 67 HD22 ASN 67 10.863 8.001 -6.930 536 H ILE 68 H ILE 68 7.241 4.125 -3.933 537 HA ILE 68 HA ILE 68 5.587 4.972 -1.655 538 HB ILE 68 HB ILE 68 5.666 2.256 -3.064 539 HG12 ILE 68 HG12 ILE 68 4.861 4.020 -4.602 540 HG13 ILE 68 HG13 ILE 68 3.567 2.906 -4.189 541 HG21 ILE 68 HG21 ILE 68 3.514 1.806 -1.909 542 HG22 ILE 68 HG22 ILE 68 3.654 3.340 -1.046 543 HG23 ILE 68 HG23 ILE 68 4.832 2.056 -0.764 544 HD11 ILE 68 HD11 ILE 68 2.688 4.575 -2.608 545 HD12 ILE 68 HD12 ILE 68 2.762 5.156 -4.270 546 HD13 ILE 68 HD13 ILE 68 3.973 5.681 -3.104 547 H GLN 69 H GLN 69 6.381 4.702 0.337 548 HA GLN 69 HA GLN 69 8.852 3.458 0.944 549 HB2 GLN 69 HB2 GLN 69 7.752 5.420 2.192 550 HB3 GLN 69 HB3 GLN 69 6.670 4.245 2.933 551 HG2 GLN 69 HG2 GLN 69 8.758 3.061 3.798 552 HG3 GLN 69 HG3 GLN 69 9.676 4.468 3.266 553 HE21 GLN 69 HE21 GLN 69 9.486 3.473 5.923 554 HE22 GLN 69 HE22 GLN 69 8.754 4.702 6.887 555 H THR 70 H THR 70 9.283 1.381 1.584 556 HA THR 70 HA THR 70 7.075 -0.541 1.919 557 HB THR 70 HB THR 70 10.075 -1.125 1.841 558 HG1 THR 70 HG1 THR 70 8.531 -0.254 -0.154 559 HG21 THR 70 HG21 THR 70 9.353 -3.412 1.195 560 HG22 THR 70 HG22 THR 70 7.664 -2.927 1.343 561 HG23 THR 70 HG23 THR 70 8.699 -2.968 2.773 562 H ILE 71 H ILE 71 6.295 -0.506 3.970 563 HA ILE 71 HA ILE 71 7.875 0.262 6.286 564 HB ILE 71 HB ILE 71 4.988 -0.721 6.045 565 HG12 ILE 71 HG12 ILE 71 5.454 1.428 4.832 566 HG13 ILE 71 HG13 ILE 71 4.295 1.607 6.139 567 HG21 ILE 71 HG21 ILE 71 4.617 0.216 8.303 568 HG22 ILE 71 HG22 ILE 71 6.339 0.580 8.437 569 HG23 ILE 71 HG23 ILE 71 5.798 -1.094 8.317 570 HD11 ILE 71 HD11 ILE 71 5.810 3.471 6.054 571 HD12 ILE 71 HD12 ILE 71 7.195 2.397 6.216 572 HD13 ILE 71 HD13 ILE 71 6.049 2.570 7.549 573 H ALA 72 H ALA 72 5.929 -2.554 5.340 574 HA ALA 72 HA ALA 72 7.894 -4.435 6.431 575 HB1 ALA 72 HB1 ALA 72 4.960 -4.413 7.292 576 HB2 ALA 72 HB2 ALA 72 6.345 -4.031 8.316 577 HB3 ALA 72 HB3 ALA 72 6.140 -5.667 7.695 578 H MET 73 H MET 73 7.608 -6.554 5.556 579 HA MET 73 HA MET 73 5.549 -7.126 3.604 580 HB2 MET 73 HB2 MET 73 7.156 -5.859 2.198 581 HB3 MET 73 HB3 MET 73 8.476 -6.892 2.718 582 HG2 MET 73 HG2 MET 73 7.533 -8.786 1.540 583 HG3 MET 73 HG3 MET 73 6.070 -7.880 1.155 584 HE1 MET 73 HE1 MET 73 7.388 -5.278 -1.476 585 HE2 MET 73 HE2 MET 73 7.162 -5.027 0.254 586 HE3 MET 73 HE3 MET 73 5.959 -5.928 -0.672 587 H SER 74 H SER 74 5.115 -9.280 3.705 588 HA SER 74 HA SER 74 6.604 -11.009 5.419 589 HB2 SER 74 HB2 SER 74 4.331 -11.625 3.485 590 HB3 SER 74 HB3 SER 74 4.994 -12.779 4.646 591 HG SER 74 HG SER 74 4.170 -10.270 5.580 592 H ARG 75 H ARG 75 7.502 -13.083 4.745 593 HA ARG 75 HA ARG 75 9.592 -12.591 2.811 594 HB2 ARG 75 HB2 ARG 75 8.992 -14.985 4.595 595 HB3 ARG 75 HB3 ARG 75 10.450 -14.822 3.618 596 HG2 ARG 75 HG2 ARG 75 11.159 -12.878 4.910 597 HG3 ARG 75 HG3 ARG 75 9.649 -12.884 5.824 598 HD2 ARG 75 HD2 ARG 75 11.576 -13.856 7.081 599 HD3 ARG 75 HD3 ARG 75 10.234 -14.987 6.882 600 HE ARG 75 HE ARG 75 12.379 -15.133 4.913 601 HH11 ARG 75 HH11 ARG 75 11.038 -16.535 7.856 602 HH12 ARG 75 HH12 ARG 75 11.903 -18.027 7.668 603 HH21 ARG 75 HH21 ARG 75 13.418 -17.126 4.636 604 HH22 ARG 75 HH22 ARG 75 13.251 -18.364 5.844 605 H ALA 76 H ALA 76 10.132 -13.995 1.049 606 HA ALA 76 HA ALA 76 8.034 -14.720 -0.698 607 HB1 ALA 76 HB1 ALA 76 9.846 -15.653 -2.117 608 HB2 ALA 76 HB2 ALA 76 10.975 -15.522 -0.767 609 HB3 ALA 76 HB3 ALA 76 10.286 -14.064 -1.483 610 H GLY 77 H GLY 77 6.779 -16.524 -0.696 611 HA2 GLY 77 HA2 GLY 77 6.310 -18.824 -0.564 612 HA3 GLY 77 HA3 GLY 77 7.769 -19.088 0.375 613 H SER 78 H SER 78 6.764 -16.623 2.066 614 HA SER 78 HA SER 78 5.340 -18.215 4.037 615 HB2 SER 78 HB2 SER 78 6.191 -15.278 4.115 616 HB3 SER 78 HB3 SER 78 5.625 -16.232 5.491 617 HG SER 78 HG SER 78 7.514 -17.672 4.752 618 H ARG 79 H ARG 79 3.207 -18.429 3.927 619 HA ARG 79 HA ARG 79 1.470 -16.182 3.097 620 HB2 ARG 79 HB2 ARG 79 1.379 -19.087 2.293 621 HB3 ARG 79 HB3 ARG 79 -0.163 -18.301 2.584 622 HG2 ARG 79 HG2 ARG 79 0.287 -18.201 0.234 623 HG3 ARG 79 HG3 ARG 79 0.428 -16.568 0.885 624 HD2 ARG 79 HD2 ARG 79 2.194 -16.930 -0.716 625 HD3 ARG 79 HD3 ARG 79 2.915 -16.847 0.889 626 HE ARG 79 HE ARG 79 2.873 -19.400 0.769 627 HH11 ARG 79 HH11 ARG 79 3.318 -17.395 -2.106 628 HH12 ARG 79 HH12 ARG 79 4.213 -18.619 -2.952 629 HH21 ARG 79 HH21 ARG 79 4.082 -20.962 -0.361 630 HH22 ARG 79 HH22 ARG 79 4.644 -20.633 -1.968 631 HA PRO 80 HA PRO 80 -0.961 -15.822 3.203 632 HB2 PRO 80 HB2 PRO 80 -2.303 -13.965 4.723 633 HB3 PRO 80 HB3 PRO 80 -2.917 -15.607 4.450 634 HG2 PRO 80 HG2 PRO 80 -1.471 -14.519 6.838 635 HG3 PRO 80 HG3 PRO 80 -2.895 -15.582 6.770 636 HD2 PRO 80 HD2 PRO 80 -0.372 -16.540 7.225 637 HD3 PRO 80 HD3 PRO 80 -1.626 -17.491 6.399 638 H TRP 81 H TRP 81 0.325 -14.491 2.101 639 HA TRP 81 HA TRP 81 2.450 -12.985 3.242 640 HB2 TRP 81 HB2 TRP 81 2.629 -13.854 0.938 641 HB3 TRP 81 HB3 TRP 81 1.262 -12.872 0.424 642 HD1 TRP 81 HD1 TRP 81 5.006 -12.575 1.283 643 HE1 TRP 81 HE1 TRP 81 5.850 -10.256 0.573 644 HE3 TRP 81 HE3 TRP 81 0.549 -10.460 -0.059 645 HZ2 TRP 81 HZ2 TRP 81 4.775 -7.854 -0.440 646 HZ3 TRP 81 HZ3 TRP 81 0.540 -8.157 -0.898 647 HH2 TRP 81 HH2 TRP 81 2.606 -6.877 -1.082 648 H LYS 82 H LYS 82 2.229 -11.099 4.291 649 HA LYS 82 HA LYS 82 0.207 -9.140 3.393 650 HB2 LYS 82 HB2 LYS 82 -0.433 -10.235 5.512 651 HB3 LYS 82 HB3 LYS 82 1.095 -9.752 6.239 652 HG2 LYS 82 HG2 LYS 82 0.456 -7.402 6.143 653 HG3 LYS 82 HG3 LYS 82 -1.012 -7.804 5.240 654 HD2 LYS 82 HD2 LYS 82 -1.503 -7.387 7.631 655 HD3 LYS 82 HD3 LYS 82 -1.896 -9.044 7.167 656 HE2 LYS 82 HE2 LYS 82 0.309 -9.772 8.147 657 HE3 LYS 82 HE3 LYS 82 0.555 -8.116 8.706 658 HZ1 LYS 82 HZ1 LYS 82 -0.350 -9.463 10.470 659 HZ2 LYS 82 HZ2 LYS 82 -1.661 -9.930 9.513 660 HZ3 LYS 82 HZ3 LYS 82 -1.504 -8.318 9.999 661 H ALA 83 H ALA 83 0.794 -6.967 3.466 662 HA ALA 83 HA ALA 83 3.534 -6.225 4.179 663 HB1 ALA 83 HB1 ALA 83 3.961 -5.126 2.011 664 HB2 ALA 83 HB2 ALA 83 2.442 -5.766 1.373 665 HB3 ALA 83 HB3 ALA 83 3.750 -6.865 1.812 666 H TYR 84 H TYR 84 3.703 -4.127 4.730 667 HA TYR 84 HA TYR 84 1.301 -2.404 4.649 668 HB2 TYR 84 HB2 TYR 84 3.607 -2.495 6.662 669 HB3 TYR 84 HB3 TYR 84 2.316 -1.291 6.671 670 HD1 TYR 84 HD1 TYR 84 0.029 -1.912 7.333 671 HD2 TYR 84 HD2 TYR 84 3.133 -4.838 7.366 672 HE1 TYR 84 HE1 TYR 84 -1.407 -3.399 8.633 673 HE2 TYR 84 HE2 TYR 84 1.692 -6.339 8.683 674 HH TYR 84 HH TYR 84 -1.647 -5.771 9.101 675 H LEU 85 H LEU 85 1.486 -0.733 3.308 676 HA LEU 85 HA LEU 85 4.150 0.254 2.461 677 HB2 LEU 85 HB2 LEU 85 1.601 0.130 0.784 678 HB3 LEU 85 HB3 LEU 85 3.192 0.637 0.239 679 HG LEU 85 HG LEU 85 2.345 -2.187 0.987 680 HD11 LEU 85 HD11 LEU 85 2.776 -2.706 -1.377 681 HD12 LEU 85 HD12 LEU 85 3.154 -1.010 -1.692 682 HD13 LEU 85 HD13 LEU 85 1.524 -1.478 -1.198 683 HD21 LEU 85 HD21 LEU 85 4.633 -2.877 0.287 684 HD22 LEU 85 HD22 LEU 85 4.616 -1.894 1.747 685 HD23 LEU 85 HD23 LEU 85 5.096 -1.172 0.210 686 H SER 86 H SER 86 4.364 2.477 2.317 687 HA SER 86 HA SER 86 2.086 4.162 3.170 688 HB2 SER 86 HB2 SER 86 3.548 3.753 5.155 689 HB3 SER 86 HB3 SER 86 4.923 4.419 4.275 690 HG SER 86 HG SER 86 3.937 6.410 4.265 691 H ALA 87 H ALA 87 2.138 6.256 2.380 692 HA ALA 87 HA ALA 87 4.426 7.283 0.918 693 HB1 ALA 87 HB1 ALA 87 3.162 7.703 -1.166 694 HB2 ALA 87 HB2 ALA 87 1.767 6.844 -0.504 695 HB3 ALA 87 HB3 ALA 87 3.267 5.974 -0.829 696 H GLN 88 H GLN 88 3.987 9.509 0.191 697 HA GLN 88 HA GLN 88 1.661 10.892 1.352 698 HB2 GLN 88 HB2 GLN 88 4.552 11.888 1.546 699 HB3 GLN 88 HB3 GLN 88 3.122 12.820 1.982 700 HG2 GLN 88 HG2 GLN 88 2.638 11.289 3.811 701 HG3 GLN 88 HG3 GLN 88 3.990 10.263 3.337 702 HE21 GLN 88 HE21 GLN 88 3.113 13.364 4.716 703 HE22 GLN 88 HE22 GLN 88 4.643 13.678 5.449 704 H ASP 89 H ASP 89 0.849 12.458 -0.137 705 HA ASP 89 HA ASP 89 2.524 12.893 -2.548 706 HB2 ASP 89 HB2 ASP 89 0.612 13.137 -3.829 707 HB3 ASP 89 HB3 ASP 89 -0.030 12.070 -2.590 708 H ASP 90 H ASP 90 2.131 15.163 -3.524 709 HA ASP 90 HA ASP 90 3.334 17.102 -1.963 710 HB2 ASP 90 HB2 ASP 90 3.386 17.160 -4.382 711 HB3 ASP 90 HB3 ASP 90 1.660 17.422 -4.469 712 H THR 91 H THR 91 -0.209 16.552 -2.119 713 HA THR 91 HA THR 91 -0.779 19.082 -0.700 714 HB THR 91 HB THR 91 -3.188 18.295 -0.584 715 HG1 THR 91 HG1 THR 91 -2.070 16.044 -1.737 716 HG21 THR 91 HG21 THR 91 -2.450 19.824 -2.378 717 HG22 THR 91 HG22 THR 91 -3.694 18.712 -2.951 718 HG23 THR 91 HG23 THR 91 -2.008 18.441 -3.381 719 H GLY 92 H GLY 92 0.353 16.091 0.171 720 HA2 GLY 92 HA2 GLY 92 1.208 15.675 2.260 721 HA3 GLY 92 HA3 GLY 92 0.156 16.901 2.947 722 H CYS 93 H CYS 93 -1.383 14.540 0.898 723 HA CYS 93 HA CYS 93 -2.901 13.391 3.016 724 HB2 CYS 93 HB2 CYS 93 -2.407 12.204 0.252 725 HB3 CYS 93 HB3 CYS 93 -3.722 11.797 1.352 726 HG CYS 93 HG CYS 93 -3.355 14.443 -0.682 727 H LEU 94 H LEU 94 -2.217 11.919 4.473 728 HA LEU 94 HA LEU 94 0.268 10.436 4.083 729 HB2 LEU 94 HB2 LEU 94 -0.597 11.642 6.262 730 HB3 LEU 94 HB3 LEU 94 -1.601 10.230 6.481 731 HG LEU 94 HG LEU 94 0.420 10.121 7.881 732 HD11 LEU 94 HD11 LEU 94 1.204 7.912 7.371 733 HD12 LEU 94 HD12 LEU 94 0.622 8.031 5.710 734 HD13 LEU 94 HD13 LEU 94 -0.526 8.001 7.048 735 HD21 LEU 94 HD21 LEU 94 1.897 11.495 6.509 736 HD22 LEU 94 HD22 LEU 94 2.003 10.211 5.299 737 HD23 LEU 94 HD23 LEU 94 2.665 9.961 6.920 738 H PHE 95 H PHE 95 0.143 8.555 2.989 739 HA PHE 95 HA PHE 95 -2.416 7.132 2.667 740 HB2 PHE 95 HB2 PHE 95 0.187 6.934 1.074 741 HB3 PHE 95 HB3 PHE 95 -1.271 6.007 0.737 742 HD1 PHE 95 HD1 PHE 95 -3.337 7.176 -0.078 743 HD2 PHE 95 HD2 PHE 95 0.404 9.218 0.331 744 HE1 PHE 95 HE1 PHE 95 -4.151 8.977 -1.545 745 HE2 PHE 95 HE2 PHE 95 -0.422 11.005 -1.136 746 HZ PHE 95 HZ PHE 95 -2.694 10.889 -2.070 747 H LEU 96 H LEU 96 -2.708 5.382 3.837 748 HA LEU 96 HA LEU 96 -0.465 3.641 4.661 749 HB2 LEU 96 HB2 LEU 96 -3.221 3.968 5.907 750 HB3 LEU 96 HB3 LEU 96 -1.916 2.978 6.536 751 HG LEU 96 HG LEU 96 -1.760 6.012 6.342 752 HD11 LEU 96 HD11 LEU 96 -2.281 6.082 8.724 753 HD12 LEU 96 HD12 LEU 96 -2.549 4.339 8.735 754 HD13 LEU 96 HD13 LEU 96 -3.612 5.391 7.800 755 HD21 LEU 96 HD21 LEU 96 -0.082 4.030 7.910 756 HD22 LEU 96 HD22 LEU 96 0.067 5.791 7.966 757 HD23 LEU 96 HD23 LEU 96 0.422 4.925 6.474 758 H THR 97 H THR 97 -0.480 1.726 3.581 759 HA THR 97 HA THR 97 -3.024 0.575 2.565 760 HB THR 97 HB THR 97 -0.309 0.534 1.149 761 HG1 THR 97 HG1 THR 97 -1.588 2.569 1.224 762 HG21 THR 97 HG21 THR 97 -1.671 -1.482 0.601 763 HG22 THR 97 HG22 THR 97 -1.522 -0.405 -0.788 764 HG23 THR 97 HG23 THR 97 -3.021 -0.438 0.140 765 H GLU 98 H GLU 98 -3.272 -1.623 2.788 766 HA GLU 98 HA GLU 98 -1.034 -3.310 3.711 767 HB2 GLU 98 HB2 GLU 98 -2.455 -2.830 5.690 768 HB3 GLU 98 HB3 GLU 98 -3.872 -3.412 4.830 769 HG2 GLU 98 HG2 GLU 98 -2.657 -5.674 4.648 770 HG3 GLU 98 HG3 GLU 98 -1.499 -5.032 5.813 771 H LEU 99 H LEU 99 -0.826 -5.044 2.466 772 HA LEU 99 HA LEU 99 -2.998 -5.923 0.656 773 HB2 LEU 99 HB2 LEU 99 0.004 -6.427 0.415 774 HB3 LEU 99 HB3 LEU 99 -1.219 -6.805 -0.787 775 HG LEU 99 HG LEU 99 -0.344 -4.003 0.033 776 HD11 LEU 99 HD11 LEU 99 0.644 -3.852 -2.212 777 HD12 LEU 99 HD12 LEU 99 0.211 -5.535 -2.528 778 HD13 LEU 99 HD13 LEU 99 1.379 -5.143 -1.263 779 HD21 LEU 99 HD21 LEU 99 -2.700 -4.004 -0.583 780 HD22 LEU 99 HD22 LEU 99 -2.334 -4.836 -2.096 781 HD23 LEU 99 HD23 LEU 99 -1.739 -3.197 -1.821 782 H LEU 100 H LEU 100 -3.720 -8.047 0.919 783 HA LEU 100 HA LEU 100 -2.200 -9.898 2.679 784 HB2 LEU 100 HB2 LEU 100 -4.076 -8.727 3.925 785 HB3 LEU 100 HB3 LEU 100 -5.226 -9.447 2.826 786 HG LEU 100 HG LEU 100 -5.044 -10.527 5.129 787 HD11 LEU 100 HD11 LEU 100 -6.102 -11.755 3.297 788 HD12 LEU 100 HD12 LEU 100 -5.248 -12.839 4.391 789 HD13 LEU 100 HD13 LEU 100 -4.542 -12.431 2.824 790 HD21 LEU 100 HD21 LEU 100 -2.369 -11.543 4.113 791 HD22 LEU 100 HD22 LEU 100 -3.179 -12.061 5.595 792 HD23 LEU 100 HD23 LEU 100 -2.624 -10.396 5.431 793 H LEU 101 H LEU 101 -1.858 -11.762 1.649 794 HA LEU 101 HA LEU 101 -3.504 -12.575 -0.672 795 HB2 LEU 101 HB2 LEU 101 -1.370 -11.622 -1.433 796 HB3 LEU 101 HB3 LEU 101 -0.474 -12.642 -0.321 797 HG LEU 101 HG LEU 101 -1.189 -14.661 -1.626 798 HD11 LEU 101 HD11 LEU 101 -2.353 -12.700 -3.611 799 HD12 LEU 101 HD12 LEU 101 -3.272 -13.807 -2.586 800 HD13 LEU 101 HD13 LEU 101 -2.192 -14.446 -3.821 801 HD21 LEU 101 HD21 LEU 101 0.966 -13.592 -2.060 802 HD22 LEU 101 HD22 LEU 101 0.223 -12.556 -3.282 803 HD23 LEU 101 HD23 LEU 101 0.292 -14.306 -3.524 804 H GLU 102 H GLU 102 -4.406 -14.515 -0.311 805 HA GLU 102 HA GLU 102 -4.052 -15.806 2.214 806 HB2 GLU 102 HB2 GLU 102 -5.759 -16.595 -0.173 807 HB3 GLU 102 HB3 GLU 102 -5.906 -17.276 1.445 808 HG2 GLU 102 HG2 GLU 102 -6.603 -15.111 2.338 809 HG3 GLU 102 HG3 GLU 102 -6.342 -14.352 0.766 810 HA PRO 103 HA PRO 103 -1.491 -19.438 1.112 811 HB2 PRO 103 HB2 PRO 103 -3.095 -20.980 3.119 812 HB3 PRO 103 HB3 PRO 103 -1.358 -20.608 3.116 813 HG2 PRO 103 HG2 PRO 103 -3.027 -19.432 4.849 814 HG3 PRO 103 HG3 PRO 103 -1.653 -18.546 4.143 815 HD2 PRO 103 HD2 PRO 103 -4.566 -18.459 3.343 816 HD3 PRO 103 HD3 PRO 103 -3.422 -17.116 3.577 817 H GLY 104 H GLY 104 -1.892 -20.458 -0.779 818 HA2 GLY 104 HA2 GLY 104 -2.702 -22.182 -2.118 819 HA3 GLY 104 HA3 GLY 104 -4.048 -22.426 -1.014 820 H ASN 105 H ASN 105 -5.470 -20.290 -0.894 821 HA ASN 105 HA ASN 105 -6.607 -19.790 -3.474 822 HB2 ASN 105 HB2 ASN 105 -7.121 -18.341 -0.832 823 HB3 ASN 105 HB3 ASN 105 -8.139 -18.258 -2.270 824 HD21 ASN 105 HD21 ASN 105 -9.472 -20.053 -2.777 825 HD22 ASN 105 HD22 ASN 105 -9.780 -21.315 -1.638 826 H SER 106 H SER 106 -5.238 -18.725 -4.856 827 HA SER 106 HA SER 106 -3.553 -16.529 -4.059 828 HB2 SER 106 HB2 SER 106 -3.016 -16.383 -6.509 829 HB3 SER 106 HB3 SER 106 -2.784 -18.003 -5.850 830 HG SER 106 HG SER 106 -4.834 -17.038 -7.538 831 H GLU 107 H GLU 107 -5.195 -15.163 -3.112 832 HA GLU 107 HA GLU 107 -6.204 -13.221 -5.057 833 HB2 GLU 107 HB2 GLU 107 -8.081 -14.791 -4.554 834 HB3 GLU 107 HB3 GLU 107 -7.922 -14.438 -2.836 835 HG2 GLU 107 HG2 GLU 107 -8.632 -12.170 -3.150 836 HG3 GLU 107 HG3 GLU 107 -8.534 -12.306 -4.904 837 H MET 108 H MET 108 -6.145 -11.109 -4.235 838 HA MET 108 HA MET 108 -4.771 -10.765 -1.630 839 HB2 MET 108 HB2 MET 108 -3.251 -10.418 -3.558 840 HB3 MET 108 HB3 MET 108 -4.335 -9.196 -4.210 841 HG2 MET 108 HG2 MET 108 -3.917 -7.778 -2.226 842 HG3 MET 108 HG3 MET 108 -2.821 -9.005 -1.585 843 HE1 MET 108 HE1 MET 108 -1.360 -9.957 -4.345 844 HE2 MET 108 HE2 MET 108 -0.507 -9.694 -2.821 845 HE3 MET 108 HE3 MET 108 0.059 -8.913 -4.296 846 H GLN 109 H GLN 109 -5.626 -9.266 -0.262 847 HA GLN 109 HA GLN 109 -7.869 -7.572 -1.095 848 HB2 GLN 109 HB2 GLN 109 -6.772 -8.247 1.680 849 HB3 GLN 109 HB3 GLN 109 -8.106 -7.136 1.383 850 HG2 GLN 109 HG2 GLN 109 -9.394 -9.013 0.387 851 HG3 GLN 109 HG3 GLN 109 -8.076 -10.104 0.803 852 HE21 GLN 109 HE21 GLN 109 -7.516 -8.853 3.404 853 HE22 GLN 109 HE22 GLN 109 -8.826 -9.298 4.438 854 H ILE 110 H ILE 110 -7.341 -5.581 -1.661 855 HA ILE 110 HA ILE 110 -4.899 -4.233 -0.702 856 HB ILE 110 HB ILE 110 -6.799 -3.453 -2.994 857 HG12 ILE 110 HG12 ILE 110 -4.713 -3.899 -4.478 858 HG13 ILE 110 HG13 ILE 110 -4.035 -4.748 -3.098 859 HG21 ILE 110 HG21 ILE 110 -5.138 -1.701 -3.571 860 HG22 ILE 110 HG22 ILE 110 -4.189 -2.135 -2.151 861 HG23 ILE 110 HG23 ILE 110 -5.806 -1.458 -1.954 862 HD11 ILE 110 HD11 ILE 110 -6.570 -5.494 -4.564 863 HD12 ILE 110 HD12 ILE 110 -5.874 -6.365 -3.196 864 HD13 ILE 110 HD13 ILE 110 -4.999 -6.281 -4.724 865 H SER 111 H SER 111 -5.327 -3.093 1.118 866 HA SER 111 HA SER 111 -7.928 -1.687 1.403 867 HB2 SER 111 HB2 SER 111 -7.610 -2.012 3.908 868 HB3 SER 111 HB3 SER 111 -7.882 -3.506 3.015 869 HG SER 111 HG SER 111 -5.236 -2.838 3.247 870 H VAL 112 H VAL 112 -7.528 0.349 0.983 871 HA VAL 112 HA VAL 112 -5.028 1.651 1.878 872 HB VAL 112 HB VAL 112 -6.956 2.633 -0.291 873 HG11 VAL 112 HG11 VAL 112 -4.130 3.541 0.386 874 HG12 VAL 112 HG12 VAL 112 -5.618 4.429 0.725 875 HG13 VAL 112 HG13 VAL 112 -5.122 4.147 -0.944 876 HG21 VAL 112 HG21 VAL 112 -5.964 0.510 -1.016 877 HG22 VAL 112 HG22 VAL 112 -4.344 1.128 -0.684 878 HG23 VAL 112 HG23 VAL 112 -5.321 1.854 -1.964 879 H LYS 113 H LYS 113 -5.181 3.486 3.067 880 HA LYS 113 HA LYS 113 -7.679 4.930 3.401 881 HB2 LYS 113 HB2 LYS 113 -7.508 5.029 5.868 882 HB3 LYS 113 HB3 LYS 113 -7.779 3.388 5.299 883 HG2 LYS 113 HG2 LYS 113 -5.358 2.901 5.612 884 HG3 LYS 113 HG3 LYS 113 -5.139 4.536 6.244 885 HD2 LYS 113 HD2 LYS 113 -5.318 2.927 8.090 886 HD3 LYS 113 HD3 LYS 113 -6.695 4.028 8.110 887 HE2 LYS 113 HE2 LYS 113 -8.117 2.310 7.102 888 HE3 LYS 113 HE3 LYS 113 -6.737 1.217 6.956 889 HZ1 LYS 113 HZ1 LYS 113 -6.601 1.019 9.305 890 HZ2 LYS 113 HZ2 LYS 113 -8.229 0.809 8.911 891 HZ3 LYS 113 HZ3 LYS 113 -7.701 2.273 9.565 892 H GLN 114 H GLN 114 -7.236 7.081 4.466 893 HA GLN 114 HA GLN 114 -4.473 7.946 4.463 894 HB2 GLN 114 HB2 GLN 114 -4.803 9.763 2.810 895 HB3 GLN 114 HB3 GLN 114 -4.939 8.163 2.095 896 HG2 GLN 114 HG2 GLN 114 -7.384 8.365 2.050 897 HG3 GLN 114 HG3 GLN 114 -7.280 9.949 2.819 898 HE21 GLN 114 HE21 GLN 114 -8.475 9.344 0.267 899 HE22 GLN 114 HE22 GLN 114 -7.608 10.250 -0.923 900 H ASN 115 H ASN 115 -4.160 10.049 5.285 901 HA ASN 115 HA ASN 115 -5.789 10.448 7.627 902 HB2 ASN 115 HB2 ASN 115 -3.359 10.535 7.735 903 HB3 ASN 115 HB3 ASN 115 -3.304 11.854 6.589 904 HD21 ASN 115 HD21 ASN 115 -2.271 11.547 9.330 905 HD22 ASN 115 HD22 ASN 115 -2.851 12.926 10.182 906 H GLU 116 H GLU 116 -4.751 12.773 5.083 907 HA GLU 116 HA GLU 116 -7.344 14.182 5.344 908 HB2 GLU 116 HB2 GLU 116 -4.860 14.898 3.722 909 HB3 GLU 116 HB3 GLU 116 -6.325 15.872 3.824 910 HG2 GLU 116 HG2 GLU 116 -5.949 16.209 6.225 911 HG3 GLU 116 HG3 GLU 116 -4.488 15.224 6.144 912 H ALA 117 H ALA 117 -8.849 13.075 4.237 913 HA ALA 117 HA ALA 117 -8.309 11.503 1.908 914 HB1 ALA 117 HB1 ALA 117 -10.946 12.284 3.197 915 HB2 ALA 117 HB2 ALA 117 -9.997 10.844 3.561 916 HB3 ALA 117 HB3 ALA 117 -10.731 11.031 1.968 917 H ARG 118 H ARG 118 -7.827 12.570 -0.005 918 HA ARG 118 HA ARG 118 -9.997 14.315 -1.032 919 HB2 ARG 118 HB2 ARG 118 -7.164 13.922 -2.102 920 HB3 ARG 118 HB3 ARG 118 -8.430 14.752 -2.988 921 HG2 ARG 118 HG2 ARG 118 -7.095 16.461 -2.051 922 HG3 ARG 118 HG3 ARG 118 -8.547 16.412 -1.059 923 HD2 ARG 118 HD2 ARG 118 -7.325 15.220 0.716 924 HD3 ARG 118 HD3 ARG 118 -5.886 15.142 -0.306 925 HE ARG 118 HE ARG 118 -6.875 17.814 0.194 926 HH11 ARG 118 HH11 ARG 118 -4.650 15.342 1.391 927 HH12 ARG 118 HH12 ARG 118 -3.672 16.488 2.253 928 HH21 ARG 118 HH21 ARG 118 -5.540 19.275 1.294 929 HH22 ARG 118 HH22 ARG 118 -4.173 18.693 2.196 930 H THR 119 H THR 119 -11.274 13.486 -2.640 931 HA THR 119 HA THR 119 -11.415 10.765 -3.288 932 HB THR 119 HB THR 119 -12.450 13.194 -4.822 933 HG1 THR 119 HG1 THR 119 -13.605 11.540 -2.804 934 HG21 THR 119 HG21 THR 119 -14.137 11.691 -5.818 935 HG22 THR 119 HG22 THR 119 -13.368 10.301 -5.051 936 HG23 THR 119 HG23 THR 119 -12.507 11.208 -6.296 937 H GLU 120 H GLU 120 -9.906 13.496 -4.931 938 HA GLU 120 HA GLU 120 -9.015 12.310 -7.286 939 HB2 GLU 120 HB2 GLU 120 -9.111 14.769 -6.771 940 HB3 GLU 120 HB3 GLU 120 -7.721 14.577 -5.710 941 HG2 GLU 120 HG2 GLU 120 -6.962 15.493 -7.791 942 HG3 GLU 120 HG3 GLU 120 -6.375 13.836 -7.686 943 H THR 121 H THR 121 -7.269 12.770 -4.176 944 HA THR 121 HA THR 121 -4.796 11.692 -5.023 945 HB THR 121 HB THR 121 -4.257 11.489 -2.554 946 HG1 THR 121 HG1 THR 121 -5.744 12.004 -1.049 947 HG21 THR 121 HG21 THR 121 -4.297 13.906 -2.087 948 HG22 THR 121 HG22 THR 121 -5.432 14.149 -3.415 949 HG23 THR 121 HG23 THR 121 -3.792 13.585 -3.745 950 H LEU 122 H LEU 122 -7.568 10.243 -3.306 951 HA LEU 122 HA LEU 122 -6.439 7.745 -2.749 952 HB2 LEU 122 HB2 LEU 122 -8.556 8.629 -1.726 953 HB3 LEU 122 HB3 LEU 122 -9.376 8.361 -3.257 954 HG LEU 122 HG LEU 122 -8.888 5.900 -3.046 955 HD11 LEU 122 HD11 LEU 122 -8.179 4.963 -0.901 956 HD12 LEU 122 HD12 LEU 122 -7.877 6.588 -0.277 957 HD13 LEU 122 HD13 LEU 122 -6.923 5.965 -1.627 958 HD21 LEU 122 HD21 LEU 122 -11.067 6.794 -2.358 959 HD22 LEU 122 HD22 LEU 122 -10.459 7.030 -0.718 960 HD23 LEU 122 HD23 LEU 122 -10.592 5.403 -1.387 961 H ASN 123 H ASN 123 -8.552 8.758 -5.488 962 HA ASN 123 HA ASN 123 -8.766 6.264 -6.782 963 HB2 ASN 123 HB2 ASN 123 -8.984 9.109 -7.870 964 HB3 ASN 123 HB3 ASN 123 -9.373 7.683 -8.831 965 HD21 ASN 123 HD21 ASN 123 -11.071 9.898 -8.015 966 HD22 ASN 123 HD22 ASN 123 -12.397 9.199 -7.158 967 H SER 124 H SER 124 -6.514 8.949 -7.241 968 HA SER 124 HA SER 124 -5.095 7.937 -9.457 969 HB2 SER 124 HB2 SER 124 -5.098 10.328 -8.730 970 HB3 SER 124 HB3 SER 124 -4.121 9.881 -7.328 971 HG SER 124 HG SER 124 -3.400 10.163 -9.984 972 H PHE 125 H PHE 125 -4.669 7.591 -5.968 973 HA PHE 125 HA PHE 125 -2.104 6.373 -6.002 974 HB2 PHE 125 HB2 PHE 125 -3.111 7.532 -4.021 975 HB3 PHE 125 HB3 PHE 125 -4.257 6.207 -3.845 976 HD1 PHE 125 HD2 PHE 125 -0.614 7.041 -3.784 977 HD2 PHE 125 HD1 PHE 125 -3.636 4.246 -2.613 978 HE1 PHE 125 HE2 PHE 125 1.017 5.845 -2.390 979 HE2 PHE 125 HE1 PHE 125 -1.993 3.060 -1.228 980 HZ PHE 125 HZ PHE 125 0.335 3.854 -1.113 981 H ILE 126 H ILE 126 -5.413 5.106 -5.981 982 HA ILE 126 HA ILE 126 -4.820 2.347 -5.648 983 HB ILE 126 HB ILE 126 -7.277 3.610 -6.962 984 HG12 ILE 126 HG12 ILE 126 -7.107 2.679 -4.065 985 HG13 ILE 126 HG13 ILE 126 -6.732 4.331 -4.532 986 HG21 ILE 126 HG21 ILE 126 -8.460 1.512 -6.362 987 HG22 ILE 126 HG22 ILE 126 -6.945 0.831 -5.770 988 HG23 ILE 126 HG23 ILE 126 -7.126 1.214 -7.482 989 HD11 ILE 126 HD11 ILE 126 -9.378 2.959 -4.994 990 HD12 ILE 126 HD12 ILE 126 -8.977 4.634 -5.388 991 HD13 ILE 126 HD13 ILE 126 -9.006 4.108 -3.708 992 H SER 127 H SER 127 -5.299 4.411 -8.545 993 HA SER 127 HA SER 127 -5.079 2.298 -10.443 994 HB2 SER 127 HB2 SER 127 -4.730 4.210 -12.105 995 HB3 SER 127 HB3 SER 127 -6.217 4.260 -11.162 996 HG SER 127 HG SER 127 -5.580 6.017 -10.206 997 H VAL 128 H VAL 128 -2.644 4.447 -8.944 998 HA VAL 128 HA VAL 128 -0.399 3.542 -10.421 999 HB VAL 128 HB VAL 128 -0.596 4.633 -7.573 1000 HG11 VAL 128 HG11 VAL 128 1.413 3.218 -7.636 1001 HG12 VAL 128 HG12 VAL 128 1.875 4.920 -7.598 1002 HG13 VAL 128 HG13 VAL 128 1.959 4.020 -9.113 1003 HG21 VAL 128 HG21 VAL 128 0.406 5.883 -10.160 1004 HG22 VAL 128 HG22 VAL 128 0.401 6.673 -8.581 1005 HG23 VAL 128 HG23 VAL 128 -1.125 6.241 -9.355 1006 H LEU 129 H LEU 129 -1.875 2.322 -7.370 1007 HA LEU 129 HA LEU 129 -0.325 0.041 -7.008 1008 HB2 LEU 129 HB2 LEU 129 -3.277 0.407 -6.363 1009 HB3 LEU 129 HB3 LEU 129 -2.285 -0.911 -5.759 1010 HG LEU 129 HG LEU 129 -1.891 2.037 -5.103 1011 HD11 LEU 129 HD11 LEU 129 -2.956 -0.202 -3.358 1012 HD12 LEU 129 HD12 LEU 129 -3.898 1.119 -4.055 1013 HD13 LEU 129 HD13 LEU 129 -2.658 1.467 -2.855 1014 HD21 LEU 129 HD21 LEU 129 -0.230 1.293 -3.452 1015 HD22 LEU 129 HD22 LEU 129 0.260 0.872 -5.089 1016 HD23 LEU 129 HD23 LEU 129 -0.392 -0.372 -4.020 1017 H GLU 130 H GLU 130 -3.185 0.455 -9.143 1018 HA GLU 130 HA GLU 130 -3.536 -2.255 -9.872 1019 HB2 GLU 130 HB2 GLU 130 -4.158 0.249 -11.498 1020 HB3 GLU 130 HB3 GLU 130 -4.713 -1.369 -11.913 1021 HG2 GLU 130 HG2 GLU 130 -5.450 0.184 -9.424 1022 HG3 GLU 130 HG3 GLU 130 -6.481 -0.068 -10.829 1023 H THR 131 H THR 131 -1.527 0.310 -11.306 1024 HA THR 131 HA THR 131 -0.488 -1.196 -13.464 1025 HB THR 131 HB THR 131 0.868 1.142 -12.045 1026 HG1 THR 131 HG1 THR 131 -0.328 2.451 -13.435 1027 HG21 THR 131 HG21 THR 131 1.885 1.606 -14.240 1028 HG22 THR 131 HG22 THR 131 1.066 0.211 -14.943 1029 HG23 THR 131 HG23 THR 131 2.307 -0.029 -13.712 1030 H VAL 132 H VAL 132 0.919 -0.407 -10.234 1031 HA VAL 132 HA VAL 132 3.394 -1.718 -10.591 1032 HB VAL 132 HB VAL 132 1.970 -1.020 -7.968 1033 HG11 VAL 132 HG11 VAL 132 4.893 -1.752 -8.406 1034 HG12 VAL 132 HG12 VAL 132 3.694 -2.733 -7.561 1035 HG13 VAL 132 HG13 VAL 132 4.196 -1.182 -6.887 1036 HG21 VAL 132 HG21 VAL 132 4.124 0.507 -9.481 1037 HG22 VAL 132 HG22 VAL 132 3.438 0.968 -7.921 1038 HG23 VAL 132 HG23 VAL 132 2.423 0.960 -9.364 1039 H ILE 133 H ILE 133 0.525 -2.740 -8.711 1040 HA ILE 133 HA ILE 133 1.482 -5.307 -7.977 1041 HB ILE 133 HB ILE 133 -1.365 -4.185 -8.019 1042 HG12 ILE 133 HG12 ILE 133 0.604 -4.418 -5.687 1043 HG13 ILE 133 HG13 ILE 133 0.221 -2.931 -6.545 1044 HG21 ILE 133 HG21 ILE 133 -1.990 -5.956 -6.419 1045 HG22 ILE 133 HG22 ILE 133 -0.387 -6.673 -6.586 1046 HG23 ILE 133 HG23 ILE 133 -1.480 -6.630 -7.969 1047 HD11 ILE 133 HD11 ILE 133 -1.697 -4.558 -4.874 1048 HD12 ILE 133 HD12 ILE 133 -2.102 -3.085 -5.767 1049 HD13 ILE 133 HD13 ILE 133 -0.947 -3.022 -4.436 1050 H GLY 134 H GLY 134 -0.469 -4.127 -10.679 1051 HA2 GLY 134 HA2 GLY 134 -1.160 -6.565 -11.944 1052 HA3 GLY 134 HA3 GLY 134 -0.941 -5.025 -12.761 1053 H THR 135 H THR 135 1.792 -4.619 -12.095 1054 HA THR 135 HA THR 135 3.122 -6.030 -14.181 1055 HB THR 135 HB THR 135 4.291 -4.249 -11.998 1056 HG1 THR 135 HG1 THR 135 2.602 -3.556 -13.754 1057 HG21 THR 135 HG21 THR 135 6.068 -5.564 -13.153 1058 HG22 THR 135 HG22 THR 135 6.168 -3.848 -13.545 1059 HG23 THR 135 HG23 THR 135 5.475 -4.974 -14.712 1060 H ILE 136 H ILE 136 2.769 -6.627 -10.761 1061 HA ILE 136 HA ILE 136 5.063 -8.307 -10.399 1062 HB ILE 136 HB ILE 136 2.587 -8.088 -8.632 1063 HG12 ILE 136 HG12 ILE 136 3.316 -5.853 -8.827 1064 HG13 ILE 136 HG13 ILE 136 4.069 -6.388 -7.337 1065 HG21 ILE 136 HG21 ILE 136 3.988 -9.989 -7.999 1066 HG22 ILE 136 HG22 ILE 136 4.078 -8.727 -6.771 1067 HG23 ILE 136 HG23 ILE 136 5.408 -8.943 -7.912 1068 HD11 ILE 136 HD11 ILE 136 5.399 -6.036 -10.027 1069 HD12 ILE 136 HD12 ILE 136 6.196 -6.706 -8.600 1070 HD13 ILE 136 HD13 ILE 136 5.604 -5.047 -8.583 1071 H GLU 137 H GLU 137 2.110 -8.848 -11.948 1072 HA GLU 137 HA GLU 137 2.205 -11.778 -11.670 1073 HB2 GLU 137 HB2 GLU 137 0.367 -10.053 -13.394 1074 HB3 GLU 137 HB3 GLU 137 0.192 -11.774 -13.060 1075 HG2 GLU 137 HG2 GLU 137 -0.111 -11.235 -10.640 1076 HG3 GLU 137 HG3 GLU 137 -0.056 -9.525 -11.050 1077 H GLU 138 H GLU 138 2.148 -9.430 -14.361 1078 HA GLU 138 HA GLU 138 4.442 -10.681 -15.706 1079 HB2 GLU 138 HB2 GLU 138 1.712 -10.277 -17.005 1080 HB3 GLU 138 HB3 GLU 138 3.190 -10.431 -17.949 1081 HG2 GLU 138 HG2 GLU 138 3.557 -12.682 -17.066 1082 HG3 GLU 138 HG3 GLU 138 2.120 -12.544 -16.055 1083 H ILE 139 H ILE 139 5.092 -9.219 -17.649 1084 HA ILE 139 HA ILE 139 5.684 -6.659 -16.643 1085 HB ILE 139 HB ILE 139 6.589 -6.184 -18.994 1086 HG12 ILE 139 HG12 ILE 139 5.776 -9.089 -19.515 1087 HG13 ILE 139 HG13 ILE 139 5.085 -7.676 -20.303 1088 HG21 ILE 139 HG21 ILE 139 7.565 -8.711 -17.618 1089 HG22 ILE 139 HG22 ILE 139 8.009 -7.058 -17.193 1090 HG23 ILE 139 HG23 ILE 139 8.498 -7.725 -18.749 1091 HD11 ILE 139 HD11 ILE 139 6.668 -8.814 -21.756 1092 HD12 ILE 139 HD12 ILE 139 7.952 -8.609 -20.568 1093 HD13 ILE 139 HD13 ILE 139 7.245 -7.197 -21.358 1094 H LYS 140 H LYS 140 3.962 -5.369 -16.171 1095 HA LYS 140 HA LYS 140 2.075 -4.583 -18.331 1096 HB2 LYS 140 HB2 LYS 140 1.573 -4.671 -15.318 1097 HB3 LYS 140 HB3 LYS 140 0.423 -4.084 -16.510 1098 HG2 LYS 140 HG2 LYS 140 1.407 -6.929 -16.158 1099 HG3 LYS 140 HG3 LYS 140 -0.211 -6.313 -15.834 1100 HD2 LYS 140 HD2 LYS 140 1.105 -6.515 -18.566 1101 HD3 LYS 140 HD3 LYS 140 -0.130 -7.599 -17.932 1102 HE2 LYS 140 HE2 LYS 140 -1.772 -5.804 -17.922 1103 HE3 LYS 140 HE3 LYS 140 -0.541 -4.630 -18.399 1104 HZ1 LYS 140 HZ1 LYS 140 -1.879 -5.321 -20.286 1105 HZ2 LYS 140 HZ2 LYS 140 -1.460 -6.936 -20.037 1106 HZ3 LYS 140 HZ3 LYS 140 -0.278 -5.822 -20.494 1107 H SER 141 H SER 141 1.362 -2.432 -18.406 1108 HA SER 141 HA SER 141 2.478 -0.364 -16.719 1109 HB2 SER 141 HB2 SER 141 3.221 -0.496 -19.686 1110 HB3 SER 141 HB3 SER 141 3.437 0.931 -18.672 1111 HG SER 141 HG SER 141 4.606 -0.835 -17.295 Start of MODEL 17 1 H1 MET 1 H1 MET 1 -28.816 50.576 25.902 2 H2 MET 1 H2 MET 1 -27.989 52.043 25.951 3 H3 MET 1 H3 MET 1 -27.146 50.590 26.146 4 HA MET 1 HA MET 1 -28.568 51.471 23.704 5 HB2 MET 1 HB2 MET 1 -26.366 51.713 22.673 6 HB3 MET 1 HB3 MET 1 -26.476 52.731 24.096 7 HG2 MET 1 HG2 MET 1 -25.042 50.074 23.974 8 HG3 MET 1 HG3 MET 1 -24.279 51.659 23.867 9 HE1 MET 1 HE1 MET 1 -22.605 51.077 25.820 10 HE2 MET 1 HE2 MET 1 -23.304 49.463 25.960 11 HE3 MET 1 HE3 MET 1 -23.106 50.468 27.396 12 H GLY 2 H GLY 2 -27.821 50.118 21.782 13 HA2 GLY 2 HA2 GLY 2 -27.084 47.355 22.306 14 HA3 GLY 2 HA3 GLY 2 -28.740 47.595 21.776 15 H HIS 3 H HIS 3 -25.370 48.144 20.897 16 HA HIS 3 HA HIS 3 -25.843 48.587 18.100 17 HB2 HIS 3 HB2 HIS 3 -23.351 47.920 19.709 18 HB3 HIS 3 HB3 HIS 3 -23.304 47.980 17.950 19 HD1 HIS 3 HD1 HIS 3 -23.067 50.230 16.884 20 HD2 HIS 3 HD2 HIS 3 -23.977 50.487 20.928 21 HE1 HIS 3 HE1 HIS 3 -22.886 52.665 17.457 22 HE2 HIS 3 HE2 HIS 3 -23.273 52.766 19.943 23 H HIS 4 H HIS 4 -25.394 47.117 16.385 24 HA HIS 4 HA HIS 4 -26.115 44.328 17.019 25 HB2 HIS 4 HB2 HIS 4 -26.296 45.891 14.398 26 HB3 HIS 4 HB3 HIS 4 -26.781 44.209 14.601 27 HD1 HIS 4 HD1 HIS 4 -28.390 47.214 14.187 28 HD2 HIS 4 HD2 HIS 4 -28.710 44.304 17.134 29 HE1 HIS 4 HE1 HIS 4 -30.652 47.552 15.220 30 HE2 HIS 4 HE2 HIS 4 -30.748 45.885 17.101 31 H HIS 5 H HIS 5 -24.735 42.726 16.690 32 HA HIS 5 HA HIS 5 -22.234 43.181 15.182 33 HB2 HIS 5 HB2 HIS 5 -21.219 41.418 16.567 34 HB3 HIS 5 HB3 HIS 5 -21.852 42.711 17.568 35 HD1 HIS 5 HD1 HIS 5 -23.576 42.086 19.332 36 HD2 HIS 5 HD2 HIS 5 -22.670 38.938 16.790 37 HE1 HIS 5 HE1 HIS 5 -24.643 40.070 20.356 38 HE2 HIS 5 HE2 HIS 5 -24.103 38.177 18.790 39 H HIS 6 H HIS 6 -21.668 41.782 13.585 40 HA HIS 6 HA HIS 6 -23.166 39.315 13.102 41 HB2 HIS 6 HB2 HIS 6 -24.423 41.069 11.840 42 HB3 HIS 6 HB3 HIS 6 -22.953 41.527 10.989 43 HD1 HIS 6 HD1 HIS 6 -25.486 38.709 11.205 44 HD2 HIS 6 HD2 HIS 6 -22.355 39.960 8.772 45 HE1 HIS 6 HE1 HIS 6 -25.613 37.278 9.143 46 HE2 HIS 6 HE2 HIS 6 -23.714 38.050 7.686 47 H HIS 7 H HIS 7 -21.315 38.169 13.511 48 HA HIS 7 HA HIS 7 -19.118 38.361 11.551 49 HB2 HIS 7 HB2 HIS 7 -18.333 39.419 13.657 50 HB3 HIS 7 HB3 HIS 7 -18.772 37.977 14.571 51 HD1 HIS 7 HD1 HIS 7 -17.146 35.995 14.501 52 HD2 HIS 7 HD2 HIS 7 -16.017 39.091 11.963 53 HE1 HIS 7 HE1 HIS 7 -14.829 35.420 13.731 54 HE2 HIS 7 HE2 HIS 7 -14.180 37.284 12.177 55 H HIS 8 H HIS 8 -19.244 36.538 10.460 56 HA HIS 8 HA HIS 8 -19.579 33.926 11.831 57 HB2 HIS 8 HB2 HIS 8 -20.660 34.743 9.086 58 HB3 HIS 8 HB3 HIS 8 -20.677 33.100 9.710 59 HD1 HIS 8 HD1 HIS 8 -22.698 32.421 10.974 60 HD2 HIS 8 HD2 HIS 8 -22.422 36.549 10.579 61 HE1 HIS 8 HE1 HIS 8 -24.894 33.323 11.780 62 HE2 HIS 8 HE2 HIS 8 -24.644 35.821 11.681 63 H SER 9 H SER 9 -18.240 32.228 10.983 64 HA SER 9 HA SER 9 -16.310 32.889 8.868 65 HB2 SER 9 HB2 SER 9 -15.292 33.659 11.046 66 HB3 SER 9 HB3 SER 9 -15.390 32.003 11.652 67 HG SER 9 HG SER 9 -13.905 32.939 9.415 68 H HIS 10 H HIS 10 -17.805 31.300 7.891 69 HA HIS 10 HA HIS 10 -17.429 28.484 8.613 70 HB2 HIS 10 HB2 HIS 10 -19.680 29.231 7.849 71 HB3 HIS 10 HB3 HIS 10 -19.008 29.753 6.307 72 HD1 HIS 10 HD1 HIS 10 -18.135 27.791 4.714 73 HD2 HIS 10 HD2 HIS 10 -20.401 26.548 7.970 74 HE1 HIS 10 HE1 HIS 10 -18.808 25.428 4.196 75 HE2 HIS 10 HE2 HIS 10 -20.062 24.659 6.236 76 H MET 11 H MET 11 -15.243 28.162 8.250 77 HA MET 11 HA MET 11 -13.754 29.119 6.063 78 HB2 MET 11 HB2 MET 11 -12.704 28.433 8.189 79 HB3 MET 11 HB3 MET 11 -13.165 26.758 7.907 80 HG2 MET 11 HG2 MET 11 -11.703 26.680 5.937 81 HG3 MET 11 HG3 MET 11 -11.253 28.365 6.184 82 HE1 MET 11 HE1 MET 11 -11.011 28.344 9.495 83 HE2 MET 11 HE2 MET 11 -9.916 29.198 8.406 84 HE3 MET 11 HE3 MET 11 -9.270 28.090 9.616 85 H GLN 12 H GLN 12 -14.255 28.624 4.025 86 HA GLN 12 HA GLN 12 -14.771 25.856 3.148 87 HB2 GLN 12 HB2 GLN 12 -16.005 28.102 2.323 88 HB3 GLN 12 HB3 GLN 12 -14.630 28.222 1.241 89 HG2 GLN 12 HG2 GLN 12 -16.280 25.696 1.356 90 HG3 GLN 12 HG3 GLN 12 -16.841 27.086 0.438 91 HE21 GLN 12 HE21 GLN 12 -16.790 25.864 -1.448 92 HE22 GLN 12 HE22 GLN 12 -15.320 25.458 -2.252 93 H GLU 13 H GLU 13 -12.813 24.880 3.390 94 HA GLU 13 HA GLU 13 -10.294 26.124 2.751 95 HB2 GLU 13 HB2 GLU 13 -10.483 24.517 4.611 96 HB3 GLU 13 HB3 GLU 13 -11.007 23.248 3.504 97 HG2 GLU 13 HG2 GLU 13 -8.766 23.413 2.364 98 HG3 GLU 13 HG3 GLU 13 -8.265 24.555 3.611 99 H LEU 14 H LEU 14 -9.623 26.344 0.688 100 HA LEU 14 HA LEU 14 -10.287 24.421 -1.390 101 HB2 LEU 14 HB2 LEU 14 -8.623 26.970 -1.450 102 HB3 LEU 14 HB3 LEU 14 -8.802 25.903 -2.831 103 HG LEU 14 HG LEU 14 -11.380 26.290 -2.543 104 HD11 LEU 14 HD11 LEU 14 -11.344 27.386 -0.371 105 HD12 LEU 14 HD12 LEU 14 -12.043 28.437 -1.598 106 HD13 LEU 14 HD13 LEU 14 -10.394 28.719 -1.034 107 HD21 LEU 14 HD21 LEU 14 -10.109 27.054 -4.454 108 HD22 LEU 14 HD22 LEU 14 -9.591 28.497 -3.581 109 HD23 LEU 14 HD23 LEU 14 -11.295 28.273 -3.986 110 HA PRO 15 HA PRO 15 -6.371 22.289 -0.463 111 HB2 PRO 15 HB2 PRO 15 -7.201 19.810 -1.322 112 HB3 PRO 15 HB3 PRO 15 -7.690 20.505 0.232 113 HG2 PRO 15 HG2 PRO 15 -9.315 20.027 -2.145 114 HG3 PRO 15 HG3 PRO 15 -9.837 20.420 -0.498 115 HD2 PRO 15 HD2 PRO 15 -9.534 22.216 -2.812 116 HD3 PRO 15 HD3 PRO 15 -10.351 22.515 -1.261 117 H ASP 16 H ASP 16 -4.565 21.864 -1.690 118 HA ASP 16 HA ASP 16 -4.433 22.448 -4.462 119 HB2 ASP 16 HB2 ASP 16 -2.420 21.039 -2.646 120 HB3 ASP 16 HB3 ASP 16 -2.067 21.543 -4.299 121 H SER 17 H SER 17 -4.270 21.104 -6.259 122 HA SER 17 HA SER 17 -4.597 18.225 -6.060 123 HB2 SER 17 HB2 SER 17 -6.911 19.978 -7.018 124 HB3 SER 17 HB3 SER 17 -6.817 18.230 -7.259 125 HG SER 17 HG SER 17 -6.370 18.573 -4.727 126 H GLY 18 H GLY 18 -5.274 17.416 -8.417 127 HA2 GLY 18 HA2 GLY 18 -5.200 18.309 -10.824 128 HA3 GLY 18 HA3 GLY 18 -3.554 18.786 -10.413 129 H ALA 19 H ALA 19 -1.979 17.204 -10.100 130 HA ALA 19 HA ALA 19 -2.699 14.425 -10.886 131 HB1 ALA 19 HB1 ALA 19 -1.401 15.532 -12.661 132 HB2 ALA 19 HB2 ALA 19 -0.466 14.238 -11.914 133 HB3 ALA 19 HB3 ALA 19 -0.121 15.922 -11.512 134 H LEU 20 H LEU 20 -2.206 12.918 -9.437 135 HA LEU 20 HA LEU 20 -1.241 13.522 -6.833 136 HB2 LEU 20 HB2 LEU 20 -2.881 11.704 -7.316 137 HB3 LEU 20 HB3 LEU 20 -1.654 10.848 -8.230 138 HG LEU 20 HG LEU 20 -0.305 10.785 -5.993 139 HD11 LEU 20 HD11 LEU 20 -3.044 11.365 -4.862 140 HD12 LEU 20 HD12 LEU 20 -1.626 12.413 -4.764 141 HD13 LEU 20 HD13 LEU 20 -1.621 10.850 -3.952 142 HD21 LEU 20 HD21 LEU 20 -1.405 8.732 -5.270 143 HD22 LEU 20 HD22 LEU 20 -1.293 8.795 -7.027 144 HD23 LEU 20 HD23 LEU 20 -2.833 9.130 -6.232 145 H MET 21 H MET 21 0.889 14.230 -6.791 146 HA MET 21 HA MET 21 2.995 12.563 -8.029 147 HB2 MET 21 HB2 MET 21 3.220 15.221 -6.536 148 HB3 MET 21 HB3 MET 21 4.532 14.393 -7.354 149 HG2 MET 21 HG2 MET 21 3.470 14.791 -9.514 150 HG3 MET 21 HG3 MET 21 2.093 15.546 -8.710 151 HE1 MET 21 HE1 MET 21 6.031 15.807 -9.210 152 HE2 MET 21 HE2 MET 21 5.833 16.044 -7.469 153 HE3 MET 21 HE3 MET 21 6.352 17.386 -8.488 154 H LEU 22 H LEU 22 2.991 10.737 -6.678 155 HA LEU 22 HA LEU 22 3.142 10.941 -3.808 156 HB2 LEU 22 HB2 LEU 22 3.693 8.595 -5.688 157 HB3 LEU 22 HB3 LEU 22 3.694 8.469 -3.939 158 HG LEU 22 HG LEU 22 1.257 9.306 -5.547 159 HD11 LEU 22 HD11 LEU 22 1.895 7.020 -6.154 160 HD12 LEU 22 HD12 LEU 22 0.397 7.044 -5.231 161 HD13 LEU 22 HD13 LEU 22 1.903 6.551 -4.450 162 HD21 LEU 22 HD21 LEU 22 0.013 8.824 -3.486 163 HD22 LEU 22 HD22 LEU 22 1.209 10.090 -3.232 164 HD23 LEU 22 HD23 LEU 22 1.522 8.455 -2.645 165 H VAL 23 H VAL 23 4.919 11.241 -2.629 166 HA VAL 23 HA VAL 23 7.599 10.628 -3.756 167 HB VAL 23 HB VAL 23 8.568 12.523 -2.530 168 HG11 VAL 23 HG11 VAL 23 7.810 12.973 -4.825 169 HG12 VAL 23 HG12 VAL 23 7.651 14.418 -3.829 170 HG13 VAL 23 HG13 VAL 23 6.220 13.464 -4.230 171 HG21 VAL 23 HG21 VAL 23 7.022 12.612 -0.621 172 HG22 VAL 23 HG22 VAL 23 5.759 13.272 -1.662 173 HG23 VAL 23 HG23 VAL 23 7.226 14.205 -1.353 174 HA PRO 24 HA PRO 24 7.905 7.884 -0.239 175 HB2 PRO 24 HB2 PRO 24 10.825 8.536 0.003 176 HB3 PRO 24 HB3 PRO 24 10.043 6.987 -0.381 177 HG2 PRO 24 HG2 PRO 24 11.357 8.362 -2.261 178 HG3 PRO 24 HG3 PRO 24 9.870 7.467 -2.656 179 HD2 PRO 24 HD2 PRO 24 10.220 10.426 -2.160 180 HD3 PRO 24 HD3 PRO 24 9.291 9.593 -3.431 181 H ASN 25 H ASN 25 6.980 8.581 1.609 182 HA ASN 25 HA ASN 25 7.525 11.067 2.891 183 HB2 ASN 25 HB2 ASN 25 5.940 10.339 4.610 184 HB3 ASN 25 HB3 ASN 25 5.306 9.944 3.021 185 HD21 ASN 25 HD21 ASN 25 4.763 8.811 5.729 186 HD22 ASN 25 HD22 ASN 25 4.999 7.113 5.558 187 H ARG 26 H ARG 26 7.968 11.078 5.378 188 HA ARG 26 HA ARG 26 10.475 10.070 6.086 189 HB2 ARG 26 HB2 ARG 26 8.136 10.781 7.912 190 HB3 ARG 26 HB3 ARG 26 9.763 10.457 8.495 191 HG2 ARG 26 HG2 ARG 26 8.925 12.751 6.705 192 HG3 ARG 26 HG3 ARG 26 9.328 12.844 8.418 193 HD2 ARG 26 HD2 ARG 26 11.219 12.066 6.192 194 HD3 ARG 26 HD3 ARG 26 11.179 13.621 7.020 195 HE ARG 26 HE ARG 26 11.624 12.091 9.100 196 HH11 ARG 26 HH11 ARG 26 13.078 11.775 5.890 197 HH12 ARG 26 HH12 ARG 26 14.547 11.073 6.497 198 HH21 ARG 26 HH21 ARG 26 13.590 11.207 9.873 199 HH22 ARG 26 HH22 ARG 26 14.835 10.749 8.751 200 H GLN 27 H GLN 27 11.133 8.150 6.876 201 HA GLN 27 HA GLN 27 9.571 5.841 6.550 202 HB2 GLN 27 HB2 GLN 27 11.552 4.712 7.764 203 HB3 GLN 27 HB3 GLN 27 11.861 5.494 6.228 204 HG2 GLN 27 HG2 GLN 27 13.552 6.638 7.184 205 HG3 GLN 27 HG3 GLN 27 12.382 7.479 8.205 206 HE21 GLN 27 HE21 GLN 27 12.134 6.822 10.339 207 HE22 GLN 27 HE22 GLN 27 13.244 5.753 11.123 208 H LEU 28 H LEU 28 7.745 5.758 7.704 209 HA LEU 28 HA LEU 28 7.472 6.592 10.423 210 HB2 LEU 28 HB2 LEU 28 5.566 4.858 8.806 211 HB3 LEU 28 HB3 LEU 28 5.176 5.730 10.275 212 HG LEU 28 HG LEU 28 5.787 6.948 7.556 213 HD11 LEU 28 HD11 LEU 28 3.195 6.844 9.140 214 HD12 LEU 28 HD12 LEU 28 3.572 5.926 7.677 215 HD13 LEU 28 HD13 LEU 28 3.444 7.679 7.603 216 HD21 LEU 28 HD21 LEU 28 6.681 8.410 9.289 217 HD22 LEU 28 HD22 LEU 28 5.140 8.382 10.148 218 HD23 LEU 28 HD23 LEU 28 5.251 9.131 8.553 219 H THR 29 H THR 29 7.653 5.408 12.249 220 HA THR 29 HA THR 29 8.865 2.837 12.286 221 HB THR 29 HB THR 29 8.411 2.917 14.752 222 HG1 THR 29 HG1 THR 29 7.422 5.099 15.372 223 HG21 THR 29 HG21 THR 29 9.401 5.575 13.649 224 HG22 THR 29 HG22 THR 29 10.390 4.133 13.895 225 HG23 THR 29 HG23 THR 29 9.686 4.966 15.281 226 H ALA 30 H ALA 30 7.893 0.813 12.917 227 HA ALA 30 HA ALA 30 5.320 0.194 12.004 228 HB1 ALA 30 HB1 ALA 30 7.056 -1.518 12.351 229 HB2 ALA 30 HB2 ALA 30 5.567 -1.959 13.187 230 HB3 ALA 30 HB3 ALA 30 6.935 -1.314 14.100 231 H ASP 31 H ASP 31 6.402 1.365 15.129 232 HA ASP 31 HA ASP 31 4.028 1.078 16.625 233 HB2 ASP 31 HB2 ASP 31 6.186 3.236 16.826 234 HB3 ASP 31 HB3 ASP 31 4.914 2.991 18.014 235 H TYR 32 H TYR 32 5.188 3.773 14.549 236 HA TYR 32 HA TYR 32 3.034 5.533 15.181 237 HB2 TYR 32 HB2 TYR 32 5.237 6.380 14.304 238 HB3 TYR 32 HB3 TYR 32 4.884 5.648 12.741 239 HD1 TYR 32 HD2 TYR 32 3.854 8.322 15.108 240 HD2 TYR 32 HD1 TYR 32 3.376 6.774 11.158 241 HE1 TYR 32 HE2 TYR 32 2.646 10.350 14.452 242 HE2 TYR 32 HE1 TYR 32 2.166 8.812 10.503 243 HH TYR 32 HH TYR 32 2.084 11.609 12.443 244 H PHE 33 H PHE 33 3.796 3.479 12.355 245 HA PHE 33 HA PHE 33 1.641 3.989 10.720 246 HB2 PHE 33 HB2 PHE 33 3.619 2.578 10.095 247 HB3 PHE 33 HB3 PHE 33 3.016 1.281 11.122 248 HD1 PHE 33 HD1 PHE 33 0.823 0.110 10.470 249 HD2 PHE 33 HD2 PHE 33 2.776 2.872 7.859 250 HE1 PHE 33 HE1 PHE 33 -0.518 -0.721 8.583 251 HE2 PHE 33 HE2 PHE 33 1.436 2.029 5.990 252 HZ PHE 33 HZ PHE 33 -0.217 0.244 6.335 253 H GLU 34 H GLU 34 1.950 1.451 13.209 254 HA GLU 34 HA GLU 34 -0.556 0.247 12.926 255 HB2 GLU 34 HB2 GLU 34 1.386 -0.700 14.232 256 HB3 GLU 34 HB3 GLU 34 1.052 0.464 15.514 257 HG2 GLU 34 HG2 GLU 34 -1.237 -0.553 15.752 258 HG3 GLU 34 HG3 GLU 34 -0.763 -1.786 14.583 259 H LYS 35 H LYS 35 0.408 2.920 15.122 260 HA LYS 35 HA LYS 35 -2.053 3.227 16.484 261 HB2 LYS 35 HB2 LYS 35 0.083 5.318 15.892 262 HB3 LYS 35 HB3 LYS 35 -1.243 5.548 17.029 263 HG2 LYS 35 HG2 LYS 35 -0.390 3.740 18.440 264 HG3 LYS 35 HG3 LYS 35 0.909 3.426 17.284 265 HD2 LYS 35 HD2 LYS 35 1.710 5.805 17.676 266 HD3 LYS 35 HD3 LYS 35 0.513 5.929 18.966 267 HE2 LYS 35 HE2 LYS 35 1.606 4.046 20.146 268 HE3 LYS 35 HE3 LYS 35 2.811 3.955 18.855 269 HZ1 LYS 35 HZ1 LYS 35 3.416 6.285 19.382 270 HZ2 LYS 35 HZ2 LYS 35 3.708 5.220 20.663 271 HZ3 LYS 35 HZ3 LYS 35 2.361 6.241 20.706 272 H THR 36 H THR 36 -0.748 4.922 13.667 273 HA THR 36 HA THR 36 -2.895 6.651 13.129 274 HB THR 36 HB THR 36 -0.815 5.518 11.186 275 HG1 THR 36 HG1 THR 36 0.166 6.564 12.923 276 HG21 THR 36 HG21 THR 36 -1.167 7.596 9.884 277 HG22 THR 36 HG22 THR 36 -2.456 8.085 10.985 278 HG23 THR 36 HG23 THR 36 -2.657 6.656 9.969 279 H TRP 37 H TRP 37 -2.155 3.402 11.948 280 HA TRP 37 HA TRP 37 -4.166 3.021 10.052 281 HB2 TRP 37 HB2 TRP 37 -2.094 1.588 10.451 282 HB3 TRP 37 HB3 TRP 37 -2.888 0.897 11.861 283 HD1 TRP 37 HD1 TRP 37 -4.465 -1.169 11.406 284 HE1 TRP 37 HE1 TRP 37 -5.239 -2.413 9.288 285 HE3 TRP 37 HE3 TRP 37 -2.698 2.067 7.850 286 HZ2 TRP 37 HZ2 TRP 37 -5.100 -2.086 6.500 287 HZ3 TRP 37 HZ3 TRP 37 -3.073 1.526 5.483 288 HH2 TRP 37 HH2 TRP 37 -4.248 -0.506 4.817 289 H LEU 38 H LEU 38 -4.075 2.156 13.510 290 HA LEU 38 HA LEU 38 -6.755 1.126 13.596 291 HB2 LEU 38 HB2 LEU 38 -4.886 1.876 15.888 292 HB3 LEU 38 HB3 LEU 38 -6.374 0.961 16.057 293 HG LEU 38 HG LEU 38 -3.881 0.036 14.576 294 HD11 LEU 38 HD11 LEU 38 -3.635 -1.621 16.357 295 HD12 LEU 38 HD12 LEU 38 -5.036 -0.955 17.198 296 HD13 LEU 38 HD13 LEU 38 -3.577 0.018 16.999 297 HD21 LEU 38 HD21 LEU 38 -5.847 -0.865 13.460 298 HD22 LEU 38 HD22 LEU 38 -6.485 -1.463 14.992 299 HD23 LEU 38 HD23 LEU 38 -4.999 -2.143 14.325 300 H SER 39 H SER 39 -5.386 4.287 13.938 301 HA SER 39 HA SER 39 -7.606 5.497 15.354 302 HB2 SER 39 HB2 SER 39 -5.279 6.357 15.607 303 HB3 SER 39 HB3 SER 39 -5.252 6.813 13.904 304 HG SER 39 HG SER 39 -7.432 7.869 15.096 305 H LEU 40 H LEU 40 -6.880 4.801 12.017 306 HA LEU 40 HA LEU 40 -8.681 6.897 10.979 307 HB2 LEU 40 HB2 LEU 40 -6.628 5.087 9.655 308 HB3 LEU 40 HB3 LEU 40 -7.726 6.093 8.729 309 HG LEU 40 HG LEU 40 -5.692 7.194 10.703 310 HD11 LEU 40 HD11 LEU 40 -4.350 7.808 8.739 311 HD12 LEU 40 HD12 LEU 40 -5.493 6.979 7.678 312 HD13 LEU 40 HD13 LEU 40 -4.550 6.062 8.856 313 HD21 LEU 40 HD21 LEU 40 -7.621 8.664 10.333 314 HD22 LEU 40 HD22 LEU 40 -7.373 8.575 8.588 315 HD23 LEU 40 HD23 LEU 40 -6.161 9.344 9.617 316 H LYS 41 H LYS 41 -10.087 6.254 9.167 317 HA LYS 41 HA LYS 41 -11.241 3.520 9.383 318 HB2 LYS 41 HB2 LYS 41 -12.623 6.077 8.415 319 HB3 LYS 41 HB3 LYS 41 -13.365 4.494 8.616 320 HG2 LYS 41 HG2 LYS 41 -12.909 4.664 11.093 321 HG3 LYS 41 HG3 LYS 41 -12.331 6.307 10.803 322 HD2 LYS 41 HD2 LYS 41 -14.627 6.429 11.559 323 HD3 LYS 41 HD3 LYS 41 -14.574 6.889 9.856 324 HE2 LYS 41 HE2 LYS 41 -15.363 4.662 9.206 325 HE3 LYS 41 HE3 LYS 41 -15.350 4.144 10.894 326 HZ1 LYS 41 HZ1 LYS 41 -17.058 5.784 11.371 327 HZ2 LYS 41 HZ2 LYS 41 -17.569 4.720 10.160 328 HZ3 LYS 41 HZ3 LYS 41 -17.071 6.286 9.755 329 H VAL 42 H VAL 42 -11.700 2.477 7.386 330 HA VAL 42 HA VAL 42 -9.598 2.797 5.496 331 HB VAL 42 HB VAL 42 -12.062 0.984 5.316 332 HG11 VAL 42 HG11 VAL 42 -10.702 -0.414 3.766 333 HG12 VAL 42 HG12 VAL 42 -9.433 0.814 3.784 334 HG13 VAL 42 HG13 VAL 42 -11.017 1.196 3.110 335 HG21 VAL 42 HG21 VAL 42 -10.616 -0.784 6.245 336 HG22 VAL 42 HG22 VAL 42 -10.734 0.578 7.357 337 HG23 VAL 42 HG23 VAL 42 -9.279 0.363 6.384 338 H ALA 43 H ALA 43 -9.524 3.768 3.514 339 HA ALA 43 HA ALA 43 -11.711 5.567 2.789 340 HB1 ALA 43 HB1 ALA 43 -9.419 6.437 2.778 341 HB2 ALA 43 HB2 ALA 43 -10.074 6.464 1.144 342 HB3 ALA 43 HB3 ALA 43 -8.922 5.209 1.612 343 H HIS 44 H HIS 44 -9.797 2.955 1.329 344 HA HIS 44 HA HIS 44 -12.150 1.852 0.025 345 HB2 HIS 44 HB2 HIS 44 -11.314 3.415 -1.698 346 HB3 HIS 44 HB3 HIS 44 -9.692 2.747 -1.572 347 HD2 HIS 44 HD2 HIS 44 -9.188 0.630 -3.219 348 HE1 HIS 44 HE1 HIS 44 -13.160 0.089 -4.553 349 HE2 HIS 44 HE2 HIS 44 -10.730 -0.478 -4.974 350 H GLN 45 H GLN 45 -11.821 -0.352 -0.616 351 HA GLN 45 HA GLN 45 -9.196 -1.574 -0.151 352 HB2 GLN 45 HB2 GLN 45 -10.641 -1.907 1.955 353 HB3 GLN 45 HB3 GLN 45 -11.739 -2.871 0.968 354 HG2 GLN 45 HG2 GLN 45 -9.856 -4.423 0.436 355 HG3 GLN 45 HG3 GLN 45 -8.806 -3.465 1.488 356 HE21 GLN 45 HE21 GLN 45 -8.391 -5.018 3.005 357 HE22 GLN 45 HE22 GLN 45 -9.592 -5.715 4.030 358 H GLN 46 H GLN 46 -8.723 -2.767 -1.854 359 HA GLN 46 HA GLN 46 -10.838 -3.673 -3.728 360 HB2 GLN 46 HB2 GLN 46 -9.088 -3.247 -5.550 361 HB3 GLN 46 HB3 GLN 46 -9.762 -1.808 -4.800 362 HG2 GLN 46 HG2 GLN 46 -7.731 -1.624 -3.384 363 HG3 GLN 46 HG3 GLN 46 -7.057 -3.030 -4.195 364 HE21 GLN 46 HE21 GLN 46 -7.987 -2.203 -6.853 365 HE22 GLN 46 HE22 GLN 46 -6.959 -0.907 -7.326 366 H VAL 47 H VAL 47 -10.787 -5.784 -4.132 367 HA VAL 47 HA VAL 47 -8.433 -7.401 -3.355 368 HB VAL 47 HB VAL 47 -11.359 -8.223 -3.756 369 HG11 VAL 47 HG11 VAL 47 -10.687 -10.472 -2.995 370 HG12 VAL 47 HG12 VAL 47 -8.996 -9.970 -2.993 371 HG13 VAL 47 HG13 VAL 47 -9.896 -10.031 -4.509 372 HG21 VAL 47 HG21 VAL 47 -9.674 -8.101 -1.219 373 HG22 VAL 47 HG22 VAL 47 -11.327 -8.710 -1.322 374 HG23 VAL 47 HG23 VAL 47 -10.995 -7.011 -1.650 375 H LEU 48 H LEU 48 -7.323 -8.393 -4.901 376 HA LEU 48 HA LEU 48 -8.259 -8.419 -7.696 377 HB2 LEU 48 HB2 LEU 48 -5.467 -7.855 -6.584 378 HB3 LEU 48 HB3 LEU 48 -5.801 -8.127 -8.287 379 HG LEU 48 HG LEU 48 -6.884 -5.823 -6.629 380 HD11 LEU 48 HD11 LEU 48 -4.503 -5.574 -7.061 381 HD12 LEU 48 HD12 LEU 48 -5.424 -4.402 -8.003 382 HD13 LEU 48 HD13 LEU 48 -4.760 -5.841 -8.789 383 HD21 LEU 48 HD21 LEU 48 -7.261 -6.437 -9.576 384 HD22 LEU 48 HD22 LEU 48 -7.728 -4.934 -8.779 385 HD23 LEU 48 HD23 LEU 48 -8.506 -6.446 -8.323 386 HA PRO 49 HA PRO 49 -7.359 -12.847 -7.169 387 HB2 PRO 49 HB2 PRO 49 -7.701 -13.644 -9.775 388 HB3 PRO 49 HB3 PRO 49 -9.074 -13.231 -8.729 389 HG2 PRO 49 HG2 PRO 49 -7.748 -11.570 -10.835 390 HG3 PRO 49 HG3 PRO 49 -9.480 -11.772 -10.486 391 HD2 PRO 49 HD2 PRO 49 -8.031 -9.598 -9.635 392 HD3 PRO 49 HD3 PRO 49 -9.447 -10.223 -8.758 393 H TRP 50 H TRP 50 -5.128 -12.823 -6.633 394 HA TRP 50 HA TRP 50 -3.097 -12.096 -8.535 395 HB2 TRP 50 HB2 TRP 50 -2.827 -11.985 -5.980 396 HB3 TRP 50 HB3 TRP 50 -2.644 -13.740 -6.000 397 HD1 TRP 50 HD1 TRP 50 -0.329 -14.721 -6.981 398 HE1 TRP 50 HE1 TRP 50 1.890 -13.620 -7.646 399 HE3 TRP 50 HE3 TRP 50 -1.738 -9.793 -6.850 400 HZ2 TRP 50 HZ2 TRP 50 2.940 -11.051 -8.019 401 HZ3 TRP 50 HZ3 TRP 50 -0.046 -8.078 -7.361 402 HH2 TRP 50 HH2 TRP 50 2.244 -8.695 -7.937 403 H ARG 51 H ARG 51 -1.574 -13.608 -9.550 404 HA ARG 51 HA ARG 51 -2.846 -16.216 -10.191 405 HB2 ARG 51 HB2 ARG 51 -0.894 -14.599 -11.916 406 HB3 ARG 51 HB3 ARG 51 -1.669 -16.113 -12.361 407 HG2 ARG 51 HG2 ARG 51 -2.858 -14.433 -13.522 408 HG3 ARG 51 HG3 ARG 51 -3.909 -14.897 -12.195 409 HD2 ARG 51 HD2 ARG 51 -3.425 -12.882 -10.990 410 HD3 ARG 51 HD3 ARG 51 -2.080 -12.478 -12.053 411 HE ARG 51 HE ARG 51 -3.546 -11.404 -13.381 412 HH11 ARG 51 HH11 ARG 51 -5.498 -13.759 -11.603 413 HH12 ARG 51 HH12 ARG 51 -6.982 -13.184 -12.296 414 HH21 ARG 51 HH21 ARG 51 -5.481 -10.670 -14.196 415 HH22 ARG 51 HH22 ARG 51 -6.966 -11.448 -13.748 416 H GLY 52 H GLY 52 -1.891 -17.539 -8.702 417 HA2 GLY 52 HA2 GLY 52 -0.384 -19.035 -7.873 418 HA3 GLY 52 HA3 GLY 52 0.265 -19.010 -9.494 419 H GLU 53 H GLU 53 2.090 -17.754 -9.948 420 HA GLU 53 HA GLU 53 4.065 -17.715 -7.909 421 HB2 GLU 53 HB2 GLU 53 4.132 -16.646 -10.765 422 HB3 GLU 53 HB3 GLU 53 5.537 -16.739 -9.713 423 HG2 GLU 53 HG2 GLU 53 3.912 -19.068 -10.764 424 HG3 GLU 53 HG3 GLU 53 5.549 -18.616 -11.236 425 H PHE 54 H PHE 54 4.118 -16.294 -6.394 426 HA PHE 54 HA PHE 54 3.552 -13.438 -6.877 427 HB2 PHE 54 HB2 PHE 54 2.129 -14.410 -5.151 428 HB3 PHE 54 HB3 PHE 54 3.524 -15.085 -4.312 429 HD1 PHE 54 HD2 PHE 54 2.483 -11.731 -5.608 430 HD2 PHE 54 HD1 PHE 54 4.096 -13.936 -2.355 431 HE1 PHE 54 HE2 PHE 54 2.640 -9.658 -4.319 432 HE2 PHE 54 HE1 PHE 54 4.266 -11.865 -1.055 433 HZ PHE 54 HZ PHE 54 3.536 -9.727 -2.031 434 H HIS 55 H HIS 55 5.231 -12.084 -6.851 435 HA HIS 55 HA HIS 55 7.748 -12.855 -5.488 436 HB2 HIS 55 HB2 HIS 55 7.362 -11.429 -8.148 437 HB3 HIS 55 HB3 HIS 55 8.887 -11.398 -7.272 438 HD1 HIS 55 HD1 HIS 55 10.407 -12.870 -8.562 439 HD2 HIS 55 HD2 HIS 55 6.652 -14.596 -8.167 440 HE1 HIS 55 HE1 HIS 55 10.606 -15.157 -9.587 441 HE2 HIS 55 HE2 HIS 55 8.285 -16.122 -9.457 442 HA PRO 56 HA PRO 56 6.316 -9.059 -3.291 443 HB2 PRO 56 HB2 PRO 56 7.608 -9.602 -0.926 444 HB3 PRO 56 HB3 PRO 56 6.061 -10.345 -1.366 445 HG2 PRO 56 HG2 PRO 56 8.816 -11.496 -1.582 446 HG3 PRO 56 HG3 PRO 56 7.320 -12.257 -0.994 447 HD2 PRO 56 HD2 PRO 56 8.279 -12.687 -3.503 448 HD3 PRO 56 HD3 PRO 56 6.540 -12.698 -3.128 449 H ASP 57 H ASP 57 9.515 -10.365 -3.751 450 HA ASP 57 HA ASP 57 11.069 -8.073 -3.108 451 HB2 ASP 57 HB2 ASP 57 11.746 -10.284 -5.118 452 HB3 ASP 57 HB3 ASP 57 12.888 -9.184 -4.347 453 H THR 58 H THR 58 9.714 -9.301 -6.142 454 HA THR 58 HA THR 58 10.596 -7.244 -7.887 455 HB THR 58 HB THR 58 8.146 -9.039 -8.199 456 HG1 THR 58 HG1 THR 58 10.367 -9.842 -9.543 457 HG21 THR 58 HG21 THR 58 8.236 -7.187 -9.867 458 HG22 THR 58 HG22 THR 58 8.488 -8.760 -10.624 459 HG23 THR 58 HG23 THR 58 9.863 -7.695 -10.330 460 H LEU 59 H LEU 59 7.664 -7.776 -6.021 461 HA LEU 59 HA LEU 59 6.109 -5.590 -6.822 462 HB2 LEU 59 HB2 LEU 59 5.173 -7.493 -5.581 463 HB3 LEU 59 HB3 LEU 59 6.176 -7.112 -4.195 464 HG LEU 59 HG LEU 59 4.881 -5.030 -3.806 465 HD11 LEU 59 HD11 LEU 59 4.202 -4.491 -6.099 466 HD12 LEU 59 HD12 LEU 59 2.806 -4.560 -5.029 467 HD13 LEU 59 HD13 LEU 59 3.132 -5.897 -6.135 468 HD21 LEU 59 HD21 LEU 59 4.211 -7.084 -2.660 469 HD22 LEU 59 HD22 LEU 59 3.158 -7.525 -4.007 470 HD23 LEU 59 HD23 LEU 59 2.797 -6.100 -3.033 471 H GLN 60 H GLN 60 8.445 -5.945 -4.155 472 HA GLN 60 HA GLN 60 8.011 -3.408 -2.950 473 HB2 GLN 60 HB2 GLN 60 9.197 -5.623 -2.053 474 HB3 GLN 60 HB3 GLN 60 10.661 -4.889 -2.679 475 HG2 GLN 60 HG2 GLN 60 8.826 -3.543 -0.664 476 HG3 GLN 60 HG3 GLN 60 10.209 -4.517 -0.209 477 HE21 GLN 60 HE21 GLN 60 9.156 -1.474 -1.430 478 HE22 GLN 60 HE22 GLN 60 10.691 -0.694 -1.373 479 H MET 61 H MET 61 10.441 -4.580 -5.305 480 HA MET 61 HA MET 61 11.903 -2.164 -5.568 481 HB2 MET 61 HB2 MET 61 11.593 -4.518 -7.480 482 HB3 MET 61 HB3 MET 61 12.707 -3.185 -7.760 483 HG2 MET 61 HG2 MET 61 13.869 -3.740 -5.647 484 HG3 MET 61 HG3 MET 61 12.781 -5.110 -5.430 485 HE1 MET 61 HE1 MET 61 12.499 -6.276 -8.420 486 HE2 MET 61 HE2 MET 61 12.802 -7.297 -7.011 487 HE3 MET 61 HE3 MET 61 13.821 -7.445 -8.440 488 H ALA 62 H ALA 62 9.017 -3.402 -7.224 489 HA ALA 62 HA ALA 62 8.822 -1.359 -9.203 490 HB1 ALA 62 HB1 ALA 62 6.653 -3.145 -8.028 491 HB2 ALA 62 HB2 ALA 62 7.655 -3.519 -9.431 492 HB3 ALA 62 HB3 ALA 62 6.509 -2.182 -9.504 493 H LEU 63 H LEU 63 7.594 -1.741 -5.896 494 HA LEU 63 HA LEU 63 5.960 0.554 -5.726 495 HB2 LEU 63 HB2 LEU 63 7.494 -0.945 -3.553 496 HB3 LEU 63 HB3 LEU 63 6.341 0.335 -3.210 497 HG LEU 63 HG LEU 63 5.626 -2.252 -4.639 498 HD11 LEU 63 HD11 LEU 63 5.166 -1.554 -1.727 499 HD12 LEU 63 HD12 LEU 63 6.313 -2.743 -2.349 500 HD13 LEU 63 HD13 LEU 63 4.585 -3.000 -2.562 501 HD21 LEU 63 HD21 LEU 63 3.295 -1.607 -4.222 502 HD22 LEU 63 HD22 LEU 63 4.126 -0.423 -5.226 503 HD23 LEU 63 HD23 LEU 63 3.831 -0.079 -3.518 504 H GLN 64 H GLN 64 9.445 0.071 -5.093 505 HA GLN 64 HA GLN 64 10.128 2.644 -4.284 506 HB2 GLN 64 HB2 GLN 64 11.824 0.737 -5.961 507 HB3 GLN 64 HB3 GLN 64 12.435 2.124 -5.069 508 HG2 GLN 64 HG2 GLN 64 11.172 -0.355 -3.886 509 HG3 GLN 64 HG3 GLN 64 12.874 0.076 -3.836 510 HE21 GLN 64 HE21 GLN 64 9.682 0.835 -2.581 511 HE22 GLN 64 HE22 GLN 64 10.219 1.755 -1.221 512 H VAL 65 H VAL 65 9.702 1.382 -7.623 513 HA VAL 65 HA VAL 65 10.702 3.633 -9.008 514 HB VAL 65 HB VAL 65 8.641 1.551 -9.906 515 HG11 VAL 65 HG11 VAL 65 10.296 3.438 -11.624 516 HG12 VAL 65 HG12 VAL 65 8.548 3.503 -11.385 517 HG13 VAL 65 HG13 VAL 65 9.272 2.134 -12.230 518 HG21 VAL 65 HG21 VAL 65 11.662 1.581 -10.305 519 HG22 VAL 65 HG22 VAL 65 10.550 0.377 -10.961 520 HG23 VAL 65 HG23 VAL 65 10.768 0.515 -9.218 521 H VAL 66 H VAL 66 7.575 2.958 -7.525 522 HA VAL 66 HA VAL 66 6.431 5.479 -8.587 523 HB VAL 66 HB VAL 66 4.218 4.558 -7.948 524 HG11 VAL 66 HG11 VAL 66 4.068 2.858 -9.733 525 HG12 VAL 66 HG12 VAL 66 5.828 2.727 -9.770 526 HG13 VAL 66 HG13 VAL 66 5.044 4.238 -10.237 527 HG21 VAL 66 HG21 VAL 66 4.957 3.076 -6.099 528 HG22 VAL 66 HG22 VAL 66 5.705 1.991 -7.267 529 HG23 VAL 66 HG23 VAL 66 3.953 2.213 -7.263 530 H ASN 67 H ASN 67 8.302 4.933 -6.146 531 HA ASN 67 HA ASN 67 8.805 6.150 -4.310 532 HB2 ASN 67 HB2 ASN 67 6.538 7.906 -5.354 533 HB3 ASN 67 HB3 ASN 67 7.582 8.371 -4.011 534 HD21 ASN 67 HD21 ASN 67 7.191 9.522 -6.748 535 HD22 ASN 67 HD22 ASN 67 8.784 9.620 -7.404 536 H ILE 68 H ILE 68 6.812 3.992 -4.076 537 HA ILE 68 HA ILE 68 5.252 4.713 -1.715 538 HB ILE 68 HB ILE 68 5.497 2.062 -3.215 539 HG12 ILE 68 HG12 ILE 68 4.305 3.797 -4.518 540 HG13 ILE 68 HG13 ILE 68 3.197 2.524 -4.022 541 HG21 ILE 68 HG21 ILE 68 3.582 1.287 -1.841 542 HG22 ILE 68 HG22 ILE 68 3.669 2.771 -0.890 543 HG23 ILE 68 HG23 ILE 68 5.010 1.625 -0.862 544 HD11 ILE 68 HD11 ILE 68 3.454 5.260 -2.777 545 HD12 ILE 68 HD12 ILE 68 2.360 3.989 -2.225 546 HD13 ILE 68 HD13 ILE 68 2.159 4.691 -3.828 547 H GLN 69 H GLN 69 6.412 4.867 0.055 548 HA GLN 69 HA GLN 69 8.918 3.539 0.561 549 HB2 GLN 69 HB2 GLN 69 8.466 5.886 1.207 550 HB3 GLN 69 HB3 GLN 69 7.153 5.383 2.246 551 HG2 GLN 69 HG2 GLN 69 9.964 4.440 2.783 552 HG3 GLN 69 HG3 GLN 69 9.459 6.057 3.268 553 HE21 GLN 69 HE21 GLN 69 7.776 6.258 4.834 554 HE22 GLN 69 HE22 GLN 69 7.457 4.982 5.950 555 H THR 70 H THR 70 9.103 1.532 1.540 556 HA THR 70 HA THR 70 6.595 0.151 2.270 557 HB THR 70 HB THR 70 9.372 -0.932 1.591 558 HG1 THR 70 HG1 THR 70 7.818 -0.023 -0.067 559 HG21 THR 70 HG21 THR 70 6.822 -2.507 2.168 560 HG22 THR 70 HG22 THR 70 8.268 -2.477 3.178 561 HG23 THR 70 HG23 THR 70 8.340 -3.185 1.566 562 H ILE 71 H ILE 71 6.117 0.209 4.405 563 HA ILE 71 HA ILE 71 7.975 0.828 6.488 564 HB ILE 71 HB ILE 71 5.137 -0.323 6.666 565 HG12 ILE 71 HG12 ILE 71 5.224 1.867 5.481 566 HG13 ILE 71 HG13 ILE 71 4.365 1.982 7.010 567 HG21 ILE 71 HG21 ILE 71 5.085 0.534 8.988 568 HG22 ILE 71 HG22 ILE 71 6.780 1.009 8.860 569 HG23 ILE 71 HG23 ILE 71 6.332 -0.695 8.774 570 HD11 ILE 71 HD11 ILE 71 5.753 3.909 6.668 571 HD12 ILE 71 HD12 ILE 71 7.181 2.896 6.474 572 HD13 ILE 71 HD13 ILE 71 6.362 2.978 8.036 573 H ALA 72 H ALA 72 6.090 -2.098 5.737 574 HA ALA 72 HA ALA 72 8.276 -3.844 6.647 575 HB1 ALA 72 HB1 ALA 72 5.430 -4.042 7.741 576 HB2 ALA 72 HB2 ALA 72 6.859 -3.538 8.647 577 HB3 ALA 72 HB3 ALA 72 6.741 -5.189 8.044 578 H MET 73 H MET 73 8.014 -6.030 5.860 579 HA MET 73 HA MET 73 5.859 -6.712 4.064 580 HB2 MET 73 HB2 MET 73 7.250 -5.384 2.523 581 HB3 MET 73 HB3 MET 73 8.686 -6.300 2.957 582 HG2 MET 73 HG2 MET 73 7.941 -8.224 1.797 583 HG3 MET 73 HG3 MET 73 6.286 -7.626 1.687 584 HE1 MET 73 HE1 MET 73 5.451 -5.844 -0.082 585 HE2 MET 73 HE2 MET 73 6.541 -4.888 -1.088 586 HE3 MET 73 HE3 MET 73 6.535 -4.665 0.660 587 H SER 74 H SER 74 5.556 -8.905 4.058 588 HA SER 74 HA SER 74 7.318 -10.632 5.582 589 HB2 SER 74 HB2 SER 74 4.789 -11.275 4.006 590 HB3 SER 74 HB3 SER 74 5.629 -12.396 5.080 591 HG SER 74 HG SER 74 4.708 -9.874 5.968 592 H ARG 75 H ARG 75 7.626 -12.943 4.397 593 HA ARG 75 HA ARG 75 9.514 -12.248 2.239 594 HB2 ARG 75 HB2 ARG 75 9.367 -14.677 4.083 595 HB3 ARG 75 HB3 ARG 75 10.632 -14.383 2.892 596 HG2 ARG 75 HG2 ARG 75 11.322 -12.349 4.103 597 HG3 ARG 75 HG3 ARG 75 10.037 -12.618 5.285 598 HD2 ARG 75 HD2 ARG 75 12.201 -13.367 6.160 599 HD3 ARG 75 HD3 ARG 75 11.101 -14.738 5.968 600 HE ARG 75 HE ARG 75 12.814 -14.295 3.692 601 HH11 ARG 75 HH11 ARG 75 12.642 -15.918 6.829 602 HH12 ARG 75 HH12 ARG 75 13.860 -17.081 6.414 603 HH21 ARG 75 HH21 ARG 75 14.411 -15.821 3.187 604 HH22 ARG 75 HH22 ARG 75 14.862 -17.023 4.355 605 H ALA 76 H ALA 76 9.907 -13.937 0.565 606 HA ALA 76 HA ALA 76 7.591 -14.576 -0.922 607 HB1 ALA 76 HB1 ALA 76 9.146 -15.742 -2.461 608 HB2 ALA 76 HB2 ALA 76 10.428 -15.633 -1.251 609 HB3 ALA 76 HB3 ALA 76 9.784 -14.167 -1.987 610 H GLY 77 H GLY 77 6.298 -16.329 -0.876 611 HA2 GLY 77 HA2 GLY 77 5.784 -18.608 -0.694 612 HA3 GLY 77 HA3 GLY 77 7.167 -18.859 0.366 613 H SER 78 H SER 78 6.045 -16.160 1.675 614 HA SER 78 HA SER 78 4.857 -17.436 3.928 615 HB2 SER 78 HB2 SER 78 6.149 -15.283 4.053 616 HB3 SER 78 HB3 SER 78 4.855 -14.466 3.173 617 HG SER 78 HG SER 78 5.021 -15.167 5.835 618 H ARG 79 H ARG 79 2.801 -18.214 4.017 619 HA ARG 79 HA ARG 79 0.572 -16.615 2.908 620 HB2 ARG 79 HB2 ARG 79 1.048 -19.582 2.516 621 HB3 ARG 79 HB3 ARG 79 -0.604 -19.017 2.706 622 HG2 ARG 79 HG2 ARG 79 -0.266 -19.146 0.382 623 HG3 ARG 79 HG3 ARG 79 -0.168 -17.433 0.755 624 HD2 ARG 79 HD2 ARG 79 2.298 -17.569 0.643 625 HD3 ARG 79 HD3 ARG 79 2.184 -19.287 0.255 626 HE ARG 79 HE ARG 79 0.721 -18.307 -1.694 627 HH11 ARG 79 HH11 ARG 79 3.776 -17.032 -0.503 628 HH12 ARG 79 HH12 ARG 79 4.230 -16.379 -2.044 629 HH21 ARG 79 HH21 ARG 79 1.315 -17.453 -3.667 630 HH22 ARG 79 HH22 ARG 79 2.828 -16.623 -3.845 631 HA PRO 80 HA PRO 80 -1.121 -15.661 3.496 632 HB2 PRO 80 HB2 PRO 80 -2.244 -13.918 5.247 633 HB3 PRO 80 HB3 PRO 80 -3.030 -15.453 4.832 634 HG2 PRO 80 HG2 PRO 80 -1.397 -14.776 7.250 635 HG3 PRO 80 HG3 PRO 80 -2.950 -15.639 7.143 636 HD2 PRO 80 HD2 PRO 80 -0.537 -16.931 7.370 637 HD3 PRO 80 HD3 PRO 80 -1.954 -17.643 6.565 638 H TRP 81 H TRP 81 0.181 -14.217 2.633 639 HA TRP 81 HA TRP 81 2.462 -13.033 3.966 640 HB2 TRP 81 HB2 TRP 81 2.567 -13.798 1.616 641 HB3 TRP 81 HB3 TRP 81 1.298 -12.678 1.161 642 HD1 TRP 81 HD1 TRP 81 5.050 -12.797 1.947 643 HE1 TRP 81 HE1 TRP 81 6.118 -10.596 1.156 644 HE3 TRP 81 HE3 TRP 81 0.811 -10.227 0.787 645 HZ2 TRP 81 HZ2 TRP 81 5.276 -8.112 0.140 646 HZ3 TRP 81 HZ3 TRP 81 1.023 -7.960 -0.110 647 HH2 TRP 81 HH2 TRP 81 3.207 -6.910 -0.424 648 H LYS 82 H LYS 82 2.536 -10.932 4.846 649 HA LYS 82 HA LYS 82 0.516 -8.967 3.912 650 HB2 LYS 82 HB2 LYS 82 -0.127 -9.872 6.142 651 HB3 LYS 82 HB3 LYS 82 1.421 -9.363 6.806 652 HG2 LYS 82 HG2 LYS 82 0.853 -7.022 6.470 653 HG3 LYS 82 HG3 LYS 82 -0.640 -7.458 5.642 654 HD2 LYS 82 HD2 LYS 82 -0.024 -8.095 8.555 655 HD3 LYS 82 HD3 LYS 82 -1.004 -6.737 8.006 656 HE2 LYS 82 HE2 LYS 82 -2.622 -8.298 7.005 657 HE3 LYS 82 HE3 LYS 82 -1.646 -9.666 7.551 658 HZ1 LYS 82 HZ1 LYS 82 -1.995 -8.866 9.854 659 HZ2 LYS 82 HZ2 LYS 82 -3.430 -9.319 9.084 660 HZ3 LYS 82 HZ3 LYS 82 -3.050 -7.680 9.264 661 H ALA 83 H ALA 83 1.137 -6.755 3.996 662 HA ALA 83 HA ALA 83 3.877 -6.018 4.665 663 HB1 ALA 83 HB1 ALA 83 4.262 -4.895 2.496 664 HB2 ALA 83 HB2 ALA 83 2.741 -5.554 1.878 665 HB3 ALA 83 HB3 ALA 83 4.071 -6.637 2.290 666 H TYR 84 H TYR 84 4.029 -3.895 5.226 667 HA TYR 84 HA TYR 84 1.591 -2.210 5.186 668 HB2 TYR 84 HB2 TYR 84 3.986 -2.171 7.094 669 HB3 TYR 84 HB3 TYR 84 2.607 -1.074 7.171 670 HD1 TYR 84 HD1 TYR 84 0.237 -2.625 6.996 671 HD2 TYR 84 HD2 TYR 84 3.923 -3.737 8.854 672 HE1 TYR 84 HE1 TYR 84 -0.972 -4.178 8.446 673 HE2 TYR 84 HE2 TYR 84 2.709 -5.302 10.312 674 HH TYR 84 HH TYR 84 0.468 -5.586 11.203 675 H LEU 85 H LEU 85 1.715 -0.463 3.912 676 HA LEU 85 HA LEU 85 4.327 0.581 2.974 677 HB2 LEU 85 HB2 LEU 85 1.655 0.611 1.488 678 HB3 LEU 85 HB3 LEU 85 3.205 1.140 0.863 679 HG LEU 85 HG LEU 85 2.417 -1.725 1.480 680 HD11 LEU 85 HD11 LEU 85 2.529 -2.042 -0.964 681 HD12 LEU 85 HD12 LEU 85 2.833 -0.318 -1.180 682 HD13 LEU 85 HD13 LEU 85 1.297 -0.869 -0.506 683 HD21 LEU 85 HD21 LEU 85 4.562 -2.374 0.462 684 HD22 LEU 85 HD22 LEU 85 4.796 -1.419 1.923 685 HD23 LEU 85 HD23 LEU 85 5.023 -0.673 0.338 686 H SER 86 H SER 86 4.476 2.824 2.747 687 HA SER 86 HA SER 86 2.200 4.538 3.360 688 HB2 SER 86 HB2 SER 86 4.823 4.669 4.913 689 HB3 SER 86 HB3 SER 86 3.645 5.981 4.882 690 HG SER 86 HG SER 86 2.375 3.713 5.464 691 H ALA 87 H ALA 87 2.384 6.618 2.546 692 HA ALA 87 HA ALA 87 4.719 7.497 1.055 693 HB1 ALA 87 HB1 ALA 87 3.545 6.117 -0.635 694 HB2 ALA 87 HB2 ALA 87 3.461 7.824 -1.064 695 HB3 ALA 87 HB3 ALA 87 2.052 7.022 -0.365 696 H GLN 88 H GLN 88 4.275 9.735 0.173 697 HA GLN 88 HA GLN 88 2.010 11.181 1.395 698 HB2 GLN 88 HB2 GLN 88 3.930 11.421 2.972 699 HB3 GLN 88 HB3 GLN 88 4.948 12.019 1.666 700 HG2 GLN 88 HG2 GLN 88 3.502 14.002 1.447 701 HG3 GLN 88 HG3 GLN 88 2.473 13.400 2.748 702 HE21 GLN 88 HE21 GLN 88 5.638 14.693 1.973 703 HE22 GLN 88 HE22 GLN 88 6.065 15.150 3.581 704 H ASP 89 H ASP 89 1.060 12.271 -0.314 705 HA ASP 89 HA ASP 89 2.595 12.577 -2.779 706 HB2 ASP 89 HB2 ASP 89 0.597 13.104 -3.885 707 HB3 ASP 89 HB3 ASP 89 0.085 11.949 -2.665 708 H ASP 90 H ASP 90 2.012 14.846 -3.923 709 HA ASP 90 HA ASP 90 3.826 16.654 -2.739 710 HB2 ASP 90 HB2 ASP 90 3.391 18.043 -4.694 711 HB3 ASP 90 HB3 ASP 90 3.481 16.359 -5.183 712 H THR 91 H THR 91 0.405 16.331 -2.324 713 HA THR 91 HA THR 91 0.043 19.106 -1.377 714 HB THR 91 HB THR 91 -2.321 18.739 -1.354 715 HG1 THR 91 HG1 THR 91 -1.792 15.964 -1.637 716 HG21 THR 91 HG21 THR 91 -2.814 17.929 -3.641 717 HG22 THR 91 HG22 THR 91 -1.206 17.212 -3.735 718 HG23 THR 91 HG23 THR 91 -1.384 18.965 -3.634 719 H GLY 92 H GLY 92 1.229 16.329 -0.069 720 HA2 GLY 92 HA2 GLY 92 2.125 16.233 2.079 721 HA3 GLY 92 HA3 GLY 92 1.003 17.472 2.611 722 H CYS 93 H CYS 93 -0.675 15.055 0.946 723 HA CYS 93 HA CYS 93 -1.893 14.090 3.381 724 HB2 CYS 93 HB2 CYS 93 -2.395 13.119 0.530 725 HB3 CYS 93 HB3 CYS 93 -3.463 12.962 1.929 726 HG CYS 93 HG CYS 93 -2.587 15.995 0.625 727 H LEU 94 H LEU 94 -1.519 12.169 4.354 728 HA LEU 94 HA LEU 94 0.780 10.553 3.497 729 HB2 LEU 94 HB2 LEU 94 0.226 11.589 5.953 730 HB3 LEU 94 HB3 LEU 94 -0.658 10.093 6.138 731 HG LEU 94 HG LEU 94 1.548 9.884 7.151 732 HD11 LEU 94 HD11 LEU 94 0.707 7.832 6.145 733 HD12 LEU 94 HD12 LEU 94 2.462 7.892 6.026 734 HD13 LEU 94 HD13 LEU 94 1.467 8.231 4.604 735 HD21 LEU 94 HD21 LEU 94 2.725 11.619 5.875 736 HD22 LEU 94 HD22 LEU 94 2.755 10.577 4.451 737 HD23 LEU 94 HD23 LEU 94 3.649 10.117 5.902 738 H PHE 95 H PHE 95 0.432 8.537 2.671 739 HA PHE 95 HA PHE 95 -2.280 7.341 2.679 740 HB2 PHE 95 HB2 PHE 95 0.025 6.947 0.695 741 HB3 PHE 95 HB3 PHE 95 -1.576 6.214 0.578 742 HD1 PHE 95 HD2 PHE 95 0.328 9.372 0.283 743 HD2 PHE 95 HD1 PHE 95 -3.479 7.494 -0.218 744 HE1 PHE 95 HE2 PHE 95 -0.477 11.325 -0.962 745 HE2 PHE 95 HE1 PHE 95 -4.275 9.455 -1.462 746 HZ PHE 95 HZ PHE 95 -2.774 11.376 -1.835 747 H LEU 96 H LEU 96 -2.476 5.406 3.731 748 HA LEU 96 HA LEU 96 -0.018 3.801 4.209 749 HB2 LEU 96 HB2 LEU 96 -2.424 3.934 6.086 750 HB3 LEU 96 HB3 LEU 96 -0.927 3.065 6.336 751 HG LEU 96 HG LEU 96 0.155 5.520 6.207 752 HD11 LEU 96 HD11 LEU 96 -1.251 7.245 7.222 753 HD12 LEU 96 HD12 LEU 96 -2.646 6.165 7.164 754 HD13 LEU 96 HD13 LEU 96 -1.890 6.716 5.667 755 HD21 LEU 96 HD21 LEU 96 0.420 4.061 8.116 756 HD22 LEU 96 HD22 LEU 96 -1.205 4.442 8.692 757 HD23 LEU 96 HD23 LEU 96 0.040 5.692 8.663 758 H THR 97 H THR 97 -0.140 1.761 3.481 759 HA THR 97 HA THR 97 -2.745 0.626 2.636 760 HB THR 97 HB THR 97 -0.113 0.317 1.096 761 HG1 THR 97 HG1 THR 97 -2.143 2.251 0.959 762 HG21 THR 97 HG21 THR 97 -2.986 -0.303 0.294 763 HG22 THR 97 HG22 THR 97 -1.748 -1.502 0.679 764 HG23 THR 97 HG23 THR 97 -1.567 -0.472 -0.741 765 H GLU 98 H GLU 98 -3.012 -1.585 2.925 766 HA GLU 98 HA GLU 98 -0.750 -3.181 3.986 767 HB2 GLU 98 HB2 GLU 98 -2.350 -2.782 5.821 768 HB3 GLU 98 HB3 GLU 98 -3.678 -3.368 4.837 769 HG2 GLU 98 HG2 GLU 98 -2.501 -5.610 4.744 770 HG3 GLU 98 HG3 GLU 98 -1.366 -4.982 5.937 771 H LEU 99 H LEU 99 -0.213 -4.632 2.523 772 HA LEU 99 HA LEU 99 -2.177 -5.671 0.577 773 HB2 LEU 99 HB2 LEU 99 0.861 -5.947 0.608 774 HB3 LEU 99 HB3 LEU 99 -0.209 -6.437 -0.692 775 HG LEU 99 HG LEU 99 0.382 -3.576 0.154 776 HD11 LEU 99 HD11 LEU 99 1.174 -5.107 -2.349 777 HD12 LEU 99 HD12 LEU 99 2.247 -4.630 -1.031 778 HD13 LEU 99 HD13 LEU 99 1.492 -3.397 -2.036 779 HD21 LEU 99 HD21 LEU 99 -0.944 -2.888 -1.802 780 HD22 LEU 99 HD22 LEU 99 -1.928 -3.726 -0.605 781 HD23 LEU 99 HD23 LEU 99 -1.422 -4.567 -2.072 782 H LEU 100 H LEU 100 -2.878 -7.765 0.831 783 HA LEU 100 HA LEU 100 -1.482 -9.578 2.690 784 HB2 LEU 100 HB2 LEU 100 -3.590 -8.170 3.590 785 HB3 LEU 100 HB3 LEU 100 -4.508 -9.409 2.766 786 HG LEU 100 HG LEU 100 -2.639 -9.757 5.136 787 HD11 LEU 100 HD11 LEU 100 -4.648 -10.526 6.311 788 HD12 LEU 100 HD12 LEU 100 -5.618 -10.232 4.868 789 HD13 LEU 100 HD13 LEU 100 -4.840 -8.884 5.699 790 HD21 LEU 100 HD21 LEU 100 -3.190 -12.159 5.152 791 HD22 LEU 100 HD22 LEU 100 -2.277 -11.698 3.719 792 HD23 LEU 100 HD23 LEU 100 -4.015 -11.978 3.600 793 H LEU 101 H LEU 101 -1.054 -11.411 1.551 794 HA LEU 101 HA LEU 101 -2.796 -12.179 -0.690 795 HB2 LEU 101 HB2 LEU 101 -0.398 -11.907 -1.250 796 HB3 LEU 101 HB3 LEU 101 0.035 -13.076 -0.010 797 HG LEU 101 HG LEU 101 -1.266 -14.828 -1.290 798 HD11 LEU 101 HD11 LEU 101 -1.847 -14.443 -3.622 799 HD12 LEU 101 HD12 LEU 101 -1.411 -12.739 -3.473 800 HD13 LEU 101 HD13 LEU 101 -2.770 -13.391 -2.553 801 HD21 LEU 101 HD21 LEU 101 1.162 -14.677 -1.453 802 HD22 LEU 101 HD22 LEU 101 1.018 -13.541 -2.796 803 HD23 LEU 101 HD23 LEU 101 0.452 -15.204 -2.977 804 H GLU 102 H GLU 102 -4.255 -13.587 -0.155 805 HA GLU 102 HA GLU 102 -4.396 -15.125 2.209 806 HB2 GLU 102 HB2 GLU 102 -6.065 -15.105 -0.342 807 HB3 GLU 102 HB3 GLU 102 -6.505 -16.025 1.088 808 HG2 GLU 102 HG2 GLU 102 -6.166 -13.016 1.025 809 HG3 GLU 102 HG3 GLU 102 -7.710 -13.855 0.883 810 HA PRO 103 HA PRO 103 -2.681 -19.067 0.691 811 HB2 PRO 103 HB2 PRO 103 -3.519 -20.696 2.702 812 HB3 PRO 103 HB3 PRO 103 -2.246 -19.491 2.957 813 HG2 PRO 103 HG2 PRO 103 -5.150 -19.322 3.655 814 HG3 PRO 103 HG3 PRO 103 -3.734 -18.876 4.633 815 HD2 PRO 103 HD2 PRO 103 -5.209 -17.038 3.240 816 HD3 PRO 103 HD3 PRO 103 -3.472 -16.834 3.571 817 H GLY 104 H GLY 104 -3.503 -21.259 0.094 818 HA2 GLY 104 HA2 GLY 104 -5.014 -22.722 -0.870 819 HA3 GLY 104 HA3 GLY 104 -6.335 -21.726 -0.275 820 H ASN 105 H ASN 105 -7.156 -20.080 -1.573 821 HA ASN 105 HA ASN 105 -6.481 -20.017 -4.415 822 HB2 ASN 105 HB2 ASN 105 -8.628 -18.632 -2.752 823 HB3 ASN 105 HB3 ASN 105 -8.366 -18.256 -4.458 824 HD21 ASN 105 HD21 ASN 105 -9.089 -19.709 -6.017 825 HD22 ASN 105 HD22 ASN 105 -10.042 -21.102 -5.648 826 H SER 106 H SER 106 -5.298 -18.396 -5.406 827 HA SER 106 HA SER 106 -3.727 -16.644 -3.753 828 HB2 SER 106 HB2 SER 106 -3.903 -16.677 -6.789 829 HB3 SER 106 HB3 SER 106 -2.614 -15.970 -5.817 830 HG SER 106 HG SER 106 -2.150 -18.103 -5.078 831 H GLU 107 H GLU 107 -5.276 -15.345 -2.735 832 HA GLU 107 HA GLU 107 -6.691 -13.326 -4.398 833 HB2 GLU 107 HB2 GLU 107 -8.204 -14.687 -2.990 834 HB3 GLU 107 HB3 GLU 107 -7.238 -14.339 -1.560 835 HG2 GLU 107 HG2 GLU 107 -7.812 -11.928 -1.779 836 HG3 GLU 107 HG3 GLU 107 -8.824 -12.319 -3.169 837 H MET 108 H MET 108 -5.801 -11.330 -4.335 838 HA MET 108 HA MET 108 -3.840 -10.639 -2.226 839 HB2 MET 108 HB2 MET 108 -3.123 -10.698 -4.705 840 HB3 MET 108 HB3 MET 108 -4.182 -9.320 -4.968 841 HG2 MET 108 HG2 MET 108 -1.993 -8.458 -4.707 842 HG3 MET 108 HG3 MET 108 -2.837 -8.101 -3.194 843 HE1 MET 108 HE1 MET 108 1.012 -8.908 -2.410 844 HE2 MET 108 HE2 MET 108 -0.186 -7.614 -2.501 845 HE3 MET 108 HE3 MET 108 0.428 -8.359 -3.980 846 H GLN 109 H GLN 109 -4.615 -9.227 -0.761 847 HA GLN 109 HA GLN 109 -7.001 -7.590 -1.303 848 HB2 GLN 109 HB2 GLN 109 -5.692 -8.366 1.353 849 HB3 GLN 109 HB3 GLN 109 -7.206 -7.482 1.169 850 HG2 GLN 109 HG2 GLN 109 -8.290 -9.430 0.210 851 HG3 GLN 109 HG3 GLN 109 -6.755 -10.314 0.218 852 HE21 GLN 109 HE21 GLN 109 -5.853 -10.940 2.235 853 HE22 GLN 109 HE22 GLN 109 -6.832 -11.078 3.651 854 H ILE 110 H ILE 110 -6.701 -5.453 -1.495 855 HA ILE 110 HA ILE 110 -4.219 -4.182 -0.473 856 HB ILE 110 HB ILE 110 -5.977 -3.276 -2.815 857 HG12 ILE 110 HG12 ILE 110 -3.756 -3.663 -4.163 858 HG13 ILE 110 HG13 ILE 110 -3.277 -4.676 -2.813 859 HG21 ILE 110 HG21 ILE 110 -5.035 -1.374 -1.602 860 HG22 ILE 110 HG22 ILE 110 -4.274 -1.522 -3.183 861 HG23 ILE 110 HG23 ILE 110 -3.412 -2.057 -1.741 862 HD11 ILE 110 HD11 ILE 110 -5.703 -5.115 -4.560 863 HD12 ILE 110 HD12 ILE 110 -5.171 -6.157 -3.239 864 HD13 ILE 110 HD13 ILE 110 -4.167 -5.976 -4.676 865 H SER 111 H SER 111 -4.697 -3.029 1.325 866 HA SER 111 HA SER 111 -7.401 -1.867 1.719 867 HB2 SER 111 HB2 SER 111 -5.230 -2.497 3.785 868 HB3 SER 111 HB3 SER 111 -6.842 -1.875 4.136 869 HG SER 111 HG SER 111 -6.195 -4.350 4.055 870 H VAL 112 H VAL 112 -7.366 0.181 0.998 871 HA VAL 112 HA VAL 112 -4.963 1.867 1.316 872 HB VAL 112 HB VAL 112 -7.478 2.452 -0.341 873 HG11 VAL 112 HG11 VAL 112 -6.109 4.217 -1.407 874 HG12 VAL 112 HG12 VAL 112 -4.771 3.839 -0.322 875 HG13 VAL 112 HG13 VAL 112 -6.278 4.485 0.329 876 HG21 VAL 112 HG21 VAL 112 -6.334 0.482 -1.260 877 HG22 VAL 112 HG22 VAL 112 -4.813 1.374 -1.327 878 HG23 VAL 112 HG23 VAL 112 -6.169 1.865 -2.345 879 H LYS 113 H LYS 113 -4.981 3.137 3.057 880 HA LYS 113 HA LYS 113 -7.381 4.541 3.941 881 HB2 LYS 113 HB2 LYS 113 -7.381 2.421 5.210 882 HB3 LYS 113 HB3 LYS 113 -5.727 2.709 5.741 883 HG2 LYS 113 HG2 LYS 113 -6.389 4.527 7.135 884 HG3 LYS 113 HG3 LYS 113 -8.008 4.579 6.420 885 HD2 LYS 113 HD2 LYS 113 -7.993 3.528 8.667 886 HD3 LYS 113 HD3 LYS 113 -8.566 2.422 7.420 887 HE2 LYS 113 HE2 LYS 113 -6.320 1.377 7.365 888 HE3 LYS 113 HE3 LYS 113 -5.801 2.472 8.648 889 HZ1 LYS 113 HZ1 LYS 113 -6.435 0.301 9.509 890 HZ2 LYS 113 HZ2 LYS 113 -7.993 0.481 8.876 891 HZ3 LYS 113 HZ3 LYS 113 -7.456 1.511 10.101 892 H GLN 114 H GLN 114 -6.721 6.573 3.877 893 HA GLN 114 HA GLN 114 -3.903 7.284 4.446 894 HB2 GLN 114 HB2 GLN 114 -4.392 9.222 2.896 895 HB3 GLN 114 HB3 GLN 114 -4.464 7.644 2.127 896 HG2 GLN 114 HG2 GLN 114 -7.020 7.779 2.522 897 HG3 GLN 114 HG3 GLN 114 -6.743 9.493 2.827 898 HE21 GLN 114 HE21 GLN 114 -6.046 10.817 1.082 899 HE22 GLN 114 HE22 GLN 114 -6.218 10.311 -0.562 900 H ASN 115 H ASN 115 -3.587 9.420 5.385 901 HA ASN 115 HA ASN 115 -5.104 9.702 7.790 902 HB2 ASN 115 HB2 ASN 115 -2.653 10.080 7.724 903 HB3 ASN 115 HB3 ASN 115 -2.886 11.458 6.648 904 HD21 ASN 115 HD21 ASN 115 -2.038 13.012 7.993 905 HD22 ASN 115 HD22 ASN 115 -2.719 13.450 9.518 906 H GLU 116 H GLU 116 -4.549 11.902 5.011 907 HA GLU 116 HA GLU 116 -7.177 13.192 5.522 908 HB2 GLU 116 HB2 GLU 116 -4.758 14.237 3.969 909 HB3 GLU 116 HB3 GLU 116 -6.298 15.078 4.120 910 HG2 GLU 116 HG2 GLU 116 -5.990 15.339 6.509 911 HG3 GLU 116 HG3 GLU 116 -4.526 14.359 6.465 912 H ALA 117 H ALA 117 -8.640 12.129 4.311 913 HA ALA 117 HA ALA 117 -7.968 10.860 1.788 914 HB1 ALA 117 HB1 ALA 117 -10.617 11.027 3.276 915 HB2 ALA 117 HB2 ALA 117 -9.439 9.721 3.412 916 HB3 ALA 117 HB3 ALA 117 -10.277 9.994 1.883 917 H ARG 118 H ARG 118 -7.818 12.167 0.038 918 HA ARG 118 HA ARG 118 -10.120 13.924 -0.618 919 HB2 ARG 118 HB2 ARG 118 -7.793 14.972 -0.771 920 HB3 ARG 118 HB3 ARG 118 -7.394 13.810 -2.029 921 HG2 ARG 118 HG2 ARG 118 -8.951 14.782 -3.558 922 HG3 ARG 118 HG3 ARG 118 -9.743 15.707 -2.281 923 HD2 ARG 118 HD2 ARG 118 -8.481 17.328 -3.395 924 HD3 ARG 118 HD3 ARG 118 -7.451 16.923 -2.029 925 HE ARG 118 HE ARG 118 -7.040 15.969 -4.811 926 HH11 ARG 118 HH11 ARG 118 -5.672 16.922 -1.694 927 HH12 ARG 118 HH12 ARG 118 -4.039 16.784 -2.244 928 HH21 ARG 118 HH21 ARG 118 -4.865 15.861 -5.504 929 HH22 ARG 118 HH22 ARG 118 -3.587 16.190 -4.381 930 H THR 119 H THR 119 -11.386 13.286 -2.404 931 HA THR 119 HA THR 119 -11.449 10.512 -2.965 932 HB THR 119 HB THR 119 -12.858 12.692 -4.572 933 HG1 THR 119 HG1 THR 119 -13.760 13.134 -2.695 934 HG21 THR 119 HG21 THR 119 -13.062 10.402 -5.539 935 HG22 THR 119 HG22 THR 119 -14.609 10.968 -4.914 936 HG23 THR 119 HG23 THR 119 -13.661 9.800 -3.991 937 H GLU 120 H GLU 120 -10.278 13.328 -4.805 938 HA GLU 120 HA GLU 120 -9.476 12.109 -7.172 939 HB2 GLU 120 HB2 GLU 120 -9.415 14.589 -6.795 940 HB3 GLU 120 HB3 GLU 120 -8.045 14.384 -5.704 941 HG2 GLU 120 HG2 GLU 120 -6.825 13.290 -7.693 942 HG3 GLU 120 HG3 GLU 120 -8.128 13.916 -8.695 943 H THR 121 H THR 121 -7.569 12.570 -4.145 944 HA THR 121 HA THR 121 -5.188 11.357 -5.096 945 HB THR 121 HB THR 121 -4.544 11.118 -2.644 946 HG1 THR 121 HG1 THR 121 -5.940 12.335 -1.190 947 HG21 THR 121 HG21 THR 121 -5.465 13.874 -3.479 948 HG22 THR 121 HG22 THR 121 -3.925 13.129 -3.906 949 HG23 THR 121 HG23 THR 121 -4.284 13.513 -2.221 950 H LEU 122 H LEU 122 -8.018 10.064 -3.415 951 HA LEU 122 HA LEU 122 -7.051 7.518 -2.805 952 HB2 LEU 122 HB2 LEU 122 -9.160 8.415 -1.858 953 HB3 LEU 122 HB3 LEU 122 -9.900 8.402 -3.453 954 HG LEU 122 HG LEU 122 -9.687 5.897 -3.493 955 HD11 LEU 122 HD11 LEU 122 -9.222 4.681 -1.410 956 HD12 LEU 122 HD12 LEU 122 -8.755 6.191 -0.630 957 HD13 LEU 122 HD13 LEU 122 -7.822 5.573 -1.996 958 HD21 LEU 122 HD21 LEU 122 -11.286 6.957 -1.144 959 HD22 LEU 122 HD22 LEU 122 -11.536 5.416 -1.971 960 HD23 LEU 122 HD23 LEU 122 -11.810 6.928 -2.830 961 H ASN 123 H ASN 123 -8.967 8.602 -5.670 962 HA ASN 123 HA ASN 123 -9.072 6.018 -6.867 963 HB2 ASN 123 HB2 ASN 123 -9.589 8.780 -8.061 964 HB3 ASN 123 HB3 ASN 123 -9.866 7.281 -8.938 965 HD21 ASN 123 HD21 ASN 123 -11.245 9.540 -6.867 966 HD22 ASN 123 HD22 ASN 123 -12.664 8.661 -6.432 967 H SER 124 H SER 124 -6.879 8.747 -7.200 968 HA SER 124 HA SER 124 -5.485 7.714 -9.505 969 HB2 SER 124 HB2 SER 124 -3.891 9.602 -9.043 970 HB3 SER 124 HB3 SER 124 -5.569 10.125 -9.166 971 HG SER 124 HG SER 124 -5.258 10.982 -7.279 972 H PHE 125 H PHE 125 -5.072 7.545 -5.997 973 HA PHE 125 HA PHE 125 -2.463 6.388 -5.956 974 HB2 PHE 125 HB2 PHE 125 -3.582 7.442 -3.963 975 HB3 PHE 125 HB3 PHE 125 -4.687 6.077 -3.884 976 HD1 PHE 125 HD2 PHE 125 -1.079 7.008 -3.673 977 HD2 PHE 125 HD1 PHE 125 -4.053 4.109 -2.671 978 HE1 PHE 125 HE2 PHE 125 0.532 5.849 -2.229 979 HE2 PHE 125 HE1 PHE 125 -2.432 2.952 -1.229 980 HZ PHE 125 HZ PHE 125 -0.137 3.822 -1.002 981 H ILE 126 H ILE 126 -5.733 5.066 -5.915 982 HA ILE 126 HA ILE 126 -5.234 2.315 -5.987 983 HB ILE 126 HB ILE 126 -7.503 3.953 -7.225 984 HG12 ILE 126 HG12 ILE 126 -7.556 2.295 -4.661 985 HG13 ILE 126 HG13 ILE 126 -7.166 4.009 -4.679 986 HG21 ILE 126 HG21 ILE 126 -8.835 1.864 -7.315 987 HG22 ILE 126 HG22 ILE 126 -7.412 0.944 -6.826 988 HG23 ILE 126 HG23 ILE 126 -7.423 1.789 -8.374 989 HD11 ILE 126 HD11 ILE 126 -9.383 4.494 -5.605 990 HD12 ILE 126 HD12 ILE 126 -9.457 3.670 -4.049 991 HD13 ILE 126 HD13 ILE 126 -9.780 2.774 -5.532 992 H SER 127 H SER 127 -5.443 4.714 -8.655 993 HA SER 127 HA SER 127 -5.089 3.010 -10.850 994 HB2 SER 127 HB2 SER 127 -4.175 5.905 -10.554 995 HB3 SER 127 HB3 SER 127 -4.345 5.039 -12.082 996 HG SER 127 HG SER 127 -6.570 5.000 -10.439 997 H VAL 128 H VAL 128 -2.637 4.636 -8.820 998 HA VAL 128 HA VAL 128 -0.312 3.814 -10.183 999 HB VAL 128 HB VAL 128 -0.685 4.377 -7.195 1000 HG11 VAL 128 HG11 VAL 128 1.351 3.040 -7.519 1001 HG12 VAL 128 HG12 VAL 128 1.773 4.695 -7.086 1002 HG13 VAL 128 HG13 VAL 128 1.917 4.159 -8.761 1003 HG21 VAL 128 HG21 VAL 128 -1.226 6.302 -8.623 1004 HG22 VAL 128 HG22 VAL 128 0.340 6.175 -9.423 1005 HG23 VAL 128 HG23 VAL 128 0.254 6.607 -7.713 1006 H LEU 129 H LEU 129 -1.939 2.351 -7.349 1007 HA LEU 129 HA LEU 129 -0.404 0.057 -7.052 1008 HB2 LEU 129 HB2 LEU 129 -3.377 0.353 -6.480 1009 HB3 LEU 129 HB3 LEU 129 -2.328 -0.885 -5.805 1010 HG LEU 129 HG LEU 129 -2.047 2.097 -5.279 1011 HD11 LEU 129 HD11 LEU 129 -4.089 1.212 -4.294 1012 HD12 LEU 129 HD12 LEU 129 -2.917 1.622 -3.046 1013 HD13 LEU 129 HD13 LEU 129 -3.172 -0.066 -3.494 1014 HD21 LEU 129 HD21 LEU 129 -0.453 1.460 -3.513 1015 HD22 LEU 129 HD22 LEU 129 0.119 0.971 -5.105 1016 HD23 LEU 129 HD23 LEU 129 -0.565 -0.232 -4.009 1017 H GLU 130 H GLU 130 -3.193 0.580 -9.200 1018 HA GLU 130 HA GLU 130 -3.566 -2.096 -10.075 1019 HB2 GLU 130 HB2 GLU 130 -4.221 0.566 -11.422 1020 HB3 GLU 130 HB3 GLU 130 -4.750 -0.989 -12.044 1021 HG2 GLU 130 HG2 GLU 130 -5.474 -0.004 -9.282 1022 HG3 GLU 130 HG3 GLU 130 -6.445 0.346 -10.695 1023 H THR 131 H THR 131 -1.607 0.602 -11.325 1024 HA THR 131 HA THR 131 -0.593 -0.663 -13.641 1025 HB THR 131 HB THR 131 0.889 1.455 -11.997 1026 HG1 THR 131 HG1 THR 131 -0.739 2.706 -12.454 1027 HG21 THR 131 HG21 THR 131 2.203 0.484 -13.877 1028 HG22 THR 131 HG22 THR 131 1.791 2.173 -14.174 1029 HG23 THR 131 HG23 THR 131 0.897 0.892 -14.993 1030 H VAL 132 H VAL 132 0.762 -0.371 -10.343 1031 HA VAL 132 HA VAL 132 3.264 -1.601 -10.788 1032 HB VAL 132 HB VAL 132 1.668 -1.356 -8.178 1033 HG11 VAL 132 HG11 VAL 132 4.636 -1.944 -8.548 1034 HG12 VAL 132 HG12 VAL 132 3.422 -3.074 -7.945 1035 HG13 VAL 132 HG13 VAL 132 3.837 -1.639 -7.007 1036 HG21 VAL 132 HG21 VAL 132 2.115 0.801 -9.280 1037 HG22 VAL 132 HG22 VAL 132 3.837 0.432 -9.341 1038 HG23 VAL 132 HG23 VAL 132 3.036 0.657 -7.784 1039 H ILE 133 H ILE 133 0.296 -2.906 -9.322 1040 HA ILE 133 HA ILE 133 1.200 -5.556 -8.903 1041 HB ILE 133 HB ILE 133 -1.580 -4.309 -9.073 1042 HG12 ILE 133 HG12 ILE 133 0.039 -5.296 -6.672 1043 HG13 ILE 133 HG13 ILE 133 -0.165 -3.612 -7.143 1044 HG21 ILE 133 HG21 ILE 133 -1.864 -6.644 -9.728 1045 HG22 ILE 133 HG22 ILE 133 -2.548 -6.373 -8.126 1046 HG23 ILE 133 HG23 ILE 133 -0.989 -7.174 -8.291 1047 HD11 ILE 133 HD11 ILE 133 -1.580 -4.144 -5.286 1048 HD12 ILE 133 HD12 ILE 133 -2.331 -5.464 -6.182 1049 HD13 ILE 133 HD13 ILE 133 -2.563 -3.794 -6.707 1050 H GLY 134 H GLY 134 -0.663 -4.008 -11.499 1051 HA2 GLY 134 HA2 GLY 134 -1.327 -6.186 -13.104 1052 HA3 GLY 134 HA3 GLY 134 -1.112 -4.536 -13.665 1053 H THR 135 H THR 135 1.532 -4.082 -13.321 1054 HA THR 135 HA THR 135 2.762 -5.173 -15.595 1055 HB THR 135 HB THR 135 4.004 -3.757 -13.194 1056 HG1 THR 135 HG1 THR 135 2.296 -2.748 -14.663 1057 HG21 THR 135 HG21 THR 135 5.867 -3.119 -14.682 1058 HG22 THR 135 HG22 THR 135 5.187 -4.093 -15.986 1059 HG23 THR 135 HG23 THR 135 5.787 -4.875 -14.523 1060 H ILE 136 H ILE 136 2.608 -6.370 -12.367 1061 HA ILE 136 HA ILE 136 4.789 -8.285 -12.653 1062 HB ILE 136 HB ILE 136 2.833 -7.824 -10.348 1063 HG12 ILE 136 HG12 ILE 136 5.733 -6.889 -10.602 1064 HG13 ILE 136 HG13 ILE 136 4.332 -5.861 -10.882 1065 HG21 ILE 136 HG21 ILE 136 5.411 -9.440 -10.392 1066 HG22 ILE 136 HG22 ILE 136 3.776 -10.099 -10.302 1067 HG23 ILE 136 HG23 ILE 136 4.410 -9.131 -8.973 1068 HD11 ILE 136 HD11 ILE 136 5.060 -7.188 -8.282 1069 HD12 ILE 136 HD12 ILE 136 3.622 -6.203 -8.568 1070 HD13 ILE 136 HD13 ILE 136 5.225 -5.479 -8.688 1071 H GLU 137 H GLU 137 1.181 -8.269 -12.522 1072 HA GLU 137 HA GLU 137 1.154 -11.219 -12.461 1073 HB2 GLU 137 HB2 GLU 137 -1.262 -10.990 -11.884 1074 HB3 GLU 137 HB3 GLU 137 -0.172 -10.241 -10.740 1075 HG2 GLU 137 HG2 GLU 137 -1.904 -8.724 -10.839 1076 HG3 GLU 137 HG3 GLU 137 -0.747 -8.032 -11.961 1077 H GLU 138 H GLU 138 1.891 -9.803 -14.885 1078 HA GLU 138 HA GLU 138 -0.070 -9.867 -16.900 1079 HB2 GLU 138 HB2 GLU 138 2.930 -10.359 -17.153 1080 HB3 GLU 138 HB3 GLU 138 1.848 -9.962 -18.483 1081 HG2 GLU 138 HG2 GLU 138 1.391 -7.764 -17.437 1082 HG3 GLU 138 HG3 GLU 138 2.512 -8.163 -16.139 1083 H ILE 139 H ILE 139 -1.154 -11.563 -17.726 1084 HA ILE 139 HA ILE 139 0.063 -14.272 -17.732 1085 HB ILE 139 HB ILE 139 -2.359 -15.144 -17.473 1086 HG12 ILE 139 HG12 ILE 139 -2.822 -12.294 -16.464 1087 HG13 ILE 139 HG13 ILE 139 -3.569 -13.020 -17.878 1088 HG21 ILE 139 HG21 ILE 139 -2.217 -15.069 -15.021 1089 HG22 ILE 139 HG22 ILE 139 -1.052 -13.747 -15.117 1090 HG23 ILE 139 HG23 ILE 139 -0.631 -15.342 -15.743 1091 HD11 ILE 139 HD11 ILE 139 -4.018 -13.843 -15.018 1092 HD12 ILE 139 HD12 ILE 139 -4.744 -14.610 -16.430 1093 HD13 ILE 139 HD13 ILE 139 -5.125 -12.932 -16.046 1094 H LYS 140 H LYS 140 0.627 -14.533 -19.747 1095 HA LYS 140 HA LYS 140 -0.780 -13.601 -22.066 1096 HB2 LYS 140 HB2 LYS 140 1.681 -13.837 -21.938 1097 HB3 LYS 140 HB3 LYS 140 1.527 -15.577 -21.726 1098 HG2 LYS 140 HG2 LYS 140 0.636 -15.794 -24.012 1099 HG3 LYS 140 HG3 LYS 140 0.714 -14.045 -24.228 1100 HD2 LYS 140 HD2 LYS 140 3.109 -15.866 -23.737 1101 HD3 LYS 140 HD3 LYS 140 2.643 -15.185 -25.294 1102 HE2 LYS 140 HE2 LYS 140 3.073 -12.932 -24.504 1103 HE3 LYS 140 HE3 LYS 140 3.390 -13.524 -22.870 1104 HZ1 LYS 140 HZ1 LYS 140 5.333 -14.694 -23.700 1105 HZ2 LYS 140 HZ2 LYS 140 5.431 -13.055 -24.097 1106 HZ3 LYS 140 HZ3 LYS 140 5.010 -14.183 -25.281 1107 H SER 141 H SER 141 -2.880 -14.507 -21.700 1108 HA SER 141 HA SER 141 -3.366 -17.060 -22.894 1109 HB2 SER 141 HB2 SER 141 -2.745 -17.723 -20.523 1110 HB3 SER 141 HB3 SER 141 -4.114 -16.774 -19.943 1111 HG SER 141 HG SER 141 -4.328 -19.198 -20.399 Start of MODEL 18 1 H1 MET 1 H1 MET 1 -7.987 59.354 26.640 2 H2 MET 1 H2 MET 1 -6.768 60.428 27.103 3 H3 MET 1 H3 MET 1 -6.802 58.860 27.735 4 HA MET 1 HA MET 1 -6.365 59.586 24.905 5 HB2 MET 1 HB2 MET 1 -4.436 60.123 26.404 6 HB3 MET 1 HB3 MET 1 -4.410 58.460 26.969 7 HG2 MET 1 HG2 MET 1 -3.819 57.704 24.694 8 HG3 MET 1 HG3 MET 1 -3.856 59.377 24.137 9 HE1 MET 1 HE1 MET 1 -1.378 59.421 23.181 10 HE2 MET 1 HE2 MET 1 -1.350 57.685 23.500 11 HE3 MET 1 HE3 MET 1 -0.016 58.703 24.042 12 H GLY 2 H GLY 2 -7.832 58.141 24.057 13 HA2 GLY 2 HA2 GLY 2 -7.592 55.263 24.698 14 HA3 GLY 2 HA3 GLY 2 -8.957 56.049 23.921 15 H HIS 3 H HIS 3 -6.564 53.986 23.321 16 HA HIS 3 HA HIS 3 -6.856 54.143 20.480 17 HB2 HIS 3 HB2 HIS 3 -5.086 55.887 20.794 18 HB3 HIS 3 HB3 HIS 3 -4.058 54.692 21.578 19 HD1 HIS 3 HD1 HIS 3 -2.359 53.703 20.020 20 HD2 HIS 3 HD2 HIS 3 -5.771 54.902 17.979 21 HE1 HIS 3 HE1 HIS 3 -1.924 53.172 17.603 22 HE2 HIS 3 HE2 HIS 3 -4.018 53.867 16.402 23 H HIS 4 H HIS 4 -5.770 52.592 23.350 24 HA HIS 4 HA HIS 4 -4.392 50.377 22.244 25 HB2 HIS 4 HB2 HIS 4 -4.064 51.007 24.571 26 HB3 HIS 4 HB3 HIS 4 -5.764 50.729 24.940 27 HD1 HIS 4 HD1 HIS 4 -6.388 48.396 25.689 28 HD2 HIS 4 HD2 HIS 4 -2.589 48.525 24.001 29 HE1 HIS 4 HE1 HIS 4 -5.398 46.121 26.062 30 HE2 HIS 4 HE2 HIS 4 -3.094 46.231 25.088 31 H HIS 5 H HIS 5 -5.485 49.415 20.636 32 HA HIS 5 HA HIS 5 -7.862 47.780 21.293 33 HB2 HIS 5 HB2 HIS 5 -7.441 49.470 18.794 34 HB3 HIS 5 HB3 HIS 5 -8.621 48.171 18.870 35 HD1 HIS 5 HD1 HIS 5 -10.919 48.882 19.514 36 HD2 HIS 5 HD2 HIS 5 -8.070 51.614 20.809 37 HE1 HIS 5 HE1 HIS 5 -12.204 50.865 20.363 38 HE2 HIS 5 HE2 HIS 5 -10.467 52.440 21.237 39 H HIS 6 H HIS 6 -5.320 48.416 18.867 40 HA HIS 6 HA HIS 6 -3.966 47.186 17.587 41 HB2 HIS 6 HB2 HIS 6 -4.268 45.150 19.835 42 HB3 HIS 6 HB3 HIS 6 -3.156 44.942 18.487 43 HD1 HIS 6 HD1 HIS 6 -3.216 46.172 21.853 44 HD2 HIS 6 HD2 HIS 6 -1.213 47.254 18.367 45 HE1 HIS 6 HE1 HIS 6 -1.263 47.572 22.597 46 HE2 HIS 6 HE2 HIS 6 -0.023 48.131 20.487 47 H HIS 7 H HIS 7 -5.764 47.215 16.007 48 HA HIS 7 HA HIS 7 -7.142 44.722 15.486 49 HB2 HIS 7 HB2 HIS 7 -7.967 45.764 13.422 50 HB3 HIS 7 HB3 HIS 7 -8.184 46.845 14.787 51 HD1 HIS 7 HD1 HIS 7 -6.962 49.112 14.703 52 HD2 HIS 7 HD2 HIS 7 -6.135 46.681 11.434 53 HE1 HIS 7 HE1 HIS 7 -5.801 50.585 13.035 54 HE2 HIS 7 HE2 HIS 7 -5.319 49.108 11.073 55 H HIS 8 H HIS 8 -6.479 43.060 14.249 56 HA HIS 8 HA HIS 8 -4.341 43.259 12.322 57 HB2 HIS 8 HB2 HIS 8 -2.912 41.473 13.502 58 HB3 HIS 8 HB3 HIS 8 -2.875 43.084 14.201 59 HD1 HIS 8 HD1 HIS 8 -3.014 43.089 16.661 60 HD2 HIS 8 HD2 HIS 8 -4.938 39.775 15.048 61 HE1 HIS 8 HE1 HIS 8 -3.786 41.726 18.626 62 HE2 HIS 8 HE2 HIS 8 -4.988 39.760 17.623 63 H SER 9 H SER 9 -7.221 42.388 12.549 64 HA SER 9 HA SER 9 -7.156 39.550 11.903 65 HB2 SER 9 HB2 SER 9 -9.618 39.848 11.511 66 HB3 SER 9 HB3 SER 9 -9.097 40.374 13.107 67 HG SER 9 HG SER 9 -9.651 42.035 10.867 68 H HIS 10 H HIS 10 -6.113 39.147 10.077 69 HA HIS 10 HA HIS 10 -7.331 39.580 7.567 70 HB2 HIS 10 HB2 HIS 10 -5.468 40.781 6.409 71 HB3 HIS 10 HB3 HIS 10 -6.229 41.781 7.638 72 HD1 HIS 10 HD1 HIS 10 -2.978 40.225 6.703 73 HD2 HIS 10 HD2 HIS 10 -4.563 42.388 9.877 74 HE1 HIS 10 HE1 HIS 10 -1.005 40.970 8.060 75 HE2 HIS 10 HE2 HIS 10 -1.980 42.355 9.912 76 H MET 11 H MET 11 -7.078 37.596 6.701 77 HA MET 11 HA MET 11 -4.420 36.491 6.315 78 HB2 MET 11 HB2 MET 11 -5.154 35.458 8.502 79 HB3 MET 11 HB3 MET 11 -6.563 34.789 7.690 80 HG2 MET 11 HG2 MET 11 -5.095 33.431 6.245 81 HG3 MET 11 HG3 MET 11 -3.677 34.119 7.034 82 HE1 MET 11 HE1 MET 11 -3.633 30.442 8.372 83 HE2 MET 11 HE2 MET 11 -2.668 31.726 7.638 84 HE3 MET 11 HE3 MET 11 -4.015 31.004 6.750 85 H GLN 12 H GLN 12 -4.326 35.806 4.238 86 HA GLN 12 HA GLN 12 -6.807 35.055 2.835 87 HB2 GLN 12 HB2 GLN 12 -5.462 35.209 0.738 88 HB3 GLN 12 HB3 GLN 12 -5.527 36.722 1.625 89 HG2 GLN 12 HG2 GLN 12 -3.227 36.376 2.423 90 HG3 GLN 12 HG3 GLN 12 -3.166 34.810 1.610 91 HE21 GLN 12 HE21 GLN 12 -1.396 35.420 0.318 92 HE22 GLN 12 HE22 GLN 12 -1.534 36.559 -0.974 93 H GLU 13 H GLU 13 -7.255 32.985 3.371 94 HA GLU 13 HA GLU 13 -5.263 30.869 2.893 95 HB2 GLU 13 HB2 GLU 13 -6.836 30.659 4.853 96 HB3 GLU 13 HB3 GLU 13 -8.189 30.595 3.724 97 HG2 GLU 13 HG2 GLU 13 -6.973 28.557 2.665 98 HG3 GLU 13 HG3 GLU 13 -5.980 28.553 4.120 99 H LEU 14 H LEU 14 -4.924 30.855 0.712 100 HA LEU 14 HA LEU 14 -6.967 31.085 -1.282 101 HB2 LEU 14 HB2 LEU 14 -4.085 30.108 -1.464 102 HB3 LEU 14 HB3 LEU 14 -5.158 30.206 -2.849 103 HG LEU 14 HG LEU 14 -5.355 32.710 -2.419 104 HD11 LEU 14 HD11 LEU 14 -3.607 33.807 -1.098 105 HD12 LEU 14 HD12 LEU 14 -3.033 32.234 -0.539 106 HD13 LEU 14 HD13 LEU 14 -4.647 32.794 -0.096 107 HD21 LEU 14 HD21 LEU 14 -2.613 31.611 -3.101 108 HD22 LEU 14 HD22 LEU 14 -3.204 33.230 -3.491 109 HD23 LEU 14 HD23 LEU 14 -3.972 31.816 -4.210 110 HA PRO 15 HA PRO 15 -8.040 26.636 -1.405 111 HB2 PRO 15 HB2 PRO 15 -9.634 26.620 -3.594 112 HB3 PRO 15 HB3 PRO 15 -10.138 27.485 -2.126 113 HG2 PRO 15 HG2 PRO 15 -8.948 28.588 -4.644 114 HG3 PRO 15 HG3 PRO 15 -10.298 29.217 -3.673 115 HD2 PRO 15 HD2 PRO 15 -7.695 30.161 -3.497 116 HD3 PRO 15 HD3 PRO 15 -8.894 30.308 -2.198 117 H ASP 16 H ASP 16 -5.465 26.928 -2.016 118 HA ASP 16 HA ASP 16 -4.512 26.605 -4.618 119 HB2 ASP 16 HB2 ASP 16 -3.021 27.193 -2.787 120 HB3 ASP 16 HB3 ASP 16 -3.348 25.677 -1.959 121 H SER 17 H SER 17 -5.073 25.086 -5.999 122 HA SER 17 HA SER 17 -5.996 22.477 -5.145 123 HB2 SER 17 HB2 SER 17 -6.545 22.157 -7.572 124 HB3 SER 17 HB3 SER 17 -7.295 23.595 -6.878 125 HG SER 17 HG SER 17 -4.967 23.503 -8.522 126 H GLY 18 H GLY 18 -4.343 21.202 -4.494 127 HA2 GLY 18 HA2 GLY 18 -1.823 21.001 -5.958 128 HA3 GLY 18 HA3 GLY 18 -2.267 20.132 -4.497 129 H ALA 19 H ALA 19 -0.995 18.664 -6.254 130 HA ALA 19 HA ALA 19 -3.075 16.847 -7.337 131 HB1 ALA 19 HB1 ALA 19 -0.369 17.385 -8.639 132 HB2 ALA 19 HB2 ALA 19 -1.931 17.933 -9.250 133 HB3 ALA 19 HB3 ALA 19 -1.570 16.209 -9.182 134 H LEU 20 H LEU 20 -2.106 14.570 -7.598 135 HA LEU 20 HA LEU 20 -0.809 13.820 -5.113 136 HB2 LEU 20 HB2 LEU 20 -2.674 12.451 -6.115 137 HB3 LEU 20 HB3 LEU 20 -1.630 12.067 -7.476 138 HG LEU 20 HG LEU 20 -0.007 11.007 -5.766 139 HD11 LEU 20 HD11 LEU 20 -0.938 10.326 -3.613 140 HD12 LEU 20 HD12 LEU 20 -2.410 11.239 -3.949 141 HD13 LEU 20 HD13 LEU 20 -0.873 12.081 -3.765 142 HD21 LEU 20 HD21 LEU 20 -1.222 8.889 -5.620 143 HD22 LEU 20 HD22 LEU 20 -1.421 9.614 -7.215 144 HD23 LEU 20 HD23 LEU 20 -2.733 9.708 -6.036 145 H MET 21 H MET 21 1.336 14.656 -5.287 146 HA MET 21 HA MET 21 3.064 12.962 -7.032 147 HB2 MET 21 HB2 MET 21 3.862 15.657 -5.836 148 HB3 MET 21 HB3 MET 21 4.846 14.642 -6.879 149 HG2 MET 21 HG2 MET 21 3.215 15.029 -8.719 150 HG3 MET 21 HG3 MET 21 2.335 16.129 -7.660 151 HE1 MET 21 HE1 MET 21 5.097 17.416 -6.155 152 HE2 MET 21 HE2 MET 21 3.615 18.299 -6.517 153 HE3 MET 21 HE3 MET 21 5.167 18.908 -7.092 154 H LEU 22 H LEU 22 3.493 11.241 -5.703 155 HA LEU 22 HA LEU 22 3.621 11.482 -2.857 156 HB2 LEU 22 HB2 LEU 22 4.404 9.176 -4.690 157 HB3 LEU 22 HB3 LEU 22 4.310 9.064 -2.938 158 HG LEU 22 HG LEU 22 1.950 9.664 -4.771 159 HD11 LEU 22 HD11 LEU 22 2.602 7.108 -3.279 160 HD12 LEU 22 HD12 LEU 22 2.754 7.353 -5.018 161 HD13 LEU 22 HD13 LEU 22 1.166 7.417 -4.261 162 HD21 LEU 22 HD21 LEU 22 2.023 9.180 -1.777 163 HD22 LEU 22 HD22 LEU 22 0.563 9.339 -2.758 164 HD23 LEU 22 HD23 LEU 22 1.660 10.705 -2.587 165 H VAL 23 H VAL 23 5.209 12.589 -2.020 166 HA VAL 23 HA VAL 23 7.996 12.300 -2.960 167 HB VAL 23 HB VAL 23 8.348 14.503 -1.656 168 HG11 VAL 23 HG11 VAL 23 6.463 14.548 -4.056 169 HG12 VAL 23 HG12 VAL 23 8.223 14.428 -4.120 170 HG13 VAL 23 HG13 VAL 23 7.464 15.899 -3.513 171 HG21 VAL 23 HG21 VAL 23 5.294 14.583 -1.719 172 HG22 VAL 23 HG22 VAL 23 6.348 15.921 -1.251 173 HG23 VAL 23 HG23 VAL 23 6.293 14.459 -0.267 174 HA PRO 24 HA PRO 24 8.273 9.548 0.660 175 HB2 PRO 24 HB2 PRO 24 11.218 9.759 -0.033 176 HB3 PRO 24 HB3 PRO 24 10.232 8.309 0.274 177 HG2 PRO 24 HG2 PRO 24 10.900 8.928 -2.209 178 HG3 PRO 24 HG3 PRO 24 9.250 8.358 -1.855 179 HD2 PRO 24 HD2 PRO 24 10.203 11.178 -2.360 180 HD3 PRO 24 HD3 PRO 24 8.729 10.363 -2.933 181 H ASN 25 H ASN 25 7.802 10.784 2.368 182 HA ASN 25 HA ASN 25 9.362 12.930 3.446 183 HB2 ASN 25 HB2 ASN 25 7.735 12.823 5.313 184 HB3 ASN 25 HB3 ASN 25 6.902 12.771 3.765 185 HD21 ASN 25 HD21 ASN 25 5.901 11.888 6.340 186 HD22 ASN 25 HD22 ASN 25 5.528 10.210 6.186 187 H ARG 26 H ARG 26 9.554 12.457 6.143 188 HA ARG 26 HA ARG 26 11.754 10.724 6.567 189 HB2 ARG 26 HB2 ARG 26 9.788 12.043 8.482 190 HB3 ARG 26 HB3 ARG 26 11.048 10.967 9.068 191 HG2 ARG 26 HG2 ARG 26 11.693 13.316 9.308 192 HG3 ARG 26 HG3 ARG 26 12.785 12.461 8.221 193 HD2 ARG 26 HD2 ARG 26 12.226 14.759 7.444 194 HD3 ARG 26 HD3 ARG 26 11.750 13.514 6.283 195 HE ARG 26 HE ARG 26 9.620 14.232 8.077 196 HH11 ARG 26 HH11 ARG 26 11.215 15.271 5.104 197 HH12 ARG 26 HH12 ARG 26 9.823 16.131 4.517 198 HH21 ARG 26 HH21 ARG 26 7.792 15.352 7.288 199 HH22 ARG 26 HH22 ARG 26 7.877 16.177 5.759 200 H GLN 27 H GLN 27 11.791 8.550 6.725 201 HA GLN 27 HA GLN 27 9.612 6.984 6.018 202 HB2 GLN 27 HB2 GLN 27 11.966 6.283 5.675 203 HB3 GLN 27 HB3 GLN 27 12.155 6.050 7.409 204 HG2 GLN 27 HG2 GLN 27 10.519 4.239 7.381 205 HG3 GLN 27 HG3 GLN 27 10.200 4.515 5.672 206 HE21 GLN 27 HE21 GLN 27 13.461 4.547 7.066 207 HE22 GLN 27 HE22 GLN 27 13.987 3.083 6.312 208 H LEU 28 H LEU 28 7.962 6.087 7.094 209 HA LEU 28 HA LEU 28 7.538 6.660 9.889 210 HB2 LEU 28 HB2 LEU 28 5.834 4.809 8.168 211 HB3 LEU 28 HB3 LEU 28 5.344 5.716 9.590 212 HG LEU 28 HG LEU 28 5.929 6.843 6.823 213 HD11 LEU 28 HD11 LEU 28 3.346 6.691 8.399 214 HD12 LEU 28 HD12 LEU 28 3.772 5.725 6.982 215 HD13 LEU 28 HD13 LEU 28 3.553 7.467 6.824 216 HD21 LEU 28 HD21 LEU 28 6.723 8.454 8.474 217 HD22 LEU 28 HD22 LEU 28 5.180 8.382 9.326 218 HD23 LEU 28 HD23 LEU 28 5.257 9.047 7.693 219 H THR 29 H THR 29 7.726 5.227 11.612 220 HA THR 29 HA THR 29 9.041 2.661 11.254 221 HB THR 29 HB THR 29 8.758 2.431 13.731 222 HG1 THR 29 HG1 THR 29 7.750 5.006 14.020 223 HG21 THR 29 HG21 THR 29 10.703 3.709 12.870 224 HG22 THR 29 HG22 THR 29 10.143 4.346 14.417 225 HG23 THR 29 HG23 THR 29 9.746 5.194 12.921 226 H ALA 30 H ALA 30 8.034 0.617 12.064 227 HA ALA 30 HA ALA 30 5.429 0.068 11.146 228 HB1 ALA 30 HB1 ALA 30 7.142 -1.691 11.416 229 HB2 ALA 30 HB2 ALA 30 5.653 -2.121 12.257 230 HB3 ALA 30 HB3 ALA 30 7.046 -1.532 13.170 231 H ASP 31 H ASP 31 6.637 1.006 14.320 232 HA ASP 31 HA ASP 31 4.288 0.746 15.841 233 HB2 ASP 31 HB2 ASP 31 6.655 2.653 16.085 234 HB3 ASP 31 HB3 ASP 31 5.358 2.605 17.274 235 H TYR 32 H TYR 32 5.539 3.520 13.939 236 HA TYR 32 HA TYR 32 3.428 5.291 14.631 237 HB2 TYR 32 HB2 TYR 32 5.651 6.122 13.836 238 HB3 TYR 32 HB3 TYR 32 5.302 5.496 12.222 239 HD1 TYR 32 HD2 TYR 32 3.899 7.800 14.834 240 HD2 TYR 32 HD1 TYR 32 4.172 6.927 10.662 241 HE1 TYR 32 HE2 TYR 32 2.634 9.825 14.328 242 HE2 TYR 32 HE1 TYR 32 2.883 8.965 10.152 243 HH TYR 32 HH TYR 32 1.327 10.473 11.250 244 H PHE 33 H PHE 33 4.057 3.245 11.800 245 HA PHE 33 HA PHE 33 1.934 3.919 10.155 246 HB2 PHE 33 HB2 PHE 33 3.777 2.373 9.493 247 HB3 PHE 33 HB3 PHE 33 3.126 1.127 10.552 248 HD1 PHE 33 HD1 PHE 33 0.883 0.061 9.973 249 HD2 PHE 33 HD2 PHE 33 2.860 2.745 7.300 250 HE1 PHE 33 HE1 PHE 33 -0.549 -0.709 8.137 251 HE2 PHE 33 HE2 PHE 33 1.431 1.958 5.481 252 HZ PHE 33 HZ PHE 33 -0.282 0.242 5.884 253 H GLU 34 H GLU 34 2.072 1.348 12.628 254 HA GLU 34 HA GLU 34 -0.573 0.442 12.457 255 HB2 GLU 34 HB2 GLU 34 1.286 -0.804 13.586 256 HB3 GLU 34 HB3 GLU 34 1.262 0.372 14.898 257 HG2 GLU 34 HG2 GLU 34 -1.199 -0.305 15.262 258 HG3 GLU 34 HG3 GLU 34 -0.887 -1.648 14.166 259 H LYS 35 H LYS 35 0.889 2.974 14.507 260 HA LYS 35 HA LYS 35 -1.330 3.501 16.180 261 HB2 LYS 35 HB2 LYS 35 0.938 4.352 16.693 262 HB3 LYS 35 HB3 LYS 35 0.879 5.400 15.279 263 HG2 LYS 35 HG2 LYS 35 -1.125 6.548 16.338 264 HG3 LYS 35 HG3 LYS 35 -0.799 5.622 17.802 265 HD2 LYS 35 HD2 LYS 35 1.127 7.560 16.467 266 HD3 LYS 35 HD3 LYS 35 0.143 7.926 17.883 267 HE2 LYS 35 HE2 LYS 35 1.351 6.198 19.169 268 HE3 LYS 35 HE3 LYS 35 2.324 5.816 17.743 269 HZ1 LYS 35 HZ1 LYS 35 3.563 7.273 19.158 270 HZ2 LYS 35 HZ2 LYS 35 2.289 8.381 19.243 271 HZ3 LYS 35 HZ3 LYS 35 3.117 8.158 17.786 272 H THR 36 H THR 36 -0.216 5.140 13.225 273 HA THR 36 HA THR 36 -2.320 6.987 12.940 274 HB THR 36 HB THR 36 -0.530 5.836 10.736 275 HG1 THR 36 HG1 THR 36 0.998 6.771 11.844 276 HG21 THR 36 HG21 THR 36 -2.390 7.230 9.842 277 HG22 THR 36 HG22 THR 36 -0.832 8.023 9.627 278 HG23 THR 36 HG23 THR 36 -1.917 8.553 10.914 279 H TRP 37 H TRP 37 -1.869 3.685 11.823 280 HA TRP 37 HA TRP 37 -4.014 3.390 10.036 281 HB2 TRP 37 HB2 TRP 37 -2.113 1.790 10.282 282 HB3 TRP 37 HB3 TRP 37 -2.725 1.303 11.855 283 HD1 TRP 37 HD1 TRP 37 -4.908 -0.312 11.870 284 HE1 TRP 37 HE1 TRP 37 -5.927 -1.822 10.061 285 HE3 TRP 37 HE3 TRP 37 -2.494 1.568 7.774 286 HZ2 TRP 37 HZ2 TRP 37 -5.723 -2.196 7.267 287 HZ3 TRP 37 HZ3 TRP 37 -2.952 0.578 5.566 288 HH2 TRP 37 HH2 TRP 37 -4.535 -1.267 5.319 289 H LEU 38 H LEU 38 -3.804 2.732 13.546 290 HA LEU 38 HA LEU 38 -6.567 1.939 13.776 291 HB2 LEU 38 HB2 LEU 38 -4.478 2.552 15.910 292 HB3 LEU 38 HB3 LEU 38 -6.057 1.839 16.223 293 HG LEU 38 HG LEU 38 -3.850 0.561 14.553 294 HD11 LEU 38 HD11 LEU 38 -3.640 -1.073 16.365 295 HD12 LEU 38 HD12 LEU 38 -4.836 -0.192 17.319 296 HD13 LEU 38 HD13 LEU 38 -3.287 0.559 16.931 297 HD21 LEU 38 HD21 LEU 38 -6.565 -0.557 15.326 298 HD22 LEU 38 HD22 LEU 38 -5.277 -1.445 14.507 299 HD23 LEU 38 HD23 LEU 38 -6.047 -0.082 13.704 300 H SER 39 H SER 39 -4.814 4.938 14.003 301 HA SER 39 HA SER 39 -6.902 6.472 15.240 302 HB2 SER 39 HB2 SER 39 -4.470 7.387 13.626 303 HB3 SER 39 HB3 SER 39 -5.522 8.436 14.584 304 HG SER 39 HG SER 39 -4.360 6.211 15.833 305 H LEU 40 H LEU 40 -6.252 5.380 11.945 306 HA LEU 40 HA LEU 40 -8.226 7.259 10.823 307 HB2 LEU 40 HB2 LEU 40 -6.182 5.480 9.407 308 HB3 LEU 40 HB3 LEU 40 -7.345 6.517 8.595 309 HG LEU 40 HG LEU 40 -5.000 7.415 10.306 310 HD11 LEU 40 HD11 LEU 40 -5.524 7.777 7.346 311 HD12 LEU 40 HD12 LEU 40 -4.379 6.646 8.068 312 HD13 LEU 40 HD13 LEU 40 -4.124 8.380 8.241 313 HD21 LEU 40 HD21 LEU 40 -6.872 8.932 10.707 314 HD22 LEU 40 HD22 LEU 40 -7.097 9.151 8.972 315 HD23 LEU 40 HD23 LEU 40 -5.624 9.734 9.751 316 H LYS 41 H LYS 41 -9.615 6.315 9.138 317 HA LYS 41 HA LYS 41 -10.608 3.584 9.748 318 HB2 LYS 41 HB2 LYS 41 -12.830 4.439 8.897 319 HB3 LYS 41 HB3 LYS 41 -12.273 5.246 10.358 320 HG2 LYS 41 HG2 LYS 41 -11.451 7.139 8.967 321 HG3 LYS 41 HG3 LYS 41 -12.125 6.353 7.538 322 HD2 LYS 41 HD2 LYS 41 -14.390 6.557 8.449 323 HD3 LYS 41 HD3 LYS 41 -13.754 7.195 9.970 324 HE2 LYS 41 HE2 LYS 41 -14.649 9.002 8.564 325 HE3 LYS 41 HE3 LYS 41 -12.910 9.192 8.789 326 HZ1 LYS 41 HZ1 LYS 41 -14.261 8.088 6.382 327 HZ2 LYS 41 HZ2 LYS 41 -12.589 8.197 6.589 328 HZ3 LYS 41 HZ3 LYS 41 -13.521 9.603 6.511 329 H VAL 42 H VAL 42 -11.322 2.304 7.905 330 HA VAL 42 HA VAL 42 -9.589 2.404 5.665 331 HB VAL 42 HB VAL 42 -12.205 0.834 5.920 332 HG11 VAL 42 HG11 VAL 42 -11.383 0.939 3.589 333 HG12 VAL 42 HG12 VAL 42 -11.241 -0.695 4.235 334 HG13 VAL 42 HG13 VAL 42 -9.809 0.330 4.108 335 HG21 VAL 42 HG21 VAL 42 -10.666 0.332 7.787 336 HG22 VAL 42 HG22 VAL 42 -9.379 -0.038 6.638 337 HG23 VAL 42 HG23 VAL 42 -10.822 -1.054 6.705 338 H ALA 43 H ALA 43 -9.703 3.698 3.925 339 HA ALA 43 HA ALA 43 -12.080 5.349 3.411 340 HB1 ALA 43 HB1 ALA 43 -9.341 5.390 2.078 341 HB2 ALA 43 HB2 ALA 43 -9.838 6.392 3.442 342 HB3 ALA 43 HB3 ALA 43 -10.617 6.596 1.873 343 H HIS 44 H HIS 44 -10.072 2.981 1.766 344 HA HIS 44 HA HIS 44 -12.323 2.019 0.176 345 HB2 HIS 44 HB2 HIS 44 -11.213 3.615 -1.328 346 HB3 HIS 44 HB3 HIS 44 -9.635 2.913 -0.990 347 HD2 HIS 44 HD2 HIS 44 -8.940 0.740 -2.557 348 HE1 HIS 44 HE1 HIS 44 -12.634 0.420 -4.573 349 HE2 HIS 44 HE2 HIS 44 -10.206 -0.249 -4.575 350 H GLN 45 H GLN 45 -12.077 -0.162 -0.453 351 HA GLN 45 HA GLN 45 -9.576 -1.558 -0.087 352 HB2 GLN 45 HB2 GLN 45 -10.604 -1.722 2.198 353 HB3 GLN 45 HB3 GLN 45 -12.025 -2.491 1.498 354 HG2 GLN 45 HG2 GLN 45 -10.662 -4.400 0.769 355 HG3 GLN 45 HG3 GLN 45 -9.205 -3.619 1.376 356 HE21 GLN 45 HE21 GLN 45 -12.281 -3.593 3.124 357 HE22 GLN 45 HE22 GLN 45 -11.752 -4.616 4.410 358 H GLN 46 H GLN 46 -9.398 -3.176 -1.551 359 HA GLN 46 HA GLN 46 -11.740 -4.362 -2.847 360 HB2 GLN 46 HB2 GLN 46 -10.985 -3.897 -5.104 361 HB3 GLN 46 HB3 GLN 46 -11.131 -2.369 -4.251 362 HG2 GLN 46 HG2 GLN 46 -8.674 -2.297 -3.962 363 HG3 GLN 46 HG3 GLN 46 -8.536 -3.839 -4.811 364 HE21 GLN 46 HE21 GLN 46 -8.938 -3.885 -7.063 365 HE22 GLN 46 HE22 GLN 46 -8.907 -2.451 -8.022 366 H VAL 47 H VAL 47 -11.329 -6.452 -3.566 367 HA VAL 47 HA VAL 47 -8.632 -7.554 -3.061 368 HB VAL 47 HB VAL 47 -11.250 -9.038 -3.628 369 HG11 VAL 47 HG11 VAL 47 -10.062 -11.053 -2.884 370 HG12 VAL 47 HG12 VAL 47 -8.578 -10.124 -2.660 371 HG13 VAL 47 HG13 VAL 47 -9.257 -10.332 -4.278 372 HG21 VAL 47 HG21 VAL 47 -11.303 -9.602 -1.226 373 HG22 VAL 47 HG22 VAL 47 -11.382 -7.856 -1.466 374 HG23 VAL 47 HG23 VAL 47 -9.871 -8.607 -0.945 375 H LEU 48 H LEU 48 -7.394 -8.290 -4.750 376 HA LEU 48 HA LEU 48 -8.532 -8.431 -7.470 377 HB2 LEU 48 HB2 LEU 48 -5.796 -7.348 -6.651 378 HB3 LEU 48 HB3 LEU 48 -6.214 -7.770 -8.304 379 HG LEU 48 HG LEU 48 -7.441 -5.540 -6.641 380 HD11 LEU 48 HD11 LEU 48 -5.214 -5.020 -7.548 381 HD12 LEU 48 HD12 LEU 48 -6.462 -4.049 -8.323 382 HD13 LEU 48 HD13 LEU 48 -5.767 -5.432 -9.174 383 HD21 LEU 48 HD21 LEU 48 -8.788 -4.988 -8.634 384 HD22 LEU 48 HD22 LEU 48 -9.198 -6.574 -7.987 385 HD23 LEU 48 HD23 LEU 48 -8.200 -6.446 -9.438 386 HA PRO 49 HA PRO 49 -7.105 -12.609 -6.751 387 HB2 PRO 49 HB2 PRO 49 -7.701 -13.729 -9.173 388 HB3 PRO 49 HB3 PRO 49 -8.968 -13.247 -8.026 389 HG2 PRO 49 HG2 PRO 49 -7.989 -11.812 -10.463 390 HG3 PRO 49 HG3 PRO 49 -9.653 -12.024 -9.877 391 HD2 PRO 49 HD2 PRO 49 -8.184 -9.720 -9.482 392 HD3 PRO 49 HD3 PRO 49 -9.496 -10.246 -8.404 393 H TRP 50 H TRP 50 -4.937 -12.946 -6.567 394 HA TRP 50 HA TRP 50 -3.121 -12.108 -8.691 395 HB2 TRP 50 HB2 TRP 50 -2.599 -11.811 -6.179 396 HB3 TRP 50 HB3 TRP 50 -2.307 -13.551 -6.122 397 HD1 TRP 50 HD1 TRP 50 -0.295 -14.446 -7.932 398 HE1 TRP 50 HE1 TRP 50 1.845 -13.257 -8.666 399 HE3 TRP 50 HE3 TRP 50 -1.434 -9.668 -6.471 400 HZ2 TRP 50 HZ2 TRP 50 2.943 -10.667 -8.629 401 HZ3 TRP 50 HZ3 TRP 50 0.230 -7.898 -6.847 402 HH2 TRP 50 HH2 TRP 50 2.373 -8.388 -7.902 403 H ARG 51 H ARG 51 -2.871 -13.448 -10.377 404 HA ARG 51 HA ARG 51 -3.298 -16.369 -10.025 405 HB2 ARG 51 HB2 ARG 51 -4.981 -15.033 -11.333 406 HB3 ARG 51 HB3 ARG 51 -3.726 -14.641 -12.501 407 HG2 ARG 51 HG2 ARG 51 -3.586 -16.943 -13.231 408 HG3 ARG 51 HG3 ARG 51 -4.593 -17.485 -11.881 409 HD2 ARG 51 HD2 ARG 51 -5.491 -15.732 -14.203 410 HD3 ARG 51 HD3 ARG 51 -5.937 -17.421 -13.926 411 HE ARG 51 HE ARG 51 -6.831 -16.334 -11.672 412 HH11 ARG 51 HH11 ARG 51 -7.274 -15.119 -14.969 413 HH12 ARG 51 HH12 ARG 51 -8.776 -14.335 -14.583 414 HH21 ARG 51 HH21 ARG 51 -8.783 -15.294 -11.205 415 HH22 ARG 51 HH22 ARG 51 -9.627 -14.434 -12.459 416 H GLY 52 H GLY 52 -1.399 -17.313 -9.930 417 HA2 GLY 52 HA2 GLY 52 0.374 -18.077 -11.635 418 HA3 GLY 52 HA3 GLY 52 0.902 -16.395 -11.549 419 H GLU 53 H GLU 53 2.733 -16.365 -10.383 420 HA GLU 53 HA GLU 53 2.757 -17.586 -7.679 421 HB2 GLU 53 HB2 GLU 53 5.064 -17.647 -9.696 422 HB3 GLU 53 HB3 GLU 53 5.198 -18.124 -8.006 423 HG2 GLU 53 HG2 GLU 53 3.636 -19.985 -8.378 424 HG3 GLU 53 HG3 GLU 53 3.421 -19.487 -10.056 425 H PHE 54 H PHE 54 2.554 -15.767 -6.516 426 HA PHE 54 HA PHE 54 3.235 -13.169 -7.194 427 HB2 PHE 54 HB2 PHE 54 1.640 -13.588 -5.445 428 HB3 PHE 54 HB3 PHE 54 2.812 -14.484 -4.488 429 HD1 PHE 54 HD2 PHE 54 1.956 -11.087 -5.722 430 HD2 PHE 54 HD1 PHE 54 4.200 -13.356 -2.912 431 HE1 PHE 54 HE2 PHE 54 2.558 -9.015 -4.562 432 HE2 PHE 54 HE1 PHE 54 4.801 -11.291 -1.753 433 HZ PHE 54 HZ PHE 54 3.990 -9.124 -2.572 434 H HIS 55 H HIS 55 5.146 -12.247 -7.505 435 HA HIS 55 HA HIS 55 7.537 -13.063 -5.975 436 HB2 HIS 55 HB2 HIS 55 7.323 -11.301 -8.461 437 HB3 HIS 55 HB3 HIS 55 8.823 -11.766 -7.662 438 HD1 HIS 55 HD1 HIS 55 9.596 -14.270 -7.929 439 HD2 HIS 55 HD2 HIS 55 6.234 -13.245 -10.161 440 HE1 HIS 55 HE1 HIS 55 9.281 -16.132 -9.590 441 HE2 HIS 55 HE2 HIS 55 7.149 -15.570 -10.793 442 HA PRO 56 HA PRO 56 6.539 -9.262 -3.568 443 HB2 PRO 56 HB2 PRO 56 8.212 -9.781 -1.455 444 HB3 PRO 56 HB3 PRO 56 6.632 -10.571 -1.637 445 HG2 PRO 56 HG2 PRO 56 9.348 -11.637 -2.378 446 HG3 PRO 56 HG3 PRO 56 8.033 -12.436 -1.483 447 HD2 PRO 56 HD2 PRO 56 8.419 -12.908 -4.116 448 HD3 PRO 56 HD3 PRO 56 6.787 -12.861 -3.410 449 H ASP 57 H ASP 57 9.546 -10.516 -4.692 450 HA ASP 57 HA ASP 57 11.289 -8.349 -4.179 451 HB2 ASP 57 HB2 ASP 57 11.464 -10.330 -6.502 452 HB3 ASP 57 HB3 ASP 57 12.784 -9.402 -5.804 453 H THR 58 H THR 58 9.411 -9.283 -7.068 454 HA THR 58 HA THR 58 10.171 -7.059 -8.673 455 HB THR 58 HB THR 58 7.670 -8.779 -9.037 456 HG1 THR 58 HG1 THR 58 10.395 -9.306 -9.656 457 HG21 THR 58 HG21 THR 58 9.413 -7.300 -11.047 458 HG22 THR 58 HG22 THR 58 7.781 -6.840 -10.553 459 HG23 THR 58 HG23 THR 58 8.044 -8.339 -11.445 460 H LEU 59 H LEU 59 7.390 -7.790 -6.564 461 HA LEU 59 HA LEU 59 5.841 -5.500 -6.958 462 HB2 LEU 59 HB2 LEU 59 5.126 -7.501 -5.615 463 HB3 LEU 59 HB3 LEU 59 6.239 -7.013 -4.345 464 HG LEU 59 HG LEU 59 4.899 -4.799 -4.226 465 HD11 LEU 59 HD11 LEU 59 3.695 -4.970 -6.351 466 HD12 LEU 59 HD12 LEU 59 2.584 -4.836 -4.993 467 HD13 LEU 59 HD13 LEU 59 2.837 -6.401 -5.771 468 HD21 LEU 59 HD21 LEU 59 3.459 -7.327 -3.414 469 HD22 LEU 59 HD22 LEU 59 3.236 -5.713 -2.735 470 HD23 LEU 59 HD23 LEU 59 4.767 -6.554 -2.515 471 H GLN 60 H GLN 60 8.482 -6.103 -4.657 472 HA GLN 60 HA GLN 60 8.309 -3.714 -3.171 473 HB2 GLN 60 HB2 GLN 60 9.439 -5.901 -2.509 474 HB3 GLN 60 HB3 GLN 60 10.784 -5.466 -3.559 475 HG2 GLN 60 HG2 GLN 60 11.180 -3.448 -2.170 476 HG3 GLN 60 HG3 GLN 60 9.839 -3.929 -1.121 477 HE21 GLN 60 HE21 GLN 60 11.112 -4.183 0.716 478 HE22 GLN 60 HE22 GLN 60 12.275 -5.447 0.893 479 H MET 61 H MET 61 10.513 -4.688 -5.811 480 HA MET 61 HA MET 61 11.992 -2.319 -6.044 481 HB2 MET 61 HB2 MET 61 11.289 -4.386 -8.166 482 HB3 MET 61 HB3 MET 61 12.483 -3.114 -8.396 483 HG2 MET 61 HG2 MET 61 13.860 -4.057 -6.600 484 HG3 MET 61 HG3 MET 61 12.648 -5.308 -6.312 485 HE1 MET 61 HE1 MET 61 14.343 -7.329 -6.615 486 HE2 MET 61 HE2 MET 61 15.637 -6.135 -6.750 487 HE3 MET 61 HE3 MET 61 15.500 -7.426 -7.944 488 H ALA 62 H ALA 62 8.937 -3.299 -7.615 489 HA ALA 62 HA ALA 62 8.692 -1.064 -9.362 490 HB1 ALA 62 HB1 ALA 62 7.518 -3.189 -9.753 491 HB2 ALA 62 HB2 ALA 62 6.371 -1.850 -9.675 492 HB3 ALA 62 HB3 ALA 62 6.551 -2.947 -8.300 493 H LEU 63 H LEU 63 7.539 -1.747 -6.065 494 HA LEU 63 HA LEU 63 5.880 0.462 -5.590 495 HB2 LEU 63 HB2 LEU 63 7.615 -1.131 -3.652 496 HB3 LEU 63 HB3 LEU 63 6.449 0.076 -3.130 497 HG LEU 63 HG LEU 63 5.715 -2.444 -4.671 498 HD11 LEU 63 HD11 LEU 63 5.489 -1.912 -1.697 499 HD12 LEU 63 HD12 LEU 63 6.589 -3.048 -2.480 500 HD13 LEU 63 HD13 LEU 63 4.851 -3.323 -2.544 501 HD21 LEU 63 HD21 LEU 63 4.112 -0.623 -5.009 502 HD22 LEU 63 HD22 LEU 63 3.932 -0.439 -3.263 503 HD23 LEU 63 HD23 LEU 63 3.408 -1.927 -4.053 504 H GLN 64 H GLN 64 9.350 0.017 -4.865 505 HA GLN 64 HA GLN 64 9.946 2.566 -3.963 506 HB2 GLN 64 HB2 GLN 64 11.546 0.309 -5.112 507 HB3 GLN 64 HB3 GLN 64 12.330 1.884 -5.117 508 HG2 GLN 64 HG2 GLN 64 12.908 0.561 -3.116 509 HG3 GLN 64 HG3 GLN 64 12.116 2.073 -2.709 510 HE21 GLN 64 HE21 GLN 64 11.838 -1.387 -2.669 511 HE22 GLN 64 HE22 GLN 64 10.447 -1.468 -1.649 512 H VAL 65 H VAL 65 9.744 1.463 -7.387 513 HA VAL 65 HA VAL 65 10.832 3.861 -8.519 514 HB VAL 65 HB VAL 65 9.084 1.708 -9.814 515 HG11 VAL 65 HG11 VAL 65 9.989 2.477 -11.985 516 HG12 VAL 65 HG12 VAL 65 10.841 3.792 -11.173 517 HG13 VAL 65 HG13 VAL 65 9.077 3.758 -11.181 518 HG21 VAL 65 HG21 VAL 65 11.162 0.794 -8.873 519 HG22 VAL 65 HG22 VAL 65 12.112 1.977 -9.771 520 HG23 VAL 65 HG23 VAL 65 11.194 0.740 -10.635 521 H VAL 66 H VAL 66 7.629 2.936 -7.438 522 HA VAL 66 HA VAL 66 6.450 5.417 -8.549 523 HB VAL 66 HB VAL 66 4.244 4.415 -8.093 524 HG11 VAL 66 HG11 VAL 66 5.240 4.029 -10.300 525 HG12 VAL 66 HG12 VAL 66 4.273 2.641 -9.805 526 HG13 VAL 66 HG13 VAL 66 6.033 2.563 -9.711 527 HG21 VAL 66 HG21 VAL 66 4.854 3.030 -6.136 528 HG22 VAL 66 HG22 VAL 66 5.738 1.927 -7.185 529 HG23 VAL 66 HG23 VAL 66 3.989 2.089 -7.349 530 H ASN 67 H ASN 67 8.144 4.820 -5.954 531 HA ASN 67 HA ASN 67 8.496 6.010 -4.045 532 HB2 ASN 67 HB2 ASN 67 6.205 7.757 -5.060 533 HB3 ASN 67 HB3 ASN 67 7.290 8.189 -3.743 534 HD21 ASN 67 HD21 ASN 67 9.268 9.097 -4.253 535 HD22 ASN 67 HD22 ASN 67 9.818 9.390 -5.858 536 H ILE 68 H ILE 68 6.490 3.773 -4.037 537 HA ILE 68 HA ILE 68 4.761 4.420 -1.760 538 HB ILE 68 HB ILE 68 5.088 1.825 -3.336 539 HG12 ILE 68 HG12 ILE 68 4.002 3.652 -4.635 540 HG13 ILE 68 HG13 ILE 68 2.893 2.325 -4.318 541 HG21 ILE 68 HG21 ILE 68 3.041 1.048 -2.145 542 HG22 ILE 68 HG22 ILE 68 3.105 2.487 -1.122 543 HG23 ILE 68 HG23 ILE 68 4.405 1.295 -1.054 544 HD11 ILE 68 HD11 ILE 68 2.967 4.976 -2.887 545 HD12 ILE 68 HD12 ILE 68 1.870 3.647 -2.509 546 HD13 ILE 68 HD13 ILE 68 1.781 4.445 -4.078 547 H GLN 69 H GLN 69 5.825 4.500 0.063 548 HA GLN 69 HA GLN 69 8.351 3.336 0.650 549 HB2 GLN 69 HB2 GLN 69 7.527 5.508 1.506 550 HB3 GLN 69 HB3 GLN 69 6.259 4.689 2.410 551 HG2 GLN 69 HG2 GLN 69 7.891 3.701 3.902 552 HG3 GLN 69 HG3 GLN 69 9.225 4.333 2.931 553 HE21 GLN 69 HE21 GLN 69 6.632 5.204 5.141 554 HE22 GLN 69 HE22 GLN 69 7.208 6.798 5.486 555 H THR 70 H THR 70 8.805 1.339 1.542 556 HA THR 70 HA THR 70 6.555 -0.433 2.249 557 HB THR 70 HB THR 70 9.475 -1.115 1.643 558 HG1 THR 70 HG1 THR 70 8.097 -0.310 -0.148 559 HG21 THR 70 HG21 THR 70 8.670 -3.448 1.448 560 HG22 THR 70 HG22 THR 70 7.060 -2.942 1.964 561 HG23 THR 70 HG23 THR 70 8.426 -2.825 3.079 562 H ILE 71 H ILE 71 6.091 -0.281 4.356 563 HA ILE 71 HA ILE 71 8.046 0.380 6.409 564 HB ILE 71 HB ILE 71 5.090 -0.360 6.674 565 HG12 ILE 71 HG12 ILE 71 5.304 1.621 5.266 566 HG13 ILE 71 HG13 ILE 71 4.699 2.113 6.841 567 HG21 ILE 71 HG21 ILE 71 5.197 0.751 8.879 568 HG22 ILE 71 HG22 ILE 71 6.933 1.000 8.683 569 HG23 ILE 71 HG23 ILE 71 6.283 -0.637 8.798 570 HD11 ILE 71 HD11 ILE 71 7.515 2.439 5.808 571 HD12 ILE 71 HD12 ILE 71 6.980 2.878 7.432 572 HD13 ILE 71 HD13 ILE 71 6.308 3.705 6.028 573 H ALA 72 H ALA 72 5.904 -2.363 5.612 574 HA ALA 72 HA ALA 72 7.890 -4.255 6.679 575 HB1 ALA 72 HB1 ALA 72 6.126 -5.580 7.814 576 HB2 ALA 72 HB2 ALA 72 4.924 -4.354 7.395 577 HB3 ALA 72 HB3 ALA 72 6.241 -3.957 8.498 578 H MET 73 H MET 73 7.708 -6.354 5.758 579 HA MET 73 HA MET 73 5.822 -6.952 3.658 580 HB2 MET 73 HB2 MET 73 7.399 -5.604 2.358 581 HB3 MET 73 HB3 MET 73 8.774 -6.489 2.999 582 HG2 MET 73 HG2 MET 73 8.267 -8.413 1.706 583 HG3 MET 73 HG3 MET 73 6.639 -7.856 1.358 584 HE1 MET 73 HE1 MET 73 6.015 -6.083 -0.490 585 HE2 MET 73 HE2 MET 73 7.210 -5.059 -1.285 586 HE3 MET 73 HE3 MET 73 6.927 -4.892 0.446 587 H SER 74 H SER 74 5.388 -9.054 3.895 588 HA SER 74 HA SER 74 6.853 -10.767 5.655 589 HB2 SER 74 HB2 SER 74 4.406 -10.956 5.484 590 HB3 SER 74 HB3 SER 74 4.522 -11.363 3.777 591 HG SER 74 HG SER 74 4.611 -13.352 4.454 592 H ARG 75 H ARG 75 7.437 -13.042 4.891 593 HA ARG 75 HA ARG 75 9.514 -12.637 2.887 594 HB2 ARG 75 HB2 ARG 75 8.989 -14.925 4.833 595 HB3 ARG 75 HB3 ARG 75 10.433 -14.746 3.836 596 HG2 ARG 75 HG2 ARG 75 10.976 -12.625 4.999 597 HG3 ARG 75 HG3 ARG 75 9.534 -12.808 6.000 598 HD2 ARG 75 HD2 ARG 75 10.507 -14.965 6.872 599 HD3 ARG 75 HD3 ARG 75 11.981 -14.600 5.971 600 HE ARG 75 HE ARG 75 12.457 -12.833 7.443 601 HH11 ARG 75 HH11 ARG 75 9.461 -14.421 8.352 602 HH12 ARG 75 HH12 ARG 75 9.440 -13.732 9.949 603 HH21 ARG 75 HH21 ARG 75 12.434 -11.948 9.542 604 HH22 ARG 75 HH22 ARG 75 11.127 -12.330 10.624 605 H ALA 76 H ALA 76 9.879 -14.066 1.152 606 HA ALA 76 HA ALA 76 7.586 -14.729 -0.386 607 HB1 ALA 76 HB1 ALA 76 10.495 -15.459 -0.880 608 HB2 ALA 76 HB2 ALA 76 9.722 -13.956 -1.376 609 HB3 ALA 76 HB3 ALA 76 9.200 -15.486 -2.082 610 H GLY 77 H GLY 77 6.451 -16.602 -0.491 611 HA2 GLY 77 HA2 GLY 77 6.127 -18.943 -0.445 612 HA3 GLY 77 HA3 GLY 77 7.579 -19.140 0.522 613 H SER 78 H SER 78 6.433 -16.753 2.210 614 HA SER 78 HA SER 78 5.139 -18.424 4.183 615 HB2 SER 78 HB2 SER 78 6.771 -16.695 4.876 616 HB3 SER 78 HB3 SER 78 5.737 -15.424 4.222 617 HG SER 78 HG SER 78 4.618 -17.193 6.067 618 H ARG 79 H ARG 79 3.020 -18.823 4.187 619 HA ARG 79 HA ARG 79 1.072 -16.822 3.188 620 HB2 ARG 79 HB2 ARG 79 0.983 -19.856 3.180 621 HB3 ARG 79 HB3 ARG 79 -0.508 -18.927 3.143 622 HG2 ARG 79 HG2 ARG 79 0.007 -19.536 0.891 623 HG3 ARG 79 HG3 ARG 79 0.303 -17.807 1.048 624 HD2 ARG 79 HD2 ARG 79 2.740 -18.281 1.277 625 HD3 ARG 79 HD3 ARG 79 2.410 -19.999 1.039 626 HE ARG 79 HE ARG 79 1.430 -18.281 -1.066 627 HH11 ARG 79 HH11 ARG 79 4.169 -20.189 0.028 628 HH12 ARG 79 HH12 ARG 79 4.847 -20.340 -1.562 629 HH21 ARG 79 HH21 ARG 79 2.330 -18.480 -3.132 630 HH22 ARG 79 HH22 ARG 79 3.802 -19.372 -3.352 631 HA PRO 80 HA PRO 80 -0.733 -15.895 3.578 632 HB2 PRO 80 HB2 PRO 80 -2.003 -13.982 4.969 633 HB3 PRO 80 HB3 PRO 80 -2.635 -15.638 4.937 634 HG2 PRO 80 HG2 PRO 80 -1.132 -14.243 7.108 635 HG3 PRO 80 HG3 PRO 80 -2.488 -15.384 7.229 636 HD2 PRO 80 HD2 PRO 80 0.254 -16.037 7.514 637 HD3 PRO 80 HD3 PRO 80 -1.076 -17.193 7.287 638 H TRP 81 H TRP 81 0.290 -14.300 2.473 639 HA TRP 81 HA TRP 81 2.661 -13.066 3.598 640 HB2 TRP 81 HB2 TRP 81 2.647 -13.971 1.276 641 HB3 TRP 81 HB3 TRP 81 1.434 -12.784 0.813 642 HD1 TRP 81 HD1 TRP 81 5.185 -13.131 1.483 643 HE1 TRP 81 HE1 TRP 81 6.374 -10.962 0.783 644 HE3 TRP 81 HE3 TRP 81 1.094 -10.201 0.548 645 HZ2 TRP 81 HZ2 TRP 81 5.683 -8.380 -0.069 646 HZ3 TRP 81 HZ3 TRP 81 1.452 -7.898 -0.221 647 HH2 TRP 81 HH2 TRP 81 3.702 -7.007 -0.519 648 H LYS 82 H LYS 82 2.465 -11.244 4.798 649 HA LYS 82 HA LYS 82 0.366 -9.249 4.169 650 HB2 LYS 82 HB2 LYS 82 0.226 -10.210 6.426 651 HB3 LYS 82 HB3 LYS 82 1.918 -9.840 6.731 652 HG2 LYS 82 HG2 LYS 82 0.553 -8.225 7.892 653 HG3 LYS 82 HG3 LYS 82 1.386 -7.411 6.570 654 HD2 LYS 82 HD2 LYS 82 -0.824 -6.561 6.523 655 HD3 LYS 82 HD3 LYS 82 -0.766 -7.728 5.202 656 HE2 LYS 82 HE2 LYS 82 -2.846 -8.029 6.382 657 HE3 LYS 82 HE3 LYS 82 -1.822 -9.414 6.765 658 HZ1 LYS 82 HZ1 LYS 82 -2.222 -7.022 8.482 659 HZ2 LYS 82 HZ2 LYS 82 -1.251 -8.354 8.863 660 HZ3 LYS 82 HZ3 LYS 82 -2.925 -8.541 8.727 661 H ALA 83 H ALA 83 0.959 -7.075 3.815 662 HA ALA 83 HA ALA 83 3.687 -6.205 4.425 663 HB1 ALA 83 HB1 ALA 83 2.461 -5.782 1.673 664 HB2 ALA 83 HB2 ALA 83 3.864 -6.786 2.058 665 HB3 ALA 83 HB3 ALA 83 3.953 -5.039 2.265 666 H TYR 84 H TYR 84 3.787 -4.160 5.080 667 HA TYR 84 HA TYR 84 1.349 -2.491 5.087 668 HB2 TYR 84 HB2 TYR 84 3.701 -2.628 7.041 669 HB3 TYR 84 HB3 TYR 84 2.424 -1.408 7.119 670 HD1 TYR 84 HD1 TYR 84 -0.055 -2.585 6.846 671 HD2 TYR 84 HD2 TYR 84 3.382 -4.410 8.617 672 HE1 TYR 84 HE1 TYR 84 -1.502 -4.108 8.078 673 HE2 TYR 84 HE2 TYR 84 1.908 -5.943 9.864 674 HH TYR 84 HH TYR 84 -0.433 -6.021 10.648 675 H LEU 85 H LEU 85 1.462 -1.009 3.570 676 HA LEU 85 HA LEU 85 4.038 0.194 2.725 677 HB2 LEU 85 HB2 LEU 85 1.438 -0.054 1.147 678 HB3 LEU 85 HB3 LEU 85 2.971 0.556 0.547 679 HG LEU 85 HG LEU 85 2.364 -2.323 1.313 680 HD11 LEU 85 HD11 LEU 85 2.844 -1.048 -1.401 681 HD12 LEU 85 HD12 LEU 85 1.308 -1.664 -0.783 682 HD13 LEU 85 HD13 LEU 85 2.637 -2.775 -1.096 683 HD21 LEU 85 HD21 LEU 85 4.955 -1.131 0.267 684 HD22 LEU 85 HD22 LEU 85 4.619 -2.856 0.437 685 HD23 LEU 85 HD23 LEU 85 4.686 -1.831 1.867 686 H SER 86 H SER 86 4.023 2.470 2.388 687 HA SER 86 HA SER 86 1.645 4.020 3.116 688 HB2 SER 86 HB2 SER 86 2.948 5.431 4.697 689 HB3 SER 86 HB3 SER 86 2.913 3.754 5.247 690 HG SER 86 HG SER 86 5.007 3.760 3.845 691 H ALA 87 H ALA 87 1.827 6.239 2.436 692 HA ALA 87 HA ALA 87 4.233 7.153 1.072 693 HB1 ALA 87 HB1 ALA 87 2.994 6.010 -0.743 694 HB2 ALA 87 HB2 ALA 87 3.033 7.751 -1.011 695 HB3 ALA 87 HB3 ALA 87 1.563 6.988 -0.398 696 H GLN 88 H GLN 88 3.956 9.500 0.455 697 HA GLN 88 HA GLN 88 1.718 10.954 1.621 698 HB2 GLN 88 HB2 GLN 88 3.407 10.754 3.499 699 HB3 GLN 88 HB3 GLN 88 4.585 11.586 2.487 700 HG2 GLN 88 HG2 GLN 88 3.024 13.562 2.412 701 HG3 GLN 88 HG3 GLN 88 1.982 12.729 3.566 702 HE21 GLN 88 HE21 GLN 88 4.995 14.385 3.107 703 HE22 GLN 88 HE22 GLN 88 5.399 14.560 4.776 704 H ASP 89 H ASP 89 1.200 12.605 0.241 705 HA ASP 89 HA ASP 89 3.123 13.190 -1.932 706 HB2 ASP 89 HB2 ASP 89 1.295 13.653 -3.354 707 HB3 ASP 89 HB3 ASP 89 0.775 12.258 -2.423 708 H ASP 90 H ASP 90 2.624 15.499 -2.903 709 HA ASP 90 HA ASP 90 3.731 17.351 -1.083 710 HB2 ASP 90 HB2 ASP 90 3.535 18.998 -2.907 711 HB3 ASP 90 HB3 ASP 90 4.109 17.452 -3.520 712 H THR 91 H THR 91 0.302 16.737 -1.806 713 HA THR 91 HA THR 91 -0.634 19.243 -0.706 714 HB THR 91 HB THR 91 -2.879 18.397 -0.823 715 HG1 THR 91 HG1 THR 91 -2.076 15.763 -1.435 716 HG21 THR 91 HG21 THR 91 -3.075 17.601 -3.149 717 HG22 THR 91 HG22 THR 91 -1.359 17.201 -3.175 718 HG23 THR 91 HG23 THR 91 -1.870 18.887 -3.040 719 H GLY 92 H GLY 92 0.605 16.369 0.634 720 HA2 GLY 92 HA2 GLY 92 1.422 16.331 2.843 721 HA3 GLY 92 HA3 GLY 92 0.117 17.388 3.357 722 H CYS 93 H CYS 93 -1.136 14.960 1.362 723 HA CYS 93 HA CYS 93 -2.548 13.797 3.552 724 HB2 CYS 93 HB2 CYS 93 -3.641 14.072 1.369 725 HB3 CYS 93 HB3 CYS 93 -2.489 12.965 0.622 726 HG CYS 93 HG CYS 93 -5.057 11.797 1.010 727 H LEU 94 H LEU 94 -2.086 12.030 4.713 728 HA LEU 94 HA LEU 94 0.307 10.429 4.091 729 HB2 LEU 94 HB2 LEU 94 -0.260 11.600 6.381 730 HB3 LEU 94 HB3 LEU 94 -1.361 10.263 6.637 731 HG LEU 94 HG LEU 94 0.827 9.996 7.812 732 HD11 LEU 94 HD11 LEU 94 0.397 7.849 5.718 733 HD12 LEU 94 HD12 LEU 94 -0.456 7.985 7.256 734 HD13 LEU 94 HD13 LEU 94 1.277 7.677 7.241 735 HD21 LEU 94 HD21 LEU 94 2.065 9.790 5.044 736 HD22 LEU 94 HD22 LEU 94 2.892 9.515 6.580 737 HD23 LEU 94 HD23 LEU 94 2.286 11.120 6.184 738 H PHE 95 H PHE 95 0.012 8.529 3.097 739 HA PHE 95 HA PHE 95 -2.656 7.265 2.914 740 HB2 PHE 95 HB2 PHE 95 -0.209 6.976 1.099 741 HB3 PHE 95 HB3 PHE 95 -1.763 6.184 0.850 742 HD1 PHE 95 HD2 PHE 95 0.053 9.402 0.668 743 HD2 PHE 95 HD1 PHE 95 -3.692 7.436 0.003 744 HE1 PHE 95 HE2 PHE 95 -0.745 11.342 -0.623 745 HE2 PHE 95 HE1 PHE 95 -4.474 9.381 -1.286 746 HZ PHE 95 HZ PHE 95 -3.004 11.330 -1.590 747 H LEU 96 H LEU 96 -2.937 5.287 3.802 748 HA LEU 96 HA LEU 96 -0.599 3.595 4.483 749 HB2 LEU 96 HB2 LEU 96 -3.280 3.810 5.908 750 HB3 LEU 96 HB3 LEU 96 -1.953 2.756 6.379 751 HG LEU 96 HG LEU 96 -1.783 5.793 6.391 752 HD11 LEU 96 HD11 LEU 96 -2.301 3.933 8.717 753 HD12 LEU 96 HD12 LEU 96 -3.467 5.038 7.984 754 HD13 LEU 96 HD13 LEU 96 -2.049 5.678 8.801 755 HD21 LEU 96 HD21 LEU 96 0.214 5.484 7.764 756 HD22 LEU 96 HD22 LEU 96 0.403 4.713 6.192 757 HD23 LEU 96 HD23 LEU 96 0.064 3.731 7.620 758 H THR 97 H THR 97 -0.598 1.699 3.473 759 HA THR 97 HA THR 97 -3.054 0.493 2.381 760 HB THR 97 HB THR 97 -0.277 0.369 1.109 761 HG1 THR 97 HG1 THR 97 -2.336 2.223 0.928 762 HG21 THR 97 HG21 THR 97 -3.002 -0.398 -0.031 763 HG22 THR 97 HG22 THR 97 -1.744 -1.537 0.457 764 HG23 THR 97 HG23 THR 97 -1.469 -0.442 -0.899 765 H GLU 98 H GLU 98 -3.280 -1.697 2.613 766 HA GLU 98 HA GLU 98 -1.067 -3.310 3.756 767 HB2 GLU 98 HB2 GLU 98 -2.729 -2.837 5.498 768 HB3 GLU 98 HB3 GLU 98 -4.031 -3.393 4.457 769 HG2 GLU 98 HG2 GLU 98 -3.024 -5.682 4.497 770 HG3 GLU 98 HG3 GLU 98 -1.815 -5.093 5.639 771 H LEU 99 H LEU 99 -0.534 -4.900 2.378 772 HA LEU 99 HA LEU 99 -2.525 -6.001 0.479 773 HB2 LEU 99 HB2 LEU 99 0.519 -6.192 0.412 774 HB3 LEU 99 HB3 LEU 99 -0.577 -6.832 -0.800 775 HG LEU 99 HG LEU 99 -0.030 -3.891 -0.221 776 HD11 LEU 99 HD11 LEU 99 1.740 -5.018 -1.494 777 HD12 LEU 99 HD12 LEU 99 0.884 -3.858 -2.505 778 HD13 LEU 99 HD13 LEU 99 0.555 -5.586 -2.675 779 HD21 LEU 99 HD21 LEU 99 -2.408 -4.153 -0.771 780 HD22 LEU 99 HD22 LEU 99 -1.991 -5.061 -2.225 781 HD23 LEU 99 HD23 LEU 99 -1.545 -3.358 -2.089 782 H LEU 100 H LEU 100 -3.293 -8.000 0.949 783 HA LEU 100 HA LEU 100 -1.639 -9.844 2.592 784 HB2 LEU 100 HB2 LEU 100 -3.494 -8.918 3.988 785 HB3 LEU 100 HB3 LEU 100 -4.665 -9.522 2.825 786 HG LEU 100 HG LEU 100 -3.934 -11.868 3.313 787 HD11 LEU 100 HD11 LEU 100 -1.625 -11.474 3.961 788 HD12 LEU 100 HD12 LEU 100 -2.470 -12.342 5.238 789 HD13 LEU 100 HD13 LEU 100 -2.144 -10.617 5.414 790 HD21 LEU 100 HD21 LEU 100 -4.939 -12.088 5.529 791 HD22 LEU 100 HD22 LEU 100 -5.840 -10.931 4.552 792 HD23 LEU 100 HD23 LEU 100 -4.747 -10.355 5.812 793 H LEU 101 H LEU 101 -1.238 -11.684 1.541 794 HA LEU 101 HA LEU 101 -2.928 -12.532 -0.725 795 HB2 LEU 101 HB2 LEU 101 -0.538 -12.090 -1.273 796 HB3 LEU 101 HB3 LEU 101 -0.039 -13.241 -0.047 797 HG LEU 101 HG LEU 101 -1.173 -15.072 -1.375 798 HD11 LEU 101 HD11 LEU 101 -2.804 -13.721 -2.613 799 HD12 LEU 101 HD12 LEU 101 -1.803 -14.671 -3.707 800 HD13 LEU 101 HD13 LEU 101 -1.498 -12.943 -3.511 801 HD21 LEU 101 HD21 LEU 101 1.243 -14.695 -1.544 802 HD22 LEU 101 HD22 LEU 101 0.986 -13.517 -2.836 803 HD23 LEU 101 HD23 LEU 101 0.584 -15.218 -3.096 804 H GLU 102 H GLU 102 -4.118 -14.272 -0.353 805 HA GLU 102 HA GLU 102 -4.258 -15.304 2.340 806 HB2 GLU 102 HB2 GLU 102 -5.968 -15.822 -0.124 807 HB3 GLU 102 HB3 GLU 102 -6.385 -16.311 1.518 808 HG2 GLU 102 HG2 GLU 102 -6.464 -13.951 2.224 809 HG3 GLU 102 HG3 GLU 102 -5.982 -13.438 0.609 810 HA PRO 103 HA PRO 103 -2.172 -19.241 1.721 811 HB2 PRO 103 HB2 PRO 103 -3.410 -20.796 3.621 812 HB3 PRO 103 HB3 PRO 103 -2.289 -19.485 4.042 813 HG2 PRO 103 HG2 PRO 103 -5.295 -19.437 3.990 814 HG3 PRO 103 HG3 PRO 103 -4.183 -18.842 5.247 815 HD2 PRO 103 HD2 PRO 103 -5.287 -17.152 3.459 816 HD3 PRO 103 HD3 PRO 103 -3.624 -16.921 4.047 817 H GLY 104 H GLY 104 -2.623 -20.087 -0.275 818 HA2 GLY 104 HA2 GLY 104 -3.403 -21.876 -1.579 819 HA3 GLY 104 HA3 GLY 104 -4.799 -22.061 -0.523 820 H ASN 105 H ASN 105 -6.076 -19.738 -0.489 821 HA ASN 105 HA ASN 105 -7.173 -19.301 -3.090 822 HB2 ASN 105 HB2 ASN 105 -8.458 -18.944 -0.996 823 HB3 ASN 105 HB3 ASN 105 -7.417 -17.610 -0.563 824 HD21 ASN 105 HD21 ASN 105 -7.814 -15.599 -1.486 825 HD22 ASN 105 HD22 ASN 105 -9.165 -15.293 -2.516 826 H SER 106 H SER 106 -6.033 -18.335 -4.635 827 HA SER 106 HA SER 106 -3.766 -16.639 -4.048 828 HB2 SER 106 HB2 SER 106 -3.285 -16.867 -6.452 829 HB3 SER 106 HB3 SER 106 -3.609 -18.445 -5.741 830 HG SER 106 HG SER 106 -5.108 -16.944 -7.566 831 H GLU 107 H GLU 107 -5.324 -15.045 -3.060 832 HA GLU 107 HA GLU 107 -5.848 -12.948 -5.072 833 HB2 GLU 107 HB2 GLU 107 -7.776 -13.624 -2.809 834 HB3 GLU 107 HB3 GLU 107 -7.891 -12.212 -3.855 835 HG2 GLU 107 HG2 GLU 107 -8.090 -13.828 -5.818 836 HG3 GLU 107 HG3 GLU 107 -8.250 -15.115 -4.625 837 H MET 108 H MET 108 -5.510 -10.903 -4.404 838 HA MET 108 HA MET 108 -3.914 -10.489 -1.957 839 HB2 MET 108 HB2 MET 108 -2.653 -10.186 -4.074 840 HB3 MET 108 HB3 MET 108 -3.844 -9.023 -4.641 841 HG2 MET 108 HG2 MET 108 -1.874 -7.855 -3.874 842 HG3 MET 108 HG3 MET 108 -3.199 -7.511 -2.765 843 HE1 MET 108 HE1 MET 108 0.218 -9.233 -3.341 844 HE2 MET 108 HE2 MET 108 -0.769 -10.672 -3.067 845 HE3 MET 108 HE3 MET 108 0.442 -10.195 -1.878 846 H GLN 109 H GLN 109 -4.840 -9.180 -0.482 847 HA GLN 109 HA GLN 109 -7.316 -7.735 -1.134 848 HB2 GLN 109 HB2 GLN 109 -6.152 -8.453 1.599 849 HB3 GLN 109 HB3 GLN 109 -7.765 -7.823 1.275 850 HG2 GLN 109 HG2 GLN 109 -8.324 -9.910 0.063 851 HG3 GLN 109 HG3 GLN 109 -6.715 -10.535 0.416 852 HE21 GLN 109 HE21 GLN 109 -6.684 -9.431 3.165 853 HE22 GLN 109 HE22 GLN 109 -7.736 -10.447 4.074 854 H ILE 110 H ILE 110 -7.125 -5.592 -1.395 855 HA ILE 110 HA ILE 110 -4.698 -4.163 -0.486 856 HB ILE 110 HB ILE 110 -6.705 -3.372 -2.662 857 HG12 ILE 110 HG12 ILE 110 -3.955 -4.654 -3.047 858 HG13 ILE 110 HG13 ILE 110 -5.493 -5.477 -3.279 859 HG21 ILE 110 HG21 ILE 110 -4.986 -1.739 -3.375 860 HG22 ILE 110 HG22 ILE 110 -3.953 -2.231 -2.033 861 HG23 ILE 110 HG23 ILE 110 -5.499 -1.445 -1.711 862 HD11 ILE 110 HD11 ILE 110 -6.024 -3.898 -5.094 863 HD12 ILE 110 HD12 ILE 110 -4.570 -4.848 -5.391 864 HD13 ILE 110 HD13 ILE 110 -4.430 -3.164 -4.888 865 H SER 111 H SER 111 -5.121 -2.971 1.366 866 HA SER 111 HA SER 111 -7.789 -1.681 1.679 867 HB2 SER 111 HB2 SER 111 -7.225 -3.363 3.437 868 HB3 SER 111 HB3 SER 111 -5.764 -2.461 3.839 869 HG SER 111 HG SER 111 -7.827 -2.118 5.101 870 H VAL 112 H VAL 112 -7.591 0.379 0.978 871 HA VAL 112 HA VAL 112 -5.118 1.925 1.502 872 HB VAL 112 HB VAL 112 -7.375 2.607 -0.460 873 HG11 VAL 112 HG11 VAL 112 -4.586 3.780 -0.133 874 HG12 VAL 112 HG12 VAL 112 -6.110 4.566 0.291 875 HG13 VAL 112 HG13 VAL 112 -5.739 4.215 -1.397 876 HG21 VAL 112 HG21 VAL 112 -5.872 1.875 -2.281 877 HG22 VAL 112 HG22 VAL 112 -6.274 0.536 -1.204 878 HG23 VAL 112 HG23 VAL 112 -4.693 1.311 -1.094 879 H LYS 113 H LYS 113 -5.254 3.476 3.027 880 HA LYS 113 HA LYS 113 -7.717 4.923 3.543 881 HB2 LYS 113 HB2 LYS 113 -7.427 4.540 6.067 882 HB3 LYS 113 HB3 LYS 113 -8.094 3.221 5.113 883 HG2 LYS 113 HG2 LYS 113 -5.814 2.169 5.071 884 HG3 LYS 113 HG3 LYS 113 -5.269 3.422 6.189 885 HD2 LYS 113 HD2 LYS 113 -7.549 1.483 6.733 886 HD3 LYS 113 HD3 LYS 113 -5.897 1.279 7.314 887 HE2 LYS 113 HE2 LYS 113 -6.091 3.378 8.594 888 HE3 LYS 113 HE3 LYS 113 -7.745 3.578 8.009 889 HZ1 LYS 113 HZ1 LYS 113 -7.702 2.615 10.217 890 HZ2 LYS 113 HZ2 LYS 113 -6.761 1.323 9.666 891 HZ3 LYS 113 HZ3 LYS 113 -8.343 1.510 9.109 892 H GLN 114 H GLN 114 -7.064 6.881 3.182 893 HA GLN 114 HA GLN 114 -4.453 7.849 4.082 894 HB2 GLN 114 HB2 GLN 114 -4.889 9.764 2.581 895 HB3 GLN 114 HB3 GLN 114 -4.951 8.233 1.732 896 HG2 GLN 114 HG2 GLN 114 -7.522 9.473 2.688 897 HG3 GLN 114 HG3 GLN 114 -6.737 10.122 1.257 898 HE21 GLN 114 HE21 GLN 114 -8.648 9.527 0.121 899 HE22 GLN 114 HE22 GLN 114 -8.909 7.908 -0.389 900 H ASN 115 H ASN 115 -4.372 10.039 4.961 901 HA ASN 115 HA ASN 115 -6.104 10.221 7.270 902 HB2 ASN 115 HB2 ASN 115 -3.650 10.666 7.402 903 HB3 ASN 115 HB3 ASN 115 -3.853 12.067 6.355 904 HD21 ASN 115 HD21 ASN 115 -3.046 13.440 7.937 905 HD22 ASN 115 HD22 ASN 115 -3.941 13.870 9.345 906 H GLU 116 H GLU 116 -5.577 12.008 4.261 907 HA GLU 116 HA GLU 116 -8.057 13.583 4.733 908 HB2 GLU 116 HB2 GLU 116 -5.596 14.475 3.153 909 HB3 GLU 116 HB3 GLU 116 -7.027 15.439 3.513 910 HG2 GLU 116 HG2 GLU 116 -6.460 15.473 5.887 911 HG3 GLU 116 HG3 GLU 116 -5.097 14.392 5.606 912 H ALA 117 H ALA 117 -9.500 12.495 3.468 913 HA ALA 117 HA ALA 117 -8.733 11.067 1.093 914 HB1 ALA 117 HB1 ALA 117 -11.103 10.396 1.054 915 HB2 ALA 117 HB2 ALA 117 -11.457 11.561 2.332 916 HB3 ALA 117 HB3 ALA 117 -10.396 10.190 2.655 917 H ARG 118 H ARG 118 -8.339 12.171 -0.758 918 HA ARG 118 HA ARG 118 -10.440 14.009 -1.786 919 HB2 ARG 118 HB2 ARG 118 -7.567 13.569 -2.725 920 HB3 ARG 118 HB3 ARG 118 -8.719 14.651 -3.498 921 HG2 ARG 118 HG2 ARG 118 -8.657 16.193 -1.731 922 HG3 ARG 118 HG3 ARG 118 -8.019 15.006 -0.601 923 HD2 ARG 118 HD2 ARG 118 -6.373 16.773 -1.359 924 HD3 ARG 118 HD3 ARG 118 -5.840 15.105 -1.565 925 HE ARG 118 HE ARG 118 -6.465 15.330 -3.947 926 HH11 ARG 118 HH11 ARG 118 -5.778 18.284 -2.155 927 HH12 ARG 118 HH12 ARG 118 -5.342 19.161 -3.588 928 HH21 ARG 118 HH21 ARG 118 -5.860 16.491 -5.764 929 HH22 ARG 118 HH22 ARG 118 -5.387 18.150 -5.613 930 H THR 119 H THR 119 -11.613 13.313 -3.558 931 HA THR 119 HA THR 119 -11.760 10.687 -4.449 932 HB THR 119 HB THR 119 -12.456 13.248 -5.976 933 HG1 THR 119 HG1 THR 119 -14.489 11.699 -4.937 934 HG21 THR 119 HG21 THR 119 -12.312 11.339 -7.549 935 HG22 THR 119 HG22 THR 119 -13.985 11.853 -7.337 936 HG23 THR 119 HG23 THR 119 -13.403 10.403 -6.520 937 H GLU 120 H GLU 120 -9.720 13.349 -5.483 938 HA GLU 120 HA GLU 120 -8.749 12.239 -7.925 939 HB2 GLU 120 HB2 GLU 120 -8.713 14.677 -7.383 940 HB3 GLU 120 HB3 GLU 120 -7.545 14.376 -6.099 941 HG2 GLU 120 HG2 GLU 120 -6.009 13.424 -7.915 942 HG3 GLU 120 HG3 GLU 120 -7.127 14.112 -9.089 943 H THR 121 H THR 121 -7.291 12.600 -4.648 944 HA THR 121 HA THR 121 -4.826 11.382 -5.344 945 HB THR 121 HB THR 121 -4.444 11.209 -2.841 946 HG1 THR 121 HG1 THR 121 -6.205 11.216 -1.689 947 HG21 THR 121 HG21 THR 121 -3.722 13.209 -4.086 948 HG22 THR 121 HG22 THR 121 -4.276 13.635 -2.465 949 HG23 THR 121 HG23 THR 121 -5.317 13.934 -3.857 950 H LEU 122 H LEU 122 -7.758 10.075 -3.749 951 HA LEU 122 HA LEU 122 -6.737 7.553 -3.108 952 HB2 LEU 122 HB2 LEU 122 -8.814 8.496 -2.151 953 HB3 LEU 122 HB3 LEU 122 -9.615 8.343 -3.706 954 HG LEU 122 HG LEU 122 -9.586 5.906 -3.565 955 HD11 LEU 122 HD11 LEU 122 -8.665 4.681 -1.646 956 HD12 LEU 122 HD12 LEU 122 -7.993 6.181 -1.001 957 HD13 LEU 122 HD13 LEU 122 -7.409 5.536 -2.538 958 HD21 LEU 122 HD21 LEU 122 -11.426 7.038 -2.368 959 HD22 LEU 122 HD22 LEU 122 -10.472 7.025 -0.883 960 HD23 LEU 122 HD23 LEU 122 -10.997 5.503 -1.610 961 H ASN 123 H ASN 123 -8.710 8.549 -5.964 962 HA ASN 123 HA ASN 123 -8.792 6.007 -7.218 963 HB2 ASN 123 HB2 ASN 123 -9.060 8.807 -8.403 964 HB3 ASN 123 HB3 ASN 123 -9.309 7.334 -9.341 965 HD21 ASN 123 HD21 ASN 123 -11.444 8.102 -9.738 966 HD22 ASN 123 HD22 ASN 123 -12.689 7.921 -8.554 967 H SER 124 H SER 124 -6.490 8.684 -7.500 968 HA SER 124 HA SER 124 -4.919 7.610 -9.622 969 HB2 SER 124 HB2 SER 124 -4.217 9.675 -7.493 970 HB3 SER 124 HB3 SER 124 -3.252 9.346 -8.938 971 HG SER 124 HG SER 124 -5.983 10.079 -9.075 972 H PHE 125 H PHE 125 -4.754 7.381 -6.096 973 HA PHE 125 HA PHE 125 -2.153 6.234 -5.887 974 HB2 PHE 125 HB2 PHE 125 -3.307 7.471 -4.039 975 HB3 PHE 125 HB3 PHE 125 -4.464 6.156 -3.884 976 HD1 PHE 125 HD2 PHE 125 -0.933 7.153 -3.385 977 HD2 PHE 125 HD1 PHE 125 -3.870 4.125 -2.716 978 HE1 PHE 125 HE2 PHE 125 0.561 6.044 -1.786 979 HE2 PHE 125 HE1 PHE 125 -2.375 3.025 -1.123 980 HZ PHE 125 HZ PHE 125 -0.155 3.979 -0.647 981 H ILE 126 H ILE 126 -5.428 4.886 -5.888 982 HA ILE 126 HA ILE 126 -4.837 2.139 -5.590 983 HB ILE 126 HB ILE 126 -7.158 3.497 -7.049 984 HG12 ILE 126 HG12 ILE 126 -7.188 2.329 -4.224 985 HG13 ILE 126 HG13 ILE 126 -6.853 4.027 -4.547 986 HG21 ILE 126 HG21 ILE 126 -6.949 0.621 -6.090 987 HG22 ILE 126 HG22 ILE 126 -6.938 1.159 -7.770 988 HG23 ILE 126 HG23 ILE 126 -8.386 1.371 -6.785 989 HD11 ILE 126 HD11 ILE 126 -9.403 2.571 -5.233 990 HD12 ILE 126 HD12 ILE 126 -9.058 4.271 -5.569 991 HD13 ILE 126 HD13 ILE 126 -9.155 3.704 -3.902 992 H SER 127 H SER 127 -5.177 4.246 -8.424 993 HA SER 127 HA SER 127 -4.818 2.368 -10.482 994 HB2 SER 127 HB2 SER 127 -5.749 4.615 -10.863 995 HB3 SER 127 HB3 SER 127 -4.202 5.358 -10.461 996 HG SER 127 HG SER 127 -4.403 3.447 -12.530 997 H VAL 128 H VAL 128 -2.477 4.257 -8.583 998 HA VAL 128 HA VAL 128 -0.091 3.553 -9.880 999 HB VAL 128 HB VAL 128 -0.671 4.164 -6.941 1000 HG11 VAL 128 HG11 VAL 128 2.073 3.863 -8.216 1001 HG12 VAL 128 HG12 VAL 128 1.367 2.799 -6.996 1002 HG13 VAL 128 HG13 VAL 128 1.758 4.471 -6.592 1003 HG21 VAL 128 HG21 VAL 128 -1.029 6.047 -8.483 1004 HG22 VAL 128 HG22 VAL 128 0.607 5.864 -9.113 1005 HG23 VAL 128 HG23 VAL 128 0.354 6.356 -7.436 1006 H LEU 129 H LEU 129 -1.658 2.026 -7.032 1007 HA LEU 129 HA LEU 129 -0.007 -0.179 -6.727 1008 HB2 LEU 129 HB2 LEU 129 -2.984 -0.029 -6.137 1009 HB3 LEU 129 HB3 LEU 129 -1.869 -1.209 -5.463 1010 HG LEU 129 HG LEU 129 -1.755 1.790 -4.940 1011 HD11 LEU 129 HD11 LEU 129 -2.540 1.216 -2.672 1012 HD12 LEU 129 HD12 LEU 129 -2.724 -0.469 -3.171 1013 HD13 LEU 129 HD13 LEU 129 -3.717 0.785 -3.915 1014 HD21 LEU 129 HD21 LEU 129 -0.097 1.232 -3.190 1015 HD22 LEU 129 HD22 LEU 129 0.484 0.794 -4.795 1016 HD23 LEU 129 HD23 LEU 129 -0.116 -0.457 -3.703 1017 H GLU 130 H GLU 130 -2.767 0.216 -8.902 1018 HA GLU 130 HA GLU 130 -2.953 -2.520 -9.758 1019 HB2 GLU 130 HB2 GLU 130 -4.025 0.046 -11.000 1020 HB3 GLU 130 HB3 GLU 130 -4.405 -1.572 -11.592 1021 HG2 GLU 130 HG2 GLU 130 -5.437 -2.122 -9.402 1022 HG3 GLU 130 HG3 GLU 130 -5.087 -0.486 -8.843 1023 H THR 131 H THR 131 -1.192 0.310 -10.933 1024 HA THR 131 HA THR 131 -0.157 -0.882 -13.315 1025 HB THR 131 HB THR 131 0.970 1.443 -11.667 1026 HG1 THR 131 HG1 THR 131 -1.260 1.575 -12.624 1027 HG21 THR 131 HG21 THR 131 2.083 2.146 -13.753 1028 HG22 THR 131 HG22 THR 131 1.474 0.716 -14.586 1029 HG23 THR 131 HG23 THR 131 2.644 0.541 -13.278 1030 H VAL 132 H VAL 132 0.898 -0.739 -9.926 1031 HA VAL 132 HA VAL 132 3.485 -1.875 -10.237 1032 HB VAL 132 HB VAL 132 1.698 -1.932 -7.750 1033 HG11 VAL 132 HG11 VAL 132 3.793 -2.241 -6.479 1034 HG12 VAL 132 HG12 VAL 132 4.709 -2.298 -7.983 1035 HG13 VAL 132 HG13 VAL 132 3.546 -3.570 -7.615 1036 HG21 VAL 132 HG21 VAL 132 3.851 0.069 -8.524 1037 HG22 VAL 132 HG22 VAL 132 2.926 0.067 -7.019 1038 HG23 VAL 132 HG23 VAL 132 2.114 0.367 -8.552 1039 H ILE 133 H ILE 133 0.389 -3.318 -9.188 1040 HA ILE 133 HA ILE 133 1.265 -5.994 -8.942 1041 HB ILE 133 HB ILE 133 -1.489 -4.708 -9.249 1042 HG12 ILE 133 HG12 ILE 133 -0.030 -5.984 -6.881 1043 HG13 ILE 133 HG13 ILE 133 -0.428 -4.281 -7.088 1044 HG21 ILE 133 HG21 ILE 133 -1.739 -6.910 -10.267 1045 HG22 ILE 133 HG22 ILE 133 -2.568 -6.868 -8.711 1046 HG23 ILE 133 HG23 ILE 133 -1.011 -7.678 -8.855 1047 HD11 ILE 133 HD11 ILE 133 -1.872 -5.283 -5.459 1048 HD12 ILE 133 HD12 ILE 133 -2.375 -6.529 -6.600 1049 HD13 ILE 133 HD13 ILE 133 -2.814 -4.842 -6.883 1050 H GLY 134 H GLY 134 -0.335 -4.200 -11.547 1051 HA2 GLY 134 HA2 GLY 134 -0.876 -6.197 -13.389 1052 HA3 GLY 134 HA3 GLY 134 -0.605 -4.506 -13.777 1053 H THR 135 H THR 135 2.001 -4.046 -13.289 1054 HA THR 135 HA THR 135 3.237 -5.029 -15.612 1055 HB THR 135 HB THR 135 3.841 -2.853 -14.555 1056 HG1 THR 135 HG1 THR 135 5.374 -4.446 -15.879 1057 HG21 THR 135 HG21 THR 135 5.487 -2.778 -12.719 1058 HG22 THR 135 HG22 THR 135 5.407 -4.533 -12.561 1059 HG23 THR 135 HG23 THR 135 3.990 -3.548 -12.192 1060 H ILE 136 H ILE 136 3.164 -6.406 -12.420 1061 HA ILE 136 HA ILE 136 5.510 -8.079 -12.675 1062 HB ILE 136 HB ILE 136 3.137 -8.349 -10.766 1063 HG12 ILE 136 HG12 ILE 136 5.815 -6.974 -10.232 1064 HG13 ILE 136 HG13 ILE 136 4.343 -6.115 -10.673 1065 HG21 ILE 136 HG21 ILE 136 4.463 -10.427 -10.882 1066 HG22 ILE 136 HG22 ILE 136 4.676 -9.641 -9.318 1067 HG23 ILE 136 HG23 ILE 136 5.942 -9.521 -10.542 1068 HD11 ILE 136 HD11 ILE 136 4.685 -6.010 -8.310 1069 HD12 ILE 136 HD12 ILE 136 4.765 -7.768 -8.198 1070 HD13 ILE 136 HD13 ILE 136 3.254 -6.976 -8.656 1071 H GLU 137 H GLU 137 1.961 -8.596 -12.897 1072 HA GLU 137 HA GLU 137 1.969 -10.574 -14.872 1073 HB2 GLU 137 HB2 GLU 137 1.490 -12.645 -13.504 1074 HB3 GLU 137 HB3 GLU 137 3.143 -12.066 -13.377 1075 HG2 GLU 137 HG2 GLU 137 2.461 -10.939 -11.193 1076 HG3 GLU 137 HG3 GLU 137 0.949 -11.838 -11.293 1077 H GLU 138 H GLU 138 0.374 -8.878 -15.209 1078 HA GLU 138 HA GLU 138 -2.066 -8.720 -13.750 1079 HB2 GLU 138 HB2 GLU 138 -1.153 -7.032 -15.386 1080 HB3 GLU 138 HB3 GLU 138 -1.568 -8.115 -16.700 1081 HG2 GLU 138 HG2 GLU 138 -3.688 -7.137 -14.784 1082 HG3 GLU 138 HG3 GLU 138 -3.139 -6.110 -16.098 1083 H ILE 139 H ILE 139 -4.074 -9.735 -14.160 1084 HA ILE 139 HA ILE 139 -3.889 -12.501 -14.877 1085 HB ILE 139 HB ILE 139 -6.369 -12.579 -14.288 1086 HG12 ILE 139 HG12 ILE 139 -5.949 -9.657 -13.474 1087 HG13 ILE 139 HG13 ILE 139 -6.900 -10.171 -14.858 1088 HG21 ILE 139 HG21 ILE 139 -5.990 -12.312 -11.886 1089 HG22 ILE 139 HG22 ILE 139 -4.558 -11.330 -12.191 1090 HG23 ILE 139 HG23 ILE 139 -4.566 -13.032 -12.642 1091 HD11 ILE 139 HD11 ILE 139 -7.511 -10.782 -11.967 1092 HD12 ILE 139 HD12 ILE 139 -8.465 -11.310 -13.354 1093 HD13 ILE 139 HD13 ILE 139 -8.320 -9.593 -12.987 1094 H LYS 140 H LYS 140 -3.413 -12.685 -17.005 1095 HA LYS 140 HA LYS 140 -4.568 -11.222 -19.141 1096 HB2 LYS 140 HB2 LYS 140 -3.096 -13.883 -19.320 1097 HB3 LYS 140 HB3 LYS 140 -3.276 -12.692 -20.605 1098 HG2 LYS 140 HG2 LYS 140 -1.723 -12.307 -18.030 1099 HG3 LYS 140 HG3 LYS 140 -1.026 -12.635 -19.617 1100 HD2 LYS 140 HD2 LYS 140 -1.846 -10.471 -20.456 1101 HD3 LYS 140 HD3 LYS 140 -2.653 -10.156 -18.914 1102 HE2 LYS 140 HE2 LYS 140 -0.513 -8.934 -19.099 1103 HE3 LYS 140 HE3 LYS 140 -0.487 -10.084 -17.764 1104 HZ1 LYS 140 HZ1 LYS 140 0.758 -11.612 -19.150 1105 HZ2 LYS 140 HZ2 LYS 140 1.567 -10.131 -19.037 1106 HZ3 LYS 140 HZ3 LYS 140 0.713 -10.528 -20.445 1107 H SER 141 H SER 141 -4.771 -14.774 -18.700 1108 HA SER 141 HA SER 141 -7.402 -14.907 -19.954 1109 HB2 SER 141 HB2 SER 141 -5.686 -17.133 -18.746 1110 HB3 SER 141 HB3 SER 141 -7.123 -17.347 -19.749 1111 HG SER 141 HG SER 141 -5.232 -17.545 -20.993 Start of MODEL 19 1 H1 MET 1 H1 MET 1 1.506 70.443 -18.595 2 H2 MET 1 H2 MET 1 1.519 71.506 -19.908 3 H3 MET 1 H3 MET 1 2.944 70.717 -19.451 4 HA MET 1 HA MET 1 0.497 69.442 -20.524 5 HB2 MET 1 HB2 MET 1 1.757 70.688 -22.243 6 HB3 MET 1 HB3 MET 1 3.246 69.874 -21.784 7 HG2 MET 1 HG2 MET 1 2.304 67.732 -22.552 8 HG3 MET 1 HG3 MET 1 0.807 68.549 -22.992 9 HE1 MET 1 HE1 MET 1 2.034 71.333 -24.282 10 HE2 MET 1 HE2 MET 1 0.687 70.437 -24.987 11 HE3 MET 1 HE3 MET 1 2.081 70.859 -25.979 12 H GLY 2 H GLY 2 0.239 67.521 -19.582 13 HA2 GLY 2 HA2 GLY 2 1.696 65.300 -19.729 14 HA3 GLY 2 HA3 GLY 2 2.468 66.094 -18.362 15 H HIS 3 H HIS 3 0.131 63.906 -19.192 16 HA HIS 3 HA HIS 3 -1.309 64.199 -16.612 17 HB2 HIS 3 HB2 HIS 3 -2.082 62.623 -19.112 18 HB3 HIS 3 HB3 HIS 3 -3.006 62.646 -17.610 19 HD1 HIS 3 HD1 HIS 3 -4.494 64.729 -17.185 20 HD2 HIS 3 HD2 HIS 3 -2.310 64.969 -20.715 21 HE1 HIS 3 HE1 HIS 3 -5.473 66.662 -18.455 22 HE2 HIS 3 HE2 HIS 3 -4.185 66.749 -20.610 23 H HIS 4 H HIS 4 -0.662 62.769 -15.043 24 HA HIS 4 HA HIS 4 1.283 60.734 -15.626 25 HB2 HIS 4 HB2 HIS 4 1.267 60.275 -13.174 26 HB3 HIS 4 HB3 HIS 4 1.540 61.963 -13.557 27 HD1 HIS 4 HD1 HIS 4 -0.134 63.654 -12.613 28 HD2 HIS 4 HD2 HIS 4 -1.194 59.714 -11.828 29 HE1 HIS 4 HE1 HIS 4 -1.982 63.778 -10.919 30 HE2 HIS 4 HE2 HIS 4 -2.686 61.402 -10.554 31 H HIS 5 H HIS 5 0.763 58.846 -16.493 32 HA HIS 5 HA HIS 5 -1.542 57.316 -15.469 33 HB2 HIS 5 HB2 HIS 5 -1.950 56.442 -17.781 34 HB3 HIS 5 HB3 HIS 5 -2.237 58.166 -17.641 35 HD1 HIS 5 HD1 HIS 5 -0.422 59.745 -18.765 36 HD2 HIS 5 HD2 HIS 5 -0.119 55.709 -19.726 37 HE1 HIS 5 HE1 HIS 5 1.076 59.642 -20.776 38 HE2 HIS 5 HE2 HIS 5 1.364 57.196 -21.247 39 H HIS 6 H HIS 6 -0.493 55.868 -14.233 40 HA HIS 6 HA HIS 6 1.433 54.023 -15.541 41 HB2 HIS 6 HB2 HIS 6 1.452 54.824 -12.591 42 HB3 HIS 6 HB3 HIS 6 2.574 53.714 -13.378 43 HD1 HIS 6 HD1 HIS 6 2.646 56.961 -12.127 44 HD2 HIS 6 HD2 HIS 6 3.772 55.346 -15.787 45 HE1 HIS 6 HE1 HIS 6 4.219 58.634 -13.148 46 HE2 HIS 6 HE2 HIS 6 4.967 57.583 -15.305 47 H HIS 7 H HIS 7 -1.608 54.149 -15.019 48 HA HIS 7 HA HIS 7 -2.206 51.799 -13.467 49 HB2 HIS 7 HB2 HIS 7 -3.891 53.594 -13.783 50 HB3 HIS 7 HB3 HIS 7 -3.917 53.284 -15.514 51 HD1 HIS 7 HD1 HIS 7 -5.698 51.683 -16.275 52 HD2 HIS 7 HD2 HIS 7 -4.854 51.244 -12.221 53 HE1 HIS 7 HE1 HIS 7 -7.339 49.985 -15.424 54 HE2 HIS 7 HE2 HIS 7 -6.737 49.640 -13.013 55 H HIS 8 H HIS 8 -2.007 49.731 -14.130 56 HA HIS 8 HA HIS 8 -1.631 49.083 -16.967 57 HB2 HIS 8 HB2 HIS 8 0.560 47.985 -16.494 58 HB3 HIS 8 HB3 HIS 8 0.612 49.724 -16.255 59 HD1 HIS 8 HD1 HIS 8 2.511 47.415 -14.976 60 HD2 HIS 8 HD2 HIS 8 -0.436 49.617 -13.045 61 HE1 HIS 8 HE1 HIS 8 3.097 47.339 -12.530 62 HE2 HIS 8 HE2 HIS 8 1.381 48.770 -11.411 63 H SER 9 H SER 9 -3.198 47.617 -17.170 64 HA SER 9 HA SER 9 -3.772 45.687 -15.016 65 HB2 SER 9 HB2 SER 9 -5.348 46.269 -17.560 66 HB3 SER 9 HB3 SER 9 -5.899 45.318 -16.177 67 HG SER 9 HG SER 9 -5.134 48.047 -16.011 68 H HIS 10 H HIS 10 -1.828 44.456 -15.392 69 HA HIS 10 HA HIS 10 -2.021 42.532 -17.656 70 HB2 HIS 10 HB2 HIS 10 0.507 43.405 -16.166 71 HB3 HIS 10 HB3 HIS 10 0.442 42.212 -17.456 72 HD1 HIS 10 HD1 HIS 10 1.149 43.111 -19.640 73 HD2 HIS 10 HD2 HIS 10 -0.464 46.100 -17.248 74 HE1 HIS 10 HE1 HIS 10 1.426 45.237 -20.940 75 HE2 HIS 10 HE2 HIS 10 0.605 47.035 -19.410 76 H MET 11 H MET 11 -3.389 42.477 -15.086 77 HA MET 11 HA MET 11 -2.307 40.777 -13.152 78 HB2 MET 11 HB2 MET 11 -5.217 41.118 -14.015 79 HB3 MET 11 HB3 MET 11 -4.724 40.202 -12.596 80 HG2 MET 11 HG2 MET 11 -5.476 42.380 -11.912 81 HG3 MET 11 HG3 MET 11 -3.738 42.256 -11.644 82 HE1 MET 11 HE1 MET 11 -3.537 44.909 -11.367 83 HE2 MET 11 HE2 MET 11 -5.273 45.098 -11.631 84 HE3 MET 11 HE3 MET 11 -4.128 46.059 -12.566 85 H GLN 12 H GLN 12 -1.257 39.005 -13.858 86 HA GLN 12 HA GLN 12 -2.697 36.957 -15.442 87 HB2 GLN 12 HB2 GLN 12 -0.410 36.186 -16.187 88 HB3 GLN 12 HB3 GLN 12 -0.864 37.775 -16.768 89 HG2 GLN 12 HG2 GLN 12 1.397 38.000 -16.212 90 HG3 GLN 12 HG3 GLN 12 0.556 38.721 -14.847 91 HE21 GLN 12 HE21 GLN 12 2.299 38.440 -13.428 92 HE22 GLN 12 HE22 GLN 12 2.812 36.884 -12.869 93 H GLU 13 H GLU 13 -1.981 34.724 -14.958 94 HA GLU 13 HA GLU 13 -1.664 34.311 -12.048 95 HB2 GLU 13 HB2 GLU 13 -2.917 32.243 -12.275 96 HB3 GLU 13 HB3 GLU 13 -3.847 33.549 -12.986 97 HG2 GLU 13 HG2 GLU 13 -2.249 31.487 -14.540 98 HG3 GLU 13 HG3 GLU 13 -3.987 31.450 -14.287 99 H LEU 14 H LEU 14 -0.462 32.393 -11.401 100 HA LEU 14 HA LEU 14 2.018 32.053 -12.788 101 HB2 LEU 14 HB2 LEU 14 0.795 30.620 -10.391 102 HB3 LEU 14 HB3 LEU 14 2.344 30.147 -11.066 103 HG LEU 14 HG LEU 14 3.189 32.497 -10.598 104 HD11 LEU 14 HD11 LEU 14 0.629 32.772 -9.002 105 HD12 LEU 14 HD12 LEU 14 1.079 33.696 -10.436 106 HD13 LEU 14 HD13 LEU 14 2.008 33.876 -8.952 107 HD21 LEU 14 HD21 LEU 14 3.568 32.078 -8.199 108 HD22 LEU 14 HD22 LEU 14 3.779 30.617 -9.160 109 HD23 LEU 14 HD23 LEU 14 2.306 30.840 -8.213 110 HA PRO 15 HA PRO 15 1.027 28.634 -15.565 111 HB2 PRO 15 HB2 PRO 15 3.309 27.055 -15.403 112 HB3 PRO 15 HB3 PRO 15 3.224 28.556 -16.348 113 HG2 PRO 15 HG2 PRO 15 4.369 28.099 -13.619 114 HG3 PRO 15 HG3 PRO 15 4.995 29.094 -14.953 115 HD2 PRO 15 HD2 PRO 15 3.701 30.184 -12.829 116 HD3 PRO 15 HD3 PRO 15 3.584 30.877 -14.461 117 H ASP 16 H ASP 16 -0.643 27.530 -14.677 118 HA ASP 16 HA ASP 16 -0.735 26.220 -12.201 119 HB2 ASP 16 HB2 ASP 16 -2.739 26.994 -13.491 120 HB3 ASP 16 HB3 ASP 16 -2.493 25.687 -14.639 121 H SER 17 H SER 17 0.659 24.671 -11.716 122 HA SER 17 HA SER 17 0.853 22.230 -13.377 123 HB2 SER 17 HB2 SER 17 3.226 23.607 -12.039 124 HB3 SER 17 HB3 SER 17 3.276 22.144 -13.026 125 HG SER 17 HG SER 17 2.767 24.811 -13.835 126 H GLY 18 H GLY 18 0.145 20.609 -12.131 127 HA2 GLY 18 HA2 GLY 18 1.235 20.000 -9.574 128 HA3 GLY 18 HA3 GLY 18 -0.408 20.618 -9.412 129 H ALA 19 H ALA 19 0.628 17.970 -8.818 130 HA ALA 19 HA ALA 19 -1.470 16.375 -9.981 131 HB1 ALA 19 HB1 ALA 19 1.410 15.597 -10.609 132 HB2 ALA 19 HB2 ALA 19 0.225 16.168 -11.785 133 HB3 ALA 19 HB3 ALA 19 -0.024 14.628 -10.960 134 H LEU 20 H LEU 20 -1.479 14.149 -8.965 135 HA LEU 20 HA LEU 20 -0.779 14.194 -6.192 136 HB2 LEU 20 HB2 LEU 20 -2.666 12.808 -7.178 137 HB3 LEU 20 HB3 LEU 20 -1.467 11.781 -7.938 138 HG LEU 20 HG LEU 20 -0.590 11.315 -5.538 139 HD11 LEU 20 HD11 LEU 20 -3.310 12.417 -4.798 140 HD12 LEU 20 HD12 LEU 20 -1.749 13.140 -4.404 141 HD13 LEU 20 HD13 LEU 20 -2.190 11.579 -3.720 142 HD21 LEU 20 HD21 LEU 20 -3.333 10.252 -6.293 143 HD22 LEU 20 HD22 LEU 20 -2.190 9.501 -5.177 144 HD23 LEU 20 HD23 LEU 20 -1.789 9.635 -6.887 145 H MET 21 H MET 21 1.423 14.429 -5.840 146 HA MET 21 HA MET 21 3.310 12.646 -7.301 147 HB2 MET 21 HB2 MET 21 3.877 15.259 -5.820 148 HB3 MET 21 HB3 MET 21 5.066 14.284 -6.665 149 HG2 MET 21 HG2 MET 21 3.915 14.751 -8.805 150 HG3 MET 21 HG3 MET 21 2.741 15.740 -7.934 151 HE1 MET 21 HE1 MET 21 7.241 16.820 -8.106 152 HE2 MET 21 HE2 MET 21 6.585 15.319 -8.765 153 HE3 MET 21 HE3 MET 21 6.590 15.592 -7.021 154 H LEU 22 H LEU 22 3.357 10.838 -6.053 155 HA LEU 22 HA LEU 22 3.198 10.855 -3.188 156 HB2 LEU 22 HB2 LEU 22 3.925 8.600 -5.122 157 HB3 LEU 22 HB3 LEU 22 3.493 8.394 -3.428 158 HG LEU 22 HG LEU 22 1.613 9.504 -5.548 159 HD11 LEU 22 HD11 LEU 22 0.462 7.336 -5.486 160 HD12 LEU 22 HD12 LEU 22 1.696 6.700 -4.397 161 HD13 LEU 22 HD13 LEU 22 2.126 7.166 -6.045 162 HD21 LEU 22 HD21 LEU 22 1.073 8.664 -2.683 163 HD22 LEU 22 HD22 LEU 22 -0.151 9.152 -3.859 164 HD23 LEU 22 HD23 LEU 22 1.058 10.312 -3.320 165 H VAL 23 H VAL 23 4.916 11.589 -2.049 166 HA VAL 23 HA VAL 23 7.649 10.731 -2.826 167 HB VAL 23 HB VAL 23 8.578 12.735 -1.871 168 HG11 VAL 23 HG11 VAL 23 6.109 13.577 -3.450 169 HG12 VAL 23 HG12 VAL 23 7.643 13.031 -4.136 170 HG13 VAL 23 HG13 VAL 23 7.576 14.539 -3.224 171 HG21 VAL 23 HG21 VAL 23 7.154 12.959 0.141 172 HG22 VAL 23 HG22 VAL 23 5.833 13.563 -0.862 173 HG23 VAL 23 HG23 VAL 23 7.324 14.494 -0.713 174 HA PRO 24 HA PRO 24 7.571 8.179 0.899 175 HB2 PRO 24 HB2 PRO 24 10.537 8.683 1.008 176 HB3 PRO 24 HB3 PRO 24 9.650 7.143 0.960 177 HG2 PRO 24 HG2 PRO 24 10.944 8.007 -1.190 178 HG3 PRO 24 HG3 PRO 24 9.360 7.210 -1.351 179 HD2 PRO 24 HD2 PRO 24 10.026 10.145 -1.484 180 HD3 PRO 24 HD3 PRO 24 8.901 9.196 -2.484 181 H ASN 25 H ASN 25 9.835 10.943 1.023 182 HA ASN 25 HA ASN 25 10.090 12.752 2.313 183 HB2 ASN 25 HB2 ASN 25 7.677 13.075 1.788 184 HB3 ASN 25 HB3 ASN 25 7.238 12.212 3.251 185 HD21 ASN 25 HD21 ASN 25 8.545 15.187 1.960 186 HD22 ASN 25 HD22 ASN 25 8.438 16.104 3.420 187 H ARG 26 H ARG 26 8.005 11.194 4.704 188 HA ARG 26 HA ARG 26 10.291 10.907 6.563 189 HB2 ARG 26 HB2 ARG 26 7.300 10.974 7.191 190 HB3 ARG 26 HB3 ARG 26 8.587 10.805 8.380 191 HG2 ARG 26 HG2 ARG 26 8.078 13.225 6.631 192 HG3 ARG 26 HG3 ARG 26 7.708 13.091 8.348 193 HD2 ARG 26 HD2 ARG 26 10.115 12.873 8.848 194 HD3 ARG 26 HD3 ARG 26 10.490 12.981 7.124 195 HE ARG 26 HE ARG 26 9.041 15.246 7.721 196 HH11 ARG 26 HH11 ARG 26 12.109 13.874 8.752 197 HH12 ARG 26 HH12 ARG 26 12.817 15.419 9.097 198 HH21 ARG 26 HH21 ARG 26 9.974 17.263 8.185 199 HH22 ARG 26 HH22 ARG 26 11.605 17.341 8.778 200 H GLN 27 H GLN 27 11.028 8.884 6.894 201 HA GLN 27 HA GLN 27 9.571 6.529 6.055 202 HB2 GLN 27 HB2 GLN 27 11.558 5.284 7.034 203 HB3 GLN 27 HB3 GLN 27 11.942 6.415 5.743 204 HG2 GLN 27 HG2 GLN 27 12.690 8.063 7.431 205 HG3 GLN 27 HG3 GLN 27 12.359 6.898 8.707 206 HE21 GLN 27 HE21 GLN 27 13.414 4.599 7.204 207 HE22 GLN 27 HE22 GLN 27 15.128 4.784 7.177 208 H LEU 28 H LEU 28 7.772 6.171 7.180 209 HA LEU 28 HA LEU 28 7.446 6.726 9.977 210 HB2 LEU 28 HB2 LEU 28 5.656 4.993 8.220 211 HB3 LEU 28 HB3 LEU 28 5.217 5.766 9.735 212 HG LEU 28 HG LEU 28 5.688 7.098 7.045 213 HD11 LEU 28 HD11 LEU 28 3.357 7.847 7.284 214 HD12 LEU 28 HD12 LEU 28 3.229 6.972 8.810 215 HD13 LEU 28 HD13 LEU 28 3.489 6.089 7.304 216 HD21 LEU 28 HD21 LEU 28 5.257 8.493 9.702 217 HD22 LEU 28 HD22 LEU 28 5.213 9.275 8.119 218 HD23 LEU 28 HD23 LEU 28 6.711 8.557 8.701 219 H THR 29 H THR 29 7.790 5.377 11.683 220 HA THR 29 HA THR 29 9.104 2.843 11.364 221 HB THR 29 HB THR 29 8.910 2.659 13.857 222 HG1 THR 29 HG1 THR 29 7.668 5.217 13.839 223 HG21 THR 29 HG21 THR 29 10.274 4.640 14.440 224 HG22 THR 29 HG22 THR 29 9.833 5.399 12.911 225 HG23 THR 29 HG23 THR 29 10.804 3.926 12.914 226 H ALA 30 H ALA 30 8.240 0.766 12.201 227 HA ALA 30 HA ALA 30 5.700 0.029 11.318 228 HB1 ALA 30 HB1 ALA 30 7.497 -1.597 11.745 229 HB2 ALA 30 HB2 ALA 30 6.025 -2.064 12.595 230 HB3 ALA 30 HB3 ALA 30 7.362 -1.324 13.482 231 H ASP 31 H ASP 31 6.762 1.134 14.510 232 HA ASP 31 HA ASP 31 4.319 0.791 15.925 233 HB2 ASP 31 HB2 ASP 31 6.690 2.639 16.424 234 HB3 ASP 31 HB3 ASP 31 5.360 2.431 17.560 235 H TYR 32 H TYR 32 5.666 3.590 14.141 236 HA TYR 32 HA TYR 32 3.638 5.454 14.822 237 HB2 TYR 32 HB2 TYR 32 5.903 6.038 13.796 238 HB3 TYR 32 HB3 TYR 32 5.292 5.482 12.246 239 HD1 TYR 32 HD1 TYR 32 3.520 6.827 11.048 240 HD2 TYR 32 HD2 TYR 32 5.208 8.183 14.737 241 HE1 TYR 32 HE1 TYR 32 2.621 9.068 10.636 242 HE2 TYR 32 HE2 TYR 32 4.305 10.427 14.319 243 HH TYR 32 HH TYR 32 3.570 11.801 12.350 244 H PHE 33 H PHE 33 4.135 3.353 12.019 245 HA PHE 33 HA PHE 33 1.871 3.996 10.509 246 HB2 PHE 33 HB2 PHE 33 3.837 2.602 9.721 247 HB3 PHE 33 HB3 PHE 33 3.197 1.236 10.623 248 HD1 PHE 33 HD1 PHE 33 0.635 0.607 9.983 249 HD2 PHE 33 HD2 PHE 33 3.283 2.777 7.433 250 HE1 PHE 33 HE1 PHE 33 -0.712 -0.033 8.037 251 HE2 PHE 33 HE2 PHE 33 1.937 2.119 5.499 252 HZ PHE 33 HZ PHE 33 -0.070 0.726 5.787 253 H GLU 34 H GLU 34 2.339 1.484 13.036 254 HA GLU 34 HA GLU 34 -0.191 0.306 13.021 255 HB2 GLU 34 HB2 GLU 34 1.828 0.725 15.248 256 HB3 GLU 34 HB3 GLU 34 0.280 -0.033 15.581 257 HG2 GLU 34 HG2 GLU 34 2.323 -1.050 13.613 258 HG3 GLU 34 HG3 GLU 34 2.100 -1.659 15.247 259 H LYS 35 H LYS 35 0.952 3.054 15.018 260 HA LYS 35 HA LYS 35 -1.393 3.640 16.390 261 HB2 LYS 35 HB2 LYS 35 0.692 4.696 17.043 262 HB3 LYS 35 HB3 LYS 35 0.863 5.477 15.474 263 HG2 LYS 35 HG2 LYS 35 -1.074 6.905 15.941 264 HG3 LYS 35 HG3 LYS 35 -1.320 6.110 17.495 265 HD2 LYS 35 HD2 LYS 35 1.159 7.695 16.722 266 HD3 LYS 35 HD3 LYS 35 -0.187 8.335 17.666 267 HE2 LYS 35 HE2 LYS 35 0.261 6.716 19.450 268 HE3 LYS 35 HE3 LYS 35 1.563 5.995 18.496 269 HZ1 LYS 35 HZ1 LYS 35 2.783 8.053 18.621 270 HZ2 LYS 35 HZ2 LYS 35 2.362 7.564 20.187 271 HZ3 LYS 35 HZ3 LYS 35 1.508 8.809 19.432 272 H THR 36 H THR 36 -0.260 4.980 13.280 273 HA THR 36 HA THR 36 -2.417 6.816 12.983 274 HB THR 36 HB THR 36 -0.573 5.878 10.735 275 HG1 THR 36 HG1 THR 36 0.993 6.649 11.934 276 HG21 THR 36 HG21 THR 36 -1.878 8.594 11.269 277 HG22 THR 36 HG22 THR 36 -2.417 7.426 10.062 278 HG23 THR 36 HG23 THR 36 -0.839 8.183 9.895 279 H TRP 37 H TRP 37 -1.736 3.596 11.639 280 HA TRP 37 HA TRP 37 -3.801 3.352 9.747 281 HB2 TRP 37 HB2 TRP 37 -1.894 1.792 9.845 282 HB3 TRP 37 HB3 TRP 37 -2.412 1.204 11.421 283 HD1 TRP 37 HD1 TRP 37 -4.374 -0.631 11.456 284 HE1 TRP 37 HE1 TRP 37 -5.460 -2.071 9.631 285 HE3 TRP 37 HE3 TRP 37 -2.598 1.795 7.331 286 HZ2 TRP 37 HZ2 TRP 37 -5.542 -2.188 6.829 287 HZ3 TRP 37 HZ3 TRP 37 -3.227 0.957 5.106 288 HH2 TRP 37 HH2 TRP 37 -4.671 -0.999 4.859 289 H LEU 38 H LEU 38 -3.652 2.405 13.150 290 HA LEU 38 HA LEU 38 -6.359 1.430 13.270 291 HB2 LEU 38 HB2 LEU 38 -4.305 1.961 15.460 292 HB3 LEU 38 HB3 LEU 38 -5.783 1.028 15.656 293 HG LEU 38 HG LEU 38 -3.550 0.243 13.729 294 HD11 LEU 38 HD11 LEU 38 -3.993 -0.880 16.514 295 HD12 LEU 38 HD12 LEU 38 -2.660 0.165 16.013 296 HD13 LEU 38 HD13 LEU 38 -2.810 -1.449 15.327 297 HD21 LEU 38 HD21 LEU 38 -5.723 -0.673 13.116 298 HD22 LEU 38 HD22 LEU 38 -5.924 -1.351 14.731 299 HD23 LEU 38 HD23 LEU 38 -4.647 -1.953 13.673 300 H SER 39 H SER 39 -4.814 4.515 13.728 301 HA SER 39 HA SER 39 -7.006 5.782 15.110 302 HB2 SER 39 HB2 SER 39 -4.664 6.600 15.342 303 HB3 SER 39 HB3 SER 39 -4.655 7.050 13.638 304 HG SER 39 HG SER 39 -6.800 8.133 14.898 305 H LEU 40 H LEU 40 -6.376 5.011 11.773 306 HA LEU 40 HA LEU 40 -8.443 6.935 10.847 307 HB2 LEU 40 HB2 LEU 40 -6.339 5.472 9.185 308 HB3 LEU 40 HB3 LEU 40 -7.458 6.693 8.597 309 HG LEU 40 HG LEU 40 -5.213 7.205 10.587 310 HD11 LEU 40 HD11 LEU 40 -4.282 6.644 8.423 311 HD12 LEU 40 HD12 LEU 40 -4.047 8.357 8.752 312 HD13 LEU 40 HD13 LEU 40 -5.309 7.841 7.633 313 HD21 LEU 40 HD21 LEU 40 -7.080 8.775 10.883 314 HD22 LEU 40 HD22 LEU 40 -6.981 9.220 9.179 315 HD23 LEU 40 HD23 LEU 40 -5.640 9.582 10.266 316 H LYS 41 H LYS 41 -9.953 6.064 9.189 317 HA LYS 41 HA LYS 41 -10.582 3.202 9.602 318 HB2 LYS 41 HB2 LYS 41 -12.360 5.453 8.557 319 HB3 LYS 41 HB3 LYS 41 -12.863 3.785 8.817 320 HG2 LYS 41 HG2 LYS 41 -12.439 4.057 11.255 321 HG3 LYS 41 HG3 LYS 41 -11.985 5.739 10.968 322 HD2 LYS 41 HD2 LYS 41 -14.273 6.199 10.100 323 HD3 LYS 41 HD3 LYS 41 -14.721 4.519 10.423 324 HE2 LYS 41 HE2 LYS 41 -15.525 5.969 12.208 325 HE3 LYS 41 HE3 LYS 41 -14.283 4.889 12.840 326 HZ1 LYS 41 HZ1 LYS 41 -13.962 7.757 12.126 327 HZ2 LYS 41 HZ2 LYS 41 -12.688 6.742 12.566 328 HZ3 LYS 41 HZ3 LYS 41 -13.916 7.077 13.675 329 H VAL 42 H VAL 42 -11.156 1.930 7.711 330 HA VAL 42 HA VAL 42 -9.487 2.229 5.459 331 HB VAL 42 HB VAL 42 -12.044 0.553 5.680 332 HG11 VAL 42 HG11 VAL 42 -11.045 -0.863 3.893 333 HG12 VAL 42 HG12 VAL 42 -9.698 0.271 3.752 334 HG13 VAL 42 HG13 VAL 42 -11.332 0.787 3.336 335 HG21 VAL 42 HG21 VAL 42 -9.160 -0.232 6.278 336 HG22 VAL 42 HG22 VAL 42 -10.558 -1.309 6.348 337 HG23 VAL 42 HG23 VAL 42 -10.427 0.036 7.477 338 H ALA 43 H ALA 43 -9.668 3.519 3.752 339 HA ALA 43 HA ALA 43 -12.023 5.175 3.272 340 HB1 ALA 43 HB1 ALA 43 -9.769 6.176 3.155 341 HB2 ALA 43 HB2 ALA 43 -10.591 6.310 1.599 342 HB3 ALA 43 HB3 ALA 43 -9.340 5.086 1.835 343 H HIS 44 H HIS 44 -10.096 2.752 1.557 344 HA HIS 44 HA HIS 44 -12.443 1.679 0.224 345 HB2 HIS 44 HB2 HIS 44 -11.605 3.496 -1.337 346 HB3 HIS 44 HB3 HIS 44 -10.072 2.645 -1.454 347 HD2 HIS 44 HD2 HIS 44 -10.099 0.319 -3.064 348 HE1 HIS 44 HE1 HIS 44 -13.989 1.007 -4.577 349 HE2 HIS 44 HE2 HIS 44 -11.818 -0.241 -4.928 350 H GLN 45 H GLN 45 -12.047 -0.462 -0.565 351 HA GLN 45 HA GLN 45 -9.408 -1.642 -0.150 352 HB2 GLN 45 HB2 GLN 45 -10.653 -2.000 2.026 353 HB3 GLN 45 HB3 GLN 45 -11.882 -2.899 1.141 354 HG2 GLN 45 HG2 GLN 45 -10.151 -4.540 0.439 355 HG3 GLN 45 HG3 GLN 45 -8.945 -3.644 1.364 356 HE21 GLN 45 HE21 GLN 45 -8.465 -5.326 2.740 357 HE22 GLN 45 HE22 GLN 45 -9.564 -5.945 3.919 358 H GLN 46 H GLN 46 -8.970 -2.884 -1.836 359 HA GLN 46 HA GLN 46 -11.117 -3.939 -3.565 360 HB2 GLN 46 HB2 GLN 46 -10.327 -1.741 -4.492 361 HB3 GLN 46 HB3 GLN 46 -8.679 -2.368 -4.534 362 HG2 GLN 46 HG2 GLN 46 -9.485 -4.190 -6.085 363 HG3 GLN 46 HG3 GLN 46 -11.047 -3.374 -6.148 364 HE21 GLN 46 HE21 GLN 46 -9.205 -3.940 -8.285 365 HE22 GLN 46 HE22 GLN 46 -8.785 -2.430 -9.002 366 H VAL 47 H VAL 47 -10.654 -5.969 -4.269 367 HA VAL 47 HA VAL 47 -8.048 -7.175 -3.630 368 HB VAL 47 HB VAL 47 -10.641 -8.490 -4.633 369 HG11 VAL 47 HG11 VAL 47 -8.630 -9.804 -5.209 370 HG12 VAL 47 HG12 VAL 47 -9.608 -10.628 -4.001 371 HG13 VAL 47 HG13 VAL 47 -8.127 -9.799 -3.516 372 HG21 VAL 47 HG21 VAL 47 -10.946 -9.274 -2.305 373 HG22 VAL 47 HG22 VAL 47 -10.946 -7.514 -2.390 374 HG23 VAL 47 HG23 VAL 47 -9.517 -8.366 -1.801 375 H LEU 48 H LEU 48 -6.671 -7.911 -5.228 376 HA LEU 48 HA LEU 48 -7.539 -7.927 -8.044 377 HB2 LEU 48 HB2 LEU 48 -4.852 -6.985 -6.952 378 HB3 LEU 48 HB3 LEU 48 -5.143 -7.331 -8.650 379 HG LEU 48 HG LEU 48 -6.538 -5.152 -7.045 380 HD11 LEU 48 HD11 LEU 48 -4.182 -4.613 -7.421 381 HD12 LEU 48 HD12 LEU 48 -5.222 -3.569 -8.381 382 HD13 LEU 48 HD13 LEU 48 -4.367 -4.906 -9.154 383 HD21 LEU 48 HD21 LEU 48 -7.426 -4.388 -9.231 384 HD22 LEU 48 HD22 LEU 48 -8.011 -5.991 -8.800 385 HD23 LEU 48 HD23 LEU 48 -6.735 -5.817 -10.004 386 HA PRO 49 HA PRO 49 -6.236 -12.180 -7.491 387 HB2 PRO 49 HB2 PRO 49 -6.337 -13.061 -10.068 388 HB3 PRO 49 HB3 PRO 49 -7.806 -12.638 -9.165 389 HG2 PRO 49 HG2 PRO 49 -6.319 -11.017 -11.202 390 HG3 PRO 49 HG3 PRO 49 -8.070 -11.255 -11.010 391 HD2 PRO 49 HD2 PRO 49 -6.741 -9.026 -10.104 392 HD3 PRO 49 HD3 PRO 49 -8.243 -9.634 -9.374 393 H TRP 50 H TRP 50 -4.385 -13.479 -7.702 394 HA TRP 50 HA TRP 50 -2.035 -12.349 -9.109 395 HB2 TRP 50 HB2 TRP 50 -2.050 -12.263 -6.509 396 HB3 TRP 50 HB3 TRP 50 -1.886 -14.016 -6.553 397 HD1 TRP 50 HD1 TRP 50 0.514 -14.982 -7.347 398 HE1 TRP 50 HE1 TRP 50 2.816 -13.902 -7.643 399 HE3 TRP 50 HE3 TRP 50 -0.846 -10.059 -7.067 400 HZ2 TRP 50 HZ2 TRP 50 3.938 -11.330 -7.668 401 HZ3 TRP 50 HZ3 TRP 50 0.923 -8.348 -7.203 402 HH2 TRP 50 HH2 TRP 50 3.265 -8.976 -7.496 403 H ARG 51 H ARG 51 -0.621 -13.953 -10.076 404 HA ARG 51 HA ARG 51 -1.992 -16.479 -10.756 405 HB2 ARG 51 HB2 ARG 51 0.301 -15.041 -12.142 406 HB3 ARG 51 HB3 ARG 51 -0.330 -16.604 -12.638 407 HG2 ARG 51 HG2 ARG 51 -1.823 -13.970 -12.682 408 HG3 ARG 51 HG3 ARG 51 -1.212 -14.852 -14.077 409 HD2 ARG 51 HD2 ARG 51 -3.513 -15.343 -14.058 410 HD3 ARG 51 HD3 ARG 51 -2.795 -16.771 -13.311 411 HE ARG 51 HE ARG 51 -3.458 -14.927 -11.308 412 HH11 ARG 51 HH11 ARG 51 -5.190 -16.983 -13.599 413 HH12 ARG 51 HH12 ARG 51 -6.579 -17.146 -12.567 414 HH21 ARG 51 HH21 ARG 51 -5.226 -15.234 -9.949 415 HH22 ARG 51 HH22 ARG 51 -6.591 -16.154 -10.497 416 H GLY 52 H GLY 52 -0.457 -18.349 -11.251 417 HA2 GLY 52 HA2 GLY 52 0.644 -19.512 -9.065 418 HA3 GLY 52 HA3 GLY 52 1.180 -19.869 -10.700 419 H GLU 53 H GLU 53 2.412 -19.328 -7.858 420 HA GLU 53 HA GLU 53 4.317 -18.770 -6.929 421 HB2 GLU 53 HB2 GLU 53 5.410 -19.515 -9.049 422 HB3 GLU 53 HB3 GLU 53 5.269 -17.874 -9.677 423 HG2 GLU 53 HG2 GLU 53 6.661 -17.070 -7.807 424 HG3 GLU 53 HG3 GLU 53 6.856 -18.726 -7.248 425 H PHE 54 H PHE 54 4.230 -17.147 -5.527 426 HA PHE 54 HA PHE 54 3.336 -14.492 -6.250 427 HB2 PHE 54 HB2 PHE 54 2.700 -15.571 -4.064 428 HB3 PHE 54 HB3 PHE 54 4.384 -15.441 -3.554 429 HD1 PHE 54 HD2 PHE 54 1.568 -13.352 -4.855 430 HD2 PHE 54 HD1 PHE 54 5.053 -13.467 -2.395 431 HE1 PHE 54 HE2 PHE 54 1.156 -11.038 -4.168 432 HE2 PHE 54 HE1 PHE 54 4.638 -11.141 -1.719 433 HZ PHE 54 HZ PHE 54 2.695 -9.922 -2.610 434 H HIS 55 H HIS 55 4.567 -12.542 -6.002 435 HA HIS 55 HA HIS 55 7.507 -12.896 -6.242 436 HB2 HIS 55 HB2 HIS 55 5.781 -11.148 -8.058 437 HB3 HIS 55 HB3 HIS 55 7.531 -11.341 -8.155 438 HD1 HIS 55 HD1 HIS 55 4.744 -12.366 -9.964 439 HD2 HIS 55 HD2 HIS 55 7.971 -14.451 -8.392 440 HE1 HIS 55 HE1 HIS 55 4.848 -14.516 -11.239 441 HE2 HIS 55 HE2 HIS 55 6.877 -15.704 -10.363 442 HA PRO 56 HA PRO 56 6.770 -9.394 -3.260 443 HB2 PRO 56 HB2 PRO 56 8.924 -10.534 -1.614 444 HB3 PRO 56 HB3 PRO 56 7.210 -10.321 -1.215 445 HG2 PRO 56 HG2 PRO 56 8.361 -12.769 -1.581 446 HG3 PRO 56 HG3 PRO 56 6.638 -12.446 -1.865 447 HD2 PRO 56 HD2 PRO 56 8.880 -12.651 -3.870 448 HD3 PRO 56 HD3 PRO 56 7.214 -13.275 -3.961 449 H ASP 57 H ASP 57 9.668 -10.726 -4.756 450 HA ASP 57 HA ASP 57 11.424 -8.493 -4.318 451 HB2 ASP 57 HB2 ASP 57 11.492 -10.597 -6.532 452 HB3 ASP 57 HB3 ASP 57 12.737 -9.377 -6.316 453 H THR 58 H THR 58 9.359 -9.474 -7.045 454 HA THR 58 HA THR 58 9.968 -7.250 -8.718 455 HB THR 58 HB THR 58 7.457 -8.979 -8.900 456 HG1 THR 58 HG1 THR 58 10.065 -9.539 -9.924 457 HG21 THR 58 HG21 THR 58 7.563 -7.046 -10.459 458 HG22 THR 58 HG22 THR 58 7.648 -8.584 -11.319 459 HG23 THR 58 HG23 THR 58 9.109 -7.617 -11.075 460 H LEU 59 H LEU 59 7.406 -7.988 -6.378 461 HA LEU 59 HA LEU 59 5.755 -5.743 -6.829 462 HB2 LEU 59 HB2 LEU 59 5.011 -7.745 -5.618 463 HB3 LEU 59 HB3 LEU 59 6.139 -7.403 -4.316 464 HG LEU 59 HG LEU 59 4.859 -5.398 -3.688 465 HD11 LEU 59 HD11 LEU 59 2.936 -6.081 -5.947 466 HD12 LEU 59 HD12 LEU 59 4.002 -4.676 -5.876 467 HD13 LEU 59 HD13 LEU 59 2.693 -4.841 -4.712 468 HD21 LEU 59 HD21 LEU 59 4.253 -7.535 -2.680 469 HD22 LEU 59 HD22 LEU 59 3.109 -7.859 -3.985 470 HD23 LEU 59 HD23 LEU 59 2.829 -6.518 -2.874 471 H GLN 60 H GLN 60 8.327 -6.283 -4.376 472 HA GLN 60 HA GLN 60 8.136 -3.808 -3.072 473 HB2 GLN 60 HB2 GLN 60 9.358 -5.718 -2.096 474 HB3 GLN 60 HB3 GLN 60 10.587 -5.604 -3.355 475 HG2 GLN 60 HG2 GLN 60 11.235 -3.378 -2.522 476 HG3 GLN 60 HG3 GLN 60 10.008 -3.476 -1.263 477 HE21 GLN 60 HE21 GLN 60 12.920 -3.165 -1.011 478 HE22 GLN 60 HE22 GLN 60 13.467 -4.495 -0.055 479 H MET 61 H MET 61 10.341 -4.828 -5.712 480 HA MET 61 HA MET 61 11.767 -2.402 -5.907 481 HB2 MET 61 HB2 MET 61 11.375 -4.584 -7.994 482 HB3 MET 61 HB3 MET 61 12.514 -3.256 -8.159 483 HG2 MET 61 HG2 MET 61 13.719 -4.069 -6.151 484 HG3 MET 61 HG3 MET 61 12.593 -5.422 -6.047 485 HE1 MET 61 HE1 MET 61 12.216 -6.072 -9.262 486 HE2 MET 61 HE2 MET 61 12.386 -7.326 -8.035 487 HE3 MET 61 HE3 MET 61 13.433 -7.336 -9.453 488 H ALA 62 H ALA 62 8.833 -3.548 -7.589 489 HA ALA 62 HA ALA 62 8.645 -1.426 -9.466 490 HB1 ALA 62 HB1 ALA 62 6.441 -3.184 -8.334 491 HB2 ALA 62 HB2 ALA 62 7.426 -3.539 -9.754 492 HB3 ALA 62 HB3 ALA 62 6.312 -2.171 -9.776 493 H LEU 63 H LEU 63 7.246 -1.932 -6.233 494 HA LEU 63 HA LEU 63 5.747 0.397 -5.902 495 HB2 LEU 63 HB2 LEU 63 7.316 -1.223 -3.853 496 HB3 LEU 63 HB3 LEU 63 6.214 0.072 -3.408 497 HG LEU 63 HG LEU 63 5.327 -2.392 -4.958 498 HD11 LEU 63 HD11 LEU 63 6.193 -3.130 -2.801 499 HD12 LEU 63 HD12 LEU 63 4.439 -3.287 -2.844 500 HD13 LEU 63 HD13 LEU 63 5.183 -1.951 -1.962 501 HD21 LEU 63 HD21 LEU 63 3.710 -0.302 -3.461 502 HD22 LEU 63 HD22 LEU 63 3.063 -1.729 -4.274 503 HD23 LEU 63 HD23 LEU 63 3.840 -0.462 -5.216 504 H GLN 64 H GLN 64 9.168 -0.209 -5.125 505 HA GLN 64 HA GLN 64 9.850 2.342 -4.265 506 HB2 GLN 64 HB2 GLN 64 11.571 0.203 -5.588 507 HB3 GLN 64 HB3 GLN 64 12.213 1.650 -4.811 508 HG2 GLN 64 HG2 GLN 64 10.568 -0.497 -3.440 509 HG3 GLN 64 HG3 GLN 64 12.312 -0.292 -3.313 510 HE21 GLN 64 HE21 GLN 64 12.381 2.539 -3.054 511 HE22 GLN 64 HE22 GLN 64 11.706 2.950 -1.525 512 H VAL 65 H VAL 65 9.770 1.067 -7.652 513 HA VAL 65 HA VAL 65 10.959 3.343 -8.861 514 HB VAL 65 HB VAL 65 9.056 1.253 -10.050 515 HG11 VAL 65 HG11 VAL 65 9.017 3.263 -11.465 516 HG12 VAL 65 HG12 VAL 65 9.866 1.956 -12.286 517 HG13 VAL 65 HG13 VAL 65 10.782 3.275 -11.549 518 HG21 VAL 65 HG21 VAL 65 11.091 0.213 -10.984 519 HG22 VAL 65 HG22 VAL 65 11.174 0.286 -9.226 520 HG23 VAL 65 HG23 VAL 65 12.098 1.433 -10.198 521 H VAL 66 H VAL 66 7.664 2.609 -7.814 522 HA VAL 66 HA VAL 66 6.610 5.079 -9.047 523 HB VAL 66 HB VAL 66 4.374 4.235 -8.576 524 HG11 VAL 66 HG11 VAL 66 6.060 2.050 -9.850 525 HG12 VAL 66 HG12 VAL 66 5.413 3.472 -10.669 526 HG13 VAL 66 HG13 VAL 66 4.314 2.249 -10.031 527 HG21 VAL 66 HG21 VAL 66 5.657 1.799 -7.296 528 HG22 VAL 66 HG22 VAL 66 3.931 2.091 -7.508 529 HG23 VAL 66 HG23 VAL 66 4.865 3.109 -6.422 530 H ASN 67 H ASN 67 8.369 4.737 -6.530 531 HA ASN 67 HA ASN 67 8.796 6.063 -4.732 532 HB2 ASN 67 HB2 ASN 67 6.511 7.726 -5.865 533 HB3 ASN 67 HB3 ASN 67 7.590 8.265 -4.581 534 HD21 ASN 67 HD21 ASN 67 9.701 8.874 -5.101 535 HD22 ASN 67 HD22 ASN 67 10.236 9.108 -6.728 536 H ILE 68 H ILE 68 6.756 3.886 -4.503 537 HA ILE 68 HA ILE 68 5.216 4.690 -2.151 538 HB ILE 68 HB ILE 68 5.371 2.025 -3.642 539 HG12 ILE 68 HG12 ILE 68 4.123 3.806 -4.839 540 HG13 ILE 68 HG13 ILE 68 3.053 2.506 -4.332 541 HG21 ILE 68 HG21 ILE 68 3.512 1.246 -2.186 542 HG22 ILE 68 HG22 ILE 68 3.664 2.714 -1.217 543 HG23 ILE 68 HG23 ILE 68 4.989 1.553 -1.271 544 HD11 ILE 68 HD11 ILE 68 3.338 5.210 -3.019 545 HD12 ILE 68 HD12 ILE 68 2.299 3.906 -2.442 546 HD13 ILE 68 HD13 ILE 68 1.990 4.649 -4.009 547 H GLN 69 H GLN 69 6.085 4.574 -0.256 548 HA GLN 69 HA GLN 69 8.669 3.411 0.299 549 HB2 GLN 69 HB2 GLN 69 8.049 5.579 1.211 550 HB3 GLN 69 HB3 GLN 69 6.587 4.920 1.937 551 HG2 GLN 69 HG2 GLN 69 7.904 3.668 3.549 552 HG3 GLN 69 HG3 GLN 69 9.407 4.212 2.793 553 HE21 GLN 69 HE21 GLN 69 6.634 5.221 4.713 554 HE22 GLN 69 HE22 GLN 69 7.298 6.725 5.238 555 H THR 70 H THR 70 9.035 1.427 1.227 556 HA THR 70 HA THR 70 6.733 -0.280 1.902 557 HB THR 70 HB THR 70 9.657 -1.049 1.432 558 HG1 THR 70 HG1 THR 70 8.503 -0.258 -0.455 559 HG21 THR 70 HG21 THR 70 8.789 -3.363 1.243 560 HG22 THR 70 HG22 THR 70 7.169 -2.794 1.651 561 HG23 THR 70 HG23 THR 70 8.467 -2.694 2.843 562 H ILE 71 H ILE 71 6.189 -0.111 3.985 563 HA ILE 71 HA ILE 71 8.047 0.614 6.099 564 HB ILE 71 HB ILE 71 5.099 -0.194 6.242 565 HG12 ILE 71 HG12 ILE 71 5.488 1.848 4.864 566 HG13 ILE 71 HG13 ILE 71 4.569 2.188 6.319 567 HG21 ILE 71 HG21 ILE 71 6.168 -0.484 8.429 568 HG22 ILE 71 HG22 ILE 71 5.066 0.890 8.467 569 HG23 ILE 71 HG23 ILE 71 6.807 1.162 8.368 570 HD11 ILE 71 HD11 ILE 71 7.473 2.818 5.841 571 HD12 ILE 71 HD12 ILE 71 6.629 3.073 7.369 572 HD13 ILE 71 HD13 ILE 71 6.130 3.956 5.926 573 H ALA 72 H ALA 72 5.882 -2.139 5.441 574 HA ALA 72 HA ALA 72 7.775 -4.012 6.697 575 HB1 ALA 72 HB1 ALA 72 5.906 -5.124 7.892 576 HB2 ALA 72 HB2 ALA 72 4.793 -3.883 7.308 577 HB3 ALA 72 HB3 ALA 72 6.092 -3.449 8.418 578 H MET 73 H MET 73 7.542 -6.166 5.934 579 HA MET 73 HA MET 73 5.545 -6.894 3.981 580 HB2 MET 73 HB2 MET 73 7.168 -5.718 2.517 581 HB3 MET 73 HB3 MET 73 8.480 -6.712 3.129 582 HG2 MET 73 HG2 MET 73 7.618 -8.660 2.041 583 HG3 MET 73 HG3 MET 73 6.102 -7.853 1.654 584 HE1 MET 73 HE1 MET 73 7.015 -5.006 0.563 585 HE2 MET 73 HE2 MET 73 5.825 -6.014 -0.261 586 HE3 MET 73 HE3 MET 73 7.185 -5.340 -1.159 587 H SER 74 H SER 74 5.116 -9.047 4.243 588 HA SER 74 HA SER 74 6.622 -10.645 6.101 589 HB2 SER 74 HB2 SER 74 4.251 -11.392 4.331 590 HB3 SER 74 HB3 SER 74 4.907 -12.394 5.630 591 HG SER 74 HG SER 74 4.156 -9.744 6.195 592 H ARG 75 H ARG 75 7.128 -13.020 5.451 593 HA ARG 75 HA ARG 75 9.247 -12.793 3.501 594 HB2 ARG 75 HB2 ARG 75 9.364 -14.015 5.787 595 HB3 ARG 75 HB3 ARG 75 8.469 -15.319 5.020 596 HG2 ARG 75 HG2 ARG 75 10.415 -15.221 3.225 597 HG3 ARG 75 HG3 ARG 75 11.295 -14.382 4.505 598 HD2 ARG 75 HD2 ARG 75 11.882 -16.681 4.687 599 HD3 ARG 75 HD3 ARG 75 10.748 -16.381 6.008 600 HE ARG 75 HE ARG 75 10.073 -17.720 3.446 601 HH11 ARG 75 HH11 ARG 75 9.491 -17.340 6.903 602 HH12 ARG 75 HH12 ARG 75 8.306 -18.601 6.954 603 HH21 ARG 75 HH21 ARG 75 8.481 -19.319 3.516 604 HH22 ARG 75 HH22 ARG 75 7.731 -19.735 5.024 605 H ALA 76 H ALA 76 9.528 -14.102 1.685 606 HA ALA 76 HA ALA 76 7.337 -14.878 0.076 607 HB1 ALA 76 HB1 ALA 76 10.257 -15.715 -0.082 608 HB2 ALA 76 HB2 ALA 76 9.539 -14.304 -0.863 609 HB3 ALA 76 HB3 ALA 76 9.059 -15.927 -1.361 610 H GLY 77 H GLY 77 6.148 -16.704 0.107 611 HA2 GLY 77 HA2 GLY 77 5.740 -19.021 0.269 612 HA3 GLY 77 HA3 GLY 77 7.158 -19.218 1.292 613 H SER 78 H SER 78 5.970 -16.685 2.788 614 HA SER 78 HA SER 78 4.483 -18.225 4.763 615 HB2 SER 78 HB2 SER 78 5.203 -15.257 4.694 616 HB3 SER 78 HB3 SER 78 4.611 -16.146 6.101 617 HG SER 78 HG SER 78 6.621 -16.585 6.471 618 H ARG 79 H ARG 79 2.317 -18.511 4.540 619 HA ARG 79 HA ARG 79 0.642 -16.286 3.522 620 HB2 ARG 79 HB2 ARG 79 0.160 -19.279 3.191 621 HB3 ARG 79 HB3 ARG 79 -1.077 -18.065 2.907 622 HG2 ARG 79 HG2 ARG 79 -0.267 -18.592 0.756 623 HG3 ARG 79 HG3 ARG 79 0.510 -17.059 1.149 624 HD2 ARG 79 HD2 ARG 79 2.555 -18.316 1.821 625 HD3 ARG 79 HD3 ARG 79 1.764 -19.816 1.338 626 HE ARG 79 HE ARG 79 1.966 -17.777 -0.728 627 HH11 ARG 79 HH11 ARG 79 3.411 -20.637 0.705 628 HH12 ARG 79 HH12 ARG 79 4.366 -21.011 -0.708 629 HH21 ARG 79 HH21 ARG 79 3.277 -18.230 -2.532 630 HH22 ARG 79 HH22 ARG 79 4.291 -19.655 -2.530 631 HA PRO 80 HA PRO 80 -1.545 -15.583 3.659 632 HB2 PRO 80 HB2 PRO 80 -2.746 -13.616 5.129 633 HB3 PRO 80 HB3 PRO 80 -3.521 -15.183 4.829 634 HG2 PRO 80 HG2 PRO 80 -2.079 -14.233 7.269 635 HG3 PRO 80 HG3 PRO 80 -3.588 -15.163 7.136 636 HD2 PRO 80 HD2 PRO 80 -1.163 -16.322 7.698 637 HD3 PRO 80 HD3 PRO 80 -2.488 -17.174 6.872 638 H TRP 81 H TRP 81 -0.222 -14.226 2.643 639 HA TRP 81 HA TRP 81 2.071 -13.058 3.974 640 HB2 TRP 81 HB2 TRP 81 2.285 -14.031 1.716 641 HB3 TRP 81 HB3 TRP 81 1.096 -12.904 1.079 642 HD1 TRP 81 HD1 TRP 81 4.795 -13.091 2.102 643 HE1 TRP 81 HE1 TRP 81 5.985 -10.970 1.271 644 HE3 TRP 81 HE3 TRP 81 0.719 -10.434 0.541 645 HZ2 TRP 81 HZ2 TRP 81 5.289 -8.510 0.092 646 HZ3 TRP 81 HZ3 TRP 81 1.069 -8.209 -0.434 647 HH2 TRP 81 HH2 TRP 81 3.308 -7.264 -0.647 648 H LYS 82 H LYS 82 2.153 -10.971 4.795 649 HA LYS 82 HA LYS 82 0.178 -9.000 3.800 650 HB2 LYS 82 HB2 LYS 82 -0.434 -9.941 6.035 651 HB3 LYS 82 HB3 LYS 82 1.070 -9.306 6.693 652 HG2 LYS 82 HG2 LYS 82 0.341 -7.018 6.281 653 HG3 LYS 82 HG3 LYS 82 -1.104 -7.591 5.439 654 HD2 LYS 82 HD2 LYS 82 -1.631 -6.863 7.746 655 HD3 LYS 82 HD3 LYS 82 -1.962 -8.581 7.523 656 HE2 LYS 82 HE2 LYS 82 0.135 -9.153 8.657 657 HE3 LYS 82 HE3 LYS 82 0.525 -7.440 8.832 658 HZ1 LYS 82 HZ1 LYS 82 -0.391 -8.324 10.865 659 HZ2 LYS 82 HZ2 LYS 82 -1.789 -8.835 10.068 660 HZ3 LYS 82 HZ3 LYS 82 -1.460 -7.184 10.211 661 H ALA 83 H ALA 83 0.798 -6.817 3.810 662 HA ALA 83 HA ALA 83 3.566 -6.100 4.432 663 HB1 ALA 83 HB1 ALA 83 3.697 -6.833 2.075 664 HB2 ALA 83 HB2 ALA 83 3.960 -5.096 2.214 665 HB3 ALA 83 HB3 ALA 83 2.406 -5.711 1.639 666 H TYR 84 H TYR 84 3.788 -3.928 4.864 667 HA TYR 84 HA TYR 84 1.377 -2.222 4.698 668 HB2 TYR 84 HB2 TYR 84 3.541 -2.363 6.842 669 HB3 TYR 84 HB3 TYR 84 2.407 -1.018 6.716 670 HD1 TYR 84 HD1 TYR 84 -0.161 -1.920 6.321 671 HD2 TYR 84 HD2 TYR 84 2.895 -3.982 8.486 672 HE1 TYR 84 HE1 TYR 84 -1.876 -3.161 7.549 673 HE2 TYR 84 HE2 TYR 84 1.161 -5.214 9.721 674 HH TYR 84 HH TYR 84 -2.156 -5.145 8.800 675 H LEU 85 H LEU 85 1.562 -0.603 3.394 676 HA LEU 85 HA LEU 85 4.198 0.456 2.549 677 HB2 LEU 85 HB2 LEU 85 1.569 0.467 1.000 678 HB3 LEU 85 HB3 LEU 85 3.143 0.972 0.407 679 HG LEU 85 HG LEU 85 2.349 -1.871 1.110 680 HD11 LEU 85 HD11 LEU 85 1.215 -1.113 -0.903 681 HD12 LEU 85 HD12 LEU 85 2.460 -2.287 -1.318 682 HD13 LEU 85 HD13 LEU 85 2.745 -0.569 -1.602 683 HD21 LEU 85 HD21 LEU 85 4.516 -2.531 0.113 684 HD22 LEU 85 HD22 LEU 85 4.721 -1.541 1.555 685 HD23 LEU 85 HD23 LEU 85 4.956 -0.828 -0.043 686 H SER 86 H SER 86 4.329 2.738 2.350 687 HA SER 86 HA SER 86 2.001 4.357 3.108 688 HB2 SER 86 HB2 SER 86 3.321 4.027 5.197 689 HB3 SER 86 HB3 SER 86 4.765 4.653 4.396 690 HG SER 86 HG SER 86 2.336 6.086 4.799 691 H ALA 87 H ALA 87 2.111 6.486 2.342 692 HA ALA 87 HA ALA 87 4.479 7.484 0.970 693 HB1 ALA 87 HB1 ALA 87 3.289 6.320 -0.864 694 HB2 ALA 87 HB2 ALA 87 3.239 8.066 -1.108 695 HB3 ALA 87 HB3 ALA 87 1.813 7.219 -0.500 696 H GLN 88 H GLN 88 4.195 9.790 0.481 697 HA GLN 88 HA GLN 88 1.944 11.189 1.787 698 HB2 GLN 88 HB2 GLN 88 4.911 11.862 2.205 699 HB3 GLN 88 HB3 GLN 88 3.568 12.889 2.702 700 HG2 GLN 88 HG2 GLN 88 2.817 11.229 4.298 701 HG3 GLN 88 HG3 GLN 88 4.036 10.089 3.731 702 HE21 GLN 88 HE21 GLN 88 6.171 10.368 4.353 703 HE22 GLN 88 HE22 GLN 88 6.618 11.448 5.622 704 H ASP 89 H ASP 89 1.072 12.371 0.070 705 HA ASP 89 HA ASP 89 2.753 12.679 -2.276 706 HB2 ASP 89 HB2 ASP 89 0.850 13.014 -3.547 707 HB3 ASP 89 HB3 ASP 89 0.153 12.115 -2.214 708 H ASP 90 H ASP 90 2.325 14.899 -3.475 709 HA ASP 90 HA ASP 90 3.966 16.782 -2.202 710 HB2 ASP 90 HB2 ASP 90 3.923 16.511 -4.603 711 HB3 ASP 90 HB3 ASP 90 2.233 16.969 -4.687 712 H THR 91 H THR 91 0.463 16.522 -2.155 713 HA THR 91 HA THR 91 0.103 19.244 -1.093 714 HB THR 91 HB THR 91 -2.288 18.847 -0.984 715 HG1 THR 91 HG1 THR 91 -1.865 16.197 -1.917 716 HG21 THR 91 HG21 THR 91 -1.178 17.774 -3.606 717 HG22 THR 91 HG22 THR 91 -1.414 19.477 -3.200 718 HG23 THR 91 HG23 THR 91 -2.807 18.408 -3.359 719 H GLY 92 H GLY 92 1.044 16.291 0.162 720 HA2 GLY 92 HA2 GLY 92 1.877 16.044 2.331 721 HA3 GLY 92 HA3 GLY 92 0.846 17.358 2.869 722 H CYS 93 H CYS 93 -0.633 14.784 1.025 723 HA CYS 93 HA CYS 93 -2.296 13.999 3.243 724 HB2 CYS 93 HB2 CYS 93 -2.044 12.715 0.491 725 HB3 CYS 93 HB3 CYS 93 -3.351 12.443 1.642 726 HG CYS 93 HG CYS 93 -2.976 14.806 -0.629 727 H LEU 94 H LEU 94 -1.971 12.331 4.658 728 HA LEU 94 HA LEU 94 0.415 10.636 4.428 729 HB2 LEU 94 HB2 LEU 94 -0.573 11.829 6.585 730 HB3 LEU 94 HB3 LEU 94 -1.668 10.467 6.644 731 HG LEU 94 HG LEU 94 0.264 10.224 8.200 732 HD11 LEU 94 HD11 LEU 94 0.310 8.128 6.013 733 HD12 LEU 94 HD12 LEU 94 -0.809 8.186 7.376 734 HD13 LEU 94 HD13 LEU 94 0.910 7.940 7.665 735 HD21 LEU 94 HD21 LEU 94 2.533 9.828 7.353 736 HD22 LEU 94 HD22 LEU 94 1.957 11.433 6.909 737 HD23 LEU 94 HD23 LEU 94 1.984 10.144 5.701 738 H PHE 95 H PHE 95 0.230 8.814 3.214 739 HA PHE 95 HA PHE 95 -2.363 7.415 2.885 740 HB2 PHE 95 HB2 PHE 95 0.183 7.236 1.211 741 HB3 PHE 95 HB3 PHE 95 -1.285 6.310 0.914 742 HD1 PHE 95 HD1 PHE 95 -3.265 7.374 -0.058 743 HD2 PHE 95 HD2 PHE 95 0.302 9.621 0.678 744 HE1 PHE 95 HE1 PHE 95 -4.092 9.168 -1.523 745 HE2 PHE 95 HE2 PHE 95 -0.534 11.401 -0.798 746 HZ PHE 95 HZ PHE 95 -2.723 11.181 -1.898 747 H LEU 96 H LEU 96 -2.615 5.480 3.805 748 HA LEU 96 HA LEU 96 -0.280 3.770 4.429 749 HB2 LEU 96 HB2 LEU 96 -2.925 3.975 5.932 750 HB3 LEU 96 HB3 LEU 96 -1.570 2.943 6.364 751 HG LEU 96 HG LEU 96 -1.480 5.975 6.389 752 HD11 LEU 96 HD11 LEU 96 -1.621 5.836 8.811 753 HD12 LEU 96 HD12 LEU 96 -1.834 4.087 8.720 754 HD13 LEU 96 HD13 LEU 96 -3.063 5.167 8.054 755 HD21 LEU 96 HD21 LEU 96 0.728 4.977 6.071 756 HD22 LEU 96 HD22 LEU 96 0.499 3.988 7.516 757 HD23 LEU 96 HD23 LEU 96 0.585 5.746 7.650 758 H THR 97 H THR 97 -0.356 1.831 3.458 759 HA THR 97 HA THR 97 -2.895 0.696 2.447 760 HB THR 97 HB THR 97 -0.171 0.489 1.063 761 HG1 THR 97 HG1 THR 97 -2.166 2.409 0.966 762 HG21 THR 97 HG21 THR 97 -2.964 -0.219 0.041 763 HG22 THR 97 HG22 THR 97 -1.716 -1.383 0.493 764 HG23 THR 97 HG23 THR 97 -1.463 -0.318 -0.887 765 H GLU 98 H GLU 98 -3.117 -1.508 2.583 766 HA GLU 98 HA GLU 98 -0.945 -3.169 3.723 767 HB2 GLU 98 HB2 GLU 98 -2.673 -2.840 5.416 768 HB3 GLU 98 HB3 GLU 98 -3.944 -3.235 4.267 769 HG2 GLU 98 HG2 GLU 98 -3.026 -5.578 4.156 770 HG3 GLU 98 HG3 GLU 98 -1.884 -5.137 5.430 771 H LEU 99 H LEU 99 -0.556 -5.012 2.589 772 HA LEU 99 HA LEU 99 -2.374 -5.804 0.377 773 HB2 LEU 99 HB2 LEU 99 0.626 -6.298 0.606 774 HB3 LEU 99 HB3 LEU 99 -0.403 -6.724 -0.751 775 HG LEU 99 HG LEU 99 0.330 -3.895 0.101 776 HD11 LEU 99 HD11 LEU 99 1.245 -5.537 -2.286 777 HD12 LEU 99 HD12 LEU 99 2.221 -5.097 -0.881 778 HD13 LEU 99 HD13 LEU 99 1.652 -3.845 -1.981 779 HD21 LEU 99 HD21 LEU 99 -0.767 -3.159 -1.989 780 HD22 LEU 99 HD22 LEU 99 -1.912 -3.908 -0.879 781 HD23 LEU 99 HD23 LEU 99 -1.325 -4.811 -2.278 782 H LEU 100 H LEU 100 -3.400 -7.706 0.865 783 HA LEU 100 HA LEU 100 -2.061 -9.658 2.659 784 HB2 LEU 100 HB2 LEU 100 -4.004 -8.333 3.696 785 HB3 LEU 100 HB3 LEU 100 -5.074 -9.159 2.587 786 HG LEU 100 HG LEU 100 -5.062 -10.103 4.935 787 HD11 LEU 100 HD11 LEU 100 -4.154 -12.132 2.860 788 HD12 LEU 100 HD12 LEU 100 -5.802 -11.543 3.069 789 HD13 LEU 100 HD13 LEU 100 -5.039 -12.475 4.351 790 HD21 LEU 100 HD21 LEU 100 -2.687 -9.783 5.471 791 HD22 LEU 100 HD22 LEU 100 -2.236 -11.011 4.288 792 HD23 LEU 100 HD23 LEU 100 -3.164 -11.463 5.718 793 H LEU 101 H LEU 101 -1.537 -11.369 1.479 794 HA LEU 101 HA LEU 101 -3.101 -12.235 -0.844 795 HB2 LEU 101 HB2 LEU 101 -0.699 -11.946 -1.256 796 HB3 LEU 101 HB3 LEU 101 -0.303 -12.903 0.162 797 HG LEU 101 HG LEU 101 -1.476 -14.872 -1.059 798 HD11 LEU 101 HD11 LEU 101 -1.060 -13.090 -3.467 799 HD12 LEU 101 HD12 LEU 101 -2.610 -13.629 -2.817 800 HD13 LEU 101 HD13 LEU 101 -1.489 -14.802 -3.501 801 HD21 LEU 101 HD21 LEU 101 0.901 -14.836 -0.674 802 HD22 LEU 101 HD22 LEU 101 1.155 -13.756 -2.046 803 HD23 LEU 101 HD23 LEU 101 0.599 -15.410 -2.315 804 H GLU 102 H GLU 102 -4.371 -13.991 -0.572 805 HA GLU 102 HA GLU 102 -4.967 -14.849 2.081 806 HB2 GLU 102 HB2 GLU 102 -6.058 -15.871 -0.572 807 HB3 GLU 102 HB3 GLU 102 -6.796 -16.104 1.011 808 HG2 GLU 102 HG2 GLU 102 -7.090 -13.638 1.205 809 HG3 GLU 102 HG3 GLU 102 -6.420 -13.452 -0.414 810 HA PRO 103 HA PRO 103 -2.555 -18.602 2.598 811 HB2 PRO 103 HB2 PRO 103 -4.980 -19.864 3.841 812 HB3 PRO 103 HB3 PRO 103 -3.363 -19.606 4.531 813 HG2 PRO 103 HG2 PRO 103 -5.430 -18.110 5.310 814 HG3 PRO 103 HG3 PRO 103 -3.809 -17.401 5.115 815 HD2 PRO 103 HD2 PRO 103 -6.179 -17.235 3.260 816 HD3 PRO 103 HD3 PRO 103 -5.020 -15.969 3.735 817 H GLY 104 H GLY 104 -2.223 -19.358 0.546 818 HA2 GLY 104 HA2 GLY 104 -2.230 -21.193 -0.915 819 HA3 GLY 104 HA3 GLY 104 -3.835 -21.644 -0.353 820 H ASN 105 H ASN 105 -5.204 -19.223 -0.695 821 HA ASN 105 HA ASN 105 -5.811 -19.346 -3.488 822 HB2 ASN 105 HB2 ASN 105 -7.489 -18.935 -1.611 823 HB3 ASN 105 HB3 ASN 105 -6.863 -17.308 -1.477 824 HD21 ASN 105 HD21 ASN 105 -7.219 -15.851 -3.221 825 HD22 ASN 105 HD22 ASN 105 -8.455 -16.146 -4.391 826 H SER 106 H SER 106 -5.009 -18.145 -5.074 827 HA SER 106 HA SER 106 -3.030 -16.097 -4.521 828 HB2 SER 106 HB2 SER 106 -3.939 -17.294 -7.174 829 HB3 SER 106 HB3 SER 106 -2.525 -16.263 -6.921 830 HG SER 106 HG SER 106 -2.836 -18.942 -6.449 831 H GLU 107 H GLU 107 -4.773 -14.761 -3.551 832 HA GLU 107 HA GLU 107 -5.348 -12.631 -5.504 833 HB2 GLU 107 HB2 GLU 107 -7.401 -13.712 -3.524 834 HB3 GLU 107 HB3 GLU 107 -7.532 -12.115 -4.249 835 HG2 GLU 107 HG2 GLU 107 -7.693 -13.120 -6.479 836 HG3 GLU 107 HG3 GLU 107 -7.507 -14.725 -5.776 837 H MET 108 H MET 108 -5.223 -10.566 -4.594 838 HA MET 108 HA MET 108 -3.926 -10.374 -1.933 839 HB2 MET 108 HB2 MET 108 -2.292 -9.923 -3.758 840 HB3 MET 108 HB3 MET 108 -3.361 -8.706 -4.442 841 HG2 MET 108 HG2 MET 108 -3.126 -7.382 -2.332 842 HG3 MET 108 HG3 MET 108 -1.952 -8.565 -1.758 843 HE1 MET 108 HE1 MET 108 -0.332 -9.246 -4.470 844 HE2 MET 108 HE2 MET 108 0.437 -8.958 -2.909 845 HE3 MET 108 HE3 MET 108 0.982 -8.079 -4.338 846 H GLN 109 H GLN 109 -4.815 -8.893 -0.589 847 HA GLN 109 HA GLN 109 -7.157 -7.330 -1.471 848 HB2 GLN 109 HB2 GLN 109 -6.258 -8.254 1.307 849 HB3 GLN 109 HB3 GLN 109 -7.658 -7.222 1.003 850 HG2 GLN 109 HG2 GLN 109 -8.759 -8.995 -0.249 851 HG3 GLN 109 HG3 GLN 109 -7.329 -10.022 -0.100 852 HE21 GLN 109 HE21 GLN 109 -6.894 -11.024 1.871 853 HE22 GLN 109 HE22 GLN 109 -8.041 -11.100 3.162 854 H ILE 110 H ILE 110 -6.768 -5.253 -1.761 855 HA ILE 110 HA ILE 110 -4.378 -3.951 -0.611 856 HB ILE 110 HB ILE 110 -6.190 -3.074 -2.942 857 HG12 ILE 110 HG12 ILE 110 -3.978 -3.280 -4.300 858 HG13 ILE 110 HG13 ILE 110 -3.347 -4.199 -2.943 859 HG21 ILE 110 HG21 ILE 110 -4.603 -1.202 -3.282 860 HG22 ILE 110 HG22 ILE 110 -3.724 -1.684 -1.830 861 HG23 ILE 110 HG23 ILE 110 -5.390 -1.122 -1.705 862 HD11 ILE 110 HD11 ILE 110 -4.095 -5.645 -4.741 863 HD12 ILE 110 HD12 ILE 110 -5.719 -4.965 -4.649 864 HD13 ILE 110 HD13 ILE 110 -5.076 -5.900 -3.297 865 H SER 111 H SER 111 -4.900 -2.928 1.265 866 HA SER 111 HA SER 111 -7.620 -1.832 1.694 867 HB2 SER 111 HB2 SER 111 -5.496 -2.575 3.770 868 HB3 SER 111 HB3 SER 111 -7.176 -2.136 4.088 869 HG SER 111 HG SER 111 -6.339 -4.509 3.874 870 H VAL 112 H VAL 112 -7.514 0.266 1.097 871 HA VAL 112 HA VAL 112 -5.107 1.871 1.705 872 HB VAL 112 HB VAL 112 -7.378 2.588 -0.228 873 HG11 VAL 112 HG11 VAL 112 -4.639 3.877 0.169 874 HG12 VAL 112 HG12 VAL 112 -6.192 4.557 0.659 875 HG13 VAL 112 HG13 VAL 112 -5.833 4.337 -1.052 876 HG21 VAL 112 HG21 VAL 112 -5.829 2.023 -2.062 877 HG22 VAL 112 HG22 VAL 112 -6.173 0.614 -1.059 878 HG23 VAL 112 HG23 VAL 112 -4.631 1.455 -0.892 879 H LYS 113 H LYS 113 -5.244 3.406 3.156 880 HA LYS 113 HA LYS 113 -7.695 4.917 3.610 881 HB2 LYS 113 HB2 LYS 113 -7.494 4.872 6.055 882 HB3 LYS 113 HB3 LYS 113 -7.728 3.243 5.434 883 HG2 LYS 113 HG2 LYS 113 -5.311 2.788 5.716 884 HG3 LYS 113 HG3 LYS 113 -5.086 4.423 6.342 885 HD2 LYS 113 HD2 LYS 113 -5.210 2.802 8.185 886 HD3 LYS 113 HD3 LYS 113 -6.572 3.920 8.244 887 HE2 LYS 113 HE2 LYS 113 -8.042 2.224 7.266 888 HE3 LYS 113 HE3 LYS 113 -6.684 1.102 7.114 889 HZ1 LYS 113 HZ1 LYS 113 -8.075 0.669 9.073 890 HZ2 LYS 113 HZ2 LYS 113 -7.695 2.197 9.690 891 HZ3 LYS 113 HZ3 LYS 113 -6.483 1.038 9.498 892 H GLN 114 H GLN 114 -7.174 6.958 4.716 893 HA GLN 114 HA GLN 114 -4.409 7.840 4.674 894 HB2 GLN 114 HB2 GLN 114 -4.912 9.705 3.061 895 HB3 GLN 114 HB3 GLN 114 -4.922 8.108 2.327 896 HG2 GLN 114 HG2 GLN 114 -7.366 8.091 2.318 897 HG3 GLN 114 HG3 GLN 114 -7.404 9.658 3.128 898 HE21 GLN 114 HE21 GLN 114 -8.493 8.864 0.502 899 HE22 GLN 114 HE22 GLN 114 -7.770 9.926 -0.653 900 H ASN 115 H ASN 115 -4.295 10.180 5.322 901 HA ASN 115 HA ASN 115 -5.354 10.474 7.874 902 HB2 ASN 115 HB2 ASN 115 -3.278 11.570 6.964 903 HB3 ASN 115 HB3 ASN 115 -4.285 12.710 6.091 904 HD21 ASN 115 HD21 ASN 115 -2.241 13.166 8.165 905 HD22 ASN 115 HD22 ASN 115 -3.027 14.060 9.418 906 H GLU 116 H GLU 116 -6.268 12.245 4.935 907 HA GLU 116 HA GLU 116 -9.041 12.514 5.904 908 HB2 GLU 116 HB2 GLU 116 -7.384 14.731 4.589 909 HB3 GLU 116 HB3 GLU 116 -9.114 14.829 4.913 910 HG2 GLU 116 HG2 GLU 116 -8.682 14.719 7.341 911 HG3 GLU 116 HG3 GLU 116 -6.960 14.536 7.033 912 H ALA 117 H ALA 117 -10.369 11.584 4.382 913 HA ALA 117 HA ALA 117 -9.209 10.481 1.994 914 HB1 ALA 117 HB1 ALA 117 -10.890 9.242 3.282 915 HB2 ALA 117 HB2 ALA 117 -11.439 9.491 1.621 916 HB3 ALA 117 HB3 ALA 117 -12.094 10.481 2.930 917 H ARG 118 H ARG 118 -8.814 11.704 0.259 918 HA ARG 118 HA ARG 118 -10.819 13.702 -0.653 919 HB2 ARG 118 HB2 ARG 118 -8.602 14.623 -0.054 920 HB3 ARG 118 HB3 ARG 118 -7.814 13.498 -1.147 921 HG2 ARG 118 HG2 ARG 118 -8.795 14.626 -3.069 922 HG3 ARG 118 HG3 ARG 118 -9.706 15.709 -2.007 923 HD2 ARG 118 HD2 ARG 118 -7.597 16.640 -1.131 924 HD3 ARG 118 HD3 ARG 118 -6.673 15.525 -2.143 925 HE ARG 118 HE ARG 118 -8.172 16.857 -3.954 926 HH11 ARG 118 HH11 ARG 118 -6.065 18.016 -1.370 927 HH12 ARG 118 HH12 ARG 118 -5.631 19.462 -2.222 928 HH21 ARG 118 HH21 ARG 118 -7.493 18.700 -5.086 929 HH22 ARG 118 HH22 ARG 118 -6.438 19.848 -4.323 930 H THR 119 H THR 119 -11.422 13.569 -2.914 931 HA THR 119 HA THR 119 -11.860 10.926 -3.771 932 HB THR 119 HB THR 119 -12.188 13.444 -5.477 933 HG1 THR 119 HG1 THR 119 -13.431 12.714 -3.189 934 HG21 THR 119 HG21 THR 119 -13.994 12.182 -6.603 935 HG22 THR 119 HG22 THR 119 -13.658 10.776 -5.592 936 HG23 THR 119 HG23 THR 119 -12.457 11.329 -6.760 937 H GLU 120 H GLU 120 -9.768 13.473 -5.166 938 HA GLU 120 HA GLU 120 -8.711 11.921 -7.286 939 HB2 GLU 120 HB2 GLU 120 -7.001 13.709 -7.511 940 HB3 GLU 120 HB3 GLU 120 -8.638 14.350 -7.397 941 HG2 GLU 120 HG2 GLU 120 -8.256 14.883 -5.013 942 HG3 GLU 120 HG3 GLU 120 -6.613 14.260 -5.144 943 H THR 121 H THR 121 -7.479 12.538 -3.972 944 HA THR 121 HA THR 121 -4.947 11.381 -4.306 945 HB THR 121 HB THR 121 -4.943 11.104 -1.799 946 HG1 THR 121 HG1 THR 121 -6.756 11.836 -0.639 947 HG21 THR 121 HG21 THR 121 -4.243 13.258 -2.767 948 HG22 THR 121 HG22 THR 121 -5.099 13.513 -1.246 949 HG23 THR 121 HG23 THR 121 -5.919 13.813 -2.776 950 H LEU 122 H LEU 122 -7.977 9.960 -3.033 951 HA LEU 122 HA LEU 122 -6.968 7.407 -2.495 952 HB2 LEU 122 HB2 LEU 122 -9.054 8.314 -1.523 953 HB3 LEU 122 HB3 LEU 122 -9.820 8.284 -3.104 954 HG LEU 122 HG LEU 122 -9.658 5.791 -3.118 955 HD11 LEU 122 HD11 LEU 122 -7.715 5.480 -1.674 956 HD12 LEU 122 HD12 LEU 122 -9.091 4.555 -1.084 957 HD13 LEU 122 HD13 LEU 122 -8.631 6.058 -0.278 958 HD21 LEU 122 HD21 LEU 122 -11.721 6.874 -2.336 959 HD22 LEU 122 HD22 LEU 122 -11.101 6.891 -0.684 960 HD23 LEU 122 HD23 LEU 122 -11.433 5.356 -1.489 961 H ASN 123 H ASN 123 -8.908 8.528 -5.330 962 HA ASN 123 HA ASN 123 -9.040 5.990 -6.578 963 HB2 ASN 123 HB2 ASN 123 -9.529 8.801 -7.613 964 HB3 ASN 123 HB3 ASN 123 -9.628 7.424 -8.698 965 HD21 ASN 123 HD21 ASN 123 -11.291 9.272 -6.393 966 HD22 ASN 123 HD22 ASN 123 -12.712 8.305 -6.282 967 H SER 124 H SER 124 -6.841 8.753 -7.138 968 HA SER 124 HA SER 124 -5.509 7.585 -9.391 969 HB2 SER 124 HB2 SER 124 -5.596 10.029 -9.045 970 HB3 SER 124 HB3 SER 124 -4.597 9.882 -7.599 971 HG SER 124 HG SER 124 -3.906 9.392 -10.302 972 H PHE 125 H PHE 125 -4.944 7.554 -5.909 973 HA PHE 125 HA PHE 125 -2.317 6.443 -5.903 974 HB2 PHE 125 HB2 PHE 125 -3.354 7.589 -3.956 975 HB3 PHE 125 HB3 PHE 125 -4.504 6.272 -3.782 976 HD1 PHE 125 HD2 PHE 125 -0.908 7.182 -3.525 977 HD2 PHE 125 HD1 PHE 125 -3.895 4.282 -2.572 978 HE1 PHE 125 HE2 PHE 125 0.662 6.062 -2.004 979 HE2 PHE 125 HE1 PHE 125 -2.321 3.171 -1.057 980 HZ PHE 125 HZ PHE 125 -0.042 4.054 -0.762 981 H ILE 126 H ILE 126 -5.559 4.959 -5.652 982 HA ILE 126 HA ILE 126 -4.795 2.236 -5.523 983 HB ILE 126 HB ILE 126 -7.357 3.458 -6.671 984 HG12 ILE 126 HG12 ILE 126 -6.930 2.265 -3.885 985 HG13 ILE 126 HG13 ILE 126 -6.845 3.988 -4.225 986 HG21 ILE 126 HG21 ILE 126 -8.410 1.240 -6.297 987 HG22 ILE 126 HG22 ILE 126 -6.849 0.578 -5.809 988 HG23 ILE 126 HG23 ILE 126 -7.090 1.140 -7.463 989 HD11 ILE 126 HD11 ILE 126 -9.175 3.964 -4.946 990 HD12 ILE 126 HD12 ILE 126 -8.985 3.384 -3.292 991 HD13 ILE 126 HD13 ILE 126 -9.264 2.235 -4.600 992 H SER 127 H SER 127 -5.450 4.417 -8.247 993 HA SER 127 HA SER 127 -5.254 2.640 -10.387 994 HB2 SER 127 HB2 SER 127 -6.095 4.992 -10.535 995 HB3 SER 127 HB3 SER 127 -4.441 5.584 -10.377 996 HG SER 127 HG SER 127 -5.605 4.082 -12.473 997 H VAL 128 H VAL 128 -2.708 4.465 -8.675 998 HA VAL 128 HA VAL 128 -0.464 3.668 -10.178 999 HB VAL 128 HB VAL 128 -0.638 4.299 -7.183 1000 HG11 VAL 128 HG11 VAL 128 1.809 4.670 -7.226 1001 HG12 VAL 128 HG12 VAL 128 1.874 4.102 -8.896 1002 HG13 VAL 128 HG13 VAL 128 1.405 2.994 -7.608 1003 HG21 VAL 128 HG21 VAL 128 -1.296 6.195 -8.602 1004 HG22 VAL 128 HG22 VAL 128 0.208 6.069 -9.514 1005 HG23 VAL 128 HG23 VAL 128 0.243 6.527 -7.808 1006 H LEU 129 H LEU 129 -1.829 2.231 -7.185 1007 HA LEU 129 HA LEU 129 -0.094 0.080 -6.889 1008 HB2 LEU 129 HB2 LEU 129 -3.002 0.280 -6.040 1009 HB3 LEU 129 HB3 LEU 129 -1.862 -0.915 -5.435 1010 HG LEU 129 HG LEU 129 -1.667 2.094 -5.012 1011 HD11 LEU 129 HD11 LEU 129 -3.470 1.115 -3.715 1012 HD12 LEU 129 HD12 LEU 129 -2.145 1.565 -2.644 1013 HD13 LEU 129 HD13 LEU 129 -2.387 -0.129 -3.085 1014 HD21 LEU 129 HD21 LEU 129 0.147 -0.104 -3.946 1015 HD22 LEU 129 HD22 LEU 129 0.213 1.597 -3.480 1016 HD23 LEU 129 HD23 LEU 129 0.584 1.125 -5.136 1017 H GLU 130 H GLU 130 -3.174 0.170 -8.659 1018 HA GLU 130 HA GLU 130 -3.316 -2.543 -9.427 1019 HB2 GLU 130 HB2 GLU 130 -4.438 -0.061 -10.798 1020 HB3 GLU 130 HB3 GLU 130 -4.829 -1.710 -11.278 1021 HG2 GLU 130 HG2 GLU 130 -5.806 -2.108 -9.022 1022 HG3 GLU 130 HG3 GLU 130 -5.482 -0.424 -8.610 1023 H THR 131 H THR 131 -1.835 0.295 -10.997 1024 HA THR 131 HA THR 131 -0.872 -1.027 -13.311 1025 HB THR 131 HB THR 131 0.263 1.453 -11.938 1026 HG1 THR 131 HG1 THR 131 -1.460 2.400 -12.682 1027 HG21 THR 131 HG21 THR 131 1.817 0.550 -13.655 1028 HG22 THR 131 HG22 THR 131 1.098 2.074 -14.174 1029 HG23 THR 131 HG23 THR 131 0.513 0.548 -14.843 1030 H VAL 132 H VAL 132 0.520 -0.594 -10.063 1031 HA VAL 132 HA VAL 132 3.165 -1.483 -10.555 1032 HB VAL 132 HB VAL 132 1.548 -1.668 -7.953 1033 HG11 VAL 132 HG11 VAL 132 4.566 -1.913 -8.332 1034 HG12 VAL 132 HG12 VAL 132 3.468 -3.213 -7.867 1035 HG13 VAL 132 HG13 VAL 132 3.727 -1.851 -6.783 1036 HG21 VAL 132 HG21 VAL 132 1.783 0.629 -8.779 1037 HG22 VAL 132 HG22 VAL 132 3.532 0.439 -8.875 1038 HG23 VAL 132 HG23 VAL 132 2.722 0.393 -7.307 1039 H ILE 133 H ILE 133 0.356 -3.168 -9.214 1040 HA ILE 133 HA ILE 133 1.484 -5.748 -9.008 1041 HB ILE 133 HB ILE 133 -1.445 -4.862 -9.157 1042 HG12 ILE 133 HG12 ILE 133 0.339 -5.511 -6.744 1043 HG13 ILE 133 HG13 ILE 133 -0.246 -3.911 -7.197 1044 HG21 ILE 133 HG21 ILE 133 -2.056 -7.054 -8.201 1045 HG22 ILE 133 HG22 ILE 133 -0.374 -7.574 -8.296 1046 HG23 ILE 133 HG23 ILE 133 -1.275 -7.241 -9.774 1047 HD11 ILE 133 HD11 ILE 133 -1.933 -6.215 -6.238 1048 HD12 ILE 133 HD12 ILE 133 -2.537 -4.630 -6.728 1049 HD13 ILE 133 HD13 ILE 133 -1.480 -4.778 -5.325 1050 H GLY 134 H GLY 134 -0.347 -4.089 -11.536 1051 HA2 GLY 134 HA2 GLY 134 -0.667 -6.191 -13.396 1052 HA3 GLY 134 HA3 GLY 134 -0.672 -4.471 -13.764 1053 H THR 135 H THR 135 1.986 -3.855 -12.905 1054 HA THR 135 HA THR 135 3.531 -4.411 -15.216 1055 HB THR 135 HB THR 135 4.424 -3.359 -12.489 1056 HG1 THR 135 HG1 THR 135 2.902 -2.240 -14.313 1057 HG21 THR 135 HG21 THR 135 5.889 -3.207 -15.155 1058 HG22 THR 135 HG22 THR 135 6.409 -4.112 -13.736 1059 HG23 THR 135 HG23 THR 135 6.366 -2.352 -13.681 1060 H ILE 136 H ILE 136 3.164 -6.067 -12.198 1061 HA ILE 136 HA ILE 136 5.385 -7.906 -12.536 1062 HB ILE 136 HB ILE 136 2.981 -8.129 -10.662 1063 HG12 ILE 136 HG12 ILE 136 5.677 -6.899 -9.917 1064 HG13 ILE 136 HG13 ILE 136 4.334 -5.921 -10.498 1065 HG21 ILE 136 HG21 ILE 136 4.517 -9.517 -9.271 1066 HG22 ILE 136 HG22 ILE 136 5.752 -9.386 -10.523 1067 HG23 ILE 136 HG23 ILE 136 4.237 -10.219 -10.865 1068 HD11 ILE 136 HD11 ILE 136 4.405 -5.850 -8.125 1069 HD12 ILE 136 HD12 ILE 136 4.380 -7.609 -8.019 1070 HD13 ILE 136 HD13 ILE 136 2.968 -6.740 -8.626 1071 H GLU 137 H GLU 137 1.838 -7.897 -12.991 1072 HA GLU 137 HA GLU 137 1.719 -10.751 -13.454 1073 HB2 GLU 137 HB2 GLU 137 -0.472 -8.637 -13.670 1074 HB3 GLU 137 HB3 GLU 137 -0.737 -10.372 -13.776 1075 HG2 GLU 137 HG2 GLU 137 0.203 -8.821 -11.344 1076 HG3 GLU 137 HG3 GLU 137 -1.359 -9.594 -11.573 1077 H GLU 138 H GLU 138 1.765 -11.757 -15.363 1078 HA GLU 138 HA GLU 138 2.646 -10.413 -17.715 1079 HB2 GLU 138 HB2 GLU 138 1.646 -13.274 -17.403 1080 HB3 GLU 138 HB3 GLU 138 2.660 -12.665 -18.711 1081 HG2 GLU 138 HG2 GLU 138 4.493 -12.273 -17.103 1082 HG3 GLU 138 HG3 GLU 138 3.458 -12.834 -15.792 1083 H ILE 139 H ILE 139 1.311 -9.262 -19.033 1084 HA ILE 139 HA ILE 139 -1.550 -9.543 -19.051 1085 HB ILE 139 HB ILE 139 0.197 -7.929 -20.992 1086 HG12 ILE 139 HG12 ILE 139 -0.756 -5.927 -19.548 1087 HG13 ILE 139 HG13 ILE 139 -1.046 -7.152 -18.322 1088 HG21 ILE 139 HG21 ILE 139 -1.865 -6.664 -21.508 1089 HG22 ILE 139 HG22 ILE 139 -2.786 -7.736 -20.451 1090 HG23 ILE 139 HG23 ILE 139 -2.028 -8.374 -21.909 1091 HD11 ILE 139 HD11 ILE 139 1.638 -6.432 -19.503 1092 HD12 ILE 139 HD12 ILE 139 1.351 -7.635 -18.243 1093 HD13 ILE 139 HD13 ILE 139 1.017 -5.932 -17.929 1094 H LYS 140 H LYS 140 -1.960 -11.659 -19.659 1095 HA LYS 140 HA LYS 140 -1.303 -12.528 -22.418 1096 HB2 LYS 140 HB2 LYS 140 -1.139 -14.099 -19.817 1097 HB3 LYS 140 HB3 LYS 140 -1.277 -14.909 -21.369 1098 HG2 LYS 140 HG2 LYS 140 0.965 -12.982 -20.698 1099 HG3 LYS 140 HG3 LYS 140 1.065 -14.727 -20.437 1100 HD2 LYS 140 HD2 LYS 140 0.687 -15.101 -22.866 1101 HD3 LYS 140 HD3 LYS 140 0.621 -13.354 -23.122 1102 HE2 LYS 140 HE2 LYS 140 3.020 -14.900 -22.086 1103 HE3 LYS 140 HE3 LYS 140 2.820 -14.298 -23.731 1104 HZ1 LYS 140 HZ1 LYS 140 2.987 -12.640 -21.277 1105 HZ2 LYS 140 HZ2 LYS 140 2.739 -12.050 -22.841 1106 HZ3 LYS 140 HZ3 LYS 140 4.191 -12.820 -22.449 1107 H SER 141 H SER 141 -3.368 -11.646 -22.975 1108 HA SER 141 HA SER 141 -5.759 -13.038 -21.969 1109 HB2 SER 141 HB2 SER 141 -5.819 -10.561 -22.143 1110 HB3 SER 141 HB3 SER 141 -5.533 -10.662 -23.878 1111 HG SER 141 HG SER 141 -7.772 -10.409 -23.237 Start of MODEL 20 1 H1 MET 1 H1 MET 1 -49.269 1.431 2.193 2 H2 MET 1 H2 MET 1 -49.608 2.943 1.532 3 H3 MET 1 H3 MET 1 -50.220 2.534 3.055 4 HA MET 1 HA MET 1 -48.337 4.042 3.202 5 HB2 MET 1 HB2 MET 1 -47.810 1.227 4.249 6 HB3 MET 1 HB3 MET 1 -46.943 2.657 4.792 7 HG2 MET 1 HG2 MET 1 -49.097 3.593 5.616 8 HG3 MET 1 HG3 MET 1 -49.890 2.084 5.158 9 HE1 MET 1 HE1 MET 1 -49.717 1.906 9.114 10 HE2 MET 1 HE2 MET 1 -50.793 1.844 7.720 11 HE3 MET 1 HE3 MET 1 -49.969 3.351 8.135 12 H GLY 2 H GLY 2 -45.843 3.938 3.285 13 HA2 GLY 2 HA2 GLY 2 -43.933 2.707 2.102 14 HA3 GLY 2 HA3 GLY 2 -44.847 3.042 0.631 15 H HIS 3 H HIS 3 -42.199 3.934 1.176 16 HA HIS 3 HA HIS 3 -42.543 6.822 0.739 17 HB2 HIS 3 HB2 HIS 3 -40.603 5.655 2.810 18 HB3 HIS 3 HB3 HIS 3 -40.527 7.309 2.207 19 HD1 HIS 3 HD1 HIS 3 -42.160 5.210 4.744 20 HD2 HIS 3 HD2 HIS 3 -42.809 8.924 3.005 21 HE1 HIS 3 HE1 HIS 3 -43.799 6.387 6.239 22 HE2 HIS 3 HE2 HIS 3 -44.363 8.497 5.010 23 H HIS 4 H HIS 4 -41.088 7.630 -0.734 24 HA HIS 4 HA HIS 4 -38.738 6.207 -1.594 25 HB2 HIS 4 HB2 HIS 4 -39.469 5.888 -3.967 26 HB3 HIS 4 HB3 HIS 4 -40.429 4.920 -2.848 27 HD1 HIS 4 HD1 HIS 4 -40.713 7.394 -5.519 28 HD2 HIS 4 HD2 HIS 4 -43.123 6.017 -2.425 29 HE1 HIS 4 HE1 HIS 4 -43.028 8.198 -6.058 30 HE2 HIS 4 HE2 HIS 4 -44.455 7.428 -4.139 31 H HIS 5 H HIS 5 -37.474 7.982 -1.356 32 HA HIS 5 HA HIS 5 -37.783 10.138 -3.333 33 HB2 HIS 5 HB2 HIS 5 -37.505 10.597 -0.333 34 HB3 HIS 5 HB3 HIS 5 -36.893 11.783 -1.481 35 HD1 HIS 5 HD1 HIS 5 -38.671 12.989 -2.988 36 HD2 HIS 5 HD2 HIS 5 -40.275 10.657 0.054 37 HE1 HIS 5 HE1 HIS 5 -41.065 13.706 -2.783 38 HE2 HIS 5 HE2 HIS 5 -42.048 12.207 -1.027 39 H HIS 6 H HIS 6 -36.278 8.683 -4.312 40 HA HIS 6 HA HIS 6 -33.800 7.939 -3.114 41 HB2 HIS 6 HB2 HIS 6 -34.533 7.938 -6.079 42 HB3 HIS 6 HB3 HIS 6 -33.243 7.009 -5.319 43 HD1 HIS 6 HD1 HIS 6 -36.239 6.271 -6.791 44 HD2 HIS 6 HD2 HIS 6 -34.807 5.450 -2.970 45 HE1 HIS 6 HE1 HIS 6 -37.567 4.301 -5.978 46 HE2 HIS 6 HE2 HIS 6 -36.758 3.894 -3.639 47 H HIS 7 H HIS 7 -32.068 9.234 -2.801 48 HA HIS 7 HA HIS 7 -32.010 11.917 -3.741 49 HB2 HIS 7 HB2 HIS 7 -29.916 12.155 -2.448 50 HB3 HIS 7 HB3 HIS 7 -31.162 11.367 -1.502 51 HD1 HIS 7 HD1 HIS 7 -30.791 8.760 -1.034 52 HD2 HIS 7 HD2 HIS 7 -27.535 10.763 -2.667 53 HE1 HIS 7 HE1 HIS 7 -28.801 7.268 -0.642 54 HE2 HIS 7 HE2 HIS 7 -26.849 8.562 -1.529 55 H HIS 8 H HIS 8 -31.940 11.971 -5.919 56 HA HIS 8 HA HIS 8 -29.864 10.550 -7.440 57 HB2 HIS 8 HB2 HIS 8 -31.268 11.215 -9.445 58 HB3 HIS 8 HB3 HIS 8 -32.065 10.160 -8.293 59 HD1 HIS 8 HD1 HIS 8 -34.297 10.887 -7.465 60 HD2 HIS 8 HD2 HIS 8 -32.225 14.021 -9.252 61 HE1 HIS 8 HE1 HIS 8 -35.938 12.776 -7.629 62 HE2 HIS 8 HE2 HIS 8 -34.648 14.685 -8.634 63 H SER 9 H SER 9 -29.910 13.440 -5.960 64 HA SER 9 HA SER 9 -28.613 14.975 -8.119 65 HB2 SER 9 HB2 SER 9 -28.747 16.883 -6.531 66 HB3 SER 9 HB3 SER 9 -30.335 16.135 -6.729 67 HG SER 9 HG SER 9 -28.541 15.984 -4.561 68 H HIS 10 H HIS 10 -26.405 15.186 -8.188 69 HA HIS 10 HA HIS 10 -24.762 14.094 -5.952 70 HB2 HIS 10 HB2 HIS 10 -24.322 14.151 -8.971 71 HB3 HIS 10 HB3 HIS 10 -22.975 13.919 -7.859 72 HD1 HIS 10 HD1 HIS 10 -22.416 11.531 -7.571 73 HD2 HIS 10 HD2 HIS 10 -26.477 12.063 -8.283 74 HE1 HIS 10 HE1 HIS 10 -23.411 9.228 -7.580 75 HE2 HIS 10 HE2 HIS 10 -25.814 9.570 -8.210 76 H MET 11 H MET 11 -22.830 15.210 -5.382 77 HA MET 11 HA MET 11 -22.813 18.083 -5.785 78 HB2 MET 11 HB2 MET 11 -22.133 17.140 -3.599 79 HB3 MET 11 HB3 MET 11 -20.828 16.232 -4.362 80 HG2 MET 11 HG2 MET 11 -19.997 18.245 -3.218 81 HG3 MET 11 HG3 MET 11 -19.695 18.318 -4.955 82 HE1 MET 11 HE1 MET 11 -20.318 22.074 -4.583 83 HE2 MET 11 HE2 MET 11 -19.361 20.794 -5.330 84 HE3 MET 11 HE3 MET 11 -19.307 21.036 -3.581 85 H GLN 12 H GLN 12 -22.251 18.691 -7.823 86 HA GLN 12 HA GLN 12 -20.038 17.467 -9.272 87 HB2 GLN 12 HB2 GLN 12 -21.721 19.941 -9.913 88 HB3 GLN 12 HB3 GLN 12 -20.419 19.343 -10.932 89 HG2 GLN 12 HG2 GLN 12 -22.413 18.551 -11.937 90 HG3 GLN 12 HG3 GLN 12 -21.704 17.157 -11.122 91 HE21 GLN 12 HE21 GLN 12 -23.704 16.061 -10.996 92 HE22 GLN 12 HE22 GLN 12 -24.965 16.584 -9.934 93 H GLU 13 H GLU 13 -17.992 17.917 -8.697 94 HA GLU 13 HA GLU 13 -17.238 20.598 -7.721 95 HB2 GLU 13 HB2 GLU 13 -16.140 19.687 -5.718 96 HB3 GLU 13 HB3 GLU 13 -17.855 19.308 -5.697 97 HG2 GLU 13 HG2 GLU 13 -17.340 17.005 -6.462 98 HG3 GLU 13 HG3 GLU 13 -15.623 17.397 -6.437 99 H LEU 14 H LEU 14 -15.208 21.194 -8.283 100 HA LEU 14 HA LEU 14 -13.481 19.358 -9.783 101 HB2 LEU 14 HB2 LEU 14 -13.185 22.360 -9.261 102 HB3 LEU 14 HB3 LEU 14 -12.107 21.388 -10.248 103 HG LEU 14 HG LEU 14 -14.120 20.908 -11.780 104 HD11 LEU 14 HD11 LEU 14 -15.371 23.203 -10.255 105 HD12 LEU 14 HD12 LEU 14 -15.927 21.528 -10.275 106 HD13 LEU 14 HD13 LEU 14 -15.987 22.490 -11.749 107 HD21 LEU 14 HD21 LEU 14 -13.886 23.030 -12.998 108 HD22 LEU 14 HD22 LEU 14 -12.333 22.427 -12.429 109 HD23 LEU 14 HD23 LEU 14 -13.120 23.762 -11.585 110 HA PRO 15 HA PRO 15 -11.518 18.271 -5.951 111 HB2 PRO 15 HB2 PRO 15 -9.081 17.628 -7.574 112 HB3 PRO 15 HB3 PRO 15 -10.014 16.582 -6.480 113 HG2 PRO 15 HG2 PRO 15 -10.225 16.265 -9.105 114 HG3 PRO 15 HG3 PRO 15 -11.680 16.164 -8.082 115 HD2 PRO 15 HD2 PRO 15 -10.722 18.473 -9.781 116 HD3 PRO 15 HD3 PRO 15 -12.364 17.802 -9.616 117 H ASP 16 H ASP 16 -11.154 20.054 -4.711 118 HA ASP 16 HA ASP 16 -9.008 21.931 -5.202 119 HB2 ASP 16 HB2 ASP 16 -10.908 21.617 -2.851 120 HB3 ASP 16 HB3 ASP 16 -9.647 22.848 -2.911 121 H SER 17 H SER 17 -7.466 20.267 -5.405 122 HA SER 17 HA SER 17 -5.815 19.845 -3.079 123 HB2 SER 17 HB2 SER 17 -7.032 17.463 -4.575 124 HB3 SER 17 HB3 SER 17 -5.662 17.331 -3.471 125 HG SER 17 HG SER 17 -7.249 18.455 -1.957 126 H GLY 18 H GLY 18 -3.656 19.550 -3.745 127 HA2 GLY 18 HA2 GLY 18 -2.896 20.264 -6.391 128 HA3 GLY 18 HA3 GLY 18 -1.832 19.657 -5.128 129 H ALA 19 H ALA 19 -1.668 18.978 -7.902 130 HA ALA 19 HA ALA 19 -2.727 16.451 -8.552 131 HB1 ALA 19 HB1 ALA 19 -0.107 17.667 -9.513 132 HB2 ALA 19 HB2 ALA 19 -1.692 17.896 -10.252 133 HB3 ALA 19 HB3 ALA 19 -0.941 16.300 -10.253 134 H LEU 20 H LEU 20 -2.219 14.411 -7.924 135 HA LEU 20 HA LEU 20 -0.779 14.110 -5.489 136 HB2 LEU 20 HB2 LEU 20 -2.846 12.780 -6.140 137 HB3 LEU 20 HB3 LEU 20 -1.865 11.897 -7.293 138 HG LEU 20 HG LEU 20 -0.448 11.053 -5.369 139 HD11 LEU 20 HD11 LEU 20 -2.583 12.295 -3.624 140 HD12 LEU 20 HD12 LEU 20 -0.919 12.858 -3.785 141 HD13 LEU 20 HD13 LEU 20 -1.244 11.275 -3.090 142 HD21 LEU 20 HD21 LEU 20 -2.249 9.652 -6.296 143 HD22 LEU 20 HD22 LEU 20 -3.394 10.362 -5.157 144 HD23 LEU 20 HD23 LEU 20 -2.050 9.384 -4.564 145 H MET 21 H MET 21 1.355 14.444 -5.655 146 HA MET 21 HA MET 21 2.995 12.717 -7.435 147 HB2 MET 21 HB2 MET 21 3.325 15.084 -8.026 148 HB3 MET 21 HB3 MET 21 3.571 15.524 -6.342 149 HG2 MET 21 HG2 MET 21 5.643 14.048 -6.382 150 HG3 MET 21 HG3 MET 21 5.426 13.936 -8.129 151 HE1 MET 21 HE1 MET 21 7.917 14.900 -8.483 152 HE2 MET 21 HE2 MET 21 8.109 14.986 -6.730 153 HE3 MET 21 HE3 MET 21 8.484 16.390 -7.729 154 H LEU 22 H LEU 22 3.308 11.005 -6.053 155 HA LEU 22 HA LEU 22 3.676 11.353 -3.229 156 HB2 LEU 22 HB2 LEU 22 3.857 8.896 -5.023 157 HB3 LEU 22 HB3 LEU 22 3.974 8.842 -3.271 158 HG LEU 22 HG LEU 22 1.528 9.894 -4.742 159 HD11 LEU 22 HD11 LEU 22 0.440 7.767 -4.296 160 HD12 LEU 22 HD12 LEU 22 1.921 7.126 -3.584 161 HD13 LEU 22 HD13 LEU 22 1.871 7.534 -5.300 162 HD21 LEU 22 HD21 LEU 22 0.385 9.633 -2.599 163 HD22 LEU 22 HD22 LEU 22 1.750 10.735 -2.456 164 HD23 LEU 22 HD23 LEU 22 1.884 9.088 -1.845 165 H VAL 23 H VAL 23 5.516 11.560 -2.203 166 HA VAL 23 HA VAL 23 8.124 11.049 -3.519 167 HB VAL 23 HB VAL 23 9.011 13.080 -2.342 168 HG11 VAL 23 HG11 VAL 23 6.710 13.677 -4.236 169 HG12 VAL 23 HG12 VAL 23 8.359 13.250 -4.696 170 HG13 VAL 23 HG13 VAL 23 8.047 14.771 -3.860 171 HG21 VAL 23 HG21 VAL 23 7.467 14.778 -1.380 172 HG22 VAL 23 HG22 VAL 23 7.382 13.256 -0.495 173 HG23 VAL 23 HG23 VAL 23 6.103 13.680 -1.631 174 HA PRO 24 HA PRO 24 8.709 8.778 0.415 175 HB2 PRO 24 HB2 PRO 24 11.633 8.756 -0.196 176 HB3 PRO 24 HB3 PRO 24 10.506 7.390 -0.077 177 HG2 PRO 24 HG2 PRO 24 11.540 8.157 -2.443 178 HG3 PRO 24 HG3 PRO 24 9.879 7.524 -2.323 179 HD2 PRO 24 HD2 PRO 24 10.799 10.405 -2.474 180 HD3 PRO 24 HD3 PRO 24 9.481 9.600 -3.359 181 H ASN 25 H ASN 25 8.094 10.832 1.417 182 HA ASN 25 HA ASN 25 10.039 12.893 1.955 183 HB2 ASN 25 HB2 ASN 25 7.643 13.436 1.492 184 HB3 ASN 25 HB3 ASN 25 7.164 12.581 2.960 185 HD21 ASN 25 HD21 ASN 25 6.227 14.509 3.825 186 HD22 ASN 25 HD22 ASN 25 7.203 15.806 4.416 187 H ARG 26 H ARG 26 7.858 11.392 4.372 188 HA ARG 26 HA ARG 26 10.116 11.154 6.260 189 HB2 ARG 26 HB2 ARG 26 7.161 11.631 6.595 190 HB3 ARG 26 HB3 ARG 26 7.934 10.650 7.832 191 HG2 ARG 26 HG2 ARG 26 7.771 13.046 8.448 192 HG3 ARG 26 HG3 ARG 26 9.428 12.452 8.431 193 HD2 ARG 26 HD2 ARG 26 9.801 13.553 6.251 194 HD3 ARG 26 HD3 ARG 26 8.127 14.128 6.248 195 HE ARG 26 HE ARG 26 9.314 14.971 8.622 196 HH11 ARG 26 HH11 ARG 26 9.708 15.672 5.162 197 HH12 ARG 26 HH12 ARG 26 10.296 17.278 5.454 198 HH21 ARG 26 HH21 ARG 26 10.119 17.054 8.953 199 HH22 ARG 26 HH22 ARG 26 10.526 18.055 7.595 200 H GLN 27 H GLN 27 10.933 9.187 6.684 201 HA GLN 27 HA GLN 27 9.654 6.785 5.697 202 HB2 GLN 27 HB2 GLN 27 11.659 5.585 6.607 203 HB3 GLN 27 HB3 GLN 27 12.051 6.849 5.454 204 HG2 GLN 27 HG2 GLN 27 12.743 8.335 7.286 205 HG3 GLN 27 HG3 GLN 27 12.325 7.096 8.469 206 HE21 GLN 27 HE21 GLN 27 14.922 8.409 7.858 207 HE22 GLN 27 HE22 GLN 27 16.020 7.116 7.524 208 H LEU 28 H LEU 28 8.112 5.770 6.798 209 HA LEU 28 HA LEU 28 7.689 6.409 9.635 210 HB2 LEU 28 HB2 LEU 28 5.875 4.785 7.810 211 HB3 LEU 28 HB3 LEU 28 5.459 5.502 9.357 212 HG LEU 28 HG LEU 28 5.892 6.918 6.706 213 HD11 LEU 28 HD11 LEU 28 3.673 5.954 7.054 214 HD12 LEU 28 HD12 LEU 28 3.599 7.712 7.039 215 HD13 LEU 28 HD13 LEU 28 3.501 6.840 8.572 216 HD21 LEU 28 HD21 LEU 28 5.539 9.073 7.855 217 HD22 LEU 28 HD22 LEU 28 7.030 8.284 8.363 218 HD23 LEU 28 HD23 LEU 28 5.615 8.249 9.417 219 H THR 29 H THR 29 7.906 4.978 11.252 220 HA THR 29 HA THR 29 9.133 2.389 10.881 221 HB THR 29 HB THR 29 8.844 2.240 13.400 222 HG1 THR 29 HG1 THR 29 7.963 4.941 13.248 223 HG21 THR 29 HG21 THR 29 10.475 4.006 13.951 224 HG22 THR 29 HG22 THR 29 10.166 4.786 12.399 225 HG23 THR 29 HG23 THR 29 10.914 3.188 12.448 226 H ALA 30 H ALA 30 8.131 0.384 11.744 227 HA ALA 30 HA ALA 30 5.491 -0.115 10.901 228 HB1 ALA 30 HB1 ALA 30 5.756 -2.320 11.990 229 HB2 ALA 30 HB2 ALA 30 7.196 -1.739 12.833 230 HB3 ALA 30 HB3 ALA 30 7.199 -1.879 11.074 231 H ASP 31 H ASP 31 6.788 0.899 14.014 232 HA ASP 31 HA ASP 31 4.480 0.609 15.613 233 HB2 ASP 31 HB2 ASP 31 6.687 2.705 15.894 234 HB3 ASP 31 HB3 ASP 31 5.582 2.176 17.159 235 H TYR 32 H TYR 32 5.741 3.400 13.750 236 HA TYR 32 HA TYR 32 3.689 5.224 14.532 237 HB2 TYR 32 HB2 TYR 32 5.918 6.003 13.700 238 HB3 TYR 32 HB3 TYR 32 5.541 5.389 12.094 239 HD1 TYR 32 HD2 TYR 32 4.710 8.004 14.598 240 HD2 TYR 32 HD1 TYR 32 4.067 6.680 10.589 241 HE1 TYR 32 HE2 TYR 32 3.659 10.152 14.049 242 HE2 TYR 32 HE1 TYR 32 3.017 8.838 10.041 243 HH TYR 32 HH TYR 32 3.224 11.542 12.068 244 H PHE 33 H PHE 33 4.197 3.195 11.640 245 HA PHE 33 HA PHE 33 1.995 3.941 10.093 246 HB2 PHE 33 HB2 PHE 33 3.799 2.352 9.322 247 HB3 PHE 33 HB3 PHE 33 3.112 1.097 10.345 248 HD1 PHE 33 HD1 PHE 33 0.625 0.372 9.817 249 HD2 PHE 33 HD2 PHE 33 3.034 2.613 7.089 250 HE1 PHE 33 HE1 PHE 33 -0.877 -0.255 7.973 251 HE2 PHE 33 HE2 PHE 33 1.530 1.968 5.257 252 HZ PHE 33 HZ PHE 33 -0.433 0.553 5.693 253 H GLU 34 H GLU 34 2.280 1.332 12.507 254 HA GLU 34 HA GLU 34 -0.325 0.321 12.421 255 HB2 GLU 34 HB2 GLU 34 1.612 -0.817 13.476 256 HB3 GLU 34 HB3 GLU 34 1.663 0.411 14.738 257 HG2 GLU 34 HG2 GLU 34 0.659 -1.637 15.583 258 HG3 GLU 34 HG3 GLU 34 -0.540 -0.346 15.551 259 H LYS 35 H LYS 35 1.118 2.832 14.435 260 HA LYS 35 HA LYS 35 -0.985 3.403 16.200 261 HB2 LYS 35 HB2 LYS 35 1.363 4.153 16.500 262 HB3 LYS 35 HB3 LYS 35 1.216 5.212 15.101 263 HG2 LYS 35 HG2 LYS 35 -0.551 6.492 16.324 264 HG3 LYS 35 HG3 LYS 35 -0.250 5.481 17.740 265 HD2 LYS 35 HD2 LYS 35 2.111 6.295 17.795 266 HD3 LYS 35 HD3 LYS 35 1.772 7.322 16.396 267 HE2 LYS 35 HE2 LYS 35 0.044 8.512 17.722 268 HE3 LYS 35 HE3 LYS 35 0.458 7.518 19.118 269 HZ1 LYS 35 HZ1 LYS 35 1.548 9.661 19.218 270 HZ2 LYS 35 HZ2 LYS 35 2.296 9.395 17.724 271 HZ3 LYS 35 HZ3 LYS 35 2.698 8.431 19.058 272 H THR 36 H THR 36 -0.035 4.952 13.155 273 HA THR 36 HA THR 36 -2.112 6.897 13.086 274 HB THR 36 HB THR 36 -0.351 5.934 10.765 275 HG1 THR 36 HG1 THR 36 1.257 6.925 11.724 276 HG21 THR 36 HG21 THR 36 -1.653 8.644 11.248 277 HG22 THR 36 HG22 THR 36 -2.193 7.456 10.057 278 HG23 THR 36 HG23 THR 36 -0.612 8.220 9.893 279 H TRP 37 H TRP 37 -1.740 3.645 11.813 280 HA TRP 37 HA TRP 37 -3.920 3.498 10.025 281 HB2 TRP 37 HB2 TRP 37 -2.074 1.843 10.082 282 HB3 TRP 37 HB3 TRP 37 -2.574 1.308 11.682 283 HD1 TRP 37 HD1 TRP 37 -4.656 -0.372 11.814 284 HE1 TRP 37 HE1 TRP 37 -5.866 -1.795 10.056 285 HE3 TRP 37 HE3 TRP 37 -2.818 1.798 7.556 286 HZ2 TRP 37 HZ2 TRP 37 -6.002 -2.024 7.258 287 HZ3 TRP 37 HZ3 TRP 37 -3.530 0.903 5.377 288 HH2 TRP 37 HH2 TRP 37 -5.091 -0.970 5.229 289 H LEU 38 H LEU 38 -3.629 2.756 13.506 290 HA LEU 38 HA LEU 38 -6.365 2.015 13.902 291 HB2 LEU 38 HB2 LEU 38 -4.299 2.975 15.928 292 HB3 LEU 38 HB3 LEU 38 -5.822 2.196 16.327 293 HG LEU 38 HG LEU 38 -3.548 0.877 14.799 294 HD11 LEU 38 HD11 LEU 38 -2.931 1.317 17.128 295 HD12 LEU 38 HD12 LEU 38 -3.102 -0.406 16.816 296 HD13 LEU 38 HD13 LEU 38 -4.372 0.459 17.688 297 HD21 LEU 38 HD21 LEU 38 -4.793 -1.218 15.106 298 HD22 LEU 38 HD22 LEU 38 -5.704 -0.053 14.150 299 HD23 LEU 38 HD23 LEU 38 -6.128 -0.327 15.842 300 H SER 39 H SER 39 -4.603 5.050 13.920 301 HA SER 39 HA SER 39 -6.589 6.670 15.200 302 HB2 SER 39 HB2 SER 39 -4.306 7.479 13.332 303 HB3 SER 39 HB3 SER 39 -5.230 8.579 14.362 304 HG SER 39 HG SER 39 -3.954 6.351 15.501 305 H LEU 40 H LEU 40 -6.216 5.443 11.934 306 HA LEU 40 HA LEU 40 -8.120 7.444 10.850 307 HB2 LEU 40 HB2 LEU 40 -5.963 5.773 9.489 308 HB3 LEU 40 HB3 LEU 40 -7.132 6.751 8.616 309 HG LEU 40 HG LEU 40 -5.079 7.864 10.567 310 HD11 LEU 40 HD11 LEU 40 -3.987 6.946 8.578 311 HD12 LEU 40 HD12 LEU 40 -3.890 8.703 8.590 312 HD13 LEU 40 HD13 LEU 40 -5.049 7.891 7.531 313 HD21 LEU 40 HD21 LEU 40 -6.992 9.248 8.672 314 HD22 LEU 40 HD22 LEU 40 -5.750 10.052 9.641 315 HD23 LEU 40 HD23 LEU 40 -7.093 9.233 10.435 316 H LYS 41 H LYS 41 -9.682 6.625 9.275 317 HA LYS 41 HA LYS 41 -10.627 3.888 9.907 318 HB2 LYS 41 HB2 LYS 41 -12.104 6.288 8.740 319 HB3 LYS 41 HB3 LYS 41 -12.829 4.701 8.978 320 HG2 LYS 41 HG2 LYS 41 -12.506 4.888 11.403 321 HG3 LYS 41 HG3 LYS 41 -11.719 6.454 11.196 322 HD2 LYS 41 HD2 LYS 41 -13.793 7.439 10.366 323 HD3 LYS 41 HD3 LYS 41 -14.596 5.866 10.396 324 HE2 LYS 41 HE2 LYS 41 -14.359 5.802 12.861 325 HE3 LYS 41 HE3 LYS 41 -13.566 7.380 12.821 326 HZ1 LYS 41 HZ1 LYS 41 -16.345 6.832 11.915 327 HZ2 LYS 41 HZ2 LYS 41 -15.589 8.346 11.931 328 HZ3 LYS 41 HZ3 LYS 41 -15.914 7.550 13.384 329 H VAL 42 H VAL 42 -11.242 2.459 8.216 330 HA VAL 42 HA VAL 42 -9.631 2.399 5.912 331 HB VAL 42 HB VAL 42 -12.227 0.861 6.435 332 HG11 VAL 42 HG11 VAL 42 -10.000 0.216 4.459 333 HG12 VAL 42 HG12 VAL 42 -11.621 0.781 4.048 334 HG13 VAL 42 HG13 VAL 42 -11.404 -0.800 4.801 335 HG21 VAL 42 HG21 VAL 42 -10.557 0.491 8.210 336 HG22 VAL 42 HG22 VAL 42 -9.353 0.031 7.005 337 HG23 VAL 42 HG23 VAL 42 -10.787 -0.970 7.249 338 H ALA 43 H ALA 43 -9.790 3.536 4.118 339 HA ALA 43 HA ALA 43 -12.113 5.211 3.524 340 HB1 ALA 43 HB1 ALA 43 -10.638 6.178 1.789 341 HB2 ALA 43 HB2 ALA 43 -9.412 4.954 2.138 342 HB3 ALA 43 HB3 ALA 43 -9.841 6.148 3.364 343 H HIS 44 H HIS 44 -10.211 2.634 2.122 344 HA HIS 44 HA HIS 44 -12.417 1.652 0.483 345 HB2 HIS 44 HB2 HIS 44 -11.244 3.282 -0.931 346 HB3 HIS 44 HB3 HIS 44 -9.690 2.534 -0.589 347 HD2 HIS 44 HD2 HIS 44 -9.122 0.222 -2.085 348 HE1 HIS 44 HE1 HIS 44 -12.435 0.713 -4.660 349 HE2 HIS 44 HE2 HIS 44 -10.113 -0.253 -4.427 350 H GLN 45 H GLN 45 -12.210 -0.545 0.015 351 HA GLN 45 HA GLN 45 -9.695 -1.938 0.374 352 HB2 GLN 45 HB2 GLN 45 -10.849 -2.050 2.629 353 HB3 GLN 45 HB3 GLN 45 -12.195 -2.890 1.867 354 HG2 GLN 45 HG2 GLN 45 -10.699 -4.757 1.273 355 HG3 GLN 45 HG3 GLN 45 -9.333 -3.897 1.992 356 HE21 GLN 45 HE21 GLN 45 -8.891 -5.375 3.605 357 HE22 GLN 45 HE22 GLN 45 -9.964 -5.727 4.909 358 H GLN 46 H GLN 46 -9.496 -3.219 -1.343 359 HA GLN 46 HA GLN 46 -11.848 -4.151 -2.870 360 HB2 GLN 46 HB2 GLN 46 -11.083 -1.979 -3.840 361 HB3 GLN 46 HB3 GLN 46 -9.459 -2.627 -4.022 362 HG2 GLN 46 HG2 GLN 46 -10.355 -4.317 -5.625 363 HG3 GLN 46 HG3 GLN 46 -11.946 -3.567 -5.479 364 HE21 GLN 46 HE21 GLN 46 -11.933 -3.101 -7.724 365 HE22 GLN 46 HE22 GLN 46 -10.982 -1.819 -8.376 366 H VAL 47 H VAL 47 -11.561 -6.188 -3.515 367 HA VAL 47 HA VAL 47 -8.988 -7.521 -3.007 368 HB VAL 47 HB VAL 47 -11.762 -8.719 -3.499 369 HG11 VAL 47 HG11 VAL 47 -9.215 -10.043 -2.518 370 HG12 VAL 47 HG12 VAL 47 -9.956 -10.262 -4.105 371 HG13 VAL 47 HG13 VAL 47 -10.795 -10.817 -2.657 372 HG21 VAL 47 HG21 VAL 47 -10.295 -8.294 -0.864 373 HG22 VAL 47 HG22 VAL 47 -11.835 -9.134 -1.061 374 HG23 VAL 47 HG23 VAL 47 -11.721 -7.411 -1.414 375 H LEU 48 H LEU 48 -7.742 -8.126 -4.656 376 HA LEU 48 HA LEU 48 -8.813 -8.389 -7.397 377 HB2 LEU 48 HB2 LEU 48 -6.146 -7.218 -6.480 378 HB3 LEU 48 HB3 LEU 48 -6.422 -7.775 -8.119 379 HG LEU 48 HG LEU 48 -8.407 -6.065 -8.153 380 HD11 LEU 48 HD11 LEU 48 -8.448 -5.528 -5.780 381 HD12 LEU 48 HD12 LEU 48 -8.158 -4.096 -6.762 382 HD13 LEU 48 HD13 LEU 48 -6.821 -4.852 -5.889 383 HD21 LEU 48 HD21 LEU 48 -6.928 -4.285 -8.936 384 HD22 LEU 48 HD22 LEU 48 -6.421 -5.871 -9.526 385 HD23 LEU 48 HD23 LEU 48 -5.543 -5.100 -8.199 386 HA PRO 49 HA PRO 49 -6.687 -12.442 -7.120 387 HB2 PRO 49 HB2 PRO 49 -6.543 -13.110 -9.753 388 HB3 PRO 49 HB3 PRO 49 -8.102 -13.053 -8.905 389 HG2 PRO 49 HG2 PRO 49 -6.883 -11.002 -10.728 390 HG3 PRO 49 HG3 PRO 49 -8.560 -11.592 -10.667 391 HD2 PRO 49 HD2 PRO 49 -7.724 -9.233 -9.499 392 HD3 PRO 49 HD3 PRO 49 -9.121 -10.172 -8.935 393 H TRP 50 H TRP 50 -4.630 -13.516 -8.115 394 HA TRP 50 HA TRP 50 -2.610 -11.563 -9.039 395 HB2 TRP 50 HB2 TRP 50 -2.157 -12.028 -6.617 396 HB3 TRP 50 HB3 TRP 50 -2.045 -13.753 -6.975 397 HD1 TRP 50 HD1 TRP 50 0.180 -14.608 -8.239 398 HE1 TRP 50 HE1 TRP 50 2.442 -13.520 -8.752 399 HE3 TRP 50 HE3 TRP 50 -0.924 -9.765 -7.006 400 HZ2 TRP 50 HZ2 TRP 50 3.631 -10.988 -8.628 401 HZ3 TRP 50 HZ3 TRP 50 0.851 -8.072 -7.218 402 HH2 TRP 50 HH2 TRP 50 3.080 -8.671 -8.010 403 H ARG 51 H ARG 51 -1.926 -12.176 -11.020 404 HA ARG 51 HA ARG 51 -2.341 -14.890 -12.003 405 HB2 ARG 51 HB2 ARG 51 -1.109 -12.459 -13.381 406 HB3 ARG 51 HB3 ARG 51 -1.327 -14.023 -14.152 407 HG2 ARG 51 HG2 ARG 51 -3.117 -12.693 -14.931 408 HG3 ARG 51 HG3 ARG 51 -3.839 -13.747 -13.716 409 HD2 ARG 51 HD2 ARG 51 -3.745 -11.907 -12.073 410 HD3 ARG 51 HD3 ARG 51 -2.999 -10.861 -13.284 411 HE ARG 51 HE ARG 51 -5.373 -11.707 -14.394 412 HH11 ARG 51 HH11 ARG 51 -4.448 -9.934 -11.478 413 HH12 ARG 51 HH12 ARG 51 -5.918 -9.019 -11.437 414 HH21 ARG 51 HH21 ARG 51 -7.291 -10.496 -14.310 415 HH22 ARG 51 HH22 ARG 51 -7.533 -9.340 -13.043 416 H GLY 52 H GLY 52 -0.936 -16.425 -11.462 417 HA2 GLY 52 HA2 GLY 52 1.059 -17.601 -11.749 418 HA3 GLY 52 HA3 GLY 52 1.919 -16.093 -12.024 419 H GLU 53 H GLU 53 3.550 -16.809 -10.610 420 HA GLU 53 HA GLU 53 2.983 -17.207 -7.766 421 HB2 GLU 53 HB2 GLU 53 5.618 -17.211 -9.306 422 HB3 GLU 53 HB3 GLU 53 5.432 -17.657 -7.611 423 HG2 GLU 53 HG2 GLU 53 4.032 -19.582 -8.237 424 HG3 GLU 53 HG3 GLU 53 4.122 -19.113 -9.933 425 H PHE 54 H PHE 54 3.519 -15.777 -6.165 426 HA PHE 54 HA PHE 54 3.700 -12.995 -6.876 427 HB2 PHE 54 HB2 PHE 54 2.251 -13.716 -5.011 428 HB3 PHE 54 HB3 PHE 54 3.650 -14.322 -4.131 429 HD1 PHE 54 HD2 PHE 54 2.320 -11.178 -5.663 430 HD2 PHE 54 HD1 PHE 54 4.706 -12.892 -2.577 431 HE1 PHE 54 HE2 PHE 54 2.699 -8.944 -4.715 432 HE2 PHE 54 HE1 PHE 54 5.084 -10.667 -1.637 433 HZ PHE 54 HZ PHE 54 4.092 -8.696 -2.706 434 H HIS 55 H HIS 55 5.335 -11.509 -6.349 435 HA HIS 55 HA HIS 55 7.953 -12.535 -5.448 436 HB2 HIS 55 HB2 HIS 55 7.530 -10.722 -7.865 437 HB3 HIS 55 HB3 HIS 55 9.090 -11.212 -7.216 438 HD1 HIS 55 HD1 HIS 55 9.715 -13.782 -7.489 439 HD2 HIS 55 HD2 HIS 55 6.359 -12.550 -9.623 440 HE1 HIS 55 HE1 HIS 55 9.257 -15.605 -9.153 441 HE2 HIS 55 HE2 HIS 55 7.242 -14.839 -10.440 442 HA PRO 56 HA PRO 56 7.020 -8.782 -2.899 443 HB2 PRO 56 HB2 PRO 56 8.657 -9.457 -0.794 444 HB3 PRO 56 HB3 PRO 56 7.029 -10.128 -1.008 445 HG2 PRO 56 HG2 PRO 56 9.667 -11.360 -1.754 446 HG3 PRO 56 HG3 PRO 56 8.286 -12.092 -0.905 447 HD2 PRO 56 HD2 PRO 56 8.686 -12.510 -3.537 448 HD3 PRO 56 HD3 PRO 56 7.049 -12.363 -2.860 449 H ASP 57 H ASP 57 10.182 -10.122 -3.739 450 HA ASP 57 HA ASP 57 11.808 -7.856 -3.262 451 HB2 ASP 57 HB2 ASP 57 12.165 -10.026 -5.401 452 HB3 ASP 57 HB3 ASP 57 13.412 -8.887 -4.894 453 H THR 58 H THR 58 10.159 -8.982 -6.193 454 HA THR 58 HA THR 58 10.960 -6.849 -7.892 455 HB THR 58 HB THR 58 8.537 -8.679 -8.237 456 HG1 THR 58 HG1 THR 58 11.301 -9.149 -8.591 457 HG21 THR 58 HG21 THR 58 8.943 -8.375 -10.656 458 HG22 THR 58 HG22 THR 58 10.257 -7.251 -10.302 459 HG23 THR 58 HG23 THR 58 8.599 -6.833 -9.869 460 H LEU 59 H LEU 59 8.223 -7.441 -5.741 461 HA LEU 59 HA LEU 59 6.576 -5.296 -6.475 462 HB2 LEU 59 HB2 LEU 59 5.803 -7.173 -5.039 463 HB3 LEU 59 HB3 LEU 59 6.818 -6.577 -3.735 464 HG LEU 59 HG LEU 59 5.464 -4.508 -3.598 465 HD11 LEU 59 HD11 LEU 59 4.742 -4.261 -5.911 466 HD12 LEU 59 HD12 LEU 59 3.355 -4.258 -4.829 467 HD13 LEU 59 HD13 LEU 59 3.723 -5.698 -5.783 468 HD21 LEU 59 HD21 LEU 59 3.462 -5.456 -2.627 469 HD22 LEU 59 HD22 LEU 59 4.849 -6.461 -2.226 470 HD23 LEU 59 HD23 LEU 59 3.718 -6.978 -3.479 471 H GLN 60 H GLN 60 9.031 -5.498 -3.861 472 HA GLN 60 HA GLN 60 8.705 -2.856 -2.924 473 HB2 GLN 60 HB2 GLN 60 11.066 -4.768 -2.668 474 HB3 GLN 60 HB3 GLN 60 11.018 -3.203 -1.869 475 HG2 GLN 60 HG2 GLN 60 8.897 -3.942 -0.706 476 HG3 GLN 60 HG3 GLN 60 9.151 -5.541 -1.401 477 HE21 GLN 60 HE21 GLN 60 9.373 -6.513 0.668 478 HE22 GLN 60 HE22 GLN 60 10.761 -6.259 1.658 479 H MET 61 H MET 61 10.936 -4.177 -5.379 480 HA MET 61 HA MET 61 12.493 -1.830 -5.740 481 HB2 MET 61 HB2 MET 61 12.020 -4.187 -7.620 482 HB3 MET 61 HB3 MET 61 13.254 -2.956 -7.860 483 HG2 MET 61 HG2 MET 61 14.368 -3.637 -5.795 484 HG3 MET 61 HG3 MET 61 13.106 -4.834 -5.496 485 HE1 MET 61 HE1 MET 61 16.126 -5.706 -5.403 486 HE2 MET 61 HE2 MET 61 16.087 -7.177 -6.375 487 HE3 MET 61 HE3 MET 61 14.781 -6.837 -5.238 488 H ALA 62 H ALA 62 9.573 -3.055 -7.386 489 HA ALA 62 HA ALA 62 9.383 -1.023 -9.370 490 HB1 ALA 62 HB1 ALA 62 7.201 -2.779 -8.177 491 HB2 ALA 62 HB2 ALA 62 8.212 -3.187 -9.562 492 HB3 ALA 62 HB3 ALA 62 7.075 -1.845 -9.676 493 H LEU 63 H LEU 63 7.997 -1.421 -6.122 494 HA LEU 63 HA LEU 63 6.344 0.819 -5.970 495 HB2 LEU 63 HB2 LEU 63 7.904 -0.604 -3.772 496 HB3 LEU 63 HB3 LEU 63 6.711 0.641 -3.450 497 HG LEU 63 HG LEU 63 6.111 -2.027 -4.785 498 HD11 LEU 63 HD11 LEU 63 6.760 -2.342 -2.454 499 HD12 LEU 63 HD12 LEU 63 5.043 -2.662 -2.666 500 HD13 LEU 63 HD13 LEU 63 5.572 -1.144 -1.932 501 HD21 LEU 63 HD21 LEU 63 3.751 -1.462 -4.486 502 HD22 LEU 63 HD22 LEU 63 4.558 -0.278 -5.511 503 HD23 LEU 63 HD23 LEU 63 4.190 0.115 -3.831 504 H GLN 64 H GLN 64 9.809 0.475 -5.175 505 HA GLN 64 HA GLN 64 10.373 2.985 -4.194 506 HB2 GLN 64 HB2 GLN 64 11.958 1.046 -4.270 507 HB3 GLN 64 HB3 GLN 64 12.187 1.310 -5.993 508 HG2 GLN 64 HG2 GLN 64 14.047 2.235 -4.686 509 HG3 GLN 64 HG3 GLN 64 13.182 3.504 -5.546 510 HE21 GLN 64 HE21 GLN 64 12.180 1.958 -2.488 511 HE22 GLN 64 HE22 GLN 64 12.314 3.391 -1.542 512 H VAL 65 H VAL 65 10.128 1.992 -7.615 513 HA VAL 65 HA VAL 65 11.172 4.396 -8.727 514 HB VAL 65 HB VAL 65 9.409 2.255 -10.006 515 HG11 VAL 65 HG11 VAL 65 10.317 3.005 -12.176 516 HG12 VAL 65 HG12 VAL 65 11.188 4.310 -11.366 517 HG13 VAL 65 HG13 VAL 65 9.425 4.297 -11.366 518 HG21 VAL 65 HG21 VAL 65 12.449 2.446 -9.943 519 HG22 VAL 65 HG22 VAL 65 11.509 1.236 -10.817 520 HG23 VAL 65 HG23 VAL 65 11.459 1.281 -9.057 521 H VAL 66 H VAL 66 7.959 3.291 -7.796 522 HA VAL 66 HA VAL 66 6.681 5.757 -8.826 523 HB VAL 66 HB VAL 66 4.516 4.653 -8.378 524 HG11 VAL 66 HG11 VAL 66 6.385 2.916 -10.038 525 HG12 VAL 66 HG12 VAL 66 5.537 4.359 -10.597 526 HG13 VAL 66 HG13 VAL 66 4.622 2.923 -10.140 527 HG21 VAL 66 HG21 VAL 66 5.203 3.265 -6.447 528 HG22 VAL 66 HG22 VAL 66 6.129 2.223 -7.525 529 HG23 VAL 66 HG23 VAL 66 4.372 2.305 -7.671 530 H ASN 67 H ASN 67 8.402 5.012 -6.254 531 HA ASN 67 HA ASN 67 8.841 6.076 -4.326 532 HB2 ASN 67 HB2 ASN 67 6.715 8.044 -5.277 533 HB3 ASN 67 HB3 ASN 67 7.819 8.343 -3.941 534 HD21 ASN 67 HD21 ASN 67 7.534 8.034 -7.383 535 HD22 ASN 67 HD22 ASN 67 9.062 8.732 -7.778 536 H ILE 68 H ILE 68 6.669 4.017 -4.415 537 HA ILE 68 HA ILE 68 5.119 4.642 -2.008 538 HB ILE 68 HB ILE 68 5.260 2.034 -3.611 539 HG12 ILE 68 HG12 ILE 68 4.246 3.875 -4.950 540 HG13 ILE 68 HG13 ILE 68 3.072 2.623 -4.571 541 HG21 ILE 68 HG21 ILE 68 4.619 1.619 -1.290 542 HG22 ILE 68 HG22 ILE 68 3.233 1.371 -2.348 543 HG23 ILE 68 HG23 ILE 68 3.350 2.845 -1.382 544 HD11 ILE 68 HD11 ILE 68 2.098 4.823 -4.396 545 HD12 ILE 68 HD12 ILE 68 3.320 5.304 -3.221 546 HD13 ILE 68 HD13 ILE 68 2.141 4.056 -2.808 547 H GLN 69 H GLN 69 5.976 4.213 -0.073 548 HA GLN 69 HA GLN 69 8.564 2.900 0.212 549 HB2 GLN 69 HB2 GLN 69 8.065 5.090 1.283 550 HB3 GLN 69 HB3 GLN 69 6.764 4.351 2.207 551 HG2 GLN 69 HG2 GLN 69 8.469 2.906 3.340 552 HG3 GLN 69 HG3 GLN 69 9.733 3.790 2.485 553 HE21 GLN 69 HE21 GLN 69 8.331 6.392 2.727 554 HE22 GLN 69 HE22 GLN 69 8.491 6.857 4.379 555 H THR 70 H THR 70 8.880 0.904 1.243 556 HA THR 70 HA THR 70 6.488 -0.629 2.068 557 HB THR 70 HB THR 70 9.338 -1.625 1.550 558 HG1 THR 70 HG1 THR 70 7.994 -0.945 -0.315 559 HG21 THR 70 HG21 THR 70 8.166 -3.041 3.202 560 HG22 THR 70 HG22 THR 70 8.348 -3.883 1.662 561 HG23 THR 70 HG23 THR 70 6.789 -3.187 2.104 562 H ILE 71 H ILE 71 6.012 -0.313 4.130 563 HA ILE 71 HA ILE 71 7.936 0.452 6.164 564 HB ILE 71 HB ILE 71 4.994 -0.304 6.502 565 HG12 ILE 71 HG12 ILE 71 5.217 1.504 4.822 566 HG13 ILE 71 HG13 ILE 71 4.440 2.081 6.287 567 HG21 ILE 71 HG21 ILE 71 5.091 1.086 8.541 568 HG22 ILE 71 HG22 ILE 71 6.811 1.373 8.280 569 HG23 ILE 71 HG23 ILE 71 6.228 -0.259 8.619 570 HD11 ILE 71 HD11 ILE 71 7.292 2.562 5.463 571 HD12 ILE 71 HD12 ILE 71 6.565 3.110 6.975 572 HD13 ILE 71 HD13 ILE 71 5.967 3.723 5.434 573 H ALA 72 H ALA 72 5.764 -2.264 5.493 574 HA ALA 72 HA ALA 72 7.546 -4.164 6.872 575 HB1 ALA 72 HB1 ALA 72 5.736 -3.596 8.459 576 HB2 ALA 72 HB2 ALA 72 5.556 -5.255 7.893 577 HB3 ALA 72 HB3 ALA 72 4.518 -3.982 7.242 578 H MET 73 H MET 73 7.533 -6.206 5.906 579 HA MET 73 HA MET 73 5.486 -7.004 4.032 580 HB2 MET 73 HB2 MET 73 6.968 -5.716 2.518 581 HB3 MET 73 HB3 MET 73 8.354 -6.674 3.015 582 HG2 MET 73 HG2 MET 73 7.568 -8.600 1.889 583 HG3 MET 73 HG3 MET 73 5.930 -7.963 1.751 584 HE1 MET 73 HE1 MET 73 6.365 -5.205 -1.006 585 HE2 MET 73 HE2 MET 73 6.458 -4.970 0.736 586 HE3 MET 73 HE3 MET 73 5.223 -6.031 0.056 587 H SER 74 H SER 74 5.140 -9.096 4.320 588 HA SER 74 HA SER 74 6.752 -10.729 6.034 589 HB2 SER 74 HB2 SER 74 4.377 -11.522 4.280 590 HB3 SER 74 HB3 SER 74 5.036 -12.457 5.626 591 HG SER 74 HG SER 74 4.085 -9.808 5.942 592 H ARG 75 H ARG 75 7.307 -13.033 5.250 593 HA ARG 75 HA ARG 75 9.218 -12.689 3.087 594 HB2 ARG 75 HB2 ARG 75 8.755 -15.039 4.974 595 HB3 ARG 75 HB3 ARG 75 10.074 -14.932 3.810 596 HG2 ARG 75 HG2 ARG 75 10.891 -12.886 4.993 597 HG3 ARG 75 HG3 ARG 75 9.621 -13.113 6.193 598 HD2 ARG 75 HD2 ARG 75 10.618 -15.314 6.807 599 HD3 ARG 75 HD3 ARG 75 11.909 -15.038 5.627 600 HE ARG 75 HE ARG 75 11.550 -12.983 7.650 601 HH11 ARG 75 HH11 ARG 75 13.401 -15.862 6.738 602 HH12 ARG 75 HH12 ARG 75 14.703 -15.499 7.828 603 HH21 ARG 75 HH21 ARG 75 13.212 -12.558 9.084 604 HH22 ARG 75 HH22 ARG 75 14.586 -13.613 9.166 605 H ALA 76 H ALA 76 9.418 -14.104 1.333 606 HA ALA 76 HA ALA 76 7.053 -14.795 -0.058 607 HB1 ALA 76 HB1 ALA 76 9.129 -14.148 -1.215 608 HB2 ALA 76 HB2 ALA 76 8.598 -15.745 -1.742 609 HB3 ALA 76 HB3 ALA 76 9.934 -15.594 -0.601 610 H GLY 77 H GLY 77 5.952 -16.646 -0.099 611 HA2 GLY 77 HA2 GLY 77 5.619 -18.997 0.075 612 HA3 GLY 77 HA3 GLY 77 7.006 -19.121 1.147 613 H SER 78 H SER 78 5.854 -16.603 2.582 614 HA SER 78 HA SER 78 4.227 -18.116 4.487 615 HB2 SER 78 HB2 SER 78 5.030 -15.151 4.536 616 HB3 SER 78 HB3 SER 78 4.411 -16.107 5.888 617 HG SER 78 HG SER 78 6.628 -17.228 4.760 618 H ARG 79 H ARG 79 2.056 -18.270 4.113 619 HA ARG 79 HA ARG 79 0.546 -15.946 3.115 620 HB2 ARG 79 HB2 ARG 79 0.350 -18.764 1.956 621 HB3 ARG 79 HB3 ARG 79 -0.839 -17.502 1.648 622 HG2 ARG 79 HG2 ARG 79 0.820 -16.141 0.500 623 HG3 ARG 79 HG3 ARG 79 2.100 -17.276 0.926 624 HD2 ARG 79 HD2 ARG 79 1.522 -17.631 -1.373 625 HD3 ARG 79 HD3 ARG 79 0.929 -19.017 -0.459 626 HE ARG 79 HE ARG 79 -1.182 -17.210 -0.657 627 HH11 ARG 79 HH11 ARG 79 0.760 -19.147 -2.885 628 HH12 ARG 79 HH12 ARG 79 -0.511 -19.276 -4.058 629 HH21 ARG 79 HH21 ARG 79 -2.829 -17.379 -2.237 630 HH22 ARG 79 HH22 ARG 79 -2.532 -18.281 -3.686 631 HA PRO 80 HA PRO 80 -1.921 -15.338 3.146 632 HB2 PRO 80 HB2 PRO 80 -3.107 -13.711 4.980 633 HB3 PRO 80 HB3 PRO 80 -3.868 -15.210 4.413 634 HG2 PRO 80 HG2 PRO 80 -2.336 -14.734 6.942 635 HG3 PRO 80 HG3 PRO 80 -3.885 -15.581 6.709 636 HD2 PRO 80 HD2 PRO 80 -1.513 -16.917 6.941 637 HD3 PRO 80 HD3 PRO 80 -2.865 -17.529 5.967 638 H TRP 81 H TRP 81 -0.157 -14.372 2.424 639 HA TRP 81 HA TRP 81 1.909 -13.121 3.865 640 HB2 TRP 81 HB2 TRP 81 2.249 -13.908 1.576 641 HB3 TRP 81 HB3 TRP 81 0.986 -12.850 0.963 642 HD1 TRP 81 HD1 TRP 81 4.635 -12.723 2.221 643 HE1 TRP 81 HE1 TRP 81 5.673 -10.498 1.458 644 HE3 TRP 81 HE3 TRP 81 0.466 -10.536 0.277 645 HZ2 TRP 81 HZ2 TRP 81 4.821 -8.129 0.176 646 HZ3 TRP 81 HZ3 TRP 81 0.649 -8.304 -0.713 647 HH2 TRP 81 HH2 TRP 81 2.783 -7.115 -0.761 648 H LYS 82 H LYS 82 1.993 -11.098 4.806 649 HA LYS 82 HA LYS 82 0.003 -9.070 3.945 650 HB2 LYS 82 HB2 LYS 82 -0.316 -9.993 6.285 651 HB3 LYS 82 HB3 LYS 82 1.248 -9.314 6.726 652 HG2 LYS 82 HG2 LYS 82 0.358 -7.045 6.084 653 HG3 LYS 82 HG3 LYS 82 -1.218 -7.788 5.831 654 HD2 LYS 82 HD2 LYS 82 0.299 -7.728 8.464 655 HD3 LYS 82 HD3 LYS 82 -1.057 -6.689 8.038 656 HE2 LYS 82 HE2 LYS 82 -2.506 -8.704 7.851 657 HE3 LYS 82 HE3 LYS 82 -1.143 -9.703 8.374 658 HZ1 LYS 82 HZ1 LYS 82 -1.102 -8.516 10.471 659 HZ2 LYS 82 HZ2 LYS 82 -2.655 -9.131 10.205 660 HZ3 LYS 82 HZ3 LYS 82 -2.345 -7.487 9.961 661 H ALA 83 H ALA 83 0.691 -6.903 3.840 662 HA ALA 83 HA ALA 83 3.435 -6.180 4.480 663 HB1 ALA 83 HB1 ALA 83 3.660 -6.873 2.132 664 HB2 ALA 83 HB2 ALA 83 3.866 -5.129 2.287 665 HB3 ALA 83 HB3 ALA 83 2.349 -5.788 1.661 666 H TYR 84 H TYR 84 3.625 -4.039 4.944 667 HA TYR 84 HA TYR 84 1.217 -2.320 4.790 668 HB2 TYR 84 HB2 TYR 84 3.498 -2.380 6.825 669 HB3 TYR 84 HB3 TYR 84 2.335 -1.061 6.720 670 HD1 TYR 84 HD1 TYR 84 -0.215 -2.507 6.257 671 HD2 TYR 84 HD2 TYR 84 3.005 -3.427 8.917 672 HE1 TYR 84 HE1 TYR 84 -1.777 -3.655 7.752 673 HE2 TYR 84 HE2 TYR 84 1.430 -4.588 10.406 674 HH TYR 84 HH TYR 84 -0.970 -4.548 10.921 675 H LEU 85 H LEU 85 1.404 -0.916 3.214 676 HA LEU 85 HA LEU 85 4.033 0.207 2.407 677 HB2 LEU 85 HB2 LEU 85 1.437 0.193 0.797 678 HB3 LEU 85 HB3 LEU 85 3.020 0.700 0.238 679 HG LEU 85 HG LEU 85 2.094 -2.131 0.804 680 HD11 LEU 85 HD11 LEU 85 1.333 -1.238 -1.332 681 HD12 LEU 85 HD12 LEU 85 2.545 -2.486 -1.593 682 HD13 LEU 85 HD13 LEU 85 2.985 -0.787 -1.772 683 HD21 LEU 85 HD21 LEU 85 4.343 -2.900 0.118 684 HD22 LEU 85 HD22 LEU 85 4.378 -1.973 1.615 685 HD23 LEU 85 HD23 LEU 85 4.906 -1.225 0.105 686 H SER 86 H SER 86 4.191 2.471 2.230 687 HA SER 86 HA SER 86 1.872 4.111 2.963 688 HB2 SER 86 HB2 SER 86 3.066 3.742 5.111 689 HB3 SER 86 HB3 SER 86 4.553 4.369 4.399 690 HG SER 86 HG SER 86 2.114 5.779 4.792 691 H ALA 87 H ALA 87 2.000 6.218 2.252 692 HA ALA 87 HA ALA 87 4.296 7.090 0.653 693 HB1 ALA 87 HB1 ALA 87 2.847 5.891 -0.948 694 HB2 ALA 87 HB2 ALA 87 2.845 7.622 -1.282 695 HB3 ALA 87 HB3 ALA 87 1.466 6.882 -0.464 696 H GLN 88 H GLN 88 4.182 9.388 0.226 697 HA GLN 88 HA GLN 88 2.057 10.960 1.436 698 HB2 GLN 88 HB2 GLN 88 3.806 10.546 3.269 699 HB3 GLN 88 HB3 GLN 88 4.951 11.449 2.281 700 HG2 GLN 88 HG2 GLN 88 3.418 13.419 2.368 701 HG3 GLN 88 HG3 GLN 88 2.357 12.510 3.445 702 HE21 GLN 88 HE21 GLN 88 3.731 15.005 3.913 703 HE22 GLN 88 HE22 GLN 88 4.722 14.772 5.307 704 H ASP 89 H ASP 89 1.613 12.551 0.008 705 HA ASP 89 HA ASP 89 3.458 12.894 -2.244 706 HB2 ASP 89 HB2 ASP 89 1.642 13.543 -3.530 707 HB3 ASP 89 HB3 ASP 89 0.841 12.495 -2.376 708 H ASP 90 H ASP 90 3.375 15.308 -3.167 709 HA ASP 90 HA ASP 90 5.029 16.783 -1.396 710 HB2 ASP 90 HB2 ASP 90 5.328 16.744 -3.860 711 HB3 ASP 90 HB3 ASP 90 3.818 17.609 -4.075 712 H THR 91 H THR 91 1.594 16.771 -1.758 713 HA THR 91 HA THR 91 1.271 19.478 -0.615 714 HB THR 91 HB THR 91 -1.075 19.390 -1.026 715 HG1 THR 91 HG1 THR 91 -0.993 16.695 -1.869 716 HG21 THR 91 HG21 THR 91 0.255 19.737 -3.079 717 HG22 THR 91 HG22 THR 91 -1.255 18.899 -3.431 718 HG23 THR 91 HG23 THR 91 0.256 17.992 -3.372 719 H GLY 92 H GLY 92 1.769 16.359 0.524 720 HA2 GLY 92 HA2 GLY 92 2.292 15.943 2.765 721 HA3 GLY 92 HA3 GLY 92 1.301 17.300 3.259 722 H CYS 93 H CYS 93 -0.137 15.004 1.100 723 HA CYS 93 HA CYS 93 -1.967 14.055 3.142 724 HB2 CYS 93 HB2 CYS 93 -1.753 13.169 0.226 725 HB3 CYS 93 HB3 CYS 93 -3.124 12.946 1.314 726 HG CYS 93 HG CYS 93 -2.053 15.847 -0.120 727 H LEU 94 H LEU 94 -1.648 12.243 4.333 728 HA LEU 94 HA LEU 94 0.606 10.450 3.705 729 HB2 LEU 94 HB2 LEU 94 0.180 11.644 6.009 730 HB3 LEU 94 HB3 LEU 94 -1.021 10.400 6.276 731 HG LEU 94 HG LEU 94 1.192 9.970 7.390 732 HD11 LEU 94 HD11 LEU 94 0.435 7.847 5.373 733 HD12 LEU 94 HD12 LEU 94 -0.305 8.097 6.955 734 HD13 LEU 94 HD13 LEU 94 1.383 7.611 6.846 735 HD21 LEU 94 HD21 LEU 94 3.127 9.245 6.087 736 HD22 LEU 94 HD22 LEU 94 2.677 10.895 5.669 737 HD23 LEU 94 HD23 LEU 94 2.265 9.569 4.579 738 H PHE 95 H PHE 95 0.256 8.420 2.999 739 HA PHE 95 HA PHE 95 -2.453 7.237 2.947 740 HB2 PHE 95 HB2 PHE 95 -0.106 6.860 1.021 741 HB3 PHE 95 HB3 PHE 95 -1.636 5.993 0.920 742 HD1 PHE 95 HD2 PHE 95 -0.091 9.381 0.660 743 HD2 PHE 95 HD1 PHE 95 -3.534 6.975 -0.147 744 HE1 PHE 95 HE2 PHE 95 -1.038 11.187 -0.720 745 HE2 PHE 95 HE1 PHE 95 -4.467 8.787 -1.519 746 HZ PHE 95 HZ PHE 95 -3.226 10.888 -1.803 747 H LEU 96 H LEU 96 -2.707 5.343 3.943 748 HA LEU 96 HA LEU 96 -0.393 3.609 4.595 749 HB2 LEU 96 HB2 LEU 96 -3.008 3.948 6.127 750 HB3 LEU 96 HB3 LEU 96 -1.669 2.909 6.591 751 HG LEU 96 HG LEU 96 -1.481 5.937 6.453 752 HD11 LEU 96 HD11 LEU 96 -1.702 5.963 8.854 753 HD12 LEU 96 HD12 LEU 96 -1.927 4.213 8.899 754 HD13 LEU 96 HD13 LEU 96 -3.133 5.248 8.125 755 HD21 LEU 96 HD21 LEU 96 0.685 4.828 6.245 756 HD22 LEU 96 HD22 LEU 96 0.384 3.915 7.724 757 HD23 LEU 96 HD23 LEU 96 0.550 5.672 7.785 758 H THR 97 H THR 97 -0.523 1.686 3.616 759 HA THR 97 HA THR 97 -3.116 0.602 2.688 760 HB THR 97 HB THR 97 -0.476 0.454 1.145 761 HG1 THR 97 HG1 THR 97 -2.142 2.511 1.381 762 HG21 THR 97 HG21 THR 97 -1.876 -0.273 -0.757 763 HG22 THR 97 HG22 THR 97 -3.319 -0.201 0.253 764 HG23 THR 97 HG23 THR 97 -2.060 -1.390 0.599 765 H GLU 98 H GLU 98 -3.364 -1.602 2.818 766 HA GLU 98 HA GLU 98 -1.075 -3.262 3.709 767 HB2 GLU 98 HB2 GLU 98 -2.888 -3.124 5.454 768 HB3 GLU 98 HB3 GLU 98 -4.027 -3.809 4.300 769 HG2 GLU 98 HG2 GLU 98 -2.517 -5.830 4.140 770 HG3 GLU 98 HG3 GLU 98 -1.572 -5.168 5.470 771 H LEU 99 H LEU 99 -0.651 -5.019 2.457 772 HA LEU 99 HA LEU 99 -2.557 -5.835 0.333 773 HB2 LEU 99 HB2 LEU 99 0.466 -6.215 0.385 774 HB3 LEU 99 HB3 LEU 99 -0.614 -6.719 -0.902 775 HG LEU 99 HG LEU 99 0.108 -3.860 -0.162 776 HD11 LEU 99 HD11 LEU 99 1.187 -3.811 -2.372 777 HD12 LEU 99 HD12 LEU 99 0.781 -5.511 -2.620 778 HD13 LEU 99 HD13 LEU 99 1.891 -5.043 -1.329 779 HD21 LEU 99 HD21 LEU 99 -2.224 -3.911 -0.883 780 HD22 LEU 99 HD22 LEU 99 -1.782 -4.805 -2.340 781 HD23 LEU 99 HD23 LEU 99 -1.213 -3.149 -2.110 782 H LEU 100 H LEU 100 -3.350 -7.886 0.622 783 HA LEU 100 HA LEU 100 -2.027 -9.687 2.570 784 HB2 LEU 100 HB2 LEU 100 -3.866 -8.391 3.658 785 HB3 LEU 100 HB3 LEU 100 -4.994 -8.996 2.457 786 HG LEU 100 HG LEU 100 -4.627 -11.323 3.334 787 HD11 LEU 100 HD11 LEU 100 -2.390 -11.066 4.270 788 HD12 LEU 100 HD12 LEU 100 -3.513 -11.663 5.487 789 HD13 LEU 100 HD13 LEU 100 -3.009 -9.970 5.511 790 HD21 LEU 100 HD21 LEU 100 -5.962 -11.038 5.379 791 HD22 LEU 100 HD22 LEU 100 -6.551 -9.998 4.082 792 HD23 LEU 100 HD23 LEU 100 -5.589 -9.311 5.396 793 H LEU 101 H LEU 101 -1.459 -11.453 1.330 794 HA LEU 101 HA LEU 101 -3.151 -12.255 -0.950 795 HB2 LEU 101 HB2 LEU 101 -0.799 -11.738 -1.544 796 HB3 LEU 101 HB3 LEU 101 -0.219 -12.861 -0.327 797 HG LEU 101 HG LEU 101 -1.358 -14.731 -1.662 798 HD11 LEU 101 HD11 LEU 101 -1.569 -12.610 -3.809 799 HD12 LEU 101 HD12 LEU 101 -2.908 -13.409 -2.983 800 HD13 LEU 101 HD13 LEU 101 -1.842 -14.342 -4.028 801 HD21 LEU 101 HD21 LEU 101 0.912 -13.248 -3.018 802 HD22 LEU 101 HD22 LEU 101 0.486 -14.945 -3.261 803 HD23 LEU 101 HD23 LEU 101 1.064 -14.399 -1.689 804 H GLU 102 H GLU 102 -4.524 -13.746 -0.313 805 HA GLU 102 HA GLU 102 -4.507 -15.249 2.034 806 HB2 GLU 102 HB2 GLU 102 -6.108 -15.485 -0.541 807 HB3 GLU 102 HB3 GLU 102 -6.513 -16.365 0.927 808 HG2 GLU 102 HG2 GLU 102 -6.398 -13.342 0.700 809 HG3 GLU 102 HG3 GLU 102 -7.872 -14.295 0.597 810 HA PRO 103 HA PRO 103 -2.158 -18.900 0.956 811 HB2 PRO 103 HB2 PRO 103 -3.036 -20.673 2.827 812 HB3 PRO 103 HB3 PRO 103 -2.103 -19.231 3.270 813 HG2 PRO 103 HG2 PRO 103 -5.067 -19.652 3.403 814 HG3 PRO 103 HG3 PRO 103 -3.983 -18.923 4.608 815 HD2 PRO 103 HD2 PRO 103 -5.493 -17.430 2.888 816 HD3 PRO 103 HD3 PRO 103 -3.935 -16.878 3.536 817 H GLY 104 H GLY 104 -5.676 -19.117 0.980 818 HA2 GLY 104 HA2 GLY 104 -5.983 -21.749 -0.034 819 HA3 GLY 104 HA3 GLY 104 -7.185 -20.466 -0.075 820 H ASN 105 H ASN 105 -6.895 -18.801 -1.772 821 HA ASN 105 HA ASN 105 -5.876 -19.953 -4.308 822 HB2 ASN 105 HB2 ASN 105 -8.137 -17.952 -3.842 823 HB3 ASN 105 HB3 ASN 105 -7.580 -18.494 -5.424 824 HD21 ASN 105 HD21 ASN 105 -10.247 -18.760 -4.162 825 HD22 ASN 105 HD22 ASN 105 -10.593 -20.453 -4.155 826 H SER 106 H SER 106 -5.265 -18.209 -5.926 827 HA SER 106 HA SER 106 -3.353 -16.371 -4.810 828 HB2 SER 106 HB2 SER 106 -4.271 -16.600 -7.722 829 HB3 SER 106 HB3 SER 106 -2.763 -15.892 -7.138 830 HG SER 106 HG SER 106 -2.997 -18.267 -7.960 831 H GLU 107 H GLU 107 -5.006 -15.260 -3.519 832 HA GLU 107 HA GLU 107 -6.458 -13.102 -4.956 833 HB2 GLU 107 HB2 GLU 107 -7.992 -14.849 -4.113 834 HB3 GLU 107 HB3 GLU 107 -7.286 -14.739 -2.504 835 HG2 GLU 107 HG2 GLU 107 -8.122 -12.423 -2.304 836 HG3 GLU 107 HG3 GLU 107 -8.838 -12.540 -3.910 837 H MET 108 H MET 108 -5.818 -11.128 -4.311 838 HA MET 108 HA MET 108 -4.437 -10.761 -1.717 839 HB2 MET 108 HB2 MET 108 -2.888 -10.480 -3.656 840 HB3 MET 108 HB3 MET 108 -3.937 -9.230 -4.316 841 HG2 MET 108 HG2 MET 108 -3.490 -7.795 -2.382 842 HG3 MET 108 HG3 MET 108 -2.509 -9.060 -1.641 843 HE1 MET 108 HE1 MET 108 -0.926 -10.209 -4.210 844 HE2 MET 108 HE2 MET 108 -0.158 -9.893 -2.652 845 HE3 MET 108 HE3 MET 108 0.541 -9.234 -4.128 846 H GLN 109 H GLN 109 -5.343 -9.281 -0.404 847 HA GLN 109 HA GLN 109 -7.629 -7.663 -1.295 848 HB2 GLN 109 HB2 GLN 109 -6.680 -8.378 1.535 849 HB3 GLN 109 HB3 GLN 109 -8.150 -7.491 1.133 850 HG2 GLN 109 HG2 GLN 109 -9.016 -9.497 -0.056 851 HG3 GLN 109 HG3 GLN 109 -7.571 -10.382 0.414 852 HE21 GLN 109 HE21 GLN 109 -10.553 -8.965 1.559 853 HE22 GLN 109 HE22 GLN 109 -10.594 -9.792 3.070 854 H ILE 110 H ILE 110 -7.341 -5.491 -1.449 855 HA ILE 110 HA ILE 110 -4.817 -4.259 -0.469 856 HB ILE 110 HB ILE 110 -6.585 -3.413 -2.835 857 HG12 ILE 110 HG12 ILE 110 -4.411 -3.733 -4.182 858 HG13 ILE 110 HG13 ILE 110 -3.740 -4.524 -2.771 859 HG21 ILE 110 HG21 ILE 110 -4.115 -2.017 -1.724 860 HG22 ILE 110 HG22 ILE 110 -5.771 -1.414 -1.663 861 HG23 ILE 110 HG23 ILE 110 -4.950 -1.571 -3.215 862 HD11 ILE 110 HD11 ILE 110 -4.486 -6.103 -4.489 863 HD12 ILE 110 HD12 ILE 110 -6.134 -5.500 -4.329 864 HD13 ILE 110 HD13 ILE 110 -5.362 -6.320 -2.974 865 H SER 111 H SER 111 -5.210 -3.088 1.348 866 HA SER 111 HA SER 111 -7.852 -1.791 1.755 867 HB2 SER 111 HB2 SER 111 -5.728 -2.583 3.812 868 HB3 SER 111 HB3 SER 111 -7.301 -1.853 4.171 869 HG SER 111 HG SER 111 -6.773 -4.386 3.023 870 H VAL 112 H VAL 112 -7.733 0.261 1.090 871 HA VAL 112 HA VAL 112 -5.257 1.829 1.442 872 HB VAL 112 HB VAL 112 -7.692 2.456 -0.306 873 HG11 VAL 112 HG11 VAL 112 -4.984 3.837 -0.156 874 HG12 VAL 112 HG12 VAL 112 -6.518 4.494 0.419 875 HG13 VAL 112 HG13 VAL 112 -6.273 4.217 -1.304 876 HG21 VAL 112 HG21 VAL 112 -6.247 1.858 -2.223 877 HG22 VAL 112 HG22 VAL 112 -6.501 0.484 -1.150 878 HG23 VAL 112 HG23 VAL 112 -4.970 1.362 -1.110 879 H LYS 113 H LYS 113 -5.224 3.214 3.076 880 HA LYS 113 HA LYS 113 -7.641 4.567 4.080 881 HB2 LYS 113 HB2 LYS 113 -7.331 2.662 5.572 882 HB3 LYS 113 HB3 LYS 113 -5.593 2.899 5.632 883 HG2 LYS 113 HG2 LYS 113 -5.991 5.023 6.882 884 HG3 LYS 113 HG3 LYS 113 -7.708 4.625 6.929 885 HD2 LYS 113 HD2 LYS 113 -5.457 2.965 8.131 886 HD3 LYS 113 HD3 LYS 113 -6.583 3.986 9.026 887 HE2 LYS 113 HE2 LYS 113 -8.455 2.540 8.202 888 HE3 LYS 113 HE3 LYS 113 -7.257 1.477 7.460 889 HZ1 LYS 113 HZ1 LYS 113 -7.959 0.662 9.621 890 HZ2 LYS 113 HZ2 LYS 113 -7.463 2.097 10.361 891 HZ3 LYS 113 HZ3 LYS 113 -6.320 1.071 9.657 892 H GLN 114 H GLN 114 -6.942 6.587 3.279 893 HA GLN 114 HA GLN 114 -4.291 7.566 4.157 894 HB2 GLN 114 HB2 GLN 114 -4.799 9.562 2.664 895 HB3 GLN 114 HB3 GLN 114 -4.570 8.039 1.838 896 HG2 GLN 114 HG2 GLN 114 -7.370 8.913 2.471 897 HG3 GLN 114 HG3 GLN 114 -6.512 9.699 1.147 898 HE21 GLN 114 HE21 GLN 114 -6.061 8.502 -0.726 899 HE22 GLN 114 HE22 GLN 114 -6.794 6.974 -1.047 900 H ASN 115 H ASN 115 -4.269 9.877 4.794 901 HA ASN 115 HA ASN 115 -5.477 10.211 7.274 902 HB2 ASN 115 HB2 ASN 115 -4.458 12.446 7.297 903 HB3 ASN 115 HB3 ASN 115 -3.331 11.262 6.658 904 HD21 ASN 115 HD21 ASN 115 -4.270 11.165 3.930 905 HD22 ASN 115 HD22 ASN 115 -3.962 12.706 3.224 906 H GLU 116 H GLU 116 -6.287 11.658 4.156 907 HA GLU 116 HA GLU 116 -9.027 12.190 5.093 908 HB2 GLU 116 HB2 GLU 116 -7.374 14.071 3.332 909 HB3 GLU 116 HB3 GLU 116 -9.066 14.294 3.760 910 HG2 GLU 116 HG2 GLU 116 -8.478 14.644 6.101 911 HG3 GLU 116 HG3 GLU 116 -6.790 14.269 5.757 912 H ALA 117 H ALA 117 -10.273 10.826 3.871 913 HA ALA 117 HA ALA 117 -9.322 9.689 1.392 914 HB1 ALA 117 HB1 ALA 117 -12.003 9.438 2.808 915 HB2 ALA 117 HB2 ALA 117 -10.640 8.329 2.954 916 HB3 ALA 117 HB3 ALA 117 -11.492 8.478 1.416 917 H ARG 118 H ARG 118 -9.316 10.975 -0.314 918 HA ARG 118 HA ARG 118 -11.679 12.618 -1.045 919 HB2 ARG 118 HB2 ARG 118 -8.743 12.868 -1.893 920 HB3 ARG 118 HB3 ARG 118 -10.056 13.862 -2.521 921 HG2 ARG 118 HG2 ARG 118 -10.407 14.899 -0.438 922 HG3 ARG 118 HG3 ARG 118 -9.408 13.733 0.415 923 HD2 ARG 118 HD2 ARG 118 -7.414 14.658 -0.785 924 HD3 ARG 118 HD3 ARG 118 -8.468 15.899 -1.490 925 HE ARG 118 HE ARG 118 -8.878 15.938 1.267 926 HH11 ARG 118 HH11 ARG 118 -6.212 16.642 -0.932 927 HH12 ARG 118 HH12 ARG 118 -5.487 17.802 0.134 928 HH21 ARG 118 HH21 ARG 118 -7.909 17.426 2.659 929 HH22 ARG 118 HH22 ARG 118 -6.456 18.239 2.176 930 H THR 119 H THR 119 -12.549 12.252 -3.125 931 HA THR 119 HA THR 119 -12.221 9.756 -4.369 932 HB THR 119 HB THR 119 -13.304 12.334 -5.610 933 HG1 THR 119 HG1 THR 119 -15.348 11.150 -5.008 934 HG21 THR 119 HG21 THR 119 -12.874 10.631 -7.357 935 HG22 THR 119 HG22 THR 119 -14.606 10.858 -7.111 936 HG23 THR 119 HG23 THR 119 -13.798 9.444 -6.431 937 H GLU 120 H GLU 120 -10.447 12.752 -4.684 938 HA GLU 120 HA GLU 120 -9.181 12.178 -7.210 939 HB2 GLU 120 HB2 GLU 120 -9.543 14.487 -6.405 940 HB3 GLU 120 HB3 GLU 120 -8.507 14.189 -5.010 941 HG2 GLU 120 HG2 GLU 120 -7.394 15.511 -6.791 942 HG3 GLU 120 HG3 GLU 120 -6.554 14.002 -6.446 943 H THR 121 H THR 121 -7.955 12.323 -3.797 944 HA THR 121 HA THR 121 -5.398 11.288 -4.372 945 HB THR 121 HB THR 121 -5.220 10.830 -1.908 946 HG1 THR 121 HG1 THR 121 -7.069 11.531 -0.616 947 HG21 THR 121 HG21 THR 121 -4.754 13.111 -2.741 948 HG22 THR 121 HG22 THR 121 -5.485 13.158 -1.136 949 HG23 THR 121 HG23 THR 121 -6.460 13.531 -2.557 950 H LEU 122 H LEU 122 -8.365 9.696 -3.305 951 HA LEU 122 HA LEU 122 -7.423 7.112 -2.871 952 HB2 LEU 122 HB2 LEU 122 -9.687 8.155 -2.240 953 HB3 LEU 122 HB3 LEU 122 -10.207 7.815 -3.880 954 HG LEU 122 HG LEU 122 -9.836 5.377 -3.451 955 HD11 LEU 122 HD11 LEU 122 -9.306 6.228 -0.590 956 HD12 LEU 122 HD12 LEU 122 -8.136 5.522 -1.708 957 HD13 LEU 122 HD13 LEU 122 -9.512 4.573 -1.165 958 HD21 LEU 122 HD21 LEU 122 -11.750 6.735 -1.525 959 HD22 LEU 122 HD22 LEU 122 -11.818 5.046 -2.035 960 HD23 LEU 122 HD23 LEU 122 -12.076 6.330 -3.213 961 H ASN 123 H ASN 123 -8.997 8.432 -5.864 962 HA ASN 123 HA ASN 123 -8.915 5.913 -7.235 963 HB2 ASN 123 HB2 ASN 123 -9.342 8.741 -8.297 964 HB3 ASN 123 HB3 ASN 123 -9.450 7.306 -9.313 965 HD21 ASN 123 HD21 ASN 123 -11.531 9.131 -8.949 966 HD22 ASN 123 HD22 ASN 123 -12.826 8.326 -8.144 967 H SER 124 H SER 124 -6.852 8.761 -7.238 968 HA SER 124 HA SER 124 -5.169 8.081 -9.409 969 HB2 SER 124 HB2 SER 124 -5.432 10.378 -8.459 970 HB3 SER 124 HB3 SER 124 -4.577 9.866 -7.003 971 HG SER 124 HG SER 124 -3.449 9.617 -9.577 972 H PHE 125 H PHE 125 -4.899 7.580 -5.905 973 HA PHE 125 HA PHE 125 -2.260 6.543 -5.847 974 HB2 PHE 125 HB2 PHE 125 -3.311 7.570 -3.878 975 HB3 PHE 125 HB3 PHE 125 -4.539 6.312 -3.833 976 HD1 PHE 125 HD2 PHE 125 -0.852 6.844 -3.575 977 HD2 PHE 125 HD1 PHE 125 -4.172 4.390 -2.484 978 HE1 PHE 125 HE2 PHE 125 0.594 5.557 -2.065 979 HE2 PHE 125 HE1 PHE 125 -2.720 3.109 -0.972 980 HZ PHE 125 HZ PHE 125 -0.334 3.691 -0.757 981 H ILE 126 H ILE 126 -5.458 4.950 -5.725 982 HA ILE 126 HA ILE 126 -4.516 2.281 -5.489 983 HB ILE 126 HB ILE 126 -7.199 3.235 -6.610 984 HG12 ILE 126 HG12 ILE 126 -6.562 2.359 -3.757 985 HG13 ILE 126 HG13 ILE 126 -6.628 4.041 -4.262 986 HG21 ILE 126 HG21 ILE 126 -6.760 0.874 -7.187 987 HG22 ILE 126 HG22 ILE 126 -8.054 0.990 -5.994 988 HG23 ILE 126 HG23 ILE 126 -6.433 0.507 -5.489 989 HD11 ILE 126 HD11 ILE 126 -8.959 3.844 -4.783 990 HD12 ILE 126 HD12 ILE 126 -8.660 3.285 -3.138 991 HD13 ILE 126 HD13 ILE 126 -8.936 2.116 -4.428 992 H SER 127 H SER 127 -5.263 4.366 -8.273 993 HA SER 127 HA SER 127 -5.052 2.436 -10.315 994 HB2 SER 127 HB2 SER 127 -6.021 4.697 -10.672 995 HB3 SER 127 HB3 SER 127 -4.421 5.419 -10.497 996 HG SER 127 HG SER 127 -4.785 3.373 -12.392 997 H VAL 128 H VAL 128 -2.577 4.509 -8.741 998 HA VAL 128 HA VAL 128 -0.316 3.665 -10.174 999 HB VAL 128 HB VAL 128 -0.542 4.504 -7.243 1000 HG11 VAL 128 HG11 VAL 128 1.902 4.901 -7.259 1001 HG12 VAL 128 HG12 VAL 128 2.014 4.190 -8.870 1002 HG13 VAL 128 HG13 VAL 128 1.521 3.194 -7.500 1003 HG21 VAL 128 HG21 VAL 128 0.339 6.092 -9.687 1004 HG22 VAL 128 HG22 VAL 128 0.300 6.693 -8.028 1005 HG23 VAL 128 HG23 VAL 128 -1.201 6.255 -8.840 1006 H LEU 129 H LEU 129 -1.665 2.340 -7.111 1007 HA LEU 129 HA LEU 129 -0.012 0.165 -6.738 1008 HB2 LEU 129 HB2 LEU 129 -2.984 0.303 -6.115 1009 HB3 LEU 129 HB3 LEU 129 -1.876 -0.881 -5.446 1010 HG LEU 129 HG LEU 129 -1.780 2.115 -4.935 1011 HD11 LEU 129 HD11 LEU 129 -3.695 1.065 -3.856 1012 HD12 LEU 129 HD12 LEU 129 -2.505 1.550 -2.653 1013 HD13 LEU 129 HD13 LEU 129 -2.651 -0.149 -3.112 1014 HD21 LEU 129 HD21 LEU 129 -0.043 1.611 -3.256 1015 HD22 LEU 129 HD22 LEU 129 0.480 1.180 -4.881 1016 HD23 LEU 129 HD23 LEU 129 -0.036 -0.083 -3.761 1017 H GLU 130 H GLU 130 -2.971 0.279 -8.718 1018 HA GLU 130 HA GLU 130 -3.124 -2.489 -9.360 1019 HB2 GLU 130 HB2 GLU 130 -4.338 -0.043 -10.715 1020 HB3 GLU 130 HB3 GLU 130 -4.720 -1.698 -11.179 1021 HG2 GLU 130 HG2 GLU 130 -5.645 -2.142 -8.940 1022 HG3 GLU 130 HG3 GLU 130 -5.217 -0.506 -8.436 1023 H THR 131 H THR 131 -1.582 0.248 -10.985 1024 HA THR 131 HA THR 131 -0.736 -1.096 -13.333 1025 HB THR 131 HB THR 131 0.637 1.255 -11.941 1026 HG1 THR 131 HG1 THR 131 -1.093 2.328 -12.450 1027 HG21 THR 131 HG21 THR 131 2.010 0.331 -13.783 1028 HG22 THR 131 HG22 THR 131 1.359 1.912 -14.214 1029 HG23 THR 131 HG23 THR 131 0.628 0.452 -14.879 1030 H VAL 132 H VAL 132 0.855 -0.540 -10.173 1031 HA VAL 132 HA VAL 132 3.358 -1.714 -10.803 1032 HB VAL 132 HB VAL 132 2.082 -1.288 -8.057 1033 HG11 VAL 132 HG11 VAL 132 3.896 -2.945 -7.891 1034 HG12 VAL 132 HG12 VAL 132 4.387 -1.427 -7.143 1035 HG13 VAL 132 HG13 VAL 132 4.998 -1.856 -8.742 1036 HG21 VAL 132 HG21 VAL 132 4.059 0.442 -9.591 1037 HG22 VAL 132 HG22 VAL 132 3.424 0.775 -7.978 1038 HG23 VAL 132 HG23 VAL 132 2.343 0.788 -9.370 1039 H ILE 133 H ILE 133 0.559 -2.998 -9.002 1040 HA ILE 133 HA ILE 133 1.517 -5.588 -8.463 1041 HB ILE 133 HB ILE 133 -1.325 -4.487 -8.753 1042 HG12 ILE 133 HG12 ILE 133 0.255 -5.240 -6.244 1043 HG13 ILE 133 HG13 ILE 133 -0.003 -3.603 -6.827 1044 HG21 ILE 133 HG21 ILE 133 -2.224 -6.509 -7.701 1045 HG22 ILE 133 HG22 ILE 133 -0.624 -7.246 -7.721 1046 HG23 ILE 133 HG23 ILE 133 -1.444 -6.890 -9.241 1047 HD11 ILE 133 HD11 ILE 133 -2.147 -5.481 -5.838 1048 HD12 ILE 133 HD12 ILE 133 -2.405 -3.843 -6.443 1049 HD13 ILE 133 HD13 ILE 133 -1.469 -4.100 -4.971 1050 H GLY 134 H GLY 134 -0.370 -4.238 -11.131 1051 HA2 GLY 134 HA2 GLY 134 -0.995 -6.508 -12.617 1052 HA3 GLY 134 HA3 GLY 134 -0.837 -4.883 -13.264 1053 H THR 135 H THR 135 1.862 -4.375 -12.918 1054 HA THR 135 HA THR 135 2.896 -5.738 -15.219 1055 HB THR 135 HB THR 135 3.313 -3.306 -14.814 1056 HG1 THR 135 HG1 THR 135 4.816 -4.939 -16.004 1057 HG21 THR 135 HG21 THR 135 5.115 -2.576 -13.312 1058 HG22 THR 135 HG22 THR 135 5.313 -4.228 -12.724 1059 HG23 THR 135 HG23 THR 135 3.817 -3.351 -12.400 1060 H ILE 136 H ILE 136 3.172 -6.289 -11.832 1061 HA ILE 136 HA ILE 136 5.534 -8.028 -12.023 1062 HB ILE 136 HB ILE 136 3.818 -7.315 -9.595 1063 HG12 ILE 136 HG12 ILE 136 6.548 -6.187 -10.356 1064 HG13 ILE 136 HG13 ILE 136 5.027 -5.385 -10.727 1065 HG21 ILE 136 HG21 ILE 136 6.555 -8.652 -9.684 1066 HG22 ILE 136 HG22 ILE 136 5.040 -9.426 -9.222 1067 HG23 ILE 136 HG23 ILE 136 5.713 -8.143 -8.217 1068 HD11 ILE 136 HD11 ILE 136 6.032 -6.020 -7.970 1069 HD12 ILE 136 HD12 ILE 136 4.533 -5.180 -8.372 1070 HD13 ILE 136 HD13 ILE 136 6.086 -4.451 -8.769 1071 H GLU 137 H GLU 137 2.066 -8.213 -12.062 1072 HA GLU 137 HA GLU 137 1.843 -11.064 -11.625 1073 HB2 GLU 137 HB2 GLU 137 -0.071 -9.113 -12.986 1074 HB3 GLU 137 HB3 GLU 137 -0.431 -10.801 -12.644 1075 HG2 GLU 137 HG2 GLU 137 -0.302 -10.391 -10.251 1076 HG3 GLU 137 HG3 GLU 137 0.151 -8.713 -10.541 1077 H GLU 138 H GLU 138 0.946 -12.443 -13.419 1078 HA GLU 138 HA GLU 138 0.964 -13.457 -15.416 1079 HB2 GLU 138 HB2 GLU 138 1.458 -10.677 -16.583 1080 HB3 GLU 138 HB3 GLU 138 0.919 -12.086 -17.486 1081 HG2 GLU 138 HG2 GLU 138 -1.196 -12.124 -16.343 1082 HG3 GLU 138 HG3 GLU 138 -0.679 -10.879 -15.208 1083 H ILE 139 H ILE 139 2.930 -14.448 -14.547 1084 HA ILE 139 HA ILE 139 5.485 -13.706 -15.685 1085 HB ILE 139 HB ILE 139 4.658 -16.237 -14.175 1086 HG12 ILE 139 HG12 ILE 139 6.182 -15.241 -12.332 1087 HG13 ILE 139 HG13 ILE 139 6.151 -13.731 -13.229 1088 HG21 ILE 139 HG21 ILE 139 7.438 -15.374 -15.052 1089 HG22 ILE 139 HG22 ILE 139 6.520 -16.745 -15.677 1090 HG23 ILE 139 HG23 ILE 139 7.078 -16.751 -14.005 1091 HD11 ILE 139 HD11 ILE 139 3.718 -13.592 -12.883 1092 HD12 ILE 139 HD12 ILE 139 4.592 -13.703 -11.354 1093 HD13 ILE 139 HD13 ILE 139 3.760 -15.118 -11.999 1094 H LYS 140 H LYS 140 5.005 -13.579 -17.826 1095 HA LYS 140 HA LYS 140 3.377 -15.364 -19.309 1096 HB2 LYS 140 HB2 LYS 140 5.318 -13.244 -20.324 1097 HB3 LYS 140 HB3 LYS 140 3.996 -13.957 -21.244 1098 HG2 LYS 140 HG2 LYS 140 2.343 -12.916 -19.812 1099 HG3 LYS 140 HG3 LYS 140 3.591 -12.352 -18.699 1100 HD2 LYS 140 HD2 LYS 140 4.504 -10.901 -20.530 1101 HD3 LYS 140 HD3 LYS 140 3.168 -11.415 -21.565 1102 HE2 LYS 140 HE2 LYS 140 1.556 -10.442 -19.964 1103 HE3 LYS 140 HE3 LYS 140 2.893 -9.935 -18.926 1104 HZ1 LYS 140 HZ1 LYS 140 3.688 -8.492 -20.688 1105 HZ2 LYS 140 HZ2 LYS 140 2.080 -8.125 -20.324 1106 HZ3 LYS 140 HZ3 LYS 140 2.451 -9.008 -21.718 1107 H SER 141 H SER 141 4.090 -17.398 -19.343 1108 HA SER 141 HA SER 141 6.003 -18.356 -21.130 1109 HB2 SER 141 HB2 SER 141 7.579 -19.423 -19.333 1110 HB3 SER 141 HB3 SER 141 7.809 -17.715 -19.690 1111 HG SER 141 HG SER 141 6.060 -17.719 -17.782
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