NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
547333 | 2lvl | 17534 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 47.397 -22.574 7.348 2 HA2 GLY 1 HA2 GLY 1 45.922 -23.939 5.935 3 HA3 GLY 1 HA3 GLY 1 45.063 -24.419 7.422 4 H SER 2 H SER 2 43.646 -23.148 5.250 5 HA SER 2 HA SER 2 42.535 -20.875 6.589 6 HB2 SER 2 HB2 SER 2 42.875 -19.559 4.321 7 HB3 SER 2 HB3 SER 2 44.143 -19.536 5.552 8 HG SER 2 HG SER 2 44.779 -19.999 3.296 9 H THR 3 H THR 3 40.695 -20.070 4.891 10 HA THR 3 HA THR 3 39.572 -22.360 3.411 11 HB THR 3 HB THR 3 37.341 -21.495 4.406 12 HG1 THR 3 HG1 THR 3 37.978 -19.640 5.438 13 HG21 THR 3 HG21 THR 3 37.520 -22.864 6.418 14 HG22 THR 3 HG22 THR 3 39.292 -22.831 6.337 15 HG23 THR 3 HG23 THR 3 38.355 -23.660 5.072 16 H MET 4 H MET 4 38.035 -21.562 1.691 17 HA MET 4 HA MET 4 38.144 -18.692 1.110 18 HB2 MET 4 HB2 MET 4 40.169 -19.665 0.040 19 HB3 MET 4 HB3 MET 4 39.156 -20.846 -0.808 20 HG2 MET 4 HG2 MET 4 37.997 -19.016 -1.985 21 HG3 MET 4 HG3 MET 4 38.929 -17.818 -1.075 22 HE1 MET 4 HE1 MET 4 38.637 -17.848 -4.256 23 HE2 MET 4 HE2 MET 4 39.560 -16.621 -3.353 24 HE3 MET 4 HE3 MET 4 40.305 -17.459 -4.734 25 H HIS 5 H HIS 5 36.099 -18.138 0.563 26 HA HIS 5 HA HIS 5 34.304 -19.938 -0.889 27 HB2 HIS 5 HB2 HIS 5 33.693 -18.602 1.799 28 HB3 HIS 5 HB3 HIS 5 32.484 -19.315 0.744 29 HD1 HIS 5 HD1 HIS 5 34.361 -22.024 0.182 30 HD2 HIS 5 HD2 HIS 5 33.159 -20.276 3.816 31 HE1 HIS 5 HE1 HIS 5 34.224 -23.924 1.885 32 H PHE 6 H PHE 6 32.336 -18.541 -1.562 33 HA PHE 6 HA PHE 6 32.772 -15.666 -1.573 34 HB2 PHE 6 HB2 PHE 6 34.095 -16.791 -3.549 35 HB3 PHE 6 HB3 PHE 6 32.499 -17.040 -4.254 36 HD1 PHE 6 HD1 PHE 6 34.655 -14.380 -2.675 37 HD2 PHE 6 HD2 PHE 6 31.589 -15.262 -5.582 38 HE1 PHE 6 HE1 PHE 6 34.688 -12.015 -3.438 39 HE2 PHE 6 HE2 PHE 6 31.637 -12.912 -6.344 40 HZ PHE 6 HZ PHE 6 33.172 -11.276 -5.270 41 H THR 7 H THR 7 30.787 -14.687 -3.009 42 HA THR 7 HA THR 7 28.418 -16.410 -2.780 43 HB THR 7 HB THR 7 27.193 -14.579 -1.594 44 HG1 THR 7 HG1 THR 7 29.757 -13.544 -0.998 45 HG21 THR 7 HG21 THR 7 27.969 -15.043 0.648 46 HG22 THR 7 HG22 THR 7 29.548 -15.602 0.047 47 HG23 THR 7 HG23 THR 7 28.081 -16.521 -0.327 48 H ASP 8 H ASP 8 26.469 -15.207 -3.737 49 HA ASP 8 HA ASP 8 27.193 -13.336 -5.869 50 HB2 ASP 8 HB2 ASP 8 25.048 -15.027 -6.724 51 HB3 ASP 8 HB3 ASP 8 26.605 -14.743 -7.484 52 H ASP 9 H ASP 9 25.238 -12.141 -6.497 53 HA ASP 9 HA ASP 9 23.201 -12.031 -4.306 54 HB2 ASP 9 HB2 ASP 9 24.626 -9.727 -5.665 55 HB3 ASP 9 HB3 ASP 9 23.184 -9.554 -4.665 56 H ASN 10 H ASN 10 21.140 -11.266 -4.894 57 HA ASN 10 HA ASN 10 20.318 -10.998 -7.691 58 HB2 ASN 10 HB2 ASN 10 20.343 -13.443 -7.302 59 HB3 ASN 10 HB3 ASN 10 19.484 -13.227 -5.768 60 HD21 ASN 10 HD21 ASN 10 17.931 -14.795 -6.632 61 HD22 ASN 10 HD22 ASN 10 16.673 -14.246 -7.684 62 H GLU 11 H GLU 11 18.044 -10.130 -7.632 63 HA GLU 11 HA GLU 11 17.686 -8.257 -5.460 64 HB2 GLU 11 HB2 GLU 11 15.799 -9.158 -7.674 65 HB3 GLU 11 HB3 GLU 11 15.480 -7.823 -6.558 66 HG2 GLU 11 HG2 GLU 11 17.403 -6.572 -7.389 67 HG3 GLU 11 HG3 GLU 11 17.859 -7.909 -8.460 68 H ASN 12 H ASN 12 16.045 -8.303 -3.807 69 HA ASN 12 HA ASN 12 14.488 -10.733 -3.386 70 HB2 ASN 12 HB2 ASN 12 16.863 -9.919 -1.705 71 HB3 ASN 12 HB3 ASN 12 15.404 -10.413 -0.865 72 HD21 ASN 12 HD21 ASN 12 14.311 -12.470 -1.998 73 HD22 ASN 12 HD22 ASN 12 15.405 -13.802 -2.284 74 H ASP 13 H ASP 13 12.807 -9.466 -3.794 75 HA ASP 13 HA ASP 13 12.268 -7.123 -2.009 76 HB2 ASP 13 HB2 ASP 13 11.196 -7.678 -4.804 77 HB3 ASP 13 HB3 ASP 13 10.782 -6.295 -3.773 78 H THR 14 H THR 14 9.662 -6.866 -1.901 79 HA THR 14 HA THR 14 8.807 -9.158 -0.460 80 HB THR 14 HB THR 14 8.021 -6.791 -0.137 81 HG1 THR 14 HG1 THR 14 5.872 -8.602 -0.341 82 HG21 THR 14 HG21 THR 14 7.350 -6.076 -2.379 83 HG22 THR 14 HG22 THR 14 5.905 -6.098 -1.354 84 HG23 THR 14 HG23 THR 14 6.163 -7.379 -2.498 85 H SER 15 H SER 15 8.358 -8.165 -3.740 86 HA SER 15 HA SER 15 7.430 -9.077 -5.602 87 HB2 SER 15 HB2 SER 15 9.287 -10.763 -4.669 88 HB3 SER 15 HB3 SER 15 7.908 -11.853 -4.536 89 HG SER 15 HG SER 15 9.016 -10.571 -6.814 90 H GLU 16 H GLU 16 5.421 -8.122 -4.282 91 HA GLU 16 HA GLU 16 3.301 -10.059 -4.580 92 HB2 GLU 16 HB2 GLU 16 2.274 -9.912 -2.590 93 HB3 GLU 16 HB3 GLU 16 3.969 -10.155 -2.156 94 HG2 GLU 16 HG2 GLU 16 4.146 -7.794 -1.509 95 HG3 GLU 16 HG3 GLU 16 2.439 -7.564 -1.899 96 H THR 17 H THR 17 1.046 -8.504 -4.054 97 HA THR 17 HA THR 17 1.553 -6.007 -5.576 98 HB THR 17 HB THR 17 0.677 -7.805 -7.076 99 HG1 THR 17 HG1 THR 17 0.210 -5.931 -7.778 100 HG21 THR 17 HG21 THR 17 -0.742 -9.158 -5.797 101 HG22 THR 17 HG22 THR 17 -1.838 -8.257 -6.838 102 HG23 THR 17 HG23 THR 17 -1.648 -7.785 -5.138 103 H MET 18 H MET 18 -0.526 -4.571 -5.410 104 HA MET 18 HA MET 18 -0.777 -3.878 -2.717 105 HB2 MET 18 HB2 MET 18 -2.258 -3.198 -5.282 106 HB3 MET 18 HB3 MET 18 -2.978 -2.684 -3.768 107 HG2 MET 18 HG2 MET 18 -0.101 -2.059 -4.011 108 HG3 MET 18 HG3 MET 18 -1.142 -1.268 -5.178 109 HE1 MET 18 HE1 MET 18 -1.060 -1.944 -1.203 110 HE2 MET 18 HE2 MET 18 -2.263 -0.730 -0.709 111 HE3 MET 18 HE3 MET 18 -2.767 -2.111 -1.678 112 H GLU 19 H GLU 19 -2.975 -5.769 -4.869 113 HA GLU 19 HA GLU 19 -5.193 -6.164 -3.159 114 HB2 GLU 19 HB2 GLU 19 -3.914 -8.167 -5.063 115 HB3 GLU 19 HB3 GLU 19 -5.533 -8.280 -4.364 116 HG2 GLU 19 HG2 GLU 19 -6.178 -6.193 -5.502 117 HG3 GLU 19 HG3 GLU 19 -4.572 -6.097 -6.256 118 H SER 20 H SER 20 -2.136 -8.113 -3.329 119 HA SER 20 HA SER 20 -2.816 -10.086 -1.551 120 HB2 SER 20 HB2 SER 20 -0.084 -8.763 -1.741 121 HB3 SER 20 HB3 SER 20 -0.473 -10.453 -1.427 122 HG SER 20 HG SER 20 -0.508 -10.781 -3.501 123 H LEU 21 H LEU 21 -1.846 -6.769 -0.934 124 HA LEU 21 HA LEU 21 -1.243 -7.194 1.879 125 HB2 LEU 21 HB2 LEU 21 -1.923 -4.602 0.389 126 HB3 LEU 21 HB3 LEU 21 -1.169 -4.739 1.954 127 HG LEU 21 HG LEU 21 -0.051 -5.215 -0.794 128 HD11 LEU 21 HD11 LEU 21 -0.058 -3.059 0.346 129 HD12 LEU 21 HD12 LEU 21 1.610 -3.615 0.061 130 HD13 LEU 21 HD13 LEU 21 0.903 -3.721 1.679 131 HD21 LEU 21 HD21 LEU 21 2.031 -6.091 0.185 132 HD22 LEU 21 HD22 LEU 21 0.695 -7.214 0.357 133 HD23 LEU 21 HD23 LEU 21 1.220 -6.252 1.764 134 H ILE 22 H ILE 22 -3.841 -5.487 0.087 135 HA ILE 22 HA ILE 22 -5.440 -4.986 2.344 136 HB ILE 22 HB ILE 22 -6.319 -5.376 -0.551 137 HG12 ILE 22 HG12 ILE 22 -5.441 -2.865 0.982 138 HG13 ILE 22 HG13 ILE 22 -4.550 -3.660 -0.320 139 HG21 ILE 22 HG21 ILE 22 -8.270 -3.951 0.181 140 HG22 ILE 22 HG22 ILE 22 -8.192 -5.503 1.001 141 HG23 ILE 22 HG23 ILE 22 -7.644 -4.060 1.855 142 HD11 ILE 22 HD11 ILE 22 -6.837 -3.312 -1.635 143 HD12 ILE 22 HD12 ILE 22 -6.984 -1.954 -0.512 144 HD13 ILE 22 HD13 ILE 22 -5.568 -2.064 -1.565 145 H ASP 23 H ASP 23 -5.463 -7.742 0.136 146 HA ASP 23 HA ASP 23 -7.658 -9.214 0.993 147 HB2 ASP 23 HB2 ASP 23 -6.256 -9.706 -0.941 148 HB3 ASP 23 HB3 ASP 23 -4.913 -10.173 0.103 149 H LYS 24 H LYS 24 -4.535 -8.876 2.603 150 HA LYS 24 HA LYS 24 -5.302 -10.878 4.691 151 HB2 LYS 24 HB2 LYS 24 -3.098 -11.284 4.963 152 HB3 LYS 24 HB3 LYS 24 -2.946 -10.545 3.388 153 HG2 LYS 24 HG2 LYS 24 -1.346 -9.360 4.400 154 HG3 LYS 24 HG3 LYS 24 -2.640 -8.286 4.829 155 HD2 LYS 24 HD2 LYS 24 -2.455 -10.343 6.880 156 HD3 LYS 24 HD3 LYS 24 -0.842 -9.757 6.482 157 HE2 LYS 24 HE2 LYS 24 -2.079 -7.361 6.913 158 HE3 LYS 24 HE3 LYS 24 -3.143 -8.401 7.833 159 HZ1 LYS 24 HZ1 LYS 24 -1.034 -9.238 8.940 160 HZ2 LYS 24 HZ2 LYS 24 -1.517 -7.724 9.341 161 HZ3 LYS 24 HZ3 LYS 24 -0.273 -7.924 8.309 162 H GLY 25 H GLY 25 -5.384 -7.482 4.189 163 HA2 GLY 25 HA2 GLY 25 -6.452 -6.034 5.748 164 HA3 GLY 25 HA3 GLY 25 -5.880 -7.030 7.089 165 H LYS 26 H LYS 26 -3.651 -6.168 4.479 166 HA LYS 26 HA LYS 26 -1.967 -4.628 6.403 167 HB2 LYS 26 HB2 LYS 26 -1.485 -5.944 3.751 168 HB3 LYS 26 HB3 LYS 26 -0.502 -4.546 4.236 169 HG2 LYS 26 HG2 LYS 26 0.056 -5.777 6.309 170 HG3 LYS 26 HG3 LYS 26 -0.706 -7.204 5.628 171 HD2 LYS 26 HD2 LYS 26 1.491 -5.924 4.038 172 HD3 LYS 26 HD3 LYS 26 1.892 -6.882 5.474 173 HE2 LYS 26 HE2 LYS 26 0.626 -8.795 4.618 174 HE3 LYS 26 HE3 LYS 26 0.225 -7.912 3.146 175 HZ1 LYS 26 HZ1 LYS 26 1.999 -9.464 2.882 176 HZ2 LYS 26 HZ2 LYS 26 2.960 -8.711 3.976 177 HZ3 LYS 26 HZ3 LYS 26 2.577 -8.034 2.504 178 H LEU 27 H LEU 27 -3.529 -2.827 6.542 179 HA LEU 27 HA LEU 27 -3.873 -1.221 4.038 180 HB2 LEU 27 HB2 LEU 27 -5.113 -0.874 6.810 181 HB3 LEU 27 HB3 LEU 27 -5.376 0.169 5.435 182 HG LEU 27 HG LEU 27 -7.282 -1.071 5.543 183 HD11 LEU 27 HD11 LEU 27 -6.289 -1.031 3.237 184 HD12 LEU 27 HD12 LEU 27 -7.373 -2.417 3.523 185 HD13 LEU 27 HD13 LEU 27 -5.611 -2.653 3.544 186 HD21 LEU 27 HD21 LEU 27 -7.542 -3.415 5.863 187 HD22 LEU 27 HD22 LEU 27 -6.426 -2.836 7.110 188 HD23 LEU 27 HD23 LEU 27 -5.797 -3.680 5.682 189 H ASP 28 H ASP 28 -1.743 -1.559 6.608 190 HA ASP 28 HA ASP 28 -1.095 1.348 6.811 191 HB2 ASP 28 HB2 ASP 28 -0.052 -0.993 8.441 192 HB3 ASP 28 HB3 ASP 28 0.392 0.698 8.664 193 H GLN 29 H GLN 29 -0.355 -0.972 4.619 194 HA GLN 29 HA GLN 29 2.215 0.249 4.048 195 HB2 GLN 29 HB2 GLN 29 3.312 -2.034 3.790 196 HB3 GLN 29 HB3 GLN 29 3.065 -1.425 5.415 197 HG2 GLN 29 HG2 GLN 29 0.916 -2.976 5.333 198 HG3 GLN 29 HG3 GLN 29 1.826 -3.713 3.984 199 HE21 GLN 29 HE21 GLN 29 4.490 -3.372 5.139 200 HE22 GLN 29 HE22 GLN 29 4.606 -4.400 6.542 201 H VAL 30 H VAL 30 2.812 -0.051 1.846 202 HA VAL 30 HA VAL 30 0.696 -1.232 0.089 203 HB VAL 30 HB VAL 30 0.692 0.658 -1.377 204 HG11 VAL 30 HG11 VAL 30 -0.028 1.610 1.412 205 HG12 VAL 30 HG12 VAL 30 -0.749 2.061 -0.150 206 HG13 VAL 30 HG13 VAL 30 -0.979 0.433 0.516 207 HG21 VAL 30 HG21 VAL 30 1.736 2.675 -1.030 208 HG22 VAL 30 HG22 VAL 30 2.035 2.371 0.689 209 HG23 VAL 30 HG23 VAL 30 3.013 1.561 -0.560 210 H VAL 31 H VAL 31 1.349 -1.431 -2.265 211 HA VAL 31 HA VAL 31 4.214 -1.820 -2.482 212 HB VAL 31 HB VAL 31 2.450 -3.285 -4.358 213 HG11 VAL 31 HG11 VAL 31 4.797 -3.420 -4.610 214 HG12 VAL 31 HG12 VAL 31 4.887 -4.264 -3.016 215 HG13 VAL 31 HG13 VAL 31 3.958 -4.962 -4.351 216 HG21 VAL 31 HG21 VAL 31 3.008 -4.306 -1.555 217 HG22 VAL 31 HG22 VAL 31 1.373 -3.962 -2.217 218 HG23 VAL 31 HG23 VAL 31 2.356 -5.287 -2.859 219 H TYR 32 H TYR 32 5.196 -0.987 -4.204 220 HA TYR 32 HA TYR 32 3.833 -0.022 -6.592 221 HB2 TYR 32 HB2 TYR 32 3.418 2.015 -5.376 222 HB3 TYR 32 HB3 TYR 32 4.921 1.851 -4.508 223 HD1 TYR 32 HD1 TYR 32 4.164 1.968 -8.230 224 HD2 TYR 32 HD2 TYR 32 6.307 3.724 -4.924 225 HE1 TYR 32 HE1 TYR 32 5.434 3.383 -9.793 226 HE2 TYR 32 HE2 TYR 32 7.584 5.109 -6.474 227 HH TYR 32 HH TYR 32 7.293 4.839 -10.016 228 H ASP 33 H ASP 33 5.311 -0.151 -8.192 229 HA ASP 33 HA ASP 33 7.209 -0.706 -9.301 230 HB2 ASP 33 HB2 ASP 33 7.707 1.559 -8.367 231 HB3 ASP 33 HB3 ASP 33 8.576 0.797 -7.043 232 H ASP 34 H ASP 34 6.213 -2.694 -7.475 233 HA ASP 34 HA ASP 34 6.726 -4.788 -6.704 234 HB2 ASP 34 HB2 ASP 34 8.234 -4.590 -8.866 235 HB3 ASP 34 HB3 ASP 34 9.580 -4.468 -7.747 236 H GLN 35 H GLN 35 7.161 -2.424 -5.041 237 HA GLN 35 HA GLN 35 9.172 -3.580 -3.132 238 HB2 GLN 35 HB2 GLN 35 8.637 -0.639 -3.471 239 HB3 GLN 35 HB3 GLN 35 9.857 -1.393 -2.457 240 HG2 GLN 35 HG2 GLN 35 9.830 -1.001 -5.453 241 HG3 GLN 35 HG3 GLN 35 10.898 -0.354 -4.223 242 HE21 GLN 35 HE21 GLN 35 11.201 -3.128 -2.955 243 HE22 GLN 35 HE22 GLN 35 12.320 -3.928 -4.048 244 H LEU 36 H LEU 36 8.746 -3.080 -0.935 245 HA LEU 36 HA LEU 36 5.869 -2.535 -0.384 246 HB2 LEU 36 HB2 LEU 36 6.901 -4.860 0.044 247 HB3 LEU 36 HB3 LEU 36 7.803 -4.139 1.345 248 HG LEU 36 HG LEU 36 5.707 -3.606 2.524 249 HD11 LEU 36 HD11 LEU 36 4.305 -4.886 0.142 250 HD12 LEU 36 HD12 LEU 36 4.133 -3.204 0.673 251 HD13 LEU 36 HD13 LEU 36 3.531 -4.507 1.694 252 HD21 LEU 36 HD21 LEU 36 6.819 -5.926 2.601 253 HD22 LEU 36 HD22 LEU 36 5.573 -6.452 1.460 254 HD23 LEU 36 HD23 LEU 36 5.107 -5.889 3.075 255 H TYR 37 H TYR 37 5.437 -0.834 0.853 256 HA TYR 37 HA TYR 37 7.659 0.331 2.436 257 HB2 TYR 37 HB2 TYR 37 5.471 2.083 1.406 258 HB3 TYR 37 HB3 TYR 37 7.104 2.507 1.913 259 HD1 TYR 37 HD1 TYR 37 8.900 0.988 0.267 260 HD2 TYR 37 HD2 TYR 37 5.144 2.853 -0.721 261 HE1 TYR 37 HE1 TYR 37 9.586 1.117 -2.140 262 HE2 TYR 37 HE2 TYR 37 5.849 3.004 -3.049 263 HH TYR 37 HH TYR 37 7.746 1.212 -4.574 264 H HIS 38 H HIS 38 7.028 1.314 4.423 265 HA HIS 38 HA HIS 38 4.445 0.355 5.516 266 HB2 HIS 38 HB2 HIS 38 7.198 0.142 6.393 267 HB3 HIS 38 HB3 HIS 38 6.420 1.210 7.507 268 HD1 HIS 38 HD1 HIS 38 7.219 -1.955 8.261 269 HD2 HIS 38 HD2 HIS 38 3.432 -0.231 7.379 270 HE1 HIS 38 HE1 HIS 38 5.488 -3.440 9.305 271 H LEU 39 H LEU 39 2.994 1.890 6.136 272 HA LEU 39 HA LEU 39 3.683 4.724 5.887 273 HB2 LEU 39 HB2 LEU 39 1.244 3.383 7.176 274 HB3 LEU 39 HB3 LEU 39 1.380 5.085 6.740 275 HG LEU 39 HG LEU 39 1.393 2.739 4.783 276 HD11 LEU 39 HD11 LEU 39 -0.672 4.913 5.274 277 HD12 LEU 39 HD12 LEU 39 -0.824 3.224 5.808 278 HD13 LEU 39 HD13 LEU 39 -0.751 3.598 4.065 279 HD21 LEU 39 HD21 LEU 39 1.318 5.749 4.313 280 HD22 LEU 39 HD22 LEU 39 1.199 4.501 3.039 281 HD23 LEU 39 HD23 LEU 39 2.691 4.693 3.980 282 H LYS 40 H LYS 40 4.150 6.135 7.534 283 HA LYS 40 HA LYS 40 4.257 4.980 10.306 284 HB2 LYS 40 HB2 LYS 40 6.049 7.197 9.277 285 HB3 LYS 40 HB3 LYS 40 6.136 6.332 10.803 286 HG2 LYS 40 HG2 LYS 40 6.764 5.254 8.043 287 HG3 LYS 40 HG3 LYS 40 7.902 5.703 9.312 288 HD2 LYS 40 HD2 LYS 40 5.986 3.500 9.971 289 HD3 LYS 40 HD3 LYS 40 7.274 3.214 8.798 290 HE2 LYS 40 HE2 LYS 40 8.944 4.145 10.420 291 HE3 LYS 40 HE3 LYS 40 7.663 4.172 11.648 292 HZ1 LYS 40 HZ1 LYS 40 8.985 2.174 11.792 293 HZ2 LYS 40 HZ2 LYS 40 8.711 1.765 10.253 294 HZ3 LYS 40 HZ3 LYS 40 7.468 1.747 11.344 295 H GLU 41 H GLU 41 4.139 8.072 8.543 296 HA GLU 41 HA GLU 41 1.772 8.829 10.208 297 HB2 GLU 41 HB2 GLU 41 2.781 10.841 11.075 298 HB3 GLU 41 HB3 GLU 41 3.844 9.481 11.404 299 HG2 GLU 41 HG2 GLU 41 4.975 10.229 9.090 300 HG3 GLU 41 HG3 GLU 41 4.190 11.756 9.453 301 H LYS 42 H LYS 42 0.876 10.939 9.661 302 HA LYS 42 HA LYS 42 0.487 11.209 6.764 303 HB2 LYS 42 HB2 LYS 42 -1.313 11.201 8.605 304 HB3 LYS 42 HB3 LYS 42 -0.811 12.845 8.957 305 HG2 LYS 42 HG2 LYS 42 -1.567 12.060 6.135 306 HG3 LYS 42 HG3 LYS 42 -2.832 12.259 7.316 307 HD2 LYS 42 HD2 LYS 42 -0.879 14.524 7.064 308 HD3 LYS 42 HD3 LYS 42 -2.022 14.243 5.736 309 HE2 LYS 42 HE2 LYS 42 -3.886 14.229 7.454 310 HE3 LYS 42 HE3 LYS 42 -2.712 14.766 8.667 311 HZ1 LYS 42 HZ1 LYS 42 -3.496 16.227 6.208 312 HZ2 LYS 42 HZ2 LYS 42 -2.405 16.793 7.309 313 HZ3 LYS 42 HZ3 LYS 42 -3.983 16.577 7.719 314 H VAL 43 H VAL 43 1.084 13.166 5.540 315 HA VAL 43 HA VAL 43 2.607 15.223 7.051 316 HB VAL 43 HB VAL 43 4.243 15.249 5.224 317 HG11 VAL 43 HG11 VAL 43 4.678 13.945 7.302 318 HG12 VAL 43 HG12 VAL 43 4.123 12.479 6.460 319 HG13 VAL 43 HG13 VAL 43 5.557 13.369 5.885 320 HG21 VAL 43 HG21 VAL 43 2.975 12.675 4.227 321 HG22 VAL 43 HG22 VAL 43 2.881 14.262 3.429 322 HG23 VAL 43 HG23 VAL 43 4.447 13.471 3.631 323 H ASP 44 H ASP 44 2.970 17.139 5.679 324 HA ASP 44 HA ASP 44 0.416 17.922 4.458 325 HB2 ASP 44 HB2 ASP 44 2.350 19.232 6.013 326 HB3 ASP 44 HB3 ASP 44 2.705 19.828 4.406 327 H GLU 45 H GLU 45 0.578 19.083 2.295 328 HA GLU 45 HA GLU 45 1.938 17.448 0.354 329 HB2 GLU 45 HB2 GLU 45 0.848 18.826 -1.294 330 HB3 GLU 45 HB3 GLU 45 -0.290 18.296 -0.062 331 HG2 GLU 45 HG2 GLU 45 -0.091 20.570 1.010 332 HG3 GLU 45 HG3 GLU 45 0.950 21.066 -0.337 333 H ASP 46 H ASP 46 2.879 20.215 2.179 334 HA ASP 46 HA ASP 46 4.726 21.235 0.126 335 HB2 ASP 46 HB2 ASP 46 4.277 21.826 3.068 336 HB3 ASP 46 HB3 ASP 46 5.611 22.553 2.159 337 H LYS 47 H LYS 47 4.694 18.691 2.455 338 HA LYS 47 HA LYS 47 7.542 18.697 3.009 339 HB2 LYS 47 HB2 LYS 47 5.697 16.326 3.409 340 HB3 LYS 47 HB3 LYS 47 7.163 16.743 4.289 341 HG2 LYS 47 HG2 LYS 47 4.469 18.132 4.384 342 HG3 LYS 47 HG3 LYS 47 5.210 17.242 5.672 343 HD2 LYS 47 HD2 LYS 47 7.110 19.102 5.467 344 HD3 LYS 47 HD3 LYS 47 5.819 19.992 4.634 345 HE2 LYS 47 HE2 LYS 47 5.106 20.669 6.638 346 HE3 LYS 47 HE3 LYS 47 4.504 19.028 6.878 347 HZ1 LYS 47 HZ1 LYS 47 7.106 20.127 7.772 348 HZ2 LYS 47 HZ2 LYS 47 6.747 18.545 7.884 349 HZ3 LYS 47 HZ3 LYS 47 5.858 19.678 8.703 350 H LYS 48 H LYS 48 5.586 17.462 0.407 351 HA LYS 48 HA LYS 48 7.474 15.414 -0.383 352 HB2 LYS 48 HB2 LYS 48 6.258 15.332 -2.447 353 HB3 LYS 48 HB3 LYS 48 5.079 15.568 -1.162 354 HG2 LYS 48 HG2 LYS 48 5.411 18.140 -1.837 355 HG3 LYS 48 HG3 LYS 48 6.066 17.460 -3.312 356 HD2 LYS 48 HD2 LYS 48 4.027 16.285 -3.801 357 HD3 LYS 48 HD3 LYS 48 3.361 16.638 -2.211 358 HE2 LYS 48 HE2 LYS 48 2.340 17.967 -4.039 359 HE3 LYS 48 HE3 LYS 48 3.057 18.969 -2.771 360 HZ1 LYS 48 HZ1 LYS 48 3.563 19.727 -5.002 361 HZ2 LYS 48 HZ2 LYS 48 4.401 18.334 -5.312 362 HZ3 LYS 48 HZ3 LYS 48 4.921 19.387 -4.147 363 H GLY 49 H GLY 49 8.911 15.437 -2.185 364 HA2 GLY 49 HA2 GLY 49 10.156 18.109 -2.759 365 HA3 GLY 49 HA3 GLY 49 10.988 16.566 -2.736 366 H LYS 50 H LYS 50 8.774 15.210 -4.276 367 HA LYS 50 HA LYS 50 8.355 16.479 -6.805 368 HB2 LYS 50 HB2 LYS 50 9.969 14.939 -8.081 369 HB3 LYS 50 HB3 LYS 50 10.746 16.215 -7.153 370 HG2 LYS 50 HG2 LYS 50 11.088 14.542 -5.273 371 HG3 LYS 50 HG3 LYS 50 10.579 13.265 -6.387 372 HD2 LYS 50 HD2 LYS 50 12.906 15.172 -6.804 373 HD3 LYS 50 HD3 LYS 50 13.037 13.640 -5.940 374 HE2 LYS 50 HE2 LYS 50 12.236 12.454 -8.021 375 HE3 LYS 50 HE3 LYS 50 12.349 14.017 -8.866 376 HZ1 LYS 50 HZ1 LYS 50 14.530 12.476 -7.613 377 HZ2 LYS 50 HZ2 LYS 50 14.713 14.046 -8.041 378 HZ3 LYS 50 HZ3 LYS 50 14.402 12.892 -9.189 379 H VAL 51 H VAL 51 7.089 15.078 -8.197 380 HA VAL 51 HA VAL 51 5.790 12.779 -6.890 381 HB VAL 51 HB VAL 51 5.532 14.254 -9.526 382 HG11 VAL 51 HG11 VAL 51 4.073 11.650 -8.864 383 HG12 VAL 51 HG12 VAL 51 3.804 12.702 -10.284 384 HG13 VAL 51 HG13 VAL 51 5.311 11.834 -10.118 385 HG21 VAL 51 HG21 VAL 51 3.232 14.619 -8.853 386 HG22 VAL 51 HG22 VAL 51 3.425 13.533 -7.462 387 HG23 VAL 51 HG23 VAL 51 4.287 15.092 -7.521 388 H ILE 52 H ILE 52 6.382 10.659 -7.285 389 HA ILE 52 HA ILE 52 8.548 10.182 -9.304 390 HB ILE 52 HB ILE 52 9.464 8.503 -7.827 391 HG12 ILE 52 HG12 ILE 52 7.386 9.393 -5.767 392 HG13 ILE 52 HG13 ILE 52 7.398 7.845 -6.614 393 HG21 ILE 52 HG21 ILE 52 10.193 10.916 -7.767 394 HG22 ILE 52 HG22 ILE 52 9.174 11.143 -6.320 395 HG23 ILE 52 HG23 ILE 52 10.534 10.009 -6.297 396 HD11 ILE 52 HD11 ILE 52 9.460 8.812 -4.607 397 HD12 ILE 52 HD12 ILE 52 8.282 7.501 -4.430 398 HD13 ILE 52 HD13 ILE 52 9.620 7.328 -5.582 399 H GLY 53 H GLY 53 5.392 9.111 -8.101 400 HA2 GLY 53 HA2 GLY 53 4.982 7.482 -10.431 401 HA3 GLY 53 HA3 GLY 53 5.237 6.515 -8.961 402 H ALA 54 H ALA 54 2.807 6.063 -9.683 403 HA ALA 54 HA ALA 54 1.153 7.569 -7.870 404 HB1 ALA 54 HB1 ALA 54 0.964 8.728 -10.189 405 HB2 ALA 54 HB2 ALA 54 0.279 7.228 -10.793 406 HB3 ALA 54 HB3 ALA 54 -0.579 8.126 -9.531 407 H ILE 55 H ILE 55 -0.180 6.116 -6.746 408 HA ILE 55 HA ILE 55 -0.274 3.357 -7.760 409 HB ILE 55 HB ILE 55 -1.437 4.723 -5.301 410 HG12 ILE 55 HG12 ILE 55 0.847 2.730 -5.658 411 HG13 ILE 55 HG13 ILE 55 0.966 4.427 -5.166 412 HG21 ILE 55 HG21 ILE 55 -1.620 1.782 -6.029 413 HG22 ILE 55 HG22 ILE 55 -2.155 2.527 -4.511 414 HG23 ILE 55 HG23 ILE 55 -2.955 2.972 -5.982 415 HD11 ILE 55 HD11 ILE 55 1.161 3.150 -3.173 416 HD12 ILE 55 HD12 ILE 55 -0.472 3.837 -3.141 417 HD13 ILE 55 HD13 ILE 55 -0.210 2.132 -3.568 418 H GLY 56 H GLY 56 -2.697 5.888 -6.886 419 HA2 GLY 56 HA2 GLY 56 -4.686 6.526 -7.825 420 HA3 GLY 56 HA3 GLY 56 -4.106 5.861 -9.344 421 H GLN 57 H GLN 57 -4.128 3.263 -7.199 422 HA GLN 57 HA GLN 57 -6.349 1.998 -8.454 423 HB2 GLN 57 HB2 GLN 57 -4.609 1.243 -6.050 424 HB3 GLN 57 HB3 GLN 57 -5.749 0.193 -6.861 425 HG2 GLN 57 HG2 GLN 57 -4.241 0.998 -9.016 426 HG3 GLN 57 HG3 GLN 57 -3.023 1.043 -7.748 427 HE21 GLN 57 HE21 GLN 57 -1.920 -0.997 -7.494 428 HE22 GLN 57 HE22 GLN 57 -2.724 -2.541 -7.739 429 H THR 58 H THR 58 -8.037 0.818 -7.082 430 HA THR 58 HA THR 58 -8.830 2.166 -4.629 431 HB THR 58 HB THR 58 -10.731 2.132 -6.972 432 HG1 THR 58 HG1 THR 58 -8.928 3.857 -6.710 433 HG21 THR 58 HG21 THR 58 -11.960 1.903 -4.880 434 HG22 THR 58 HG22 THR 58 -12.172 3.555 -5.483 435 HG23 THR 58 HG23 THR 58 -11.044 3.244 -4.150 436 H PHE 59 H PHE 59 -9.665 0.637 -3.294 437 HA PHE 59 HA PHE 59 -10.934 -1.724 -4.500 438 HB2 PHE 59 HB2 PHE 59 -8.736 -1.924 -2.373 439 HB3 PHE 59 HB3 PHE 59 -9.707 -3.249 -2.981 440 HD1 PHE 59 HD2 PHE 59 -6.945 -0.897 -3.771 441 HD2 PHE 59 HD1 PHE 59 -9.295 -4.226 -5.167 442 HE1 PHE 59 HE2 PHE 59 -5.154 -1.512 -5.369 443 HE2 PHE 59 HE1 PHE 59 -7.568 -4.741 -6.838 444 HZ PHE 59 HZ PHE 59 -5.500 -3.383 -6.978 445 H PHE 60 H PHE 60 -11.978 -3.118 -2.526 446 HA PHE 60 HA PHE 60 -12.933 -1.293 -0.407 447 HB2 PHE 60 HB2 PHE 60 -14.708 -3.071 -2.124 448 HB3 PHE 60 HB3 PHE 60 -15.208 -2.119 -0.737 449 HD1 PHE 60 HD1 PHE 60 -13.973 -1.902 -4.253 450 HD2 PHE 60 HD2 PHE 60 -15.892 0.165 -0.988 451 HE1 PHE 60 HE1 PHE 60 -14.518 -0.064 -5.757 452 HE2 PHE 60 HE2 PHE 60 -16.573 1.958 -2.519 453 HZ PHE 60 HZ PHE 60 -15.870 1.905 -4.917 454 H VAL 61 H VAL 61 -13.572 -2.413 1.570 455 HA VAL 61 HA VAL 61 -13.388 -5.323 1.552 456 HB VAL 61 HB VAL 61 -12.066 -5.343 3.595 457 HG11 VAL 61 HG11 VAL 61 -10.631 -3.961 1.305 458 HG12 VAL 61 HG12 VAL 61 -9.912 -4.949 2.606 459 HG13 VAL 61 HG13 VAL 61 -10.998 -5.697 1.430 460 HG21 VAL 61 HG21 VAL 61 -12.515 -3.133 4.450 461 HG22 VAL 61 HG22 VAL 61 -10.771 -3.365 4.268 462 HG23 VAL 61 HG23 VAL 61 -11.661 -2.376 3.079 463 H ASP 62 H ASP 62 -14.288 -6.184 3.731 464 HA ASP 62 HA ASP 62 -16.625 -4.554 4.494 465 HB2 ASP 62 HB2 ASP 62 -17.753 -6.581 5.054 466 HB3 ASP 62 HB3 ASP 62 -17.011 -6.830 3.470 467 H GLY 63 H GLY 63 -17.276 -5.767 6.901 468 HA2 GLY 63 HA2 GLY 63 -15.623 -4.278 8.724 469 HA3 GLY 63 HA3 GLY 63 -16.969 -5.349 9.105 470 H ASP 64 H ASP 64 -15.370 -7.531 7.379 471 HA ASP 64 HA ASP 64 -13.849 -8.552 9.707 472 HB2 ASP 64 HB2 ASP 64 -15.550 -9.945 8.515 473 HB3 ASP 64 HB3 ASP 64 -14.592 -9.856 7.044 474 H GLY 65 H GLY 65 -13.471 -7.113 6.558 475 HA2 GLY 65 HA2 GLY 65 -11.461 -6.010 5.873 476 HA3 GLY 65 HA3 GLY 65 -10.503 -7.152 6.812 477 H LYS 66 H LYS 66 -13.224 -8.204 4.699 478 HA LYS 66 HA LYS 66 -11.243 -9.736 3.099 479 HB2 LYS 66 HB2 LYS 66 -14.231 -10.018 3.545 480 HB3 LYS 66 HB3 LYS 66 -13.378 -10.817 2.217 481 HG2 LYS 66 HG2 LYS 66 -11.724 -11.646 4.115 482 HG3 LYS 66 HG3 LYS 66 -13.074 -11.254 5.186 483 HD2 LYS 66 HD2 LYS 66 -13.224 -13.564 4.671 484 HD3 LYS 66 HD3 LYS 66 -14.515 -12.788 3.735 485 HE2 LYS 66 HE2 LYS 66 -12.966 -12.809 1.733 486 HE3 LYS 66 HE3 LYS 66 -11.750 -13.622 2.713 487 HZ1 LYS 66 HZ1 LYS 66 -12.910 -15.218 1.413 488 HZ2 LYS 66 HZ2 LYS 66 -14.378 -14.720 1.923 489 HZ3 LYS 66 HZ3 LYS 66 -13.347 -15.466 2.972 490 H ARG 67 H ARG 67 -10.953 -9.474 0.965 491 HA ARG 67 HA ARG 67 -11.572 -6.979 -0.242 492 HB2 ARG 67 HB2 ARG 67 -10.023 -9.422 -0.853 493 HB3 ARG 67 HB3 ARG 67 -10.838 -8.852 -2.292 494 HG2 ARG 67 HG2 ARG 67 -9.067 -7.130 -0.537 495 HG3 ARG 67 HG3 ARG 67 -8.531 -7.965 -1.994 496 HD2 ARG 67 HD2 ARG 67 -10.519 -5.681 -1.771 497 HD3 ARG 67 HD3 ARG 67 -8.941 -5.653 -2.535 498 HE ARG 67 HE ARG 67 -11.452 -6.459 -3.691 499 HH11 ARG 67 HH11 ARG 67 -8.268 -7.932 -3.974 500 HH12 ARG 67 HH12 ARG 67 -8.116 -7.680 -5.660 501 HH21 ARG 67 HH21 ARG 67 -11.310 -6.165 -6.021 502 HH22 ARG 67 HH22 ARG 67 -9.958 -6.850 -6.852 503 H TRP 68 H TRP 68 -13.496 -6.367 -1.066 504 HA TRP 68 HA TRP 68 -15.650 -8.224 -1.579 505 HB2 TRP 68 HB2 TRP 68 -15.131 -5.306 -2.222 506 HB3 TRP 68 HB3 TRP 68 -16.499 -6.133 -2.922 507 HD1 TRP 68 HD1 TRP 68 -15.194 -5.526 0.690 508 HE1 TRP 68 HE1 TRP 68 -17.225 -5.138 2.211 509 HE3 TRP 68 HE3 TRP 68 -18.891 -6.483 -2.686 510 HZ2 TRP 68 HZ2 TRP 68 -20.105 -5.337 1.991 511 HZ3 TRP 68 HZ3 TRP 68 -21.270 -6.480 -1.978 512 HH2 TRP 68 HH2 TRP 68 -21.880 -5.904 0.342 513 H SER 69 H SER 69 -16.231 -9.291 -3.414 514 HA SER 69 HA SER 69 -14.406 -9.280 -5.723 515 HB2 SER 69 HB2 SER 69 -17.003 -10.802 -5.171 516 HB3 SER 69 HB3 SER 69 -15.871 -11.110 -6.495 517 HG SER 69 HG SER 69 -14.415 -11.162 -4.312 518 H GLU 70 H GLU 70 -15.127 -8.600 -7.891 519 HA GLU 70 HA GLU 70 -16.869 -6.382 -7.978 520 HB2 GLU 70 HB2 GLU 70 -15.667 -8.241 -10.025 521 HB3 GLU 70 HB3 GLU 70 -16.907 -7.083 -10.530 522 HG2 GLU 70 HG2 GLU 70 -15.649 -5.201 -9.791 523 HG3 GLU 70 HG3 GLU 70 -14.511 -6.197 -8.900 524 H GLU 71 H GLU 71 -17.617 -9.807 -8.249 525 HA GLU 71 HA GLU 71 -20.205 -9.513 -9.386 526 HB2 GLU 71 HB2 GLU 71 -19.216 -11.762 -7.604 527 HB3 GLU 71 HB3 GLU 71 -20.571 -11.796 -8.748 528 HG2 GLU 71 HG2 GLU 71 -18.508 -10.854 -10.365 529 HG3 GLU 71 HG3 GLU 71 -17.622 -11.831 -9.202 530 H GLU 72 H GLU 72 -18.969 -9.195 -6.165 531 HA GLU 72 HA GLU 72 -21.592 -9.219 -4.823 532 HB2 GLU 72 HB2 GLU 72 -18.809 -8.501 -3.823 533 HB3 GLU 72 HB3 GLU 72 -20.257 -8.662 -2.810 534 HG2 GLU 72 HG2 GLU 72 -20.452 -10.988 -3.240 535 HG3 GLU 72 HG3 GLU 72 -19.273 -10.970 -4.548 536 H LEU 73 H LEU 73 -19.357 -6.971 -6.298 537 HA LEU 73 HA LEU 73 -20.494 -4.555 -5.127 538 HB2 LEU 73 HB2 LEU 73 -18.667 -4.889 -7.546 539 HB3 LEU 73 HB3 LEU 73 -19.104 -3.365 -6.791 540 HG LEU 73 HG LEU 73 -17.516 -5.575 -5.428 541 HD11 LEU 73 HD11 LEU 73 -16.598 -2.838 -6.388 542 HD12 LEU 73 HD12 LEU 73 -16.278 -4.363 -7.237 543 HD13 LEU 73 HD13 LEU 73 -15.616 -4.104 -5.618 544 HD21 LEU 73 HD21 LEU 73 -17.105 -3.847 -3.692 545 HD22 LEU 73 HD22 LEU 73 -18.799 -4.340 -3.772 546 HD23 LEU 73 HD23 LEU 73 -18.296 -2.796 -4.502 547 H LYS 74 H LYS 74 -21.043 -6.364 -8.154 548 HA LYS 74 HA LYS 74 -22.490 -4.258 -9.464 549 HB2 LYS 74 HB2 LYS 74 -23.107 -5.858 -11.099 550 HB3 LYS 74 HB3 LYS 74 -21.503 -6.346 -10.536 551 HG2 LYS 74 HG2 LYS 74 -22.843 -7.854 -8.879 552 HG3 LYS 74 HG3 LYS 74 -24.214 -7.617 -9.931 553 HD2 LYS 74 HD2 LYS 74 -21.602 -8.618 -11.113 554 HD3 LYS 74 HD3 LYS 74 -22.589 -9.691 -10.120 555 HE2 LYS 74 HE2 LYS 74 -24.578 -9.054 -11.611 556 HE3 LYS 74 HE3 LYS 74 -23.387 -8.369 -12.728 557 HZ1 LYS 74 HZ1 LYS 74 -22.334 -10.599 -12.748 558 HZ2 LYS 74 HZ2 LYS 74 -23.886 -10.659 -13.285 559 HZ3 LYS 74 HZ3 LYS 74 -23.507 -11.174 -11.768 560 H GLU 75 H GLU 75 -23.423 -6.522 -6.959 561 HA GLU 75 HA GLU 75 -26.166 -6.657 -7.313 562 HB2 GLU 75 HB2 GLU 75 -24.753 -6.475 -4.648 563 HB3 GLU 75 HB3 GLU 75 -26.282 -7.271 -4.941 564 HG2 GLU 75 HG2 GLU 75 -25.198 -8.977 -6.331 565 HG3 GLU 75 HG3 GLU 75 -23.639 -8.187 -6.098 566 HA PRO 76 HA PRO 76 -27.625 -2.631 -6.172 567 HB2 PRO 76 HB2 PRO 76 -30.164 -3.132 -5.284 568 HB3 PRO 76 HB3 PRO 76 -29.674 -3.289 -6.997 569 HG2 PRO 76 HG2 PRO 76 -30.072 -5.460 -4.963 570 HG3 PRO 76 HG3 PRO 76 -30.459 -5.479 -6.708 571 HD2 PRO 76 HD2 PRO 76 -28.187 -6.575 -5.500 572 HD3 PRO 76 HD3 PRO 76 -28.251 -6.178 -7.221 573 H TYR 77 H TYR 77 -27.504 -1.301 -4.344 574 HA TYR 77 HA TYR 77 -26.640 -2.623 -1.905 575 HB2 TYR 77 HB2 TYR 77 -25.622 -0.498 -2.634 576 HB3 TYR 77 HB3 TYR 77 -27.168 0.333 -2.421 577 HD1 TYR 77 HD1 TYR 77 -25.194 -2.196 -0.385 578 HD2 TYR 77 HD2 TYR 77 -27.167 1.647 -0.437 579 HE1 TYR 77 HE1 TYR 77 -24.620 -1.890 1.933 580 HE2 TYR 77 HE2 TYR 77 -26.608 1.955 1.952 581 HH TYR 77 HH TYR 77 -24.625 -0.495 3.699 582 H ILE 78 H ILE 78 -29.387 -0.422 -2.688 583 HA ILE 78 HA ILE 78 -30.678 -1.035 -0.179 584 HB ILE 78 HB ILE 78 -32.654 0.036 -1.023 585 HG12 ILE 78 HG12 ILE 78 -31.303 0.405 -3.730 586 HG13 ILE 78 HG13 ILE 78 -32.579 -0.774 -3.401 587 HG21 ILE 78 HG21 ILE 78 -31.731 2.272 -1.229 588 HG22 ILE 78 HG22 ILE 78 -30.697 1.334 -0.154 589 HG23 ILE 78 HG23 ILE 78 -30.184 1.637 -1.826 590 HD11 ILE 78 HD11 ILE 78 -32.874 2.236 -3.216 591 HD12 ILE 78 HD12 ILE 78 -33.590 1.140 -4.412 592 HD13 ILE 78 HD13 ILE 78 -34.106 1.047 -2.716 593 H SER 79 H SER 79 -32.006 -2.709 0.329 594 HA SER 79 HA SER 79 -33.200 -4.447 -1.613 595 HB2 SER 79 HB2 SER 79 -30.759 -5.341 -0.029 596 HB3 SER 79 HB3 SER 79 -31.949 -6.488 -0.693 597 HG SER 79 HG SER 79 -30.847 -4.506 -2.350 598 H ASN 80 H ASN 80 -34.236 -6.348 -0.237 599 HA ASN 80 HA ASN 80 -35.706 -4.957 1.833 600 HB2 ASN 80 HB2 ASN 80 -36.236 -7.133 0.027 601 HB3 ASN 80 HB3 ASN 80 -36.498 -7.724 1.663 602 HD21 ASN 80 HD21 ASN 80 -37.692 -5.989 3.151 603 HD22 ASN 80 HD22 ASN 80 -39.077 -5.226 2.352 604 H ASN 81 H ASN 81 -32.908 -6.998 2.147 605 HA ASN 81 HA ASN 81 -33.684 -7.565 4.976 606 HB2 ASN 81 HB2 ASN 81 -31.884 -9.150 3.153 607 HB3 ASN 81 HB3 ASN 81 -32.043 -9.398 4.888 608 HD21 ASN 81 HD21 ASN 81 -32.391 -11.501 3.371 609 HD22 ASN 81 HD22 ASN 81 -34.093 -11.948 3.310 610 HA PRO 82 HA PRO 82 -30.105 -4.627 4.936 611 HB2 PRO 82 HB2 PRO 82 -30.683 -3.355 7.297 612 HB3 PRO 82 HB3 PRO 82 -31.459 -2.962 5.709 613 HG2 PRO 82 HG2 PRO 82 -32.520 -4.718 7.943 614 HG3 PRO 82 HG3 PRO 82 -33.377 -3.404 7.070 615 HD2 PRO 82 HD2 PRO 82 -33.659 -6.027 6.377 616 HD3 PRO 82 HD3 PRO 82 -33.630 -4.741 5.126 617 H ASP 83 H ASP 83 -31.005 -7.269 6.921 618 HA ASP 83 HA ASP 83 -28.749 -7.025 8.801 619 HB2 ASP 83 HB2 ASP 83 -30.940 -7.828 9.508 620 HB3 ASP 83 HB3 ASP 83 -30.868 -9.170 8.324 621 H GLU 84 H GLU 84 -29.735 -8.934 5.983 622 HA GLU 84 HA GLU 84 -27.605 -10.832 5.958 623 HB2 GLU 84 HB2 GLU 84 -29.584 -9.752 3.901 624 HB3 GLU 84 HB3 GLU 84 -28.425 -10.991 3.470 625 HG2 GLU 84 HG2 GLU 84 -30.408 -11.326 5.771 626 HG3 GLU 84 HG3 GLU 84 -30.757 -11.778 4.108 627 H ILE 85 H ILE 85 -27.669 -7.484 4.891 628 HA ILE 85 HA ILE 85 -25.513 -7.847 2.951 629 HB ILE 85 HB ILE 85 -25.649 -5.503 2.548 630 HG12 ILE 85 HG12 ILE 85 -27.694 -5.261 4.781 631 HG13 ILE 85 HG13 ILE 85 -25.996 -4.817 4.963 632 HG21 ILE 85 HG21 ILE 85 -28.493 -6.592 2.837 633 HG22 ILE 85 HG22 ILE 85 -27.907 -5.394 1.666 634 HG23 ILE 85 HG23 ILE 85 -27.365 -7.069 1.559 635 HD11 ILE 85 HD11 ILE 85 -27.998 -3.524 3.084 636 HD12 ILE 85 HD12 ILE 85 -27.196 -2.824 4.506 637 HD13 ILE 85 HD13 ILE 85 -26.245 -3.206 3.063 638 H ARG 86 H ARG 86 -23.606 -6.233 3.109 639 HA ARG 86 HA ARG 86 -22.494 -6.270 5.849 640 HB2 ARG 86 HB2 ARG 86 -21.675 -8.053 3.778 641 HB3 ARG 86 HB3 ARG 86 -20.467 -6.776 3.766 642 HG2 ARG 86 HG2 ARG 86 -19.643 -8.377 5.290 643 HG3 ARG 86 HG3 ARG 86 -20.286 -7.088 6.310 644 HD2 ARG 86 HD2 ARG 86 -22.398 -8.392 6.564 645 HD3 ARG 86 HD3 ARG 86 -21.712 -9.679 5.558 646 HE ARG 86 HE ARG 86 -19.826 -9.400 7.477 647 HH11 ARG 86 HH11 ARG 86 -23.302 -10.143 7.454 648 HH12 ARG 86 HH12 ARG 86 -23.369 -10.714 9.098 649 HH21 ARG 86 HH21 ARG 86 -19.885 -10.447 9.631 650 HH22 ARG 86 HH22 ARG 86 -21.400 -10.825 10.374 651 H GLU 87 H GLU 87 -20.623 -4.812 6.099 652 HA GLU 87 HA GLU 87 -21.169 -2.284 4.803 653 HB2 GLU 87 HB2 GLU 87 -19.447 -1.347 6.200 654 HB3 GLU 87 HB3 GLU 87 -20.558 -2.322 7.152 655 HG2 GLU 87 HG2 GLU 87 -18.901 -4.212 6.975 656 HG3 GLU 87 HG3 GLU 87 -17.752 -3.066 6.265 657 H LYS 88 H LYS 88 -19.569 -1.042 3.602 658 HA LYS 88 HA LYS 88 -17.440 -2.640 2.280 659 HB2 LYS 88 HB2 LYS 88 -19.509 -2.830 1.016 660 HB3 LYS 88 HB3 LYS 88 -19.686 -1.075 0.954 661 HG2 LYS 88 HG2 LYS 88 -17.782 -0.836 -0.441 662 HG3 LYS 88 HG3 LYS 88 -17.242 -2.500 -0.103 663 HD2 LYS 88 HD2 LYS 88 -18.162 -2.237 -2.308 664 HD3 LYS 88 HD3 LYS 88 -19.059 -3.435 -1.357 665 HE2 LYS 88 HE2 LYS 88 -20.148 -0.659 -1.332 666 HE3 LYS 88 HE3 LYS 88 -20.142 -1.443 -2.911 667 HZ1 LYS 88 HZ1 LYS 88 -21.520 -3.197 -2.091 668 HZ2 LYS 88 HZ2 LYS 88 -22.180 -1.764 -1.651 669 HZ3 LYS 88 HZ3 LYS 88 -21.422 -2.660 -0.532 670 H LYS 89 H LYS 89 -15.816 -1.548 3.259 671 HA LYS 89 HA LYS 89 -15.675 1.317 3.559 672 HB2 LYS 89 HB2 LYS 89 -13.572 -0.839 4.012 673 HB3 LYS 89 HB3 LYS 89 -13.518 0.816 4.606 674 HG2 LYS 89 HG2 LYS 89 -15.370 0.353 6.162 675 HG3 LYS 89 HG3 LYS 89 -15.586 -1.260 5.448 676 HD2 LYS 89 HD2 LYS 89 -13.110 -1.688 6.041 677 HD3 LYS 89 HD3 LYS 89 -13.209 -0.272 7.083 678 HE2 LYS 89 HE2 LYS 89 -15.327 -2.416 7.231 679 HE3 LYS 89 HE3 LYS 89 -13.729 -2.790 7.867 680 HZ1 LYS 89 HZ1 LYS 89 -14.605 -0.271 8.828 681 HZ2 LYS 89 HZ2 LYS 89 -14.161 -1.604 9.676 682 HZ3 LYS 89 HZ3 LYS 89 -15.737 -1.433 9.136 683 HA PRO 90 HA PRO 90 -13.669 1.265 -0.584 684 HB2 PRO 90 HB2 PRO 90 -13.669 3.933 -1.053 685 HB3 PRO 90 HB3 PRO 90 -15.167 2.977 -1.186 686 HG2 PRO 90 HG2 PRO 90 -14.280 4.695 1.117 687 HG3 PRO 90 HG3 PRO 90 -15.908 4.570 0.385 688 HD2 PRO 90 HD2 PRO 90 -15.191 3.180 2.684 689 HD3 PRO 90 HD3 PRO 90 -16.380 2.596 1.496 690 H LEU 91 H LEU 91 -11.508 1.586 -1.135 691 HA LEU 91 HA LEU 91 -9.674 3.010 0.754 692 HB2 LEU 91 HB2 LEU 91 -9.150 0.447 -0.804 693 HB3 LEU 91 HB3 LEU 91 -8.087 1.201 0.365 694 HG LEU 91 HG LEU 91 -10.792 -0.074 1.010 695 HD11 LEU 91 HD11 LEU 91 -7.978 -1.164 1.298 696 HD12 LEU 91 HD12 LEU 91 -9.196 -1.694 0.111 697 HD13 LEU 91 HD13 LEU 91 -9.465 -1.959 1.847 698 HD21 LEU 91 HD21 LEU 91 -10.051 1.623 2.704 699 HD22 LEU 91 HD22 LEU 91 -8.529 0.724 2.899 700 HD23 LEU 91 HD23 LEU 91 -10.071 -0.025 3.338 701 H ARG 92 H ARG 92 -9.476 4.914 -0.591 702 HA ARG 92 HA ARG 92 -8.932 4.539 -3.489 703 HB2 ARG 92 HB2 ARG 92 -9.557 6.950 -1.717 704 HB3 ARG 92 HB3 ARG 92 -9.072 7.072 -3.422 705 HG2 ARG 92 HG2 ARG 92 -10.940 5.668 -4.105 706 HG3 ARG 92 HG3 ARG 92 -11.478 5.494 -2.416 707 HD2 ARG 92 HD2 ARG 92 -12.023 7.820 -2.255 708 HD3 ARG 92 HD3 ARG 92 -11.088 8.204 -3.697 709 HE ARG 92 HE ARG 92 -13.266 6.270 -4.053 710 HH11 ARG 92 HH11 ARG 92 -12.713 9.795 -4.142 711 HH12 ARG 92 HH12 ARG 92 -14.172 10.069 -5.042 712 HH21 ARG 92 HH21 ARG 92 -14.868 6.634 -5.537 713 HH22 ARG 92 HH22 ARG 92 -15.422 8.272 -5.808 714 H TYR 93 H TYR 93 -6.834 4.434 -4.156 715 HA TYR 93 HA TYR 93 -4.762 5.559 -2.363 716 HB2 TYR 93 HB2 TYR 93 -4.582 3.690 -4.713 717 HB3 TYR 93 HB3 TYR 93 -3.218 4.342 -3.785 718 HD1 TYR 93 HD1 TYR 93 -2.763 3.620 -1.463 719 HD2 TYR 93 HD2 TYR 93 -6.035 1.981 -3.751 720 HE1 TYR 93 HE1 TYR 93 -3.059 1.871 0.237 721 HE2 TYR 93 HE2 TYR 93 -6.373 0.242 -1.998 722 HH TYR 93 HH TYR 93 -5.412 -0.777 -0.083 723 H GLY 94 H GLY 94 -3.331 7.097 -2.948 724 HA2 GLY 94 HA2 GLY 94 -3.892 9.026 -4.835 725 HA3 GLY 94 HA3 GLY 94 -3.003 8.870 -3.333 726 H LYS 95 H LYS 95 -1.879 10.289 -5.343 727 HA LYS 95 HA LYS 95 -0.145 8.675 -7.036 728 HB2 LYS 95 HB2 LYS 95 -1.062 10.868 -7.723 729 HB3 LYS 95 HB3 LYS 95 -0.228 11.654 -6.374 730 HG2 LYS 95 HG2 LYS 95 1.915 11.239 -7.357 731 HG3 LYS 95 HG3 LYS 95 1.233 10.134 -8.570 732 HD2 LYS 95 HD2 LYS 95 0.462 13.076 -8.369 733 HD3 LYS 95 HD3 LYS 95 1.856 12.523 -9.284 734 HE2 LYS 95 HE2 LYS 95 0.287 10.955 -10.559 735 HE3 LYS 95 HE3 LYS 95 -1.048 11.873 -9.833 736 HZ1 LYS 95 HZ1 LYS 95 1.108 12.945 -11.567 737 HZ2 LYS 95 HZ2 LYS 95 -0.034 13.878 -10.831 738 HZ3 LYS 95 HZ3 LYS 95 -0.451 12.766 -11.989 739 H VAL 96 H VAL 96 2.450 9.177 -6.699 740 HA VAL 96 HA VAL 96 3.015 9.141 -3.783 741 HB VAL 96 HB VAL 96 4.292 7.434 -5.949 742 HG11 VAL 96 HG11 VAL 96 5.906 7.937 -4.106 743 HG12 VAL 96 HG12 VAL 96 4.708 7.347 -2.923 744 HG13 VAL 96 HG13 VAL 96 5.414 6.248 -4.113 745 HG21 VAL 96 HG21 VAL 96 3.246 5.543 -4.739 746 HG22 VAL 96 HG22 VAL 96 2.438 6.668 -3.646 747 HG23 VAL 96 HG23 VAL 96 2.005 6.636 -5.367 748 H TYR 97 H TYR 97 4.896 10.118 -3.082 749 HA TYR 97 HA TYR 97 6.399 11.757 -5.041 750 HB2 TYR 97 HB2 TYR 97 5.625 12.696 -2.268 751 HB3 TYR 97 HB3 TYR 97 6.153 13.646 -3.626 752 HD1 TYR 97 HD2 TYR 97 3.255 11.896 -2.074 753 HD2 TYR 97 HD1 TYR 97 4.595 14.404 -5.308 754 HE1 TYR 97 HE2 TYR 97 0.897 12.387 -2.641 755 HE2 TYR 97 HE1 TYR 97 2.244 14.953 -5.866 756 HH TYR 97 HH TYR 97 0.022 14.688 -5.235 757 H SER 98 H SER 98 8.335 12.698 -3.823 758 HA SER 98 HA SER 98 9.814 10.596 -2.308 759 HB2 SER 98 HB2 SER 98 10.829 11.339 -4.375 760 HB3 SER 98 HB3 SER 98 10.520 13.030 -3.970 761 HG SER 98 HG SER 98 12.116 12.845 -2.286 762 H THR 99 H THR 99 10.928 11.269 -0.413 763 HA THR 99 HA THR 99 9.673 13.460 1.114 764 HB THR 99 HB THR 99 11.450 12.637 2.832 765 HG1 THR 99 HG1 THR 99 12.434 10.786 2.453 766 HG21 THR 99 HG21 THR 99 9.125 11.921 3.094 767 HG22 THR 99 HG22 THR 99 10.203 10.574 3.441 768 HG23 THR 99 HG23 THR 99 9.353 10.625 1.885 769 H ASN 100 H ASN 100 11.085 15.223 2.012 770 HA ASN 100 HA ASN 100 12.870 16.206 -0.131 771 HB2 ASN 100 HB2 ASN 100 11.680 17.437 2.346 772 HB3 ASN 100 HB3 ASN 100 13.134 18.141 1.634 773 HD21 ASN 100 HD21 ASN 100 9.957 18.715 1.717 774 HD22 ASN 100 HD22 ASN 100 9.719 19.345 0.113 775 H GLU 101 H GLU 101 14.436 14.547 0.051 776 HA GLU 101 HA GLU 101 16.216 14.676 2.460 777 HB2 GLU 101 HB2 GLU 101 15.854 12.367 0.519 778 HB3 GLU 101 HB3 GLU 101 16.895 12.371 1.952 779 HG2 GLU 101 HG2 GLU 101 13.869 12.584 1.984 780 HG3 GLU 101 HG3 GLU 101 14.780 11.090 2.200 781 H ASP 102 H ASP 102 16.028 14.986 -0.939 782 HA ASP 102 HA ASP 102 17.538 15.190 -2.632 783 HB2 ASP 102 HB2 ASP 102 17.463 17.433 -1.194 784 HB3 ASP 102 HB3 ASP 102 19.163 17.081 -0.966 785 H SER 103 H SER 103 18.163 12.863 -1.143 786 HA SER 103 HA SER 103 21.094 12.653 -1.500 787 HB2 SER 103 HB2 SER 103 19.265 11.469 0.634 788 HB3 SER 103 HB3 SER 103 20.989 11.113 0.446 789 HG SER 103 HG SER 103 19.764 13.606 1.072 790 H ASP 104 H ASP 104 21.684 10.317 -1.626 791 HA ASP 104 HA ASP 104 20.320 9.060 -3.829 792 HB2 ASP 104 HB2 ASP 104 22.781 8.506 -2.117 793 HB3 ASP 104 HB3 ASP 104 22.116 7.160 -3.029 794 H ALA 105 H ALA 105 20.160 8.757 -0.429 795 HA ALA 105 HA ALA 105 19.651 6.302 0.398 796 HB1 ALA 105 HB1 ALA 105 18.006 8.771 1.024 797 HB2 ALA 105 HB2 ALA 105 18.028 7.292 2.005 798 HB3 ALA 105 HB3 ALA 105 19.511 8.241 1.808 799 H LYS 106 H LYS 106 16.811 8.207 -0.740 800 HA LYS 106 HA LYS 106 14.753 7.600 -1.377 801 HB2 LYS 106 HB2 LYS 106 16.451 7.245 -3.313 802 HB3 LYS 106 HB3 LYS 106 16.080 5.551 -3.172 803 HG2 LYS 106 HG2 LYS 106 13.964 7.730 -3.541 804 HG3 LYS 106 HG3 LYS 106 14.858 7.075 -4.902 805 HD2 LYS 106 HD2 LYS 106 12.893 5.551 -3.152 806 HD3 LYS 106 HD3 LYS 106 12.680 6.076 -4.820 807 HE2 LYS 106 HE2 LYS 106 14.591 4.665 -5.544 808 HE3 LYS 106 HE3 LYS 106 14.824 4.114 -3.880 809 HZ1 LYS 106 HZ1 LYS 106 12.428 3.601 -5.518 810 HZ2 LYS 106 HZ2 LYS 106 12.656 3.098 -3.961 811 HZ3 LYS 106 HZ3 LYS 106 13.628 2.534 -5.171 812 H ASP 107 H ASP 107 15.550 6.341 1.040 813 HA ASP 107 HA ASP 107 14.418 3.628 0.964 814 HB2 ASP 107 HB2 ASP 107 15.219 3.490 3.294 815 HB3 ASP 107 HB3 ASP 107 16.458 3.702 2.072 816 H GLU 108 H GLU 108 13.253 6.751 1.326 817 HA GLU 108 HA GLU 108 10.787 5.775 2.604 818 HB2 GLU 108 HB2 GLU 108 12.617 7.958 3.543 819 HB3 GLU 108 HB3 GLU 108 10.847 8.225 3.637 820 HG2 GLU 108 HG2 GLU 108 10.563 6.309 5.094 821 HG3 GLU 108 HG3 GLU 108 12.306 5.927 4.940 822 H ILE 109 H ILE 109 9.022 6.843 1.790 823 HA ILE 109 HA ILE 109 9.273 8.915 -0.286 824 HB ILE 109 HB ILE 109 7.867 7.560 -1.892 825 HG12 ILE 109 HG12 ILE 109 8.344 4.966 -1.651 826 HG13 ILE 109 HG13 ILE 109 8.429 5.316 0.069 827 HG21 ILE 109 HG21 ILE 109 10.271 7.947 -2.211 828 HG22 ILE 109 HG22 ILE 109 10.617 6.406 -1.381 829 HG23 ILE 109 HG23 ILE 109 9.719 6.408 -2.900 830 HD11 ILE 109 HD11 ILE 109 6.108 5.523 -1.836 831 HD12 ILE 109 HD12 ILE 109 6.198 4.800 -0.215 832 HD13 ILE 109 HD13 ILE 109 6.095 6.535 -0.381 833 H ILE 110 H ILE 110 6.740 9.367 -1.045 834 HA ILE 110 HA ILE 110 5.113 9.235 1.437 835 HB ILE 110 HB ILE 110 5.273 11.559 -0.494 836 HG12 ILE 110 HG12 ILE 110 6.779 11.032 2.085 837 HG13 ILE 110 HG13 ILE 110 7.472 11.350 0.494 838 HG21 ILE 110 HG21 ILE 110 3.189 11.267 0.971 839 HG22 ILE 110 HG22 ILE 110 4.258 11.505 2.367 840 HG23 ILE 110 HG23 ILE 110 4.043 12.793 1.166 841 HD11 ILE 110 HD11 ILE 110 6.634 13.610 0.532 842 HD12 ILE 110 HD12 ILE 110 6.046 13.369 2.206 843 HD13 ILE 110 HD13 ILE 110 7.758 13.253 1.874 844 H VAL 111 H VAL 111 3.475 7.946 1.083 845 HA VAL 111 HA VAL 111 2.253 7.556 -1.586 846 HB VAL 111 HB VAL 111 1.790 6.119 1.052 847 HG11 VAL 111 HG11 VAL 111 1.146 5.001 -1.643 848 HG12 VAL 111 HG12 VAL 111 0.773 4.353 -0.037 849 HG13 VAL 111 HG13 VAL 111 -0.045 5.785 -0.562 850 HG21 VAL 111 HG21 VAL 111 4.096 5.765 0.518 851 HG22 VAL 111 HG22 VAL 111 3.224 4.292 0.160 852 HG23 VAL 111 HG23 VAL 111 3.695 5.381 -1.170 853 H GLU 112 H GLU 112 0.278 8.494 -2.046 854 HA GLU 112 HA GLU 112 -1.143 9.923 0.121 855 HB2 GLU 112 HB2 GLU 112 -0.847 11.088 -1.957 856 HB3 GLU 112 HB3 GLU 112 -1.381 9.798 -2.855 857 HG2 GLU 112 HG2 GLU 112 -3.727 10.158 -1.717 858 HG3 GLU 112 HG3 GLU 112 -3.063 11.623 -1.064 859 H PHE 113 H PHE 113 -3.165 9.187 0.875 860 HA PHE 113 HA PHE 113 -4.545 6.968 -0.427 861 HB2 PHE 113 HB2 PHE 113 -2.823 6.029 1.172 862 HB3 PHE 113 HB3 PHE 113 -3.625 6.867 2.487 863 HD1 PHE 113 HD2 PHE 113 -5.226 4.962 -0.354 864 HD2 PHE 113 HD1 PHE 113 -4.150 4.918 3.805 865 HE1 PHE 113 HE2 PHE 113 -6.605 3.007 -0.065 866 HE2 PHE 113 HE1 PHE 113 -5.470 2.851 4.101 867 HZ PHE 113 HZ PHE 113 -6.735 1.886 2.193 868 H ASN 114 H ASN 114 -6.769 7.104 0.076 869 HA ASN 114 HA ASN 114 -8.703 8.242 0.491 870 HB2 ASN 114 HB2 ASN 114 -7.517 8.789 3.251 871 HB3 ASN 114 HB3 ASN 114 -9.215 8.678 2.828 872 HD21 ASN 114 HD21 ASN 114 -9.873 6.364 1.833 873 HD22 ASN 114 HD22 ASN 114 -9.151 5.061 2.763 874 H ARG 115 H ARG 115 -6.632 9.817 -0.745 875 HA ARG 115 HA ARG 115 -6.222 11.876 -1.455 876 HB2 ARG 115 HB2 ARG 115 -8.637 12.957 -0.028 877 HB3 ARG 115 HB3 ARG 115 -7.838 13.545 -1.480 878 HG2 ARG 115 HG2 ARG 115 -9.523 12.565 -2.558 879 HG3 ARG 115 HG3 ARG 115 -8.553 11.115 -2.416 880 HD2 ARG 115 HD2 ARG 115 -10.867 10.606 -1.774 881 HD3 ARG 115 HD3 ARG 115 -9.869 10.479 -0.354 882 HE ARG 115 HE ARG 115 -10.915 12.254 0.604 883 HH11 ARG 115 HH11 ARG 115 -11.815 12.180 -2.859 884 HH12 ARG 115 HH12 ARG 115 -12.962 13.486 -2.686 885 HH21 ARG 115 HH21 ARG 115 -12.325 14.027 0.740 886 HH22 ARG 115 HH22 ARG 115 -13.300 14.526 -0.595 887 H GLU 116 H GLU 116 -5.077 11.043 1.232 888 HA GLU 116 HA GLU 116 -4.221 13.721 2.168 889 HB2 GLU 116 HB2 GLU 116 -4.759 11.139 3.693 890 HB3 GLU 116 HB3 GLU 116 -3.812 12.479 4.343 891 HG2 GLU 116 HG2 GLU 116 -5.826 13.910 4.256 892 HG3 GLU 116 HG3 GLU 116 -6.771 12.537 3.627 893 H TYR 117 H TYR 117 -1.907 13.747 2.525 894 HA TYR 117 HA TYR 117 -0.453 11.537 1.157 895 HB2 TYR 117 HB2 TYR 117 0.579 14.205 2.135 896 HB3 TYR 117 HB3 TYR 117 1.477 12.992 1.240 897 HD1 TYR 117 HD1 TYR 117 -1.739 13.070 -0.326 898 HD2 TYR 117 HD2 TYR 117 1.879 15.369 0.101 899 HE1 TYR 117 HE1 TYR 117 -2.391 14.407 -2.262 900 HE2 TYR 117 HE2 TYR 117 1.231 16.699 -1.903 901 HH TYR 117 HH TYR 117 -1.883 16.905 -2.858 902 H TYR 118 H TYR 118 0.797 10.093 2.270 903 HA TYR 118 HA TYR 118 1.448 10.697 5.132 904 HB2 TYR 118 HB2 TYR 118 0.700 8.014 3.952 905 HB3 TYR 118 HB3 TYR 118 1.199 8.292 5.603 906 HD1 TYR 118 HD1 TYR 118 -1.563 9.001 3.141 907 HD2 TYR 118 HD2 TYR 118 -0.376 8.881 7.296 908 HE1 TYR 118 HE1 TYR 118 -3.888 9.214 3.808 909 HE2 TYR 118 HE2 TYR 118 -2.736 9.253 7.966 910 HH TYR 118 HH TYR 118 -5.316 10.116 6.054 911 H ARG 119 H ARG 119 3.475 9.798 5.819 912 HA ARG 119 HA ARG 119 5.385 9.432 3.578 913 HB2 ARG 119 HB2 ARG 119 5.819 11.259 5.060 914 HB3 ARG 119 HB3 ARG 119 5.747 10.227 6.496 915 HG2 ARG 119 HG2 ARG 119 7.717 9.559 4.311 916 HG3 ARG 119 HG3 ARG 119 8.051 10.993 5.288 917 HD2 ARG 119 HD2 ARG 119 7.524 8.265 6.506 918 HD3 ARG 119 HD3 ARG 119 9.123 8.827 6.069 919 HE ARG 119 HE ARG 119 7.301 10.211 8.025 920 HH11 ARG 119 HH11 ARG 119 10.691 9.234 7.284 921 HH12 ARG 119 HH12 ARG 119 11.207 9.452 8.890 922 HH21 ARG 119 HH21 ARG 119 8.113 10.641 10.138 923 HH22 ARG 119 HH22 ARG 119 9.745 10.166 10.513 924 H ALA 120 H ALA 120 6.274 7.544 3.198 925 HA ALA 120 HA ALA 120 5.788 5.308 5.088 926 HB1 ALA 120 HB1 ALA 120 5.797 3.791 3.184 927 HB2 ALA 120 HB2 ALA 120 4.537 4.970 3.002 928 HB3 ALA 120 HB3 ALA 120 6.031 5.162 2.068 929 H VAL 121 H VAL 121 7.453 3.583 4.960 930 HA VAL 121 HA VAL 121 10.157 4.389 4.000 931 HB VAL 121 HB VAL 121 9.883 4.712 6.341 932 HG11 VAL 121 HG11 VAL 121 9.451 3.110 7.975 933 HG12 VAL 121 HG12 VAL 121 8.116 3.629 6.960 934 HG13 VAL 121 HG13 VAL 121 8.857 1.997 6.706 935 HG21 VAL 121 HG21 VAL 121 11.770 3.591 7.206 936 HG22 VAL 121 HG22 VAL 121 11.598 2.256 6.046 937 HG23 VAL 121 HG23 VAL 121 12.070 3.888 5.496 938 H LEU 122 H LEU 122 11.473 2.828 3.194 939 HA LEU 122 HA LEU 122 10.277 0.606 1.898 940 HB2 LEU 122 HB2 LEU 122 12.271 2.032 1.175 941 HB3 LEU 122 HB3 LEU 122 13.242 1.186 2.391 942 HG LEU 122 HG LEU 122 12.791 -0.929 1.271 943 HD11 LEU 122 HD11 LEU 122 11.200 0.786 -0.653 944 HD12 LEU 122 HD12 LEU 122 10.646 -0.674 0.202 945 HD13 LEU 122 HD13 LEU 122 11.790 -0.805 -1.132 946 HD21 LEU 122 HD21 LEU 122 13.786 1.092 -0.783 947 HD22 LEU 122 HD22 LEU 122 14.078 -0.647 -0.799 948 HD23 LEU 122 HD23 LEU 122 14.770 0.379 0.480 949 H ILE 123 H ILE 123 9.825 -1.444 2.739 950 HA ILE 123 HA ILE 123 10.572 -1.930 5.550 951 HB ILE 123 HB ILE 123 8.737 -3.307 3.550 952 HG12 ILE 123 HG12 ILE 123 8.016 -2.045 6.213 953 HG13 ILE 123 HG13 ILE 123 8.202 -1.033 4.780 954 HG21 ILE 123 HG21 ILE 123 9.226 -4.052 6.472 955 HG22 ILE 123 HG22 ILE 123 7.946 -4.729 5.460 956 HG23 ILE 123 HG23 ILE 123 9.619 -5.061 5.055 957 HD11 ILE 123 HD11 ILE 123 6.379 -3.452 4.732 958 HD12 ILE 123 HD12 ILE 123 5.825 -1.835 5.192 959 HD13 ILE 123 HD13 ILE 123 6.527 -2.096 3.600 960 H LYS 124 H LYS 124 10.845 -3.490 2.393 961 HA LYS 124 HA LYS 124 12.283 -5.780 3.032 962 HB2 LYS 124 HB2 LYS 124 12.901 -5.619 0.642 963 HB3 LYS 124 HB3 LYS 124 11.190 -5.386 0.902 964 HG2 LYS 124 HG2 LYS 124 11.216 -3.260 0.124 965 HG3 LYS 124 HG3 LYS 124 12.766 -2.896 0.877 966 HD2 LYS 124 HD2 LYS 124 12.571 -4.572 -1.601 967 HD3 LYS 124 HD3 LYS 124 12.766 -2.796 -1.608 968 HE2 LYS 124 HE2 LYS 124 14.829 -2.905 -0.378 969 HE3 LYS 124 HE3 LYS 124 14.679 -4.657 -0.213 970 HZ1 LYS 124 HZ1 LYS 124 16.155 -4.111 -2.016 971 HZ2 LYS 124 HZ2 LYS 124 15.014 -3.219 -2.789 972 HZ3 LYS 124 HZ3 LYS 124 14.787 -4.811 -2.655 973 H ASN 125 H ASN 125 13.381 -2.521 3.071 974 HA ASN 125 HA ASN 125 16.206 -2.841 2.631 975 HB2 ASN 125 HB2 ASN 125 14.833 -0.742 2.360 976 HB3 ASN 125 HB3 ASN 125 14.595 -0.700 4.113 977 HD21 ASN 125 HD21 ASN 125 15.883 1.050 4.872 978 HD22 ASN 125 HD22 ASN 125 17.445 1.378 4.213 979 H GLU 126 H GLU 126 14.034 -3.123 5.420 980 HA GLU 126 HA GLU 126 16.337 -3.395 7.242 981 HB2 GLU 126 HB2 GLU 126 14.852 -2.786 9.030 982 HB3 GLU 126 HB3 GLU 126 14.957 -1.497 7.835 983 HG2 GLU 126 HG2 GLU 126 12.752 -2.058 6.958 984 HG3 GLU 126 HG3 GLU 126 12.637 -3.468 8.029 985 H LYS 127 H LYS 127 15.693 -4.847 9.117 986 HA LYS 127 HA LYS 127 14.113 -7.207 8.265 987 HB2 LYS 127 HB2 LYS 127 16.999 -7.267 9.258 988 HB3 LYS 127 HB3 LYS 127 15.906 -8.661 9.284 989 HG2 LYS 127 HG2 LYS 127 15.512 -8.290 6.793 990 HG3 LYS 127 HG3 LYS 127 16.830 -7.114 6.830 991 HD2 LYS 127 HD2 LYS 127 18.386 -8.912 7.583 992 HD3 LYS 127 HD3 LYS 127 17.036 -10.077 7.525 993 HE2 LYS 127 HE2 LYS 127 16.698 -9.512 5.099 994 HE3 LYS 127 HE3 LYS 127 18.103 -8.431 5.190 995 HZ1 LYS 127 HZ1 LYS 127 19.450 -10.398 5.727 996 HZ2 LYS 127 HZ2 LYS 127 18.719 -10.515 4.265 997 HZ3 LYS 127 HZ3 LYS 127 18.116 -11.357 5.521 998 H GLU 128 H GLU 128 12.589 -5.869 9.424 999 HA GLU 128 HA GLU 128 12.530 -6.387 12.238 1000 HB2 GLU 128 HB2 GLU 128 13.865 -4.260 12.027 1001 HB3 GLU 128 HB3 GLU 128 12.504 -3.505 11.200 1002 HG2 GLU 128 HG2 GLU 128 11.252 -3.316 13.138 1003 HG3 GLU 128 HG3 GLU 128 11.897 -4.806 13.835 Start of MODEL 2 1 H1 GLY 1 H GLY 1 42.998 -11.786 16.181 2 HA2 GLY 1 HA2 GLY 1 43.822 -9.639 14.292 3 HA3 GLY 1 HA3 GLY 1 43.477 -11.318 13.802 4 H SER 2 H SER 2 41.906 -9.626 12.417 5 HA SER 2 HA SER 2 39.248 -9.928 13.597 6 HB2 SER 2 HB2 SER 2 38.866 -7.503 12.708 7 HB3 SER 2 HB3 SER 2 39.661 -7.708 14.277 8 HG SER 2 HG SER 2 40.872 -7.079 11.794 9 H THR 3 H THR 3 37.770 -10.436 11.891 10 HA THR 3 HA THR 3 38.650 -10.125 9.103 11 HB THR 3 HB THR 3 37.809 -12.557 8.810 12 HG1 THR 3 HG1 THR 3 37.019 -12.790 10.939 13 HG21 THR 3 HG21 THR 3 40.442 -12.238 10.313 14 HG22 THR 3 HG22 THR 3 40.213 -11.922 8.578 15 HG23 THR 3 HG23 THR 3 39.979 -13.557 9.224 16 H MET 4 H MET 4 36.901 -9.523 7.846 17 HA MET 4 HA MET 4 34.175 -10.181 8.476 18 HB2 MET 4 HB2 MET 4 34.650 -8.175 9.936 19 HB3 MET 4 HB3 MET 4 35.145 -7.271 8.500 20 HG2 MET 4 HG2 MET 4 32.872 -7.408 7.598 21 HG3 MET 4 HG3 MET 4 32.377 -8.474 8.924 22 HE1 MET 4 HE1 MET 4 30.387 -5.153 9.599 23 HE2 MET 4 HE2 MET 4 30.813 -5.814 8.008 24 HE3 MET 4 HE3 MET 4 30.271 -6.902 9.309 25 H HIS 5 H HIS 5 32.850 -9.312 6.462 26 HA HIS 5 HA HIS 5 34.546 -8.653 4.156 27 HB2 HIS 5 HB2 HIS 5 34.278 -11.188 4.315 28 HB3 HIS 5 HB3 HIS 5 32.537 -10.950 4.127 29 HD1 HIS 5 HD1 HIS 5 31.727 -10.134 1.601 30 HD2 HIS 5 HD2 HIS 5 35.871 -10.741 2.194 31 HE1 HIS 5 HE1 HIS 5 32.815 -10.088 -0.704 32 H PHE 6 H PHE 6 33.193 -7.918 2.364 33 HA PHE 6 HA PHE 6 30.978 -6.237 3.282 34 HB2 PHE 6 HB2 PHE 6 32.480 -6.553 0.651 35 HB3 PHE 6 HB3 PHE 6 31.080 -5.507 0.820 36 HD1 PHE 6 HD2 PHE 6 31.080 -3.527 2.295 37 HD2 PHE 6 HD1 PHE 6 34.646 -5.874 1.645 38 HE1 PHE 6 HE2 PHE 6 32.455 -1.707 3.259 39 HE2 PHE 6 HE1 PHE 6 36.017 -4.049 2.617 40 HZ PHE 6 HZ PHE 6 34.925 -1.965 3.430 41 H THR 7 H THR 7 29.166 -6.201 1.304 42 HA THR 7 HA THR 7 28.301 -8.948 0.763 43 HB THR 7 HB THR 7 27.382 -8.224 2.967 44 HG1 THR 7 HG1 THR 7 25.246 -8.793 2.390 45 HG21 THR 7 HG21 THR 7 25.682 -6.510 3.133 46 HG22 THR 7 HG22 THR 7 25.750 -6.201 1.386 47 HG23 THR 7 HG23 THR 7 27.119 -5.774 2.428 48 H ASP 8 H ASP 8 25.955 -8.369 -0.434 49 HA ASP 8 HA ASP 8 26.645 -6.464 -2.643 50 HB2 ASP 8 HB2 ASP 8 25.549 -9.301 -2.787 51 HB3 ASP 8 HB3 ASP 8 25.438 -8.137 -4.112 52 H ASP 9 H ASP 9 24.593 -5.954 -3.953 53 HA ASP 9 HA ASP 9 22.651 -4.835 -2.154 54 HB2 ASP 9 HB2 ASP 9 22.820 -5.056 -5.172 55 HB3 ASP 9 HB3 ASP 9 21.360 -4.455 -4.375 56 H ASN 10 H ASN 10 20.911 -5.765 -1.275 57 HA ASN 10 HA ASN 10 20.278 -8.541 -1.727 58 HB2 ASN 10 HB2 ASN 10 18.953 -6.284 -0.186 59 HB3 ASN 10 HB3 ASN 10 18.210 -7.856 -0.339 60 HD21 ASN 10 HD21 ASN 10 20.499 -6.147 1.479 61 HD22 ASN 10 HD22 ASN 10 20.843 -7.567 2.483 62 H GLU 11 H GLU 11 18.807 -9.380 -3.181 63 HA GLU 11 HA GLU 11 16.985 -7.500 -4.642 64 HB2 GLU 11 HB2 GLU 11 18.632 -9.762 -5.793 65 HB3 GLU 11 HB3 GLU 11 17.355 -8.868 -6.648 66 HG2 GLU 11 HG2 GLU 11 18.621 -6.733 -6.178 67 HG3 GLU 11 HG3 GLU 11 19.960 -7.710 -5.582 68 H ASN 12 H ASN 12 16.204 -8.641 -2.437 69 HA ASN 12 HA ASN 12 14.220 -10.723 -3.230 70 HB2 ASN 12 HB2 ASN 12 14.230 -11.535 -0.917 71 HB3 ASN 12 HB3 ASN 12 15.710 -11.870 -1.806 72 HD21 ASN 12 HD21 ASN 12 16.213 -12.284 0.593 73 HD22 ASN 12 HD22 ASN 12 17.061 -10.966 1.398 74 H ASP 13 H ASP 13 13.167 -8.779 -3.909 75 HA ASP 13 HA ASP 13 12.143 -6.841 -2.011 76 HB2 ASP 13 HB2 ASP 13 10.626 -6.278 -4.014 77 HB3 ASP 13 HB3 ASP 13 12.355 -6.057 -4.211 78 H THR 14 H THR 14 9.536 -6.606 -1.974 79 HA THR 14 HA THR 14 8.666 -9.004 -0.630 80 HB THR 14 HB THR 14 7.805 -6.708 -0.039 81 HG1 THR 14 HG1 THR 14 5.511 -7.701 0.036 82 HG21 THR 14 HG21 THR 14 5.833 -5.851 -1.285 83 HG22 THR 14 HG22 THR 14 6.125 -7.008 -2.564 84 HG23 THR 14 HG23 THR 14 7.327 -5.752 -2.234 85 H SER 15 H SER 15 8.195 -7.618 -3.851 86 HA SER 15 HA SER 15 7.205 -8.290 -5.719 87 HB2 SER 15 HB2 SER 15 7.626 -10.954 -6.075 88 HB3 SER 15 HB3 SER 15 8.713 -9.653 -6.500 89 HG SER 15 HG SER 15 9.924 -9.983 -4.791 90 H GLU 16 H GLU 16 5.255 -7.637 -4.609 91 HA GLU 16 HA GLU 16 3.253 -9.737 -4.792 92 HB2 GLU 16 HB2 GLU 16 2.450 -9.666 -2.655 93 HB3 GLU 16 HB3 GLU 16 4.175 -9.561 -2.384 94 HG2 GLU 16 HG2 GLU 16 3.998 -7.114 -2.049 95 HG3 GLU 16 HG3 GLU 16 2.245 -7.239 -2.176 96 H THR 17 H THR 17 1.039 -8.180 -4.080 97 HA THR 17 HA THR 17 1.236 -5.749 -5.796 98 HB THR 17 HB THR 17 0.432 -7.551 -7.229 99 HG1 THR 17 HG1 THR 17 -0.525 -5.758 -7.803 100 HG21 THR 17 HG21 THR 17 -1.839 -7.879 -5.241 101 HG22 THR 17 HG22 THR 17 -0.584 -9.091 -5.622 102 HG23 THR 17 HG23 THR 17 -1.770 -8.601 -6.848 103 H MET 18 H MET 18 -0.721 -4.290 -5.491 104 HA MET 18 HA MET 18 -1.079 -3.739 -2.771 105 HB2 MET 18 HB2 MET 18 -2.644 -2.940 -5.250 106 HB3 MET 18 HB3 MET 18 -3.101 -2.340 -3.655 107 HG2 MET 18 HG2 MET 18 -0.217 -2.083 -4.365 108 HG3 MET 18 HG3 MET 18 -1.327 -1.091 -5.294 109 HE1 MET 18 HE1 MET 18 -2.378 -1.944 -1.593 110 HE2 MET 18 HE2 MET 18 -0.603 -2.107 -1.498 111 HE3 MET 18 HE3 MET 18 -1.439 -0.784 -0.669 112 H GLU 19 H GLU 19 -3.188 -5.607 -5.005 113 HA GLU 19 HA GLU 19 -5.375 -6.013 -3.255 114 HB2 GLU 19 HB2 GLU 19 -4.231 -7.780 -5.465 115 HB3 GLU 19 HB3 GLU 19 -5.764 -8.082 -4.636 116 HG2 GLU 19 HG2 GLU 19 -6.611 -5.881 -5.383 117 HG3 GLU 19 HG3 GLU 19 -5.092 -5.593 -6.254 118 H SER 20 H SER 20 -2.308 -7.847 -3.575 119 HA SER 20 HA SER 20 -3.016 -9.965 -1.865 120 HB2 SER 20 HB2 SER 20 -0.751 -10.628 -2.046 121 HB3 SER 20 HB3 SER 20 -1.250 -9.992 -3.599 122 HG SER 20 HG SER 20 -0.241 -7.906 -2.647 123 H LEU 21 H LEU 21 -1.939 -6.706 -1.215 124 HA LEU 21 HA LEU 21 -1.103 -7.247 1.545 125 HB2 LEU 21 HB2 LEU 21 -2.107 -4.609 0.283 126 HB3 LEU 21 HB3 LEU 21 -1.332 -4.778 1.818 127 HG LEU 21 HG LEU 21 -0.148 -4.875 -0.938 128 HD11 LEU 21 HD11 LEU 21 -0.291 -2.841 0.527 129 HD12 LEU 21 HD12 LEU 21 1.370 -3.278 0.041 130 HD13 LEU 21 HD13 LEU 21 0.786 -3.629 1.683 131 HD21 LEU 21 HD21 LEU 21 1.064 -6.175 1.529 132 HD22 LEU 21 HD22 LEU 21 1.996 -5.683 0.096 133 HD23 LEU 21 HD23 LEU 21 0.726 -6.909 -0.059 134 H ILE 22 H ILE 22 -3.973 -5.858 -0.098 135 HA ILE 22 HA ILE 22 -5.472 -5.578 2.276 136 HB ILE 22 HB ILE 22 -6.591 -6.043 -0.512 137 HG12 ILE 22 HG12 ILE 22 -6.088 -3.306 0.753 138 HG13 ILE 22 HG13 ILE 22 -4.874 -4.049 -0.274 139 HG21 ILE 22 HG21 ILE 22 -8.192 -6.259 1.301 140 HG22 ILE 22 HG22 ILE 22 -7.570 -4.812 2.105 141 HG23 ILE 22 HG23 ILE 22 -8.443 -4.674 0.561 142 HD11 ILE 22 HD11 ILE 22 -7.698 -3.359 -1.150 143 HD12 ILE 22 HD12 ILE 22 -6.192 -2.556 -1.610 144 HD13 ILE 22 HD13 ILE 22 -6.502 -4.217 -2.139 145 H ASP 23 H ASP 23 -5.127 -8.334 0.084 146 HA ASP 23 HA ASP 23 -7.065 -10.130 0.963 147 HB2 ASP 23 HB2 ASP 23 -4.228 -10.477 0.003 148 HB3 ASP 23 HB3 ASP 23 -4.978 -11.851 0.758 149 H LYS 24 H LYS 24 -4.026 -9.237 2.596 150 HA LYS 24 HA LYS 24 -4.615 -11.125 4.849 151 HB2 LYS 24 HB2 LYS 24 -2.401 -11.364 5.069 152 HB3 LYS 24 HB3 LYS 24 -2.321 -10.717 3.465 153 HG2 LYS 24 HG2 LYS 24 -0.775 -9.371 4.408 154 HG3 LYS 24 HG3 LYS 24 -2.131 -8.367 4.734 155 HD2 LYS 24 HD2 LYS 24 -1.817 -10.246 6.976 156 HD3 LYS 24 HD3 LYS 24 -0.267 -9.528 6.554 157 HE2 LYS 24 HE2 LYS 24 -1.562 -7.240 6.681 158 HE3 LYS 24 HE3 LYS 24 -2.753 -8.165 7.593 159 HZ1 LYS 24 HZ1 LYS 24 0.106 -7.946 8.366 160 HZ2 LYS 24 HZ2 LYS 24 -1.105 -8.648 9.225 161 HZ3 LYS 24 HZ3 LYS 24 -1.089 -7.030 8.953 162 H GLY 25 H GLY 25 -4.838 -7.761 4.089 163 HA2 GLY 25 HA2 GLY 25 -5.956 -6.232 5.540 164 HA3 GLY 25 HA3 GLY 25 -5.416 -7.141 6.953 165 H LYS 26 H LYS 26 -3.165 -6.408 4.317 166 HA LYS 26 HA LYS 26 -1.420 -4.926 6.196 167 HB2 LYS 26 HB2 LYS 26 -1.032 -6.147 3.493 168 HB3 LYS 26 HB3 LYS 26 -0.059 -4.728 3.883 169 HG2 LYS 26 HG2 LYS 26 0.691 -5.902 5.954 170 HG3 LYS 26 HG3 LYS 26 -0.105 -7.334 5.383 171 HD2 LYS 26 HD2 LYS 26 2.004 -6.018 3.671 172 HD3 LYS 26 HD3 LYS 26 2.435 -7.083 5.004 173 HE2 LYS 26 HE2 LYS 26 1.141 -8.932 4.028 174 HE3 LYS 26 HE3 LYS 26 0.684 -7.917 2.658 175 HZ1 LYS 26 HZ1 LYS 26 3.409 -8.941 3.285 176 HZ2 LYS 26 HZ2 LYS 26 3.133 -7.846 2.097 177 HZ3 LYS 26 HZ3 LYS 26 2.472 -9.264 1.993 178 H LEU 27 H LEU 27 -3.445 -3.374 6.375 179 HA LEU 27 HA LEU 27 -3.568 -1.330 4.206 180 HB2 LEU 27 HB2 LEU 27 -4.985 -1.362 6.900 181 HB3 LEU 27 HB3 LEU 27 -5.196 -0.188 5.623 182 HG LEU 27 HG LEU 27 -7.088 -1.464 5.481 183 HD11 LEU 27 HD11 LEU 27 -7.029 -2.661 3.351 184 HD12 LEU 27 HD12 LEU 27 -5.260 -2.755 3.400 185 HD13 LEU 27 HD13 LEU 27 -6.073 -1.178 3.243 186 HD21 LEU 27 HD21 LEU 27 -6.220 -3.373 6.909 187 HD22 LEU 27 HD22 LEU 27 -5.538 -4.038 5.405 188 HD23 LEU 27 HD23 LEU 27 -7.287 -3.834 5.571 189 H ASP 28 H ASP 28 -1.454 -2.056 6.530 190 HA ASP 28 HA ASP 28 -0.844 0.642 7.571 191 HB2 ASP 28 HB2 ASP 28 0.384 -2.093 8.142 192 HB3 ASP 28 HB3 ASP 28 0.698 -0.604 9.040 193 H GLN 29 H GLN 29 -0.117 -1.159 4.806 194 HA GLN 29 HA GLN 29 2.297 0.369 4.233 195 HB2 GLN 29 HB2 GLN 29 3.575 -1.732 3.620 196 HB3 GLN 29 HB3 GLN 29 3.356 -1.389 5.323 197 HG2 GLN 29 HG2 GLN 29 1.283 -3.083 5.012 198 HG3 GLN 29 HG3 GLN 29 2.322 -3.670 3.718 199 HE21 GLN 29 HE21 GLN 29 4.889 -3.369 4.904 200 HE22 GLN 29 HE22 GLN 29 5.011 -4.270 6.381 201 H VAL 30 H VAL 30 2.952 -0.058 1.897 202 HA VAL 30 HA VAL 30 0.736 -1.038 0.168 203 HB VAL 30 HB VAL 30 0.830 0.933 -1.245 204 HG11 VAL 30 HG11 VAL 30 0.135 1.842 1.559 205 HG12 VAL 30 HG12 VAL 30 -0.507 2.413 -0.005 206 HG13 VAL 30 HG13 VAL 30 -0.888 0.795 0.560 207 HG21 VAL 30 HG21 VAL 30 1.921 2.897 -0.759 208 HG22 VAL 30 HG22 VAL 30 2.372 2.410 0.912 209 HG23 VAL 30 HG23 VAL 30 3.157 1.702 -0.519 210 H VAL 31 H VAL 31 1.459 -1.109 -2.257 211 HA VAL 31 HA VAL 31 4.362 -1.392 -2.361 212 HB VAL 31 HB VAL 31 4.412 -3.234 -3.603 213 HG11 VAL 31 HG11 VAL 31 3.217 -5.003 -2.769 214 HG12 VAL 31 HG12 VAL 31 3.564 -3.843 -1.503 215 HG13 VAL 31 HG13 VAL 31 1.899 -3.947 -2.169 216 HG21 VAL 31 HG21 VAL 31 1.676 -2.955 -4.720 217 HG22 VAL 31 HG22 VAL 31 3.270 -2.741 -5.527 218 HG23 VAL 31 HG23 VAL 31 2.789 -4.330 -4.962 219 H TYR 32 H TYR 32 5.359 -0.913 -4.305 220 HA TYR 32 HA TYR 32 4.020 0.221 -6.560 221 HB2 TYR 32 HB2 TYR 32 3.686 2.261 -5.265 222 HB3 TYR 32 HB3 TYR 32 5.300 2.081 -4.614 223 HD1 TYR 32 HD1 TYR 32 4.284 1.959 -8.230 224 HD2 TYR 32 HD2 TYR 32 6.486 4.036 -5.156 225 HE1 TYR 32 HE1 TYR 32 5.524 3.248 -9.955 226 HE2 TYR 32 HE2 TYR 32 7.735 5.269 -6.844 227 HH TYR 32 HH TYR 32 7.560 4.568 -10.354 228 H ASP 33 H ASP 33 5.499 0.009 -8.239 229 HA ASP 33 HA ASP 33 7.214 -0.827 -9.297 230 HB2 ASP 33 HB2 ASP 33 7.985 1.548 -7.810 231 HB3 ASP 33 HB3 ASP 33 9.359 0.480 -7.988 232 H ASP 34 H ASP 34 6.184 -2.430 -7.387 233 HA ASP 34 HA ASP 34 6.365 -4.503 -6.609 234 HB2 ASP 34 HB2 ASP 34 8.044 -4.614 -8.665 235 HB3 ASP 34 HB3 ASP 34 9.266 -4.780 -7.385 236 H GLN 35 H GLN 35 7.688 -2.055 -5.175 237 HA GLN 35 HA GLN 35 9.231 -3.505 -3.100 238 HB2 GLN 35 HB2 GLN 35 8.870 -0.521 -3.486 239 HB3 GLN 35 HB3 GLN 35 10.026 -1.331 -2.430 240 HG2 GLN 35 HG2 GLN 35 10.039 -0.962 -5.414 241 HG3 GLN 35 HG3 GLN 35 11.302 -0.629 -4.284 242 HE21 GLN 35 HE21 GLN 35 12.444 -2.398 -3.374 243 HE22 GLN 35 HE22 GLN 35 12.662 -3.881 -4.326 244 H LEU 36 H LEU 36 8.834 -2.820 -0.869 245 HA LEU 36 HA LEU 36 5.941 -2.283 -0.393 246 HB2 LEU 36 HB2 LEU 36 6.962 -4.606 0.069 247 HB3 LEU 36 HB3 LEU 36 7.820 -3.866 1.394 248 HG LEU 36 HG LEU 36 5.650 -3.290 2.474 249 HD11 LEU 36 HD11 LEU 36 4.341 -4.854 0.232 250 HD12 LEU 36 HD12 LEU 36 4.186 -3.104 0.469 251 HD13 LEU 36 HD13 LEU 36 3.542 -4.219 1.677 252 HD21 LEU 36 HD21 LEU 36 5.840 -6.174 1.514 253 HD22 LEU 36 HD22 LEU 36 5.048 -5.634 3.006 254 HD23 LEU 36 HD23 LEU 36 6.808 -5.481 2.841 255 H TYR 37 H TYR 37 5.502 -0.512 0.720 256 HA TYR 37 HA TYR 37 7.649 0.710 2.347 257 HB2 TYR 37 HB2 TYR 37 5.409 2.348 1.226 258 HB3 TYR 37 HB3 TYR 37 7.007 2.857 1.756 259 HD1 TYR 37 HD1 TYR 37 8.883 1.231 0.181 260 HD2 TYR 37 HD2 TYR 37 5.152 3.095 -0.914 261 HE1 TYR 37 HE1 TYR 37 9.602 1.274 -2.194 262 HE2 TYR 37 HE2 TYR 37 5.937 3.339 -3.183 263 HH TYR 37 HH TYR 37 7.860 1.331 -4.643 264 H HIS 38 H HIS 38 7.194 1.131 4.450 265 HA HIS 38 HA HIS 38 4.645 0.319 5.595 266 HB2 HIS 38 HB2 HIS 38 7.446 0.346 6.319 267 HB3 HIS 38 HB3 HIS 38 6.644 1.308 7.494 268 HD1 HIS 38 HD1 HIS 38 7.803 -1.622 8.220 269 HD2 HIS 38 HD2 HIS 38 3.793 -0.573 7.365 270 HE1 HIS 38 HE1 HIS 38 6.356 -3.449 9.211 271 H LEU 39 H LEU 39 3.109 1.725 6.258 272 HA LEU 39 HA LEU 39 3.519 4.598 5.883 273 HB2 LEU 39 HB2 LEU 39 1.144 3.116 7.058 274 HB3 LEU 39 HB3 LEU 39 1.182 4.788 6.484 275 HG LEU 39 HG LEU 39 1.598 2.288 4.775 276 HD11 LEU 39 HD11 LEU 39 -0.632 2.879 3.869 277 HD12 LEU 39 HD12 LEU 39 -0.755 4.157 5.107 278 HD13 LEU 39 HD13 LEU 39 -0.667 2.455 5.591 279 HD21 LEU 39 HD21 LEU 39 1.288 3.886 2.844 280 HD22 LEU 39 HD22 LEU 39 2.789 4.122 3.747 281 HD23 LEU 39 HD23 LEU 39 1.422 5.235 3.994 282 H LYS 40 H LYS 40 4.426 5.828 7.359 283 HA LYS 40 HA LYS 40 4.480 5.010 10.207 284 HB2 LYS 40 HB2 LYS 40 5.988 7.314 8.887 285 HB3 LYS 40 HB3 LYS 40 6.306 6.553 10.443 286 HG2 LYS 40 HG2 LYS 40 6.645 5.287 7.703 287 HG3 LYS 40 HG3 LYS 40 7.935 5.874 8.728 288 HD2 LYS 40 HD2 LYS 40 6.077 3.687 9.713 289 HD3 LYS 40 HD3 LYS 40 7.446 3.344 8.706 290 HE2 LYS 40 HE2 LYS 40 8.984 4.423 10.243 291 HE3 LYS 40 HE3 LYS 40 7.649 4.805 11.358 292 HZ1 LYS 40 HZ1 LYS 40 8.364 2.064 10.503 293 HZ2 LYS 40 HZ2 LYS 40 7.329 2.471 11.713 294 HZ3 LYS 40 HZ3 LYS 40 8.936 2.746 11.870 295 H GLU 41 H GLU 41 4.104 8.154 8.565 296 HA GLU 41 HA GLU 41 1.837 8.805 10.413 297 HB2 GLU 41 HB2 GLU 41 2.865 10.896 11.091 298 HB3 GLU 41 HB3 GLU 41 3.828 9.506 11.556 299 HG2 GLU 41 HG2 GLU 41 4.738 10.324 8.936 300 HG3 GLU 41 HG3 GLU 41 4.508 11.774 9.847 301 H LYS 42 H LYS 42 0.792 10.900 9.884 302 HA LYS 42 HA LYS 42 0.281 11.152 7.004 303 HB2 LYS 42 HB2 LYS 42 -1.392 11.023 9.089 304 HB3 LYS 42 HB3 LYS 42 -1.125 12.752 9.170 305 HG2 LYS 42 HG2 LYS 42 -2.062 11.196 6.737 306 HG3 LYS 42 HG3 LYS 42 -3.158 11.987 7.861 307 HD2 LYS 42 HD2 LYS 42 -1.052 13.429 6.273 308 HD3 LYS 42 HD3 LYS 42 -2.622 13.083 5.615 309 HE2 LYS 42 HE2 LYS 42 -3.674 14.457 7.390 310 HE3 LYS 42 HE3 LYS 42 -2.061 14.836 8.031 311 HZ1 LYS 42 HZ1 LYS 42 -3.057 15.471 5.310 312 HZ2 LYS 42 HZ2 LYS 42 -1.535 15.759 5.807 313 HZ3 LYS 42 HZ3 LYS 42 -2.819 16.550 6.517 314 H VAL 43 H VAL 43 0.966 12.924 5.821 315 HA VAL 43 HA VAL 43 2.344 15.166 7.230 316 HB VAL 43 HB VAL 43 4.076 15.147 5.563 317 HG11 VAL 43 HG11 VAL 43 3.810 12.356 6.738 318 HG12 VAL 43 HG12 VAL 43 5.302 13.240 6.308 319 HG13 VAL 43 HG13 VAL 43 4.309 13.796 7.653 320 HG21 VAL 43 HG21 VAL 43 2.968 14.268 3.607 321 HG22 VAL 43 HG22 VAL 43 4.378 13.276 3.997 322 HG23 VAL 43 HG23 VAL 43 2.752 12.676 4.387 323 H ASP 44 H ASP 44 2.864 16.888 5.309 324 HA ASP 44 HA ASP 44 0.167 17.579 4.237 325 HB2 ASP 44 HB2 ASP 44 1.479 19.174 5.869 326 HB3 ASP 44 HB3 ASP 44 2.522 19.467 4.509 327 H GLU 45 H GLU 45 0.331 18.983 2.257 328 HA GLU 45 HA GLU 45 1.726 17.582 0.114 329 HB2 GLU 45 HB2 GLU 45 0.469 19.081 -1.348 330 HB3 GLU 45 HB3 GLU 45 -0.584 18.289 -0.181 331 HG2 GLU 45 HG2 GLU 45 -0.453 20.404 1.252 332 HG3 GLU 45 HG3 GLU 45 0.393 21.183 -0.099 333 H ASP 46 H ASP 46 2.363 20.253 2.208 334 HA ASP 46 HA ASP 46 4.147 21.746 0.535 335 HB2 ASP 46 HB2 ASP 46 3.178 22.728 2.556 336 HB3 ASP 46 HB3 ASP 46 3.697 21.360 3.539 337 H LYS 47 H LYS 47 4.310 18.774 2.375 338 HA LYS 47 HA LYS 47 7.144 18.795 2.708 339 HB2 LYS 47 HB2 LYS 47 5.370 16.376 3.081 340 HB3 LYS 47 HB3 LYS 47 6.855 16.795 3.921 341 HG2 LYS 47 HG2 LYS 47 4.135 18.097 4.177 342 HG3 LYS 47 HG3 LYS 47 4.917 17.152 5.410 343 HD2 LYS 47 HD2 LYS 47 6.700 18.944 5.538 344 HD3 LYS 47 HD3 LYS 47 5.692 19.864 4.392 345 HE2 LYS 47 HE2 LYS 47 3.844 19.887 6.005 346 HE3 LYS 47 HE3 LYS 47 4.940 19.199 7.225 347 HZ1 LYS 47 HZ1 LYS 47 6.197 21.135 7.211 348 HZ2 LYS 47 HZ2 LYS 47 4.724 21.782 6.944 349 HZ3 LYS 47 HZ3 LYS 47 5.720 21.595 5.683 350 H LYS 48 H LYS 48 5.151 17.833 0.126 351 HA LYS 48 HA LYS 48 6.691 15.635 -0.813 352 HB2 LYS 48 HB2 LYS 48 5.497 15.701 -2.811 353 HB3 LYS 48 HB3 LYS 48 4.409 16.158 -1.510 354 HG2 LYS 48 HG2 LYS 48 4.798 18.589 -2.294 355 HG3 LYS 48 HG3 LYS 48 5.525 17.893 -3.732 356 HD2 LYS 48 HD2 LYS 48 3.593 16.955 -4.496 357 HD3 LYS 48 HD3 LYS 48 2.908 16.693 -2.921 358 HE2 LYS 48 HE2 LYS 48 1.621 18.285 -4.248 359 HE3 LYS 48 HE3 LYS 48 2.173 18.942 -2.693 360 HZ1 LYS 48 HZ1 LYS 48 2.404 20.495 -4.529 361 HZ2 LYS 48 HZ2 LYS 48 3.471 19.542 -5.284 362 HZ3 LYS 48 HZ3 LYS 48 3.859 20.194 -3.823 363 H GLY 49 H GLY 49 8.688 15.571 -1.407 364 HA2 GLY 49 HA2 GLY 49 10.235 17.936 -2.160 365 HA3 GLY 49 HA3 GLY 49 10.800 16.256 -2.168 366 H LYS 50 H LYS 50 8.749 15.172 -3.841 367 HA LYS 50 HA LYS 50 8.293 16.493 -6.291 368 HB2 LYS 50 HB2 LYS 50 9.920 15.148 -7.675 369 HB3 LYS 50 HB3 LYS 50 10.661 16.429 -6.724 370 HG2 LYS 50 HG2 LYS 50 11.323 14.675 -5.003 371 HG3 LYS 50 HG3 LYS 50 10.690 13.443 -6.123 372 HD2 LYS 50 HD2 LYS 50 12.299 14.433 -7.868 373 HD3 LYS 50 HD3 LYS 50 13.004 15.368 -6.571 374 HE2 LYS 50 HE2 LYS 50 12.819 12.317 -6.663 375 HE3 LYS 50 HE3 LYS 50 14.247 13.280 -7.055 376 HZ1 LYS 50 HZ1 LYS 50 14.085 14.179 -4.755 377 HZ2 LYS 50 HZ2 LYS 50 14.555 12.596 -4.884 378 HZ3 LYS 50 HZ3 LYS 50 13.022 12.968 -4.392 379 H VAL 51 H VAL 51 7.367 14.933 -7.879 380 HA VAL 51 HA VAL 51 6.071 12.579 -6.598 381 HB VAL 51 HB VAL 51 5.713 14.229 -9.094 382 HG11 VAL 51 HG11 VAL 51 4.430 11.479 -8.745 383 HG12 VAL 51 HG12 VAL 51 4.081 12.690 -10.004 384 HG13 VAL 51 HG13 VAL 51 5.644 11.897 -9.981 385 HG21 VAL 51 HG21 VAL 51 3.795 13.161 -7.007 386 HG22 VAL 51 HG22 VAL 51 4.564 14.777 -7.008 387 HG23 VAL 51 HG23 VAL 51 3.442 14.346 -8.281 388 H ILE 52 H ILE 52 6.355 10.503 -7.307 389 HA ILE 52 HA ILE 52 8.741 9.938 -9.011 390 HB ILE 52 HB ILE 52 9.373 8.142 -7.467 391 HG12 ILE 52 HG12 ILE 52 7.262 9.305 -5.583 392 HG13 ILE 52 HG13 ILE 52 7.251 7.704 -6.340 393 HG21 ILE 52 HG21 ILE 52 9.365 10.873 -6.102 394 HG22 ILE 52 HG22 ILE 52 10.499 9.530 -5.814 395 HG23 ILE 52 HG23 ILE 52 10.490 10.314 -7.370 396 HD11 ILE 52 HD11 ILE 52 7.996 7.312 -4.174 397 HD12 ILE 52 HD12 ILE 52 9.476 7.282 -5.143 398 HD13 ILE 52 HD13 ILE 52 9.079 8.720 -4.172 399 H GLY 53 H GLY 53 5.563 8.881 -7.740 400 HA2 GLY 53 HA2 GLY 53 5.128 7.336 -10.185 401 HA3 GLY 53 HA3 GLY 53 5.307 6.351 -8.720 402 H ALA 54 H ALA 54 2.850 5.990 -9.672 403 HA ALA 54 HA ALA 54 1.223 7.518 -7.862 404 HB1 ALA 54 HB1 ALA 54 0.518 7.357 -10.829 405 HB2 ALA 54 HB2 ALA 54 -0.423 8.202 -9.581 406 HB3 ALA 54 HB3 ALA 54 1.188 8.788 -10.066 407 H ILE 55 H ILE 55 0.200 5.858 -6.586 408 HA ILE 55 HA ILE 55 -0.255 3.295 -7.711 409 HB ILE 55 HB ILE 55 -1.532 4.576 -5.265 410 HG12 ILE 55 HG12 ILE 55 0.895 2.726 -5.279 411 HG13 ILE 55 HG13 ILE 55 1.029 4.482 -5.241 412 HG21 ILE 55 HG21 ILE 55 -1.295 1.683 -6.126 413 HG22 ILE 55 HG22 ILE 55 -1.832 2.226 -4.527 414 HG23 ILE 55 HG23 ILE 55 -2.772 2.678 -5.937 415 HD11 ILE 55 HD11 ILE 55 1.159 3.858 -2.984 416 HD12 ILE 55 HD12 ILE 55 -0.483 4.469 -3.177 417 HD13 ILE 55 HD13 ILE 55 -0.184 2.714 -3.100 418 H GLY 56 H GLY 56 -2.581 5.896 -6.829 419 HA2 GLY 56 HA2 GLY 56 -4.756 6.311 -7.502 420 HA3 GLY 56 HA3 GLY 56 -4.072 6.108 -9.110 421 H GLN 57 H GLN 57 -5.005 3.906 -6.430 422 HA GLN 57 HA GLN 57 -6.561 2.219 -8.360 423 HB2 GLN 57 HB2 GLN 57 -4.807 1.385 -5.987 424 HB3 GLN 57 HB3 GLN 57 -5.948 0.336 -6.767 425 HG2 GLN 57 HG2 GLN 57 -4.505 1.235 -8.950 426 HG3 GLN 57 HG3 GLN 57 -3.267 1.205 -7.694 427 HE21 GLN 57 HE21 GLN 57 -2.406 -0.915 -7.101 428 HE22 GLN 57 HE22 GLN 57 -3.134 -2.395 -7.664 429 H THR 58 H THR 58 -8.291 0.868 -7.185 430 HA THR 58 HA THR 58 -9.184 1.976 -4.657 431 HB THR 58 HB THR 58 -11.246 2.001 -6.889 432 HG1 THR 58 HG1 THR 58 -10.050 3.744 -7.484 433 HG21 THR 58 HG21 THR 58 -12.400 3.497 -5.230 434 HG22 THR 58 HG22 THR 58 -11.119 3.099 -4.054 435 HG23 THR 58 HG23 THR 58 -12.181 1.831 -4.684 436 H PHE 59 H PHE 59 -10.140 0.395 -3.432 437 HA PHE 59 HA PHE 59 -11.332 -1.983 -4.665 438 HB2 PHE 59 HB2 PHE 59 -9.170 -2.172 -2.547 439 HB3 PHE 59 HB3 PHE 59 -10.031 -3.517 -3.303 440 HD1 PHE 59 HD1 PHE 59 -9.706 -3.940 -5.811 441 HD2 PHE 59 HD2 PHE 59 -7.100 -1.442 -3.457 442 HE1 PHE 59 HE1 PHE 59 -7.898 -4.232 -7.473 443 HE2 PHE 59 HE2 PHE 59 -5.288 -1.769 -5.090 444 HZ PHE 59 HZ PHE 59 -5.681 -3.186 -7.120 445 H PHE 60 H PHE 60 -12.371 -3.280 -2.667 446 HA PHE 60 HA PHE 60 -13.147 -1.361 -0.506 447 HB2 PHE 60 HB2 PHE 60 -15.054 -3.205 -1.962 448 HB3 PHE 60 HB3 PHE 60 -15.436 -2.140 -0.629 449 HD1 PHE 60 HD1 PHE 60 -14.626 -2.341 -4.235 450 HD2 PHE 60 HD2 PHE 60 -15.760 0.270 -0.995 451 HE1 PHE 60 HE1 PHE 60 -15.345 -0.630 -5.850 452 HE2 PHE 60 HE2 PHE 60 -16.575 1.924 -2.599 453 HZ PHE 60 HZ PHE 60 -16.371 1.468 -5.090 454 H VAL 61 H VAL 61 -13.721 -2.374 1.559 455 HA VAL 61 HA VAL 61 -13.480 -5.280 1.613 456 HB VAL 61 HB VAL 61 -12.173 -5.323 3.637 457 HG11 VAL 61 HG11 VAL 61 -11.044 -5.533 1.396 458 HG12 VAL 61 HG12 VAL 61 -10.555 -3.822 1.614 459 HG13 VAL 61 HG13 VAL 61 -10.036 -5.072 2.772 460 HG21 VAL 61 HG21 VAL 61 -12.608 -3.222 4.528 461 HG22 VAL 61 HG22 VAL 61 -10.857 -3.356 4.331 462 HG23 VAL 61 HG23 VAL 61 -11.804 -2.360 3.189 463 H ASP 62 H ASP 62 -14.468 -6.272 3.439 464 HA ASP 62 HA ASP 62 -16.875 -4.875 4.348 465 HB2 ASP 62 HB2 ASP 62 -15.899 -7.648 5.207 466 HB3 ASP 62 HB3 ASP 62 -17.565 -7.068 5.144 467 H GLY 63 H GLY 63 -17.465 -5.721 6.761 468 HA2 GLY 63 HA2 GLY 63 -15.836 -4.208 8.546 469 HA3 GLY 63 HA3 GLY 63 -17.150 -5.312 8.998 470 H ASP 64 H ASP 64 -15.750 -7.478 7.431 471 HA ASP 64 HA ASP 64 -14.007 -8.545 9.530 472 HB2 ASP 64 HB2 ASP 64 -15.931 -9.780 8.388 473 HB3 ASP 64 HB3 ASP 64 -14.924 -9.839 6.940 474 H GLY 65 H GLY 65 -13.570 -6.498 6.938 475 HA2 GLY 65 HA2 GLY 65 -11.789 -5.719 5.848 476 HA3 GLY 65 HA3 GLY 65 -10.755 -6.738 6.861 477 H LYS 66 H LYS 66 -13.286 -8.179 4.776 478 HA LYS 66 HA LYS 66 -11.252 -9.751 3.396 479 HB2 LYS 66 HB2 LYS 66 -14.170 -9.918 3.983 480 HB3 LYS 66 HB3 LYS 66 -13.675 -10.524 2.398 481 HG2 LYS 66 HG2 LYS 66 -13.547 -12.314 4.085 482 HG3 LYS 66 HG3 LYS 66 -11.963 -11.953 3.398 483 HD2 LYS 66 HD2 LYS 66 -11.598 -10.464 5.553 484 HD3 LYS 66 HD3 LYS 66 -13.048 -11.260 6.135 485 HE2 LYS 66 HE2 LYS 66 -11.482 -12.708 6.954 486 HE3 LYS 66 HE3 LYS 66 -11.690 -13.416 5.334 487 HZ1 LYS 66 HZ1 LYS 66 -9.406 -13.199 5.772 488 HZ2 LYS 66 HZ2 LYS 66 -9.530 -11.621 6.240 489 HZ3 LYS 66 HZ3 LYS 66 -9.757 -12.071 4.648 490 H ARG 67 H ARG 67 -11.203 -9.809 1.043 491 HA ARG 67 HA ARG 67 -11.469 -7.090 -0.042 492 HB2 ARG 67 HB2 ARG 67 -9.629 -9.213 -0.370 493 HB3 ARG 67 HB3 ARG 67 -10.509 -9.184 -1.890 494 HG2 ARG 67 HG2 ARG 67 -9.128 -6.822 -0.636 495 HG3 ARG 67 HG3 ARG 67 -8.450 -7.837 -1.903 496 HD2 ARG 67 HD2 ARG 67 -10.862 -6.011 -2.043 497 HD3 ARG 67 HD3 ARG 67 -9.300 -5.819 -2.859 498 HE ARG 67 HE ARG 67 -11.629 -7.113 -3.796 499 HH11 ARG 67 HH11 ARG 67 -8.482 -8.622 -3.833 500 HH12 ARG 67 HH12 ARG 67 -8.117 -8.215 -5.484 501 HH21 ARG 67 HH21 ARG 67 -11.326 -6.956 -6.140 502 HH22 ARG 67 HH22 ARG 67 -9.853 -7.521 -6.825 503 H TRP 68 H TRP 68 -13.426 -6.500 -0.882 504 HA TRP 68 HA TRP 68 -15.449 -8.285 -1.626 505 HB2 TRP 68 HB2 TRP 68 -14.893 -5.393 -2.312 506 HB3 TRP 68 HB3 TRP 68 -16.232 -6.247 -3.044 507 HD1 TRP 68 HD1 TRP 68 -15.119 -5.620 0.630 508 HE1 TRP 68 HE1 TRP 68 -17.226 -5.287 2.043 509 HE3 TRP 68 HE3 TRP 68 -18.669 -6.587 -2.913 510 HZ2 TRP 68 HZ2 TRP 68 -20.030 -5.425 1.722 511 HZ3 TRP 68 HZ3 TRP 68 -21.067 -6.622 -2.280 512 HH2 TRP 68 HH2 TRP 68 -21.745 -6.063 0.051 513 H SER 69 H SER 69 -15.927 -9.378 -3.365 514 HA SER 69 HA SER 69 -14.128 -9.586 -5.655 515 HB2 SER 69 HB2 SER 69 -15.108 -11.593 -4.629 516 HB3 SER 69 HB3 SER 69 -16.746 -10.937 -4.820 517 HG SER 69 HG SER 69 -14.990 -12.021 -6.712 518 H GLU 70 H GLU 70 -14.756 -9.005 -7.800 519 HA GLU 70 HA GLU 70 -16.417 -6.728 -8.113 520 HB2 GLU 70 HB2 GLU 70 -15.477 -8.717 -10.218 521 HB3 GLU 70 HB3 GLU 70 -16.109 -7.087 -10.523 522 HG2 GLU 70 HG2 GLU 70 -14.234 -6.153 -9.116 523 HG3 GLU 70 HG3 GLU 70 -13.546 -7.780 -9.012 524 H GLU 71 H GLU 71 -17.203 -10.157 -8.091 525 HA GLU 71 HA GLU 71 -19.647 -10.049 -9.584 526 HB2 GLU 71 HB2 GLU 71 -18.747 -11.914 -7.339 527 HB3 GLU 71 HB3 GLU 71 -20.113 -12.186 -8.433 528 HG2 GLU 71 HG2 GLU 71 -18.528 -12.168 -10.373 529 HG3 GLU 71 HG3 GLU 71 -17.179 -11.973 -9.246 530 H GLU 72 H GLU 72 -18.770 -9.532 -6.196 531 HA GLU 72 HA GLU 72 -21.513 -9.227 -5.256 532 HB2 GLU 72 HB2 GLU 72 -18.794 -8.836 -3.954 533 HB3 GLU 72 HB3 GLU 72 -20.339 -8.729 -3.097 534 HG2 GLU 72 HG2 GLU 72 -20.915 -11.027 -3.654 535 HG3 GLU 72 HG3 GLU 72 -19.489 -11.210 -4.672 536 H LEU 73 H LEU 73 -18.881 -7.139 -6.342 537 HA LEU 73 HA LEU 73 -20.008 -4.667 -5.353 538 HB2 LEU 73 HB2 LEU 73 -18.077 -5.145 -7.647 539 HB3 LEU 73 HB3 LEU 73 -18.502 -3.565 -6.993 540 HG LEU 73 HG LEU 73 -17.071 -5.754 -5.451 541 HD11 LEU 73 HD11 LEU 73 -16.073 -3.080 -6.492 542 HD12 LEU 73 HD12 LEU 73 -15.699 -4.659 -7.203 543 HD13 LEU 73 HD13 LEU 73 -15.137 -4.280 -5.569 544 HD21 LEU 73 HD21 LEU 73 -17.866 -2.953 -4.621 545 HD22 LEU 73 HD22 LEU 73 -16.744 -3.994 -3.721 546 HD23 LEU 73 HD23 LEU 73 -18.426 -4.493 -3.898 547 H LYS 74 H LYS 74 -20.652 -6.597 -8.234 548 HA LYS 74 HA LYS 74 -21.971 -4.499 -9.676 549 HB2 LYS 74 HB2 LYS 74 -22.512 -6.089 -11.261 550 HB3 LYS 74 HB3 LYS 74 -21.115 -6.837 -10.496 551 HG2 LYS 74 HG2 LYS 74 -22.982 -7.983 -8.971 552 HG3 LYS 74 HG3 LYS 74 -24.056 -7.547 -10.291 553 HD2 LYS 74 HD2 LYS 74 -22.745 -8.918 -11.853 554 HD3 LYS 74 HD3 LYS 74 -21.529 -9.232 -10.594 555 HE2 LYS 74 HE2 LYS 74 -23.306 -10.259 -9.159 556 HE3 LYS 74 HE3 LYS 74 -24.478 -9.999 -10.467 557 HZ1 LYS 74 HZ1 LYS 74 -23.785 -12.197 -10.660 558 HZ2 LYS 74 HZ2 LYS 74 -22.201 -11.886 -10.443 559 HZ3 LYS 74 HZ3 LYS 74 -22.932 -11.446 -11.838 560 H GLU 75 H GLU 75 -23.013 -6.535 -6.986 561 HA GLU 75 HA GLU 75 -25.809 -6.370 -7.378 562 HB2 GLU 75 HB2 GLU 75 -24.259 -6.669 -4.763 563 HB3 GLU 75 HB3 GLU 75 -25.947 -7.072 -5.045 564 HG2 GLU 75 HG2 GLU 75 -25.135 -8.616 -6.925 565 HG3 GLU 75 HG3 GLU 75 -23.530 -8.432 -6.239 566 HA PRO 76 HA PRO 76 -26.717 -2.268 -6.014 567 HB2 PRO 76 HB2 PRO 76 -29.247 -2.444 -4.971 568 HB3 PRO 76 HB3 PRO 76 -28.886 -2.650 -6.709 569 HG2 PRO 76 HG2 PRO 76 -29.495 -4.757 -4.662 570 HG3 PRO 76 HG3 PRO 76 -29.903 -4.720 -6.396 571 HD2 PRO 76 HD2 PRO 76 -27.744 -6.054 -5.159 572 HD3 PRO 76 HD3 PRO 76 -27.912 -5.809 -6.908 573 H TYR 77 H TYR 77 -27.276 -0.892 -4.024 574 HA TYR 77 HA TYR 77 -26.083 -2.168 -1.630 575 HB2 TYR 77 HB2 TYR 77 -25.083 -0.085 -2.754 576 HB3 TYR 77 HB3 TYR 77 -26.435 0.807 -2.071 577 HD1 TYR 77 HD2 TYR 77 -26.746 0.779 0.501 578 HD2 TYR 77 HD1 TYR 77 -23.212 -0.746 -1.456 579 HE1 TYR 77 HE2 TYR 77 -25.570 0.695 2.670 580 HE2 TYR 77 HE1 TYR 77 -21.987 -0.659 0.710 581 HH TYR 77 HH TYR 77 -23.444 -0.758 3.595 582 H ILE 78 H ILE 78 -28.519 0.458 -2.175 583 HA ILE 78 HA ILE 78 -29.915 -0.077 0.211 584 HB ILE 78 HB ILE 78 -31.717 1.309 -0.749 585 HG12 ILE 78 HG12 ILE 78 -30.062 1.333 -3.323 586 HG13 ILE 78 HG13 ILE 78 -31.608 0.509 -3.107 587 HG21 ILE 78 HG21 ILE 78 -30.410 3.351 -0.831 588 HG22 ILE 78 HG22 ILE 78 -29.638 2.254 0.309 589 HG23 ILE 78 HG23 ILE 78 -28.947 2.471 -1.312 590 HD11 ILE 78 HD11 ILE 78 -31.147 3.513 -3.019 591 HD12 ILE 78 HD12 ILE 78 -32.004 2.581 -4.254 592 HD13 ILE 78 HD13 ILE 78 -32.690 2.715 -2.621 593 H SER 79 H SER 79 -31.887 -1.155 0.720 594 HA SER 79 HA SER 79 -33.241 -2.843 -1.181 595 HB2 SER 79 HB2 SER 79 -32.699 -4.933 0.117 596 HB3 SER 79 HB3 SER 79 -31.286 -4.254 -0.679 597 HG SER 79 HG SER 79 -30.672 -4.661 1.400 598 H ASN 80 H ASN 80 -34.711 -4.361 0.522 599 HA ASN 80 HA ASN 80 -36.411 -2.468 1.861 600 HB2 ASN 80 HB2 ASN 80 -36.305 -5.509 2.056 601 HB3 ASN 80 HB3 ASN 80 -37.523 -4.495 2.836 602 HD21 ASN 80 HD21 ASN 80 -37.694 -6.577 0.515 603 HD22 ASN 80 HD22 ASN 80 -38.585 -5.642 -0.681 604 H ASN 81 H ASN 81 -33.633 -4.417 2.961 605 HA ASN 81 HA ASN 81 -33.798 -3.094 5.576 606 HB2 ASN 81 HB2 ASN 81 -34.554 -5.277 6.205 607 HB3 ASN 81 HB3 ASN 81 -33.264 -6.050 5.235 608 HD21 ASN 81 HD21 ASN 81 -31.856 -6.937 6.845 609 HD22 ASN 81 HD22 ASN 81 -31.167 -5.932 8.100 610 HA PRO 82 HA PRO 82 -29.887 -2.530 3.261 611 HB2 PRO 82 HB2 PRO 82 -29.088 -0.223 4.521 612 HB3 PRO 82 HB3 PRO 82 -30.300 -0.257 3.194 613 HG2 PRO 82 HG2 PRO 82 -30.754 -0.157 6.189 614 HG3 PRO 82 HG3 PRO 82 -31.541 0.835 4.919 615 HD2 PRO 82 HD2 PRO 82 -32.689 -1.397 5.984 616 HD3 PRO 82 HD3 PRO 82 -32.928 -0.969 4.257 617 H ASP 83 H ASP 83 -30.522 -3.315 6.557 618 HA ASP 83 HA ASP 83 -27.726 -3.109 7.380 619 HB2 ASP 83 HB2 ASP 83 -29.968 -2.767 8.720 620 HB3 ASP 83 HB3 ASP 83 -29.860 -4.517 8.971 621 H GLU 84 H GLU 84 -29.645 -5.453 5.796 622 HA GLU 84 HA GLU 84 -28.118 -7.782 6.727 623 HB2 GLU 84 HB2 GLU 84 -30.380 -7.244 4.832 624 HB3 GLU 84 HB3 GLU 84 -29.379 -8.626 4.419 625 HG2 GLU 84 HG2 GLU 84 -30.501 -8.239 7.211 626 HG3 GLU 84 HG3 GLU 84 -31.390 -9.053 5.925 627 H ILE 85 H ILE 85 -27.424 -5.288 4.472 628 HA ILE 85 HA ILE 85 -25.664 -7.056 2.873 629 HB ILE 85 HB ILE 85 -25.249 -5.136 1.462 630 HG12 ILE 85 HG12 ILE 85 -27.634 -3.684 2.550 631 HG13 ILE 85 HG13 ILE 85 -26.125 -3.483 3.431 632 HG21 ILE 85 HG21 ILE 85 -28.180 -5.935 1.832 633 HG22 ILE 85 HG22 ILE 85 -27.518 -5.137 0.387 634 HG23 ILE 85 HG23 ILE 85 -26.957 -6.751 0.835 635 HD11 ILE 85 HD11 ILE 85 -24.971 -2.571 1.617 636 HD12 ILE 85 HD12 ILE 85 -26.190 -3.099 0.447 637 HD13 ILE 85 HD13 ILE 85 -26.579 -1.802 1.607 638 H ARG 86 H ARG 86 -23.556 -7.111 3.133 639 HA ARG 86 HA ARG 86 -22.525 -6.116 5.573 640 HB2 ARG 86 HB2 ARG 86 -21.663 -7.927 3.544 641 HB3 ARG 86 HB3 ARG 86 -20.333 -6.800 3.823 642 HG2 ARG 86 HG2 ARG 86 -20.332 -7.287 6.208 643 HG3 ARG 86 HG3 ARG 86 -21.828 -8.246 6.067 644 HD2 ARG 86 HD2 ARG 86 -20.698 -9.827 4.568 645 HD3 ARG 86 HD3 ARG 86 -19.207 -8.869 4.687 646 HE ARG 86 HE ARG 86 -20.100 -9.661 7.287 647 HH11 ARG 86 HH11 ARG 86 -18.569 -10.975 4.334 648 HH12 ARG 86 HH12 ARG 86 -17.656 -12.176 5.234 649 HH21 ARG 86 HH21 ARG 86 -18.920 -11.279 8.386 650 HH22 ARG 86 HH22 ARG 86 -17.918 -12.394 7.532 651 H GLU 87 H GLU 87 -20.943 -4.629 6.079 652 HA GLU 87 HA GLU 87 -21.215 -2.152 4.774 653 HB2 GLU 87 HB2 GLU 87 -19.400 -1.309 6.169 654 HB3 GLU 87 HB3 GLU 87 -20.623 -2.184 7.092 655 HG2 GLU 87 HG2 GLU 87 -19.085 -4.182 6.993 656 HG3 GLU 87 HG3 GLU 87 -17.843 -3.111 6.328 657 H LYS 88 H LYS 88 -19.570 -0.867 3.729 658 HA LYS 88 HA LYS 88 -17.537 -2.435 2.191 659 HB2 LYS 88 HB2 LYS 88 -19.746 -2.324 1.012 660 HB3 LYS 88 HB3 LYS 88 -19.637 -0.559 1.046 661 HG2 LYS 88 HG2 LYS 88 -17.444 -0.811 -0.198 662 HG3 LYS 88 HG3 LYS 88 -17.820 -2.522 -0.428 663 HD2 LYS 88 HD2 LYS 88 -19.969 -0.544 -1.182 664 HD3 LYS 88 HD3 LYS 88 -18.499 -0.509 -2.144 665 HE2 LYS 88 HE2 LYS 88 -20.134 -1.886 -3.195 666 HE3 LYS 88 HE3 LYS 88 -18.723 -2.814 -2.718 667 HZ1 LYS 88 HZ1 LYS 88 -21.165 -2.842 -0.995 668 HZ2 LYS 88 HZ2 LYS 88 -19.985 -3.967 -1.098 669 HZ3 LYS 88 HZ3 LYS 88 -21.047 -3.783 -2.308 670 H LYS 89 H LYS 89 -15.733 -1.477 3.028 671 HA LYS 89 HA LYS 89 -15.505 1.389 3.521 672 HB2 LYS 89 HB2 LYS 89 -13.567 -0.941 3.845 673 HB3 LYS 89 HB3 LYS 89 -13.301 0.689 4.439 674 HG2 LYS 89 HG2 LYS 89 -15.142 0.444 6.049 675 HG3 LYS 89 HG3 LYS 89 -15.585 -1.127 5.357 676 HD2 LYS 89 HD2 LYS 89 -13.252 -1.913 5.898 677 HD3 LYS 89 HD3 LYS 89 -13.022 -0.478 6.881 678 HE2 LYS 89 HE2 LYS 89 -15.440 -2.271 7.266 679 HE3 LYS 89 HE3 LYS 89 -13.869 -2.874 7.767 680 HZ1 LYS 89 HZ1 LYS 89 -13.605 -1.171 9.289 681 HZ2 LYS 89 HZ2 LYS 89 -15.124 -1.745 9.509 682 HZ3 LYS 89 HZ3 LYS 89 -14.907 -0.292 8.740 683 HA PRO 90 HA PRO 90 -13.727 1.411 -0.748 684 HB2 PRO 90 HB2 PRO 90 -13.866 4.090 -1.227 685 HB3 PRO 90 HB3 PRO 90 -15.308 3.040 -1.260 686 HG2 PRO 90 HG2 PRO 90 -14.366 4.805 0.974 687 HG3 PRO 90 HG3 PRO 90 -16.029 4.612 0.349 688 HD2 PRO 90 HD2 PRO 90 -15.094 3.264 2.599 689 HD3 PRO 90 HD3 PRO 90 -16.341 2.640 1.504 690 H LEU 91 H LEU 91 -11.619 1.070 -0.841 691 HA LEU 91 HA LEU 91 -9.672 2.697 0.752 692 HB2 LEU 91 HB2 LEU 91 -9.220 0.122 -0.794 693 HB3 LEU 91 HB3 LEU 91 -8.134 0.892 0.353 694 HG LEU 91 HG LEU 91 -10.762 -0.533 0.935 695 HD11 LEU 91 HD11 LEU 91 -9.224 -2.094 2.142 696 HD12 LEU 91 HD12 LEU 91 -7.846 -1.158 1.539 697 HD13 LEU 91 HD13 LEU 91 -8.896 -1.997 0.391 698 HD21 LEU 91 HD21 LEU 91 -8.875 0.667 3.008 699 HD22 LEU 91 HD22 LEU 91 -10.372 -0.218 3.298 700 HD23 LEU 91 HD23 LEU 91 -10.444 1.378 2.550 701 H ARG 92 H ARG 92 -9.408 4.613 -0.558 702 HA ARG 92 HA ARG 92 -8.847 4.231 -3.435 703 HB2 ARG 92 HB2 ARG 92 -9.617 6.577 -1.661 704 HB3 ARG 92 HB3 ARG 92 -8.958 6.798 -3.289 705 HG2 ARG 92 HG2 ARG 92 -10.706 5.387 -4.249 706 HG3 ARG 92 HG3 ARG 92 -11.438 5.133 -2.642 707 HD2 ARG 92 HD2 ARG 92 -11.905 7.475 -2.402 708 HD3 ARG 92 HD3 ARG 92 -10.882 7.879 -3.772 709 HE ARG 92 HE ARG 92 -13.645 7.083 -3.771 710 HH11 ARG 92 HH11 ARG 92 -10.729 6.818 -5.888 711 HH12 ARG 92 HH12 ARG 92 -11.684 6.952 -7.336 712 HH21 ARG 92 HH21 ARG 92 -14.789 7.050 -5.694 713 HH22 ARG 92 HH22 ARG 92 -13.975 6.938 -7.243 714 H TYR 93 H TYR 93 -6.804 3.921 -3.913 715 HA TYR 93 HA TYR 93 -4.613 4.955 -2.263 716 HB2 TYR 93 HB2 TYR 93 -4.643 3.236 -4.749 717 HB3 TYR 93 HB3 TYR 93 -3.251 3.656 -3.736 718 HD1 TYR 93 HD2 TYR 93 -6.593 1.841 -3.595 719 HD2 TYR 93 HD1 TYR 93 -2.656 2.317 -1.886 720 HE1 TYR 93 HE2 TYR 93 -7.124 0.165 -1.877 721 HE2 TYR 93 HE1 TYR 93 -3.215 0.701 -0.134 722 HH TYR 93 HH TYR 93 -5.214 -0.144 0.993 723 H GLY 94 H GLY 94 -3.069 6.560 -2.988 724 HA2 GLY 94 HA2 GLY 94 -3.850 8.372 -5.013 725 HA3 GLY 94 HA3 GLY 94 -3.182 8.567 -3.423 726 H LYS 95 H LYS 95 -2.006 9.922 -5.472 727 HA LYS 95 HA LYS 95 -0.028 8.445 -6.902 728 HB2 LYS 95 HB2 LYS 95 -0.947 10.579 -7.697 729 HB3 LYS 95 HB3 LYS 95 -0.333 11.398 -6.259 730 HG2 LYS 95 HG2 LYS 95 1.963 11.063 -6.997 731 HG3 LYS 95 HG3 LYS 95 1.427 10.064 -8.365 732 HD2 LYS 95 HD2 LYS 95 0.374 12.893 -8.017 733 HD3 LYS 95 HD3 LYS 95 2.021 12.675 -8.555 734 HE2 LYS 95 HE2 LYS 95 0.071 11.030 -10.071 735 HE3 LYS 95 HE3 LYS 95 -0.173 12.787 -10.171 736 HZ1 LYS 95 HZ1 LYS 95 2.076 13.065 -10.851 737 HZ2 LYS 95 HZ2 LYS 95 1.301 12.102 -11.911 738 HZ3 LYS 95 HZ3 LYS 95 2.338 11.408 -10.870 739 H VAL 96 H VAL 96 2.463 8.906 -6.493 740 HA VAL 96 HA VAL 96 2.993 8.993 -3.589 741 HB VAL 96 HB VAL 96 4.404 7.345 -5.714 742 HG11 VAL 96 HG11 VAL 96 5.865 7.941 -3.774 743 HG12 VAL 96 HG12 VAL 96 4.661 7.246 -2.678 744 HG13 VAL 96 HG13 VAL 96 5.510 6.217 -3.853 745 HG21 VAL 96 HG21 VAL 96 2.415 6.495 -3.547 746 HG22 VAL 96 HG22 VAL 96 2.164 6.422 -5.308 747 HG23 VAL 96 HG23 VAL 96 3.372 5.385 -4.547 748 H TYR 97 H TYR 97 4.712 10.117 -2.843 749 HA TYR 97 HA TYR 97 6.267 11.781 -4.718 750 HB2 TYR 97 HB2 TYR 97 5.438 12.684 -1.944 751 HB3 TYR 97 HB3 TYR 97 6.030 13.632 -3.276 752 HD1 TYR 97 HD2 TYR 97 3.052 11.758 -1.986 753 HD2 TYR 97 HD1 TYR 97 4.522 14.612 -4.846 754 HE1 TYR 97 HE2 TYR 97 0.738 12.176 -2.713 755 HE2 TYR 97 HE1 TYR 97 2.216 15.047 -5.617 756 HH TYR 97 HH TYR 97 -0.647 13.210 -4.278 757 H SER 98 H SER 98 8.183 12.766 -3.360 758 HA SER 98 HA SER 98 9.585 10.572 -1.902 759 HB2 SER 98 HB2 SER 98 10.573 10.846 -3.963 760 HB3 SER 98 HB3 SER 98 10.379 12.609 -3.974 761 HG SER 98 HG SER 98 12.191 11.135 -2.371 762 H THR 99 H THR 99 10.599 11.086 0.007 763 HA THR 99 HA THR 99 9.613 13.426 1.430 764 HB THR 99 HB THR 99 10.848 12.409 3.282 765 HG1 THR 99 HG1 THR 99 12.092 10.779 2.946 766 HG21 THR 99 HG21 THR 99 8.894 10.536 1.912 767 HG22 THR 99 HG22 THR 99 8.503 11.858 3.057 768 HG23 THR 99 HG23 THR 99 9.397 10.443 3.607 769 H ASN 100 H ASN 100 10.948 14.661 -0.233 770 HA ASN 100 HA ASN 100 12.564 16.312 -0.584 771 HB2 ASN 100 HB2 ASN 100 13.645 15.964 2.203 772 HB3 ASN 100 HB3 ASN 100 13.445 17.431 1.266 773 HD21 ASN 100 HD21 ASN 100 11.004 17.922 0.730 774 HD22 ASN 100 HD22 ASN 100 9.772 17.400 1.887 775 H GLU 101 H GLU 101 13.551 13.213 0.273 776 HA GLU 101 HA GLU 101 15.846 12.420 0.594 777 HB2 GLU 101 HB2 GLU 101 14.091 11.948 -1.779 778 HB3 GLU 101 HB3 GLU 101 15.634 11.178 -1.822 779 HG2 GLU 101 HG2 GLU 101 13.801 10.882 0.592 780 HG3 GLU 101 HG3 GLU 101 13.616 9.884 -0.856 781 H ASP 102 H ASP 102 15.447 13.353 -2.666 782 HA ASP 102 HA ASP 102 16.836 14.132 -4.362 783 HB2 ASP 102 HB2 ASP 102 16.508 16.173 -2.931 784 HB3 ASP 102 HB3 ASP 102 18.069 15.824 -2.182 785 H SER 103 H SER 103 17.872 12.067 -2.260 786 HA SER 103 HA SER 103 20.720 11.851 -2.932 787 HB2 SER 103 HB2 SER 103 18.954 10.724 -0.717 788 HB3 SER 103 HB3 SER 103 20.704 10.517 -0.858 789 HG SER 103 HG SER 103 19.224 12.933 -0.518 790 H ASP 104 H ASP 104 21.249 9.334 -2.643 791 HA ASP 104 HA ASP 104 19.640 7.929 -4.689 792 HB2 ASP 104 HB2 ASP 104 22.434 7.376 -3.665 793 HB3 ASP 104 HB3 ASP 104 21.594 6.428 -4.898 794 H ALA 105 H ALA 105 19.708 8.143 -1.406 795 HA ALA 105 HA ALA 105 19.494 5.458 -0.522 796 HB1 ALA 105 HB1 ALA 105 19.771 7.191 1.109 797 HB2 ALA 105 HB2 ALA 105 18.359 8.082 0.532 798 HB3 ALA 105 HB3 ALA 105 18.154 6.524 1.356 799 H LYS 106 H LYS 106 16.850 7.857 -1.028 800 HA LYS 106 HA LYS 106 14.658 7.611 -1.542 801 HB2 LYS 106 HB2 LYS 106 15.510 7.480 -3.743 802 HB3 LYS 106 HB3 LYS 106 15.875 5.757 -3.606 803 HG2 LYS 106 HG2 LYS 106 13.695 5.097 -3.918 804 HG3 LYS 106 HG3 LYS 106 13.010 6.548 -3.190 805 HD2 LYS 106 HD2 LYS 106 12.632 6.223 -5.687 806 HD3 LYS 106 HD3 LYS 106 13.182 7.804 -5.145 807 HE2 LYS 106 HE2 LYS 106 14.287 7.130 -7.220 808 HE3 LYS 106 HE3 LYS 106 15.451 7.367 -5.906 809 HZ1 LYS 106 HZ1 LYS 106 14.461 4.765 -6.873 810 HZ2 LYS 106 HZ2 LYS 106 15.547 4.934 -5.663 811 HZ3 LYS 106 HZ3 LYS 106 15.950 5.432 -7.161 812 H ASP 107 H ASP 107 15.149 6.669 0.744 813 HA ASP 107 HA ASP 107 14.157 3.847 0.903 814 HB2 ASP 107 HB2 ASP 107 15.359 5.617 3.069 815 HB3 ASP 107 HB3 ASP 107 14.648 3.996 3.295 816 H GLU 108 H GLU 108 13.393 7.284 1.635 817 HA GLU 108 HA GLU 108 10.734 6.286 2.583 818 HB2 GLU 108 HB2 GLU 108 12.544 8.452 3.488 819 HB3 GLU 108 HB3 GLU 108 10.770 8.642 3.704 820 HG2 GLU 108 HG2 GLU 108 10.641 6.740 5.150 821 HG3 GLU 108 HG3 GLU 108 12.267 6.213 4.658 822 H ILE 109 H ILE 109 9.051 7.046 1.812 823 HA ILE 109 HA ILE 109 8.996 9.128 -0.295 824 HB ILE 109 HB ILE 109 7.691 7.592 -1.790 825 HG12 ILE 109 HG12 ILE 109 8.273 5.059 -1.395 826 HG13 ILE 109 HG13 ILE 109 8.387 5.500 0.302 827 HG21 ILE 109 HG21 ILE 109 10.485 6.540 -1.228 828 HG22 ILE 109 HG22 ILE 109 9.591 6.506 -2.746 829 HG23 ILE 109 HG23 ILE 109 10.139 8.056 -2.087 830 HD11 ILE 109 HD11 ILE 109 6.027 5.666 -1.575 831 HD12 ILE 109 HD12 ILE 109 6.162 4.835 -0.020 832 HD13 ILE 109 HD13 ILE 109 6.017 6.568 -0.044 833 H ILE 110 H ILE 110 6.402 9.336 -0.934 834 HA ILE 110 HA ILE 110 4.881 9.187 1.618 835 HB ILE 110 HB ILE 110 4.787 11.577 -0.226 836 HG12 ILE 110 HG12 ILE 110 6.361 11.257 2.355 837 HG13 ILE 110 HG13 ILE 110 7.084 11.385 0.743 838 HG21 ILE 110 HG21 ILE 110 3.885 11.151 2.654 839 HG22 ILE 110 HG22 ILE 110 3.593 12.581 1.672 840 HG23 ILE 110 HG23 ILE 110 2.810 11.062 1.239 841 HD11 ILE 110 HD11 ILE 110 6.264 13.578 0.420 842 HD12 ILE 110 HD12 ILE 110 5.559 13.590 2.069 843 HD13 ILE 110 HD13 ILE 110 7.309 13.443 1.855 844 H VAL 111 H VAL 111 3.216 7.938 1.258 845 HA VAL 111 HA VAL 111 2.097 7.504 -1.459 846 HB VAL 111 HB VAL 111 2.137 6.075 1.211 847 HG11 VAL 111 HG11 VAL 111 -0.226 5.846 0.510 848 HG12 VAL 111 HG12 VAL 111 0.299 5.256 -1.073 849 HG13 VAL 111 HG13 VAL 111 0.626 4.337 0.416 850 HG21 VAL 111 HG21 VAL 111 3.371 4.459 0.100 851 HG22 VAL 111 HG22 VAL 111 2.734 4.910 -1.512 852 HG23 VAL 111 HG23 VAL 111 3.904 5.928 -0.695 853 H GLU 112 H GLU 112 0.107 8.356 -1.975 854 HA GLU 112 HA GLU 112 -1.332 9.844 0.117 855 HB2 GLU 112 HB2 GLU 112 -0.896 10.756 -2.111 856 HB3 GLU 112 HB3 GLU 112 -1.580 9.449 -2.832 857 HG2 GLU 112 HG2 GLU 112 -3.847 10.110 -1.799 858 HG3 GLU 112 HG3 GLU 112 -3.089 11.590 -1.249 859 H PHE 113 H PHE 113 -3.443 9.135 0.850 860 HA PHE 113 HA PHE 113 -4.726 6.827 -0.412 861 HB2 PHE 113 HB2 PHE 113 -3.078 5.899 1.235 862 HB3 PHE 113 HB3 PHE 113 -3.851 6.823 2.509 863 HD1 PHE 113 HD2 PHE 113 -5.063 4.554 -0.280 864 HD2 PHE 113 HD1 PHE 113 -5.071 5.406 3.941 865 HE1 PHE 113 HE2 PHE 113 -6.631 2.749 0.042 866 HE2 PHE 113 HE1 PHE 113 -6.625 3.533 4.296 867 HZ PHE 113 HZ PHE 113 -7.481 2.222 2.362 868 H ASN 114 H ASN 114 -6.941 6.874 0.064 869 HA ASN 114 HA ASN 114 -8.904 8.026 0.379 870 HB2 ASN 114 HB2 ASN 114 -7.787 7.873 3.196 871 HB3 ASN 114 HB3 ASN 114 -9.442 8.314 2.839 872 HD21 ASN 114 HD21 ASN 114 -10.170 6.348 0.777 873 HD22 ASN 114 HD22 ASN 114 -10.157 4.856 1.669 874 H ARG 115 H ARG 115 -7.148 9.784 -0.724 875 HA ARG 115 HA ARG 115 -6.864 11.954 -1.228 876 HB2 ARG 115 HB2 ARG 115 -9.115 12.718 0.637 877 HB3 ARG 115 HB3 ARG 115 -8.551 13.525 -0.819 878 HG2 ARG 115 HG2 ARG 115 -10.070 10.885 -0.683 879 HG3 ARG 115 HG3 ARG 115 -10.683 12.452 -1.223 880 HD2 ARG 115 HD2 ARG 115 -8.977 12.434 -3.073 881 HD3 ARG 115 HD3 ARG 115 -8.518 10.795 -2.569 882 HE ARG 115 HE ARG 115 -11.349 10.972 -2.968 883 HH11 ARG 115 HH11 ARG 115 -8.261 10.364 -4.608 884 HH12 ARG 115 HH12 ARG 115 -8.973 9.781 -6.063 885 HH21 ARG 115 HH21 ARG 115 -12.321 10.479 -5.028 886 HH22 ARG 115 HH22 ARG 115 -11.326 9.950 -6.352 887 H GLU 116 H GLU 116 -5.257 10.924 1.102 888 HA GLU 116 HA GLU 116 -4.382 13.557 1.999 889 HB2 GLU 116 HB2 GLU 116 -5.430 11.306 3.731 890 HB3 GLU 116 HB3 GLU 116 -4.024 12.171 4.301 891 HG2 GLU 116 HG2 GLU 116 -6.738 13.378 3.636 892 HG3 GLU 116 HG3 GLU 116 -6.036 13.169 5.237 893 H TYR 117 H TYR 117 -2.167 13.510 2.703 894 HA TYR 117 HA TYR 117 -0.585 11.432 1.288 895 HB2 TYR 117 HB2 TYR 117 0.262 14.101 2.441 896 HB3 TYR 117 HB3 TYR 117 1.291 12.984 1.565 897 HD1 TYR 117 HD1 TYR 117 -1.695 12.752 -0.263 898 HD2 TYR 117 HD2 TYR 117 1.482 15.509 0.574 899 HE1 TYR 117 HE1 TYR 117 -2.285 14.005 -2.287 900 HE2 TYR 117 HE2 TYR 117 1.004 16.665 -1.611 901 HH TYR 117 HH TYR 117 -1.977 16.311 -3.272 902 H TYR 118 H TYR 118 0.520 9.861 2.312 903 HA TYR 118 HA TYR 118 1.002 10.046 5.249 904 HB2 TYR 118 HB2 TYR 118 0.242 7.725 3.451 905 HB3 TYR 118 HB3 TYR 118 0.757 7.530 5.082 906 HD1 TYR 118 HD1 TYR 118 -1.951 8.765 2.927 907 HD2 TYR 118 HD2 TYR 118 -0.599 8.306 7.001 908 HE1 TYR 118 HE1 TYR 118 -4.219 9.236 3.724 909 HE2 TYR 118 HE2 TYR 118 -2.852 8.820 7.817 910 HH TYR 118 HH TYR 118 -5.080 9.218 7.222 911 H ARG 119 H ARG 119 3.106 9.973 5.809 912 HA ARG 119 HA ARG 119 5.180 9.554 3.816 913 HB2 ARG 119 HB2 ARG 119 5.366 11.080 5.786 914 HB3 ARG 119 HB3 ARG 119 5.489 9.682 6.860 915 HG2 ARG 119 HG2 ARG 119 7.296 9.979 4.457 916 HG3 ARG 119 HG3 ARG 119 7.616 10.976 5.878 917 HD2 ARG 119 HD2 ARG 119 7.561 7.930 5.909 918 HD3 ARG 119 HD3 ARG 119 8.993 8.944 5.736 919 HE ARG 119 HE ARG 119 7.515 9.657 8.147 920 HH11 ARG 119 HH11 ARG 119 9.829 7.304 6.840 921 HH12 ARG 119 HH12 ARG 119 10.713 7.210 8.285 922 HH21 ARG 119 HH21 ARG 119 8.400 9.204 10.122 923 HH22 ARG 119 HH22 ARG 119 9.816 8.160 10.258 924 H ALA 120 H ALA 120 6.237 7.722 3.351 925 HA ALA 120 HA ALA 120 5.633 5.325 4.994 926 HB1 ALA 120 HB1 ALA 120 5.360 4.013 3.050 927 HB2 ALA 120 HB2 ALA 120 4.344 5.456 2.836 928 HB3 ALA 120 HB3 ALA 120 5.909 5.352 2.014 929 H VAL 121 H VAL 121 7.419 3.629 4.785 930 HA VAL 121 HA VAL 121 10.042 4.662 3.824 931 HB VAL 121 HB VAL 121 9.804 5.088 6.185 932 HG11 VAL 121 HG11 VAL 121 9.569 3.432 7.867 933 HG12 VAL 121 HG12 VAL 121 8.157 3.796 6.858 934 HG13 VAL 121 HG13 VAL 121 9.050 2.283 6.600 935 HG21 VAL 121 HG21 VAL 121 11.835 4.208 6.994 936 HG22 VAL 121 HG22 VAL 121 11.664 2.709 6.059 937 HG23 VAL 121 HG23 VAL 121 12.060 4.232 5.243 938 H LEU 122 H LEU 122 11.513 3.073 3.183 939 HA LEU 122 HA LEU 122 10.379 0.808 1.973 940 HB2 LEU 122 HB2 LEU 122 12.344 2.209 1.236 941 HB3 LEU 122 HB3 LEU 122 13.329 1.460 2.493 942 HG LEU 122 HG LEU 122 12.914 -0.758 1.458 943 HD11 LEU 122 HD11 LEU 122 11.343 0.897 -0.548 944 HD12 LEU 122 HD12 LEU 122 10.767 -0.520 0.364 945 HD13 LEU 122 HD13 LEU 122 11.929 -0.722 -0.946 946 HD21 LEU 122 HD21 LEU 122 14.165 -0.435 -0.704 947 HD22 LEU 122 HD22 LEU 122 14.923 0.437 0.651 948 HD23 LEU 122 HD23 LEU 122 13.944 1.297 -0.546 949 H ILE 123 H ILE 123 10.175 -1.311 2.652 950 HA ILE 123 HA ILE 123 10.800 -1.840 5.519 951 HB ILE 123 HB ILE 123 9.043 -3.173 3.420 952 HG12 ILE 123 HG12 ILE 123 8.252 -1.925 6.060 953 HG13 ILE 123 HG13 ILE 123 8.450 -0.900 4.654 954 HG21 ILE 123 HG21 ILE 123 8.256 -4.717 5.145 955 HG22 ILE 123 HG22 ILE 123 10.000 -4.887 5.026 956 HG23 ILE 123 HG23 ILE 123 9.302 -3.980 6.360 957 HD11 ILE 123 HD11 ILE 123 6.677 -3.316 4.493 958 HD12 ILE 123 HD12 ILE 123 6.085 -1.766 5.122 959 HD13 ILE 123 HD13 ILE 123 6.732 -1.843 3.490 960 H LYS 124 H LYS 124 11.163 -3.332 2.268 961 HA LYS 124 HA LYS 124 12.726 -5.496 2.925 962 HB2 LYS 124 HB2 LYS 124 13.342 -5.419 0.593 963 HB3 LYS 124 HB3 LYS 124 11.622 -5.222 0.808 964 HG2 LYS 124 HG2 LYS 124 11.626 -3.157 -0.150 965 HG3 LYS 124 HG3 LYS 124 13.114 -2.666 0.668 966 HD2 LYS 124 HD2 LYS 124 13.141 -4.561 -1.685 967 HD3 LYS 124 HD3 LYS 124 13.277 -2.787 -1.809 968 HE2 LYS 124 HE2 LYS 124 15.274 -2.649 -0.668 969 HE3 LYS 124 HE3 LYS 124 15.120 -4.267 0.038 970 HZ1 LYS 124 HZ1 LYS 124 16.704 -3.975 -1.882 971 HZ2 LYS 124 HZ2 LYS 124 15.422 -3.932 -2.884 972 HZ3 LYS 124 HZ3 LYS 124 15.720 -5.268 -1.903 973 H ASN 125 H ASN 125 13.677 -2.273 3.387 974 HA ASN 125 HA ASN 125 16.510 -2.504 2.756 975 HB2 ASN 125 HB2 ASN 125 15.066 -0.379 2.846 976 HB3 ASN 125 HB3 ASN 125 15.070 -0.538 4.601 977 HD21 ASN 125 HD21 ASN 125 16.376 1.424 2.422 978 HD22 ASN 125 HD22 ASN 125 17.891 1.671 3.096 979 H GLU 126 H GLU 126 14.377 -2.693 5.654 980 HA GLU 126 HA GLU 126 16.571 -3.725 7.325 981 HB2 GLU 126 HB2 GLU 126 15.150 -3.013 9.194 982 HB3 GLU 126 HB3 GLU 126 15.424 -1.684 8.055 983 HG2 GLU 126 HG2 GLU 126 13.199 -1.932 7.116 984 HG3 GLU 126 HG3 GLU 126 12.892 -3.377 8.087 985 H LYS 127 H LYS 127 13.937 -4.790 5.712 986 HA LYS 127 HA LYS 127 12.625 -6.573 5.538 987 HB2 LYS 127 HB2 LYS 127 15.269 -7.653 6.344 988 HB3 LYS 127 HB3 LYS 127 13.958 -8.781 5.911 989 HG2 LYS 127 HG2 LYS 127 13.704 -7.557 3.776 990 HG3 LYS 127 HG3 LYS 127 15.104 -6.565 4.181 991 HD2 LYS 127 HD2 LYS 127 15.235 -9.591 3.862 992 HD3 LYS 127 HD3 LYS 127 15.477 -8.445 2.554 993 HE2 LYS 127 HE2 LYS 127 17.643 -8.844 3.174 994 HE3 LYS 127 HE3 LYS 127 17.299 -7.335 4.008 995 HZ1 LYS 127 HZ1 LYS 127 17.144 -9.997 5.279 996 HZ2 LYS 127 HZ2 LYS 127 17.133 -8.512 6.059 997 HZ3 LYS 127 HZ3 LYS 127 18.470 -9.069 5.311 998 H GLU 128 H GLU 128 12.069 -5.197 7.877 999 HA GLU 128 HA GLU 128 11.619 -7.012 10.071 1000 HB2 GLU 128 HB2 GLU 128 11.776 -4.620 10.461 1001 HB3 GLU 128 HB3 GLU 128 10.544 -4.307 9.251 1002 HG2 GLU 128 HG2 GLU 128 9.568 -3.922 11.371 1003 HG3 GLU 128 HG3 GLU 128 8.811 -5.353 10.693 Start of MODEL 3 1 H1 GLY 1 H GLY 1 41.998 -29.269 -5.599 2 HA2 GLY 1 HA2 GLY 1 40.914 -28.684 -3.436 3 HA3 GLY 1 HA3 GLY 1 39.548 -28.072 -4.405 4 H SER 2 H SER 2 38.226 -29.734 -3.204 5 HA SER 2 HA SER 2 38.213 -32.309 -4.613 6 HB2 SER 2 HB2 SER 2 37.731 -33.325 -2.269 7 HB3 SER 2 HB3 SER 2 39.415 -33.017 -2.725 8 HG SER 2 HG SER 2 38.880 -32.270 -0.600 9 H THR 3 H THR 3 36.652 -30.472 -1.886 10 HA THR 3 HA THR 3 34.004 -31.158 -2.723 11 HB THR 3 HB THR 3 33.571 -29.211 -0.994 12 HG1 THR 3 HG1 THR 3 35.314 -28.618 0.198 13 HG21 THR 3 HG21 THR 3 33.373 -31.622 -0.439 14 HG22 THR 3 HG22 THR 3 34.079 -30.709 0.903 15 HG23 THR 3 HG23 THR 3 35.123 -31.702 -0.136 16 H MET 4 H MET 4 32.354 -29.477 -3.367 17 HA MET 4 HA MET 4 33.408 -27.180 -4.873 18 HB2 MET 4 HB2 MET 4 31.481 -29.268 -5.994 19 HB3 MET 4 HB3 MET 4 31.989 -27.773 -6.791 20 HG2 MET 4 HG2 MET 4 34.345 -28.623 -6.803 21 HG3 MET 4 HG3 MET 4 33.774 -30.136 -6.089 22 HE1 MET 4 HE1 MET 4 34.587 -31.521 -9.547 23 HE2 MET 4 HE2 MET 4 35.526 -30.385 -8.548 24 HE3 MET 4 HE3 MET 4 34.673 -31.747 -7.785 25 H HIS 5 H HIS 5 31.759 -25.521 -5.079 26 HA HIS 5 HA HIS 5 29.193 -25.869 -3.692 27 HB2 HIS 5 HB2 HIS 5 31.187 -23.612 -3.151 28 HB3 HIS 5 HB3 HIS 5 29.568 -23.744 -2.485 29 HD1 HIS 5 HD1 HIS 5 30.293 -27.013 -1.704 30 HD2 HIS 5 HD2 HIS 5 32.167 -23.400 -0.642 31 HE1 HIS 5 HE1 HIS 5 31.470 -27.426 0.539 32 H PHE 6 H PHE 6 27.725 -24.049 -4.371 33 HA PHE 6 HA PHE 6 28.626 -22.502 -6.712 34 HB2 PHE 6 HB2 PHE 6 25.983 -23.995 -6.542 35 HB3 PHE 6 HB3 PHE 6 26.581 -23.046 -7.889 36 HD1 PHE 6 HD2 PHE 6 28.996 -23.884 -8.838 37 HD2 PHE 6 HD1 PHE 6 26.124 -26.331 -6.742 38 HE1 PHE 6 HE2 PHE 6 29.959 -25.919 -9.876 39 HE2 PHE 6 HE1 PHE 6 27.075 -28.352 -7.795 40 HZ PHE 6 HZ PHE 6 29.005 -28.162 -9.360 41 H THR 7 H THR 7 26.716 -20.807 -7.149 42 HA THR 7 HA THR 7 25.480 -19.910 -4.623 43 HB THR 7 HB THR 7 26.209 -17.603 -5.105 44 HG1 THR 7 HG1 THR 7 26.682 -18.182 -7.356 45 HG21 THR 7 HG21 THR 7 28.489 -17.731 -4.304 46 HG22 THR 7 HG22 THR 7 28.644 -19.420 -4.825 47 HG23 THR 7 HG23 THR 7 27.543 -18.995 -3.497 48 H ASP 8 H ASP 8 23.374 -19.772 -5.113 49 HA ASP 8 HA ASP 8 22.479 -19.384 -7.923 50 HB2 ASP 8 HB2 ASP 8 20.257 -20.094 -7.009 51 HB3 ASP 8 HB3 ASP 8 21.508 -21.317 -6.884 52 H ASP 9 H ASP 9 20.111 -18.146 -7.693 53 HA ASP 9 HA ASP 9 20.391 -15.754 -6.011 54 HB2 ASP 9 HB2 ASP 9 20.213 -15.678 -9.057 55 HB3 ASP 9 HB3 ASP 9 19.877 -14.304 -7.992 56 H ASN 10 H ASN 10 18.370 -14.522 -6.055 57 HA ASN 10 HA ASN 10 15.891 -15.667 -7.001 58 HB2 ASN 10 HB2 ASN 10 16.856 -16.074 -4.173 59 HB3 ASN 10 HB3 ASN 10 15.200 -15.512 -4.327 60 HD21 ASN 10 HD21 ASN 10 16.978 -18.341 -4.181 61 HD22 ASN 10 HD22 ASN 10 15.622 -19.316 -4.789 62 H GLU 11 H GLU 11 14.075 -14.174 -5.669 63 HA GLU 11 HA GLU 11 14.706 -11.482 -6.464 64 HB2 GLU 11 HB2 GLU 11 12.289 -12.401 -4.850 65 HB3 GLU 11 HB3 GLU 11 12.468 -10.924 -5.791 66 HG2 GLU 11 HG2 GLU 11 12.885 -12.657 -7.791 67 HG3 GLU 11 HG3 GLU 11 11.995 -13.747 -6.739 68 H ASN 12 H ASN 12 14.112 -9.603 -4.869 69 HA ASN 12 HA ASN 12 15.236 -10.065 -2.137 70 HB2 ASN 12 HB2 ASN 12 15.946 -7.662 -3.838 71 HB3 ASN 12 HB3 ASN 12 16.619 -8.103 -2.287 72 HD21 ASN 12 HD21 ASN 12 17.716 -10.517 -2.368 73 HD22 ASN 12 HD22 ASN 12 18.700 -10.729 -3.816 74 H ASP 13 H ASP 13 12.433 -9.577 -3.284 75 HA ASP 13 HA ASP 13 11.748 -7.379 -1.495 76 HB2 ASP 13 HB2 ASP 13 10.239 -6.458 -3.281 77 HB3 ASP 13 HB3 ASP 13 11.954 -6.434 -3.719 78 H THR 14 H THR 14 9.206 -7.202 -1.666 79 HA THR 14 HA THR 14 8.281 -9.470 -0.242 80 HB THR 14 HB THR 14 7.553 -7.160 0.182 81 HG1 THR 14 HG1 THR 14 6.077 -8.403 0.958 82 HG21 THR 14 HG21 THR 14 7.334 -6.189 -2.109 83 HG22 THR 14 HG22 THR 14 5.806 -6.067 -1.215 84 HG23 THR 14 HG23 THR 14 5.980 -7.311 -2.411 85 H SER 15 H SER 15 7.943 -8.461 -3.640 86 HA SER 15 HA SER 15 7.190 -9.255 -5.440 87 HB2 SER 15 HB2 SER 15 7.438 -12.093 -4.580 88 HB3 SER 15 HB3 SER 15 7.918 -11.283 -6.082 89 HG SER 15 HG SER 15 9.496 -10.164 -4.717 90 H GLU 16 H GLU 16 5.310 -8.391 -3.807 91 HA GLU 16 HA GLU 16 2.974 -10.084 -4.454 92 HB2 GLU 16 HB2 GLU 16 2.035 -9.938 -2.419 93 HB3 GLU 16 HB3 GLU 16 3.729 -10.027 -1.958 94 HG2 GLU 16 HG2 GLU 16 3.803 -7.667 -1.461 95 HG3 GLU 16 HG3 GLU 16 2.102 -7.517 -1.918 96 H THR 17 H THR 17 0.913 -8.424 -4.181 97 HA THR 17 HA THR 17 1.637 -5.924 -5.610 98 HB THR 17 HB THR 17 0.884 -7.766 -7.129 99 HG1 THR 17 HG1 THR 17 0.671 -6.007 -8.104 100 HG21 THR 17 HG21 THR 17 -1.533 -8.194 -7.347 101 HG22 THR 17 HG22 THR 17 -1.810 -7.360 -5.806 102 HG23 THR 17 HG23 THR 17 -0.826 -8.835 -5.865 103 H MET 18 H MET 18 -0.444 -4.407 -5.595 104 HA MET 18 HA MET 18 -0.841 -3.846 -2.913 105 HB2 MET 18 HB2 MET 18 -2.320 -2.870 -5.355 106 HB3 MET 18 HB3 MET 18 -2.821 -2.381 -3.764 107 HG2 MET 18 HG2 MET 18 0.084 -2.146 -4.319 108 HG3 MET 18 HG3 MET 18 -0.943 -1.077 -5.238 109 HE1 MET 18 HE1 MET 18 -1.553 -0.913 -0.638 110 HE2 MET 18 HE2 MET 18 -2.582 -1.814 -1.741 111 HE3 MET 18 HE3 MET 18 -0.912 -2.354 -1.439 112 H GLU 19 H GLU 19 -2.953 -5.775 -5.085 113 HA GLU 19 HA GLU 19 -5.202 -5.808 -3.285 114 HB2 GLU 19 HB2 GLU 19 -4.382 -7.578 -5.598 115 HB3 GLU 19 HB3 GLU 19 -5.595 -8.155 -4.452 116 HG2 GLU 19 HG2 GLU 19 -6.765 -5.844 -4.818 117 HG3 GLU 19 HG3 GLU 19 -5.770 -5.769 -6.288 118 H SER 20 H SER 20 -2.381 -8.018 -3.591 119 HA SER 20 HA SER 20 -3.083 -9.936 -1.765 120 HB2 SER 20 HB2 SER 20 -0.297 -8.853 -2.313 121 HB3 SER 20 HB3 SER 20 -0.730 -10.496 -1.789 122 HG SER 20 HG SER 20 -0.486 -10.534 -4.023 123 H LEU 21 H LEU 21 -1.873 -6.721 -1.177 124 HA LEU 21 HA LEU 21 -1.152 -7.118 1.611 125 HB2 LEU 21 HB2 LEU 21 -2.110 -4.570 0.150 126 HB3 LEU 21 HB3 LEU 21 -1.426 -4.633 1.739 127 HG LEU 21 HG LEU 21 -0.187 -4.756 -0.941 128 HD11 LEU 21 HD11 LEU 21 -0.276 -2.785 0.623 129 HD12 LEU 21 HD12 LEU 21 1.387 -3.236 0.148 130 HD13 LEU 21 HD13 LEU 21 0.766 -3.660 1.749 131 HD21 LEU 21 HD21 LEU 21 0.667 -6.784 -0.261 132 HD22 LEU 21 HD22 LEU 21 0.981 -6.280 1.406 133 HD23 LEU 21 HD23 LEU 21 1.981 -5.644 0.078 134 H ILE 22 H ILE 22 -3.993 -5.670 -0.030 135 HA ILE 22 HA ILE 22 -5.488 -5.248 2.330 136 HB ILE 22 HB ILE 22 -6.508 -5.721 -0.506 137 HG12 ILE 22 HG12 ILE 22 -5.965 -3.007 0.768 138 HG13 ILE 22 HG13 ILE 22 -4.738 -3.814 -0.210 139 HG21 ILE 22 HG21 ILE 22 -8.295 -4.069 0.576 140 HG22 ILE 22 HG22 ILE 22 -8.371 -5.833 0.871 141 HG23 ILE 22 HG23 ILE 22 -7.695 -4.720 2.089 142 HD11 ILE 22 HD11 ILE 22 -5.927 -2.298 -1.631 143 HD12 ILE 22 HD12 ILE 22 -6.305 -3.957 -2.127 144 HD13 ILE 22 HD13 ILE 22 -7.488 -3.012 -1.196 145 H ASP 23 H ASP 23 -5.320 -8.019 0.101 146 HA ASP 23 HA ASP 23 -7.346 -9.639 1.095 147 HB2 ASP 23 HB2 ASP 23 -5.135 -9.903 -0.685 148 HB3 ASP 23 HB3 ASP 23 -5.026 -11.250 0.420 149 H LYS 24 H LYS 24 -4.278 -8.897 2.635 150 HA LYS 24 HA LYS 24 -4.835 -10.919 4.789 151 HB2 LYS 24 HB2 LYS 24 -2.620 -11.292 4.923 152 HB3 LYS 24 HB3 LYS 24 -2.550 -10.586 3.323 153 HG2 LYS 24 HG2 LYS 24 -0.915 -9.332 4.295 154 HG3 LYS 24 HG3 LYS 24 -2.232 -8.300 4.724 155 HD2 LYS 24 HD2 LYS 24 -2.093 -10.277 6.802 156 HD3 LYS 24 HD3 LYS 24 -0.431 -9.875 6.398 157 HE2 LYS 24 HE2 LYS 24 -0.550 -7.854 7.444 158 HE3 LYS 24 HE3 LYS 24 -2.119 -7.476 6.732 159 HZ1 LYS 24 HZ1 LYS 24 -2.214 -7.668 9.127 160 HZ2 LYS 24 HZ2 LYS 24 -1.717 -9.210 9.082 161 HZ3 LYS 24 HZ3 LYS 24 -3.184 -8.798 8.397 162 H GLY 25 H GLY 25 -5.049 -7.610 4.127 163 HA2 GLY 25 HA2 GLY 25 -6.084 -6.097 5.604 164 HA3 GLY 25 HA3 GLY 25 -5.540 -6.986 6.994 165 H LYS 26 H LYS 26 -3.340 -6.134 4.342 166 HA LYS 26 HA LYS 26 -1.660 -4.608 6.230 167 HB2 LYS 26 HB2 LYS 26 -1.306 -5.806 3.515 168 HB3 LYS 26 HB3 LYS 26 -0.328 -4.389 3.929 169 HG2 LYS 26 HG2 LYS 26 0.369 -5.631 5.983 170 HG3 LYS 26 HG3 LYS 26 -0.368 -7.073 5.319 171 HD2 LYS 26 HD2 LYS 26 1.518 -5.700 3.482 172 HD3 LYS 26 HD3 LYS 26 2.262 -6.305 4.933 173 HE2 LYS 26 HE2 LYS 26 0.462 -8.170 3.386 174 HE3 LYS 26 HE3 LYS 26 2.038 -7.784 2.729 175 HZ1 LYS 26 HZ1 LYS 26 1.764 -8.910 5.473 176 HZ2 LYS 26 HZ2 LYS 26 3.118 -8.653 4.611 177 HZ3 LYS 26 HZ3 LYS 26 2.112 -9.773 4.121 178 H LEU 27 H LEU 27 -3.559 -3.068 6.516 179 HA LEU 27 HA LEU 27 -3.905 -1.102 4.312 180 HB2 LEU 27 HB2 LEU 27 -5.321 -1.396 6.985 181 HB3 LEU 27 HB3 LEU 27 -5.592 -0.107 5.851 182 HG LEU 27 HG LEU 27 -7.365 -1.504 5.426 183 HD11 LEU 27 HD11 LEU 27 -5.357 -2.589 3.402 184 HD12 LEU 27 HD12 LEU 27 -6.181 -1.017 3.254 185 HD13 LEU 27 HD13 LEU 27 -7.121 -2.527 3.237 186 HD21 LEU 27 HD21 LEU 27 -6.371 -3.437 6.742 187 HD22 LEU 27 HD22 LEU 27 -5.626 -3.934 5.216 188 HD23 LEU 27 HD23 LEU 27 -7.386 -3.870 5.341 189 H ASP 28 H ASP 28 -1.642 -1.577 6.478 190 HA ASP 28 HA ASP 28 -1.215 1.345 7.125 191 HB2 ASP 28 HB2 ASP 28 -0.460 -1.143 8.646 192 HB3 ASP 28 HB3 ASP 28 0.414 0.375 8.865 193 H GLN 29 H GLN 29 -0.441 -0.718 4.744 194 HA GLN 29 HA GLN 29 2.104 0.585 4.186 195 HB2 GLN 29 HB2 GLN 29 3.159 -1.689 3.739 196 HB3 GLN 29 HB3 GLN 29 2.986 -1.165 5.409 197 HG2 GLN 29 HG2 GLN 29 0.859 -2.742 5.348 198 HG3 GLN 29 HG3 GLN 29 1.687 -3.373 3.900 199 HE21 GLN 29 HE21 GLN 29 4.392 -3.200 4.690 200 HE22 GLN 29 HE22 GLN 29 4.636 -4.267 6.048 201 H VAL 30 H VAL 30 2.796 -0.013 1.921 202 HA VAL 30 HA VAL 30 0.628 -1.008 0.156 203 HB VAL 30 HB VAL 30 0.722 0.921 -1.294 204 HG11 VAL 30 HG11 VAL 30 -1.078 0.792 0.456 205 HG12 VAL 30 HG12 VAL 30 -0.095 1.856 1.470 206 HG13 VAL 30 HG13 VAL 30 -0.698 2.422 -0.104 207 HG21 VAL 30 HG21 VAL 30 3.039 1.724 -0.225 208 HG22 VAL 30 HG22 VAL 30 1.874 2.836 -0.955 209 HG23 VAL 30 HG23 VAL 30 1.935 2.653 0.814 210 H VAL 31 H VAL 31 1.447 -1.175 -2.291 211 HA VAL 31 HA VAL 31 4.303 -1.711 -2.272 212 HB VAL 31 HB VAL 31 2.520 -3.085 -4.217 213 HG11 VAL 31 HG11 VAL 31 4.921 -4.213 -2.977 214 HG12 VAL 31 HG12 VAL 31 3.926 -4.809 -4.331 215 HG13 VAL 31 HG13 VAL 31 4.844 -3.297 -4.524 216 HG21 VAL 31 HG21 VAL 31 1.427 -3.750 -2.132 217 HG22 VAL 31 HG22 VAL 31 2.385 -5.115 -2.742 218 HG23 VAL 31 HG23 VAL 31 3.046 -4.115 -1.438 219 H TYR 32 H TYR 32 5.395 -0.673 -3.893 220 HA TYR 32 HA TYR 32 4.006 0.266 -6.318 221 HB2 TYR 32 HB2 TYR 32 3.667 2.322 -5.176 222 HB3 TYR 32 HB3 TYR 32 5.173 2.149 -4.281 223 HD1 TYR 32 HD1 TYR 32 4.075 2.428 -7.892 224 HD2 TYR 32 HD2 TYR 32 6.905 3.686 -4.896 225 HE1 TYR 32 HE1 TYR 32 5.332 3.767 -9.571 226 HE2 TYR 32 HE2 TYR 32 8.237 4.861 -6.575 227 HH TYR 32 HH TYR 32 8.596 4.853 -8.998 228 H ASP 33 H ASP 33 5.304 0.109 -7.933 229 HA ASP 33 HA ASP 33 7.045 -0.503 -9.238 230 HB2 ASP 33 HB2 ASP 33 7.668 1.763 -8.227 231 HB3 ASP 33 HB3 ASP 33 8.772 0.923 -7.179 232 H ASP 34 H ASP 34 6.296 -2.406 -7.142 233 HA ASP 34 HA ASP 34 6.860 -4.440 -6.476 234 HB2 ASP 34 HB2 ASP 34 8.380 -4.287 -8.665 235 HB3 ASP 34 HB3 ASP 34 9.690 -4.228 -7.503 236 H GLN 35 H GLN 35 7.234 -2.180 -4.829 237 HA GLN 35 HA GLN 35 9.369 -3.223 -3.002 238 HB2 GLN 35 HB2 GLN 35 8.533 -0.353 -3.167 239 HB3 GLN 35 HB3 GLN 35 9.931 -1.030 -2.337 240 HG2 GLN 35 HG2 GLN 35 9.589 -0.488 -5.304 241 HG3 GLN 35 HG3 GLN 35 10.738 0.129 -4.159 242 HE21 GLN 35 HE21 GLN 35 11.974 -1.866 -2.965 243 HE22 GLN 35 HE22 GLN 35 12.625 -2.950 -4.254 244 H LEU 36 H LEU 36 8.875 -2.767 -0.825 245 HA LEU 36 HA LEU 36 5.929 -2.441 -0.289 246 HB2 LEU 36 HB2 LEU 36 6.948 -4.767 0.078 247 HB3 LEU 36 HB3 LEU 36 7.835 -4.073 1.420 248 HG LEU 36 HG LEU 36 5.692 -3.502 2.555 249 HD11 LEU 36 HD11 LEU 36 4.334 -4.921 0.231 250 HD12 LEU 36 HD12 LEU 36 4.146 -3.208 0.655 251 HD13 LEU 36 HD13 LEU 36 3.553 -4.445 1.753 252 HD21 LEU 36 HD21 LEU 36 5.091 -5.778 3.132 253 HD22 LEU 36 HD22 LEU 36 6.828 -5.745 2.782 254 HD23 LEU 36 HD23 LEU 36 5.686 -6.390 1.577 255 H TYR 37 H TYR 37 5.461 -0.650 0.835 256 HA TYR 37 HA TYR 37 7.657 0.491 2.470 257 HB2 TYR 37 HB2 TYR 37 5.376 2.116 1.350 258 HB3 TYR 37 HB3 TYR 37 6.884 2.691 2.049 259 HD1 TYR 37 HD1 TYR 37 8.943 1.192 0.547 260 HD2 TYR 37 HD2 TYR 37 5.301 3.116 -0.745 261 HE1 TYR 37 HE1 TYR 37 9.901 1.474 -1.741 262 HE2 TYR 37 HE2 TYR 37 6.248 3.395 -2.965 263 HH TYR 37 HH TYR 37 8.360 1.687 -4.334 264 H HIS 38 H HIS 38 7.059 1.352 4.505 265 HA HIS 38 HA HIS 38 4.457 0.397 5.529 266 HB2 HIS 38 HB2 HIS 38 7.186 0.247 6.424 267 HB3 HIS 38 HB3 HIS 38 6.415 1.290 7.531 268 HD1 HIS 38 HD1 HIS 38 7.136 -1.808 8.379 269 HD2 HIS 38 HD2 HIS 38 3.402 -0.107 7.446 270 HE1 HIS 38 HE1 HIS 38 5.363 -3.365 9.322 271 H LEU 39 H LEU 39 2.981 1.959 6.189 272 HA LEU 39 HA LEU 39 3.674 4.774 5.743 273 HB2 LEU 39 HB2 LEU 39 1.311 3.550 7.232 274 HB3 LEU 39 HB3 LEU 39 1.437 5.231 6.712 275 HG LEU 39 HG LEU 39 1.402 2.839 4.814 276 HD11 LEU 39 HD11 LEU 39 -0.737 3.109 5.988 277 HD12 LEU 39 HD12 LEU 39 -0.877 3.542 4.267 278 HD13 LEU 39 HD13 LEU 39 -0.778 4.814 5.514 279 HD21 LEU 39 HD21 LEU 39 2.478 4.971 3.891 280 HD22 LEU 39 HD22 LEU 39 0.950 5.778 4.204 281 HD23 LEU 39 HD23 LEU 39 0.990 4.474 3.033 282 H LYS 40 H LYS 40 4.041 6.341 7.368 283 HA LYS 40 HA LYS 40 4.595 5.272 10.119 284 HB2 LYS 40 HB2 LYS 40 6.215 7.384 8.629 285 HB3 LYS 40 HB3 LYS 40 6.513 6.798 10.264 286 HG2 LYS 40 HG2 LYS 40 6.640 5.160 7.712 287 HG3 LYS 40 HG3 LYS 40 8.032 5.819 8.521 288 HD2 LYS 40 HD2 LYS 40 6.183 3.868 9.942 289 HD3 LYS 40 HD3 LYS 40 7.453 3.320 8.885 290 HE2 LYS 40 HE2 LYS 40 9.127 4.567 10.261 291 HE3 LYS 40 HE3 LYS 40 7.837 5.032 11.381 292 HZ1 LYS 40 HZ1 LYS 40 8.580 2.228 10.776 293 HZ2 LYS 40 HZ2 LYS 40 7.529 2.712 11.945 294 HZ3 LYS 40 HZ3 LYS 40 9.142 3.040 12.057 295 H GLU 41 H GLU 41 4.359 8.329 8.384 296 HA GLU 41 HA GLU 41 2.059 9.043 10.168 297 HB2 GLU 41 HB2 GLU 41 2.994 11.105 10.941 298 HB3 GLU 41 HB3 GLU 41 4.159 9.827 11.242 299 HG2 GLU 41 HG2 GLU 41 5.118 10.609 8.882 300 HG3 GLU 41 HG3 GLU 41 4.216 12.076 9.201 301 H LYS 42 H LYS 42 0.998 11.023 9.655 302 HA LYS 42 HA LYS 42 0.441 11.275 6.784 303 HB2 LYS 42 HB2 LYS 42 -1.277 11.139 8.720 304 HB3 LYS 42 HB3 LYS 42 -0.880 12.812 9.073 305 HG2 LYS 42 HG2 LYS 42 -1.696 11.917 6.275 306 HG3 LYS 42 HG3 LYS 42 -2.917 12.171 7.503 307 HD2 LYS 42 HD2 LYS 42 -0.923 14.340 6.834 308 HD3 LYS 42 HD3 LYS 42 -2.380 14.107 5.871 309 HE2 LYS 42 HE2 LYS 42 -3.020 14.063 8.717 310 HE3 LYS 42 HE3 LYS 42 -2.055 15.502 8.346 311 HZ1 LYS 42 HZ1 LYS 42 -4.622 14.743 7.084 312 HZ2 LYS 42 HZ2 LYS 42 -3.704 16.015 6.605 313 HZ3 LYS 42 HZ3 LYS 42 -4.351 15.958 8.120 314 H VAL 43 H VAL 43 1.010 13.135 5.570 315 HA VAL 43 HA VAL 43 2.467 15.278 7.005 316 HB VAL 43 HB VAL 43 4.107 15.274 5.161 317 HG11 VAL 43 HG11 VAL 43 4.498 14.010 7.336 318 HG12 VAL 43 HG12 VAL 43 4.046 12.533 6.475 319 HG13 VAL 43 HG13 VAL 43 5.465 13.468 5.945 320 HG21 VAL 43 HG21 VAL 43 2.802 12.708 4.226 321 HG22 VAL 43 HG22 VAL 43 2.920 14.265 3.363 322 HG23 VAL 43 HG23 VAL 43 4.379 13.332 3.714 323 H ASP 44 H ASP 44 2.916 17.112 5.449 324 HA ASP 44 HA ASP 44 0.351 17.827 4.163 325 HB2 ASP 44 HB2 ASP 44 1.691 19.239 5.946 326 HB3 ASP 44 HB3 ASP 44 2.679 19.713 4.571 327 H GLU 45 H GLU 45 0.685 19.245 2.162 328 HA GLU 45 HA GLU 45 2.090 17.718 0.182 329 HB2 GLU 45 HB2 GLU 45 0.933 18.891 -1.293 330 HB3 GLU 45 HB3 GLU 45 -0.144 19.004 0.087 331 HG2 GLU 45 HG2 GLU 45 0.109 21.227 0.413 332 HG3 GLU 45 HG3 GLU 45 1.719 21.301 -0.268 333 H ASP 46 H ASP 46 3.066 20.263 2.297 334 HA ASP 46 HA ASP 46 5.191 21.257 0.497 335 HB2 ASP 46 HB2 ASP 46 3.996 22.196 3.088 336 HB3 ASP 46 HB3 ASP 46 5.670 22.613 2.756 337 H LYS 47 H LYS 47 4.886 18.453 2.035 338 HA LYS 47 HA LYS 47 7.657 18.433 3.118 339 HB2 LYS 47 HB2 LYS 47 5.598 16.231 3.437 340 HB3 LYS 47 HB3 LYS 47 7.063 16.521 4.381 341 HG2 LYS 47 HG2 LYS 47 4.480 18.088 4.417 342 HG3 LYS 47 HG3 LYS 47 5.160 17.123 5.690 343 HD2 LYS 47 HD2 LYS 47 7.188 18.968 5.323 344 HD3 LYS 47 HD3 LYS 47 5.762 19.916 4.869 345 HE2 LYS 47 HE2 LYS 47 6.151 20.290 7.193 346 HE3 LYS 47 HE3 LYS 47 4.712 19.254 7.047 347 HZ1 LYS 47 HZ1 LYS 47 7.465 18.270 7.637 348 HZ2 LYS 47 HZ2 LYS 47 6.133 17.348 7.555 349 HZ3 LYS 47 HZ3 LYS 47 6.237 18.425 8.752 350 H LYS 48 H LYS 48 5.665 17.449 0.460 351 HA LYS 48 HA LYS 48 7.313 15.207 -0.380 352 HB2 LYS 48 HB2 LYS 48 5.776 15.069 -2.166 353 HB3 LYS 48 HB3 LYS 48 4.785 15.583 -0.823 354 HG2 LYS 48 HG2 LYS 48 5.347 17.999 -1.913 355 HG3 LYS 48 HG3 LYS 48 5.610 17.022 -3.343 356 HD2 LYS 48 HD2 LYS 48 3.307 16.113 -3.158 357 HD3 LYS 48 HD3 LYS 48 3.048 17.032 -1.682 358 HE2 LYS 48 HE2 LYS 48 3.504 19.134 -2.929 359 HE3 LYS 48 HE3 LYS 48 3.674 18.205 -4.423 360 HZ1 LYS 48 HZ1 LYS 48 1.182 17.683 -3.191 361 HZ2 LYS 48 HZ2 LYS 48 1.487 18.339 -4.676 362 HZ3 LYS 48 HZ3 LYS 48 1.402 19.303 -3.379 363 H GLY 49 H GLY 49 8.753 15.273 -2.174 364 HA2 GLY 49 HA2 GLY 49 9.919 17.998 -2.673 365 HA3 GLY 49 HA3 GLY 49 10.747 16.467 -2.802 366 H LYS 50 H LYS 50 8.617 15.144 -4.327 367 HA LYS 50 HA LYS 50 7.868 16.552 -6.691 368 HB2 LYS 50 HB2 LYS 50 9.467 15.248 -8.208 369 HB3 LYS 50 HB3 LYS 50 10.221 16.514 -7.254 370 HG2 LYS 50 HG2 LYS 50 10.946 14.762 -5.567 371 HG3 LYS 50 HG3 LYS 50 10.357 13.516 -6.676 372 HD2 LYS 50 HD2 LYS 50 12.387 15.641 -7.476 373 HD3 LYS 50 HD3 LYS 50 12.862 14.158 -6.652 374 HE2 LYS 50 HE2 LYS 50 12.188 12.752 -8.408 375 HE3 LYS 50 HE3 LYS 50 11.253 14.029 -9.214 376 HZ1 LYS 50 HZ1 LYS 50 14.122 14.427 -8.801 377 HZ2 LYS 50 HZ2 LYS 50 13.130 15.025 -9.969 378 HZ3 LYS 50 HZ3 LYS 50 13.629 13.450 -10.028 379 H VAL 51 H VAL 51 6.784 15.030 -8.179 380 HA VAL 51 HA VAL 51 5.632 12.670 -6.827 381 HB VAL 51 HB VAL 51 5.288 14.101 -9.487 382 HG11 VAL 51 HG11 VAL 51 3.537 12.520 -10.089 383 HG12 VAL 51 HG12 VAL 51 5.073 11.693 -9.996 384 HG13 VAL 51 HG13 VAL 51 3.908 11.505 -8.667 385 HG21 VAL 51 HG21 VAL 51 4.203 15.016 -7.424 386 HG22 VAL 51 HG22 VAL 51 3.061 14.518 -8.669 387 HG23 VAL 51 HG23 VAL 51 3.318 13.463 -7.276 388 H ILE 52 H ILE 52 6.049 10.547 -7.507 389 HA ILE 52 HA ILE 52 8.403 10.172 -9.287 390 HB ILE 52 HB ILE 52 9.353 8.510 -7.762 391 HG12 ILE 52 HG12 ILE 52 7.319 9.455 -5.700 392 HG13 ILE 52 HG13 ILE 52 7.282 7.893 -6.522 393 HG21 ILE 52 HG21 ILE 52 9.032 11.218 -6.393 394 HG22 ILE 52 HG22 ILE 52 10.407 10.102 -6.291 395 HG23 ILE 52 HG23 ILE 52 10.068 10.915 -7.811 396 HD11 ILE 52 HD11 ILE 52 9.491 7.324 -5.526 397 HD12 ILE 52 HD12 ILE 52 9.451 8.844 -4.605 398 HD13 ILE 52 HD13 ILE 52 8.218 7.601 -4.333 399 H GLY 53 H GLY 53 5.306 9.003 -8.117 400 HA2 GLY 53 HA2 GLY 53 4.946 7.336 -10.426 401 HA3 GLY 53 HA3 GLY 53 5.219 6.386 -8.950 402 H ALA 54 H ALA 54 2.717 5.955 -9.777 403 HA ALA 54 HA ALA 54 1.141 7.433 -7.872 404 HB1 ALA 54 HB1 ALA 54 -0.444 8.354 -9.396 405 HB2 ALA 54 HB2 ALA 54 1.107 8.683 -10.193 406 HB3 ALA 54 HB3 ALA 54 0.123 7.339 -10.739 407 H ILE 55 H ILE 55 -0.107 5.926 -6.728 408 HA ILE 55 HA ILE 55 -0.510 3.308 -7.870 409 HB ILE 55 HB ILE 55 -1.779 4.640 -5.443 410 HG12 ILE 55 HG12 ILE 55 0.674 2.838 -5.484 411 HG13 ILE 55 HG13 ILE 55 0.711 4.589 -5.294 412 HG21 ILE 55 HG21 ILE 55 -2.173 2.371 -4.624 413 HG22 ILE 55 HG22 ILE 55 -3.036 2.722 -6.092 414 HG23 ILE 55 HG23 ILE 55 -1.561 1.706 -6.158 415 HD11 ILE 55 HD11 ILE 55 -0.377 2.566 -3.324 416 HD12 ILE 55 HD12 ILE 55 0.847 3.821 -3.110 417 HD13 ILE 55 HD13 ILE 55 -0.851 4.290 -3.267 418 H GLY 56 H GLY 56 -2.852 5.888 -6.881 419 HA2 GLY 56 HA2 GLY 56 -4.906 6.513 -7.731 420 HA3 GLY 56 HA3 GLY 56 -4.327 5.967 -9.287 421 H GLN 57 H GLN 57 -4.375 3.276 -7.119 422 HA GLN 57 HA GLN 57 -6.566 2.111 -8.614 423 HB2 GLN 57 HB2 GLN 57 -4.910 1.036 -6.293 424 HB3 GLN 57 HB3 GLN 57 -5.992 0.094 -7.308 425 HG2 GLN 57 HG2 GLN 57 -4.438 1.131 -9.261 426 HG3 GLN 57 HG3 GLN 57 -3.270 1.203 -7.954 427 HE21 GLN 57 HE21 GLN 57 -2.557 -0.811 -6.979 428 HE22 GLN 57 HE22 GLN 57 -2.598 -2.241 -7.961 429 H THR 58 H THR 58 -8.254 0.798 -7.329 430 HA THR 58 HA THR 58 -9.034 2.027 -4.819 431 HB THR 58 HB THR 58 -10.978 1.964 -7.124 432 HG1 THR 58 HG1 THR 58 -9.129 3.716 -6.755 433 HG21 THR 58 HG21 THR 58 -12.386 3.371 -5.582 434 HG22 THR 58 HG22 THR 58 -11.192 3.069 -4.290 435 HG23 THR 58 HG23 THR 58 -12.126 1.729 -4.992 436 H PHE 59 H PHE 59 -9.988 0.491 -3.475 437 HA PHE 59 HA PHE 59 -11.177 -1.897 -4.666 438 HB2 PHE 59 HB2 PHE 59 -8.956 -2.068 -2.601 439 HB3 PHE 59 HB3 PHE 59 -9.863 -3.428 -3.272 440 HD1 PHE 59 HD1 PHE 59 -9.707 -3.858 -5.839 441 HD2 PHE 59 HD2 PHE 59 -6.868 -1.478 -3.619 442 HE1 PHE 59 HE1 PHE 59 -8.025 -4.188 -7.604 443 HE2 PHE 59 HE2 PHE 59 -5.160 -1.866 -5.383 444 HZ PHE 59 HZ PHE 59 -5.764 -3.187 -7.407 445 H PHE 60 H PHE 60 -12.031 -3.335 -2.615 446 HA PHE 60 HA PHE 60 -12.946 -1.556 -0.421 447 HB2 PHE 60 HB2 PHE 60 -14.841 -3.271 -2.066 448 HB3 PHE 60 HB3 PHE 60 -15.253 -2.280 -0.680 449 HD1 PHE 60 HD1 PHE 60 -14.264 -2.226 -4.265 450 HD2 PHE 60 HD2 PHE 60 -15.668 0.093 -0.914 451 HE1 PHE 60 HE1 PHE 60 -14.783 -0.377 -5.776 452 HE2 PHE 60 HE2 PHE 60 -16.267 1.946 -2.456 453 HZ PHE 60 HZ PHE 60 -15.805 1.731 -4.903 454 H VAL 61 H VAL 61 -13.578 -2.695 1.567 455 HA VAL 61 HA VAL 61 -13.496 -5.623 1.496 456 HB VAL 61 HB VAL 61 -12.200 -5.790 3.512 457 HG11 VAL 61 HG11 VAL 61 -10.038 -5.495 2.653 458 HG12 VAL 61 HG12 VAL 61 -11.085 -5.951 1.311 459 HG13 VAL 61 HG13 VAL 61 -10.583 -4.238 1.513 460 HG21 VAL 61 HG21 VAL 61 -12.588 -3.632 4.509 461 HG22 VAL 61 HG22 VAL 61 -10.852 -3.938 4.358 462 HG23 VAL 61 HG23 VAL 61 -11.671 -2.819 3.205 463 H ASP 62 H ASP 62 -14.367 -6.483 3.636 464 HA ASP 62 HA ASP 62 -16.664 -4.871 4.538 465 HB2 ASP 62 HB2 ASP 62 -17.726 -6.876 4.985 466 HB3 ASP 62 HB3 ASP 62 -16.869 -7.252 3.487 467 H GLY 63 H GLY 63 -17.123 -6.030 7.008 468 HA2 GLY 63 HA2 GLY 63 -15.261 -4.580 8.664 469 HA3 GLY 63 HA3 GLY 63 -16.587 -5.629 9.176 470 H ASP 64 H ASP 64 -15.403 -7.868 7.428 471 HA ASP 64 HA ASP 64 -13.692 -8.843 9.592 472 HB2 ASP 64 HB2 ASP 64 -15.630 -10.153 8.554 473 HB3 ASP 64 HB3 ASP 64 -14.586 -10.398 7.158 474 H GLY 65 H GLY 65 -13.368 -7.545 6.424 475 HA2 GLY 65 HA2 GLY 65 -11.316 -6.631 5.663 476 HA3 GLY 65 HA3 GLY 65 -10.408 -7.863 6.547 477 H LYS 66 H LYS 66 -13.228 -8.760 4.526 478 HA LYS 66 HA LYS 66 -11.422 -10.367 2.825 479 HB2 LYS 66 HB2 LYS 66 -14.234 -10.548 3.753 480 HB3 LYS 66 HB3 LYS 66 -14.149 -10.621 2.018 481 HG2 LYS 66 HG2 LYS 66 -12.102 -12.392 2.771 482 HG3 LYS 66 HG3 LYS 66 -13.289 -12.582 4.060 483 HD2 LYS 66 HD2 LYS 66 -13.687 -14.222 2.326 484 HD3 LYS 66 HD3 LYS 66 -15.037 -13.069 2.363 485 HE2 LYS 66 HE2 LYS 66 -14.105 -11.872 0.421 486 HE3 LYS 66 HE3 LYS 66 -12.683 -12.933 0.407 487 HZ1 LYS 66 HZ1 LYS 66 -15.342 -14.123 0.174 488 HZ2 LYS 66 HZ2 LYS 66 -13.903 -14.626 -0.473 489 HZ3 LYS 66 HZ3 LYS 66 -14.731 -13.350 -1.114 490 H ARG 67 H ARG 67 -11.055 -9.894 0.665 491 HA ARG 67 HA ARG 67 -11.686 -7.271 -0.291 492 HB2 ARG 67 HB2 ARG 67 -10.005 -9.523 -1.048 493 HB3 ARG 67 HB3 ARG 67 -10.981 -9.080 -2.441 494 HG2 ARG 67 HG2 ARG 67 -9.428 -7.026 -0.850 495 HG3 ARG 67 HG3 ARG 67 -8.692 -7.955 -2.145 496 HD2 ARG 67 HD2 ARG 67 -11.206 -6.258 -2.526 497 HD3 ARG 67 HD3 ARG 67 -9.528 -5.743 -2.869 498 HE ARG 67 HE ARG 67 -9.458 -7.853 -4.272 499 HH11 ARG 67 HH11 ARG 67 -12.670 -6.338 -4.378 500 HH12 ARG 67 HH12 ARG 67 -12.542 -6.134 -6.068 501 HH21 ARG 67 HH21 ARG 67 -9.624 -7.829 -6.451 502 HH22 ARG 67 HH22 ARG 67 -11.108 -7.219 -7.233 503 H TRP 68 H TRP 68 -13.522 -6.625 -1.234 504 HA TRP 68 HA TRP 68 -15.802 -8.455 -1.483 505 HB2 TRP 68 HB2 TRP 68 -15.284 -5.564 -2.236 506 HB3 TRP 68 HB3 TRP 68 -16.682 -6.397 -2.859 507 HD1 TRP 68 HD1 TRP 68 -15.299 -5.893 0.731 508 HE1 TRP 68 HE1 TRP 68 -17.266 -5.292 2.263 509 HE3 TRP 68 HE3 TRP 68 -19.062 -6.334 -2.665 510 HZ2 TRP 68 HZ2 TRP 68 -20.148 -5.101 2.025 511 HZ3 TRP 68 HZ3 TRP 68 -21.423 -6.020 -1.980 512 HH2 TRP 68 HH2 TRP 68 -21.965 -5.376 0.359 513 H SER 69 H SER 69 -16.380 -9.607 -3.294 514 HA SER 69 HA SER 69 -14.539 -9.640 -5.563 515 HB2 SER 69 HB2 SER 69 -17.292 -10.918 -5.368 516 HB3 SER 69 HB3 SER 69 -15.926 -11.429 -6.369 517 HG SER 69 HG SER 69 -14.900 -11.629 -4.068 518 H GLU 70 H GLU 70 -15.051 -8.936 -7.712 519 HA GLU 70 HA GLU 70 -16.480 -6.560 -8.018 520 HB2 GLU 70 HB2 GLU 70 -15.554 -8.636 -10.005 521 HB3 GLU 70 HB3 GLU 70 -16.320 -7.130 -10.490 522 HG2 GLU 70 HG2 GLU 70 -13.930 -6.843 -10.565 523 HG3 GLU 70 HG3 GLU 70 -14.640 -5.793 -9.349 524 H GLU 71 H GLU 71 -17.601 -9.863 -8.260 525 HA GLU 71 HA GLU 71 -20.080 -9.585 -9.563 526 HB2 GLU 71 HB2 GLU 71 -19.071 -11.566 -7.482 527 HB3 GLU 71 HB3 GLU 71 -20.490 -11.817 -8.529 528 HG2 GLU 71 HG2 GLU 71 -19.089 -11.800 -10.518 529 HG3 GLU 71 HG3 GLU 71 -17.678 -11.300 -9.582 530 H GLU 72 H GLU 72 -19.069 -9.122 -6.230 531 HA GLU 72 HA GLU 72 -21.786 -8.941 -5.094 532 HB2 GLU 72 HB2 GLU 72 -19.068 -8.282 -3.892 533 HB3 GLU 72 HB3 GLU 72 -20.611 -8.295 -3.032 534 HG2 GLU 72 HG2 GLU 72 -20.850 -10.698 -3.408 535 HG3 GLU 72 HG3 GLU 72 -19.370 -10.727 -4.380 536 H LEU 73 H LEU 73 -19.136 -6.870 -6.173 537 HA LEU 73 HA LEU 73 -20.193 -4.373 -5.200 538 HB2 LEU 73 HB2 LEU 73 -18.215 -4.986 -7.444 539 HB3 LEU 73 HB3 LEU 73 -18.557 -3.386 -6.840 540 HG LEU 73 HG LEU 73 -17.337 -5.642 -5.209 541 HD11 LEU 73 HD11 LEU 73 -16.089 -3.057 -6.229 542 HD12 LEU 73 HD12 LEU 73 -15.818 -4.662 -6.928 543 HD13 LEU 73 HD13 LEU 73 -15.287 -4.333 -5.281 544 HD21 LEU 73 HD21 LEU 73 -17.915 -2.757 -4.445 545 HD22 LEU 73 HD22 LEU 73 -16.918 -3.888 -3.502 546 HD23 LEU 73 HD23 LEU 73 -18.630 -4.222 -3.713 547 H LYS 74 H LYS 74 -20.664 -6.105 -8.288 548 HA LYS 74 HA LYS 74 -22.033 -3.840 -9.512 549 HB2 LYS 74 HB2 LYS 74 -22.243 -5.207 -11.437 550 HB3 LYS 74 HB3 LYS 74 -20.683 -5.610 -10.729 551 HG2 LYS 74 HG2 LYS 74 -22.001 -7.515 -9.507 552 HG3 LYS 74 HG3 LYS 74 -23.249 -7.230 -10.718 553 HD2 LYS 74 HD2 LYS 74 -20.353 -7.972 -11.230 554 HD3 LYS 74 HD3 LYS 74 -21.718 -9.087 -11.284 555 HE2 LYS 74 HE2 LYS 74 -22.710 -7.929 -13.183 556 HE3 LYS 74 HE3 LYS 74 -21.484 -6.654 -13.104 557 HZ1 LYS 74 HZ1 LYS 74 -20.894 -9.493 -13.666 558 HZ2 LYS 74 HZ2 LYS 74 -19.811 -8.243 -13.644 559 HZ3 LYS 74 HZ3 LYS 74 -20.991 -8.317 -14.800 560 H GLU 75 H GLU 75 -23.149 -6.046 -7.183 561 HA GLU 75 HA GLU 75 -25.657 -6.810 -8.153 562 HB2 GLU 75 HB2 GLU 75 -25.001 -6.023 -5.336 563 HB3 GLU 75 HB3 GLU 75 -26.361 -7.003 -5.801 564 HG2 GLU 75 HG2 GLU 75 -24.889 -8.762 -6.672 565 HG3 GLU 75 HG3 GLU 75 -23.482 -7.847 -6.238 566 HA PRO 76 HA PRO 76 -27.928 -3.046 -8.263 567 HB2 PRO 76 HB2 PRO 76 -30.518 -3.871 -8.157 568 HB3 PRO 76 HB3 PRO 76 -29.432 -4.307 -9.515 569 HG2 PRO 76 HG2 PRO 76 -30.208 -5.984 -7.121 570 HG3 PRO 76 HG3 PRO 76 -30.089 -6.482 -8.837 571 HD2 PRO 76 HD2 PRO 76 -28.128 -6.844 -6.911 572 HD3 PRO 76 HD3 PRO 76 -27.747 -6.784 -8.633 573 H TYR 77 H TYR 77 -29.223 -1.571 -7.047 574 HA TYR 77 HA TYR 77 -28.738 -1.605 -4.241 575 HB2 TYR 77 HB2 TYR 77 -29.058 0.400 -5.768 576 HB3 TYR 77 HB3 TYR 77 -30.792 0.054 -5.725 577 HD1 TYR 77 HD1 TYR 77 -27.837 1.002 -3.643 578 HD2 TYR 77 HD2 TYR 77 -32.143 0.800 -3.875 579 HE1 TYR 77 HE1 TYR 77 -28.010 2.395 -1.616 580 HE2 TYR 77 HE2 TYR 77 -32.314 2.159 -1.806 581 HH TYR 77 HH TYR 77 -29.422 3.402 -0.081 582 H ILE 78 H ILE 78 -30.167 -1.820 -2.588 583 HA ILE 78 HA ILE 78 -32.869 -2.948 -2.935 584 HB ILE 78 HB ILE 78 -32.345 -4.820 -1.350 585 HG12 ILE 78 HG12 ILE 78 -29.404 -4.323 -1.980 586 HG13 ILE 78 HG13 ILE 78 -30.170 -3.812 -0.475 587 HG21 ILE 78 HG21 ILE 78 -32.540 -5.098 -3.826 588 HG22 ILE 78 HG22 ILE 78 -30.771 -5.043 -3.927 589 HG23 ILE 78 HG23 ILE 78 -31.571 -6.339 -3.021 590 HD11 ILE 78 HD11 ILE 78 -30.776 -6.155 0.046 591 HD12 ILE 78 HD12 ILE 78 -29.964 -6.690 -1.446 592 HD13 ILE 78 HD13 ILE 78 -29.027 -5.936 -0.158 593 H SER 79 H SER 79 -33.511 -3.532 -0.345 594 HA SER 79 HA SER 79 -33.846 -0.971 0.793 595 HB2 SER 79 HB2 SER 79 -34.342 -3.819 1.756 596 HB3 SER 79 HB3 SER 79 -34.844 -2.380 2.665 597 HG SER 79 HG SER 79 -35.650 -3.098 0.030 598 H ASN 80 H ASN 80 -33.363 -0.731 3.154 599 HA ASN 80 HA ASN 80 -30.630 -0.291 3.523 600 HB2 ASN 80 HB2 ASN 80 -32.898 -0.409 5.527 601 HB3 ASN 80 HB3 ASN 80 -31.231 -0.196 6.069 602 HD21 ASN 80 HD21 ASN 80 -29.915 1.557 4.989 603 HD22 ASN 80 HD22 ASN 80 -30.791 3.022 4.541 604 H ASN 81 H ASN 81 -32.450 -3.147 4.631 605 HA ASN 81 HA ASN 81 -31.795 -4.937 5.949 606 HB2 ASN 81 HB2 ASN 81 -30.595 -4.998 3.164 607 HB3 ASN 81 HB3 ASN 81 -30.492 -6.375 4.249 608 HD21 ASN 81 HD21 ASN 81 -31.724 -7.751 3.044 609 HD22 ASN 81 HD22 ASN 81 -33.468 -7.578 2.968 610 HA PRO 82 HA PRO 82 -27.516 -3.383 7.000 611 HB2 PRO 82 HB2 PRO 82 -27.831 -2.552 9.546 612 HB3 PRO 82 HB3 PRO 82 -28.384 -1.591 8.121 613 HG2 PRO 82 HG2 PRO 82 -30.088 -3.485 9.776 614 HG3 PRO 82 HG3 PRO 82 -30.379 -1.739 9.468 615 HD2 PRO 82 HD2 PRO 82 -31.487 -3.571 7.843 616 HD3 PRO 82 HD3 PRO 82 -30.739 -2.103 7.151 617 H ASP 83 H ASP 83 -29.413 -5.984 7.967 618 HA ASP 83 HA ASP 83 -27.279 -7.096 9.743 619 HB2 ASP 83 HB2 ASP 83 -29.723 -7.050 10.471 620 HB3 ASP 83 HB3 ASP 83 -30.030 -8.265 9.220 621 H GLU 84 H GLU 84 -28.919 -7.441 6.637 622 HA GLU 84 HA GLU 84 -27.727 -10.025 6.022 623 HB2 GLU 84 HB2 GLU 84 -29.307 -8.093 4.294 624 HB3 GLU 84 HB3 GLU 84 -28.956 -9.767 3.936 625 HG2 GLU 84 HG2 GLU 84 -30.717 -8.841 6.261 626 HG3 GLU 84 HG3 GLU 84 -31.313 -9.261 4.673 627 H ILE 85 H ILE 85 -27.582 -6.618 4.614 628 HA ILE 85 HA ILE 85 -25.430 -7.415 2.883 629 HB ILE 85 HB ILE 85 -25.303 -5.188 2.164 630 HG12 ILE 85 HG12 ILE 85 -26.697 -4.303 4.712 631 HG13 ILE 85 HG13 ILE 85 -25.065 -3.961 4.201 632 HG21 ILE 85 HG21 ILE 85 -27.538 -4.732 1.439 633 HG22 ILE 85 HG22 ILE 85 -27.376 -6.487 1.593 634 HG23 ILE 85 HG23 ILE 85 -28.242 -5.561 2.841 635 HD11 ILE 85 HD11 ILE 85 -27.596 -2.885 2.905 636 HD12 ILE 85 HD12 ILE 85 -26.405 -1.993 3.858 637 HD13 ILE 85 HD13 ILE 85 -25.953 -2.644 2.270 638 H ARG 86 H ARG 86 -23.229 -6.343 3.003 639 HA ARG 86 HA ARG 86 -22.336 -6.265 5.840 640 HB2 ARG 86 HB2 ARG 86 -21.560 -8.064 3.857 641 HB3 ARG 86 HB3 ARG 86 -20.332 -6.812 3.701 642 HG2 ARG 86 HG2 ARG 86 -19.552 -8.472 5.252 643 HG3 ARG 86 HG3 ARG 86 -19.911 -7.000 6.178 644 HD2 ARG 86 HD2 ARG 86 -21.988 -7.937 6.991 645 HD3 ARG 86 HD3 ARG 86 -21.889 -9.290 5.844 646 HE ARG 86 HE ARG 86 -19.666 -9.112 7.704 647 HH11 ARG 86 HH11 ARG 86 -23.060 -10.159 7.384 648 HH12 ARG 86 HH12 ARG 86 -22.889 -11.628 8.253 649 HH21 ARG 86 HH21 ARG 86 -19.491 -10.990 9.198 650 HH22 ARG 86 HH22 ARG 86 -20.892 -11.938 9.498 651 H GLU 87 H GLU 87 -20.451 -4.870 6.283 652 HA GLU 87 HA GLU 87 -20.962 -2.256 5.195 653 HB2 GLU 87 HB2 GLU 87 -19.113 -1.490 6.550 654 HB3 GLU 87 HB3 GLU 87 -20.228 -2.518 7.478 655 HG2 GLU 87 HG2 GLU 87 -18.660 -4.407 7.107 656 HG3 GLU 87 HG3 GLU 87 -17.487 -3.253 6.441 657 H LYS 88 H LYS 88 -19.341 -0.957 4.015 658 HA LYS 88 HA LYS 88 -17.407 -2.596 2.447 659 HB2 LYS 88 HB2 LYS 88 -19.626 -2.528 1.329 660 HB3 LYS 88 HB3 LYS 88 -19.499 -0.771 1.198 661 HG2 LYS 88 HG2 LYS 88 -17.637 -0.943 -0.313 662 HG3 LYS 88 HG3 LYS 88 -17.328 -2.629 0.147 663 HD2 LYS 88 HD2 LYS 88 -18.336 -2.518 -2.047 664 HD3 LYS 88 HD3 LYS 88 -19.371 -3.365 -0.883 665 HE2 LYS 88 HE2 LYS 88 -20.584 -1.089 -0.601 666 HE3 LYS 88 HE3 LYS 88 -19.764 -0.630 -2.108 667 HZ1 LYS 88 HZ1 LYS 88 -21.531 -3.007 -1.807 668 HZ2 LYS 88 HZ2 LYS 88 -20.922 -2.364 -3.231 669 HZ3 LYS 88 HZ3 LYS 88 -22.027 -1.571 -2.306 670 H LYS 89 H LYS 89 -15.686 -1.669 3.376 671 HA LYS 89 HA LYS 89 -15.322 1.160 3.744 672 HB2 LYS 89 HB2 LYS 89 -13.325 -1.123 3.991 673 HB3 LYS 89 HB3 LYS 89 -13.202 0.481 4.711 674 HG2 LYS 89 HG2 LYS 89 -15.116 -0.054 6.209 675 HG3 LYS 89 HG3 LYS 89 -15.293 -1.634 5.425 676 HD2 LYS 89 HD2 LYS 89 -12.883 -2.102 6.077 677 HD3 LYS 89 HD3 LYS 89 -12.955 -0.677 7.122 678 HE2 LYS 89 HE2 LYS 89 -15.008 -2.932 7.203 679 HE3 LYS 89 HE3 LYS 89 -13.463 -3.061 8.048 680 HZ1 LYS 89 HZ1 LYS 89 -14.895 -2.241 9.625 681 HZ2 LYS 89 HZ2 LYS 89 -15.698 -1.262 8.652 682 HZ3 LYS 89 HZ3 LYS 89 -14.155 -0.860 9.152 683 HA PRO 90 HA PRO 90 -13.611 1.175 -0.539 684 HB2 PRO 90 HB2 PRO 90 -13.604 3.876 -0.952 685 HB3 PRO 90 HB3 PRO 90 -15.120 2.934 -0.977 686 HG2 PRO 90 HG2 PRO 90 -14.018 4.576 1.267 687 HG3 PRO 90 HG3 PRO 90 -15.702 4.510 0.679 688 HD2 PRO 90 HD2 PRO 90 -14.853 3.034 2.868 689 HD3 PRO 90 HD3 PRO 90 -16.142 2.532 1.766 690 H LEU 91 H LEU 91 -11.500 1.502 -1.260 691 HA LEU 91 HA LEU 91 -9.548 2.889 0.520 692 HB2 LEU 91 HB2 LEU 91 -9.162 0.274 -1.035 693 HB3 LEU 91 HB3 LEU 91 -7.982 1.034 0.013 694 HG LEU 91 HG LEU 91 -10.635 -0.147 0.969 695 HD11 LEU 91 HD11 LEU 91 -7.855 -1.364 0.937 696 HD12 LEU 91 HD12 LEU 91 -9.262 -1.882 -0.017 697 HD13 LEU 91 HD13 LEU 91 -9.282 -2.052 1.744 698 HD21 LEU 91 HD21 LEU 91 -9.651 -0.105 3.169 699 HD22 LEU 91 HD22 LEU 91 -9.634 1.529 2.534 700 HD23 LEU 91 HD23 LEU 91 -8.132 0.542 2.570 701 H ARG 92 H ARG 92 -9.311 4.750 -0.819 702 HA ARG 92 HA ARG 92 -8.973 4.446 -3.744 703 HB2 ARG 92 HB2 ARG 92 -9.869 6.672 -1.866 704 HB3 ARG 92 HB3 ARG 92 -9.304 6.997 -3.512 705 HG2 ARG 92 HG2 ARG 92 -10.998 5.519 -4.460 706 HG3 ARG 92 HG3 ARG 92 -11.606 5.107 -2.824 707 HD2 ARG 92 HD2 ARG 92 -12.317 7.339 -2.421 708 HD3 ARG 92 HD3 ARG 92 -11.351 7.963 -3.763 709 HE ARG 92 HE ARG 92 -13.214 6.174 -4.870 710 HH11 ARG 92 HH11 ARG 92 -13.213 9.313 -3.216 711 HH12 ARG 92 HH12 ARG 92 -14.560 9.960 -4.049 712 HH21 ARG 92 HH21 ARG 92 -14.965 6.938 -6.018 713 HH22 ARG 92 HH22 ARG 92 -15.724 8.455 -5.659 714 H TYR 93 H TYR 93 -6.898 4.081 -4.083 715 HA TYR 93 HA TYR 93 -4.838 5.344 -2.434 716 HB2 TYR 93 HB2 TYR 93 -4.665 3.464 -4.787 717 HB3 TYR 93 HB3 TYR 93 -3.312 4.068 -3.805 718 HD1 TYR 93 HD2 TYR 93 -6.356 1.902 -3.754 719 HD2 TYR 93 HD1 TYR 93 -2.854 3.215 -1.574 720 HE1 TYR 93 HE2 TYR 93 -6.747 0.150 -2.049 721 HE2 TYR 93 HE1 TYR 93 -3.242 1.471 0.105 722 HH TYR 93 HH TYR 93 -4.533 -0.396 0.715 723 H GLY 94 H GLY 94 -3.383 6.844 -3.025 724 HA2 GLY 94 HA2 GLY 94 -3.935 8.751 -4.955 725 HA3 GLY 94 HA3 GLY 94 -3.181 8.649 -3.380 726 H LYS 95 H LYS 95 -1.990 10.047 -5.375 727 HA LYS 95 HA LYS 95 -0.142 8.519 -6.988 728 HB2 LYS 95 HB2 LYS 95 -1.143 10.746 -7.435 729 HB3 LYS 95 HB3 LYS 95 -0.142 11.454 -6.161 730 HG2 LYS 95 HG2 LYS 95 1.850 11.167 -7.391 731 HG3 LYS 95 HG3 LYS 95 1.138 9.968 -8.472 732 HD2 LYS 95 HD2 LYS 95 0.561 12.969 -8.428 733 HD3 LYS 95 HD3 LYS 95 1.450 12.059 -9.647 734 HE2 LYS 95 HE2 LYS 95 -0.488 12.132 -10.778 735 HE3 LYS 95 HE3 LYS 95 -0.825 10.682 -9.833 736 HZ1 LYS 95 HZ1 LYS 95 -2.689 12.123 -9.672 737 HZ2 LYS 95 HZ2 LYS 95 -1.764 13.428 -9.334 738 HZ3 LYS 95 HZ3 LYS 95 -1.950 12.284 -8.198 739 H VAL 96 H VAL 96 2.381 8.972 -6.663 740 HA VAL 96 HA VAL 96 3.000 8.935 -3.774 741 HB VAL 96 HB VAL 96 4.299 7.290 -5.971 742 HG11 VAL 96 HG11 VAL 96 5.842 7.822 -4.066 743 HG12 VAL 96 HG12 VAL 96 4.602 7.199 -2.950 744 HG13 VAL 96 HG13 VAL 96 5.415 6.113 -4.103 745 HG21 VAL 96 HG21 VAL 96 2.482 6.374 -3.671 746 HG22 VAL 96 HG22 VAL 96 1.990 6.465 -5.378 747 HG23 VAL 96 HG23 VAL 96 3.262 5.352 -4.917 748 H TYR 97 H TYR 97 4.801 10.019 -3.102 749 HA TYR 97 HA TYR 97 6.269 11.713 -5.041 750 HB2 TYR 97 HB2 TYR 97 5.494 12.587 -2.237 751 HB3 TYR 97 HB3 TYR 97 6.073 13.568 -3.534 752 HD1 TYR 97 HD2 TYR 97 3.069 11.723 -2.222 753 HD2 TYR 97 HD1 TYR 97 4.582 14.548 -5.124 754 HE1 TYR 97 HE2 TYR 97 0.774 12.390 -2.738 755 HE2 TYR 97 HE1 TYR 97 2.290 15.215 -5.663 756 HH TYR 97 HH TYR 97 0.057 14.784 -5.365 757 H SER 98 H SER 98 8.257 12.616 -3.980 758 HA SER 98 HA SER 98 9.730 10.513 -2.491 759 HB2 SER 98 HB2 SER 98 10.594 11.400 -4.595 760 HB3 SER 98 HB3 SER 98 10.554 13.056 -3.980 761 HG SER 98 HG SER 98 12.281 12.638 -2.775 762 H THR 99 H THR 99 11.015 11.165 -0.648 763 HA THR 99 HA THR 99 9.790 13.415 0.900 764 HB THR 99 HB THR 99 10.804 12.471 2.886 765 HG1 THR 99 HG1 THR 99 11.612 10.202 1.354 766 HG21 THR 99 HG21 THR 99 9.075 10.553 1.337 767 HG22 THR 99 HG22 THR 99 8.602 11.769 2.540 768 HG23 THR 99 HG23 THR 99 9.504 10.325 3.033 769 H ASN 100 H ASN 100 11.353 14.733 2.136 770 HA ASN 100 HA ASN 100 13.427 15.757 0.440 771 HB2 ASN 100 HB2 ASN 100 13.909 17.182 2.530 772 HB3 ASN 100 HB3 ASN 100 12.469 17.493 1.620 773 HD21 ASN 100 HD21 ASN 100 10.335 16.482 2.480 774 HD22 ASN 100 HD22 ASN 100 10.255 16.227 4.222 775 H GLU 101 H GLU 101 14.552 13.745 0.220 776 HA GLU 101 HA GLU 101 16.416 13.118 2.456 777 HB2 GLU 101 HB2 GLU 101 15.849 11.624 -0.132 778 HB3 GLU 101 HB3 GLU 101 17.009 11.119 1.116 779 HG2 GLU 101 HG2 GLU 101 15.106 11.102 2.784 780 HG3 GLU 101 HG3 GLU 101 14.016 11.445 1.443 781 H ASP 102 H ASP 102 16.232 14.195 -0.803 782 HA ASP 102 HA ASP 102 17.652 14.958 -2.354 783 HB2 ASP 102 HB2 ASP 102 18.116 16.747 0.039 784 HB3 ASP 102 HB3 ASP 102 18.700 17.081 -1.596 785 H SER 103 H SER 103 18.639 12.709 -1.121 786 HA SER 103 HA SER 103 21.563 12.849 -1.588 787 HB2 SER 103 HB2 SER 103 20.047 11.112 0.425 788 HB3 SER 103 HB3 SER 103 21.804 11.216 0.209 789 HG SER 103 HG SER 103 20.044 13.261 1.150 790 H ASP 104 H ASP 104 22.010 10.057 -1.684 791 HA ASP 104 HA ASP 104 20.431 9.322 -4.087 792 HB2 ASP 104 HB2 ASP 104 22.950 8.155 -2.878 793 HB3 ASP 104 HB3 ASP 104 22.150 7.554 -4.327 794 H ALA 105 H ALA 105 20.384 8.836 -0.787 795 HA ALA 105 HA ALA 105 19.875 6.318 -0.034 796 HB1 ALA 105 HB1 ALA 105 19.851 8.217 1.489 797 HB2 ALA 105 HB2 ALA 105 18.321 8.805 0.794 798 HB3 ALA 105 HB3 ALA 105 18.356 7.277 1.691 799 H LYS 106 H LYS 106 17.011 8.343 -0.962 800 HA LYS 106 HA LYS 106 15.007 7.751 -1.726 801 HB2 LYS 106 HB2 LYS 106 16.873 7.141 -3.534 802 HB3 LYS 106 HB3 LYS 106 16.227 5.530 -3.371 803 HG2 LYS 106 HG2 LYS 106 14.422 7.935 -3.910 804 HG3 LYS 106 HG3 LYS 106 15.410 7.247 -5.184 805 HD2 LYS 106 HD2 LYS 106 13.392 6.218 -5.512 806 HD3 LYS 106 HD3 LYS 106 14.351 4.998 -4.695 807 HE2 LYS 106 HE2 LYS 106 13.140 5.933 -2.538 808 HE3 LYS 106 HE3 LYS 106 12.021 6.671 -3.675 809 HZ1 LYS 106 HZ1 LYS 106 12.738 3.807 -3.670 810 HZ2 LYS 106 HZ2 LYS 106 11.520 4.511 -4.549 811 HZ3 LYS 106 HZ3 LYS 106 11.455 4.373 -2.862 812 H ASP 107 H ASP 107 15.274 6.753 0.870 813 HA ASP 107 HA ASP 107 14.246 3.940 0.656 814 HB2 ASP 107 HB2 ASP 107 15.581 5.375 2.938 815 HB3 ASP 107 HB3 ASP 107 14.497 3.983 3.165 816 H GLU 108 H GLU 108 13.457 7.255 1.822 817 HA GLU 108 HA GLU 108 10.741 6.139 2.509 818 HB2 GLU 108 HB2 GLU 108 12.475 8.298 3.591 819 HB3 GLU 108 HB3 GLU 108 10.672 8.462 3.729 820 HG2 GLU 108 HG2 GLU 108 10.463 6.446 4.936 821 HG3 GLU 108 HG3 GLU 108 12.182 6.061 4.699 822 H ILE 109 H ILE 109 9.003 6.857 1.612 823 HA ILE 109 HA ILE 109 9.077 9.109 -0.344 824 HB ILE 109 HB ILE 109 7.875 7.759 -1.985 825 HG12 ILE 109 HG12 ILE 109 7.978 5.263 -1.821 826 HG13 ILE 109 HG13 ILE 109 8.290 5.409 -0.082 827 HG21 ILE 109 HG21 ILE 109 10.515 6.485 -1.250 828 HG22 ILE 109 HG22 ILE 109 9.700 6.446 -2.821 829 HG23 ILE 109 HG23 ILE 109 10.286 7.992 -2.168 830 HD11 ILE 109 HD11 ILE 109 5.944 6.849 -1.354 831 HD12 ILE 109 HD12 ILE 109 5.811 5.156 -1.015 832 HD13 ILE 109 HD13 ILE 109 6.130 6.298 0.309 833 H ILE 110 H ILE 110 6.466 9.316 -1.101 834 HA ILE 110 HA ILE 110 4.889 9.214 1.423 835 HB ILE 110 HB ILE 110 4.871 11.524 -0.520 836 HG12 ILE 110 HG12 ILE 110 6.445 11.238 2.065 837 HG13 ILE 110 HG13 ILE 110 7.111 11.421 0.424 838 HG21 ILE 110 HG21 ILE 110 3.868 11.333 2.334 839 HG22 ILE 110 HG22 ILE 110 3.647 12.688 1.214 840 HG23 ILE 110 HG23 ILE 110 2.836 11.149 0.903 841 HD11 ILE 110 HD11 ILE 110 5.908 13.596 0.277 842 HD12 ILE 110 HD12 ILE 110 5.759 13.487 2.060 843 HD13 ILE 110 HD13 ILE 110 7.361 13.473 1.297 844 H VAL 111 H VAL 111 3.130 8.013 1.073 845 HA VAL 111 HA VAL 111 2.054 7.612 -1.642 846 HB VAL 111 HB VAL 111 1.583 6.214 1.009 847 HG11 VAL 111 HG11 VAL 111 0.516 4.439 -0.385 848 HG12 VAL 111 HG12 VAL 111 -0.364 5.931 -0.403 849 HG13 VAL 111 HG13 VAL 111 0.655 5.544 -1.793 850 HG21 VAL 111 HG21 VAL 111 3.828 5.866 0.485 851 HG22 VAL 111 HG22 VAL 111 3.030 4.425 -0.039 852 HG23 VAL 111 HG23 VAL 111 3.484 5.651 -1.241 853 H GLU 112 H GLU 112 -0.042 8.404 -2.082 854 HA GLU 112 HA GLU 112 -1.375 10.001 0.015 855 HB2 GLU 112 HB2 GLU 112 -1.011 10.937 -2.195 856 HB3 GLU 112 HB3 GLU 112 -1.635 9.633 -2.902 857 HG2 GLU 112 HG2 GLU 112 -3.911 10.236 -1.640 858 HG3 GLU 112 HG3 GLU 112 -3.162 11.757 -1.281 859 H PHE 113 H PHE 113 -3.468 9.359 0.834 860 HA PHE 113 HA PHE 113 -4.952 7.153 -0.399 861 HB2 PHE 113 HB2 PHE 113 -3.179 6.250 1.262 862 HB3 PHE 113 HB3 PHE 113 -4.094 7.082 2.508 863 HD1 PHE 113 HD2 PHE 113 -4.918 4.880 -0.445 864 HD2 PHE 113 HD1 PHE 113 -5.362 5.562 3.756 865 HE1 PHE 113 HE2 PHE 113 -6.505 3.043 -0.361 866 HE2 PHE 113 HE1 PHE 113 -7.099 3.814 3.868 867 HZ PHE 113 HZ PHE 113 -7.695 2.546 1.820 868 H ASN 114 H ASN 114 -7.197 7.511 -0.082 869 HA ASN 114 HA ASN 114 -9.090 8.636 0.409 870 HB2 ASN 114 HB2 ASN 114 -8.075 9.042 3.228 871 HB3 ASN 114 HB3 ASN 114 -9.715 9.120 2.695 872 HD21 ASN 114 HD21 ASN 114 -10.726 6.831 1.810 873 HD22 ASN 114 HD22 ASN 114 -10.230 5.574 2.910 874 H ARG 115 H ARG 115 -6.991 10.309 -0.699 875 HA ARG 115 HA ARG 115 -6.662 12.484 -1.248 876 HB2 ARG 115 HB2 ARG 115 -8.861 13.385 0.647 877 HB3 ARG 115 HB3 ARG 115 -8.203 14.230 -0.732 878 HG2 ARG 115 HG2 ARG 115 -9.940 11.731 -0.840 879 HG3 ARG 115 HG3 ARG 115 -10.412 13.387 -1.222 880 HD2 ARG 115 HD2 ARG 115 -8.572 13.376 -3.008 881 HD3 ARG 115 HD3 ARG 115 -8.375 11.650 -2.669 882 HE ARG 115 HE ARG 115 -10.118 11.230 -4.007 883 HH11 ARG 115 HH11 ARG 115 -10.416 14.662 -3.105 884 HH12 ARG 115 HH12 ARG 115 -11.903 14.916 -3.961 885 HH21 ARG 115 HH21 ARG 115 -11.933 11.618 -5.345 886 HH22 ARG 115 HH22 ARG 115 -12.709 13.170 -5.347 887 H GLU 116 H GLU 116 -5.257 11.228 1.187 888 HA GLU 116 HA GLU 116 -4.213 13.768 2.258 889 HB2 GLU 116 HB2 GLU 116 -5.165 11.360 3.838 890 HB3 GLU 116 HB3 GLU 116 -3.993 12.536 4.468 891 HG2 GLU 116 HG2 GLU 116 -5.636 14.340 3.914 892 HG3 GLU 116 HG3 GLU 116 -6.845 13.089 3.542 893 H TYR 117 H TYR 117 -1.986 13.687 2.599 894 HA TYR 117 HA TYR 117 -0.530 11.539 1.207 895 HB2 TYR 117 HB2 TYR 117 0.432 14.196 2.335 896 HB3 TYR 117 HB3 TYR 117 1.353 13.113 1.303 897 HD1 TYR 117 HD1 TYR 117 -0.783 12.413 -0.721 898 HD2 TYR 117 HD2 TYR 117 0.303 16.181 1.026 899 HE1 TYR 117 HE1 TYR 117 -1.758 13.559 -2.691 900 HE2 TYR 117 HE2 TYR 117 -0.796 17.336 -0.910 901 HH TYR 117 HH TYR 117 -2.223 17.095 -2.676 902 H TYR 118 H TYR 118 0.658 10.012 2.179 903 HA TYR 118 HA TYR 118 1.289 10.296 5.095 904 HB2 TYR 118 HB2 TYR 118 0.402 7.841 3.558 905 HB3 TYR 118 HB3 TYR 118 1.039 7.835 5.211 906 HD1 TYR 118 HD1 TYR 118 -1.761 8.906 3.051 907 HD2 TYR 118 HD2 TYR 118 -0.274 8.607 7.090 908 HE1 TYR 118 HE1 TYR 118 -3.924 9.610 3.865 909 HE2 TYR 118 HE2 TYR 118 -2.501 9.248 7.965 910 HH TYR 118 HH TYR 118 -5.284 9.712 5.884 911 H ARG 119 H ARG 119 3.367 10.261 5.521 912 HA ARG 119 HA ARG 119 5.289 9.570 3.451 913 HB2 ARG 119 HB2 ARG 119 5.647 11.412 5.030 914 HB3 ARG 119 HB3 ARG 119 5.796 10.271 6.379 915 HG2 ARG 119 HG2 ARG 119 7.461 9.804 3.912 916 HG3 ARG 119 HG3 ARG 119 7.867 11.223 4.856 917 HD2 ARG 119 HD2 ARG 119 7.545 8.593 6.314 918 HD3 ARG 119 HD3 ARG 119 8.973 8.810 5.311 919 HE ARG 119 HE ARG 119 8.342 10.085 7.830 920 HH11 ARG 119 HH11 ARG 119 10.265 10.413 4.882 921 HH12 ARG 119 HH12 ARG 119 11.444 11.483 5.548 922 HH21 ARG 119 HH21 ARG 119 9.986 11.436 8.806 923 HH22 ARG 119 HH22 ARG 119 11.251 12.083 7.807 924 H ALA 120 H ALA 120 6.153 7.693 3.122 925 HA ALA 120 HA ALA 120 5.670 5.474 5.056 926 HB1 ALA 120 HB1 ALA 120 5.905 5.092 2.071 927 HB2 ALA 120 HB2 ALA 120 5.326 3.969 3.303 928 HB3 ALA 120 HB3 ALA 120 4.355 5.400 2.882 929 H VAL 121 H VAL 121 7.374 3.715 4.891 930 HA VAL 121 HA VAL 121 10.049 4.612 3.908 931 HB VAL 121 HB VAL 121 9.664 4.934 6.322 932 HG11 VAL 121 HG11 VAL 121 9.461 3.277 7.909 933 HG12 VAL 121 HG12 VAL 121 8.060 3.530 6.868 934 HG13 VAL 121 HG13 VAL 121 9.086 2.075 6.636 935 HG21 VAL 121 HG21 VAL 121 11.699 4.099 7.139 936 HG22 VAL 121 HG22 VAL 121 11.576 2.600 6.191 937 HG23 VAL 121 HG23 VAL 121 11.994 4.121 5.400 938 H LEU 122 H LEU 122 11.510 3.016 3.199 939 HA LEU 122 HA LEU 122 10.316 0.732 2.041 940 HB2 LEU 122 HB2 LEU 122 12.306 2.020 1.204 941 HB3 LEU 122 HB3 LEU 122 13.284 1.335 2.502 942 HG LEU 122 HG LEU 122 12.932 -0.947 1.574 943 HD11 LEU 122 HD11 LEU 122 11.234 0.578 -0.397 944 HD12 LEU 122 HD12 LEU 122 10.716 -0.797 0.599 945 HD13 LEU 122 HD13 LEU 122 11.828 -1.059 -0.757 946 HD21 LEU 122 HD21 LEU 122 14.111 -0.717 -0.562 947 HD22 LEU 122 HD22 LEU 122 14.781 0.444 0.579 948 HD23 LEU 122 HD23 LEU 122 13.662 0.993 -0.686 949 H ILE 123 H ILE 123 9.975 -1.328 2.841 950 HA ILE 123 HA ILE 123 10.710 -1.756 5.682 951 HB ILE 123 HB ILE 123 8.943 -3.276 3.730 952 HG12 ILE 123 HG12 ILE 123 8.125 -1.938 6.311 953 HG13 ILE 123 HG13 ILE 123 8.316 -0.940 4.872 954 HG21 ILE 123 HG21 ILE 123 9.581 -3.835 6.672 955 HG22 ILE 123 HG22 ILE 123 8.217 -4.550 5.807 956 HG23 ILE 123 HG23 ILE 123 9.853 -4.932 5.295 957 HD11 ILE 123 HD11 ILE 123 5.962 -1.813 5.240 958 HD12 ILE 123 HD12 ILE 123 6.694 -2.059 3.657 959 HD13 ILE 123 HD13 ILE 123 6.576 -3.413 4.806 960 H LYS 124 H LYS 124 11.030 -3.262 2.477 961 HA LYS 124 HA LYS 124 12.728 -5.419 3.168 962 HB2 LYS 124 HB2 LYS 124 12.834 -5.646 0.751 963 HB3 LYS 124 HB3 LYS 124 11.195 -5.557 1.331 964 HG2 LYS 124 HG2 LYS 124 10.783 -3.542 0.279 965 HG3 LYS 124 HG3 LYS 124 12.459 -2.992 0.394 966 HD2 LYS 124 HD2 LYS 124 11.788 -5.338 -1.368 967 HD3 LYS 124 HD3 LYS 124 11.475 -3.716 -1.940 968 HE2 LYS 124 HE2 LYS 124 13.777 -3.066 -1.733 969 HE3 LYS 124 HE3 LYS 124 14.168 -4.484 -0.757 970 HZ1 LYS 124 HZ1 LYS 124 13.385 -4.757 -3.616 971 HZ2 LYS 124 HZ2 LYS 124 14.025 -5.880 -2.610 972 HZ3 LYS 124 HZ3 LYS 124 14.932 -4.623 -3.124 973 H ASN 125 H ASN 125 13.874 -3.253 4.245 974 HA ASN 125 HA ASN 125 16.551 -2.957 3.015 975 HB2 ASN 125 HB2 ASN 125 15.254 -0.899 2.575 976 HB3 ASN 125 HB3 ASN 125 14.820 -0.788 4.286 977 HD21 ASN 125 HD21 ASN 125 15.802 1.259 4.566 978 HD22 ASN 125 HD22 ASN 125 17.485 1.553 4.289 979 H GLU 126 H GLU 126 14.308 -3.145 5.764 980 HA GLU 126 HA GLU 126 16.517 -3.648 7.656 981 HB2 GLU 126 HB2 GLU 126 15.001 -2.805 9.387 982 HB3 GLU 126 HB3 GLU 126 15.327 -1.580 8.169 983 HG2 GLU 126 HG2 GLU 126 13.110 -1.959 7.158 984 HG3 GLU 126 HG3 GLU 126 12.779 -3.251 8.322 985 H LYS 127 H LYS 127 15.333 -5.004 9.612 986 HA LYS 127 HA LYS 127 13.655 -7.138 8.436 987 HB2 LYS 127 HB2 LYS 127 16.317 -7.633 9.783 988 HB3 LYS 127 HB3 LYS 127 15.008 -8.830 9.689 989 HG2 LYS 127 HG2 LYS 127 14.957 -8.469 7.173 990 HG3 LYS 127 HG3 LYS 127 16.438 -7.550 7.337 991 HD2 LYS 127 HD2 LYS 127 16.014 -10.477 8.043 992 HD3 LYS 127 HD3 LYS 127 16.878 -9.839 6.642 993 HE2 LYS 127 HE2 LYS 127 18.536 -8.771 8.197 994 HE3 LYS 127 HE3 LYS 127 17.683 -9.506 9.563 995 HZ1 LYS 127 HZ1 LYS 127 18.149 -11.674 8.609 996 HZ2 LYS 127 HZ2 LYS 127 19.540 -10.827 8.907 997 HZ3 LYS 127 HZ3 LYS 127 18.972 -10.983 7.357 998 H GLU 128 H GLU 128 12.074 -5.836 9.454 999 HA GLU 128 HA GLU 128 11.776 -6.598 12.263 1000 HB2 GLU 128 HB2 GLU 128 12.608 -4.196 12.141 1001 HB3 GLU 128 HB3 GLU 128 11.141 -3.793 11.248 1002 HG2 GLU 128 HG2 GLU 128 10.821 -3.244 13.594 1003 HG3 GLU 128 HG3 GLU 128 9.770 -4.600 13.194 Start of MODEL 4 1 H1 GLY 1 H GLY 1 25.555 -35.734 0.507 2 HA2 GLY 1 HA2 GLY 1 25.891 -35.684 -1.958 3 HA3 GLY 1 HA3 GLY 1 26.369 -33.974 -1.742 4 H SER 2 H SER 2 28.573 -33.754 -1.783 5 HA SER 2 HA SER 2 30.250 -35.414 -0.081 6 HB2 SER 2 HB2 SER 2 30.254 -36.635 -2.250 7 HB3 SER 2 HB3 SER 2 30.701 -35.145 -3.100 8 HG SER 2 HG SER 2 32.468 -36.607 -2.516 9 H THR 3 H THR 3 31.851 -33.477 -2.479 10 HA THR 3 HA THR 3 32.180 -31.292 -0.611 11 HB THR 3 HB THR 3 33.574 -30.504 -2.701 12 HG1 THR 3 HG1 THR 3 34.087 -32.192 -4.112 13 HG21 THR 3 HG21 THR 3 35.429 -32.021 -2.122 14 HG22 THR 3 HG22 THR 3 34.299 -33.120 -1.301 15 HG23 THR 3 HG23 THR 3 34.584 -31.489 -0.659 16 H MET 4 H MET 4 31.945 -28.997 -1.545 17 HA MET 4 HA MET 4 29.672 -28.629 -3.372 18 HB2 MET 4 HB2 MET 4 29.872 -27.538 -0.522 19 HB3 MET 4 HB3 MET 4 28.861 -26.820 -1.761 20 HG2 MET 4 HG2 MET 4 27.353 -28.111 -0.645 21 HG3 MET 4 HG3 MET 4 27.737 -29.072 -2.060 22 HE1 MET 4 HE1 MET 4 29.726 -28.690 1.439 23 HE2 MET 4 HE2 MET 4 27.993 -28.705 1.853 24 HE3 MET 4 HE3 MET 4 29.029 -30.078 2.298 25 H HIS 5 H HIS 5 29.551 -26.092 -3.711 26 HA HIS 5 HA HIS 5 32.236 -24.860 -3.832 27 HB2 HIS 5 HB2 HIS 5 30.183 -25.026 -6.090 28 HB3 HIS 5 HB3 HIS 5 31.668 -24.083 -6.131 29 HD1 HIS 5 HD1 HIS 5 33.055 -27.023 -4.717 30 HD2 HIS 5 HD2 HIS 5 31.300 -26.083 -8.433 31 HE1 HIS 5 HE1 HIS 5 33.975 -28.704 -6.421 32 H PHE 6 H PHE 6 31.623 -22.418 -4.752 33 HA PHE 6 HA PHE 6 29.891 -21.324 -2.653 34 HB2 PHE 6 HB2 PHE 6 31.536 -20.079 -4.898 35 HB3 PHE 6 HB3 PHE 6 30.501 -19.146 -3.832 36 HD1 PHE 6 HD2 PHE 6 30.945 -18.972 -1.394 37 HD2 PHE 6 HD1 PHE 6 33.703 -20.931 -4.077 38 HE1 PHE 6 HE2 PHE 6 32.711 -18.857 0.336 39 HE2 PHE 6 HE1 PHE 6 35.470 -20.812 -2.338 40 HZ PHE 6 HZ PHE 6 34.978 -19.775 -0.128 41 H THR 7 H THR 7 28.028 -19.955 -3.159 42 HA THR 7 HA THR 7 26.738 -20.433 -5.766 43 HB THR 7 HB THR 7 24.606 -20.672 -4.354 44 HG1 THR 7 HG1 THR 7 25.006 -21.487 -2.250 45 HG21 THR 7 HG21 THR 7 25.715 -22.596 -5.507 46 HG22 THR 7 HG22 THR 7 24.904 -23.061 -4.006 47 HG23 THR 7 HG23 THR 7 26.670 -22.896 -4.039 48 H ASP 8 H ASP 8 24.594 -18.874 -5.611 49 HA ASP 8 HA ASP 8 25.717 -16.179 -5.005 50 HB2 ASP 8 HB2 ASP 8 24.065 -17.333 -7.222 51 HB3 ASP 8 HB3 ASP 8 23.619 -15.724 -6.670 52 H ASP 9 H ASP 9 24.325 -14.588 -4.170 53 HA ASP 9 HA ASP 9 22.388 -15.603 -2.221 54 HB2 ASP 9 HB2 ASP 9 23.623 -12.901 -2.881 55 HB3 ASP 9 HB3 ASP 9 22.167 -12.975 -1.896 56 H ASN 10 H ASN 10 20.192 -14.389 -2.084 57 HA ASN 10 HA ASN 10 19.075 -13.955 -4.794 58 HB2 ASN 10 HB2 ASN 10 17.164 -15.153 -4.269 59 HB3 ASN 10 HB3 ASN 10 18.500 -16.207 -3.848 60 HD21 ASN 10 HD21 ASN 10 15.923 -16.771 -2.962 61 HD22 ASN 10 HD22 ASN 10 15.833 -16.472 -1.249 62 H GLU 11 H GLU 11 16.874 -12.836 -4.569 63 HA GLU 11 HA GLU 11 17.394 -10.303 -3.192 64 HB2 GLU 11 HB2 GLU 11 15.332 -11.338 -5.156 65 HB3 GLU 11 HB3 GLU 11 15.012 -9.882 -4.223 66 HG2 GLU 11 HG2 GLU 11 15.950 -9.351 -6.423 67 HG3 GLU 11 HG3 GLU 11 16.909 -8.729 -5.079 68 H ASN 12 H ASN 12 15.298 -9.338 -2.101 69 HA ASN 12 HA ASN 12 13.973 -11.255 -0.275 70 HB2 ASN 12 HB2 ASN 12 14.622 -9.840 1.652 71 HB3 ASN 12 HB3 ASN 12 15.992 -10.619 0.893 72 HD21 ASN 12 HD21 ASN 12 17.716 -9.317 0.362 73 HD22 ASN 12 HD22 ASN 12 17.660 -7.593 0.697 74 H ASP 13 H ASP 13 13.111 -9.713 -2.614 75 HA ASP 13 HA ASP 13 11.748 -7.327 -1.907 76 HB2 ASP 13 HB2 ASP 13 11.171 -9.274 -4.191 77 HB3 ASP 13 HB3 ASP 13 10.578 -7.624 -4.070 78 H THR 14 H THR 14 9.192 -7.322 -2.544 79 HA THR 14 HA THR 14 7.996 -9.200 -0.577 80 HB THR 14 HB THR 14 7.674 -6.731 -0.199 81 HG1 THR 14 HG1 THR 14 5.301 -7.265 0.090 82 HG21 THR 14 HG21 THR 14 5.850 -6.899 -2.644 83 HG22 THR 14 HG22 THR 14 7.296 -5.891 -2.471 84 HG23 THR 14 HG23 THR 14 5.873 -5.597 -1.467 85 H SER 15 H SER 15 7.925 -8.124 -3.931 86 HA SER 15 HA SER 15 6.849 -8.764 -5.759 87 HB2 SER 15 HB2 SER 15 7.134 -11.198 -6.295 88 HB3 SER 15 HB3 SER 15 8.578 -10.312 -5.799 89 HG SER 15 HG SER 15 8.843 -11.853 -4.421 90 H GLU 16 H GLU 16 5.092 -8.180 -3.635 91 HA GLU 16 HA GLU 16 2.704 -9.784 -4.301 92 HB2 GLU 16 HB2 GLU 16 1.950 -9.620 -2.173 93 HB3 GLU 16 HB3 GLU 16 3.702 -9.660 -1.912 94 HG2 GLU 16 HG2 GLU 16 3.740 -7.237 -1.598 95 HG3 GLU 16 HG3 GLU 16 1.971 -7.218 -1.682 96 H THR 17 H THR 17 0.658 -8.369 -4.172 97 HA THR 17 HA THR 17 1.165 -5.773 -5.534 98 HB THR 17 HB THR 17 0.323 -7.609 -6.958 99 HG1 THR 17 HG1 THR 17 -1.187 -6.497 -7.939 100 HG21 THR 17 HG21 THR 17 -1.980 -7.661 -4.976 101 HG22 THR 17 HG22 THR 17 -0.902 -8.984 -5.460 102 HG23 THR 17 HG23 THR 17 -2.080 -8.347 -6.599 103 H MET 18 H MET 18 -0.794 -4.243 -5.249 104 HA MET 18 HA MET 18 -1.175 -3.669 -2.519 105 HB2 MET 18 HB2 MET 18 -2.536 -2.826 -5.100 106 HB3 MET 18 HB3 MET 18 -3.171 -2.270 -3.555 107 HG2 MET 18 HG2 MET 18 -0.242 -2.012 -3.748 108 HG3 MET 18 HG3 MET 18 -1.077 -1.088 -4.970 109 HE1 MET 18 HE1 MET 18 -1.187 -1.903 -1.142 110 HE2 MET 18 HE2 MET 18 -2.004 -0.471 -0.483 111 HE3 MET 18 HE3 MET 18 -2.915 -1.623 -1.465 112 H GLU 19 H GLU 19 -3.180 -5.651 -4.744 113 HA GLU 19 HA GLU 19 -5.405 -5.864 -2.972 114 HB2 GLU 19 HB2 GLU 19 -4.426 -7.584 -5.268 115 HB3 GLU 19 HB3 GLU 19 -5.751 -8.113 -4.221 116 HG2 GLU 19 HG2 GLU 19 -6.796 -5.774 -4.670 117 HG3 GLU 19 HG3 GLU 19 -5.646 -5.678 -6.006 118 H SER 20 H SER 20 -2.368 -7.887 -3.175 119 HA SER 20 HA SER 20 -3.228 -9.859 -1.374 120 HB2 SER 20 HB2 SER 20 -0.381 -8.799 -1.624 121 HB3 SER 20 HB3 SER 20 -0.932 -10.424 -1.160 122 HG SER 20 HG SER 20 -0.342 -10.595 -3.241 123 H LEU 21 H LEU 21 -1.961 -6.591 -0.846 124 HA LEU 21 HA LEU 21 -1.409 -6.970 1.966 125 HB2 LEU 21 HB2 LEU 21 -2.151 -4.369 0.524 126 HB3 LEU 21 HB3 LEU 21 -1.404 -4.516 2.094 127 HG LEU 21 HG LEU 21 -0.240 -4.931 -0.656 128 HD11 LEU 21 HD11 LEU 21 1.358 -3.315 0.161 129 HD12 LEU 21 HD12 LEU 21 0.758 -3.474 1.824 130 HD13 LEU 21 HD13 LEU 21 -0.291 -2.771 0.583 131 HD21 LEU 21 HD21 LEU 21 1.853 -5.701 0.469 132 HD22 LEU 21 HD22 LEU 21 0.520 -6.889 0.435 133 HD23 LEU 21 HD23 LEU 21 0.895 -6.026 1.948 134 H ILE 22 H ILE 22 -4.053 -5.335 0.224 135 HA ILE 22 HA ILE 22 -5.672 -4.805 2.449 136 HB ILE 22 HB ILE 22 -6.386 -5.411 -0.472 137 HG12 ILE 22 HG12 ILE 22 -6.106 -2.650 0.793 138 HG13 ILE 22 HG13 ILE 22 -4.740 -3.448 0.040 139 HG21 ILE 22 HG21 ILE 22 -8.347 -5.603 0.893 140 HG22 ILE 22 HG22 ILE 22 -7.966 -4.104 1.758 141 HG23 ILE 22 HG23 ILE 22 -8.462 -4.067 0.034 142 HD11 ILE 22 HD11 ILE 22 -5.659 -2.117 -1.650 143 HD12 ILE 22 HD12 ILE 22 -6.138 -3.762 -2.059 144 HD13 ILE 22 HD13 ILE 22 -7.320 -2.661 -1.325 145 H ASP 23 H ASP 23 -5.652 -7.650 0.257 146 HA ASP 23 HA ASP 23 -7.855 -9.060 1.160 147 HB2 ASP 23 HB2 ASP 23 -6.631 -9.609 -0.849 148 HB3 ASP 23 HB3 ASP 23 -5.163 -9.960 0.078 149 H LYS 24 H LYS 24 -4.629 -8.828 2.599 150 HA LYS 24 HA LYS 24 -5.389 -10.847 4.675 151 HB2 LYS 24 HB2 LYS 24 -3.203 -11.285 4.890 152 HB3 LYS 24 HB3 LYS 24 -3.038 -10.459 3.364 153 HG2 LYS 24 HG2 LYS 24 -1.420 -9.361 4.481 154 HG3 LYS 24 HG3 LYS 24 -2.719 -8.292 4.881 155 HD2 LYS 24 HD2 LYS 24 -2.738 -10.376 6.896 156 HD3 LYS 24 HD3 LYS 24 -1.065 -9.903 6.658 157 HE2 LYS 24 HE2 LYS 24 -1.342 -8.044 7.879 158 HE3 LYS 24 HE3 LYS 24 -2.676 -7.508 6.854 159 HZ1 LYS 24 HZ1 LYS 24 -4.162 -8.848 8.203 160 HZ2 LYS 24 HZ2 LYS 24 -3.399 -7.717 9.102 161 HZ3 LYS 24 HZ3 LYS 24 -2.921 -9.297 9.179 162 H GLY 25 H GLY 25 -5.412 -7.441 4.227 163 HA2 GLY 25 HA2 GLY 25 -6.448 -5.955 5.727 164 HA3 GLY 25 HA3 GLY 25 -6.114 -7.020 7.076 165 H LYS 26 H LYS 26 -3.873 -5.821 4.532 166 HA LYS 26 HA LYS 26 -2.111 -4.640 6.648 167 HB2 LYS 26 HB2 LYS 26 -1.568 -5.786 3.916 168 HB3 LYS 26 HB3 LYS 26 -0.544 -4.474 4.507 169 HG2 LYS 26 HG2 LYS 26 -0.059 -5.832 6.536 170 HG3 LYS 26 HG3 LYS 26 -0.920 -7.168 5.784 171 HD2 LYS 26 HD2 LYS 26 1.340 -5.881 4.277 172 HD3 LYS 26 HD3 LYS 26 1.659 -6.993 5.611 173 HE2 LYS 26 HE2 LYS 26 0.396 -8.757 4.607 174 HE3 LYS 26 HE3 LYS 26 -0.066 -7.755 3.219 175 HZ1 LYS 26 HZ1 LYS 26 1.962 -8.207 2.276 176 HZ2 LYS 26 HZ2 LYS 26 1.986 -9.427 3.345 177 HZ3 LYS 26 HZ3 LYS 26 2.781 -8.037 3.698 178 H LEU 27 H LEU 27 -3.777 -2.929 6.813 179 HA LEU 27 HA LEU 27 -3.912 -1.058 4.507 180 HB2 LEU 27 HB2 LEU 27 -5.490 -0.967 7.097 181 HB3 LEU 27 HB3 LEU 27 -5.649 0.084 5.709 182 HG LEU 27 HG LEU 27 -7.463 -1.324 5.581 183 HD11 LEU 27 HD11 LEU 27 -6.319 -0.953 3.390 184 HD12 LEU 27 HD12 LEU 27 -7.213 -2.489 3.455 185 HD13 LEU 27 HD13 LEU 27 -5.446 -2.485 3.609 186 HD21 LEU 27 HD21 LEU 27 -5.711 -3.762 5.561 187 HD22 LEU 27 HD22 LEU 27 -7.470 -3.695 5.677 188 HD23 LEU 27 HD23 LEU 27 -6.458 -3.157 7.044 189 H ASP 28 H ASP 28 -1.672 -1.519 6.675 190 HA ASP 28 HA ASP 28 -1.144 1.393 7.211 191 HB2 ASP 28 HB2 ASP 28 -0.695 -1.039 8.885 192 HB3 ASP 28 HB3 ASP 28 0.552 0.200 8.926 193 H GLN 29 H GLN 29 -0.401 -0.747 4.895 194 HA GLN 29 HA GLN 29 2.125 0.544 4.317 195 HB2 GLN 29 HB2 GLN 29 3.356 -1.613 3.972 196 HB3 GLN 29 HB3 GLN 29 3.017 -1.170 5.635 197 HG2 GLN 29 HG2 GLN 29 0.941 -2.780 5.309 198 HG3 GLN 29 HG3 GLN 29 1.972 -3.479 4.055 199 HE21 GLN 29 HE21 GLN 29 4.528 -3.075 5.474 200 HE22 GLN 29 HE22 GLN 29 4.471 -4.007 6.959 201 H VAL 30 H VAL 30 2.719 0.189 2.051 202 HA VAL 30 HA VAL 30 0.574 -0.977 0.310 203 HB VAL 30 HB VAL 30 0.545 0.944 -1.106 204 HG11 VAL 30 HG11 VAL 30 -1.021 0.895 0.870 205 HG12 VAL 30 HG12 VAL 30 0.100 1.962 1.727 206 HG13 VAL 30 HG13 VAL 30 -0.677 2.505 0.229 207 HG21 VAL 30 HG21 VAL 30 1.691 2.960 -0.682 208 HG22 VAL 30 HG22 VAL 30 2.327 2.386 0.890 209 HG23 VAL 30 HG23 VAL 30 2.906 1.718 -0.654 210 H VAL 31 H VAL 31 1.323 -1.042 -2.132 211 HA VAL 31 HA VAL 31 4.214 -1.376 -2.194 212 HB VAL 31 HB VAL 31 4.292 -3.204 -3.406 213 HG11 VAL 31 HG11 VAL 31 3.311 -4.954 -2.425 214 HG12 VAL 31 HG12 VAL 31 3.374 -3.669 -1.224 215 HG13 VAL 31 HG13 VAL 31 1.813 -4.056 -2.009 216 HG21 VAL 31 HG21 VAL 31 3.110 -2.813 -5.294 217 HG22 VAL 31 HG22 VAL 31 2.691 -4.403 -4.659 218 HG23 VAL 31 HG23 VAL 31 1.527 -3.061 -4.478 219 H TYR 32 H TYR 32 5.214 -0.965 -4.183 220 HA TYR 32 HA TYR 32 3.868 0.162 -6.485 221 HB2 TYR 32 HB2 TYR 32 3.660 2.218 -5.236 222 HB3 TYR 32 HB3 TYR 32 5.240 1.972 -4.523 223 HD1 TYR 32 HD1 TYR 32 4.133 2.088 -8.160 224 HD2 TYR 32 HD2 TYR 32 6.716 3.610 -5.106 225 HE1 TYR 32 HE1 TYR 32 5.348 3.409 -9.821 226 HE2 TYR 32 HE2 TYR 32 8.090 4.827 -6.761 227 HH TYR 32 HH TYR 32 7.328 4.473 -10.288 228 H ASP 33 H ASP 33 5.258 -0.160 -8.169 229 HA ASP 33 HA ASP 33 7.004 -1.004 -9.313 230 HB2 ASP 33 HB2 ASP 33 7.595 1.404 -8.606 231 HB3 ASP 33 HB3 ASP 33 8.736 0.686 -7.479 232 H ASP 34 H ASP 34 6.170 -2.611 -7.149 233 HA ASP 34 HA ASP 34 6.537 -4.610 -6.238 234 HB2 ASP 34 HB2 ASP 34 8.364 -4.715 -8.205 235 HB3 ASP 34 HB3 ASP 34 9.480 -4.746 -6.817 236 H GLN 35 H GLN 35 7.510 -1.925 -5.028 237 HA GLN 35 HA GLN 35 9.285 -2.931 -2.899 238 HB2 GLN 35 HB2 GLN 35 8.483 -0.078 -3.466 239 HB3 GLN 35 HB3 GLN 35 9.780 -0.660 -2.429 240 HG2 GLN 35 HG2 GLN 35 9.667 -0.614 -5.448 241 HG3 GLN 35 HG3 GLN 35 10.840 0.076 -4.378 242 HE21 GLN 35 HE21 GLN 35 12.275 -1.351 -3.294 243 HE22 GLN 35 HE22 GLN 35 12.819 -2.802 -4.183 244 H LEU 36 H LEU 36 8.784 -2.266 -0.755 245 HA LEU 36 HA LEU 36 5.830 -2.205 -0.248 246 HB2 LEU 36 HB2 LEU 36 7.027 -4.455 0.050 247 HB3 LEU 36 HB3 LEU 36 7.870 -3.737 1.404 248 HG LEU 36 HG LEU 36 5.716 -3.383 2.571 249 HD11 LEU 36 HD11 LEU 36 4.412 -4.830 0.254 250 HD12 LEU 36 HD12 LEU 36 4.150 -3.118 0.704 251 HD13 LEU 36 HD13 LEU 36 3.635 -4.399 1.788 252 HD21 LEU 36 HD21 LEU 36 6.602 -5.365 3.207 253 HD22 LEU 36 HD22 LEU 36 6.648 -6.054 1.574 254 HD23 LEU 36 HD23 LEU 36 5.129 -6.011 2.441 255 H TYR 37 H TYR 37 5.307 -0.411 0.840 256 HA TYR 37 HA TYR 37 7.450 0.790 2.479 257 HB2 TYR 37 HB2 TYR 37 5.185 2.383 1.299 258 HB3 TYR 37 HB3 TYR 37 6.732 2.941 1.937 259 HD1 TYR 37 HD1 TYR 37 8.810 1.559 0.583 260 HD2 TYR 37 HD2 TYR 37 5.035 3.007 -0.901 261 HE1 TYR 37 HE1 TYR 37 9.790 1.779 -1.676 262 HE2 TYR 37 HE2 TYR 37 6.028 3.309 -3.117 263 HH TYR 37 HH TYR 37 9.484 2.647 -3.782 264 H HIS 38 H HIS 38 7.022 1.220 4.550 265 HA HIS 38 HA HIS 38 4.465 0.470 5.739 266 HB2 HIS 38 HB2 HIS 38 7.261 0.361 6.419 267 HB3 HIS 38 HB3 HIS 38 6.595 1.537 7.484 268 HD1 HIS 38 HD1 HIS 38 7.577 -1.059 8.835 269 HD2 HIS 38 HD2 HIS 38 3.593 -0.282 7.531 270 HE1 HIS 38 HE1 HIS 38 6.055 -2.495 10.234 271 H LEU 39 H LEU 39 2.990 2.089 6.352 272 HA LEU 39 HA LEU 39 3.705 4.882 5.855 273 HB2 LEU 39 HB2 LEU 39 1.269 3.712 7.244 274 HB3 LEU 39 HB3 LEU 39 1.413 5.323 6.542 275 HG LEU 39 HG LEU 39 1.403 2.667 5.042 276 HD11 LEU 39 HD11 LEU 39 -0.765 3.482 5.966 277 HD12 LEU 39 HD12 LEU 39 -0.713 3.353 4.208 278 HD13 LEU 39 HD13 LEU 39 -0.590 4.956 4.980 279 HD21 LEU 39 HD21 LEU 39 1.251 4.090 2.966 280 HD22 LEU 39 HD22 LEU 39 2.825 4.066 3.754 281 HD23 LEU 39 HD23 LEU 39 1.758 5.482 3.948 282 H LYS 40 H LYS 40 4.478 6.322 7.409 283 HA LYS 40 HA LYS 40 4.736 5.281 10.215 284 HB2 LYS 40 HB2 LYS 40 6.344 7.526 8.934 285 HB3 LYS 40 HB3 LYS 40 6.591 6.785 10.509 286 HG2 LYS 40 HG2 LYS 40 6.983 5.496 7.799 287 HG3 LYS 40 HG3 LYS 40 8.259 6.074 8.851 288 HD2 LYS 40 HD2 LYS 40 6.524 4.050 10.184 289 HD3 LYS 40 HD3 LYS 40 7.261 3.501 8.704 290 HE2 LYS 40 HE2 LYS 40 8.830 2.869 10.286 291 HE3 LYS 40 HE3 LYS 40 9.507 4.346 9.608 292 HZ1 LYS 40 HZ1 LYS 40 9.715 4.378 11.926 293 HZ2 LYS 40 HZ2 LYS 40 8.112 4.077 12.185 294 HZ3 LYS 40 HZ3 LYS 40 8.617 5.527 11.556 295 H GLU 41 H GLU 41 4.292 8.272 8.385 296 HA GLU 41 HA GLU 41 2.272 9.179 10.380 297 HB2 GLU 41 HB2 GLU 41 3.375 11.274 10.841 298 HB3 GLU 41 HB3 GLU 41 4.538 9.987 11.133 299 HG2 GLU 41 HG2 GLU 41 5.427 10.411 8.783 300 HG3 GLU 41 HG3 GLU 41 4.406 11.840 8.723 301 H LYS 42 H LYS 42 1.462 11.499 9.671 302 HA LYS 42 HA LYS 42 0.697 11.401 6.823 303 HB2 LYS 42 HB2 LYS 42 -0.903 11.463 9.012 304 HB3 LYS 42 HB3 LYS 42 -0.578 13.184 8.913 305 HG2 LYS 42 HG2 LYS 42 -1.689 11.476 6.671 306 HG3 LYS 42 HG3 LYS 42 -2.706 12.373 7.789 307 HD2 LYS 42 HD2 LYS 42 -0.668 13.622 5.965 308 HD3 LYS 42 HD3 LYS 42 -2.292 13.289 5.450 309 HE2 LYS 42 HE2 LYS 42 -3.127 14.848 7.224 310 HE3 LYS 42 HE3 LYS 42 -1.427 15.210 7.621 311 HZ1 LYS 42 HZ1 LYS 42 -1.217 15.767 5.166 312 HZ2 LYS 42 HZ2 LYS 42 -2.099 16.844 6.034 313 HZ3 LYS 42 HZ3 LYS 42 -2.855 15.736 5.085 314 H VAL 43 H VAL 43 1.176 13.294 5.616 315 HA VAL 43 HA VAL 43 2.677 15.469 6.993 316 HB VAL 43 HB VAL 43 4.377 15.490 5.253 317 HG11 VAL 43 HG11 VAL 43 5.695 13.610 5.927 318 HG12 VAL 43 HG12 VAL 43 4.783 14.170 7.335 319 HG13 VAL 43 HG13 VAL 43 4.266 12.707 6.462 320 HG21 VAL 43 HG21 VAL 43 4.668 13.591 3.718 321 HG22 VAL 43 HG22 VAL 43 3.082 12.950 4.188 322 HG23 VAL 43 HG23 VAL 43 3.207 14.526 3.365 323 H ASP 44 H ASP 44 2.900 17.417 5.471 324 HA ASP 44 HA ASP 44 0.290 17.790 4.113 325 HB2 ASP 44 HB2 ASP 44 1.490 19.526 5.784 326 HB3 ASP 44 HB3 ASP 44 2.271 19.981 4.254 327 H GLU 45 H GLU 45 0.509 19.218 2.109 328 HA GLU 45 HA GLU 45 1.815 17.688 0.063 329 HB2 GLU 45 HB2 GLU 45 0.768 19.039 -1.471 330 HB3 GLU 45 HB3 GLU 45 -0.390 18.612 -0.220 331 HG2 GLU 45 HG2 GLU 45 -0.807 20.757 0.213 332 HG3 GLU 45 HG3 GLU 45 0.871 21.162 0.490 333 H ASP 46 H ASP 46 2.739 20.395 2.017 334 HA ASP 46 HA ASP 46 4.646 21.433 -0.008 335 HB2 ASP 46 HB2 ASP 46 4.986 23.221 1.366 336 HB3 ASP 46 HB3 ASP 46 3.285 22.828 1.638 337 H LYS 47 H LYS 47 4.609 18.990 2.173 338 HA LYS 47 HA LYS 47 7.427 19.165 3.034 339 HB2 LYS 47 HB2 LYS 47 5.645 16.730 3.358 340 HB3 LYS 47 HB3 LYS 47 7.047 17.222 4.314 341 HG2 LYS 47 HG2 LYS 47 4.287 18.464 4.315 342 HG3 LYS 47 HG3 LYS 47 5.053 17.576 5.625 343 HD2 LYS 47 HD2 LYS 47 6.855 19.459 5.586 344 HD3 LYS 47 HD3 LYS 47 5.684 20.305 4.558 345 HE2 LYS 47 HE2 LYS 47 5.516 21.125 6.784 346 HE3 LYS 47 HE3 LYS 47 4.021 20.322 6.328 347 HZ1 LYS 47 HZ1 LYS 47 5.069 19.918 8.608 348 HZ2 LYS 47 HZ2 LYS 47 6.087 18.869 7.873 349 HZ3 LYS 47 HZ3 LYS 47 4.453 18.618 7.815 350 H LYS 48 H LYS 48 5.607 17.665 0.430 351 HA LYS 48 HA LYS 48 7.580 15.697 -0.274 352 HB2 LYS 48 HB2 LYS 48 6.580 15.651 -2.490 353 HB3 LYS 48 HB3 LYS 48 5.350 15.668 -1.275 354 HG2 LYS 48 HG2 LYS 48 5.324 18.275 -1.766 355 HG3 LYS 48 HG3 LYS 48 6.189 17.848 -3.218 356 HD2 LYS 48 HD2 LYS 48 4.433 16.492 -4.036 357 HD3 LYS 48 HD3 LYS 48 3.567 16.479 -2.508 358 HE2 LYS 48 HE2 LYS 48 2.459 17.782 -4.263 359 HE3 LYS 48 HE3 LYS 48 2.826 18.756 -2.849 360 HZ1 LYS 48 HZ1 LYS 48 4.690 18.780 -5.134 361 HZ2 LYS 48 HZ2 LYS 48 4.415 19.925 -3.974 362 HZ3 LYS 48 HZ3 LYS 48 3.309 19.676 -5.143 363 H GLY 49 H GLY 49 9.191 15.613 -1.821 364 HA2 GLY 49 HA2 GLY 49 10.499 18.212 -2.463 365 HA3 GLY 49 HA3 GLY 49 11.216 16.603 -2.569 366 H LYS 50 H LYS 50 9.119 15.278 -4.049 367 HA LYS 50 HA LYS 50 8.329 16.603 -6.448 368 HB2 LYS 50 HB2 LYS 50 9.950 15.309 -7.920 369 HB3 LYS 50 HB3 LYS 50 10.691 16.615 -7.008 370 HG2 LYS 50 HG2 LYS 50 11.470 14.913 -5.293 371 HG3 LYS 50 HG3 LYS 50 10.870 13.630 -6.358 372 HD2 LYS 50 HD2 LYS 50 12.900 15.738 -7.212 373 HD3 LYS 50 HD3 LYS 50 13.360 14.235 -6.409 374 HE2 LYS 50 HE2 LYS 50 12.526 12.872 -8.190 375 HE3 LYS 50 HE3 LYS 50 11.753 14.260 -8.986 376 HZ1 LYS 50 HZ1 LYS 50 14.659 14.199 -8.506 377 HZ2 LYS 50 HZ2 LYS 50 13.814 15.165 -9.499 378 HZ3 LYS 50 HZ3 LYS 50 14.001 13.555 -9.872 379 H VAL 51 H VAL 51 7.471 14.946 -8.004 380 HA VAL 51 HA VAL 51 6.229 12.673 -6.573 381 HB VAL 51 HB VAL 51 5.873 14.033 -9.255 382 HG11 VAL 51 HG11 VAL 51 4.263 12.357 -9.971 383 HG12 VAL 51 HG12 VAL 51 5.852 11.634 -9.851 384 HG13 VAL 51 HG13 VAL 51 4.646 11.326 -8.572 385 HG21 VAL 51 HG21 VAL 51 3.520 14.085 -8.481 386 HG22 VAL 51 HG22 VAL 51 3.968 13.163 -7.053 387 HG23 VAL 51 HG23 VAL 51 4.600 14.821 -7.287 388 H ILE 52 H ILE 52 6.551 10.525 -7.323 389 HA ILE 52 HA ILE 52 8.944 10.055 -9.024 390 HB ILE 52 HB ILE 52 9.693 8.300 -7.408 391 HG12 ILE 52 HG12 ILE 52 7.689 9.623 -5.522 392 HG13 ILE 52 HG13 ILE 52 7.622 7.972 -6.156 393 HG21 ILE 52 HG21 ILE 52 9.716 11.098 -6.206 394 HG22 ILE 52 HG22 ILE 52 10.946 9.825 -6.049 395 HG23 ILE 52 HG23 ILE 52 10.698 10.612 -7.606 396 HD11 ILE 52 HD11 ILE 52 8.449 7.924 -3.945 397 HD12 ILE 52 HD12 ILE 52 9.808 7.511 -5.021 398 HD13 ILE 52 HD13 ILE 52 9.698 9.124 -4.263 399 H GLY 53 H GLY 53 5.735 9.078 -7.968 400 HA2 GLY 53 HA2 GLY 53 5.359 7.449 -10.266 401 HA3 GLY 53 HA3 GLY 53 5.672 6.431 -8.842 402 H ALA 54 H ALA 54 3.246 5.840 -9.455 403 HA ALA 54 HA ALA 54 1.558 7.319 -7.632 404 HB1 ALA 54 HB1 ALA 54 1.263 8.337 -9.976 405 HB2 ALA 54 HB2 ALA 54 0.721 6.750 -10.525 406 HB3 ALA 54 HB3 ALA 54 -0.212 7.629 -9.300 407 H ILE 55 H ILE 55 -0.016 5.974 -6.607 408 HA ILE 55 HA ILE 55 0.245 3.106 -7.200 409 HB ILE 55 HB ILE 55 -1.384 4.649 -5.161 410 HG12 ILE 55 HG12 ILE 55 1.043 2.828 -4.797 411 HG13 ILE 55 HG13 ILE 55 1.106 4.587 -4.833 412 HG21 ILE 55 HG21 ILE 55 -1.856 2.457 -4.145 413 HG22 ILE 55 HG22 ILE 55 -2.592 2.655 -5.721 414 HG23 ILE 55 HG23 ILE 55 -1.127 1.648 -5.544 415 HD11 ILE 55 HD11 ILE 55 -0.587 4.583 -2.908 416 HD12 ILE 55 HD12 ILE 55 -0.186 2.851 -2.722 417 HD13 ILE 55 HD13 ILE 55 1.072 4.083 -2.563 418 H GLY 56 H GLY 56 -2.439 5.495 -7.014 419 HA2 GLY 56 HA2 GLY 56 -4.419 5.699 -8.056 420 HA3 GLY 56 HA3 GLY 56 -3.564 5.180 -9.509 421 H GLN 57 H GLN 57 -4.815 3.503 -6.534 422 HA GLN 57 HA GLN 57 -6.268 1.610 -8.317 423 HB2 GLN 57 HB2 GLN 57 -4.722 0.846 -5.798 424 HB3 GLN 57 HB3 GLN 57 -5.656 -0.210 -6.859 425 HG2 GLN 57 HG2 GLN 57 -4.057 0.598 -8.738 426 HG3 GLN 57 HG3 GLN 57 -3.035 1.196 -7.438 427 HE21 GLN 57 HE21 GLN 57 -1.222 -0.298 -7.179 428 HE22 GLN 57 HE22 GLN 57 -1.514 -2.012 -7.158 429 H THR 58 H THR 58 -8.233 0.746 -7.415 430 HA THR 58 HA THR 58 -9.238 2.051 -4.942 431 HB THR 58 HB THR 58 -11.073 1.676 -7.309 432 HG1 THR 58 HG1 THR 58 -9.678 2.950 -8.244 433 HG21 THR 58 HG21 THR 58 -10.958 3.426 -4.829 434 HG22 THR 58 HG22 THR 58 -12.142 2.158 -5.235 435 HG23 THR 58 HG23 THR 58 -12.148 3.686 -6.103 436 H PHE 59 H PHE 59 -9.978 0.524 -3.535 437 HA PHE 59 HA PHE 59 -11.227 -1.970 -4.571 438 HB2 PHE 59 HB2 PHE 59 -8.961 -1.816 -2.570 439 HB3 PHE 59 HB3 PHE 59 -9.843 -3.291 -2.939 440 HD1 PHE 59 HD1 PHE 59 -9.986 -3.794 -5.654 441 HD2 PHE 59 HD2 PHE 59 -6.871 -1.603 -3.616 442 HE1 PHE 59 HE1 PHE 59 -8.428 -4.261 -7.513 443 HE2 PHE 59 HE2 PHE 59 -5.301 -2.135 -5.452 444 HZ PHE 59 HZ PHE 59 -6.097 -3.401 -7.435 445 H PHE 60 H PHE 60 -12.037 -3.287 -2.439 446 HA PHE 60 HA PHE 60 -13.014 -1.419 -0.367 447 HB2 PHE 60 HB2 PHE 60 -14.887 -3.279 -1.848 448 HB3 PHE 60 HB3 PHE 60 -15.290 -2.158 -0.556 449 HD1 PHE 60 HD1 PHE 60 -14.263 -2.419 -4.147 450 HD2 PHE 60 HD2 PHE 60 -15.727 0.151 -1.018 451 HE1 PHE 60 HE1 PHE 60 -14.944 -0.772 -5.823 452 HE2 PHE 60 HE2 PHE 60 -16.553 1.739 -2.707 453 HZ PHE 60 HZ PHE 60 -16.170 1.300 -5.134 454 H VAL 61 H VAL 61 -13.583 -2.625 1.672 455 HA VAL 61 HA VAL 61 -13.417 -5.524 1.541 456 HB VAL 61 HB VAL 61 -12.090 -5.650 3.596 457 HG11 VAL 61 HG11 VAL 61 -11.050 -6.066 1.473 458 HG12 VAL 61 HG12 VAL 61 -10.659 -4.340 1.272 459 HG13 VAL 61 HG13 VAL 61 -9.922 -5.309 2.584 460 HG21 VAL 61 HG21 VAL 61 -10.649 -3.766 4.247 461 HG22 VAL 61 HG22 VAL 61 -11.548 -2.701 3.130 462 HG23 VAL 61 HG23 VAL 61 -12.373 -3.499 4.511 463 H ASP 62 H ASP 62 -14.322 -6.457 3.627 464 HA ASP 62 HA ASP 62 -16.643 -4.843 4.492 465 HB2 ASP 62 HB2 ASP 62 -17.761 -6.736 4.794 466 HB3 ASP 62 HB3 ASP 62 -16.706 -7.298 3.495 467 H GLY 63 H GLY 63 -17.153 -5.909 6.982 468 HA2 GLY 63 HA2 GLY 63 -15.285 -4.469 8.642 469 HA3 GLY 63 HA3 GLY 63 -16.659 -5.408 9.173 470 H ASP 64 H ASP 64 -15.497 -7.762 7.494 471 HA ASP 64 HA ASP 64 -13.928 -8.896 9.753 472 HB2 ASP 64 HB2 ASP 64 -15.706 -10.211 8.640 473 HB3 ASP 64 HB3 ASP 64 -14.897 -10.020 7.091 474 H GLY 65 H GLY 65 -13.547 -7.477 6.584 475 HA2 GLY 65 HA2 GLY 65 -11.583 -6.339 5.924 476 HA3 GLY 65 HA3 GLY 65 -10.591 -7.487 6.845 477 H LYS 66 H LYS 66 -13.339 -8.505 4.682 478 HA LYS 66 HA LYS 66 -11.315 -9.966 3.135 479 HB2 LYS 66 HB2 LYS 66 -14.133 -10.460 3.865 480 HB3 LYS 66 HB3 LYS 66 -13.813 -10.695 2.164 481 HG2 LYS 66 HG2 LYS 66 -11.637 -12.043 3.204 482 HG3 LYS 66 HG3 LYS 66 -12.796 -12.244 4.515 483 HD2 LYS 66 HD2 LYS 66 -13.027 -14.130 3.041 484 HD3 LYS 66 HD3 LYS 66 -14.434 -13.092 2.790 485 HE2 LYS 66 HE2 LYS 66 -12.971 -12.025 0.851 486 HE3 LYS 66 HE3 LYS 66 -11.975 -13.465 1.026 487 HZ1 LYS 66 HZ1 LYS 66 -13.999 -14.775 0.490 488 HZ2 LYS 66 HZ2 LYS 66 -13.604 -13.724 -0.693 489 HZ3 LYS 66 HZ3 LYS 66 -14.849 -13.383 0.321 490 H ARG 67 H ARG 67 -10.999 -9.664 0.938 491 HA ARG 67 HA ARG 67 -11.709 -7.096 -0.152 492 HB2 ARG 67 HB2 ARG 67 -9.822 -9.182 -0.679 493 HB3 ARG 67 HB3 ARG 67 -10.817 -9.071 -2.130 494 HG2 ARG 67 HG2 ARG 67 -9.525 -6.669 -0.784 495 HG3 ARG 67 HG3 ARG 67 -8.713 -7.617 -2.027 496 HD2 ARG 67 HD2 ARG 67 -11.452 -6.348 -2.470 497 HD3 ARG 67 HD3 ARG 67 -9.917 -5.525 -2.806 498 HE ARG 67 HE ARG 67 -9.552 -7.832 -4.130 499 HH11 ARG 67 HH11 ARG 67 -12.730 -6.350 -4.500 500 HH12 ARG 67 HH12 ARG 67 -12.305 -5.575 -6.002 501 HH21 ARG 67 HH21 ARG 67 -9.422 -7.464 -6.360 502 HH22 ARG 67 HH22 ARG 67 -10.708 -6.736 -7.246 503 H TRP 68 H TRP 68 -13.525 -6.527 -1.171 504 HA TRP 68 HA TRP 68 -15.712 -8.416 -1.459 505 HB2 TRP 68 HB2 TRP 68 -15.172 -5.522 -2.206 506 HB3 TRP 68 HB3 TRP 68 -16.552 -6.353 -2.878 507 HD1 TRP 68 HD1 TRP 68 -15.241 -5.670 0.735 508 HE1 TRP 68 HE1 TRP 68 -17.277 -5.192 2.203 509 HE3 TRP 68 HE3 TRP 68 -18.912 -6.893 -2.592 510 HZ2 TRP 68 HZ2 TRP 68 -20.142 -5.298 1.940 511 HZ3 TRP 68 HZ3 TRP 68 -21.299 -6.927 -1.859 512 HH2 TRP 68 HH2 TRP 68 -21.909 -6.134 0.395 513 H SER 69 H SER 69 -16.444 -9.431 -3.322 514 HA SER 69 HA SER 69 -14.629 -9.625 -5.608 515 HB2 SER 69 HB2 SER 69 -15.959 -11.580 -4.725 516 HB3 SER 69 HB3 SER 69 -17.426 -10.709 -5.169 517 HG SER 69 HG SER 69 -16.918 -12.106 -6.815 518 H GLU 70 H GLU 70 -15.038 -8.649 -7.664 519 HA GLU 70 HA GLU 70 -16.551 -6.235 -7.623 520 HB2 GLU 70 HB2 GLU 70 -15.325 -7.840 -9.875 521 HB3 GLU 70 HB3 GLU 70 -16.195 -6.318 -10.146 522 HG2 GLU 70 HG2 GLU 70 -14.651 -5.235 -8.434 523 HG3 GLU 70 HG3 GLU 70 -13.668 -6.708 -8.502 524 H GLU 71 H GLU 71 -17.575 -9.516 -8.380 525 HA GLU 71 HA GLU 71 -19.866 -8.832 -9.949 526 HB2 GLU 71 HB2 GLU 71 -19.382 -11.241 -8.202 527 HB3 GLU 71 HB3 GLU 71 -20.645 -11.075 -9.434 528 HG2 GLU 71 HG2 GLU 71 -18.881 -10.712 -11.167 529 HG3 GLU 71 HG3 GLU 71 -17.630 -10.961 -9.941 530 H GLU 72 H GLU 72 -19.357 -9.426 -6.437 531 HA GLU 72 HA GLU 72 -22.027 -8.868 -5.621 532 HB2 GLU 72 HB2 GLU 72 -19.324 -8.858 -4.247 533 HB3 GLU 72 HB3 GLU 72 -20.766 -8.344 -3.405 534 HG2 GLU 72 HG2 GLU 72 -20.232 -10.723 -2.988 535 HG3 GLU 72 HG3 GLU 72 -21.861 -10.399 -3.556 536 H LEU 73 H LEU 73 -19.399 -6.783 -6.548 537 HA LEU 73 HA LEU 73 -20.565 -4.377 -5.318 538 HB2 LEU 73 HB2 LEU 73 -18.366 -4.598 -7.401 539 HB3 LEU 73 HB3 LEU 73 -18.849 -3.124 -6.580 540 HG LEU 73 HG LEU 73 -17.614 -5.567 -5.245 541 HD11 LEU 73 HD11 LEU 73 -15.641 -4.188 -4.982 542 HD12 LEU 73 HD12 LEU 73 -16.448 -2.816 -5.789 543 HD13 LEU 73 HD13 LEU 73 -16.050 -4.286 -6.693 544 HD21 LEU 73 HD21 LEU 73 -19.051 -4.503 -3.667 545 HD22 LEU 73 HD22 LEU 73 -18.440 -2.883 -4.135 546 HD23 LEU 73 HD23 LEU 73 -17.393 -4.049 -3.276 547 H LYS 74 H LYS 74 -20.885 -6.043 -8.430 548 HA LYS 74 HA LYS 74 -22.250 -3.667 -9.602 549 HB2 LYS 74 HB2 LYS 74 -22.227 -4.855 -11.702 550 HB3 LYS 74 HB3 LYS 74 -20.598 -4.644 -11.049 551 HG2 LYS 74 HG2 LYS 74 -20.749 -6.998 -10.232 552 HG3 LYS 74 HG3 LYS 74 -22.281 -7.176 -11.083 553 HD2 LYS 74 HD2 LYS 74 -19.593 -6.447 -12.315 554 HD3 LYS 74 HD3 LYS 74 -20.261 -8.078 -12.286 555 HE2 LYS 74 HE2 LYS 74 -21.743 -5.748 -13.575 556 HE3 LYS 74 HE3 LYS 74 -20.547 -6.700 -14.463 557 HZ1 LYS 74 HZ1 LYS 74 -21.817 -8.628 -14.174 558 HZ2 LYS 74 HZ2 LYS 74 -22.841 -7.468 -14.748 559 HZ3 LYS 74 HZ3 LYS 74 -22.873 -7.938 -13.144 560 H GLU 75 H GLU 75 -23.097 -6.724 -8.171 561 HA GLU 75 HA GLU 75 -25.569 -7.157 -9.526 562 HB2 GLU 75 HB2 GLU 75 -26.049 -8.737 -7.809 563 HB3 GLU 75 HB3 GLU 75 -24.346 -8.851 -8.203 564 HG2 GLU 75 HG2 GLU 75 -23.735 -7.567 -6.375 565 HG3 GLU 75 HG3 GLU 75 -25.352 -7.109 -5.929 566 HA PRO 76 HA PRO 76 -28.115 -4.042 -7.618 567 HB2 PRO 76 HB2 PRO 76 -30.538 -5.218 -7.053 568 HB3 PRO 76 HB3 PRO 76 -29.961 -4.887 -8.709 569 HG2 PRO 76 HG2 PRO 76 -29.998 -7.493 -7.224 570 HG3 PRO 76 HG3 PRO 76 -30.258 -7.189 -8.966 571 HD2 PRO 76 HD2 PRO 76 -27.910 -8.046 -7.710 572 HD3 PRO 76 HD3 PRO 76 -27.946 -7.404 -9.365 573 H TYR 77 H TYR 77 -29.502 -3.528 -5.508 574 HA TYR 77 HA TYR 77 -28.258 -4.945 -3.206 575 HB2 TYR 77 HB2 TYR 77 -27.357 -2.652 -3.651 576 HB3 TYR 77 HB3 TYR 77 -28.984 -2.026 -3.364 577 HD1 TYR 77 HD1 TYR 77 -26.384 -4.237 -1.709 578 HD2 TYR 77 HD2 TYR 77 -29.537 -1.327 -1.179 579 HE1 TYR 77 HE1 TYR 77 -25.889 -4.129 0.698 580 HE2 TYR 77 HE2 TYR 77 -29.048 -1.231 1.224 581 HH TYR 77 HH TYR 77 -27.534 -1.789 2.873 582 H ILE 78 H ILE 78 -29.538 -5.127 -1.389 583 HA ILE 78 HA ILE 78 -32.485 -4.987 -1.870 584 HB ILE 78 HB ILE 78 -32.736 -6.961 -0.515 585 HG12 ILE 78 HG12 ILE 78 -29.706 -6.949 -0.139 586 HG13 ILE 78 HG13 ILE 78 -30.914 -6.642 1.105 587 HG21 ILE 78 HG21 ILE 78 -30.546 -7.505 -2.555 588 HG22 ILE 78 HG22 ILE 78 -31.862 -8.577 -2.055 589 HG23 ILE 78 HG23 ILE 78 -32.227 -7.118 -2.980 590 HD11 ILE 78 HD11 ILE 78 -30.418 -9.274 -0.330 591 HD12 ILE 78 HD12 ILE 78 -30.153 -8.884 1.374 592 HD13 ILE 78 HD13 ILE 78 -31.810 -8.972 0.743 593 H SER 79 H SER 79 -33.520 -5.414 0.630 594 HA SER 79 HA SER 79 -32.404 -3.683 2.616 595 HB2 SER 79 HB2 SER 79 -34.837 -2.795 0.996 596 HB3 SER 79 HB3 SER 79 -34.454 -2.160 2.607 597 HG SER 79 HG SER 79 -32.381 -2.183 0.743 598 H ASN 80 H ASN 80 -33.959 -3.728 4.524 599 HA ASN 80 HA ASN 80 -35.303 -4.739 6.013 600 HB2 ASN 80 HB2 ASN 80 -36.589 -6.510 3.937 601 HB3 ASN 80 HB3 ASN 80 -37.211 -5.993 5.485 602 HD21 ASN 80 HD21 ASN 80 -37.015 -5.253 2.135 603 HD22 ASN 80 HD22 ASN 80 -37.951 -3.752 2.215 604 H ASN 81 H ASN 81 -32.979 -6.277 4.255 605 HA ASN 81 HA ASN 81 -32.948 -8.774 5.870 606 HB2 ASN 81 HB2 ASN 81 -32.563 -8.128 3.000 607 HB3 ASN 81 HB3 ASN 81 -31.339 -9.165 3.663 608 HD21 ASN 81 HD21 ASN 81 -32.351 -11.021 5.192 609 HD22 ASN 81 HD22 ASN 81 -33.696 -11.843 4.411 610 HA PRO 82 HA PRO 82 -29.426 -5.984 7.033 611 HB2 PRO 82 HB2 PRO 82 -29.544 -6.216 9.729 612 HB3 PRO 82 HB3 PRO 82 -30.745 -5.255 8.815 613 HG2 PRO 82 HG2 PRO 82 -31.013 -8.138 9.760 614 HG3 PRO 82 HG3 PRO 82 -32.154 -6.779 10.035 615 HD2 PRO 82 HD2 PRO 82 -32.457 -8.546 7.955 616 HD3 PRO 82 HD3 PRO 82 -32.885 -6.821 7.790 617 H ASP 83 H ASP 83 -29.807 -9.405 7.233 618 HA ASP 83 HA ASP 83 -27.158 -9.773 8.565 619 HB2 ASP 83 HB2 ASP 83 -29.254 -11.039 9.249 620 HB3 ASP 83 HB3 ASP 83 -29.172 -11.869 7.694 621 H GLU 84 H GLU 84 -28.816 -10.153 5.488 622 HA GLU 84 HA GLU 84 -26.846 -11.805 4.196 623 HB2 GLU 84 HB2 GLU 84 -28.696 -9.962 2.730 624 HB3 GLU 84 HB3 GLU 84 -28.160 -11.584 2.277 625 HG2 GLU 84 HG2 GLU 84 -30.189 -10.742 4.348 626 HG3 GLU 84 HG3 GLU 84 -30.531 -11.542 2.817 627 H ILE 85 H ILE 85 -27.389 -8.337 4.526 628 HA ILE 85 HA ILE 85 -25.442 -7.541 2.545 629 HB ILE 85 HB ILE 85 -25.952 -5.251 3.313 630 HG12 ILE 85 HG12 ILE 85 -27.785 -6.577 5.363 631 HG13 ILE 85 HG13 ILE 85 -26.301 -5.709 5.727 632 HG21 ILE 85 HG21 ILE 85 -28.250 -5.204 2.484 633 HG22 ILE 85 HG22 ILE 85 -27.342 -6.424 1.607 634 HG23 ILE 85 HG23 ILE 85 -28.476 -6.921 2.878 635 HD11 ILE 85 HD11 ILE 85 -27.280 -3.621 4.833 636 HD12 ILE 85 HD12 ILE 85 -28.819 -4.478 4.545 637 HD13 ILE 85 HD13 ILE 85 -28.198 -4.289 6.186 638 H ARG 86 H ARG 86 -23.512 -6.400 2.912 639 HA ARG 86 HA ARG 86 -22.273 -6.739 5.602 640 HB2 ARG 86 HB2 ARG 86 -21.713 -8.443 3.557 641 HB3 ARG 86 HB3 ARG 86 -20.652 -7.115 3.090 642 HG2 ARG 86 HG2 ARG 86 -19.299 -8.502 4.363 643 HG3 ARG 86 HG3 ARG 86 -19.744 -7.197 5.485 644 HD2 ARG 86 HD2 ARG 86 -21.533 -8.675 6.412 645 HD3 ARG 86 HD3 ARG 86 -20.961 -9.983 5.348 646 HE ARG 86 HE ARG 86 -18.669 -9.207 6.582 647 HH11 ARG 86 HH11 ARG 86 -21.860 -10.096 7.946 648 HH12 ARG 86 HH12 ARG 86 -21.251 -10.397 9.533 649 HH21 ARG 86 HH21 ARG 86 -17.850 -9.829 8.521 650 HH22 ARG 86 HH22 ARG 86 -18.862 -10.325 9.856 651 H GLU 87 H GLU 87 -20.621 -5.164 6.110 652 HA GLU 87 HA GLU 87 -21.133 -2.590 4.950 653 HB2 GLU 87 HB2 GLU 87 -19.527 -1.704 6.474 654 HB3 GLU 87 HB3 GLU 87 -20.534 -2.891 7.314 655 HG2 GLU 87 HG2 GLU 87 -18.623 -4.544 6.806 656 HG3 GLU 87 HG3 GLU 87 -17.657 -3.139 6.352 657 H LYS 88 H LYS 88 -19.352 -1.130 4.038 658 HA LYS 88 HA LYS 88 -17.389 -2.606 2.394 659 HB2 LYS 88 HB2 LYS 88 -19.415 -2.275 1.062 660 HB3 LYS 88 HB3 LYS 88 -19.476 -0.574 1.548 661 HG2 LYS 88 HG2 LYS 88 -17.379 -0.109 0.388 662 HG3 LYS 88 HG3 LYS 88 -17.354 -1.791 -0.204 663 HD2 LYS 88 HD2 LYS 88 -19.700 0.093 -0.676 664 HD3 LYS 88 HD3 LYS 88 -18.315 0.016 -1.777 665 HE2 LYS 88 HE2 LYS 88 -18.640 -2.290 -2.233 666 HE3 LYS 88 HE3 LYS 88 -19.881 -2.463 -0.979 667 HZ1 LYS 88 HZ1 LYS 88 -20.181 -0.922 -3.484 668 HZ2 LYS 88 HZ2 LYS 88 -21.273 -0.948 -2.251 669 HZ3 LYS 88 HZ3 LYS 88 -20.948 -2.322 -3.049 670 H LYS 89 H LYS 89 -15.490 -1.677 2.624 671 HA LYS 89 HA LYS 89 -15.245 1.148 3.629 672 HB2 LYS 89 HB2 LYS 89 -13.400 -1.250 3.891 673 HB3 LYS 89 HB3 LYS 89 -13.055 0.366 4.512 674 HG2 LYS 89 HG2 LYS 89 -14.870 0.250 6.092 675 HG3 LYS 89 HG3 LYS 89 -15.547 -1.204 5.347 676 HD2 LYS 89 HD2 LYS 89 -13.433 -2.443 5.954 677 HD3 LYS 89 HD3 LYS 89 -12.932 -1.014 6.869 678 HE2 LYS 89 HE2 LYS 89 -15.424 -1.272 7.804 679 HE3 LYS 89 HE3 LYS 89 -15.233 -2.925 7.235 680 HZ1 LYS 89 HZ1 LYS 89 -14.616 -2.516 9.633 681 HZ2 LYS 89 HZ2 LYS 89 -13.333 -1.618 9.109 682 HZ3 LYS 89 HZ3 LYS 89 -13.406 -3.204 8.765 683 HA PRO 90 HA PRO 90 -13.710 1.324 -0.671 684 HB2 PRO 90 HB2 PRO 90 -14.081 3.995 -1.097 685 HB3 PRO 90 HB3 PRO 90 -15.344 2.802 -1.306 686 HG2 PRO 90 HG2 PRO 90 -14.674 4.507 1.113 687 HG3 PRO 90 HG3 PRO 90 -16.327 4.235 0.442 688 HD2 PRO 90 HD2 PRO 90 -15.399 2.975 2.631 689 HD3 PRO 90 HD3 PRO 90 -16.444 2.132 1.451 690 H LEU 91 H LEU 91 -11.640 1.114 -0.719 691 HA LEU 91 HA LEU 91 -9.747 2.976 0.584 692 HB2 LEU 91 HB2 LEU 91 -9.254 0.472 -1.064 693 HB3 LEU 91 HB3 LEU 91 -8.123 1.241 0.045 694 HG LEU 91 HG LEU 91 -10.674 -0.285 0.740 695 HD11 LEU 91 HD11 LEU 91 -7.755 -0.990 1.121 696 HD12 LEU 91 HD12 LEU 91 -8.904 -1.711 -0.032 697 HD13 LEU 91 HD13 LEU 91 -9.145 -1.936 1.708 698 HD21 LEU 91 HD21 LEU 91 -8.626 0.744 2.748 699 HD22 LEU 91 HD22 LEU 91 -10.136 -0.111 3.070 700 HD23 LEU 91 HD23 LEU 91 -10.199 1.530 2.437 701 H ARG 92 H ARG 92 -8.610 4.495 -0.695 702 HA ARG 92 HA ARG 92 -8.771 4.312 -3.650 703 HB2 ARG 92 HB2 ARG 92 -9.297 6.966 -2.233 704 HB3 ARG 92 HB3 ARG 92 -9.243 6.624 -3.944 705 HG2 ARG 92 HG2 ARG 92 -11.466 6.883 -3.583 706 HG3 ARG 92 HG3 ARG 92 -11.295 5.120 -3.573 707 HD2 ARG 92 HD2 ARG 92 -11.578 4.986 -1.249 708 HD3 ARG 92 HD3 ARG 92 -11.100 6.666 -0.993 709 HE ARG 92 HE ARG 92 -13.518 6.587 -2.504 710 HH11 ARG 92 HH11 ARG 92 -12.507 5.721 0.805 711 HH12 ARG 92 HH12 ARG 92 -13.508 6.955 1.545 712 HH21 ARG 92 HH21 ARG 92 -15.355 7.599 -1.411 713 HH22 ARG 92 HH22 ARG 92 -15.446 7.530 0.307 714 H TYR 93 H TYR 93 -6.655 4.166 -4.153 715 HA TYR 93 HA TYR 93 -4.668 5.553 -2.418 716 HB2 TYR 93 HB2 TYR 93 -4.225 3.542 -4.599 717 HB3 TYR 93 HB3 TYR 93 -2.988 4.302 -3.580 718 HD1 TYR 93 HD1 TYR 93 -2.821 3.758 -1.115 719 HD2 TYR 93 HD2 TYR 93 -5.435 1.667 -3.825 720 HE1 TYR 93 HE1 TYR 93 -3.178 2.016 0.586 721 HE2 TYR 93 HE2 TYR 93 -5.874 -0.048 -2.048 722 HH TYR 93 HH TYR 93 -4.035 -0.257 0.941 723 H GLY 94 H GLY 94 -3.269 7.024 -3.040 724 HA2 GLY 94 HA2 GLY 94 -3.682 8.816 -5.106 725 HA3 GLY 94 HA3 GLY 94 -2.940 8.794 -3.518 726 H LYS 95 H LYS 95 -1.768 10.093 -5.555 727 HA LYS 95 HA LYS 95 0.158 8.496 -7.016 728 HB2 LYS 95 HB2 LYS 95 -0.775 10.682 -7.735 729 HB3 LYS 95 HB3 LYS 95 0.074 11.488 -6.418 730 HG2 LYS 95 HG2 LYS 95 2.224 11.017 -7.402 731 HG3 LYS 95 HG3 LYS 95 1.526 9.918 -8.597 732 HD2 LYS 95 HD2 LYS 95 0.940 12.913 -8.366 733 HD3 LYS 95 HD3 LYS 95 2.133 12.238 -9.467 734 HE2 LYS 95 HE2 LYS 95 -0.809 11.481 -9.560 735 HE3 LYS 95 HE3 LYS 95 -0.144 12.833 -10.462 736 HZ1 LYS 95 HZ1 LYS 95 -0.327 10.406 -11.404 737 HZ2 LYS 95 HZ2 LYS 95 1.214 10.292 -10.889 738 HZ3 LYS 95 HZ3 LYS 95 0.783 11.480 -11.945 739 H VAL 96 H VAL 96 2.705 9.021 -6.583 740 HA VAL 96 HA VAL 96 3.178 9.048 -3.667 741 HB VAL 96 HB VAL 96 4.519 7.329 -5.776 742 HG11 VAL 96 HG11 VAL 96 6.133 7.913 -3.994 743 HG12 VAL 96 HG12 VAL 96 4.968 7.388 -2.761 744 HG13 VAL 96 HG13 VAL 96 5.669 6.221 -3.901 745 HG21 VAL 96 HG21 VAL 96 3.516 5.434 -4.529 746 HG22 VAL 96 HG22 VAL 96 2.683 6.570 -3.450 747 HG23 VAL 96 HG23 VAL 96 2.264 6.500 -5.178 748 H TYR 97 H TYR 97 4.940 10.091 -2.899 749 HA TYR 97 HA TYR 97 6.516 11.761 -4.764 750 HB2 TYR 97 HB2 TYR 97 5.618 12.657 -1.999 751 HB3 TYR 97 HB3 TYR 97 6.254 13.613 -3.299 752 HD1 TYR 97 HD2 TYR 97 3.198 11.788 -2.118 753 HD2 TYR 97 HD1 TYR 97 4.884 14.523 -4.965 754 HE1 TYR 97 HE2 TYR 97 0.914 12.312 -2.869 755 HE2 TYR 97 HE1 TYR 97 2.591 15.142 -5.710 756 HH TYR 97 HH TYR 97 -0.217 14.346 -4.328 757 H SER 98 H SER 98 8.427 12.777 -3.533 758 HA SER 98 HA SER 98 9.947 10.654 -2.102 759 HB2 SER 98 HB2 SER 98 10.944 11.219 -4.138 760 HB3 SER 98 HB3 SER 98 10.555 12.941 -3.995 761 HG SER 98 HG SER 98 12.789 12.044 -3.658 762 H THR 99 H THR 99 11.016 11.114 -0.173 763 HA THR 99 HA THR 99 10.081 13.444 1.332 764 HB THR 99 HB THR 99 11.388 12.307 3.151 765 HG1 THR 99 HG1 THR 99 12.660 10.780 2.500 766 HG21 THR 99 HG21 THR 99 9.240 10.612 1.825 767 HG22 THR 99 HG22 THR 99 8.962 11.960 2.968 768 HG23 THR 99 HG23 THR 99 9.785 10.485 3.507 769 H ASN 100 H ASN 100 11.197 14.786 -0.196 770 HA ASN 100 HA ASN 100 12.955 16.073 -1.023 771 HB2 ASN 100 HB2 ASN 100 12.436 16.839 1.415 772 HB3 ASN 100 HB3 ASN 100 13.970 16.086 1.836 773 HD21 ASN 100 HD21 ASN 100 12.400 18.522 -0.194 774 HD22 ASN 100 HD22 ASN 100 13.795 19.446 -0.627 775 H GLU 101 H GLU 101 13.528 13.277 -1.436 776 HA GLU 101 HA GLU 101 16.252 12.779 -0.531 777 HB2 GLU 101 HB2 GLU 101 14.514 11.254 -2.469 778 HB3 GLU 101 HB3 GLU 101 16.081 10.739 -1.854 779 HG2 GLU 101 HG2 GLU 101 15.104 10.750 0.472 780 HG3 GLU 101 HG3 GLU 101 13.511 11.091 -0.248 781 H ASP 102 H ASP 102 14.933 12.669 -3.703 782 HA ASP 102 HA ASP 102 15.789 13.015 -5.807 783 HB2 ASP 102 HB2 ASP 102 15.149 15.270 -5.174 784 HB3 ASP 102 HB3 ASP 102 16.766 15.587 -4.536 785 H SER 103 H SER 103 17.528 11.660 -3.804 786 HA SER 103 HA SER 103 20.136 11.750 -5.227 787 HB2 SER 103 HB2 SER 103 19.625 11.272 -2.266 788 HB3 SER 103 HB3 SER 103 21.200 11.348 -3.078 789 HG SER 103 HG SER 103 19.292 13.423 -2.682 790 H ASP 104 H ASP 104 21.247 9.436 -4.332 791 HA ASP 104 HA ASP 104 19.636 7.421 -5.688 792 HB2 ASP 104 HB2 ASP 104 22.310 7.182 -4.274 793 HB3 ASP 104 HB3 ASP 104 21.589 5.961 -5.311 794 H ALA 105 H ALA 105 18.854 8.555 -2.898 795 HA ALA 105 HA ALA 105 19.006 6.422 -0.997 796 HB1 ALA 105 HB1 ALA 105 17.406 7.822 0.272 797 HB2 ALA 105 HB2 ALA 105 18.800 8.748 -0.320 798 HB3 ALA 105 HB3 ALA 105 17.230 8.887 -1.137 799 H LYS 106 H LYS 106 15.803 7.696 -2.097 800 HA LYS 106 HA LYS 106 13.869 6.670 -2.463 801 HB2 LYS 106 HB2 LYS 106 15.376 4.484 -3.904 802 HB3 LYS 106 HB3 LYS 106 13.669 4.930 -4.027 803 HG2 LYS 106 HG2 LYS 106 14.518 7.253 -4.827 804 HG3 LYS 106 HG3 LYS 106 16.062 6.444 -5.061 805 HD2 LYS 106 HD2 LYS 106 14.585 4.678 -6.440 806 HD3 LYS 106 HD3 LYS 106 13.385 5.967 -6.446 807 HE2 LYS 106 HE2 LYS 106 14.604 6.304 -8.458 808 HE3 LYS 106 HE3 LYS 106 15.263 7.507 -7.345 809 HZ1 LYS 106 HZ1 LYS 106 16.493 4.990 -8.261 810 HZ2 LYS 106 HZ2 LYS 106 17.062 5.749 -6.910 811 HZ3 LYS 106 HZ3 LYS 106 17.098 6.514 -8.364 812 H ASP 107 H ASP 107 14.750 6.378 0.145 813 HA ASP 107 HA ASP 107 14.038 3.527 0.728 814 HB2 ASP 107 HB2 ASP 107 15.328 3.403 2.432 815 HB3 ASP 107 HB3 ASP 107 16.250 4.708 1.696 816 H GLU 108 H GLU 108 13.413 6.980 1.593 817 HA GLU 108 HA GLU 108 10.750 6.087 2.582 818 HB2 GLU 108 HB2 GLU 108 12.743 8.131 3.388 819 HB3 GLU 108 HB3 GLU 108 10.982 8.464 3.682 820 HG2 GLU 108 HG2 GLU 108 10.721 6.509 5.029 821 HG3 GLU 108 HG3 GLU 108 12.360 5.957 4.596 822 H ILE 109 H ILE 109 9.059 7.005 1.819 823 HA ILE 109 HA ILE 109 9.160 9.064 -0.289 824 HB ILE 109 HB ILE 109 7.826 7.570 -1.819 825 HG12 ILE 109 HG12 ILE 109 8.304 5.030 -1.430 826 HG13 ILE 109 HG13 ILE 109 8.449 5.440 0.266 827 HG21 ILE 109 HG21 ILE 109 10.310 7.981 -2.015 828 HG22 ILE 109 HG22 ILE 109 10.581 6.427 -1.194 829 HG23 ILE 109 HG23 ILE 109 9.768 6.470 -2.740 830 HD11 ILE 109 HD11 ILE 109 6.196 4.860 0.005 831 HD12 ILE 109 HD12 ILE 109 6.091 6.584 -0.054 832 HD13 ILE 109 HD13 ILE 109 6.057 5.662 -1.569 833 H ILE 110 H ILE 110 6.548 9.257 -0.996 834 HA ILE 110 HA ILE 110 5.010 9.189 1.556 835 HB ILE 110 HB ILE 110 4.984 11.569 -0.285 836 HG12 ILE 110 HG12 ILE 110 6.662 11.245 2.248 837 HG13 ILE 110 HG13 ILE 110 7.319 11.304 0.605 838 HG21 ILE 110 HG21 ILE 110 3.057 11.125 1.272 839 HG22 ILE 110 HG22 ILE 110 4.191 11.242 2.636 840 HG23 ILE 110 HG23 ILE 110 3.896 12.637 1.608 841 HD11 ILE 110 HD11 ILE 110 7.688 13.347 1.610 842 HD12 ILE 110 HD12 ILE 110 6.531 13.534 0.265 843 HD13 ILE 110 HD13 ILE 110 5.964 13.583 1.961 844 H VAL 111 H VAL 111 3.305 7.977 1.215 845 HA VAL 111 HA VAL 111 2.173 7.491 -1.469 846 HB VAL 111 HB VAL 111 2.127 6.243 1.286 847 HG11 VAL 111 HG11 VAL 111 0.163 5.470 -0.903 848 HG12 VAL 111 HG12 VAL 111 0.552 4.470 0.519 849 HG13 VAL 111 HG13 VAL 111 -0.221 6.011 0.728 850 HG21 VAL 111 HG21 VAL 111 2.755 4.962 -1.373 851 HG22 VAL 111 HG22 VAL 111 3.937 5.852 -0.429 852 HG23 VAL 111 HG23 VAL 111 3.204 4.433 0.278 853 H GLU 112 H GLU 112 0.219 8.451 -2.074 854 HA GLU 112 HA GLU 112 -1.182 9.997 0.002 855 HB2 GLU 112 HB2 GLU 112 -0.900 11.081 -2.055 856 HB3 GLU 112 HB3 GLU 112 -1.384 9.754 -2.912 857 HG2 GLU 112 HG2 GLU 112 -3.780 10.099 -1.802 858 HG3 GLU 112 HG3 GLU 112 -3.126 11.566 -1.142 859 H PHE 113 H PHE 113 -3.220 9.212 0.836 860 HA PHE 113 HA PHE 113 -4.659 7.050 -0.506 861 HB2 PHE 113 HB2 PHE 113 -3.037 5.870 0.991 862 HB3 PHE 113 HB3 PHE 113 -3.664 6.777 2.366 863 HD1 PHE 113 HD2 PHE 113 -5.117 4.829 -0.519 864 HD2 PHE 113 HD1 PHE 113 -5.124 5.484 3.727 865 HE1 PHE 113 HE2 PHE 113 -6.824 3.143 -0.323 866 HE2 PHE 113 HE1 PHE 113 -6.870 3.772 3.966 867 HZ PHE 113 HZ PHE 113 -7.781 2.602 1.973 868 H ASN 114 H ASN 114 -6.900 7.166 0.088 869 HA ASN 114 HA ASN 114 -8.793 8.411 0.616 870 HB2 ASN 114 HB2 ASN 114 -7.381 8.497 3.311 871 HB3 ASN 114 HB3 ASN 114 -9.055 8.963 3.062 872 HD21 ASN 114 HD21 ASN 114 -10.263 6.972 1.617 873 HD22 ASN 114 HD22 ASN 114 -10.092 5.505 2.588 874 H ARG 115 H ARG 115 -6.867 9.979 -0.717 875 HA ARG 115 HA ARG 115 -6.315 12.071 -1.299 876 HB2 ARG 115 HB2 ARG 115 -8.596 13.177 0.350 877 HB3 ARG 115 HB3 ARG 115 -7.845 13.822 -1.095 878 HG2 ARG 115 HG2 ARG 115 -9.594 12.973 -2.185 879 HG3 ARG 115 HG3 ARG 115 -8.729 11.448 -2.104 880 HD2 ARG 115 HD2 ARG 115 -10.482 10.568 -1.021 881 HD3 ARG 115 HD3 ARG 115 -10.145 11.597 0.362 882 HE ARG 115 HE ARG 115 -12.129 11.994 -1.786 883 HH11 ARG 115 HH11 ARG 115 -10.814 13.325 1.301 884 HH12 ARG 115 HH12 ARG 115 -11.942 14.612 1.327 885 HH21 ARG 115 HH21 ARG 115 -13.724 13.537 -1.565 886 HH22 ARG 115 HH22 ARG 115 -13.813 14.559 -0.185 887 H GLU 116 H GLU 116 -4.971 11.023 1.196 888 HA GLU 116 HA GLU 116 -4.003 13.619 2.175 889 HB2 GLU 116 HB2 GLU 116 -5.078 11.227 3.712 890 HB3 GLU 116 HB3 GLU 116 -3.768 12.149 4.411 891 HG2 GLU 116 HG2 GLU 116 -6.400 13.410 3.528 892 HG3 GLU 116 HG3 GLU 116 -6.092 12.784 5.146 893 H TYR 117 H TYR 117 -1.750 13.595 2.588 894 HA TYR 117 HA TYR 117 -0.307 11.401 1.252 895 HB2 TYR 117 HB2 TYR 117 0.569 14.108 2.303 896 HB3 TYR 117 HB3 TYR 117 1.575 12.986 1.408 897 HD1 TYR 117 HD1 TYR 117 -1.391 12.532 -0.303 898 HD2 TYR 117 HD2 TYR 117 1.492 15.611 0.449 899 HE1 TYR 117 HE1 TYR 117 -2.051 13.628 -2.401 900 HE2 TYR 117 HE2 TYR 117 0.904 16.677 -1.762 901 HH TYR 117 HH TYR 117 -0.660 16.666 -3.530 902 H TYR 118 H TYR 118 0.722 9.852 2.268 903 HA TYR 118 HA TYR 118 1.326 10.162 5.197 904 HB2 TYR 118 HB2 TYR 118 0.562 7.675 3.644 905 HB3 TYR 118 HB3 TYR 118 1.091 7.700 5.320 906 HD1 TYR 118 HD2 TYR 118 -0.296 8.815 7.087 907 HD2 TYR 118 HD1 TYR 118 -1.659 8.475 3.016 908 HE1 TYR 118 HE2 TYR 118 -2.581 9.322 7.831 909 HE2 TYR 118 HE1 TYR 118 -3.934 9.057 3.718 910 HH TYR 118 HH TYR 118 -4.768 9.647 7.178 911 H ARG 119 H ARG 119 3.441 10.271 5.637 912 HA ARG 119 HA ARG 119 5.429 9.601 3.615 913 HB2 ARG 119 HB2 ARG 119 5.866 11.388 5.214 914 HB3 ARG 119 HB3 ARG 119 5.861 10.245 6.563 915 HG2 ARG 119 HG2 ARG 119 7.659 9.782 4.164 916 HG3 ARG 119 HG3 ARG 119 8.109 11.030 5.302 917 HD2 ARG 119 HD2 ARG 119 7.778 8.077 5.987 918 HD3 ARG 119 HD3 ARG 119 9.283 8.959 5.719 919 HE ARG 119 HE ARG 119 7.631 10.207 7.744 920 HH11 ARG 119 HH11 ARG 119 10.318 7.784 7.336 921 HH12 ARG 119 HH12 ARG 119 10.736 7.945 8.971 922 HH21 ARG 119 HH21 ARG 119 8.244 10.171 9.956 923 HH22 ARG 119 HH22 ARG 119 9.679 9.255 10.369 924 H ALA 120 H ALA 120 6.248 7.714 3.223 925 HA ALA 120 HA ALA 120 5.790 5.510 5.130 926 HB1 ALA 120 HB1 ALA 120 5.279 4.068 3.303 927 HB2 ALA 120 HB2 ALA 120 4.344 5.553 3.035 928 HB3 ALA 120 HB3 ALA 120 5.832 5.278 2.118 929 H VAL 121 H VAL 121 7.370 3.664 4.806 930 HA VAL 121 HA VAL 121 10.042 4.492 3.780 931 HB VAL 121 HB VAL 121 9.867 4.962 6.166 932 HG11 VAL 121 HG11 VAL 121 8.164 3.701 6.869 933 HG12 VAL 121 HG12 VAL 121 9.053 2.155 6.638 934 HG13 VAL 121 HG13 VAL 121 9.604 3.338 7.838 935 HG21 VAL 121 HG21 VAL 121 11.816 3.895 6.958 936 HG22 VAL 121 HG22 VAL 121 11.564 2.460 5.946 937 HG23 VAL 121 HG23 VAL 121 12.046 3.998 5.205 938 H LEU 122 H LEU 122 11.279 2.879 2.955 939 HA LEU 122 HA LEU 122 10.052 0.538 1.962 940 HB2 LEU 122 HB2 LEU 122 11.901 1.877 0.979 941 HB3 LEU 122 HB3 LEU 122 12.976 1.347 2.269 942 HG LEU 122 HG LEU 122 12.624 -1.029 1.479 943 HD11 LEU 122 HD11 LEU 122 11.154 0.448 -0.729 944 HD12 LEU 122 HD12 LEU 122 10.474 -0.823 0.321 945 HD13 LEU 122 HD13 LEU 122 11.693 -1.215 -0.906 946 HD21 LEU 122 HD21 LEU 122 14.606 0.256 0.658 947 HD22 LEU 122 HD22 LEU 122 13.609 0.983 -0.610 948 HD23 LEU 122 HD23 LEU 122 13.952 -0.749 -0.649 949 H ILE 123 H ILE 123 9.779 -1.504 2.902 950 HA ILE 123 HA ILE 123 10.675 -1.796 5.701 951 HB ILE 123 HB ILE 123 8.810 -3.363 3.865 952 HG12 ILE 123 HG12 ILE 123 8.047 -1.971 6.417 953 HG13 ILE 123 HG13 ILE 123 8.295 -0.972 5.001 954 HG21 ILE 123 HG21 ILE 123 8.107 -4.579 5.955 955 HG22 ILE 123 HG22 ILE 123 9.763 -4.963 5.474 956 HG23 ILE 123 HG23 ILE 123 9.470 -3.834 6.817 957 HD11 ILE 123 HD11 ILE 123 5.908 -1.729 5.371 958 HD12 ILE 123 HD12 ILE 123 6.612 -1.948 3.767 959 HD13 ILE 123 HD13 ILE 123 6.441 -3.348 4.860 960 H LYS 124 H LYS 124 10.905 -3.391 2.568 961 HA LYS 124 HA LYS 124 12.606 -5.469 3.274 962 HB2 LYS 124 HB2 LYS 124 12.783 -5.846 1.044 963 HB3 LYS 124 HB3 LYS 124 11.265 -5.044 1.120 964 HG2 LYS 124 HG2 LYS 124 12.214 -3.002 0.254 965 HG3 LYS 124 HG3 LYS 124 13.852 -3.653 0.316 966 HD2 LYS 124 HD2 LYS 124 13.210 -3.752 -1.932 967 HD3 LYS 124 HD3 LYS 124 13.183 -5.413 -1.349 968 HE2 LYS 124 HE2 LYS 124 10.739 -5.367 -1.190 969 HE3 LYS 124 HE3 LYS 124 10.722 -3.625 -1.542 970 HZ1 LYS 124 HZ1 LYS 124 10.200 -5.025 -3.552 971 HZ2 LYS 124 HZ2 LYS 124 11.756 -5.609 -3.500 972 HZ3 LYS 124 HZ3 LYS 124 11.457 -4.050 -3.758 973 H ASN 125 H ASN 125 13.395 -2.231 3.510 974 HA ASN 125 HA ASN 125 16.218 -2.322 2.764 975 HB2 ASN 125 HB2 ASN 125 14.439 -0.324 2.792 976 HB3 ASN 125 HB3 ASN 125 14.901 -0.201 4.471 977 HD21 ASN 125 HD21 ASN 125 15.993 1.741 4.300 978 HD22 ASN 125 HD22 ASN 125 17.404 2.014 3.242 979 H GLU 126 H GLU 126 14.291 -3.256 5.462 980 HA GLU 126 HA GLU 126 16.582 -3.562 7.249 981 HB2 GLU 126 HB2 GLU 126 15.217 -2.870 9.136 982 HB3 GLU 126 HB3 GLU 126 15.418 -1.562 7.965 983 HG2 GLU 126 HG2 GLU 126 13.117 -2.011 7.108 984 HG3 GLU 126 HG3 GLU 126 12.920 -3.248 8.372 985 H LYS 127 H LYS 127 15.564 -5.274 9.085 986 HA LYS 127 HA LYS 127 13.831 -7.179 7.610 987 HB2 LYS 127 HB2 LYS 127 16.501 -7.881 8.905 988 HB3 LYS 127 HB3 LYS 127 15.367 -9.033 8.188 989 HG2 LYS 127 HG2 LYS 127 15.661 -7.969 5.969 990 HG3 LYS 127 HG3 LYS 127 16.876 -6.875 6.646 991 HD2 LYS 127 HD2 LYS 127 17.078 -9.910 6.648 992 HD3 LYS 127 HD3 LYS 127 17.839 -8.841 5.455 993 HE2 LYS 127 HE2 LYS 127 19.187 -7.760 7.195 994 HE3 LYS 127 HE3 LYS 127 18.359 -8.686 8.459 995 HZ1 LYS 127 HZ1 LYS 127 20.102 -9.818 6.365 996 HZ2 LYS 127 HZ2 LYS 127 19.244 -10.704 7.456 997 HZ3 LYS 127 HZ3 LYS 127 20.434 -9.723 7.972 998 H GLU 128 H GLU 128 13.105 -5.401 9.788 999 HA GLU 128 HA GLU 128 12.226 -7.479 11.683 1000 HB2 GLU 128 HB2 GLU 128 14.361 -6.634 12.609 1001 HB3 GLU 128 HB3 GLU 128 13.792 -4.974 12.444 1002 HG2 GLU 128 HG2 GLU 128 11.824 -5.672 13.976 1003 HG3 GLU 128 HG3 GLU 128 12.740 -7.156 14.290 Start of MODEL 5 1 H1 GLY 1 H GLY 1 25.460 -31.079 14.068 2 HA2 GLY 1 HA2 GLY 1 23.844 -29.305 13.674 3 HA3 GLY 1 HA3 GLY 1 25.144 -28.138 13.983 4 H SER 2 H SER 2 24.042 -27.551 11.752 5 HA SER 2 HA SER 2 25.042 -28.965 9.402 6 HB2 SER 2 HB2 SER 2 23.708 -27.053 8.328 7 HB3 SER 2 HB3 SER 2 22.780 -28.106 9.398 8 HG SER 2 HG SER 2 22.331 -25.927 9.863 9 H THR 3 H THR 3 25.535 -26.555 7.833 10 HA THR 3 HA THR 3 27.759 -25.169 9.083 11 HB THR 3 HB THR 3 28.724 -27.225 8.018 12 HG1 THR 3 HG1 THR 3 30.310 -26.008 6.937 13 HG21 THR 3 HG21 THR 3 27.873 -25.956 5.374 14 HG22 THR 3 HG22 THR 3 27.187 -27.446 6.061 15 HG23 THR 3 HG23 THR 3 28.893 -27.391 5.589 16 H MET 4 H MET 4 28.290 -23.229 7.557 17 HA MET 4 HA MET 4 25.913 -22.465 5.942 18 HB2 MET 4 HB2 MET 4 27.297 -20.775 8.061 19 HB3 MET 4 HB3 MET 4 26.065 -20.187 6.942 20 HG2 MET 4 HG2 MET 4 25.652 -22.396 8.995 21 HG3 MET 4 HG3 MET 4 25.156 -20.725 9.180 22 HE1 MET 4 HE1 MET 4 21.857 -22.938 8.753 23 HE2 MET 4 HE2 MET 4 23.406 -23.567 9.360 24 HE3 MET 4 HE3 MET 4 22.819 -21.974 9.896 25 H HIS 5 H HIS 5 26.317 -20.599 4.513 26 HA HIS 5 HA HIS 5 29.130 -20.380 3.598 27 HB2 HIS 5 HB2 HIS 5 26.636 -20.788 1.892 28 HB3 HIS 5 HB3 HIS 5 28.271 -20.534 1.294 29 HD1 HIS 5 HD1 HIS 5 29.971 -22.629 1.429 30 HD2 HIS 5 HD2 HIS 5 26.018 -23.258 2.762 31 HE1 HIS 5 HE1 HIS 5 29.659 -25.151 1.600 32 H PHE 6 H PHE 6 28.925 -18.615 1.659 33 HA PHE 6 HA PHE 6 28.163 -16.134 3.004 34 HB2 PHE 6 HB2 PHE 6 29.420 -16.524 0.266 35 HB3 PHE 6 HB3 PHE 6 29.499 -15.093 1.285 36 HD1 PHE 6 HD2 PHE 6 30.376 -16.006 3.904 37 HD2 PHE 6 HD1 PHE 6 31.550 -17.443 0.008 38 HE1 PHE 6 HE2 PHE 6 32.498 -16.851 4.854 39 HE2 PHE 6 HE1 PHE 6 33.671 -18.286 0.964 40 HZ PHE 6 HZ PHE 6 34.154 -17.992 3.388 41 H THR 7 H THR 7 27.526 -14.491 0.877 42 HA THR 7 HA THR 7 25.053 -15.564 -0.346 43 HB THR 7 HB THR 7 24.121 -13.225 0.140 44 HG1 THR 7 HG1 THR 7 25.937 -13.200 2.275 45 HG21 THR 7 HG21 THR 7 23.340 -15.204 1.392 46 HG22 THR 7 HG22 THR 7 23.380 -13.763 2.421 47 HG23 THR 7 HG23 THR 7 24.652 -14.995 2.570 48 H ASP 8 H ASP 8 24.420 -14.166 -2.194 49 HA ASP 8 HA ASP 8 26.760 -12.909 -3.569 50 HB2 ASP 8 HB2 ASP 8 24.504 -14.599 -4.681 51 HB3 ASP 8 HB3 ASP 8 25.582 -13.617 -5.670 52 H ASP 9 H ASP 9 25.571 -11.455 -5.503 53 HA ASP 9 HA ASP 9 24.055 -9.440 -3.988 54 HB2 ASP 9 HB2 ASP 9 24.611 -7.991 -5.730 55 HB3 ASP 9 HB3 ASP 9 26.061 -8.948 -5.478 56 H ASN 10 H ASN 10 21.793 -9.287 -4.177 57 HA ASN 10 HA ASN 10 20.370 -10.120 -6.527 58 HB2 ASN 10 HB2 ASN 10 20.834 -12.393 -5.699 59 HB3 ASN 10 HB3 ASN 10 20.201 -11.941 -4.107 60 HD21 ASN 10 HD21 ASN 10 18.488 -13.457 -4.065 61 HD22 ASN 10 HD22 ASN 10 17.170 -13.427 -5.193 62 H GLU 11 H GLU 11 18.432 -9.132 -6.594 63 HA GLU 11 HA GLU 11 17.345 -7.655 -4.288 64 HB2 GLU 11 HB2 GLU 11 17.605 -6.386 -6.272 65 HB3 GLU 11 HB3 GLU 11 17.060 -7.724 -7.279 66 HG2 GLU 11 HG2 GLU 11 15.306 -6.338 -7.423 67 HG3 GLU 11 HG3 GLU 11 14.753 -7.432 -6.173 68 H ASN 12 H ASN 12 15.912 -8.770 -3.166 69 HA ASN 12 HA ASN 12 14.048 -10.714 -4.439 70 HB2 ASN 12 HB2 ASN 12 14.249 -12.194 -2.362 71 HB3 ASN 12 HB3 ASN 12 15.433 -12.344 -3.649 72 HD21 ASN 12 HD21 ASN 12 17.560 -11.583 -3.345 73 HD22 ASN 12 HD22 ASN 12 18.220 -11.289 -1.737 74 H ASP 13 H ASP 13 12.881 -8.914 -4.429 75 HA ASP 13 HA ASP 13 12.059 -7.272 -2.318 76 HB2 ASP 13 HB2 ASP 13 10.420 -6.530 -4.022 77 HB3 ASP 13 HB3 ASP 13 12.010 -6.755 -4.740 78 H THR 14 H THR 14 9.622 -6.963 -2.080 79 HA THR 14 HA THR 14 8.556 -8.686 -0.196 80 HB THR 14 HB THR 14 7.925 -6.334 -0.469 81 HG1 THR 14 HG1 THR 14 6.404 -7.847 0.434 82 HG21 THR 14 HG21 THR 14 7.743 -6.389 -3.125 83 HG22 THR 14 HG22 THR 14 6.564 -5.427 -2.205 84 HG23 THR 14 HG23 THR 14 6.125 -7.006 -2.832 85 H SER 15 H SER 15 7.960 -8.540 -3.594 86 HA SER 15 HA SER 15 6.897 -9.697 -5.154 87 HB2 SER 15 HB2 SER 15 7.790 -12.042 -3.477 88 HB3 SER 15 HB3 SER 15 7.213 -12.132 -5.152 89 HG SER 15 HG SER 15 9.068 -10.170 -4.944 90 H GLU 16 H GLU 16 5.160 -8.452 -3.826 91 HA GLU 16 HA GLU 16 2.808 -10.133 -3.877 92 HB2 GLU 16 HB2 GLU 16 2.068 -9.809 -1.753 93 HB3 GLU 16 HB3 GLU 16 3.805 -9.869 -1.470 94 HG2 GLU 16 HG2 GLU 16 3.839 -7.413 -1.294 95 HG3 GLU 16 HG3 GLU 16 2.078 -7.438 -1.399 96 H THR 17 H THR 17 0.835 -8.367 -3.723 97 HA THR 17 HA THR 17 1.729 -5.936 -5.164 98 HB THR 17 HB THR 17 1.060 -7.682 -6.793 99 HG1 THR 17 HG1 THR 17 0.491 -6.140 -7.923 100 HG21 THR 17 HG21 THR 17 -1.371 -8.180 -7.039 101 HG22 THR 17 HG22 THR 17 -1.655 -7.451 -5.440 102 HG23 THR 17 HG23 THR 17 -0.642 -8.894 -5.596 103 H MET 18 H MET 18 -0.347 -4.418 -5.342 104 HA MET 18 HA MET 18 -0.834 -3.715 -2.707 105 HB2 MET 18 HB2 MET 18 -2.151 -2.983 -5.339 106 HB3 MET 18 HB3 MET 18 -2.860 -2.391 -3.835 107 HG2 MET 18 HG2 MET 18 0.071 -2.019 -4.021 108 HG3 MET 18 HG3 MET 18 -0.855 -1.128 -5.220 109 HE1 MET 18 HE1 MET 18 -1.913 -0.585 -0.726 110 HE2 MET 18 HE2 MET 18 -2.713 -1.776 -1.741 111 HE3 MET 18 HE3 MET 18 -0.995 -1.977 -1.333 112 H GLU 19 H GLU 19 -2.841 -5.716 -4.914 113 HA GLU 19 HA GLU 19 -5.198 -5.874 -3.334 114 HB2 GLU 19 HB2 GLU 19 -3.941 -7.889 -5.243 115 HB3 GLU 19 HB3 GLU 19 -5.485 -8.152 -4.439 116 HG2 GLU 19 HG2 GLU 19 -6.386 -6.096 -5.483 117 HG3 GLU 19 HG3 GLU 19 -4.878 -5.921 -6.404 118 H SER 20 H SER 20 -2.252 -8.004 -3.320 119 HA SER 20 HA SER 20 -3.070 -9.907 -1.484 120 HB2 SER 20 HB2 SER 20 -0.264 -8.715 -1.658 121 HB3 SER 20 HB3 SER 20 -0.738 -10.369 -1.247 122 HG SER 20 HG SER 20 -0.108 -10.516 -3.254 123 H LEU 21 H LEU 21 -1.716 -6.682 -0.924 124 HA LEU 21 HA LEU 21 -1.244 -6.992 1.884 125 HB2 LEU 21 HB2 LEU 21 -2.088 -4.455 0.351 126 HB3 LEU 21 HB3 LEU 21 -1.387 -4.512 1.959 127 HG LEU 21 HG LEU 21 -0.153 -4.831 -0.744 128 HD11 LEU 21 HD11 LEU 21 0.731 -3.444 1.817 129 HD12 LEU 21 HD12 LEU 21 -0.255 -2.731 0.526 130 HD13 LEU 21 HD13 LEU 21 1.424 -3.238 0.195 131 HD21 LEU 21 HD21 LEU 21 0.999 -6.088 1.770 132 HD22 LEU 21 HD22 LEU 21 1.950 -5.679 0.311 133 HD23 LEU 21 HD23 LEU 21 0.627 -6.835 0.210 134 H ILE 22 H ILE 22 -3.935 -5.491 0.095 135 HA ILE 22 HA ILE 22 -5.540 -4.976 2.351 136 HB ILE 22 HB ILE 22 -6.328 -5.501 -0.562 137 HG12 ILE 22 HG12 ILE 22 -5.828 -2.799 0.769 138 HG13 ILE 22 HG13 ILE 22 -4.584 -3.629 -0.148 139 HG21 ILE 22 HG21 ILE 22 -8.232 -5.625 0.930 140 HG22 ILE 22 HG22 ILE 22 -7.724 -4.147 1.759 141 HG23 ILE 22 HG23 ILE 22 -8.321 -4.090 0.065 142 HD11 ILE 22 HD11 ILE 22 -7.217 -2.613 -1.229 143 HD12 ILE 22 HD12 ILE 22 -5.569 -2.098 -1.644 144 HD13 ILE 22 HD13 ILE 22 -6.131 -3.702 -2.133 145 H ASP 23 H ASP 23 -5.366 -7.871 0.203 146 HA ASP 23 HA ASP 23 -7.580 -9.253 1.250 147 HB2 ASP 23 HB2 ASP 23 -5.465 -9.796 -0.612 148 HB3 ASP 23 HB3 ASP 23 -5.494 -11.135 0.527 149 H LYS 24 H LYS 24 -4.548 -8.644 2.774 150 HA LYS 24 HA LYS 24 -5.128 -10.723 4.870 151 HB2 LYS 24 HB2 LYS 24 -2.916 -11.134 4.983 152 HB3 LYS 24 HB3 LYS 24 -2.804 -10.346 3.432 153 HG2 LYS 24 HG2 LYS 24 -1.144 -9.231 4.521 154 HG3 LYS 24 HG3 LYS 24 -2.444 -8.150 4.882 155 HD2 LYS 24 HD2 LYS 24 -2.513 -10.150 6.948 156 HD3 LYS 24 HD3 LYS 24 -0.814 -9.749 6.706 157 HE2 LYS 24 HE2 LYS 24 -1.067 -7.610 7.550 158 HE3 LYS 24 HE3 LYS 24 -2.711 -7.445 6.911 159 HZ1 LYS 24 HZ1 LYS 24 -1.996 -8.992 9.316 160 HZ2 LYS 24 HZ2 LYS 24 -3.533 -8.782 8.698 161 HZ3 LYS 24 HZ3 LYS 24 -2.707 -7.520 9.279 162 H GLY 25 H GLY 25 -5.212 -7.383 4.197 163 HA2 GLY 25 HA2 GLY 25 -6.239 -5.782 5.596 164 HA3 GLY 25 HA3 GLY 25 -5.839 -6.734 7.016 165 H LYS 26 H LYS 26 -3.568 -5.828 4.426 166 HA LYS 26 HA LYS 26 -1.806 -4.528 6.465 167 HB2 LYS 26 HB2 LYS 26 -1.336 -5.815 3.803 168 HB3 LYS 26 HB3 LYS 26 -0.330 -4.440 4.198 169 HG2 LYS 26 HG2 LYS 26 0.223 -5.631 6.375 170 HG3 LYS 26 HG3 LYS 26 -0.519 -7.056 5.646 171 HD2 LYS 26 HD2 LYS 26 1.524 -5.656 3.958 172 HD3 LYS 26 HD3 LYS 26 2.141 -6.378 5.427 173 HE2 LYS 26 HE2 LYS 26 0.344 -8.062 3.679 174 HE3 LYS 26 HE3 LYS 26 1.979 -7.734 3.111 175 HZ1 LYS 26 HZ1 LYS 26 1.524 -8.817 5.817 176 HZ2 LYS 26 HZ2 LYS 26 2.918 -8.702 4.999 177 HZ3 LYS 26 HZ3 LYS 26 1.848 -9.773 4.482 178 H LEU 27 H LEU 27 -3.606 -2.829 6.569 179 HA LEU 27 HA LEU 27 -3.550 -0.921 4.287 180 HB2 LEU 27 HB2 LEU 27 -5.149 -0.771 6.861 181 HB3 LEU 27 HB3 LEU 27 -5.227 0.336 5.505 182 HG LEU 27 HG LEU 27 -7.111 -0.971 5.259 183 HD11 LEU 27 HD11 LEU 27 -5.130 -2.390 3.422 184 HD12 LEU 27 HD12 LEU 27 -5.826 -0.781 3.101 185 HD13 LEU 27 HD13 LEU 27 -6.873 -2.220 3.194 186 HD21 LEU 27 HD21 LEU 27 -6.303 -2.842 6.806 187 HD22 LEU 27 HD22 LEU 27 -5.567 -3.557 5.368 188 HD23 LEU 27 HD23 LEU 27 -7.310 -3.318 5.415 189 H ASP 28 H ASP 28 -1.470 -1.539 6.670 190 HA ASP 28 HA ASP 28 -0.848 1.315 7.360 191 HB2 ASP 28 HB2 ASP 28 0.396 -1.243 8.430 192 HB3 ASP 28 HB3 ASP 28 0.876 0.382 8.884 193 H GLN 29 H GLN 29 -0.218 -0.683 4.754 194 HA GLN 29 HA GLN 29 2.254 0.679 4.104 195 HB2 GLN 29 HB2 GLN 29 3.309 -1.588 3.512 196 HB3 GLN 29 HB3 GLN 29 3.259 -1.122 5.197 197 HG2 GLN 29 HG2 GLN 29 0.880 -2.615 4.764 198 HG3 GLN 29 HG3 GLN 29 2.156 -3.446 3.907 199 HE21 GLN 29 HE21 GLN 29 4.355 -3.369 5.503 200 HE22 GLN 29 HE22 GLN 29 4.014 -3.649 7.185 201 H VAL 30 H VAL 30 2.831 0.067 1.820 202 HA VAL 30 HA VAL 30 0.553 -0.891 0.148 203 HB VAL 30 HB VAL 30 0.779 1.073 -1.314 204 HG11 VAL 30 HG11 VAL 30 -0.001 1.979 1.483 205 HG12 VAL 30 HG12 VAL 30 -0.629 2.531 -0.083 206 HG13 VAL 30 HG13 VAL 30 -0.982 0.897 0.503 207 HG21 VAL 30 HG21 VAL 30 2.025 2.924 -0.842 208 HG22 VAL 30 HG22 VAL 30 2.126 2.599 0.918 209 HG23 VAL 30 HG23 VAL 30 3.124 1.710 -0.227 210 H VAL 31 H VAL 31 1.272 -1.113 -2.298 211 HA VAL 31 HA VAL 31 4.118 -1.664 -2.417 212 HB VAL 31 HB VAL 31 2.335 -3.072 -4.301 213 HG11 VAL 31 HG11 VAL 31 4.885 -3.846 -3.011 214 HG12 VAL 31 HG12 VAL 31 3.958 -4.737 -4.247 215 HG13 VAL 31 HG13 VAL 31 4.649 -3.143 -4.650 216 HG21 VAL 31 HG21 VAL 31 2.381 -5.106 -2.707 217 HG22 VAL 31 HG22 VAL 31 2.996 -4.028 -1.471 218 HG23 VAL 31 HG23 VAL 31 1.349 -3.784 -2.112 219 H TYR 32 H TYR 32 5.169 -0.676 -4.150 220 HA TYR 32 HA TYR 32 3.746 0.487 -6.434 221 HB2 TYR 32 HB2 TYR 32 3.692 2.499 -5.114 222 HB3 TYR 32 HB3 TYR 32 5.244 2.107 -4.366 223 HD1 TYR 32 HD1 TYR 32 4.110 2.587 -7.943 224 HD2 TYR 32 HD2 TYR 32 7.031 3.529 -4.928 225 HE1 TYR 32 HE1 TYR 32 5.367 3.956 -9.567 226 HE2 TYR 32 HE2 TYR 32 8.334 4.837 -6.541 227 HH TYR 32 HH TYR 32 7.565 4.842 -9.968 228 H ASP 33 H ASP 33 5.113 0.208 -8.151 229 HA ASP 33 HA ASP 33 6.861 -0.559 -9.328 230 HB2 ASP 33 HB2 ASP 33 7.560 1.719 -8.653 231 HB3 ASP 33 HB3 ASP 33 8.431 1.047 -7.278 232 H ASP 34 H ASP 34 5.922 -2.315 -7.344 233 HA ASP 34 HA ASP 34 6.298 -4.325 -6.407 234 HB2 ASP 34 HB2 ASP 34 7.727 -4.451 -8.649 235 HB3 ASP 34 HB3 ASP 34 9.103 -4.481 -7.536 236 H GLN 35 H GLN 35 6.983 -1.918 -4.989 237 HA GLN 35 HA GLN 35 9.013 -2.974 -3.103 238 HB2 GLN 35 HB2 GLN 35 8.688 -0.056 -3.613 239 HB3 GLN 35 HB3 GLN 35 9.861 -0.880 -2.606 240 HG2 GLN 35 HG2 GLN 35 9.764 -0.589 -5.571 241 HG3 GLN 35 HG3 GLN 35 11.026 -0.282 -4.407 242 HE21 GLN 35 HE21 GLN 35 11.382 -2.813 -3.124 243 HE22 GLN 35 HE22 GLN 35 12.009 -3.857 -4.409 244 H LEU 36 H LEU 36 8.613 -2.789 -1.112 245 HA LEU 36 HA LEU 36 5.814 -2.155 -0.317 246 HB2 LEU 36 HB2 LEU 36 6.806 -4.494 -0.108 247 HB3 LEU 36 HB3 LEU 36 7.836 -3.875 1.167 248 HG LEU 36 HG LEU 36 5.686 -3.231 2.377 249 HD11 LEU 36 HD11 LEU 36 3.602 -4.360 1.677 250 HD12 LEU 36 HD12 LEU 36 4.413 -4.975 0.224 251 HD13 LEU 36 HD13 LEU 36 4.134 -3.237 0.419 252 HD21 LEU 36 HD21 LEU 36 5.244 -5.589 3.058 253 HD22 LEU 36 HD22 LEU 36 6.988 -5.271 2.901 254 HD23 LEU 36 HD23 LEU 36 6.136 -6.147 1.630 255 H TYR 37 H TYR 37 5.512 -0.318 0.753 256 HA TYR 37 HA TYR 37 7.704 0.609 2.522 257 HB2 TYR 37 HB2 TYR 37 5.685 2.523 1.412 258 HB3 TYR 37 HB3 TYR 37 7.219 2.866 2.194 259 HD1 TYR 37 HD1 TYR 37 9.367 1.806 0.793 260 HD2 TYR 37 HD2 TYR 37 5.591 3.172 -0.723 261 HE1 TYR 37 HE1 TYR 37 10.373 2.058 -1.463 262 HE2 TYR 37 HE2 TYR 37 6.540 3.323 -2.968 263 HH TYR 37 HH TYR 37 9.964 2.397 -3.686 264 H HIS 38 H HIS 38 7.158 1.128 4.593 265 HA HIS 38 HA HIS 38 4.514 0.470 5.632 266 HB2 HIS 38 HB2 HIS 38 7.288 0.275 6.428 267 HB3 HIS 38 HB3 HIS 38 6.531 1.330 7.574 268 HD1 HIS 38 HD1 HIS 38 7.451 -1.440 8.611 269 HD2 HIS 38 HD2 HIS 38 3.540 -0.444 7.306 270 HE1 HIS 38 HE1 HIS 38 5.845 -3.109 9.699 271 H LEU 39 H LEU 39 3.108 2.023 6.100 272 HA LEU 39 HA LEU 39 3.787 4.843 5.842 273 HB2 LEU 39 HB2 LEU 39 1.303 3.632 7.087 274 HB3 LEU 39 HB3 LEU 39 1.513 5.252 6.401 275 HG LEU 39 HG LEU 39 1.456 2.629 4.871 276 HD11 LEU 39 HD11 LEU 39 -0.669 3.489 4.008 277 HD12 LEU 39 HD12 LEU 39 -0.486 4.972 4.994 278 HD13 LEU 39 HD13 LEU 39 -0.711 3.390 5.769 279 HD21 LEU 39 HD21 LEU 39 1.894 5.462 3.861 280 HD22 LEU 39 HD22 LEU 39 1.365 4.103 2.828 281 HD23 LEU 39 HD23 LEU 39 2.917 4.021 3.652 282 H LYS 40 H LYS 40 4.648 6.070 7.453 283 HA LYS 40 HA LYS 40 4.717 4.950 10.223 284 HB2 LYS 40 HB2 LYS 40 6.312 7.260 9.039 285 HB3 LYS 40 HB3 LYS 40 6.571 6.544 10.625 286 HG2 LYS 40 HG2 LYS 40 6.977 5.236 7.924 287 HG3 LYS 40 HG3 LYS 40 8.257 5.857 8.921 288 HD2 LYS 40 HD2 LYS 40 6.537 3.695 10.127 289 HD3 LYS 40 HD3 LYS 40 7.603 3.318 8.811 290 HE2 LYS 40 HE2 LYS 40 8.901 2.793 10.628 291 HE3 LYS 40 HE3 LYS 40 9.542 4.345 10.088 292 HZ1 LYS 40 HZ1 LYS 40 9.270 4.078 12.498 293 HZ2 LYS 40 HZ2 LYS 40 7.673 3.949 12.374 294 HZ3 LYS 40 HZ3 LYS 40 8.422 5.384 11.978 295 H GLU 41 H GLU 41 4.266 8.006 8.519 296 HA GLU 41 HA GLU 41 2.084 8.735 10.417 297 HB2 GLU 41 HB2 GLU 41 2.966 10.795 11.089 298 HB3 GLU 41 HB3 GLU 41 4.199 9.606 11.408 299 HG2 GLU 41 HG2 GLU 41 4.541 10.793 8.709 300 HG3 GLU 41 HG3 GLU 41 4.388 12.019 9.950 301 H LYS 42 H LYS 42 0.961 10.692 9.896 302 HA LYS 42 HA LYS 42 0.454 10.965 6.999 303 HB2 LYS 42 HB2 LYS 42 -1.323 10.742 8.874 304 HB3 LYS 42 HB3 LYS 42 -0.993 12.428 9.258 305 HG2 LYS 42 HG2 LYS 42 -1.770 11.423 6.482 306 HG3 LYS 42 HG3 LYS 42 -2.966 11.888 7.687 307 HD2 LYS 42 HD2 LYS 42 -0.932 13.991 7.219 308 HD3 LYS 42 HD3 LYS 42 -1.820 13.518 5.767 309 HE2 LYS 42 HE2 LYS 42 -3.946 13.929 7.062 310 HE3 LYS 42 HE3 LYS 42 -2.953 14.543 8.396 311 HZ1 LYS 42 HZ1 LYS 42 -3.124 15.620 5.653 312 HZ2 LYS 42 HZ2 LYS 42 -2.033 16.183 6.783 313 HZ3 LYS 42 HZ3 LYS 42 -3.652 16.342 7.003 314 H VAL 43 H VAL 43 1.119 12.787 5.832 315 HA VAL 43 HA VAL 43 2.402 15.055 7.278 316 HB VAL 43 HB VAL 43 4.089 15.113 5.528 317 HG11 VAL 43 HG11 VAL 43 5.440 13.261 6.251 318 HG12 VAL 43 HG12 VAL 43 4.451 13.758 7.625 319 HG13 VAL 43 HG13 VAL 43 4.011 12.308 6.713 320 HG21 VAL 43 HG21 VAL 43 2.857 12.587 4.409 321 HG22 VAL 43 HG22 VAL 43 2.955 14.196 3.637 322 HG23 VAL 43 HG23 VAL 43 4.431 13.282 3.970 323 H ASP 44 H ASP 44 2.771 16.847 5.442 324 HA ASP 44 HA ASP 44 0.065 17.318 4.310 325 HB2 ASP 44 HB2 ASP 44 1.604 18.950 5.939 326 HB3 ASP 44 HB3 ASP 44 1.968 19.598 4.362 327 H GLU 45 H GLU 45 0.133 18.814 2.404 328 HA GLU 45 HA GLU 45 1.561 17.500 0.210 329 HB2 GLU 45 HB2 GLU 45 0.299 18.982 -1.214 330 HB3 GLU 45 HB3 GLU 45 -0.770 18.273 0.000 331 HG2 GLU 45 HG2 GLU 45 -0.398 20.427 1.396 332 HG3 GLU 45 HG3 GLU 45 0.400 21.094 -0.016 333 H ASP 46 H ASP 46 2.132 20.216 2.295 334 HA ASP 46 HA ASP 46 3.951 21.621 0.534 335 HB2 ASP 46 HB2 ASP 46 2.541 22.328 2.691 336 HB3 ASP 46 HB3 ASP 46 3.979 21.805 3.559 337 H LYS 47 H LYS 47 4.065 18.711 2.342 338 HA LYS 47 HA LYS 47 6.920 18.806 2.875 339 HB2 LYS 47 HB2 LYS 47 5.099 16.406 3.279 340 HB3 LYS 47 HB3 LYS 47 6.604 16.791 4.108 341 HG2 LYS 47 HG2 LYS 47 3.939 18.208 4.336 342 HG3 LYS 47 HG3 LYS 47 4.689 17.220 5.588 343 HD2 LYS 47 HD2 LYS 47 6.677 18.947 5.334 344 HD3 LYS 47 HD3 LYS 47 5.387 19.982 4.669 345 HE2 LYS 47 HE2 LYS 47 4.199 20.006 6.704 346 HE3 LYS 47 HE3 LYS 47 5.140 18.662 7.387 347 HZ1 LYS 47 HZ1 LYS 47 6.557 21.083 6.568 348 HZ2 LYS 47 HZ2 LYS 47 6.945 20.024 7.747 349 HZ3 LYS 47 HZ3 LYS 47 5.711 21.114 7.978 350 H LYS 48 H LYS 48 4.913 17.721 0.283 351 HA LYS 48 HA LYS 48 6.434 15.417 -0.468 352 HB2 LYS 48 HB2 LYS 48 5.332 15.546 -2.579 353 HB3 LYS 48 HB3 LYS 48 4.180 15.969 -1.316 354 HG2 LYS 48 HG2 LYS 48 4.954 18.468 -1.984 355 HG3 LYS 48 HG3 LYS 48 5.451 17.667 -3.475 356 HD2 LYS 48 HD2 LYS 48 3.205 16.742 -3.752 357 HD3 LYS 48 HD3 LYS 48 2.691 17.493 -2.229 358 HE2 LYS 48 HE2 LYS 48 3.946 19.202 -4.299 359 HE3 LYS 48 HE3 LYS 48 2.285 18.617 -4.608 360 HZ1 LYS 48 HZ1 LYS 48 1.492 19.871 -2.854 361 HZ2 LYS 48 HZ2 LYS 48 2.647 20.860 -3.438 362 HZ3 LYS 48 HZ3 LYS 48 2.956 19.998 -2.100 363 H GLY 49 H GLY 49 8.418 15.175 -1.327 364 HA2 GLY 49 HA2 GLY 49 10.123 17.493 -1.821 365 HA3 GLY 49 HA3 GLY 49 10.528 15.788 -2.055 366 H LYS 50 H LYS 50 8.948 14.803 -3.880 367 HA LYS 50 HA LYS 50 8.318 16.516 -6.149 368 HB2 LYS 50 HB2 LYS 50 9.956 15.211 -7.581 369 HB3 LYS 50 HB3 LYS 50 10.675 16.431 -6.507 370 HG2 LYS 50 HG2 LYS 50 11.658 14.896 -5.107 371 HG3 LYS 50 HG3 LYS 50 10.525 13.618 -5.477 372 HD2 LYS 50 HD2 LYS 50 12.929 13.350 -6.260 373 HD3 LYS 50 HD3 LYS 50 11.584 12.853 -7.312 374 HE2 LYS 50 HE2 LYS 50 11.768 14.697 -8.686 375 HE3 LYS 50 HE3 LYS 50 12.754 15.602 -7.515 376 HZ1 LYS 50 HZ1 LYS 50 14.561 14.051 -7.935 377 HZ2 LYS 50 HZ2 LYS 50 14.113 14.824 -9.302 378 HZ3 LYS 50 HZ3 LYS 50 13.653 13.257 -9.080 379 H VAL 51 H VAL 51 7.157 15.222 -7.785 380 HA VAL 51 HA VAL 51 5.860 12.809 -6.687 381 HB VAL 51 HB VAL 51 5.699 14.463 -9.219 382 HG11 VAL 51 HG11 VAL 51 4.346 11.751 -8.836 383 HG12 VAL 51 HG12 VAL 51 3.979 12.927 -10.124 384 HG13 VAL 51 HG13 VAL 51 5.559 12.162 -10.072 385 HG21 VAL 51 HG21 VAL 51 4.403 15.152 -7.227 386 HG22 VAL 51 HG22 VAL 51 3.361 14.698 -8.571 387 HG23 VAL 51 HG23 VAL 51 3.587 13.558 -7.231 388 H ILE 52 H ILE 52 6.304 10.712 -7.384 389 HA ILE 52 HA ILE 52 8.673 10.353 -9.158 390 HB ILE 52 HB ILE 52 9.458 8.518 -7.666 391 HG12 ILE 52 HG12 ILE 52 7.730 9.823 -5.517 392 HG13 ILE 52 HG13 ILE 52 7.287 8.321 -6.341 393 HG21 ILE 52 HG21 ILE 52 10.725 10.015 -6.206 394 HG22 ILE 52 HG22 ILE 52 10.513 10.769 -7.786 395 HG23 ILE 52 HG23 ILE 52 9.521 11.303 -6.414 396 HD11 ILE 52 HD11 ILE 52 9.721 8.758 -4.579 397 HD12 ILE 52 HD12 ILE 52 8.289 7.767 -4.251 398 HD13 ILE 52 HD13 ILE 52 9.409 7.282 -5.535 399 H GLY 53 H GLY 53 5.518 9.148 -7.978 400 HA2 GLY 53 HA2 GLY 53 5.098 7.681 -10.381 401 HA3 GLY 53 HA3 GLY 53 5.425 6.606 -9.006 402 H ALA 54 H ALA 54 2.895 6.215 -9.791 403 HA ALA 54 HA ALA 54 1.349 7.557 -7.756 404 HB1 ALA 54 HB1 ALA 54 -0.438 8.236 -9.294 405 HB2 ALA 54 HB2 ALA 54 1.080 8.892 -9.953 406 HB3 ALA 54 HB3 ALA 54 0.374 7.444 -10.652 407 H ILE 55 H ILE 55 0.071 6.072 -6.665 408 HA ILE 55 HA ILE 55 -0.107 3.365 -7.776 409 HB ILE 55 HB ILE 55 -1.153 4.686 -5.233 410 HG12 ILE 55 HG12 ILE 55 1.077 2.645 -5.666 411 HG13 ILE 55 HG13 ILE 55 1.294 4.360 -5.319 412 HG21 ILE 55 HG21 ILE 55 -1.811 2.499 -4.431 413 HG22 ILE 55 HG22 ILE 55 -2.697 2.936 -5.865 414 HG23 ILE 55 HG23 ILE 55 -1.350 1.757 -5.981 415 HD11 ILE 55 HD11 ILE 55 -0.083 3.949 -3.166 416 HD12 ILE 55 HD12 ILE 55 0.211 2.220 -3.472 417 HD13 ILE 55 HD13 ILE 55 1.567 3.313 -3.232 418 H GLY 56 H GLY 56 -2.456 5.894 -6.723 419 HA2 GLY 56 HA2 GLY 56 -4.517 6.514 -7.473 420 HA3 GLY 56 HA3 GLY 56 -3.976 6.022 -9.065 421 H GLN 57 H GLN 57 -3.999 3.272 -6.986 422 HA GLN 57 HA GLN 57 -6.189 2.096 -8.434 423 HB2 GLN 57 HB2 GLN 57 -4.620 1.069 -6.019 424 HB3 GLN 57 HB3 GLN 57 -5.696 0.141 -7.049 425 HG2 GLN 57 HG2 GLN 57 -4.007 1.039 -8.965 426 HG3 GLN 57 HG3 GLN 57 -2.905 1.113 -7.611 427 HE21 GLN 57 HE21 GLN 57 -1.615 -0.830 -7.574 428 HE22 GLN 57 HE22 GLN 57 -2.249 -2.404 -7.907 429 H THR 58 H THR 58 -7.957 0.905 -7.199 430 HA THR 58 HA THR 58 -8.809 2.183 -4.717 431 HB THR 58 HB THR 58 -10.723 2.085 -7.066 432 HG1 THR 58 HG1 THR 58 -9.626 3.759 -7.708 433 HG21 THR 58 HG21 THR 58 -11.839 2.057 -4.916 434 HG22 THR 58 HG22 THR 58 -12.002 3.683 -5.592 435 HG23 THR 58 HG23 THR 58 -10.816 3.368 -4.306 436 H PHE 59 H PHE 59 -9.869 0.670 -3.405 437 HA PHE 59 HA PHE 59 -11.018 -1.761 -4.617 438 HB2 PHE 59 HB2 PHE 59 -8.870 -1.805 -2.458 439 HB3 PHE 59 HB3 PHE 59 -9.754 -3.207 -3.032 440 HD1 PHE 59 HD1 PHE 59 -9.457 -3.966 -5.471 441 HD2 PHE 59 HD2 PHE 59 -6.846 -1.120 -3.556 442 HE1 PHE 59 HE1 PHE 59 -7.668 -4.455 -7.119 443 HE2 PHE 59 HE2 PHE 59 -5.049 -1.674 -5.171 444 HZ PHE 59 HZ PHE 59 -5.476 -3.351 -6.959 445 H PHE 60 H PHE 60 -12.044 -3.130 -2.687 446 HA PHE 60 HA PHE 60 -12.991 -1.377 -0.482 447 HB2 PHE 60 HB2 PHE 60 -14.692 -3.158 -2.235 448 HB3 PHE 60 HB3 PHE 60 -15.232 -2.310 -0.798 449 HD1 PHE 60 HD2 PHE 60 -15.443 0.198 -0.806 450 HD2 PHE 60 HD1 PHE 60 -14.339 -2.024 -4.333 451 HE1 PHE 60 HE2 PHE 60 -16.098 2.122 -2.212 452 HE2 PHE 60 HE1 PHE 60 -14.900 -0.101 -5.731 453 HZ PHE 60 HZ PHE 60 -15.875 1.965 -4.690 454 H VAL 61 H VAL 61 -13.566 -2.584 1.511 455 HA VAL 61 HA VAL 61 -13.301 -5.466 1.338 456 HB VAL 61 HB VAL 61 -12.036 -5.559 3.438 457 HG11 VAL 61 HG11 VAL 61 -9.855 -5.176 2.522 458 HG12 VAL 61 HG12 VAL 61 -10.911 -5.933 1.333 459 HG13 VAL 61 HG13 VAL 61 -10.546 -4.197 1.189 460 HG21 VAL 61 HG21 VAL 61 -10.745 -3.633 4.205 461 HG22 VAL 61 HG22 VAL 61 -11.541 -2.604 2.982 462 HG23 VAL 61 HG23 VAL 61 -12.493 -3.365 4.285 463 H ASP 62 H ASP 62 -14.194 -6.489 3.435 464 HA ASP 62 HA ASP 62 -16.590 -4.966 4.241 465 HB2 ASP 62 HB2 ASP 62 -17.676 -6.992 4.506 466 HB3 ASP 62 HB3 ASP 62 -16.606 -7.396 3.161 467 H GLY 63 H GLY 63 -17.322 -6.090 6.545 468 HA2 GLY 63 HA2 GLY 63 -15.840 -4.689 8.448 469 HA3 GLY 63 HA3 GLY 63 -17.077 -5.889 8.792 470 H ASP 64 H ASP 64 -15.278 -7.893 7.164 471 HA ASP 64 HA ASP 64 -13.508 -8.693 9.403 472 HB2 ASP 64 HB2 ASP 64 -15.288 -10.182 8.574 473 HB3 ASP 64 HB3 ASP 64 -14.528 -10.210 6.982 474 H GLY 65 H GLY 65 -13.349 -7.006 6.491 475 HA2 GLY 65 HA2 GLY 65 -11.466 -6.026 5.548 476 HA3 GLY 65 HA3 GLY 65 -10.427 -7.121 6.462 477 H LYS 66 H LYS 66 -13.106 -8.470 4.596 478 HA LYS 66 HA LYS 66 -11.300 -10.048 2.926 479 HB2 LYS 66 HB2 LYS 66 -14.331 -9.771 3.128 480 HB3 LYS 66 HB3 LYS 66 -13.513 -10.871 2.050 481 HG2 LYS 66 HG2 LYS 66 -13.192 -10.913 5.092 482 HG3 LYS 66 HG3 LYS 66 -14.356 -11.878 4.197 483 HD2 LYS 66 HD2 LYS 66 -11.328 -12.093 3.967 484 HD3 LYS 66 HD3 LYS 66 -12.428 -13.226 4.759 485 HE2 LYS 66 HE2 LYS 66 -13.634 -13.351 2.440 486 HE3 LYS 66 HE3 LYS 66 -12.175 -12.597 1.799 487 HZ1 LYS 66 HZ1 LYS 66 -12.456 -15.193 3.117 488 HZ2 LYS 66 HZ2 LYS 66 -10.969 -14.495 2.891 489 HZ3 LYS 66 HZ3 LYS 66 -11.943 -14.874 1.585 490 H ARG 67 H ARG 67 -10.943 -9.662 0.757 491 HA ARG 67 HA ARG 67 -11.507 -7.065 -0.372 492 HB2 ARG 67 HB2 ARG 67 -10.040 -9.570 -1.095 493 HB3 ARG 67 HB3 ARG 67 -10.756 -8.781 -2.472 494 HG2 ARG 67 HG2 ARG 67 -9.009 -7.369 -0.420 495 HG3 ARG 67 HG3 ARG 67 -8.382 -8.099 -1.896 496 HD2 ARG 67 HD2 ARG 67 -10.147 -5.670 -1.580 497 HD3 ARG 67 HD3 ARG 67 -8.584 -5.789 -2.382 498 HE ARG 67 HE ARG 67 -11.153 -6.077 -3.513 499 HH11 ARG 67 HH11 ARG 67 -8.181 -8.049 -3.778 500 HH12 ARG 67 HH12 ARG 67 -8.227 -8.044 -5.524 501 HH21 ARG 67 HH21 ARG 67 -11.353 -6.454 -5.802 502 HH22 ARG 67 HH22 ARG 67 -10.220 -7.456 -6.589 503 H TRP 68 H TRP 68 -13.386 -6.450 -1.226 504 HA TRP 68 HA TRP 68 -15.552 -8.352 -1.657 505 HB2 TRP 68 HB2 TRP 68 -15.146 -5.443 -2.411 506 HB3 TRP 68 HB3 TRP 68 -16.507 -6.354 -3.017 507 HD1 TRP 68 HD1 TRP 68 -15.138 -5.813 0.600 508 HE1 TRP 68 HE1 TRP 68 -17.145 -5.275 2.104 509 HE3 TRP 68 HE3 TRP 68 -18.894 -6.317 -2.837 510 HZ2 TRP 68 HZ2 TRP 68 -20.016 -5.384 1.906 511 HZ3 TRP 68 HZ3 TRP 68 -21.267 -6.212 -2.119 512 HH2 TRP 68 HH2 TRP 68 -21.824 -5.759 0.280 513 H SER 69 H SER 69 -16.058 -9.507 -3.571 514 HA SER 69 HA SER 69 -14.085 -9.251 -5.717 515 HB2 SER 69 HB2 SER 69 -16.414 -11.081 -6.016 516 HB3 SER 69 HB3 SER 69 -14.741 -11.292 -6.509 517 HG SER 69 HG SER 69 -14.234 -11.565 -4.217 518 H GLU 70 H GLU 70 -14.821 -9.077 -8.030 519 HA GLU 70 HA GLU 70 -16.363 -6.747 -8.443 520 HB2 GLU 70 HB2 GLU 70 -15.596 -8.890 -10.389 521 HB3 GLU 70 HB3 GLU 70 -16.306 -7.337 -10.823 522 HG2 GLU 70 HG2 GLU 70 -13.653 -7.722 -9.360 523 HG3 GLU 70 HG3 GLU 70 -13.899 -7.323 -11.059 524 H GLU 71 H GLU 71 -17.352 -10.100 -8.131 525 HA GLU 71 HA GLU 71 -19.876 -9.878 -9.489 526 HB2 GLU 71 HB2 GLU 71 -19.004 -11.877 -7.358 527 HB3 GLU 71 HB3 GLU 71 -20.414 -12.006 -8.435 528 HG2 GLU 71 HG2 GLU 71 -18.805 -11.894 -10.399 529 HG3 GLU 71 HG3 GLU 71 -17.477 -11.988 -9.225 530 H GLU 72 H GLU 72 -18.863 -9.555 -6.054 531 HA GLU 72 HA GLU 72 -21.586 -9.127 -5.124 532 HB2 GLU 72 HB2 GLU 72 -18.850 -8.745 -3.846 533 HB3 GLU 72 HB3 GLU 72 -20.348 -8.336 -3.037 534 HG2 GLU 72 HG2 GLU 72 -19.900 -10.536 -2.304 535 HG3 GLU 72 HG3 GLU 72 -21.196 -10.701 -3.487 536 H LEU 73 H LEU 73 -19.083 -7.143 -6.468 537 HA LEU 73 HA LEU 73 -20.187 -4.616 -5.502 538 HB2 LEU 73 HB2 LEU 73 -18.067 -5.279 -7.549 539 HB3 LEU 73 HB3 LEU 73 -18.473 -3.634 -7.044 540 HG LEU 73 HG LEU 73 -17.577 -5.816 -5.086 541 HD11 LEU 73 HD11 LEU 73 -15.403 -4.687 -5.096 542 HD12 LEU 73 HD12 LEU 73 -15.968 -3.601 -6.398 543 HD13 LEU 73 HD13 LEU 73 -15.835 -5.357 -6.672 544 HD21 LEU 73 HD21 LEU 73 -17.890 -2.841 -4.780 545 HD22 LEU 73 HD22 LEU 73 -17.119 -3.911 -3.577 546 HD23 LEU 73 HD23 LEU 73 -18.832 -4.101 -3.934 547 H LYS 74 H LYS 74 -21.116 -6.736 -7.944 548 HA LYS 74 HA LYS 74 -22.272 -4.638 -9.695 549 HB2 LYS 74 HB2 LYS 74 -22.753 -6.289 -11.223 550 HB3 LYS 74 HB3 LYS 74 -21.364 -7.000 -10.416 551 HG2 LYS 74 HG2 LYS 74 -23.275 -8.122 -8.894 552 HG3 LYS 74 HG3 LYS 74 -24.297 -7.749 -10.264 553 HD2 LYS 74 HD2 LYS 74 -23.086 -9.182 -11.723 554 HD3 LYS 74 HD3 LYS 74 -21.705 -9.286 -10.612 555 HE2 LYS 74 HE2 LYS 74 -23.012 -10.523 -8.965 556 HE3 LYS 74 HE3 LYS 74 -24.477 -10.326 -9.917 557 HZ1 LYS 74 HZ1 LYS 74 -23.480 -11.687 -11.651 558 HZ2 LYS 74 HZ2 LYS 74 -23.585 -12.495 -10.213 559 HZ3 LYS 74 HZ3 LYS 74 -22.143 -11.957 -10.755 560 H GLU 75 H GLU 75 -23.120 -6.309 -6.828 561 HA GLU 75 HA GLU 75 -25.957 -6.429 -7.126 562 HB2 GLU 75 HB2 GLU 75 -24.223 -6.489 -4.616 563 HB3 GLU 75 HB3 GLU 75 -25.889 -7.027 -4.731 564 HG2 GLU 75 HG2 GLU 75 -25.086 -8.552 -6.675 565 HG3 GLU 75 HG3 GLU 75 -23.476 -8.294 -6.014 566 HA PRO 76 HA PRO 76 -27.146 -2.317 -5.976 567 HB2 PRO 76 HB2 PRO 76 -29.623 -2.606 -4.910 568 HB3 PRO 76 HB3 PRO 76 -29.254 -3.212 -6.548 569 HG2 PRO 76 HG2 PRO 76 -29.350 -4.776 -3.966 570 HG3 PRO 76 HG3 PRO 76 -30.095 -5.182 -5.547 571 HD2 PRO 76 HD2 PRO 76 -27.649 -6.085 -4.624 572 HD3 PRO 76 HD3 PRO 76 -28.077 -6.015 -6.358 573 H TYR 77 H TYR 77 -28.380 -1.106 -3.973 574 HA TYR 77 HA TYR 77 -26.466 -1.093 -1.790 575 HB2 TYR 77 HB2 TYR 77 -29.221 0.194 -1.711 576 HB3 TYR 77 HB3 TYR 77 -27.779 0.639 -0.839 577 HD1 TYR 77 HD2 TYR 77 -25.743 0.784 -2.975 578 HD2 TYR 77 HD1 TYR 77 -29.863 1.998 -2.970 579 HE1 TYR 77 HE2 TYR 77 -25.275 2.273 -4.881 580 HE2 TYR 77 HE1 TYR 77 -29.451 3.435 -4.908 581 HH TYR 77 HH TYR 77 -26.303 3.478 -6.647 582 H ILE 78 H ILE 78 -29.917 -1.746 -1.996 583 HA ILE 78 HA ILE 78 -29.817 -3.974 -0.077 584 HB ILE 78 HB ILE 78 -31.693 -3.049 1.245 585 HG12 ILE 78 HG12 ILE 78 -31.201 -0.368 -0.135 586 HG13 ILE 78 HG13 ILE 78 -32.557 -1.437 -0.499 587 HG21 ILE 78 HG21 ILE 78 -30.413 -1.622 2.686 588 HG22 ILE 78 HG22 ILE 78 -29.302 -2.786 1.955 589 HG23 ILE 78 HG23 ILE 78 -29.351 -1.114 1.361 590 HD11 ILE 78 HD11 ILE 78 -32.036 -0.076 2.170 591 HD12 ILE 78 HD12 ILE 78 -33.309 0.292 0.997 592 HD13 ILE 78 HD13 ILE 78 -33.334 -1.258 1.860 593 H SER 79 H SER 79 -32.105 -4.969 -0.002 594 HA SER 79 HA SER 79 -33.889 -4.471 -2.227 595 HB2 SER 79 HB2 SER 79 -32.157 -6.976 -2.179 596 HB3 SER 79 HB3 SER 79 -33.668 -6.832 -3.100 597 HG SER 79 HG SER 79 -31.896 -4.733 -3.410 598 H ASN 80 H ASN 80 -33.516 -7.623 -0.760 599 HA ASN 80 HA ASN 80 -35.987 -7.169 0.818 600 HB2 ASN 80 HB2 ASN 80 -35.922 -9.716 0.995 601 HB3 ASN 80 HB3 ASN 80 -36.201 -9.029 -0.603 602 HD21 ASN 80 HD21 ASN 80 -33.602 -10.715 1.421 603 HD22 ASN 80 HD22 ASN 80 -32.679 -11.042 -0.027 604 H ASN 81 H ASN 81 -32.568 -7.314 1.454 605 HA ASN 81 HA ASN 81 -33.212 -7.683 4.347 606 HB2 ASN 81 HB2 ASN 81 -31.191 -9.165 2.687 607 HB3 ASN 81 HB3 ASN 81 -30.921 -8.887 4.401 608 HD21 ASN 81 HD21 ASN 81 -32.613 -9.629 5.957 609 HD22 ASN 81 HD22 ASN 81 -33.521 -11.064 5.526 610 HA PRO 82 HA PRO 82 -30.549 -4.015 3.620 611 HB2 PRO 82 HB2 PRO 82 -31.745 -2.256 5.320 612 HB3 PRO 82 HB3 PRO 82 -32.493 -2.705 3.761 613 HG2 PRO 82 HG2 PRO 82 -33.106 -3.862 6.504 614 HG3 PRO 82 HG3 PRO 82 -34.258 -3.263 5.271 615 HD2 PRO 82 HD2 PRO 82 -33.567 -5.928 5.562 616 HD3 PRO 82 HD3 PRO 82 -34.007 -5.220 3.979 617 H ASP 83 H ASP 83 -31.122 -5.840 6.524 618 HA ASP 83 HA ASP 83 -28.837 -4.506 7.882 619 HB2 ASP 83 HB2 ASP 83 -31.410 -5.102 8.762 620 HB3 ASP 83 HB3 ASP 83 -30.471 -6.415 9.425 621 H GLU 84 H GLU 84 -29.431 -7.309 6.100 622 HA GLU 84 HA GLU 84 -27.526 -8.991 7.659 623 HB2 GLU 84 HB2 GLU 84 -28.940 -9.622 5.049 624 HB3 GLU 84 HB3 GLU 84 -28.086 -10.760 6.069 625 HG2 GLU 84 HG2 GLU 84 -30.685 -9.337 6.794 626 HG3 GLU 84 HG3 GLU 84 -30.521 -10.982 6.201 627 H ILE 85 H ILE 85 -27.402 -6.653 5.189 628 HA ILE 85 HA ILE 85 -25.454 -7.796 3.429 629 HB ILE 85 HB ILE 85 -25.284 -5.583 2.493 630 HG12 ILE 85 HG12 ILE 85 -26.617 -4.617 5.068 631 HG13 ILE 85 HG13 ILE 85 -25.024 -4.188 4.440 632 HG21 ILE 85 HG21 ILE 85 -28.162 -5.886 3.371 633 HG22 ILE 85 HG22 ILE 85 -27.556 -5.272 1.819 634 HG23 ILE 85 HG23 ILE 85 -27.415 -6.996 2.201 635 HD11 ILE 85 HD11 ILE 85 -26.211 -3.130 2.454 636 HD12 ILE 85 HD12 ILE 85 -27.718 -3.336 3.379 637 HD13 ILE 85 HD13 ILE 85 -26.420 -2.331 4.032 638 H ARG 86 H ARG 86 -23.219 -7.131 3.177 639 HA ARG 86 HA ARG 86 -21.899 -6.683 5.780 640 HB2 ARG 86 HB2 ARG 86 -21.316 -8.306 3.481 641 HB3 ARG 86 HB3 ARG 86 -20.060 -7.079 3.563 642 HG2 ARG 86 HG2 ARG 86 -19.366 -9.032 4.797 643 HG3 ARG 86 HG3 ARG 86 -19.608 -7.690 5.927 644 HD2 ARG 86 HD2 ARG 86 -21.822 -8.634 6.569 645 HD3 ARG 86 HD3 ARG 86 -21.585 -9.962 5.414 646 HE ARG 86 HE ARG 86 -19.335 -10.132 6.886 647 HH11 ARG 86 HH11 ARG 86 -22.699 -9.811 8.010 648 HH12 ARG 86 HH12 ARG 86 -22.448 -10.656 9.466 649 HH21 ARG 86 HH21 ARG 86 -19.017 -11.382 8.758 650 HH22 ARG 86 HH22 ARG 86 -20.309 -11.639 9.894 651 H GLU 87 H GLU 87 -20.229 -5.045 6.073 652 HA GLU 87 HA GLU 87 -20.991 -2.591 4.807 653 HB2 GLU 87 HB2 GLU 87 -19.239 -1.499 6.033 654 HB3 GLU 87 HB3 GLU 87 -20.273 -2.473 7.089 655 HG2 GLU 87 HG2 GLU 87 -18.587 -4.187 7.116 656 HG3 GLU 87 HG3 GLU 87 -17.530 -3.272 6.026 657 H LYS 88 H LYS 88 -19.418 -1.121 3.687 658 HA LYS 88 HA LYS 88 -17.443 -2.609 2.009 659 HB2 LYS 88 HB2 LYS 88 -19.666 -2.228 0.862 660 HB3 LYS 88 HB3 LYS 88 -19.391 -0.496 1.027 661 HG2 LYS 88 HG2 LYS 88 -17.073 -1.132 -0.164 662 HG3 LYS 88 HG3 LYS 88 -18.001 -2.526 -0.713 663 HD2 LYS 88 HD2 LYS 88 -19.781 -0.623 -1.380 664 HD3 LYS 88 HD3 LYS 88 -18.322 0.408 -1.319 665 HE2 LYS 88 HE2 LYS 88 -17.212 -1.145 -2.918 666 HE3 LYS 88 HE3 LYS 88 -18.700 -2.101 -2.968 667 HZ1 LYS 88 HZ1 LYS 88 -19.799 -0.448 -4.092 668 HZ2 LYS 88 HZ2 LYS 88 -18.359 -0.495 -4.829 669 HZ3 LYS 88 HZ3 LYS 88 -18.681 0.732 -3.783 670 H LYS 89 H LYS 89 -15.602 -1.814 3.027 671 HA LYS 89 HA LYS 89 -15.321 0.993 3.749 672 HB2 LYS 89 HB2 LYS 89 -13.278 -1.258 3.895 673 HB3 LYS 89 HB3 LYS 89 -13.228 0.282 4.736 674 HG2 LYS 89 HG2 LYS 89 -15.278 -0.428 6.015 675 HG3 LYS 89 HG3 LYS 89 -15.206 -1.988 5.195 676 HD2 LYS 89 HD2 LYS 89 -12.859 -2.288 6.103 677 HD3 LYS 89 HD3 LYS 89 -13.131 -0.850 7.115 678 HE2 LYS 89 HE2 LYS 89 -15.011 -1.906 8.203 679 HE3 LYS 89 HE3 LYS 89 -15.040 -3.190 6.980 680 HZ1 LYS 89 HZ1 LYS 89 -12.702 -2.894 8.743 681 HZ2 LYS 89 HZ2 LYS 89 -13.235 -4.223 7.913 682 HZ3 LYS 89 HZ3 LYS 89 -14.026 -3.695 9.253 683 HA PRO 90 HA PRO 90 -13.495 1.376 -0.468 684 HB2 PRO 90 HB2 PRO 90 -13.398 4.112 -0.600 685 HB3 PRO 90 HB3 PRO 90 -14.921 3.209 -0.806 686 HG2 PRO 90 HG2 PRO 90 -13.897 4.577 1.662 687 HG3 PRO 90 HG3 PRO 90 -15.556 4.609 0.989 688 HD2 PRO 90 HD2 PRO 90 -14.822 2.925 3.065 689 HD3 PRO 90 HD3 PRO 90 -16.056 2.524 1.852 690 H LEU 91 H LEU 91 -11.367 1.623 -1.107 691 HA LEU 91 HA LEU 91 -9.360 2.826 0.762 692 HB2 LEU 91 HB2 LEU 91 -9.094 0.268 -0.877 693 HB3 LEU 91 HB3 LEU 91 -7.878 0.946 0.191 694 HG LEU 91 HG LEU 91 -10.589 -0.132 1.112 695 HD11 LEU 91 HD11 LEU 91 -9.306 -1.913 0.116 696 HD12 LEU 91 HD12 LEU 91 -9.304 -2.102 1.877 697 HD13 LEU 91 HD13 LEU 91 -7.864 -1.458 1.057 698 HD21 LEU 91 HD21 LEU 91 -9.530 1.481 2.723 699 HD22 LEU 91 HD22 LEU 91 -8.094 0.424 2.772 700 HD23 LEU 91 HD23 LEU 91 -9.659 -0.162 3.351 701 H ARG 92 H ARG 92 -9.133 4.736 -0.450 702 HA ARG 92 HA ARG 92 -8.786 4.539 -3.399 703 HB2 ARG 92 HB2 ARG 92 -9.631 6.743 -1.490 704 HB3 ARG 92 HB3 ARG 92 -9.014 7.102 -3.112 705 HG2 ARG 92 HG2 ARG 92 -10.713 5.738 -4.155 706 HG3 ARG 92 HG3 ARG 92 -11.377 5.247 -2.579 707 HD2 ARG 92 HD2 ARG 92 -12.241 7.374 -2.138 708 HD3 ARG 92 HD3 ARG 92 -11.079 8.177 -3.176 709 HE ARG 92 HE ARG 92 -12.229 7.468 -5.116 710 HH11 ARG 92 HH11 ARG 92 -14.198 6.737 -2.208 711 HH12 ARG 92 HH12 ARG 92 -15.662 6.536 -3.096 712 HH21 ARG 92 HH21 ARG 92 -14.150 7.400 -6.226 713 HH22 ARG 92 HH22 ARG 92 -15.592 6.794 -5.470 714 H TYR 93 H TYR 93 -6.695 4.191 -3.894 715 HA TYR 93 HA TYR 93 -4.576 5.399 -2.269 716 HB2 TYR 93 HB2 TYR 93 -4.484 3.565 -4.668 717 HB3 TYR 93 HB3 TYR 93 -3.101 4.160 -3.728 718 HD1 TYR 93 HD1 TYR 93 -2.619 3.336 -1.478 719 HD2 TYR 93 HD2 TYR 93 -6.069 1.915 -3.651 720 HE1 TYR 93 HE1 TYR 93 -3.004 1.619 0.249 721 HE2 TYR 93 HE2 TYR 93 -6.455 0.200 -1.879 722 HH TYR 93 HH TYR 93 -4.227 -0.282 0.868 723 H GLY 94 H GLY 94 -3.082 6.913 -2.952 724 HA2 GLY 94 HA2 GLY 94 -3.780 8.799 -4.906 725 HA3 GLY 94 HA3 GLY 94 -3.015 8.831 -3.333 726 H LYS 95 H LYS 95 -1.859 10.179 -5.344 727 HA LYS 95 HA LYS 95 0.047 8.658 -6.920 728 HB2 LYS 95 HB2 LYS 95 -0.903 10.763 -7.664 729 HB3 LYS 95 HB3 LYS 95 -0.259 11.605 -6.247 730 HG2 LYS 95 HG2 LYS 95 1.998 11.369 -7.028 731 HG3 LYS 95 HG3 LYS 95 1.515 10.242 -8.313 732 HD2 LYS 95 HD2 LYS 95 0.388 13.069 -8.163 733 HD3 LYS 95 HD3 LYS 95 1.971 12.763 -8.884 734 HE2 LYS 95 HE2 LYS 95 1.086 11.303 -10.556 735 HE3 LYS 95 HE3 LYS 95 -0.528 11.315 -9.814 736 HZ1 LYS 95 HZ1 LYS 95 0.697 13.815 -10.758 737 HZ2 LYS 95 HZ2 LYS 95 -0.865 13.506 -10.470 738 HZ3 LYS 95 HZ3 LYS 95 -0.180 12.820 -11.778 739 H VAL 96 H VAL 96 2.527 9.064 -6.535 740 HA VAL 96 HA VAL 96 3.109 9.081 -3.631 741 HB VAL 96 HB VAL 96 4.420 7.442 -5.843 742 HG11 VAL 96 HG11 VAL 96 4.758 7.323 -2.830 743 HG12 VAL 96 HG12 VAL 96 5.544 6.250 -4.006 744 HG13 VAL 96 HG13 VAL 96 5.973 7.962 -3.960 745 HG21 VAL 96 HG21 VAL 96 2.533 6.573 -3.591 746 HG22 VAL 96 HG22 VAL 96 2.165 6.551 -5.332 747 HG23 VAL 96 HG23 VAL 96 3.411 5.488 -4.680 748 H TYR 97 H TYR 97 4.915 10.162 -2.915 749 HA TYR 97 HA TYR 97 6.408 11.825 -4.841 750 HB2 TYR 97 HB2 TYR 97 5.600 12.719 -2.049 751 HB3 TYR 97 HB3 TYR 97 6.189 13.701 -3.351 752 HD1 TYR 97 HD2 TYR 97 3.230 11.846 -2.022 753 HD2 TYR 97 HD1 TYR 97 4.674 14.642 -4.966 754 HE1 TYR 97 HE2 TYR 97 0.894 12.328 -2.657 755 HE2 TYR 97 HE1 TYR 97 2.325 15.168 -5.616 756 HH TYR 97 HH TYR 97 -0.236 14.691 -4.139 757 H SER 98 H SER 98 8.475 12.653 -3.665 758 HA SER 98 HA SER 98 9.612 10.441 -2.012 759 HB2 SER 98 HB2 SER 98 10.602 11.575 -4.294 760 HB3 SER 98 HB3 SER 98 11.421 12.551 -3.086 761 HG SER 98 HG SER 98 12.224 10.528 -2.169 762 H THR 99 H THR 99 11.307 11.350 -0.412 763 HA THR 99 HA THR 99 10.007 13.440 1.247 764 HB THR 99 HB THR 99 11.436 12.426 3.055 765 HG1 THR 99 HG1 THR 99 12.035 10.521 1.038 766 HG21 THR 99 HG21 THR 99 9.092 11.806 2.925 767 HG22 THR 99 HG22 THR 99 10.071 10.401 3.377 768 HG23 THR 99 HG23 THR 99 9.461 10.545 1.725 769 H ASN 100 H ASN 100 12.096 14.381 2.731 770 HA ASN 100 HA ASN 100 13.460 16.147 0.834 771 HB2 ASN 100 HB2 ASN 100 12.432 16.764 3.166 772 HB3 ASN 100 HB3 ASN 100 13.913 16.117 3.844 773 HD21 ASN 100 HD21 ASN 100 15.986 17.073 2.742 774 HD22 ASN 100 HD22 ASN 100 15.935 18.758 2.283 775 H GLU 101 H GLU 101 14.323 13.798 0.102 776 HA GLU 101 HA GLU 101 16.732 12.876 1.494 777 HB2 GLU 101 HB2 GLU 101 15.388 12.049 -1.093 778 HB3 GLU 101 HB3 GLU 101 16.781 11.228 -0.370 779 HG2 GLU 101 HG2 GLU 101 15.469 10.214 1.249 780 HG3 GLU 101 HG3 GLU 101 14.288 11.528 1.244 781 H ASP 102 H ASP 102 16.053 13.610 -1.799 782 HA ASP 102 HA ASP 102 16.812 14.476 -3.524 783 HB2 ASP 102 HB2 ASP 102 18.292 16.098 -1.524 784 HB3 ASP 102 HB3 ASP 102 18.509 16.254 -3.253 785 H SER 103 H SER 103 18.570 12.424 -1.685 786 HA SER 103 HA SER 103 20.949 12.230 -3.388 787 HB2 SER 103 HB2 SER 103 21.560 10.505 -1.780 788 HB3 SER 103 HB3 SER 103 21.141 11.992 -0.937 789 HG SER 103 HG SER 103 20.303 9.838 -0.200 790 H ASP 104 H ASP 104 20.972 9.279 -3.290 791 HA ASP 104 HA ASP 104 18.846 8.764 -5.271 792 HB2 ASP 104 HB2 ASP 104 20.270 7.633 -6.545 793 HB3 ASP 104 HB3 ASP 104 21.446 8.671 -5.775 794 H ALA 105 H ALA 105 19.493 8.218 -2.097 795 HA ALA 105 HA ALA 105 19.251 5.640 -1.395 796 HB1 ALA 105 HB1 ALA 105 19.406 7.430 0.235 797 HB2 ALA 105 HB2 ALA 105 17.729 7.936 -0.097 798 HB3 ALA 105 HB3 ALA 105 18.066 6.355 0.639 799 H LYS 106 H LYS 106 16.157 7.519 -1.811 800 HA LYS 106 HA LYS 106 14.029 6.810 -2.252 801 HB2 LYS 106 HB2 LYS 106 15.494 4.774 -3.888 802 HB3 LYS 106 HB3 LYS 106 13.750 4.805 -3.739 803 HG2 LYS 106 HG2 LYS 106 14.107 7.459 -4.258 804 HG3 LYS 106 HG3 LYS 106 15.561 6.777 -5.023 805 HD2 LYS 106 HD2 LYS 106 13.950 6.800 -6.697 806 HD3 LYS 106 HD3 LYS 106 14.006 5.110 -6.121 807 HE2 LYS 106 HE2 LYS 106 11.943 5.440 -4.892 808 HE3 LYS 106 HE3 LYS 106 11.858 7.130 -5.427 809 HZ1 LYS 106 HZ1 LYS 106 12.005 4.824 -7.276 810 HZ2 LYS 106 HZ2 LYS 106 11.671 6.350 -7.701 811 HZ3 LYS 106 HZ3 LYS 106 10.590 5.414 -6.815 812 H ASP 107 H ASP 107 15.412 5.859 0.359 813 HA ASP 107 HA ASP 107 14.172 3.199 0.698 814 HB2 ASP 107 HB2 ASP 107 15.471 4.919 2.819 815 HB3 ASP 107 HB3 ASP 107 14.949 3.229 2.936 816 H GLU 108 H GLU 108 13.216 6.543 0.960 817 HA GLU 108 HA GLU 108 10.799 5.749 2.446 818 HB2 GLU 108 HB2 GLU 108 12.932 7.714 3.200 819 HB3 GLU 108 HB3 GLU 108 11.201 8.157 3.488 820 HG2 GLU 108 HG2 GLU 108 10.841 6.222 4.897 821 HG3 GLU 108 HG3 GLU 108 12.555 5.743 4.652 822 H ILE 109 H ILE 109 9.117 6.798 1.699 823 HA ILE 109 HA ILE 109 9.325 9.114 -0.114 824 HB ILE 109 HB ILE 109 8.028 7.910 -1.870 825 HG12 ILE 109 HG12 ILE 109 8.207 5.391 -1.872 826 HG13 ILE 109 HG13 ILE 109 8.496 5.463 -0.114 827 HG21 ILE 109 HG21 ILE 109 10.661 6.545 -1.352 828 HG22 ILE 109 HG22 ILE 109 9.830 6.728 -2.880 829 HG23 ILE 109 HG23 ILE 109 10.477 8.164 -2.060 830 HD11 ILE 109 HD11 ILE 109 6.144 6.994 -1.235 831 HD12 ILE 109 HD12 ILE 109 6.020 5.266 -1.238 832 HD13 ILE 109 HD13 ILE 109 6.313 6.132 0.295 833 H ILE 110 H ILE 110 6.706 9.426 -0.868 834 HA ILE 110 HA ILE 110 5.122 9.219 1.619 835 HB ILE 110 HB ILE 110 5.142 11.602 -0.243 836 HG12 ILE 110 HG12 ILE 110 6.789 11.099 2.253 837 HG13 ILE 110 HG13 ILE 110 7.393 11.457 0.632 838 HG21 ILE 110 HG21 ILE 110 4.183 11.287 2.623 839 HG22 ILE 110 HG22 ILE 110 3.948 12.697 1.558 840 HG23 ILE 110 HG23 ILE 110 3.129 11.172 1.197 841 HD11 ILE 110 HD11 ILE 110 6.038 13.377 2.479 842 HD12 ILE 110 HD12 ILE 110 7.700 13.383 1.867 843 HD13 ILE 110 HD13 ILE 110 6.351 13.663 0.736 844 H VAL 111 H VAL 111 3.417 8.019 1.247 845 HA VAL 111 HA VAL 111 2.289 7.658 -1.481 846 HB VAL 111 HB VAL 111 1.818 6.149 1.109 847 HG11 VAL 111 HG11 VAL 111 1.062 5.320 -1.719 848 HG12 VAL 111 HG12 VAL 111 0.675 4.473 -0.192 849 HG13 VAL 111 HG13 VAL 111 -0.098 5.972 -0.543 850 HG21 VAL 111 HG21 VAL 111 3.288 4.414 0.137 851 HG22 VAL 111 HG22 VAL 111 3.656 5.527 -1.205 852 HG23 VAL 111 HG23 VAL 111 4.108 5.894 0.482 853 H GLU 112 H GLU 112 0.260 8.613 -1.962 854 HA GLU 112 HA GLU 112 -1.143 9.984 0.220 855 HB2 GLU 112 HB2 GLU 112 -0.894 11.061 -1.908 856 HB3 GLU 112 HB3 GLU 112 -1.445 9.735 -2.718 857 HG2 GLU 112 HG2 GLU 112 -3.768 10.130 -1.493 858 HG3 GLU 112 HG3 GLU 112 -3.087 11.633 -0.933 859 H PHE 113 H PHE 113 -3.174 9.304 1.041 860 HA PHE 113 HA PHE 113 -4.644 7.135 -0.232 861 HB2 PHE 113 HB2 PHE 113 -2.945 6.108 1.321 862 HB3 PHE 113 HB3 PHE 113 -3.705 6.950 2.673 863 HD1 PHE 113 HD2 PHE 113 -4.732 4.882 -0.301 864 HD2 PHE 113 HD1 PHE 113 -5.161 5.512 3.939 865 HE1 PHE 113 HE2 PHE 113 -6.272 3.039 -0.231 866 HE2 PHE 113 HE1 PHE 113 -6.711 3.606 4.043 867 HZ PHE 113 HZ PHE 113 -7.320 2.366 1.983 868 H ASN 114 H ASN 114 -6.842 7.286 0.345 869 HA ASN 114 HA ASN 114 -8.734 8.504 0.821 870 HB2 ASN 114 HB2 ASN 114 -7.371 8.635 3.538 871 HB3 ASN 114 HB3 ASN 114 -9.066 8.953 3.247 872 HD21 ASN 114 HD21 ASN 114 -10.106 6.930 1.787 873 HD22 ASN 114 HD22 ASN 114 -9.840 5.470 2.720 874 H ARG 115 H ARG 115 -6.866 10.165 -0.495 875 HA ARG 115 HA ARG 115 -6.516 12.319 -1.040 876 HB2 ARG 115 HB2 ARG 115 -8.708 13.182 0.830 877 HB3 ARG 115 HB3 ARG 115 -8.128 13.975 -0.617 878 HG2 ARG 115 HG2 ARG 115 -9.860 13.063 -1.671 879 HG3 ARG 115 HG3 ARG 115 -9.002 11.526 -1.616 880 HD2 ARG 115 HD2 ARG 115 -11.263 11.221 -0.804 881 HD3 ARG 115 HD3 ARG 115 -10.156 11.015 0.559 882 HE ARG 115 HE ARG 115 -10.975 13.733 0.456 883 HH11 ARG 115 HH11 ARG 115 -12.283 10.555 1.464 884 HH12 ARG 115 HH12 ARG 115 -13.332 11.254 2.647 885 HH21 ARG 115 HH21 ARG 115 -12.426 14.609 1.850 886 HH22 ARG 115 HH22 ARG 115 -13.471 13.623 2.822 887 H GLU 116 H GLU 116 -5.043 11.222 1.440 888 HA GLU 116 HA GLU 116 -3.997 13.823 2.345 889 HB2 GLU 116 HB2 GLU 116 -4.780 11.436 4.066 890 HB3 GLU 116 HB3 GLU 116 -3.679 12.694 4.613 891 HG2 GLU 116 HG2 GLU 116 -6.596 13.077 3.843 892 HG3 GLU 116 HG3 GLU 116 -5.942 13.042 5.479 893 H TYR 117 H TYR 117 -1.725 13.632 2.854 894 HA TYR 117 HA TYR 117 -0.405 11.413 1.408 895 HB2 TYR 117 HB2 TYR 117 0.652 14.062 2.411 896 HB3 TYR 117 HB3 TYR 117 1.563 12.875 1.497 897 HD1 TYR 117 HD1 TYR 117 -1.567 12.686 -0.048 898 HD2 TYR 117 HD2 TYR 117 1.777 15.356 0.353 899 HE1 TYR 117 HE1 TYR 117 -2.358 13.879 -2.020 900 HE2 TYR 117 HE2 TYR 117 0.984 16.538 -1.723 901 HH TYR 117 HH TYR 117 -2.088 15.922 -3.246 902 H TYR 118 H TYR 118 0.883 9.892 2.352 903 HA TYR 118 HA TYR 118 1.398 10.138 5.290 904 HB2 TYR 118 HB2 TYR 118 0.575 7.693 3.702 905 HB3 TYR 118 HB3 TYR 118 1.158 7.663 5.356 906 HD1 TYR 118 HD1 TYR 118 -1.670 8.811 3.185 907 HD2 TYR 118 HD2 TYR 118 -0.206 8.290 7.215 908 HE1 TYR 118 HE1 TYR 118 -3.915 9.287 4.054 909 HE2 TYR 118 HE2 TYR 118 -2.452 8.724 8.096 910 HH TYR 118 HH TYR 118 -5.289 8.878 6.203 911 H ARG 119 H ARG 119 3.478 9.933 5.848 912 HA ARG 119 HA ARG 119 5.501 9.479 3.793 913 HB2 ARG 119 HB2 ARG 119 5.768 11.037 5.735 914 HB3 ARG 119 HB3 ARG 119 5.809 9.656 6.839 915 HG2 ARG 119 HG2 ARG 119 7.652 9.749 4.437 916 HG3 ARG 119 HG3 ARG 119 7.984 10.802 5.813 917 HD2 ARG 119 HD2 ARG 119 7.817 7.775 6.034 918 HD3 ARG 119 HD3 ARG 119 9.287 8.724 5.814 919 HE ARG 119 HE ARG 119 7.560 9.372 8.158 920 HH11 ARG 119 HH11 ARG 119 10.666 7.967 7.168 921 HH12 ARG 119 HH12 ARG 119 10.921 7.136 8.651 922 HH21 ARG 119 HH21 ARG 119 8.090 8.803 10.116 923 HH22 ARG 119 HH22 ARG 119 9.479 7.822 10.518 924 H ALA 120 H ALA 120 6.506 7.572 3.348 925 HA ALA 120 HA ALA 120 5.916 5.296 5.111 926 HB1 ALA 120 HB1 ALA 120 5.324 3.900 3.341 927 HB2 ALA 120 HB2 ALA 120 4.503 5.431 2.970 928 HB3 ALA 120 HB3 ALA 120 5.997 5.001 2.118 929 H VAL 121 H VAL 121 7.518 3.516 4.965 930 HA VAL 121 HA VAL 121 10.172 4.263 3.832 931 HB VAL 121 HB VAL 121 10.067 4.779 6.183 932 HG11 VAL 121 HG11 VAL 121 9.741 3.284 7.932 933 HG12 VAL 121 HG12 VAL 121 8.319 3.623 6.934 934 HG13 VAL 121 HG13 VAL 121 9.165 2.038 6.799 935 HG21 VAL 121 HG21 VAL 121 12.191 3.694 5.209 936 HG22 VAL 121 HG22 VAL 121 12.009 3.672 6.968 937 HG23 VAL 121 HG23 VAL 121 11.652 2.208 6.043 938 H LEU 122 H LEU 122 11.361 2.674 2.975 939 HA LEU 122 HA LEU 122 10.207 0.341 1.940 940 HB2 LEU 122 HB2 LEU 122 12.087 1.761 1.073 941 HB3 LEU 122 HB3 LEU 122 13.137 1.109 2.338 942 HG LEU 122 HG LEU 122 12.868 -1.159 1.407 943 HD11 LEU 122 HD11 LEU 122 11.854 -1.361 -0.920 944 HD12 LEU 122 HD12 LEU 122 11.158 0.237 -0.667 945 HD13 LEU 122 HD13 LEU 122 10.670 -1.118 0.375 946 HD21 LEU 122 HD21 LEU 122 14.648 0.430 0.541 947 HD22 LEU 122 HD22 LEU 122 13.520 0.934 -0.721 948 HD23 LEU 122 HD23 LEU 122 14.130 -0.732 -0.705 949 H ILE 123 H ILE 123 9.750 -1.572 2.860 950 HA ILE 123 HA ILE 123 10.522 -2.024 5.649 951 HB ILE 123 HB ILE 123 8.647 -3.385 3.670 952 HG12 ILE 123 HG12 ILE 123 7.882 -2.055 6.278 953 HG13 ILE 123 HG13 ILE 123 8.198 -1.040 4.882 954 HG21 ILE 123 HG21 ILE 123 7.768 -4.650 5.651 955 HG22 ILE 123 HG22 ILE 123 9.418 -5.105 5.241 956 HG23 ILE 123 HG23 ILE 123 9.122 -4.022 6.615 957 HD11 ILE 123 HD11 ILE 123 6.260 -3.343 4.610 958 HD12 ILE 123 HD12 ILE 123 5.756 -1.764 5.238 959 HD13 ILE 123 HD13 ILE 123 6.477 -1.868 3.634 960 H LYS 124 H LYS 124 10.731 -3.583 2.504 961 HA LYS 124 HA LYS 124 12.239 -5.848 3.168 962 HB2 LYS 124 HB2 LYS 124 12.437 -6.031 0.805 963 HB3 LYS 124 HB3 LYS 124 10.821 -5.549 1.191 964 HG2 LYS 124 HG2 LYS 124 10.969 -3.756 -0.136 965 HG3 LYS 124 HG3 LYS 124 12.418 -3.179 0.667 966 HD2 LYS 124 HD2 LYS 124 12.563 -5.384 -1.403 967 HD3 LYS 124 HD3 LYS 124 12.537 -3.681 -1.864 968 HE2 LYS 124 HE2 LYS 124 14.622 -3.221 -1.128 969 HE3 LYS 124 HE3 LYS 124 14.497 -4.329 0.240 970 HZ1 LYS 124 HZ1 LYS 124 15.001 -5.207 -2.551 971 HZ2 LYS 124 HZ2 LYS 124 14.878 -6.169 -1.201 972 HZ3 LYS 124 HZ3 LYS 124 16.093 -5.111 -1.329 973 H ASN 125 H ASN 125 13.339 -2.742 3.420 974 HA ASN 125 HA ASN 125 16.167 -3.371 2.670 975 HB2 ASN 125 HB2 ASN 125 15.527 -1.381 1.575 976 HB3 ASN 125 HB3 ASN 125 14.649 -0.762 2.993 977 HD21 ASN 125 HD21 ASN 125 15.714 0.949 3.902 978 HD22 ASN 125 HD22 ASN 125 17.449 1.141 3.881 979 H GLU 126 H GLU 126 14.039 -1.867 5.193 980 HA GLU 126 HA GLU 126 16.159 -2.012 7.144 981 HB2 GLU 126 HB2 GLU 126 14.620 -0.985 8.650 982 HB3 GLU 126 HB3 GLU 126 14.502 -0.181 7.090 983 HG2 GLU 126 HG2 GLU 126 12.451 -1.642 6.646 984 HG3 GLU 126 HG3 GLU 126 12.526 -2.130 8.333 985 H LYS 127 H LYS 127 15.125 -3.019 9.409 986 HA LYS 127 HA LYS 127 14.160 -5.750 8.743 987 HB2 LYS 127 HB2 LYS 127 15.744 -6.725 10.271 988 HB3 LYS 127 HB3 LYS 127 16.529 -5.873 8.934 989 HG2 LYS 127 HG2 LYS 127 17.115 -3.996 10.382 990 HG3 LYS 127 HG3 LYS 127 16.232 -4.729 11.736 991 HD2 LYS 127 HD2 LYS 127 17.764 -6.706 11.644 992 HD3 LYS 127 HD3 LYS 127 18.600 -5.983 10.267 993 HE2 LYS 127 HE2 LYS 127 19.870 -5.645 12.311 994 HE3 LYS 127 HE3 LYS 127 19.343 -4.104 11.636 995 HZ1 LYS 127 HZ1 LYS 127 17.857 -5.432 13.801 996 HZ2 LYS 127 HZ2 LYS 127 17.751 -3.866 13.310 997 HZ3 LYS 127 HZ3 LYS 127 19.111 -4.355 14.057 998 H GLU 128 H GLU 128 12.808 -3.281 9.752 999 HA GLU 128 HA GLU 128 11.982 -4.102 12.475 1000 HB2 GLU 128 HB2 GLU 128 11.579 -1.602 10.783 1001 HB3 GLU 128 HB3 GLU 128 10.534 -1.980 12.156 1002 HG2 GLU 128 HG2 GLU 128 12.692 -2.318 13.531 1003 HG3 GLU 128 HG3 GLU 128 13.550 -1.564 12.197 Start of MODEL 6 1 H1 GLY 1 H GLY 1 19.588 -36.234 4.997 2 HA2 GLY 1 HA2 GLY 1 22.223 -37.560 5.389 3 HA3 GLY 1 HA3 GLY 1 21.573 -37.049 3.807 4 H SER 2 H SER 2 23.544 -35.602 3.559 5 HA SER 2 HA SER 2 23.062 -32.975 4.612 6 HB2 SER 2 HB2 SER 2 25.589 -32.961 5.319 7 HB3 SER 2 HB3 SER 2 24.386 -33.600 6.451 8 HG SER 2 HG SER 2 26.310 -34.914 6.138 9 H THR 3 H THR 3 24.741 -31.492 3.467 10 HA THR 3 HA THR 3 25.975 -32.537 1.068 11 HB THR 3 HB THR 3 24.719 -30.389 -0.007 12 HG1 THR 3 HG1 THR 3 22.455 -30.715 0.466 13 HG21 THR 3 HG21 THR 3 23.243 -31.908 -1.197 14 HG22 THR 3 HG22 THR 3 23.512 -33.175 0.020 15 HG23 THR 3 HG23 THR 3 24.848 -32.624 -1.015 16 H MET 4 H MET 4 27.249 -30.635 0.062 17 HA MET 4 HA MET 4 27.854 -28.458 1.916 18 HB2 MET 4 HB2 MET 4 29.272 -30.369 2.705 19 HB3 MET 4 HB3 MET 4 30.018 -30.457 1.102 20 HG2 MET 4 HG2 MET 4 30.845 -28.140 1.370 21 HG3 MET 4 HG3 MET 4 30.028 -28.018 2.934 22 HE1 MET 4 HE1 MET 4 33.818 -28.008 3.924 23 HE2 MET 4 HE2 MET 4 33.088 -27.276 2.477 24 HE3 MET 4 HE3 MET 4 32.259 -27.161 4.049 25 H HIS 5 H HIS 5 26.656 -27.587 0.024 26 HA HIS 5 HA HIS 5 28.494 -26.953 -2.213 27 HB2 HIS 5 HB2 HIS 5 25.527 -27.536 -2.526 28 HB3 HIS 5 HB3 HIS 5 26.707 -27.236 -3.801 29 HD1 HIS 5 HD1 HIS 5 28.945 -29.332 -3.012 30 HD2 HIS 5 HD2 HIS 5 24.798 -30.019 -2.790 31 HE1 HIS 5 HE1 HIS 5 28.625 -31.856 -3.185 32 H PHE 6 H PHE 6 27.469 -24.953 -3.430 33 HA PHE 6 HA PHE 6 26.382 -23.100 -1.365 34 HB2 PHE 6 HB2 PHE 6 28.398 -22.608 -3.572 35 HB3 PHE 6 HB3 PHE 6 27.564 -21.323 -2.708 36 HD1 PHE 6 HD1 PHE 6 30.095 -24.017 -2.364 37 HD2 PHE 6 HD2 PHE 6 28.007 -20.815 -0.368 38 HE1 PHE 6 HE1 PHE 6 31.684 -24.157 -0.462 39 HE2 PHE 6 HE2 PHE 6 29.595 -20.953 1.522 40 HZ PHE 6 HZ PHE 6 31.438 -22.629 1.488 41 H THR 7 H THR 7 25.130 -21.252 -2.287 42 HA THR 7 HA THR 7 23.545 -22.059 -4.664 43 HB THR 7 HB THR 7 21.688 -20.816 -3.332 44 HG1 THR 7 HG1 THR 7 21.943 -20.708 -1.184 45 HG21 THR 7 HG21 THR 7 21.085 -22.897 -2.126 46 HG22 THR 7 HG22 THR 7 22.731 -23.517 -2.372 47 HG23 THR 7 HG23 THR 7 21.663 -23.245 -3.763 48 H ASP 8 H ASP 8 22.292 -20.143 -5.509 49 HA ASP 8 HA ASP 8 24.188 -17.936 -6.030 50 HB2 ASP 8 HB2 ASP 8 23.019 -19.500 -7.793 51 HB3 ASP 8 HB3 ASP 8 21.574 -18.564 -7.428 52 H ASP 9 H ASP 9 22.986 -15.748 -6.458 53 HA ASP 9 HA ASP 9 21.552 -15.047 -4.049 54 HB2 ASP 9 HB2 ASP 9 21.289 -13.037 -6.129 55 HB3 ASP 9 HB3 ASP 9 22.038 -12.926 -4.559 56 H ASN 10 H ASN 10 19.336 -14.046 -4.099 57 HA ASN 10 HA ASN 10 17.638 -14.935 -6.350 58 HB2 ASN 10 HB2 ASN 10 17.445 -16.669 -4.509 59 HB3 ASN 10 HB3 ASN 10 16.818 -15.393 -3.452 60 HD21 ASN 10 HD21 ASN 10 14.572 -16.344 -3.296 61 HD22 ASN 10 HD22 ASN 10 13.616 -16.259 -4.759 62 H GLU 11 H GLU 11 15.358 -13.981 -5.917 63 HA GLU 11 HA GLU 11 15.278 -11.309 -6.383 64 HB2 GLU 11 HB2 GLU 11 12.897 -11.547 -6.129 65 HB3 GLU 11 HB3 GLU 11 13.511 -13.096 -6.699 66 HG2 GLU 11 HG2 GLU 11 13.590 -13.642 -4.065 67 HG3 GLU 11 HG3 GLU 11 12.421 -12.333 -3.979 68 H ASN 12 H ASN 12 14.461 -9.437 -5.180 69 HA ASN 12 HA ASN 12 14.736 -9.634 -2.237 70 HB2 ASN 12 HB2 ASN 12 16.828 -8.704 -3.477 71 HB3 ASN 12 HB3 ASN 12 15.836 -7.267 -3.764 72 HD21 ASN 12 HD21 ASN 12 15.721 -5.771 -2.024 73 HD22 ASN 12 HD22 ASN 12 16.504 -6.068 -0.479 74 H ASP 13 H ASP 13 12.674 -9.114 -4.572 75 HA ASP 13 HA ASP 13 11.404 -6.630 -3.766 76 HB2 ASP 13 HB2 ASP 13 9.588 -7.280 -5.282 77 HB3 ASP 13 HB3 ASP 13 11.171 -7.370 -6.044 78 H THR 14 H THR 14 8.803 -7.021 -3.353 79 HA THR 14 HA THR 14 8.756 -8.286 -0.668 80 HB THR 14 HB THR 14 7.955 -6.070 -0.891 81 HG1 THR 14 HG1 THR 14 5.891 -7.963 -0.453 82 HG21 THR 14 HG21 THR 14 7.194 -5.773 -3.143 83 HG22 THR 14 HG22 THR 14 5.780 -5.599 -2.087 84 HG23 THR 14 HG23 THR 14 6.012 -7.088 -2.993 85 H SER 15 H SER 15 7.871 -8.955 -3.731 86 HA SER 15 HA SER 15 6.884 -10.664 -4.908 87 HB2 SER 15 HB2 SER 15 8.338 -12.064 -3.519 88 HB3 SER 15 HB3 SER 15 7.129 -12.093 -2.234 89 HG SER 15 HG SER 15 5.727 -12.961 -4.012 90 H GLU 16 H GLU 16 5.174 -8.579 -3.714 91 HA GLU 16 HA GLU 16 2.640 -9.930 -4.030 92 HB2 GLU 16 HB2 GLU 16 1.771 -9.503 -1.911 93 HB3 GLU 16 HB3 GLU 16 3.405 -10.007 -1.576 94 HG2 GLU 16 HG2 GLU 16 4.149 -7.732 -1.287 95 HG3 GLU 16 HG3 GLU 16 2.458 -7.212 -1.357 96 H THR 17 H THR 17 0.913 -8.233 -4.174 97 HA THR 17 HA THR 17 1.974 -5.624 -5.137 98 HB THR 17 HB THR 17 1.228 -7.255 -6.898 99 HG1 THR 17 HG1 THR 17 0.868 -5.446 -7.864 100 HG21 THR 17 HG21 THR 17 -0.987 -7.968 -7.099 101 HG22 THR 17 HG22 THR 17 -1.612 -6.673 -6.055 102 HG23 THR 17 HG23 THR 17 -0.768 -8.064 -5.355 103 H MET 18 H MET 18 -0.100 -4.046 -5.236 104 HA MET 18 HA MET 18 -0.705 -3.473 -2.596 105 HB2 MET 18 HB2 MET 18 -1.917 -2.714 -5.257 106 HB3 MET 18 HB3 MET 18 -2.825 -2.265 -3.825 107 HG2 MET 18 HG2 MET 18 0.051 -1.618 -3.723 108 HG3 MET 18 HG3 MET 18 -0.864 -0.732 -4.924 109 HE1 MET 18 HE1 MET 18 -1.193 -1.846 -1.110 110 HE2 MET 18 HE2 MET 18 -2.302 -0.598 -0.511 111 HE3 MET 18 HE3 MET 18 -2.881 -1.797 -1.662 112 H GLU 19 H GLU 19 -2.568 -5.453 -4.899 113 HA GLU 19 HA GLU 19 -5.020 -5.720 -3.484 114 HB2 GLU 19 HB2 GLU 19 -3.483 -7.616 -5.328 115 HB3 GLU 19 HB3 GLU 19 -5.009 -8.049 -4.612 116 HG2 GLU 19 HG2 GLU 19 -6.059 -6.037 -5.698 117 HG3 GLU 19 HG3 GLU 19 -4.523 -5.746 -6.528 118 H SER 20 H SER 20 -2.124 -7.902 -3.454 119 HA SER 20 HA SER 20 -2.936 -9.807 -1.699 120 HB2 SER 20 HB2 SER 20 -0.160 -8.615 -1.924 121 HB3 SER 20 HB3 SER 20 -0.559 -10.295 -1.501 122 HG SER 20 HG SER 20 -1.269 -10.615 -3.607 123 H LEU 21 H LEU 21 -1.859 -6.566 -0.977 124 HA LEU 21 HA LEU 21 -1.276 -7.049 1.834 125 HB2 LEU 21 HB2 LEU 21 -2.034 -4.476 0.356 126 HB3 LEU 21 HB3 LEU 21 -1.367 -4.585 1.989 127 HG LEU 21 HG LEU 21 -0.078 -4.936 -0.700 128 HD11 LEU 21 HD11 LEU 21 -0.132 -2.822 0.459 129 HD12 LEU 21 HD12 LEU 21 1.542 -3.392 0.272 130 HD13 LEU 21 HD13 LEU 21 0.736 -3.502 1.852 131 HD21 LEU 21 HD21 LEU 21 0.929 -6.207 1.863 132 HD22 LEU 21 HD22 LEU 21 1.976 -5.804 0.471 133 HD23 LEU 21 HD23 LEU 21 0.640 -6.933 0.251 134 H ILE 22 H ILE 22 -3.951 -5.454 0.039 135 HA ILE 22 HA ILE 22 -5.597 -5.163 2.315 136 HB ILE 22 HB ILE 22 -6.487 -5.376 -0.589 137 HG12 ILE 22 HG12 ILE 22 -5.759 -2.802 0.897 138 HG13 ILE 22 HG13 ILE 22 -4.644 -3.611 -0.196 139 HG21 ILE 22 HG21 ILE 22 -8.268 -3.809 0.408 140 HG22 ILE 22 HG22 ILE 22 -8.329 -5.506 0.931 141 HG23 ILE 22 HG23 ILE 22 -7.654 -4.256 1.996 142 HD11 ILE 22 HD11 ILE 22 -7.306 -2.379 -0.963 143 HD12 ILE 22 HD12 ILE 22 -5.672 -1.952 -1.503 144 HD13 ILE 22 HD13 ILE 22 -6.400 -3.478 -2.017 145 H ASP 23 H ASP 23 -5.317 -7.787 -0.049 146 HA ASP 23 HA ASP 23 -7.543 -9.360 0.680 147 HB2 ASP 23 HB2 ASP 23 -4.880 -10.024 -0.580 148 HB3 ASP 23 HB3 ASP 23 -5.975 -11.308 -0.104 149 H LYS 24 H LYS 24 -4.660 -8.717 2.512 150 HA LYS 24 HA LYS 24 -5.367 -10.939 4.410 151 HB2 LYS 24 HB2 LYS 24 -3.167 -11.348 4.703 152 HB3 LYS 24 HB3 LYS 24 -2.927 -10.487 3.210 153 HG2 LYS 24 HG2 LYS 24 -1.386 -9.399 4.437 154 HG3 LYS 24 HG3 LYS 24 -2.711 -8.343 4.760 155 HD2 LYS 24 HD2 LYS 24 -2.759 -10.465 6.758 156 HD3 LYS 24 HD3 LYS 24 -1.114 -9.841 6.622 157 HE2 LYS 24 HE2 LYS 24 -2.396 -7.478 6.888 158 HE3 LYS 24 HE3 LYS 24 -3.643 -8.481 7.585 159 HZ1 LYS 24 HZ1 LYS 24 -0.869 -8.450 8.571 160 HZ2 LYS 24 HZ2 LYS 24 -2.170 -9.201 9.264 161 HZ3 LYS 24 HZ3 LYS 24 -2.120 -7.581 9.184 162 H GLY 25 H GLY 25 -5.378 -7.511 3.940 163 HA2 GLY 25 HA2 GLY 25 -6.553 -6.071 5.411 164 HA3 GLY 25 HA3 GLY 25 -6.116 -7.079 6.782 165 H LYS 26 H LYS 26 -3.620 -6.255 4.459 166 HA LYS 26 HA LYS 26 -2.126 -4.855 6.605 167 HB2 LYS 26 HB2 LYS 26 -1.452 -6.014 3.908 168 HB3 LYS 26 HB3 LYS 26 -0.468 -4.672 4.483 169 HG2 LYS 26 HG2 LYS 26 -0.108 -5.928 6.627 170 HG3 LYS 26 HG3 LYS 26 -0.854 -7.327 5.846 171 HD2 LYS 26 HD2 LYS 26 1.511 -5.954 4.609 172 HD3 LYS 26 HD3 LYS 26 1.695 -7.182 5.871 173 HE2 LYS 26 HE2 LYS 26 0.472 -8.826 4.491 174 HE3 LYS 26 HE3 LYS 26 0.245 -7.609 3.224 175 HZ1 LYS 26 HZ1 LYS 26 2.723 -8.942 4.064 176 HZ2 LYS 26 HZ2 LYS 26 2.795 -7.509 3.290 177 HZ3 LYS 26 HZ3 LYS 26 2.118 -8.769 2.534 178 H LEU 27 H LEU 27 -3.899 -3.171 6.679 179 HA LEU 27 HA LEU 27 -3.901 -1.237 4.427 180 HB2 LEU 27 HB2 LEU 27 -5.404 -1.163 7.080 181 HB3 LEU 27 HB3 LEU 27 -5.524 0.032 5.807 182 HG LEU 27 HG LEU 27 -7.436 -1.253 5.573 183 HD11 LEU 27 HD11 LEU 27 -7.274 -2.294 3.383 184 HD12 LEU 27 HD12 LEU 27 -5.518 -2.449 3.519 185 HD13 LEU 27 HD13 LEU 27 -6.255 -0.828 3.393 186 HD21 LEU 27 HD21 LEU 27 -6.462 -3.251 6.880 187 HD22 LEU 27 HD22 LEU 27 -5.876 -3.808 5.303 188 HD23 LEU 27 HD23 LEU 27 -7.617 -3.604 5.576 189 H ASP 28 H ASP 28 -1.727 -1.804 6.716 190 HA ASP 28 HA ASP 28 -1.162 1.093 7.254 191 HB2 ASP 28 HB2 ASP 28 -0.084 -1.286 8.762 192 HB3 ASP 28 HB3 ASP 28 0.192 0.418 9.120 193 H GLN 29 H GLN 29 -0.453 -0.870 4.828 194 HA GLN 29 HA GLN 29 2.065 0.446 4.276 195 HB2 GLN 29 HB2 GLN 29 3.207 -1.746 3.733 196 HB3 GLN 29 HB3 GLN 29 2.994 -1.325 5.420 197 HG2 GLN 29 HG2 GLN 29 0.775 -2.878 5.017 198 HG3 GLN 29 HG3 GLN 29 1.931 -3.589 3.887 199 HE21 GLN 29 HE21 GLN 29 4.346 -3.474 5.260 200 HE22 GLN 29 HE22 GLN 29 4.211 -4.095 6.894 201 H VAL 30 H VAL 30 2.717 -0.052 2.000 202 HA VAL 30 HA VAL 30 0.519 -0.947 0.193 203 HB VAL 30 HB VAL 30 0.783 1.055 -1.171 204 HG11 VAL 30 HG11 VAL 30 -0.644 2.510 0.077 205 HG12 VAL 30 HG12 VAL 30 -1.076 0.849 0.508 206 HG13 VAL 30 HG13 VAL 30 -0.127 1.830 1.633 207 HG21 VAL 30 HG21 VAL 30 2.057 2.515 1.151 208 HG22 VAL 30 HG22 VAL 30 3.075 1.683 -0.034 209 HG23 VAL 30 HG23 VAL 30 1.970 2.907 -0.602 210 H VAL 31 H VAL 31 1.347 -1.137 -2.214 211 HA VAL 31 HA VAL 31 4.210 -1.611 -2.233 212 HB VAL 31 HB VAL 31 2.430 -2.995 -4.177 213 HG11 VAL 31 HG11 VAL 31 4.981 -3.925 -3.119 214 HG12 VAL 31 HG12 VAL 31 3.971 -4.607 -4.413 215 HG13 VAL 31 HG13 VAL 31 4.706 -3.020 -4.640 216 HG21 VAL 31 HG21 VAL 31 3.159 -4.106 -1.423 217 HG22 VAL 31 HG22 VAL 31 1.503 -3.914 -2.037 218 HG23 VAL 31 HG23 VAL 31 2.599 -5.152 -2.695 219 H TYR 32 H TYR 32 5.259 -0.821 -4.171 220 HA TYR 32 HA TYR 32 3.774 0.334 -6.376 221 HB2 TYR 32 HB2 TYR 32 3.593 2.351 -4.985 222 HB3 TYR 32 HB3 TYR 32 5.232 2.099 -4.410 223 HD1 TYR 32 HD1 TYR 32 3.736 2.388 -7.889 224 HD2 TYR 32 HD2 TYR 32 6.809 3.624 -5.126 225 HE1 TYR 32 HE1 TYR 32 4.905 3.552 -9.704 226 HE2 TYR 32 HE2 TYR 32 7.965 4.836 -6.916 227 HH TYR 32 HH TYR 32 6.885 4.617 -10.330 228 H ASP 33 H ASP 33 5.166 0.317 -8.117 229 HA ASP 33 HA ASP 33 6.885 -0.331 -9.371 230 HB2 ASP 33 HB2 ASP 33 7.562 1.895 -8.324 231 HB3 ASP 33 HB3 ASP 33 8.664 0.999 -7.291 232 H ASP 34 H ASP 34 6.020 -2.331 -7.448 233 HA ASP 34 HA ASP 34 6.535 -4.456 -6.857 234 HB2 ASP 34 HB2 ASP 34 8.112 -4.069 -9.035 235 HB3 ASP 34 HB3 ASP 34 9.375 -4.338 -7.839 236 H GLN 35 H GLN 35 7.099 -2.097 -5.109 237 HA GLN 35 HA GLN 35 9.056 -3.339 -3.247 238 HB2 GLN 35 HB2 GLN 35 8.701 -0.347 -3.655 239 HB3 GLN 35 HB3 GLN 35 9.833 -1.152 -2.598 240 HG2 GLN 35 HG2 GLN 35 9.854 -0.858 -5.599 241 HG3 GLN 35 HG3 GLN 35 11.070 -0.394 -4.419 242 HE21 GLN 35 HE21 GLN 35 11.714 -2.614 -3.029 243 HE22 GLN 35 HE22 GLN 35 12.178 -3.914 -4.146 244 H LEU 36 H LEU 36 8.654 -2.851 -1.100 245 HA LEU 36 HA LEU 36 5.797 -2.255 -0.499 246 HB2 LEU 36 HB2 LEU 36 6.778 -4.539 -0.192 247 HB3 LEU 36 HB3 LEU 36 7.843 -3.892 1.035 248 HG LEU 36 HG LEU 36 5.745 -3.337 2.317 249 HD11 LEU 36 HD11 LEU 36 4.376 -4.981 0.187 250 HD12 LEU 36 HD12 LEU 36 4.125 -3.243 0.482 251 HD13 LEU 36 HD13 LEU 36 3.660 -4.427 1.719 252 HD21 LEU 36 HD21 LEU 36 5.411 -6.227 1.834 253 HD22 LEU 36 HD22 LEU 36 6.238 -5.444 3.216 254 HD23 LEU 36 HD23 LEU 36 7.083 -5.868 1.708 255 H TYR 37 H TYR 37 5.371 -0.574 0.697 256 HA TYR 37 HA TYR 37 7.524 0.509 2.440 257 HB2 TYR 37 HB2 TYR 37 5.309 2.217 1.303 258 HB3 TYR 37 HB3 TYR 37 6.852 2.713 1.992 259 HD1 TYR 37 HD1 TYR 37 8.912 1.311 0.567 260 HD2 TYR 37 HD2 TYR 37 5.195 2.987 -0.856 261 HE1 TYR 37 HE1 TYR 37 9.932 1.676 -1.642 262 HE2 TYR 37 HE2 TYR 37 6.227 3.381 -3.047 263 HH TYR 37 HH TYR 37 9.689 2.998 -3.510 264 H HIS 38 H HIS 38 7.012 0.961 4.509 265 HA HIS 38 HA HIS 38 4.429 0.194 5.632 266 HB2 HIS 38 HB2 HIS 38 7.203 0.158 6.406 267 HB3 HIS 38 HB3 HIS 38 6.431 1.270 7.494 268 HD1 HIS 38 HD1 HIS 38 7.521 -1.267 8.734 269 HD2 HIS 38 HD2 HIS 38 3.540 -0.681 7.405 270 HE1 HIS 38 HE1 HIS 38 6.118 -2.988 9.895 271 H LEU 39 H LEU 39 3.026 1.708 6.367 272 HA LEU 39 HA LEU 39 3.653 4.553 5.889 273 HB2 LEU 39 HB2 LEU 39 1.281 3.378 7.376 274 HB3 LEU 39 HB3 LEU 39 1.433 5.018 6.720 275 HG LEU 39 HG LEU 39 1.309 2.411 5.122 276 HD11 LEU 39 HD11 LEU 39 -0.584 4.756 5.460 277 HD12 LEU 39 HD12 LEU 39 -0.836 3.115 6.084 278 HD13 LEU 39 HD13 LEU 39 -0.857 3.408 4.334 279 HD21 LEU 39 HD21 LEU 39 2.721 3.884 3.856 280 HD22 LEU 39 HD22 LEU 39 1.641 5.276 4.138 281 HD23 LEU 39 HD23 LEU 39 1.121 3.927 3.112 282 H LYS 40 H LYS 40 4.394 6.033 7.380 283 HA LYS 40 HA LYS 40 4.816 5.057 10.188 284 HB2 LYS 40 HB2 LYS 40 6.428 7.187 8.731 285 HB3 LYS 40 HB3 LYS 40 6.742 6.490 10.323 286 HG2 LYS 40 HG2 LYS 40 6.818 5.024 7.668 287 HG3 LYS 40 HG3 LYS 40 8.224 5.609 8.529 288 HD2 LYS 40 HD2 LYS 40 6.347 3.632 9.893 289 HD3 LYS 40 HD3 LYS 40 7.529 3.098 8.741 290 HE2 LYS 40 HE2 LYS 40 9.335 4.227 10.039 291 HE3 LYS 40 HE3 LYS 40 8.136 4.638 11.274 292 HZ1 LYS 40 HZ1 LYS 40 9.412 2.643 11.748 293 HZ2 LYS 40 HZ2 LYS 40 8.816 1.858 10.460 294 HZ3 LYS 40 HZ3 LYS 40 7.802 2.301 11.677 295 H GLU 41 H GLU 41 4.437 8.085 8.359 296 HA GLU 41 HA GLU 41 2.287 8.807 10.257 297 HB2 GLU 41 HB2 GLU 41 3.227 10.776 11.135 298 HB3 GLU 41 HB3 GLU 41 4.447 9.518 11.334 299 HG2 GLU 41 HG2 GLU 41 5.475 10.411 9.153 300 HG3 GLU 41 HG3 GLU 41 4.413 11.792 9.318 301 H LYS 42 H LYS 42 1.336 10.891 9.803 302 HA LYS 42 HA LYS 42 0.810 11.162 6.918 303 HB2 LYS 42 HB2 LYS 42 -0.928 10.987 8.783 304 HB3 LYS 42 HB3 LYS 42 -0.568 12.670 9.180 305 HG2 LYS 42 HG2 LYS 42 -1.330 11.795 6.368 306 HG3 LYS 42 HG3 LYS 42 -2.560 11.967 7.581 307 HD2 LYS 42 HD2 LYS 42 -0.739 14.331 7.245 308 HD3 LYS 42 HD3 LYS 42 -1.857 13.950 5.926 309 HE2 LYS 42 HE2 LYS 42 -3.669 13.774 7.783 310 HE3 LYS 42 HE3 LYS 42 -2.512 14.613 8.824 311 HZ1 LYS 42 HZ1 LYS 42 -4.078 16.071 7.767 312 HZ2 LYS 42 HZ2 LYS 42 -3.584 15.613 6.256 313 HZ3 LYS 42 HZ3 LYS 42 -2.558 16.451 7.240 314 H VAL 43 H VAL 43 1.125 13.121 5.768 315 HA VAL 43 HA VAL 43 2.583 15.279 7.087 316 HB VAL 43 HB VAL 43 4.307 15.304 5.371 317 HG11 VAL 43 HG11 VAL 43 4.253 12.488 6.532 318 HG12 VAL 43 HG12 VAL 43 5.665 13.404 5.972 319 HG13 VAL 43 HG13 VAL 43 4.783 13.945 7.397 320 HG21 VAL 43 HG21 VAL 43 4.611 13.492 3.779 321 HG22 VAL 43 HG22 VAL 43 3.078 12.745 4.282 322 HG23 VAL 43 HG23 VAL 43 3.090 14.336 3.483 323 H ASP 44 H ASP 44 2.849 17.079 5.288 324 HA ASP 44 HA ASP 44 0.160 17.397 4.080 325 HB2 ASP 44 HB2 ASP 44 1.320 19.010 5.855 326 HB3 ASP 44 HB3 ASP 44 2.088 19.677 4.412 327 H GLU 45 H GLU 45 0.150 18.917 2.109 328 HA GLU 45 HA GLU 45 1.702 17.620 0.036 329 HB2 GLU 45 HB2 GLU 45 0.460 18.845 -1.517 330 HB3 GLU 45 HB3 GLU 45 -0.662 18.276 -0.288 331 HG2 GLU 45 HG2 GLU 45 -0.803 20.507 0.687 332 HG3 GLU 45 HG3 GLU 45 0.464 21.107 -0.385 333 H ASP 46 H ASP 46 2.325 20.172 2.111 334 HA ASP 46 HA ASP 46 4.186 21.607 0.309 335 HB2 ASP 46 HB2 ASP 46 3.398 21.806 3.244 336 HB3 ASP 46 HB3 ASP 46 4.802 22.662 2.625 337 H LYS 47 H LYS 47 4.222 18.669 2.171 338 HA LYS 47 HA LYS 47 7.068 18.917 2.941 339 HB2 LYS 47 HB2 LYS 47 5.278 16.540 3.446 340 HB3 LYS 47 HB3 LYS 47 6.726 17.041 4.315 341 HG2 LYS 47 HG2 LYS 47 3.995 18.325 4.331 342 HG3 LYS 47 HG3 LYS 47 4.788 17.487 5.677 343 HD2 LYS 47 HD2 LYS 47 6.579 19.408 5.397 344 HD3 LYS 47 HD3 LYS 47 5.238 20.262 4.589 345 HE2 LYS 47 HE2 LYS 47 3.850 20.146 6.554 346 HE3 LYS 47 HE3 LYS 47 4.939 18.981 7.327 347 HZ1 LYS 47 HZ1 LYS 47 5.582 21.829 6.809 348 HZ2 LYS 47 HZ2 LYS 47 6.632 20.710 7.415 349 HZ3 LYS 47 HZ3 LYS 47 5.286 21.136 8.250 350 H LYS 48 H LYS 48 5.216 17.580 0.391 351 HA LYS 48 HA LYS 48 6.960 15.363 -0.262 352 HB2 LYS 48 HB2 LYS 48 5.947 15.708 -2.612 353 HB3 LYS 48 HB3 LYS 48 4.881 15.251 -1.269 354 HG2 LYS 48 HG2 LYS 48 3.927 17.330 -1.091 355 HG3 LYS 48 HG3 LYS 48 5.171 18.131 -2.094 356 HD2 LYS 48 HD2 LYS 48 4.326 16.868 -4.060 357 HD3 LYS 48 HD3 LYS 48 3.109 16.101 -3.039 358 HE2 LYS 48 HE2 LYS 48 2.165 17.946 -4.379 359 HE3 LYS 48 HE3 LYS 48 1.999 18.228 -2.646 360 HZ1 LYS 48 HZ1 LYS 48 3.649 19.835 -2.686 361 HZ2 LYS 48 HZ2 LYS 48 2.734 20.167 -3.988 362 HZ3 LYS 48 HZ3 LYS 48 4.213 19.437 -4.162 363 H GLY 49 H GLY 49 8.669 15.199 -1.689 364 HA2 GLY 49 HA2 GLY 49 10.179 17.700 -2.145 365 HA3 GLY 49 HA3 GLY 49 10.808 16.055 -2.099 366 H LYS 50 H LYS 50 8.419 15.375 -4.026 367 HA LYS 50 HA LYS 50 8.250 16.576 -6.448 368 HB2 LYS 50 HB2 LYS 50 9.914 15.367 -7.874 369 HB3 LYS 50 HB3 LYS 50 10.642 16.573 -6.834 370 HG2 LYS 50 HG2 LYS 50 11.405 14.804 -5.264 371 HG3 LYS 50 HG3 LYS 50 10.580 13.576 -6.238 372 HD2 LYS 50 HD2 LYS 50 12.037 14.033 -8.113 373 HD3 LYS 50 HD3 LYS 50 12.888 15.302 -7.216 374 HE2 LYS 50 HE2 LYS 50 12.665 12.422 -6.229 375 HE3 LYS 50 HE3 LYS 50 13.965 12.942 -7.310 376 HZ1 LYS 50 HZ1 LYS 50 13.506 14.228 -4.670 377 HZ2 LYS 50 HZ2 LYS 50 14.813 14.380 -5.650 378 HZ3 LYS 50 HZ3 LYS 50 14.508 12.979 -4.889 379 H VAL 51 H VAL 51 7.299 15.062 -8.087 380 HA VAL 51 HA VAL 51 6.052 12.704 -6.807 381 HB VAL 51 HB VAL 51 5.765 14.172 -9.440 382 HG11 VAL 51 HG11 VAL 51 4.099 12.507 -10.169 383 HG12 VAL 51 HG12 VAL 51 5.718 11.824 -10.144 384 HG13 VAL 51 HG13 VAL 51 4.563 11.436 -8.831 385 HG21 VAL 51 HG21 VAL 51 3.776 13.237 -7.326 386 HG22 VAL 51 HG22 VAL 51 4.429 14.898 -7.484 387 HG23 VAL 51 HG23 VAL 51 3.391 14.227 -8.739 388 H ILE 52 H ILE 52 6.356 10.574 -7.604 389 HA ILE 52 HA ILE 52 8.777 10.087 -9.263 390 HB ILE 52 HB ILE 52 9.508 8.305 -7.710 391 HG12 ILE 52 HG12 ILE 52 7.481 9.535 -5.770 392 HG13 ILE 52 HG13 ILE 52 7.411 7.918 -6.480 393 HG21 ILE 52 HG21 ILE 52 10.523 10.592 -7.794 394 HG22 ILE 52 HG22 ILE 52 9.485 11.071 -6.437 395 HG23 ILE 52 HG23 ILE 52 10.716 9.796 -6.235 396 HD11 ILE 52 HD11 ILE 52 9.623 7.428 -5.349 397 HD12 ILE 52 HD12 ILE 52 9.427 8.963 -4.470 398 HD13 ILE 52 HD13 ILE 52 8.231 7.672 -4.276 399 H GLY 53 H GLY 53 5.583 9.055 -8.086 400 HA2 GLY 53 HA2 GLY 53 5.064 7.618 -10.472 401 HA3 GLY 53 HA3 GLY 53 5.459 6.497 -9.153 402 H ALA 54 H ALA 54 2.984 5.941 -9.624 403 HA ALA 54 HA ALA 54 1.422 7.360 -7.630 404 HB1 ALA 54 HB1 ALA 54 -0.463 7.695 -9.202 405 HB2 ALA 54 HB2 ALA 54 0.969 8.529 -9.852 406 HB3 ALA 54 HB3 ALA 54 0.481 6.971 -10.512 407 H ILE 55 H ILE 55 -0.076 5.993 -6.612 408 HA ILE 55 HA ILE 55 0.073 3.141 -7.344 409 HB ILE 55 HB ILE 55 -1.161 4.691 -5.044 410 HG12 ILE 55 HG12 ILE 55 1.063 2.590 -5.157 411 HG13 ILE 55 HG13 ILE 55 1.303 4.330 -5.040 412 HG21 ILE 55 HG21 ILE 55 -2.668 2.854 -5.574 413 HG22 ILE 55 HG22 ILE 55 -1.315 1.689 -5.490 414 HG23 ILE 55 HG23 ILE 55 -1.852 2.594 -4.052 415 HD11 ILE 55 HD11 ILE 55 1.489 3.691 -2.823 416 HD12 ILE 55 HD12 ILE 55 -0.219 4.169 -2.914 417 HD13 ILE 55 HD13 ILE 55 0.223 2.452 -2.955 418 H GLY 56 H GLY 56 -2.391 5.679 -6.860 419 HA2 GLY 56 HA2 GLY 56 -4.385 6.174 -7.812 420 HA3 GLY 56 HA3 GLY 56 -3.754 5.419 -9.267 421 H GLN 57 H GLN 57 -3.896 2.895 -7.044 422 HA GLN 57 HA GLN 57 -6.156 1.749 -8.332 423 HB2 GLN 57 HB2 GLN 57 -4.774 0.753 -5.804 424 HB3 GLN 57 HB3 GLN 57 -5.686 -0.174 -7.007 425 HG2 GLN 57 HG2 GLN 57 -3.893 0.658 -8.704 426 HG3 GLN 57 HG3 GLN 57 -2.946 1.118 -7.292 427 HE21 GLN 57 HE21 GLN 57 -1.206 -0.401 -7.449 428 HE22 GLN 57 HE22 GLN 57 -1.506 -2.111 -7.484 429 H THR 58 H THR 58 -7.998 0.761 -7.141 430 HA THR 58 HA THR 58 -8.907 2.163 -4.728 431 HB THR 58 HB THR 58 -10.702 1.999 -7.182 432 HG1 THR 58 HG1 THR 58 -9.313 3.657 -7.644 433 HG21 THR 58 HG21 THR 58 -11.027 3.230 -4.419 434 HG22 THR 58 HG22 THR 58 -12.019 1.988 -5.189 435 HG23 THR 58 HG23 THR 58 -12.077 3.647 -5.788 436 H PHE 59 H PHE 59 -9.896 0.676 -3.380 437 HA PHE 59 HA PHE 59 -11.144 -1.715 -4.544 438 HB2 PHE 59 HB2 PHE 59 -8.962 -1.926 -2.442 439 HB3 PHE 59 HB3 PHE 59 -9.925 -3.226 -3.117 440 HD1 PHE 59 HD1 PHE 59 -9.725 -3.872 -5.550 441 HD2 PHE 59 HD2 PHE 59 -6.887 -1.337 -3.516 442 HE1 PHE 59 HE1 PHE 59 -7.986 -4.472 -7.206 443 HE2 PHE 59 HE2 PHE 59 -5.118 -2.026 -5.116 444 HZ PHE 59 HZ PHE 59 -5.694 -3.582 -6.985 445 H PHE 60 H PHE 60 -12.151 -3.024 -2.510 446 HA PHE 60 HA PHE 60 -13.068 -1.178 -0.358 447 HB2 PHE 60 HB2 PHE 60 -14.836 -3.019 -2.017 448 HB3 PHE 60 HB3 PHE 60 -15.376 -2.023 -0.658 449 HD1 PHE 60 HD1 PHE 60 -14.317 -1.985 -4.230 450 HD2 PHE 60 HD2 PHE 60 -15.723 0.340 -0.883 451 HE1 PHE 60 HE1 PHE 60 -14.890 -0.133 -5.757 452 HE2 PHE 60 HE2 PHE 60 -16.402 2.106 -2.362 453 HZ PHE 60 HZ PHE 60 -15.994 1.930 -4.871 454 H VAL 61 H VAL 61 -13.583 -2.327 1.705 455 HA VAL 61 HA VAL 61 -13.436 -5.240 1.513 456 HB VAL 61 HB VAL 61 -12.133 -5.408 3.570 457 HG11 VAL 61 HG11 VAL 61 -11.024 -5.476 1.323 458 HG12 VAL 61 HG12 VAL 61 -10.555 -3.772 1.611 459 HG13 VAL 61 HG13 VAL 61 -9.988 -5.065 2.696 460 HG21 VAL 61 HG21 VAL 61 -12.607 -3.302 4.568 461 HG22 VAL 61 HG22 VAL 61 -10.855 -3.508 4.396 462 HG23 VAL 61 HG23 VAL 61 -11.720 -2.432 3.266 463 H ASP 62 H ASP 62 -14.223 -6.276 3.500 464 HA ASP 62 HA ASP 62 -16.633 -4.884 4.507 465 HB2 ASP 62 HB2 ASP 62 -17.545 -7.076 4.905 466 HB3 ASP 62 HB3 ASP 62 -17.054 -6.920 3.225 467 H GLY 63 H GLY 63 -17.232 -6.231 6.710 468 HA2 GLY 63 HA2 GLY 63 -15.558 -4.955 8.606 469 HA3 GLY 63 HA3 GLY 63 -16.887 -6.078 8.962 470 H ASP 64 H ASP 64 -15.345 -8.102 7.139 471 HA ASP 64 HA ASP 64 -13.722 -9.144 9.401 472 HB2 ASP 64 HB2 ASP 64 -15.299 -10.612 8.061 473 HB3 ASP 64 HB3 ASP 64 -14.168 -10.468 6.707 474 H GLY 65 H GLY 65 -13.494 -7.471 6.420 475 HA2 GLY 65 HA2 GLY 65 -11.743 -6.085 5.751 476 HA3 GLY 65 HA3 GLY 65 -10.607 -7.021 6.710 477 H LYS 66 H LYS 66 -13.059 -8.425 4.477 478 HA LYS 66 HA LYS 66 -10.916 -9.745 2.935 479 HB2 LYS 66 HB2 LYS 66 -13.961 -9.960 3.035 480 HB3 LYS 66 HB3 LYS 66 -12.981 -10.856 1.881 481 HG2 LYS 66 HG2 LYS 66 -12.741 -11.092 4.917 482 HG3 LYS 66 HG3 LYS 66 -13.625 -12.198 3.857 483 HD2 LYS 66 HD2 LYS 66 -11.498 -12.706 2.634 484 HD3 LYS 66 HD3 LYS 66 -10.621 -11.645 3.748 485 HE2 LYS 66 HE2 LYS 66 -10.268 -13.792 4.559 486 HE3 LYS 66 HE3 LYS 66 -11.431 -13.025 5.661 487 HZ1 LYS 66 HZ1 LYS 66 -12.042 -15.313 5.070 488 HZ2 LYS 66 HZ2 LYS 66 -12.082 -14.942 3.483 489 HZ3 LYS 66 HZ3 LYS 66 -13.176 -14.277 4.518 490 H ARG 67 H ARG 67 -10.995 -9.550 0.554 491 HA ARG 67 HA ARG 67 -11.479 -6.847 -0.343 492 HB2 ARG 67 HB2 ARG 67 -10.046 -9.363 -1.135 493 HB3 ARG 67 HB3 ARG 67 -10.804 -8.611 -2.506 494 HG2 ARG 67 HG2 ARG 67 -9.133 -6.960 -0.593 495 HG3 ARG 67 HG3 ARG 67 -8.350 -7.962 -1.805 496 HD2 ARG 67 HD2 ARG 67 -10.393 -5.792 -2.374 497 HD3 ARG 67 HD3 ARG 67 -8.642 -5.650 -2.626 498 HE ARG 67 HE ARG 67 -10.645 -6.811 -4.300 499 HH11 ARG 67 HH11 ARG 67 -7.359 -8.140 -3.491 500 HH12 ARG 67 HH12 ARG 67 -6.993 -8.230 -5.150 501 HH21 ARG 67 HH21 ARG 67 -10.003 -7.064 -6.425 502 HH22 ARG 67 HH22 ARG 67 -8.447 -7.753 -6.819 503 H TRP 68 H TRP 68 -13.521 -6.245 -1.032 504 HA TRP 68 HA TRP 68 -15.640 -8.120 -1.526 505 HB2 TRP 68 HB2 TRP 68 -15.204 -5.229 -2.311 506 HB3 TRP 68 HB3 TRP 68 -16.573 -6.122 -2.904 507 HD1 TRP 68 HD1 TRP 68 -15.253 -5.542 0.724 508 HE1 TRP 68 HE1 TRP 68 -17.247 -4.911 2.181 509 HE3 TRP 68 HE3 TRP 68 -18.953 -6.192 -2.718 510 HZ2 TRP 68 HZ2 TRP 68 -20.149 -4.891 1.926 511 HZ3 TRP 68 HZ3 TRP 68 -21.330 -6.113 -2.022 512 HH2 TRP 68 HH2 TRP 68 -21.934 -5.456 0.303 513 H SER 69 H SER 69 -16.058 -9.344 -3.323 514 HA SER 69 HA SER 69 -14.201 -9.266 -5.590 515 HB2 SER 69 HB2 SER 69 -16.848 -10.753 -5.314 516 HB3 SER 69 HB3 SER 69 -15.549 -11.096 -6.460 517 HG SER 69 HG SER 69 -14.275 -11.402 -4.319 518 H GLU 70 H GLU 70 -14.794 -8.617 -7.816 519 HA GLU 70 HA GLU 70 -16.489 -6.373 -8.012 520 HB2 GLU 70 HB2 GLU 70 -15.313 -8.228 -10.101 521 HB3 GLU 70 HB3 GLU 70 -16.341 -6.855 -10.523 522 HG2 GLU 70 HG2 GLU 70 -14.032 -6.158 -10.645 523 HG3 GLU 70 HG3 GLU 70 -14.864 -5.294 -9.350 524 H GLU 71 H GLU 71 -17.222 -9.729 -8.159 525 HA GLU 71 HA GLU 71 -19.710 -9.815 -9.487 526 HB2 GLU 71 HB2 GLU 71 -18.436 -11.537 -7.312 527 HB3 GLU 71 HB3 GLU 71 -19.820 -12.032 -8.319 528 HG2 GLU 71 HG2 GLU 71 -18.513 -11.891 -10.339 529 HG3 GLU 71 HG3 GLU 71 -17.169 -11.112 -9.529 530 H GLU 72 H GLU 72 -18.757 -9.164 -6.129 531 HA GLU 72 HA GLU 72 -21.503 -9.043 -5.115 532 HB2 GLU 72 HB2 GLU 72 -18.837 -8.230 -3.886 533 HB3 GLU 72 HB3 GLU 72 -20.386 -8.319 -3.035 534 HG2 GLU 72 HG2 GLU 72 -20.529 -10.728 -3.443 535 HG3 GLU 72 HG3 GLU 72 -19.029 -10.707 -4.376 536 H LEU 73 H LEU 73 -19.019 -6.915 -6.364 537 HA LEU 73 HA LEU 73 -20.319 -4.427 -5.574 538 HB2 LEU 73 HB2 LEU 73 -18.013 -4.941 -7.485 539 HB3 LEU 73 HB3 LEU 73 -18.506 -3.361 -6.902 540 HG LEU 73 HG LEU 73 -17.582 -5.589 -5.033 541 HD11 LEU 73 HD11 LEU 73 -15.960 -3.200 -5.943 542 HD12 LEU 73 HD12 LEU 73 -15.745 -4.851 -6.572 543 HD13 LEU 73 HD13 LEU 73 -15.453 -4.514 -4.865 544 HD21 LEU 73 HD21 LEU 73 -17.286 -3.742 -3.434 545 HD22 LEU 73 HD22 LEU 73 -18.972 -3.936 -3.940 546 HD23 LEU 73 HD23 LEU 73 -17.986 -2.609 -4.619 547 H LYS 74 H LYS 74 -20.746 -6.549 -8.254 548 HA LYS 74 HA LYS 74 -21.964 -4.399 -9.921 549 HB2 LYS 74 HB2 LYS 74 -21.872 -5.867 -11.747 550 HB3 LYS 74 HB3 LYS 74 -20.353 -6.136 -10.887 551 HG2 LYS 74 HG2 LYS 74 -21.683 -8.080 -9.736 552 HG3 LYS 74 HG3 LYS 74 -22.836 -7.898 -11.056 553 HD2 LYS 74 HD2 LYS 74 -19.864 -8.464 -11.329 554 HD3 LYS 74 HD3 LYS 74 -21.155 -9.665 -11.396 555 HE2 LYS 74 HE2 LYS 74 -21.384 -9.374 -13.575 556 HE3 LYS 74 HE3 LYS 74 -21.907 -7.712 -13.316 557 HZ1 LYS 74 HZ1 LYS 74 -19.933 -8.103 -14.815 558 HZ2 LYS 74 HZ2 LYS 74 -19.052 -8.486 -13.503 559 HZ3 LYS 74 HZ3 LYS 74 -19.691 -6.965 -13.671 560 H GLU 75 H GLU 75 -22.934 -6.459 -7.533 561 HA GLU 75 HA GLU 75 -25.264 -7.695 -8.159 562 HB2 GLU 75 HB2 GLU 75 -24.234 -6.270 -5.747 563 HB3 GLU 75 HB3 GLU 75 -25.890 -6.644 -5.694 564 HG2 GLU 75 HG2 GLU 75 -24.902 -9.089 -6.468 565 HG3 GLU 75 HG3 GLU 75 -23.575 -8.483 -5.488 566 HA PRO 76 HA PRO 76 -28.502 -4.801 -8.894 567 HB2 PRO 76 HB2 PRO 76 -30.723 -6.059 -7.919 568 HB3 PRO 76 HB3 PRO 76 -29.774 -6.697 -9.291 569 HG2 PRO 76 HG2 PRO 76 -29.701 -7.560 -6.404 570 HG3 PRO 76 HG3 PRO 76 -29.680 -8.581 -7.870 571 HD2 PRO 76 HD2 PRO 76 -27.473 -7.809 -6.395 572 HD3 PRO 76 HD3 PRO 76 -27.318 -8.284 -8.082 573 H TYR 77 H TYR 77 -30.566 -3.826 -7.554 574 HA TYR 77 HA TYR 77 -29.375 -2.226 -5.501 575 HB2 TYR 77 HB2 TYR 77 -32.256 -2.509 -6.458 576 HB3 TYR 77 HB3 TYR 77 -31.712 -1.306 -5.289 577 HD1 TYR 77 HD2 TYR 77 -29.807 0.285 -5.938 578 HD2 TYR 77 HD1 TYR 77 -31.979 -2.073 -8.830 579 HE1 TYR 77 HE2 TYR 77 -28.908 1.681 -7.716 580 HE2 TYR 77 HE1 TYR 77 -31.062 -0.670 -10.651 581 HH TYR 77 HH TYR 77 -29.129 2.238 -10.175 582 H ILE 78 H ILE 78 -30.213 -1.956 -3.407 583 HA ILE 78 HA ILE 78 -30.966 -4.527 -2.068 584 HB ILE 78 HB ILE 78 -29.763 -3.603 -0.106 585 HG12 ILE 78 HG12 ILE 78 -28.701 -1.399 -1.919 586 HG13 ILE 78 HG13 ILE 78 -30.074 -1.133 -0.864 587 HG21 ILE 78 HG21 ILE 78 -28.694 -5.122 -1.690 588 HG22 ILE 78 HG22 ILE 78 -28.111 -3.766 -2.666 589 HG23 ILE 78 HG23 ILE 78 -27.513 -4.000 -1.009 590 HD11 ILE 78 HD11 ILE 78 -28.706 -1.722 1.110 591 HD12 ILE 78 HD12 ILE 78 -27.290 -1.909 0.044 592 HD13 ILE 78 HD13 ILE 78 -28.070 -0.329 0.211 593 H SER 79 H SER 79 -31.942 -4.178 0.147 594 HA SER 79 HA SER 79 -34.427 -2.971 -0.019 595 HB2 SER 79 HB2 SER 79 -32.925 -3.630 2.530 596 HB3 SER 79 HB3 SER 79 -34.645 -3.850 2.202 597 HG SER 79 HG SER 79 -33.143 -5.749 2.198 598 H ASN 80 H ASN 80 -31.529 -1.360 0.384 599 HA ASN 80 HA ASN 80 -30.807 0.661 1.168 600 HB2 ASN 80 HB2 ASN 80 -33.749 1.412 1.011 601 HB3 ASN 80 HB3 ASN 80 -32.446 2.525 1.403 602 HD21 ASN 80 HD21 ASN 80 -33.741 0.481 -1.217 603 HD22 ASN 80 HD22 ASN 80 -32.816 1.262 -2.470 604 H ASN 81 H ASN 81 -31.055 -1.444 2.838 605 HA ASN 81 HA ASN 81 -31.685 -0.412 5.516 606 HB2 ASN 81 HB2 ASN 81 -33.154 -2.260 4.927 607 HB3 ASN 81 HB3 ASN 81 -31.747 -3.211 4.387 608 HD21 ASN 81 HD21 ASN 81 -32.694 -4.769 5.918 609 HD22 ASN 81 HD22 ASN 81 -32.250 -4.640 7.629 610 HA PRO 82 HA PRO 82 -27.140 -0.896 4.988 611 HB2 PRO 82 HB2 PRO 82 -26.373 0.762 6.990 612 HB3 PRO 82 HB3 PRO 82 -27.022 1.359 5.429 613 HG2 PRO 82 HG2 PRO 82 -28.510 0.960 8.043 614 HG3 PRO 82 HG3 PRO 82 -28.489 2.428 6.998 615 HD2 PRO 82 HD2 PRO 82 -30.450 0.536 6.870 616 HD3 PRO 82 HD3 PRO 82 -29.893 1.375 5.385 617 H ASP 83 H ASP 83 -29.256 -2.102 7.381 618 HA ASP 83 HA ASP 83 -27.076 -3.018 9.179 619 HB2 ASP 83 HB2 ASP 83 -29.052 -2.056 10.129 620 HB3 ASP 83 HB3 ASP 83 -30.079 -3.288 9.363 621 H GLU 84 H GLU 84 -29.493 -4.368 6.908 622 HA GLU 84 HA GLU 84 -28.767 -7.088 7.476 623 HB2 GLU 84 HB2 GLU 84 -30.170 -7.771 5.799 624 HB3 GLU 84 HB3 GLU 84 -30.897 -6.340 6.558 625 HG2 GLU 84 HG2 GLU 84 -30.063 -4.987 4.666 626 HG3 GLU 84 HG3 GLU 84 -29.458 -6.471 3.911 627 H ILE 85 H ILE 85 -27.816 -4.912 4.990 628 HA ILE 85 HA ILE 85 -26.123 -6.677 3.483 629 HB ILE 85 HB ILE 85 -25.245 -4.677 2.418 630 HG12 ILE 85 HG12 ILE 85 -26.706 -3.040 4.520 631 HG13 ILE 85 HG13 ILE 85 -24.963 -3.272 4.458 632 HG21 ILE 85 HG21 ILE 85 -27.535 -5.553 1.846 633 HG22 ILE 85 HG22 ILE 85 -28.235 -4.291 2.889 634 HG23 ILE 85 HG23 ILE 85 -27.285 -3.856 1.453 635 HD11 ILE 85 HD11 ILE 85 -24.941 -2.234 2.167 636 HD12 ILE 85 HD12 ILE 85 -26.642 -1.772 2.445 637 HD13 ILE 85 HD13 ILE 85 -25.364 -1.162 3.510 638 H ARG 86 H ARG 86 -23.729 -6.302 3.122 639 HA ARG 86 HA ARG 86 -22.403 -6.373 5.760 640 HB2 ARG 86 HB2 ARG 86 -22.058 -7.993 3.621 641 HB3 ARG 86 HB3 ARG 86 -20.862 -6.750 3.188 642 HG2 ARG 86 HG2 ARG 86 -19.772 -7.019 5.358 643 HG3 ARG 86 HG3 ARG 86 -21.049 -8.134 5.894 644 HD2 ARG 86 HD2 ARG 86 -20.376 -9.715 4.095 645 HD3 ARG 86 HD3 ARG 86 -19.006 -8.649 3.712 646 HE ARG 86 HE ARG 86 -18.931 -9.066 6.489 647 HH11 ARG 86 HH11 ARG 86 -18.515 -11.097 3.640 648 HH12 ARG 86 HH12 ARG 86 -17.875 -12.442 4.495 649 HH21 ARG 86 HH21 ARG 86 -17.945 -10.633 7.599 650 HH22 ARG 86 HH22 ARG 86 -17.561 -12.199 6.883 651 H GLU 87 H GLU 87 -20.529 -4.987 6.190 652 HA GLU 87 HA GLU 87 -20.964 -2.300 5.264 653 HB2 GLU 87 HB2 GLU 87 -19.167 -1.650 6.740 654 HB3 GLU 87 HB3 GLU 87 -20.277 -2.764 7.523 655 HG2 GLU 87 HG2 GLU 87 -18.468 -4.563 6.683 656 HG3 GLU 87 HG3 GLU 87 -17.410 -3.156 6.726 657 H LYS 88 H LYS 88 -19.395 -0.948 4.170 658 HA LYS 88 HA LYS 88 -17.430 -2.398 2.458 659 HB2 LYS 88 HB2 LYS 88 -19.503 -2.262 1.190 660 HB3 LYS 88 HB3 LYS 88 -19.576 -0.508 1.470 661 HG2 LYS 88 HG2 LYS 88 -17.473 -0.205 0.271 662 HG3 LYS 88 HG3 LYS 88 -17.449 -1.938 -0.110 663 HD2 LYS 88 HD2 LYS 88 -19.890 -0.279 -0.851 664 HD3 LYS 88 HD3 LYS 88 -18.404 -0.091 -1.777 665 HE2 LYS 88 HE2 LYS 88 -19.370 -1.730 -2.999 666 HE3 LYS 88 HE3 LYS 88 -18.342 -2.660 -1.913 667 HZ1 LYS 88 HZ1 LYS 88 -21.250 -2.523 -2.025 668 HZ2 LYS 88 HZ2 LYS 88 -20.613 -2.700 -0.524 669 HZ3 LYS 88 HZ3 LYS 88 -20.292 -3.803 -1.675 670 H LYS 89 H LYS 89 -15.629 -1.542 3.257 671 HA LYS 89 HA LYS 89 -15.369 1.307 3.894 672 HB2 LYS 89 HB2 LYS 89 -13.316 -0.931 4.160 673 HB3 LYS 89 HB3 LYS 89 -13.292 0.650 4.942 674 HG2 LYS 89 HG2 LYS 89 -15.293 0.005 6.255 675 HG3 LYS 89 HG3 LYS 89 -15.343 -1.564 5.441 676 HD2 LYS 89 HD2 LYS 89 -13.022 -2.020 6.307 677 HD3 LYS 89 HD3 LYS 89 -13.182 -0.583 7.340 678 HE2 LYS 89 HE2 LYS 89 -15.149 -2.909 7.205 679 HE3 LYS 89 HE3 LYS 89 -13.826 -2.840 8.374 680 HZ1 LYS 89 HZ1 LYS 89 -15.846 -0.671 8.241 681 HZ2 LYS 89 HZ2 LYS 89 -14.829 -1.018 9.474 682 HZ3 LYS 89 HZ3 LYS 89 -16.075 -2.015 9.133 683 HA PRO 90 HA PRO 90 -13.635 1.411 -0.356 684 HB2 PRO 90 HB2 PRO 90 -13.665 4.137 -0.689 685 HB3 PRO 90 HB3 PRO 90 -15.082 3.108 -0.939 686 HG2 PRO 90 HG2 PRO 90 -14.342 4.798 1.439 687 HG3 PRO 90 HG3 PRO 90 -15.970 4.549 0.742 688 HD2 PRO 90 HD2 PRO 90 -15.088 3.215 2.989 689 HD3 PRO 90 HD3 PRO 90 -16.267 2.563 1.827 690 H LEU 91 H LEU 91 -11.554 1.582 -0.943 691 HA LEU 91 HA LEU 91 -9.565 2.991 0.772 692 HB2 LEU 91 HB2 LEU 91 -9.243 0.406 -0.813 693 HB3 LEU 91 HB3 LEU 91 -8.050 1.131 0.244 694 HG LEU 91 HG LEU 91 -10.723 -0.078 1.111 695 HD11 LEU 91 HD11 LEU 91 -9.239 -1.742 0.236 696 HD12 LEU 91 HD12 LEU 91 -9.299 -1.896 2.002 697 HD13 LEU 91 HD13 LEU 91 -7.884 -1.147 1.228 698 HD21 LEU 91 HD21 LEU 91 -8.400 0.693 2.927 699 HD22 LEU 91 HD22 LEU 91 -9.976 0.046 3.391 700 HD23 LEU 91 HD23 LEU 91 -9.876 1.676 2.729 701 H ARG 92 H ARG 92 -9.104 4.811 -0.499 702 HA ARG 92 HA ARG 92 -8.853 4.416 -3.464 703 HB2 ARG 92 HB2 ARG 92 -9.411 7.036 -2.006 704 HB3 ARG 92 HB3 ARG 92 -9.241 6.779 -3.729 705 HG2 ARG 92 HG2 ARG 92 -11.471 6.726 -3.710 706 HG3 ARG 92 HG3 ARG 92 -11.246 5.025 -3.299 707 HD2 ARG 92 HD2 ARG 92 -11.896 5.306 -1.105 708 HD3 ARG 92 HD3 ARG 92 -11.324 6.962 -1.020 709 HE ARG 92 HE ARG 92 -13.960 6.080 -1.894 710 HH11 ARG 92 HH11 ARG 92 -11.627 8.663 -2.566 711 HH12 ARG 92 HH12 ARG 92 -12.808 9.927 -2.537 712 HH21 ARG 92 HH21 ARG 92 -15.537 7.824 -1.763 713 HH22 ARG 92 HH22 ARG 92 -15.061 9.410 -2.213 714 H TYR 93 H TYR 93 -6.770 4.399 -4.122 715 HA TYR 93 HA TYR 93 -4.756 5.604 -2.339 716 HB2 TYR 93 HB2 TYR 93 -4.510 3.694 -4.658 717 HB3 TYR 93 HB3 TYR 93 -3.180 4.386 -3.721 718 HD1 TYR 93 HD1 TYR 93 -2.742 3.736 -1.397 719 HD2 TYR 93 HD2 TYR 93 -5.987 1.954 -3.620 720 HE1 TYR 93 HE1 TYR 93 -3.056 2.076 0.389 721 HE2 TYR 93 HE2 TYR 93 -6.279 0.256 -1.858 722 HH TYR 93 HH TYR 93 -5.207 -0.719 0.098 723 H GLY 94 H GLY 94 -3.225 7.057 -2.966 724 HA2 GLY 94 HA2 GLY 94 -3.827 8.962 -4.938 725 HA3 GLY 94 HA3 GLY 94 -3.030 8.933 -3.377 726 H LYS 95 H LYS 95 -1.875 10.213 -5.514 727 HA LYS 95 HA LYS 95 -0.026 8.509 -6.954 728 HB2 LYS 95 HB2 LYS 95 -0.934 10.560 -7.842 729 HB3 LYS 95 HB3 LYS 95 -0.303 11.497 -6.485 730 HG2 LYS 95 HG2 LYS 95 1.910 11.388 -7.306 731 HG3 LYS 95 HG3 LYS 95 1.530 10.006 -8.352 732 HD2 LYS 95 HD2 LYS 95 1.764 12.194 -9.592 733 HD3 LYS 95 HD3 LYS 95 0.325 11.224 -9.882 734 HE2 LYS 95 HE2 LYS 95 -0.244 13.564 -9.860 735 HE3 LYS 95 HE3 LYS 95 -1.072 12.687 -8.579 736 HZ1 LYS 95 HZ1 LYS 95 -0.295 14.786 -7.846 737 HZ2 LYS 95 HZ2 LYS 95 1.268 14.441 -8.222 738 HZ3 LYS 95 HZ3 LYS 95 0.468 13.640 -6.992 739 H VAL 96 H VAL 96 2.503 9.000 -6.609 740 HA VAL 96 HA VAL 96 3.056 9.119 -3.703 741 HB VAL 96 HB VAL 96 4.352 7.373 -5.824 742 HG11 VAL 96 HG11 VAL 96 5.514 6.258 -3.991 743 HG12 VAL 96 HG12 VAL 96 5.947 7.964 -3.991 744 HG13 VAL 96 HG13 VAL 96 4.777 7.352 -2.804 745 HG21 VAL 96 HG21 VAL 96 2.087 6.565 -5.244 746 HG22 VAL 96 HG22 VAL 96 3.319 5.494 -4.567 747 HG23 VAL 96 HG23 VAL 96 2.481 6.647 -3.512 748 H TYR 97 H TYR 97 4.895 10.111 -3.025 749 HA TYR 97 HA TYR 97 6.386 11.784 -4.955 750 HB2 TYR 97 HB2 TYR 97 5.528 12.663 -2.175 751 HB3 TYR 97 HB3 TYR 97 6.144 13.664 -3.461 752 HD1 TYR 97 HD2 TYR 97 3.228 11.833 -2.180 753 HD2 TYR 97 HD1 TYR 97 4.637 14.492 -5.219 754 HE1 TYR 97 HE2 TYR 97 0.878 12.323 -2.732 755 HE2 TYR 97 HE1 TYR 97 2.294 14.886 -5.951 756 HH TYR 97 HH TYR 97 -0.500 13.848 -4.284 757 H SER 98 H SER 98 8.356 12.663 -3.897 758 HA SER 98 HA SER 98 9.857 10.573 -2.454 759 HB2 SER 98 HB2 SER 98 10.597 11.547 -4.655 760 HB3 SER 98 HB3 SER 98 10.689 13.135 -3.893 761 HG SER 98 HG SER 98 12.151 10.966 -2.836 762 H THR 99 H THR 99 11.348 11.396 -0.768 763 HA THR 99 HA THR 99 10.117 13.322 1.070 764 HB THR 99 HB THR 99 11.972 12.109 2.517 765 HG1 THR 99 HG1 THR 99 12.782 10.292 1.665 766 HG21 THR 99 HG21 THR 99 9.607 10.508 1.450 767 HG22 THR 99 HG22 THR 99 9.534 11.681 2.783 768 HG23 THR 99 HG23 THR 99 10.489 10.201 2.958 769 H ASN 100 H ASN 100 11.969 14.409 2.468 770 HA ASN 100 HA ASN 100 13.288 16.308 0.785 771 HB2 ASN 100 HB2 ASN 100 13.471 15.746 3.769 772 HB3 ASN 100 HB3 ASN 100 14.220 17.133 2.988 773 HD21 ASN 100 HD21 ASN 100 11.956 16.929 5.029 774 HD22 ASN 100 HD22 ASN 100 10.760 17.999 4.311 775 H GLU 101 H GLU 101 14.343 13.240 1.168 776 HA GLU 101 HA GLU 101 17.014 13.447 2.067 777 HB2 GLU 101 HB2 GLU 101 15.631 11.639 0.093 778 HB3 GLU 101 HB3 GLU 101 17.344 11.419 0.426 779 HG2 GLU 101 HG2 GLU 101 16.978 10.335 2.334 780 HG3 GLU 101 HG3 GLU 101 15.841 11.567 2.931 781 H ASP 102 H ASP 102 15.737 14.115 -1.043 782 HA ASP 102 HA ASP 102 16.642 14.911 -3.045 783 HB2 ASP 102 HB2 ASP 102 16.941 16.847 -1.485 784 HB3 ASP 102 HB3 ASP 102 18.610 16.343 -1.234 785 H SER 103 H SER 103 17.772 12.377 -1.864 786 HA SER 103 HA SER 103 20.247 12.084 -3.475 787 HB2 SER 103 HB2 SER 103 19.670 11.455 -0.597 788 HB3 SER 103 HB3 SER 103 20.510 10.201 -1.511 789 HG SER 103 HG SER 103 21.335 12.925 -1.438 790 H ASP 104 H ASP 104 20.627 9.734 -3.954 791 HA ASP 104 HA ASP 104 18.387 8.669 -5.344 792 HB2 ASP 104 HB2 ASP 104 20.799 8.523 -6.040 793 HB3 ASP 104 HB3 ASP 104 21.093 7.381 -4.722 794 H ALA 105 H ALA 105 19.432 8.168 -2.148 795 HA ALA 105 HA ALA 105 19.014 5.647 -1.376 796 HB1 ALA 105 HB1 ALA 105 19.549 7.453 0.144 797 HB2 ALA 105 HB2 ALA 105 17.906 8.122 0.012 798 HB3 ALA 105 HB3 ALA 105 18.175 6.533 0.765 799 H LYS 106 H LYS 106 16.168 7.863 -1.465 800 HA LYS 106 HA LYS 106 13.915 7.446 -1.588 801 HB2 LYS 106 HB2 LYS 106 14.852 5.489 -3.692 802 HB3 LYS 106 HB3 LYS 106 13.179 5.967 -3.414 803 HG2 LYS 106 HG2 LYS 106 13.814 8.367 -3.863 804 HG3 LYS 106 HG3 LYS 106 15.414 7.773 -4.373 805 HD2 LYS 106 HD2 LYS 106 14.198 6.168 -5.917 806 HD3 LYS 106 HD3 LYS 106 12.689 6.997 -5.513 807 HE2 LYS 106 HE2 LYS 106 13.156 8.780 -6.880 808 HE3 LYS 106 HE3 LYS 106 14.851 8.824 -6.367 809 HZ1 LYS 106 HZ1 LYS 106 15.313 6.990 -7.813 810 HZ2 LYS 106 HZ2 LYS 106 14.736 8.258 -8.652 811 HZ3 LYS 106 HZ3 LYS 106 13.753 6.958 -8.381 812 H ASP 107 H ASP 107 15.386 5.872 0.564 813 HA ASP 107 HA ASP 107 14.002 3.272 0.519 814 HB2 ASP 107 HB2 ASP 107 15.479 4.607 2.811 815 HB3 ASP 107 HB3 ASP 107 14.790 2.996 2.799 816 H GLU 108 H GLU 108 13.129 6.477 1.068 817 HA GLU 108 HA GLU 108 10.692 5.730 2.497 818 HB2 GLU 108 HB2 GLU 108 12.788 7.750 3.260 819 HB3 GLU 108 HB3 GLU 108 11.051 8.094 3.593 820 HG2 GLU 108 HG2 GLU 108 10.854 6.206 5.035 821 HG3 GLU 108 HG3 GLU 108 12.487 5.634 4.606 822 H ILE 109 H ILE 109 9.078 6.802 1.708 823 HA ILE 109 HA ILE 109 9.292 8.952 -0.311 824 HB ILE 109 HB ILE 109 7.849 7.606 -1.894 825 HG12 ILE 109 HG12 ILE 109 8.287 5.021 -1.607 826 HG13 ILE 109 HG13 ILE 109 8.407 5.378 0.106 827 HG21 ILE 109 HG21 ILE 109 9.654 6.385 -2.922 828 HG22 ILE 109 HG22 ILE 109 10.275 7.909 -2.267 829 HG23 ILE 109 HG23 ILE 109 10.579 6.363 -1.431 830 HD11 ILE 109 HD11 ILE 109 6.054 5.585 -1.756 831 HD12 ILE 109 HD12 ILE 109 6.162 4.924 -0.115 832 HD13 ILE 109 HD13 ILE 109 6.081 6.647 -0.348 833 H ILE 110 H ILE 110 6.699 9.375 -0.987 834 HA ILE 110 HA ILE 110 5.126 9.145 1.512 835 HB ILE 110 HB ILE 110 5.067 11.596 -0.226 836 HG12 ILE 110 HG12 ILE 110 7.039 11.006 2.024 837 HG13 ILE 110 HG13 ILE 110 7.412 11.435 0.343 838 HG21 ILE 110 HG21 ILE 110 4.100 12.589 1.746 839 HG22 ILE 110 HG22 ILE 110 3.270 11.056 1.497 840 HG23 ILE 110 HG23 ILE 110 4.530 11.205 2.743 841 HD11 ILE 110 HD11 ILE 110 6.386 13.201 2.513 842 HD12 ILE 110 HD12 ILE 110 7.842 13.347 1.510 843 HD13 ILE 110 HD13 ILE 110 6.238 13.616 0.773 844 H VAL 111 H VAL 111 3.412 7.976 1.156 845 HA VAL 111 HA VAL 111 2.222 7.565 -1.517 846 HB VAL 111 HB VAL 111 1.896 6.282 1.225 847 HG11 VAL 111 HG11 VAL 111 0.575 5.475 -1.384 848 HG12 VAL 111 HG12 VAL 111 0.583 4.484 0.104 849 HG13 VAL 111 HG13 VAL 111 -0.249 6.002 0.085 850 HG21 VAL 111 HG21 VAL 111 3.140 4.441 0.452 851 HG22 VAL 111 HG22 VAL 111 3.210 5.077 -1.220 852 HG23 VAL 111 HG23 VAL 111 4.057 5.862 0.140 853 H GLU 112 H GLU 112 0.187 8.503 -2.034 854 HA GLU 112 HA GLU 112 -1.146 9.980 0.159 855 HB2 GLU 112 HB2 GLU 112 -0.943 11.145 -1.892 856 HB3 GLU 112 HB3 GLU 112 -1.444 9.839 -2.771 857 HG2 GLU 112 HG2 GLU 112 -3.786 10.113 -1.558 858 HG3 GLU 112 HG3 GLU 112 -3.139 11.593 -0.887 859 H PHE 113 H PHE 113 -3.197 9.252 0.976 860 HA PHE 113 HA PHE 113 -4.658 7.105 -0.351 861 HB2 PHE 113 HB2 PHE 113 -2.977 5.983 1.177 862 HB3 PHE 113 HB3 PHE 113 -3.681 6.869 2.527 863 HD1 PHE 113 HD2 PHE 113 -4.935 4.891 -0.399 864 HD2 PHE 113 HD1 PHE 113 -5.181 5.539 3.832 865 HE1 PHE 113 HE2 PHE 113 -6.607 3.148 -0.280 866 HE2 PHE 113 HE1 PHE 113 -6.788 3.688 4.016 867 HZ PHE 113 HZ PHE 113 -7.549 2.484 1.988 868 H ASN 114 H ASN 114 -6.863 7.206 0.243 869 HA ASN 114 HA ASN 114 -8.767 8.368 0.812 870 HB2 ASN 114 HB2 ASN 114 -7.342 8.169 3.493 871 HB3 ASN 114 HB3 ASN 114 -8.979 8.768 3.357 872 HD21 ASN 114 HD21 ASN 114 -10.248 7.049 1.588 873 HD22 ASN 114 HD22 ASN 114 -10.161 5.423 2.273 874 H ARG 115 H ARG 115 -6.887 10.063 -0.414 875 HA ARG 115 HA ARG 115 -6.603 12.198 -0.963 876 HB2 ARG 115 HB2 ARG 115 -8.710 13.012 1.064 877 HB3 ARG 115 HB3 ARG 115 -8.137 13.921 -0.308 878 HG2 ARG 115 HG2 ARG 115 -9.799 13.117 -1.524 879 HG3 ARG 115 HG3 ARG 115 -9.017 11.537 -1.492 880 HD2 ARG 115 HD2 ARG 115 -11.355 11.336 -0.861 881 HD3 ARG 115 HD3 ARG 115 -10.314 10.917 0.499 882 HE ARG 115 HE ARG 115 -11.084 12.720 1.697 883 HH11 ARG 115 HH11 ARG 115 -12.437 13.033 -1.592 884 HH12 ARG 115 HH12 ARG 115 -13.326 14.470 -1.214 885 HH21 ARG 115 HH21 ARG 115 -12.079 14.619 2.124 886 HH22 ARG 115 HH22 ARG 115 -13.125 15.397 0.969 887 H GLU 116 H GLU 116 -5.151 11.027 1.640 888 HA GLU 116 HA GLU 116 -4.011 13.643 2.429 889 HB2 GLU 116 HB2 GLU 116 -4.953 11.241 4.036 890 HB3 GLU 116 HB3 GLU 116 -3.697 12.301 4.671 891 HG2 GLU 116 HG2 GLU 116 -6.436 13.280 3.717 892 HG3 GLU 116 HG3 GLU 116 -6.071 12.863 5.372 893 H TYR 117 H TYR 117 -1.818 13.528 2.941 894 HA TYR 117 HA TYR 117 -0.350 11.451 1.419 895 HB2 TYR 117 HB2 TYR 117 0.512 14.160 2.482 896 HB3 TYR 117 HB3 TYR 117 1.521 13.042 1.573 897 HD1 TYR 117 HD1 TYR 117 -1.572 12.699 -0.053 898 HD2 TYR 117 HD2 TYR 117 1.581 15.553 0.531 899 HE1 TYR 117 HE1 TYR 117 -2.185 13.774 -2.176 900 HE2 TYR 117 HE2 TYR 117 1.045 16.556 -1.708 901 HH TYR 117 HH TYR 117 -0.687 16.715 -3.401 902 H TYR 118 H TYR 118 0.866 9.919 2.319 903 HA TYR 118 HA TYR 118 1.563 10.189 5.231 904 HB2 TYR 118 HB2 TYR 118 0.679 7.687 3.786 905 HB3 TYR 118 HB3 TYR 118 1.248 7.765 5.445 906 HD1 TYR 118 HD1 TYR 118 -1.514 8.750 3.153 907 HD2 TYR 118 HD2 TYR 118 -0.185 8.509 7.258 908 HE1 TYR 118 HE1 TYR 118 -3.776 9.232 3.900 909 HE2 TYR 118 HE2 TYR 118 -2.474 9.023 8.032 910 HH TYR 118 HH TYR 118 -5.078 9.904 5.721 911 H ARG 119 H ARG 119 3.622 10.033 5.688 912 HA ARG 119 HA ARG 119 5.582 9.402 3.612 913 HB2 ARG 119 HB2 ARG 119 6.001 11.165 5.271 914 HB3 ARG 119 HB3 ARG 119 5.994 9.980 6.586 915 HG2 ARG 119 HG2 ARG 119 7.809 9.515 4.208 916 HG3 ARG 119 HG3 ARG 119 8.239 10.828 5.295 917 HD2 ARG 119 HD2 ARG 119 7.824 7.949 6.223 918 HD3 ARG 119 HD3 ARG 119 9.371 8.669 5.791 919 HE ARG 119 HE ARG 119 7.799 9.152 8.220 920 HH11 ARG 119 HH11 ARG 119 10.849 9.806 6.609 921 HH12 ARG 119 HH12 ARG 119 11.269 11.178 7.548 922 HH21 ARG 119 HH21 ARG 119 8.402 10.794 9.689 923 HH22 ARG 119 HH22 ARG 119 9.895 11.611 9.498 924 H ALA 120 H ALA 120 6.280 7.468 3.163 925 HA ALA 120 HA ALA 120 5.755 5.260 5.060 926 HB1 ALA 120 HB1 ALA 120 5.773 5.057 2.045 927 HB2 ALA 120 HB2 ALA 120 5.233 3.837 3.227 928 HB3 ALA 120 HB3 ALA 120 4.299 5.326 2.997 929 H VAL 121 H VAL 121 7.319 3.419 4.800 930 HA VAL 121 HA VAL 121 9.990 4.196 3.730 931 HB VAL 121 HB VAL 121 9.819 4.742 6.107 932 HG11 VAL 121 HG11 VAL 121 9.229 1.880 6.715 933 HG12 VAL 121 HG12 VAL 121 9.550 3.232 7.828 934 HG13 VAL 121 HG13 VAL 121 8.111 3.273 6.780 935 HG21 VAL 121 HG21 VAL 121 12.006 3.700 5.192 936 HG22 VAL 121 HG22 VAL 121 11.733 3.634 6.950 937 HG23 VAL 121 HG23 VAL 121 11.457 2.203 5.958 938 H LEU 122 H LEU 122 11.212 2.602 2.953 939 HA LEU 122 HA LEU 122 10.066 0.183 2.049 940 HB2 LEU 122 HB2 LEU 122 11.818 1.588 0.989 941 HB3 LEU 122 HB3 LEU 122 12.956 1.149 2.289 942 HG LEU 122 HG LEU 122 12.779 -1.192 1.636 943 HD11 LEU 122 HD11 LEU 122 10.630 -1.438 0.545 944 HD12 LEU 122 HD12 LEU 122 11.816 -1.645 -0.746 945 HD13 LEU 122 HD13 LEU 122 10.975 -0.109 -0.582 946 HD21 LEU 122 HD21 LEU 122 13.400 0.669 -0.702 947 HD22 LEU 122 HD22 LEU 122 14.101 -0.945 -0.470 948 HD23 LEU 122 HD23 LEU 122 14.496 0.382 0.643 949 H ILE 123 H ILE 123 9.897 -1.788 3.104 950 HA ILE 123 HA ILE 123 10.567 -1.813 5.949 951 HB ILE 123 HB ILE 123 9.065 -3.689 4.069 952 HG12 ILE 123 HG12 ILE 123 8.042 -1.911 6.322 953 HG13 ILE 123 HG13 ILE 123 8.115 -1.359 4.648 954 HG21 ILE 123 HG21 ILE 123 9.342 -3.856 7.108 955 HG22 ILE 123 HG22 ILE 123 8.248 -4.838 6.115 956 HG23 ILE 123 HG23 ILE 123 9.987 -5.029 5.930 957 HD11 ILE 123 HD11 ILE 123 5.911 -2.084 4.884 958 HD12 ILE 123 HD12 ILE 123 6.788 -3.379 4.006 959 HD13 ILE 123 HD13 ILE 123 6.403 -3.575 5.727 960 H LYS 124 H LYS 124 11.339 -3.563 3.049 961 HA LYS 124 HA LYS 124 13.180 -5.466 4.058 962 HB2 LYS 124 HB2 LYS 124 13.567 -5.784 1.712 963 HB3 LYS 124 HB3 LYS 124 11.859 -5.569 2.001 964 HG2 LYS 124 HG2 LYS 124 11.967 -3.309 1.119 965 HG3 LYS 124 HG3 LYS 124 13.737 -3.352 1.030 966 HD2 LYS 124 HD2 LYS 124 12.885 -3.628 -1.169 967 HD3 LYS 124 HD3 LYS 124 13.598 -5.159 -0.671 968 HE2 LYS 124 HE2 LYS 124 10.655 -4.582 -0.247 969 HE3 LYS 124 HE3 LYS 124 11.255 -5.070 -1.853 970 HZ1 LYS 124 HZ1 LYS 124 10.633 -7.078 -0.718 971 HZ2 LYS 124 HZ2 LYS 124 11.448 -6.719 0.620 972 HZ3 LYS 124 HZ3 LYS 124 12.251 -7.047 -0.784 973 H ASN 125 H ASN 125 13.656 -2.322 4.392 974 HA ASN 125 HA ASN 125 16.524 -2.186 3.587 975 HB2 ASN 125 HB2 ASN 125 14.968 -0.494 2.651 976 HB3 ASN 125 HB3 ASN 125 14.475 -0.034 4.282 977 HD21 ASN 125 HD21 ASN 125 15.436 1.812 4.877 978 HD22 ASN 125 HD22 ASN 125 16.936 2.425 4.195 979 H GLU 126 H GLU 126 14.172 -2.215 6.190 980 HA GLU 126 HA GLU 126 16.266 -1.670 8.212 981 HB2 GLU 126 HB2 GLU 126 14.512 -1.035 9.721 982 HB3 GLU 126 HB3 GLU 126 14.480 -0.027 8.279 983 HG2 GLU 126 HG2 GLU 126 12.559 -1.302 7.400 984 HG3 GLU 126 HG3 GLU 126 12.593 -2.363 8.823 985 H LYS 127 H LYS 127 15.247 -2.986 10.370 986 HA LYS 127 HA LYS 127 14.709 -5.789 9.501 987 HB2 LYS 127 HB2 LYS 127 16.909 -4.877 11.407 988 HB3 LYS 127 HB3 LYS 127 16.453 -6.548 11.074 989 HG2 LYS 127 HG2 LYS 127 17.020 -6.216 8.653 990 HG3 LYS 127 HG3 LYS 127 17.609 -4.585 9.049 991 HD2 LYS 127 HD2 LYS 127 19.211 -5.580 10.661 992 HD3 LYS 127 HD3 LYS 127 18.688 -7.198 10.157 993 HE2 LYS 127 HE2 LYS 127 19.318 -6.587 7.792 994 HE3 LYS 127 HE3 LYS 127 19.947 -5.045 8.399 995 HZ1 LYS 127 HZ1 LYS 127 20.966 -7.757 8.889 996 HZ2 LYS 127 HZ2 LYS 127 21.341 -6.553 9.917 997 HZ3 LYS 127 HZ3 LYS 127 21.771 -6.446 8.327 998 H GLU 128 H GLU 128 13.103 -3.582 10.591 999 HA GLU 128 HA GLU 128 12.447 -4.477 13.312 1000 HB2 GLU 128 HB2 GLU 128 11.451 -2.069 11.750 1001 HB3 GLU 128 HB3 GLU 128 11.346 -2.342 13.492 1002 HG2 GLU 128 HG2 GLU 128 13.899 -1.801 11.878 1003 HG3 GLU 128 HG3 GLU 128 13.049 -0.661 12.893 Start of MODEL 7 1 H1 GLY 1 H GLY 1 44.065 -23.913 8.066 2 HA2 GLY 1 HA2 GLY 1 44.781 -21.283 9.264 3 HA3 GLY 1 HA3 GLY 1 44.926 -21.675 7.528 4 H SER 2 H SER 2 43.386 -19.778 7.160 5 HA SER 2 HA SER 2 40.669 -20.037 8.117 6 HB2 SER 2 HB2 SER 2 40.592 -17.967 6.470 7 HB3 SER 2 HB3 SER 2 41.444 -17.835 8.007 8 HG SER 2 HG SER 2 42.596 -17.087 6.072 9 H THR 3 H THR 3 39.248 -19.296 5.789 10 HA THR 3 HA THR 3 39.730 -21.315 3.747 11 HB THR 3 HB THR 3 37.055 -21.069 5.197 12 HG1 THR 3 HG1 THR 3 39.300 -22.648 5.705 13 HG21 THR 3 HG21 THR 3 36.807 -22.006 2.939 14 HG22 THR 3 HG22 THR 3 36.607 -23.285 4.135 15 HG23 THR 3 HG23 THR 3 38.135 -23.157 3.241 16 H MET 4 H MET 4 38.042 -20.721 1.861 17 HA MET 4 HA MET 4 37.477 -17.816 1.827 18 HB2 MET 4 HB2 MET 4 39.676 -18.179 0.798 19 HB3 MET 4 HB3 MET 4 39.030 -19.484 -0.202 20 HG2 MET 4 HG2 MET 4 37.594 -17.875 -1.396 21 HG3 MET 4 HG3 MET 4 38.224 -16.556 -0.389 22 HE1 MET 4 HE1 MET 4 39.795 -16.139 -4.082 23 HE2 MET 4 HE2 MET 4 38.192 -16.779 -3.658 24 HE3 MET 4 HE3 MET 4 38.819 -15.318 -2.849 25 H HIS 5 H HIS 5 35.455 -17.428 0.962 26 HA HIS 5 HA HIS 5 34.152 -19.152 -0.916 27 HB2 HIS 5 HB2 HIS 5 33.681 -20.341 1.244 28 HB3 HIS 5 HB3 HIS 5 33.056 -18.838 1.924 29 HD1 HIS 5 HD1 HIS 5 30.512 -18.252 1.337 30 HD2 HIS 5 HD2 HIS 5 32.179 -21.568 -0.693 31 HE1 HIS 5 HE1 HIS 5 28.582 -19.463 0.218 32 H PHE 6 H PHE 6 32.176 -17.964 -1.660 33 HA PHE 6 HA PHE 6 31.608 -15.293 -0.693 34 HB2 PHE 6 HB2 PHE 6 32.926 -15.835 -3.398 35 HB3 PHE 6 HB3 PHE 6 31.877 -14.456 -3.138 36 HD1 PHE 6 HD2 PHE 6 32.419 -12.778 -1.283 37 HD2 PHE 6 HD1 PHE 6 35.261 -15.662 -2.776 38 HE1 PHE 6 HE2 PHE 6 34.270 -11.412 -0.389 39 HE2 PHE 6 HE1 PHE 6 37.120 -14.284 -1.860 40 HZ PHE 6 HZ PHE 6 36.629 -12.159 -0.673 41 H THR 7 H THR 7 29.604 -14.532 -1.827 42 HA THR 7 HA THR 7 28.066 -16.723 -3.123 43 HB THR 7 HB THR 7 26.099 -15.541 -1.957 44 HG1 THR 7 HG1 THR 7 26.881 -13.721 -1.090 45 HG21 THR 7 HG21 THR 7 26.433 -16.802 0.101 46 HG22 THR 7 HG22 THR 7 28.175 -16.944 -0.218 47 HG23 THR 7 HG23 THR 7 27.005 -17.753 -1.281 48 H ASP 8 H ASP 8 25.887 -15.244 -3.971 49 HA ASP 8 HA ASP 8 26.961 -13.121 -5.729 50 HB2 ASP 8 HB2 ASP 8 26.900 -15.149 -7.088 51 HB3 ASP 8 HB3 ASP 8 25.253 -15.498 -6.554 52 H ASP 9 H ASP 9 25.439 -11.497 -6.018 53 HA ASP 9 HA ASP 9 23.166 -11.541 -4.103 54 HB2 ASP 9 HB2 ASP 9 24.586 -9.294 -5.587 55 HB3 ASP 9 HB3 ASP 9 23.110 -9.070 -4.646 56 H ASN 10 H ASN 10 21.059 -11.096 -4.762 57 HA ASN 10 HA ASN 10 20.477 -10.661 -7.589 58 HB2 ASN 10 HB2 ASN 10 20.677 -13.205 -7.160 59 HB3 ASN 10 HB3 ASN 10 19.219 -13.049 -6.166 60 HD21 ASN 10 HD21 ASN 10 18.180 -14.577 -7.817 61 HD22 ASN 10 HD22 ASN 10 17.809 -13.912 -9.416 62 H GLU 11 H GLU 11 17.936 -10.601 -7.755 63 HA GLU 11 HA GLU 11 16.979 -8.497 -6.184 64 HB2 GLU 11 HB2 GLU 11 14.735 -9.086 -7.084 65 HB3 GLU 11 HB3 GLU 11 16.004 -8.894 -8.282 66 HG2 GLU 11 HG2 GLU 11 16.192 -11.539 -8.141 67 HG3 GLU 11 HG3 GLU 11 14.604 -11.416 -7.370 68 H ASN 12 H ASN 12 15.516 -8.345 -4.489 69 HA ASN 12 HA ASN 12 14.627 -10.594 -2.912 70 HB2 ASN 12 HB2 ASN 12 15.825 -9.809 -0.874 71 HB3 ASN 12 HB3 ASN 12 16.910 -10.525 -2.053 72 HD21 ASN 12 HD21 ASN 12 18.094 -8.794 -3.599 73 HD22 ASN 12 HD22 ASN 12 18.268 -7.180 -2.912 74 H ASP 13 H ASP 13 12.634 -9.744 -3.315 75 HA ASP 13 HA ASP 13 12.069 -7.089 -2.158 76 HB2 ASP 13 HB2 ASP 13 11.285 -7.959 -4.977 77 HB3 ASP 13 HB3 ASP 13 10.701 -6.502 -4.161 78 H THR 14 H THR 14 9.529 -6.817 -2.273 79 HA THR 14 HA THR 14 8.468 -8.916 -0.637 80 HB THR 14 HB THR 14 7.811 -6.591 -0.403 81 HG1 THR 14 HG1 THR 14 6.279 -8.206 0.151 82 HG21 THR 14 HG21 THR 14 6.387 -6.768 -3.110 83 HG22 THR 14 HG22 THR 14 7.816 -5.769 -2.765 84 HG23 THR 14 HG23 THR 14 6.255 -5.458 -1.987 85 H SER 15 H SER 15 8.022 -7.949 -3.986 86 HA SER 15 HA SER 15 7.147 -8.856 -5.794 87 HB2 SER 15 HB2 SER 15 7.906 -11.534 -4.620 88 HB3 SER 15 HB3 SER 15 7.864 -11.038 -6.322 89 HG SER 15 HG SER 15 9.627 -9.701 -5.941 90 H GLU 16 H GLU 16 5.310 -8.054 -4.180 91 HA GLU 16 HA GLU 16 3.090 -9.904 -4.569 92 HB2 GLU 16 HB2 GLU 16 2.296 -9.904 -2.488 93 HB3 GLU 16 HB3 GLU 16 4.029 -9.873 -2.114 94 HG2 GLU 16 HG2 GLU 16 3.848 -7.449 -1.677 95 HG3 GLU 16 HG3 GLU 16 2.111 -7.553 -1.915 96 H THR 17 H THR 17 1.003 -8.478 -4.228 97 HA THR 17 HA THR 17 1.507 -5.861 -5.568 98 HB THR 17 HB THR 17 0.791 -7.730 -6.976 99 HG1 THR 17 HG1 THR 17 -1.479 -6.140 -7.025 100 HG21 THR 17 HG21 THR 17 -1.584 -8.492 -6.869 101 HG22 THR 17 HG22 THR 17 -1.703 -7.745 -5.260 102 HG23 THR 17 HG23 THR 17 -0.575 -9.084 -5.550 103 H MET 18 H MET 18 -0.555 -4.432 -5.364 104 HA MET 18 HA MET 18 -0.839 -3.831 -2.616 105 HB2 MET 18 HB2 MET 18 -2.265 -2.973 -5.139 106 HB3 MET 18 HB3 MET 18 -2.937 -2.511 -3.577 107 HG2 MET 18 HG2 MET 18 -0.012 -2.079 -4.000 108 HG3 MET 18 HG3 MET 18 -1.109 -1.032 -4.870 109 HE1 MET 18 HE1 MET 18 -2.925 -1.769 -1.461 110 HE2 MET 18 HE2 MET 18 -1.321 -2.445 -1.102 111 HE3 MET 18 HE3 MET 18 -1.864 -0.966 -0.291 112 H GLU 19 H GLU 19 -2.875 -5.733 -4.839 113 HA GLU 19 HA GLU 19 -5.161 -5.962 -3.298 114 HB2 GLU 19 HB2 GLU 19 -3.914 -8.126 -5.080 115 HB3 GLU 19 HB3 GLU 19 -5.560 -8.103 -4.513 116 HG2 GLU 19 HG2 GLU 19 -5.988 -7.146 -6.502 117 HG3 GLU 19 HG3 GLU 19 -5.537 -5.669 -5.661 118 H SER 20 H SER 20 -2.262 -8.128 -3.288 119 HA SER 20 HA SER 20 -3.081 -9.968 -1.399 120 HB2 SER 20 HB2 SER 20 -0.352 -9.851 -1.061 121 HB3 SER 20 HB3 SER 20 -1.219 -10.782 -2.288 122 HG SER 20 HG SER 20 -0.197 -8.152 -2.642 123 H LEU 21 H LEU 21 -1.906 -6.712 -0.891 124 HA LEU 21 HA LEU 21 -1.199 -7.114 1.900 125 HB2 LEU 21 HB2 LEU 21 -2.053 -4.584 0.415 126 HB3 LEU 21 HB3 LEU 21 -1.331 -4.634 2.006 127 HG LEU 21 HG LEU 21 -0.127 -4.943 -0.717 128 HD11 LEU 21 HD11 LEU 21 0.835 -3.652 1.877 129 HD12 LEU 21 HD12 LEU 21 -0.162 -2.865 0.658 130 HD13 LEU 21 HD13 LEU 21 1.492 -3.384 0.252 131 HD21 LEU 21 HD21 LEU 21 1.963 -5.857 0.192 132 HD22 LEU 21 HD22 LEU 21 0.645 -7.018 0.284 133 HD23 LEU 21 HD23 LEU 21 1.167 -6.150 1.753 134 H ILE 22 H ILE 22 -3.946 -5.558 0.201 135 HA ILE 22 HA ILE 22 -5.522 -5.104 2.480 136 HB ILE 22 HB ILE 22 -6.467 -5.651 -0.370 137 HG12 ILE 22 HG12 ILE 22 -5.936 -2.921 0.897 138 HG13 ILE 22 HG13 ILE 22 -4.709 -3.749 -0.057 139 HG21 ILE 22 HG21 ILE 22 -8.277 -5.783 1.270 140 HG22 ILE 22 HG22 ILE 22 -7.725 -4.291 2.047 141 HG23 ILE 22 HG23 ILE 22 -8.437 -4.254 0.405 142 HD11 ILE 22 HD11 ILE 22 -5.841 -2.222 -1.499 143 HD12 ILE 22 HD12 ILE 22 -6.260 -3.872 -1.992 144 HD13 ILE 22 HD13 ILE 22 -7.423 -2.893 -1.069 145 H ASP 23 H ASP 23 -5.506 -7.867 0.238 146 HA ASP 23 HA ASP 23 -7.483 -9.448 1.287 147 HB2 ASP 23 HB2 ASP 23 -5.027 -9.965 -0.332 148 HB3 ASP 23 HB3 ASP 23 -5.797 -11.356 0.400 149 H LYS 24 H LYS 24 -4.515 -8.716 2.876 150 HA LYS 24 HA LYS 24 -4.969 -10.969 4.804 151 HB2 LYS 24 HB2 LYS 24 -2.719 -11.344 4.780 152 HB3 LYS 24 HB3 LYS 24 -2.695 -10.371 3.344 153 HG2 LYS 24 HG2 LYS 24 -1.050 -9.339 4.489 154 HG3 LYS 24 HG3 LYS 24 -2.363 -8.339 5.008 155 HD2 LYS 24 HD2 LYS 24 -2.265 -10.527 6.882 156 HD3 LYS 24 HD3 LYS 24 -0.601 -10.068 6.561 157 HE2 LYS 24 HE2 LYS 24 -1.644 -7.600 7.035 158 HE3 LYS 24 HE3 LYS 24 -2.821 -8.560 7.908 159 HZ1 LYS 24 HZ1 LYS 24 -1.068 -9.439 9.271 160 HZ2 LYS 24 HZ2 LYS 24 -0.960 -7.820 9.266 161 HZ3 LYS 24 HZ3 LYS 24 0.098 -8.695 8.370 162 H GLY 25 H GLY 25 -5.171 -7.584 4.391 163 HA2 GLY 25 HA2 GLY 25 -6.207 -6.182 5.977 164 HA3 GLY 25 HA3 GLY 25 -5.633 -7.184 7.293 165 H LYS 26 H LYS 26 -3.557 -6.172 4.592 166 HA LYS 26 HA LYS 26 -1.754 -4.805 6.560 167 HB2 LYS 26 HB2 LYS 26 -1.334 -5.990 3.839 168 HB3 LYS 26 HB3 LYS 26 -0.372 -4.575 4.260 169 HG2 LYS 26 HG2 LYS 26 0.254 -5.782 6.397 170 HG3 LYS 26 HG3 LYS 26 -0.425 -7.231 5.662 171 HD2 LYS 26 HD2 LYS 26 1.586 -5.696 4.037 172 HD3 LYS 26 HD3 LYS 26 2.135 -6.571 5.460 173 HE2 LYS 26 HE2 LYS 26 1.014 -8.618 4.591 174 HE3 LYS 26 HE3 LYS 26 0.687 -7.776 3.075 175 HZ1 LYS 26 HZ1 LYS 26 2.926 -7.795 2.540 176 HZ2 LYS 26 HZ2 LYS 26 2.755 -9.182 3.342 177 HZ3 LYS 26 HZ3 LYS 26 3.436 -7.889 4.131 178 H LEU 27 H LEU 27 -3.573 -3.295 6.821 179 HA LEU 27 HA LEU 27 -3.930 -1.270 4.701 180 HB2 LEU 27 HB2 LEU 27 -4.974 -1.557 7.561 181 HB3 LEU 27 HB3 LEU 27 -5.354 -0.208 6.557 182 HG LEU 27 HG LEU 27 -7.229 -1.558 6.361 183 HD11 LEU 27 HD11 LEU 27 -5.583 -2.494 3.969 184 HD12 LEU 27 HD12 LEU 27 -6.466 -0.946 4.052 185 HD13 LEU 27 HD13 LEU 27 -7.342 -2.491 4.100 186 HD21 LEU 27 HD21 LEU 27 -6.042 -3.631 7.337 187 HD22 LEU 27 HD22 LEU 27 -5.611 -3.994 5.651 188 HD23 LEU 27 HD23 LEU 27 -7.309 -3.921 6.134 189 H ASP 28 H ASP 28 -1.535 -1.814 6.863 190 HA ASP 28 HA ASP 28 -0.919 1.046 7.475 191 HB2 ASP 28 HB2 ASP 28 -0.791 -1.376 8.944 192 HB3 ASP 28 HB3 ASP 28 0.877 -0.914 8.686 193 H GLN 29 H GLN 29 -0.281 -0.952 4.925 194 HA GLN 29 HA GLN 29 2.219 0.415 4.323 195 HB2 GLN 29 HB2 GLN 29 3.405 -1.740 3.812 196 HB3 GLN 29 HB3 GLN 29 3.170 -1.328 5.496 197 HG2 GLN 29 HG2 GLN 29 1.059 -2.947 5.279 198 HG3 GLN 29 HG3 GLN 29 2.021 -3.564 3.923 199 HE21 GLN 29 HE21 GLN 29 4.619 -3.374 4.957 200 HE22 GLN 29 HE22 GLN 29 4.769 -4.245 6.468 201 H VAL 30 H VAL 30 2.790 0.023 2.009 202 HA VAL 30 HA VAL 30 0.550 -0.981 0.300 203 HB VAL 30 HB VAL 30 0.571 1.007 -1.069 204 HG11 VAL 30 HG11 VAL 30 -0.644 2.517 0.330 205 HG12 VAL 30 HG12 VAL 30 -1.008 0.877 0.892 206 HG13 VAL 30 HG13 VAL 30 0.119 1.891 1.804 207 HG21 VAL 30 HG21 VAL 30 1.712 3.009 -0.518 208 HG22 VAL 30 HG22 VAL 30 2.413 2.288 0.962 209 HG23 VAL 30 HG23 VAL 30 2.905 1.738 -0.662 210 H VAL 31 H VAL 31 1.223 -1.098 -2.151 211 HA VAL 31 HA VAL 31 4.064 -1.555 -2.368 212 HB VAL 31 HB VAL 31 2.230 -3.000 -4.228 213 HG11 VAL 31 HG11 VAL 31 4.615 -3.010 -4.567 214 HG12 VAL 31 HG12 VAL 31 4.805 -3.869 -3.010 215 HG13 VAL 31 HG13 VAL 31 3.904 -4.612 -4.345 216 HG21 VAL 31 HG21 VAL 31 2.960 -4.070 -1.472 217 HG22 VAL 31 HG22 VAL 31 1.302 -3.767 -2.059 218 HG23 VAL 31 HG23 VAL 31 2.297 -5.060 -2.763 219 H TYR 32 H TYR 32 5.010 -0.717 -4.245 220 HA TYR 32 HA TYR 32 3.445 0.278 -6.496 221 HB2 TYR 32 HB2 TYR 32 3.192 2.302 -5.231 222 HB3 TYR 32 HB3 TYR 32 4.795 2.128 -4.560 223 HD1 TYR 32 HD1 TYR 32 3.458 2.232 -8.082 224 HD2 TYR 32 HD2 TYR 32 6.252 3.871 -5.241 225 HE1 TYR 32 HE1 TYR 32 4.667 3.324 -9.916 226 HE2 TYR 32 HE2 TYR 32 7.447 5.048 -7.069 227 HH TYR 32 HH TYR 32 6.729 4.330 -10.488 228 H ASP 33 H ASP 33 4.743 0.124 -8.293 229 HA ASP 33 HA ASP 33 6.418 -0.625 -9.565 230 HB2 ASP 33 HB2 ASP 33 7.046 1.716 -8.782 231 HB3 ASP 33 HB3 ASP 33 8.219 0.968 -7.728 232 H ASP 34 H ASP 34 5.675 -2.432 -7.522 233 HA ASP 34 HA ASP 34 6.194 -4.479 -6.697 234 HB2 ASP 34 HB2 ASP 34 7.469 -4.514 -8.912 235 HB3 ASP 34 HB3 ASP 34 8.916 -4.200 -7.928 236 H GLN 35 H GLN 35 6.871 -2.037 -5.173 237 HA GLN 35 HA GLN 35 8.952 -3.222 -3.352 238 HB2 GLN 35 HB2 GLN 35 8.492 -0.265 -3.736 239 HB3 GLN 35 HB3 GLN 35 9.716 -1.044 -2.742 240 HG2 GLN 35 HG2 GLN 35 9.581 -0.713 -5.709 241 HG3 GLN 35 HG3 GLN 35 10.821 -0.234 -4.544 242 HE21 GLN 35 HE21 GLN 35 11.451 -2.610 -3.251 243 HE22 GLN 35 HE22 GLN 35 11.973 -3.820 -4.423 244 H LEU 36 H LEU 36 8.628 -2.874 -1.204 245 HA LEU 36 HA LEU 36 5.797 -2.331 -0.457 246 HB2 LEU 36 HB2 LEU 36 6.889 -4.646 -0.142 247 HB3 LEU 36 HB3 LEU 36 7.814 -3.934 1.154 248 HG LEU 36 HG LEU 36 5.635 -3.376 2.309 249 HD11 LEU 36 HD11 LEU 36 4.408 -5.025 0.060 250 HD12 LEU 36 HD12 LEU 36 4.110 -3.302 0.358 251 HD13 LEU 36 HD13 LEU 36 3.572 -4.498 1.537 252 HD21 LEU 36 HD21 LEU 36 6.912 -5.487 2.760 253 HD22 LEU 36 HD22 LEU 36 6.021 -6.282 1.445 254 HD23 LEU 36 HD23 LEU 36 5.160 -5.753 2.898 255 H TYR 37 H TYR 37 5.395 -0.579 0.665 256 HA TYR 37 HA TYR 37 7.594 0.576 2.291 257 HB2 TYR 37 HB2 TYR 37 5.365 2.281 1.275 258 HB3 TYR 37 HB3 TYR 37 6.993 2.729 1.767 259 HD1 TYR 37 HD1 TYR 37 8.860 1.318 0.152 260 HD2 TYR 37 HD2 TYR 37 4.982 2.895 -0.866 261 HE1 TYR 37 HE1 TYR 37 9.592 1.569 -2.207 262 HE2 TYR 37 HE2 TYR 37 5.735 3.216 -3.166 263 HH TYR 37 HH TYR 37 8.912 2.196 -4.436 264 H HIS 38 H HIS 38 7.177 0.988 4.397 265 HA HIS 38 HA HIS 38 4.617 0.273 5.611 266 HB2 HIS 38 HB2 HIS 38 7.442 0.139 6.252 267 HB3 HIS 38 HB3 HIS 38 6.762 1.141 7.434 268 HD1 HIS 38 HD1 HIS 38 7.713 -1.843 8.214 269 HD2 HIS 38 HD2 HIS 38 3.764 -0.498 7.466 270 HE1 HIS 38 HE1 HIS 38 6.153 -3.499 9.296 271 H LEU 39 H LEU 39 3.223 1.812 6.355 272 HA LEU 39 HA LEU 39 3.877 4.629 5.947 273 HB2 LEU 39 HB2 LEU 39 1.529 3.339 7.389 274 HB3 LEU 39 HB3 LEU 39 1.611 5.004 6.813 275 HG LEU 39 HG LEU 39 1.678 2.538 5.011 276 HD11 LEU 39 HD11 LEU 39 -0.557 3.122 4.403 277 HD12 LEU 39 HD12 LEU 39 -0.535 4.550 5.488 278 HD13 LEU 39 HD13 LEU 39 -0.478 2.908 6.159 279 HD21 LEU 39 HD21 LEU 39 2.849 4.351 3.923 280 HD22 LEU 39 HD22 LEU 39 1.558 5.501 4.321 281 HD23 LEU 39 HD23 LEU 39 1.259 4.176 3.173 282 H LYS 40 H LYS 40 4.396 6.138 7.496 283 HA LYS 40 HA LYS 40 4.932 5.149 10.287 284 HB2 LYS 40 HB2 LYS 40 6.512 7.306 8.854 285 HB3 LYS 40 HB3 LYS 40 6.856 6.563 10.411 286 HG2 LYS 40 HG2 LYS 40 6.952 5.225 7.695 287 HG3 LYS 40 HG3 LYS 40 8.334 5.729 8.637 288 HD2 LYS 40 HD2 LYS 40 6.471 3.701 9.855 289 HD3 LYS 40 HD3 LYS 40 7.571 3.228 8.586 290 HE2 LYS 40 HE2 LYS 40 9.507 4.047 9.857 291 HE3 LYS 40 HE3 LYS 40 8.446 4.609 11.140 292 HZ1 LYS 40 HZ1 LYS 40 9.446 2.494 11.661 293 HZ2 LYS 40 HZ2 LYS 40 8.816 1.769 10.351 294 HZ3 LYS 40 HZ3 LYS 40 7.810 2.324 11.549 295 H GLU 41 H GLU 41 4.419 8.100 8.447 296 HA GLU 41 HA GLU 41 2.280 8.878 10.356 297 HB2 GLU 41 HB2 GLU 41 3.190 10.919 11.133 298 HB3 GLU 41 HB3 GLU 41 4.433 9.712 11.384 299 HG2 GLU 41 HG2 GLU 41 5.469 10.461 9.184 300 HG3 GLU 41 HG3 GLU 41 4.333 11.790 9.154 301 H LYS 42 H LYS 42 1.349 11.088 9.799 302 HA LYS 42 HA LYS 42 0.897 11.191 6.858 303 HB2 LYS 42 HB2 LYS 42 -0.968 11.010 8.594 304 HB3 LYS 42 HB3 LYS 42 -0.666 12.699 8.969 305 HG2 LYS 42 HG2 LYS 42 -1.319 11.677 6.173 306 HG3 LYS 42 HG3 LYS 42 -2.569 12.026 7.338 307 HD2 LYS 42 HD2 LYS 42 -0.722 14.301 7.034 308 HD3 LYS 42 HD3 LYS 42 -1.495 13.814 5.513 309 HE2 LYS 42 HE2 LYS 42 -3.702 14.004 6.572 310 HE3 LYS 42 HE3 LYS 42 -2.956 14.426 8.110 311 HZ1 LYS 42 HZ1 LYS 42 -3.656 16.394 7.002 312 HZ2 LYS 42 HZ2 LYS 42 -2.806 16.055 5.637 313 HZ3 LYS 42 HZ3 LYS 42 -2.026 16.403 7.027 314 H VAL 43 H VAL 43 1.193 13.192 5.688 315 HA VAL 43 HA VAL 43 2.655 15.380 7.081 316 HB VAL 43 HB VAL 43 4.258 15.404 5.225 317 HG11 VAL 43 HG11 VAL 43 4.196 12.631 6.476 318 HG12 VAL 43 HG12 VAL 43 5.612 13.509 5.852 319 HG13 VAL 43 HG13 VAL 43 4.754 14.091 7.292 320 HG21 VAL 43 HG21 VAL 43 4.458 13.594 3.642 321 HG22 VAL 43 HG22 VAL 43 3.029 12.777 4.289 322 HG23 VAL 43 HG23 VAL 43 2.862 14.345 3.466 323 H ASP 44 H ASP 44 2.900 17.252 5.486 324 HA ASP 44 HA ASP 44 0.251 17.814 4.325 325 HB2 ASP 44 HB2 ASP 44 1.740 19.314 5.959 326 HB3 ASP 44 HB3 ASP 44 2.520 19.801 4.451 327 H GLU 45 H GLU 45 0.309 19.008 2.125 328 HA GLU 45 HA GLU 45 1.910 17.497 0.221 329 HB2 GLU 45 HB2 GLU 45 0.730 18.631 -1.469 330 HB3 GLU 45 HB3 GLU 45 -0.420 18.110 -0.234 331 HG2 GLU 45 HG2 GLU 45 -0.525 20.426 0.621 332 HG3 GLU 45 HG3 GLU 45 0.656 20.939 -0.582 333 H ASP 46 H ASP 46 2.555 20.181 2.125 334 HA ASP 46 HA ASP 46 4.340 21.585 0.262 335 HB2 ASP 46 HB2 ASP 46 2.983 22.627 2.047 336 HB3 ASP 46 HB3 ASP 46 3.873 21.710 3.263 337 H LYS 47 H LYS 47 4.486 18.751 2.169 338 HA LYS 47 HA LYS 47 7.343 18.951 2.843 339 HB2 LYS 47 HB2 LYS 47 5.562 16.532 3.264 340 HB3 LYS 47 HB3 LYS 47 7.038 16.977 4.109 341 HG2 LYS 47 HG2 LYS 47 4.301 18.265 4.296 342 HG3 LYS 47 HG3 LYS 47 5.182 17.468 5.595 343 HD2 LYS 47 HD2 LYS 47 6.956 19.371 5.097 344 HD3 LYS 47 HD3 LYS 47 5.539 20.187 4.373 345 HE2 LYS 47 HE2 LYS 47 4.377 20.154 6.501 346 HE3 LYS 47 HE3 LYS 47 5.735 19.256 7.229 347 HZ1 LYS 47 HZ1 LYS 47 5.802 21.996 6.131 348 HZ2 LYS 47 HZ2 LYS 47 7.157 21.162 6.559 349 HZ3 LYS 47 HZ3 LYS 47 6.013 21.592 7.681 350 H LYS 48 H LYS 48 5.395 17.704 0.289 351 HA LYS 48 HA LYS 48 7.282 15.728 -0.620 352 HB2 LYS 48 HB2 LYS 48 6.079 15.668 -2.668 353 HB3 LYS 48 HB3 LYS 48 4.889 15.897 -1.389 354 HG2 LYS 48 HG2 LYS 48 5.127 18.444 -1.998 355 HG3 LYS 48 HG3 LYS 48 5.930 17.888 -3.456 356 HD2 LYS 48 HD2 LYS 48 4.027 16.780 -4.270 357 HD3 LYS 48 HD3 LYS 48 3.264 16.678 -2.707 358 HE2 LYS 48 HE2 LYS 48 2.193 18.259 -4.325 359 HE3 LYS 48 HE3 LYS 48 2.546 18.898 -2.727 360 HZ1 LYS 48 HZ1 LYS 48 3.330 20.560 -3.897 361 HZ2 LYS 48 HZ2 LYS 48 3.669 19.702 -5.262 362 HZ3 LYS 48 HZ3 LYS 48 4.703 19.729 -3.969 363 H GLY 49 H GLY 49 8.631 15.958 -2.511 364 HA2 GLY 49 HA2 GLY 49 9.899 18.637 -2.901 365 HA3 GLY 49 HA3 GLY 49 10.752 17.097 -2.824 366 H LYS 50 H LYS 50 9.051 15.464 -4.300 367 HA LYS 50 HA LYS 50 8.328 16.594 -6.871 368 HB2 LYS 50 HB2 LYS 50 10.042 15.087 -7.992 369 HB3 LYS 50 HB3 LYS 50 10.692 16.528 -7.178 370 HG2 LYS 50 HG2 LYS 50 11.494 15.228 -5.315 371 HG3 LYS 50 HG3 LYS 50 10.752 13.741 -5.943 372 HD2 LYS 50 HD2 LYS 50 12.891 15.335 -7.412 373 HD3 LYS 50 HD3 LYS 50 13.234 13.962 -6.347 374 HE2 LYS 50 HE2 LYS 50 12.006 12.437 -7.769 375 HE3 LYS 50 HE3 LYS 50 11.395 13.766 -8.763 376 HZ1 LYS 50 HZ1 LYS 50 13.651 14.208 -9.482 377 HZ2 LYS 50 HZ2 LYS 50 13.223 12.665 -9.847 378 HZ3 LYS 50 HZ3 LYS 50 14.213 12.918 -8.587 379 H VAL 51 H VAL 51 7.398 14.959 -8.212 380 HA VAL 51 HA VAL 51 6.121 12.748 -6.730 381 HB VAL 51 HB VAL 51 5.719 14.143 -9.388 382 HG11 VAL 51 HG11 VAL 51 4.398 11.473 -8.709 383 HG12 VAL 51 HG12 VAL 51 4.010 12.537 -10.083 384 HG13 VAL 51 HG13 VAL 51 5.572 11.737 -10.024 385 HG21 VAL 51 HG21 VAL 51 3.812 13.328 -7.176 386 HG22 VAL 51 HG22 VAL 51 4.573 14.936 -7.352 387 HG23 VAL 51 HG23 VAL 51 3.438 14.355 -8.566 388 H ILE 52 H ILE 52 6.429 10.571 -7.366 389 HA ILE 52 HA ILE 52 8.690 9.982 -9.236 390 HB ILE 52 HB ILE 52 9.541 8.301 -7.650 391 HG12 ILE 52 HG12 ILE 52 7.704 9.598 -5.581 392 HG13 ILE 52 HG13 ILE 52 7.401 8.035 -6.344 393 HG21 ILE 52 HG21 ILE 52 9.581 11.078 -6.415 394 HG22 ILE 52 HG22 ILE 52 10.791 9.782 -6.237 395 HG23 ILE 52 HG23 ILE 52 10.563 10.554 -7.809 396 HD11 ILE 52 HD11 ILE 52 9.689 8.725 -4.507 397 HD12 ILE 52 HD12 ILE 52 8.340 7.594 -4.280 398 HD13 ILE 52 HD13 ILE 52 9.600 7.221 -5.469 399 H GLY 53 H GLY 53 5.490 9.162 -8.025 400 HA2 GLY 53 HA2 GLY 53 5.191 7.148 -10.070 401 HA3 GLY 53 HA3 GLY 53 5.337 6.494 -8.423 402 H ALA 54 H ALA 54 2.967 5.874 -9.307 403 HA ALA 54 HA ALA 54 1.217 7.521 -7.794 404 HB1 ALA 54 HB1 ALA 54 0.636 6.914 -10.729 405 HB2 ALA 54 HB2 ALA 54 -0.435 7.765 -9.601 406 HB3 ALA 54 HB3 ALA 54 1.087 8.519 -10.130 407 H ILE 55 H ILE 55 -0.131 6.144 -6.639 408 HA ILE 55 HA ILE 55 -0.034 3.278 -7.359 409 HB ILE 55 HB ILE 55 -1.182 4.818 -5.005 410 HG12 ILE 55 HG12 ILE 55 0.978 2.667 -5.080 411 HG13 ILE 55 HG13 ILE 55 1.342 4.385 -5.186 412 HG21 ILE 55 HG21 ILE 55 -1.804 2.687 -4.001 413 HG22 ILE 55 HG22 ILE 55 -2.668 2.953 -5.511 414 HG23 ILE 55 HG23 ILE 55 -1.306 1.820 -5.459 415 HD11 ILE 55 HD11 ILE 55 0.171 4.731 -2.992 416 HD12 ILE 55 HD12 ILE 55 0.051 2.961 -2.819 417 HD13 ILE 55 HD13 ILE 55 1.642 3.736 -2.904 418 H GLY 56 H GLY 56 -2.464 5.876 -6.799 419 HA2 GLY 56 HA2 GLY 56 -4.489 6.362 -7.724 420 HA3 GLY 56 HA3 GLY 56 -3.867 5.641 -9.198 421 H GLN 57 H GLN 57 -3.893 3.182 -6.931 422 HA GLN 57 HA GLN 57 -6.009 1.777 -8.161 423 HB2 GLN 57 HB2 GLN 57 -4.347 1.313 -5.669 424 HB3 GLN 57 HB3 GLN 57 -5.397 0.104 -6.393 425 HG2 GLN 57 HG2 GLN 57 -3.903 0.921 -8.596 426 HG3 GLN 57 HG3 GLN 57 -2.739 1.126 -7.295 427 HE21 GLN 57 HE21 GLN 57 -1.416 -0.661 -7.112 428 HE22 GLN 57 HE22 GLN 57 -1.889 -2.287 -7.458 429 H THR 58 H THR 58 -7.763 0.670 -6.904 430 HA THR 58 HA THR 58 -8.846 2.090 -4.613 431 HB THR 58 HB THR 58 -10.709 1.841 -6.988 432 HG1 THR 58 HG1 THR 58 -9.203 3.227 -7.828 433 HG21 THR 58 HG21 THR 58 -11.987 3.515 -5.796 434 HG22 THR 58 HG22 THR 58 -10.651 3.838 -4.659 435 HG23 THR 58 HG23 THR 58 -11.505 2.289 -4.631 436 H PHE 59 H PHE 59 -10.038 0.594 -3.341 437 HA PHE 59 HA PHE 59 -11.128 -1.856 -4.507 438 HB2 PHE 59 HB2 PHE 59 -8.960 -1.993 -2.376 439 HB3 PHE 59 HB3 PHE 59 -9.931 -3.347 -2.937 440 HD1 PHE 59 HD1 PHE 59 -9.749 -4.059 -5.406 441 HD2 PHE 59 HD2 PHE 59 -6.919 -1.413 -3.495 442 HE1 PHE 59 HE1 PHE 59 -8.056 -4.632 -7.104 443 HE2 PHE 59 HE2 PHE 59 -5.230 -1.990 -5.182 444 HZ PHE 59 HZ PHE 59 -5.779 -3.612 -7.006 445 H PHE 60 H PHE 60 -12.208 -3.159 -2.513 446 HA PHE 60 HA PHE 60 -13.071 -1.280 -0.382 447 HB2 PHE 60 HB2 PHE 60 -14.935 -3.042 -2.004 448 HB3 PHE 60 HB3 PHE 60 -15.349 -2.013 -0.643 449 HD1 PHE 60 HD1 PHE 60 -14.217 -1.986 -4.195 450 HD2 PHE 60 HD2 PHE 60 -15.916 0.307 -0.970 451 HE1 PHE 60 HE1 PHE 60 -14.767 -0.188 -5.779 452 HE2 PHE 60 HE2 PHE 60 -16.603 2.047 -2.574 453 HZ PHE 60 HZ PHE 60 -16.017 1.832 -4.996 454 H VAL 61 H VAL 61 -13.714 -2.422 1.654 455 HA VAL 61 HA VAL 61 -13.526 -5.352 1.609 456 HB VAL 61 HB VAL 61 -12.233 -5.346 3.680 457 HG11 VAL 61 HG11 VAL 61 -10.771 -4.024 1.374 458 HG12 VAL 61 HG12 VAL 61 -10.065 -4.980 2.710 459 HG13 VAL 61 HG13 VAL 61 -11.137 -5.756 1.548 460 HG21 VAL 61 HG21 VAL 61 -11.796 -2.396 3.123 461 HG22 VAL 61 HG22 VAL 61 -12.726 -3.113 4.463 462 HG23 VAL 61 HG23 VAL 61 -10.971 -3.372 4.371 463 H ASP 62 H ASP 62 -14.420 -6.229 3.712 464 HA ASP 62 HA ASP 62 -16.763 -4.652 4.565 465 HB2 ASP 62 HB2 ASP 62 -17.713 -6.802 5.241 466 HB3 ASP 62 HB3 ASP 62 -17.190 -6.883 3.564 467 H GLY 63 H GLY 63 -17.385 -5.743 6.952 468 HA2 GLY 63 HA2 GLY 63 -15.700 -4.304 8.759 469 HA3 GLY 63 HA3 GLY 63 -17.064 -5.356 9.159 470 H ASP 64 H ASP 64 -15.494 -7.576 7.503 471 HA ASP 64 HA ASP 64 -13.988 -8.564 9.844 472 HB2 ASP 64 HB2 ASP 64 -15.718 -9.982 8.820 473 HB3 ASP 64 HB3 ASP 64 -14.842 -9.953 7.285 474 H GLY 65 H GLY 65 -13.458 -7.072 6.794 475 HA2 GLY 65 HA2 GLY 65 -11.348 -6.176 6.115 476 HA3 GLY 65 HA3 GLY 65 -10.505 -7.351 7.138 477 H LYS 66 H LYS 66 -13.197 -8.238 4.948 478 HA LYS 66 HA LYS 66 -11.309 -9.905 3.364 479 HB2 LYS 66 HB2 LYS 66 -14.164 -10.123 4.251 480 HB3 LYS 66 HB3 LYS 66 -13.827 -10.672 2.629 481 HG2 LYS 66 HG2 LYS 66 -12.440 -11.667 5.156 482 HG3 LYS 66 HG3 LYS 66 -13.781 -12.468 4.355 483 HD2 LYS 66 HD2 LYS 66 -10.964 -12.124 3.296 484 HD3 LYS 66 HD3 LYS 66 -11.790 -13.615 3.752 485 HE2 LYS 66 HE2 LYS 66 -13.372 -13.355 1.874 486 HE3 LYS 66 HE3 LYS 66 -12.573 -11.856 1.387 487 HZ1 LYS 66 HZ1 LYS 66 -11.306 -14.527 1.436 488 HZ2 LYS 66 HZ2 LYS 66 -10.568 -13.128 0.940 489 HZ3 LYS 66 HZ3 LYS 66 -11.826 -13.746 0.104 490 H ARG 67 H ARG 67 -11.232 -9.675 1.190 491 HA ARG 67 HA ARG 67 -11.932 -7.129 0.086 492 HB2 ARG 67 HB2 ARG 67 -10.321 -9.501 -0.623 493 HB3 ARG 67 HB3 ARG 67 -11.204 -8.895 -2.014 494 HG2 ARG 67 HG2 ARG 67 -9.271 -7.361 -0.271 495 HG3 ARG 67 HG3 ARG 67 -9.073 -8.079 -1.866 496 HD2 ARG 67 HD2 ARG 67 -10.799 -5.679 -1.175 497 HD3 ARG 67 HD3 ARG 67 -9.307 -5.667 -2.111 498 HE ARG 67 HE ARG 67 -11.982 -6.375 -3.060 499 HH11 ARG 67 HH11 ARG 67 -8.503 -6.808 -3.673 500 HH12 ARG 67 HH12 ARG 67 -8.751 -7.301 -5.284 501 HH21 ARG 67 HH21 ARG 67 -12.274 -6.887 -5.242 502 HH22 ARG 67 HH22 ARG 67 -10.921 -6.920 -6.321 503 H TRP 68 H TRP 68 -13.578 -6.511 -1.079 504 HA TRP 68 HA TRP 68 -15.852 -8.280 -1.529 505 HB2 TRP 68 HB2 TRP 68 -15.104 -5.381 -2.110 506 HB3 TRP 68 HB3 TRP 68 -16.494 -6.112 -2.879 507 HD1 TRP 68 HD1 TRP 68 -15.314 -5.779 0.860 508 HE1 TRP 68 HE1 TRP 68 -17.385 -5.334 2.266 509 HE3 TRP 68 HE3 TRP 68 -18.869 -6.227 -2.789 510 HZ2 TRP 68 HZ2 TRP 68 -20.234 -5.476 1.918 511 HZ3 TRP 68 HZ3 TRP 68 -21.264 -6.135 -2.215 512 HH2 TRP 68 HH2 TRP 68 -21.982 -5.805 0.128 513 H SER 69 H SER 69 -16.443 -9.178 -3.491 514 HA SER 69 HA SER 69 -14.408 -9.268 -5.634 515 HB2 SER 69 HB2 SER 69 -15.415 -11.365 -4.784 516 HB3 SER 69 HB3 SER 69 -17.036 -10.758 -5.175 517 HG SER 69 HG SER 69 -16.142 -12.173 -6.742 518 H GLU 70 H GLU 70 -15.074 -8.839 -7.833 519 HA GLU 70 HA GLU 70 -16.364 -6.402 -8.395 520 HB2 GLU 70 HB2 GLU 70 -15.883 -8.845 -10.059 521 HB3 GLU 70 HB3 GLU 70 -16.506 -7.328 -10.735 522 HG2 GLU 70 HG2 GLU 70 -13.959 -7.327 -9.070 523 HG3 GLU 70 HG3 GLU 70 -13.987 -7.863 -10.735 524 H GLU 71 H GLU 71 -17.515 -9.744 -8.522 525 HA GLU 71 HA GLU 71 -20.061 -9.481 -9.626 526 HB2 GLU 71 HB2 GLU 71 -18.953 -11.437 -7.568 527 HB3 GLU 71 HB3 GLU 71 -20.429 -11.698 -8.524 528 HG2 GLU 71 HG2 GLU 71 -19.178 -11.752 -10.586 529 HG3 GLU 71 HG3 GLU 71 -17.705 -11.198 -9.797 530 H GLU 72 H GLU 72 -19.007 -9.363 -6.219 531 HA GLU 72 HA GLU 72 -21.651 -9.060 -5.105 532 HB2 GLU 72 HB2 GLU 72 -18.881 -8.501 -3.997 533 HB3 GLU 72 HB3 GLU 72 -20.359 -8.490 -3.027 534 HG2 GLU 72 HG2 GLU 72 -20.747 -10.792 -3.238 535 HG3 GLU 72 HG3 GLU 72 -19.734 -10.965 -4.665 536 H LEU 73 H LEU 73 -19.074 -6.870 -6.151 537 HA LEU 73 HA LEU 73 -20.218 -4.463 -5.052 538 HB2 LEU 73 HB2 LEU 73 -18.296 -4.904 -7.383 539 HB3 LEU 73 HB3 LEU 73 -18.763 -3.327 -6.801 540 HG LEU 73 HG LEU 73 -17.207 -5.392 -5.205 541 HD11 LEU 73 HD11 LEU 73 -15.381 -3.795 -5.433 542 HD12 LEU 73 HD12 LEU 73 -16.419 -2.676 -6.341 543 HD13 LEU 73 HD13 LEU 73 -15.976 -4.245 -7.043 544 HD21 LEU 73 HD21 LEU 73 -18.604 -4.134 -3.673 545 HD22 LEU 73 HD22 LEU 73 -18.133 -2.607 -4.465 546 HD23 LEU 73 HD23 LEU 73 -16.938 -3.572 -3.546 547 H LYS 74 H LYS 74 -20.586 -6.124 -8.205 548 HA LYS 74 HA LYS 74 -22.298 -3.953 -9.193 549 HB2 LYS 74 HB2 LYS 74 -22.154 -5.015 -11.342 550 HB3 LYS 74 HB3 LYS 74 -20.573 -4.823 -10.613 551 HG2 LYS 74 HG2 LYS 74 -20.169 -6.959 -11.159 552 HG3 LYS 74 HG3 LYS 74 -21.200 -7.370 -9.805 553 HD2 LYS 74 HD2 LYS 74 -22.231 -8.633 -11.296 554 HD3 LYS 74 HD3 LYS 74 -23.136 -7.172 -11.674 555 HE2 LYS 74 HE2 LYS 74 -20.621 -8.186 -13.100 556 HE3 LYS 74 HE3 LYS 74 -22.264 -8.444 -13.682 557 HZ1 LYS 74 HZ1 LYS 74 -21.095 -5.738 -13.361 558 HZ2 LYS 74 HZ2 LYS 74 -22.478 -6.165 -14.195 559 HZ3 LYS 74 HZ3 LYS 74 -21.007 -6.609 -14.729 560 H GLU 75 H GLU 75 -23.099 -6.081 -6.991 561 HA GLU 75 HA GLU 75 -25.236 -7.565 -8.033 562 HB2 GLU 75 HB2 GLU 75 -24.751 -6.317 -5.357 563 HB3 GLU 75 HB3 GLU 75 -26.154 -7.315 -5.614 564 HG2 GLU 75 HG2 GLU 75 -23.489 -8.425 -6.422 565 HG3 GLU 75 HG3 GLU 75 -23.858 -8.357 -4.739 566 HA PRO 76 HA PRO 76 -28.314 -4.487 -8.807 567 HB2 PRO 76 HB2 PRO 76 -30.597 -5.972 -7.833 568 HB3 PRO 76 HB3 PRO 76 -30.029 -5.806 -9.516 569 HG2 PRO 76 HG2 PRO 76 -29.885 -8.152 -7.844 570 HG3 PRO 76 HG3 PRO 76 -29.251 -7.946 -9.503 571 HD2 PRO 76 HD2 PRO 76 -27.801 -7.967 -6.959 572 HD3 PRO 76 HD3 PRO 76 -27.129 -8.043 -8.578 573 H TYR 77 H TYR 77 -29.500 -2.842 -7.647 574 HA TYR 77 HA TYR 77 -28.756 -2.493 -4.924 575 HB2 TYR 77 HB2 TYR 77 -31.198 -1.117 -6.043 576 HB3 TYR 77 HB3 TYR 77 -29.973 -0.492 -4.958 577 HD1 TYR 77 HD2 TYR 77 -27.650 0.085 -5.941 578 HD2 TYR 77 HD1 TYR 77 -31.064 -0.894 -8.389 579 HE1 TYR 77 HE2 TYR 77 -26.524 1.083 -7.894 580 HE2 TYR 77 HE1 TYR 77 -29.965 0.076 -10.336 581 HH TYR 77 HH TYR 77 -26.953 1.949 -10.111 582 H ILE 78 H ILE 78 -31.586 -3.902 -6.409 583 HA ILE 78 HA ILE 78 -33.030 -4.090 -3.826 584 HB ILE 78 HB ILE 78 -34.864 -5.056 -5.135 585 HG12 ILE 78 HG12 ILE 78 -33.154 -4.577 -7.624 586 HG13 ILE 78 HG13 ILE 78 -33.511 -6.161 -6.933 587 HG21 ILE 78 HG21 ILE 78 -33.839 -2.465 -6.377 588 HG22 ILE 78 HG22 ILE 78 -35.528 -2.984 -6.202 589 HG23 ILE 78 HG23 ILE 78 -34.580 -2.590 -4.769 590 HD11 ILE 78 HD11 ILE 78 -34.991 -5.794 -8.784 591 HD12 ILE 78 HD12 ILE 78 -35.948 -5.760 -7.291 592 HD13 ILE 78 HD13 ILE 78 -35.541 -4.242 -8.133 593 H SER 79 H SER 79 -33.634 -6.002 -2.800 594 HA SER 79 HA SER 79 -33.141 -8.631 -3.578 595 HB2 SER 79 HB2 SER 79 -31.347 -9.181 -1.940 596 HB3 SER 79 HB3 SER 79 -30.776 -8.156 -3.247 597 HG SER 79 HG SER 79 -29.956 -7.233 -1.546 598 H ASN 80 H ASN 80 -33.209 -9.888 -1.199 599 HA ASN 80 HA ASN 80 -35.070 -8.481 0.634 600 HB2 ASN 80 HB2 ASN 80 -36.250 -9.934 -1.174 601 HB3 ASN 80 HB3 ASN 80 -35.552 -11.325 -0.347 602 HD21 ASN 80 HD21 ASN 80 -36.036 -11.232 2.191 603 HD22 ASN 80 HD22 ASN 80 -37.721 -10.835 2.572 604 H ASN 81 H ASN 81 -32.170 -9.064 0.588 605 HA ASN 81 HA ASN 81 -31.939 -11.045 2.810 606 HB2 ASN 81 HB2 ASN 81 -29.938 -10.404 0.626 607 HB3 ASN 81 HB3 ASN 81 -29.799 -11.596 1.917 608 HD21 ASN 81 HD21 ASN 81 -29.824 -13.560 1.019 609 HD22 ASN 81 HD22 ASN 81 -30.927 -14.094 -0.229 610 HA PRO 82 HA PRO 82 -30.356 -6.824 4.119 611 HB2 PRO 82 HB2 PRO 82 -31.545 -6.695 6.607 612 HB3 PRO 82 HB3 PRO 82 -32.323 -6.167 5.086 613 HG2 PRO 82 HG2 PRO 82 -32.608 -8.840 6.494 614 HG3 PRO 82 HG3 PRO 82 -33.909 -7.776 5.870 615 HD2 PRO 82 HD2 PRO 82 -33.008 -9.890 4.423 616 HD3 PRO 82 HD3 PRO 82 -33.404 -8.344 3.613 617 H ASP 83 H ASP 83 -30.016 -10.034 5.339 618 HA ASP 83 HA ASP 83 -27.905 -9.221 7.276 619 HB2 ASP 83 HB2 ASP 83 -29.864 -10.801 7.818 620 HB3 ASP 83 HB3 ASP 83 -29.025 -12.005 6.851 621 H GLU 84 H GLU 84 -28.325 -10.600 4.120 622 HA GLU 84 HA GLU 84 -25.781 -12.069 4.116 623 HB2 GLU 84 HB2 GLU 84 -27.705 -11.272 1.907 624 HB3 GLU 84 HB3 GLU 84 -26.243 -12.182 1.598 625 HG2 GLU 84 HG2 GLU 84 -28.305 -13.204 3.597 626 HG3 GLU 84 HG3 GLU 84 -28.417 -13.509 1.872 627 H ILE 85 H ILE 85 -26.814 -8.827 3.618 628 HA ILE 85 HA ILE 85 -24.550 -8.029 1.928 629 HB ILE 85 HB ILE 85 -25.498 -5.734 2.298 630 HG12 ILE 85 HG12 ILE 85 -27.864 -7.147 3.600 631 HG13 ILE 85 HG13 ILE 85 -26.608 -6.337 4.527 632 HG21 ILE 85 HG21 ILE 85 -27.414 -6.111 0.799 633 HG22 ILE 85 HG22 ILE 85 -26.088 -7.192 0.358 634 HG23 ILE 85 HG23 ILE 85 -27.478 -7.823 1.257 635 HD11 ILE 85 HD11 ILE 85 -28.430 -4.976 2.497 636 HD12 ILE 85 HD12 ILE 85 -28.577 -4.906 4.258 637 HD13 ILE 85 HD13 ILE 85 -27.164 -4.187 3.475 638 H ARG 86 H ARG 86 -23.035 -6.339 2.703 639 HA ARG 86 HA ARG 86 -22.583 -6.287 5.613 640 HB2 ARG 86 HB2 ARG 86 -21.241 -8.120 3.898 641 HB3 ARG 86 HB3 ARG 86 -20.117 -6.782 4.002 642 HG2 ARG 86 HG2 ARG 86 -19.588 -8.379 5.700 643 HG3 ARG 86 HG3 ARG 86 -20.234 -6.949 6.523 644 HD2 ARG 86 HD2 ARG 86 -22.399 -8.040 6.832 645 HD3 ARG 86 HD3 ARG 86 -21.924 -9.371 5.750 646 HE ARG 86 HE ARG 86 -20.030 -9.218 7.812 647 HH11 ARG 86 HH11 ARG 86 -23.414 -10.194 7.273 648 HH12 ARG 86 HH12 ARG 86 -23.405 -11.437 8.477 649 HH21 ARG 86 HH21 ARG 86 -20.037 -10.781 9.477 650 HH22 ARG 86 HH22 ARG 86 -21.361 -11.909 9.586 651 H GLU 87 H GLU 87 -20.717 -4.762 6.119 652 HA GLU 87 HA GLU 87 -21.202 -2.322 4.757 653 HB2 GLU 87 HB2 GLU 87 -19.510 -1.308 6.114 654 HB3 GLU 87 HB3 GLU 87 -20.607 -2.304 7.087 655 HG2 GLU 87 HG2 GLU 87 -18.958 -4.088 7.106 656 HG3 GLU 87 HG3 GLU 87 -17.819 -3.107 6.174 657 H LYS 88 H LYS 88 -19.563 -1.051 3.610 658 HA LYS 88 HA LYS 88 -17.485 -2.608 2.172 659 HB2 LYS 88 HB2 LYS 88 -19.508 -2.788 0.890 660 HB3 LYS 88 HB3 LYS 88 -19.791 -1.032 0.953 661 HG2 LYS 88 HG2 LYS 88 -17.754 -0.675 -0.373 662 HG3 LYS 88 HG3 LYS 88 -17.438 -2.430 -0.349 663 HD2 LYS 88 HD2 LYS 88 -18.361 -1.743 -2.444 664 HD3 LYS 88 HD3 LYS 88 -19.460 -2.859 -1.609 665 HE2 LYS 88 HE2 LYS 88 -20.082 -0.038 -1.034 666 HE3 LYS 88 HE3 LYS 88 -20.017 -0.327 -2.772 667 HZ1 LYS 88 HZ1 LYS 88 -21.624 -2.122 -2.491 668 HZ2 LYS 88 HZ2 LYS 88 -22.210 -0.700 -1.970 669 HZ3 LYS 88 HZ3 LYS 88 -21.713 -1.830 -0.878 670 H LYS 89 H LYS 89 -15.816 -1.513 3.086 671 HA LYS 89 HA LYS 89 -15.795 1.355 3.504 672 HB2 LYS 89 HB2 LYS 89 -13.604 -0.708 3.956 673 HB3 LYS 89 HB3 LYS 89 -13.697 0.933 4.601 674 HG2 LYS 89 HG2 LYS 89 -15.640 0.284 5.992 675 HG3 LYS 89 HG3 LYS 89 -15.600 -1.351 5.292 676 HD2 LYS 89 HD2 LYS 89 -13.215 -1.575 6.113 677 HD3 LYS 89 HD3 LYS 89 -13.457 -0.047 7.007 678 HE2 LYS 89 HE2 LYS 89 -15.505 -1.110 8.017 679 HE3 LYS 89 HE3 LYS 89 -15.044 -2.632 7.226 680 HZ1 LYS 89 HZ1 LYS 89 -14.383 -2.367 9.584 681 HZ2 LYS 89 HZ2 LYS 89 -13.386 -1.147 9.181 682 HZ3 LYS 89 HZ3 LYS 89 -13.074 -2.673 8.592 683 HA PRO 90 HA PRO 90 -13.752 1.483 -0.579 684 HB2 PRO 90 HB2 PRO 90 -13.846 4.187 -1.009 685 HB3 PRO 90 HB3 PRO 90 -15.251 3.134 -1.247 686 HG2 PRO 90 HG2 PRO 90 -14.550 4.839 1.135 687 HG3 PRO 90 HG3 PRO 90 -16.158 4.633 0.370 688 HD2 PRO 90 HD2 PRO 90 -15.419 3.256 2.665 689 HD3 PRO 90 HD3 PRO 90 -16.527 2.610 1.430 690 H LEU 91 H LEU 91 -11.628 1.373 -0.813 691 HA LEU 91 HA LEU 91 -9.728 3.009 0.808 692 HB2 LEU 91 HB2 LEU 91 -9.192 0.462 -0.796 693 HB3 LEU 91 HB3 LEU 91 -8.160 1.201 0.412 694 HG LEU 91 HG LEU 91 -10.813 -0.216 0.945 695 HD11 LEU 91 HD11 LEU 91 -9.384 -1.984 1.923 696 HD12 LEU 91 HD12 LEU 91 -7.936 -1.111 1.382 697 HD13 LEU 91 HD13 LEU 91 -9.086 -1.757 0.193 698 HD21 LEU 91 HD21 LEU 91 -10.309 1.532 2.661 699 HD22 LEU 91 HD22 LEU 91 -8.726 0.762 2.938 700 HD23 LEU 91 HD23 LEU 91 -10.222 -0.106 3.313 701 H ARG 92 H ARG 92 -9.025 4.751 -0.448 702 HA ARG 92 HA ARG 92 -8.781 4.319 -3.399 703 HB2 ARG 92 HB2 ARG 92 -9.335 7.058 -2.286 704 HB3 ARG 92 HB3 ARG 92 -9.487 6.445 -3.913 705 HG2 ARG 92 HG2 ARG 92 -11.671 6.477 -3.462 706 HG3 ARG 92 HG3 ARG 92 -11.381 4.891 -2.739 707 HD2 ARG 92 HD2 ARG 92 -11.371 5.759 -0.528 708 HD3 ARG 92 HD3 ARG 92 -11.081 7.394 -1.094 709 HE ARG 92 HE ARG 92 -13.558 6.311 -0.471 710 HH11 ARG 92 HH11 ARG 92 -12.157 8.562 -2.819 711 HH12 ARG 92 HH12 ARG 92 -13.687 9.181 -3.346 712 HH21 ARG 92 HH21 ARG 92 -15.576 7.275 -1.022 713 HH22 ARG 92 HH22 ARG 92 -15.691 8.230 -2.445 714 H TYR 93 H TYR 93 -6.751 4.413 -4.016 715 HA TYR 93 HA TYR 93 -4.738 5.637 -2.237 716 HB2 TYR 93 HB2 TYR 93 -4.453 3.771 -4.583 717 HB3 TYR 93 HB3 TYR 93 -3.172 4.352 -3.507 718 HD1 TYR 93 HD2 TYR 93 -6.271 2.232 -3.641 719 HD2 TYR 93 HD1 TYR 93 -2.712 3.231 -1.421 720 HE1 TYR 93 HE2 TYR 93 -6.845 0.510 -1.968 721 HE2 TYR 93 HE1 TYR 93 -3.206 1.428 0.170 722 HH TYR 93 HH TYR 93 -5.120 0.111 1.066 723 H GLY 94 H GLY 94 -3.201 7.121 -2.912 724 HA2 GLY 94 HA2 GLY 94 -3.792 9.004 -4.904 725 HA3 GLY 94 HA3 GLY 94 -3.034 9.025 -3.332 726 H LYS 95 H LYS 95 -1.852 10.294 -5.409 727 HA LYS 95 HA LYS 95 -0.027 8.632 -6.899 728 HB2 LYS 95 HB2 LYS 95 -0.944 10.786 -7.643 729 HB3 LYS 95 HB3 LYS 95 -0.086 11.617 -6.335 730 HG2 LYS 95 HG2 LYS 95 2.053 11.165 -7.365 731 HG3 LYS 95 HG3 LYS 95 1.316 9.988 -8.484 732 HD2 LYS 95 HD2 LYS 95 1.833 12.119 -9.588 733 HD3 LYS 95 HD3 LYS 95 0.106 11.766 -9.612 734 HE2 LYS 95 HE2 LYS 95 -0.285 13.349 -7.766 735 HE3 LYS 95 HE3 LYS 95 1.453 13.684 -7.662 736 HZ1 LYS 95 HZ1 LYS 95 1.320 14.522 -9.968 737 HZ2 LYS 95 HZ2 LYS 95 0.313 15.367 -8.964 738 HZ3 LYS 95 HZ3 LYS 95 -0.284 14.247 -9.995 739 H VAL 96 H VAL 96 2.561 9.142 -6.582 740 HA VAL 96 HA VAL 96 3.129 9.232 -3.677 741 HB VAL 96 HB VAL 96 4.352 7.410 -5.766 742 HG11 VAL 96 HG11 VAL 96 5.580 6.345 -3.973 743 HG12 VAL 96 HG12 VAL 96 6.028 8.042 -3.980 744 HG13 VAL 96 HG13 VAL 96 4.872 7.441 -2.763 745 HG21 VAL 96 HG21 VAL 96 3.343 5.576 -4.434 746 HG22 VAL 96 HG22 VAL 96 2.577 6.752 -3.356 747 HG23 VAL 96 HG23 VAL 96 2.089 6.649 -5.065 748 H TYR 97 H TYR 97 4.967 10.201 -2.982 749 HA TYR 97 HA TYR 97 6.564 11.814 -4.888 750 HB2 TYR 97 HB2 TYR 97 5.808 12.709 -2.089 751 HB3 TYR 97 HB3 TYR 97 6.365 13.669 -3.422 752 HD1 TYR 97 HD2 TYR 97 3.402 11.896 -1.977 753 HD2 TYR 97 HD1 TYR 97 4.816 14.557 -5.054 754 HE1 TYR 97 HE2 TYR 97 1.076 12.291 -2.641 755 HE2 TYR 97 HE1 TYR 97 2.462 15.017 -5.726 756 HH TYR 97 HH TYR 97 -0.340 13.394 -4.179 757 H SER 98 H SER 98 8.622 12.669 -3.530 758 HA SER 98 HA SER 98 9.759 10.300 -2.128 759 HB2 SER 98 HB2 SER 98 11.555 10.519 -3.332 760 HB3 SER 98 HB3 SER 98 10.616 11.544 -4.395 761 HG SER 98 HG SER 98 12.647 12.420 -3.771 762 H THR 99 H THR 99 11.783 11.299 -0.546 763 HA THR 99 HA THR 99 10.485 13.315 1.236 764 HB THR 99 HB THR 99 11.718 12.036 3.019 765 HG1 THR 99 HG1 THR 99 12.589 10.263 2.501 766 HG21 THR 99 HG21 THR 99 9.267 12.024 2.895 767 HG22 THR 99 HG22 THR 99 9.970 10.518 3.499 768 HG23 THR 99 HG23 THR 99 9.356 10.593 1.818 769 H ASN 100 H ASN 100 11.864 14.565 -0.300 770 HA ASN 100 HA ASN 100 13.679 15.898 -0.755 771 HB2 ASN 100 HB2 ASN 100 13.027 16.763 1.485 772 HB3 ASN 100 HB3 ASN 100 14.256 15.712 2.214 773 HD21 ASN 100 HD21 ASN 100 16.323 16.653 2.399 774 HD22 ASN 100 HD22 ASN 100 16.874 17.972 1.430 775 H GLU 101 H GLU 101 14.142 13.368 -1.526 776 HA GLU 101 HA GLU 101 16.995 13.119 -1.254 777 HB2 GLU 101 HB2 GLU 101 16.817 10.629 -1.296 778 HB3 GLU 101 HB3 GLU 101 16.874 11.523 0.223 779 HG2 GLU 101 HG2 GLU 101 14.638 11.295 0.654 780 HG3 GLU 101 HG3 GLU 101 14.228 10.873 -1.010 781 H ASP 102 H ASP 102 17.213 13.824 -3.112 782 HA ASP 102 HA ASP 102 15.758 12.901 -5.561 783 HB2 ASP 102 HB2 ASP 102 17.443 15.342 -4.895 784 HB3 ASP 102 HB3 ASP 102 17.062 14.905 -6.553 785 H SER 103 H SER 103 17.501 11.076 -4.255 786 HA SER 103 HA SER 103 19.776 10.769 -6.129 787 HB2 SER 103 HB2 SER 103 19.737 10.222 -3.133 788 HB3 SER 103 HB3 SER 103 21.099 9.925 -4.232 789 HG SER 103 HG SER 103 21.203 12.128 -4.658 790 H ASP 104 H ASP 104 20.622 8.246 -5.481 791 HA ASP 104 HA ASP 104 18.486 6.594 -6.497 792 HB2 ASP 104 HB2 ASP 104 20.217 4.881 -6.670 793 HB3 ASP 104 HB3 ASP 104 20.853 6.411 -7.274 794 H ALA 105 H ALA 105 19.334 7.448 -3.365 795 HA ALA 105 HA ALA 105 19.319 5.195 -1.787 796 HB1 ALA 105 HB1 ALA 105 18.397 6.653 -0.034 797 HB2 ALA 105 HB2 ALA 105 19.638 7.503 -0.972 798 HB3 ALA 105 HB3 ALA 105 17.924 7.861 -1.245 799 H LYS 106 H LYS 106 16.376 7.082 -2.564 800 HA LYS 106 HA LYS 106 14.182 6.620 -2.390 801 HB2 LYS 106 HB2 LYS 106 15.064 5.869 -4.664 802 HB3 LYS 106 HB3 LYS 106 14.921 4.221 -4.072 803 HG2 LYS 106 HG2 LYS 106 12.430 5.662 -3.551 804 HG3 LYS 106 HG3 LYS 106 12.911 5.958 -5.219 805 HD2 LYS 106 HD2 LYS 106 12.603 3.225 -3.932 806 HD3 LYS 106 HD3 LYS 106 11.412 4.000 -4.978 807 HE2 LYS 106 HE2 LYS 106 12.869 3.926 -6.889 808 HE3 LYS 106 HE3 LYS 106 14.264 3.463 -5.912 809 HZ1 LYS 106 HZ1 LYS 106 13.404 1.336 -5.599 810 HZ2 LYS 106 HZ2 LYS 106 13.146 1.662 -7.195 811 HZ3 LYS 106 HZ3 LYS 106 11.901 1.734 -6.152 812 H ASP 107 H ASP 107 15.161 5.953 0.025 813 HA ASP 107 HA ASP 107 14.111 3.228 0.566 814 HB2 ASP 107 HB2 ASP 107 15.197 3.166 2.641 815 HB3 ASP 107 HB3 ASP 107 16.332 3.452 1.341 816 H GLU 108 H GLU 108 13.247 6.579 0.815 817 HA GLU 108 HA GLU 108 10.796 5.695 2.254 818 HB2 GLU 108 HB2 GLU 108 12.799 7.774 2.972 819 HB3 GLU 108 HB3 GLU 108 11.072 8.148 3.246 820 HG2 GLU 108 HG2 GLU 108 10.800 6.229 4.722 821 HG3 GLU 108 HG3 GLU 108 12.484 5.742 4.383 822 H ILE 109 H ILE 109 8.967 6.633 1.459 823 HA ILE 109 HA ILE 109 9.066 8.749 -0.568 824 HB ILE 109 HB ILE 109 7.740 7.370 -2.151 825 HG12 ILE 109 HG12 ILE 109 8.154 4.756 -1.753 826 HG13 ILE 109 HG13 ILE 109 8.131 5.222 -0.060 827 HG21 ILE 109 HG21 ILE 109 9.567 6.085 -3.094 828 HG22 ILE 109 HG22 ILE 109 10.157 7.636 -2.445 829 HG23 ILE 109 HG23 ILE 109 10.441 6.109 -1.564 830 HD11 ILE 109 HD11 ILE 109 5.940 5.248 -2.086 831 HD12 ILE 109 HD12 ILE 109 5.926 4.883 -0.347 832 HD13 ILE 109 HD13 ILE 109 5.893 6.548 -0.910 833 H ILE 110 H ILE 110 6.962 9.717 -0.836 834 HA ILE 110 HA ILE 110 5.205 9.239 1.485 835 HB ILE 110 HB ILE 110 5.220 11.616 -0.367 836 HG12 ILE 110 HG12 ILE 110 6.771 11.129 2.205 837 HG13 ILE 110 HG13 ILE 110 7.457 11.377 0.605 838 HG21 ILE 110 HG21 ILE 110 4.000 12.720 1.388 839 HG22 ILE 110 HG22 ILE 110 3.175 11.196 1.069 840 HG23 ILE 110 HG23 ILE 110 4.220 11.345 2.494 841 HD11 ILE 110 HD11 ILE 110 6.528 13.686 0.570 842 HD12 ILE 110 HD12 ILE 110 6.089 13.444 2.290 843 HD13 ILE 110 HD13 ILE 110 7.777 13.368 1.792 844 H VAL 111 H VAL 111 3.613 8.006 1.184 845 HA VAL 111 HA VAL 111 2.272 7.456 -1.406 846 HB VAL 111 HB VAL 111 2.141 6.400 1.412 847 HG11 VAL 111 HG11 VAL 111 0.478 5.253 -0.860 848 HG12 VAL 111 HG12 VAL 111 0.668 4.546 0.763 849 HG13 VAL 111 HG13 VAL 111 -0.161 6.060 0.578 850 HG21 VAL 111 HG21 VAL 111 3.153 4.398 0.628 851 HG22 VAL 111 HG22 VAL 111 3.189 5.035 -1.049 852 HG23 VAL 111 HG23 VAL 111 4.105 5.803 0.284 853 H GLU 112 H GLU 112 0.357 8.535 -1.999 854 HA GLU 112 HA GLU 112 -1.084 9.963 0.148 855 HB2 GLU 112 HB2 GLU 112 -0.785 11.147 -1.904 856 HB3 GLU 112 HB3 GLU 112 -1.367 9.871 -2.814 857 HG2 GLU 112 HG2 GLU 112 -3.651 10.207 -1.528 858 HG3 GLU 112 HG3 GLU 112 -2.997 11.689 -0.931 859 H PHE 113 H PHE 113 -3.154 9.323 0.830 860 HA PHE 113 HA PHE 113 -4.638 7.176 -0.489 861 HB2 PHE 113 HB2 PHE 113 -2.975 6.004 0.968 862 HB3 PHE 113 HB3 PHE 113 -3.513 6.974 2.333 863 HD1 PHE 113 HD2 PHE 113 -5.156 4.815 -0.327 864 HD2 PHE 113 HD1 PHE 113 -4.786 5.764 3.866 865 HE1 PHE 113 HE2 PHE 113 -6.737 3.076 0.167 866 HE2 PHE 113 HE1 PHE 113 -6.448 4.042 4.374 867 HZ PHE 113 HZ PHE 113 -7.460 2.659 2.555 868 H ASN 114 H ASN 114 -6.896 7.421 0.127 869 HA ASN 114 HA ASN 114 -8.710 8.628 0.818 870 HB2 ASN 114 HB2 ASN 114 -7.037 8.473 3.356 871 HB3 ASN 114 HB3 ASN 114 -8.643 9.087 3.390 872 HD21 ASN 114 HD21 ASN 114 -10.015 7.213 1.623 873 HD22 ASN 114 HD22 ASN 114 -9.974 5.702 2.524 874 H ARG 115 H ARG 115 -6.700 10.286 -0.479 875 HA ARG 115 HA ARG 115 -6.364 12.424 -1.034 876 HB2 ARG 115 HB2 ARG 115 -8.419 13.389 0.955 877 HB3 ARG 115 HB3 ARG 115 -7.843 14.174 -0.495 878 HG2 ARG 115 HG2 ARG 115 -9.635 13.433 -1.554 879 HG3 ARG 115 HG3 ARG 115 -8.929 11.817 -1.516 880 HD2 ARG 115 HD2 ARG 115 -11.182 11.711 -0.646 881 HD3 ARG 115 HD3 ARG 115 -10.057 11.440 0.697 882 HE ARG 115 HE ARG 115 -11.112 14.185 0.143 883 HH11 ARG 115 HH11 ARG 115 -11.396 11.399 2.357 884 HH12 ARG 115 HH12 ARG 115 -12.039 12.340 3.633 885 HH21 ARG 115 HH21 ARG 115 -11.794 15.428 1.873 886 HH22 ARG 115 HH22 ARG 115 -12.277 14.695 3.348 887 H GLU 116 H GLU 116 -5.037 11.181 1.578 888 HA GLU 116 HA GLU 116 -3.897 13.714 2.584 889 HB2 GLU 116 HB2 GLU 116 -4.670 11.127 3.990 890 HB3 GLU 116 HB3 GLU 116 -3.574 12.328 4.695 891 HG2 GLU 116 HG2 GLU 116 -5.307 14.022 4.650 892 HG3 GLU 116 HG3 GLU 116 -6.422 12.950 3.789 893 H TYR 117 H TYR 117 -1.641 13.596 2.879 894 HA TYR 117 HA TYR 117 -0.291 11.478 1.285 895 HB2 TYR 117 HB2 TYR 117 0.674 14.172 2.277 896 HB3 TYR 117 HB3 TYR 117 1.623 13.027 1.348 897 HD1 TYR 117 HD1 TYR 117 -1.721 13.025 -0.027 898 HD2 TYR 117 HD2 TYR 117 1.924 15.307 0.090 899 HE1 TYR 117 HE1 TYR 117 -2.497 14.312 -1.961 900 HE2 TYR 117 HE2 TYR 117 1.203 16.507 -1.954 901 HH TYR 117 HH TYR 117 -2.000 16.761 -2.801 902 H TYR 118 H TYR 118 0.850 9.888 2.301 903 HA TYR 118 HA TYR 118 1.492 10.197 5.194 904 HB2 TYR 118 HB2 TYR 118 0.661 7.728 3.634 905 HB3 TYR 118 HB3 TYR 118 1.235 7.736 5.295 906 HD1 TYR 118 HD2 TYR 118 -0.096 8.661 7.130 907 HD2 TYR 118 HD1 TYR 118 -1.603 8.590 3.082 908 HE1 TYR 118 HE2 TYR 118 -2.379 9.098 7.975 909 HE2 TYR 118 HE1 TYR 118 -3.880 9.009 3.919 910 HH TYR 118 HH TYR 118 -5.257 8.891 5.999 911 H ARG 119 H ARG 119 3.495 9.860 5.809 912 HA ARG 119 HA ARG 119 5.608 9.530 3.864 913 HB2 ARG 119 HB2 ARG 119 5.585 10.945 6.037 914 HB3 ARG 119 HB3 ARG 119 5.816 9.444 6.936 915 HG2 ARG 119 HG2 ARG 119 7.512 10.152 4.575 916 HG3 ARG 119 HG3 ARG 119 7.863 10.969 6.099 917 HD2 ARG 119 HD2 ARG 119 7.716 7.929 6.106 918 HD3 ARG 119 HD3 ARG 119 9.177 8.734 5.529 919 HE ARG 119 HE ARG 119 8.570 9.928 7.976 920 HH11 ARG 119 HH11 ARG 119 9.714 6.794 6.753 921 HH12 ARG 119 HH12 ARG 119 10.938 6.680 7.976 922 HH21 ARG 119 HH21 ARG 119 10.172 9.725 9.515 923 HH22 ARG 119 HH22 ARG 119 11.219 8.310 9.500 924 H ALA 120 H ALA 120 6.488 7.591 3.217 925 HA ALA 120 HA ALA 120 5.899 5.222 4.924 926 HB1 ALA 120 HB1 ALA 120 5.316 3.901 3.094 927 HB2 ALA 120 HB2 ALA 120 4.471 5.439 2.817 928 HB3 ALA 120 HB3 ALA 120 5.958 5.076 1.920 929 H VAL 121 H VAL 121 7.502 3.456 4.779 930 HA VAL 121 HA VAL 121 10.143 4.250 3.629 931 HB VAL 121 HB VAL 121 10.047 4.742 5.964 932 HG11 VAL 121 HG11 VAL 121 8.327 3.607 6.740 933 HG12 VAL 121 HG12 VAL 121 9.153 2.012 6.598 934 HG13 VAL 121 HG13 VAL 121 9.739 3.265 7.730 935 HG21 VAL 121 HG21 VAL 121 11.720 2.228 5.823 936 HG22 VAL 121 HG22 VAL 121 12.196 3.740 5.015 937 HG23 VAL 121 HG23 VAL 121 12.006 3.704 6.770 938 H LEU 122 H LEU 122 11.406 2.620 2.814 939 HA LEU 122 HA LEU 122 10.196 0.324 1.746 940 HB2 LEU 122 HB2 LEU 122 12.101 1.739 0.866 941 HB3 LEU 122 HB3 LEU 122 13.153 0.988 2.065 942 HG LEU 122 HG LEU 122 12.715 -1.209 1.020 943 HD11 LEU 122 HD11 LEU 122 10.520 -0.952 -0.005 944 HD12 LEU 122 HD12 LEU 122 11.685 -1.227 -1.306 945 HD13 LEU 122 HD13 LEU 122 11.104 0.407 -0.989 946 HD21 LEU 122 HD21 LEU 122 13.595 0.960 -0.947 947 HD22 LEU 122 HD22 LEU 122 14.002 -0.761 -1.086 948 HD23 LEU 122 HD23 LEU 122 14.644 0.214 0.254 949 H ILE 123 H ILE 123 9.853 -1.661 2.615 950 HA ILE 123 HA ILE 123 10.736 -2.194 5.383 951 HB ILE 123 HB ILE 123 8.793 -3.468 3.425 952 HG12 ILE 123 HG12 ILE 123 8.127 -2.278 6.113 953 HG13 ILE 123 HG13 ILE 123 8.419 -1.189 4.771 954 HG21 ILE 123 HG21 ILE 123 9.659 -5.302 4.877 955 HG22 ILE 123 HG22 ILE 123 9.288 -4.322 6.311 956 HG23 ILE 123 HG23 ILE 123 7.993 -4.915 5.248 957 HD11 ILE 123 HD11 ILE 123 6.469 -3.465 4.469 958 HD12 ILE 123 HD12 ILE 123 5.988 -1.892 5.124 959 HD13 ILE 123 HD13 ILE 123 6.666 -1.984 3.501 960 H LYS 124 H LYS 124 10.728 -3.732 2.198 961 HA LYS 124 HA LYS 124 12.099 -6.106 2.700 962 HB2 LYS 124 HB2 LYS 124 12.282 -6.107 0.262 963 HB3 LYS 124 HB3 LYS 124 10.697 -5.594 0.760 964 HG2 LYS 124 HG2 LYS 124 10.905 -3.688 -0.412 965 HG3 LYS 124 HG3 LYS 124 12.324 -3.224 0.513 966 HD2 LYS 124 HD2 LYS 124 12.322 -4.922 -1.969 967 HD3 LYS 124 HD3 LYS 124 12.798 -3.219 -1.867 968 HE2 LYS 124 HE2 LYS 124 14.650 -3.813 -0.341 969 HE3 LYS 124 HE3 LYS 124 14.224 -5.529 -0.513 970 HZ1 LYS 124 HZ1 LYS 124 15.152 -3.749 -2.664 971 HZ2 LYS 124 HZ2 LYS 124 14.560 -5.263 -2.918 972 HZ3 LYS 124 HZ3 LYS 124 15.944 -5.059 -2.071 973 H ASN 125 H ASN 125 13.418 -3.099 3.064 974 HA ASN 125 HA ASN 125 16.177 -3.584 2.134 975 HB2 ASN 125 HB2 ASN 125 14.869 -1.531 1.645 976 HB3 ASN 125 HB3 ASN 125 14.681 -1.216 3.367 977 HD21 ASN 125 HD21 ASN 125 15.973 0.449 3.977 978 HD22 ASN 125 HD22 ASN 125 17.503 0.840 3.252 979 H GLU 126 H GLU 126 14.178 -3.726 4.950 980 HA GLU 126 HA GLU 126 16.538 -3.906 6.726 981 HB2 GLU 126 HB2 GLU 126 15.245 -3.036 8.558 982 HB3 GLU 126 HB3 GLU 126 15.311 -1.846 7.251 983 HG2 GLU 126 HG2 GLU 126 13.005 -2.361 6.621 984 HG3 GLU 126 HG3 GLU 126 12.925 -3.672 7.806 985 H LYS 127 H LYS 127 13.838 -5.343 5.574 986 HA LYS 127 HA LYS 127 12.603 -7.262 6.004 987 HB2 LYS 127 HB2 LYS 127 15.466 -8.028 5.934 988 HB3 LYS 127 HB3 LYS 127 14.340 -9.260 6.525 989 HG2 LYS 127 HG2 LYS 127 12.949 -8.975 4.495 990 HG3 LYS 127 HG3 LYS 127 14.091 -7.777 3.884 991 HD2 LYS 127 HD2 LYS 127 14.512 -9.897 2.834 992 HD3 LYS 127 HD3 LYS 127 15.878 -9.490 3.880 993 HE2 LYS 127 HE2 LYS 127 15.330 -11.171 5.446 994 HE3 LYS 127 HE3 LYS 127 13.664 -11.306 4.858 995 HZ1 LYS 127 HZ1 LYS 127 16.017 -12.060 3.228 996 HZ2 LYS 127 HZ2 LYS 127 14.424 -12.298 2.873 997 HZ3 LYS 127 HZ3 LYS 127 15.110 -13.140 4.098 998 H GLU 128 H GLU 128 11.609 -6.244 7.770 999 HA GLU 128 HA GLU 128 12.221 -7.521 10.368 1000 HB2 GLU 128 HB2 GLU 128 12.726 -5.064 10.193 1001 HB3 GLU 128 HB3 GLU 128 11.003 -4.779 9.882 1002 HG2 GLU 128 HG2 GLU 128 10.418 -5.745 12.060 1003 HG3 GLU 128 HG3 GLU 128 12.099 -6.232 12.331 Start of MODEL 8 1 H1 GLY 1 H GLY 1 4.167 -11.027 -10.898 2 HA2 GLY 1 HA2 GLY 1 6.229 -12.476 -9.336 3 HA3 GLY 1 HA3 GLY 1 4.515 -12.922 -9.334 4 H SER 2 H SER 2 5.790 -15.009 -9.987 5 HA SER 2 HA SER 2 5.358 -15.491 -12.801 6 HB2 SER 2 HB2 SER 2 7.754 -14.650 -12.665 7 HB3 SER 2 HB3 SER 2 8.112 -16.007 -11.572 8 HG SER 2 HG SER 2 8.536 -16.228 -13.907 9 H THR 3 H THR 3 6.419 -18.030 -12.806 10 HA THR 3 HA THR 3 5.484 -19.401 -10.376 11 HB THR 3 HB THR 3 3.602 -19.069 -12.068 12 HG1 THR 3 HG1 THR 3 3.543 -20.462 -10.301 13 HG21 THR 3 HG21 THR 3 4.943 -19.845 -14.063 14 HG22 THR 3 HG22 THR 3 3.362 -20.621 -13.861 15 HG23 THR 3 HG23 THR 3 4.843 -21.494 -13.414 16 H MET 4 H MET 4 8.003 -18.900 -12.249 17 HA MET 4 HA MET 4 9.108 -21.642 -11.969 18 HB2 MET 4 HB2 MET 4 10.200 -21.327 -14.120 19 HB3 MET 4 HB3 MET 4 8.472 -21.104 -14.328 20 HG2 MET 4 HG2 MET 4 8.815 -18.621 -14.237 21 HG3 MET 4 HG3 MET 4 10.545 -18.880 -14.077 22 HE1 MET 4 HE1 MET 4 7.479 -18.648 -16.403 23 HE2 MET 4 HE2 MET 4 8.031 -19.412 -17.910 24 HE3 MET 4 HE3 MET 4 7.718 -20.412 -16.479 25 H HIS 5 H HIS 5 11.582 -21.538 -12.064 26 HA HIS 5 HA HIS 5 12.532 -19.587 -10.117 27 HB2 HIS 5 HB2 HIS 5 14.079 -21.619 -11.781 28 HB3 HIS 5 HB3 HIS 5 14.664 -20.756 -10.357 29 HD1 HIS 5 HD1 HIS 5 12.501 -23.706 -11.355 30 HD2 HIS 5 HD2 HIS 5 13.474 -21.443 -7.942 31 HE1 HIS 5 HE1 HIS 5 11.757 -25.095 -9.326 32 H PHE 6 H PHE 6 14.281 -17.977 -10.616 33 HA PHE 6 HA PHE 6 14.665 -17.375 -13.481 34 HB2 PHE 6 HB2 PHE 6 13.822 -15.097 -13.160 35 HB3 PHE 6 HB3 PHE 6 12.574 -16.274 -12.828 36 HD1 PHE 6 HD2 PHE 6 11.928 -16.807 -10.400 37 HD2 PHE 6 HD1 PHE 6 14.504 -13.495 -11.448 38 HE1 PHE 6 HE2 PHE 6 11.672 -15.875 -8.123 39 HE2 PHE 6 HE1 PHE 6 14.202 -12.556 -9.192 40 HZ PHE 6 HZ PHE 6 12.811 -13.746 -7.509 41 H THR 7 H THR 7 15.802 -14.894 -13.257 42 HA THR 7 HA THR 7 18.452 -15.483 -12.223 43 HB THR 7 HB THR 7 18.846 -13.201 -13.254 44 HG1 THR 7 HG1 THR 7 16.706 -12.503 -13.104 45 HG21 THR 7 HG21 THR 7 19.258 -15.274 -14.538 46 HG22 THR 7 HG22 THR 7 18.663 -13.987 -15.595 47 HG23 THR 7 HG23 THR 7 17.571 -15.296 -15.091 48 H ASP 8 H ASP 8 18.431 -15.394 -10.064 49 HA ASP 8 HA ASP 8 16.866 -13.872 -8.316 50 HB2 ASP 8 HB2 ASP 8 19.732 -14.780 -7.864 51 HB3 ASP 8 HB3 ASP 8 18.602 -14.299 -6.618 52 H ASP 9 H ASP 9 17.292 -12.073 -6.971 53 HA ASP 9 HA ASP 9 19.120 -9.992 -8.079 54 HB2 ASP 9 HB2 ASP 9 16.520 -9.784 -6.500 55 HB3 ASP 9 HB3 ASP 9 17.520 -8.433 -7.016 56 H ASN 10 H ASN 10 20.044 -8.557 -6.555 57 HA ASN 10 HA ASN 10 20.822 -9.714 -3.970 58 HB2 ASN 10 HB2 ASN 10 21.525 -7.143 -5.480 59 HB3 ASN 10 HB3 ASN 10 22.101 -7.463 -3.847 60 HD21 ASN 10 HD21 ASN 10 23.317 -7.611 -6.883 61 HD22 ASN 10 HD22 ASN 10 24.282 -9.043 -6.619 62 H GLU 11 H GLU 11 18.195 -8.208 -5.018 63 HA GLU 11 HA GLU 11 17.607 -6.324 -2.834 64 HB2 GLU 11 HB2 GLU 11 16.277 -7.250 -5.417 65 HB3 GLU 11 HB3 GLU 11 15.344 -6.368 -4.233 66 HG2 GLU 11 HG2 GLU 11 17.979 -5.259 -5.265 67 HG3 GLU 11 HG3 GLU 11 16.456 -5.055 -6.137 68 H ASN 12 H ASN 12 15.331 -6.643 -1.986 69 HA ASN 12 HA ASN 12 14.690 -9.455 -1.262 70 HB2 ASN 12 HB2 ASN 12 15.988 -8.309 0.548 71 HB3 ASN 12 HB3 ASN 12 14.708 -7.087 0.660 72 HD21 ASN 12 HD21 ASN 12 15.393 -8.673 2.927 73 HD22 ASN 12 HD22 ASN 12 14.133 -9.873 3.142 74 H ASP 13 H ASP 13 13.259 -9.191 -3.006 75 HA ASP 13 HA ASP 13 11.186 -7.130 -3.179 76 HB2 ASP 13 HB2 ASP 13 11.798 -7.909 -5.253 77 HB3 ASP 13 HB3 ASP 13 12.049 -9.557 -4.696 78 H THR 14 H THR 14 9.005 -7.334 -2.608 79 HA THR 14 HA THR 14 8.426 -9.241 -0.453 80 HB THR 14 HB THR 14 7.691 -6.912 -0.185 81 HG1 THR 14 HG1 THR 14 5.786 -8.956 -0.471 82 HG21 THR 14 HG21 THR 14 5.772 -5.983 -1.474 83 HG22 THR 14 HG22 THR 14 5.854 -7.341 -2.582 84 HG23 THR 14 HG23 THR 14 7.192 -6.194 -2.506 85 H SER 15 H SER 15 7.741 -8.863 -3.762 86 HA SER 15 HA SER 15 6.576 -9.922 -5.323 87 HB2 SER 15 HB2 SER 15 8.242 -11.729 -4.450 88 HB3 SER 15 HB3 SER 15 6.791 -12.556 -3.873 89 HG SER 15 HG SER 15 7.819 -12.358 -6.360 90 H GLU 16 H GLU 16 4.899 -8.512 -4.273 91 HA GLU 16 HA GLU 16 2.456 -10.043 -4.120 92 HB2 GLU 16 HB2 GLU 16 1.688 -9.606 -2.035 93 HB3 GLU 16 HB3 GLU 16 3.386 -9.949 -1.762 94 HG2 GLU 16 HG2 GLU 16 3.797 -7.495 -1.494 95 HG3 GLU 16 HG3 GLU 16 2.040 -7.289 -1.490 96 H THR 17 H THR 17 0.588 -8.192 -3.640 97 HA THR 17 HA THR 17 1.219 -5.831 -5.315 98 HB THR 17 HB THR 17 0.279 -7.379 -6.912 99 HG1 THR 17 HG1 THR 17 -1.977 -6.533 -7.115 100 HG21 THR 17 HG21 THR 17 -1.971 -8.471 -6.483 101 HG22 THR 17 HG22 THR 17 -1.777 -7.957 -4.791 102 HG23 THR 17 HG23 THR 17 -0.632 -9.098 -5.536 103 H MET 18 H MET 18 -0.678 -4.304 -5.106 104 HA MET 18 HA MET 18 -1.011 -3.616 -2.423 105 HB2 MET 18 HB2 MET 18 -2.501 -2.913 -4.994 106 HB3 MET 18 HB3 MET 18 -3.039 -2.222 -3.463 107 HG2 MET 18 HG2 MET 18 -0.117 -2.108 -3.985 108 HG3 MET 18 HG3 MET 18 -1.102 -1.129 -5.061 109 HE1 MET 18 HE1 MET 18 -1.037 -1.926 -1.113 110 HE2 MET 18 HE2 MET 18 -1.711 -0.410 -0.496 111 HE3 MET 18 HE3 MET 18 -2.734 -1.494 -1.431 112 H GLU 19 H GLU 19 -2.994 -5.482 -4.638 113 HA GLU 19 HA GLU 19 -5.410 -5.800 -3.274 114 HB2 GLU 19 HB2 GLU 19 -3.927 -7.798 -5.025 115 HB3 GLU 19 HB3 GLU 19 -5.636 -7.811 -4.695 116 HG2 GLU 19 HG2 GLU 19 -6.047 -5.934 -6.066 117 HG3 GLU 19 HG3 GLU 19 -4.368 -5.380 -6.031 118 H SER 20 H SER 20 -2.389 -7.810 -3.107 119 HA SER 20 HA SER 20 -3.318 -9.830 -1.410 120 HB2 SER 20 HB2 SER 20 -0.508 -8.651 -1.561 121 HB3 SER 20 HB3 SER 20 -0.946 -10.297 -1.095 122 HG SER 20 HG SER 20 -1.431 -10.789 -3.154 123 H LEU 21 H LEU 21 -1.819 -6.656 -0.759 124 HA LEU 21 HA LEU 21 -1.420 -6.999 2.036 125 HB2 LEU 21 HB2 LEU 21 -2.165 -4.389 0.608 126 HB3 LEU 21 HB3 LEU 21 -1.434 -4.534 2.163 127 HG LEU 21 HG LEU 21 -0.250 -4.863 -0.561 128 HD11 LEU 21 HD11 LEU 21 0.661 -3.507 2.016 129 HD12 LEU 21 HD12 LEU 21 -0.308 -2.758 0.744 130 HD13 LEU 21 HD13 LEU 21 1.367 -3.276 0.412 131 HD21 LEU 21 HD21 LEU 21 1.856 -5.709 0.414 132 HD22 LEU 21 HD22 LEU 21 0.546 -6.899 0.500 133 HD23 LEU 21 HD23 LEU 21 1.029 -5.990 1.950 134 H ILE 22 H ILE 22 -4.030 -5.374 0.250 135 HA ILE 22 HA ILE 22 -5.662 -4.800 2.469 136 HB ILE 22 HB ILE 22 -6.343 -5.281 -0.471 137 HG12 ILE 22 HG12 ILE 22 -5.889 -2.629 0.990 138 HG13 ILE 22 HG13 ILE 22 -4.608 -3.441 0.106 139 HG21 ILE 22 HG21 ILE 22 -8.323 -5.428 0.903 140 HG22 ILE 22 HG22 ILE 22 -7.864 -3.972 1.806 141 HG23 ILE 22 HG23 ILE 22 -8.360 -3.861 0.083 142 HD11 ILE 22 HD11 ILE 22 -7.133 -2.273 -1.014 143 HD12 ILE 22 HD12 ILE 22 -5.449 -1.917 -1.446 144 HD13 ILE 22 HD13 ILE 22 -6.166 -3.459 -1.937 145 H ASP 23 H ASP 23 -5.598 -7.657 0.306 146 HA ASP 23 HA ASP 23 -7.832 -9.064 1.324 147 HB2 ASP 23 HB2 ASP 23 -6.821 -9.585 -0.784 148 HB3 ASP 23 HB3 ASP 23 -5.252 -9.875 -0.044 149 H LYS 24 H LYS 24 -4.617 -8.633 2.719 150 HA LYS 24 HA LYS 24 -5.213 -10.758 4.773 151 HB2 LYS 24 HB2 LYS 24 -2.987 -11.131 4.768 152 HB3 LYS 24 HB3 LYS 24 -2.894 -10.124 3.357 153 HG2 LYS 24 HG2 LYS 24 -1.274 -9.182 4.619 154 HG3 LYS 24 HG3 LYS 24 -2.586 -8.146 5.097 155 HD2 LYS 24 HD2 LYS 24 -2.649 -10.383 6.893 156 HD3 LYS 24 HD3 LYS 24 -0.943 -9.981 6.691 157 HE2 LYS 24 HE2 LYS 24 -1.425 -7.657 7.479 158 HE3 LYS 24 HE3 LYS 24 -3.148 -8.050 7.558 159 HZ1 LYS 24 HZ1 LYS 24 -2.485 -9.828 9.170 160 HZ2 LYS 24 HZ2 LYS 24 -2.356 -8.315 9.710 161 HZ3 LYS 24 HZ3 LYS 24 -0.997 -9.123 9.246 162 H GLY 25 H GLY 25 -5.358 -7.365 4.330 163 HA2 GLY 25 HA2 GLY 25 -6.388 -5.888 5.900 164 HA3 GLY 25 HA3 GLY 25 -5.951 -6.958 7.224 165 H LYS 26 H LYS 26 -3.820 -5.719 4.593 166 HA LYS 26 HA LYS 26 -2.027 -4.526 6.686 167 HB2 LYS 26 HB2 LYS 26 -1.570 -5.683 3.959 168 HB3 LYS 26 HB3 LYS 26 -0.586 -4.297 4.425 169 HG2 LYS 26 HG2 LYS 26 -0.007 -5.588 6.528 170 HG3 LYS 26 HG3 LYS 26 -0.761 -6.987 5.769 171 HD2 LYS 26 HD2 LYS 26 1.288 -5.540 4.104 172 HD3 LYS 26 HD3 LYS 26 1.884 -6.343 5.544 173 HE2 LYS 26 HE2 LYS 26 0.707 -8.425 4.825 174 HE3 LYS 26 HE3 LYS 26 0.333 -7.647 3.284 175 HZ1 LYS 26 HZ1 LYS 26 3.087 -7.958 4.324 176 HZ2 LYS 26 HZ2 LYS 26 2.637 -7.710 2.714 177 HZ3 LYS 26 HZ3 LYS 26 2.320 -9.110 3.502 178 H LEU 27 H LEU 27 -3.893 -2.985 6.896 179 HA LEU 27 HA LEU 27 -4.148 -0.968 4.757 180 HB2 LEU 27 HB2 LEU 27 -5.445 -1.216 7.503 181 HB3 LEU 27 HB3 LEU 27 -5.705 0.129 6.443 182 HG LEU 27 HG LEU 27 -7.563 -1.131 6.002 183 HD11 LEU 27 HD11 LEU 27 -7.453 -2.147 3.820 184 HD12 LEU 27 HD12 LEU 27 -5.705 -2.394 3.935 185 HD13 LEU 27 HD13 LEU 27 -6.376 -0.740 3.806 186 HD21 LEU 27 HD21 LEU 27 -6.953 -3.079 7.321 187 HD22 LEU 27 HD22 LEU 27 -5.829 -3.614 6.057 188 HD23 LEU 27 HD23 LEU 27 -7.573 -3.590 5.750 189 H ASP 28 H ASP 28 -1.833 -1.502 6.957 190 HA ASP 28 HA ASP 28 -1.219 1.376 7.487 191 HB2 ASP 28 HB2 ASP 28 -0.399 -1.195 8.853 192 HB3 ASP 28 HB3 ASP 28 0.493 0.311 9.083 193 H GLN 29 H GLN 29 -0.572 -0.755 5.016 194 HA GLN 29 HA GLN 29 1.985 0.558 4.401 195 HB2 GLN 29 HB2 GLN 29 3.080 -1.696 4.022 196 HB3 GLN 29 HB3 GLN 29 2.874 -1.150 5.683 197 HG2 GLN 29 HG2 GLN 29 0.745 -2.738 5.578 198 HG3 GLN 29 HG3 GLN 29 1.653 -3.376 4.171 199 HE21 GLN 29 HE21 GLN 29 4.257 -3.201 5.052 200 HE22 GLN 29 HE22 GLN 29 4.521 -4.213 6.463 201 H VAL 30 H VAL 30 2.593 0.242 2.109 202 HA VAL 30 HA VAL 30 0.433 -0.901 0.408 203 HB VAL 30 HB VAL 30 0.346 1.008 -0.986 204 HG11 VAL 30 HG11 VAL 30 0.138 2.112 1.836 205 HG12 VAL 30 HG12 VAL 30 -0.767 2.605 0.387 206 HG13 VAL 30 HG13 VAL 30 -1.057 1.023 1.122 207 HG21 VAL 30 HG21 VAL 30 1.509 3.090 -0.525 208 HG22 VAL 30 HG22 VAL 30 2.413 2.294 0.785 209 HG23 VAL 30 HG23 VAL 30 2.644 1.800 -0.905 210 H VAL 31 H VAL 31 1.140 -1.123 -2.011 211 HA VAL 31 HA VAL 31 3.990 -1.616 -2.130 212 HB VAL 31 HB VAL 31 2.131 -3.038 -3.985 213 HG11 VAL 31 HG11 VAL 31 3.660 -4.679 -4.206 214 HG12 VAL 31 HG12 VAL 31 4.418 -3.087 -4.494 215 HG13 VAL 31 HG13 VAL 31 4.713 -3.973 -2.953 216 HG21 VAL 31 HG21 VAL 31 2.871 -4.013 -1.226 217 HG22 VAL 31 HG22 VAL 31 1.216 -3.731 -1.837 218 HG23 VAL 31 HG23 VAL 31 2.194 -5.067 -2.480 219 H TYR 32 H TYR 32 4.993 -0.458 -3.702 220 HA TYR 32 HA TYR 32 3.574 0.341 -6.145 221 HB2 TYR 32 HB2 TYR 32 2.920 2.320 -5.306 222 HB3 TYR 32 HB3 TYR 32 4.157 2.425 -4.108 223 HD1 TYR 32 HD1 TYR 32 3.566 2.605 -7.810 224 HD2 TYR 32 HD2 TYR 32 6.091 3.947 -4.570 225 HE1 TYR 32 HE1 TYR 32 4.949 3.875 -9.393 226 HE2 TYR 32 HE2 TYR 32 7.489 5.180 -6.142 227 HH TYR 32 HH TYR 32 7.168 4.726 -9.584 228 H ASP 33 H ASP 33 4.921 0.482 -7.789 229 HA ASP 33 HA ASP 33 6.738 0.089 -9.066 230 HB2 ASP 33 HB2 ASP 33 7.390 2.209 -7.704 231 HB3 ASP 33 HB3 ASP 33 8.473 1.165 -6.807 232 H ASP 34 H ASP 34 5.732 -1.969 -7.279 233 HA ASP 34 HA ASP 34 6.151 -4.106 -6.638 234 HB2 ASP 34 HB2 ASP 34 7.389 -3.980 -8.903 235 HB3 ASP 34 HB3 ASP 34 8.882 -3.963 -7.932 236 H GLN 35 H GLN 35 6.766 -1.981 -4.883 237 HA GLN 35 HA GLN 35 8.836 -3.321 -3.188 238 HB2 GLN 35 HB2 GLN 35 8.465 -0.336 -3.328 239 HB3 GLN 35 HB3 GLN 35 9.693 -1.209 -2.446 240 HG2 GLN 35 HG2 GLN 35 9.497 -0.612 -5.385 241 HG3 GLN 35 HG3 GLN 35 10.747 -0.221 -4.242 242 HE21 GLN 35 HE21 GLN 35 11.227 -2.760 -3.079 243 HE22 GLN 35 HE22 GLN 35 11.853 -3.824 -4.361 244 H LEU 36 H LEU 36 8.546 -2.924 -0.964 245 HA LEU 36 HA LEU 36 5.719 -2.385 -0.228 246 HB2 LEU 36 HB2 LEU 36 6.773 -4.693 0.049 247 HB3 LEU 36 HB3 LEU 36 7.794 -4.022 1.293 248 HG LEU 36 HG LEU 36 5.818 -3.577 2.672 249 HD11 LEU 36 HD11 LEU 36 4.209 -4.754 0.375 250 HD12 LEU 36 HD12 LEU 36 4.086 -3.078 0.962 251 HD13 LEU 36 HD13 LEU 36 3.569 -4.418 1.991 252 HD21 LEU 36 HD21 LEU 36 5.794 -6.321 1.404 253 HD22 LEU 36 HD22 LEU 36 5.201 -5.947 3.031 254 HD23 LEU 36 HD23 LEU 36 6.938 -5.818 2.653 255 H TYR 37 H TYR 37 5.324 -0.658 0.957 256 HA TYR 37 HA TYR 37 7.540 0.448 2.591 257 HB2 TYR 37 HB2 TYR 37 5.344 2.227 1.629 258 HB3 TYR 37 HB3 TYR 37 6.971 2.647 2.144 259 HD1 TYR 37 HD1 TYR 37 8.837 1.373 0.482 260 HD2 TYR 37 HD2 TYR 37 4.913 2.869 -0.491 261 HE1 TYR 37 HE1 TYR 37 9.494 1.527 -1.922 262 HE2 TYR 37 HE2 TYR 37 5.561 3.014 -2.825 263 HH TYR 37 HH TYR 37 7.523 1.517 -4.389 264 H HIS 38 H HIS 38 6.948 1.381 4.595 265 HA HIS 38 HA HIS 38 4.383 0.439 5.721 266 HB2 HIS 38 HB2 HIS 38 7.144 0.294 6.490 267 HB3 HIS 38 HB3 HIS 38 6.420 1.391 7.618 268 HD1 HIS 38 HD1 HIS 38 7.233 -1.630 8.614 269 HD2 HIS 38 HD2 HIS 38 3.417 -0.107 7.589 270 HE1 HIS 38 HE1 HIS 38 5.525 -3.057 9.797 271 H LEU 39 H LEU 39 2.932 2.018 6.443 272 HA LEU 39 HA LEU 39 3.629 4.808 5.884 273 HB2 LEU 39 HB2 LEU 39 1.251 3.599 7.338 274 HB3 LEU 39 HB3 LEU 39 1.365 5.284 6.807 275 HG LEU 39 HG LEU 39 1.584 2.916 4.908 276 HD11 LEU 39 HD11 LEU 39 -0.644 3.082 4.276 277 HD12 LEU 39 HD12 LEU 39 -0.936 4.454 5.400 278 HD13 LEU 39 HD13 LEU 39 -0.590 2.856 6.031 279 HD21 LEU 39 HD21 LEU 39 1.052 4.559 3.153 280 HD22 LEU 39 HD22 LEU 39 2.393 5.224 4.112 281 HD23 LEU 39 HD23 LEU 39 0.753 5.806 4.369 282 H LYS 40 H LYS 40 4.031 6.414 7.404 283 HA LYS 40 HA LYS 40 4.632 5.485 10.192 284 HB2 LYS 40 HB2 LYS 40 6.080 7.666 8.599 285 HB3 LYS 40 HB3 LYS 40 6.480 7.107 10.220 286 HG2 LYS 40 HG2 LYS 40 6.664 5.507 7.646 287 HG3 LYS 40 HG3 LYS 40 8.017 6.208 8.507 288 HD2 LYS 40 HD2 LYS 40 6.282 4.303 10.091 289 HD3 LYS 40 HD3 LYS 40 7.193 3.625 8.786 290 HE2 LYS 40 HE2 LYS 40 9.284 4.619 9.722 291 HE3 LYS 40 HE3 LYS 40 8.344 5.287 11.064 292 HZ1 LYS 40 HZ1 LYS 40 7.748 3.066 11.716 293 HZ2 LYS 40 HZ2 LYS 40 9.388 3.134 11.583 294 HZ3 LYS 40 HZ3 LYS 40 8.513 2.396 10.423 295 H GLU 41 H GLU 41 4.235 8.491 8.438 296 HA GLU 41 HA GLU 41 1.876 9.128 10.153 297 HB2 GLU 41 HB2 GLU 41 2.781 11.109 11.162 298 HB3 GLU 41 HB3 GLU 41 3.887 9.782 11.472 299 HG2 GLU 41 HG2 GLU 41 5.110 10.664 9.281 300 HG3 GLU 41 HG3 GLU 41 4.198 12.135 9.591 301 H LYS 42 H LYS 42 0.980 11.314 9.697 302 HA LYS 42 HA LYS 42 0.574 11.604 6.816 303 HB2 LYS 42 HB2 LYS 42 -1.172 11.666 8.769 304 HB3 LYS 42 HB3 LYS 42 -0.684 13.341 8.980 305 HG2 LYS 42 HG2 LYS 42 -1.589 12.205 6.297 306 HG3 LYS 42 HG3 LYS 42 -2.753 12.712 7.496 307 HD2 LYS 42 HD2 LYS 42 -0.666 14.732 6.825 308 HD3 LYS 42 HD3 LYS 42 -1.819 14.338 5.542 309 HE2 LYS 42 HE2 LYS 42 -3.672 14.941 7.033 310 HE3 LYS 42 HE3 LYS 42 -2.540 15.199 8.365 311 HZ1 LYS 42 HZ1 LYS 42 -1.518 16.975 6.973 312 HZ2 LYS 42 HZ2 LYS 42 -3.072 17.289 7.371 313 HZ3 LYS 42 HZ3 LYS 42 -2.707 16.766 5.862 314 H VAL 43 H VAL 43 1.050 13.557 5.637 315 HA VAL 43 HA VAL 43 2.713 15.600 6.989 316 HB VAL 43 HB VAL 43 4.350 15.504 5.197 317 HG11 VAL 43 HG11 VAL 43 5.564 13.563 5.832 318 HG12 VAL 43 HG12 VAL 43 4.651 14.039 7.264 319 HG13 VAL 43 HG13 VAL 43 4.090 12.678 6.294 320 HG21 VAL 43 HG21 VAL 43 2.928 13.017 4.171 321 HG22 VAL 43 HG22 VAL 43 2.893 14.616 3.395 322 HG23 VAL 43 HG23 VAL 43 4.425 13.748 3.561 323 H ASP 44 H ASP 44 3.000 17.507 5.516 324 HA ASP 44 HA ASP 44 0.389 18.281 4.384 325 HB2 ASP 44 HB2 ASP 44 2.017 19.612 5.983 326 HB3 ASP 44 HB3 ASP 44 2.911 19.966 4.501 327 H GLU 45 H GLU 45 0.476 19.551 2.262 328 HA GLU 45 HA GLU 45 1.868 17.971 0.153 329 HB2 GLU 45 HB2 GLU 45 0.715 19.310 -1.412 330 HB3 GLU 45 HB3 GLU 45 -0.422 18.797 -0.181 331 HG2 GLU 45 HG2 GLU 45 -0.265 21.044 0.921 332 HG3 GLU 45 HG3 GLU 45 0.860 21.562 -0.352 333 H ASP 46 H ASP 46 2.777 20.592 2.136 334 HA ASP 46 HA ASP 46 4.643 21.738 0.177 335 HB2 ASP 46 HB2 ASP 46 4.139 22.205 3.150 336 HB3 ASP 46 HB3 ASP 46 5.391 23.040 2.229 337 H LYS 47 H LYS 47 4.573 18.891 1.891 338 HA LYS 47 HA LYS 47 7.446 18.870 2.637 339 HB2 LYS 47 HB2 LYS 47 5.454 16.640 3.098 340 HB3 LYS 47 HB3 LYS 47 6.983 16.924 3.903 341 HG2 LYS 47 HG2 LYS 47 4.439 18.466 4.170 342 HG3 LYS 47 HG3 LYS 47 5.244 17.529 5.421 343 HD2 LYS 47 HD2 LYS 47 7.175 19.428 4.822 344 HD3 LYS 47 HD3 LYS 47 5.697 20.313 4.476 345 HE2 LYS 47 HE2 LYS 47 6.286 20.779 6.711 346 HE3 LYS 47 HE3 LYS 47 4.856 19.746 6.770 347 HZ1 LYS 47 HZ1 LYS 47 6.209 17.947 7.478 348 HZ2 LYS 47 HZ2 LYS 47 6.766 19.255 8.307 349 HZ3 LYS 47 HZ3 LYS 47 7.617 18.696 7.016 350 H LYS 48 H LYS 48 5.316 17.837 0.118 351 HA LYS 48 HA LYS 48 6.669 15.605 -0.793 352 HB2 LYS 48 HB2 LYS 48 5.538 15.724 -2.781 353 HB3 LYS 48 HB3 LYS 48 4.449 16.256 -1.502 354 HG2 LYS 48 HG2 LYS 48 5.063 18.664 -2.202 355 HG3 LYS 48 HG3 LYS 48 5.924 17.946 -3.553 356 HD2 LYS 48 HD2 LYS 48 3.852 18.571 -4.309 357 HD3 LYS 48 HD3 LYS 48 3.913 16.809 -4.294 358 HE2 LYS 48 HE2 LYS 48 2.488 16.677 -2.389 359 HE3 LYS 48 HE3 LYS 48 2.394 18.457 -2.304 360 HZ1 LYS 48 HZ1 LYS 48 0.464 17.435 -3.472 361 HZ2 LYS 48 HZ2 LYS 48 1.477 16.859 -4.621 362 HZ3 LYS 48 HZ3 LYS 48 1.255 18.473 -4.405 363 H GLY 49 H GLY 49 8.635 15.296 -1.658 364 HA2 GLY 49 HA2 GLY 49 10.401 17.578 -2.204 365 HA3 GLY 49 HA3 GLY 49 10.821 15.867 -2.271 366 H LYS 50 H LYS 50 8.937 14.870 -4.026 367 HA LYS 50 HA LYS 50 8.532 16.343 -6.456 368 HB2 LYS 50 HB2 LYS 50 10.200 14.981 -7.794 369 HB3 LYS 50 HB3 LYS 50 10.923 16.201 -6.757 370 HG2 LYS 50 HG2 LYS 50 11.255 14.229 -5.031 371 HG3 LYS 50 HG3 LYS 50 10.938 13.182 -6.424 372 HD2 LYS 50 HD2 LYS 50 13.162 15.220 -6.025 373 HD3 LYS 50 HD3 LYS 50 13.319 13.460 -6.094 374 HE2 LYS 50 HE2 LYS 50 12.576 13.514 -8.488 375 HE3 LYS 50 HE3 LYS 50 12.491 15.284 -8.394 376 HZ1 LYS 50 HZ1 LYS 50 14.867 13.574 -8.220 377 HZ2 LYS 50 HZ2 LYS 50 14.933 15.106 -7.692 378 HZ3 LYS 50 HZ3 LYS 50 14.588 14.784 -9.290 379 H VAL 51 H VAL 51 7.366 14.978 -8.030 380 HA VAL 51 HA VAL 51 6.081 12.617 -6.798 381 HB VAL 51 HB VAL 51 5.796 14.188 -9.359 382 HG11 VAL 51 HG11 VAL 51 3.977 12.696 -10.080 383 HG12 VAL 51 HG12 VAL 51 5.534 11.887 -10.140 384 HG13 VAL 51 HG13 VAL 51 4.406 11.535 -8.801 385 HG21 VAL 51 HG21 VAL 51 4.619 14.941 -7.288 386 HG22 VAL 51 HG22 VAL 51 3.542 14.556 -8.619 387 HG23 VAL 51 HG23 VAL 51 3.727 13.380 -7.289 388 H ILE 52 H ILE 52 6.350 10.502 -7.544 389 HA ILE 52 HA ILE 52 8.607 9.991 -9.415 390 HB ILE 52 HB ILE 52 9.292 8.081 -7.987 391 HG12 ILE 52 HG12 ILE 52 7.691 9.411 -5.750 392 HG13 ILE 52 HG13 ILE 52 7.148 7.975 -6.622 393 HG21 ILE 52 HG21 ILE 52 9.577 10.813 -6.656 394 HG22 ILE 52 HG22 ILE 52 10.721 9.441 -6.593 395 HG23 ILE 52 HG23 ILE 52 10.463 10.300 -8.097 396 HD11 ILE 52 HD11 ILE 52 9.207 6.770 -5.917 397 HD12 ILE 52 HD12 ILE 52 9.643 8.162 -4.911 398 HD13 ILE 52 HD13 ILE 52 8.154 7.270 -4.577 399 H GLY 53 H GLY 53 5.445 9.008 -8.099 400 HA2 GLY 53 HA2 GLY 53 4.683 7.793 -10.535 401 HA3 GLY 53 HA3 GLY 53 5.173 6.529 -9.394 402 H ALA 54 H ALA 54 2.631 6.140 -9.769 403 HA ALA 54 HA ALA 54 1.266 7.417 -7.499 404 HB1 ALA 54 HB1 ALA 54 0.050 7.143 -10.297 405 HB2 ALA 54 HB2 ALA 54 -0.724 7.874 -8.889 406 HB3 ALA 54 HB3 ALA 54 0.667 8.666 -9.661 407 H ILE 55 H ILE 55 -0.157 6.077 -6.403 408 HA ILE 55 HA ILE 55 -0.240 3.253 -7.255 409 HB ILE 55 HB ILE 55 -1.320 4.766 -4.854 410 HG12 ILE 55 HG12 ILE 55 0.778 2.561 -4.957 411 HG13 ILE 55 HG13 ILE 55 1.201 4.269 -5.065 412 HG21 ILE 55 HG21 ILE 55 -1.964 2.594 -3.939 413 HG22 ILE 55 HG22 ILE 55 -2.842 2.952 -5.415 414 HG23 ILE 55 HG23 ILE 55 -1.494 1.787 -5.457 415 HD11 ILE 55 HD11 ILE 55 -0.050 4.627 -2.890 416 HD12 ILE 55 HD12 ILE 55 -0.107 2.861 -2.718 417 HD13 ILE 55 HD13 ILE 55 1.462 3.692 -2.786 418 H GLY 56 H GLY 56 -2.507 5.879 -6.439 419 HA2 GLY 56 HA2 GLY 56 -4.514 6.577 -7.175 420 HA3 GLY 56 HA3 GLY 56 -4.020 5.973 -8.739 421 H GLN 57 H GLN 57 -4.183 3.197 -6.828 422 HA GLN 57 HA GLN 57 -6.507 2.319 -8.181 423 HB2 GLN 57 HB2 GLN 57 -5.085 0.989 -5.841 424 HB3 GLN 57 HB3 GLN 57 -6.142 0.232 -7.039 425 HG2 GLN 57 HG2 GLN 57 -4.384 1.183 -8.772 426 HG3 GLN 57 HG3 GLN 57 -3.316 1.241 -7.370 427 HE21 GLN 57 HE21 GLN 57 -2.124 -0.629 -7.038 428 HE22 GLN 57 HE22 GLN 57 -2.636 -2.229 -7.537 429 H THR 58 H THR 58 -8.216 0.984 -6.945 430 HA THR 58 HA THR 58 -9.140 2.250 -4.508 431 HB THR 58 HB THR 58 -11.118 1.960 -6.782 432 HG1 THR 58 HG1 THR 58 -9.677 3.526 -7.442 433 HG21 THR 58 HG21 THR 58 -11.997 2.042 -4.449 434 HG22 THR 58 HG22 THR 58 -12.438 3.510 -5.326 435 HG23 THR 58 HG23 THR 58 -11.100 3.538 -4.151 436 H PHE 59 H PHE 59 -10.049 0.693 -3.195 437 HA PHE 59 HA PHE 59 -10.988 -1.865 -4.307 438 HB2 PHE 59 HB2 PHE 59 -8.754 -1.557 -2.260 439 HB3 PHE 59 HB3 PHE 59 -9.549 -3.083 -2.625 440 HD1 PHE 59 HD1 PHE 59 -9.493 -3.876 -5.115 441 HD2 PHE 59 HD2 PHE 59 -6.746 -1.007 -3.447 442 HE1 PHE 59 HE1 PHE 59 -7.877 -4.366 -6.929 443 HE2 PHE 59 HE2 PHE 59 -5.115 -1.532 -5.226 444 HZ PHE 59 HZ PHE 59 -5.680 -3.204 -6.986 445 H PHE 60 H PHE 60 -11.972 -3.186 -2.363 446 HA PHE 60 HA PHE 60 -12.833 -1.423 -0.148 447 HB2 PHE 60 HB2 PHE 60 -14.640 -3.111 -1.909 448 HB3 PHE 60 HB3 PHE 60 -15.143 -2.248 -0.462 449 HD1 PHE 60 HD1 PHE 60 -13.976 -1.836 -3.976 450 HD2 PHE 60 HD2 PHE 60 -15.723 0.114 -0.532 451 HE1 PHE 60 HE1 PHE 60 -14.463 0.139 -5.343 452 HE2 PHE 60 HE2 PHE 60 -16.389 2.006 -1.959 453 HZ PHE 60 HZ PHE 60 -15.665 2.104 -4.333 454 H VAL 61 H VAL 61 -13.500 -2.640 1.777 455 HA VAL 61 HA VAL 61 -13.261 -5.540 1.604 456 HB VAL 61 HB VAL 61 -11.991 -5.663 3.708 457 HG11 VAL 61 HG11 VAL 61 -10.866 -6.009 1.561 458 HG12 VAL 61 HG12 VAL 61 -10.535 -4.266 1.436 459 HG13 VAL 61 HG13 VAL 61 -9.804 -5.238 2.732 460 HG21 VAL 61 HG21 VAL 61 -12.409 -3.444 4.556 461 HG22 VAL 61 HG22 VAL 61 -10.671 -3.753 4.430 462 HG23 VAL 61 HG23 VAL 61 -11.463 -2.708 3.225 463 H ASP 62 H ASP 62 -14.206 -6.586 3.589 464 HA ASP 62 HA ASP 62 -16.609 -5.083 4.423 465 HB2 ASP 62 HB2 ASP 62 -17.623 -7.250 4.831 466 HB3 ASP 62 HB3 ASP 62 -16.936 -7.269 3.211 467 H GLY 63 H GLY 63 -17.417 -6.441 6.487 468 HA2 GLY 63 HA2 GLY 63 -16.107 -5.240 8.695 469 HA3 GLY 63 HA3 GLY 63 -17.452 -6.400 8.744 470 H ASP 64 H ASP 64 -15.276 -8.192 7.071 471 HA ASP 64 HA ASP 64 -14.102 -9.347 9.545 472 HB2 ASP 64 HB2 ASP 64 -15.639 -10.754 8.119 473 HB3 ASP 64 HB3 ASP 64 -14.471 -10.611 6.806 474 H GLY 65 H GLY 65 -13.506 -7.644 6.572 475 HA2 GLY 65 HA2 GLY 65 -11.556 -6.422 6.127 476 HA3 GLY 65 HA3 GLY 65 -10.586 -7.576 7.057 477 H LYS 66 H LYS 66 -13.085 -8.575 4.655 478 HA LYS 66 HA LYS 66 -10.931 -9.902 3.087 479 HB2 LYS 66 HB2 LYS 66 -13.945 -10.302 3.174 480 HB3 LYS 66 HB3 LYS 66 -12.808 -11.186 2.151 481 HG2 LYS 66 HG2 LYS 66 -11.605 -11.950 4.273 482 HG3 LYS 66 HG3 LYS 66 -12.908 -11.188 5.199 483 HD2 LYS 66 HD2 LYS 66 -13.571 -13.438 5.020 484 HD3 LYS 66 HD3 LYS 66 -14.534 -12.590 3.801 485 HE2 LYS 66 HE2 LYS 66 -12.696 -13.238 2.109 486 HE3 LYS 66 HE3 LYS 66 -12.008 -14.253 3.384 487 HZ1 LYS 66 HZ1 LYS 66 -13.345 -15.567 2.032 488 HZ2 LYS 66 HZ2 LYS 66 -14.631 -14.545 2.069 489 HZ3 LYS 66 HZ3 LYS 66 -14.177 -15.406 3.431 490 H ARG 67 H ARG 67 -10.761 -9.554 0.853 491 HA ARG 67 HA ARG 67 -11.539 -7.023 -0.205 492 HB2 ARG 67 HB2 ARG 67 -10.178 -9.559 -1.142 493 HB3 ARG 67 HB3 ARG 67 -10.831 -8.517 -2.381 494 HG2 ARG 67 HG2 ARG 67 -8.964 -7.502 -0.201 495 HG3 ARG 67 HG3 ARG 67 -8.392 -8.146 -1.733 496 HD2 ARG 67 HD2 ARG 67 -10.089 -5.661 -1.300 497 HD3 ARG 67 HD3 ARG 67 -8.427 -5.739 -1.897 498 HE ARG 67 HE ARG 67 -10.839 -5.883 -3.352 499 HH11 ARG 67 HH11 ARG 67 -7.914 -7.875 -3.414 500 HH12 ARG 67 HH12 ARG 67 -7.886 -8.024 -5.124 501 HH21 ARG 67 HH21 ARG 67 -10.674 -5.955 -5.698 502 HH22 ARG 67 HH22 ARG 67 -9.369 -6.821 -6.436 503 H TRP 68 H TRP 68 -13.253 -6.412 -1.328 504 HA TRP 68 HA TRP 68 -15.490 -8.313 -1.722 505 HB2 TRP 68 HB2 TRP 68 -15.043 -5.344 -2.193 506 HB3 TRP 68 HB3 TRP 68 -16.405 -6.172 -2.898 507 HD1 TRP 68 HD1 TRP 68 -15.049 -5.757 0.732 508 HE1 TRP 68 HE1 TRP 68 -17.076 -5.439 2.280 509 HE3 TRP 68 HE3 TRP 68 -18.789 -6.444 -2.671 510 HZ2 TRP 68 HZ2 TRP 68 -19.920 -5.896 2.144 511 HZ3 TRP 68 HZ3 TRP 68 -21.144 -6.553 -1.945 512 HH2 TRP 68 HH2 TRP 68 -21.707 -6.327 0.460 513 H SER 69 H SER 69 -15.847 -9.323 -3.676 514 HA SER 69 HA SER 69 -13.907 -8.980 -5.836 515 HB2 SER 69 HB2 SER 69 -16.454 -10.602 -6.025 516 HB3 SER 69 HB3 SER 69 -14.878 -10.883 -6.795 517 HG SER 69 HG SER 69 -15.682 -11.233 -4.115 518 H GLU 70 H GLU 70 -14.530 -8.331 -8.071 519 HA GLU 70 HA GLU 70 -16.078 -5.983 -8.170 520 HB2 GLU 70 HB2 GLU 70 -15.208 -7.928 -10.335 521 HB3 GLU 70 HB3 GLU 70 -16.073 -6.429 -10.704 522 HG2 GLU 70 HG2 GLU 70 -14.346 -5.044 -9.824 523 HG3 GLU 70 HG3 GLU 70 -13.544 -6.396 -9.028 524 H GLU 71 H GLU 71 -17.127 -9.365 -8.741 525 HA GLU 71 HA GLU 71 -19.693 -8.735 -9.816 526 HB2 GLU 71 HB2 GLU 71 -18.800 -11.137 -8.181 527 HB3 GLU 71 HB3 GLU 71 -20.318 -10.985 -9.093 528 HG2 GLU 71 HG2 GLU 71 -18.821 -10.366 -11.115 529 HG3 GLU 71 HG3 GLU 71 -17.501 -11.018 -10.155 530 H GLU 72 H GLU 72 -18.653 -9.281 -6.467 531 HA GLU 72 HA GLU 72 -21.203 -8.948 -5.260 532 HB2 GLU 72 HB2 GLU 72 -18.442 -8.317 -4.122 533 HB3 GLU 72 HB3 GLU 72 -19.929 -8.515 -3.178 534 HG2 GLU 72 HG2 GLU 72 -20.094 -10.849 -3.765 535 HG3 GLU 72 HG3 GLU 72 -18.786 -10.731 -4.932 536 H LEU 73 H LEU 73 -18.911 -6.623 -6.502 537 HA LEU 73 HA LEU 73 -20.219 -4.279 -5.330 538 HB2 LEU 73 HB2 LEU 73 -18.091 -4.402 -7.482 539 HB3 LEU 73 HB3 LEU 73 -18.652 -2.968 -6.622 540 HG LEU 73 HG LEU 73 -17.164 -5.317 -5.384 541 HD11 LEU 73 HD11 LEU 73 -15.369 -3.711 -5.057 542 HD12 LEU 73 HD12 LEU 73 -16.332 -2.421 -5.811 543 HD13 LEU 73 HD13 LEU 73 -15.778 -3.818 -6.769 544 HD21 LEU 73 HD21 LEU 73 -17.106 -3.889 -3.339 545 HD22 LEU 73 HD22 LEU 73 -18.721 -4.491 -3.718 546 HD23 LEU 73 HD23 LEU 73 -18.310 -2.822 -4.113 547 H LYS 74 H LYS 74 -20.632 -6.159 -8.260 548 HA LYS 74 HA LYS 74 -22.085 -3.988 -9.669 549 HB2 LYS 74 HB2 LYS 74 -21.431 -6.882 -10.353 550 HB3 LYS 74 HB3 LYS 74 -22.328 -5.805 -11.423 551 HG2 LYS 74 HG2 LYS 74 -20.469 -4.499 -11.950 552 HG3 LYS 74 HG3 LYS 74 -19.693 -4.772 -10.408 553 HD2 LYS 74 HD2 LYS 74 -18.304 -5.927 -11.742 554 HD3 LYS 74 HD3 LYS 74 -19.344 -7.228 -11.191 555 HE2 LYS 74 HE2 LYS 74 -19.934 -5.755 -13.765 556 HE3 LYS 74 HE3 LYS 74 -18.635 -6.944 -13.715 557 HZ1 LYS 74 HZ1 LYS 74 -20.750 -7.839 -14.487 558 HZ2 LYS 74 HZ2 LYS 74 -21.410 -7.684 -12.972 559 HZ3 LYS 74 HZ3 LYS 74 -20.147 -8.667 -13.235 560 H GLU 75 H GLU 75 -22.726 -6.754 -7.651 561 HA GLU 75 HA GLU 75 -25.344 -7.359 -8.416 562 HB2 GLU 75 HB2 GLU 75 -23.926 -7.549 -5.796 563 HB3 GLU 75 HB3 GLU 75 -25.564 -8.093 -5.900 564 HG2 GLU 75 HG2 GLU 75 -23.459 -9.117 -7.817 565 HG3 GLU 75 HG3 GLU 75 -23.763 -9.843 -6.249 566 HA PRO 76 HA PRO 76 -27.893 -4.033 -7.266 567 HB2 PRO 76 HB2 PRO 76 -30.209 -5.242 -6.273 568 HB3 PRO 76 HB3 PRO 76 -29.750 -5.073 -7.992 569 HG2 PRO 76 HG2 PRO 76 -29.599 -7.462 -6.215 570 HG3 PRO 76 HG3 PRO 76 -29.827 -7.390 -7.989 571 HD2 PRO 76 HD2 PRO 76 -27.470 -7.971 -6.603 572 HD3 PRO 76 HD3 PRO 76 -27.490 -7.518 -8.307 573 H TYR 77 H TYR 77 -29.151 -2.894 -5.552 574 HA TYR 77 HA TYR 77 -27.760 -3.158 -2.961 575 HB2 TYR 77 HB2 TYR 77 -27.707 -0.998 -3.953 576 HB3 TYR 77 HB3 TYR 77 -29.447 -0.961 -4.173 577 HD1 TYR 77 HD1 TYR 77 -28.004 -2.234 -0.932 578 HD2 TYR 77 HD2 TYR 77 -29.570 1.196 -3.063 579 HE1 TYR 77 HE1 TYR 77 -28.149 -0.988 1.177 580 HE2 TYR 77 HE2 TYR 77 -29.619 2.470 -0.960 581 HH TYR 77 HH TYR 77 -28.649 2.485 1.201 582 H ILE 78 H ILE 78 -31.109 -2.053 -3.624 583 HA ILE 78 HA ILE 78 -32.033 -3.540 -1.323 584 HB ILE 78 HB ILE 78 -34.263 -2.778 -1.912 585 HG12 ILE 78 HG12 ILE 78 -33.051 -1.352 -4.324 586 HG13 ILE 78 HG13 ILE 78 -34.053 -2.808 -4.407 587 HG21 ILE 78 HG21 ILE 78 -33.857 -0.437 -1.403 588 HG22 ILE 78 HG22 ILE 78 -32.632 -1.416 -0.595 589 HG23 ILE 78 HG23 ILE 78 -32.212 -0.524 -2.074 590 HD11 ILE 78 HD11 ILE 78 -34.958 -0.099 -3.385 591 HD12 ILE 78 HD12 ILE 78 -35.452 -0.922 -4.875 592 HD13 ILE 78 HD13 ILE 78 -35.915 -1.600 -3.301 593 H SER 79 H SER 79 -32.925 -5.427 -1.236 594 HA SER 79 HA SER 79 -33.721 -7.048 -3.509 595 HB2 SER 79 HB2 SER 79 -31.518 -7.859 -1.541 596 HB3 SER 79 HB3 SER 79 -32.199 -8.897 -2.800 597 HG SER 79 HG SER 79 -30.167 -7.927 -3.249 598 H ASN 80 H ASN 80 -34.258 -9.375 -2.256 599 HA ASN 80 HA ASN 80 -36.127 -8.600 -0.118 600 HB2 ASN 80 HB2 ASN 80 -35.749 -11.004 -1.885 601 HB3 ASN 80 HB3 ASN 80 -36.408 -11.304 -0.282 602 HD21 ASN 80 HD21 ASN 80 -38.270 -9.803 0.437 603 HD22 ASN 80 HD22 ASN 80 -39.413 -9.398 -0.849 604 H ASN 81 H ASN 81 -32.842 -9.635 -0.166 605 HA ASN 81 HA ASN 81 -32.941 -10.506 2.656 606 HB2 ASN 81 HB2 ASN 81 -31.140 -11.982 2.124 607 HB3 ASN 81 HB3 ASN 81 -32.507 -12.364 1.078 608 HD21 ASN 81 HD21 ASN 81 -29.741 -13.032 0.664 609 HD22 ASN 81 HD22 ASN 81 -29.151 -12.240 -0.792 610 HA PRO 82 HA PRO 82 -30.168 -6.720 1.883 611 HB2 PRO 82 HB2 PRO 82 -31.318 -5.000 3.713 612 HB3 PRO 82 HB3 PRO 82 -31.858 -5.164 2.013 613 HG2 PRO 82 HG2 PRO 82 -32.989 -6.512 4.485 614 HG3 PRO 82 HG3 PRO 82 -33.886 -5.636 3.197 615 HD2 PRO 82 HD2 PRO 82 -33.652 -8.350 3.169 616 HD3 PRO 82 HD3 PRO 82 -33.529 -7.412 1.649 617 H ASP 83 H ASP 83 -30.812 -8.862 4.444 618 HA ASP 83 HA ASP 83 -29.022 -7.531 6.386 619 HB2 ASP 83 HB2 ASP 83 -31.109 -8.758 6.990 620 HB3 ASP 83 HB3 ASP 83 -30.339 -10.266 6.492 621 H GLU 84 H GLU 84 -28.867 -9.911 3.876 622 HA GLU 84 HA GLU 84 -26.528 -11.328 4.852 623 HB2 GLU 84 HB2 GLU 84 -27.731 -11.235 2.057 624 HB3 GLU 84 HB3 GLU 84 -26.465 -12.341 2.617 625 HG2 GLU 84 HG2 GLU 84 -28.132 -13.026 4.494 626 HG3 GLU 84 HG3 GLU 84 -29.358 -12.192 3.520 627 H ILE 85 H ILE 85 -26.804 -8.220 3.409 628 HA ILE 85 HA ILE 85 -24.086 -8.337 2.256 629 HB ILE 85 HB ILE 85 -24.551 -5.963 1.621 630 HG12 ILE 85 HG12 ILE 85 -27.465 -6.557 2.246 631 HG13 ILE 85 HG13 ILE 85 -26.438 -5.701 3.397 632 HG21 ILE 85 HG21 ILE 85 -26.489 -8.115 0.616 633 HG22 ILE 85 HG22 ILE 85 -25.972 -6.668 -0.262 634 HG23 ILE 85 HG23 ILE 85 -24.796 -7.915 0.115 635 HD11 ILE 85 HD11 ILE 85 -27.069 -4.746 0.591 636 HD12 ILE 85 HD12 ILE 85 -27.736 -4.118 2.105 637 HD13 ILE 85 HD13 ILE 85 -26.004 -3.926 1.768 638 H ARG 86 H ARG 86 -22.361 -7.555 3.170 639 HA ARG 86 HA ARG 86 -22.532 -6.594 5.965 640 HB2 ARG 86 HB2 ARG 86 -21.108 -8.603 4.896 641 HB3 ARG 86 HB3 ARG 86 -19.953 -7.336 4.558 642 HG2 ARG 86 HG2 ARG 86 -19.696 -6.864 6.946 643 HG3 ARG 86 HG3 ARG 86 -21.099 -7.888 7.336 644 HD2 ARG 86 HD2 ARG 86 -19.955 -9.869 6.523 645 HD3 ARG 86 HD3 ARG 86 -18.544 -8.919 6.044 646 HE ARG 86 HE ARG 86 -18.804 -8.359 8.713 647 HH11 ARG 86 HH11 ARG 86 -18.713 -11.420 6.940 648 HH12 ARG 86 HH12 ARG 86 -17.957 -12.335 8.201 649 HH21 ARG 86 HH21 ARG 86 -17.630 -9.619 10.456 650 HH22 ARG 86 HH22 ARG 86 -17.639 -11.320 10.246 651 H GLU 87 H GLU 87 -20.657 -5.032 6.570 652 HA GLU 87 HA GLU 87 -21.047 -2.532 5.320 653 HB2 GLU 87 HB2 GLU 87 -19.137 -1.785 6.685 654 HB3 GLU 87 HB3 GLU 87 -20.341 -2.689 7.628 655 HG2 GLU 87 HG2 GLU 87 -18.738 -4.707 7.165 656 HG3 GLU 87 HG3 GLU 87 -17.540 -3.474 6.778 657 H LYS 88 H LYS 88 -19.391 -1.170 4.183 658 HA LYS 88 HA LYS 88 -17.397 -2.756 2.660 659 HB2 LYS 88 HB2 LYS 88 -19.567 -2.731 1.477 660 HB3 LYS 88 HB3 LYS 88 -19.501 -0.958 1.406 661 HG2 LYS 88 HG2 LYS 88 -17.651 -0.978 -0.070 662 HG3 LYS 88 HG3 LYS 88 -17.192 -2.636 0.384 663 HD2 LYS 88 HD2 LYS 88 -18.144 -2.615 -1.816 664 HD3 LYS 88 HD3 LYS 88 -19.157 -3.546 -0.706 665 HE2 LYS 88 HE2 LYS 88 -20.253 -0.995 -0.553 666 HE3 LYS 88 HE3 LYS 88 -19.741 -1.059 -2.231 667 HZ1 LYS 88 HZ1 LYS 88 -21.494 -3.053 -0.867 668 HZ2 LYS 88 HZ2 LYS 88 -21.125 -3.093 -2.479 669 HZ3 LYS 88 HZ3 LYS 88 -22.006 -1.875 -1.854 670 H LYS 89 H LYS 89 -15.680 -1.825 3.526 671 HA LYS 89 HA LYS 89 -15.349 0.973 4.064 672 HB2 LYS 89 HB2 LYS 89 -13.282 -1.256 4.170 673 HB3 LYS 89 HB3 LYS 89 -13.294 0.273 5.049 674 HG2 LYS 89 HG2 LYS 89 -15.344 -0.511 6.280 675 HG3 LYS 89 HG3 LYS 89 -15.242 -2.054 5.424 676 HD2 LYS 89 HD2 LYS 89 -12.957 -2.405 6.404 677 HD3 LYS 89 HD3 LYS 89 -13.234 -0.952 7.402 678 HE2 LYS 89 HE2 LYS 89 -15.400 -2.010 8.149 679 HE3 LYS 89 HE3 LYS 89 -14.947 -3.482 7.270 680 HZ1 LYS 89 HZ1 LYS 89 -14.400 -3.318 9.750 681 HZ2 LYS 89 HZ2 LYS 89 -13.202 -2.299 9.335 682 HZ3 LYS 89 HZ3 LYS 89 -13.208 -3.860 8.782 683 HA PRO 90 HA PRO 90 -13.635 1.357 -0.201 684 HB2 PRO 90 HB2 PRO 90 -13.791 4.049 -0.457 685 HB3 PRO 90 HB3 PRO 90 -15.253 3.037 -0.518 686 HG2 PRO 90 HG2 PRO 90 -14.189 4.570 1.835 687 HG3 PRO 90 HG3 PRO 90 -15.873 4.504 1.242 688 HD2 PRO 90 HD2 PRO 90 -14.973 2.920 3.326 689 HD3 PRO 90 HD3 PRO 90 -16.225 2.416 2.165 690 H LEU 91 H LEU 91 -11.526 1.565 -0.810 691 HA LEU 91 HA LEU 91 -9.623 3.114 0.914 692 HB2 LEU 91 HB2 LEU 91 -9.100 0.585 -0.698 693 HB3 LEU 91 HB3 LEU 91 -8.012 1.356 0.448 694 HG LEU 91 HG LEU 91 -10.656 0.018 1.210 695 HD11 LEU 91 HD11 LEU 91 -7.836 -1.096 1.271 696 HD12 LEU 91 HD12 LEU 91 -9.172 -1.616 0.214 697 HD13 LEU 91 HD13 LEU 91 -9.283 -1.868 1.962 698 HD21 LEU 91 HD21 LEU 91 -9.742 0.007 3.477 699 HD22 LEU 91 HD22 LEU 91 -9.828 1.668 2.882 700 HD23 LEU 91 HD23 LEU 91 -8.265 0.810 2.926 701 H ARG 92 H ARG 92 -9.385 5.052 -0.369 702 HA ARG 92 HA ARG 92 -8.991 4.725 -3.292 703 HB2 ARG 92 HB2 ARG 92 -9.800 7.028 -1.469 704 HB3 ARG 92 HB3 ARG 92 -9.175 7.292 -3.101 705 HG2 ARG 92 HG2 ARG 92 -10.928 5.920 -4.069 706 HG3 ARG 92 HG3 ARG 92 -11.627 5.583 -2.465 707 HD2 ARG 92 HD2 ARG 92 -12.256 7.834 -2.141 708 HD3 ARG 92 HD3 ARG 92 -11.123 8.407 -3.351 709 HE ARG 92 HE ARG 92 -12.639 7.097 -5.002 710 HH11 ARG 92 HH11 ARG 92 -13.752 9.205 -2.293 711 HH12 ARG 92 HH12 ARG 92 -15.173 9.685 -3.134 712 HH21 ARG 92 HH21 ARG 92 -14.625 7.776 -6.012 713 HH22 ARG 92 HH22 ARG 92 -15.806 8.663 -5.096 714 H TYR 93 H TYR 93 -6.888 4.389 -3.750 715 HA TYR 93 HA TYR 93 -4.783 5.515 -2.056 716 HB2 TYR 93 HB2 TYR 93 -4.658 3.759 -4.510 717 HB3 TYR 93 HB3 TYR 93 -3.312 4.294 -3.496 718 HD1 TYR 93 HD2 TYR 93 -6.457 2.252 -3.421 719 HD2 TYR 93 HD1 TYR 93 -2.654 3.048 -1.597 720 HE1 TYR 93 HE2 TYR 93 -6.930 0.539 -1.658 721 HE2 TYR 93 HE1 TYR 93 -3.118 1.396 0.163 722 HH TYR 93 HH TYR 93 -4.578 -0.232 0.954 723 H GLY 94 H GLY 94 -3.172 7.037 -2.785 724 HA2 GLY 94 HA2 GLY 94 -3.912 8.887 -4.795 725 HA3 GLY 94 HA3 GLY 94 -3.176 8.984 -3.216 726 H LYS 95 H LYS 95 -2.031 10.255 -5.355 727 HA LYS 95 HA LYS 95 -0.054 8.673 -6.791 728 HB2 LYS 95 HB2 LYS 95 -0.956 10.819 -7.584 729 HB3 LYS 95 HB3 LYS 95 -0.125 11.650 -6.252 730 HG2 LYS 95 HG2 LYS 95 1.996 11.313 -7.188 731 HG3 LYS 95 HG3 LYS 95 1.442 9.870 -8.028 732 HD2 LYS 95 HD2 LYS 95 1.907 11.312 -9.709 733 HD3 LYS 95 HD3 LYS 95 0.140 11.273 -9.609 734 HE2 LYS 95 HE2 LYS 95 0.116 13.437 -8.493 735 HE3 LYS 95 HE3 LYS 95 1.883 13.417 -8.350 736 HZ1 LYS 95 HZ1 LYS 95 1.524 14.708 -10.239 737 HZ2 LYS 95 HZ2 LYS 95 0.226 13.863 -10.702 738 HZ3 LYS 95 HZ3 LYS 95 1.749 13.226 -10.924 739 H VAL 96 H VAL 96 2.352 8.918 -6.434 740 HA VAL 96 HA VAL 96 2.957 9.156 -3.553 741 HB VAL 96 HB VAL 96 4.151 7.318 -5.664 742 HG11 VAL 96 HG11 VAL 96 5.314 6.253 -3.793 743 HG12 VAL 96 HG12 VAL 96 5.809 7.940 -3.905 744 HG13 VAL 96 HG13 VAL 96 4.641 7.448 -2.651 745 HG21 VAL 96 HG21 VAL 96 2.345 6.690 -3.267 746 HG22 VAL 96 HG22 VAL 96 1.880 6.575 -4.976 747 HG23 VAL 96 HG23 VAL 96 3.120 5.503 -4.328 748 H TYR 97 H TYR 97 4.775 10.176 -2.921 749 HA TYR 97 HA TYR 97 6.281 11.731 -4.934 750 HB2 TYR 97 HB2 TYR 97 5.564 12.727 -2.119 751 HB3 TYR 97 HB3 TYR 97 6.203 13.647 -3.447 752 HD1 TYR 97 HD2 TYR 97 3.176 12.045 -1.983 753 HD2 TYR 97 HD1 TYR 97 4.731 14.499 -5.144 754 HE1 TYR 97 HE2 TYR 97 0.865 12.736 -2.549 755 HE2 TYR 97 HE1 TYR 97 2.402 15.113 -5.827 756 HH TYR 97 HH TYR 97 0.043 14.523 -5.553 757 H SER 98 H SER 98 8.503 12.358 -3.960 758 HA SER 98 HA SER 98 9.529 10.101 -2.284 759 HB2 SER 98 HB2 SER 98 10.173 10.224 -4.627 760 HB3 SER 98 HB3 SER 98 11.231 11.612 -4.276 761 HG SER 98 HG SER 98 12.524 10.208 -3.232 762 H THR 99 H THR 99 10.636 10.570 -0.671 763 HA THR 99 HA THR 99 10.212 13.101 0.669 764 HB THR 99 HB THR 99 11.866 11.962 2.408 765 HG1 THR 99 HG1 THR 99 12.600 10.110 1.749 766 HG21 THR 99 HG21 THR 99 9.235 10.577 1.734 767 HG22 THR 99 HG22 THR 99 9.370 12.096 2.663 768 HG23 THR 99 HG23 THR 99 10.070 10.603 3.297 769 H ASN 100 H ASN 100 12.015 14.122 1.868 770 HA ASN 100 HA ASN 100 13.717 15.538 0.045 771 HB2 ASN 100 HB2 ASN 100 14.410 16.657 2.264 772 HB3 ASN 100 HB3 ASN 100 12.756 16.847 1.714 773 HD21 ASN 100 HD21 ASN 100 14.709 15.673 4.375 774 HD22 ASN 100 HD22 ASN 100 13.346 15.148 5.329 775 H GLU 101 H GLU 101 14.786 13.593 -0.712 776 HA GLU 101 HA GLU 101 17.262 12.970 0.719 777 HB2 GLU 101 HB2 GLU 101 15.370 11.031 -0.582 778 HB3 GLU 101 HB3 GLU 101 17.120 10.755 -0.484 779 HG2 GLU 101 HG2 GLU 101 17.095 10.219 1.711 780 HG3 GLU 101 HG3 GLU 101 15.962 11.502 2.117 781 H ASP 102 H ASP 102 18.216 14.199 -0.351 782 HA ASP 102 HA ASP 102 18.184 14.861 -3.238 783 HB2 ASP 102 HB2 ASP 102 19.973 16.467 -2.645 784 HB3 ASP 102 HB3 ASP 102 18.551 16.647 -1.637 785 H SER 103 H SER 103 19.093 12.196 -1.833 786 HA SER 103 HA SER 103 21.672 11.686 -3.206 787 HB2 SER 103 HB2 SER 103 20.416 10.648 -0.612 788 HB3 SER 103 HB3 SER 103 21.899 9.999 -1.330 789 HG SER 103 HG SER 103 21.522 12.724 -0.550 790 H ASP 104 H ASP 104 21.869 9.279 -3.655 791 HA ASP 104 HA ASP 104 19.587 8.352 -5.178 792 HB2 ASP 104 HB2 ASP 104 22.282 8.163 -5.478 793 HB3 ASP 104 HB3 ASP 104 22.015 6.616 -4.711 794 H ALA 105 H ALA 105 19.868 8.252 -1.984 795 HA ALA 105 HA ALA 105 19.635 5.583 -1.086 796 HB1 ALA 105 HB1 ALA 105 20.066 7.500 0.401 797 HB2 ALA 105 HB2 ALA 105 18.456 8.157 0.082 798 HB3 ALA 105 HB3 ALA 105 18.614 6.614 0.939 799 H LYS 106 H LYS 106 16.895 7.912 -1.277 800 HA LYS 106 HA LYS 106 14.684 7.625 -1.696 801 HB2 LYS 106 HB2 LYS 106 16.168 6.415 -3.852 802 HB3 LYS 106 HB3 LYS 106 14.782 5.427 -3.621 803 HG2 LYS 106 HG2 LYS 106 14.163 8.340 -3.617 804 HG3 LYS 106 HG3 LYS 106 14.977 7.790 -5.060 805 HD2 LYS 106 HD2 LYS 106 12.568 7.783 -5.356 806 HD3 LYS 106 HD3 LYS 106 13.193 6.147 -5.514 807 HE2 LYS 106 HE2 LYS 106 12.140 7.135 -2.853 808 HE3 LYS 106 HE3 LYS 106 11.017 6.680 -4.143 809 HZ1 LYS 106 HZ1 LYS 106 11.958 4.496 -4.217 810 HZ2 LYS 106 HZ2 LYS 106 11.464 4.821 -2.708 811 HZ3 LYS 106 HZ3 LYS 106 13.060 4.855 -3.047 812 H ASP 107 H ASP 107 15.493 6.502 0.728 813 HA ASP 107 HA ASP 107 14.503 3.713 0.771 814 HB2 ASP 107 HB2 ASP 107 15.075 5.268 3.260 815 HB3 ASP 107 HB3 ASP 107 15.127 3.507 2.928 816 H GLU 108 H GLU 108 13.304 6.967 1.280 817 HA GLU 108 HA GLU 108 10.778 5.834 2.376 818 HB2 GLU 108 HB2 GLU 108 12.548 8.038 3.301 819 HB3 GLU 108 HB3 GLU 108 10.753 8.293 3.379 820 HG2 GLU 108 HG2 GLU 108 10.496 6.283 4.733 821 HG3 GLU 108 HG3 GLU 108 12.244 6.057 4.769 822 H ILE 109 H ILE 109 9.018 6.958 1.778 823 HA ILE 109 HA ILE 109 9.046 8.841 -0.485 824 HB ILE 109 HB ILE 109 7.535 7.419 -1.866 825 HG12 ILE 109 HG12 ILE 109 7.965 4.794 -1.233 826 HG13 ILE 109 HG13 ILE 109 7.891 5.452 0.391 827 HG21 ILE 109 HG21 ILE 109 10.157 6.007 -1.392 828 HG22 ILE 109 HG22 ILE 109 9.175 6.042 -2.864 829 HG23 ILE 109 HG23 ILE 109 9.962 7.534 -2.298 830 HD11 ILE 109 HD11 ILE 109 5.800 5.461 -1.776 831 HD12 ILE 109 HD12 ILE 109 5.695 4.918 -0.102 832 HD13 ILE 109 HD13 ILE 109 5.709 6.646 -0.459 833 H ILE 110 H ILE 110 6.550 9.479 -0.963 834 HA ILE 110 HA ILE 110 5.034 9.290 1.582 835 HB ILE 110 HB ILE 110 5.103 11.670 -0.275 836 HG12 ILE 110 HG12 ILE 110 6.793 11.096 2.186 837 HG13 ILE 110 HG13 ILE 110 7.349 11.446 0.548 838 HG21 ILE 110 HG21 ILE 110 3.099 11.284 1.241 839 HG22 ILE 110 HG22 ILE 110 4.199 11.470 2.621 840 HG23 ILE 110 HG23 ILE 110 3.950 12.808 1.480 841 HD11 ILE 110 HD11 ILE 110 6.143 13.700 0.827 842 HD12 ILE 110 HD12 ILE 110 6.275 13.344 2.574 843 HD13 ILE 110 HD13 ILE 110 7.734 13.427 1.576 844 H VAL 111 H VAL 111 3.366 8.046 1.241 845 HA VAL 111 HA VAL 111 2.082 7.619 -1.354 846 HB VAL 111 HB VAL 111 1.814 6.557 1.484 847 HG11 VAL 111 HG11 VAL 111 0.341 5.541 -0.953 848 HG12 VAL 111 HG12 VAL 111 0.430 4.704 0.615 849 HG13 VAL 111 HG13 VAL 111 -0.361 6.257 0.509 850 HG21 VAL 111 HG21 VAL 111 3.861 5.897 0.556 851 HG22 VAL 111 HG22 VAL 111 2.826 4.511 0.700 852 HG23 VAL 111 HG23 VAL 111 3.076 5.240 -0.912 853 H GLU 112 H GLU 112 0.107 8.694 -1.905 854 HA GLU 112 HA GLU 112 -1.206 10.284 0.214 855 HB2 GLU 112 HB2 GLU 112 -0.994 11.249 -2.005 856 HB3 GLU 112 HB3 GLU 112 -1.593 9.895 -2.684 857 HG2 GLU 112 HG2 GLU 112 -3.869 10.395 -1.420 858 HG3 GLU 112 HG3 GLU 112 -3.186 11.925 -0.969 859 H PHE 113 H PHE 113 -3.297 9.689 1.035 860 HA PHE 113 HA PHE 113 -4.734 7.416 -0.096 861 HB2 PHE 113 HB2 PHE 113 -3.116 6.578 1.698 862 HB3 PHE 113 HB3 PHE 113 -4.019 7.532 2.852 863 HD1 PHE 113 HD2 PHE 113 -5.161 5.297 -0.009 864 HD2 PHE 113 HD1 PHE 113 -5.132 5.998 4.236 865 HE1 PHE 113 HE2 PHE 113 -6.809 3.525 0.255 866 HE2 PHE 113 HE1 PHE 113 -6.858 4.240 4.511 867 HZ PHE 113 HZ PHE 113 -7.726 3.012 2.548 868 H ASN 114 H ASN 114 -6.834 8.028 -0.202 869 HA ASN 114 HA ASN 114 -8.664 9.294 -0.029 870 HB2 ASN 114 HB2 ASN 114 -8.183 9.279 2.951 871 HB3 ASN 114 HB3 ASN 114 -9.715 9.447 2.142 872 HD21 ASN 114 HD21 ASN 114 -10.453 7.337 0.879 873 HD22 ASN 114 HD22 ASN 114 -9.994 5.874 1.747 874 H ARG 115 H ARG 115 -6.854 10.905 -0.932 875 HA ARG 115 HA ARG 115 -6.292 13.025 -1.280 876 HB2 ARG 115 HB2 ARG 115 -8.331 13.970 0.741 877 HB3 ARG 115 HB3 ARG 115 -7.719 14.768 -0.694 878 HG2 ARG 115 HG2 ARG 115 -9.591 14.093 -1.713 879 HG3 ARG 115 HG3 ARG 115 -8.777 12.537 -1.843 880 HD2 ARG 115 HD2 ARG 115 -11.082 12.271 -1.069 881 HD3 ARG 115 HD3 ARG 115 -9.955 11.713 0.145 882 HE ARG 115 HE ARG 115 -10.939 14.478 0.385 883 HH11 ARG 115 HH11 ARG 115 -11.287 11.101 1.555 884 HH12 ARG 115 HH12 ARG 115 -11.972 11.612 3.053 885 HH21 ARG 115 HH21 ARG 115 -12.051 15.037 2.365 886 HH22 ARG 115 HH22 ARG 115 -12.557 13.798 3.433 887 H GLU 116 H GLU 116 -5.246 11.681 1.581 888 HA GLU 116 HA GLU 116 -3.857 14.178 2.421 889 HB2 GLU 116 HB2 GLU 116 -4.917 11.779 3.926 890 HB3 GLU 116 HB3 GLU 116 -3.551 12.699 4.555 891 HG2 GLU 116 HG2 GLU 116 -4.859 14.711 4.732 892 HG3 GLU 116 HG3 GLU 116 -6.230 13.958 3.891 893 H TYR 117 H TYR 117 -1.688 13.921 2.763 894 HA TYR 117 HA TYR 117 -0.366 11.660 1.380 895 HB2 TYR 117 HB2 TYR 117 0.731 14.292 2.379 896 HB3 TYR 117 HB3 TYR 117 1.578 13.117 1.376 897 HD1 TYR 117 HD1 TYR 117 -1.252 12.692 -0.301 898 HD2 TYR 117 HD2 TYR 117 1.328 15.969 0.709 899 HE1 TYR 117 HE1 TYR 117 -2.001 13.864 -2.340 900 HE2 TYR 117 HE2 TYR 117 0.568 17.136 -1.355 901 HH TYR 117 HH TYR 117 -1.823 15.831 -3.600 902 H TYR 118 H TYR 118 0.788 10.151 2.368 903 HA TYR 118 HA TYR 118 1.459 10.520 5.261 904 HB2 TYR 118 HB2 TYR 118 0.406 8.048 3.867 905 HB3 TYR 118 HB3 TYR 118 1.039 8.090 5.510 906 HD1 TYR 118 HD1 TYR 118 -1.713 9.272 3.304 907 HD2 TYR 118 HD2 TYR 118 -0.280 8.932 7.363 908 HE1 TYR 118 HE1 TYR 118 -3.962 9.762 4.126 909 HE2 TYR 118 HE2 TYR 118 -2.537 9.443 8.212 910 HH TYR 118 HH TYR 118 -5.364 9.900 6.061 911 H ARG 119 H ARG 119 3.498 10.308 5.717 912 HA ARG 119 HA ARG 119 5.464 9.632 3.683 913 HB2 ARG 119 HB2 ARG 119 5.830 11.359 5.403 914 HB3 ARG 119 HB3 ARG 119 5.791 10.140 6.681 915 HG2 ARG 119 HG2 ARG 119 7.663 9.554 4.452 916 HG3 ARG 119 HG3 ARG 119 8.032 11.075 5.262 917 HD2 ARG 119 HD2 ARG 119 7.695 8.425 6.721 918 HD3 ARG 119 HD3 ARG 119 9.231 9.061 6.155 919 HE ARG 119 HE ARG 119 7.562 10.758 7.943 920 HH11 ARG 119 HH11 ARG 119 10.802 9.414 7.301 921 HH12 ARG 119 HH12 ARG 119 11.415 9.886 8.831 922 HH21 ARG 119 HH21 ARG 119 8.296 10.974 10.118 923 HH22 ARG 119 HH22 ARG 119 9.864 10.361 10.543 924 H ALA 120 H ALA 120 6.301 7.661 3.297 925 HA ALA 120 HA ALA 120 5.631 5.431 5.082 926 HB1 ALA 120 HB1 ALA 120 4.292 5.472 2.976 927 HB2 ALA 120 HB2 ALA 120 5.817 5.420 2.062 928 HB3 ALA 120 HB3 ALA 120 5.368 4.064 3.116 929 H VAL 121 H VAL 121 7.259 3.662 4.902 930 HA VAL 121 HA VAL 121 9.942 4.459 3.859 931 HB VAL 121 HB VAL 121 9.671 4.950 6.221 932 HG11 VAL 121 HG11 VAL 121 9.393 3.430 7.938 933 HG12 VAL 121 HG12 VAL 121 7.998 3.778 6.918 934 HG13 VAL 121 HG13 VAL 121 8.853 2.196 6.756 935 HG21 VAL 121 HG21 VAL 121 11.646 4.003 7.106 936 HG22 VAL 121 HG22 VAL 121 11.442 2.511 6.155 937 HG23 VAL 121 HG23 VAL 121 11.919 4.024 5.358 938 H LEU 122 H LEU 122 11.310 2.910 3.129 939 HA LEU 122 HA LEU 122 10.188 0.589 2.051 940 HB2 LEU 122 HB2 LEU 122 12.128 2.007 1.263 941 HB3 LEU 122 HB3 LEU 122 13.171 1.220 2.462 942 HG LEU 122 HG LEU 122 12.703 -0.959 1.358 943 HD11 LEU 122 HD11 LEU 122 11.021 0.782 -0.463 944 HD12 LEU 122 HD12 LEU 122 10.509 -0.700 0.375 945 HD13 LEU 122 HD13 LEU 122 11.613 -0.794 -1.001 946 HD21 LEU 122 HD21 LEU 122 13.681 1.251 -0.495 947 HD22 LEU 122 HD22 LEU 122 13.797 -0.459 -0.887 948 HD23 LEU 122 HD23 LEU 122 14.656 0.173 0.517 949 H ILE 123 H ILE 123 9.712 -1.340 2.969 950 HA ILE 123 HA ILE 123 10.530 -1.861 5.753 951 HB ILE 123 HB ILE 123 8.694 -3.271 3.775 952 HG12 ILE 123 HG12 ILE 123 7.896 -2.001 6.400 953 HG13 ILE 123 HG13 ILE 123 8.155 -0.966 4.997 954 HG21 ILE 123 HG21 ILE 123 7.903 -4.644 5.700 955 HG22 ILE 123 HG22 ILE 123 9.580 -4.994 5.319 956 HG23 ILE 123 HG23 ILE 123 9.195 -3.961 6.711 957 HD11 ILE 123 HD11 ILE 123 6.331 -3.368 4.821 958 HD12 ILE 123 HD12 ILE 123 5.765 -1.749 5.286 959 HD13 ILE 123 HD13 ILE 123 6.532 -2.004 3.709 960 H LYS 124 H LYS 124 10.756 -3.424 2.576 961 HA LYS 124 HA LYS 124 12.177 -5.738 3.218 962 HB2 LYS 124 HB2 LYS 124 13.062 -5.237 0.786 963 HB3 LYS 124 HB3 LYS 124 11.426 -5.805 1.091 964 HG2 LYS 124 HG2 LYS 124 10.514 -3.625 0.741 965 HG3 LYS 124 HG3 LYS 124 12.109 -2.875 0.829 966 HD2 LYS 124 HD2 LYS 124 11.309 -4.747 -1.416 967 HD3 LYS 124 HD3 LYS 124 11.048 -3.002 -1.409 968 HE2 LYS 124 HE2 LYS 124 13.148 -2.749 -2.267 969 HE3 LYS 124 HE3 LYS 124 13.728 -3.160 -0.660 970 HZ1 LYS 124 HZ1 LYS 124 13.426 -4.967 -2.963 971 HZ2 LYS 124 HZ2 LYS 124 13.681 -5.497 -1.392 972 HZ3 LYS 124 HZ3 LYS 124 14.771 -4.509 -2.163 973 H ASN 125 H ASN 125 13.344 -2.493 3.125 974 HA ASN 125 HA ASN 125 16.153 -2.787 2.912 975 HB2 ASN 125 HB2 ASN 125 14.875 -0.736 2.583 976 HB3 ASN 125 HB3 ASN 125 14.235 -0.817 4.218 977 HD21 ASN 125 HD21 ASN 125 17.099 0.244 2.329 978 HD22 ASN 125 HD22 ASN 125 17.605 1.206 3.698 979 H GLU 126 H GLU 126 13.913 -3.174 5.635 980 HA GLU 126 HA GLU 126 16.145 -3.534 7.566 981 HB2 GLU 126 HB2 GLU 126 14.602 -3.214 9.301 982 HB3 GLU 126 HB3 GLU 126 14.401 -1.885 8.142 983 HG2 GLU 126 HG2 GLU 126 12.316 -2.650 7.439 984 HG3 GLU 126 HG3 GLU 126 12.607 -4.317 7.995 985 H LYS 127 H LYS 127 14.531 -5.349 5.554 986 HA LYS 127 HA LYS 127 13.919 -7.690 7.330 987 HB2 LYS 127 HB2 LYS 127 13.520 -7.392 4.335 988 HB3 LYS 127 HB3 LYS 127 13.233 -8.874 5.272 989 HG2 LYS 127 HG2 LYS 127 11.778 -7.404 6.814 990 HG3 LYS 127 HG3 LYS 127 11.792 -6.215 5.522 991 HD2 LYS 127 HD2 LYS 127 10.093 -7.320 4.485 992 HD3 LYS 127 HD3 LYS 127 11.114 -8.753 4.338 993 HE2 LYS 127 HE2 LYS 127 9.263 -9.508 5.582 994 HE3 LYS 127 HE3 LYS 127 10.545 -9.282 6.772 995 HZ1 LYS 127 HZ1 LYS 127 8.227 -7.521 6.289 996 HZ2 LYS 127 HZ2 LYS 127 9.504 -7.104 7.300 997 HZ3 LYS 127 HZ3 LYS 127 8.554 -8.375 7.637 998 H GLU 128 H GLU 128 16.283 -6.858 7.676 999 HA GLU 128 HA GLU 128 18.128 -8.967 6.728 1000 HB2 GLU 128 HB2 GLU 128 18.456 -5.934 6.711 1001 HB3 GLU 128 HB3 GLU 128 19.856 -6.982 6.867 1002 HG2 GLU 128 HG2 GLU 128 17.936 -7.461 4.561 1003 HG3 GLU 128 HG3 GLU 128 19.048 -6.097 4.505 Start of MODEL 9 1 H1 GLY 1 H GLY 1 22.777 -6.830 -26.987 2 HA2 GLY 1 HA2 GLY 1 23.978 -7.755 -29.538 3 HA3 GLY 1 HA3 GLY 1 24.805 -6.707 -28.373 4 H SER 2 H SER 2 25.095 -7.641 -26.099 5 HA SER 2 HA SER 2 26.265 -10.266 -26.264 6 HB2 SER 2 HB2 SER 2 26.936 -8.327 -24.732 7 HB3 SER 2 HB3 SER 2 25.472 -8.639 -23.792 8 HG SER 2 HG SER 2 26.328 -10.736 -23.325 9 H THR 3 H THR 3 25.560 -12.047 -24.802 10 HA THR 3 HA THR 3 22.639 -12.219 -24.295 11 HB THR 3 HB THR 3 22.835 -14.619 -25.035 12 HG1 THR 3 HG1 THR 3 25.338 -13.668 -25.971 13 HG21 THR 3 HG21 THR 3 21.832 -12.911 -26.520 14 HG22 THR 3 HG22 THR 3 22.669 -14.180 -27.428 15 HG23 THR 3 HG23 THR 3 23.426 -12.587 -27.234 16 H MET 4 H MET 4 22.461 -14.454 -22.837 17 HA MET 4 HA MET 4 24.603 -14.686 -20.894 18 HB2 MET 4 HB2 MET 4 23.282 -12.743 -20.090 19 HB3 MET 4 HB3 MET 4 21.793 -13.684 -20.209 20 HG2 MET 4 HG2 MET 4 22.620 -15.242 -18.494 21 HG3 MET 4 HG3 MET 4 24.140 -14.349 -18.385 22 HE1 MET 4 HE1 MET 4 24.453 -12.070 -17.192 23 HE2 MET 4 HE2 MET 4 23.348 -11.286 -18.344 24 HE3 MET 4 HE3 MET 4 23.126 -11.047 -16.603 25 H HIS 5 H HIS 5 24.265 -16.731 -19.770 26 HA HIS 5 HA HIS 5 22.313 -18.527 -21.140 27 HB2 HIS 5 HB2 HIS 5 24.815 -19.325 -19.624 28 HB3 HIS 5 HB3 HIS 5 23.811 -20.327 -20.664 29 HD1 HIS 5 HD1 HIS 5 26.236 -17.350 -20.889 30 HD2 HIS 5 HD2 HIS 5 24.496 -20.375 -23.244 31 HE1 HIS 5 HE1 HIS 5 27.387 -17.219 -23.182 32 H PHE 6 H PHE 6 23.930 -18.006 -17.963 33 HA PHE 6 HA PHE 6 21.401 -18.613 -16.539 34 HB2 PHE 6 HB2 PHE 6 24.197 -19.643 -15.907 35 HB3 PHE 6 HB3 PHE 6 22.806 -19.808 -14.856 36 HD1 PHE 6 HD2 PHE 6 20.910 -21.324 -15.442 37 HD2 PHE 6 HD1 PHE 6 24.477 -21.101 -17.853 38 HE1 PHE 6 HE2 PHE 6 20.299 -23.456 -16.536 39 HE2 PHE 6 HE1 PHE 6 23.863 -23.237 -18.950 40 HZ PHE 6 HZ PHE 6 21.776 -24.425 -18.293 41 H THR 7 H THR 7 21.689 -17.841 -14.195 42 HA THR 7 HA THR 7 23.269 -15.320 -14.111 43 HB THR 7 HB THR 7 20.843 -14.954 -14.569 44 HG1 THR 7 HG1 THR 7 20.581 -13.429 -12.924 45 HG21 THR 7 HG21 THR 7 20.433 -16.138 -11.774 46 HG22 THR 7 HG22 THR 7 19.858 -16.830 -13.307 47 HG23 THR 7 HG23 THR 7 19.230 -15.292 -12.744 48 H ASP 8 H ASP 8 22.978 -14.570 -11.657 49 HA ASP 8 HA ASP 8 23.418 -16.704 -9.719 50 HB2 ASP 8 HB2 ASP 8 25.556 -14.772 -10.661 51 HB3 ASP 8 HB3 ASP 8 25.542 -15.336 -9.000 52 H ASP 9 H ASP 9 21.722 -14.327 -10.487 53 HA ASP 9 HA ASP 9 21.568 -13.104 -7.766 54 HB2 ASP 9 HB2 ASP 9 21.028 -10.968 -8.559 55 HB3 ASP 9 HB3 ASP 9 22.479 -11.468 -9.415 56 H ASN 10 H ASN 10 19.478 -12.299 -7.133 57 HA ASN 10 HA ASN 10 17.059 -13.242 -8.386 58 HB2 ASN 10 HB2 ASN 10 17.884 -15.292 -7.184 59 HB3 ASN 10 HB3 ASN 10 17.960 -14.347 -5.686 60 HD21 ASN 10 HD21 ASN 10 16.489 -16.135 -4.917 61 HD22 ASN 10 HD22 ASN 10 14.761 -15.918 -5.206 62 H GLU 11 H GLU 11 15.250 -12.312 -7.179 63 HA GLU 11 HA GLU 11 15.827 -9.678 -6.146 64 HB2 GLU 11 HB2 GLU 11 13.183 -11.222 -6.234 65 HB3 GLU 11 HB3 GLU 11 13.361 -9.484 -6.048 66 HG2 GLU 11 HG2 GLU 11 13.901 -11.181 -8.493 67 HG3 GLU 11 HG3 GLU 11 12.730 -9.868 -8.317 68 H ASN 12 H ASN 12 14.973 -8.826 -4.201 69 HA ASN 12 HA ASN 12 14.654 -10.685 -1.878 70 HB2 ASN 12 HB2 ASN 12 16.275 -8.096 -1.927 71 HB3 ASN 12 HB3 ASN 12 15.876 -9.018 -0.486 72 HD21 ASN 12 HD21 ASN 12 17.861 -8.932 -3.361 73 HD22 ASN 12 HD22 ASN 12 18.914 -10.268 -2.959 74 H ASP 13 H ASP 13 12.971 -8.937 -3.819 75 HA ASP 13 HA ASP 13 11.686 -6.918 -2.144 76 HB2 ASP 13 HB2 ASP 13 11.146 -7.992 -4.955 77 HB3 ASP 13 HB3 ASP 13 10.201 -6.712 -4.184 78 H THR 14 H THR 14 9.260 -6.951 -1.986 79 HA THR 14 HA THR 14 8.488 -9.417 -0.729 80 HB THR 14 HB THR 14 7.697 -7.141 0.034 81 HG1 THR 14 HG1 THR 14 5.429 -8.026 0.172 82 HG21 THR 14 HG21 THR 14 5.923 -7.250 -2.430 83 HG22 THR 14 HG22 THR 14 7.190 -6.052 -2.139 84 HG23 THR 14 HG23 THR 14 5.753 -6.125 -1.106 85 H SER 15 H SER 15 7.799 -7.882 -3.894 86 HA SER 15 HA SER 15 6.857 -8.559 -5.750 87 HB2 SER 15 HB2 SER 15 8.838 -10.115 -5.503 88 HB3 SER 15 HB3 SER 15 7.679 -11.388 -5.073 89 HG SER 15 HG SER 15 8.355 -11.123 -7.342 90 H GLU 16 H GLU 16 5.007 -7.937 -4.123 91 HA GLU 16 HA GLU 16 2.862 -9.937 -4.435 92 HB2 GLU 16 HB2 GLU 16 2.046 -9.719 -2.297 93 HB3 GLU 16 HB3 GLU 16 3.787 -9.822 -2.056 94 HG2 GLU 16 HG2 GLU 16 3.808 -7.293 -1.822 95 HG3 GLU 16 HG3 GLU 16 2.044 -7.366 -1.754 96 H THR 17 H THR 17 0.701 -8.413 -3.765 97 HA THR 17 HA THR 17 0.962 -5.951 -5.399 98 HB THR 17 HB THR 17 0.107 -7.871 -6.750 99 HG1 THR 17 HG1 THR 17 -1.163 -6.579 -7.739 100 HG21 THR 17 HG21 THR 17 -2.185 -8.701 -6.297 101 HG22 THR 17 HG22 THR 17 -2.253 -7.724 -4.816 102 HG23 THR 17 HG23 THR 17 -1.110 -9.069 -4.933 103 H MET 18 H MET 18 -0.875 -4.497 -5.053 104 HA MET 18 HA MET 18 -1.258 -3.811 -2.355 105 HB2 MET 18 HB2 MET 18 -2.616 -3.116 -4.977 106 HB3 MET 18 HB3 MET 18 -3.363 -2.574 -3.480 107 HG2 MET 18 HG2 MET 18 -0.449 -2.098 -3.560 108 HG3 MET 18 HG3 MET 18 -1.325 -1.269 -4.832 109 HE1 MET 18 HE1 MET 18 -2.670 -0.637 -0.443 110 HE2 MET 18 HE2 MET 18 -3.012 -2.091 -1.367 111 HE3 MET 18 HE3 MET 18 -1.350 -1.754 -0.821 112 H GLU 19 H GLU 19 -3.395 -5.746 -4.528 113 HA GLU 19 HA GLU 19 -5.505 -5.976 -2.674 114 HB2 GLU 19 HB2 GLU 19 -4.668 -7.831 -4.938 115 HB3 GLU 19 HB3 GLU 19 -6.099 -8.081 -3.926 116 HG2 GLU 19 HG2 GLU 19 -6.681 -5.599 -4.507 117 HG3 GLU 19 HG3 GLU 19 -5.539 -5.813 -5.844 118 H SER 20 H SER 20 -2.440 -7.856 -2.856 119 HA SER 20 HA SER 20 -3.362 -9.944 -1.110 120 HB2 SER 20 HB2 SER 20 -1.344 -9.904 -2.758 121 HB3 SER 20 HB3 SER 20 -0.454 -9.193 -1.400 122 HG SER 20 HG SER 20 -2.017 -11.502 -0.955 123 H LEU 21 H LEU 21 -1.983 -6.754 -0.598 124 HA LEU 21 HA LEU 21 -1.477 -7.153 2.244 125 HB2 LEU 21 HB2 LEU 21 -2.073 -4.505 0.808 126 HB3 LEU 21 HB3 LEU 21 -1.267 -4.734 2.334 127 HG LEU 21 HG LEU 21 -0.223 -5.269 -0.461 128 HD11 LEU 21 HD11 LEU 21 -0.176 -3.029 0.386 129 HD12 LEU 21 HD12 LEU 21 1.489 -3.640 0.330 130 HD13 LEU 21 HD13 LEU 21 0.639 -3.516 1.879 131 HD21 LEU 21 HD21 LEU 21 0.602 -7.157 0.690 132 HD22 LEU 21 HD22 LEU 21 0.928 -6.250 2.186 133 HD23 LEU 21 HD23 LEU 21 1.910 -5.956 0.710 134 H ILE 22 H ILE 22 -3.982 -5.438 0.348 135 HA ILE 22 HA ILE 22 -5.629 -4.723 2.494 136 HB ILE 22 HB ILE 22 -6.390 -5.357 -0.397 137 HG12 ILE 22 HG12 ILE 22 -5.856 -2.640 0.911 138 HG13 ILE 22 HG13 ILE 22 -4.659 -3.523 -0.021 139 HG21 ILE 22 HG21 ILE 22 -8.385 -3.886 0.165 140 HG22 ILE 22 HG22 ILE 22 -8.329 -5.410 1.043 141 HG23 ILE 22 HG23 ILE 22 -7.826 -3.932 1.869 142 HD11 ILE 22 HD11 ILE 22 -7.288 -2.405 -1.062 143 HD12 ILE 22 HD12 ILE 22 -5.639 -1.949 -1.517 144 HD13 ILE 22 HD13 ILE 22 -6.276 -3.537 -1.983 145 H ASP 23 H ASP 23 -5.716 -7.711 0.508 146 HA ASP 23 HA ASP 23 -8.032 -8.939 1.560 147 HB2 ASP 23 HB2 ASP 23 -6.984 -9.850 -0.369 148 HB3 ASP 23 HB3 ASP 23 -5.424 -10.004 0.456 149 H LYS 24 H LYS 24 -4.755 -8.735 2.903 150 HA LYS 24 HA LYS 24 -5.557 -10.564 5.125 151 HB2 LYS 24 HB2 LYS 24 -3.348 -11.005 5.246 152 HB3 LYS 24 HB3 LYS 24 -3.167 -10.105 3.776 153 HG2 LYS 24 HG2 LYS 24 -1.580 -9.059 5.041 154 HG3 LYS 24 HG3 LYS 24 -2.897 -7.998 5.374 155 HD2 LYS 24 HD2 LYS 24 -3.127 -10.107 7.293 156 HD3 LYS 24 HD3 LYS 24 -1.406 -9.736 7.185 157 HE2 LYS 24 HE2 LYS 24 -1.784 -7.479 7.995 158 HE3 LYS 24 HE3 LYS 24 -3.504 -7.572 7.597 159 HZ1 LYS 24 HZ1 LYS 24 -2.128 -8.913 9.803 160 HZ2 LYS 24 HZ2 LYS 24 -3.665 -9.288 9.358 161 HZ3 LYS 24 HZ3 LYS 24 -3.301 -7.749 9.873 162 H GLY 25 H GLY 25 -5.520 -7.176 4.417 163 HA2 GLY 25 HA2 GLY 25 -6.571 -5.550 5.790 164 HA3 GLY 25 HA3 GLY 25 -6.305 -6.551 7.215 165 H LYS 26 H LYS 26 -3.849 -5.762 4.717 166 HA LYS 26 HA LYS 26 -2.184 -4.503 6.825 167 HB2 LYS 26 HB2 LYS 26 -1.522 -5.880 4.255 168 HB3 LYS 26 HB3 LYS 26 -0.513 -4.512 4.783 169 HG2 LYS 26 HG2 LYS 26 -0.171 -5.619 6.960 170 HG3 LYS 26 HG3 LYS 26 -0.991 -7.039 6.315 171 HD2 LYS 26 HD2 LYS 26 1.377 -5.896 4.839 172 HD3 LYS 26 HD3 LYS 26 1.662 -6.874 6.272 173 HE2 LYS 26 HE2 LYS 26 -0.154 -7.929 4.109 174 HE3 LYS 26 HE3 LYS 26 1.579 -7.926 3.816 175 HZ1 LYS 26 HZ1 LYS 26 1.974 -9.419 5.452 176 HZ2 LYS 26 HZ2 LYS 26 0.570 -9.972 4.852 177 HZ3 LYS 26 HZ3 LYS 26 0.607 -9.167 6.302 178 H LEU 27 H LEU 27 -3.764 -2.641 6.759 179 HA LEU 27 HA LEU 27 -3.608 -0.981 4.302 180 HB2 LEU 27 HB2 LEU 27 -5.208 -0.500 6.836 181 HB3 LEU 27 HB3 LEU 27 -5.217 0.495 5.405 182 HG LEU 27 HG LEU 27 -7.184 -0.714 5.256 183 HD11 LEU 27 HD11 LEU 27 -5.888 -0.726 3.115 184 HD12 LEU 27 HD12 LEU 27 -6.981 -2.120 3.281 185 HD13 LEU 27 HD13 LEU 27 -5.241 -2.329 3.545 186 HD21 LEU 27 HD21 LEU 27 -7.481 -3.074 5.501 187 HD22 LEU 27 HD22 LEU 27 -6.599 -2.515 6.934 188 HD23 LEU 27 HD23 LEU 27 -5.749 -3.350 5.623 189 H ASP 28 H ASP 28 -1.723 -1.387 6.996 190 HA ASP 28 HA ASP 28 -1.026 1.498 7.350 191 HB2 ASP 28 HB2 ASP 28 -0.142 -1.015 8.801 192 HB3 ASP 28 HB3 ASP 28 0.752 0.461 8.941 193 H GLN 29 H GLN 29 -0.452 -0.642 4.984 194 HA GLN 29 HA GLN 29 2.061 0.578 4.274 195 HB2 GLN 29 HB2 GLN 29 3.143 -1.656 3.850 196 HB3 GLN 29 HB3 GLN 29 2.939 -1.188 5.535 197 HG2 GLN 29 HG2 GLN 29 0.789 -2.715 5.429 198 HG3 GLN 29 HG3 GLN 29 1.588 -3.357 3.974 199 HE21 GLN 29 HE21 GLN 29 4.272 -3.176 4.753 200 HE22 GLN 29 HE22 GLN 29 4.543 -4.290 6.099 201 H VAL 30 H VAL 30 2.655 -0.091 2.059 202 HA VAL 30 HA VAL 30 0.467 -1.095 0.337 203 HB VAL 30 HB VAL 30 0.799 0.893 -1.154 204 HG11 VAL 30 HG11 VAL 30 -0.810 2.243 -0.150 205 HG12 VAL 30 HG12 VAL 30 -1.172 0.597 0.363 206 HG13 VAL 30 HG13 VAL 30 -0.404 1.703 1.502 207 HG21 VAL 30 HG21 VAL 30 2.933 1.664 0.212 208 HG22 VAL 30 HG22 VAL 30 1.826 2.792 -0.543 209 HG23 VAL 30 HG23 VAL 30 1.743 2.504 1.226 210 H VAL 31 H VAL 31 1.271 -1.211 -2.060 211 HA VAL 31 HA VAL 31 4.149 -1.625 -2.072 212 HB VAL 31 HB VAL 31 4.189 -3.427 -3.353 213 HG11 VAL 31 HG11 VAL 31 3.339 -3.921 -1.144 214 HG12 VAL 31 HG12 VAL 31 1.725 -4.212 -1.874 215 HG13 VAL 31 HG13 VAL 31 3.156 -5.172 -2.368 216 HG21 VAL 31 HG21 VAL 31 1.395 -3.131 -4.335 217 HG22 VAL 31 HG22 VAL 31 2.966 -3.003 -5.207 218 HG23 VAL 31 HG23 VAL 31 2.448 -4.554 -4.570 219 H TYR 32 H TYR 32 5.160 -0.978 -3.973 220 HA TYR 32 HA TYR 32 3.727 0.142 -6.256 221 HB2 TYR 32 HB2 TYR 32 3.497 2.111 -4.852 222 HB3 TYR 32 HB3 TYR 32 5.157 1.930 -4.287 223 HD1 TYR 32 HD1 TYR 32 3.675 2.104 -7.802 224 HD2 TYR 32 HD2 TYR 32 6.549 3.658 -4.970 225 HE1 TYR 32 HE1 TYR 32 4.743 3.429 -9.577 226 HE2 TYR 32 HE2 TYR 32 7.588 4.995 -6.724 227 HH TYR 32 HH TYR 32 6.571 4.724 -10.142 228 H ASP 33 H ASP 33 5.123 0.133 -8.000 229 HA ASP 33 HA ASP 33 6.858 -0.572 -9.235 230 HB2 ASP 33 HB2 ASP 33 7.565 1.658 -8.487 231 HB3 ASP 33 HB3 ASP 33 8.392 0.953 -7.100 232 H ASP 34 H ASP 34 5.919 -2.425 -7.248 233 HA ASP 34 HA ASP 34 6.197 -4.512 -6.573 234 HB2 ASP 34 HB2 ASP 34 7.793 -4.616 -8.683 235 HB3 ASP 34 HB3 ASP 34 9.081 -4.681 -7.452 236 H GLN 35 H GLN 35 7.342 -2.105 -5.008 237 HA GLN 35 HA GLN 35 9.105 -3.507 -3.104 238 HB2 GLN 35 HB2 GLN 35 8.534 -0.527 -3.372 239 HB3 GLN 35 HB3 GLN 35 9.807 -1.300 -2.443 240 HG2 GLN 35 HG2 GLN 35 9.614 -0.863 -5.431 241 HG3 GLN 35 HG3 GLN 35 10.880 -0.431 -4.347 242 HE21 GLN 35 HE21 GLN 35 12.210 -2.093 -3.468 243 HE22 GLN 35 HE22 GLN 35 12.365 -3.692 -4.283 244 H LEU 36 H LEU 36 8.748 -2.865 -0.850 245 HA LEU 36 HA LEU 36 5.838 -2.534 -0.242 246 HB2 LEU 36 HB2 LEU 36 6.975 -4.811 0.136 247 HB3 LEU 36 HB3 LEU 36 7.887 -4.063 1.415 248 HG LEU 36 HG LEU 36 5.815 -3.613 2.635 249 HD11 LEU 36 HD11 LEU 36 4.337 -5.024 0.414 250 HD12 LEU 36 HD12 LEU 36 4.185 -3.300 0.817 251 HD13 LEU 36 HD13 LEU 36 3.647 -4.525 1.967 252 HD21 LEU 36 HD21 LEU 36 5.239 -5.919 3.159 253 HD22 LEU 36 HD22 LEU 36 6.988 -5.774 2.891 254 HD23 LEU 36 HD23 LEU 36 5.936 -6.451 1.619 255 H TYR 37 H TYR 37 5.366 -0.707 0.860 256 HA TYR 37 HA TYR 37 7.554 0.483 2.465 257 HB2 TYR 37 HB2 TYR 37 5.307 2.099 1.297 258 HB3 TYR 37 HB3 TYR 37 6.831 2.662 1.963 259 HD1 TYR 37 HD1 TYR 37 8.786 0.917 0.353 260 HD2 TYR 37 HD2 TYR 37 5.246 3.135 -0.736 261 HE1 TYR 37 HE1 TYR 37 9.718 1.302 -1.943 262 HE2 TYR 37 HE2 TYR 37 6.206 3.547 -2.938 263 HH TYR 37 HH TYR 37 9.402 2.341 -4.038 264 H HIS 38 H HIS 38 7.047 1.191 4.582 265 HA HIS 38 HA HIS 38 4.409 0.440 5.656 266 HB2 HIS 38 HB2 HIS 38 7.167 0.206 6.469 267 HB3 HIS 38 HB3 HIS 38 6.478 1.324 7.563 268 HD1 HIS 38 HD1 HIS 38 7.340 -1.582 8.606 269 HD2 HIS 38 HD2 HIS 38 3.455 -0.245 7.547 270 HE1 HIS 38 HE1 HIS 38 5.745 -3.068 9.799 271 H LEU 39 H LEU 39 3.028 2.047 6.250 272 HA LEU 39 HA LEU 39 3.792 4.847 5.849 273 HB2 LEU 39 HB2 LEU 39 1.394 3.761 7.382 274 HB3 LEU 39 HB3 LEU 39 1.593 5.388 6.732 275 HG LEU 39 HG LEU 39 1.247 2.793 5.169 276 HD11 LEU 39 HD11 LEU 39 -0.432 5.332 5.366 277 HD12 LEU 39 HD12 LEU 39 -0.800 3.771 6.135 278 HD13 LEU 39 HD13 LEU 39 -0.814 3.906 4.369 279 HD21 LEU 39 HD21 LEU 39 2.775 4.028 3.840 280 HD22 LEU 39 HD22 LEU 39 1.894 5.560 4.084 281 HD23 LEU 39 HD23 LEU 39 1.192 4.241 3.111 282 H LYS 40 H LYS 40 4.383 6.374 7.465 283 HA LYS 40 HA LYS 40 4.881 5.271 10.234 284 HB2 LYS 40 HB2 LYS 40 6.584 7.287 8.688 285 HB3 LYS 40 HB3 LYS 40 6.906 6.671 10.301 286 HG2 LYS 40 HG2 LYS 40 6.817 5.039 7.742 287 HG3 LYS 40 HG3 LYS 40 8.289 5.640 8.473 288 HD2 LYS 40 HD2 LYS 40 6.421 3.785 10.028 289 HD3 LYS 40 HD3 LYS 40 7.628 3.159 8.941 290 HE2 LYS 40 HE2 LYS 40 9.381 4.545 10.158 291 HE3 LYS 40 HE3 LYS 40 8.133 5.015 11.320 292 HZ1 LYS 40 HZ1 LYS 40 9.126 2.258 10.865 293 HZ2 LYS 40 HZ2 LYS 40 7.944 2.689 11.958 294 HZ3 LYS 40 HZ3 LYS 40 9.467 3.245 12.121 295 H GLU 41 H GLU 41 4.445 8.119 8.299 296 HA GLU 41 HA GLU 41 2.681 9.242 10.416 297 HB2 GLU 41 HB2 GLU 41 3.876 11.260 10.834 298 HB3 GLU 41 HB3 GLU 41 5.018 9.943 11.041 299 HG2 GLU 41 HG2 GLU 41 5.722 10.402 8.614 300 HG3 GLU 41 HG3 GLU 41 4.809 11.907 8.736 301 H LYS 42 H LYS 42 1.823 11.423 9.803 302 HA LYS 42 HA LYS 42 1.026 11.401 6.929 303 HB2 LYS 42 HB2 LYS 42 -0.662 11.240 8.847 304 HB3 LYS 42 HB3 LYS 42 -0.343 12.946 9.163 305 HG2 LYS 42 HG2 LYS 42 -1.160 11.910 6.418 306 HG3 LYS 42 HG3 LYS 42 -2.360 12.179 7.652 307 HD2 LYS 42 HD2 LYS 42 -0.568 14.519 7.134 308 HD3 LYS 42 HD3 LYS 42 -1.629 14.026 5.807 309 HE2 LYS 42 HE2 LYS 42 -3.572 14.075 7.410 310 HE3 LYS 42 HE3 LYS 42 -2.486 14.742 8.643 311 HZ1 LYS 42 HZ1 LYS 42 -3.147 15.981 6.043 312 HZ2 LYS 42 HZ2 LYS 42 -2.112 16.652 7.134 313 HZ3 LYS 42 HZ3 LYS 42 -3.706 16.456 7.500 314 H VAL 43 H VAL 43 1.313 13.380 5.734 315 HA VAL 43 HA VAL 43 2.839 15.547 7.046 316 HB VAL 43 HB VAL 43 4.485 15.500 5.219 317 HG11 VAL 43 HG11 VAL 43 4.444 12.733 6.485 318 HG12 VAL 43 HG12 VAL 43 5.838 13.609 5.844 319 HG13 VAL 43 HG13 VAL 43 5.023 14.206 7.295 320 HG21 VAL 43 HG21 VAL 43 4.690 13.693 3.662 321 HG22 VAL 43 HG22 VAL 43 3.235 12.894 4.299 322 HG23 VAL 43 HG23 VAL 43 3.109 14.460 3.467 323 H ASP 44 H ASP 44 3.113 17.362 5.305 324 HA ASP 44 HA ASP 44 0.458 17.743 4.046 325 HB2 ASP 44 HB2 ASP 44 1.816 19.436 5.680 326 HB3 ASP 44 HB3 ASP 44 2.390 19.998 4.101 327 H GLU 45 H GLU 45 0.564 19.160 1.993 328 HA GLU 45 HA GLU 45 1.909 17.593 -0.023 329 HB2 GLU 45 HB2 GLU 45 0.827 19.081 -1.597 330 HB3 GLU 45 HB3 GLU 45 -0.329 18.640 -0.343 331 HG2 GLU 45 HG2 GLU 45 0.187 20.833 0.819 332 HG3 GLU 45 HG3 GLU 45 1.235 21.259 -0.520 333 H ASP 46 H ASP 46 2.771 20.368 1.838 334 HA ASP 46 HA ASP 46 4.602 21.483 -0.184 335 HB2 ASP 46 HB2 ASP 46 4.359 22.014 2.800 336 HB3 ASP 46 HB3 ASP 46 5.370 22.928 1.679 337 H LYS 47 H LYS 47 4.654 18.926 2.088 338 HA LYS 47 HA LYS 47 7.520 18.923 2.547 339 HB2 LYS 47 HB2 LYS 47 5.654 16.601 3.087 340 HB3 LYS 47 HB3 LYS 47 7.141 17.041 3.912 341 HG2 LYS 47 HG2 LYS 47 4.449 18.441 4.058 342 HG3 LYS 47 HG3 LYS 47 5.222 17.522 5.323 343 HD2 LYS 47 HD2 LYS 47 7.133 19.416 5.009 344 HD3 LYS 47 HD3 LYS 47 5.735 20.314 4.377 345 HE2 LYS 47 HE2 LYS 47 5.822 20.813 6.705 346 HE3 LYS 47 HE3 LYS 47 4.484 19.680 6.493 347 HZ1 LYS 47 HZ1 LYS 47 7.132 19.184 7.654 348 HZ2 LYS 47 HZ2 LYS 47 6.269 17.919 7.084 349 HZ3 LYS 47 HZ3 LYS 47 5.640 18.859 8.286 350 H LYS 48 H LYS 48 5.439 17.748 0.054 351 HA LYS 48 HA LYS 48 6.918 15.442 -0.703 352 HB2 LYS 48 HB2 LYS 48 5.731 15.492 -2.743 353 HB3 LYS 48 HB3 LYS 48 4.621 16.075 -1.514 354 HG2 LYS 48 HG2 LYS 48 5.379 18.443 -2.344 355 HG3 LYS 48 HG3 LYS 48 6.073 17.582 -3.716 356 HD2 LYS 48 HD2 LYS 48 3.972 16.800 -4.459 357 HD3 LYS 48 HD3 LYS 48 3.160 17.231 -2.946 358 HE2 LYS 48 HE2 LYS 48 2.709 18.699 -4.928 359 HE3 LYS 48 HE3 LYS 48 3.216 19.544 -3.442 360 HZ1 LYS 48 HZ1 LYS 48 4.348 20.336 -5.492 361 HZ2 LYS 48 HZ2 LYS 48 5.029 18.865 -5.672 362 HZ3 LYS 48 HZ3 LYS 48 5.416 19.792 -4.363 363 H GLY 49 H GLY 49 8.899 15.231 -1.589 364 HA2 GLY 49 HA2 GLY 49 10.456 17.653 -2.186 365 HA3 GLY 49 HA3 GLY 49 11.032 15.982 -2.205 366 H LYS 50 H LYS 50 8.680 15.226 -3.955 367 HA LYS 50 HA LYS 50 8.460 16.521 -6.429 368 HB2 LYS 50 HB2 LYS 50 9.990 15.045 -7.765 369 HB3 LYS 50 HB3 LYS 50 10.898 16.148 -6.750 370 HG2 LYS 50 HG2 LYS 50 11.154 14.299 -5.036 371 HG3 LYS 50 HG3 LYS 50 10.362 13.201 -6.175 372 HD2 LYS 50 HD2 LYS 50 12.969 14.655 -6.735 373 HD3 LYS 50 HD3 LYS 50 12.838 13.075 -6.000 374 HE2 LYS 50 HE2 LYS 50 13.259 12.657 -8.262 375 HE3 LYS 50 HE3 LYS 50 11.570 12.235 -8.006 376 HZ1 LYS 50 HZ1 LYS 50 12.209 13.609 -10.046 377 HZ2 LYS 50 HZ2 LYS 50 12.409 14.866 -9.048 378 HZ3 LYS 50 HZ3 LYS 50 10.915 14.163 -9.174 379 H VAL 51 H VAL 51 7.476 14.954 -8.040 380 HA VAL 51 HA VAL 51 6.049 12.707 -6.698 381 HB VAL 51 HB VAL 51 5.760 14.267 -9.270 382 HG11 VAL 51 HG11 VAL 51 5.540 11.954 -10.051 383 HG12 VAL 51 HG12 VAL 51 4.410 11.592 -8.708 384 HG13 VAL 51 HG13 VAL 51 3.972 12.751 -9.988 385 HG21 VAL 51 HG21 VAL 51 4.590 14.974 -7.191 386 HG22 VAL 51 HG22 VAL 51 3.490 14.568 -8.499 387 HG23 VAL 51 HG23 VAL 51 3.733 13.408 -7.175 388 H ILE 52 H ILE 52 6.248 10.599 -7.544 389 HA ILE 52 HA ILE 52 8.571 10.023 -9.307 390 HB ILE 52 HB ILE 52 9.213 8.129 -7.806 391 HG12 ILE 52 HG12 ILE 52 7.686 9.652 -5.643 392 HG13 ILE 52 HG13 ILE 52 7.118 8.148 -6.388 393 HG21 ILE 52 HG21 ILE 52 10.695 9.493 -6.449 394 HG22 ILE 52 HG22 ILE 52 10.500 10.254 -8.018 395 HG23 ILE 52 HG23 ILE 52 9.629 10.902 -6.603 396 HD11 ILE 52 HD11 ILE 52 9.606 8.511 -4.687 397 HD12 ILE 52 HD12 ILE 52 8.137 7.602 -4.306 398 HD13 ILE 52 HD13 ILE 52 9.214 7.019 -5.586 399 H GLY 53 H GLY 53 5.460 9.037 -7.878 400 HA2 GLY 53 HA2 GLY 53 4.794 7.581 -10.321 401 HA3 GLY 53 HA3 GLY 53 5.023 6.585 -8.878 402 H ALA 54 H ALA 54 2.653 6.229 -9.398 403 HA ALA 54 HA ALA 54 0.996 7.731 -7.590 404 HB1 ALA 54 HB1 ALA 54 0.408 8.992 -9.558 405 HB2 ALA 54 HB2 ALA 54 0.524 7.563 -10.602 406 HB3 ALA 54 HB3 ALA 54 -0.826 7.743 -9.482 407 H ILE 55 H ILE 55 -0.320 6.244 -6.464 408 HA ILE 55 HA ILE 55 -0.223 3.453 -7.409 409 HB ILE 55 HB ILE 55 -1.338 4.871 -4.961 410 HG12 ILE 55 HG12 ILE 55 0.825 2.745 -5.375 411 HG13 ILE 55 HG13 ILE 55 1.078 4.452 -5.020 412 HG21 ILE 55 HG21 ILE 55 -2.940 3.100 -5.537 413 HG22 ILE 55 HG22 ILE 55 -1.616 1.892 -5.498 414 HG23 ILE 55 HG23 ILE 55 -2.106 2.788 -4.045 415 HD11 ILE 55 HD11 ILE 55 -0.013 2.312 -3.185 416 HD12 ILE 55 HD12 ILE 55 1.351 3.409 -2.934 417 HD13 ILE 55 HD13 ILE 55 -0.311 4.037 -2.878 418 H GLY 56 H GLY 56 -2.790 5.910 -6.668 419 HA2 GLY 56 HA2 GLY 56 -4.804 6.345 -7.586 420 HA3 GLY 56 HA3 GLY 56 -4.153 5.724 -9.097 421 H GLN 57 H GLN 57 -4.112 3.168 -6.857 422 HA GLN 57 HA GLN 57 -6.231 1.821 -8.242 423 HB2 GLN 57 HB2 GLN 57 -4.759 0.970 -5.705 424 HB3 GLN 57 HB3 GLN 57 -5.705 -0.037 -6.806 425 HG2 GLN 57 HG2 GLN 57 -3.986 0.857 -8.627 426 HG3 GLN 57 HG3 GLN 57 -2.969 1.194 -7.237 427 HE21 GLN 57 HE21 GLN 57 -1.396 -0.569 -6.988 428 HE22 GLN 57 HE22 GLN 57 -1.820 -2.173 -7.485 429 H THR 58 H THR 58 -8.032 0.721 -6.929 430 HA THR 58 HA THR 58 -8.887 2.126 -4.549 431 HB THR 58 HB THR 58 -10.749 2.192 -6.926 432 HG1 THR 58 HG1 THR 58 -8.707 3.804 -6.386 433 HG21 THR 58 HG21 THR 58 -10.894 3.416 -4.142 434 HG22 THR 58 HG22 THR 58 -11.959 2.182 -4.832 435 HG23 THR 58 HG23 THR 58 -11.990 3.838 -5.469 436 H PHE 59 H PHE 59 -9.808 0.633 -3.247 437 HA PHE 59 HA PHE 59 -11.139 -1.687 -4.516 438 HB2 PHE 59 HB2 PHE 59 -9.024 -1.836 -2.345 439 HB3 PHE 59 HB3 PHE 59 -9.961 -3.204 -2.917 440 HD1 PHE 59 HD1 PHE 59 -9.818 -3.814 -5.452 441 HD2 PHE 59 HD2 PHE 59 -6.936 -1.349 -3.393 442 HE1 PHE 59 HE1 PHE 59 -8.124 -4.339 -7.176 443 HE2 PHE 59 HE2 PHE 59 -5.223 -1.976 -5.062 444 HZ PHE 59 HZ PHE 59 -5.845 -3.414 -7.005 445 H PHE 60 H PHE 60 -12.146 -3.085 -2.611 446 HA PHE 60 HA PHE 60 -13.119 -1.378 -0.407 447 HB2 PHE 60 HB2 PHE 60 -14.876 -3.163 -2.135 448 HB3 PHE 60 HB3 PHE 60 -15.377 -2.290 -0.703 449 HD1 PHE 60 HD1 PHE 60 -14.318 -1.948 -4.242 450 HD2 PHE 60 HD2 PHE 60 -15.977 0.082 -0.808 451 HE1 PHE 60 HE1 PHE 60 -14.913 -0.021 -5.649 452 HE2 PHE 60 HE2 PHE 60 -16.782 1.886 -2.244 453 HZ PHE 60 HZ PHE 60 -16.208 1.889 -4.690 454 H VAL 61 H VAL 61 -13.683 -2.550 1.519 455 HA VAL 61 HA VAL 61 -13.370 -5.446 1.471 456 HB VAL 61 HB VAL 61 -12.075 -5.447 3.544 457 HG11 VAL 61 HG11 VAL 61 -9.932 -4.916 2.606 458 HG12 VAL 61 HG12 VAL 61 -10.940 -5.748 1.428 459 HG13 VAL 61 HG13 VAL 61 -10.681 -3.987 1.279 460 HG21 VAL 61 HG21 VAL 61 -11.816 -2.457 3.091 461 HG22 VAL 61 HG22 VAL 61 -12.608 -3.320 4.446 462 HG23 VAL 61 HG23 VAL 61 -10.859 -3.433 4.229 463 H ASP 62 H ASP 62 -14.165 -6.365 3.575 464 HA ASP 62 HA ASP 62 -16.646 -5.011 4.411 465 HB2 ASP 62 HB2 ASP 62 -17.411 -7.253 4.969 466 HB3 ASP 62 HB3 ASP 62 -16.829 -7.209 3.306 467 H GLY 63 H GLY 63 -17.270 -6.192 6.673 468 HA2 GLY 63 HA2 GLY 63 -15.860 -4.704 8.648 469 HA3 GLY 63 HA3 GLY 63 -17.105 -5.928 8.920 470 H ASP 64 H ASP 64 -15.095 -7.856 7.302 471 HA ASP 64 HA ASP 64 -13.623 -8.633 9.794 472 HB2 ASP 64 HB2 ASP 64 -15.133 -10.333 8.868 473 HB3 ASP 64 HB3 ASP 64 -14.304 -10.267 7.322 474 H GLY 65 H GLY 65 -13.298 -7.363 6.577 475 HA2 GLY 65 HA2 GLY 65 -11.368 -6.141 5.933 476 HA3 GLY 65 HA3 GLY 65 -10.344 -7.200 6.906 477 H LYS 66 H LYS 66 -12.909 -8.448 4.718 478 HA LYS 66 HA LYS 66 -10.760 -9.760 3.107 479 HB2 LYS 66 HB2 LYS 66 -13.706 -10.273 3.503 480 HB3 LYS 66 HB3 LYS 66 -12.834 -11.032 2.198 481 HG2 LYS 66 HG2 LYS 66 -11.903 -11.346 5.079 482 HG3 LYS 66 HG3 LYS 66 -13.219 -12.295 4.442 483 HD2 LYS 66 HD2 LYS 66 -11.365 -13.693 4.176 484 HD3 LYS 66 HD3 LYS 66 -11.746 -13.100 2.572 485 HE2 LYS 66 HE2 LYS 66 -9.340 -13.114 2.893 486 HE3 LYS 66 HE3 LYS 66 -9.908 -11.471 2.701 487 HZ1 LYS 66 HZ1 LYS 66 -9.044 -12.763 5.197 488 HZ2 LYS 66 HZ2 LYS 66 -9.857 -11.340 5.208 489 HZ3 LYS 66 HZ3 LYS 66 -8.425 -11.436 4.421 490 H ARG 67 H ARG 67 -10.793 -9.561 0.833 491 HA ARG 67 HA ARG 67 -11.595 -6.956 -0.144 492 HB2 ARG 67 HB2 ARG 67 -10.040 -9.379 -1.062 493 HB3 ARG 67 HB3 ARG 67 -10.782 -8.432 -2.318 494 HG2 ARG 67 HG2 ARG 67 -9.034 -7.205 -0.143 495 HG3 ARG 67 HG3 ARG 67 -8.380 -7.804 -1.679 496 HD2 ARG 67 HD2 ARG 67 -10.455 -5.586 -1.416 497 HD3 ARG 67 HD3 ARG 67 -8.736 -5.382 -1.786 498 HE ARG 67 HE ARG 67 -9.117 -6.877 -3.761 499 HH11 ARG 67 HH11 ARG 67 -12.105 -5.285 -2.596 500 HH12 ARG 67 HH12 ARG 67 -12.747 -5.335 -4.237 501 HH21 ARG 67 HH21 ARG 67 -9.975 -6.841 -5.677 502 HH22 ARG 67 HH22 ARG 67 -11.547 -6.099 -6.012 503 H TRP 68 H TRP 68 -13.405 -6.450 -1.169 504 HA TRP 68 HA TRP 68 -15.555 -8.350 -1.326 505 HB2 TRP 68 HB2 TRP 68 -15.092 -5.497 -2.226 506 HB3 TRP 68 HB3 TRP 68 -16.436 -6.381 -2.899 507 HD1 TRP 68 HD1 TRP 68 -15.183 -5.914 0.773 508 HE1 TRP 68 HE1 TRP 68 -17.205 -5.404 2.240 509 HE3 TRP 68 HE3 TRP 68 -18.853 -6.427 -2.742 510 HZ2 TRP 68 HZ2 TRP 68 -20.084 -5.357 1.958 511 HZ3 TRP 68 HZ3 TRP 68 -21.219 -6.254 -2.095 512 HH2 TRP 68 HH2 TRP 68 -21.868 -5.690 0.237 513 H SER 69 H SER 69 -16.428 -9.389 -3.104 514 HA SER 69 HA SER 69 -14.585 -10.053 -5.285 515 HB2 SER 69 HB2 SER 69 -16.160 -11.622 -3.976 516 HB3 SER 69 HB3 SER 69 -17.481 -10.892 -4.893 517 HG SER 69 HG SER 69 -15.275 -12.418 -5.833 518 H GLU 70 H GLU 70 -14.853 -9.308 -7.497 519 HA GLU 70 HA GLU 70 -16.217 -6.842 -7.825 520 HB2 GLU 70 HB2 GLU 70 -15.139 -8.767 -9.914 521 HB3 GLU 70 HB3 GLU 70 -15.823 -7.171 -10.272 522 HG2 GLU 70 HG2 GLU 70 -14.139 -6.259 -8.498 523 HG3 GLU 70 HG3 GLU 70 -13.292 -7.791 -8.711 524 H GLU 71 H GLU 71 -17.482 -10.060 -8.143 525 HA GLU 71 HA GLU 71 -19.771 -9.474 -9.775 526 HB2 GLU 71 HB2 GLU 71 -19.316 -11.606 -7.633 527 HB3 GLU 71 HB3 GLU 71 -20.603 -11.591 -8.856 528 HG2 GLU 71 HG2 GLU 71 -18.921 -11.723 -10.646 529 HG3 GLU 71 HG3 GLU 71 -17.611 -11.689 -9.470 530 H GLU 72 H GLU 72 -19.265 -9.696 -6.240 531 HA GLU 72 HA GLU 72 -21.835 -9.041 -5.338 532 HB2 GLU 72 HB2 GLU 72 -19.120 -8.563 -4.061 533 HB3 GLU 72 HB3 GLU 72 -20.647 -8.544 -3.197 534 HG2 GLU 72 HG2 GLU 72 -19.746 -11.007 -4.785 535 HG3 GLU 72 HG3 GLU 72 -19.167 -10.684 -3.180 536 H LEU 73 H LEU 73 -19.310 -7.059 -6.619 537 HA LEU 73 HA LEU 73 -20.280 -4.543 -5.490 538 HB2 LEU 73 HB2 LEU 73 -18.281 -5.053 -7.698 539 HB3 LEU 73 HB3 LEU 73 -18.636 -3.474 -6.996 540 HG LEU 73 HG LEU 73 -17.575 -5.849 -5.412 541 HD11 LEU 73 HD11 LEU 73 -16.050 -3.361 -6.154 542 HD12 LEU 73 HD12 LEU 73 -16.016 -4.825 -7.150 543 HD13 LEU 73 HD13 LEU 73 -15.452 -4.886 -5.467 544 HD21 LEU 73 HD21 LEU 73 -18.798 -4.346 -3.947 545 HD22 LEU 73 HD22 LEU 73 -17.935 -2.948 -4.619 546 HD23 LEU 73 HD23 LEU 73 -17.062 -4.169 -3.671 547 H LYS 74 H LYS 74 -21.222 -6.525 -8.160 548 HA LYS 74 HA LYS 74 -22.382 -4.289 -9.676 549 HB2 LYS 74 HB2 LYS 74 -22.835 -5.760 -11.341 550 HB3 LYS 74 HB3 LYS 74 -21.516 -6.622 -10.564 551 HG2 LYS 74 HG2 LYS 74 -23.445 -7.900 -9.290 552 HG3 LYS 74 HG3 LYS 74 -24.501 -7.210 -10.502 553 HD2 LYS 74 HD2 LYS 74 -22.051 -8.925 -11.158 554 HD3 LYS 74 HD3 LYS 74 -23.700 -9.531 -10.981 555 HE2 LYS 74 HE2 LYS 74 -24.348 -7.714 -12.726 556 HE3 LYS 74 HE3 LYS 74 -22.617 -7.651 -13.112 557 HZ1 LYS 74 HZ1 LYS 74 -24.352 -10.053 -13.238 558 HZ2 LYS 74 HZ2 LYS 74 -22.763 -10.018 -13.707 559 HZ3 LYS 74 HZ3 LYS 74 -23.906 -9.180 -14.524 560 H GLU 75 H GLU 75 -23.328 -6.211 -6.970 561 HA GLU 75 HA GLU 75 -26.149 -6.275 -7.258 562 HB2 GLU 75 HB2 GLU 75 -24.370 -6.098 -4.817 563 HB3 GLU 75 HB3 GLU 75 -26.053 -6.484 -4.715 564 HG2 GLU 75 HG2 GLU 75 -25.466 -8.424 -6.390 565 HG3 GLU 75 HG3 GLU 75 -23.841 -8.210 -5.752 566 HA PRO 76 HA PRO 76 -27.255 -2.106 -6.103 567 HB2 PRO 76 HB2 PRO 76 -29.781 -2.377 -5.187 568 HB3 PRO 76 HB3 PRO 76 -29.364 -2.880 -6.856 569 HG2 PRO 76 HG2 PRO 76 -29.682 -4.619 -4.402 570 HG3 PRO 76 HG3 PRO 76 -30.314 -4.895 -6.057 571 HD2 PRO 76 HD2 PRO 76 -27.971 -5.946 -5.023 572 HD3 PRO 76 HD3 PRO 76 -28.240 -5.750 -6.767 573 H TYR 77 H TYR 77 -27.914 -0.702 -4.201 574 HA TYR 77 HA TYR 77 -26.423 -1.115 -1.914 575 HB2 TYR 77 HB2 TYR 77 -29.033 0.454 -1.902 576 HB3 TYR 77 HB3 TYR 77 -27.594 0.738 -0.942 577 HD1 TYR 77 HD1 TYR 77 -29.201 1.114 -4.251 578 HD2 TYR 77 HD2 TYR 77 -25.645 1.914 -1.924 579 HE1 TYR 77 HE1 TYR 77 -28.395 2.624 -6.011 580 HE2 TYR 77 HE2 TYR 77 -24.842 3.446 -3.667 581 HH TYR 77 HH TYR 77 -25.264 4.392 -5.724 582 H ILE 78 H ILE 78 -29.891 -1.672 -2.414 583 HA ILE 78 HA ILE 78 -29.947 -3.835 -0.471 584 HB ILE 78 HB ILE 78 -31.905 -2.956 0.723 585 HG12 ILE 78 HG12 ILE 78 -31.410 -0.264 -0.634 586 HG13 ILE 78 HG13 ILE 78 -32.727 -1.367 -1.040 587 HG21 ILE 78 HG21 ILE 78 -29.597 -2.630 1.623 588 HG22 ILE 78 HG22 ILE 78 -29.622 -0.968 0.988 589 HG23 ILE 78 HG23 ILE 78 -30.772 -1.480 2.247 590 HD11 ILE 78 HD11 ILE 78 -32.355 0.048 1.621 591 HD12 ILE 78 HD12 ILE 78 -33.605 0.330 0.400 592 HD13 ILE 78 HD13 ILE 78 -33.584 -1.201 1.297 593 H SER 79 H SER 79 -31.964 -4.954 -0.608 594 HA SER 79 HA SER 79 -33.568 -4.659 -3.088 595 HB2 SER 79 HB2 SER 79 -31.957 -6.407 -3.534 596 HB3 SER 79 HB3 SER 79 -32.144 -7.086 -1.920 597 HG SER 79 HG SER 79 -33.287 -8.360 -3.154 598 H ASN 80 H ASN 80 -34.019 -7.258 -0.846 599 HA ASN 80 HA ASN 80 -36.002 -5.761 0.835 600 HB2 ASN 80 HB2 ASN 80 -36.415 -8.487 -0.489 601 HB3 ASN 80 HB3 ASN 80 -37.532 -7.678 0.598 602 HD21 ASN 80 HD21 ASN 80 -35.946 -7.261 -2.656 603 HD22 ASN 80 HD22 ASN 80 -37.327 -6.380 -3.292 604 H ASN 81 H ASN 81 -33.274 -7.492 0.688 605 HA ASN 81 HA ASN 81 -33.401 -8.940 3.253 606 HB2 ASN 81 HB2 ASN 81 -31.631 -10.370 1.997 607 HB3 ASN 81 HB3 ASN 81 -33.320 -10.586 1.588 608 HD21 ASN 81 HD21 ASN 81 -30.441 -10.630 0.066 609 HD22 ASN 81 HD22 ASN 81 -30.817 -9.809 -1.431 610 HA PRO 82 HA PRO 82 -30.193 -5.500 3.257 611 HB2 PRO 82 HB2 PRO 82 -30.962 -4.187 5.524 612 HB3 PRO 82 HB3 PRO 82 -31.799 -3.954 3.950 613 HG2 PRO 82 HG2 PRO 82 -32.563 -5.800 6.246 614 HG3 PRO 82 HG3 PRO 82 -33.604 -4.603 5.406 615 HD2 PRO 82 HD2 PRO 82 -33.583 -7.244 4.717 616 HD3 PRO 82 HD3 PRO 82 -33.760 -5.951 3.484 617 H ASP 83 H ASP 83 -30.775 -8.220 5.142 618 HA ASP 83 HA ASP 83 -28.748 -7.610 7.226 619 HB2 ASP 83 HB2 ASP 83 -30.873 -8.618 7.823 620 HB3 ASP 83 HB3 ASP 83 -30.568 -9.997 6.770 621 H GLU 84 H GLU 84 -29.171 -9.595 4.325 622 HA GLU 84 HA GLU 84 -26.953 -11.352 4.845 623 HB2 GLU 84 HB2 GLU 84 -27.237 -12.213 2.763 624 HB3 GLU 84 HB3 GLU 84 -28.857 -11.621 3.176 625 HG2 GLU 84 HG2 GLU 84 -28.392 -9.582 1.831 626 HG3 GLU 84 HG3 GLU 84 -26.812 -10.271 1.377 627 H ILE 85 H ILE 85 -27.236 -8.354 3.171 628 HA ILE 85 HA ILE 85 -24.618 -8.110 2.097 629 HB ILE 85 HB ILE 85 -25.180 -5.682 1.913 630 HG12 ILE 85 HG12 ILE 85 -27.851 -6.412 3.195 631 HG13 ILE 85 HG13 ILE 85 -26.547 -5.600 4.071 632 HG21 ILE 85 HG21 ILE 85 -27.012 -6.021 0.297 633 HG22 ILE 85 HG22 ILE 85 -25.860 -7.360 0.199 634 HG23 ILE 85 HG23 ILE 85 -27.413 -7.574 1.024 635 HD11 ILE 85 HD11 ILE 85 -26.608 -3.750 2.424 636 HD12 ILE 85 HD12 ILE 85 -28.033 -4.505 1.661 637 HD13 ILE 85 HD13 ILE 85 -28.118 -3.941 3.341 638 H ARG 86 H ARG 86 -22.979 -6.472 2.734 639 HA ARG 86 HA ARG 86 -22.787 -6.128 5.686 640 HB2 ARG 86 HB2 ARG 86 -21.534 -8.171 4.403 641 HB3 ARG 86 HB3 ARG 86 -20.385 -6.905 4.019 642 HG2 ARG 86 HG2 ARG 86 -19.435 -7.474 5.989 643 HG3 ARG 86 HG3 ARG 86 -20.695 -6.515 6.733 644 HD2 ARG 86 HD2 ARG 86 -22.105 -8.583 6.956 645 HD3 ARG 86 HD3 ARG 86 -20.813 -9.518 6.216 646 HE ARG 86 HE ARG 86 -19.439 -9.247 8.047 647 HH11 ARG 86 HH11 ARG 86 -22.659 -7.784 8.684 648 HH12 ARG 86 HH12 ARG 86 -22.343 -7.438 10.333 649 HH21 ARG 86 HH21 ARG 86 -18.954 -8.615 10.119 650 HH22 ARG 86 HH22 ARG 86 -20.085 -7.837 11.185 651 H GLU 87 H GLU 87 -20.869 -4.726 6.217 652 HA GLU 87 HA GLU 87 -21.122 -2.176 4.988 653 HB2 GLU 87 HB2 GLU 87 -19.176 -1.586 6.413 654 HB3 GLU 87 HB3 GLU 87 -20.442 -2.425 7.302 655 HG2 GLU 87 HG2 GLU 87 -18.874 -4.559 6.655 656 HG3 GLU 87 HG3 GLU 87 -17.655 -3.289 6.577 657 H LYS 88 H LYS 88 -19.617 -1.046 3.725 658 HA LYS 88 HA LYS 88 -17.531 -2.694 2.343 659 HB2 LYS 88 HB2 LYS 88 -19.721 -2.703 1.129 660 HB3 LYS 88 HB3 LYS 88 -19.571 -0.952 0.934 661 HG2 LYS 88 HG2 LYS 88 -17.538 -1.250 -0.366 662 HG3 LYS 88 HG3 LYS 88 -17.495 -2.974 -0.006 663 HD2 LYS 88 HD2 LYS 88 -18.303 -2.663 -2.251 664 HD3 LYS 88 HD3 LYS 88 -19.590 -3.307 -1.238 665 HE2 LYS 88 HE2 LYS 88 -20.832 -1.720 -2.251 666 HE3 LYS 88 HE3 LYS 88 -20.148 -0.685 -0.976 667 HZ1 LYS 88 HZ1 LYS 88 -20.127 0.233 -3.160 668 HZ2 LYS 88 HZ2 LYS 88 -19.007 -0.829 -3.680 669 HZ3 LYS 88 HZ3 LYS 88 -18.653 0.220 -2.418 670 H LYS 89 H LYS 89 -15.813 -1.691 3.234 671 HA LYS 89 HA LYS 89 -15.589 1.163 3.648 672 HB2 LYS 89 HB2 LYS 89 -13.582 -1.093 3.979 673 HB3 LYS 89 HB3 LYS 89 -13.400 0.554 4.584 674 HG2 LYS 89 HG2 LYS 89 -15.289 0.235 6.115 675 HG3 LYS 89 HG3 LYS 89 -15.617 -1.367 5.429 676 HD2 LYS 89 HD2 LYS 89 -13.176 -1.948 6.094 677 HD3 LYS 89 HD3 LYS 89 -13.266 -0.539 7.161 678 HE2 LYS 89 HE2 LYS 89 -15.216 -2.878 7.037 679 HE3 LYS 89 HE3 LYS 89 -13.892 -2.762 8.206 680 HZ1 LYS 89 HZ1 LYS 89 -16.186 -2.003 8.950 681 HZ2 LYS 89 HZ2 LYS 89 -15.981 -0.672 8.038 682 HZ3 LYS 89 HZ3 LYS 89 -14.949 -0.963 9.275 683 HA PRO 90 HA PRO 90 -13.711 1.319 -0.558 684 HB2 PRO 90 HB2 PRO 90 -13.842 4.010 -0.946 685 HB3 PRO 90 HB3 PRO 90 -15.303 2.988 -1.033 686 HG2 PRO 90 HG2 PRO 90 -14.318 4.613 1.294 687 HG3 PRO 90 HG3 PRO 90 -15.979 4.559 0.644 688 HD2 PRO 90 HD2 PRO 90 -15.205 3.054 2.824 689 HD3 PRO 90 HD3 PRO 90 -16.403 2.499 1.624 690 H LEU 91 H LEU 91 -11.561 1.494 -1.001 691 HA LEU 91 HA LEU 91 -9.707 2.996 0.825 692 HB2 LEU 91 HB2 LEU 91 -9.210 0.437 -0.751 693 HB3 LEU 91 HB3 LEU 91 -8.083 1.231 0.343 694 HG LEU 91 HG LEU 91 -10.744 -0.017 1.186 695 HD11 LEU 91 HD11 LEU 91 -9.279 -1.719 0.321 696 HD12 LEU 91 HD12 LEU 91 -9.338 -1.842 2.090 697 HD13 LEU 91 HD13 LEU 91 -7.919 -1.114 1.294 698 HD21 LEU 91 HD21 LEU 91 -9.941 0.148 3.454 699 HD22 LEU 91 HD22 LEU 91 -9.896 1.760 2.750 700 HD23 LEU 91 HD23 LEU 91 -8.393 0.819 2.934 701 H ARG 92 H ARG 92 -9.572 4.866 -0.399 702 HA ARG 92 HA ARG 92 -9.152 4.680 -3.347 703 HB2 ARG 92 HB2 ARG 92 -9.913 6.998 -1.522 704 HB3 ARG 92 HB3 ARG 92 -9.620 7.111 -3.268 705 HG2 ARG 92 HG2 ARG 92 -11.502 5.579 -3.687 706 HG3 ARG 92 HG3 ARG 92 -11.849 5.488 -1.955 707 HD2 ARG 92 HD2 ARG 92 -12.634 7.679 -1.835 708 HD3 ARG 92 HD3 ARG 92 -11.561 8.248 -3.107 709 HE ARG 92 HE ARG 92 -14.273 7.448 -3.449 710 HH11 ARG 92 HH11 ARG 92 -11.142 7.395 -5.113 711 HH12 ARG 92 HH12 ARG 92 -11.796 7.122 -6.678 712 HH21 ARG 92 HH21 ARG 92 -15.161 7.422 -5.426 713 HH22 ARG 92 HH22 ARG 92 -14.253 7.259 -6.911 714 H TYR 93 H TYR 93 -6.990 4.433 -3.813 715 HA TYR 93 HA TYR 93 -4.988 5.735 -2.139 716 HB2 TYR 93 HB2 TYR 93 -4.757 3.905 -4.522 717 HB3 TYR 93 HB3 TYR 93 -3.425 4.544 -3.553 718 HD1 TYR 93 HD1 TYR 93 -2.969 3.752 -1.274 719 HD2 TYR 93 HD2 TYR 93 -6.322 2.183 -3.515 720 HE1 TYR 93 HE1 TYR 93 -3.258 1.997 0.389 721 HE2 TYR 93 HE2 TYR 93 -6.625 0.420 -1.807 722 HH TYR 93 HH TYR 93 -4.408 0.055 0.993 723 H GLY 94 H GLY 94 -3.412 7.236 -2.773 724 HA2 GLY 94 HA2 GLY 94 -4.005 9.176 -4.688 725 HA3 GLY 94 HA3 GLY 94 -3.214 9.101 -3.125 726 H LYS 95 H LYS 95 -2.067 10.475 -5.202 727 HA LYS 95 HA LYS 95 -0.268 8.877 -6.755 728 HB2 LYS 95 HB2 LYS 95 -1.074 11.040 -7.519 729 HB3 LYS 95 HB3 LYS 95 -0.414 11.851 -6.091 730 HG2 LYS 95 HG2 LYS 95 1.820 11.578 -6.833 731 HG3 LYS 95 HG3 LYS 95 1.335 10.311 -7.995 732 HD2 LYS 95 HD2 LYS 95 0.134 13.035 -8.385 733 HD3 LYS 95 HD3 LYS 95 1.862 12.916 -8.685 734 HE2 LYS 95 HE2 LYS 95 -0.170 10.998 -9.853 735 HE3 LYS 95 HE3 LYS 95 0.401 12.432 -10.719 736 HZ1 LYS 95 HZ1 LYS 95 2.568 11.556 -10.849 737 HZ2 LYS 95 HZ2 LYS 95 1.651 10.272 -11.185 738 HZ3 LYS 95 HZ3 LYS 95 2.294 10.403 -9.698 739 H VAL 96 H VAL 96 2.252 9.252 -6.519 740 HA VAL 96 HA VAL 96 2.995 9.134 -3.657 741 HB VAL 96 HB VAL 96 4.173 7.593 -5.995 742 HG11 VAL 96 HG11 VAL 96 4.631 7.299 -3.004 743 HG12 VAL 96 HG12 VAL 96 5.356 6.281 -4.276 744 HG13 VAL 96 HG13 VAL 96 5.810 7.975 -4.143 745 HG21 VAL 96 HG21 VAL 96 1.848 6.792 -5.335 746 HG22 VAL 96 HG22 VAL 96 3.132 5.632 -5.111 747 HG23 VAL 96 HG23 VAL 96 2.469 6.521 -3.694 748 H TYR 97 H TYR 97 4.856 10.095 -3.006 749 HA TYR 97 HA TYR 97 6.353 11.770 -4.916 750 HB2 TYR 97 HB2 TYR 97 5.612 12.619 -2.096 751 HB3 TYR 97 HB3 TYR 97 6.234 13.578 -3.397 752 HD1 TYR 97 HD2 TYR 97 3.222 11.829 -2.109 753 HD2 TYR 97 HD1 TYR 97 4.755 14.619 -4.983 754 HE1 TYR 97 HE2 TYR 97 0.881 12.378 -2.743 755 HE2 TYR 97 HE1 TYR 97 2.454 15.225 -5.656 756 HH TYR 97 HH TYR 97 -0.180 14.777 -4.233 757 H SER 98 H SER 98 8.363 12.587 -3.744 758 HA SER 98 HA SER 98 9.634 10.380 -2.186 759 HB2 SER 98 HB2 SER 98 10.396 11.793 -4.555 760 HB3 SER 98 HB3 SER 98 11.524 12.263 -3.317 761 HG SER 98 HG SER 98 11.935 10.040 -2.965 762 H THR 99 H THR 99 11.274 11.255 -0.705 763 HA THR 99 HA THR 99 10.131 13.450 0.944 764 HB THR 99 HB THR 99 12.005 12.657 2.517 765 HG1 THR 99 HG1 THR 99 13.204 11.582 0.791 766 HG21 THR 99 HG21 THR 99 9.967 10.544 1.657 767 HG22 THR 99 HG22 THR 99 9.680 11.858 2.822 768 HG23 THR 99 HG23 THR 99 10.849 10.573 3.189 769 H ASN 100 H ASN 100 11.837 15.055 1.893 770 HA ASN 100 HA ASN 100 13.295 16.257 -0.374 771 HB2 ASN 100 HB2 ASN 100 13.110 17.094 2.555 772 HB3 ASN 100 HB3 ASN 100 13.981 17.978 1.299 773 HD21 ASN 100 HD21 ASN 100 12.352 18.277 -0.856 774 HD22 ASN 100 HD22 ASN 100 10.879 19.073 -0.313 775 H GLU 101 H GLU 101 14.615 14.424 -0.723 776 HA GLU 101 HA GLU 101 16.901 14.085 1.121 777 HB2 GLU 101 HB2 GLU 101 15.788 12.093 1.489 778 HB3 GLU 101 HB3 GLU 101 14.937 12.186 -0.043 779 HG2 GLU 101 HG2 GLU 101 16.931 11.416 -1.246 780 HG3 GLU 101 HG3 GLU 101 17.785 11.225 0.312 781 H ASP 102 H ASP 102 15.654 13.600 -2.051 782 HA ASP 102 HA ASP 102 16.497 13.432 -4.133 783 HB2 ASP 102 HB2 ASP 102 17.170 16.147 -3.031 784 HB3 ASP 102 HB3 ASP 102 17.652 15.686 -4.645 785 H SER 103 H SER 103 17.874 11.689 -2.852 786 HA SER 103 HA SER 103 20.596 11.769 -3.956 787 HB2 SER 103 HB2 SER 103 19.879 11.092 -1.077 788 HB3 SER 103 HB3 SER 103 21.436 10.722 -1.837 789 HG SER 103 HG SER 103 20.843 12.878 -0.627 790 H ASP 104 H ASP 104 21.529 9.449 -3.751 791 HA ASP 104 HA ASP 104 19.836 7.703 -5.177 792 HB2 ASP 104 HB2 ASP 104 22.563 7.330 -3.884 793 HB3 ASP 104 HB3 ASP 104 21.793 6.098 -4.884 794 H ALA 105 H ALA 105 20.048 8.066 -1.821 795 HA ALA 105 HA ALA 105 19.635 5.443 -0.855 796 HB1 ALA 105 HB1 ALA 105 18.937 8.217 0.114 797 HB2 ALA 105 HB2 ALA 105 18.569 6.754 1.084 798 HB3 ALA 105 HB3 ALA 105 20.250 7.151 0.639 799 H LYS 106 H LYS 106 16.942 7.919 -0.942 800 HA LYS 106 HA LYS 106 14.744 7.677 -1.439 801 HB2 LYS 106 HB2 LYS 106 16.084 7.044 -3.655 802 HB3 LYS 106 HB3 LYS 106 15.324 5.492 -3.425 803 HG2 LYS 106 HG2 LYS 106 13.880 8.170 -3.634 804 HG3 LYS 106 HG3 LYS 106 14.180 7.093 -4.989 805 HD2 LYS 106 HD2 LYS 106 12.464 6.482 -2.573 806 HD3 LYS 106 HD3 LYS 106 11.872 6.906 -4.180 807 HE2 LYS 106 HE2 LYS 106 13.420 4.383 -3.443 808 HE3 LYS 106 HE3 LYS 106 11.684 4.496 -3.726 809 HZ1 LYS 106 HZ1 LYS 106 12.624 3.697 -5.677 810 HZ2 LYS 106 HZ2 LYS 106 13.842 4.770 -5.703 811 HZ3 LYS 106 HZ3 LYS 106 12.302 5.264 -6.030 812 H ASP 107 H ASP 107 15.501 6.478 0.943 813 HA ASP 107 HA ASP 107 14.472 3.677 0.905 814 HB2 ASP 107 HB2 ASP 107 15.196 5.417 3.294 815 HB3 ASP 107 HB3 ASP 107 14.596 3.745 3.339 816 H GLU 108 H GLU 108 13.404 6.992 1.654 817 HA GLU 108 HA GLU 108 10.758 5.926 2.461 818 HB2 GLU 108 HB2 GLU 108 12.609 7.995 3.583 819 HB3 GLU 108 HB3 GLU 108 10.820 8.240 3.742 820 HG2 GLU 108 HG2 GLU 108 10.543 6.267 4.911 821 HG3 GLU 108 HG3 GLU 108 12.186 5.682 4.512 822 H ILE 109 H ILE 109 9.084 6.827 1.662 823 HA ILE 109 HA ILE 109 9.253 9.018 -0.327 824 HB ILE 109 HB ILE 109 7.917 7.733 -1.953 825 HG12 ILE 109 HG12 ILE 109 7.958 5.228 -1.819 826 HG13 ILE 109 HG13 ILE 109 8.260 5.371 -0.079 827 HG21 ILE 109 HG21 ILE 109 10.326 7.861 -2.214 828 HG22 ILE 109 HG22 ILE 109 10.491 6.308 -1.341 829 HG23 ILE 109 HG23 ILE 109 9.622 6.378 -2.886 830 HD11 ILE 109 HD11 ILE 109 5.811 5.182 -1.029 831 HD12 ILE 109 HD12 ILE 109 6.138 6.300 0.307 832 HD13 ILE 109 HD13 ILE 109 5.969 6.877 -1.365 833 H ILE 110 H ILE 110 6.645 9.357 -1.003 834 HA ILE 110 HA ILE 110 5.128 9.215 1.536 835 HB ILE 110 HB ILE 110 5.110 11.621 -0.274 836 HG12 ILE 110 HG12 ILE 110 7.024 11.048 2.031 837 HG13 ILE 110 HG13 ILE 110 7.458 11.399 0.353 838 HG21 ILE 110 HG21 ILE 110 4.087 12.705 1.550 839 HG22 ILE 110 HG22 ILE 110 3.302 11.132 1.485 840 HG23 ILE 110 HG23 ILE 110 4.559 11.434 2.698 841 HD11 ILE 110 HD11 ILE 110 7.971 13.264 1.610 842 HD12 ILE 110 HD12 ILE 110 6.559 13.646 0.586 843 HD13 ILE 110 HD13 ILE 110 6.372 13.332 2.348 844 H VAL 111 H VAL 111 3.359 8.084 1.221 845 HA VAL 111 HA VAL 111 2.199 7.783 -1.516 846 HB VAL 111 HB VAL 111 1.729 6.150 0.995 847 HG11 VAL 111 HG11 VAL 111 0.876 5.677 -1.884 848 HG12 VAL 111 HG12 VAL 111 0.612 4.551 -0.522 849 HG13 VAL 111 HG13 VAL 111 -0.209 6.069 -0.534 850 HG21 VAL 111 HG21 VAL 111 3.091 4.418 -0.246 851 HG22 VAL 111 HG22 VAL 111 3.598 5.746 -1.306 852 HG23 VAL 111 HG23 VAL 111 3.939 5.770 0.448 853 H GLU 112 H GLU 112 0.170 8.731 -1.921 854 HA GLU 112 HA GLU 112 -1.107 10.168 0.287 855 HB2 GLU 112 HB2 GLU 112 -0.922 11.237 -1.831 856 HB3 GLU 112 HB3 GLU 112 -1.536 9.921 -2.622 857 HG2 GLU 112 HG2 GLU 112 -3.801 10.365 -1.371 858 HG3 GLU 112 HG3 GLU 112 -3.096 11.837 -0.778 859 H PHE 113 H PHE 113 -3.141 9.470 1.163 860 HA PHE 113 HA PHE 113 -4.612 7.310 -0.141 861 HB2 PHE 113 HB2 PHE 113 -2.919 6.391 1.542 862 HB3 PHE 113 HB3 PHE 113 -3.818 7.211 2.801 863 HD1 PHE 113 HD2 PHE 113 -5.467 5.445 -0.103 864 HD2 PHE 113 HD1 PHE 113 -4.212 5.156 4.021 865 HE1 PHE 113 HE2 PHE 113 -6.711 3.400 0.105 866 HE2 PHE 113 HE1 PHE 113 -5.461 3.040 4.217 867 HZ PHE 113 HZ PHE 113 -6.828 2.213 2.290 868 H ASN 114 H ASN 114 -6.797 7.742 0.060 869 HA ASN 114 HA ASN 114 -8.652 9.020 0.399 870 HB2 ASN 114 HB2 ASN 114 -7.799 9.246 3.282 871 HB3 ASN 114 HB3 ASN 114 -9.424 9.120 2.627 872 HD21 ASN 114 HD21 ASN 114 -10.113 6.867 1.797 873 HD22 ASN 114 HD22 ASN 114 -9.206 5.493 2.448 874 H ARG 115 H ARG 115 -6.346 10.584 -0.460 875 HA ARG 115 HA ARG 115 -5.911 12.735 -1.025 876 HB2 ARG 115 HB2 ARG 115 -8.037 13.796 0.854 877 HB3 ARG 115 HB3 ARG 115 -7.321 14.574 -0.542 878 HG2 ARG 115 HG2 ARG 115 -9.253 12.219 -0.596 879 HG3 ARG 115 HG3 ARG 115 -9.559 13.899 -1.055 880 HD2 ARG 115 HD2 ARG 115 -7.551 13.516 -2.728 881 HD3 ARG 115 HD3 ARG 115 -7.887 11.807 -2.465 882 HE ARG 115 HE ARG 115 -10.064 12.057 -3.334 883 HH11 ARG 115 HH11 ARG 115 -8.113 15.010 -3.697 884 HH12 ARG 115 HH12 ARG 115 -9.394 15.981 -4.328 885 HH21 ARG 115 HH21 ARG 115 -11.584 13.156 -4.722 886 HH22 ARG 115 HH22 ARG 115 -11.327 14.843 -5.095 887 H GLU 116 H GLU 116 -5.085 11.402 1.804 888 HA GLU 116 HA GLU 116 -3.814 13.824 2.917 889 HB2 GLU 116 HB2 GLU 116 -4.598 11.164 4.156 890 HB3 GLU 116 HB3 GLU 116 -3.698 12.436 4.989 891 HG2 GLU 116 HG2 GLU 116 -5.633 13.935 4.827 892 HG3 GLU 116 HG3 GLU 116 -6.518 12.763 3.844 893 H TYR 117 H TYR 117 -1.615 13.764 2.993 894 HA TYR 117 HA TYR 117 -0.265 11.621 1.456 895 HB2 TYR 117 HB2 TYR 117 0.698 14.329 2.425 896 HB3 TYR 117 HB3 TYR 117 1.669 13.179 1.523 897 HD1 TYR 117 HD1 TYR 117 -1.695 13.085 0.170 898 HD2 TYR 117 HD2 TYR 117 1.971 15.358 0.155 899 HE1 TYR 117 HE1 TYR 117 -2.405 14.167 -1.872 900 HE2 TYR 117 HE2 TYR 117 1.249 16.441 -1.961 901 HH TYR 117 HH TYR 117 -1.989 15.927 -3.357 902 H TYR 118 H TYR 118 0.916 10.015 2.389 903 HA TYR 118 HA TYR 118 1.674 10.364 5.268 904 HB2 TYR 118 HB2 TYR 118 0.780 7.837 3.888 905 HB3 TYR 118 HB3 TYR 118 1.367 7.944 5.532 906 HD1 TYR 118 HD1 TYR 118 -1.490 8.723 3.288 907 HD2 TYR 118 HD2 TYR 118 0.014 8.876 7.340 908 HE1 TYR 118 HE1 TYR 118 -3.756 9.161 4.107 909 HE2 TYR 118 HE2 TYR 118 -2.263 9.353 8.164 910 HH TYR 118 HH TYR 118 -4.459 10.024 7.498 911 H ARG 119 H ARG 119 3.757 10.248 5.667 912 HA ARG 119 HA ARG 119 5.639 9.509 3.553 913 HB2 ARG 119 HB2 ARG 119 6.163 11.336 5.081 914 HB3 ARG 119 HB3 ARG 119 6.127 10.243 6.470 915 HG2 ARG 119 HG2 ARG 119 7.887 9.442 4.186 916 HG3 ARG 119 HG3 ARG 119 8.386 10.912 5.021 917 HD2 ARG 119 HD2 ARG 119 7.825 8.305 6.500 918 HD3 ARG 119 HD3 ARG 119 9.394 8.732 5.850 919 HE ARG 119 HE ARG 119 7.995 9.961 8.159 920 HH11 ARG 119 HH11 ARG 119 11.106 9.807 6.488 921 HH12 ARG 119 HH12 ARG 119 11.716 11.195 7.312 922 HH21 ARG 119 HH21 ARG 119 9.058 11.417 9.465 923 HH22 ARG 119 HH22 ARG 119 10.654 11.998 9.078 924 H ALA 120 H ALA 120 6.365 7.541 3.170 925 HA ALA 120 HA ALA 120 5.910 5.410 5.159 926 HB1 ALA 120 HB1 ALA 120 5.856 5.028 2.150 927 HB2 ALA 120 HB2 ALA 120 5.318 3.902 3.413 928 HB3 ALA 120 HB3 ALA 120 4.399 5.389 3.098 929 H VAL 121 H VAL 121 7.477 3.615 5.024 930 HA VAL 121 HA VAL 121 10.133 4.365 3.891 931 HB VAL 121 HB VAL 121 9.898 4.737 6.299 932 HG11 VAL 121 HG11 VAL 121 9.586 3.052 7.905 933 HG12 VAL 121 HG12 VAL 121 8.179 3.358 6.897 934 HG13 VAL 121 HG13 VAL 121 9.156 1.876 6.643 935 HG21 VAL 121 HG21 VAL 121 11.634 2.273 6.118 936 HG22 VAL 121 HG22 VAL 121 12.100 3.751 5.266 937 HG23 VAL 121 HG23 VAL 121 11.895 3.787 7.012 938 H LEU 122 H LEU 122 11.446 2.783 3.126 939 HA LEU 122 HA LEU 122 10.257 0.522 1.934 940 HB2 LEU 122 HB2 LEU 122 12.259 1.933 1.200 941 HB3 LEU 122 HB3 LEU 122 13.228 1.106 2.422 942 HG LEU 122 HG LEU 122 12.774 -1.025 1.250 943 HD11 LEU 122 HD11 LEU 122 10.628 -0.720 0.217 944 HD12 LEU 122 HD12 LEU 122 11.745 -0.670 -1.163 945 HD13 LEU 122 HD13 LEU 122 11.162 0.839 -0.471 946 HD21 LEU 122 HD21 LEU 122 14.039 -0.599 -0.854 947 HD22 LEU 122 HD22 LEU 122 14.749 0.372 0.468 948 HD23 LEU 122 HD23 LEU 122 13.686 1.116 -0.742 949 H ILE 123 H ILE 123 9.756 -1.448 2.828 950 HA ILE 123 HA ILE 123 10.544 -1.958 5.619 951 HB ILE 123 HB ILE 123 8.638 -3.291 3.667 952 HG12 ILE 123 HG12 ILE 123 7.955 -2.025 6.323 953 HG13 ILE 123 HG13 ILE 123 8.211 -0.985 4.916 954 HG21 ILE 123 HG21 ILE 123 9.381 -4.125 6.504 955 HG22 ILE 123 HG22 ILE 123 7.821 -4.556 5.787 956 HG23 ILE 123 HG23 ILE 123 9.286 -5.119 5.026 957 HD11 ILE 123 HD11 ILE 123 6.338 -3.344 4.760 958 HD12 ILE 123 HD12 ILE 123 5.796 -1.742 5.286 959 HD13 ILE 123 HD13 ILE 123 6.496 -1.956 3.675 960 H LYS 124 H LYS 124 10.664 -3.583 2.448 961 HA LYS 124 HA LYS 124 12.013 -5.890 2.976 962 HB2 LYS 124 HB2 LYS 124 12.764 -5.601 0.603 963 HB3 LYS 124 HB3 LYS 124 11.030 -5.539 0.862 964 HG2 LYS 124 HG2 LYS 124 10.969 -3.205 0.498 965 HG3 LYS 124 HG3 LYS 124 12.706 -3.029 0.797 966 HD2 LYS 124 HD2 LYS 124 11.773 -4.584 -1.608 967 HD3 LYS 124 HD3 LYS 124 11.773 -2.831 -1.586 968 HE2 LYS 124 HE2 LYS 124 13.891 -3.022 -2.343 969 HE3 LYS 124 HE3 LYS 124 14.264 -3.157 -0.618 970 HZ1 LYS 124 HZ1 LYS 124 15.324 -4.827 -1.991 971 HZ2 LYS 124 HZ2 LYS 124 13.885 -5.364 -2.534 972 HZ3 LYS 124 HZ3 LYS 124 14.339 -5.562 -0.924 973 H ASN 125 H ASN 125 13.342 -2.722 3.110 974 HA ASN 125 HA ASN 125 16.153 -3.284 2.749 975 HB2 ASN 125 HB2 ASN 125 15.187 -1.108 2.235 976 HB3 ASN 125 HB3 ASN 125 14.506 -0.954 3.861 977 HD21 ASN 125 HD21 ASN 125 15.605 0.985 4.420 978 HD22 ASN 125 HD22 ASN 125 17.322 1.113 4.396 979 H GLU 126 H GLU 126 14.217 -2.237 5.649 980 HA GLU 126 HA GLU 126 16.261 -3.069 7.498 981 HB2 GLU 126 HB2 GLU 126 14.674 -2.292 9.154 982 HB3 GLU 126 HB3 GLU 126 14.758 -1.130 7.814 983 HG2 GLU 126 HG2 GLU 126 12.667 -1.930 6.899 984 HG3 GLU 126 HG3 GLU 126 12.692 -3.337 7.985 985 H LYS 127 H LYS 127 14.214 -4.883 5.773 986 HA LYS 127 HA LYS 127 13.288 -6.866 7.730 987 HB2 LYS 127 HB2 LYS 127 13.088 -6.472 4.764 988 HB3 LYS 127 HB3 LYS 127 12.886 -8.107 5.305 989 HG2 LYS 127 HG2 LYS 127 11.295 -5.912 6.632 990 HG3 LYS 127 HG3 LYS 127 10.838 -6.571 5.055 991 HD2 LYS 127 HD2 LYS 127 9.630 -7.551 6.980 992 HD3 LYS 127 HD3 LYS 127 10.359 -8.709 5.895 993 HE2 LYS 127 HE2 LYS 127 11.700 -7.857 8.497 994 HE3 LYS 127 HE3 LYS 127 10.464 -9.102 8.435 995 HZ1 LYS 127 HZ1 LYS 127 12.569 -10.166 8.318 996 HZ2 LYS 127 HZ2 LYS 127 13.087 -9.273 7.069 997 HZ3 LYS 127 HZ3 LYS 127 11.858 -10.335 6.852 998 H GLU 128 H GLU 128 16.128 -6.137 7.216 999 HA GLU 128 HA GLU 128 17.391 -8.514 6.169 1000 HB2 GLU 128 HB2 GLU 128 18.297 -6.006 6.601 1001 HB3 GLU 128 HB3 GLU 128 18.895 -6.728 8.094 1002 HG2 GLU 128 HG2 GLU 128 19.444 -7.737 5.255 1003 HG3 GLU 128 HG3 GLU 128 20.522 -6.678 6.156 Start of MODEL 10 1 H1 GLY 1 H GLY 1 17.868 -27.948 -1.528 2 HA2 GLY 1 HA2 GLY 1 18.449 -28.100 0.883 3 HA3 GLY 1 HA3 GLY 1 19.718 -28.780 -0.180 4 H SER 2 H SER 2 19.742 -27.177 2.596 5 HA SER 2 HA SER 2 20.875 -24.695 2.196 6 HB2 SER 2 HB2 SER 2 21.759 -26.553 4.408 7 HB3 SER 2 HB3 SER 2 21.507 -24.806 4.448 8 HG SER 2 HG SER 2 19.187 -25.301 4.178 9 H THR 3 H THR 3 22.609 -24.168 1.015 10 HA THR 3 HA THR 3 25.211 -25.379 1.381 11 HB THR 3 HB THR 3 23.880 -25.553 -1.355 12 HG1 THR 3 HG1 THR 3 23.847 -27.232 0.637 13 HG21 THR 3 HG21 THR 3 25.989 -26.639 -2.056 14 HG22 THR 3 HG22 THR 3 26.690 -26.349 -0.451 15 HG23 THR 3 HG23 THR 3 26.300 -24.977 -1.510 16 H MET 4 H MET 4 25.554 -23.383 2.226 17 HA MET 4 HA MET 4 24.861 -20.866 0.994 18 HB2 MET 4 HB2 MET 4 26.190 -19.916 2.815 19 HB3 MET 4 HB3 MET 4 25.187 -21.221 3.451 20 HG2 MET 4 HG2 MET 4 27.191 -22.756 3.277 21 HG3 MET 4 HG3 MET 4 28.137 -21.402 2.709 22 HE1 MET 4 HE1 MET 4 26.615 -21.839 7.057 23 HE2 MET 4 HE2 MET 4 25.511 -21.688 5.668 24 HE3 MET 4 HE3 MET 4 26.520 -23.142 5.860 25 H HIS 5 H HIS 5 26.574 -19.200 0.408 26 HA HIS 5 HA HIS 5 29.141 -20.196 -0.509 27 HB2 HIS 5 HB2 HIS 5 27.286 -20.567 -2.341 28 HB3 HIS 5 HB3 HIS 5 27.328 -18.811 -2.514 29 HD1 HIS 5 HD1 HIS 5 29.152 -18.032 -4.224 30 HD2 HIS 5 HD2 HIS 5 29.870 -21.807 -2.498 31 HE1 HIS 5 HE1 HIS 5 31.273 -18.950 -5.327 32 H PHE 6 H PHE 6 30.651 -18.469 -0.531 33 HA PHE 6 HA PHE 6 29.697 -15.982 0.760 34 HB2 PHE 6 HB2 PHE 6 32.474 -17.036 0.121 35 HB3 PHE 6 HB3 PHE 6 32.159 -15.436 0.772 36 HD1 PHE 6 HD2 PHE 6 30.552 -15.384 2.936 37 HD2 PHE 6 HD1 PHE 6 33.023 -18.703 1.703 38 HE1 PHE 6 HE2 PHE 6 30.539 -16.254 5.259 39 HE2 PHE 6 HE1 PHE 6 33.008 -19.569 4.033 40 HZ PHE 6 HZ PHE 6 31.755 -18.348 5.809 41 H THR 7 H THR 7 28.558 -14.880 -0.777 42 HA THR 7 HA THR 7 30.066 -13.789 -3.042 43 HB THR 7 HB THR 7 27.684 -14.135 -4.253 44 HG1 THR 7 HG1 THR 7 26.863 -15.335 -2.411 45 HG21 THR 7 HG21 THR 7 28.625 -16.145 -5.336 46 HG22 THR 7 HG22 THR 7 29.872 -16.232 -4.072 47 HG23 THR 7 HG23 THR 7 29.814 -14.847 -5.171 48 H ASP 8 H ASP 8 28.266 -12.077 -4.060 49 HA ASP 8 HA ASP 8 28.098 -10.063 -2.025 50 HB2 ASP 8 HB2 ASP 8 27.447 -10.304 -4.965 51 HB3 ASP 8 HB3 ASP 8 26.770 -8.940 -4.091 52 H ASP 9 H ASP 9 26.050 -8.665 -2.109 53 HA ASP 9 HA ASP 9 23.976 -10.032 -0.700 54 HB2 ASP 9 HB2 ASP 9 22.919 -7.865 -0.564 55 HB3 ASP 9 HB3 ASP 9 24.657 -7.669 -0.269 56 H ASN 10 H ASN 10 21.621 -9.821 -1.376 57 HA ASN 10 HA ASN 10 21.214 -9.987 -4.316 58 HB2 ASN 10 HB2 ASN 10 20.677 -12.166 -2.237 59 HB3 ASN 10 HB3 ASN 10 19.732 -12.074 -3.709 60 HD21 ASN 10 HD21 ASN 10 22.290 -13.744 -2.534 61 HD22 ASN 10 HD22 ASN 10 23.099 -13.939 -4.076 62 H GLU 11 H GLU 11 19.307 -9.185 -4.947 63 HA GLU 11 HA GLU 11 17.767 -7.588 -3.242 64 HB2 GLU 11 HB2 GLU 11 17.286 -8.779 -6.009 65 HB3 GLU 11 HB3 GLU 11 16.167 -7.650 -5.234 66 HG2 GLU 11 HG2 GLU 11 17.611 -6.465 -6.785 67 HG3 GLU 11 HG3 GLU 11 17.804 -5.909 -5.126 68 H ASN 12 H ASN 12 15.979 -7.978 -2.034 69 HA ASN 12 HA ASN 12 14.528 -10.553 -2.201 70 HB2 ASN 12 HB2 ASN 12 16.082 -11.021 -0.412 71 HB3 ASN 12 HB3 ASN 12 15.722 -9.488 0.390 72 HD21 ASN 12 HD21 ASN 12 14.170 -9.655 2.037 73 HD22 ASN 12 HD22 ASN 12 12.925 -10.875 2.116 74 H ASP 13 H ASP 13 13.140 -9.302 -3.356 75 HA ASP 13 HA ASP 13 11.994 -6.915 -2.186 76 HB2 ASP 13 HB2 ASP 13 11.652 -8.284 -4.826 77 HB3 ASP 13 HB3 ASP 13 10.607 -6.946 -4.336 78 H THR 14 H THR 14 9.278 -7.152 -2.982 79 HA THR 14 HA THR 14 8.447 -8.669 -0.546 80 HB THR 14 HB THR 14 7.954 -6.241 -0.825 81 HG1 THR 14 HG1 THR 14 5.803 -8.013 -0.448 82 HG21 THR 14 HG21 THR 14 5.918 -7.145 -2.903 83 HG22 THR 14 HG22 THR 14 7.309 -6.085 -3.184 84 HG23 THR 14 HG23 THR 14 5.987 -5.573 -2.125 85 H SER 15 H SER 15 7.926 -8.586 -3.926 86 HA SER 15 HA SER 15 6.871 -9.903 -5.452 87 HB2 SER 15 HB2 SER 15 7.343 -12.095 -3.421 88 HB3 SER 15 HB3 SER 15 7.145 -12.272 -5.183 89 HG SER 15 HG SER 15 9.068 -10.591 -5.003 90 H GLU 16 H GLU 16 5.119 -8.386 -4.160 91 HA GLU 16 HA GLU 16 2.738 -9.996 -4.196 92 HB2 GLU 16 HB2 GLU 16 1.860 -9.515 -2.115 93 HB3 GLU 16 HB3 GLU 16 3.511 -10.068 -1.866 94 HG2 GLU 16 HG2 GLU 16 4.233 -7.751 -1.457 95 HG3 GLU 16 HG3 GLU 16 2.534 -7.276 -1.467 96 H THR 17 H THR 17 0.765 -8.341 -3.977 97 HA THR 17 HA THR 17 1.488 -5.900 -5.506 98 HB THR 17 HB THR 17 0.720 -7.643 -7.045 99 HG1 THR 17 HG1 THR 17 -0.789 -6.528 -8.024 100 HG21 THR 17 HG21 THR 17 -0.650 -9.073 -5.682 101 HG22 THR 17 HG22 THR 17 -1.695 -8.392 -6.928 102 HG23 THR 17 HG23 THR 17 -1.748 -7.735 -5.277 103 H MET 18 H MET 18 -0.528 -4.344 -5.439 104 HA MET 18 HA MET 18 -0.859 -3.705 -2.749 105 HB2 MET 18 HB2 MET 18 -2.300 -2.916 -5.302 106 HB3 MET 18 HB3 MET 18 -2.941 -2.349 -3.771 107 HG2 MET 18 HG2 MET 18 -0.010 -2.027 -4.159 108 HG3 MET 18 HG3 MET 18 -1.022 -1.044 -5.193 109 HE1 MET 18 HE1 MET 18 -1.880 -0.660 -0.637 110 HE2 MET 18 HE2 MET 18 -2.807 -1.700 -1.711 111 HE3 MET 18 HE3 MET 18 -1.127 -2.118 -1.311 112 H GLU 19 H GLU 19 -2.834 -5.680 -4.911 113 HA GLU 19 HA GLU 19 -5.198 -5.871 -3.361 114 HB2 GLU 19 HB2 GLU 19 -4.034 -7.829 -5.395 115 HB3 GLU 19 HB3 GLU 19 -5.697 -7.808 -4.786 116 HG2 GLU 19 HG2 GLU 19 -5.882 -5.428 -5.635 117 HG3 GLU 19 HG3 GLU 19 -4.310 -5.612 -6.401 118 H SER 20 H SER 20 -2.231 -8.016 -3.429 119 HA SER 20 HA SER 20 -3.123 -9.973 -1.669 120 HB2 SER 20 HB2 SER 20 -0.314 -8.791 -1.870 121 HB3 SER 20 HB3 SER 20 -0.744 -10.420 -1.333 122 HG SER 20 HG SER 20 -1.537 -10.832 -3.404 123 H LEU 21 H LEU 21 -1.719 -6.765 -1.077 124 HA LEU 21 HA LEU 21 -1.281 -7.135 1.715 125 HB2 LEU 21 HB2 LEU 21 -2.019 -4.528 0.290 126 HB3 LEU 21 HB3 LEU 21 -1.309 -4.676 1.867 127 HG LEU 21 HG LEU 21 -0.076 -5.022 -0.838 128 HD11 LEU 21 HD11 LEU 21 -0.163 -2.895 0.410 129 HD12 LEU 21 HD12 LEU 21 1.509 -3.418 0.114 130 HD13 LEU 21 HD13 LEU 21 0.781 -3.617 1.719 131 HD21 LEU 21 HD21 LEU 21 1.020 -6.256 1.702 132 HD22 LEU 21 HD22 LEU 21 2.046 -5.825 0.326 133 HD23 LEU 21 HD23 LEU 21 0.741 -7.022 0.120 134 H ILE 22 H ILE 22 -3.972 -5.470 0.008 135 HA ILE 22 HA ILE 22 -5.510 -5.006 2.326 136 HB ILE 22 HB ILE 22 -6.340 -5.407 -0.590 137 HG12 ILE 22 HG12 ILE 22 -5.945 -2.794 0.959 138 HG13 ILE 22 HG13 ILE 22 -4.677 -3.522 -0.026 139 HG21 ILE 22 HG21 ILE 22 -8.422 -4.172 0.058 140 HG22 ILE 22 HG22 ILE 22 -8.266 -5.714 0.879 141 HG23 ILE 22 HG23 ILE 22 -7.858 -4.235 1.766 142 HD11 ILE 22 HD11 ILE 22 -7.359 -2.545 -1.053 143 HD12 ILE 22 HD12 ILE 22 -5.742 -1.900 -1.384 144 HD13 ILE 22 HD13 ILE 22 -6.198 -3.497 -2.000 145 H ASP 23 H ASP 23 -5.525 -7.777 0.059 146 HA ASP 23 HA ASP 23 -7.726 -9.209 1.009 147 HB2 ASP 23 HB2 ASP 23 -6.476 -9.631 -1.071 148 HB3 ASP 23 HB3 ASP 23 -5.107 -10.250 -0.137 149 H LYS 24 H LYS 24 -4.485 -8.949 2.404 150 HA LYS 24 HA LYS 24 -5.219 -11.002 4.468 151 HB2 LYS 24 HB2 LYS 24 -3.005 -11.435 4.683 152 HB3 LYS 24 HB3 LYS 24 -2.875 -10.672 3.119 153 HG2 LYS 24 HG2 LYS 24 -1.203 -9.569 4.196 154 HG3 LYS 24 HG3 LYS 24 -2.482 -8.464 4.555 155 HD2 LYS 24 HD2 LYS 24 -2.475 -10.494 6.640 156 HD3 LYS 24 HD3 LYS 24 -0.810 -10.013 6.374 157 HE2 LYS 24 HE2 LYS 24 -1.086 -8.035 7.413 158 HE3 LYS 24 HE3 LYS 24 -2.511 -7.662 6.470 159 HZ1 LYS 24 HZ1 LYS 24 -2.493 -9.201 8.983 160 HZ2 LYS 24 HZ2 LYS 24 -3.814 -8.999 8.014 161 HZ3 LYS 24 HZ3 LYS 24 -3.126 -7.707 8.727 162 H GLY 25 H GLY 25 -5.187 -7.604 4.031 163 HA2 GLY 25 HA2 GLY 25 -6.123 -6.073 5.562 164 HA3 GLY 25 HA3 GLY 25 -5.766 -7.156 6.905 165 H LYS 26 H LYS 26 -3.613 -6.002 4.282 166 HA LYS 26 HA LYS 26 -1.781 -4.885 6.352 167 HB2 LYS 26 HB2 LYS 26 -1.328 -6.013 3.603 168 HB3 LYS 26 HB3 LYS 26 -0.303 -4.676 4.124 169 HG2 LYS 26 HG2 LYS 26 0.190 -6.049 6.206 170 HG3 LYS 26 HG3 LYS 26 -0.574 -7.389 5.368 171 HD2 LYS 26 HD2 LYS 26 1.576 -5.988 3.827 172 HD3 LYS 26 HD3 LYS 26 2.064 -6.827 5.281 173 HE2 LYS 26 HE2 LYS 26 0.827 -8.878 4.440 174 HE3 LYS 26 HE3 LYS 26 0.667 -8.083 2.877 175 HZ1 LYS 26 HZ1 LYS 26 3.051 -8.138 2.646 176 HZ2 LYS 26 HZ2 LYS 26 2.589 -9.581 3.092 177 HZ3 LYS 26 HZ3 LYS 26 3.255 -8.618 4.245 178 H LEU 27 H LEU 27 -3.421 -3.185 6.617 179 HA LEU 27 HA LEU 27 -3.624 -1.215 4.392 180 HB2 LEU 27 HB2 LEU 27 -4.962 -1.194 7.118 181 HB3 LEU 27 HB3 LEU 27 -5.173 -0.002 5.863 182 HG LEU 27 HG LEU 27 -7.074 -1.294 5.701 183 HD11 LEU 27 HD11 LEU 27 -5.979 -0.939 3.475 184 HD12 LEU 27 HD12 LEU 27 -7.015 -2.387 3.532 185 HD13 LEU 27 HD13 LEU 27 -5.254 -2.561 3.612 186 HD21 LEU 27 HD21 LEU 27 -5.529 -3.875 5.534 187 HD22 LEU 27 HD22 LEU 27 -7.268 -3.658 5.770 188 HD23 LEU 27 HD23 LEU 27 -6.130 -3.240 7.069 189 H ASP 28 H ASP 28 -1.372 -1.857 6.729 190 HA ASP 28 HA ASP 28 -0.791 1.019 7.283 191 HB2 ASP 28 HB2 ASP 28 0.544 -1.421 8.502 192 HB3 ASP 28 HB3 ASP 28 0.804 0.259 8.924 193 H GLN 29 H GLN 29 -0.219 -0.911 4.749 194 HA GLN 29 HA GLN 29 2.307 0.378 4.102 195 HB2 GLN 29 HB2 GLN 29 3.436 -1.803 3.589 196 HB3 GLN 29 HB3 GLN 29 3.201 -1.419 5.274 197 HG2 GLN 29 HG2 GLN 29 1.032 -2.972 4.967 198 HG3 GLN 29 HG3 GLN 29 2.011 -3.627 3.658 199 HE21 GLN 29 HE21 GLN 29 4.608 -3.411 4.793 200 HE22 GLN 29 HE22 GLN 29 4.686 -4.383 6.244 201 H VAL 30 H VAL 30 2.853 0.035 1.795 202 HA VAL 30 HA VAL 30 0.608 -1.010 0.106 203 HB VAL 30 HB VAL 30 0.687 0.973 -1.292 204 HG11 VAL 30 HG11 VAL 30 0.126 1.823 1.573 205 HG12 VAL 30 HG12 VAL 30 -0.599 2.444 0.078 206 HG13 VAL 30 HG13 VAL 30 -0.942 0.794 0.618 207 HG21 VAL 30 HG21 VAL 30 2.341 2.351 0.850 208 HG22 VAL 30 HG22 VAL 30 3.011 1.737 -0.677 209 HG23 VAL 30 HG23 VAL 30 1.753 2.950 -0.730 210 H VAL 31 H VAL 31 1.196 -1.279 -2.275 211 HA VAL 31 HA VAL 31 4.047 -1.721 -2.578 212 HB VAL 31 HB VAL 31 2.291 -3.209 -4.413 213 HG11 VAL 31 HG11 VAL 31 4.793 -3.938 -3.012 214 HG12 VAL 31 HG12 VAL 31 3.935 -4.871 -4.263 215 HG13 VAL 31 HG13 VAL 31 4.632 -3.289 -4.672 216 HG21 VAL 31 HG21 VAL 31 2.912 -4.188 -1.580 217 HG22 VAL 31 HG22 VAL 31 1.268 -3.848 -2.191 218 HG23 VAL 31 HG23 VAL 31 2.228 -5.196 -2.839 219 H TYR 32 H TYR 32 5.050 -0.925 -4.351 220 HA TYR 32 HA TYR 32 3.693 0.152 -6.690 221 HB2 TYR 32 HB2 TYR 32 3.533 2.145 -5.301 222 HB3 TYR 32 HB3 TYR 32 5.106 1.821 -4.589 223 HD1 TYR 32 HD1 TYR 32 4.204 2.100 -8.281 224 HD2 TYR 32 HD2 TYR 32 6.473 3.631 -4.944 225 HE1 TYR 32 HE1 TYR 32 5.469 3.548 -9.793 226 HE2 TYR 32 HE2 TYR 32 7.750 5.081 -6.452 227 HH TYR 32 HH TYR 32 7.662 4.649 -9.908 228 H ASP 33 H ASP 33 5.115 -0.142 -8.327 229 HA ASP 33 HA ASP 33 6.968 -0.847 -9.467 230 HB2 ASP 33 HB2 ASP 33 7.477 1.469 -8.441 231 HB3 ASP 33 HB3 ASP 33 8.484 0.637 -7.276 232 H ASP 34 H ASP 34 5.959 -2.637 -7.389 233 HA ASP 34 HA ASP 34 6.398 -4.705 -6.509 234 HB2 ASP 34 HB2 ASP 34 7.787 -4.926 -8.650 235 HB3 ASP 34 HB3 ASP 34 9.209 -4.572 -7.622 236 H GLN 35 H GLN 35 6.981 -2.241 -5.096 237 HA GLN 35 HA GLN 35 9.045 -3.250 -3.158 238 HB2 GLN 35 HB2 GLN 35 8.506 -0.324 -3.691 239 HB3 GLN 35 HB3 GLN 35 9.732 -1.041 -2.652 240 HG2 GLN 35 HG2 GLN 35 9.679 -0.820 -5.645 241 HG3 GLN 35 HG3 GLN 35 10.847 -0.272 -4.465 242 HE21 GLN 35 HE21 GLN 35 11.581 -2.467 -2.984 243 HE22 GLN 35 HE22 GLN 35 12.116 -3.741 -4.072 244 H LEU 36 H LEU 36 8.635 -2.871 -1.106 245 HA LEU 36 HA LEU 36 5.797 -2.174 -0.436 246 HB2 LEU 36 HB2 LEU 36 6.377 -4.553 -0.249 247 HB3 LEU 36 HB3 LEU 36 7.580 -4.187 0.974 248 HG LEU 36 HG LEU 36 5.875 -3.600 2.553 249 HD11 LEU 36 HD11 LEU 36 4.275 -2.287 1.483 250 HD12 LEU 36 HD12 LEU 36 3.405 -3.769 1.886 251 HD13 LEU 36 HD13 LEU 36 3.972 -3.509 0.225 252 HD21 LEU 36 HD21 LEU 36 4.864 -5.891 0.890 253 HD22 LEU 36 HD22 LEU 36 4.658 -5.681 2.660 254 HD23 LEU 36 HD23 LEU 36 6.265 -5.977 1.956 255 H TYR 37 H TYR 37 5.538 -0.458 0.772 256 HA TYR 37 HA TYR 37 7.773 0.299 2.534 257 HB2 TYR 37 HB2 TYR 37 5.797 2.302 1.498 258 HB3 TYR 37 HB3 TYR 37 7.444 2.573 2.062 259 HD1 TYR 37 HD1 TYR 37 9.132 0.952 0.349 260 HD2 TYR 37 HD2 TYR 37 5.538 3.154 -0.576 261 HE1 TYR 37 HE1 TYR 37 9.914 1.245 -1.981 262 HE2 TYR 37 HE2 TYR 37 6.285 3.388 -2.900 263 HH TYR 37 HH TYR 37 9.568 2.390 -3.938 264 H HIS 38 H HIS 38 7.239 0.914 4.608 265 HA HIS 38 HA HIS 38 4.603 0.176 5.606 266 HB2 HIS 38 HB2 HIS 38 7.342 0.093 6.475 267 HB3 HIS 38 HB3 HIS 38 6.526 1.125 7.598 268 HD1 HIS 38 HD1 HIS 38 7.525 -1.618 8.646 269 HD2 HIS 38 HD2 HIS 38 3.646 -0.714 7.257 270 HE1 HIS 38 HE1 HIS 38 5.955 -3.333 9.711 271 H LEU 39 H LEU 39 3.133 1.757 6.178 272 HA LEU 39 HA LEU 39 3.760 4.581 5.823 273 HB2 LEU 39 HB2 LEU 39 1.402 3.277 7.262 274 HB3 LEU 39 HB3 LEU 39 1.485 4.942 6.688 275 HG LEU 39 HG LEU 39 1.511 2.423 4.940 276 HD11 LEU 39 HD11 LEU 39 -0.553 4.647 5.249 277 HD12 LEU 39 HD12 LEU 39 -0.709 2.991 5.902 278 HD13 LEU 39 HD13 LEU 39 -0.649 3.253 4.132 279 HD21 LEU 39 HD21 LEU 39 2.771 4.248 3.865 280 HD22 LEU 39 HD22 LEU 39 1.408 5.368 4.181 281 HD23 LEU 39 HD23 LEU 39 1.234 4.011 3.031 282 H LYS 40 H LYS 40 4.276 6.078 7.411 283 HA LYS 40 HA LYS 40 4.743 5.022 10.190 284 HB2 LYS 40 HB2 LYS 40 6.357 7.149 8.701 285 HB3 LYS 40 HB3 LYS 40 6.687 6.510 10.309 286 HG2 LYS 40 HG2 LYS 40 6.802 4.973 7.684 287 HG3 LYS 40 HG3 LYS 40 8.190 5.604 8.549 288 HD2 LYS 40 HD2 LYS 40 6.283 3.554 9.786 289 HD3 LYS 40 HD3 LYS 40 7.711 3.119 8.887 290 HE2 LYS 40 HE2 LYS 40 9.116 4.499 10.385 291 HE3 LYS 40 HE3 LYS 40 7.675 4.859 11.368 292 HZ1 LYS 40 HZ1 LYS 40 9.171 2.371 11.110 293 HZ2 LYS 40 HZ2 LYS 40 7.560 2.258 11.472 294 HZ3 LYS 40 HZ3 LYS 40 8.581 3.090 12.454 295 H GLU 41 H GLU 41 4.362 7.981 8.340 296 HA GLU 41 HA GLU 41 2.380 8.918 10.372 297 HB2 GLU 41 HB2 GLU 41 3.475 10.962 10.927 298 HB3 GLU 41 HB3 GLU 41 4.676 9.687 11.109 299 HG2 GLU 41 HG2 GLU 41 5.411 10.272 8.697 300 HG3 GLU 41 HG3 GLU 41 4.387 11.689 8.831 301 H LYS 42 H LYS 42 1.436 11.042 9.836 302 HA LYS 42 HA LYS 42 0.700 11.132 6.955 303 HB2 LYS 42 HB2 LYS 42 -1.076 11.093 8.877 304 HB3 LYS 42 HB3 LYS 42 -0.660 12.781 9.118 305 HG2 LYS 42 HG2 LYS 42 -1.536 11.564 6.463 306 HG3 LYS 42 HG3 LYS 42 -2.679 12.195 7.624 307 HD2 LYS 42 HD2 LYS 42 -0.561 14.119 6.952 308 HD3 LYS 42 HD3 LYS 42 -1.502 13.570 5.545 309 HE2 LYS 42 HE2 LYS 42 -3.543 14.285 6.778 310 HE3 LYS 42 HE3 LYS 42 -2.490 14.962 8.031 311 HZ1 LYS 42 HZ1 LYS 42 -2.490 15.752 5.160 312 HZ2 LYS 42 HZ2 LYS 42 -1.359 16.216 6.208 313 HZ3 LYS 42 HZ3 LYS 42 -2.906 16.724 6.418 314 H VAL 43 H VAL 43 1.296 12.975 5.728 315 HA VAL 43 HA VAL 43 2.853 15.091 7.102 316 HB VAL 43 HB VAL 43 4.420 15.058 5.236 317 HG11 VAL 43 HG11 VAL 43 5.714 13.158 5.847 318 HG12 VAL 43 HG12 VAL 43 4.814 13.615 7.295 319 HG13 VAL 43 HG13 VAL 43 4.276 12.229 6.343 320 HG21 VAL 43 HG21 VAL 43 4.511 13.302 3.616 321 HG22 VAL 43 HG22 VAL 43 3.022 12.555 4.232 322 HG23 VAL 43 HG23 VAL 43 2.980 14.157 3.458 323 H ASP 44 H ASP 44 3.189 16.917 5.273 324 HA ASP 44 HA ASP 44 0.456 17.458 4.222 325 HB2 ASP 44 HB2 ASP 44 1.545 19.072 5.919 326 HB3 ASP 44 HB3 ASP 44 2.650 19.509 4.582 327 H GLU 45 H GLU 45 0.539 18.811 2.169 328 HA GLU 45 HA GLU 45 2.074 17.359 0.173 329 HB2 GLU 45 HB2 GLU 45 0.911 18.549 -1.436 330 HB3 GLU 45 HB3 GLU 45 -0.277 18.159 -0.196 331 HG2 GLU 45 HG2 GLU 45 -0.365 20.429 0.574 332 HG3 GLU 45 HG3 GLU 45 1.105 20.886 -0.281 333 H ASP 46 H ASP 46 2.791 19.971 2.241 334 HA ASP 46 HA ASP 46 4.614 21.236 0.315 335 HB2 ASP 46 HB2 ASP 46 3.157 22.443 2.074 336 HB3 ASP 46 HB3 ASP 46 4.358 21.910 3.262 337 H LYS 47 H LYS 47 4.729 18.433 1.985 338 HA LYS 47 HA LYS 47 7.570 18.658 2.874 339 HB2 LYS 47 HB2 LYS 47 5.673 16.297 3.190 340 HB3 LYS 47 HB3 LYS 47 7.158 16.598 4.066 341 HG2 LYS 47 HG2 LYS 47 4.487 17.990 4.366 342 HG3 LYS 47 HG3 LYS 47 5.349 17.019 5.543 343 HD2 LYS 47 HD2 LYS 47 7.165 19.033 5.164 344 HD3 LYS 47 HD3 LYS 47 5.649 19.864 4.740 345 HE2 LYS 47 HE2 LYS 47 6.152 20.228 7.064 346 HE3 LYS 47 HE3 LYS 47 4.690 19.249 6.928 347 HZ1 LYS 47 HZ1 LYS 47 6.573 18.586 8.592 348 HZ2 LYS 47 HZ2 LYS 47 7.286 17.907 7.276 349 HZ3 LYS 47 HZ3 LYS 47 5.815 17.398 7.760 350 H LYS 48 H LYS 48 5.571 17.314 0.396 351 HA LYS 48 HA LYS 48 7.366 15.189 -0.455 352 HB2 LYS 48 HB2 LYS 48 5.970 15.317 -2.587 353 HB3 LYS 48 HB3 LYS 48 5.099 14.851 -1.115 354 HG2 LYS 48 HG2 LYS 48 3.847 16.748 -1.100 355 HG3 LYS 48 HG3 LYS 48 5.185 17.746 -1.676 356 HD2 LYS 48 HD2 LYS 48 4.819 16.736 -3.975 357 HD3 LYS 48 HD3 LYS 48 3.298 16.100 -3.343 358 HE2 LYS 48 HE2 LYS 48 2.958 18.200 -4.559 359 HE3 LYS 48 HE3 LYS 48 2.528 18.373 -2.852 360 HZ1 LYS 48 HZ1 LYS 48 5.082 19.310 -4.020 361 HZ2 LYS 48 HZ2 LYS 48 4.576 19.489 -2.443 362 HZ3 LYS 48 HZ3 LYS 48 3.798 20.265 -3.618 363 H GLY 49 H GLY 49 9.206 15.374 -1.507 364 HA2 GLY 49 HA2 GLY 49 10.196 17.885 -2.477 365 HA3 GLY 49 HA3 GLY 49 10.940 16.312 -2.723 366 H LYS 50 H LYS 50 8.992 14.937 -4.215 367 HA LYS 50 HA LYS 50 8.028 16.422 -6.519 368 HB2 LYS 50 HB2 LYS 50 9.675 15.231 -8.050 369 HB3 LYS 50 HB3 LYS 50 10.424 16.461 -7.032 370 HG2 LYS 50 HG2 LYS 50 11.211 14.718 -5.456 371 HG3 LYS 50 HG3 LYS 50 10.466 13.465 -6.468 372 HD2 LYS 50 HD2 LYS 50 12.036 14.056 -8.312 373 HD3 LYS 50 HD3 LYS 50 12.755 15.309 -7.252 374 HE2 LYS 50 HE2 LYS 50 13.085 13.485 -5.507 375 HE3 LYS 50 HE3 LYS 50 12.645 12.290 -6.739 376 HZ1 LYS 50 HZ1 LYS 50 14.924 14.175 -6.959 377 HZ2 LYS 50 HZ2 LYS 50 14.624 12.859 -7.943 378 HZ3 LYS 50 HZ3 LYS 50 15.031 12.672 -6.373 379 H VAL 51 H VAL 51 7.125 14.858 -8.116 380 HA VAL 51 HA VAL 51 5.900 12.503 -6.817 381 HB VAL 51 HB VAL 51 5.641 13.872 -9.517 382 HG11 VAL 51 HG11 VAL 51 5.377 11.456 -9.954 383 HG12 VAL 51 HG12 VAL 51 4.220 11.324 -8.606 384 HG13 VAL 51 HG13 VAL 51 3.830 12.269 -10.054 385 HG21 VAL 51 HG21 VAL 51 3.575 13.342 -7.374 386 HG22 VAL 51 HG22 VAL 51 4.463 14.891 -7.560 387 HG23 VAL 51 HG23 VAL 51 3.380 14.325 -8.839 388 H ILE 52 H ILE 52 6.200 10.394 -7.635 389 HA ILE 52 HA ILE 52 8.616 9.904 -9.283 390 HB ILE 52 HB ILE 52 9.364 8.105 -7.850 391 HG12 ILE 52 HG12 ILE 52 7.365 9.140 -5.787 392 HG13 ILE 52 HG13 ILE 52 7.254 7.604 -6.657 393 HG21 ILE 52 HG21 ILE 52 10.309 10.429 -7.760 394 HG22 ILE 52 HG22 ILE 52 9.296 10.749 -6.335 395 HG23 ILE 52 HG23 ILE 52 10.562 9.490 -6.295 396 HD11 ILE 52 HD11 ILE 52 8.133 7.121 -4.496 397 HD12 ILE 52 HD12 ILE 52 9.468 6.936 -5.643 398 HD13 ILE 52 HD13 ILE 52 9.362 8.390 -4.618 399 H GLY 53 H GLY 53 5.435 8.861 -8.120 400 HA2 GLY 53 HA2 GLY 53 4.847 7.532 -10.553 401 HA3 GLY 53 HA3 GLY 53 5.164 6.365 -9.251 402 H ALA 54 H ALA 54 2.632 6.061 -9.817 403 HA ALA 54 HA ALA 54 1.189 7.550 -7.766 404 HB1 ALA 54 HB1 ALA 54 0.218 7.335 -10.660 405 HB2 ALA 54 HB2 ALA 54 -0.637 8.154 -9.337 406 HB3 ALA 54 HB3 ALA 54 0.896 8.809 -9.968 407 H ILE 55 H ILE 55 -0.149 6.122 -6.567 408 HA ILE 55 HA ILE 55 -0.250 3.381 -7.441 409 HB ILE 55 HB ILE 55 -1.765 4.836 -5.241 410 HG12 ILE 55 HG12 ILE 55 0.617 2.928 -5.163 411 HG13 ILE 55 HG13 ILE 55 0.682 4.663 -4.897 412 HG21 ILE 55 HG21 ILE 55 -2.337 2.591 -4.403 413 HG22 ILE 55 HG22 ILE 55 -3.097 2.985 -5.932 414 HG23 ILE 55 HG23 ILE 55 -1.686 1.877 -5.892 415 HD11 ILE 55 HD11 ILE 55 0.782 3.673 -2.760 416 HD12 ILE 55 HD12 ILE 55 -0.886 4.271 -2.892 417 HD13 ILE 55 HD13 ILE 55 -0.523 2.544 -3.097 418 H GLY 56 H GLY 56 -2.817 5.908 -7.229 419 HA2 GLY 56 HA2 GLY 56 -4.741 6.185 -8.442 420 HA3 GLY 56 HA3 GLY 56 -3.797 5.544 -9.794 421 H GLN 57 H GLN 57 -4.995 3.831 -6.816 422 HA GLN 57 HA GLN 57 -6.699 2.151 -8.557 423 HB2 GLN 57 HB2 GLN 57 -4.930 1.192 -6.268 424 HB3 GLN 57 HB3 GLN 57 -6.051 0.208 -7.223 425 HG2 GLN 57 HG2 GLN 57 -4.546 1.027 -9.228 426 HG3 GLN 57 HG3 GLN 57 -3.358 1.311 -7.957 427 HE21 GLN 57 HE21 GLN 57 -2.300 -0.575 -6.913 428 HE22 GLN 57 HE22 GLN 57 -2.618 -2.171 -7.537 429 H THR 58 H THR 58 -8.376 1.036 -7.301 430 HA THR 58 HA THR 58 -9.105 2.252 -4.745 431 HB THR 58 HB THR 58 -11.109 2.002 -7.017 432 HG1 THR 58 HG1 THR 58 -10.957 4.132 -7.376 433 HG21 THR 58 HG21 THR 58 -12.428 3.570 -5.536 434 HG22 THR 58 HG22 THR 58 -11.145 3.401 -4.303 435 HG23 THR 58 HG23 THR 58 -12.111 1.993 -4.792 436 H PHE 59 H PHE 59 -10.089 0.660 -3.392 437 HA PHE 59 HA PHE 59 -11.157 -1.827 -4.542 438 HB2 PHE 59 HB2 PHE 59 -8.940 -1.861 -2.486 439 HB3 PHE 59 HB3 PHE 59 -9.896 -3.248 -2.971 440 HD1 PHE 59 HD1 PHE 59 -9.908 -3.586 -5.766 441 HD2 PHE 59 HD2 PHE 59 -6.843 -1.740 -3.392 442 HE1 PHE 59 HE1 PHE 59 -8.276 -3.927 -7.586 443 HE2 PHE 59 HE2 PHE 59 -5.251 -1.940 -5.206 444 HZ PHE 59 HZ PHE 59 -5.941 -3.105 -7.350 445 H PHE 60 H PHE 60 -12.095 -3.184 -2.499 446 HA PHE 60 HA PHE 60 -13.003 -1.396 -0.334 447 HB2 PHE 60 HB2 PHE 60 -14.866 -3.131 -2.002 448 HB3 PHE 60 HB3 PHE 60 -15.305 -2.162 -0.609 449 HD1 PHE 60 HD1 PHE 60 -14.244 -2.038 -4.174 450 HD2 PHE 60 HD2 PHE 60 -15.830 0.184 -0.832 451 HE1 PHE 60 HE1 PHE 60 -14.745 -0.158 -5.668 452 HE2 PHE 60 HE2 PHE 60 -16.412 2.050 -2.351 453 HZ PHE 60 HZ PHE 60 -15.840 1.900 -4.783 454 H VAL 61 H VAL 61 -13.622 -2.584 1.642 455 HA VAL 61 HA VAL 61 -13.475 -5.485 1.498 456 HB VAL 61 HB VAL 61 -12.151 -5.681 3.511 457 HG11 VAL 61 HG11 VAL 61 -11.094 -5.936 1.363 458 HG12 VAL 61 HG12 VAL 61 -10.665 -4.206 1.333 459 HG13 VAL 61 HG13 VAL 61 -9.983 -5.298 2.578 460 HG21 VAL 61 HG21 VAL 61 -10.810 -3.819 4.360 461 HG22 VAL 61 HG22 VAL 61 -11.664 -2.700 3.255 462 HG23 VAL 61 HG23 VAL 61 -12.549 -3.573 4.547 463 H ASP 62 H ASP 62 -14.256 -6.398 3.711 464 HA ASP 62 HA ASP 62 -16.605 -4.847 4.643 465 HB2 ASP 62 HB2 ASP 62 -17.731 -6.785 4.749 466 HB3 ASP 62 HB3 ASP 62 -16.729 -7.172 3.361 467 H GLY 63 H GLY 63 -17.176 -6.056 6.995 468 HA2 GLY 63 HA2 GLY 63 -15.244 -4.982 8.787 469 HA3 GLY 63 HA3 GLY 63 -16.630 -5.980 9.209 470 H ASP 64 H ASP 64 -15.483 -8.154 7.240 471 HA ASP 64 HA ASP 64 -13.809 -9.489 9.296 472 HB2 ASP 64 HB2 ASP 64 -15.600 -10.665 7.908 473 HB3 ASP 64 HB3 ASP 64 -14.527 -10.500 6.520 474 H GLY 65 H GLY 65 -13.478 -7.557 6.468 475 HA2 GLY 65 HA2 GLY 65 -11.543 -6.439 5.782 476 HA3 GLY 65 HA3 GLY 65 -10.534 -7.641 6.616 477 H LYS 66 H LYS 66 -13.246 -8.661 4.528 478 HA LYS 66 HA LYS 66 -11.281 -10.014 2.789 479 HB2 LYS 66 HB2 LYS 66 -14.280 -10.299 3.234 480 HB3 LYS 66 HB3 LYS 66 -13.454 -11.025 1.868 481 HG2 LYS 66 HG2 LYS 66 -11.771 -11.819 3.920 482 HG3 LYS 66 HG3 LYS 66 -13.295 -11.697 4.782 483 HD2 LYS 66 HD2 LYS 66 -12.949 -13.974 3.993 484 HD3 LYS 66 HD3 LYS 66 -14.329 -13.239 3.154 485 HE2 LYS 66 HE2 LYS 66 -12.712 -12.688 1.251 486 HE3 LYS 66 HE3 LYS 66 -11.485 -13.642 2.080 487 HZ1 LYS 66 HZ1 LYS 66 -12.787 -15.583 1.707 488 HZ2 LYS 66 HZ2 LYS 66 -12.872 -14.731 0.283 489 HZ3 LYS 66 HZ3 LYS 66 -14.122 -14.717 1.324 490 H ARG 67 H ARG 67 -11.058 -9.686 0.685 491 HA ARG 67 HA ARG 67 -11.689 -7.056 -0.353 492 HB2 ARG 67 HB2 ARG 67 -9.952 -9.299 -1.024 493 HB3 ARG 67 HB3 ARG 67 -10.889 -8.892 -2.447 494 HG2 ARG 67 HG2 ARG 67 -9.319 -6.871 -0.803 495 HG3 ARG 67 HG3 ARG 67 -8.661 -7.712 -2.209 496 HD2 ARG 67 HD2 ARG 67 -11.152 -5.938 -2.286 497 HD3 ARG 67 HD3 ARG 67 -9.520 -5.401 -2.698 498 HE ARG 67 HE ARG 67 -11.258 -7.218 -4.247 499 HH11 ARG 67 HH11 ARG 67 -7.993 -5.763 -4.044 500 HH12 ARG 67 HH12 ARG 67 -7.602 -6.464 -5.621 501 HH21 ARG 67 HH21 ARG 67 -10.569 -7.936 -6.314 502 HH22 ARG 67 HH22 ARG 67 -8.956 -7.524 -6.870 503 H TRP 68 H TRP 68 -13.673 -6.478 -1.076 504 HA TRP 68 HA TRP 68 -15.781 -8.361 -1.505 505 HB2 TRP 68 HB2 TRP 68 -15.314 -5.453 -2.210 506 HB3 TRP 68 HB3 TRP 68 -16.693 -6.285 -2.860 507 HD1 TRP 68 HD1 TRP 68 -15.316 -5.727 0.753 508 HE1 TRP 68 HE1 TRP 68 -17.297 -5.206 2.266 509 HE3 TRP 68 HE3 TRP 68 -19.066 -6.479 -2.616 510 HZ2 TRP 68 HZ2 TRP 68 -20.220 -5.221 2.047 511 HZ3 TRP 68 HZ3 TRP 68 -21.435 -6.347 -1.915 512 HH2 TRP 68 HH2 TRP 68 -22.025 -5.724 0.410 513 H SER 69 H SER 69 -16.432 -9.468 -3.338 514 HA SER 69 HA SER 69 -14.666 -9.629 -5.610 515 HB2 SER 69 HB2 SER 69 -17.505 -10.627 -5.634 516 HB3 SER 69 HB3 SER 69 -16.070 -11.351 -6.335 517 HG SER 69 HG SER 69 -15.940 -12.491 -4.614 518 H GLU 70 H GLU 70 -15.090 -8.704 -7.766 519 HA GLU 70 HA GLU 70 -16.456 -6.208 -7.774 520 HB2 GLU 70 HB2 GLU 70 -15.675 -7.983 -10.110 521 HB3 GLU 70 HB3 GLU 70 -16.181 -6.289 -10.222 522 HG2 GLU 70 HG2 GLU 70 -14.272 -5.558 -8.887 523 HG3 GLU 70 HG3 GLU 70 -13.735 -7.239 -8.677 524 H GLU 71 H GLU 71 -17.583 -9.457 -8.455 525 HA GLU 71 HA GLU 71 -19.972 -8.948 -9.847 526 HB2 GLU 71 HB2 GLU 71 -19.064 -11.172 -7.961 527 HB3 GLU 71 HB3 GLU 71 -20.474 -11.271 -9.043 528 HG2 GLU 71 HG2 GLU 71 -19.079 -11.024 -11.002 529 HG3 GLU 71 HG3 GLU 71 -17.678 -10.598 -10.078 530 H GLU 72 H GLU 72 -19.233 -9.345 -6.355 531 HA GLU 72 HA GLU 72 -21.833 -8.884 -5.338 532 HB2 GLU 72 HB2 GLU 72 -19.147 -8.232 -4.068 533 HB3 GLU 72 HB3 GLU 72 -20.659 -8.400 -3.204 534 HG2 GLU 72 HG2 GLU 72 -19.428 -10.665 -4.850 535 HG3 GLU 72 HG3 GLU 72 -19.020 -10.381 -3.178 536 H LEU 73 H LEU 73 -19.308 -6.675 -6.407 537 HA LEU 73 HA LEU 73 -20.564 -4.248 -5.351 538 HB2 LEU 73 HB2 LEU 73 -18.431 -4.543 -7.506 539 HB3 LEU 73 HB3 LEU 73 -18.895 -3.058 -6.709 540 HG LEU 73 HG LEU 73 -17.494 -5.410 -5.405 541 HD11 LEU 73 HD11 LEU 73 -16.510 -2.598 -6.045 542 HD12 LEU 73 HD12 LEU 73 -16.092 -4.058 -6.959 543 HD13 LEU 73 HD13 LEU 73 -15.580 -3.911 -5.280 544 HD21 LEU 73 HD21 LEU 73 -17.247 -3.895 -3.467 545 HD22 LEU 73 HD22 LEU 73 -18.931 -4.344 -3.763 546 HD23 LEU 73 HD23 LEU 73 -18.341 -2.734 -4.260 547 H LYS 74 H LYS 74 -21.043 -6.245 -8.196 548 HA LYS 74 HA LYS 74 -22.552 -4.043 -9.514 549 HB2 LYS 74 HB2 LYS 74 -22.081 -4.840 -11.549 550 HB3 LYS 74 HB3 LYS 74 -20.636 -5.328 -10.692 551 HG2 LYS 74 HG2 LYS 74 -22.005 -7.613 -10.386 552 HG3 LYS 74 HG3 LYS 74 -22.898 -7.003 -11.776 553 HD2 LYS 74 HD2 LYS 74 -19.887 -7.456 -11.599 554 HD3 LYS 74 HD3 LYS 74 -21.051 -8.520 -12.403 555 HE2 LYS 74 HE2 LYS 74 -21.611 -6.737 -14.013 556 HE3 LYS 74 HE3 LYS 74 -20.485 -5.628 -13.205 557 HZ1 LYS 74 HZ1 LYS 74 -19.814 -8.149 -14.568 558 HZ2 LYS 74 HZ2 LYS 74 -18.700 -7.169 -13.805 559 HZ3 LYS 74 HZ3 LYS 74 -19.516 -6.664 -15.157 560 H GLU 75 H GLU 75 -23.006 -6.790 -7.607 561 HA GLU 75 HA GLU 75 -25.454 -7.886 -8.451 562 HB2 GLU 75 HB2 GLU 75 -23.942 -7.664 -5.893 563 HB3 GLU 75 HB3 GLU 75 -25.553 -8.210 -5.742 564 HG2 GLU 75 HG2 GLU 75 -23.504 -9.521 -7.568 565 HG3 GLU 75 HG3 GLU 75 -23.880 -10.028 -5.934 566 HA PRO 76 HA PRO 76 -28.447 -4.838 -7.292 567 HB2 PRO 76 HB2 PRO 76 -30.597 -6.264 -6.355 568 HB3 PRO 76 HB3 PRO 76 -30.041 -6.272 -8.046 569 HG2 PRO 76 HG2 PRO 76 -29.581 -8.337 -5.917 570 HG3 PRO 76 HG3 PRO 76 -29.914 -8.575 -7.661 571 HD2 PRO 76 HD2 PRO 76 -27.434 -8.626 -6.407 572 HD3 PRO 76 HD3 PRO 76 -27.600 -8.386 -8.146 573 H TYR 77 H TYR 77 -30.219 -4.488 -5.282 574 HA TYR 77 HA TYR 77 -28.716 -4.511 -2.730 575 HB2 TYR 77 HB2 TYR 77 -28.297 -2.339 -3.648 576 HB3 TYR 77 HB3 TYR 77 -29.954 -2.186 -4.226 577 HD1 TYR 77 HD1 TYR 77 -27.886 -2.277 -1.109 578 HD2 TYR 77 HD2 TYR 77 -31.642 -1.164 -2.921 579 HE1 TYR 77 HE1 TYR 77 -28.417 -0.870 0.853 580 HE2 TYR 77 HE2 TYR 77 -32.194 0.209 -0.927 581 HH TYR 77 HH TYR 77 -29.787 1.081 1.357 582 H ILE 78 H ILE 78 -30.113 -4.314 -0.965 583 HA ILE 78 HA ILE 78 -32.997 -4.759 -1.399 584 HB ILE 78 HB ILE 78 -32.965 -6.545 0.331 585 HG12 ILE 78 HG12 ILE 78 -29.941 -6.646 -0.081 586 HG13 ILE 78 HG13 ILE 78 -30.744 -6.029 1.366 587 HG21 ILE 78 HG21 ILE 78 -32.412 -8.328 -1.203 588 HG22 ILE 78 HG22 ILE 78 -33.052 -6.977 -2.147 589 HG23 ILE 78 HG23 ILE 78 -31.305 -7.287 -2.109 590 HD11 ILE 78 HD11 ILE 78 -30.836 -8.898 0.369 591 HD12 ILE 78 HD12 ILE 78 -29.990 -8.271 1.787 592 HD13 ILE 78 HD13 ILE 78 -31.763 -8.266 1.753 593 H SER 79 H SER 79 -34.249 -3.936 0.222 594 HA SER 79 HA SER 79 -32.861 -2.428 2.399 595 HB2 SER 79 HB2 SER 79 -33.719 -1.050 0.451 596 HB3 SER 79 HB3 SER 79 -35.347 -1.617 0.920 597 HG SER 79 HG SER 79 -34.722 -0.729 3.072 598 H ASN 80 H ASN 80 -35.034 -4.932 1.667 599 HA ASN 80 HA ASN 80 -37.093 -4.490 3.594 600 HB2 ASN 80 HB2 ASN 80 -35.963 -7.104 2.466 601 HB3 ASN 80 HB3 ASN 80 -37.479 -6.945 3.349 602 HD21 ASN 80 HD21 ASN 80 -39.346 -6.563 2.097 603 HD22 ASN 80 HD22 ASN 80 -39.258 -6.019 0.425 604 H ASN 81 H ASN 81 -33.848 -5.094 3.917 605 HA ASN 81 HA ASN 81 -33.852 -5.194 6.748 606 HB2 ASN 81 HB2 ASN 81 -34.301 -7.562 6.652 607 HB3 ASN 81 HB3 ASN 81 -32.983 -7.793 5.469 608 HD21 ASN 81 HD21 ASN 81 -31.554 -9.065 6.831 609 HD22 ASN 81 HD22 ASN 81 -30.867 -8.379 8.285 610 HA PRO 82 HA PRO 82 -30.148 -3.511 4.581 611 HB2 PRO 82 HB2 PRO 82 -29.552 -1.557 6.424 612 HB3 PRO 82 HB3 PRO 82 -30.804 -1.366 5.151 613 HG2 PRO 82 HG2 PRO 82 -31.144 -2.134 8.063 614 HG3 PRO 82 HG3 PRO 82 -32.092 -0.945 7.116 615 HD2 PRO 82 HD2 PRO 82 -32.935 -3.504 7.566 616 HD3 PRO 82 HD3 PRO 82 -33.317 -2.666 6.031 617 H ASP 83 H ASP 83 -30.558 -5.235 7.537 618 HA ASP 83 HA ASP 83 -27.787 -4.951 8.417 619 HB2 ASP 83 HB2 ASP 83 -29.912 -5.201 9.817 620 HB3 ASP 83 HB3 ASP 83 -29.777 -6.939 9.480 621 H GLU 84 H GLU 84 -29.466 -6.924 6.229 622 HA GLU 84 HA GLU 84 -27.951 -9.398 6.403 623 HB2 GLU 84 HB2 GLU 84 -29.899 -8.099 4.536 624 HB3 GLU 84 HB3 GLU 84 -28.781 -9.199 3.761 625 HG2 GLU 84 HG2 GLU 84 -30.257 -10.096 6.241 626 HG3 GLU 84 HG3 GLU 84 -31.071 -10.081 4.675 627 H ILE 85 H ILE 85 -27.769 -6.502 4.398 628 HA ILE 85 HA ILE 85 -25.461 -7.328 2.918 629 HB ILE 85 HB ILE 85 -25.491 -5.066 1.975 630 HG12 ILE 85 HG12 ILE 85 -27.850 -4.529 3.836 631 HG13 ILE 85 HG13 ILE 85 -26.253 -3.783 3.985 632 HG21 ILE 85 HG21 ILE 85 -27.598 -5.396 0.789 633 HG22 ILE 85 HG22 ILE 85 -26.951 -6.979 1.204 634 HG23 ILE 85 HG23 ILE 85 -28.286 -6.310 2.156 635 HD11 ILE 85 HD11 ILE 85 -27.708 -2.208 2.933 636 HD12 ILE 85 HD12 ILE 85 -26.572 -2.789 1.695 637 HD13 ILE 85 HD13 ILE 85 -28.247 -3.388 1.731 638 H ARG 86 H ARG 86 -23.445 -7.211 3.317 639 HA ARG 86 HA ARG 86 -22.404 -6.589 5.889 640 HB2 ARG 86 HB2 ARG 86 -21.744 -8.270 3.898 641 HB3 ARG 86 HB3 ARG 86 -20.748 -6.928 3.366 642 HG2 ARG 86 HG2 ARG 86 -19.364 -8.345 4.574 643 HG3 ARG 86 HG3 ARG 86 -19.666 -6.985 5.678 644 HD2 ARG 86 HD2 ARG 86 -21.241 -8.299 6.949 645 HD3 ARG 86 HD3 ARG 86 -21.177 -9.624 5.762 646 HE ARG 86 HE ARG 86 -18.564 -9.375 6.389 647 HH11 ARG 86 HH11 ARG 86 -21.296 -9.374 8.634 648 HH12 ARG 86 HH12 ARG 86 -20.341 -9.917 9.971 649 HH21 ARG 86 HH21 ARG 86 -17.484 -10.526 7.943 650 HH22 ARG 86 HH22 ARG 86 -18.220 -10.912 9.480 651 H GLU 87 H GLU 87 -20.379 -5.117 6.242 652 HA GLU 87 HA GLU 87 -21.037 -2.463 5.301 653 HB2 GLU 87 HB2 GLU 87 -19.354 -1.576 6.628 654 HB3 GLU 87 HB3 GLU 87 -20.137 -2.837 7.577 655 HG2 GLU 87 HG2 GLU 87 -18.285 -4.307 6.952 656 HG3 GLU 87 HG3 GLU 87 -17.483 -3.017 6.067 657 H LYS 88 H LYS 88 -19.384 -1.038 4.181 658 HA LYS 88 HA LYS 88 -17.515 -2.592 2.478 659 HB2 LYS 88 HB2 LYS 88 -19.760 -2.441 1.392 660 HB3 LYS 88 HB3 LYS 88 -19.580 -0.683 1.307 661 HG2 LYS 88 HG2 LYS 88 -17.834 -0.827 -0.271 662 HG3 LYS 88 HG3 LYS 88 -17.375 -2.461 0.248 663 HD2 LYS 88 HD2 LYS 88 -18.353 -2.607 -1.898 664 HD3 LYS 88 HD3 LYS 88 -19.424 -3.388 -0.723 665 HE2 LYS 88 HE2 LYS 88 -20.720 -1.191 -0.668 666 HE3 LYS 88 HE3 LYS 88 -19.789 -0.702 -2.088 667 HZ1 LYS 88 HZ1 LYS 88 -20.699 -2.789 -3.134 668 HZ2 LYS 88 HZ2 LYS 88 -21.786 -1.603 -2.833 669 HZ3 LYS 88 HZ3 LYS 88 -21.747 -2.925 -1.876 670 H LYS 89 H LYS 89 -15.756 -1.749 3.359 671 HA LYS 89 HA LYS 89 -15.385 1.107 3.851 672 HB2 LYS 89 HB2 LYS 89 -13.391 -1.181 4.082 673 HB3 LYS 89 HB3 LYS 89 -13.259 0.423 4.794 674 HG2 LYS 89 HG2 LYS 89 -15.154 -0.115 6.316 675 HG3 LYS 89 HG3 LYS 89 -15.320 -1.706 5.553 676 HD2 LYS 89 HD2 LYS 89 -12.805 -2.065 6.150 677 HD3 LYS 89 HD3 LYS 89 -12.991 -0.653 7.202 678 HE2 LYS 89 HE2 LYS 89 -14.953 -1.826 8.259 679 HE3 LYS 89 HE3 LYS 89 -14.618 -3.228 7.228 680 HZ1 LYS 89 HZ1 LYS 89 -13.726 -3.394 9.487 681 HZ2 LYS 89 HZ2 LYS 89 -12.751 -2.109 9.245 682 HZ3 LYS 89 HZ3 LYS 89 -12.522 -3.492 8.370 683 HA PRO 90 HA PRO 90 -13.634 1.158 -0.409 684 HB2 PRO 90 HB2 PRO 90 -13.608 3.874 -0.774 685 HB3 PRO 90 HB3 PRO 90 -15.121 2.930 -0.883 686 HG2 PRO 90 HG2 PRO 90 -14.093 4.497 1.463 687 HG3 PRO 90 HG3 PRO 90 -15.756 4.468 0.785 688 HD2 PRO 90 HD2 PRO 90 -15.068 2.974 2.954 689 HD3 PRO 90 HD3 PRO 90 -16.249 2.440 1.725 690 H LEU 91 H LEU 91 -11.529 1.540 -1.085 691 HA LEU 91 HA LEU 91 -9.571 2.864 0.740 692 HB2 LEU 91 HB2 LEU 91 -9.173 0.300 -0.862 693 HB3 LEU 91 HB3 LEU 91 -8.023 1.046 0.241 694 HG LEU 91 HG LEU 91 -10.698 -0.167 1.091 695 HD11 LEU 91 HD11 LEU 91 -9.283 -1.886 0.155 696 HD12 LEU 91 HD12 LEU 91 -9.363 -2.061 1.915 697 HD13 LEU 91 HD13 LEU 91 -7.912 -1.358 1.167 698 HD21 LEU 91 HD21 LEU 91 -9.786 1.511 2.714 699 HD22 LEU 91 HD22 LEU 91 -8.275 0.567 2.795 700 HD23 LEU 91 HD23 LEU 91 -9.803 -0.131 3.351 701 H ARG 92 H ARG 92 -9.290 4.743 -0.514 702 HA ARG 92 HA ARG 92 -9.020 4.486 -3.481 703 HB2 ARG 92 HB2 ARG 92 -9.797 6.739 -1.594 704 HB3 ARG 92 HB3 ARG 92 -9.362 7.026 -3.281 705 HG2 ARG 92 HG2 ARG 92 -11.238 5.787 -4.092 706 HG3 ARG 92 HG3 ARG 92 -11.647 5.180 -2.466 707 HD2 ARG 92 HD2 ARG 92 -12.288 7.340 -1.696 708 HD3 ARG 92 HD3 ARG 92 -11.516 8.137 -3.078 709 HE ARG 92 HE ARG 92 -13.541 6.410 -4.055 710 HH11 ARG 92 HH11 ARG 92 -13.329 9.516 -2.190 711 HH12 ARG 92 HH12 ARG 92 -14.858 10.021 -2.786 712 HH21 ARG 92 HH21 ARG 92 -15.324 7.356 -5.008 713 HH22 ARG 92 HH22 ARG 92 -16.024 8.815 -4.367 714 H TYR 93 H TYR 93 -6.851 4.327 -3.993 715 HA TYR 93 HA TYR 93 -4.903 5.656 -2.190 716 HB2 TYR 93 HB2 TYR 93 -4.546 3.645 -4.390 717 HB3 TYR 93 HB3 TYR 93 -3.248 4.392 -3.442 718 HD1 TYR 93 HD2 TYR 93 -6.198 2.157 -3.250 719 HD2 TYR 93 HD1 TYR 93 -2.662 3.555 -1.233 720 HE1 TYR 93 HE2 TYR 93 -6.468 0.365 -1.569 721 HE2 TYR 93 HE1 TYR 93 -2.945 1.795 0.477 722 HH TYR 93 HH TYR 93 -4.088 -0.232 1.043 723 H GLY 94 H GLY 94 -3.405 7.137 -2.809 724 HA2 GLY 94 HA2 GLY 94 -3.939 9.020 -4.772 725 HA3 GLY 94 HA3 GLY 94 -3.108 8.918 -3.238 726 H LYS 95 H LYS 95 -1.971 10.276 -5.411 727 HA LYS 95 HA LYS 95 -0.180 8.611 -6.902 728 HB2 LYS 95 HB2 LYS 95 -1.078 10.710 -7.658 729 HB3 LYS 95 HB3 LYS 95 -0.375 11.574 -6.287 730 HG2 LYS 95 HG2 LYS 95 1.808 11.433 -7.159 731 HG3 LYS 95 HG3 LYS 95 1.394 10.083 -8.222 732 HD2 LYS 95 HD2 LYS 95 1.660 12.353 -9.382 733 HD3 LYS 95 HD3 LYS 95 0.279 11.336 -9.761 734 HE2 LYS 95 HE2 LYS 95 -0.398 13.639 -9.696 735 HE3 LYS 95 HE3 LYS 95 -1.230 12.694 -8.475 736 HZ1 LYS 95 HZ1 LYS 95 0.092 13.708 -6.780 737 HZ2 LYS 95 HZ2 LYS 95 -0.522 14.856 -7.756 738 HZ3 LYS 95 HZ3 LYS 95 1.053 14.479 -7.900 739 H VAL 96 H VAL 96 2.333 8.938 -6.626 740 HA VAL 96 HA VAL 96 3.033 8.928 -3.753 741 HB VAL 96 HB VAL 96 4.275 7.393 -6.078 742 HG11 VAL 96 HG11 VAL 96 5.939 7.863 -4.286 743 HG12 VAL 96 HG12 VAL 96 4.808 7.196 -3.099 744 HG13 VAL 96 HG13 VAL 96 5.517 6.150 -4.350 745 HG21 VAL 96 HG21 VAL 96 2.022 6.520 -5.364 746 HG22 VAL 96 HG22 VAL 96 3.347 5.389 -5.038 747 HG23 VAL 96 HG23 VAL 96 2.676 6.347 -3.706 748 H TYR 97 H TYR 97 4.940 9.890 -3.126 749 HA TYR 97 HA TYR 97 6.392 11.605 -5.043 750 HB2 TYR 97 HB2 TYR 97 5.643 12.510 -2.248 751 HB3 TYR 97 HB3 TYR 97 6.225 13.468 -3.571 752 HD1 TYR 97 HD2 TYR 97 3.279 11.733 -2.146 753 HD2 TYR 97 HD1 TYR 97 4.723 14.373 -5.211 754 HE1 TYR 97 HE2 TYR 97 0.944 12.211 -2.756 755 HE2 TYR 97 HE1 TYR 97 2.386 14.895 -5.874 756 HH TYR 97 HH TYR 97 -0.450 13.318 -4.248 757 H SER 98 H SER 98 8.380 12.512 -3.806 758 HA SER 98 HA SER 98 9.657 10.285 -2.279 759 HB2 SER 98 HB2 SER 98 10.687 10.751 -4.395 760 HB3 SER 98 HB3 SER 98 10.784 12.493 -4.056 761 HG SER 98 HG SER 98 12.501 12.169 -2.945 762 H THR 99 H THR 99 10.906 10.861 -0.425 763 HA THR 99 HA THR 99 9.779 13.062 1.099 764 HB THR 99 HB THR 99 11.511 12.256 2.786 765 HG1 THR 99 HG1 THR 99 12.423 10.322 2.446 766 HG21 THR 99 HG21 THR 99 10.230 10.252 3.376 767 HG22 THR 99 HG22 THR 99 9.512 10.201 1.754 768 HG23 THR 99 HG23 THR 99 9.157 11.553 2.861 769 H ASN 100 H ASN 100 10.966 14.903 1.833 770 HA ASN 100 HA ASN 100 12.702 15.838 -0.280 771 HB2 ASN 100 HB2 ASN 100 10.999 17.299 0.769 772 HB3 ASN 100 HB3 ASN 100 12.051 17.417 2.190 773 HD21 ASN 100 HD21 ASN 100 11.667 19.802 1.244 774 HD22 ASN 100 HD22 ASN 100 12.884 20.348 0.095 775 H GLU 101 H GLU 101 14.093 13.809 0.561 776 HA GLU 101 HA GLU 101 16.142 14.549 2.565 777 HB2 GLU 101 HB2 GLU 101 16.022 12.229 0.563 778 HB3 GLU 101 HB3 GLU 101 17.230 12.412 1.798 779 HG2 GLU 101 HG2 GLU 101 14.265 11.977 2.280 780 HG3 GLU 101 HG3 GLU 101 15.512 10.740 2.404 781 H ASP 102 H ASP 102 15.661 14.468 -0.827 782 HA ASP 102 HA ASP 102 16.761 14.881 -2.691 783 HB2 ASP 102 HB2 ASP 102 16.351 17.207 -1.388 784 HB3 ASP 102 HB3 ASP 102 18.063 17.347 -1.751 785 H SER 103 H SER 103 18.169 13.055 -1.149 786 HA SER 103 HA SER 103 20.928 13.336 -2.216 787 HB2 SER 103 HB2 SER 103 19.980 12.193 0.434 788 HB3 SER 103 HB3 SER 103 21.578 11.885 -0.269 789 HG SER 103 HG SER 103 21.998 14.061 -0.280 790 H ASP 104 H ASP 104 18.184 11.876 -2.826 791 HA ASP 104 HA ASP 104 17.480 10.172 -4.059 792 HB2 ASP 104 HB2 ASP 104 19.600 10.777 -5.379 793 HB3 ASP 104 HB3 ASP 104 20.306 9.364 -4.602 794 H ALA 105 H ALA 105 18.534 9.712 -1.192 795 HA ALA 105 HA ALA 105 19.311 7.164 -0.598 796 HB1 ALA 105 HB1 ALA 105 16.991 8.671 0.718 797 HB2 ALA 105 HB2 ALA 105 17.923 7.345 1.452 798 HB3 ALA 105 HB3 ALA 105 18.714 8.891 1.089 799 H LYS 106 H LYS 106 15.975 8.123 -1.350 800 HA LYS 106 HA LYS 106 14.158 7.014 -2.157 801 HB2 LYS 106 HB2 LYS 106 16.028 6.544 -3.907 802 HB3 LYS 106 HB3 LYS 106 15.909 4.887 -3.327 803 HG2 LYS 106 HG2 LYS 106 14.451 4.861 -5.107 804 HG3 LYS 106 HG3 LYS 106 13.328 5.198 -3.802 805 HD2 LYS 106 HD2 LYS 106 12.617 6.786 -5.248 806 HD3 LYS 106 HD3 LYS 106 13.865 7.757 -4.465 807 HE2 LYS 106 HE2 LYS 106 14.064 6.219 -7.098 808 HE3 LYS 106 HE3 LYS 106 13.891 7.964 -6.939 809 HZ1 LYS 106 HZ1 LYS 106 16.142 8.108 -6.134 810 HZ2 LYS 106 HZ2 LYS 106 16.116 7.248 -7.464 811 HZ3 LYS 106 HZ3 LYS 106 16.302 6.458 -6.050 812 H ASP 107 H ASP 107 15.473 6.054 0.562 813 HA ASP 107 HA ASP 107 14.360 3.306 0.579 814 HB2 ASP 107 HB2 ASP 107 15.351 4.810 2.987 815 HB3 ASP 107 HB3 ASP 107 15.096 3.061 2.728 816 H GLU 108 H GLU 108 13.355 6.594 1.192 817 HA GLU 108 HA GLU 108 10.801 5.634 2.375 818 HB2 GLU 108 HB2 GLU 108 12.752 7.715 3.275 819 HB3 GLU 108 HB3 GLU 108 10.995 8.021 3.498 820 HG2 GLU 108 HG2 GLU 108 10.739 6.024 4.797 821 HG3 GLU 108 HG3 GLU 108 12.467 5.617 4.583 822 H ILE 109 H ILE 109 9.095 6.586 1.566 823 HA ILE 109 HA ILE 109 9.308 8.868 -0.320 824 HB ILE 109 HB ILE 109 8.009 7.638 -2.036 825 HG12 ILE 109 HG12 ILE 109 8.049 5.124 -1.911 826 HG13 ILE 109 HG13 ILE 109 8.298 5.265 -0.160 827 HG21 ILE 109 HG21 ILE 109 10.415 7.771 -2.282 828 HG22 ILE 109 HG22 ILE 109 10.610 6.232 -1.402 829 HG23 ILE 109 HG23 ILE 109 9.772 6.267 -2.946 830 HD11 ILE 109 HD11 ILE 109 6.126 6.035 0.178 831 HD12 ILE 109 HD12 ILE 109 6.058 6.859 -1.388 832 HD13 ILE 109 HD13 ILE 109 5.851 5.140 -1.333 833 H ILE 110 H ILE 110 6.726 9.287 -1.062 834 HA ILE 110 HA ILE 110 5.149 9.128 1.433 835 HB ILE 110 HB ILE 110 5.175 11.472 -0.463 836 HG12 ILE 110 HG12 ILE 110 6.974 10.935 1.933 837 HG13 ILE 110 HG13 ILE 110 7.459 11.363 0.276 838 HG21 ILE 110 HG21 ILE 110 3.257 11.141 1.167 839 HG22 ILE 110 HG22 ILE 110 4.434 11.368 2.466 840 HG23 ILE 110 HG23 ILE 110 4.094 12.677 1.306 841 HD11 ILE 110 HD11 ILE 110 6.266 13.114 2.373 842 HD12 ILE 110 HD12 ILE 110 7.798 13.268 1.531 843 HD13 ILE 110 HD13 ILE 110 6.292 13.552 0.628 844 H VAL 111 H VAL 111 3.332 8.049 1.134 845 HA VAL 111 HA VAL 111 2.180 7.559 -1.554 846 HB VAL 111 HB VAL 111 2.307 6.108 1.044 847 HG11 VAL 111 HG11 VAL 111 0.112 5.345 -0.887 848 HG12 VAL 111 HG12 VAL 111 0.640 4.463 0.555 849 HG13 VAL 111 HG13 VAL 111 -0.126 6.018 0.725 850 HG21 VAL 111 HG21 VAL 111 3.272 4.449 -0.113 851 HG22 VAL 111 HG22 VAL 111 2.475 4.940 -1.662 852 HG23 VAL 111 HG23 VAL 111 3.816 5.874 -0.994 853 H GLU 112 H GLU 112 0.176 8.477 -1.993 854 HA GLU 112 HA GLU 112 -1.139 9.991 0.190 855 HB2 GLU 112 HB2 GLU 112 -0.810 11.073 -1.893 856 HB3 GLU 112 HB3 GLU 112 -1.464 9.816 -2.763 857 HG2 GLU 112 HG2 GLU 112 -3.736 10.349 -1.626 858 HG3 GLU 112 HG3 GLU 112 -2.976 11.744 -0.919 859 H PHE 113 H PHE 113 -3.180 9.288 1.036 860 HA PHE 113 HA PHE 113 -4.648 7.121 -0.268 861 HB2 PHE 113 HB2 PHE 113 -2.986 5.967 1.221 862 HB3 PHE 113 HB3 PHE 113 -3.615 6.878 2.594 863 HD1 PHE 113 HD2 PHE 113 -5.007 4.854 -0.268 864 HD2 PHE 113 HD1 PHE 113 -5.062 5.610 3.965 865 HE1 PHE 113 HE2 PHE 113 -6.761 3.192 -0.040 866 HE2 PHE 113 HE1 PHE 113 -6.837 3.918 4.221 867 HZ PHE 113 HZ PHE 113 -7.755 2.732 2.244 868 H ASN 114 H ASN 114 -6.884 7.233 0.353 869 HA ASN 114 HA ASN 114 -8.764 8.454 0.771 870 HB2 ASN 114 HB2 ASN 114 -7.454 8.674 3.506 871 HB3 ASN 114 HB3 ASN 114 -9.132 9.056 3.183 872 HD21 ASN 114 HD21 ASN 114 -9.997 6.860 1.554 873 HD22 ASN 114 HD22 ASN 114 -9.790 5.418 2.542 874 H ARG 115 H ARG 115 -6.619 10.042 -0.403 875 HA ARG 115 HA ARG 115 -6.254 12.132 -1.133 876 HB2 ARG 115 HB2 ARG 115 -8.449 13.325 0.539 877 HB3 ARG 115 HB3 ARG 115 -7.830 13.848 -1.002 878 HG2 ARG 115 HG2 ARG 115 -9.663 11.485 -0.467 879 HG3 ARG 115 HG3 ARG 115 -10.051 12.996 -1.275 880 HD2 ARG 115 HD2 ARG 115 -8.080 12.216 -2.915 881 HD3 ARG 115 HD3 ARG 115 -8.513 10.625 -2.297 882 HE ARG 115 HE ARG 115 -10.470 10.696 -3.519 883 HH11 ARG 115 HH11 ARG 115 -9.223 14.027 -3.262 884 HH12 ARG 115 HH12 ARG 115 -10.265 14.671 -4.453 885 HH21 ARG 115 HH21 ARG 115 -11.907 11.531 -5.010 886 HH22 ARG 115 HH22 ARG 115 -11.988 13.229 -5.386 887 H GLU 116 H GLU 116 -5.086 11.123 1.520 888 HA GLU 116 HA GLU 116 -4.138 13.694 2.611 889 HB2 GLU 116 HB2 GLU 116 -4.748 11.048 3.985 890 HB3 GLU 116 HB3 GLU 116 -3.861 12.386 4.738 891 HG2 GLU 116 HG2 GLU 116 -5.839 13.798 4.633 892 HG3 GLU 116 HG3 GLU 116 -6.733 12.593 3.704 893 H TYR 117 H TYR 117 -1.853 13.679 2.953 894 HA TYR 117 HA TYR 117 -0.436 11.593 1.374 895 HB2 TYR 117 HB2 TYR 117 0.496 14.298 2.382 896 HB3 TYR 117 HB3 TYR 117 1.487 13.128 1.519 897 HD1 TYR 117 HD1 TYR 117 -1.907 13.313 0.111 898 HD2 TYR 117 HD2 TYR 117 2.003 15.108 0.113 899 HE1 TYR 117 HE1 TYR 117 -2.475 14.469 -1.955 900 HE2 TYR 117 HE2 TYR 117 1.433 16.283 -2.018 901 HH TYR 117 HH TYR 117 -0.384 16.915 -3.481 902 H TYR 118 H TYR 118 0.802 10.044 2.328 903 HA TYR 118 HA TYR 118 1.481 10.348 5.242 904 HB2 TYR 118 HB2 TYR 118 0.693 7.842 3.753 905 HB3 TYR 118 HB3 TYR 118 1.249 7.922 5.418 906 HD1 TYR 118 HD1 TYR 118 -1.535 8.694 3.105 907 HD2 TYR 118 HD2 TYR 118 -0.231 8.731 7.218 908 HE1 TYR 118 HE1 TYR 118 -3.859 9.001 3.835 909 HE2 TYR 118 HE2 TYR 118 -2.575 9.086 7.954 910 HH TYR 118 HH TYR 118 -5.001 10.078 6.461 911 H ARG 119 H ARG 119 3.572 9.608 5.837 912 HA ARG 119 HA ARG 119 5.463 9.267 3.551 913 HB2 ARG 119 HB2 ARG 119 5.989 11.011 5.188 914 HB3 ARG 119 HB3 ARG 119 6.043 9.826 6.496 915 HG2 ARG 119 HG2 ARG 119 7.771 9.472 4.027 916 HG3 ARG 119 HG3 ARG 119 8.232 10.677 5.215 917 HD2 ARG 119 HD2 ARG 119 7.775 7.769 6.001 918 HD3 ARG 119 HD3 ARG 119 9.307 8.366 5.404 919 HE ARG 119 HE ARG 119 8.082 8.887 8.018 920 HH11 ARG 119 HH11 ARG 119 10.821 9.611 5.862 921 HH12 ARG 119 HH12 ARG 119 11.600 10.660 6.962 922 HH21 ARG 119 HH21 ARG 119 9.234 9.913 9.520 923 HH22 ARG 119 HH22 ARG 119 10.836 10.529 9.251 924 H ALA 120 H ALA 120 6.390 7.377 3.165 925 HA ALA 120 HA ALA 120 5.881 5.136 5.063 926 HB1 ALA 120 HB1 ALA 120 4.619 4.898 2.879 927 HB2 ALA 120 HB2 ALA 120 6.190 4.794 2.071 928 HB3 ALA 120 HB3 ALA 120 5.691 3.600 3.300 929 H VAL 121 H VAL 121 7.550 3.379 4.944 930 HA VAL 121 HA VAL 121 10.216 4.142 3.859 931 HB VAL 121 HB VAL 121 10.013 4.657 6.237 932 HG11 VAL 121 HG11 VAL 121 9.247 1.860 6.803 933 HG12 VAL 121 HG12 VAL 121 9.714 3.136 7.958 934 HG13 VAL 121 HG13 VAL 121 8.295 3.381 6.930 935 HG21 VAL 121 HG21 VAL 121 12.196 3.619 5.253 936 HG22 VAL 121 HG22 VAL 121 12.000 3.710 7.009 937 HG23 VAL 121 HG23 VAL 121 11.719 2.172 6.172 938 H LEU 122 H LEU 122 11.471 2.555 3.020 939 HA LEU 122 HA LEU 122 10.290 0.136 2.126 940 HB2 LEU 122 HB2 LEU 122 11.967 1.463 0.926 941 HB3 LEU 122 HB3 LEU 122 13.210 1.031 2.148 942 HG LEU 122 HG LEU 122 12.997 -1.288 1.430 943 HD11 LEU 122 HD11 LEU 122 11.281 -0.082 -0.765 944 HD12 LEU 122 HD12 LEU 122 10.682 -1.185 0.474 945 HD13 LEU 122 HD13 LEU 122 11.847 -1.769 -0.737 946 HD21 LEU 122 HD21 LEU 122 13.496 0.587 -0.937 947 HD22 LEU 122 HD22 LEU 122 14.195 -1.018 -0.712 948 HD23 LEU 122 HD23 LEU 122 14.673 0.323 0.352 949 H ILE 123 H ILE 123 10.114 -1.718 3.185 950 HA ILE 123 HA ILE 123 10.758 -1.846 6.005 951 HB ILE 123 HB ILE 123 9.265 -3.494 3.939 952 HG12 ILE 123 HG12 ILE 123 8.090 -2.302 6.444 953 HG13 ILE 123 HG13 ILE 123 8.507 -1.208 5.137 954 HG21 ILE 123 HG21 ILE 123 8.366 -4.916 5.684 955 HG22 ILE 123 HG22 ILE 123 10.103 -5.141 5.567 956 HG23 ILE 123 HG23 ILE 123 9.429 -4.156 6.886 957 HD11 ILE 123 HD11 ILE 123 6.126 -2.020 5.062 958 HD12 ILE 123 HD12 ILE 123 7.085 -2.260 3.596 959 HD13 ILE 123 HD13 ILE 123 6.753 -3.634 4.669 960 H LYS 124 H LYS 124 11.472 -3.810 3.265 961 HA LYS 124 HA LYS 124 13.070 -5.856 4.194 962 HB2 LYS 124 HB2 LYS 124 14.079 -5.401 1.762 963 HB3 LYS 124 HB3 LYS 124 12.612 -6.306 2.056 964 HG2 LYS 124 HG2 LYS 124 12.777 -3.312 1.535 965 HG3 LYS 124 HG3 LYS 124 12.773 -4.436 0.212 966 HD2 LYS 124 HD2 LYS 124 10.491 -4.705 2.223 967 HD3 LYS 124 HD3 LYS 124 10.512 -3.311 1.121 968 HE2 LYS 124 HE2 LYS 124 9.405 -4.938 -0.016 969 HE3 LYS 124 HE3 LYS 124 11.055 -4.849 -0.685 970 HZ1 LYS 124 HZ1 LYS 124 11.613 -6.879 0.580 971 HZ2 LYS 124 HZ2 LYS 124 10.288 -7.238 -0.269 972 HZ3 LYS 124 HZ3 LYS 124 10.125 -6.924 1.302 973 H ASN 125 H ASN 125 13.990 -2.697 2.962 974 HA ASN 125 HA ASN 125 16.803 -2.903 2.971 975 HB2 ASN 125 HB2 ASN 125 15.516 -1.226 1.772 976 HB3 ASN 125 HB3 ASN 125 14.917 -0.519 3.285 977 HD21 ASN 125 HD21 ASN 125 16.058 1.261 3.949 978 HD22 ASN 125 HD22 ASN 125 17.628 1.647 3.241 979 H GLU 126 H GLU 126 14.481 -1.603 5.465 980 HA GLU 126 HA GLU 126 16.662 -1.517 7.418 981 HB2 GLU 126 HB2 GLU 126 15.119 -0.580 8.928 982 HB3 GLU 126 HB3 GLU 126 15.024 0.277 7.389 983 HG2 GLU 126 HG2 GLU 126 12.913 -0.952 6.894 984 HG3 GLU 126 HG3 GLU 126 13.015 -1.723 8.482 985 H LYS 127 H LYS 127 15.385 -2.506 9.765 986 HA LYS 127 HA LYS 127 14.681 -5.311 9.071 987 HB2 LYS 127 HB2 LYS 127 16.823 -4.471 11.062 988 HB3 LYS 127 HB3 LYS 127 16.278 -6.110 10.772 989 HG2 LYS 127 HG2 LYS 127 17.677 -4.404 8.683 990 HG3 LYS 127 HG3 LYS 127 18.445 -5.616 9.703 991 HD2 LYS 127 HD2 LYS 127 17.293 -7.410 8.737 992 HD3 LYS 127 HD3 LYS 127 16.118 -6.394 7.935 993 HE2 LYS 127 HE2 LYS 127 19.066 -6.455 7.210 994 HE3 LYS 127 HE3 LYS 127 17.806 -7.430 6.447 995 HZ1 LYS 127 HZ1 LYS 127 16.718 -5.365 5.740 996 HZ2 LYS 127 HZ2 LYS 127 18.219 -5.540 5.127 997 HZ3 LYS 127 HZ3 LYS 127 17.961 -4.483 6.344 998 H GLU 128 H GLU 128 13.261 -2.796 10.100 999 HA GLU 128 HA GLU 128 12.369 -3.649 12.766 1000 HB2 GLU 128 HB2 GLU 128 11.461 -1.335 10.999 1001 HB3 GLU 128 HB3 GLU 128 11.004 -1.633 12.677 1002 HG2 GLU 128 HG2 GLU 128 13.540 -1.509 13.202 1003 HG3 GLU 128 HG3 GLU 128 13.697 -0.767 11.600 Start of MODEL 11 1 H1 GLY 1 H GLY 1 46.812 -13.762 -24.392 2 HA2 GLY 1 HA2 GLY 1 48.060 -13.628 -21.694 3 HA3 GLY 1 HA3 GLY 1 46.858 -12.465 -22.314 4 H SER 2 H SER 2 45.473 -13.088 -20.396 5 HA SER 2 HA SER 2 43.783 -15.384 -20.984 6 HB2 SER 2 HB2 SER 2 43.895 -15.760 -18.386 7 HB3 SER 2 HB3 SER 2 45.148 -16.458 -19.421 8 HG SER 2 HG SER 2 45.889 -15.302 -17.498 9 H THR 3 H THR 3 41.829 -15.110 -19.279 10 HA THR 3 HA THR 3 41.220 -12.281 -18.796 11 HB THR 3 HB THR 3 38.901 -12.829 -19.777 12 HG1 THR 3 HG1 THR 3 38.855 -14.933 -20.179 13 HG21 THR 3 HG21 THR 3 39.514 -12.294 -22.058 14 HG22 THR 3 HG22 THR 3 41.193 -12.801 -21.784 15 HG23 THR 3 HG23 THR 3 40.547 -11.371 -20.951 16 H MET 4 H MET 4 38.905 -12.374 -17.623 17 HA MET 4 HA MET 4 38.887 -14.547 -15.616 18 HB2 MET 4 HB2 MET 4 38.526 -11.555 -15.085 19 HB3 MET 4 HB3 MET 4 38.364 -12.859 -13.909 20 HG2 MET 4 HG2 MET 4 40.462 -12.037 -13.453 21 HG3 MET 4 HG3 MET 4 40.802 -13.462 -14.431 22 HE1 MET 4 HE1 MET 4 43.769 -11.086 -15.328 23 HE2 MET 4 HE2 MET 4 42.984 -11.303 -13.747 24 HE3 MET 4 HE3 MET 4 43.283 -12.712 -14.796 25 H HIS 5 H HIS 5 36.588 -13.903 -14.306 26 HA HIS 5 HA HIS 5 34.513 -13.705 -16.415 27 HB2 HIS 5 HB2 HIS 5 34.924 -16.055 -15.541 28 HB3 HIS 5 HB3 HIS 5 34.392 -15.489 -13.955 29 HD1 HIS 5 HD1 HIS 5 32.775 -14.998 -17.507 30 HD2 HIS 5 HD2 HIS 5 31.972 -16.404 -13.605 31 HE1 HIS 5 HE1 HIS 5 30.308 -15.627 -17.445 32 H PHE 6 H PHE 6 32.287 -13.464 -14.953 33 HA PHE 6 HA PHE 6 32.617 -11.220 -13.051 34 HB2 PHE 6 HB2 PHE 6 30.624 -10.199 -14.265 35 HB3 PHE 6 HB3 PHE 6 32.127 -10.180 -15.162 36 HD1 PHE 6 HD1 PHE 6 29.054 -12.433 -14.777 37 HD2 PHE 6 HD2 PHE 6 32.069 -10.801 -17.417 38 HE1 PHE 6 HE1 PHE 6 28.043 -13.623 -16.662 39 HE2 PHE 6 HE2 PHE 6 30.988 -11.953 -19.328 40 HZ PHE 6 HZ PHE 6 28.973 -13.369 -18.960 41 H THR 7 H THR 7 30.170 -10.872 -12.101 42 HA THR 7 HA THR 7 28.747 -13.404 -11.979 43 HB THR 7 HB THR 7 28.603 -13.447 -9.558 44 HG1 THR 7 HG1 THR 7 30.458 -11.325 -9.656 45 HG21 THR 7 HG21 THR 7 30.758 -14.339 -8.964 46 HG22 THR 7 HG22 THR 7 31.537 -13.537 -10.347 47 HG23 THR 7 HG23 THR 7 30.359 -14.836 -10.614 48 H ASP 8 H ASP 8 26.703 -13.123 -10.893 49 HA ASP 8 HA ASP 8 25.333 -10.616 -11.643 50 HB2 ASP 8 HB2 ASP 8 23.297 -12.113 -11.322 51 HB3 ASP 8 HB3 ASP 8 24.367 -12.588 -12.634 52 H ASP 9 H ASP 9 23.312 -10.348 -10.067 53 HA ASP 9 HA ASP 9 24.077 -10.582 -7.239 54 HB2 ASP 9 HB2 ASP 9 23.160 -8.252 -6.940 55 HB3 ASP 9 HB3 ASP 9 24.737 -8.386 -7.700 56 H ASN 10 H ASN 10 22.002 -10.057 -5.871 57 HA ASN 10 HA ASN 10 19.573 -11.121 -7.227 58 HB2 ASN 10 HB2 ASN 10 20.693 -11.915 -4.524 59 HB3 ASN 10 HB3 ASN 10 19.118 -12.408 -5.130 60 HD21 ASN 10 HD21 ASN 10 21.579 -13.923 -4.275 61 HD22 ASN 10 HD22 ASN 10 21.935 -14.980 -5.650 62 H GLU 11 H GLU 11 17.666 -10.247 -6.491 63 HA GLU 11 HA GLU 11 17.823 -7.986 -4.585 64 HB2 GLU 11 HB2 GLU 11 15.561 -8.813 -6.458 65 HB3 GLU 11 HB3 GLU 11 15.731 -7.289 -5.558 66 HG2 GLU 11 HG2 GLU 11 17.950 -6.983 -6.813 67 HG3 GLU 11 HG3 GLU 11 17.436 -8.284 -7.878 68 H ASN 12 H ASN 12 15.911 -7.726 -3.079 69 HA ASN 12 HA ASN 12 14.633 -10.268 -2.212 70 HB2 ASN 12 HB2 ASN 12 16.214 -8.414 -0.389 71 HB3 ASN 12 HB3 ASN 12 15.158 -9.702 0.171 72 HD21 ASN 12 HD21 ASN 12 15.632 -11.946 -0.994 73 HD22 ASN 12 HD22 ASN 12 17.326 -12.391 -1.017 74 H ASP 13 H ASP 13 13.485 -8.169 -3.715 75 HA ASP 13 HA ASP 13 12.093 -6.396 -1.873 76 HB2 ASP 13 HB2 ASP 13 11.660 -6.787 -4.839 77 HB3 ASP 13 HB3 ASP 13 11.053 -5.475 -3.807 78 H THR 14 H THR 14 9.650 -6.342 -1.861 79 HA THR 14 HA THR 14 8.683 -8.799 -0.864 80 HB THR 14 HB THR 14 7.946 -6.583 -0.182 81 HG1 THR 14 HG1 THR 14 6.240 -8.673 -0.851 82 HG21 THR 14 HG21 THR 14 6.136 -5.400 -1.473 83 HG22 THR 14 HG22 THR 14 6.326 -6.537 -2.779 84 HG23 THR 14 HG23 THR 14 7.656 -5.456 -2.357 85 H SER 15 H SER 15 8.426 -7.450 -4.024 86 HA SER 15 HA SER 15 7.402 -8.100 -5.962 87 HB2 SER 15 HB2 SER 15 7.900 -10.463 -6.556 88 HB3 SER 15 HB3 SER 15 9.265 -9.608 -5.845 89 HG SER 15 HG SER 15 9.179 -11.606 -4.877 90 H GLU 16 H GLU 16 5.470 -7.745 -3.841 91 HA GLU 16 HA GLU 16 3.351 -9.670 -4.659 92 HB2 GLU 16 HB2 GLU 16 2.454 -9.588 -2.582 93 HB3 GLU 16 HB3 GLU 16 4.210 -9.585 -2.301 94 HG2 GLU 16 HG2 GLU 16 4.148 -7.207 -1.725 95 HG3 GLU 16 HG3 GLU 16 2.398 -7.196 -1.958 96 H THR 17 H THR 17 1.119 -8.071 -3.693 97 HA THR 17 HA THR 17 1.263 -5.696 -5.409 98 HB THR 17 HB THR 17 0.483 -7.581 -6.819 99 HG1 THR 17 HG1 THR 17 -1.382 -6.247 -7.511 100 HG21 THR 17 HG21 THR 17 -1.772 -8.389 -6.680 101 HG22 THR 17 HG22 THR 17 -2.037 -7.511 -5.161 102 HG23 THR 17 HG23 THR 17 -0.874 -8.861 -5.224 103 H MET 18 H MET 18 -0.802 -4.272 -5.151 104 HA MET 18 HA MET 18 -1.071 -3.752 -2.416 105 HB2 MET 18 HB2 MET 18 -2.516 -2.882 -4.941 106 HB3 MET 18 HB3 MET 18 -3.043 -2.322 -3.358 107 HG2 MET 18 HG2 MET 18 -0.221 -1.987 -4.370 108 HG3 MET 18 HG3 MET 18 -1.457 -0.799 -4.597 109 HE1 MET 18 HE1 MET 18 -2.977 -1.159 -1.501 110 HE2 MET 18 HE2 MET 18 -1.915 -2.486 -0.998 111 HE3 MET 18 HE3 MET 18 -1.804 -0.935 -0.180 112 H GLU 19 H GLU 19 -3.234 -5.417 -4.758 113 HA GLU 19 HA GLU 19 -5.403 -5.826 -3.125 114 HB2 GLU 19 HB2 GLU 19 -4.284 -7.644 -5.278 115 HB3 GLU 19 HB3 GLU 19 -5.814 -7.911 -4.446 116 HG2 GLU 19 HG2 GLU 19 -6.545 -6.846 -6.304 117 HG3 GLU 19 HG3 GLU 19 -6.440 -5.518 -5.164 118 H SER 20 H SER 20 -2.388 -7.851 -3.271 119 HA SER 20 HA SER 20 -3.257 -9.895 -1.493 120 HB2 SER 20 HB2 SER 20 -0.551 -8.831 -2.383 121 HB3 SER 20 HB3 SER 20 -0.689 -10.103 -1.161 122 HG SER 20 HG SER 20 -1.303 -11.464 -2.546 123 H LEU 21 H LEU 21 -1.740 -6.699 -0.928 124 HA LEU 21 HA LEU 21 -1.245 -7.089 1.856 125 HB2 LEU 21 HB2 LEU 21 -1.984 -4.442 0.515 126 HB3 LEU 21 HB3 LEU 21 -1.229 -4.640 2.051 127 HG LEU 21 HG LEU 21 -0.109 -4.862 -0.723 128 HD11 LEU 21 HD11 LEU 21 1.586 -3.402 0.249 129 HD12 LEU 21 HD12 LEU 21 0.941 -3.650 1.879 130 HD13 LEU 21 HD13 LEU 21 -0.049 -2.821 0.673 131 HD21 LEU 21 HD21 LEU 21 0.645 -6.978 0.275 132 HD22 LEU 21 HD22 LEU 21 1.232 -6.102 1.704 133 HD23 LEU 21 HD23 LEU 21 1.961 -5.807 0.112 134 H ILE 22 H ILE 22 -3.958 -5.503 0.126 135 HA ILE 22 HA ILE 22 -5.535 -4.994 2.417 136 HB ILE 22 HB ILE 22 -6.523 -5.636 -0.397 137 HG12 ILE 22 HG12 ILE 22 -5.950 -2.855 0.726 138 HG13 ILE 22 HG13 ILE 22 -4.806 -3.711 -0.300 139 HG21 ILE 22 HG21 ILE 22 -7.722 -4.064 1.934 140 HG22 ILE 22 HG22 ILE 22 -8.456 -4.288 0.318 141 HG23 ILE 22 HG23 ILE 22 -8.257 -5.652 1.354 142 HD11 ILE 22 HD11 ILE 22 -6.580 -3.951 -2.057 143 HD12 ILE 22 HD12 ILE 22 -7.615 -2.886 -1.120 144 HD13 ILE 22 HD13 ILE 22 -6.079 -2.271 -1.730 145 H ASP 23 H ASP 23 -5.514 -7.769 0.208 146 HA ASP 23 HA ASP 23 -7.556 -9.347 1.264 147 HB2 ASP 23 HB2 ASP 23 -6.524 -9.668 -0.899 148 HB3 ASP 23 HB3 ASP 23 -5.013 -10.179 -0.130 149 H LYS 24 H LYS 24 -4.366 -8.777 2.691 150 HA LYS 24 HA LYS 24 -4.911 -11.005 4.638 151 HB2 LYS 24 HB2 LYS 24 -2.686 -11.347 4.767 152 HB3 LYS 24 HB3 LYS 24 -2.606 -10.487 3.252 153 HG2 LYS 24 HG2 LYS 24 -0.999 -9.362 4.400 154 HG3 LYS 24 HG3 LYS 24 -2.336 -8.343 4.809 155 HD2 LYS 24 HD2 LYS 24 -2.272 -10.422 6.804 156 HD3 LYS 24 HD3 LYS 24 -0.611 -9.956 6.549 157 HE2 LYS 24 HE2 LYS 24 -0.843 -8.062 7.725 158 HE3 LYS 24 HE3 LYS 24 -2.228 -7.566 6.753 159 HZ1 LYS 24 HZ1 LYS 24 -2.374 -9.250 9.167 160 HZ2 LYS 24 HZ2 LYS 24 -3.647 -8.902 8.186 161 HZ3 LYS 24 HZ3 LYS 24 -2.868 -7.704 9.016 162 H GLY 25 H GLY 25 -5.127 -7.612 4.287 163 HA2 GLY 25 HA2 GLY 25 -6.199 -6.253 5.899 164 HA3 GLY 25 HA3 GLY 25 -5.661 -7.299 7.196 165 H LYS 26 H LYS 26 -3.583 -6.014 4.540 166 HA LYS 26 HA LYS 26 -1.807 -4.730 6.598 167 HB2 LYS 26 HB2 LYS 26 -1.363 -5.845 3.838 168 HB3 LYS 26 HB3 LYS 26 -0.399 -4.456 4.327 169 HG2 LYS 26 HG2 LYS 26 0.260 -5.788 6.377 170 HG3 LYS 26 HG3 LYS 26 -0.461 -7.179 5.602 171 HD2 LYS 26 HD2 LYS 26 1.599 -5.650 4.038 172 HD3 LYS 26 HD3 LYS 26 2.119 -6.626 5.400 173 HE2 LYS 26 HE2 LYS 26 0.981 -8.614 4.430 174 HE3 LYS 26 HE3 LYS 26 0.588 -7.678 2.979 175 HZ1 LYS 26 HZ1 LYS 26 3.336 -8.198 3.973 176 HZ2 LYS 26 HZ2 LYS 26 2.944 -7.574 2.448 177 HZ3 LYS 26 HZ3 LYS 26 2.609 -9.067 2.846 178 H LEU 27 H LEU 27 -3.732 -3.240 6.841 179 HA LEU 27 HA LEU 27 -4.152 -1.252 4.698 180 HB2 LEU 27 HB2 LEU 27 -5.234 -1.342 7.564 181 HB3 LEU 27 HB3 LEU 27 -5.694 -0.192 6.315 182 HG LEU 27 HG LEU 27 -7.427 -1.707 6.460 183 HD11 LEU 27 HD11 LEU 27 -7.568 -2.640 4.199 184 HD12 LEU 27 HD12 LEU 27 -5.806 -2.531 4.010 185 HD13 LEU 27 HD13 LEU 27 -6.775 -1.045 4.146 186 HD21 LEU 27 HD21 LEU 27 -7.336 -4.018 6.553 187 HD22 LEU 27 HD22 LEU 27 -5.868 -3.582 7.434 188 HD23 LEU 27 HD23 LEU 27 -5.773 -4.084 5.728 189 H ASP 28 H ASP 28 -1.691 -1.591 6.744 190 HA ASP 28 HA ASP 28 -1.345 1.370 7.251 191 HB2 ASP 28 HB2 ASP 28 -1.439 -0.377 9.196 192 HB3 ASP 28 HB3 ASP 28 0.218 -0.763 8.708 193 H GLN 29 H GLN 29 -0.564 -0.712 4.888 194 HA GLN 29 HA GLN 29 1.952 0.636 4.328 195 HB2 GLN 29 HB2 GLN 29 3.277 -1.425 4.314 196 HB3 GLN 29 HB3 GLN 29 2.620 -1.070 5.860 197 HG2 GLN 29 HG2 GLN 29 0.796 -2.741 5.528 198 HG3 GLN 29 HG3 GLN 29 1.607 -3.238 4.038 199 HE21 GLN 29 HE21 GLN 29 4.225 -3.210 4.682 200 HE22 GLN 29 HE22 GLN 29 4.604 -4.177 6.120 201 H VAL 30 H VAL 30 2.692 0.054 2.147 202 HA VAL 30 HA VAL 30 0.593 -0.966 0.269 203 HB VAL 30 HB VAL 30 0.885 0.989 -1.160 204 HG11 VAL 30 HG11 VAL 30 -0.902 0.904 0.670 205 HG12 VAL 30 HG12 VAL 30 0.117 2.028 1.580 206 HG13 VAL 30 HG13 VAL 30 -0.527 2.481 -0.021 207 HG21 VAL 30 HG21 VAL 30 2.015 2.920 -0.571 208 HG22 VAL 30 HG22 VAL 30 2.443 2.337 1.064 209 HG23 VAL 30 HG23 VAL 30 3.184 1.634 -0.394 210 H VAL 31 H VAL 31 1.517 -1.014 -2.142 211 HA VAL 31 HA VAL 31 4.382 -1.564 -2.103 212 HB VAL 31 HB VAL 31 4.348 -3.309 -3.494 213 HG11 VAL 31 HG11 VAL 31 3.697 -4.183 -1.506 214 HG12 VAL 31 HG12 VAL 31 1.937 -4.021 -1.907 215 HG13 VAL 31 HG13 VAL 31 3.020 -5.120 -2.795 216 HG21 VAL 31 HG21 VAL 31 2.765 -4.334 -4.857 217 HG22 VAL 31 HG22 VAL 31 1.614 -2.996 -4.548 218 HG23 VAL 31 HG23 VAL 31 3.199 -2.730 -5.353 219 H TYR 32 H TYR 32 5.391 -1.070 -4.120 220 HA TYR 32 HA TYR 32 3.979 0.133 -6.326 221 HB2 TYR 32 HB2 TYR 32 3.764 2.149 -5.043 222 HB3 TYR 32 HB3 TYR 32 5.355 1.889 -4.351 223 HD1 TYR 32 HD1 TYR 32 4.346 1.885 -7.942 224 HD2 TYR 32 HD2 TYR 32 6.643 3.883 -4.904 225 HE1 TYR 32 HE1 TYR 32 5.597 3.032 -9.670 226 HE2 TYR 32 HE2 TYR 32 7.893 5.085 -6.611 227 HH TYR 32 HH TYR 32 8.478 4.917 -9.018 228 H ASP 33 H ASP 33 5.189 -0.450 -7.997 229 HA ASP 33 HA ASP 33 6.876 -1.209 -9.268 230 HB2 ASP 33 HB2 ASP 33 7.500 1.231 -8.640 231 HB3 ASP 33 HB3 ASP 33 8.790 0.527 -7.688 232 H ASP 34 H ASP 34 6.271 -2.946 -7.203 233 HA ASP 34 HA ASP 34 6.937 -5.056 -6.578 234 HB2 ASP 34 HB2 ASP 34 8.870 -4.568 -8.433 235 HB3 ASP 34 HB3 ASP 34 9.874 -4.709 -6.992 236 H GLN 35 H GLN 35 7.675 -2.219 -5.121 237 HA GLN 35 HA GLN 35 9.370 -3.310 -2.967 238 HB2 GLN 35 HB2 GLN 35 8.487 -0.461 -3.431 239 HB3 GLN 35 HB3 GLN 35 9.804 -1.029 -2.433 240 HG2 GLN 35 HG2 GLN 35 9.679 -0.913 -5.472 241 HG3 GLN 35 HG3 GLN 35 10.762 -0.078 -4.364 242 HE21 GLN 35 HE21 GLN 35 12.319 -1.381 -3.173 243 HE22 GLN 35 HE22 GLN 35 12.765 -3.033 -3.727 244 H LEU 36 H LEU 36 8.855 -2.589 -0.776 245 HA LEU 36 HA LEU 36 5.917 -2.439 -0.229 246 HB2 LEU 36 HB2 LEU 36 7.316 -4.636 0.199 247 HB3 LEU 36 HB3 LEU 36 7.944 -3.814 1.579 248 HG LEU 36 HG LEU 36 5.640 -3.627 2.531 249 HD11 LEU 36 HD11 LEU 36 4.801 -5.410 0.169 250 HD12 LEU 36 HD12 LEU 36 4.322 -3.714 0.368 251 HD13 LEU 36 HD13 LEU 36 3.797 -4.978 1.515 252 HD21 LEU 36 HD21 LEU 36 7.098 -5.584 3.009 253 HD22 LEU 36 HD22 LEU 36 6.458 -6.392 1.563 254 HD23 LEU 36 HD23 LEU 36 5.377 -6.068 2.922 255 H TYR 37 H TYR 37 5.377 -0.602 0.912 256 HA TYR 37 HA TYR 37 7.514 0.599 2.565 257 HB2 TYR 37 HB2 TYR 37 5.315 2.281 1.431 258 HB3 TYR 37 HB3 TYR 37 6.909 2.756 1.997 259 HD1 TYR 37 HD1 TYR 37 8.818 1.219 0.443 260 HD2 TYR 37 HD2 TYR 37 5.080 3.001 -0.731 261 HE1 TYR 37 HE1 TYR 37 9.617 1.332 -1.898 262 HE2 TYR 37 HE2 TYR 37 5.909 3.252 -2.984 263 HH TYR 37 HH TYR 37 7.863 1.399 -4.436 264 H HIS 38 H HIS 38 7.034 0.974 4.698 265 HA HIS 38 HA HIS 38 4.333 0.320 5.686 266 HB2 HIS 38 HB2 HIS 38 6.953 -0.112 6.655 267 HB3 HIS 38 HB3 HIS 38 6.277 1.064 7.748 268 HD1 HIS 38 HD1 HIS 38 6.791 -2.314 8.225 269 HD2 HIS 38 HD2 HIS 38 3.238 -0.095 7.700 270 HE1 HIS 38 HE1 HIS 38 4.934 -3.686 9.235 271 H LEU 39 H LEU 39 2.935 1.939 6.365 272 HA LEU 39 HA LEU 39 3.716 4.720 5.952 273 HB2 LEU 39 HB2 LEU 39 1.199 3.543 7.223 274 HB3 LEU 39 HB3 LEU 39 1.416 5.199 6.710 275 HG LEU 39 HG LEU 39 1.209 2.730 4.954 276 HD11 LEU 39 HD11 LEU 39 -0.896 3.705 5.722 277 HD12 LEU 39 HD12 LEU 39 -0.706 4.019 3.983 278 HD13 LEU 39 HD13 LEU 39 -0.393 5.309 5.149 279 HD21 LEU 39 HD21 LEU 39 2.050 5.515 4.085 280 HD22 LEU 39 HD22 LEU 39 1.404 4.278 2.977 281 HD23 LEU 39 HD23 LEU 39 2.899 3.969 3.848 282 H LYS 40 H LYS 40 4.196 6.262 7.519 283 HA LYS 40 HA LYS 40 4.507 5.253 10.319 284 HB2 LYS 40 HB2 LYS 40 6.116 7.480 9.049 285 HB3 LYS 40 HB3 LYS 40 6.438 6.613 10.541 286 HG2 LYS 40 HG2 LYS 40 6.669 5.571 7.692 287 HG3 LYS 40 HG3 LYS 40 7.992 6.033 8.732 288 HD2 LYS 40 HD2 LYS 40 6.143 3.711 9.444 289 HD3 LYS 40 HD3 LYS 40 7.541 3.537 8.376 290 HE2 LYS 40 HE2 LYS 40 9.055 4.376 10.105 291 HE3 LYS 40 HE3 LYS 40 7.689 4.625 11.209 292 HZ1 LYS 40 HZ1 LYS 40 8.763 2.622 11.758 293 HZ2 LYS 40 HZ2 LYS 40 8.715 2.022 10.237 294 HZ3 LYS 40 HZ3 LYS 40 7.320 2.200 11.121 295 H GLU 41 H GLU 41 4.202 8.417 8.578 296 HA GLU 41 HA GLU 41 1.934 9.066 10.370 297 HB2 GLU 41 HB2 GLU 41 2.817 11.104 11.159 298 HB3 GLU 41 HB3 GLU 41 4.081 9.920 11.431 299 HG2 GLU 41 HG2 GLU 41 5.137 10.747 9.237 300 HG3 GLU 41 HG3 GLU 41 3.930 12.022 9.232 301 H LYS 42 H LYS 42 0.998 11.256 9.780 302 HA LYS 42 HA LYS 42 0.565 11.370 6.882 303 HB2 LYS 42 HB2 LYS 42 -1.206 11.398 8.920 304 HB3 LYS 42 HB3 LYS 42 -0.859 13.130 8.884 305 HG2 LYS 42 HG2 LYS 42 -1.722 11.486 6.489 306 HG3 LYS 42 HG3 LYS 42 -2.853 12.336 7.521 307 HD2 LYS 42 HD2 LYS 42 -0.631 13.592 5.935 308 HD3 LYS 42 HD3 LYS 42 -2.253 13.416 5.348 309 HE2 LYS 42 HE2 LYS 42 -2.944 14.922 7.303 310 HE3 LYS 42 HE3 LYS 42 -1.205 15.233 7.545 311 HZ1 LYS 42 HZ1 LYS 42 -2.164 16.892 6.041 312 HZ2 LYS 42 HZ2 LYS 42 -2.779 15.713 5.083 313 HZ3 LYS 42 HZ3 LYS 42 -1.143 15.915 5.186 314 H VAL 43 H VAL 43 1.342 13.109 5.708 315 HA VAL 43 HA VAL 43 2.706 15.320 7.182 316 HB VAL 43 HB VAL 43 4.391 15.357 5.432 317 HG11 VAL 43 HG11 VAL 43 4.714 13.990 7.522 318 HG12 VAL 43 HG12 VAL 43 4.222 12.551 6.615 319 HG13 VAL 43 HG13 VAL 43 5.684 13.462 6.149 320 HG21 VAL 43 HG21 VAL 43 3.119 14.423 3.571 321 HG22 VAL 43 HG22 VAL 43 4.679 13.620 3.821 322 HG23 VAL 43 HG23 VAL 43 3.176 12.812 4.331 323 H ASP 44 H ASP 44 2.958 17.319 5.754 324 HA ASP 44 HA ASP 44 0.333 17.833 4.560 325 HB2 ASP 44 HB2 ASP 44 1.538 19.586 5.947 326 HB3 ASP 44 HB3 ASP 44 2.690 19.716 4.596 327 H GLU 45 H GLU 45 0.244 18.914 2.481 328 HA GLU 45 HA GLU 45 1.517 17.338 0.386 329 HB2 GLU 45 HB2 GLU 45 0.114 18.508 -1.130 330 HB3 GLU 45 HB3 GLU 45 -0.852 17.905 0.216 331 HG2 GLU 45 HG2 GLU 45 -1.133 20.098 1.142 332 HG3 GLU 45 HG3 GLU 45 0.146 20.773 0.146 333 H ASP 46 H ASP 46 2.352 20.287 2.025 334 HA ASP 46 HA ASP 46 3.892 21.129 -0.352 335 HB2 ASP 46 HB2 ASP 46 2.580 22.684 1.282 336 HB3 ASP 46 HB3 ASP 46 4.042 22.566 2.279 337 H LYS 47 H LYS 47 4.328 18.903 2.026 338 HA LYS 47 HA LYS 47 7.185 19.345 2.558 339 HB2 LYS 47 HB2 LYS 47 5.641 16.745 2.931 340 HB3 LYS 47 HB3 LYS 47 7.084 17.280 3.770 341 HG2 LYS 47 HG2 LYS 47 4.297 18.412 4.087 342 HG3 LYS 47 HG3 LYS 47 5.111 17.336 5.173 343 HD2 LYS 47 HD2 LYS 47 6.925 19.347 5.179 344 HD3 LYS 47 HD3 LYS 47 5.460 20.250 4.692 345 HE2 LYS 47 HE2 LYS 47 5.540 20.295 7.121 346 HE3 LYS 47 HE3 LYS 47 4.253 19.198 6.606 347 HZ1 LYS 47 HZ1 LYS 47 6.870 18.509 7.820 348 HZ2 LYS 47 HZ2 LYS 47 6.149 17.416 6.868 349 HZ3 LYS 47 HZ3 LYS 47 5.360 17.942 8.192 350 H LYS 48 H LYS 48 5.203 17.726 0.196 351 HA LYS 48 HA LYS 48 6.911 15.649 -0.607 352 HB2 LYS 48 HB2 LYS 48 5.688 15.593 -2.676 353 HB3 LYS 48 HB3 LYS 48 4.578 15.954 -1.360 354 HG2 LYS 48 HG2 LYS 48 4.885 18.451 -2.086 355 HG3 LYS 48 HG3 LYS 48 5.630 17.793 -3.548 356 HD2 LYS 48 HD2 LYS 48 3.628 16.540 -4.096 357 HD3 LYS 48 HD3 LYS 48 2.904 16.944 -2.564 358 HE2 LYS 48 HE2 LYS 48 1.990 18.198 -4.512 359 HE3 LYS 48 HE3 LYS 48 2.521 19.184 -3.144 360 HZ1 LYS 48 HZ1 LYS 48 4.009 18.846 -5.696 361 HZ2 LYS 48 HZ2 LYS 48 4.532 19.712 -4.362 362 HZ3 LYS 48 HZ3 LYS 48 3.195 20.154 -5.141 363 H GLY 49 H GLY 49 8.781 15.451 -1.738 364 HA2 GLY 49 HA2 GLY 49 10.268 17.840 -2.504 365 HA3 GLY 49 HA3 GLY 49 10.754 16.162 -2.724 366 H LYS 50 H LYS 50 8.931 15.010 -4.278 367 HA LYS 50 HA LYS 50 7.967 16.505 -6.561 368 HB2 LYS 50 HB2 LYS 50 9.565 15.312 -8.126 369 HB3 LYS 50 HB3 LYS 50 10.389 16.503 -7.116 370 HG2 LYS 50 HG2 LYS 50 11.224 14.782 -5.620 371 HG3 LYS 50 HG3 LYS 50 10.245 13.538 -6.416 372 HD2 LYS 50 HD2 LYS 50 11.590 14.076 -8.547 373 HD3 LYS 50 HD3 LYS 50 12.752 14.857 -7.431 374 HE2 LYS 50 HE2 LYS 50 12.700 12.682 -6.085 375 HE3 LYS 50 HE3 LYS 50 11.698 11.986 -7.347 376 HZ1 LYS 50 HZ1 LYS 50 14.494 12.856 -7.622 377 HZ2 LYS 50 HZ2 LYS 50 13.572 12.322 -8.901 378 HZ3 LYS 50 HZ3 LYS 50 13.913 11.348 -7.647 379 H VAL 51 H VAL 51 7.083 14.880 -8.156 380 HA VAL 51 HA VAL 51 5.912 12.508 -6.806 381 HB VAL 51 HB VAL 51 5.590 13.919 -9.483 382 HG11 VAL 51 HG11 VAL 51 4.290 11.296 -8.614 383 HG12 VAL 51 HG12 VAL 51 3.750 12.297 -9.974 384 HG13 VAL 51 HG13 VAL 51 5.338 11.565 -10.037 385 HG21 VAL 51 HG21 VAL 51 3.418 14.433 -8.785 386 HG22 VAL 51 HG22 VAL 51 3.505 13.319 -7.387 387 HG23 VAL 51 HG23 VAL 51 4.455 14.835 -7.428 388 H ILE 52 H ILE 52 6.255 10.415 -7.590 389 HA ILE 52 HA ILE 52 8.561 9.930 -9.384 390 HB ILE 52 HB ILE 52 9.462 8.196 -7.876 391 HG12 ILE 52 HG12 ILE 52 7.757 9.445 -5.672 392 HG13 ILE 52 HG13 ILE 52 7.415 7.892 -6.440 393 HG21 ILE 52 HG21 ILE 52 10.495 10.413 -8.065 394 HG22 ILE 52 HG22 ILE 52 9.520 11.002 -6.692 395 HG23 ILE 52 HG23 ILE 52 10.747 9.730 -6.466 396 HD11 ILE 52 HD11 ILE 52 9.674 7.070 -5.715 397 HD12 ILE 52 HD12 ILE 52 9.817 8.550 -4.727 398 HD13 ILE 52 HD13 ILE 52 8.500 7.405 -4.433 399 H GLY 53 H GLY 53 5.627 8.728 -7.735 400 HA2 GLY 53 HA2 GLY 53 5.093 6.976 -10.041 401 HA3 GLY 53 HA3 GLY 53 5.301 6.185 -8.457 402 H ALA 54 H ALA 54 2.871 5.698 -9.386 403 HA ALA 54 HA ALA 54 1.200 7.363 -7.707 404 HB1 ALA 54 HB1 ALA 54 1.170 8.509 -9.965 405 HB2 ALA 54 HB2 ALA 54 0.600 7.010 -10.681 406 HB3 ALA 54 HB3 ALA 54 -0.423 7.864 -9.501 407 H ILE 55 H ILE 55 0.024 5.910 -6.443 408 HA ILE 55 HA ILE 55 -0.444 3.200 -7.485 409 HB ILE 55 HB ILE 55 -1.446 4.603 -4.972 410 HG12 ILE 55 HG12 ILE 55 1.009 2.831 -5.357 411 HG13 ILE 55 HG13 ILE 55 0.993 4.537 -4.945 412 HG21 ILE 55 HG21 ILE 55 -1.367 1.660 -5.697 413 HG22 ILE 55 HG22 ILE 55 -1.946 2.383 -4.173 414 HG23 ILE 55 HG23 ILE 55 -2.812 2.712 -5.650 415 HD11 ILE 55 HD11 ILE 55 0.046 2.252 -3.188 416 HD12 ILE 55 HD12 ILE 55 1.421 3.323 -2.942 417 HD13 ILE 55 HD13 ILE 55 -0.237 3.975 -2.818 418 H GLY 56 H GLY 56 -2.524 5.934 -6.419 419 HA2 GLY 56 HA2 GLY 56 -4.563 6.708 -7.088 420 HA3 GLY 56 HA3 GLY 56 -4.027 6.286 -8.700 421 H GLN 57 H GLN 57 -4.423 3.394 -6.806 422 HA GLN 57 HA GLN 57 -6.715 2.637 -8.424 423 HB2 GLN 57 HB2 GLN 57 -5.441 1.074 -6.151 424 HB3 GLN 57 HB3 GLN 57 -6.372 0.458 -7.518 425 HG2 GLN 57 HG2 GLN 57 -4.457 1.395 -8.980 426 HG3 GLN 57 HG3 GLN 57 -3.513 1.473 -7.489 427 HE21 GLN 57 HE21 GLN 57 -3.033 -0.640 -6.308 428 HE22 GLN 57 HE22 GLN 57 -3.199 -2.125 -7.205 429 H THR 58 H THR 58 -8.509 1.316 -7.258 430 HA THR 58 HA THR 58 -9.208 2.342 -4.610 431 HB THR 58 HB THR 58 -11.338 2.391 -6.736 432 HG1 THR 58 HG1 THR 58 -9.627 3.977 -7.127 433 HG21 THR 58 HG21 THR 58 -12.172 2.275 -4.459 434 HG22 THR 58 HG22 THR 58 -12.474 3.888 -5.120 435 HG23 THR 58 HG23 THR 58 -11.143 3.640 -3.975 436 H PHE 59 H PHE 59 -10.201 0.754 -3.372 437 HA PHE 59 HA PHE 59 -11.277 -1.669 -4.658 438 HB2 PHE 59 HB2 PHE 59 -9.046 -1.666 -2.592 439 HB3 PHE 59 HB3 PHE 59 -9.909 -3.086 -3.171 440 HD1 PHE 59 HD1 PHE 59 -9.544 -3.992 -5.408 441 HD2 PHE 59 HD2 PHE 59 -7.237 -0.688 -3.880 442 HE1 PHE 59 HE1 PHE 59 -7.785 -4.427 -7.071 443 HE2 PHE 59 HE2 PHE 59 -5.436 -1.250 -5.509 444 HZ PHE 59 HZ PHE 59 -5.826 -2.922 -7.279 445 H PHE 60 H PHE 60 -12.216 -3.132 -2.708 446 HA PHE 60 HA PHE 60 -13.106 -1.404 -0.436 447 HB2 PHE 60 HB2 PHE 60 -14.985 -3.182 -2.013 448 HB3 PHE 60 HB3 PHE 60 -15.379 -2.217 -0.592 449 HD1 PHE 60 HD1 PHE 60 -14.620 -2.127 -4.207 450 HD2 PHE 60 HD2 PHE 60 -15.720 0.192 -0.749 451 HE1 PHE 60 HE1 PHE 60 -15.346 -0.315 -5.664 452 HE2 PHE 60 HE2 PHE 60 -16.628 1.949 -2.202 453 HZ PHE 60 HZ PHE 60 -16.415 1.745 -4.704 454 H VAL 61 H VAL 61 -13.784 -2.569 1.544 455 HA VAL 61 HA VAL 61 -13.469 -5.476 1.496 456 HB VAL 61 HB VAL 61 -12.258 -5.508 3.599 457 HG11 VAL 61 HG11 VAL 61 -11.091 -5.620 1.393 458 HG12 VAL 61 HG12 VAL 61 -10.646 -3.906 1.647 459 HG13 VAL 61 HG13 VAL 61 -10.109 -5.164 2.781 460 HG21 VAL 61 HG21 VAL 61 -11.083 -3.546 4.416 461 HG22 VAL 61 HG22 VAL 61 -11.898 -2.511 3.232 462 HG23 VAL 61 HG23 VAL 61 -12.826 -3.329 4.536 463 H ASP 62 H ASP 62 -14.303 -6.363 3.717 464 HA ASP 62 HA ASP 62 -16.678 -4.815 4.554 465 HB2 ASP 62 HB2 ASP 62 -17.866 -6.756 4.703 466 HB3 ASP 62 HB3 ASP 62 -16.870 -7.122 3.290 467 H GLY 63 H GLY 63 -17.263 -6.091 6.911 468 HA2 GLY 63 HA2 GLY 63 -15.410 -4.994 8.795 469 HA3 GLY 63 HA3 GLY 63 -16.789 -6.031 9.139 470 H ASP 64 H ASP 64 -15.583 -8.096 7.178 471 HA ASP 64 HA ASP 64 -13.899 -9.441 9.170 472 HB2 ASP 64 HB2 ASP 64 -15.821 -10.599 8.023 473 HB3 ASP 64 HB3 ASP 64 -14.926 -10.512 6.502 474 H GLY 65 H GLY 65 -13.453 -7.259 6.732 475 HA2 GLY 65 HA2 GLY 65 -11.566 -6.399 5.760 476 HA3 GLY 65 HA3 GLY 65 -10.575 -7.529 6.709 477 H LYS 66 H LYS 66 -13.276 -8.475 4.546 478 HA LYS 66 HA LYS 66 -11.410 -10.127 2.938 479 HB2 LYS 66 HB2 LYS 66 -14.433 -10.008 3.228 480 HB3 LYS 66 HB3 LYS 66 -13.605 -10.972 2.026 481 HG2 LYS 66 HG2 LYS 66 -13.214 -11.261 5.029 482 HG3 LYS 66 HG3 LYS 66 -14.331 -12.223 4.058 483 HD2 LYS 66 HD2 LYS 66 -11.306 -12.212 3.862 484 HD3 LYS 66 HD3 LYS 66 -12.304 -13.498 4.488 485 HE2 LYS 66 HE2 LYS 66 -13.379 -13.727 2.233 486 HE3 LYS 66 HE3 LYS 66 -12.272 -12.497 1.603 487 HZ1 LYS 66 HZ1 LYS 66 -11.293 -15.036 2.775 488 HZ2 LYS 66 HZ2 LYS 66 -10.473 -13.957 1.804 489 HZ3 LYS 66 HZ3 LYS 66 -11.685 -14.856 1.234 490 H ARG 67 H ARG 67 -11.031 -9.647 0.820 491 HA ARG 67 HA ARG 67 -11.759 -7.010 -0.100 492 HB2 ARG 67 HB2 ARG 67 -9.741 -8.951 -0.650 493 HB3 ARG 67 HB3 ARG 67 -10.639 -8.793 -2.153 494 HG2 ARG 67 HG2 ARG 67 -9.686 -6.365 -0.546 495 HG3 ARG 67 HG3 ARG 67 -8.608 -7.207 -1.651 496 HD2 ARG 67 HD2 ARG 67 -11.290 -6.017 -2.494 497 HD3 ARG 67 HD3 ARG 67 -9.696 -5.235 -2.668 498 HE ARG 67 HE ARG 67 -9.205 -7.587 -3.725 499 HH11 ARG 67 HH11 ARG 67 -12.134 -5.727 -4.584 500 HH12 ARG 67 HH12 ARG 67 -11.864 -5.955 -6.269 501 HH21 ARG 67 HH21 ARG 67 -9.351 -8.413 -5.763 502 HH22 ARG 67 HH22 ARG 67 -10.523 -7.897 -6.894 503 H TRP 68 H TRP 68 -13.560 -6.464 -1.130 504 HA TRP 68 HA TRP 68 -15.675 -8.368 -1.534 505 HB2 TRP 68 HB2 TRP 68 -15.189 -5.474 -2.313 506 HB3 TRP 68 HB3 TRP 68 -16.547 -6.363 -2.979 507 HD1 TRP 68 HD1 TRP 68 -15.313 -5.679 0.656 508 HE1 TRP 68 HE1 TRP 68 -17.346 -5.140 2.099 509 HE3 TRP 68 HE3 TRP 68 -18.936 -6.536 -2.831 510 HZ2 TRP 68 HZ2 TRP 68 -20.241 -5.184 1.772 511 HZ3 TRP 68 HZ3 TRP 68 -21.334 -6.452 -2.194 512 HH2 TRP 68 HH2 TRP 68 -21.987 -5.811 0.108 513 H SER 69 H SER 69 -16.281 -9.500 -3.310 514 HA SER 69 HA SER 69 -14.436 -9.814 -5.528 515 HB2 SER 69 HB2 SER 69 -15.880 -11.644 -4.662 516 HB3 SER 69 HB3 SER 69 -17.322 -10.678 -4.992 517 HG SER 69 HG SER 69 -17.128 -12.146 -6.565 518 H GLU 70 H GLU 70 -14.640 -8.694 -7.609 519 HA GLU 70 HA GLU 70 -16.172 -6.290 -7.622 520 HB2 GLU 70 HB2 GLU 70 -14.959 -7.828 -9.956 521 HB3 GLU 70 HB3 GLU 70 -15.717 -6.228 -10.060 522 HG2 GLU 70 HG2 GLU 70 -14.095 -5.423 -8.283 523 HG3 GLU 70 HG3 GLU 70 -13.244 -6.960 -8.435 524 H GLU 71 H GLU 71 -17.065 -9.586 -8.361 525 HA GLU 71 HA GLU 71 -19.363 -9.018 -9.932 526 HB2 GLU 71 HB2 GLU 71 -18.802 -11.363 -8.091 527 HB3 GLU 71 HB3 GLU 71 -20.103 -11.258 -9.268 528 HG2 GLU 71 HG2 GLU 71 -18.203 -10.814 -11.007 529 HG3 GLU 71 HG3 GLU 71 -17.146 -11.425 -9.722 530 H GLU 72 H GLU 72 -18.799 -9.344 -6.443 531 HA GLU 72 HA GLU 72 -21.560 -9.129 -5.625 532 HB2 GLU 72 HB2 GLU 72 -18.965 -8.657 -4.137 533 HB3 GLU 72 HB3 GLU 72 -20.555 -8.637 -3.360 534 HG2 GLU 72 HG2 GLU 72 -20.982 -10.935 -3.883 535 HG3 GLU 72 HG3 GLU 72 -19.619 -11.033 -4.992 536 H LEU 73 H LEU 73 -19.118 -6.810 -6.572 537 HA LEU 73 HA LEU 73 -20.413 -4.510 -5.345 538 HB2 LEU 73 HB2 LEU 73 -18.520 -4.563 -7.728 539 HB3 LEU 73 HB3 LEU 73 -18.949 -3.154 -6.793 540 HG LEU 73 HG LEU 73 -17.393 -5.535 -5.743 541 HD11 LEU 73 HD11 LEU 73 -16.454 -2.709 -6.315 542 HD12 LEU 73 HD12 LEU 73 -16.181 -4.096 -7.380 543 HD13 LEU 73 HD13 LEU 73 -15.469 -4.088 -5.754 544 HD21 LEU 73 HD21 LEU 73 -18.694 -4.444 -3.926 545 HD22 LEU 73 HD22 LEU 73 -17.938 -2.890 -4.378 546 HD23 LEU 73 HD23 LEU 73 -16.945 -4.202 -3.746 547 H LYS 74 H LYS 74 -21.166 -6.467 -8.095 548 HA LYS 74 HA LYS 74 -22.694 -4.380 -9.521 549 HB2 LYS 74 HB2 LYS 74 -22.729 -7.390 -9.929 550 HB3 LYS 74 HB3 LYS 74 -23.325 -6.189 -11.056 551 HG2 LYS 74 HG2 LYS 74 -21.191 -5.547 -11.778 552 HG3 LYS 74 HG3 LYS 74 -20.414 -6.078 -10.300 553 HD2 LYS 74 HD2 LYS 74 -19.702 -7.737 -11.686 554 HD3 LYS 74 HD3 LYS 74 -21.130 -8.465 -10.944 555 HE2 LYS 74 HE2 LYS 74 -21.195 -9.048 -13.209 556 HE3 LYS 74 HE3 LYS 74 -22.440 -7.806 -13.000 557 HZ1 LYS 74 HZ1 LYS 74 -19.731 -7.427 -14.146 558 HZ2 LYS 74 HZ2 LYS 74 -20.816 -6.219 -13.951 559 HZ3 LYS 74 HZ3 LYS 74 -21.143 -7.437 -14.986 560 H GLU 75 H GLU 75 -23.218 -6.549 -6.915 561 HA GLU 75 HA GLU 75 -25.858 -7.390 -7.169 562 HB2 GLU 75 HB2 GLU 75 -24.278 -6.631 -4.756 563 HB3 GLU 75 HB3 GLU 75 -25.841 -7.318 -4.591 564 HG2 GLU 75 HG2 GLU 75 -23.757 -8.755 -6.271 565 HG3 GLU 75 HG3 GLU 75 -23.841 -8.917 -4.520 566 HA PRO 76 HA PRO 76 -28.323 -3.759 -6.608 567 HB2 PRO 76 HB2 PRO 76 -30.578 -4.680 -5.371 568 HB3 PRO 76 HB3 PRO 76 -30.171 -4.990 -7.086 569 HG2 PRO 76 HG2 PRO 76 -29.960 -6.858 -4.750 570 HG3 PRO 76 HG3 PRO 76 -30.295 -7.238 -6.465 571 HD2 PRO 76 HD2 PRO 76 -27.839 -7.456 -5.105 572 HD3 PRO 76 HD3 PRO 76 -27.986 -7.512 -6.866 573 H TYR 77 H TYR 77 -27.402 -2.387 -5.312 574 HA TYR 77 HA TYR 77 -26.625 -2.853 -2.608 575 HB2 TYR 77 HB2 TYR 77 -25.600 -1.186 -4.145 576 HB3 TYR 77 HB3 TYR 77 -27.044 -0.175 -4.002 577 HD1 TYR 77 HD1 TYR 77 -24.260 -1.786 -2.100 578 HD2 TYR 77 HD2 TYR 77 -27.377 1.179 -2.023 579 HE1 TYR 77 HE1 TYR 77 -23.420 -0.968 0.055 580 HE2 TYR 77 HE2 TYR 77 -26.601 1.963 0.162 581 HH TYR 77 HH TYR 77 -25.191 1.348 2.044 582 H ILE 78 H ILE 78 -29.423 -1.085 -3.924 583 HA ILE 78 HA ILE 78 -30.520 -0.399 -1.351 584 HB ILE 78 HB ILE 78 -32.572 0.169 -2.520 585 HG12 ILE 78 HG12 ILE 78 -31.253 -0.705 -5.127 586 HG13 ILE 78 HG13 ILE 78 -32.479 -1.651 -4.289 587 HG21 ILE 78 HG21 ILE 78 -31.658 2.058 -3.758 588 HG22 ILE 78 HG22 ILE 78 -30.647 1.731 -2.357 589 HG23 ILE 78 HG23 ILE 78 -30.101 1.221 -3.965 590 HD11 ILE 78 HD11 ILE 78 -34.109 0.176 -4.480 591 HD12 ILE 78 HD12 ILE 78 -32.934 1.129 -5.412 592 HD13 ILE 78 HD13 ILE 78 -33.537 -0.409 -6.053 593 H SER 79 H SER 79 -31.990 -1.440 -0.079 594 HA SER 79 HA SER 79 -33.424 -3.824 -0.877 595 HB2 SER 79 HB2 SER 79 -31.054 -3.994 1.055 596 HB3 SER 79 HB3 SER 79 -32.331 -5.215 0.937 597 HG SER 79 HG SER 79 -31.075 -4.467 -1.446 598 H ASN 80 H ASN 80 -35.040 -4.312 0.723 599 HA ASN 80 HA ASN 80 -35.863 -2.061 2.353 600 HB2 ASN 80 HB2 ASN 80 -36.864 -4.945 2.314 601 HB3 ASN 80 HB3 ASN 80 -37.642 -3.602 3.152 602 HD21 ASN 80 HD21 ASN 80 -38.148 -5.418 0.497 603 HD22 ASN 80 HD22 ASN 80 -38.803 -4.160 -0.546 604 H ASN 81 H ASN 81 -33.726 -4.636 2.859 605 HA ASN 81 HA ASN 81 -33.741 -4.553 5.808 606 HB2 ASN 81 HB2 ASN 81 -32.524 -6.774 5.434 607 HB3 ASN 81 HB3 ASN 81 -34.222 -6.727 5.024 608 HD21 ASN 81 HD21 ASN 81 -30.966 -6.704 3.497 609 HD22 ASN 81 HD22 ASN 81 -31.485 -7.296 1.940 610 HA PRO 82 HA PRO 82 -29.964 -2.315 4.202 611 HB2 PRO 82 HB2 PRO 82 -29.865 -0.276 6.051 612 HB3 PRO 82 HB3 PRO 82 -30.865 -0.228 4.567 613 HG2 PRO 82 HG2 PRO 82 -31.721 -1.038 7.365 614 HG3 PRO 82 HG3 PRO 82 -32.525 0.122 6.255 615 HD2 PRO 82 HD2 PRO 82 -33.370 -2.441 6.432 616 HD3 PRO 82 HD3 PRO 82 -33.289 -1.617 4.840 617 H ASP 83 H ASP 83 -30.783 -3.787 7.228 618 HA ASP 83 HA ASP 83 -28.125 -3.516 8.447 619 HB2 ASP 83 HB2 ASP 83 -30.308 -3.640 9.686 620 HB3 ASP 83 HB3 ASP 83 -30.465 -5.313 9.174 621 H GLU 84 H GLU 84 -29.729 -5.675 6.291 622 HA GLU 84 HA GLU 84 -28.044 -8.029 6.685 623 HB2 GLU 84 HB2 GLU 84 -30.411 -7.160 5.122 624 HB3 GLU 84 HB3 GLU 84 -29.466 -8.394 4.337 625 HG2 GLU 84 HG2 GLU 84 -30.421 -8.710 7.205 626 HG3 GLU 84 HG3 GLU 84 -31.438 -9.088 5.817 627 H ILE 85 H ILE 85 -27.452 -5.111 5.013 628 HA ILE 85 HA ILE 85 -25.871 -6.520 2.911 629 HB ILE 85 HB ILE 85 -25.522 -4.303 1.924 630 HG12 ILE 85 HG12 ILE 85 -27.797 -3.317 3.658 631 HG13 ILE 85 HG13 ILE 85 -26.107 -2.999 4.027 632 HG21 ILE 85 HG21 ILE 85 -27.224 -5.925 1.121 633 HG22 ILE 85 HG22 ILE 85 -28.444 -5.175 2.167 634 HG23 ILE 85 HG23 ILE 85 -27.727 -4.263 0.818 635 HD11 ILE 85 HD11 ILE 85 -27.037 -1.081 2.885 636 HD12 ILE 85 HD12 ILE 85 -25.823 -1.857 1.847 637 HD13 ILE 85 HD13 ILE 85 -27.561 -2.088 1.524 638 H ARG 86 H ARG 86 -23.844 -6.796 3.169 639 HA ARG 86 HA ARG 86 -22.530 -6.289 5.627 640 HB2 ARG 86 HB2 ARG 86 -22.062 -7.974 3.481 641 HB3 ARG 86 HB3 ARG 86 -20.806 -6.773 3.224 642 HG2 ARG 86 HG2 ARG 86 -19.792 -8.442 4.577 643 HG3 ARG 86 HG3 ARG 86 -20.168 -7.124 5.691 644 HD2 ARG 86 HD2 ARG 86 -22.457 -8.414 5.983 645 HD3 ARG 86 HD3 ARG 86 -21.576 -9.787 5.307 646 HE ARG 86 HE ARG 86 -19.912 -8.974 7.314 647 HH11 ARG 86 HH11 ARG 86 -23.372 -9.740 7.171 648 HH12 ARG 86 HH12 ARG 86 -23.529 -10.086 8.867 649 HH21 ARG 86 HH21 ARG 86 -20.061 -9.456 9.527 650 HH22 ARG 86 HH22 ARG 86 -21.539 -9.994 10.251 651 H GLU 87 H GLU 87 -20.668 -4.944 6.124 652 HA GLU 87 HA GLU 87 -21.048 -2.294 5.065 653 HB2 GLU 87 HB2 GLU 87 -19.060 -1.651 6.361 654 HB3 GLU 87 HB3 GLU 87 -20.286 -2.467 7.339 655 HG2 GLU 87 HG2 GLU 87 -18.012 -4.039 6.167 656 HG3 GLU 87 HG3 GLU 87 -17.698 -2.983 7.512 657 H LYS 88 H LYS 88 -19.365 -1.018 4.031 658 HA LYS 88 HA LYS 88 -17.474 -2.563 2.363 659 HB2 LYS 88 HB2 LYS 88 -19.452 -2.435 1.036 660 HB3 LYS 88 HB3 LYS 88 -19.654 -0.701 1.370 661 HG2 LYS 88 HG2 LYS 88 -17.683 -0.160 0.132 662 HG3 LYS 88 HG3 LYS 88 -17.381 -1.883 -0.197 663 HD2 LYS 88 HD2 LYS 88 -19.940 -0.483 -1.075 664 HD3 LYS 88 HD3 LYS 88 -18.447 -0.445 -2.029 665 HE2 LYS 88 HE2 LYS 88 -19.304 -2.224 -2.992 666 HE3 LYS 88 HE3 LYS 88 -18.492 -3.058 -1.670 667 HZ1 LYS 88 HZ1 LYS 88 -20.680 -3.933 -1.719 668 HZ2 LYS 88 HZ2 LYS 88 -21.368 -2.468 -2.004 669 HZ3 LYS 88 HZ3 LYS 88 -20.801 -2.849 -0.501 670 H LYS 89 H LYS 89 -15.603 -1.726 3.074 671 HA LYS 89 HA LYS 89 -15.350 1.125 3.767 672 HB2 LYS 89 HB2 LYS 89 -13.442 -1.225 4.072 673 HB3 LYS 89 HB3 LYS 89 -13.116 0.429 4.539 674 HG2 LYS 89 HG2 LYS 89 -13.757 -0.358 6.550 675 HG3 LYS 89 HG3 LYS 89 -15.322 0.167 5.914 676 HD2 LYS 89 HD2 LYS 89 -16.238 -1.873 5.935 677 HD3 LYS 89 HD3 LYS 89 -14.776 -2.645 5.323 678 HE2 LYS 89 HE2 LYS 89 -15.124 -3.474 7.535 679 HE3 LYS 89 HE3 LYS 89 -13.691 -2.448 7.507 680 HZ1 LYS 89 HZ1 LYS 89 -16.249 -1.969 8.847 681 HZ2 LYS 89 HZ2 LYS 89 -15.334 -0.646 8.391 682 HZ3 LYS 89 HZ3 LYS 89 -14.751 -1.810 9.380 683 HA PRO 90 HA PRO 90 -13.596 1.278 -0.476 684 HB2 PRO 90 HB2 PRO 90 -13.695 3.983 -0.834 685 HB3 PRO 90 HB3 PRO 90 -15.167 2.973 -0.918 686 HG2 PRO 90 HG2 PRO 90 -14.182 4.612 1.395 687 HG3 PRO 90 HG3 PRO 90 -15.839 4.502 0.756 688 HD2 PRO 90 HD2 PRO 90 -14.984 3.031 2.930 689 HD3 PRO 90 HD3 PRO 90 -16.224 2.460 1.775 690 H LEU 91 H LEU 91 -11.458 1.486 -1.003 691 HA LEU 91 HA LEU 91 -9.583 2.939 0.841 692 HB2 LEU 91 HB2 LEU 91 -9.043 0.427 -0.775 693 HB3 LEU 91 HB3 LEU 91 -7.949 1.216 0.354 694 HG LEU 91 HG LEU 91 -10.465 -0.380 0.962 695 HD11 LEU 91 HD11 LEU 91 -8.909 -1.961 1.930 696 HD12 LEU 91 HD12 LEU 91 -7.553 -0.824 1.755 697 HD13 LEU 91 HD13 LEU 91 -8.293 -1.504 0.317 698 HD21 LEU 91 HD21 LEU 91 -10.240 1.486 2.670 699 HD22 LEU 91 HD22 LEU 91 -8.649 0.824 3.097 700 HD23 LEU 91 HD23 LEU 91 -10.102 -0.147 3.323 701 H ARG 92 H ARG 92 -9.268 4.833 -0.342 702 HA ARG 92 HA ARG 92 -9.008 4.677 -3.313 703 HB2 ARG 92 HB2 ARG 92 -9.539 6.959 -1.372 704 HB3 ARG 92 HB3 ARG 92 -9.117 7.216 -3.068 705 HG2 ARG 92 HG2 ARG 92 -11.107 6.141 -3.857 706 HG3 ARG 92 HG3 ARG 92 -11.506 5.537 -2.238 707 HD2 ARG 92 HD2 ARG 92 -12.585 7.425 -1.690 708 HD3 ARG 92 HD3 ARG 92 -11.170 8.396 -2.078 709 HE ARG 92 HE ARG 92 -12.146 9.147 -3.911 710 HH11 ARG 92 HH11 ARG 92 -13.887 6.124 -3.110 711 HH12 ARG 92 HH12 ARG 92 -15.295 6.586 -3.976 712 HH21 ARG 92 HH21 ARG 92 -13.958 9.601 -5.241 713 HH22 ARG 92 HH22 ARG 92 -15.346 8.587 -5.222 714 H TYR 93 H TYR 93 -6.931 4.354 -3.903 715 HA TYR 93 HA TYR 93 -4.755 5.256 -2.151 716 HB2 TYR 93 HB2 TYR 93 -4.696 3.548 -4.651 717 HB3 TYR 93 HB3 TYR 93 -3.329 4.065 -3.672 718 HD1 TYR 93 HD2 TYR 93 -6.564 2.108 -3.424 719 HD2 TYR 93 HD1 TYR 93 -2.620 2.808 -1.833 720 HE1 TYR 93 HE2 TYR 93 -6.896 0.307 -1.739 721 HE2 TYR 93 HE1 TYR 93 -3.002 1.145 -0.081 722 HH TYR 93 HH TYR 93 -4.429 -0.465 0.774 723 H GLY 94 H GLY 94 -3.068 6.752 -2.840 724 HA2 GLY 94 HA2 GLY 94 -3.819 8.728 -4.703 725 HA3 GLY 94 HA3 GLY 94 -3.038 8.685 -3.127 726 H LYS 95 H LYS 95 -1.892 10.069 -5.195 727 HA LYS 95 HA LYS 95 -0.028 8.481 -6.750 728 HB2 LYS 95 HB2 LYS 95 -1.059 10.668 -7.382 729 HB3 LYS 95 HB3 LYS 95 -0.044 11.459 -6.159 730 HG2 LYS 95 HG2 LYS 95 1.885 11.231 -7.429 731 HG3 LYS 95 HG3 LYS 95 1.325 9.735 -8.163 732 HD2 LYS 95 HD2 LYS 95 1.421 11.533 -9.834 733 HD3 LYS 95 HD3 LYS 95 -0.162 10.782 -9.649 734 HE2 LYS 95 HE2 LYS 95 -0.756 13.003 -9.826 735 HE3 LYS 95 HE3 LYS 95 -0.726 12.795 -8.073 736 HZ1 LYS 95 HZ1 LYS 95 0.427 14.777 -8.624 737 HZ2 LYS 95 HZ2 LYS 95 1.348 14.032 -9.778 738 HZ3 LYS 95 HZ3 LYS 95 1.557 13.720 -8.165 739 H VAL 96 H VAL 96 2.466 8.903 -6.483 740 HA VAL 96 HA VAL 96 3.151 8.954 -3.601 741 HB VAL 96 HB VAL 96 4.513 7.425 -5.855 742 HG11 VAL 96 HG11 VAL 96 5.043 7.421 -2.854 743 HG12 VAL 96 HG12 VAL 96 5.747 6.277 -4.023 744 HG13 VAL 96 HG13 VAL 96 6.150 7.997 -4.097 745 HG21 VAL 96 HG21 VAL 96 2.341 6.438 -5.356 746 HG22 VAL 96 HG22 VAL 96 3.607 5.409 -4.691 747 HG23 VAL 96 HG23 VAL 96 2.672 6.476 -3.609 748 H TYR 97 H TYR 97 4.876 10.072 -2.919 749 HA TYR 97 HA TYR 97 6.342 11.759 -4.849 750 HB2 TYR 97 HB2 TYR 97 5.518 12.655 -2.071 751 HB3 TYR 97 HB3 TYR 97 6.141 13.617 -3.398 752 HD1 TYR 97 HD2 TYR 97 3.205 11.835 -2.063 753 HD2 TYR 97 HD1 TYR 97 4.663 14.412 -5.158 754 HE1 TYR 97 HE2 TYR 97 0.834 12.300 -2.694 755 HE2 TYR 97 HE1 TYR 97 2.322 14.921 -5.850 756 HH TYR 97 HH TYR 97 -0.252 14.570 -4.215 757 H SER 98 H SER 98 8.379 12.591 -3.883 758 HA SER 98 HA SER 98 9.692 10.462 -2.387 759 HB2 SER 98 HB2 SER 98 11.518 10.832 -3.703 760 HB3 SER 98 HB3 SER 98 10.332 11.518 -4.753 761 HG SER 98 HG SER 98 10.885 13.563 -3.434 762 H THR 99 H THR 99 11.049 10.825 -0.605 763 HA THR 99 HA THR 99 10.293 13.108 1.059 764 HB THR 99 HB THR 99 11.654 12.001 2.754 765 HG1 THR 99 HG1 THR 99 11.722 9.674 1.098 766 HG21 THR 99 HG21 THR 99 10.040 10.221 3.241 767 HG22 THR 99 HG22 THR 99 9.443 10.292 1.568 768 HG23 THR 99 HG23 THR 99 9.247 11.681 2.666 769 H ASN 100 H ASN 100 11.430 14.411 -0.650 770 HA ASN 100 HA ASN 100 13.147 15.870 -1.341 771 HB2 ASN 100 HB2 ASN 100 14.245 15.824 1.462 772 HB3 ASN 100 HB3 ASN 100 14.169 17.149 0.326 773 HD21 ASN 100 HD21 ASN 100 12.725 15.819 3.090 774 HD22 ASN 100 HD22 ASN 100 11.296 16.890 3.064 775 H GLU 101 H GLU 101 13.717 12.972 -1.382 776 HA GLU 101 HA GLU 101 16.001 11.909 -0.659 777 HB2 GLU 101 HB2 GLU 101 14.649 11.845 -3.364 778 HB3 GLU 101 HB3 GLU 101 15.938 10.764 -2.970 779 HG2 GLU 101 HG2 GLU 101 13.299 10.959 -1.476 780 HG3 GLU 101 HG3 GLU 101 13.693 9.843 -2.789 781 H ASP 102 H ASP 102 15.919 13.520 -3.690 782 HA ASP 102 HA ASP 102 17.535 14.351 -5.127 783 HB2 ASP 102 HB2 ASP 102 17.289 15.983 -3.139 784 HB3 ASP 102 HB3 ASP 102 18.880 15.433 -2.649 785 H SER 103 H SER 103 18.217 11.561 -3.783 786 HA SER 103 HA SER 103 20.959 11.416 -4.807 787 HB2 SER 103 HB2 SER 103 21.546 10.167 -2.625 788 HB3 SER 103 HB3 SER 103 21.415 11.915 -2.564 789 HG SER 103 HG SER 103 19.362 11.729 -1.668 790 H ASP 104 H ASP 104 21.540 8.854 -4.104 791 HA ASP 104 HA ASP 104 19.539 7.280 -5.629 792 HB2 ASP 104 HB2 ASP 104 22.478 6.815 -5.029 793 HB3 ASP 104 HB3 ASP 104 21.447 5.657 -5.856 794 H ALA 105 H ALA 105 19.383 7.977 -2.634 795 HA ALA 105 HA ALA 105 19.774 5.410 -1.262 796 HB1 ALA 105 HB1 ALA 105 18.776 6.485 0.652 797 HB2 ALA 105 HB2 ALA 105 19.999 7.576 -0.064 798 HB3 ALA 105 HB3 ALA 105 18.278 7.882 -0.296 799 H LYS 106 H LYS 106 16.919 7.429 -2.019 800 HA LYS 106 HA LYS 106 14.718 6.888 -2.464 801 HB2 LYS 106 HB2 LYS 106 16.105 6.268 -4.510 802 HB3 LYS 106 HB3 LYS 106 15.737 4.591 -4.058 803 HG2 LYS 106 HG2 LYS 106 13.356 5.046 -4.225 804 HG3 LYS 106 HG3 LYS 106 13.643 6.783 -4.424 805 HD2 LYS 106 HD2 LYS 106 13.087 5.820 -6.539 806 HD3 LYS 106 HD3 LYS 106 14.797 6.327 -6.565 807 HE2 LYS 106 HE2 LYS 106 15.558 4.049 -6.308 808 HE3 LYS 106 HE3 LYS 106 13.939 3.495 -5.868 809 HZ1 LYS 106 HZ1 LYS 106 14.498 2.884 -8.102 810 HZ2 LYS 106 HZ2 LYS 106 14.772 4.423 -8.542 811 HZ3 LYS 106 HZ3 LYS 106 13.233 3.934 -8.138 812 H ASP 107 H ASP 107 15.330 6.046 0.123 813 HA ASP 107 HA ASP 107 14.004 3.372 0.293 814 HB2 ASP 107 HB2 ASP 107 15.909 4.707 2.214 815 HB3 ASP 107 HB3 ASP 107 14.983 3.246 2.559 816 H GLU 108 H GLU 108 13.305 6.734 0.789 817 HA GLU 108 HA GLU 108 10.972 5.866 2.501 818 HB2 GLU 108 HB2 GLU 108 13.001 8.023 2.970 819 HB3 GLU 108 HB3 GLU 108 11.292 8.431 3.181 820 HG2 GLU 108 HG2 GLU 108 11.034 6.543 4.830 821 HG3 GLU 108 HG3 GLU 108 12.788 6.276 4.671 822 H ILE 109 H ILE 109 8.983 6.744 1.791 823 HA ILE 109 HA ILE 109 9.027 8.821 -0.340 824 HB ILE 109 HB ILE 109 7.360 7.375 -1.568 825 HG12 ILE 109 HG12 ILE 109 7.971 4.761 -0.968 826 HG13 ILE 109 HG13 ILE 109 7.977 5.426 0.657 827 HG21 ILE 109 HG21 ILE 109 10.113 6.207 -1.383 828 HG22 ILE 109 HG22 ILE 109 8.943 5.973 -2.689 829 HG23 ILE 109 HG23 ILE 109 9.575 7.589 -2.389 830 HD11 ILE 109 HD11 ILE 109 5.718 6.528 0.056 831 HD12 ILE 109 HD12 ILE 109 5.798 5.494 -1.399 832 HD13 ILE 109 HD13 ILE 109 5.752 4.796 0.245 833 H ILE 110 H ILE 110 6.537 9.245 -0.867 834 HA ILE 110 HA ILE 110 5.018 9.209 1.666 835 HB ILE 110 HB ILE 110 5.032 11.573 -0.201 836 HG12 ILE 110 HG12 ILE 110 6.907 11.048 2.150 837 HG13 ILE 110 HG13 ILE 110 7.375 11.313 0.464 838 HG21 ILE 110 HG21 ILE 110 3.209 11.111 1.552 839 HG22 ILE 110 HG22 ILE 110 4.459 11.387 2.776 840 HG23 ILE 110 HG23 ILE 110 4.015 12.685 1.640 841 HD11 ILE 110 HD11 ILE 110 7.878 13.229 1.603 842 HD12 ILE 110 HD12 ILE 110 6.455 13.582 0.585 843 HD13 ILE 110 HD13 ILE 110 6.285 13.328 2.364 844 H VAL 111 H VAL 111 3.370 7.996 1.320 845 HA VAL 111 HA VAL 111 2.180 7.639 -1.403 846 HB VAL 111 HB VAL 111 2.413 6.033 1.131 847 HG11 VAL 111 HG11 VAL 111 -0.037 5.925 0.796 848 HG12 VAL 111 HG12 VAL 111 0.212 5.451 -0.887 849 HG13 VAL 111 HG13 VAL 111 0.727 4.391 0.446 850 HG21 VAL 111 HG21 VAL 111 3.742 6.017 -1.191 851 HG22 VAL 111 HG22 VAL 111 3.488 4.567 -0.214 852 HG23 VAL 111 HG23 VAL 111 2.463 4.907 -1.640 853 H GLU 112 H GLU 112 0.201 8.468 -1.876 854 HA GLU 112 HA GLU 112 -1.147 9.955 0.242 855 HB2 GLU 112 HB2 GLU 112 -0.959 10.958 -1.858 856 HB3 GLU 112 HB3 GLU 112 -1.453 9.623 -2.643 857 HG2 GLU 112 HG2 GLU 112 -3.808 9.992 -1.453 858 HG3 GLU 112 HG3 GLU 112 -3.222 11.557 -0.982 859 H PHE 113 H PHE 113 -3.236 9.201 1.098 860 HA PHE 113 HA PHE 113 -4.620 6.937 -0.121 861 HB2 PHE 113 HB2 PHE 113 -2.998 6.015 1.666 862 HB3 PHE 113 HB3 PHE 113 -3.895 6.959 2.849 863 HD1 PHE 113 HD2 PHE 113 -4.858 4.753 -0.103 864 HD2 PHE 113 HD1 PHE 113 -5.370 5.612 4.095 865 HE1 PHE 113 HE2 PHE 113 -6.517 3.055 -0.007 866 HE2 PHE 113 HE1 PHE 113 -7.082 3.835 4.210 867 HZ PHE 113 HZ PHE 113 -7.723 2.568 2.193 868 H ASN 114 H ASN 114 -6.779 7.467 -0.106 869 HA ASN 114 HA ASN 114 -8.633 8.752 0.116 870 HB2 ASN 114 HB2 ASN 114 -7.967 8.808 3.075 871 HB3 ASN 114 HB3 ASN 114 -9.517 9.134 2.352 872 HD21 ASN 114 HD21 ASN 114 -10.109 7.012 0.765 873 HD22 ASN 114 HD22 ASN 114 -10.087 5.551 1.748 874 H ARG 115 H ARG 115 -6.651 10.212 -0.863 875 HA ARG 115 HA ARG 115 -5.984 12.325 -1.358 876 HB2 ARG 115 HB2 ARG 115 -8.031 13.384 0.626 877 HB3 ARG 115 HB3 ARG 115 -7.392 14.190 -0.760 878 HG2 ARG 115 HG2 ARG 115 -9.317 11.842 -0.792 879 HG3 ARG 115 HG3 ARG 115 -9.649 13.529 -1.128 880 HD2 ARG 115 HD2 ARG 115 -7.637 13.026 -2.954 881 HD3 ARG 115 HD3 ARG 115 -8.398 11.430 -2.834 882 HE ARG 115 HE ARG 115 -10.353 12.275 -3.777 883 HH11 ARG 115 HH11 ARG 115 -8.129 15.013 -3.095 884 HH12 ARG 115 HH12 ARG 115 -9.223 16.214 -3.674 885 HH21 ARG 115 HH21 ARG 115 -11.687 13.902 -4.769 886 HH22 ARG 115 HH22 ARG 115 -11.149 15.557 -4.744 887 H GLU 116 H GLU 116 -5.226 11.071 1.589 888 HA GLU 116 HA GLU 116 -3.911 13.498 2.645 889 HB2 GLU 116 HB2 GLU 116 -5.078 10.980 3.844 890 HB3 GLU 116 HB3 GLU 116 -3.777 11.828 4.687 891 HG2 GLU 116 HG2 GLU 116 -6.263 13.308 3.738 892 HG3 GLU 116 HG3 GLU 116 -6.216 12.405 5.256 893 H TYR 117 H TYR 117 -1.793 13.473 2.814 894 HA TYR 117 HA TYR 117 -0.278 11.316 1.433 895 HB2 TYR 117 HB2 TYR 117 0.558 14.048 2.452 896 HB3 TYR 117 HB3 TYR 117 1.602 12.929 1.596 897 HD1 TYR 117 HD1 TYR 117 -1.553 12.566 -0.032 898 HD2 TYR 117 HD2 TYR 117 1.773 15.259 0.418 899 HE1 TYR 117 HE1 TYR 117 -2.223 13.690 -2.110 900 HE2 TYR 117 HE2 TYR 117 1.075 16.414 -1.697 901 HH TYR 117 HH TYR 117 -1.793 16.311 -3.017 902 H TYR 118 H TYR 118 0.826 9.748 2.451 903 HA TYR 118 HA TYR 118 1.457 10.154 5.344 904 HB2 TYR 118 HB2 TYR 118 0.720 7.599 3.897 905 HB3 TYR 118 HB3 TYR 118 1.287 7.696 5.560 906 HD1 TYR 118 HD1 TYR 118 -1.449 8.548 3.246 907 HD2 TYR 118 HD2 TYR 118 -0.131 8.601 7.351 908 HE1 TYR 118 HE1 TYR 118 -3.702 9.165 3.954 909 HE2 TYR 118 HE2 TYR 118 -2.439 9.138 8.092 910 HH TYR 118 HH TYR 118 -4.633 9.622 7.400 911 H ARG 119 H ARG 119 3.556 10.101 5.845 912 HA ARG 119 HA ARG 119 5.558 9.476 3.819 913 HB2 ARG 119 HB2 ARG 119 5.908 11.220 5.540 914 HB3 ARG 119 HB3 ARG 119 5.925 9.990 6.819 915 HG2 ARG 119 HG2 ARG 119 7.705 9.681 4.411 916 HG3 ARG 119 HG3 ARG 119 8.156 10.925 5.585 917 HD2 ARG 119 HD2 ARG 119 7.835 7.962 6.246 918 HD3 ARG 119 HD3 ARG 119 9.341 8.797 5.925 919 HE ARG 119 HE ARG 119 7.549 9.209 8.299 920 HH11 ARG 119 HH11 ARG 119 10.882 9.566 6.907 921 HH12 ARG 119 HH12 ARG 119 11.454 10.149 8.442 922 HH21 ARG 119 HH21 ARG 119 8.509 9.922 10.214 923 HH22 ARG 119 HH22 ARG 119 10.200 10.365 10.231 924 H ALA 120 H ALA 120 6.514 7.565 3.495 925 HA ALA 120 HA ALA 120 5.962 5.313 5.369 926 HB1 ALA 120 HB1 ALA 120 6.016 5.135 2.362 927 HB2 ALA 120 HB2 ALA 120 5.465 3.900 3.517 928 HB3 ALA 120 HB3 ALA 120 4.526 5.400 3.267 929 H VAL 121 H VAL 121 7.592 3.567 5.207 930 HA VAL 121 HA VAL 121 10.266 4.414 4.110 931 HB VAL 121 HB VAL 121 9.859 2.458 6.399 932 HG11 VAL 121 HG11 VAL 121 12.171 3.116 7.001 933 HG12 VAL 121 HG12 VAL 121 12.098 2.502 5.358 934 HG13 VAL 121 HG13 VAL 121 12.207 4.245 5.620 935 HG21 VAL 121 HG21 VAL 121 10.163 3.914 8.061 936 HG22 VAL 121 HG22 VAL 121 10.482 5.329 6.997 937 HG23 VAL 121 HG23 VAL 121 8.856 4.621 7.094 938 H LEU 122 H LEU 122 11.470 2.829 3.017 939 HA LEU 122 HA LEU 122 10.127 0.570 1.876 940 HB2 LEU 122 HB2 LEU 122 12.033 1.808 0.819 941 HB3 LEU 122 HB3 LEU 122 13.092 1.274 2.129 942 HG LEU 122 HG LEU 122 12.705 -1.088 1.473 943 HD11 LEU 122 HD11 LEU 122 11.177 0.121 -0.855 944 HD12 LEU 122 HD12 LEU 122 10.518 -0.988 0.370 945 HD13 LEU 122 HD13 LEU 122 11.715 -1.560 -0.788 946 HD21 LEU 122 HD21 LEU 122 13.635 0.839 -0.693 947 HD22 LEU 122 HD22 LEU 122 13.969 -0.883 -0.756 948 HD23 LEU 122 HD23 LEU 122 14.654 0.111 0.535 949 H ILE 123 H ILE 123 9.817 -1.428 2.881 950 HA ILE 123 HA ILE 123 10.672 -1.497 5.685 951 HB ILE 123 HB ILE 123 8.942 -3.287 3.885 952 HG12 ILE 123 HG12 ILE 123 8.007 -1.965 6.405 953 HG13 ILE 123 HG13 ILE 123 8.235 -0.945 4.986 954 HG21 ILE 123 HG21 ILE 123 9.840 -4.871 5.441 955 HG22 ILE 123 HG22 ILE 123 9.684 -3.744 6.804 956 HG23 ILE 123 HG23 ILE 123 8.249 -4.460 6.038 957 HD11 ILE 123 HD11 ILE 123 5.883 -1.884 5.249 958 HD12 ILE 123 HD12 ILE 123 6.669 -2.136 3.694 959 HD13 ILE 123 HD13 ILE 123 6.562 -3.474 4.860 960 H LYS 124 H LYS 124 10.930 -3.425 2.700 961 HA LYS 124 HA LYS 124 12.504 -5.541 3.500 962 HB2 LYS 124 HB2 LYS 124 12.516 -6.064 1.292 963 HB3 LYS 124 HB3 LYS 124 11.140 -5.041 1.390 964 HG2 LYS 124 HG2 LYS 124 12.086 -4.137 -0.480 965 HG3 LYS 124 HG3 LYS 124 12.885 -3.139 0.739 966 HD2 LYS 124 HD2 LYS 124 14.771 -5.022 0.635 967 HD3 LYS 124 HD3 LYS 124 13.964 -5.471 -0.860 968 HE2 LYS 124 HE2 LYS 124 14.062 -2.890 -1.345 969 HE3 LYS 124 HE3 LYS 124 15.320 -2.874 -0.092 970 HZ1 LYS 124 HZ1 LYS 124 15.247 -4.376 -2.633 971 HZ2 LYS 124 HZ2 LYS 124 16.406 -4.663 -1.458 972 HZ3 LYS 124 HZ3 LYS 124 16.353 -3.208 -2.232 973 H ASN 125 H ASN 125 13.537 -2.296 3.167 974 HA ASN 125 HA ASN 125 16.344 -2.636 2.695 975 HB2 ASN 125 HB2 ASN 125 14.792 -0.520 2.549 976 HB3 ASN 125 HB3 ASN 125 15.022 -0.417 4.293 977 HD21 ASN 125 HD21 ASN 125 16.192 1.502 4.271 978 HD22 ASN 125 HD22 ASN 125 17.531 1.791 3.170 979 H GLU 126 H GLU 126 14.283 -3.030 5.519 980 HA GLU 126 HA GLU 126 16.589 -3.400 7.303 981 HB2 GLU 126 HB2 GLU 126 15.144 -2.673 9.126 982 HB3 GLU 126 HB3 GLU 126 15.423 -1.377 7.962 983 HG2 GLU 126 HG2 GLU 126 13.177 -1.656 7.059 984 HG3 GLU 126 HG3 GLU 126 12.880 -3.033 8.151 985 H LYS 127 H LYS 127 15.787 -5.034 9.150 986 HA LYS 127 HA LYS 127 13.873 -6.985 8.124 987 HB2 LYS 127 HB2 LYS 127 15.367 -8.796 8.026 988 HB3 LYS 127 HB3 LYS 127 16.006 -7.464 7.049 989 HG2 LYS 127 HG2 LYS 127 17.751 -6.995 8.641 990 HG3 LYS 127 HG3 LYS 127 17.028 -8.069 9.840 991 HD2 LYS 127 HD2 LYS 127 18.653 -9.432 9.062 992 HD3 LYS 127 HD3 LYS 127 17.346 -9.958 8.029 993 HE2 LYS 127 HE2 LYS 127 19.538 -7.972 7.264 994 HE3 LYS 127 HE3 LYS 127 19.537 -9.690 6.868 995 HZ1 LYS 127 HZ1 LYS 127 17.446 -9.233 5.591 996 HZ2 LYS 127 HZ2 LYS 127 18.836 -8.494 5.027 997 HZ3 LYS 127 HZ3 LYS 127 17.718 -7.630 5.806 998 H GLU 128 H GLU 128 14.184 -5.141 10.508 999 HA GLU 128 HA GLU 128 13.575 -7.066 12.613 1000 HB2 GLU 128 HB2 GLU 128 16.041 -6.277 12.736 1001 HB3 GLU 128 HB3 GLU 128 15.410 -4.645 12.958 1002 HG2 GLU 128 HG2 GLU 128 16.053 -5.569 15.078 1003 HG3 GLU 128 HG3 GLU 128 14.315 -5.312 15.042 Start of MODEL 12 1 H1 GLY 1 H GLY 1 32.637 -28.562 -28.666 2 HA2 GLY 1 HA2 GLY 1 30.677 -27.635 -27.517 3 HA3 GLY 1 HA3 GLY 1 30.841 -28.950 -26.325 4 H SER 2 H SER 2 30.961 -26.024 -25.726 5 HA SER 2 HA SER 2 33.531 -25.961 -24.363 6 HB2 SER 2 HB2 SER 2 32.555 -23.694 -26.164 7 HB3 SER 2 HB3 SER 2 34.072 -23.752 -25.252 8 HG SER 2 HG SER 2 34.780 -25.398 -26.623 9 H THR 3 H THR 3 33.375 -23.844 -22.832 10 HA THR 3 HA THR 3 30.742 -22.905 -22.271 11 HB THR 3 HB THR 3 30.739 -25.215 -21.246 12 HG1 THR 3 HG1 THR 3 29.370 -24.127 -20.157 13 HG21 THR 3 HG21 THR 3 32.819 -24.098 -19.320 14 HG22 THR 3 HG22 THR 3 33.124 -25.355 -20.540 15 HG23 THR 3 HG23 THR 3 31.991 -25.660 -19.212 16 H MET 4 H MET 4 31.037 -21.546 -20.083 17 HA MET 4 HA MET 4 33.692 -20.424 -19.658 18 HB2 MET 4 HB2 MET 4 31.346 -18.805 -20.786 19 HB3 MET 4 HB3 MET 4 32.750 -18.090 -19.988 20 HG2 MET 4 HG2 MET 4 34.237 -19.106 -21.700 21 HG3 MET 4 HG3 MET 4 32.811 -19.711 -22.553 22 HE1 MET 4 HE1 MET 4 34.221 -16.796 -24.826 23 HE2 MET 4 HE2 MET 4 35.191 -17.848 -23.770 24 HE3 MET 4 HE3 MET 4 33.860 -18.537 -24.734 25 H HIS 5 H HIS 5 33.529 -18.980 -17.666 26 HA HIS 5 HA HIS 5 31.506 -20.084 -15.835 27 HB2 HIS 5 HB2 HIS 5 33.856 -19.885 -15.091 28 HB3 HIS 5 HB3 HIS 5 33.809 -18.138 -15.377 29 HD1 HIS 5 HD1 HIS 5 32.903 -16.697 -13.369 30 HD2 HIS 5 HD2 HIS 5 31.986 -20.806 -13.146 31 HE1 HIS 5 HE1 HIS 5 31.793 -17.082 -11.097 32 H PHE 6 H PHE 6 29.657 -18.963 -15.208 33 HA PHE 6 HA PHE 6 29.490 -16.068 -15.615 34 HB2 PHE 6 HB2 PHE 6 27.279 -16.355 -16.698 35 HB3 PHE 6 HB3 PHE 6 28.619 -16.888 -17.700 36 HD1 PHE 6 HD1 PHE 6 25.812 -18.039 -15.562 37 HD2 PHE 6 HD2 PHE 6 28.759 -19.198 -18.465 38 HE1 PHE 6 HE1 PHE 6 24.664 -20.220 -15.837 39 HE2 PHE 6 HE2 PHE 6 27.625 -21.388 -18.737 40 HZ PHE 6 HZ PHE 6 25.557 -21.896 -17.431 41 H THR 7 H THR 7 27.643 -15.178 -14.383 42 HA THR 7 HA THR 7 26.533 -16.938 -12.282 43 HB THR 7 HB THR 7 27.123 -15.117 -10.620 44 HG1 THR 7 HG1 THR 7 28.824 -14.321 -12.749 45 HG21 THR 7 HG21 THR 7 29.411 -15.836 -10.230 46 HG22 THR 7 HG22 THR 7 29.544 -16.463 -11.891 47 HG23 THR 7 HG23 THR 7 28.440 -17.226 -10.735 48 H ASP 8 H ASP 8 24.806 -15.683 -11.032 49 HA ASP 8 HA ASP 8 23.511 -13.516 -12.499 50 HB2 ASP 8 HB2 ASP 8 22.623 -15.600 -13.510 51 HB3 ASP 8 HB3 ASP 8 22.196 -16.202 -11.903 52 H ASP 9 H ASP 9 21.601 -12.806 -11.036 53 HA ASP 9 HA ASP 9 22.151 -13.219 -8.130 54 HB2 ASP 9 HB2 ASP 9 22.458 -10.753 -9.802 55 HB3 ASP 9 HB3 ASP 9 21.471 -10.519 -8.374 56 H ASN 10 H ASN 10 20.313 -11.925 -6.913 57 HA ASN 10 HA ASN 10 17.768 -11.785 -8.247 58 HB2 ASN 10 HB2 ASN 10 17.926 -14.299 -7.536 59 HB3 ASN 10 HB3 ASN 10 17.850 -13.689 -5.883 60 HD21 ASN 10 HD21 ASN 10 15.624 -13.049 -5.172 61 HD22 ASN 10 HD22 ASN 10 14.373 -13.256 -6.385 62 H GLU 11 H GLU 11 16.199 -10.714 -6.758 63 HA GLU 11 HA GLU 11 17.587 -9.078 -4.765 64 HB2 GLU 11 HB2 GLU 11 15.154 -8.870 -6.494 65 HB3 GLU 11 HB3 GLU 11 15.011 -8.084 -4.942 66 HG2 GLU 11 HG2 GLU 11 17.307 -7.606 -6.895 67 HG3 GLU 11 HG3 GLU 11 15.885 -6.569 -6.707 68 H ASN 12 H ASN 12 15.797 -8.366 -3.031 69 HA ASN 12 HA ASN 12 14.643 -10.667 -1.598 70 HB2 ASN 12 HB2 ASN 12 16.661 -8.712 -0.381 71 HB3 ASN 12 HB3 ASN 12 15.638 -9.837 0.525 72 HD21 ASN 12 HD21 ASN 12 18.414 -9.583 -1.658 73 HD22 ASN 12 HD22 ASN 12 18.887 -11.257 -1.598 74 H ASP 13 H ASP 13 12.747 -9.772 -2.352 75 HA ASP 13 HA ASP 13 11.958 -7.147 -1.234 76 HB2 ASP 13 HB2 ASP 13 11.087 -6.411 -3.202 77 HB3 ASP 13 HB3 ASP 13 12.500 -7.281 -3.806 78 H THR 14 H THR 14 9.306 -7.081 -1.856 79 HA THR 14 HA THR 14 8.256 -9.147 -0.069 80 HB THR 14 HB THR 14 7.652 -6.743 0.087 81 HG1 THR 14 HG1 THR 14 5.707 -8.750 -0.245 82 HG21 THR 14 HG21 THR 14 7.319 -6.073 -2.289 83 HG22 THR 14 HG22 THR 14 5.846 -5.794 -1.341 84 HG23 THR 14 HG23 THR 14 5.927 -7.162 -2.404 85 H SER 15 H SER 15 8.016 -8.260 -3.504 86 HA SER 15 HA SER 15 6.976 -9.101 -5.264 87 HB2 SER 15 HB2 SER 15 7.305 -11.522 -5.657 88 HB3 SER 15 HB3 SER 15 8.759 -10.663 -5.137 89 HG SER 15 HG SER 15 7.607 -11.477 -2.946 90 H GLU 16 H GLU 16 5.086 -8.084 -3.935 91 HA GLU 16 HA GLU 16 2.846 -9.914 -4.106 92 HB2 GLU 16 HB2 GLU 16 2.087 -9.834 -1.999 93 HB3 GLU 16 HB3 GLU 16 3.830 -9.848 -1.669 94 HG2 GLU 16 HG2 GLU 16 3.782 -7.460 -1.165 95 HG3 GLU 16 HG3 GLU 16 2.040 -7.447 -1.415 96 H THR 17 H THR 17 0.739 -8.326 -3.571 97 HA THR 17 HA THR 17 1.350 -5.751 -4.890 98 HB THR 17 HB THR 17 0.525 -7.638 -6.440 99 HG1 THR 17 HG1 THR 17 -0.118 -6.152 -7.711 100 HG21 THR 17 HG21 THR 17 -1.435 -8.279 -4.986 101 HG22 THR 17 HG22 THR 17 -1.840 -7.912 -6.682 102 HG23 THR 17 HG23 THR 17 -2.182 -6.730 -5.411 103 H MET 18 H MET 18 -0.587 -4.327 -4.858 104 HA MET 18 HA MET 18 -1.002 -3.634 -2.234 105 HB2 MET 18 HB2 MET 18 -2.472 -2.945 -4.812 106 HB3 MET 18 HB3 MET 18 -3.012 -2.246 -3.287 107 HG2 MET 18 HG2 MET 18 -0.088 -2.030 -3.906 108 HG3 MET 18 HG3 MET 18 -1.204 -1.057 -4.859 109 HE1 MET 18 HE1 MET 18 -1.403 -0.680 -0.236 110 HE2 MET 18 HE2 MET 18 -2.343 -1.855 -1.160 111 HE3 MET 18 HE3 MET 18 -0.575 -2.021 -1.038 112 H GLU 19 H GLU 19 -3.200 -5.536 -4.334 113 HA GLU 19 HA GLU 19 -5.412 -5.603 -2.529 114 HB2 GLU 19 HB2 GLU 19 -4.447 -7.512 -4.676 115 HB3 GLU 19 HB3 GLU 19 -5.947 -7.762 -3.774 116 HG2 GLU 19 HG2 GLU 19 -6.963 -5.793 -4.620 117 HG3 GLU 19 HG3 GLU 19 -5.415 -5.152 -5.213 118 H SER 20 H SER 20 -2.571 -7.806 -2.891 119 HA SER 20 HA SER 20 -3.442 -9.774 -1.084 120 HB2 SER 20 HB2 SER 20 -0.563 -8.920 -1.608 121 HB3 SER 20 HB3 SER 20 -1.150 -10.517 -1.102 122 HG SER 20 HG SER 20 -2.504 -10.297 -3.141 123 H LEU 21 H LEU 21 -1.972 -6.608 -0.552 124 HA LEU 21 HA LEU 21 -1.289 -7.031 2.212 125 HB2 LEU 21 HB2 LEU 21 -2.134 -4.398 0.867 126 HB3 LEU 21 HB3 LEU 21 -1.314 -4.574 2.383 127 HG LEU 21 HG LEU 21 -0.283 -4.808 -0.418 128 HD11 LEU 21 HD11 LEU 21 0.785 -3.542 2.141 129 HD12 LEU 21 HD12 LEU 21 -0.255 -2.738 0.965 130 HD13 LEU 21 HD13 LEU 21 1.384 -3.260 0.502 131 HD21 LEU 21 HD21 LEU 21 1.102 -6.021 1.984 132 HD22 LEU 21 HD22 LEU 21 1.855 -5.739 0.403 133 HD23 LEU 21 HD23 LEU 21 0.531 -6.896 0.541 134 H ILE 22 H ILE 22 -4.046 -5.375 0.619 135 HA ILE 22 HA ILE 22 -5.552 -4.904 2.935 136 HB ILE 22 HB ILE 22 -6.569 -5.469 0.103 137 HG12 ILE 22 HG12 ILE 22 -6.125 -2.718 1.338 138 HG13 ILE 22 HG13 ILE 22 -4.872 -3.505 0.393 139 HG21 ILE 22 HG21 ILE 22 -8.339 -5.622 1.758 140 HG22 ILE 22 HG22 ILE 22 -7.796 -4.130 2.548 141 HG23 ILE 22 HG23 ILE 22 -8.535 -4.091 0.917 142 HD11 ILE 22 HD11 ILE 22 -6.332 -3.651 -1.571 143 HD12 ILE 22 HD12 ILE 22 -7.664 -2.883 -0.701 144 HD13 ILE 22 HD13 ILE 22 -6.176 -1.982 -0.997 145 H ASP 23 H ASP 23 -5.663 -7.716 0.719 146 HA ASP 23 HA ASP 23 -7.725 -9.167 1.902 147 HB2 ASP 23 HB2 ASP 23 -6.630 -9.537 -0.322 148 HB3 ASP 23 HB3 ASP 23 -5.259 -10.280 0.515 149 H LYS 24 H LYS 24 -4.621 -8.594 3.277 150 HA LYS 24 HA LYS 24 -5.007 -10.855 5.215 151 HB2 LYS 24 HB2 LYS 24 -2.790 -11.264 5.094 152 HB3 LYS 24 HB3 LYS 24 -2.822 -10.322 3.632 153 HG2 LYS 24 HG2 LYS 24 -1.084 -9.294 4.710 154 HG3 LYS 24 HG3 LYS 24 -2.373 -8.268 5.250 155 HD2 LYS 24 HD2 LYS 24 -2.365 -10.404 7.135 156 HD3 LYS 24 HD3 LYS 24 -0.684 -10.148 6.775 157 HE2 LYS 24 HE2 LYS 24 -0.630 -8.083 7.847 158 HE3 LYS 24 HE3 LYS 24 -2.252 -7.663 7.288 159 HZ1 LYS 24 HZ1 LYS 24 -2.321 -7.907 9.590 160 HZ2 LYS 24 HZ2 LYS 24 -1.618 -9.374 9.598 161 HZ3 LYS 24 HZ3 LYS 24 -3.146 -9.166 8.969 162 H GLY 25 H GLY 25 -5.180 -7.472 4.805 163 HA2 GLY 25 HA2 GLY 25 -6.158 -6.038 6.410 164 HA3 GLY 25 HA3 GLY 25 -5.564 -7.045 7.726 165 H LYS 26 H LYS 26 -3.543 -6.020 4.952 166 HA LYS 26 HA LYS 26 -1.715 -4.642 6.864 167 HB2 LYS 26 HB2 LYS 26 -1.342 -5.878 4.167 168 HB3 LYS 26 HB3 LYS 26 -0.349 -4.478 4.573 169 HG2 LYS 26 HG2 LYS 26 0.292 -5.752 6.692 170 HG3 LYS 26 HG3 LYS 26 -0.398 -7.175 5.912 171 HD2 LYS 26 HD2 LYS 26 1.658 -5.586 4.386 172 HD3 LYS 26 HD3 LYS 26 2.190 -6.541 5.749 173 HE2 LYS 26 HE2 LYS 26 0.444 -8.117 4.020 174 HE3 LYS 26 HE3 LYS 26 1.762 -7.415 3.081 175 HZ1 LYS 26 HZ1 LYS 26 3.341 -8.521 4.320 176 HZ2 LYS 26 HZ2 LYS 26 2.152 -9.602 4.033 177 HZ3 LYS 26 HZ3 LYS 26 2.261 -8.943 5.531 178 H LEU 27 H LEU 27 -3.410 -3.001 7.156 179 HA LEU 27 HA LEU 27 -3.904 -1.118 4.912 180 HB2 LEU 27 HB2 LEU 27 -4.926 -1.063 7.788 181 HB3 LEU 27 HB3 LEU 27 -5.369 0.066 6.527 182 HG LEU 27 HG LEU 27 -7.188 -1.353 6.711 183 HD11 LEU 27 HD11 LEU 27 -5.590 -2.381 4.333 184 HD12 LEU 27 HD12 LEU 27 -6.579 -0.903 4.391 185 HD13 LEU 27 HD13 LEU 27 -7.355 -2.489 4.541 186 HD21 LEU 27 HD21 LEU 27 -5.526 -3.790 6.234 187 HD22 LEU 27 HD22 LEU 27 -7.203 -3.710 6.796 188 HD23 LEU 27 HD23 LEU 27 -5.877 -3.226 7.885 189 H ASP 28 H ASP 28 -1.423 -1.495 6.975 190 HA ASP 28 HA ASP 28 -0.930 1.449 7.356 191 HB2 ASP 28 HB2 ASP 28 0.602 -0.681 8.818 192 HB3 ASP 28 HB3 ASP 28 0.353 1.010 9.233 193 H GLN 29 H GLN 29 -0.280 -0.675 5.058 194 HA GLN 29 HA GLN 29 2.261 0.601 4.375 195 HB2 GLN 29 HB2 GLN 29 3.395 -1.614 3.944 196 HB3 GLN 29 HB3 GLN 29 3.179 -1.121 5.613 197 HG2 GLN 29 HG2 GLN 29 0.971 -2.678 5.369 198 HG3 GLN 29 HG3 GLN 29 2.033 -3.428 4.169 199 HE21 GLN 29 HE21 GLN 29 4.539 -3.256 5.384 200 HE22 GLN 29 HE22 GLN 29 4.501 -3.957 6.987 201 H VAL 30 H VAL 30 2.866 0.157 2.113 202 HA VAL 30 HA VAL 30 0.649 -0.878 0.435 203 HB VAL 30 HB VAL 30 0.614 1.051 -0.983 204 HG11 VAL 30 HG11 VAL 30 0.423 2.195 1.821 205 HG12 VAL 30 HG12 VAL 30 -0.484 2.655 0.358 206 HG13 VAL 30 HG13 VAL 30 -0.772 1.095 1.145 207 HG21 VAL 30 HG21 VAL 30 2.970 1.760 -0.823 208 HG22 VAL 30 HG22 VAL 30 1.822 3.059 -0.578 209 HG23 VAL 30 HG23 VAL 30 2.669 2.353 0.831 210 H VAL 31 H VAL 31 1.304 -0.975 -2.028 211 HA VAL 31 HA VAL 31 4.118 -1.565 -2.210 212 HB VAL 31 HB VAL 31 2.186 -3.001 -3.982 213 HG11 VAL 31 HG11 VAL 31 4.667 -4.063 -2.779 214 HG12 VAL 31 HG12 VAL 31 3.633 -4.739 -4.033 215 HG13 VAL 31 HG13 VAL 31 4.517 -3.246 -4.391 216 HG21 VAL 31 HG21 VAL 31 2.864 -3.933 -1.181 217 HG22 VAL 31 HG22 VAL 31 1.221 -3.562 -1.779 218 HG23 VAL 31 HG23 VAL 31 2.116 -4.964 -2.395 219 H TYR 32 H TYR 32 5.119 -0.750 -4.024 220 HA TYR 32 HA TYR 32 3.697 0.266 -6.378 221 HB2 TYR 32 HB2 TYR 32 3.538 2.348 -5.248 222 HB3 TYR 32 HB3 TYR 32 5.056 2.081 -4.421 223 HD1 TYR 32 HD1 TYR 32 4.163 2.121 -8.127 224 HD2 TYR 32 HD2 TYR 32 6.604 3.804 -5.005 225 HE1 TYR 32 HE1 TYR 32 5.381 3.477 -9.764 226 HE2 TYR 32 HE2 TYR 32 7.950 5.005 -6.649 227 HH TYR 32 HH TYR 32 7.016 5.130 -10.095 228 H ASP 33 H ASP 33 5.017 -0.062 -8.056 229 HA ASP 33 HA ASP 33 6.698 -0.839 -9.297 230 HB2 ASP 33 HB2 ASP 33 7.571 1.411 -8.601 231 HB3 ASP 33 HB3 ASP 33 8.561 0.612 -7.393 232 H ASP 34 H ASP 34 5.768 -2.568 -7.279 233 HA ASP 34 HA ASP 34 6.220 -4.656 -6.448 234 HB2 ASP 34 HB2 ASP 34 7.688 -4.536 -8.717 235 HB3 ASP 34 HB3 ASP 34 9.014 -4.617 -7.556 236 H GLN 35 H GLN 35 6.863 -2.227 -4.925 237 HA GLN 35 HA GLN 35 9.023 -3.304 -3.152 238 HB2 GLN 35 HB2 GLN 35 8.384 -0.377 -3.427 239 HB3 GLN 35 HB3 GLN 35 9.743 -1.125 -2.611 240 HG2 GLN 35 HG2 GLN 35 9.269 -0.927 -5.616 241 HG3 GLN 35 HG3 GLN 35 10.345 -0.039 -4.625 242 HE21 GLN 35 HE21 GLN 35 10.874 -3.058 -3.411 243 HE22 GLN 35 HE22 GLN 35 12.194 -3.420 -4.534 244 H LEU 36 H LEU 36 8.743 -2.692 -0.970 245 HA LEU 36 HA LEU 36 5.849 -2.302 -0.254 246 HB2 LEU 36 HB2 LEU 36 6.930 -4.609 0.121 247 HB3 LEU 36 HB3 LEU 36 7.830 -3.866 1.420 248 HG LEU 36 HG LEU 36 5.648 -3.247 2.522 249 HD11 LEU 36 HD11 LEU 36 3.577 -4.369 1.810 250 HD12 LEU 36 HD12 LEU 36 4.382 -4.981 0.360 251 HD13 LEU 36 HD13 LEU 36 4.123 -3.239 0.570 252 HD21 LEU 36 HD21 LEU 36 6.907 -5.376 3.024 253 HD22 LEU 36 HD22 LEU 36 5.948 -6.179 1.772 254 HD23 LEU 36 HD23 LEU 36 5.148 -5.568 3.220 255 H TYR 37 H TYR 37 5.410 -0.533 0.831 256 HA TYR 37 HA TYR 37 7.587 0.733 2.375 257 HB2 TYR 37 HB2 TYR 37 5.277 2.277 1.262 258 HB3 TYR 37 HB3 TYR 37 6.852 2.841 1.823 259 HD1 TYR 37 HD1 TYR 37 8.827 1.331 0.353 260 HD2 TYR 37 HD2 TYR 37 5.070 3.023 -0.895 261 HE1 TYR 37 HE1 TYR 37 9.707 1.620 -1.987 262 HE2 TYR 37 HE2 TYR 37 5.969 3.393 -3.110 263 HH TYR 37 HH TYR 37 9.417 2.571 -3.982 264 H HIS 38 H HIS 38 7.231 1.134 4.497 265 HA HIS 38 HA HIS 38 4.634 0.467 5.714 266 HB2 HIS 38 HB2 HIS 38 7.422 0.310 6.442 267 HB3 HIS 38 HB3 HIS 38 6.726 1.408 7.551 268 HD1 HIS 38 HD1 HIS 38 7.691 -1.441 8.414 269 HD2 HIS 38 HD2 HIS 38 3.711 -0.277 7.580 270 HE1 HIS 38 HE1 HIS 38 6.153 -3.175 9.555 271 H LEU 39 H LEU 39 3.233 2.054 6.411 272 HA LEU 39 HA LEU 39 3.982 4.862 5.972 273 HB2 LEU 39 HB2 LEU 39 1.459 3.707 7.222 274 HB3 LEU 39 HB3 LEU 39 1.681 5.328 6.575 275 HG LEU 39 HG LEU 39 1.603 2.700 5.039 276 HD11 LEU 39 HD11 LEU 39 -0.218 5.159 5.025 277 HD12 LEU 39 HD12 LEU 39 -0.586 3.585 5.756 278 HD13 LEU 39 HD13 LEU 39 -0.418 3.717 3.998 279 HD21 LEU 39 HD21 LEU 39 2.128 5.494 3.936 280 HD22 LEU 39 HD22 LEU 39 1.758 4.043 2.971 281 HD23 LEU 39 HD23 LEU 39 3.236 4.101 3.915 282 H LYS 40 H LYS 40 4.746 6.202 7.562 283 HA LYS 40 HA LYS 40 4.817 5.142 10.376 284 HB2 LYS 40 HB2 LYS 40 6.553 7.378 9.248 285 HB3 LYS 40 HB3 LYS 40 6.739 6.530 10.772 286 HG2 LYS 40 HG2 LYS 40 7.218 5.504 7.973 287 HG3 LYS 40 HG3 LYS 40 8.422 5.765 9.222 288 HD2 LYS 40 HD2 LYS 40 6.290 3.723 9.843 289 HD3 LYS 40 HD3 LYS 40 7.385 3.384 8.547 290 HE2 LYS 40 HE2 LYS 40 8.135 2.374 10.623 291 HE3 LYS 40 HE3 LYS 40 9.318 3.491 9.960 292 HZ1 LYS 40 HZ1 LYS 40 7.461 4.189 12.156 293 HZ2 LYS 40 HZ2 LYS 40 8.788 5.057 11.634 294 HZ3 LYS 40 HZ3 LYS 40 8.982 3.612 12.355 295 H GLU 41 H GLU 41 4.572 8.254 8.679 296 HA GLU 41 HA GLU 41 2.305 8.947 10.471 297 HB2 GLU 41 HB2 GLU 41 3.288 10.910 11.449 298 HB3 GLU 41 HB3 GLU 41 4.326 9.529 11.754 299 HG2 GLU 41 HG2 GLU 41 5.550 10.407 9.543 300 HG3 GLU 41 HG3 GLU 41 4.843 11.933 10.026 301 H LYS 42 H LYS 42 1.439 11.159 10.042 302 HA LYS 42 HA LYS 42 1.044 11.398 7.138 303 HB2 LYS 42 HB2 LYS 42 -0.738 11.413 9.087 304 HB3 LYS 42 HB3 LYS 42 -0.381 13.135 9.174 305 HG2 LYS 42 HG2 LYS 42 -1.195 11.725 6.604 306 HG3 LYS 42 HG3 LYS 42 -2.360 12.318 7.761 307 HD2 LYS 42 HD2 LYS 42 -0.463 14.451 7.155 308 HD3 LYS 42 HD3 LYS 42 -1.144 13.760 5.656 309 HE2 LYS 42 HE2 LYS 42 -3.391 14.063 6.581 310 HE3 LYS 42 HE3 LYS 42 -2.687 14.783 8.040 311 HZ1 LYS 42 HZ1 LYS 42 -3.475 16.429 6.485 312 HZ2 LYS 42 HZ2 LYS 42 -2.505 15.869 5.298 313 HZ3 LYS 42 HZ3 LYS 42 -1.841 16.583 6.618 314 H VAL 43 H VAL 43 1.427 13.281 5.949 315 HA VAL 43 HA VAL 43 2.919 15.530 7.172 316 HB VAL 43 HB VAL 43 4.566 15.540 5.421 317 HG11 VAL 43 HG11 VAL 43 4.474 12.740 6.597 318 HG12 VAL 43 HG12 VAL 43 5.893 13.558 5.909 319 HG13 VAL 43 HG13 VAL 43 5.146 14.193 7.377 320 HG21 VAL 43 HG21 VAL 43 3.273 13.033 4.288 321 HG22 VAL 43 HG22 VAL 43 3.323 14.650 3.533 322 HG23 VAL 43 HG23 VAL 43 4.816 13.760 3.771 323 H ASP 44 H ASP 44 3.098 17.330 5.305 324 HA ASP 44 HA ASP 44 0.373 17.528 4.138 325 HB2 ASP 44 HB2 ASP 44 1.324 19.270 5.821 326 HB3 ASP 44 HB3 ASP 44 2.290 19.839 4.464 327 H GLU 45 H GLU 45 0.312 18.906 2.085 328 HA GLU 45 HA GLU 45 1.923 17.623 0.031 329 HB2 GLU 45 HB2 GLU 45 0.685 19.195 -1.493 330 HB3 GLU 45 HB3 GLU 45 -0.347 18.121 -0.579 331 HG2 GLU 45 HG2 GLU 45 -0.874 19.913 1.024 332 HG3 GLU 45 HG3 GLU 45 0.202 21.030 0.180 333 H ASP 46 H ASP 46 2.194 20.379 2.035 334 HA ASP 46 HA ASP 46 3.871 22.004 0.288 335 HB2 ASP 46 HB2 ASP 46 2.386 22.326 2.752 336 HB3 ASP 46 HB3 ASP 46 4.059 22.712 3.082 337 H LYS 47 H LYS 47 4.307 19.122 1.941 338 HA LYS 47 HA LYS 47 7.120 19.675 2.649 339 HB2 LYS 47 HB2 LYS 47 5.664 17.080 3.181 340 HB3 LYS 47 HB3 LYS 47 7.056 17.763 4.019 341 HG2 LYS 47 HG2 LYS 47 4.174 18.667 4.215 342 HG3 LYS 47 HG3 LYS 47 5.091 17.813 5.412 343 HD2 LYS 47 HD2 LYS 47 6.721 19.917 5.242 344 HD3 LYS 47 HD3 LYS 47 5.293 20.684 4.513 345 HE2 LYS 47 HE2 LYS 47 5.549 21.151 6.918 346 HE3 LYS 47 HE3 LYS 47 4.003 20.389 6.527 347 HZ1 LYS 47 HZ1 LYS 47 6.260 18.698 7.395 348 HZ2 LYS 47 HZ2 LYS 47 4.626 18.465 7.580 349 HZ3 LYS 47 HZ3 LYS 47 5.407 19.535 8.510 350 H LYS 48 H LYS 48 5.188 17.912 0.241 351 HA LYS 48 HA LYS 48 6.970 15.941 -0.400 352 HB2 LYS 48 HB2 LYS 48 5.912 15.699 -2.481 353 HB3 LYS 48 HB3 LYS 48 4.688 16.148 -1.284 354 HG2 LYS 48 HG2 LYS 48 4.946 18.528 -2.090 355 HG3 LYS 48 HG3 LYS 48 6.072 17.959 -3.306 356 HD2 LYS 48 HD2 LYS 48 4.175 18.264 -4.387 357 HD3 LYS 48 HD3 LYS 48 4.228 16.532 -4.253 358 HE2 LYS 48 HE2 LYS 48 2.554 18.349 -2.461 359 HE3 LYS 48 HE3 LYS 48 1.958 17.697 -3.981 360 HZ1 LYS 48 HZ1 LYS 48 1.246 16.293 -2.217 361 HZ2 LYS 48 HZ2 LYS 48 2.784 16.073 -1.663 362 HZ3 LYS 48 HZ3 LYS 48 2.338 15.463 -3.119 363 H GLY 49 H GLY 49 8.507 15.580 -1.987 364 HA2 GLY 49 HA2 GLY 49 10.297 17.910 -2.485 365 HA3 GLY 49 HA3 GLY 49 10.736 16.206 -2.531 366 H LYS 50 H LYS 50 8.845 15.064 -4.185 367 HA LYS 50 HA LYS 50 8.309 16.465 -6.641 368 HB2 LYS 50 HB2 LYS 50 9.942 15.075 -7.988 369 HB3 LYS 50 HB3 LYS 50 10.698 16.326 -6.997 370 HG2 LYS 50 HG2 LYS 50 11.139 14.514 -5.222 371 HG3 LYS 50 HG3 LYS 50 10.610 13.331 -6.414 372 HD2 LYS 50 HD2 LYS 50 12.921 15.282 -6.817 373 HD3 LYS 50 HD3 LYS 50 13.062 13.687 -6.074 374 HE2 LYS 50 HE2 LYS 50 11.900 12.779 -8.199 375 HE3 LYS 50 HE3 LYS 50 12.339 14.327 -8.943 376 HZ1 LYS 50 HZ1 LYS 50 14.655 13.795 -8.572 377 HZ2 LYS 50 HZ2 LYS 50 13.928 12.453 -9.208 378 HZ3 LYS 50 HZ3 LYS 50 14.274 12.532 -7.600 379 H VAL 51 H VAL 51 7.139 15.013 -8.124 380 HA VAL 51 HA VAL 51 5.886 12.705 -6.781 381 HB VAL 51 HB VAL 51 5.528 14.191 -9.396 382 HG11 VAL 51 HG11 VAL 51 4.200 11.520 -8.778 383 HG12 VAL 51 HG12 VAL 51 3.758 12.629 -10.097 384 HG13 VAL 51 HG13 VAL 51 5.332 11.851 -10.115 385 HG21 VAL 51 HG21 VAL 51 3.228 14.440 -8.623 386 HG22 VAL 51 HG22 VAL 51 3.557 13.379 -7.247 387 HG23 VAL 51 HG23 VAL 51 4.348 14.981 -7.364 388 H ILE 52 H ILE 52 6.188 10.569 -7.440 389 HA ILE 52 HA ILE 52 8.413 10.014 -9.349 390 HB ILE 52 HB ILE 52 9.288 8.286 -7.839 391 HG12 ILE 52 HG12 ILE 52 7.744 9.597 -5.571 392 HG13 ILE 52 HG13 ILE 52 7.198 8.123 -6.372 393 HG21 ILE 52 HG21 ILE 52 10.308 10.534 -8.105 394 HG22 ILE 52 HG22 ILE 52 9.446 11.076 -6.646 395 HG23 ILE 52 HG23 ILE 52 10.651 9.761 -6.570 396 HD11 ILE 52 HD11 ILE 52 8.371 7.521 -4.371 397 HD12 ILE 52 HD12 ILE 52 9.312 6.981 -5.772 398 HD13 ILE 52 HD13 ILE 52 9.818 8.416 -4.858 399 H GLY 53 H GLY 53 5.347 9.017 -7.887 400 HA2 GLY 53 HA2 GLY 53 4.801 7.315 -10.152 401 HA3 GLY 53 HA3 GLY 53 5.100 6.395 -8.655 402 H ALA 54 H ALA 54 2.601 6.037 -9.427 403 HA ALA 54 HA ALA 54 1.061 7.607 -7.558 404 HB1 ALA 54 HB1 ALA 54 0.228 7.327 -10.486 405 HB2 ALA 54 HB2 ALA 54 -0.707 8.141 -9.211 406 HB3 ALA 54 HB3 ALA 54 0.837 8.824 -9.775 407 H ILE 55 H ILE 55 -0.062 6.106 -6.292 408 HA ILE 55 HA ILE 55 -0.308 3.407 -7.304 409 HB ILE 55 HB ILE 55 -1.365 4.775 -4.804 410 HG12 ILE 55 HG12 ILE 55 0.964 2.862 -5.264 411 HG13 ILE 55 HG13 ILE 55 1.075 4.575 -4.872 412 HG21 ILE 55 HG21 ILE 55 -1.421 1.829 -5.519 413 HG22 ILE 55 HG22 ILE 55 -1.909 2.578 -3.983 414 HG23 ILE 55 HG23 ILE 55 -2.825 2.940 -5.424 415 HD11 ILE 55 HD11 ILE 55 1.544 3.414 -2.883 416 HD12 ILE 55 HD12 ILE 55 -0.119 4.021 -2.674 417 HD13 ILE 55 HD13 ILE 55 0.172 2.317 -3.078 418 H GLY 56 H GLY 56 -2.680 5.950 -6.474 419 HA2 GLY 56 HA2 GLY 56 -4.772 6.430 -7.204 420 HA3 GLY 56 HA3 GLY 56 -4.184 5.921 -8.775 421 H GLN 57 H GLN 57 -4.330 3.182 -6.637 422 HA GLN 57 HA GLN 57 -6.494 2.081 -8.181 423 HB2 GLN 57 HB2 GLN 57 -5.112 0.967 -5.695 424 HB3 GLN 57 HB3 GLN 57 -6.095 0.088 -6.868 425 HG2 GLN 57 HG2 GLN 57 -4.283 1.076 -8.581 426 HG3 GLN 57 HG3 GLN 57 -3.265 1.109 -7.141 427 HE21 GLN 57 HE21 GLN 57 -2.136 -0.945 -6.749 428 HE22 GLN 57 HE22 GLN 57 -2.805 -2.456 -7.335 429 H THR 58 H THR 58 -8.303 0.876 -7.009 430 HA THR 58 HA THR 58 -9.280 2.163 -4.608 431 HB THR 58 HB THR 58 -11.248 1.993 -6.860 432 HG1 THR 58 HG1 THR 58 -9.792 3.552 -7.580 433 HG21 THR 58 HG21 THR 58 -11.029 3.450 -4.178 434 HG22 THR 58 HG22 THR 58 -12.115 2.108 -4.578 435 HG23 THR 58 HG23 THR 58 -12.369 3.689 -5.335 436 H PHE 59 H PHE 59 -10.096 0.594 -3.297 437 HA PHE 59 HA PHE 59 -11.197 -1.884 -4.428 438 HB2 PHE 59 HB2 PHE 59 -9.049 -1.714 -2.290 439 HB3 PHE 59 HB3 PHE 59 -9.882 -3.179 -2.742 440 HD1 PHE 59 HD1 PHE 59 -9.798 -3.449 -5.619 441 HD2 PHE 59 HD2 PHE 59 -6.870 -1.654 -3.024 442 HE1 PHE 59 HE1 PHE 59 -8.031 -3.800 -7.319 443 HE2 PHE 59 HE2 PHE 59 -5.187 -1.800 -4.748 444 HZ PHE 59 HZ PHE 59 -5.732 -3.005 -6.921 445 H PHE 60 H PHE 60 -12.222 -3.197 -2.478 446 HA PHE 60 HA PHE 60 -13.162 -1.405 -0.321 447 HB2 PHE 60 HB2 PHE 60 -14.936 -3.263 -1.947 448 HB3 PHE 60 HB3 PHE 60 -15.438 -2.249 -0.617 449 HD1 PHE 60 HD2 PHE 60 -15.552 0.253 -0.908 450 HD2 PHE 60 HD1 PHE 60 -14.702 -2.424 -4.185 451 HE1 PHE 60 HE2 PHE 60 -16.219 2.008 -2.515 452 HE2 PHE 60 HE1 PHE 60 -15.292 -0.674 -5.781 453 HZ PHE 60 HZ PHE 60 -16.041 1.570 -4.974 454 H VAL 61 H VAL 61 -13.965 -2.657 1.682 455 HA VAL 61 HA VAL 61 -13.553 -5.515 1.548 456 HB VAL 61 HB VAL 61 -12.403 -5.565 3.671 457 HG11 VAL 61 HG11 VAL 61 -11.131 -5.777 1.609 458 HG12 VAL 61 HG12 VAL 61 -10.839 -4.019 1.595 459 HG13 VAL 61 HG13 VAL 61 -10.207 -5.046 2.918 460 HG21 VAL 61 HG21 VAL 61 -12.932 -3.491 4.682 461 HG22 VAL 61 HG22 VAL 61 -11.193 -3.545 4.478 462 HG23 VAL 61 HG23 VAL 61 -12.181 -2.561 3.361 463 H ASP 62 H ASP 62 -14.530 -6.536 3.542 464 HA ASP 62 HA ASP 62 -17.054 -5.192 4.289 465 HB2 ASP 62 HB2 ASP 62 -17.987 -7.272 4.397 466 HB3 ASP 62 HB3 ASP 62 -16.794 -7.603 3.143 467 H GLY 63 H GLY 63 -17.692 -6.457 6.589 468 HA2 GLY 63 HA2 GLY 63 -16.355 -4.925 8.557 469 HA3 GLY 63 HA3 GLY 63 -17.478 -6.265 8.814 470 H ASP 64 H ASP 64 -15.782 -8.148 7.229 471 HA ASP 64 HA ASP 64 -14.049 -8.955 9.474 472 HB2 ASP 64 HB2 ASP 64 -15.612 -10.449 8.023 473 HB3 ASP 64 HB3 ASP 64 -14.300 -10.422 6.837 474 H GLY 65 H GLY 65 -13.778 -7.392 6.417 475 HA2 GLY 65 HA2 GLY 65 -11.927 -6.028 5.804 476 HA3 GLY 65 HA3 GLY 65 -10.830 -7.055 6.736 477 H LYS 66 H LYS 66 -13.259 -8.608 4.709 478 HA LYS 66 HA LYS 66 -11.095 -9.787 3.135 479 HB2 LYS 66 HB2 LYS 66 -14.071 -10.282 3.460 480 HB3 LYS 66 HB3 LYS 66 -13.215 -11.009 2.111 481 HG2 LYS 66 HG2 LYS 66 -11.995 -11.395 4.843 482 HG3 LYS 66 HG3 LYS 66 -13.516 -12.214 4.515 483 HD2 LYS 66 HD2 LYS 66 -11.757 -13.745 3.945 484 HD3 LYS 66 HD3 LYS 66 -12.552 -13.220 2.454 485 HE2 LYS 66 HE2 LYS 66 -10.606 -11.402 2.424 486 HE3 LYS 66 HE3 LYS 66 -9.787 -12.534 3.496 487 HZ1 LYS 66 HZ1 LYS 66 -10.828 -13.136 0.777 488 HZ2 LYS 66 HZ2 LYS 66 -9.924 -14.167 1.739 489 HZ3 LYS 66 HZ3 LYS 66 -9.298 -12.769 1.144 490 H ARG 67 H ARG 67 -10.761 -9.513 0.999 491 HA ARG 67 HA ARG 67 -11.517 -7.004 -0.131 492 HB2 ARG 67 HB2 ARG 67 -9.528 -9.018 -0.580 493 HB3 ARG 67 HB3 ARG 67 -10.409 -8.900 -2.094 494 HG2 ARG 67 HG2 ARG 67 -9.289 -6.509 -0.563 495 HG3 ARG 67 HG3 ARG 67 -8.410 -7.349 -1.840 496 HD2 ARG 67 HD2 ARG 67 -11.169 -6.108 -2.295 497 HD3 ARG 67 HD3 ARG 67 -9.636 -5.251 -2.520 498 HE ARG 67 HE ARG 67 -9.227 -7.510 -3.938 499 HH11 ARG 67 HH11 ARG 67 -12.340 -6.052 -4.397 500 HH12 ARG 67 HH12 ARG 67 -11.976 -5.324 -5.931 501 HH21 ARG 67 HH21 ARG 67 -8.873 -6.949 -6.188 502 HH22 ARG 67 HH22 ARG 67 -10.187 -6.302 -7.072 503 H TRP 68 H TRP 68 -13.412 -6.521 -0.995 504 HA TRP 68 HA TRP 68 -15.461 -8.413 -1.594 505 HB2 TRP 68 HB2 TRP 68 -15.026 -5.496 -2.271 506 HB3 TRP 68 HB3 TRP 68 -16.325 -6.378 -3.032 507 HD1 TRP 68 HD1 TRP 68 -15.301 -5.953 0.719 508 HE1 TRP 68 HE1 TRP 68 -17.418 -5.370 2.044 509 HE3 TRP 68 HE3 TRP 68 -18.758 -6.423 -3.019 510 HZ2 TRP 68 HZ2 TRP 68 -20.267 -5.257 1.578 511 HZ3 TRP 68 HZ3 TRP 68 -21.178 -6.290 -2.488 512 HH2 TRP 68 HH2 TRP 68 -21.934 -5.696 -0.205 513 H SER 69 H SER 69 -15.992 -9.510 -3.411 514 HA SER 69 HA SER 69 -14.070 -9.731 -5.587 515 HB2 SER 69 HB2 SER 69 -15.348 -11.636 -4.513 516 HB3 SER 69 HB3 SER 69 -16.846 -10.926 -5.106 517 HG SER 69 HG SER 69 -16.031 -12.651 -6.289 518 H GLU 70 H GLU 70 -14.581 -9.281 -7.801 519 HA GLU 70 HA GLU 70 -16.122 -6.946 -8.323 520 HB2 GLU 70 HB2 GLU 70 -15.211 -9.103 -10.278 521 HB3 GLU 70 HB3 GLU 70 -15.779 -7.478 -10.696 522 HG2 GLU 70 HG2 GLU 70 -13.887 -6.548 -9.269 523 HG3 GLU 70 HG3 GLU 70 -13.257 -8.196 -9.154 524 H GLU 71 H GLU 71 -17.023 -10.277 -8.026 525 HA GLU 71 HA GLU 71 -19.414 -10.301 -9.648 526 HB2 GLU 71 HB2 GLU 71 -18.679 -12.028 -7.237 527 HB3 GLU 71 HB3 GLU 71 -19.907 -12.363 -8.473 528 HG2 GLU 71 HG2 GLU 71 -18.000 -12.295 -10.179 529 HG3 GLU 71 HG3 GLU 71 -16.885 -12.263 -8.824 530 H GLU 72 H GLU 72 -18.651 -9.595 -6.216 531 HA GLU 72 HA GLU 72 -21.404 -9.329 -5.413 532 HB2 GLU 72 HB2 GLU 72 -18.774 -8.594 -4.106 533 HB3 GLU 72 HB3 GLU 72 -20.343 -8.613 -3.283 534 HG2 GLU 72 HG2 GLU 72 -20.595 -10.974 -3.531 535 HG3 GLU 72 HG3 GLU 72 -19.284 -11.114 -4.697 536 H LEU 73 H LEU 73 -18.966 -7.198 -6.724 537 HA LEU 73 HA LEU 73 -20.236 -4.709 -5.904 538 HB2 LEU 73 HB2 LEU 73 -18.080 -5.262 -7.973 539 HB3 LEU 73 HB3 LEU 73 -18.589 -3.656 -7.452 540 HG LEU 73 HG LEU 73 -17.328 -5.756 -5.630 541 HD11 LEU 73 HD11 LEU 73 -16.121 -3.195 -6.742 542 HD12 LEU 73 HD12 LEU 73 -15.729 -4.834 -7.289 543 HD13 LEU 73 HD13 LEU 73 -15.343 -4.343 -5.631 544 HD21 LEU 73 HD21 LEU 73 -18.788 -4.300 -4.344 545 HD22 LEU 73 HD22 LEU 73 -18.033 -2.859 -5.075 546 HD23 LEU 73 HD23 LEU 73 -17.095 -3.927 -4.001 547 H LYS 74 H LYS 74 -20.581 -6.856 -8.719 548 HA LYS 74 HA LYS 74 -22.021 -4.800 -10.222 549 HB2 LYS 74 HB2 LYS 74 -22.200 -6.575 -11.941 550 HB3 LYS 74 HB3 LYS 74 -20.527 -6.305 -11.408 551 HG2 LYS 74 HG2 LYS 74 -20.584 -8.253 -10.003 552 HG3 LYS 74 HG3 LYS 74 -22.320 -8.456 -10.175 553 HD2 LYS 74 HD2 LYS 74 -21.043 -10.081 -11.384 554 HD3 LYS 74 HD3 LYS 74 -22.129 -9.111 -12.399 555 HE2 LYS 74 HE2 LYS 74 -20.019 -9.444 -13.589 556 HE3 LYS 74 HE3 LYS 74 -20.275 -7.740 -13.189 557 HZ1 LYS 74 HZ1 LYS 74 -18.395 -9.638 -12.028 558 HZ2 LYS 74 HZ2 LYS 74 -18.797 -8.245 -11.183 559 HZ3 LYS 74 HZ3 LYS 74 -18.118 -8.141 -12.680 560 H GLU 75 H GLU 75 -22.939 -6.735 -7.717 561 HA GLU 75 HA GLU 75 -25.405 -7.917 -8.510 562 HB2 GLU 75 HB2 GLU 75 -24.440 -6.786 -5.879 563 HB3 GLU 75 HB3 GLU 75 -25.928 -7.645 -6.006 564 HG2 GLU 75 HG2 GLU 75 -24.702 -9.621 -6.992 565 HG3 GLU 75 HG3 GLU 75 -23.204 -8.781 -6.569 566 HA PRO 76 HA PRO 76 -28.005 -4.375 -8.959 567 HB2 PRO 76 HB2 PRO 76 -30.476 -5.149 -8.151 568 HB3 PRO 76 HB3 PRO 76 -29.625 -5.951 -9.513 569 HG2 PRO 76 HG2 PRO 76 -29.828 -6.882 -6.646 570 HG3 PRO 76 HG3 PRO 76 -30.095 -7.835 -8.130 571 HD2 PRO 76 HD2 PRO 76 -27.762 -7.740 -6.701 572 HD3 PRO 76 HD3 PRO 76 -27.720 -8.083 -8.432 573 H TYR 77 H TYR 77 -28.995 -2.591 -7.900 574 HA TYR 77 HA TYR 77 -28.066 -2.225 -5.146 575 HB2 TYR 77 HB2 TYR 77 -29.964 -0.371 -6.629 576 HB3 TYR 77 HB3 TYR 77 -28.866 -0.010 -5.310 577 HD1 TYR 77 HD2 TYR 77 -26.363 0.146 -5.784 578 HD2 TYR 77 HD1 TYR 77 -29.279 -0.371 -8.914 579 HE1 TYR 77 HE2 TYR 77 -24.712 0.929 -7.456 580 HE2 TYR 77 HE1 TYR 77 -27.631 0.302 -10.591 581 HH TYR 77 HH TYR 77 -24.897 0.446 -10.721 582 H ILE 78 H ILE 78 -31.169 -2.399 -6.868 583 HA ILE 78 HA ILE 78 -32.753 -2.338 -4.456 584 HB ILE 78 HB ILE 78 -34.653 -2.963 -5.827 585 HG12 ILE 78 HG12 ILE 78 -32.750 -3.173 -8.208 586 HG13 ILE 78 HG13 ILE 78 -33.516 -4.543 -7.390 587 HG21 ILE 78 HG21 ILE 78 -34.725 -0.911 -7.127 588 HG22 ILE 78 HG22 ILE 78 -33.792 -0.612 -5.661 589 HG23 ILE 78 HG23 ILE 78 -32.946 -0.839 -7.205 590 HD11 ILE 78 HD11 ILE 78 -35.755 -3.614 -7.924 591 HD12 ILE 78 HD12 ILE 78 -34.967 -2.348 -8.901 592 HD13 ILE 78 HD13 ILE 78 -34.795 -4.052 -9.354 593 H SER 79 H SER 79 -33.467 -3.922 -3.183 594 HA SER 79 HA SER 79 -33.207 -6.727 -3.764 595 HB2 SER 79 HB2 SER 79 -31.738 -6.999 -1.646 596 HB3 SER 79 HB3 SER 79 -30.956 -6.482 -3.140 597 HG SER 79 HG SER 79 -30.722 -4.472 -2.408 598 H ASN 80 H ASN 80 -33.906 -7.820 -1.411 599 HA ASN 80 HA ASN 80 -35.970 -6.071 -0.184 600 HB2 ASN 80 HB2 ASN 80 -36.470 -8.611 -1.740 601 HB3 ASN 80 HB3 ASN 80 -37.509 -8.251 -0.379 602 HD21 ASN 80 HD21 ASN 80 -38.192 -5.715 -0.331 603 HD22 ASN 80 HD22 ASN 80 -38.807 -5.210 -1.903 604 H ASN 81 H ASN 81 -33.319 -7.426 0.778 605 HA ASN 81 HA ASN 81 -34.516 -8.310 3.306 606 HB2 ASN 81 HB2 ASN 81 -34.062 -10.442 2.262 607 HB3 ASN 81 HB3 ASN 81 -32.376 -9.948 1.940 608 HD21 ASN 81 HD21 ASN 81 -31.660 -11.800 3.395 609 HD22 ASN 81 HD22 ASN 81 -31.731 -11.538 5.121 610 HA PRO 82 HA PRO 82 -31.274 -5.197 3.968 611 HB2 PRO 82 HB2 PRO 82 -31.984 -4.483 6.533 612 HB3 PRO 82 HB3 PRO 82 -32.820 -3.883 5.042 613 HG2 PRO 82 HG2 PRO 82 -33.611 -6.151 6.896 614 HG3 PRO 82 HG3 PRO 82 -34.648 -4.841 6.238 615 HD2 PRO 82 HD2 PRO 82 -34.538 -7.326 5.134 616 HD3 PRO 82 HD3 PRO 82 -34.742 -5.871 4.108 617 H ASP 83 H ASP 83 -31.713 -8.250 5.522 618 HA ASP 83 HA ASP 83 -29.511 -7.964 7.433 619 HB2 ASP 83 HB2 ASP 83 -31.443 -9.228 7.993 620 HB3 ASP 83 HB3 ASP 83 -31.329 -10.201 6.528 621 H GLU 84 H GLU 84 -30.079 -9.417 4.242 622 HA GLU 84 HA GLU 84 -27.573 -10.790 4.061 623 HB2 GLU 84 HB2 GLU 84 -29.574 -9.816 1.996 624 HB3 GLU 84 HB3 GLU 84 -28.072 -10.576 1.500 625 HG2 GLU 84 HG2 GLU 84 -29.429 -12.220 3.514 626 HG3 GLU 84 HG3 GLU 84 -30.472 -11.860 2.137 627 H ILE 85 H ILE 85 -28.252 -7.373 3.608 628 HA ILE 85 HA ILE 85 -26.030 -6.899 1.812 629 HB ILE 85 HB ILE 85 -26.415 -4.620 1.957 630 HG12 ILE 85 HG12 ILE 85 -28.026 -5.032 4.494 631 HG13 ILE 85 HG13 ILE 85 -26.425 -4.318 4.399 632 HG21 ILE 85 HG21 ILE 85 -28.187 -6.041 0.863 633 HG22 ILE 85 HG22 ILE 85 -29.183 -5.847 2.323 634 HG23 ILE 85 HG23 ILE 85 -28.731 -4.436 1.339 635 HD11 ILE 85 HD11 ILE 85 -28.969 -3.123 3.251 636 HD12 ILE 85 HD12 ILE 85 -28.010 -2.533 4.617 637 HD13 ILE 85 HD13 ILE 85 -27.330 -2.475 2.981 638 H ARG 86 H ARG 86 -24.128 -5.403 2.416 639 HA ARG 86 HA ARG 86 -23.244 -5.847 5.192 640 HB2 ARG 86 HB2 ARG 86 -22.625 -7.762 3.538 641 HB3 ARG 86 HB3 ARG 86 -21.427 -6.649 2.888 642 HG2 ARG 86 HG2 ARG 86 -20.194 -6.620 4.940 643 HG3 ARG 86 HG3 ARG 86 -21.588 -7.192 5.866 644 HD2 ARG 86 HD2 ARG 86 -21.433 -9.332 4.368 645 HD3 ARG 86 HD3 ARG 86 -19.804 -8.774 3.979 646 HE ARG 86 HE ARG 86 -19.137 -9.513 6.043 647 HH11 ARG 86 HH11 ARG 86 -22.720 -9.076 6.173 648 HH12 ARG 86 HH12 ARG 86 -22.856 -9.893 7.693 649 HH21 ARG 86 HH21 ARG 86 -19.473 -10.809 7.863 650 HH22 ARG 86 HH22 ARG 86 -21.035 -10.854 8.674 651 H GLU 87 H GLU 87 -21.063 -4.818 5.577 652 HA GLU 87 HA GLU 87 -21.233 -2.037 4.748 653 HB2 GLU 87 HB2 GLU 87 -19.273 -1.788 6.239 654 HB3 GLU 87 HB3 GLU 87 -20.665 -2.528 7.022 655 HG2 GLU 87 HG2 GLU 87 -19.017 -4.658 5.982 656 HG3 GLU 87 HG3 GLU 87 -17.952 -3.472 6.704 657 H LYS 88 H LYS 88 -19.582 -0.934 3.612 658 HA LYS 88 HA LYS 88 -17.626 -2.578 2.062 659 HB2 LYS 88 HB2 LYS 88 -19.768 -2.342 0.789 660 HB3 LYS 88 HB3 LYS 88 -19.606 -0.583 0.906 661 HG2 LYS 88 HG2 LYS 88 -17.405 -0.798 -0.278 662 HG3 LYS 88 HG3 LYS 88 -17.789 -2.492 -0.612 663 HD2 LYS 88 HD2 LYS 88 -19.834 -0.372 -1.344 664 HD3 LYS 88 HD3 LYS 88 -18.354 -0.433 -2.275 665 HE2 LYS 88 HE2 LYS 88 -19.991 -1.688 -3.429 666 HE3 LYS 88 HE3 LYS 88 -18.723 -2.772 -2.851 667 HZ1 LYS 88 HZ1 LYS 88 -21.335 -2.446 -1.463 668 HZ2 LYS 88 HZ2 LYS 88 -20.240 -3.649 -1.229 669 HZ3 LYS 88 HZ3 LYS 88 -21.073 -3.548 -2.626 670 H LYS 89 H LYS 89 -15.829 -1.670 3.101 671 HA LYS 89 HA LYS 89 -15.601 1.177 3.615 672 HB2 LYS 89 HB2 LYS 89 -13.574 -1.067 3.972 673 HB3 LYS 89 HB3 LYS 89 -13.433 0.578 4.542 674 HG2 LYS 89 HG2 LYS 89 -14.137 -0.412 6.479 675 HG3 LYS 89 HG3 LYS 89 -15.685 0.003 5.785 676 HD2 LYS 89 HD2 LYS 89 -16.327 -2.102 5.330 677 HD3 LYS 89 HD3 LYS 89 -14.699 -2.716 5.183 678 HE2 LYS 89 HE2 LYS 89 -15.943 -1.834 7.780 679 HE3 LYS 89 HE3 LYS 89 -15.915 -3.492 7.148 680 HZ1 LYS 89 HZ1 LYS 89 -14.165 -3.052 8.803 681 HZ2 LYS 89 HZ2 LYS 89 -13.419 -2.021 7.787 682 HZ3 LYS 89 HZ3 LYS 89 -13.606 -3.628 7.419 683 HA PRO 90 HA PRO 90 -13.629 1.430 -0.539 684 HB2 PRO 90 HB2 PRO 90 -13.776 4.103 -0.909 685 HB3 PRO 90 HB3 PRO 90 -15.230 3.075 -0.996 686 HG2 PRO 90 HG2 PRO 90 -14.304 4.727 1.333 687 HG3 PRO 90 HG3 PRO 90 -15.947 4.604 0.642 688 HD2 PRO 90 HD2 PRO 90 -15.166 3.087 2.850 689 HD3 PRO 90 HD3 PRO 90 -16.333 2.554 1.629 690 H LEU 91 H LEU 91 -11.503 1.316 -0.806 691 HA LEU 91 HA LEU 91 -9.594 2.926 0.878 692 HB2 LEU 91 HB2 LEU 91 -9.153 0.319 -0.630 693 HB3 LEU 91 HB3 LEU 91 -8.077 1.077 0.540 694 HG LEU 91 HG LEU 91 -10.836 -0.096 1.169 695 HD11 LEU 91 HD11 LEU 91 -9.356 -1.842 0.470 696 HD12 LEU 91 HD12 LEU 91 -9.620 -1.943 2.220 697 HD13 LEU 91 HD13 LEU 91 -8.094 -1.288 1.599 698 HD21 LEU 91 HD21 LEU 91 -10.141 1.673 2.791 699 HD22 LEU 91 HD22 LEU 91 -8.653 0.748 3.112 700 HD23 LEU 91 HD23 LEU 91 -10.235 0.064 3.513 701 H ARG 92 H ARG 92 -9.488 4.772 -0.395 702 HA ARG 92 HA ARG 92 -8.984 4.533 -3.329 703 HB2 ARG 92 HB2 ARG 92 -9.812 6.814 -1.500 704 HB3 ARG 92 HB3 ARG 92 -9.305 7.046 -3.184 705 HG2 ARG 92 HG2 ARG 92 -11.145 5.807 -4.031 706 HG3 ARG 92 HG3 ARG 92 -11.669 5.317 -2.398 707 HD2 ARG 92 HD2 ARG 92 -12.500 7.414 -1.873 708 HD3 ARG 92 HD3 ARG 92 -11.331 8.259 -2.893 709 HE ARG 92 HE ARG 92 -12.968 6.867 -4.667 710 HH11 ARG 92 HH11 ARG 92 -13.556 9.398 -2.206 711 HH12 ARG 92 HH12 ARG 92 -14.447 10.392 -3.292 712 HH21 ARG 92 HH21 ARG 92 -13.981 8.285 -6.085 713 HH22 ARG 92 HH22 ARG 92 -14.905 9.616 -5.530 714 H TYR 93 H TYR 93 -6.851 4.290 -3.750 715 HA TYR 93 HA TYR 93 -4.837 5.507 -2.001 716 HB2 TYR 93 HB2 TYR 93 -4.590 3.732 -4.419 717 HB3 TYR 93 HB3 TYR 93 -3.248 4.416 -3.497 718 HD1 TYR 93 HD2 TYR 93 -6.309 2.404 -2.972 719 HD2 TYR 93 HD1 TYR 93 -2.262 3.054 -1.840 720 HE1 TYR 93 HE2 TYR 93 -6.477 0.479 -1.294 721 HE2 TYR 93 HE1 TYR 93 -2.390 1.263 -0.215 722 HH TYR 93 HH TYR 93 -3.616 -0.509 0.615 723 H GLY 94 H GLY 94 -3.237 7.014 -2.596 724 HA2 GLY 94 HA2 GLY 94 -3.906 9.012 -4.439 725 HA3 GLY 94 HA3 GLY 94 -3.072 8.893 -2.894 726 H LYS 95 H LYS 95 -1.950 10.297 -4.978 727 HA LYS 95 HA LYS 95 -0.173 8.672 -6.580 728 HB2 LYS 95 HB2 LYS 95 -1.146 10.816 -7.256 729 HB3 LYS 95 HB3 LYS 95 -0.293 11.641 -5.950 730 HG2 LYS 95 HG2 LYS 95 1.803 11.414 -7.032 731 HG3 LYS 95 HG3 LYS 95 1.210 10.083 -8.042 732 HD2 LYS 95 HD2 LYS 95 1.447 12.082 -9.374 733 HD3 LYS 95 HD3 LYS 95 -0.228 11.561 -9.313 734 HE2 LYS 95 HE2 LYS 95 0.851 13.752 -7.483 735 HE3 LYS 95 HE3 LYS 95 0.342 14.080 -9.140 736 HZ1 LYS 95 HZ1 LYS 95 -1.886 13.174 -8.487 737 HZ2 LYS 95 HZ2 LYS 95 -1.422 14.594 -7.814 738 HZ3 LYS 95 HZ3 LYS 95 -1.403 13.238 -6.916 739 H VAL 96 H VAL 96 2.376 9.090 -6.346 740 HA VAL 96 HA VAL 96 3.099 9.106 -3.466 741 HB VAL 96 HB VAL 96 4.276 7.499 -5.764 742 HG11 VAL 96 HG11 VAL 96 6.044 8.072 -4.115 743 HG12 VAL 96 HG12 VAL 96 5.016 7.446 -2.812 744 HG13 VAL 96 HG13 VAL 96 5.633 6.358 -4.073 745 HG21 VAL 96 HG21 VAL 96 2.705 6.627 -3.294 746 HG22 VAL 96 HG22 VAL 96 2.103 6.615 -4.971 747 HG23 VAL 96 HG23 VAL 96 3.428 5.546 -4.499 748 H TYR 97 H TYR 97 5.032 10.102 -2.862 749 HA TYR 97 HA TYR 97 6.343 11.828 -4.844 750 HB2 TYR 97 HB2 TYR 97 5.623 12.818 -2.017 751 HB3 TYR 97 HB3 TYR 97 6.170 13.761 -3.366 752 HD1 TYR 97 HD2 TYR 97 3.355 11.943 -1.853 753 HD2 TYR 97 HD1 TYR 97 4.586 14.411 -5.130 754 HE1 TYR 97 HE2 TYR 97 0.973 12.302 -2.413 755 HE2 TYR 97 HE1 TYR 97 2.186 14.772 -5.757 756 HH TYR 97 HH TYR 97 -0.566 13.216 -3.952 757 H SER 98 H SER 98 8.518 12.636 -3.839 758 HA SER 98 HA SER 98 9.806 10.432 -2.282 759 HB2 SER 98 HB2 SER 98 10.361 10.512 -4.593 760 HB3 SER 98 HB3 SER 98 10.982 12.172 -4.479 761 HG SER 98 HG SER 98 12.721 11.374 -3.383 762 H THR 99 H THR 99 11.178 10.986 -0.718 763 HA THR 99 HA THR 99 10.635 13.416 0.700 764 HB THR 99 HB THR 99 12.461 12.562 2.237 765 HG1 THR 99 HG1 THR 99 13.338 10.598 1.802 766 HG21 THR 99 HG21 THR 99 10.077 11.834 2.497 767 HG22 THR 99 HG22 THR 99 11.248 10.594 3.002 768 HG23 THR 99 HG23 THR 99 10.417 10.441 1.448 769 H ASN 100 H ASN 100 11.990 15.094 1.266 770 HA ASN 100 HA ASN 100 13.330 16.432 -0.808 771 HB2 ASN 100 HB2 ASN 100 13.427 17.107 2.150 772 HB3 ASN 100 HB3 ASN 100 13.508 18.201 0.781 773 HD21 ASN 100 HD21 ASN 100 11.513 19.321 0.359 774 HD22 ASN 100 HD22 ASN 100 9.962 18.634 0.863 775 H GLU 101 H GLU 101 14.745 13.868 0.531 776 HA GLU 101 HA GLU 101 17.115 14.783 1.715 777 HB2 GLU 101 HB2 GLU 101 17.003 12.248 0.142 778 HB3 GLU 101 HB3 GLU 101 17.960 12.634 1.584 779 HG2 GLU 101 HG2 GLU 101 15.049 12.129 1.283 780 HG3 GLU 101 HG3 GLU 101 16.213 11.153 2.173 781 H ASP 102 H ASP 102 16.199 14.635 -1.585 782 HA ASP 102 HA ASP 102 17.129 14.824 -3.597 783 HB2 ASP 102 HB2 ASP 102 18.698 16.825 -1.984 784 HB3 ASP 102 HB3 ASP 102 18.602 16.766 -3.756 785 H SER 103 H SER 103 18.204 12.642 -1.964 786 HA SER 103 HA SER 103 20.930 12.306 -3.026 787 HB2 SER 103 HB2 SER 103 20.996 10.522 -1.201 788 HB3 SER 103 HB3 SER 103 21.010 12.207 -0.673 789 HG SER 103 HG SER 103 18.604 10.650 -0.748 790 H ASP 104 H ASP 104 21.384 9.868 -3.331 791 HA ASP 104 HA ASP 104 19.427 8.926 -5.280 792 HB2 ASP 104 HB2 ASP 104 21.893 9.048 -5.688 793 HB3 ASP 104 HB3 ASP 104 22.152 7.860 -4.422 794 H ALA 105 H ALA 105 20.404 8.254 -2.070 795 HA ALA 105 HA ALA 105 20.021 5.750 -1.337 796 HB1 ALA 105 HB1 ALA 105 18.987 8.233 0.045 797 HB2 ALA 105 HB2 ALA 105 19.189 6.656 0.840 798 HB3 ALA 105 HB3 ALA 105 20.603 7.509 0.174 799 H LYS 106 H LYS 106 17.146 7.970 -1.299 800 HA LYS 106 HA LYS 106 14.910 7.543 -1.470 801 HB2 LYS 106 HB2 LYS 106 15.847 7.309 -3.661 802 HB3 LYS 106 HB3 LYS 106 15.964 5.551 -3.473 803 HG2 LYS 106 HG2 LYS 106 13.640 5.260 -3.694 804 HG3 LYS 106 HG3 LYS 106 13.296 6.957 -3.303 805 HD2 LYS 106 HD2 LYS 106 13.007 6.388 -5.708 806 HD3 LYS 106 HD3 LYS 106 14.124 7.716 -5.404 807 HE2 LYS 106 HE2 LYS 106 15.055 4.860 -5.936 808 HE3 LYS 106 HE3 LYS 106 14.789 6.050 -7.212 809 HZ1 LYS 106 HZ1 LYS 106 16.465 7.459 -5.918 810 HZ2 LYS 106 HZ2 LYS 106 17.049 6.199 -6.780 811 HZ3 LYS 106 HZ3 LYS 106 16.903 6.075 -5.165 812 H ASP 107 H ASP 107 15.990 6.246 0.791 813 HA ASP 107 HA ASP 107 14.773 3.545 0.781 814 HB2 ASP 107 HB2 ASP 107 15.528 3.358 3.106 815 HB3 ASP 107 HB3 ASP 107 16.780 3.534 1.893 816 H GLU 108 H GLU 108 13.678 6.730 1.249 817 HA GLU 108 HA GLU 108 11.138 5.719 2.414 818 HB2 GLU 108 HB2 GLU 108 13.080 7.751 3.375 819 HB3 GLU 108 HB3 GLU 108 11.366 8.186 3.507 820 HG2 GLU 108 HG2 GLU 108 10.914 6.402 4.990 821 HG3 GLU 108 HG3 GLU 108 12.472 5.630 4.584 822 H ILE 109 H ILE 109 9.326 6.690 1.616 823 HA ILE 109 HA ILE 109 9.413 8.876 -0.344 824 HB ILE 109 HB ILE 109 8.062 7.554 -1.963 825 HG12 ILE 109 HG12 ILE 109 8.498 4.914 -1.602 826 HG13 ILE 109 HG13 ILE 109 8.442 5.366 0.099 827 HG21 ILE 109 HG21 ILE 109 9.880 6.327 -2.962 828 HG22 ILE 109 HG22 ILE 109 10.459 7.870 -2.278 829 HG23 ILE 109 HG23 ILE 109 10.772 6.326 -1.440 830 HD11 ILE 109 HD11 ILE 109 6.210 5.009 -0.274 831 HD12 ILE 109 HD12 ILE 109 6.217 6.689 -0.747 832 HD13 ILE 109 HD13 ILE 109 6.298 5.467 -1.999 833 H ILE 110 H ILE 110 7.118 9.695 -0.734 834 HA ILE 110 HA ILE 110 5.442 9.165 1.663 835 HB ILE 110 HB ILE 110 5.265 11.607 -0.088 836 HG12 ILE 110 HG12 ILE 110 7.241 10.987 2.152 837 HG13 ILE 110 HG13 ILE 110 7.591 11.530 0.512 838 HG21 ILE 110 HG21 ILE 110 4.723 11.332 2.887 839 HG22 ILE 110 HG22 ILE 110 4.184 12.601 1.763 840 HG23 ILE 110 HG23 ILE 110 3.477 10.994 1.678 841 HD11 ILE 110 HD11 ILE 110 6.332 13.709 1.196 842 HD12 ILE 110 HD12 ILE 110 6.662 13.129 2.852 843 HD13 ILE 110 HD13 ILE 110 8.002 13.389 1.730 844 H VAL 111 H VAL 111 3.758 8.033 1.432 845 HA VAL 111 HA VAL 111 2.380 7.546 -1.189 846 HB VAL 111 HB VAL 111 2.619 6.159 1.460 847 HG11 VAL 111 HG11 VAL 111 0.913 4.478 0.975 848 HG12 VAL 111 HG12 VAL 111 0.132 6.020 1.125 849 HG13 VAL 111 HG13 VAL 111 0.414 5.326 -0.479 850 HG21 VAL 111 HG21 VAL 111 3.526 4.435 0.201 851 HG22 VAL 111 HG22 VAL 111 2.738 4.989 -1.317 852 HG23 VAL 111 HG23 VAL 111 4.084 5.880 -0.623 853 H GLU 112 H GLU 112 0.411 8.477 -1.647 854 HA GLU 112 HA GLU 112 -0.952 9.978 0.535 855 HB2 GLU 112 HB2 GLU 112 -0.545 10.901 -1.734 856 HB3 GLU 112 HB3 GLU 112 -1.380 9.653 -2.389 857 HG2 GLU 112 HG2 GLU 112 -3.493 10.466 -1.165 858 HG3 GLU 112 HG3 GLU 112 -2.572 11.868 -0.632 859 H PHE 113 H PHE 113 -3.040 9.341 1.302 860 HA PHE 113 HA PHE 113 -4.493 7.183 -0.041 861 HB2 PHE 113 HB2 PHE 113 -2.858 6.168 1.709 862 HB3 PHE 113 HB3 PHE 113 -3.731 7.065 2.910 863 HD1 PHE 113 HD2 PHE 113 -5.163 5.147 -0.052 864 HD2 PHE 113 HD1 PHE 113 -4.718 5.399 4.232 865 HE1 PHE 113 HE2 PHE 113 -6.699 3.355 0.153 866 HE2 PHE 113 HE1 PHE 113 -6.332 3.576 4.468 867 HZ PHE 113 HZ PHE 113 -7.420 2.566 2.460 868 H ASN 114 H ASN 114 -6.740 7.436 0.318 869 HA ASN 114 HA ASN 114 -8.594 8.654 0.635 870 HB2 ASN 114 HB2 ASN 114 -7.687 8.357 3.497 871 HB3 ASN 114 HB3 ASN 114 -9.306 8.802 3.018 872 HD21 ASN 114 HD21 ASN 114 -10.047 7.098 0.994 873 HD22 ASN 114 HD22 ASN 114 -10.106 5.504 1.742 874 H ARG 115 H ARG 115 -6.462 10.432 -0.052 875 HA ARG 115 HA ARG 115 -6.243 12.613 -0.469 876 HB2 ARG 115 HB2 ARG 115 -8.599 13.293 1.322 877 HB3 ARG 115 HB3 ARG 115 -7.851 14.253 0.061 878 HG2 ARG 115 HG2 ARG 115 -9.427 13.498 -1.281 879 HG3 ARG 115 HG3 ARG 115 -8.445 12.018 -1.383 880 HD2 ARG 115 HD2 ARG 115 -10.732 11.449 -1.113 881 HD3 ARG 115 HD3 ARG 115 -9.837 10.933 0.287 882 HE ARG 115 HE ARG 115 -11.466 13.444 0.247 883 HH11 ARG 115 HH11 ARG 115 -10.328 10.921 2.359 884 HH12 ARG 115 HH12 ARG 115 -11.856 10.594 3.125 885 HH21 ARG 115 HH21 ARG 115 -13.432 13.220 1.240 886 HH22 ARG 115 HH22 ARG 115 -13.707 12.013 2.472 887 H GLU 116 H GLU 116 -4.758 11.284 1.740 888 HA GLU 116 HA GLU 116 -3.804 13.715 3.055 889 HB2 GLU 116 HB2 GLU 116 -4.510 11.071 4.398 890 HB3 GLU 116 HB3 GLU 116 -3.511 12.335 5.131 891 HG2 GLU 116 HG2 GLU 116 -5.479 13.912 4.802 892 HG3 GLU 116 HG3 GLU 116 -6.448 12.507 4.348 893 H TYR 117 H TYR 117 -1.509 13.535 3.399 894 HA TYR 117 HA TYR 117 -0.189 11.483 1.726 895 HB2 TYR 117 HB2 TYR 117 1.071 13.965 2.884 896 HB3 TYR 117 HB3 TYR 117 1.604 13.019 1.513 897 HD1 TYR 117 HD1 TYR 117 -0.353 12.824 -0.408 898 HD2 TYR 117 HD2 TYR 117 -0.152 15.898 2.574 899 HE1 TYR 117 HE1 TYR 117 -1.940 14.210 -1.745 900 HE2 TYR 117 HE2 TYR 117 -1.770 17.276 1.283 901 HH TYR 117 HH TYR 117 -3.144 16.246 -1.837 902 H TYR 118 H TYR 118 0.971 9.852 2.669 903 HA TYR 118 HA TYR 118 1.706 10.128 5.542 904 HB2 TYR 118 HB2 TYR 118 0.869 7.649 4.016 905 HB3 TYR 118 HB3 TYR 118 1.411 7.705 5.691 906 HD1 TYR 118 HD2 TYR 118 0.026 8.779 7.458 907 HD2 TYR 118 HD1 TYR 118 -1.335 8.488 3.373 908 HE1 TYR 118 HE2 TYR 118 -2.282 9.288 8.197 909 HE2 TYR 118 HE1 TYR 118 -3.635 9.023 4.102 910 HH TYR 118 HH TYR 118 -5.042 8.969 6.025 911 H ARG 119 H ARG 119 3.722 9.951 6.035 912 HA ARG 119 HA ARG 119 5.788 9.646 4.061 913 HB2 ARG 119 HB2 ARG 119 5.855 10.992 6.257 914 HB3 ARG 119 HB3 ARG 119 6.023 9.465 7.138 915 HG2 ARG 119 HG2 ARG 119 7.725 10.125 4.773 916 HG3 ARG 119 HG3 ARG 119 8.124 10.892 6.311 917 HD2 ARG 119 HD2 ARG 119 7.910 7.852 6.185 918 HD3 ARG 119 HD3 ARG 119 9.387 8.701 5.683 919 HE ARG 119 HE ARG 119 8.648 9.696 8.184 920 HH11 ARG 119 HH11 ARG 119 9.970 6.714 6.775 921 HH12 ARG 119 HH12 ARG 119 11.078 6.444 8.079 922 HH21 ARG 119 HH21 ARG 119 10.107 9.276 9.916 923 HH22 ARG 119 HH22 ARG 119 11.242 7.999 9.787 924 H ALA 120 H ALA 120 6.736 7.682 3.348 925 HA ALA 120 HA ALA 120 6.142 5.356 5.012 926 HB1 ALA 120 HB1 ALA 120 5.572 4.068 3.156 927 HB2 ALA 120 HB2 ALA 120 4.749 5.603 2.869 928 HB3 ALA 120 HB3 ALA 120 6.258 5.241 2.003 929 H VAL 121 H VAL 121 7.683 3.538 4.667 930 HA VAL 121 HA VAL 121 10.408 4.340 3.794 931 HB VAL 121 HB VAL 121 10.245 4.775 6.134 932 HG11 VAL 121 HG11 VAL 121 9.704 3.240 7.852 933 HG12 VAL 121 HG12 VAL 121 8.380 3.743 6.815 934 HG13 VAL 121 HG13 VAL 121 9.087 2.098 6.635 935 HG21 VAL 121 HG21 VAL 121 11.740 2.155 5.990 936 HG22 VAL 121 HG22 VAL 121 12.354 3.675 5.302 937 HG23 VAL 121 HG23 VAL 121 12.053 3.552 7.038 938 H LEU 122 H LEU 122 11.695 2.667 3.029 939 HA LEU 122 HA LEU 122 10.371 0.457 1.859 940 HB2 LEU 122 HB2 LEU 122 12.514 1.865 1.174 941 HB3 LEU 122 HB3 LEU 122 13.390 0.694 2.161 942 HG LEU 122 HG LEU 122 12.564 -1.085 0.767 943 HD11 LEU 122 HD11 LEU 122 10.436 -0.377 -0.088 944 HD12 LEU 122 HD12 LEU 122 11.492 -0.285 -1.510 945 HD13 LEU 122 HD13 LEU 122 11.152 1.184 -0.587 946 HD21 LEU 122 HD21 LEU 122 14.665 0.164 0.029 947 HD22 LEU 122 HD22 LEU 122 13.636 1.131 -1.032 948 HD23 LEU 122 HD23 LEU 122 13.756 -0.609 -1.299 949 H ILE 123 H ILE 123 9.772 -1.450 2.860 950 HA ILE 123 HA ILE 123 10.708 -1.963 5.587 951 HB ILE 123 HB ILE 123 8.743 -3.353 3.718 952 HG12 ILE 123 HG12 ILE 123 8.087 -2.036 6.342 953 HG13 ILE 123 HG13 ILE 123 8.350 -1.010 4.937 954 HG21 ILE 123 HG21 ILE 123 9.406 -4.027 6.630 955 HG22 ILE 123 HG22 ILE 123 7.997 -4.649 5.752 956 HG23 ILE 123 HG23 ILE 123 9.615 -5.099 5.236 957 HD11 ILE 123 HD11 ILE 123 6.420 -3.328 4.769 958 HD12 ILE 123 HD12 ILE 123 5.930 -1.738 5.371 959 HD13 ILE 123 HD13 ILE 123 6.588 -1.877 3.744 960 H LYS 124 H LYS 124 10.453 -3.750 2.625 961 HA LYS 124 HA LYS 124 12.065 -5.974 3.065 962 HB2 LYS 124 HB2 LYS 124 11.858 -6.112 0.582 963 HB3 LYS 124 HB3 LYS 124 10.358 -5.956 1.443 964 HG2 LYS 124 HG2 LYS 124 10.276 -4.704 -0.628 965 HG3 LYS 124 HG3 LYS 124 10.168 -3.601 0.732 966 HD2 LYS 124 HD2 LYS 124 11.562 -2.608 -0.957 967 HD3 LYS 124 HD3 LYS 124 12.586 -3.059 0.429 968 HE2 LYS 124 HE2 LYS 124 13.332 -5.024 -0.674 969 HE3 LYS 124 HE3 LYS 124 12.300 -4.687 -2.074 970 HZ1 LYS 124 HZ1 LYS 124 13.723 -2.728 -2.522 971 HZ2 LYS 124 HZ2 LYS 124 14.500 -4.113 -2.537 972 HZ3 LYS 124 HZ3 LYS 124 14.706 -3.178 -1.230 973 H ASN 125 H ASN 125 13.432 -3.234 3.449 974 HA ASN 125 HA ASN 125 15.987 -3.724 2.003 975 HB2 ASN 125 HB2 ASN 125 15.020 -1.806 1.011 976 HB3 ASN 125 HB3 ASN 125 14.426 -1.190 2.562 977 HD21 ASN 125 HD21 ASN 125 15.796 0.004 3.925 978 HD22 ASN 125 HD22 ASN 125 17.348 0.564 3.420 979 H GLU 126 H GLU 126 14.271 -2.354 4.908 980 HA GLU 126 HA GLU 126 16.773 -2.415 6.412 981 HB2 GLU 126 HB2 GLU 126 15.519 -1.512 8.230 982 HB3 GLU 126 HB3 GLU 126 15.192 -0.573 6.780 983 HG2 GLU 126 HG2 GLU 126 12.981 -1.635 6.550 984 HG3 GLU 126 HG3 GLU 126 13.305 -2.665 7.947 985 H LYS 127 H LYS 127 16.016 -3.565 8.847 986 HA LYS 127 HA LYS 127 14.941 -6.223 8.233 987 HB2 LYS 127 HB2 LYS 127 16.822 -7.339 9.218 988 HB3 LYS 127 HB3 LYS 127 17.296 -6.354 7.828 989 HG2 LYS 127 HG2 LYS 127 18.252 -4.646 9.259 990 HG3 LYS 127 HG3 LYS 127 17.781 -5.518 10.719 991 HD2 LYS 127 HD2 LYS 127 19.561 -6.753 8.568 992 HD3 LYS 127 HD3 LYS 127 20.223 -5.803 9.908 993 HE2 LYS 127 HE2 LYS 127 19.437 -7.309 11.556 994 HE3 LYS 127 HE3 LYS 127 18.363 -8.137 10.423 995 HZ1 LYS 127 HZ1 LYS 127 20.372 -9.392 10.942 996 HZ2 LYS 127 HZ2 LYS 127 21.316 -8.284 10.254 997 HZ3 LYS 127 HZ3 LYS 127 20.202 -9.133 9.347 998 H GLU 128 H GLU 128 13.819 -3.912 9.544 999 HA GLU 128 HA GLU 128 13.729 -4.775 12.367 1000 HB2 GLU 128 HB2 GLU 128 14.304 -2.326 11.699 1001 HB3 GLU 128 HB3 GLU 128 12.623 -2.211 11.159 1002 HG2 GLU 128 HG2 GLU 128 12.825 -1.337 13.406 1003 HG3 GLU 128 HG3 GLU 128 11.868 -2.820 13.463 Start of MODEL 13 1 H1 GLY 1 H GLY 1 37.653 -26.287 8.906 2 HA2 GLY 1 HA2 GLY 1 40.071 -24.696 8.200 3 HA3 GLY 1 HA3 GLY 1 40.037 -26.481 8.266 4 H SER 2 H SER 2 40.378 -24.446 5.877 5 HA SER 2 HA SER 2 39.669 -24.203 3.767 6 HB2 SER 2 HB2 SER 2 38.546 -27.010 4.038 7 HB3 SER 2 HB3 SER 2 39.147 -26.203 2.577 8 HG SER 2 HG SER 2 40.757 -27.534 3.400 9 H THR 3 H THR 3 37.792 -23.385 5.952 10 HA THR 3 HA THR 3 35.127 -23.911 5.283 11 HB THR 3 HB THR 3 36.155 -21.420 6.682 12 HG1 THR 3 HG1 THR 3 36.157 -22.686 8.571 13 HG21 THR 3 HG21 THR 3 33.706 -21.722 6.401 14 HG22 THR 3 HG22 THR 3 34.177 -21.774 8.103 15 HG23 THR 3 HG23 THR 3 33.800 -23.284 7.239 16 H MET 4 H MET 4 34.352 -23.431 3.278 17 HA MET 4 HA MET 4 35.328 -21.166 1.721 18 HB2 MET 4 HB2 MET 4 33.063 -23.166 1.247 19 HB3 MET 4 HB3 MET 4 33.617 -21.962 0.075 20 HG2 MET 4 HG2 MET 4 35.890 -22.964 0.123 21 HG3 MET 4 HG3 MET 4 35.299 -24.224 1.214 22 HE1 MET 4 HE1 MET 4 35.895 -26.156 -2.138 23 HE2 MET 4 HE2 MET 4 36.850 -24.793 -1.511 24 HE3 MET 4 HE3 MET 4 36.275 -26.063 -0.402 25 H HIS 5 H HIS 5 33.247 -19.918 0.601 26 HA HIS 5 HA HIS 5 31.362 -18.977 2.647 27 HB2 HIS 5 HB2 HIS 5 31.890 -16.621 1.981 28 HB3 HIS 5 HB3 HIS 5 33.184 -17.421 2.856 29 HD1 HIS 5 HD1 HIS 5 35.517 -17.447 1.682 30 HD2 HIS 5 HD2 HIS 5 32.288 -16.439 -0.836 31 HE1 HIS 5 HE1 HIS 5 36.521 -16.785 -0.582 32 H PHE 6 H PHE 6 29.967 -17.154 1.180 33 HA PHE 6 HA PHE 6 29.395 -18.348 -1.451 34 HB2 PHE 6 HB2 PHE 6 28.000 -19.368 0.510 35 HB3 PHE 6 HB3 PHE 6 27.218 -17.786 0.573 36 HD1 PHE 6 HD1 PHE 6 28.095 -20.543 -1.837 37 HD2 PHE 6 HD2 PHE 6 25.280 -17.464 -0.734 38 HE1 PHE 6 HE1 PHE 6 26.549 -21.313 -3.602 39 HE2 PHE 6 HE2 PHE 6 23.753 -18.235 -2.536 40 HZ PHE 6 HZ PHE 6 24.364 -20.166 -3.953 41 H THR 7 H THR 7 27.413 -16.903 -2.377 42 HA THR 7 HA THR 7 28.418 -14.210 -2.555 43 HB THR 7 HB THR 7 26.425 -14.090 -4.170 44 HG1 THR 7 HG1 THR 7 25.177 -15.811 -3.186 45 HG21 THR 7 HG21 THR 7 28.728 -14.761 -4.876 46 HG22 THR 7 HG22 THR 7 27.477 -15.609 -5.807 47 HG23 THR 7 HG23 THR 7 28.338 -16.457 -4.501 48 H ASP 8 H ASP 8 26.746 -12.330 -2.400 49 HA ASP 8 HA ASP 8 25.534 -12.488 0.278 50 HB2 ASP 8 HB2 ASP 8 25.373 -10.099 0.227 51 HB3 ASP 8 HB3 ASP 8 27.001 -10.635 -0.158 52 H ASP 9 H ASP 9 23.489 -10.895 0.384 53 HA ASP 9 HA ASP 9 21.389 -12.162 -1.263 54 HB2 ASP 9 HB2 ASP 9 19.941 -11.791 0.619 55 HB3 ASP 9 HB3 ASP 9 21.399 -12.633 1.162 56 H ASN 10 H ASN 10 19.983 -10.912 -2.382 57 HA ASN 10 HA ASN 10 19.589 -8.091 -2.046 58 HB2 ASN 10 HB2 ASN 10 21.743 -8.043 -3.190 59 HB3 ASN 10 HB3 ASN 10 21.192 -9.214 -4.381 60 HD21 ASN 10 HD21 ASN 10 21.429 -7.999 -6.207 61 HD22 ASN 10 HD22 ASN 10 20.610 -6.481 -6.514 62 H GLU 11 H GLU 11 18.030 -7.441 -3.935 63 HA GLU 11 HA GLU 11 16.028 -7.605 -4.783 64 HB2 GLU 11 HB2 GLU 11 17.467 -9.925 -5.986 65 HB3 GLU 11 HB3 GLU 11 15.808 -9.507 -6.451 66 HG2 GLU 11 HG2 GLU 11 16.617 -7.134 -6.880 67 HG3 GLU 11 HG3 GLU 11 18.259 -7.713 -6.639 68 H ASN 12 H ASN 12 16.305 -8.451 -2.199 69 HA ASN 12 HA ASN 12 14.440 -10.656 -1.632 70 HB2 ASN 12 HB2 ASN 12 16.325 -8.892 -0.038 71 HB3 ASN 12 HB3 ASN 12 15.007 -9.704 0.795 72 HD21 ASN 12 HD21 ASN 12 14.688 -12.039 0.353 73 HD22 ASN 12 HD22 ASN 12 16.158 -12.984 0.470 74 H ASP 13 H ASP 13 13.052 -8.935 -3.121 75 HA ASP 13 HA ASP 13 11.676 -6.914 -1.465 76 HB2 ASP 13 HB2 ASP 13 10.337 -6.477 -3.469 77 HB3 ASP 13 HB3 ASP 13 12.056 -6.436 -3.831 78 H THR 14 H THR 14 9.206 -6.969 -1.575 79 HA THR 14 HA THR 14 8.300 -9.233 -0.144 80 HB THR 14 HB THR 14 7.552 -6.879 0.123 81 HG1 THR 14 HG1 THR 14 6.401 -8.576 0.903 82 HG21 THR 14 HG21 THR 14 7.245 -6.106 -2.221 83 HG22 THR 14 HG22 THR 14 5.713 -5.967 -1.347 84 HG23 THR 14 HG23 THR 14 5.942 -7.279 -2.459 85 H SER 15 H SER 15 8.142 -8.422 -3.501 86 HA SER 15 HA SER 15 7.123 -9.225 -5.325 87 HB2 SER 15 HB2 SER 15 7.323 -11.634 -5.676 88 HB3 SER 15 HB3 SER 15 8.819 -10.804 -5.275 89 HG SER 15 HG SER 15 8.980 -11.888 -3.447 90 H GLU 16 H GLU 16 5.239 -8.216 -3.939 91 HA GLU 16 HA GLU 16 2.935 -9.961 -4.354 92 HB2 GLU 16 HB2 GLU 16 2.039 -9.841 -2.296 93 HB3 GLU 16 HB3 GLU 16 3.748 -9.898 -1.870 94 HG2 GLU 16 HG2 GLU 16 3.760 -7.479 -1.478 95 HG3 GLU 16 HG3 GLU 16 2.029 -7.420 -1.820 96 H THR 17 H THR 17 0.892 -8.399 -4.053 97 HA THR 17 HA THR 17 1.551 -5.832 -5.386 98 HB THR 17 HB THR 17 0.725 -7.664 -6.921 99 HG1 THR 17 HG1 THR 17 -0.441 -6.216 -8.026 100 HG21 THR 17 HG21 THR 17 -1.572 -8.343 -6.870 101 HG22 THR 17 HG22 THR 17 -1.978 -7.155 -5.620 102 HG23 THR 17 HG23 THR 17 -0.978 -8.556 -5.209 103 H MET 18 H MET 18 -0.460 -4.367 -5.296 104 HA MET 18 HA MET 18 -0.877 -3.718 -2.616 105 HB2 MET 18 HB2 MET 18 -2.270 -2.956 -5.191 106 HB3 MET 18 HB3 MET 18 -2.958 -2.412 -3.667 107 HG2 MET 18 HG2 MET 18 -0.025 -1.973 -4.114 108 HG3 MET 18 HG3 MET 18 -1.163 -0.990 -5.015 109 HE1 MET 18 HE1 MET 18 -2.958 -1.661 -1.593 110 HE2 MET 18 HE2 MET 18 -1.350 -2.287 -1.168 111 HE3 MET 18 HE3 MET 18 -1.950 -0.798 -0.429 112 H GLU 19 H GLU 19 -2.905 -5.721 -4.764 113 HA GLU 19 HA GLU 19 -5.206 -5.882 -3.116 114 HB2 GLU 19 HB2 GLU 19 -4.052 -8.009 -4.973 115 HB3 GLU 19 HB3 GLU 19 -5.695 -7.980 -4.318 116 HG2 GLU 19 HG2 GLU 19 -6.126 -5.842 -5.477 117 HG3 GLU 19 HG3 GLU 19 -4.527 -5.873 -6.195 118 H SER 20 H SER 20 -2.261 -7.936 -3.204 119 HA SER 20 HA SER 20 -2.998 -9.909 -1.359 120 HB2 SER 20 HB2 SER 20 -0.979 -9.924 -2.827 121 HB3 SER 20 HB3 SER 20 -0.250 -8.662 -1.819 122 HG SER 20 HG SER 20 0.338 -10.084 -0.455 123 H LEU 21 H LEU 21 -1.990 -6.571 -0.856 124 HA LEU 21 HA LEU 21 -1.468 -6.894 1.978 125 HB2 LEU 21 HB2 LEU 21 -2.177 -4.345 0.438 126 HB3 LEU 21 HB3 LEU 21 -1.491 -4.435 2.033 127 HG LEU 21 HG LEU 21 -0.238 -4.857 -0.661 128 HD11 LEU 21 HD11 LEU 21 1.389 -3.311 0.282 129 HD12 LEU 21 HD12 LEU 21 0.690 -3.496 1.904 130 HD13 LEU 21 HD13 LEU 21 -0.264 -2.737 0.631 131 HD21 LEU 21 HD21 LEU 21 0.845 -6.046 1.910 132 HD22 LEU 21 HD22 LEU 21 1.792 -5.792 0.414 133 HD23 LEU 21 HD23 LEU 21 0.427 -6.899 0.410 134 H ILE 22 H ILE 22 -4.041 -5.352 0.083 135 HA ILE 22 HA ILE 22 -5.725 -4.739 2.239 136 HB ILE 22 HB ILE 22 -6.365 -5.306 -0.694 137 HG12 ILE 22 HG12 ILE 22 -5.946 -2.651 0.785 138 HG13 ILE 22 HG13 ILE 22 -4.700 -3.424 -0.186 139 HG21 ILE 22 HG21 ILE 22 -8.345 -5.513 0.692 140 HG22 ILE 22 HG22 ILE 22 -7.914 -4.038 1.575 141 HG23 ILE 22 HG23 ILE 22 -8.453 -3.974 -0.152 142 HD11 ILE 22 HD11 ILE 22 -6.193 -3.337 -2.174 143 HD12 ILE 22 HD12 ILE 22 -7.343 -2.371 -1.210 144 HD13 ILE 22 HD13 ILE 22 -5.716 -1.763 -1.556 145 H ASP 23 H ASP 23 -5.654 -7.633 0.187 146 HA ASP 23 HA ASP 23 -7.819 -9.107 1.078 147 HB2 ASP 23 HB2 ASP 23 -6.310 -9.608 -0.818 148 HB3 ASP 23 HB3 ASP 23 -5.006 -10.009 0.301 149 H LYS 24 H LYS 24 -4.698 -8.643 2.720 150 HA LYS 24 HA LYS 24 -5.506 -10.567 4.858 151 HB2 LYS 24 HB2 LYS 24 -3.317 -10.994 5.124 152 HB3 LYS 24 HB3 LYS 24 -3.135 -10.222 3.579 153 HG2 LYS 24 HG2 LYS 24 -1.552 -9.078 4.673 154 HG3 LYS 24 HG3 LYS 24 -2.844 -7.999 5.036 155 HD2 LYS 24 HD2 LYS 24 -2.789 -10.046 7.115 156 HD3 LYS 24 HD3 LYS 24 -1.143 -9.480 6.833 157 HE2 LYS 24 HE2 LYS 24 -2.138 -7.076 7.146 158 HE3 LYS 24 HE3 LYS 24 -3.569 -7.878 7.741 159 HZ1 LYS 24 HZ1 LYS 24 -0.871 -8.172 8.858 160 HZ2 LYS 24 HZ2 LYS 24 -2.222 -8.843 9.512 161 HZ3 LYS 24 HZ3 LYS 24 -2.047 -7.216 9.473 162 H GLY 25 H GLY 25 -5.551 -7.172 4.242 163 HA2 GLY 25 HA2 GLY 25 -6.554 -5.661 5.710 164 HA3 GLY 25 HA3 GLY 25 -6.173 -6.692 7.089 165 H LYS 26 H LYS 26 -3.895 -5.689 4.477 166 HA LYS 26 HA LYS 26 -2.044 -4.577 6.562 167 HB2 LYS 26 HB2 LYS 26 -1.636 -5.759 3.851 168 HB3 LYS 26 HB3 LYS 26 -0.593 -4.397 4.247 169 HG2 LYS 26 HG2 LYS 26 0.032 -5.527 6.347 170 HG3 LYS 26 HG3 LYS 26 -0.892 -6.929 5.792 171 HD2 LYS 26 HD2 LYS 26 1.330 -5.815 4.066 172 HD3 LYS 26 HD3 LYS 26 1.703 -6.865 5.436 173 HE2 LYS 26 HE2 LYS 26 0.263 -8.610 4.618 174 HE3 LYS 26 HE3 LYS 26 -0.287 -7.633 3.256 175 HZ1 LYS 26 HZ1 LYS 26 1.978 -7.832 2.330 176 HZ2 LYS 26 HZ2 LYS 26 1.368 -9.269 2.652 177 HZ3 LYS 26 HZ3 LYS 26 2.457 -8.663 3.670 178 H LEU 27 H LEU 27 -3.931 -3.009 6.687 179 HA LEU 27 HA LEU 27 -4.086 -0.913 4.655 180 HB2 LEU 27 HB2 LEU 27 -5.147 -1.158 7.504 181 HB3 LEU 27 HB3 LEU 27 -5.470 0.190 6.467 182 HG LEU 27 HG LEU 27 -7.412 -1.110 6.342 183 HD11 LEU 27 HD11 LEU 27 -7.562 -2.091 4.059 184 HD12 LEU 27 HD12 LEU 27 -5.801 -1.988 3.895 185 HD13 LEU 27 HD13 LEU 27 -6.782 -0.511 4.043 186 HD21 LEU 27 HD21 LEU 27 -6.299 -3.238 7.270 187 HD22 LEU 27 HD22 LEU 27 -5.901 -3.589 5.567 188 HD23 LEU 27 HD23 LEU 27 -7.584 -3.456 6.071 189 H ASP 28 H ASP 28 -1.765 -1.604 6.826 190 HA ASP 28 HA ASP 28 -0.956 1.189 7.464 191 HB2 ASP 28 HB2 ASP 28 -0.237 -1.529 8.606 192 HB3 ASP 28 HB3 ASP 28 0.819 -0.156 8.866 193 H GLN 29 H GLN 29 -0.433 -0.869 4.873 194 HA GLN 29 HA GLN 29 2.084 0.448 4.274 195 HB2 GLN 29 HB2 GLN 29 3.221 -1.765 3.779 196 HB3 GLN 29 HB3 GLN 29 3.043 -1.272 5.450 197 HG2 GLN 29 HG2 GLN 29 0.894 -2.858 5.362 198 HG3 GLN 29 HG3 GLN 29 1.826 -3.573 4.028 199 HE21 GLN 29 HE21 GLN 29 4.445 -3.345 5.020 200 HE22 GLN 29 HE22 GLN 29 4.622 -4.272 6.487 201 H VAL 30 H VAL 30 2.745 -0.080 1.990 202 HA VAL 30 HA VAL 30 0.510 -0.932 0.219 203 HB VAL 30 HB VAL 30 0.717 1.039 -1.170 204 HG11 VAL 30 HG11 VAL 30 -1.030 0.913 0.639 205 HG12 VAL 30 HG12 VAL 30 0.031 1.882 1.665 206 HG13 VAL 30 HG13 VAL 30 -0.588 2.546 0.127 207 HG21 VAL 30 HG21 VAL 30 2.384 2.304 1.030 208 HG22 VAL 30 HG22 VAL 30 3.040 1.704 -0.514 209 HG23 VAL 30 HG23 VAL 30 1.868 2.996 -0.536 210 H VAL 31 H VAL 31 1.305 -1.037 -2.211 211 HA VAL 31 HA VAL 31 4.133 -1.601 -2.264 212 HB VAL 31 HB VAL 31 2.301 -3.018 -4.164 213 HG11 VAL 31 HG11 VAL 31 3.867 -4.694 -4.235 214 HG12 VAL 31 HG12 VAL 31 4.670 -3.137 -4.489 215 HG13 VAL 31 HG13 VAL 31 4.807 -3.980 -2.908 216 HG21 VAL 31 HG21 VAL 31 1.288 -3.683 -2.017 217 HG22 VAL 31 HG22 VAL 31 2.225 -5.031 -2.700 218 HG23 VAL 31 HG23 VAL 31 2.920 -4.075 -1.405 219 H TYR 32 H TYR 32 5.158 -0.882 -4.181 220 HA TYR 32 HA TYR 32 3.754 0.261 -6.422 221 HB2 TYR 32 HB2 TYR 32 3.545 2.278 -5.141 222 HB3 TYR 32 HB3 TYR 32 5.162 2.077 -4.464 223 HD1 TYR 32 HD1 TYR 32 3.798 2.181 -8.018 224 HD2 TYR 32 HD2 TYR 32 6.652 3.744 -5.186 225 HE1 TYR 32 HE1 TYR 32 4.936 3.403 -9.822 226 HE2 TYR 32 HE2 TYR 32 7.754 5.026 -6.951 227 HH TYR 32 HH TYR 32 6.832 4.613 -10.405 228 H ASP 33 H ASP 33 5.109 0.057 -8.120 229 HA ASP 33 HA ASP 33 6.806 -0.694 -9.355 230 HB2 ASP 33 HB2 ASP 33 7.634 1.551 -8.585 231 HB3 ASP 33 HB3 ASP 33 8.631 0.734 -7.396 232 H ASP 34 H ASP 34 5.889 -2.501 -7.406 233 HA ASP 34 HA ASP 34 6.342 -4.603 -6.619 234 HB2 ASP 34 HB2 ASP 34 7.643 -4.592 -8.822 235 HB3 ASP 34 HB3 ASP 34 9.102 -4.388 -7.826 236 H GLN 35 H GLN 35 6.985 -2.215 -5.028 237 HA GLN 35 HA GLN 35 8.964 -3.455 -3.153 238 HB2 GLN 35 HB2 GLN 35 8.622 -0.466 -3.515 239 HB3 GLN 35 HB3 GLN 35 9.775 -1.308 -2.503 240 HG2 GLN 35 HG2 GLN 35 9.773 -0.891 -5.478 241 HG3 GLN 35 HG3 GLN 35 10.962 -0.506 -4.271 242 HE21 GLN 35 HE21 GLN 35 11.326 -3.078 -3.003 243 HE22 GLN 35 HE22 GLN 35 12.037 -4.100 -4.263 244 H LEU 36 H LEU 36 8.553 -3.064 -1.019 245 HA LEU 36 HA LEU 36 5.726 -2.405 -0.401 246 HB2 LEU 36 HB2 LEU 36 6.827 -4.727 0.052 247 HB3 LEU 36 HB3 LEU 36 7.651 -3.933 1.365 248 HG LEU 36 HG LEU 36 5.427 -3.376 2.392 249 HD11 LEU 36 HD11 LEU 36 3.400 -4.462 1.628 250 HD12 LEU 36 HD12 LEU 36 4.245 -5.127 0.218 251 HD13 LEU 36 HD13 LEU 36 4.004 -3.374 0.377 252 HD21 LEU 36 HD21 LEU 36 5.855 -6.302 1.659 253 HD22 LEU 36 HD22 LEU 36 4.915 -5.737 3.049 254 HD23 LEU 36 HD23 LEU 36 6.668 -5.458 2.983 255 H TYR 37 H TYR 37 5.310 -0.705 0.761 256 HA TYR 37 HA TYR 37 7.508 0.614 2.279 257 HB2 TYR 37 HB2 TYR 37 5.184 2.110 1.080 258 HB3 TYR 37 HB3 TYR 37 6.680 2.748 1.751 259 HD1 TYR 37 HD1 TYR 37 8.727 1.056 0.260 260 HD2 TYR 37 HD2 TYR 37 5.170 3.134 -0.976 261 HE1 TYR 37 HE1 TYR 37 9.723 1.432 -1.986 262 HE2 TYR 37 HE2 TYR 37 6.188 3.591 -3.160 263 HH TYR 37 HH TYR 37 9.564 2.507 -3.926 264 H HIS 38 H HIS 38 7.056 1.093 4.408 265 HA HIS 38 HA HIS 38 4.483 0.322 5.566 266 HB2 HIS 38 HB2 HIS 38 7.285 0.190 6.254 267 HB3 HIS 38 HB3 HIS 38 6.599 1.259 7.388 268 HD1 HIS 38 HD1 HIS 38 7.596 -1.671 8.214 269 HD2 HIS 38 HD2 HIS 38 3.620 -0.362 7.483 270 HE1 HIS 38 HE1 HIS 38 6.077 -3.250 9.492 271 H LEU 39 H LEU 39 3.022 1.897 6.249 272 HA LEU 39 HA LEU 39 3.704 4.713 5.795 273 HB2 LEU 39 HB2 LEU 39 1.316 3.522 7.233 274 HB3 LEU 39 HB3 LEU 39 1.449 5.167 6.598 275 HG LEU 39 HG LEU 39 1.410 2.577 4.981 276 HD11 LEU 39 HD11 LEU 39 -0.679 4.800 5.079 277 HD12 LEU 39 HD12 LEU 39 -0.771 3.301 6.030 278 HD13 LEU 39 HD13 LEU 39 -0.802 3.211 4.274 279 HD21 LEU 39 HD21 LEU 39 1.170 4.101 2.976 280 HD22 LEU 39 HD22 LEU 39 2.735 4.229 3.771 281 HD23 LEU 39 HD23 LEU 39 1.510 5.490 4.030 282 H LYS 40 H LYS 40 4.134 6.272 7.366 283 HA LYS 40 HA LYS 40 4.527 5.290 10.181 284 HB2 LYS 40 HB2 LYS 40 6.252 7.383 8.785 285 HB3 LYS 40 HB3 LYS 40 6.508 6.665 10.373 286 HG2 LYS 40 HG2 LYS 40 6.668 5.266 7.679 287 HG3 LYS 40 HG3 LYS 40 8.044 5.770 8.636 288 HD2 LYS 40 HD2 LYS 40 6.047 3.835 9.862 289 HD3 LYS 40 HD3 LYS 40 7.191 3.262 8.680 290 HE2 LYS 40 HE2 LYS 40 9.069 3.997 9.994 291 HE3 LYS 40 HE3 LYS 40 8.023 4.828 11.154 292 HZ1 LYS 40 HZ1 LYS 40 7.256 2.769 11.971 293 HZ2 LYS 40 HZ2 LYS 40 8.895 2.510 11.733 294 HZ3 LYS 40 HZ3 LYS 40 7.801 1.930 10.692 295 H GLU 41 H GLU 41 4.238 8.269 8.280 296 HA GLU 41 HA GLU 41 2.177 9.177 10.242 297 HB2 GLU 41 HB2 GLU 41 3.193 11.207 10.875 298 HB3 GLU 41 HB3 GLU 41 4.433 9.984 11.076 299 HG2 GLU 41 HG2 GLU 41 5.231 10.668 8.714 300 HG3 GLU 41 HG3 GLU 41 4.171 12.054 8.866 301 H LYS 42 H LYS 42 1.180 11.231 9.706 302 HA LYS 42 HA LYS 42 0.577 11.365 6.820 303 HB2 LYS 42 HB2 LYS 42 -1.170 11.212 8.757 304 HB3 LYS 42 HB3 LYS 42 -0.852 12.928 9.004 305 HG2 LYS 42 HG2 LYS 42 -1.518 11.822 6.247 306 HG3 LYS 42 HG3 LYS 42 -2.797 12.051 7.401 307 HD2 LYS 42 HD2 LYS 42 -0.978 14.388 6.860 308 HD3 LYS 42 HD3 LYS 42 -2.154 13.913 5.635 309 HE2 LYS 42 HE2 LYS 42 -3.720 13.872 7.894 310 HE3 LYS 42 HE3 LYS 42 -2.571 15.137 8.332 311 HZ1 LYS 42 HZ1 LYS 42 -4.406 15.013 6.048 312 HZ2 LYS 42 HZ2 LYS 42 -3.203 16.185 6.144 313 HZ3 LYS 42 HZ3 LYS 42 -4.420 16.103 7.250 314 H VAL 43 H VAL 43 0.997 13.288 5.635 315 HA VAL 43 HA VAL 43 2.474 15.452 7.005 316 HB VAL 43 HB VAL 43 4.187 15.386 5.319 317 HG11 VAL 43 HG11 VAL 43 3.916 12.496 6.243 318 HG12 VAL 43 HG12 VAL 43 5.386 13.391 5.827 319 HG13 VAL 43 HG13 VAL 43 4.465 13.829 7.275 320 HG21 VAL 43 HG21 VAL 43 2.792 12.985 4.071 321 HG22 VAL 43 HG22 VAL 43 2.928 14.607 3.355 322 HG23 VAL 43 HG23 VAL 43 4.378 13.638 3.623 323 H ASP 44 H ASP 44 2.718 17.338 5.410 324 HA ASP 44 HA ASP 44 0.113 17.725 4.071 325 HB2 ASP 44 HB2 ASP 44 1.399 19.363 5.822 326 HB3 ASP 44 HB3 ASP 44 2.046 19.990 4.314 327 H GLU 45 H GLU 45 0.335 19.343 2.081 328 HA GLU 45 HA GLU 45 1.767 17.869 0.078 329 HB2 GLU 45 HB2 GLU 45 0.719 19.360 -1.490 330 HB3 GLU 45 HB3 GLU 45 -0.470 18.873 -0.289 331 HG2 GLU 45 HG2 GLU 45 0.022 21.043 0.966 332 HG3 GLU 45 HG3 GLU 45 1.031 21.530 -0.361 333 H ASP 46 H ASP 46 2.593 20.412 2.171 334 HA ASP 46 HA ASP 46 4.632 21.629 0.427 335 HB2 ASP 46 HB2 ASP 46 3.785 21.892 3.349 336 HB3 ASP 46 HB3 ASP 46 5.317 22.571 2.811 337 H LYS 47 H LYS 47 4.333 18.804 2.323 338 HA LYS 47 HA LYS 47 7.188 18.661 3.019 339 HB2 LYS 47 HB2 LYS 47 5.088 16.521 3.466 340 HB3 LYS 47 HB3 LYS 47 6.609 16.765 4.326 341 HG2 LYS 47 HG2 LYS 47 4.079 18.428 4.456 342 HG3 LYS 47 HG3 LYS 47 4.847 17.553 5.784 343 HD2 LYS 47 HD2 LYS 47 6.851 19.228 5.300 344 HD3 LYS 47 HD3 LYS 47 5.557 20.173 4.501 345 HE2 LYS 47 HE2 LYS 47 4.335 20.452 6.447 346 HE3 LYS 47 HE3 LYS 47 5.321 19.306 7.367 347 HZ1 LYS 47 HZ1 LYS 47 5.768 21.865 7.505 348 HZ2 LYS 47 HZ2 LYS 47 6.636 21.620 6.136 349 HZ3 LYS 47 HZ3 LYS 47 7.048 20.779 7.468 350 H LYS 48 H LYS 48 5.066 17.650 0.459 351 HA LYS 48 HA LYS 48 6.753 15.506 -0.479 352 HB2 LYS 48 HB2 LYS 48 5.180 15.256 -2.128 353 HB3 LYS 48 HB3 LYS 48 4.207 15.986 -0.893 354 HG2 LYS 48 HG2 LYS 48 4.868 18.232 -2.279 355 HG3 LYS 48 HG3 LYS 48 5.121 17.045 -3.558 356 HD2 LYS 48 HD2 LYS 48 2.727 16.269 -3.116 357 HD3 LYS 48 HD3 LYS 48 2.601 17.569 -1.941 358 HE2 LYS 48 HE2 LYS 48 3.335 19.176 -3.774 359 HE3 LYS 48 HE3 LYS 48 3.115 17.857 -4.927 360 HZ1 LYS 48 HZ1 LYS 48 1.019 19.028 -3.195 361 HZ2 LYS 48 HZ2 LYS 48 0.753 17.825 -4.328 362 HZ3 LYS 48 HZ3 LYS 48 1.208 19.339 -4.755 363 H GLY 49 H GLY 49 8.492 15.728 -1.733 364 HA2 GLY 49 HA2 GLY 49 9.515 18.474 -2.279 365 HA3 GLY 49 HA3 GLY 49 10.449 17.004 -2.281 366 H LYS 50 H LYS 50 8.893 15.341 -3.902 367 HA LYS 50 HA LYS 50 8.044 16.678 -6.343 368 HB2 LYS 50 HB2 LYS 50 9.824 15.435 -7.651 369 HB3 LYS 50 HB3 LYS 50 10.377 16.820 -6.720 370 HG2 LYS 50 HG2 LYS 50 11.342 15.447 -5.013 371 HG3 LYS 50 HG3 LYS 50 10.623 13.968 -5.675 372 HD2 LYS 50 HD2 LYS 50 12.723 15.637 -7.088 373 HD3 LYS 50 HD3 LYS 50 13.049 14.180 -6.145 374 HE2 LYS 50 HE2 LYS 50 11.571 12.868 -7.675 375 HE3 LYS 50 HE3 LYS 50 11.269 14.342 -8.618 376 HZ1 LYS 50 HZ1 LYS 50 13.749 14.392 -8.937 377 HZ2 LYS 50 HZ2 LYS 50 12.923 13.235 -9.756 378 HZ3 LYS 50 HZ3 LYS 50 13.777 12.832 -8.413 379 H VAL 51 H VAL 51 6.981 15.228 -7.778 380 HA VAL 51 HA VAL 51 5.887 12.791 -6.607 381 HB VAL 51 HB VAL 51 5.627 14.227 -9.263 382 HG11 VAL 51 HG11 VAL 51 4.229 11.604 -8.539 383 HG12 VAL 51 HG12 VAL 51 3.946 12.598 -9.988 384 HG13 VAL 51 HG13 VAL 51 5.474 11.778 -9.795 385 HG21 VAL 51 HG21 VAL 51 4.344 15.077 -7.280 386 HG22 VAL 51 HG22 VAL 51 3.325 14.552 -8.621 387 HG23 VAL 51 HG23 VAL 51 3.519 13.499 -7.206 388 H ILE 52 H ILE 52 6.346 10.669 -7.340 389 HA ILE 52 HA ILE 52 8.706 10.258 -9.119 390 HB ILE 52 HB ILE 52 9.497 8.464 -7.614 391 HG12 ILE 52 HG12 ILE 52 7.548 9.625 -5.567 392 HG13 ILE 52 HG13 ILE 52 7.363 8.072 -6.381 393 HG21 ILE 52 HG21 ILE 52 10.478 10.762 -7.645 394 HG22 ILE 52 HG22 ILE 52 9.473 11.182 -6.236 395 HG23 ILE 52 HG23 ILE 52 10.716 9.903 -6.137 396 HD11 ILE 52 HD11 ILE 52 8.224 7.691 -4.191 397 HD12 ILE 52 HD12 ILE 52 9.497 7.295 -5.349 398 HD13 ILE 52 HD13 ILE 52 9.572 8.810 -4.427 399 H GLY 53 H GLY 53 5.511 9.210 -8.050 400 HA2 GLY 53 HA2 GLY 53 5.118 7.623 -10.366 401 HA3 GLY 53 HA3 GLY 53 5.432 6.612 -8.940 402 H ALA 54 H ALA 54 2.987 6.025 -9.423 403 HA ALA 54 HA ALA 54 1.372 7.509 -7.582 404 HB1 ALA 54 HB1 ALA 54 -0.482 7.796 -9.214 405 HB2 ALA 54 HB2 ALA 54 0.953 8.625 -9.866 406 HB3 ALA 54 HB3 ALA 54 0.503 7.046 -10.480 407 H ILE 55 H ILE 55 -0.162 6.099 -6.604 408 HA ILE 55 HA ILE 55 0.144 3.250 -7.310 409 HB ILE 55 HB ILE 55 -1.391 4.757 -5.150 410 HG12 ILE 55 HG12 ILE 55 0.844 2.677 -5.032 411 HG13 ILE 55 HG13 ILE 55 1.021 4.416 -4.780 412 HG21 ILE 55 HG21 ILE 55 -2.858 2.990 -5.851 413 HG22 ILE 55 HG22 ILE 55 -1.535 1.787 -5.751 414 HG23 ILE 55 HG23 ILE 55 -2.181 2.579 -4.298 415 HD11 ILE 55 HD11 ILE 55 0.933 3.484 -2.603 416 HD12 ILE 55 HD12 ILE 55 -0.673 4.188 -2.861 417 HD13 ILE 55 HD13 ILE 55 -0.416 2.430 -2.992 418 H GLY 56 H GLY 56 -2.361 5.802 -7.222 419 HA2 GLY 56 HA2 GLY 56 -4.397 6.047 -8.302 420 HA3 GLY 56 HA3 GLY 56 -3.492 5.476 -9.704 421 H GLN 57 H GLN 57 -4.928 4.013 -6.724 422 HA GLN 57 HA GLN 57 -6.355 2.029 -8.412 423 HB2 GLN 57 HB2 GLN 57 -4.687 1.466 -5.921 424 HB3 GLN 57 HB3 GLN 57 -5.796 0.331 -6.663 425 HG2 GLN 57 HG2 GLN 57 -4.163 1.056 -8.809 426 HG3 GLN 57 HG3 GLN 57 -3.040 1.053 -7.452 427 HE21 GLN 57 HE21 GLN 57 -2.018 -0.998 -7.300 428 HE22 GLN 57 HE22 GLN 57 -2.843 -2.496 -7.649 429 H THR 58 H THR 58 -8.126 0.937 -7.147 430 HA THR 58 HA THR 58 -8.995 2.277 -4.724 431 HB THR 58 HB THR 58 -10.901 2.171 -7.083 432 HG1 THR 58 HG1 THR 58 -9.251 4.353 -6.271 433 HG21 THR 58 HG21 THR 58 -12.072 3.944 -5.662 434 HG22 THR 58 HG22 THR 58 -10.921 3.533 -4.358 435 HG23 THR 58 HG23 THR 58 -12.028 2.308 -5.008 436 H PHE 59 H PHE 59 -10.004 0.753 -3.417 437 HA PHE 59 HA PHE 59 -11.198 -1.652 -4.604 438 HB2 PHE 59 HB2 PHE 59 -8.967 -1.804 -2.545 439 HB3 PHE 59 HB3 PHE 59 -9.937 -3.143 -3.106 440 HD1 PHE 59 HD1 PHE 59 -9.793 -3.853 -5.585 441 HD2 PHE 59 HD2 PHE 59 -6.945 -1.218 -3.671 442 HE1 PHE 59 HE1 PHE 59 -8.065 -4.476 -7.248 443 HE2 PHE 59 HE2 PHE 59 -5.237 -1.884 -5.288 444 HZ PHE 59 HZ PHE 59 -5.789 -3.517 -7.096 445 H PHE 60 H PHE 60 -12.131 -3.041 -2.602 446 HA PHE 60 HA PHE 60 -12.985 -1.277 -0.379 447 HB2 PHE 60 HB2 PHE 60 -14.837 -3.027 -2.050 448 HB3 PHE 60 HB3 PHE 60 -15.292 -2.078 -0.654 449 HD1 PHE 60 HD1 PHE 60 -14.362 -1.977 -4.241 450 HD2 PHE 60 HD2 PHE 60 -15.666 0.363 -0.854 451 HE1 PHE 60 HE1 PHE 60 -14.951 -0.132 -5.745 452 HE2 PHE 60 HE2 PHE 60 -16.336 2.196 -2.379 453 HZ PHE 60 HZ PHE 60 -15.972 1.962 -4.841 454 H VAL 61 H VAL 61 -13.525 -2.504 1.594 455 HA VAL 61 HA VAL 61 -13.302 -5.446 1.433 456 HB VAL 61 HB VAL 61 -11.971 -5.575 3.438 457 HG11 VAL 61 HG11 VAL 61 -10.556 -4.000 1.273 458 HG12 VAL 61 HG12 VAL 61 -9.828 -5.067 2.514 459 HG13 VAL 61 HG13 VAL 61 -10.877 -5.752 1.279 460 HG21 VAL 61 HG21 VAL 61 -10.724 -3.652 4.285 461 HG22 VAL 61 HG22 VAL 61 -11.614 -2.571 3.175 462 HG23 VAL 61 HG23 VAL 61 -12.475 -3.461 4.469 463 H ASP 62 H ASP 62 -14.242 -6.532 3.285 464 HA ASP 62 HA ASP 62 -16.482 -5.034 4.443 465 HB2 ASP 62 HB2 ASP 62 -17.422 -7.185 4.927 466 HB3 ASP 62 HB3 ASP 62 -16.876 -7.212 3.259 467 H GLY 63 H GLY 63 -17.066 -6.189 6.746 468 HA2 GLY 63 HA2 GLY 63 -15.399 -4.855 8.597 469 HA3 GLY 63 HA3 GLY 63 -16.664 -6.039 8.939 470 H ASP 64 H ASP 64 -15.214 -8.131 7.204 471 HA ASP 64 HA ASP 64 -13.510 -9.116 9.366 472 HB2 ASP 64 HB2 ASP 64 -15.245 -10.530 8.260 473 HB3 ASP 64 HB3 ASP 64 -14.334 -10.431 6.752 474 H GLY 65 H GLY 65 -13.176 -7.628 6.289 475 HA2 GLY 65 HA2 GLY 65 -11.205 -6.568 5.515 476 HA3 GLY 65 HA3 GLY 65 -10.198 -7.675 6.447 477 H LYS 66 H LYS 66 -12.926 -8.607 4.382 478 HA LYS 66 HA LYS 66 -11.092 -10.282 2.719 479 HB2 LYS 66 HB2 LYS 66 -14.058 -10.286 3.281 480 HB3 LYS 66 HB3 LYS 66 -13.418 -11.091 1.848 481 HG2 LYS 66 HG2 LYS 66 -12.263 -11.594 4.622 482 HG3 LYS 66 HG3 LYS 66 -13.630 -12.521 3.995 483 HD2 LYS 66 HD2 LYS 66 -12.401 -13.456 2.226 484 HD3 LYS 66 HD3 LYS 66 -11.077 -12.309 2.329 485 HE2 LYS 66 HE2 LYS 66 -11.729 -14.172 4.596 486 HE3 LYS 66 HE3 LYS 66 -10.707 -14.635 3.207 487 HZ1 LYS 66 HZ1 LYS 66 -10.054 -12.497 5.137 488 HZ2 LYS 66 HZ2 LYS 66 -9.201 -12.897 3.754 489 HZ3 LYS 66 HZ3 LYS 66 -9.303 -13.945 4.948 490 H ARG 67 H ARG 67 -10.801 -9.701 0.582 491 HA ARG 67 HA ARG 67 -11.482 -7.029 -0.295 492 HB2 ARG 67 HB2 ARG 67 -9.530 -8.953 -0.934 493 HB3 ARG 67 HB3 ARG 67 -10.560 -8.985 -2.352 494 HG2 ARG 67 HG2 ARG 67 -9.158 -6.581 -1.134 495 HG3 ARG 67 HG3 ARG 67 -8.674 -7.444 -2.586 496 HD2 ARG 67 HD2 ARG 67 -11.231 -5.830 -2.212 497 HD3 ARG 67 HD3 ARG 67 -9.813 -5.320 -3.104 498 HE ARG 67 HE ARG 67 -11.927 -7.087 -3.976 499 HH11 ARG 67 HH11 ARG 67 -8.537 -6.268 -4.589 500 HH12 ARG 67 HH12 ARG 67 -8.506 -6.969 -6.186 501 HH21 ARG 67 HH21 ARG 67 -11.807 -8.290 -5.946 502 HH22 ARG 67 HH22 ARG 67 -10.331 -8.289 -6.823 503 H TRP 68 H TRP 68 -13.442 -6.430 -1.194 504 HA TRP 68 HA TRP 68 -15.478 -8.401 -1.750 505 HB2 TRP 68 HB2 TRP 68 -15.181 -5.418 -2.317 506 HB3 TRP 68 HB3 TRP 68 -16.528 -6.332 -2.943 507 HD1 TRP 68 HD1 TRP 68 -15.092 -5.742 0.616 508 HE1 TRP 68 HE1 TRP 68 -17.086 -5.470 2.232 509 HE3 TRP 68 HE3 TRP 68 -18.937 -6.577 -2.624 510 HZ2 TRP 68 HZ2 TRP 68 -19.931 -5.599 2.144 511 HZ3 TRP 68 HZ3 TRP 68 -21.280 -6.681 -1.804 512 HH2 TRP 68 HH2 TRP 68 -21.785 -6.183 0.588 513 H SER 69 H SER 69 -16.376 -8.939 -3.803 514 HA SER 69 HA SER 69 -14.478 -8.739 -6.106 515 HB2 SER 69 HB2 SER 69 -16.692 -10.720 -5.451 516 HB3 SER 69 HB3 SER 69 -15.866 -10.649 -7.021 517 HG SER 69 HG SER 69 -14.878 -12.156 -5.579 518 H GLU 70 H GLU 70 -15.254 -8.095 -8.191 519 HA GLU 70 HA GLU 70 -16.967 -5.871 -8.202 520 HB2 GLU 70 HB2 GLU 70 -16.005 -7.709 -10.383 521 HB3 GLU 70 HB3 GLU 70 -17.070 -6.342 -10.741 522 HG2 GLU 70 HG2 GLU 70 -15.492 -4.760 -9.767 523 HG3 GLU 70 HG3 GLU 70 -14.401 -6.075 -9.314 524 H GLU 71 H GLU 71 -17.823 -9.234 -8.494 525 HA GLU 71 HA GLU 71 -20.425 -9.017 -9.650 526 HB2 GLU 71 HB2 GLU 71 -19.222 -11.083 -7.752 527 HB3 GLU 71 HB3 GLU 71 -20.616 -11.332 -8.816 528 HG2 GLU 71 HG2 GLU 71 -19.218 -11.211 -10.786 529 HG3 GLU 71 HG3 GLU 71 -17.844 -10.597 -9.900 530 H GLU 72 H GLU 72 -19.228 -9.359 -6.271 531 HA GLU 72 HA GLU 72 -21.731 -9.136 -4.947 532 HB2 GLU 72 HB2 GLU 72 -18.973 -8.251 -4.035 533 HB3 GLU 72 HB3 GLU 72 -20.331 -8.661 -2.978 534 HG2 GLU 72 HG2 GLU 72 -20.156 -10.997 -3.528 535 HG3 GLU 72 HG3 GLU 72 -19.000 -10.687 -4.829 536 H LEU 73 H LEU 73 -19.388 -6.828 -6.195 537 HA LEU 73 HA LEU 73 -20.642 -4.476 -5.019 538 HB2 LEU 73 HB2 LEU 73 -18.526 -4.782 -7.170 539 HB3 LEU 73 HB3 LEU 73 -19.034 -3.236 -6.521 540 HG LEU 73 HG LEU 73 -17.858 -5.454 -4.779 541 HD11 LEU 73 HD11 LEU 73 -15.765 -4.155 -4.827 542 HD12 LEU 73 HD12 LEU 73 -16.481 -3.030 -6.013 543 HD13 LEU 73 HD13 LEU 73 -16.200 -4.731 -6.432 544 HD21 LEU 73 HD21 LEU 73 -19.220 -3.858 -3.544 545 HD22 LEU 73 HD22 LEU 73 -18.328 -2.498 -4.295 546 HD23 LEU 73 HD23 LEU 73 -17.511 -3.621 -3.172 547 H LYS 74 H LYS 74 -21.301 -6.365 -7.883 548 HA LYS 74 HA LYS 74 -22.713 -4.062 -9.103 549 HB2 LYS 74 HB2 LYS 74 -22.613 -4.993 -11.165 550 HB3 LYS 74 HB3 LYS 74 -21.107 -5.562 -10.479 551 HG2 LYS 74 HG2 LYS 74 -22.421 -7.735 -9.910 552 HG3 LYS 74 HG3 LYS 74 -23.671 -7.125 -10.984 553 HD2 LYS 74 HD2 LYS 74 -20.750 -7.567 -11.727 554 HD3 LYS 74 HD3 LYS 74 -22.033 -8.733 -12.025 555 HE2 LYS 74 HE2 LYS 74 -22.001 -5.901 -13.175 556 HE3 LYS 74 HE3 LYS 74 -21.374 -7.327 -14.009 557 HZ1 LYS 74 HZ1 LYS 74 -23.591 -8.308 -13.871 558 HZ2 LYS 74 HZ2 LYS 74 -23.542 -6.938 -14.759 559 HZ3 LYS 74 HZ3 LYS 74 -24.204 -6.913 -13.252 560 H GLU 75 H GLU 75 -23.394 -7.025 -7.359 561 HA GLU 75 HA GLU 75 -26.074 -7.238 -8.386 562 HB2 GLU 75 HB2 GLU 75 -26.496 -8.879 -6.702 563 HB3 GLU 75 HB3 GLU 75 -24.899 -9.155 -7.387 564 HG2 GLU 75 HG2 GLU 75 -23.875 -8.043 -5.567 565 HG3 GLU 75 HG3 GLU 75 -25.391 -7.582 -4.821 566 HA PRO 76 HA PRO 76 -27.831 -4.051 -5.846 567 HB2 PRO 76 HB2 PRO 76 -30.394 -4.858 -5.443 568 HB3 PRO 76 HB3 PRO 76 -29.786 -4.261 -7.017 569 HG2 PRO 76 HG2 PRO 76 -30.433 -7.075 -6.210 570 HG3 PRO 76 HG3 PRO 76 -30.435 -6.342 -7.841 571 HD2 PRO 76 HD2 PRO 76 -28.400 -7.930 -6.600 572 HD3 PRO 76 HD3 PRO 76 -28.246 -7.113 -8.173 573 H TYR 77 H TYR 77 -26.922 -4.034 -3.876 574 HA TYR 77 HA TYR 77 -26.770 -6.218 -2.058 575 HB2 TYR 77 HB2 TYR 77 -26.754 -3.408 -1.008 576 HB3 TYR 77 HB3 TYR 77 -25.831 -4.811 -0.524 577 HD1 TYR 77 HD2 TYR 77 -23.775 -5.458 -1.863 578 HD2 TYR 77 HD1 TYR 77 -26.140 -1.955 -2.772 579 HE1 TYR 77 HE2 TYR 77 -21.941 -4.566 -3.200 580 HE2 TYR 77 HE1 TYR 77 -24.367 -1.104 -4.190 581 HH TYR 77 HH TYR 77 -21.968 -2.671 -5.437 582 H ILE 78 H ILE 78 -29.214 -3.870 -2.580 583 HA ILE 78 HA ILE 78 -30.527 -3.921 0.002 584 HB ILE 78 HB ILE 78 -32.545 -3.081 -1.104 585 HG12 ILE 78 HG12 ILE 78 -31.002 -3.265 -3.729 586 HG13 ILE 78 HG13 ILE 78 -32.349 -4.309 -3.259 587 HG21 ILE 78 HG21 ILE 78 -31.641 -0.907 -1.651 588 HG22 ILE 78 HG22 ILE 78 -30.649 -1.606 -0.377 589 HG23 ILE 78 HG23 ILE 78 -30.057 -1.601 -2.055 590 HD11 ILE 78 HD11 ILE 78 -33.833 -2.320 -3.096 591 HD12 ILE 78 HD12 ILE 78 -32.507 -1.314 -3.737 592 HD13 ILE 78 HD13 ILE 78 -33.196 -2.612 -4.728 593 H SER 79 H SER 79 -32.051 -5.273 0.885 594 HA SER 79 HA SER 79 -33.360 -7.366 -0.571 595 HB2 SER 79 HB2 SER 79 -30.939 -8.208 -0.272 596 HB3 SER 79 HB3 SER 79 -31.230 -8.186 1.470 597 HG SER 79 HG SER 79 -31.736 -10.103 -0.172 598 H ASN 80 H ASN 80 -34.428 -8.795 1.147 599 HA ASN 80 HA ASN 80 -35.602 -7.100 3.295 600 HB2 ASN 80 HB2 ASN 80 -36.423 -9.683 1.902 601 HB3 ASN 80 HB3 ASN 80 -37.158 -9.209 3.421 602 HD21 ASN 80 HD21 ASN 80 -38.612 -7.424 3.514 603 HD22 ASN 80 HD22 ASN 80 -39.158 -6.659 2.021 604 H ASN 81 H ASN 81 -32.926 -8.855 3.101 605 HA ASN 81 HA ASN 81 -33.136 -10.352 5.641 606 HB2 ASN 81 HB2 ASN 81 -31.216 -10.579 3.310 607 HB3 ASN 81 HB3 ASN 81 -31.041 -11.415 4.862 608 HD21 ASN 81 HD21 ASN 81 -31.074 -12.714 2.460 609 HD22 ASN 81 HD22 ASN 81 -32.505 -13.739 2.390 610 HA PRO 82 HA PRO 82 -30.658 -6.538 6.412 611 HB2 PRO 82 HB2 PRO 82 -31.170 -6.285 9.077 612 HB3 PRO 82 HB3 PRO 82 -32.349 -5.841 7.764 613 HG2 PRO 82 HG2 PRO 82 -32.215 -8.433 9.345 614 HG3 PRO 82 HG3 PRO 82 -33.641 -7.354 9.116 615 HD2 PRO 82 HD2 PRO 82 -33.217 -9.513 7.545 616 HD3 PRO 82 HD3 PRO 82 -33.857 -7.988 6.851 617 H ASP 83 H ASP 83 -30.191 -9.780 7.252 618 HA ASP 83 HA ASP 83 -27.761 -9.282 8.884 619 HB2 ASP 83 HB2 ASP 83 -29.448 -10.944 9.591 620 HB3 ASP 83 HB3 ASP 83 -29.145 -11.881 8.114 621 H GLU 84 H GLU 84 -28.806 -10.444 5.696 622 HA GLU 84 HA GLU 84 -26.528 -11.750 4.762 623 HB2 GLU 84 HB2 GLU 84 -28.709 -10.069 3.463 624 HB3 GLU 84 HB3 GLU 84 -27.400 -10.711 2.487 625 HG2 GLU 84 HG2 GLU 84 -29.137 -12.483 4.243 626 HG3 GLU 84 HG3 GLU 84 -29.493 -12.091 2.549 627 H ILE 85 H ILE 85 -27.449 -8.387 4.357 628 HA ILE 85 HA ILE 85 -25.356 -7.365 2.916 629 HB ILE 85 HB ILE 85 -26.168 -5.194 3.691 630 HG12 ILE 85 HG12 ILE 85 -27.644 -6.763 5.847 631 HG13 ILE 85 HG13 ILE 85 -26.368 -5.566 6.078 632 HG21 ILE 85 HG21 ILE 85 -28.459 -5.440 2.903 633 HG22 ILE 85 HG22 ILE 85 -27.468 -6.633 2.051 634 HG23 ILE 85 HG23 ILE 85 -28.523 -7.139 3.380 635 HD11 ILE 85 HD11 ILE 85 -29.195 -5.038 5.098 636 HD12 ILE 85 HD12 ILE 85 -28.451 -4.538 6.624 637 HD13 ILE 85 HD13 ILE 85 -27.890 -3.827 5.094 638 H ARG 86 H ARG 86 -23.415 -6.274 3.341 639 HA ARG 86 HA ARG 86 -22.338 -6.434 6.099 640 HB2 ARG 86 HB2 ARG 86 -21.656 -8.398 4.446 641 HB3 ARG 86 HB3 ARG 86 -20.713 -7.175 3.633 642 HG2 ARG 86 HG2 ARG 86 -19.276 -8.357 5.123 643 HG3 ARG 86 HG3 ARG 86 -19.471 -6.729 5.748 644 HD2 ARG 86 HD2 ARG 86 -19.616 -8.010 7.659 645 HD3 ARG 86 HD3 ARG 86 -21.324 -7.815 7.309 646 HE ARG 86 HE ARG 86 -19.597 -10.168 7.013 647 HH11 ARG 86 HH11 ARG 86 -22.943 -8.864 6.555 648 HH12 ARG 86 HH12 ARG 86 -23.560 -10.339 5.951 649 HH21 ARG 86 HH21 ARG 86 -20.578 -12.169 6.211 650 HH22 ARG 86 HH22 ARG 86 -22.279 -12.220 5.855 651 H GLU 87 H GLU 87 -20.389 -5.010 6.399 652 HA GLU 87 HA GLU 87 -20.962 -2.463 5.143 653 HB2 GLU 87 HB2 GLU 87 -19.054 -1.625 6.448 654 HB3 GLU 87 HB3 GLU 87 -20.243 -2.448 7.455 655 HG2 GLU 87 HG2 GLU 87 -17.937 -4.061 6.430 656 HG3 GLU 87 HG3 GLU 87 -17.598 -2.813 7.601 657 H LYS 88 H LYS 88 -19.342 -1.136 4.036 658 HA LYS 88 HA LYS 88 -17.307 -2.647 2.445 659 HB2 LYS 88 HB2 LYS 88 -19.408 -2.522 1.181 660 HB3 LYS 88 HB3 LYS 88 -19.506 -0.804 1.505 661 HG2 LYS 88 HG2 LYS 88 -17.081 -0.997 0.189 662 HG3 LYS 88 HG3 LYS 88 -18.047 -2.218 -0.619 663 HD2 LYS 88 HD2 LYS 88 -19.780 0.061 -0.410 664 HD3 LYS 88 HD3 LYS 88 -18.192 0.731 -0.711 665 HE2 LYS 88 HE2 LYS 88 -18.969 0.473 -2.844 666 HE3 LYS 88 HE3 LYS 88 -18.107 -1.063 -2.664 667 HZ1 LYS 88 HZ1 LYS 88 -20.255 -2.064 -2.080 668 HZ2 LYS 88 HZ2 LYS 88 -20.329 -1.414 -3.572 669 HZ3 LYS 88 HZ3 LYS 88 -21.029 -0.633 -2.331 670 H LYS 89 H LYS 89 -15.448 -1.667 3.138 671 HA LYS 89 HA LYS 89 -15.332 1.203 3.823 672 HB2 LYS 89 HB2 LYS 89 -13.436 -1.158 4.074 673 HB3 LYS 89 HB3 LYS 89 -12.903 0.489 4.389 674 HG2 LYS 89 HG2 LYS 89 -14.034 0.683 6.366 675 HG3 LYS 89 HG3 LYS 89 -15.350 -0.322 5.830 676 HD2 LYS 89 HD2 LYS 89 -12.888 -1.921 6.035 677 HD3 LYS 89 HD3 LYS 89 -13.191 -1.058 7.538 678 HE2 LYS 89 HE2 LYS 89 -14.100 -3.439 7.254 679 HE3 LYS 89 HE3 LYS 89 -15.132 -2.214 7.981 680 HZ1 LYS 89 HZ1 LYS 89 -15.256 -3.013 5.135 681 HZ2 LYS 89 HZ2 LYS 89 -16.236 -1.923 5.953 682 HZ3 LYS 89 HZ3 LYS 89 -16.273 -3.504 6.346 683 HA PRO 90 HA PRO 90 -13.652 1.494 -0.422 684 HB2 PRO 90 HB2 PRO 90 -13.708 4.234 -0.660 685 HB3 PRO 90 HB3 PRO 90 -15.143 3.219 -0.911 686 HG2 PRO 90 HG2 PRO 90 -14.354 4.778 1.532 687 HG3 PRO 90 HG3 PRO 90 -15.988 4.592 0.839 688 HD2 PRO 90 HD2 PRO 90 -15.122 3.117 3.001 689 HD3 PRO 90 HD3 PRO 90 -16.295 2.518 1.805 690 H LEU 91 H LEU 91 -11.544 1.624 -0.950 691 HA LEU 91 HA LEU 91 -9.560 3.051 0.779 692 HB2 LEU 91 HB2 LEU 91 -9.150 0.478 -0.810 693 HB3 LEU 91 HB3 LEU 91 -8.036 1.223 0.327 694 HG LEU 91 HG LEU 91 -10.699 -0.081 1.051 695 HD11 LEU 91 HD11 LEU 91 -7.853 -1.121 1.267 696 HD12 LEU 91 HD12 LEU 91 -9.122 -1.701 0.167 697 HD13 LEU 91 HD13 LEU 91 -9.301 -1.919 1.918 698 HD21 LEU 91 HD21 LEU 91 -9.913 -0.002 3.369 699 HD22 LEU 91 HD22 LEU 91 -9.988 1.636 2.715 700 HD23 LEU 91 HD23 LEU 91 -8.418 0.807 2.870 701 H ARG 92 H ARG 92 -9.239 4.850 -0.439 702 HA ARG 92 HA ARG 92 -8.994 4.627 -3.411 703 HB2 ARG 92 HB2 ARG 92 -9.650 6.940 -1.540 704 HB3 ARG 92 HB3 ARG 92 -9.270 7.116 -3.265 705 HG2 ARG 92 HG2 ARG 92 -11.151 5.816 -3.930 706 HG3 ARG 92 HG3 ARG 92 -11.584 5.417 -2.252 707 HD2 ARG 92 HD2 ARG 92 -12.340 7.577 -1.791 708 HD3 ARG 92 HD3 ARG 92 -11.293 8.318 -3.009 709 HE ARG 92 HE ARG 92 -12.714 7.788 -4.715 710 HH11 ARG 92 HH11 ARG 92 -14.296 6.637 -1.718 711 HH12 ARG 92 HH12 ARG 92 -15.650 5.997 -2.575 712 HH21 ARG 92 HH21 ARG 92 -14.289 6.907 -5.784 713 HH22 ARG 92 HH22 ARG 92 -15.686 6.204 -5.038 714 H TYR 93 H TYR 93 -6.920 4.545 -4.093 715 HA TYR 93 HA TYR 93 -4.832 5.701 -2.352 716 HB2 TYR 93 HB2 TYR 93 -4.615 3.756 -4.642 717 HB3 TYR 93 HB3 TYR 93 -3.305 4.365 -3.622 718 HD1 TYR 93 HD2 TYR 93 -6.399 2.250 -3.635 719 HD2 TYR 93 HD1 TYR 93 -2.891 3.449 -1.403 720 HE1 TYR 93 HE2 TYR 93 -6.892 0.539 -1.933 721 HE2 TYR 93 HE1 TYR 93 -3.390 1.731 0.294 722 HH TYR 93 HH TYR 93 -5.258 0.348 1.159 723 H GLY 94 H GLY 94 -3.371 7.188 -2.976 724 HA2 GLY 94 HA2 GLY 94 -3.881 9.128 -4.877 725 HA3 GLY 94 HA3 GLY 94 -3.026 8.953 -3.360 726 H LYS 95 H LYS 95 -1.899 10.312 -5.385 727 HA LYS 95 HA LYS 95 -0.132 8.672 -7.029 728 HB2 LYS 95 HB2 LYS 95 -1.010 10.859 -7.733 729 HB3 LYS 95 HB3 LYS 95 -0.235 11.644 -6.355 730 HG2 LYS 95 HG2 LYS 95 1.938 11.326 -7.240 731 HG3 LYS 95 HG3 LYS 95 1.385 10.121 -8.424 732 HD2 LYS 95 HD2 LYS 95 0.354 12.997 -8.459 733 HD3 LYS 95 HD3 LYS 95 1.898 12.580 -9.174 734 HE2 LYS 95 HE2 LYS 95 0.068 10.621 -10.150 735 HE3 LYS 95 HE3 LYS 95 -0.775 12.174 -10.242 736 HZ1 LYS 95 HZ1 LYS 95 1.141 13.048 -11.426 737 HZ2 LYS 95 HZ2 LYS 95 0.461 11.776 -12.225 738 HZ3 LYS 95 HZ3 LYS 95 1.860 11.536 -11.394 739 H VAL 96 H VAL 96 2.478 9.263 -6.637 740 HA VAL 96 HA VAL 96 2.988 9.156 -3.723 741 HB VAL 96 HB VAL 96 4.258 7.432 -5.877 742 HG11 VAL 96 HG11 VAL 96 5.844 7.953 -4.023 743 HG12 VAL 96 HG12 VAL 96 4.636 7.370 -2.853 744 HG13 VAL 96 HG13 VAL 96 5.361 6.259 -4.036 745 HG21 VAL 96 HG21 VAL 96 2.358 6.671 -3.595 746 HG22 VAL 96 HG22 VAL 96 1.975 6.623 -5.330 747 HG23 VAL 96 HG23 VAL 96 3.193 5.536 -4.669 748 H TYR 97 H TYR 97 4.809 10.178 -2.987 749 HA TYR 97 HA TYR 97 6.367 11.842 -4.853 750 HB2 TYR 97 HB2 TYR 97 5.495 12.703 -2.069 751 HB3 TYR 97 HB3 TYR 97 6.118 13.691 -3.331 752 HD1 TYR 97 HD2 TYR 97 3.053 11.811 -2.156 753 HD2 TYR 97 HD1 TYR 97 4.673 14.683 -4.965 754 HE1 TYR 97 HE2 TYR 97 0.789 12.450 -2.775 755 HE2 TYR 97 HE1 TYR 97 2.366 15.293 -5.636 756 HH TYR 97 HH TYR 97 -0.524 13.725 -4.174 757 H SER 98 H SER 98 8.320 12.695 -3.443 758 HA SER 98 HA SER 98 9.575 10.419 -1.996 759 HB2 SER 98 HB2 SER 98 10.593 10.768 -4.107 760 HB3 SER 98 HB3 SER 98 10.490 12.515 -3.988 761 HG SER 98 HG SER 98 12.220 11.007 -2.293 762 H THR 99 H THR 99 11.305 11.361 -0.421 763 HA THR 99 HA THR 99 10.113 13.555 1.161 764 HB THR 99 HB THR 99 11.618 12.596 2.952 765 HG1 THR 99 HG1 THR 99 12.454 10.601 2.679 766 HG21 THR 99 HG21 THR 99 10.193 10.621 3.434 767 HG22 THR 99 HG22 THR 99 9.547 10.672 1.789 768 HG23 THR 99 HG23 THR 99 9.230 12.012 2.923 769 H ASN 100 H ASN 100 12.075 14.842 2.243 770 HA ASN 100 HA ASN 100 13.583 16.082 0.094 771 HB2 ASN 100 HB2 ASN 100 12.673 17.345 2.033 772 HB3 ASN 100 HB3 ASN 100 13.735 16.454 3.121 773 HD21 ASN 100 HD21 ASN 100 15.816 17.342 3.468 774 HD22 ASN 100 HD22 ASN 100 16.410 18.729 2.590 775 H GLU 101 H GLU 101 14.694 14.158 -0.642 776 HA GLU 101 HA GLU 101 17.101 13.465 0.907 777 HB2 GLU 101 HB2 GLU 101 15.311 11.558 -0.618 778 HB3 GLU 101 HB3 GLU 101 16.929 11.195 0.023 779 HG2 GLU 101 HG2 GLU 101 14.604 12.153 1.706 780 HG3 GLU 101 HG3 GLU 101 14.973 10.439 1.453 781 H ASP 102 H ASP 102 18.120 14.631 -0.114 782 HA ASP 102 HA ASP 102 18.509 15.026 -3.032 783 HB2 ASP 102 HB2 ASP 102 20.283 16.618 -2.444 784 HB3 ASP 102 HB3 ASP 102 18.828 16.945 -1.539 785 H SER 103 H SER 103 19.373 12.486 -1.203 786 HA SER 103 HA SER 103 22.013 12.068 -2.503 787 HB2 SER 103 HB2 SER 103 20.897 11.044 0.124 788 HB3 SER 103 HB3 SER 103 22.482 10.622 -0.562 789 HG SER 103 HG SER 103 21.772 13.345 -0.264 790 H ASP 104 H ASP 104 22.184 9.288 -2.193 791 HA ASP 104 HA ASP 104 20.288 8.494 -4.284 792 HB2 ASP 104 HB2 ASP 104 22.897 8.266 -4.283 793 HB3 ASP 104 HB3 ASP 104 22.635 6.864 -3.258 794 H ALA 105 H ALA 105 20.191 8.361 -1.029 795 HA ALA 105 HA ALA 105 19.624 5.703 -0.330 796 HB1 ALA 105 HB1 ALA 105 18.487 6.706 1.639 797 HB2 ALA 105 HB2 ALA 105 20.076 7.422 1.317 798 HB3 ALA 105 HB3 ALA 105 18.601 8.309 0.872 799 H LYS 106 H LYS 106 17.078 8.240 -0.752 800 HA LYS 106 HA LYS 106 14.828 8.052 -1.112 801 HB2 LYS 106 HB2 LYS 106 16.120 7.865 -3.308 802 HB3 LYS 106 HB3 LYS 106 15.687 6.183 -3.336 803 HG2 LYS 106 HG2 LYS 106 13.566 8.371 -3.047 804 HG3 LYS 106 HG3 LYS 106 14.328 8.087 -4.597 805 HD2 LYS 106 HD2 LYS 106 12.535 6.144 -3.113 806 HD3 LYS 106 HD3 LYS 106 12.247 6.977 -4.636 807 HE2 LYS 106 HE2 LYS 106 14.258 5.800 -5.610 808 HE3 LYS 106 HE3 LYS 106 14.371 4.841 -4.128 809 HZ1 LYS 106 HZ1 LYS 106 12.003 4.908 -5.877 810 HZ2 LYS 106 HZ2 LYS 106 12.286 3.842 -4.632 811 HZ3 LYS 106 HZ3 LYS 106 13.209 3.826 -6.008 812 H ASP 107 H ASP 107 15.615 6.336 1.033 813 HA ASP 107 HA ASP 107 14.314 3.711 0.582 814 HB2 ASP 107 HB2 ASP 107 15.632 4.986 3.003 815 HB3 ASP 107 HB3 ASP 107 14.647 3.529 3.122 816 H GLU 108 H GLU 108 13.444 6.932 1.566 817 HA GLU 108 HA GLU 108 10.796 5.940 2.533 818 HB2 GLU 108 HB2 GLU 108 12.710 7.977 3.562 819 HB3 GLU 108 HB3 GLU 108 10.948 8.312 3.730 820 HG2 GLU 108 HG2 GLU 108 10.608 6.383 5.067 821 HG3 GLU 108 HG3 GLU 108 12.174 5.695 4.551 822 H ILE 109 H ILE 109 9.058 6.904 1.758 823 HA ILE 109 HA ILE 109 9.212 9.006 -0.323 824 HB ILE 109 HB ILE 109 7.757 7.628 -1.817 825 HG12 ILE 109 HG12 ILE 109 8.161 4.988 -1.171 826 HG13 ILE 109 HG13 ILE 109 7.908 5.677 0.425 827 HG21 ILE 109 HG21 ILE 109 9.457 6.246 -2.784 828 HG22 ILE 109 HG22 ILE 109 10.149 7.788 -2.236 829 HG23 ILE 109 HG23 ILE 109 10.425 6.301 -1.295 830 HD11 ILE 109 HD11 ILE 109 5.791 5.087 -0.266 831 HD12 ILE 109 HD12 ILE 109 5.800 6.810 -0.574 832 HD13 ILE 109 HD13 ILE 109 6.031 5.677 -1.918 833 H ILE 110 H ILE 110 6.621 9.402 -0.984 834 HA ILE 110 HA ILE 110 5.048 9.259 1.519 835 HB ILE 110 HB ILE 110 5.101 11.652 -0.311 836 HG12 ILE 110 HG12 ILE 110 6.818 11.125 2.131 837 HG13 ILE 110 HG13 ILE 110 7.381 11.442 0.489 838 HG21 ILE 110 HG21 ILE 110 3.952 12.772 1.454 839 HG22 ILE 110 HG22 ILE 110 3.134 11.224 1.231 840 HG23 ILE 110 HG23 ILE 110 4.250 11.438 2.591 841 HD11 ILE 110 HD11 ILE 110 7.764 13.386 1.654 842 HD12 ILE 110 HD12 ILE 110 6.363 13.666 0.585 843 HD13 ILE 110 HD13 ILE 110 6.135 13.417 2.349 844 H VAL 111 H VAL 111 3.325 8.050 1.110 845 HA VAL 111 HA VAL 111 2.249 7.692 -1.621 846 HB VAL 111 HB VAL 111 1.591 6.498 1.112 847 HG11 VAL 111 HG11 VAL 111 -0.345 6.175 -0.352 848 HG12 VAL 111 HG12 VAL 111 0.710 5.569 -1.640 849 HG13 VAL 111 HG13 VAL 111 0.444 4.654 -0.124 850 HG21 VAL 111 HG21 VAL 111 3.288 5.187 -0.995 851 HG22 VAL 111 HG22 VAL 111 3.869 5.936 0.518 852 HG23 VAL 111 HG23 VAL 111 2.831 4.560 0.621 853 H GLU 112 H GLU 112 0.041 8.389 -2.064 854 HA GLU 112 HA GLU 112 -1.187 10.053 0.076 855 HB2 GLU 112 HB2 GLU 112 -0.900 11.196 -2.014 856 HB3 GLU 112 HB3 GLU 112 -1.420 9.892 -2.852 857 HG2 GLU 112 HG2 GLU 112 -3.773 10.269 -1.677 858 HG3 GLU 112 HG3 GLU 112 -3.145 11.784 -1.130 859 H PHE 113 H PHE 113 -3.211 9.441 0.852 860 HA PHE 113 HA PHE 113 -4.727 7.277 -0.420 861 HB2 PHE 113 HB2 PHE 113 -3.058 6.240 1.125 862 HB3 PHE 113 HB3 PHE 113 -3.709 7.196 2.456 863 HD1 PHE 113 HD2 PHE 113 -4.961 4.968 -0.315 864 HD2 PHE 113 HD1 PHE 113 -5.103 5.954 3.862 865 HE1 PHE 113 HE2 PHE 113 -6.614 3.258 -0.031 866 HE2 PHE 113 HE1 PHE 113 -6.862 4.258 4.188 867 HZ PHE 113 HZ PHE 113 -7.648 2.863 2.269 868 H ASN 114 H ASN 114 -6.966 7.619 -0.008 869 HA ASN 114 HA ASN 114 -8.809 8.839 0.513 870 HB2 ASN 114 HB2 ASN 114 -7.424 9.012 3.228 871 HB3 ASN 114 HB3 ASN 114 -9.093 9.417 2.956 872 HD21 ASN 114 HD21 ASN 114 -10.060 7.293 1.347 873 HD22 ASN 114 HD22 ASN 114 -9.935 5.847 2.342 874 H ARG 115 H ARG 115 -6.708 10.320 -0.746 875 HA ARG 115 HA ARG 115 -6.312 12.378 -1.522 876 HB2 ARG 115 HB2 ARG 115 -8.395 13.575 0.327 877 HB3 ARG 115 HB3 ARG 115 -7.745 14.232 -1.146 878 HG2 ARG 115 HG2 ARG 115 -9.626 13.516 -2.084 879 HG3 ARG 115 HG3 ARG 115 -8.799 11.954 -2.157 880 HD2 ARG 115 HD2 ARG 115 -10.204 11.007 -0.632 881 HD3 ARG 115 HD3 ARG 115 -10.182 12.407 0.427 882 HE ARG 115 HE ARG 115 -12.171 11.773 -1.582 883 HH11 ARG 115 HH11 ARG 115 -10.852 14.513 0.340 884 HH12 ARG 115 HH12 ARG 115 -12.381 15.208 0.585 885 HH21 ARG 115 HH21 ARG 115 -14.061 12.807 -1.478 886 HH22 ARG 115 HH22 ARG 115 -14.286 14.288 -0.590 887 H GLU 116 H GLU 116 -5.223 11.409 1.392 888 HA GLU 116 HA GLU 116 -3.968 13.984 2.111 889 HB2 GLU 116 HB2 GLU 116 -4.753 11.501 3.703 890 HB3 GLU 116 HB3 GLU 116 -3.724 12.786 4.333 891 HG2 GLU 116 HG2 GLU 116 -5.533 14.396 4.109 892 HG3 GLU 116 HG3 GLU 116 -6.602 13.170 3.394 893 H TYR 117 H TYR 117 -1.753 13.748 2.657 894 HA TYR 117 HA TYR 117 -0.366 11.509 1.278 895 HB2 TYR 117 HB2 TYR 117 0.749 14.157 2.212 896 HB3 TYR 117 HB3 TYR 117 1.558 12.965 1.204 897 HD1 TYR 117 HD1 TYR 117 -1.358 12.610 -0.344 898 HD2 TYR 117 HD2 TYR 117 1.420 15.775 0.421 899 HE1 TYR 117 HE1 TYR 117 -2.391 13.895 -2.166 900 HE2 TYR 117 HE2 TYR 117 0.423 17.056 -1.506 901 HH TYR 117 HH TYR 117 -2.663 16.228 -2.755 902 H TYR 118 H TYR 118 0.826 10.076 2.270 903 HA TYR 118 HA TYR 118 1.471 10.414 5.174 904 HB2 TYR 118 HB2 TYR 118 0.585 7.864 3.850 905 HB3 TYR 118 HB3 TYR 118 1.121 8.030 5.501 906 HD1 TYR 118 HD1 TYR 118 -1.608 9.065 3.140 907 HD2 TYR 118 HD2 TYR 118 -0.358 8.677 7.261 908 HE1 TYR 118 HE1 TYR 118 -3.914 9.463 3.865 909 HE2 TYR 118 HE2 TYR 118 -2.673 9.116 8.004 910 HH TYR 118 HH TYR 118 -5.364 9.002 5.921 911 H ARG 119 H ARG 119 3.542 10.207 5.638 912 HA ARG 119 HA ARG 119 5.457 9.505 3.550 913 HB2 ARG 119 HB2 ARG 119 5.925 11.262 5.170 914 HB3 ARG 119 HB3 ARG 119 5.902 10.096 6.498 915 HG2 ARG 119 HG2 ARG 119 7.734 9.553 4.153 916 HG3 ARG 119 HG3 ARG 119 8.139 10.926 5.163 917 HD2 ARG 119 HD2 ARG 119 7.795 8.082 6.196 918 HD3 ARG 119 HD3 ARG 119 9.328 8.873 5.829 919 HE ARG 119 HE ARG 119 7.780 10.501 7.578 920 HH11 ARG 119 HH11 ARG 119 10.319 8.047 7.647 921 HH12 ARG 119 HH12 ARG 119 10.175 7.696 9.341 922 HH21 ARG 119 HH21 ARG 119 7.914 10.406 9.884 923 HH22 ARG 119 HH22 ARG 119 8.921 9.258 10.686 924 H ALA 120 H ALA 120 6.315 7.615 3.202 925 HA ALA 120 HA ALA 120 5.733 5.361 5.018 926 HB1 ALA 120 HB1 ALA 120 5.932 5.203 2.004 927 HB2 ALA 120 HB2 ALA 120 5.330 3.963 3.135 928 HB3 ALA 120 HB3 ALA 120 4.398 5.447 2.864 929 H VAL 121 H VAL 121 7.353 3.578 4.786 930 HA VAL 121 HA VAL 121 10.061 4.409 3.859 931 HB VAL 121 HB VAL 121 9.832 4.827 6.221 932 HG11 VAL 121 HG11 VAL 121 8.925 2.042 6.663 933 HG12 VAL 121 HG12 VAL 121 9.427 3.226 7.902 934 HG13 VAL 121 HG13 VAL 121 8.061 3.606 6.852 935 HG21 VAL 121 HG21 VAL 121 11.480 2.306 6.153 936 HG22 VAL 121 HG22 VAL 121 12.000 3.761 5.280 937 HG23 VAL 121 HG23 VAL 121 11.757 3.839 7.024 938 H LEU 122 H LEU 122 11.377 2.808 3.048 939 HA LEU 122 HA LEU 122 10.164 0.576 1.837 940 HB2 LEU 122 HB2 LEU 122 12.108 1.936 1.046 941 HB3 LEU 122 HB3 LEU 122 13.114 1.214 2.312 942 HG LEU 122 HG LEU 122 12.739 -1.005 1.244 943 HD11 LEU 122 HD11 LEU 122 11.806 -1.014 -1.120 944 HD12 LEU 122 HD12 LEU 122 11.309 0.657 -0.854 945 HD13 LEU 122 HD13 LEU 122 10.577 -0.659 0.104 946 HD21 LEU 122 HD21 LEU 122 14.053 -0.488 -0.893 947 HD22 LEU 122 HD22 LEU 122 14.725 0.332 0.538 948 HD23 LEU 122 HD23 LEU 122 13.724 1.212 -0.630 949 H ILE 123 H ILE 123 9.871 -1.546 2.530 950 HA ILE 123 HA ILE 123 10.579 -2.064 5.357 951 HB ILE 123 HB ILE 123 8.711 -3.384 3.364 952 HG12 ILE 123 HG12 ILE 123 8.088 -2.137 6.057 953 HG13 ILE 123 HG13 ILE 123 8.261 -1.094 4.655 954 HG21 ILE 123 HG21 ILE 123 7.961 -4.776 5.323 955 HG22 ILE 123 HG22 ILE 123 9.599 -5.167 4.834 956 HG23 ILE 123 HG23 ILE 123 9.325 -4.132 6.256 957 HD11 ILE 123 HD11 ILE 123 6.481 -1.993 3.523 958 HD12 ILE 123 HD12 ILE 123 6.368 -3.437 4.560 959 HD13 ILE 123 HD13 ILE 123 5.885 -1.847 5.172 960 H LYS 124 H LYS 124 10.857 -3.607 2.178 961 HA LYS 124 HA LYS 124 12.397 -5.822 2.660 962 HB2 LYS 124 HB2 LYS 124 12.869 -5.752 0.389 963 HB3 LYS 124 HB3 LYS 124 11.233 -5.262 0.651 964 HG2 LYS 124 HG2 LYS 124 11.968 -3.877 -1.005 965 HG3 LYS 124 HG3 LYS 124 12.012 -2.868 0.420 966 HD2 LYS 124 HD2 LYS 124 14.278 -2.512 0.187 967 HD3 LYS 124 HD3 LYS 124 14.610 -4.256 0.033 968 HE2 LYS 124 HE2 LYS 124 13.784 -4.298 -2.166 969 HE3 LYS 124 HE3 LYS 124 13.463 -2.551 -2.148 970 HZ1 LYS 124 HZ1 LYS 124 16.174 -3.735 -1.840 971 HZ2 LYS 124 HZ2 LYS 124 15.848 -2.150 -2.042 972 HZ3 LYS 124 HZ3 LYS 124 15.599 -3.219 -3.270 973 H ASN 125 H ASN 125 13.418 -2.668 3.215 974 HA ASN 125 HA ASN 125 16.244 -2.901 2.685 975 HB2 ASN 125 HB2 ASN 125 14.808 -0.802 2.599 976 HB3 ASN 125 HB3 ASN 125 14.680 -0.878 4.359 977 HD21 ASN 125 HD21 ASN 125 15.825 0.978 4.849 978 HD22 ASN 125 HD22 ASN 125 17.334 1.418 4.061 979 H GLU 126 H GLU 126 14.123 -3.389 5.537 980 HA GLU 126 HA GLU 126 16.517 -3.692 7.285 981 HB2 GLU 126 HB2 GLU 126 14.989 -3.949 9.131 982 HB3 GLU 126 HB3 GLU 126 14.631 -2.461 8.263 983 HG2 GLU 126 HG2 GLU 126 12.674 -3.500 7.242 984 HG3 GLU 126 HG3 GLU 126 13.031 -5.053 8.012 985 H LYS 127 H LYS 127 16.441 -5.859 8.650 986 HA LYS 127 HA LYS 127 15.473 -8.113 6.931 987 HB2 LYS 127 HB2 LYS 127 18.212 -7.709 8.161 988 HB3 LYS 127 HB3 LYS 127 17.571 -9.315 7.755 989 HG2 LYS 127 HG2 LYS 127 17.257 -8.696 5.431 990 HG3 LYS 127 HG3 LYS 127 17.755 -7.038 5.731 991 HD2 LYS 127 HD2 LYS 127 19.629 -9.312 6.458 992 HD3 LYS 127 HD3 LYS 127 19.498 -8.808 4.775 993 HE2 LYS 127 HE2 LYS 127 19.971 -6.796 7.000 994 HE3 LYS 127 HE3 LYS 127 21.308 -7.680 6.240 995 HZ1 LYS 127 HZ1 LYS 127 20.769 -5.477 5.224 996 HZ2 LYS 127 HZ2 LYS 127 19.380 -6.163 4.595 997 HZ3 LYS 127 HZ3 LYS 127 20.834 -6.751 4.191 998 H GLU 128 H GLU 128 13.704 -7.371 8.453 999 HA GLU 128 HA GLU 128 13.702 -9.141 10.782 1000 HB2 GLU 128 HB2 GLU 128 14.400 -6.867 11.577 1001 HB3 GLU 128 HB3 GLU 128 12.904 -6.186 10.925 1002 HG2 GLU 128 HG2 GLU 128 11.586 -7.662 12.439 1003 HG3 GLU 128 HG3 GLU 128 13.069 -8.435 12.973 Start of MODEL 14 1 H1 GLY 1 H GLY 1 40.195 -16.270 -15.888 2 HA2 GLY 1 HA2 GLY 1 40.666 -18.573 -16.571 3 HA3 GLY 1 HA3 GLY 1 41.380 -18.259 -14.961 4 H SER 2 H SER 2 41.099 -20.480 -14.133 5 HA SER 2 HA SER 2 38.483 -21.719 -14.374 6 HB2 SER 2 HB2 SER 2 40.825 -22.861 -14.134 7 HB3 SER 2 HB3 SER 2 40.655 -22.507 -12.400 8 HG SER 2 HG SER 2 39.778 -24.554 -12.916 9 H THR 3 H THR 3 37.294 -22.335 -12.281 10 HA THR 3 HA THR 3 37.498 -20.385 -10.093 11 HB THR 3 HB THR 3 34.871 -20.988 -11.520 12 HG1 THR 3 HG1 THR 3 35.061 -19.084 -12.575 13 HG21 THR 3 HG21 THR 3 35.684 -18.797 -9.549 14 HG22 THR 3 HG22 THR 3 34.548 -20.132 -9.235 15 HG23 THR 3 HG23 THR 3 34.124 -18.874 -10.389 16 H MET 4 H MET 4 36.025 -21.230 -8.240 17 HA MET 4 HA MET 4 35.214 -24.000 -8.320 18 HB2 MET 4 HB2 MET 4 37.687 -24.253 -7.999 19 HB3 MET 4 HB3 MET 4 37.608 -23.234 -6.567 20 HG2 MET 4 HG2 MET 4 37.674 -25.626 -6.007 21 HG3 MET 4 HG3 MET 4 36.204 -24.860 -5.422 22 HE1 MET 4 HE1 MET 4 37.749 -27.156 -8.251 23 HE2 MET 4 HE2 MET 4 36.290 -27.716 -9.098 24 HE3 MET 4 HE3 MET 4 36.790 -26.020 -9.236 25 H HIS 5 H HIS 5 36.377 -21.594 -5.896 26 HA HIS 5 HA HIS 5 34.166 -21.977 -4.124 27 HB2 HIS 5 HB2 HIS 5 36.408 -21.096 -3.476 28 HB3 HIS 5 HB3 HIS 5 36.128 -19.654 -4.452 29 HD1 HIS 5 HD1 HIS 5 34.290 -17.866 -3.439 30 HD2 HIS 5 HD2 HIS 5 35.313 -21.197 -1.050 31 HE1 HIS 5 HE1 HIS 5 33.531 -17.337 -1.062 32 H PHE 6 H PHE 6 32.156 -20.934 -4.064 33 HA PHE 6 HA PHE 6 31.599 -18.563 -5.679 34 HB2 PHE 6 HB2 PHE 6 31.150 -20.408 -7.245 35 HB3 PHE 6 HB3 PHE 6 30.238 -21.266 -5.999 36 HD1 PHE 6 HD1 PHE 6 30.231 -18.101 -8.036 37 HD2 PHE 6 HD2 PHE 6 27.889 -20.915 -5.742 38 HE1 PHE 6 HE1 PHE 6 28.140 -16.964 -8.747 39 HE2 PHE 6 HE2 PHE 6 25.818 -19.760 -6.449 40 HZ PHE 6 HZ PHE 6 25.934 -17.792 -7.955 41 H THR 7 H THR 7 29.833 -17.456 -4.769 42 HA THR 7 HA THR 7 28.509 -18.651 -2.402 43 HB THR 7 HB THR 7 28.735 -16.413 -1.296 44 HG1 THR 7 HG1 THR 7 29.274 -15.021 -2.849 45 HG21 THR 7 HG21 THR 7 31.066 -16.767 -0.580 46 HG22 THR 7 HG22 THR 7 31.357 -17.811 -1.992 47 HG23 THR 7 HG23 THR 7 30.221 -18.322 -0.733 48 H ASP 8 H ASP 8 26.501 -17.483 -1.842 49 HA ASP 8 HA ASP 8 25.074 -16.607 -4.293 50 HB2 ASP 8 HB2 ASP 8 24.580 -18.622 -2.202 51 HB3 ASP 8 HB3 ASP 8 23.241 -17.508 -2.327 52 H ASP 9 H ASP 9 22.887 -15.631 -3.249 53 HA ASP 9 HA ASP 9 23.556 -13.322 -1.526 54 HB2 ASP 9 HB2 ASP 9 22.134 -11.927 -2.937 55 HB3 ASP 9 HB3 ASP 9 23.494 -12.567 -3.843 56 H ASN 10 H ASN 10 20.822 -12.384 -1.423 57 HA ASN 10 HA ASN 10 19.250 -14.634 -0.429 58 HB2 ASN 10 HB2 ASN 10 20.065 -12.223 1.280 59 HB3 ASN 10 HB3 ASN 10 18.679 -13.233 1.605 60 HD21 ASN 10 HD21 ASN 10 19.060 -15.013 2.903 61 HD22 ASN 10 HD22 ASN 10 20.720 -15.426 3.355 62 H GLU 11 H GLU 11 17.029 -14.057 -0.373 63 HA GLU 11 HA GLU 11 16.286 -12.203 -2.398 64 HB2 GLU 11 HB2 GLU 11 14.478 -13.339 -0.233 65 HB3 GLU 11 HB3 GLU 11 14.017 -12.778 -1.850 66 HG2 GLU 11 HG2 GLU 11 15.568 -15.292 -1.115 67 HG3 GLU 11 HG3 GLU 11 13.951 -15.189 -1.779 68 H ASN 12 H ASN 12 15.525 -10.091 -2.190 69 HA ASN 12 HA ASN 12 15.670 -8.738 0.467 70 HB2 ASN 12 HB2 ASN 12 17.206 -8.106 -2.084 71 HB3 ASN 12 HB3 ASN 12 16.763 -6.813 -0.997 72 HD21 ASN 12 HD21 ASN 12 17.650 -9.866 0.533 73 HD22 ASN 12 HD22 ASN 12 19.200 -9.261 1.098 74 H ASP 13 H ASP 13 13.296 -9.664 -1.282 75 HA ASP 13 HA ASP 13 12.097 -6.980 -1.303 76 HB2 ASP 13 HB2 ASP 13 13.041 -7.906 -3.729 77 HB3 ASP 13 HB3 ASP 13 11.357 -8.420 -3.785 78 H THR 14 H THR 14 9.811 -6.896 -1.797 79 HA THR 14 HA THR 14 8.413 -8.760 -0.047 80 HB THR 14 HB THR 14 8.011 -6.305 -0.110 81 HG1 THR 14 HG1 THR 14 6.445 -7.473 0.746 82 HG21 THR 14 HG21 THR 14 8.013 -5.927 -2.651 83 HG22 THR 14 HG22 THR 14 6.593 -5.253 -1.843 84 HG23 THR 14 HG23 THR 14 6.434 -6.754 -2.679 85 H SER 15 H SER 15 8.344 -7.965 -3.395 86 HA SER 15 HA SER 15 7.540 -8.909 -5.304 87 HB2 SER 15 HB2 SER 15 8.130 -11.487 -3.824 88 HB3 SER 15 HB3 SER 15 7.944 -11.304 -5.576 89 HG SER 15 HG SER 15 10.124 -11.289 -4.881 90 H GLU 16 H GLU 16 5.541 -7.950 -3.787 91 HA GLU 16 HA GLU 16 3.334 -9.834 -4.310 92 HB2 GLU 16 HB2 GLU 16 2.304 -9.618 -2.281 93 HB3 GLU 16 HB3 GLU 16 4.006 -9.740 -1.839 94 HG2 GLU 16 HG2 GLU 16 4.063 -7.252 -1.540 95 HG3 GLU 16 HG3 GLU 16 2.317 -7.239 -1.795 96 H THR 17 H THR 17 1.138 -8.229 -3.936 97 HA THR 17 HA THR 17 1.716 -5.752 -5.470 98 HB THR 17 HB THR 17 0.997 -7.644 -6.949 99 HG1 THR 17 HG1 THR 17 0.775 -5.541 -7.603 100 HG21 THR 17 HG21 THR 17 -1.634 -7.383 -5.490 101 HG22 THR 17 HG22 THR 17 -0.638 -8.835 -5.736 102 HG23 THR 17 HG23 THR 17 -1.464 -8.093 -7.102 103 H MET 18 H MET 18 -0.414 -4.274 -5.453 104 HA MET 18 HA MET 18 -0.787 -3.714 -2.751 105 HB2 MET 18 HB2 MET 18 -2.315 -2.890 -5.242 106 HB3 MET 18 HB3 MET 18 -2.734 -2.285 -3.652 107 HG2 MET 18 HG2 MET 18 0.101 -2.006 -4.387 108 HG3 MET 18 HG3 MET 18 -1.040 -1.013 -5.259 109 HE1 MET 18 HE1 MET 18 -0.669 -2.113 -1.362 110 HE2 MET 18 HE2 MET 18 -1.371 -0.658 -0.625 111 HE3 MET 18 HE3 MET 18 -2.385 -1.705 -1.616 112 H GLU 19 H GLU 19 -2.848 -5.507 -5.072 113 HA GLU 19 HA GLU 19 -5.183 -5.818 -3.500 114 HB2 GLU 19 HB2 GLU 19 -3.919 -7.544 -5.652 115 HB3 GLU 19 HB3 GLU 19 -5.448 -7.975 -4.879 116 HG2 GLU 19 HG2 GLU 19 -6.418 -5.791 -5.484 117 HG3 GLU 19 HG3 GLU 19 -4.896 -5.280 -6.186 118 H SER 20 H SER 20 -2.227 -7.877 -3.483 119 HA SER 20 HA SER 20 -3.112 -9.836 -1.712 120 HB2 SER 20 HB2 SER 20 -0.289 -8.707 -2.028 121 HB3 SER 20 HB3 SER 20 -0.735 -10.343 -1.506 122 HG SER 20 HG SER 20 -0.209 -10.195 -3.804 123 H LEU 21 H LEU 21 -1.644 -6.635 -1.084 124 HA LEU 21 HA LEU 21 -1.236 -6.992 1.722 125 HB2 LEU 21 HB2 LEU 21 -2.078 -4.413 0.271 126 HB3 LEU 21 HB3 LEU 21 -1.408 -4.514 1.858 127 HG LEU 21 HG LEU 21 -0.106 -4.653 -0.808 128 HD11 LEU 21 HD11 LEU 21 0.764 -3.541 1.898 129 HD12 LEU 21 HD12 LEU 21 -0.226 -2.678 0.721 130 HD13 LEU 21 HD13 LEU 21 1.448 -3.142 0.313 131 HD21 LEU 21 HD21 LEU 21 0.716 -6.738 -0.008 132 HD22 LEU 21 HD22 LEU 21 1.067 -6.080 1.602 133 HD23 LEU 21 HD23 LEU 21 2.005 -5.545 0.205 134 H ILE 22 H ILE 22 -3.968 -5.466 -0.054 135 HA ILE 22 HA ILE 22 -5.536 -5.050 2.263 136 HB ILE 22 HB ILE 22 -6.506 -5.485 -0.595 137 HG12 ILE 22 HG12 ILE 22 -5.730 -2.889 0.844 138 HG13 ILE 22 HG13 ILE 22 -4.795 -3.661 -0.441 139 HG21 ILE 22 HG21 ILE 22 -7.729 -4.127 1.854 140 HG22 ILE 22 HG22 ILE 22 -8.476 -4.160 0.227 141 HG23 ILE 22 HG23 ILE 22 -8.261 -5.644 1.128 142 HD11 ILE 22 HD11 ILE 22 -6.034 -1.989 -1.524 143 HD12 ILE 22 HD12 ILE 22 -6.886 -3.520 -1.895 144 HD13 ILE 22 HD13 ILE 22 -7.525 -2.401 -0.701 145 H ASP 23 H ASP 23 -5.403 -7.829 0.032 146 HA ASP 23 HA ASP 23 -7.545 -9.361 0.971 147 HB2 ASP 23 HB2 ASP 23 -5.526 -9.766 -0.836 148 HB3 ASP 23 HB3 ASP 23 -5.077 -10.911 0.403 149 H LYS 24 H LYS 24 -4.390 -8.869 2.415 150 HA LYS 24 HA LYS 24 -4.962 -10.733 4.652 151 HB2 LYS 24 HB2 LYS 24 -2.754 -11.138 4.600 152 HB3 LYS 24 HB3 LYS 24 -2.678 -10.178 3.146 153 HG2 LYS 24 HG2 LYS 24 -1.064 -9.136 4.297 154 HG3 LYS 24 HG3 LYS 24 -2.372 -8.144 4.849 155 HD2 LYS 24 HD2 LYS 24 -2.459 -10.225 6.701 156 HD3 LYS 24 HD3 LYS 24 -0.736 -10.178 6.275 157 HE2 LYS 24 HE2 LYS 24 -0.487 -7.978 7.119 158 HE3 LYS 24 HE3 LYS 24 -2.236 -7.657 7.069 159 HZ1 LYS 24 HZ1 LYS 24 -1.238 -8.027 9.270 160 HZ2 LYS 24 HZ2 LYS 24 -1.033 -9.623 8.897 161 HZ3 LYS 24 HZ3 LYS 24 -2.550 -8.947 8.958 162 H GLY 25 H GLY 25 -5.196 -7.409 3.984 163 HA2 GLY 25 HA2 GLY 25 -6.230 -5.850 5.416 164 HA3 GLY 25 HA3 GLY 25 -5.795 -6.819 6.822 165 H LYS 26 H LYS 26 -3.476 -5.938 4.309 166 HA LYS 26 HA LYS 26 -1.811 -4.511 6.327 167 HB2 LYS 26 HB2 LYS 26 -1.359 -5.721 3.636 168 HB3 LYS 26 HB3 LYS 26 -0.354 -4.319 4.053 169 HG2 LYS 26 HG2 LYS 26 0.248 -5.563 6.179 170 HG3 LYS 26 HG3 LYS 26 -0.528 -6.965 5.441 171 HD2 LYS 26 HD2 LYS 26 1.482 -5.650 3.689 172 HD3 LYS 26 HD3 LYS 26 2.128 -6.265 5.185 173 HE2 LYS 26 HE2 LYS 26 1.067 -8.485 4.734 174 HE3 LYS 26 HE3 LYS 26 0.602 -7.899 3.121 175 HZ1 LYS 26 HZ1 LYS 26 2.688 -9.180 3.207 176 HZ2 LYS 26 HZ2 LYS 26 3.401 -8.005 4.102 177 HZ3 LYS 26 HZ3 LYS 26 2.907 -7.729 2.543 178 H LEU 27 H LEU 27 -3.664 -2.906 6.491 179 HA LEU 27 HA LEU 27 -3.719 -0.912 4.285 180 HB2 LEU 27 HB2 LEU 27 -5.301 -0.914 6.883 181 HB3 LEU 27 HB3 LEU 27 -5.423 0.253 5.589 182 HG LEU 27 HG LEU 27 -7.277 -1.065 5.275 183 HD11 LEU 27 HD11 LEU 27 -6.008 -0.753 3.121 184 HD12 LEU 27 HD12 LEU 27 -7.016 -2.217 3.157 185 HD13 LEU 27 HD13 LEU 27 -5.269 -2.355 3.369 186 HD21 LEU 27 HD21 LEU 27 -6.467 -2.920 6.760 187 HD22 LEU 27 HD22 LEU 27 -5.606 -3.560 5.334 188 HD23 LEU 27 HD23 LEU 27 -7.374 -3.449 5.321 189 H ASP 28 H ASP 28 -1.583 -1.522 6.606 190 HA ASP 28 HA ASP 28 -1.053 1.332 7.320 191 HB2 ASP 28 HB2 ASP 28 -0.198 -1.250 8.647 192 HB3 ASP 28 HB3 ASP 28 0.400 0.346 9.106 193 H GLN 29 H GLN 29 -0.207 -0.647 4.862 194 HA GLN 29 HA GLN 29 2.392 0.612 4.391 195 HB2 GLN 29 HB2 GLN 29 3.420 -1.670 3.918 196 HB3 GLN 29 HB3 GLN 29 3.267 -1.130 5.579 197 HG2 GLN 29 HG2 GLN 29 1.061 -2.693 5.421 198 HG3 GLN 29 HG3 GLN 29 2.055 -3.426 4.152 199 HE21 GLN 29 HE21 GLN 29 4.644 -3.174 5.254 200 HE22 GLN 29 HE22 GLN 29 4.726 -3.928 6.823 201 H VAL 30 H VAL 30 2.927 0.345 2.039 202 HA VAL 30 HA VAL 30 0.790 -0.904 0.386 203 HB VAL 30 HB VAL 30 0.547 0.938 -1.053 204 HG11 VAL 30 HG11 VAL 30 -0.845 0.928 1.010 205 HG12 VAL 30 HG12 VAL 30 0.284 2.077 1.747 206 HG13 VAL 30 HG13 VAL 30 -0.632 2.529 0.288 207 HG21 VAL 30 HG21 VAL 30 2.856 1.871 -0.932 208 HG22 VAL 30 HG22 VAL 30 1.549 3.039 -0.851 209 HG23 VAL 30 HG23 VAL 30 2.409 2.580 0.639 210 H VAL 31 H VAL 31 1.447 -1.036 -2.066 211 HA VAL 31 HA VAL 31 4.306 -1.461 -2.233 212 HB VAL 31 HB VAL 31 2.454 -2.881 -4.101 213 HG11 VAL 31 HG11 VAL 31 4.834 -3.034 -4.456 214 HG12 VAL 31 HG12 VAL 31 4.950 -3.917 -2.906 215 HG13 VAL 31 HG13 VAL 31 3.980 -4.583 -4.231 216 HG21 VAL 31 HG21 VAL 31 3.066 -3.891 -1.332 217 HG22 VAL 31 HG22 VAL 31 1.442 -3.522 -1.990 218 HG23 VAL 31 HG23 VAL 31 2.386 -4.886 -2.625 219 H TYR 32 H TYR 32 5.350 -0.472 -3.912 220 HA TYR 32 HA TYR 32 3.940 0.430 -6.314 221 HB2 TYR 32 HB2 TYR 32 3.526 2.476 -5.279 222 HB3 TYR 32 HB3 TYR 32 4.986 2.385 -4.316 223 HD1 TYR 32 HD1 TYR 32 4.297 2.375 -8.064 224 HD2 TYR 32 HD2 TYR 32 6.470 4.129 -4.798 225 HE1 TYR 32 HE1 TYR 32 5.795 3.588 -9.659 226 HE2 TYR 32 HE2 TYR 32 7.999 5.227 -6.351 227 HH TYR 32 HH TYR 32 7.597 5.137 -9.885 228 H ASP 33 H ASP 33 5.287 0.270 -7.995 229 HA ASP 33 HA ASP 33 6.914 -0.534 -9.208 230 HB2 ASP 33 HB2 ASP 33 7.780 1.751 -8.417 231 HB3 ASP 33 HB3 ASP 33 9.002 0.858 -7.548 232 H ASP 34 H ASP 34 6.084 -2.356 -7.430 233 HA ASP 34 HA ASP 34 6.584 -4.430 -6.627 234 HB2 ASP 34 HB2 ASP 34 7.925 -4.275 -8.846 235 HB3 ASP 34 HB3 ASP 34 9.358 -4.139 -7.802 236 H GLN 35 H GLN 35 7.144 -2.102 -4.955 237 HA GLN 35 HA GLN 35 9.146 -3.365 -3.121 238 HB2 GLN 35 HB2 GLN 35 8.767 -0.364 -3.380 239 HB3 GLN 35 HB3 GLN 35 9.943 -1.223 -2.413 240 HG2 GLN 35 HG2 GLN 35 9.895 -0.815 -5.408 241 HG3 GLN 35 HG3 GLN 35 11.015 -0.224 -4.187 242 HE21 GLN 35 HE21 GLN 35 11.069 -3.073 -2.986 243 HE22 GLN 35 HE22 GLN 35 11.793 -4.008 -4.210 244 H LEU 36 H LEU 36 8.754 -2.922 -0.937 245 HA LEU 36 HA LEU 36 5.919 -2.217 -0.318 246 HB2 LEU 36 HB2 LEU 36 6.706 -4.594 0.107 247 HB3 LEU 36 HB3 LEU 36 7.764 -3.963 1.345 248 HG LEU 36 HG LEU 36 5.666 -3.141 2.554 249 HD11 LEU 36 HD11 LEU 36 3.504 -4.077 1.858 250 HD12 LEU 36 HD12 LEU 36 4.259 -4.768 0.408 251 HD13 LEU 36 HD13 LEU 36 4.135 -3.007 0.601 252 HD21 LEU 36 HD21 LEU 36 4.997 -5.440 3.235 253 HD22 LEU 36 HD22 LEU 36 6.757 -5.358 3.025 254 HD23 LEU 36 HD23 LEU 36 5.757 -6.094 1.774 255 H TYR 37 H TYR 37 5.571 -0.556 0.930 256 HA TYR 37 HA TYR 37 7.845 0.562 2.494 257 HB2 TYR 37 HB2 TYR 37 5.553 2.229 1.522 258 HB3 TYR 37 HB3 TYR 37 7.148 2.742 2.048 259 HD1 TYR 37 HD1 TYR 37 9.028 1.334 0.364 260 HD2 TYR 37 HD2 TYR 37 5.164 2.992 -0.575 261 HE1 TYR 37 HE1 TYR 37 9.790 1.798 -1.984 262 HE2 TYR 37 HE2 TYR 37 5.934 3.532 -2.823 263 HH TYR 37 HH TYR 37 9.219 2.755 -4.078 264 H HIS 38 H HIS 38 7.332 1.406 4.491 265 HA HIS 38 HA HIS 38 4.794 0.530 5.720 266 HB2 HIS 38 HB2 HIS 38 7.579 0.411 6.422 267 HB3 HIS 38 HB3 HIS 38 6.893 1.459 7.566 268 HD1 HIS 38 HD1 HIS 38 7.762 -1.417 8.672 269 HD2 HIS 38 HD2 HIS 38 3.881 -0.234 7.442 270 HE1 HIS 38 HE1 HIS 38 6.127 -3.046 9.695 271 H LEU 39 H LEU 39 3.329 2.059 6.409 272 HA LEU 39 HA LEU 39 3.925 4.887 6.034 273 HB2 LEU 39 HB2 LEU 39 1.548 3.503 7.364 274 HB3 LEU 39 HB3 LEU 39 1.613 5.197 6.883 275 HG LEU 39 HG LEU 39 1.893 2.849 4.950 276 HD11 LEU 39 HD11 LEU 39 -0.338 2.832 5.863 277 HD12 LEU 39 HD12 LEU 39 -0.371 3.483 4.208 278 HD13 LEU 39 HD13 LEU 39 -0.484 4.572 5.617 279 HD21 LEU 39 HD21 LEU 39 1.381 5.814 4.479 280 HD22 LEU 39 HD22 LEU 39 1.438 4.607 3.209 281 HD23 LEU 39 HD23 LEU 39 2.909 5.018 4.134 282 H LYS 40 H LYS 40 4.623 6.342 7.529 283 HA LYS 40 HA LYS 40 4.801 5.404 10.365 284 HB2 LYS 40 HB2 LYS 40 6.508 7.555 9.064 285 HB3 LYS 40 HB3 LYS 40 6.672 6.876 10.665 286 HG2 LYS 40 HG2 LYS 40 7.232 5.601 7.997 287 HG3 LYS 40 HG3 LYS 40 8.400 6.004 9.245 288 HD2 LYS 40 HD2 LYS 40 6.368 3.938 10.005 289 HD3 LYS 40 HD3 LYS 40 7.472 3.572 8.708 290 HE2 LYS 40 HE2 LYS 40 8.419 2.655 10.665 291 HE3 LYS 40 HE3 LYS 40 9.423 3.989 10.114 292 HZ1 LYS 40 HZ1 LYS 40 7.548 4.057 12.397 293 HZ2 LYS 40 HZ2 LYS 40 8.476 5.354 11.861 294 HZ3 LYS 40 HZ3 LYS 40 9.186 4.029 12.459 295 H GLU 41 H GLU 41 4.725 8.531 8.681 296 HA GLU 41 HA GLU 41 2.458 9.302 10.497 297 HB2 GLU 41 HB2 GLU 41 3.405 11.367 11.115 298 HB3 GLU 41 HB3 GLU 41 4.684 10.174 11.315 299 HG2 GLU 41 HG2 GLU 41 5.455 10.844 8.966 300 HG3 GLU 41 HG3 GLU 41 4.353 12.188 9.055 301 H LYS 42 H LYS 42 1.371 11.223 9.939 302 HA LYS 42 HA LYS 42 0.620 11.202 7.056 303 HB2 LYS 42 HB2 LYS 42 -1.118 11.186 8.960 304 HB3 LYS 42 HB3 LYS 42 -0.727 12.870 9.233 305 HG2 LYS 42 HG2 LYS 42 -1.626 11.722 6.556 306 HG3 LYS 42 HG3 LYS 42 -2.765 12.233 7.771 307 HD2 LYS 42 HD2 LYS 42 -0.749 14.312 7.082 308 HD3 LYS 42 HD3 LYS 42 -1.808 13.820 5.754 309 HE2 LYS 42 HE2 LYS 42 -3.766 14.363 7.074 310 HE3 LYS 42 HE3 LYS 42 -2.774 14.695 8.494 311 HZ1 LYS 42 HZ1 LYS 42 -1.786 16.540 7.454 312 HZ2 LYS 42 HZ2 LYS 42 -3.383 16.745 7.307 313 HZ3 LYS 42 HZ3 LYS 42 -2.497 16.289 5.992 314 H VAL 43 H VAL 43 1.068 13.022 5.696 315 HA VAL 43 HA VAL 43 2.516 15.304 6.921 316 HB VAL 43 HB VAL 43 4.161 15.205 5.115 317 HG11 VAL 43 HG11 VAL 43 4.553 14.027 7.315 318 HG12 VAL 43 HG12 VAL 43 4.127 12.514 6.489 319 HG13 VAL 43 HG13 VAL 43 5.529 13.479 5.948 320 HG21 VAL 43 HG21 VAL 43 2.964 14.076 3.344 321 HG22 VAL 43 HG22 VAL 43 4.439 13.184 3.750 322 HG23 VAL 43 HG23 VAL 43 2.865 12.579 4.302 323 H ASP 44 H ASP 44 2.830 17.009 5.117 324 HA ASP 44 HA ASP 44 0.185 17.439 3.869 325 HB2 ASP 44 HB2 ASP 44 1.181 19.068 5.622 326 HB3 ASP 44 HB3 ASP 44 2.323 19.525 4.349 327 H GLU 45 H GLU 45 0.297 18.939 1.855 328 HA GLU 45 HA GLU 45 1.849 17.628 -0.168 329 HB2 GLU 45 HB2 GLU 45 0.891 19.400 -1.647 330 HB3 GLU 45 HB3 GLU 45 -0.280 18.402 -0.834 331 HG2 GLU 45 HG2 GLU 45 -0.884 20.153 0.692 332 HG3 GLU 45 HG3 GLU 45 0.562 21.097 0.296 333 H ASP 46 H ASP 46 2.595 20.084 2.074 334 HA ASP 46 HA ASP 46 4.530 21.535 0.396 335 HB2 ASP 46 HB2 ASP 46 3.231 22.665 2.163 336 HB3 ASP 46 HB3 ASP 46 3.932 21.599 3.381 337 H LYS 47 H LYS 47 4.450 18.504 1.983 338 HA LYS 47 HA LYS 47 7.337 18.572 2.670 339 HB2 LYS 47 HB2 LYS 47 5.556 16.234 3.234 340 HB3 LYS 47 HB3 LYS 47 6.987 16.814 4.077 341 HG2 LYS 47 HG2 LYS 47 4.198 17.970 4.141 342 HG3 LYS 47 HG3 LYS 47 5.027 17.138 5.449 343 HD2 LYS 47 HD2 LYS 47 6.721 19.193 5.240 344 HD3 LYS 47 HD3 LYS 47 5.338 19.953 4.448 345 HE2 LYS 47 HE2 LYS 47 5.075 20.540 6.700 346 HE3 LYS 47 HE3 LYS 47 3.904 19.257 6.434 347 HZ1 LYS 47 HZ1 LYS 47 5.361 17.757 7.581 348 HZ2 LYS 47 HZ2 LYS 47 5.196 19.095 8.483 349 HZ3 LYS 47 HZ3 LYS 47 6.594 18.847 7.612 350 H LYS 48 H LYS 48 5.416 17.576 0.154 351 HA LYS 48 HA LYS 48 7.045 15.258 -0.704 352 HB2 LYS 48 HB2 LYS 48 5.627 15.461 -2.824 353 HB3 LYS 48 HB3 LYS 48 4.801 14.955 -1.338 354 HG2 LYS 48 HG2 LYS 48 3.539 16.800 -1.233 355 HG3 LYS 48 HG3 LYS 48 4.858 17.851 -1.779 356 HD2 LYS 48 HD2 LYS 48 4.398 17.710 -3.955 357 HD3 LYS 48 HD3 LYS 48 3.611 16.124 -3.853 358 HE2 LYS 48 HE2 LYS 48 1.597 17.014 -3.052 359 HE3 LYS 48 HE3 LYS 48 2.400 18.527 -2.540 360 HZ1 LYS 48 HZ1 LYS 48 1.859 17.744 -5.330 361 HZ2 LYS 48 HZ2 LYS 48 2.752 19.050 -4.842 362 HZ3 LYS 48 HZ3 LYS 48 1.174 18.979 -4.460 363 H GLY 49 H GLY 49 8.974 15.660 -1.327 364 HA2 GLY 49 HA2 GLY 49 9.935 18.071 -2.532 365 HA3 GLY 49 HA3 GLY 49 10.806 16.549 -2.415 366 H LYS 50 H LYS 50 8.548 15.114 -3.985 367 HA LYS 50 HA LYS 50 8.269 16.302 -6.545 368 HB2 LYS 50 HB2 LYS 50 9.916 14.783 -7.760 369 HB3 LYS 50 HB3 LYS 50 10.612 16.123 -6.867 370 HG2 LYS 50 HG2 LYS 50 11.050 14.480 -4.943 371 HG3 LYS 50 HG3 LYS 50 10.652 13.176 -6.082 372 HD2 LYS 50 HD2 LYS 50 12.760 15.331 -6.535 373 HD3 LYS 50 HD3 LYS 50 13.094 13.813 -5.725 374 HE2 LYS 50 HE2 LYS 50 11.916 13.757 -8.520 375 HE3 LYS 50 HE3 LYS 50 13.620 14.140 -8.257 376 HZ1 LYS 50 HZ1 LYS 50 13.693 11.896 -8.483 377 HZ2 LYS 50 HZ2 LYS 50 12.298 11.587 -7.743 378 HZ3 LYS 50 HZ3 LYS 50 13.622 12.010 -6.857 379 H VAL 51 H VAL 51 7.043 14.928 -7.934 380 HA VAL 51 HA VAL 51 5.685 12.596 -6.748 381 HB VAL 51 HB VAL 51 5.579 14.211 -9.306 382 HG11 VAL 51 HG11 VAL 51 3.964 12.649 -10.325 383 HG12 VAL 51 HG12 VAL 51 5.554 11.922 -10.210 384 HG13 VAL 51 HG13 VAL 51 4.295 11.458 -9.045 385 HG21 VAL 51 HG21 VAL 51 4.194 14.849 -7.392 386 HG22 VAL 51 HG22 VAL 51 3.216 14.381 -8.780 387 HG23 VAL 51 HG23 VAL 51 3.412 13.244 -7.432 388 H ILE 52 H ILE 52 6.046 10.443 -7.391 389 HA ILE 52 HA ILE 52 8.413 9.931 -9.130 390 HB ILE 52 HB ILE 52 9.317 8.304 -7.601 391 HG12 ILE 52 HG12 ILE 52 7.239 9.213 -5.556 392 HG13 ILE 52 HG13 ILE 52 7.233 7.655 -6.391 393 HG21 ILE 52 HG21 ILE 52 10.409 9.790 -6.140 394 HG22 ILE 52 HG22 ILE 52 9.945 10.789 -7.502 395 HG23 ILE 52 HG23 ILE 52 8.991 10.880 -6.019 396 HD11 ILE 52 HD11 ILE 52 9.297 8.628 -4.391 397 HD12 ILE 52 HD12 ILE 52 8.152 7.289 -4.227 398 HD13 ILE 52 HD13 ILE 52 9.483 7.166 -5.391 399 H GLY 53 H GLY 53 5.266 8.886 -7.877 400 HA2 GLY 53 HA2 GLY 53 4.936 7.119 -10.158 401 HA3 GLY 53 HA3 GLY 53 5.113 6.263 -8.610 402 H ALA 54 H ALA 54 2.713 5.798 -9.559 403 HA ALA 54 HA ALA 54 0.963 7.429 -7.903 404 HB1 ALA 54 HB1 ALA 54 0.921 8.510 -10.172 405 HB2 ALA 54 HB2 ALA 54 0.436 6.966 -10.874 406 HB3 ALA 54 HB3 ALA 54 -0.650 7.791 -9.743 407 H ILE 55 H ILE 55 -0.161 5.925 -6.590 408 HA ILE 55 HA ILE 55 -0.394 3.148 -7.554 409 HB ILE 55 HB ILE 55 -1.375 4.636 -5.091 410 HG12 ILE 55 HG12 ILE 55 0.751 2.454 -5.285 411 HG13 ILE 55 HG13 ILE 55 1.150 4.159 -5.411 412 HG21 ILE 55 HG21 ILE 55 -1.998 2.496 -4.165 413 HG22 ILE 55 HG22 ILE 55 -2.906 2.809 -5.629 414 HG23 ILE 55 HG23 ILE 55 -1.544 1.661 -5.668 415 HD11 ILE 55 HD11 ILE 55 1.503 3.456 -3.144 416 HD12 ILE 55 HD12 ILE 55 0.117 4.570 -3.178 417 HD13 ILE 55 HD13 ILE 55 -0.150 2.824 -3.005 418 H GLY 56 H GLY 56 -2.691 5.788 -6.665 419 HA2 GLY 56 HA2 GLY 56 -4.765 6.343 -7.397 420 HA3 GLY 56 HA3 GLY 56 -4.174 5.900 -8.984 421 H GLN 57 H GLN 57 -4.413 3.202 -6.766 422 HA GLN 57 HA GLN 57 -6.571 2.109 -8.420 423 HB2 GLN 57 HB2 GLN 57 -5.090 0.893 -6.061 424 HB3 GLN 57 HB3 GLN 57 -6.095 0.052 -7.231 425 HG2 GLN 57 HG2 GLN 57 -4.349 1.181 -8.948 426 HG3 GLN 57 HG3 GLN 57 -3.294 1.089 -7.531 427 HE21 GLN 57 HE21 GLN 57 -2.618 -1.026 -6.814 428 HE22 GLN 57 HE22 GLN 57 -2.976 -2.485 -7.722 429 H THR 58 H THR 58 -8.373 0.908 -7.220 430 HA THR 58 HA THR 58 -9.148 2.219 -4.696 431 HB THR 58 HB THR 58 -11.119 2.040 -6.990 432 HG1 THR 58 HG1 THR 58 -9.545 3.572 -7.495 433 HG21 THR 58 HG21 THR 58 -12.131 2.101 -4.735 434 HG22 THR 58 HG22 THR 58 -12.402 3.638 -5.568 435 HG23 THR 58 HG23 THR 58 -11.153 3.523 -4.312 436 H PHE 59 H PHE 59 -10.071 0.762 -3.319 437 HA PHE 59 HA PHE 59 -11.176 -1.744 -4.428 438 HB2 PHE 59 HB2 PHE 59 -8.868 -1.771 -2.418 439 HB3 PHE 59 HB3 PHE 59 -9.769 -3.164 -2.969 440 HD1 PHE 59 HD1 PHE 59 -9.613 -3.849 -5.426 441 HD2 PHE 59 HD2 PHE 59 -6.925 -1.004 -3.614 442 HE1 PHE 59 HE1 PHE 59 -7.931 -4.284 -7.186 443 HE2 PHE 59 HE2 PHE 59 -5.187 -1.573 -5.307 444 HZ PHE 59 HZ PHE 59 -5.741 -3.131 -7.156 445 H PHE 60 H PHE 60 -12.073 -3.155 -2.407 446 HA PHE 60 HA PHE 60 -12.899 -1.370 -0.198 447 HB2 PHE 60 HB2 PHE 60 -14.839 -3.026 -1.861 448 HB3 PHE 60 HB3 PHE 60 -15.217 -2.047 -0.457 449 HD1 PHE 60 HD1 PHE 60 -14.123 -1.898 -4.036 450 HD2 PHE 60 HD2 PHE 60 -15.800 0.260 -0.694 451 HE1 PHE 60 HE1 PHE 60 -14.593 0.026 -5.507 452 HE2 PHE 60 HE2 PHE 60 -16.348 2.127 -2.155 453 HZ PHE 60 HZ PHE 60 -15.678 2.069 -4.599 454 H VAL 61 H VAL 61 -13.571 -2.585 1.778 455 HA VAL 61 HA VAL 61 -13.355 -5.501 1.568 456 HB VAL 61 HB VAL 61 -12.033 -5.612 3.611 457 HG11 VAL 61 HG11 VAL 61 -9.897 -5.122 2.645 458 HG12 VAL 61 HG12 VAL 61 -10.966 -5.819 1.425 459 HG13 VAL 61 HG13 VAL 61 -10.634 -4.072 1.406 460 HG21 VAL 61 HG21 VAL 61 -11.685 -2.604 3.283 461 HG22 VAL 61 HG22 VAL 61 -12.503 -3.478 4.603 462 HG23 VAL 61 HG23 VAL 61 -10.749 -3.652 4.379 463 H ASP 62 H ASP 62 -14.273 -6.567 3.516 464 HA ASP 62 HA ASP 62 -16.672 -5.134 4.427 465 HB2 ASP 62 HB2 ASP 62 -17.639 -7.215 4.708 466 HB3 ASP 62 HB3 ASP 62 -16.649 -7.467 3.276 467 H GLY 63 H GLY 63 -17.278 -6.363 6.741 468 HA2 GLY 63 HA2 GLY 63 -15.718 -4.935 8.641 469 HA3 GLY 63 HA3 GLY 63 -16.987 -6.115 8.971 470 H ASP 64 H ASP 64 -15.308 -8.158 7.235 471 HA ASP 64 HA ASP 64 -13.717 -9.117 9.559 472 HB2 ASP 64 HB2 ASP 64 -15.271 -10.660 8.432 473 HB3 ASP 64 HB3 ASP 64 -14.428 -10.405 6.902 474 H GLY 65 H GLY 65 -13.389 -7.752 6.355 475 HA2 GLY 65 HA2 GLY 65 -11.421 -6.482 5.752 476 HA3 GLY 65 HA3 GLY 65 -10.418 -7.618 6.658 477 H LYS 66 H LYS 66 -13.115 -8.448 4.386 478 HA LYS 66 HA LYS 66 -11.191 -9.986 2.705 479 HB2 LYS 66 HB2 LYS 66 -14.217 -10.192 3.120 480 HB3 LYS 66 HB3 LYS 66 -13.319 -11.035 1.855 481 HG2 LYS 66 HG2 LYS 66 -11.832 -11.834 3.942 482 HG3 LYS 66 HG3 LYS 66 -13.312 -11.468 4.826 483 HD2 LYS 66 HD2 LYS 66 -13.466 -13.782 4.268 484 HD3 LYS 66 HD3 LYS 66 -14.556 -12.961 3.157 485 HE2 LYS 66 HE2 LYS 66 -13.305 -14.658 1.970 486 HE3 LYS 66 HE3 LYS 66 -12.796 -13.078 1.376 487 HZ1 LYS 66 HZ1 LYS 66 -11.355 -14.675 3.406 488 HZ2 LYS 66 HZ2 LYS 66 -10.796 -13.269 2.715 489 HZ3 LYS 66 HZ3 LYS 66 -10.941 -14.639 1.822 490 H ARG 67 H ARG 67 -10.888 -9.349 0.635 491 HA ARG 67 HA ARG 67 -11.696 -6.862 -0.374 492 HB2 ARG 67 HB2 ARG 67 -10.201 -9.330 -1.238 493 HB3 ARG 67 HB3 ARG 67 -10.861 -8.372 -2.546 494 HG2 ARG 67 HG2 ARG 67 -9.247 -7.120 -0.293 495 HG3 ARG 67 HG3 ARG 67 -8.456 -7.874 -1.653 496 HD2 ARG 67 HD2 ARG 67 -10.325 -5.473 -1.666 497 HD3 ARG 67 HD3 ARG 67 -8.598 -5.481 -2.041 498 HE ARG 67 HE ARG 67 -10.788 -5.929 -3.778 499 HH11 ARG 67 HH11 ARG 67 -7.752 -7.662 -3.208 500 HH12 ARG 67 HH12 ARG 67 -7.612 -8.099 -4.872 501 HH21 ARG 67 HH21 ARG 67 -10.257 -6.263 -6.098 502 HH22 ARG 67 HH22 ARG 67 -8.742 -7.004 -6.514 503 H TRP 68 H TRP 68 -13.569 -6.273 -1.199 504 HA TRP 68 HA TRP 68 -15.757 -8.116 -1.563 505 HB2 TRP 68 HB2 TRP 68 -15.249 -5.214 -2.258 506 HB3 TRP 68 HB3 TRP 68 -16.636 -6.040 -2.930 507 HD1 TRP 68 HD1 TRP 68 -15.224 -5.498 0.650 508 HE1 TRP 68 HE1 TRP 68 -17.208 -5.253 2.267 509 HE3 TRP 68 HE3 TRP 68 -19.024 -6.311 -2.652 510 HZ2 TRP 68 HZ2 TRP 68 -20.088 -5.592 2.150 511 HZ3 TRP 68 HZ3 TRP 68 -21.366 -6.419 -1.872 512 HH2 TRP 68 HH2 TRP 68 -21.909 -6.039 0.520 513 H SER 69 H SER 69 -16.429 -9.209 -3.363 514 HA SER 69 HA SER 69 -14.556 -9.343 -5.634 515 HB2 SER 69 HB2 SER 69 -17.129 -10.807 -4.910 516 HB3 SER 69 HB3 SER 69 -16.144 -11.152 -6.346 517 HG SER 69 HG SER 69 -15.701 -12.413 -4.350 518 H GLU 70 H GLU 70 -15.193 -8.889 -7.827 519 HA GLU 70 HA GLU 70 -16.768 -6.543 -8.102 520 HB2 GLU 70 HB2 GLU 70 -15.858 -8.489 -10.249 521 HB3 GLU 70 HB3 GLU 70 -16.540 -6.878 -10.507 522 HG2 GLU 70 HG2 GLU 70 -14.648 -6.010 -8.943 523 HG3 GLU 70 HG3 GLU 70 -13.898 -7.600 -9.161 524 H GLU 71 H GLU 71 -17.673 -9.892 -8.077 525 HA GLU 71 HA GLU 71 -20.184 -9.738 -9.443 526 HB2 GLU 71 HB2 GLU 71 -19.269 -11.576 -7.175 527 HB3 GLU 71 HB3 GLU 71 -20.717 -11.784 -8.169 528 HG2 GLU 71 HG2 GLU 71 -19.074 -11.759 -10.197 529 HG3 GLU 71 HG3 GLU 71 -17.810 -12.045 -8.986 530 H GLU 72 H GLU 72 -19.313 -9.569 -5.934 531 HA GLU 72 HA GLU 72 -21.949 -8.934 -5.079 532 HB2 GLU 72 HB2 GLU 72 -19.245 -8.391 -3.796 533 HB3 GLU 72 HB3 GLU 72 -20.783 -8.197 -2.978 534 HG2 GLU 72 HG2 GLU 72 -19.606 -10.772 -4.022 535 HG3 GLU 72 HG3 GLU 72 -19.796 -10.270 -2.342 536 H LEU 73 H LEU 73 -19.472 -6.972 -6.533 537 HA LEU 73 HA LEU 73 -20.735 -4.456 -5.662 538 HB2 LEU 73 HB2 LEU 73 -18.515 -4.905 -7.686 539 HB3 LEU 73 HB3 LEU 73 -19.100 -3.339 -7.124 540 HG LEU 73 HG LEU 73 -17.740 -5.459 -5.407 541 HD11 LEU 73 HD11 LEU 73 -16.227 -4.245 -6.932 542 HD12 LEU 73 HD12 LEU 73 -15.912 -3.857 -5.236 543 HD13 LEU 73 HD13 LEU 73 -16.794 -2.700 -6.260 544 HD21 LEU 73 HD21 LEU 73 -18.757 -2.722 -4.567 545 HD22 LEU 73 HD22 LEU 73 -17.715 -3.803 -3.605 546 HD23 LEU 73 HD23 LEU 73 -19.357 -4.299 -3.988 547 H LYS 74 H LYS 74 -20.901 -6.594 -8.517 548 HA LYS 74 HA LYS 74 -22.510 -4.608 -9.991 549 HB2 LYS 74 HB2 LYS 74 -22.296 -5.926 -11.860 550 HB3 LYS 74 HB3 LYS 74 -20.788 -6.228 -11.009 551 HG2 LYS 74 HG2 LYS 74 -22.129 -8.304 -10.027 552 HG3 LYS 74 HG3 LYS 74 -23.172 -8.052 -11.406 553 HD2 LYS 74 HD2 LYS 74 -20.145 -8.428 -11.560 554 HD3 LYS 74 HD3 LYS 74 -21.288 -9.763 -11.657 555 HE2 LYS 74 HE2 LYS 74 -21.311 -7.402 -13.584 556 HE3 LYS 74 HE3 LYS 74 -20.412 -8.896 -13.860 557 HZ1 LYS 74 HZ1 LYS 74 -23.343 -8.648 -13.635 558 HZ2 LYS 74 HZ2 LYS 74 -22.556 -10.093 -13.653 559 HZ3 LYS 74 HZ3 LYS 74 -22.460 -9.102 -14.949 560 H GLU 75 H GLU 75 -23.138 -6.898 -7.610 561 HA GLU 75 HA GLU 75 -25.625 -8.035 -8.316 562 HB2 GLU 75 HB2 GLU 75 -23.950 -7.525 -5.909 563 HB3 GLU 75 HB3 GLU 75 -25.610 -7.807 -5.547 564 HG2 GLU 75 HG2 GLU 75 -24.178 -9.741 -7.389 565 HG3 GLU 75 HG3 GLU 75 -23.852 -9.788 -5.660 566 HA PRO 76 HA PRO 76 -28.441 -4.678 -7.300 567 HB2 PRO 76 HB2 PRO 76 -30.637 -5.993 -6.381 568 HB3 PRO 76 HB3 PRO 76 -30.145 -5.996 -8.099 569 HG2 PRO 76 HG2 PRO 76 -29.951 -8.214 -6.120 570 HG3 PRO 76 HG3 PRO 76 -30.006 -8.292 -7.905 571 HD2 PRO 76 HD2 PRO 76 -27.720 -8.401 -6.150 572 HD3 PRO 76 HD3 PRO 76 -27.684 -8.476 -7.926 573 H TYR 77 H TYR 77 -27.715 -3.532 -5.645 574 HA TYR 77 HA TYR 77 -27.028 -4.578 -3.026 575 HB2 TYR 77 HB2 TYR 77 -25.766 -2.755 -3.923 576 HB3 TYR 77 HB3 TYR 77 -27.211 -1.795 -4.232 577 HD1 TYR 77 HD1 TYR 77 -25.208 -3.292 -1.419 578 HD2 TYR 77 HD2 TYR 77 -28.049 -0.281 -2.628 579 HE1 TYR 77 HE1 TYR 77 -24.976 -2.196 0.784 580 HE2 TYR 77 HE2 TYR 77 -27.900 0.758 -0.402 581 HH TYR 77 HH TYR 77 -26.820 0.792 1.563 582 H ILE 78 H ILE 78 -29.771 -2.600 -4.292 583 HA ILE 78 HA ILE 78 -30.924 -2.357 -1.634 584 HB ILE 78 HB ILE 78 -32.907 -1.478 -2.746 585 HG12 ILE 78 HG12 ILE 78 -31.450 -1.857 -5.404 586 HG13 ILE 78 HG13 ILE 78 -32.808 -2.835 -4.835 587 HG21 ILE 78 HG21 ILE 78 -30.958 -0.058 -2.122 588 HG22 ILE 78 HG22 ILE 78 -30.337 -0.208 -3.782 589 HG23 ILE 78 HG23 ILE 78 -31.884 0.611 -3.470 590 HD11 ILE 78 HD11 ILE 78 -33.671 -1.202 -6.349 591 HD12 ILE 78 HD12 ILE 78 -34.234 -0.815 -4.707 592 HD13 ILE 78 HD13 ILE 78 -32.916 0.129 -5.455 593 H SER 79 H SER 79 -32.361 -3.647 -0.669 594 HA SER 79 HA SER 79 -33.706 -5.831 -2.033 595 HB2 SER 79 HB2 SER 79 -32.672 -7.559 -0.564 596 HB3 SER 79 HB3 SER 79 -31.513 -6.812 -1.663 597 HG SER 79 HG SER 79 -30.562 -6.937 0.288 598 H ASN 80 H ASN 80 -34.976 -7.079 -0.180 599 HA ASN 80 HA ASN 80 -36.450 -5.034 1.273 600 HB2 ASN 80 HB2 ASN 80 -36.709 -8.041 0.946 601 HB3 ASN 80 HB3 ASN 80 -37.640 -7.203 2.175 602 HD21 ASN 80 HD21 ASN 80 -39.157 -5.477 1.528 603 HD22 ASN 80 HD22 ASN 80 -39.762 -5.507 -0.128 604 H ASN 81 H ASN 81 -33.559 -6.576 2.070 605 HA ASN 81 HA ASN 81 -34.055 -6.165 4.967 606 HB2 ASN 81 HB2 ASN 81 -32.537 -8.080 5.395 607 HB3 ASN 81 HB3 ASN 81 -34.147 -8.441 4.828 608 HD21 ASN 81 HD21 ASN 81 -31.299 -7.593 2.710 609 HD22 ASN 81 HD22 ASN 81 -31.351 -9.134 1.873 610 HA PRO 82 HA PRO 82 -30.518 -3.568 3.608 611 HB2 PRO 82 HB2 PRO 82 -30.971 -1.392 5.200 612 HB3 PRO 82 HB3 PRO 82 -31.887 -1.724 3.700 613 HG2 PRO 82 HG2 PRO 82 -32.673 -2.455 6.543 614 HG3 PRO 82 HG3 PRO 82 -33.645 -1.539 5.339 615 HD2 PRO 82 HD2 PRO 82 -33.980 -4.193 5.677 616 HD3 PRO 82 HD3 PRO 82 -34.008 -3.494 4.029 617 H ASP 83 H ASP 83 -31.091 -5.247 6.469 618 HA ASP 83 HA ASP 83 -28.600 -4.290 7.827 619 HB2 ASP 83 HB2 ASP 83 -30.805 -4.378 9.072 620 HB3 ASP 83 HB3 ASP 83 -30.770 -6.135 8.897 621 H GLU 84 H GLU 84 -30.036 -6.974 6.161 622 HA GLU 84 HA GLU 84 -28.303 -9.113 7.012 623 HB2 GLU 84 HB2 GLU 84 -30.365 -8.570 4.897 624 HB3 GLU 84 HB3 GLU 84 -29.439 -10.042 4.786 625 HG2 GLU 84 HG2 GLU 84 -30.888 -9.412 7.369 626 HG3 GLU 84 HG3 GLU 84 -31.739 -10.113 5.993 627 H ILE 85 H ILE 85 -27.499 -6.507 5.248 628 HA ILE 85 HA ILE 85 -25.849 -7.856 3.159 629 HB ILE 85 HB ILE 85 -25.370 -5.541 2.413 630 HG12 ILE 85 HG12 ILE 85 -27.379 -4.563 4.481 631 HG13 ILE 85 HG13 ILE 85 -25.648 -4.524 4.778 632 HG21 ILE 85 HG21 ILE 85 -27.573 -5.042 1.489 633 HG22 ILE 85 HG22 ILE 85 -27.313 -6.784 1.516 634 HG23 ILE 85 HG23 ILE 85 -28.369 -6.030 2.729 635 HD11 ILE 85 HD11 ILE 85 -27.066 -3.043 2.539 636 HD12 ILE 85 HD12 ILE 85 -26.347 -2.360 4.012 637 HD13 ILE 85 HD13 ILE 85 -25.299 -3.107 2.803 638 H ARG 86 H ARG 86 -23.556 -6.348 3.092 639 HA ARG 86 HA ARG 86 -22.516 -6.394 5.853 640 HB2 ARG 86 HB2 ARG 86 -21.848 -8.461 4.383 641 HB3 ARG 86 HB3 ARG 86 -20.875 -7.320 3.470 642 HG2 ARG 86 HG2 ARG 86 -19.485 -8.405 5.128 643 HG3 ARG 86 HG3 ARG 86 -19.634 -6.702 5.503 644 HD2 ARG 86 HD2 ARG 86 -19.958 -7.464 7.584 645 HD3 ARG 86 HD3 ARG 86 -21.639 -7.643 7.107 646 HE ARG 86 HE ARG 86 -19.596 -9.661 7.544 647 HH11 ARG 86 HH11 ARG 86 -22.957 -9.093 6.312 648 HH12 ARG 86 HH12 ARG 86 -23.306 -10.798 6.304 649 HH21 ARG 86 HH21 ARG 86 -20.316 -11.897 7.731 650 HH22 ARG 86 HH22 ARG 86 -21.878 -12.316 7.051 651 H GLU 87 H GLU 87 -20.827 -5.007 6.309 652 HA GLU 87 HA GLU 87 -21.083 -2.468 5.110 653 HB2 GLU 87 HB2 GLU 87 -19.246 -1.781 6.514 654 HB3 GLU 87 HB3 GLU 87 -20.408 -2.744 7.432 655 HG2 GLU 87 HG2 GLU 87 -18.877 -4.714 7.027 656 HG3 GLU 87 HG3 GLU 87 -17.669 -3.565 6.423 657 H LYS 88 H LYS 88 -19.488 -1.243 3.951 658 HA LYS 88 HA LYS 88 -17.427 -2.810 2.502 659 HB2 LYS 88 HB2 LYS 88 -19.536 -2.812 1.256 660 HB3 LYS 88 HB3 LYS 88 -19.567 -1.035 1.262 661 HG2 LYS 88 HG2 LYS 88 -17.628 -0.932 -0.136 662 HG3 LYS 88 HG3 LYS 88 -17.264 -2.650 0.129 663 HD2 LYS 88 HD2 LYS 88 -18.197 -2.219 -2.076 664 HD3 LYS 88 HD3 LYS 88 -19.179 -3.353 -1.134 665 HE2 LYS 88 HE2 LYS 88 -19.907 -0.439 -1.073 666 HE3 LYS 88 HE3 LYS 88 -20.197 -1.309 -2.570 667 HZ1 LYS 88 HZ1 LYS 88 -22.118 -1.375 -1.157 668 HZ2 LYS 88 HZ2 LYS 88 -21.332 -2.159 0.047 669 HZ3 LYS 88 HZ3 LYS 88 -21.600 -2.875 -1.420 670 H LYS 89 H LYS 89 -15.729 -1.847 3.476 671 HA LYS 89 HA LYS 89 -15.554 1.008 4.005 672 HB2 LYS 89 HB2 LYS 89 -13.512 -1.212 4.309 673 HB3 LYS 89 HB3 LYS 89 -13.409 0.402 4.998 674 HG2 LYS 89 HG2 LYS 89 -15.239 -0.088 6.560 675 HG3 LYS 89 HG3 LYS 89 -15.559 -1.640 5.750 676 HD2 LYS 89 HD2 LYS 89 -13.120 -2.231 6.220 677 HD3 LYS 89 HD3 LYS 89 -13.080 -0.882 7.350 678 HE2 LYS 89 HE2 LYS 89 -15.194 -3.072 7.449 679 HE3 LYS 89 HE3 LYS 89 -13.570 -3.362 8.069 680 HZ1 LYS 89 HZ1 LYS 89 -14.027 -1.188 9.411 681 HZ2 LYS 89 HZ2 LYS 89 -14.610 -2.648 9.911 682 HZ3 LYS 89 HZ3 LYS 89 -15.624 -1.622 9.157 683 HA PRO 90 HA PRO 90 -13.668 1.167 -0.192 684 HB2 PRO 90 HB2 PRO 90 -13.614 3.876 -0.505 685 HB3 PRO 90 HB3 PRO 90 -15.136 2.947 -0.600 686 HG2 PRO 90 HG2 PRO 90 -14.053 4.460 1.756 687 HG3 PRO 90 HG3 PRO 90 -15.716 4.495 1.098 688 HD2 PRO 90 HD2 PRO 90 -15.036 2.896 3.228 689 HD3 PRO 90 HD3 PRO 90 -16.247 2.421 2.007 690 H LEU 91 H LEU 91 -11.630 1.668 -1.002 691 HA LEU 91 HA LEU 91 -9.615 2.895 0.809 692 HB2 LEU 91 HB2 LEU 91 -9.286 0.346 -0.814 693 HB3 LEU 91 HB3 LEU 91 -8.080 1.066 0.233 694 HG LEU 91 HG LEU 91 -10.750 -0.070 1.215 695 HD11 LEU 91 HD11 LEU 91 -8.015 -1.346 1.121 696 HD12 LEU 91 HD12 LEU 91 -9.454 -1.817 0.179 697 HD13 LEU 91 HD13 LEU 91 -9.444 -2.017 1.944 698 HD21 LEU 91 HD21 LEU 91 -9.843 -0.010 3.417 699 HD22 LEU 91 HD22 LEU 91 -9.567 1.600 2.751 700 HD23 LEU 91 HD23 LEU 91 -8.232 0.433 2.849 701 H ARG 92 H ARG 92 -9.519 4.823 -0.455 702 HA ARG 92 HA ARG 92 -9.229 4.706 -3.386 703 HB2 ARG 92 HB2 ARG 92 -9.361 7.036 -1.427 704 HB3 ARG 92 HB3 ARG 92 -9.544 7.123 -3.176 705 HG2 ARG 92 HG2 ARG 92 -11.581 5.716 -2.975 706 HG3 ARG 92 HG3 ARG 92 -11.428 5.723 -1.218 707 HD2 ARG 92 HD2 ARG 92 -11.836 8.139 -2.999 708 HD3 ARG 92 HD3 ARG 92 -12.968 7.464 -1.839 709 HE ARG 92 HE ARG 92 -10.737 9.250 -1.342 710 HH11 ARG 92 HH11 ARG 92 -13.358 7.317 0.182 711 HH12 ARG 92 HH12 ARG 92 -13.060 8.014 1.756 712 HH21 ARG 92 HH21 ARG 92 -10.527 10.251 0.868 713 HH22 ARG 92 HH22 ARG 92 -11.674 9.809 2.012 714 H TYR 93 H TYR 93 -7.045 4.183 -3.903 715 HA TYR 93 HA TYR 93 -4.942 5.360 -2.182 716 HB2 TYR 93 HB2 TYR 93 -4.694 3.523 -4.555 717 HB3 TYR 93 HB3 TYR 93 -3.368 4.196 -3.610 718 HD1 TYR 93 HD2 TYR 93 -6.428 2.028 -3.317 719 HD2 TYR 93 HD1 TYR 93 -2.688 3.255 -1.527 720 HE1 TYR 93 HE2 TYR 93 -6.649 0.249 -1.606 721 HE2 TYR 93 HE1 TYR 93 -2.908 1.461 0.154 722 HH TYR 93 HH TYR 93 -4.134 -0.369 0.893 723 H GLY 94 H GLY 94 -3.291 6.874 -2.807 724 HA2 GLY 94 HA2 GLY 94 -3.952 8.756 -4.768 725 HA3 GLY 94 HA3 GLY 94 -3.154 8.805 -3.214 726 H LYS 95 H LYS 95 -2.028 10.112 -5.313 727 HA LYS 95 HA LYS 95 -0.216 8.472 -6.847 728 HB2 LYS 95 HB2 LYS 95 -1.076 10.654 -7.593 729 HB3 LYS 95 HB3 LYS 95 -0.245 11.467 -6.261 730 HG2 LYS 95 HG2 LYS 95 1.912 10.942 -7.216 731 HG3 LYS 95 HG3 LYS 95 1.166 9.859 -8.410 732 HD2 LYS 95 HD2 LYS 95 0.676 12.859 -8.331 733 HD3 LYS 95 HD3 LYS 95 1.961 12.073 -9.250 734 HE2 LYS 95 HE2 LYS 95 -0.219 10.563 -10.001 735 HE3 LYS 95 HE3 LYS 95 -0.950 12.164 -9.816 736 HZ1 LYS 95 HZ1 LYS 95 -0.093 11.719 -12.047 737 HZ2 LYS 95 HZ2 LYS 95 1.408 11.496 -11.499 738 HZ3 LYS 95 HZ3 LYS 95 0.741 12.988 -11.399 739 H VAL 96 H VAL 96 2.317 8.870 -6.534 740 HA VAL 96 HA VAL 96 2.951 8.896 -3.643 741 HB VAL 96 HB VAL 96 4.203 7.208 -5.843 742 HG11 VAL 96 HG11 VAL 96 5.820 7.737 -4.050 743 HG12 VAL 96 HG12 VAL 96 4.647 7.221 -2.826 744 HG13 VAL 96 HG13 VAL 96 5.333 6.046 -3.966 745 HG21 VAL 96 HG21 VAL 96 2.336 6.421 -3.549 746 HG22 VAL 96 HG22 VAL 96 1.955 6.357 -5.290 747 HG23 VAL 96 HG23 VAL 96 3.189 5.290 -4.620 748 H TYR 97 H TYR 97 4.779 9.968 -2.994 749 HA TYR 97 HA TYR 97 6.258 11.575 -4.978 750 HB2 TYR 97 HB2 TYR 97 5.494 12.583 -2.230 751 HB3 TYR 97 HB3 TYR 97 6.002 13.503 -3.604 752 HD1 TYR 97 HD2 TYR 97 3.129 11.733 -2.016 753 HD2 TYR 97 HD1 TYR 97 4.415 14.244 -5.253 754 HE1 TYR 97 HE2 TYR 97 0.777 12.185 -2.562 755 HE2 TYR 97 HE1 TYR 97 2.041 14.726 -5.823 756 HH TYR 97 HH TYR 97 -0.721 13.107 -4.123 757 H SER 98 H SER 98 8.223 12.530 -3.687 758 HA SER 98 HA SER 98 9.462 10.346 -2.069 759 HB2 SER 98 HB2 SER 98 10.427 10.919 -4.314 760 HB3 SER 98 HB3 SER 98 10.799 12.538 -3.714 761 HG SER 98 HG SER 98 12.300 11.622 -2.349 762 H THR 99 H THR 99 10.818 11.050 -0.362 763 HA THR 99 HA THR 99 9.819 13.518 0.953 764 HB THR 99 HB THR 99 11.157 12.754 2.844 765 HG1 THR 99 HG1 THR 99 11.616 10.298 1.450 766 HG21 THR 99 HG21 THR 99 9.240 10.622 1.837 767 HG22 THR 99 HG22 THR 99 8.843 12.060 2.815 768 HG23 THR 99 HG23 THR 99 9.844 10.775 3.499 769 H ASN 100 H ASN 100 11.628 14.959 1.912 770 HA ASN 100 HA ASN 100 13.435 15.702 -0.244 771 HB2 ASN 100 HB2 ASN 100 13.912 17.642 1.181 772 HB3 ASN 100 HB3 ASN 100 12.193 17.436 0.877 773 HD21 ASN 100 HD21 ASN 100 14.557 17.802 3.343 774 HD22 ASN 100 HD22 ASN 100 13.496 17.469 4.721 775 H GLU 101 H GLU 101 14.368 13.346 0.205 776 HA GLU 101 HA GLU 101 16.218 12.970 2.400 777 HB2 GLU 101 HB2 GLU 101 15.833 11.720 -0.337 778 HB3 GLU 101 HB3 GLU 101 17.193 11.250 0.667 779 HG2 GLU 101 HG2 GLU 101 15.736 10.471 2.446 780 HG3 GLU 101 HG3 GLU 101 14.315 11.067 1.570 781 H ASP 102 H ASP 102 16.414 14.538 -0.643 782 HA ASP 102 HA ASP 102 17.759 15.519 -1.920 783 HB2 ASP 102 HB2 ASP 102 18.518 16.393 0.817 784 HB3 ASP 102 HB3 ASP 102 19.621 16.736 -0.495 785 H SER 103 H SER 103 18.993 12.880 -0.436 786 HA SER 103 HA SER 103 21.495 12.739 -1.998 787 HB2 SER 103 HB2 SER 103 20.421 11.207 0.380 788 HB3 SER 103 HB3 SER 103 21.996 10.924 -0.399 789 HG SER 103 HG SER 103 22.101 12.277 1.435 790 H ASP 104 H ASP 104 21.817 10.127 -2.518 791 HA ASP 104 HA ASP 104 19.642 9.640 -4.359 792 HB2 ASP 104 HB2 ASP 104 21.055 8.347 -5.592 793 HB3 ASP 104 HB3 ASP 104 22.164 9.508 -4.873 794 H ALA 105 H ALA 105 20.258 8.527 -1.240 795 HA ALA 105 HA ALA 105 19.814 5.913 -0.955 796 HB1 ALA 105 HB1 ALA 105 19.945 7.406 0.922 797 HB2 ALA 105 HB2 ALA 105 18.319 8.055 0.559 798 HB3 ALA 105 HB3 ALA 105 18.516 6.364 1.073 799 H LYS 106 H LYS 106 16.965 8.044 -1.448 800 HA LYS 106 HA LYS 106 14.883 7.560 -2.185 801 HB2 LYS 106 HB2 LYS 106 16.160 7.088 -4.225 802 HB3 LYS 106 HB3 LYS 106 16.250 5.398 -3.781 803 HG2 LYS 106 HG2 LYS 106 14.274 4.968 -4.688 804 HG3 LYS 106 HG3 LYS 106 13.475 6.149 -3.664 805 HD2 LYS 106 HD2 LYS 106 14.857 6.772 -6.301 806 HD3 LYS 106 HD3 LYS 106 13.116 6.529 -6.100 807 HE2 LYS 106 HE2 LYS 106 14.787 8.739 -4.826 808 HE3 LYS 106 HE3 LYS 106 13.673 8.924 -6.187 809 HZ1 LYS 106 HZ1 LYS 106 12.949 8.187 -3.412 810 HZ2 LYS 106 HZ2 LYS 106 11.884 8.220 -4.659 811 HZ3 LYS 106 HZ3 LYS 106 12.663 9.592 -4.100 812 H ASP 107 H ASP 107 15.358 6.627 0.453 813 HA ASP 107 HA ASP 107 14.090 3.931 0.370 814 HB2 ASP 107 HB2 ASP 107 15.226 3.149 2.054 815 HB3 ASP 107 HB3 ASP 107 16.438 4.221 1.388 816 H GLU 108 H GLU 108 13.564 7.237 1.503 817 HA GLU 108 HA GLU 108 10.994 6.186 2.729 818 HB2 GLU 108 HB2 GLU 108 12.916 8.333 3.418 819 HB3 GLU 108 HB3 GLU 108 11.149 8.632 3.703 820 HG2 GLU 108 HG2 GLU 108 10.975 6.772 5.267 821 HG3 GLU 108 HG3 GLU 108 12.663 6.355 4.965 822 H ILE 109 H ILE 109 9.111 6.920 1.815 823 HA ILE 109 HA ILE 109 9.195 9.108 -0.211 824 HB ILE 109 HB ILE 109 7.795 7.623 -1.663 825 HG12 ILE 109 HG12 ILE 109 8.258 5.031 -0.946 826 HG13 ILE 109 HG13 ILE 109 8.049 5.742 0.653 827 HG21 ILE 109 HG21 ILE 109 10.504 6.402 -1.055 828 HG22 ILE 109 HG22 ILE 109 9.542 6.229 -2.531 829 HG23 ILE 109 HG23 ILE 109 10.178 7.817 -2.093 830 HD11 ILE 109 HD11 ILE 109 5.931 5.034 -0.051 831 HD12 ILE 109 HD12 ILE 109 5.891 6.766 -0.176 832 HD13 ILE 109 HD13 ILE 109 6.115 5.790 -1.649 833 H ILE 110 H ILE 110 6.604 9.330 -0.937 834 HA ILE 110 HA ILE 110 5.034 9.335 1.570 835 HB ILE 110 HB ILE 110 5.040 11.570 -0.458 836 HG12 ILE 110 HG12 ILE 110 6.613 11.278 2.111 837 HG13 ILE 110 HG13 ILE 110 7.270 11.490 0.482 838 HG21 ILE 110 HG21 ILE 110 2.977 11.263 0.902 839 HG22 ILE 110 HG22 ILE 110 3.958 11.358 2.372 840 HG23 ILE 110 HG23 ILE 110 3.803 12.770 1.300 841 HD11 ILE 110 HD11 ILE 110 6.137 13.662 0.357 842 HD12 ILE 110 HD12 ILE 110 5.896 13.546 2.133 843 HD13 ILE 110 HD13 ILE 110 7.538 13.512 1.454 844 H VAL 111 H VAL 111 3.387 8.038 1.273 845 HA VAL 111 HA VAL 111 2.229 7.558 -1.430 846 HB VAL 111 HB VAL 111 2.436 6.130 1.222 847 HG11 VAL 111 HG11 VAL 111 0.786 4.461 0.672 848 HG12 VAL 111 HG12 VAL 111 0.003 6.003 0.819 849 HG13 VAL 111 HG13 VAL 111 0.306 5.347 -0.804 850 HG21 VAL 111 HG21 VAL 111 2.620 4.893 -1.515 851 HG22 VAL 111 HG22 VAL 111 3.902 5.933 -0.941 852 HG23 VAL 111 HG23 VAL 111 3.494 4.504 0.001 853 H GLU 112 H GLU 112 0.157 8.321 -1.893 854 HA GLU 112 HA GLU 112 -1.187 9.799 0.299 855 HB2 GLU 112 HB2 GLU 112 -0.787 10.868 -1.874 856 HB3 GLU 112 HB3 GLU 112 -1.502 9.615 -2.654 857 HG2 GLU 112 HG2 GLU 112 -3.714 10.228 -1.415 858 HG3 GLU 112 HG3 GLU 112 -2.881 11.661 -0.841 859 H PHE 113 H PHE 113 -3.237 9.090 1.005 860 HA PHE 113 HA PHE 113 -4.583 6.898 -0.375 861 HB2 PHE 113 HB2 PHE 113 -2.793 5.961 1.242 862 HB3 PHE 113 HB3 PHE 113 -3.777 6.617 2.542 863 HD1 PHE 113 HD2 PHE 113 -6.233 5.501 0.353 864 HD2 PHE 113 HD1 PHE 113 -3.107 3.930 2.820 865 HE1 PHE 113 HE2 PHE 113 -7.481 3.450 0.548 866 HE2 PHE 113 HE1 PHE 113 -4.421 1.812 3.067 867 HZ PHE 113 HZ PHE 113 -6.663 1.638 1.982 868 H ASN 114 H ASN 114 -6.739 7.231 -0.143 869 HA ASN 114 HA ASN 114 -8.693 8.207 0.249 870 HB2 ASN 114 HB2 ASN 114 -7.823 8.349 3.140 871 HB3 ASN 114 HB3 ASN 114 -9.463 8.266 2.546 872 HD21 ASN 114 HD21 ASN 114 -10.165 6.105 1.522 873 HD22 ASN 114 HD22 ASN 114 -9.312 4.712 2.179 874 H ARG 115 H ARG 115 -6.575 10.038 -0.512 875 HA ARG 115 HA ARG 115 -6.365 12.241 -0.917 876 HB2 ARG 115 HB2 ARG 115 -8.988 12.804 0.500 877 HB3 ARG 115 HB3 ARG 115 -8.140 13.828 -0.632 878 HG2 ARG 115 HG2 ARG 115 -9.409 11.130 -1.291 879 HG3 ARG 115 HG3 ARG 115 -10.081 12.708 -1.664 880 HD2 ARG 115 HD2 ARG 115 -7.431 11.658 -2.752 881 HD3 ARG 115 HD3 ARG 115 -8.969 11.572 -3.593 882 HE ARG 115 HE ARG 115 -9.117 13.980 -3.606 883 HH11 ARG 115 HH11 ARG 115 -5.734 12.762 -3.133 884 HH12 ARG 115 HH12 ARG 115 -5.250 14.297 -2.509 885 HH21 ARG 115 HH21 ARG 115 -8.139 16.048 -3.589 886 HH22 ARG 115 HH22 ARG 115 -6.449 16.222 -3.232 887 H GLU 116 H GLU 116 -4.974 11.111 1.153 888 HA GLU 116 HA GLU 116 -4.288 13.491 2.699 889 HB2 GLU 116 HB2 GLU 116 -4.770 10.736 3.903 890 HB3 GLU 116 HB3 GLU 116 -3.934 12.073 4.706 891 HG2 GLU 116 HG2 GLU 116 -6.153 13.364 4.317 892 HG3 GLU 116 HG3 GLU 116 -6.849 11.777 3.989 893 H TYR 117 H TYR 117 -2.003 13.372 3.189 894 HA TYR 117 HA TYR 117 -0.532 11.428 1.470 895 HB2 TYR 117 HB2 TYR 117 0.572 13.952 2.696 896 HB3 TYR 117 HB3 TYR 117 1.234 13.016 1.396 897 HD1 TYR 117 HD1 TYR 117 -0.512 12.809 -0.727 898 HD2 TYR 117 HD2 TYR 117 -0.659 15.908 2.255 899 HE1 TYR 117 HE1 TYR 117 -1.562 14.351 -2.379 900 HE2 TYR 117 HE2 TYR 117 -1.786 17.411 0.667 901 HH TYR 117 HH TYR 117 -2.303 17.763 -1.611 902 H TYR 118 H TYR 118 0.894 9.991 2.382 903 HA TYR 118 HA TYR 118 1.497 10.331 5.310 904 HB2 TYR 118 HB2 TYR 118 0.688 7.815 3.853 905 HB3 TYR 118 HB3 TYR 118 1.263 7.891 5.521 906 HD1 TYR 118 HD1 TYR 118 -1.527 8.717 3.226 907 HD2 TYR 118 HD2 TYR 118 -0.172 8.672 7.330 908 HE1 TYR 118 HE1 TYR 118 -3.838 8.877 3.969 909 HE2 TYR 118 HE2 TYR 118 -2.509 8.904 8.104 910 HH TYR 118 HH TYR 118 -5.209 9.652 6.329 911 H ARG 119 H ARG 119 3.563 10.217 5.807 912 HA ARG 119 HA ARG 119 5.526 9.647 3.742 913 HB2 ARG 119 HB2 ARG 119 5.885 11.354 5.502 914 HB3 ARG 119 HB3 ARG 119 6.011 10.086 6.737 915 HG2 ARG 119 HG2 ARG 119 7.686 10.015 4.218 916 HG3 ARG 119 HG3 ARG 119 8.143 11.140 5.494 917 HD2 ARG 119 HD2 ARG 119 7.832 8.156 6.058 918 HD3 ARG 119 HD3 ARG 119 9.306 8.898 5.391 919 HE ARG 119 HE ARG 119 8.564 10.382 7.661 920 HH11 ARG 119 HH11 ARG 119 9.697 7.089 6.954 921 HH12 ARG 119 HH12 ARG 119 10.645 6.961 8.401 922 HH21 ARG 119 HH21 ARG 119 9.963 10.236 9.491 923 HH22 ARG 119 HH22 ARG 119 10.659 8.736 9.958 924 H ALA 120 H ALA 120 6.421 7.793 3.341 925 HA ALA 120 HA ALA 120 5.969 5.502 5.147 926 HB1 ALA 120 HB1 ALA 120 4.685 5.522 2.925 927 HB2 ALA 120 HB2 ALA 120 6.267 5.329 2.148 928 HB3 ALA 120 HB3 ALA 120 5.678 4.084 3.269 929 H VAL 121 H VAL 121 7.643 3.690 4.717 930 HA VAL 121 HA VAL 121 10.313 4.650 3.887 931 HB VAL 121 HB VAL 121 10.077 5.086 6.240 932 HG11 VAL 121 HG11 VAL 121 9.840 3.567 7.955 933 HG12 VAL 121 HG12 VAL 121 8.426 3.835 6.929 934 HG13 VAL 121 HG13 VAL 121 9.356 2.302 6.782 935 HG21 VAL 121 HG21 VAL 121 12.304 4.239 5.299 936 HG22 VAL 121 HG22 VAL 121 12.091 4.109 7.051 937 HG23 VAL 121 HG23 VAL 121 11.889 2.673 6.037 938 H LEU 122 H LEU 122 11.662 3.035 3.131 939 HA LEU 122 HA LEU 122 10.359 0.739 2.051 940 HB2 LEU 122 HB2 LEU 122 12.337 2.094 1.140 941 HB3 LEU 122 HB3 LEU 122 13.352 1.268 2.318 942 HG LEU 122 HG LEU 122 12.628 -0.894 1.304 943 HD11 LEU 122 HD11 LEU 122 11.247 1.016 -0.591 944 HD12 LEU 122 HD12 LEU 122 10.567 -0.443 0.179 945 HD13 LEU 122 HD13 LEU 122 11.714 -0.568 -1.161 946 HD21 LEU 122 HD21 LEU 122 14.776 0.140 0.547 947 HD22 LEU 122 HD22 LEU 122 13.892 1.070 -0.667 948 HD23 LEU 122 HD23 LEU 122 13.971 -0.690 -0.806 949 H ILE 123 H ILE 123 10.160 -1.405 2.873 950 HA ILE 123 HA ILE 123 11.062 -1.758 5.705 951 HB ILE 123 HB ILE 123 9.120 -3.306 3.926 952 HG12 ILE 123 HG12 ILE 123 8.350 -1.815 6.421 953 HG13 ILE 123 HG13 ILE 123 8.536 -0.907 4.920 954 HG21 ILE 123 HG21 ILE 123 8.493 -4.530 6.007 955 HG22 ILE 123 HG22 ILE 123 10.200 -4.772 5.658 956 HG23 ILE 123 HG23 ILE 123 9.729 -3.633 6.919 957 HD11 ILE 123 HD11 ILE 123 6.766 -3.364 5.047 958 HD12 ILE 123 HD12 ILE 123 6.178 -1.713 5.318 959 HD13 ILE 123 HD13 ILE 123 6.935 -2.125 3.779 960 H LYS 124 H LYS 124 10.940 -3.619 2.566 961 HA LYS 124 HA LYS 124 12.775 -5.520 3.247 962 HB2 LYS 124 HB2 LYS 124 13.009 -5.761 0.815 963 HB3 LYS 124 HB3 LYS 124 11.424 -5.936 1.427 964 HG2 LYS 124 HG2 LYS 124 11.366 -4.857 -0.696 965 HG3 LYS 124 HG3 LYS 124 10.868 -3.696 0.515 966 HD2 LYS 124 HD2 LYS 124 12.296 -2.627 -1.108 967 HD3 LYS 124 HD3 LYS 124 13.076 -2.682 0.468 968 HE2 LYS 124 HE2 LYS 124 14.768 -2.940 -1.069 969 HE3 LYS 124 HE3 LYS 124 14.537 -4.523 -0.317 970 HZ1 LYS 124 HZ1 LYS 124 13.709 -5.359 -2.242 971 HZ2 LYS 124 HZ2 LYS 124 14.849 -4.348 -2.805 972 HZ3 LYS 124 HZ3 LYS 124 13.258 -3.920 -2.917 973 H ASN 125 H ASN 125 13.669 -2.420 3.365 974 HA ASN 125 HA ASN 125 16.267 -2.466 2.043 975 HB2 ASN 125 HB2 ASN 125 14.954 -0.363 2.731 976 HB3 ASN 125 HB3 ASN 125 15.299 -0.766 4.410 977 HD21 ASN 125 HD21 ASN 125 16.103 1.535 3.925 978 HD22 ASN 125 HD22 ASN 125 17.772 1.763 3.418 979 H GLU 126 H GLU 126 14.746 -3.119 5.232 980 HA GLU 126 HA GLU 126 17.253 -4.047 6.399 981 HB2 GLU 126 HB2 GLU 126 16.111 -4.332 8.387 982 HB3 GLU 126 HB3 GLU 126 15.659 -2.725 7.759 983 HG2 GLU 126 HG2 GLU 126 13.479 -3.398 7.342 984 HG3 GLU 126 HG3 GLU 126 13.814 -5.119 7.544 985 H LYS 127 H LYS 127 17.020 -6.258 7.606 986 HA LYS 127 HA LYS 127 15.640 -8.268 5.901 987 HB2 LYS 127 HB2 LYS 127 18.495 -8.436 6.890 988 HB3 LYS 127 HB3 LYS 127 17.625 -9.665 5.982 989 HG2 LYS 127 HG2 LYS 127 18.737 -8.764 4.224 990 HG3 LYS 127 HG3 LYS 127 17.328 -7.720 4.208 991 HD2 LYS 127 HD2 LYS 127 19.038 -6.212 3.945 992 HD3 LYS 127 HD3 LYS 127 18.806 -6.083 5.678 993 HE2 LYS 127 HE2 LYS 127 20.899 -7.798 4.266 994 HE3 LYS 127 HE3 LYS 127 21.185 -6.188 4.916 995 HZ1 LYS 127 HZ1 LYS 127 20.686 -7.029 7.121 996 HZ2 LYS 127 HZ2 LYS 127 21.927 -7.882 6.399 997 HZ3 LYS 127 HZ3 LYS 127 20.425 -8.532 6.554 998 H GLU 128 H GLU 128 14.928 -7.032 8.476 999 HA GLU 128 HA GLU 128 14.986 -9.393 10.288 1000 HB2 GLU 128 HB2 GLU 128 15.111 -6.393 10.857 1001 HB3 GLU 128 HB3 GLU 128 14.543 -7.555 12.040 1002 HG2 GLU 128 HG2 GLU 128 16.742 -7.309 12.649 1003 HG3 GLU 128 HG3 GLU 128 16.758 -8.804 11.743 Start of MODEL 15 1 H1 GLY 1 H GLY 1 36.846 -26.315 12.092 2 HA2 GLY 1 HA2 GLY 1 35.008 -25.050 14.064 3 HA3 GLY 1 HA3 GLY 1 36.674 -24.480 13.772 4 H SER 2 H SER 2 34.345 -22.768 13.309 5 HA SER 2 HA SER 2 33.815 -22.861 10.441 6 HB2 SER 2 HB2 SER 2 32.139 -22.074 12.166 7 HB3 SER 2 HB3 SER 2 33.173 -20.659 12.452 8 HG SER 2 HG SER 2 31.387 -20.501 10.822 9 H THR 3 H THR 3 34.133 -20.658 9.345 10 HA THR 3 HA THR 3 36.835 -19.488 9.851 11 HB THR 3 HB THR 3 37.086 -19.441 7.343 12 HG1 THR 3 HG1 THR 3 35.738 -20.975 6.231 13 HG21 THR 3 HG21 THR 3 38.192 -21.215 8.704 14 HG22 THR 3 HG22 THR 3 37.759 -21.774 7.080 15 HG23 THR 3 HG23 THR 3 36.776 -22.261 8.476 16 H MET 4 H MET 4 33.479 -19.073 8.873 17 HA MET 4 HA MET 4 32.175 -17.362 8.367 18 HB2 MET 4 HB2 MET 4 32.941 -16.958 10.775 19 HB3 MET 4 HB3 MET 4 33.912 -15.625 10.130 20 HG2 MET 4 HG2 MET 4 31.874 -14.558 9.259 21 HG3 MET 4 HG3 MET 4 30.906 -15.957 9.729 22 HE1 MET 4 HE1 MET 4 30.311 -12.906 10.290 23 HE2 MET 4 HE2 MET 4 29.208 -14.204 10.815 24 HE3 MET 4 HE3 MET 4 29.717 -12.947 11.963 25 H HIS 5 H HIS 5 34.922 -17.522 6.829 26 HA HIS 5 HA HIS 5 35.354 -14.930 5.702 27 HB2 HIS 5 HB2 HIS 5 36.958 -16.901 6.042 28 HB3 HIS 5 HB3 HIS 5 36.212 -17.646 4.631 29 HD1 HIS 5 HD1 HIS 5 36.330 -15.786 2.399 30 HD2 HIS 5 HD2 HIS 5 39.105 -15.565 5.551 31 HE1 HIS 5 HE1 HIS 5 38.406 -14.533 1.481 32 H PHE 6 H PHE 6 32.607 -15.408 5.478 33 HA PHE 6 HA PHE 6 32.186 -15.498 2.539 34 HB2 PHE 6 HB2 PHE 6 30.561 -16.993 4.636 35 HB3 PHE 6 HB3 PHE 6 30.040 -16.706 2.982 36 HD1 PHE 6 HD1 PHE 6 32.554 -18.502 5.074 37 HD2 PHE 6 HD2 PHE 6 30.894 -17.989 1.121 38 HE1 PHE 6 HE1 PHE 6 33.708 -20.567 4.312 39 HE2 PHE 6 HE2 PHE 6 32.067 -20.025 0.370 40 HZ PHE 6 HZ PHE 6 33.459 -21.331 1.952 41 H THR 7 H THR 7 31.845 -13.316 2.311 42 HA THR 7 HA THR 7 29.677 -12.057 3.888 43 HB THR 7 HB THR 7 31.133 -9.934 3.329 44 HG1 THR 7 HG1 THR 7 33.310 -11.525 3.899 45 HG21 THR 7 HG21 THR 7 31.870 -11.901 5.557 46 HG22 THR 7 HG22 THR 7 30.558 -10.710 5.600 47 HG23 THR 7 HG23 THR 7 32.235 -10.157 5.538 48 H ASP 8 H ASP 8 28.008 -11.884 2.576 49 HA ASP 8 HA ASP 8 28.228 -10.832 -0.116 50 HB2 ASP 8 HB2 ASP 8 28.546 -13.422 -0.236 51 HB3 ASP 8 HB3 ASP 8 26.874 -13.531 0.292 52 H ASP 9 H ASP 9 25.845 -10.570 -0.956 53 HA ASP 9 HA ASP 9 23.644 -10.823 0.729 54 HB2 ASP 9 HB2 ASP 9 23.216 -8.788 1.598 55 HB3 ASP 9 HB3 ASP 9 24.958 -8.684 1.706 56 H ASN 10 H ASN 10 21.729 -10.153 -0.522 57 HA ASN 10 HA ASN 10 22.108 -9.213 -3.257 58 HB2 ASN 10 HB2 ASN 10 21.949 -12.039 -2.703 59 HB3 ASN 10 HB3 ASN 10 20.363 -11.547 -3.271 60 HD21 ASN 10 HD21 ASN 10 20.177 -11.791 -5.484 61 HD22 ASN 10 HD22 ASN 10 21.577 -11.760 -6.536 62 H GLU 11 H GLU 11 19.908 -8.472 -4.062 63 HA GLU 11 HA GLU 11 18.294 -7.536 -1.884 64 HB2 GLU 11 HB2 GLU 11 16.879 -6.551 -3.481 65 HB3 GLU 11 HB3 GLU 11 18.545 -6.357 -4.072 66 HG2 GLU 11 HG2 GLU 11 18.101 -8.359 -5.564 67 HG3 GLU 11 HG3 GLU 11 16.422 -8.326 -5.057 68 H ASN 12 H ASN 12 15.977 -8.001 -1.568 69 HA ASN 12 HA ASN 12 14.897 -10.562 -2.467 70 HB2 ASN 12 HB2 ASN 12 15.575 -9.918 0.434 71 HB3 ASN 12 HB3 ASN 12 14.282 -11.018 0.007 72 HD21 ASN 12 HD21 ASN 12 15.488 -12.496 -2.229 73 HD22 ASN 12 HD22 ASN 12 16.952 -13.213 -1.620 74 H ASP 13 H ASP 13 13.495 -9.303 -3.537 75 HA ASP 13 HA ASP 13 12.090 -7.076 -2.344 76 HB2 ASP 13 HB2 ASP 13 11.961 -8.546 -4.989 77 HB3 ASP 13 HB3 ASP 13 10.628 -7.498 -4.542 78 H THR 14 H THR 14 9.748 -6.895 -2.349 79 HA THR 14 HA THR 14 8.635 -8.706 -0.482 80 HB THR 14 HB THR 14 8.001 -6.326 -0.573 81 HG1 THR 14 HG1 THR 14 6.585 -7.783 0.294 82 HG21 THR 14 HG21 THR 14 6.314 -6.848 -3.067 83 HG22 THR 14 HG22 THR 14 7.887 -6.032 -3.144 84 HG23 THR 14 HG23 THR 14 6.551 -5.337 -2.226 85 H SER 15 H SER 15 7.954 -8.109 -3.860 86 HA SER 15 HA SER 15 7.099 -9.262 -5.566 87 HB2 SER 15 HB2 SER 15 9.011 -10.781 -4.804 88 HB3 SER 15 HB3 SER 15 7.770 -11.839 -4.120 89 HG SER 15 HG SER 15 6.879 -12.003 -6.230 90 H GLU 16 H GLU 16 5.148 -8.153 -4.410 91 HA GLU 16 HA GLU 16 2.958 -10.008 -4.408 92 HB2 GLU 16 HB2 GLU 16 2.124 -9.664 -2.299 93 HB3 GLU 16 HB3 GLU 16 3.842 -9.879 -1.987 94 HG2 GLU 16 HG2 GLU 16 4.042 -7.381 -1.777 95 HG3 GLU 16 HG3 GLU 16 2.284 -7.300 -1.878 96 H THR 17 H THR 17 0.848 -8.380 -4.130 97 HA THR 17 HA THR 17 1.536 -5.860 -5.563 98 HB THR 17 HB THR 17 0.759 -7.493 -7.206 99 HG1 THR 17 HG1 THR 17 0.067 -5.637 -7.863 100 HG21 THR 17 HG21 THR 17 -0.609 -9.002 -5.927 101 HG22 THR 17 HG22 THR 17 -1.641 -8.241 -7.147 102 HG23 THR 17 HG23 THR 17 -1.721 -7.697 -5.454 103 H MET 18 H MET 18 -0.498 -4.329 -5.499 104 HA MET 18 HA MET 18 -0.882 -3.693 -2.795 105 HB2 MET 18 HB2 MET 18 -2.219 -2.900 -5.407 106 HB3 MET 18 HB3 MET 18 -2.886 -2.299 -3.895 107 HG2 MET 18 HG2 MET 18 0.057 -2.053 -4.111 108 HG3 MET 18 HG3 MET 18 -0.815 -1.120 -5.303 109 HE1 MET 18 HE1 MET 18 -1.067 -1.956 -1.426 110 HE2 MET 18 HE2 MET 18 -1.850 -0.483 -0.824 111 HE3 MET 18 HE3 MET 18 -2.751 -1.586 -1.850 112 H GLU 19 H GLU 19 -2.924 -5.571 -5.067 113 HA GLU 19 HA GLU 19 -5.214 -5.780 -3.388 114 HB2 GLU 19 HB2 GLU 19 -4.152 -7.604 -5.607 115 HB3 GLU 19 HB3 GLU 19 -5.727 -7.782 -4.810 116 HG2 GLU 19 HG2 GLU 19 -6.268 -5.433 -5.425 117 HG3 GLU 19 HG3 GLU 19 -4.763 -5.330 -6.355 118 H SER 20 H SER 20 -2.213 -7.852 -3.615 119 HA SER 20 HA SER 20 -2.974 -9.897 -1.870 120 HB2 SER 20 HB2 SER 20 -0.201 -8.647 -2.145 121 HB3 SER 20 HB3 SER 20 -0.599 -10.263 -1.565 122 HG SER 20 HG SER 20 -0.225 -10.749 -3.489 123 H LEU 21 H LEU 21 -1.884 -6.615 -1.192 124 HA LEU 21 HA LEU 21 -1.184 -7.113 1.600 125 HB2 LEU 21 HB2 LEU 21 -2.144 -4.515 0.238 126 HB3 LEU 21 HB3 LEU 21 -1.412 -4.651 1.814 127 HG LEU 21 HG LEU 21 -0.195 -4.829 -0.911 128 HD11 LEU 21 HD11 LEU 21 1.377 -3.261 0.103 129 HD12 LEU 21 HD12 LEU 21 0.673 -3.538 1.708 130 HD13 LEU 21 HD13 LEU 21 -0.305 -2.770 0.449 131 HD21 LEU 21 HD21 LEU 21 1.017 -6.134 1.551 132 HD22 LEU 21 HD22 LEU 21 1.926 -5.673 0.089 133 HD23 LEU 21 HD23 LEU 21 0.656 -6.878 -0.024 134 H ILE 22 H ILE 22 -4.002 -5.676 -0.063 135 HA ILE 22 HA ILE 22 -5.590 -5.469 2.257 136 HB ILE 22 HB ILE 22 -6.488 -5.816 -0.648 137 HG12 ILE 22 HG12 ILE 22 -6.005 -3.167 0.816 138 HG13 ILE 22 HG13 ILE 22 -4.767 -3.888 -0.191 139 HG21 ILE 22 HG21 ILE 22 -8.257 -6.063 1.056 140 HG22 ILE 22 HG22 ILE 22 -7.771 -4.540 1.811 141 HG23 ILE 22 HG23 ILE 22 -8.487 -4.548 0.174 142 HD11 ILE 22 HD11 ILE 22 -6.262 -3.880 -2.144 143 HD12 ILE 22 HD12 ILE 22 -7.492 -3.053 -1.161 144 HD13 ILE 22 HD13 ILE 22 -5.940 -2.263 -1.480 145 H ASP 23 H ASP 23 -5.159 -8.136 -0.078 146 HA ASP 23 HA ASP 23 -7.109 -9.965 0.720 147 HB2 ASP 23 HB2 ASP 23 -5.688 -10.161 -1.269 148 HB3 ASP 23 HB3 ASP 23 -4.307 -10.529 -0.249 149 H LYS 24 H LYS 24 -4.309 -8.968 2.530 150 HA LYS 24 HA LYS 24 -4.772 -11.127 4.568 151 HB2 LYS 24 HB2 LYS 24 -2.536 -11.391 4.747 152 HB3 LYS 24 HB3 LYS 24 -2.439 -10.596 3.204 153 HG2 LYS 24 HG2 LYS 24 -0.893 -9.395 4.332 154 HG3 LYS 24 HG3 LYS 24 -2.258 -8.367 4.634 155 HD2 LYS 24 HD2 LYS 24 -2.157 -10.354 6.766 156 HD3 LYS 24 HD3 LYS 24 -0.535 -9.734 6.483 157 HE2 LYS 24 HE2 LYS 24 -0.955 -7.682 7.342 158 HE3 LYS 24 HE3 LYS 24 -2.588 -7.619 6.662 159 HZ1 LYS 24 HZ1 LYS 24 -2.559 -7.596 9.036 160 HZ2 LYS 24 HZ2 LYS 24 -1.843 -9.048 9.143 161 HZ3 LYS 24 HZ3 LYS 24 -3.387 -8.883 8.511 162 H GLY 25 H GLY 25 -5.029 -7.757 3.940 163 HA2 GLY 25 HA2 GLY 25 -6.200 -6.270 5.371 164 HA3 GLY 25 HA3 GLY 25 -5.728 -7.195 6.778 165 H LYS 26 H LYS 26 -3.451 -6.238 4.225 166 HA LYS 26 HA LYS 26 -1.807 -4.772 6.206 167 HB2 LYS 26 HB2 LYS 26 -1.262 -6.036 3.551 168 HB3 LYS 26 HB3 LYS 26 -0.340 -4.590 3.960 169 HG2 LYS 26 HG2 LYS 26 0.328 -5.697 6.113 170 HG3 LYS 26 HG3 LYS 26 -0.397 -7.165 5.474 171 HD2 LYS 26 HD2 LYS 26 1.607 -5.795 3.700 172 HD3 LYS 26 HD3 LYS 26 2.213 -6.585 5.145 173 HE2 LYS 26 HE2 LYS 26 1.023 -8.670 4.524 174 HE3 LYS 26 HE3 LYS 26 0.447 -7.905 3.041 175 HZ1 LYS 26 HZ1 LYS 26 2.791 -7.766 2.317 176 HZ2 LYS 26 HZ2 LYS 26 2.334 -9.259 2.620 177 HZ3 LYS 26 HZ3 LYS 26 3.276 -8.480 3.719 178 H LEU 27 H LEU 27 -3.613 -3.133 6.347 179 HA LEU 27 HA LEU 27 -3.718 -1.231 4.043 180 HB2 LEU 27 HB2 LEU 27 -5.192 -1.076 6.702 181 HB3 LEU 27 HB3 LEU 27 -5.361 -0.006 5.341 182 HG LEU 27 HG LEU 27 -7.231 -1.355 5.211 183 HD11 LEU 27 HD11 LEU 27 -6.129 -1.175 2.989 184 HD12 LEU 27 HD12 LEU 27 -7.046 -2.687 3.170 185 HD13 LEU 27 HD13 LEU 27 -5.279 -2.713 3.294 186 HD21 LEU 27 HD21 LEU 27 -6.228 -3.177 6.758 187 HD22 LEU 27 HD22 LEU 27 -5.683 -3.932 5.253 188 HD23 LEU 27 HD23 LEU 27 -7.407 -3.671 5.515 189 H ASP 28 H ASP 28 -1.587 -1.783 6.535 190 HA ASP 28 HA ASP 28 -1.043 1.088 7.097 191 HB2 ASP 28 HB2 ASP 28 0.137 -1.439 8.300 192 HB3 ASP 28 HB3 ASP 28 0.627 0.243 8.727 193 H GLN 29 H GLN 29 -0.302 -0.943 4.613 194 HA GLN 29 HA GLN 29 2.118 0.522 3.971 195 HB2 GLN 29 HB2 GLN 29 3.246 -1.668 3.292 196 HB3 GLN 29 HB3 GLN 29 3.177 -1.272 5.003 197 HG2 GLN 29 HG2 GLN 29 0.845 -2.815 4.494 198 HG3 GLN 29 HG3 GLN 29 2.147 -3.596 3.634 199 HE21 GLN 29 HE21 GLN 29 4.341 -3.481 5.228 200 HE22 GLN 29 HE22 GLN 29 3.964 -3.907 6.887 201 H VAL 30 H VAL 30 2.736 -0.062 1.665 202 HA VAL 30 HA VAL 30 0.460 -0.907 -0.033 203 HB VAL 30 HB VAL 30 0.731 1.103 -1.404 204 HG11 VAL 30 HG11 VAL 30 -0.608 2.555 -0.118 205 HG12 VAL 30 HG12 VAL 30 -0.977 0.944 0.496 206 HG13 VAL 30 HG13 VAL 30 0.071 1.999 1.427 207 HG21 VAL 30 HG21 VAL 30 1.932 2.989 -0.753 208 HG22 VAL 30 HG22 VAL 30 2.321 2.367 0.876 209 HG23 VAL 30 HG23 VAL 30 3.085 1.689 -0.574 210 H VAL 31 H VAL 31 1.285 -1.040 -2.500 211 HA VAL 31 HA VAL 31 4.092 -1.678 -2.494 212 HB VAL 31 HB VAL 31 2.328 -3.056 -4.445 213 HG11 VAL 31 HG11 VAL 31 4.683 -3.193 -4.679 214 HG12 VAL 31 HG12 VAL 31 4.756 -4.050 -3.105 215 HG13 VAL 31 HG13 VAL 31 3.848 -4.744 -4.470 216 HG21 VAL 31 HG21 VAL 31 2.209 -5.059 -2.901 217 HG22 VAL 31 HG22 VAL 31 2.894 -4.062 -1.624 218 HG23 VAL 31 HG23 VAL 31 1.262 -3.694 -2.260 219 H TYR 32 H TYR 32 5.183 -0.885 -4.308 220 HA TYR 32 HA TYR 32 3.842 0.232 -6.632 221 HB2 TYR 32 HB2 TYR 32 3.652 2.247 -5.273 222 HB3 TYR 32 HB3 TYR 32 5.286 2.002 -4.621 223 HD1 TYR 32 HD1 TYR 32 3.848 2.081 -8.139 224 HD2 TYR 32 HD2 TYR 32 6.813 3.625 -5.398 225 HE1 TYR 32 HE1 TYR 32 4.907 3.329 -9.961 226 HE2 TYR 32 HE2 TYR 32 7.828 4.922 -7.167 227 HH TYR 32 HH TYR 32 7.505 5.640 -9.623 228 H ASP 33 H ASP 33 5.234 0.017 -8.308 229 HA ASP 33 HA ASP 33 6.976 -0.712 -9.486 230 HB2 ASP 33 HB2 ASP 33 7.603 1.600 -8.630 231 HB3 ASP 33 HB3 ASP 33 8.670 0.814 -7.477 232 H ASP 34 H ASP 34 6.159 -2.555 -7.406 233 HA ASP 34 HA ASP 34 6.677 -4.612 -6.602 234 HB2 ASP 34 HB2 ASP 34 8.178 -4.639 -8.726 235 HB3 ASP 34 HB3 ASP 34 9.535 -4.408 -7.608 236 H GLN 35 H GLN 35 7.044 -2.181 -5.091 237 HA GLN 35 HA GLN 35 9.110 -3.115 -3.139 238 HB2 GLN 35 HB2 GLN 35 8.494 -0.207 -3.584 239 HB3 GLN 35 HB3 GLN 35 9.748 -0.926 -2.587 240 HG2 GLN 35 HG2 GLN 35 9.680 -0.623 -5.587 241 HG3 GLN 35 HG3 GLN 35 10.808 -0.014 -4.412 242 HE21 GLN 35 HE21 GLN 35 11.037 -2.789 -3.112 243 HE22 GLN 35 HE22 GLN 35 11.970 -3.686 -4.284 244 H LEU 36 H LEU 36 8.687 -2.635 -1.018 245 HA LEU 36 HA LEU 36 5.773 -2.282 -0.457 246 HB2 LEU 36 HB2 LEU 36 6.787 -4.599 -0.200 247 HB3 LEU 36 HB3 LEU 36 7.748 -3.955 1.130 248 HG LEU 36 HG LEU 36 5.550 -3.364 2.253 249 HD11 LEU 36 HD11 LEU 36 4.052 -3.356 0.293 250 HD12 LEU 36 HD12 LEU 36 3.511 -4.524 1.500 251 HD13 LEU 36 HD13 LEU 36 4.368 -5.079 0.047 252 HD21 LEU 36 HD21 LEU 36 6.852 -5.415 2.768 253 HD22 LEU 36 HD22 LEU 36 5.924 -6.278 1.517 254 HD23 LEU 36 HD23 LEU 36 5.098 -5.671 2.960 255 H TYR 37 H TYR 37 5.383 -0.406 0.516 256 HA TYR 37 HA TYR 37 7.546 0.697 2.230 257 HB2 TYR 37 HB2 TYR 37 5.334 2.340 1.014 258 HB3 TYR 37 HB3 TYR 37 6.830 2.882 1.764 259 HD1 TYR 37 HD1 TYR 37 8.940 1.389 0.434 260 HD2 TYR 37 HD2 TYR 37 5.370 3.156 -1.158 261 HE1 TYR 37 HE1 TYR 37 10.088 1.706 -1.716 262 HE2 TYR 37 HE2 TYR 37 6.492 3.467 -3.334 263 HH TYR 37 HH TYR 37 9.839 2.299 -3.919 264 H HIS 38 H HIS 38 7.081 0.965 4.402 265 HA HIS 38 HA HIS 38 4.395 0.326 5.432 266 HB2 HIS 38 HB2 HIS 38 7.089 0.057 6.386 267 HB3 HIS 38 HB3 HIS 38 6.314 1.164 7.468 268 HD1 HIS 38 HD1 HIS 38 7.240 -1.687 8.436 269 HD2 HIS 38 HD2 HIS 38 3.337 -0.604 7.154 270 HE1 HIS 38 HE1 HIS 38 5.617 -3.305 9.538 271 H LEU 39 H LEU 39 2.998 1.880 5.942 272 HA LEU 39 HA LEU 39 3.662 4.700 5.629 273 HB2 LEU 39 HB2 LEU 39 1.195 3.472 6.910 274 HB3 LEU 39 HB3 LEU 39 1.367 5.076 6.208 275 HG LEU 39 HG LEU 39 1.408 2.487 4.619 276 HD11 LEU 39 HD11 LEU 39 -0.692 4.633 5.099 277 HD12 LEU 39 HD12 LEU 39 -0.756 2.938 5.579 278 HD13 LEU 39 HD13 LEU 39 -0.809 3.329 3.860 279 HD21 LEU 39 HD21 LEU 39 1.120 4.045 2.659 280 HD22 LEU 39 HD22 LEU 39 2.702 4.080 3.424 281 HD23 LEU 39 HD23 LEU 39 1.551 5.400 3.733 282 H LYS 40 H LYS 40 4.182 6.133 7.281 283 HA LYS 40 HA LYS 40 4.423 4.985 10.043 284 HB2 LYS 40 HB2 LYS 40 5.988 7.345 8.953 285 HB3 LYS 40 HB3 LYS 40 6.261 6.447 10.424 286 HG2 LYS 40 HG2 LYS 40 6.729 5.623 7.548 287 HG3 LYS 40 HG3 LYS 40 7.953 5.886 8.782 288 HD2 LYS 40 HD2 LYS 40 5.971 3.568 8.798 289 HD3 LYS 40 HD3 LYS 40 7.516 3.493 8.013 290 HE2 LYS 40 HE2 LYS 40 7.138 3.927 10.995 291 HE3 LYS 40 HE3 LYS 40 7.429 2.378 10.171 292 HZ1 LYS 40 HZ1 LYS 40 9.448 3.277 11.091 293 HZ2 LYS 40 HZ2 LYS 40 9.371 4.571 10.078 294 HZ3 LYS 40 HZ3 LYS 40 9.498 3.003 9.498 295 H GLU 41 H GLU 41 3.978 8.176 8.415 296 HA GLU 41 HA GLU 41 1.695 8.752 10.169 297 HB2 GLU 41 HB2 GLU 41 2.564 10.816 11.024 298 HB3 GLU 41 HB3 GLU 41 3.650 9.524 11.460 299 HG2 GLU 41 HG2 GLU 41 4.635 10.550 8.951 300 HG3 GLU 41 HG3 GLU 41 4.120 11.948 9.882 301 H LYS 42 H LYS 42 0.592 10.639 9.596 302 HA LYS 42 HA LYS 42 0.414 11.045 6.702 303 HB2 LYS 42 HB2 LYS 42 -1.502 11.000 8.480 304 HB3 LYS 42 HB3 LYS 42 -1.120 12.710 8.740 305 HG2 LYS 42 HG2 LYS 42 -1.747 11.512 6.013 306 HG3 LYS 42 HG3 LYS 42 -2.984 12.077 7.104 307 HD2 LYS 42 HD2 LYS 42 -0.946 14.143 6.771 308 HD3 LYS 42 HD3 LYS 42 -1.564 13.581 5.199 309 HE2 LYS 42 HE2 LYS 42 -3.866 13.961 6.021 310 HE3 LYS 42 HE3 LYS 42 -3.205 14.592 7.534 311 HZ1 LYS 42 HZ1 LYS 42 -3.781 16.250 5.713 312 HZ2 LYS 42 HZ2 LYS 42 -2.439 15.797 4.923 313 HZ3 LYS 42 HZ3 LYS 42 -2.324 16.441 6.420 314 H VAL 43 H VAL 43 1.033 12.983 5.580 315 HA VAL 43 HA VAL 43 2.438 15.097 7.080 316 HB VAL 43 HB VAL 43 4.272 15.037 5.510 317 HG11 VAL 43 HG11 VAL 43 4.378 13.685 7.626 318 HG12 VAL 43 HG12 VAL 43 3.947 12.251 6.670 319 HG13 VAL 43 HG13 VAL 43 5.452 13.121 6.340 320 HG21 VAL 43 HG21 VAL 43 3.022 12.553 4.299 321 HG22 VAL 43 HG22 VAL 43 3.233 14.140 3.508 322 HG23 VAL 43 HG23 VAL 43 4.648 13.186 3.962 323 H ASP 44 H ASP 44 2.924 16.923 5.310 324 HA ASP 44 HA ASP 44 0.317 17.352 3.963 325 HB2 ASP 44 HB2 ASP 44 1.234 18.941 5.786 326 HB3 ASP 44 HB3 ASP 44 2.411 19.453 4.574 327 H GLU 45 H GLU 45 0.446 18.831 2.035 328 HA GLU 45 HA GLU 45 2.105 17.625 -0.007 329 HB2 GLU 45 HB2 GLU 45 0.881 19.107 -1.515 330 HB3 GLU 45 HB3 GLU 45 -0.208 18.204 -0.463 331 HG2 GLU 45 HG2 GLU 45 -0.545 20.164 0.978 332 HG3 GLU 45 HG3 GLU 45 0.604 21.104 0.012 333 H ASP 46 H ASP 46 2.568 20.108 2.280 334 HA ASP 46 HA ASP 46 4.465 21.637 0.667 335 HB2 ASP 46 HB2 ASP 46 3.006 21.967 3.177 336 HB3 ASP 46 HB3 ASP 46 4.715 22.131 3.503 337 H LYS 47 H LYS 47 4.490 18.568 2.005 338 HA LYS 47 HA LYS 47 7.350 18.701 2.792 339 HB2 LYS 47 HB2 LYS 47 5.540 16.326 3.231 340 HB3 LYS 47 HB3 LYS 47 7.017 16.765 4.066 341 HG2 LYS 47 HG2 LYS 47 4.283 18.051 4.347 342 HG3 LYS 47 HG3 LYS 47 5.117 17.052 5.511 343 HD2 LYS 47 HD2 LYS 47 6.932 19.103 5.240 344 HD3 LYS 47 HD3 LYS 47 5.400 19.919 4.848 345 HE2 LYS 47 HE2 LYS 47 5.695 20.176 7.197 346 HE3 LYS 47 HE3 LYS 47 4.395 18.994 6.935 347 HZ1 LYS 47 HZ1 LYS 47 5.828 18.122 8.604 348 HZ2 LYS 47 HZ2 LYS 47 7.199 18.450 7.810 349 HZ3 LYS 47 HZ3 LYS 47 6.225 17.250 7.281 350 H LYS 48 H LYS 48 5.195 17.407 0.321 351 HA LYS 48 HA LYS 48 6.811 15.199 -0.479 352 HB2 LYS 48 HB2 LYS 48 5.763 15.513 -2.749 353 HB3 LYS 48 HB3 LYS 48 4.639 15.205 -1.420 354 HG2 LYS 48 HG2 LYS 48 3.826 17.372 -1.422 355 HG3 LYS 48 HG3 LYS 48 5.233 18.039 -2.266 356 HD2 LYS 48 HD2 LYS 48 4.500 16.753 -4.318 357 HD3 LYS 48 HD3 LYS 48 3.018 16.355 -3.445 358 HE2 LYS 48 HE2 LYS 48 2.505 18.240 -4.808 359 HE3 LYS 48 HE3 LYS 48 2.623 18.845 -3.152 360 HZ1 LYS 48 HZ1 LYS 48 4.723 19.115 -5.242 361 HZ2 LYS 48 HZ2 LYS 48 4.855 19.647 -3.679 362 HZ3 LYS 48 HZ3 LYS 48 3.745 20.281 -4.690 363 H GLY 49 H GLY 49 8.769 15.080 -1.397 364 HA2 GLY 49 HA2 GLY 49 10.238 17.479 -2.022 365 HA3 GLY 49 HA3 GLY 49 10.777 15.809 -2.204 366 H LYS 50 H LYS 50 9.285 14.616 -3.987 367 HA LYS 50 HA LYS 50 8.570 16.225 -6.324 368 HB2 LYS 50 HB2 LYS 50 10.303 14.983 -7.705 369 HB3 LYS 50 HB3 LYS 50 10.953 16.208 -6.612 370 HG2 LYS 50 HG2 LYS 50 11.564 14.409 -4.974 371 HG3 LYS 50 HG3 LYS 50 10.999 13.188 -6.129 372 HD2 LYS 50 HD2 LYS 50 12.969 15.160 -7.182 373 HD3 LYS 50 HD3 LYS 50 13.582 14.186 -5.878 374 HE2 LYS 50 HE2 LYS 50 12.292 13.006 -8.382 375 HE3 LYS 50 HE3 LYS 50 14.019 13.333 -8.213 376 HZ1 LYS 50 HZ1 LYS 50 12.485 11.414 -6.592 377 HZ2 LYS 50 HZ2 LYS 50 14.012 11.863 -6.254 378 HZ3 LYS 50 HZ3 LYS 50 13.660 11.079 -7.678 379 H VAL 51 H VAL 51 7.550 14.796 -7.970 380 HA VAL 51 HA VAL 51 6.186 12.529 -6.727 381 HB VAL 51 HB VAL 51 6.066 13.958 -9.386 382 HG11 VAL 51 HG11 VAL 51 5.801 11.591 -10.024 383 HG12 VAL 51 HG12 VAL 51 4.586 11.365 -8.734 384 HG13 VAL 51 HG13 VAL 51 4.268 12.427 -10.121 385 HG21 VAL 51 HG21 VAL 51 3.769 14.372 -8.768 386 HG22 VAL 51 HG22 VAL 51 3.922 13.318 -7.347 387 HG23 VAL 51 HG23 VAL 51 4.824 14.866 -7.435 388 H ILE 52 H ILE 52 6.370 10.351 -7.481 389 HA ILE 52 HA ILE 52 8.743 9.665 -9.132 390 HB ILE 52 HB ILE 52 9.359 7.867 -7.595 391 HG12 ILE 52 HG12 ILE 52 7.500 9.180 -5.559 392 HG13 ILE 52 HG13 ILE 52 7.131 7.688 -6.431 393 HG21 ILE 52 HG21 ILE 52 10.498 10.104 -7.599 394 HG22 ILE 52 HG22 ILE 52 9.516 10.560 -6.187 395 HG23 ILE 52 HG23 ILE 52 10.669 9.187 -6.117 396 HD11 ILE 52 HD11 ILE 52 9.394 8.111 -4.471 397 HD12 ILE 52 HD12 ILE 52 7.965 7.074 -4.308 398 HD13 ILE 52 HD13 ILE 52 9.203 6.660 -5.500 399 H GLY 53 H GLY 53 5.462 9.036 -8.206 400 HA2 GLY 53 HA2 GLY 53 4.884 7.495 -10.468 401 HA3 GLY 53 HA3 GLY 53 5.191 6.362 -9.133 402 H ALA 54 H ALA 54 2.624 6.098 -9.779 403 HA ALA 54 HA ALA 54 1.263 7.501 -7.639 404 HB1 ALA 54 HB1 ALA 54 0.236 7.439 -10.530 405 HB2 ALA 54 HB2 ALA 54 -0.612 8.164 -9.149 406 HB3 ALA 54 HB3 ALA 54 0.899 8.874 -9.763 407 H ILE 55 H ILE 55 -0.272 6.187 -6.555 408 HA ILE 55 HA ILE 55 -0.414 3.413 -7.478 409 HB ILE 55 HB ILE 55 -1.794 4.855 -5.190 410 HG12 ILE 55 HG12 ILE 55 0.729 3.142 -5.151 411 HG13 ILE 55 HG13 ILE 55 0.650 4.895 -4.957 412 HG21 ILE 55 HG21 ILE 55 -2.171 2.586 -4.278 413 HG22 ILE 55 HG22 ILE 55 -3.000 2.854 -5.790 414 HG23 ILE 55 HG23 ILE 55 -1.510 1.884 -5.760 415 HD11 ILE 55 HD11 ILE 55 0.850 4.078 -2.777 416 HD12 ILE 55 HD12 ILE 55 -0.854 4.534 -2.939 417 HD13 ILE 55 HD13 ILE 55 -0.367 2.819 -3.008 418 H GLY 56 H GLY 56 -2.896 5.948 -6.793 419 HA2 GLY 56 HA2 GLY 56 -4.910 6.441 -7.690 420 HA3 GLY 56 HA3 GLY 56 -4.274 5.861 -9.222 421 H GLN 57 H GLN 57 -4.345 3.243 -6.992 422 HA GLN 57 HA GLN 57 -6.537 1.979 -8.393 423 HB2 GLN 57 HB2 GLN 57 -4.920 0.991 -5.997 424 HB3 GLN 57 HB3 GLN 57 -5.899 0.031 -7.111 425 HG2 GLN 57 HG2 GLN 57 -4.318 1.023 -8.958 426 HG3 GLN 57 HG3 GLN 57 -3.231 1.383 -7.619 427 HE21 GLN 57 HE21 GLN 57 -1.812 -0.344 -6.882 428 HE22 GLN 57 HE22 GLN 57 -1.943 -1.909 -7.586 429 H THR 58 H THR 58 -8.311 0.887 -7.134 430 HA THR 58 HA THR 58 -9.032 2.203 -4.612 431 HB THR 58 HB THR 58 -11.108 2.152 -6.816 432 HG1 THR 58 HG1 THR 58 -9.625 3.674 -7.449 433 HG21 THR 58 HG21 THR 58 -11.936 2.200 -4.459 434 HG22 THR 58 HG22 THR 58 -12.308 3.703 -5.298 435 HG23 THR 58 HG23 THR 58 -10.960 3.653 -4.147 436 H PHE 59 H PHE 59 -9.864 0.713 -3.231 437 HA PHE 59 HA PHE 59 -11.211 -1.676 -4.323 438 HB2 PHE 59 HB2 PHE 59 -8.964 -1.802 -2.266 439 HB3 PHE 59 HB3 PHE 59 -9.920 -3.142 -2.855 440 HD1 PHE 59 HD1 PHE 59 -9.770 -3.683 -5.415 441 HD2 PHE 59 HD2 PHE 59 -6.934 -1.204 -3.309 442 HE1 PHE 59 HE1 PHE 59 -8.080 -4.064 -7.185 443 HE2 PHE 59 HE2 PHE 59 -5.220 -1.668 -5.045 444 HZ PHE 59 HZ PHE 59 -5.817 -3.057 -7.004 445 H PHE 60 H PHE 60 -12.293 -2.931 -2.444 446 HA PHE 60 HA PHE 60 -12.982 -1.210 -0.142 447 HB2 PHE 60 HB2 PHE 60 -14.997 -2.791 -1.788 448 HB3 PHE 60 HB3 PHE 60 -15.314 -1.896 -0.311 449 HD1 PHE 60 HD1 PHE 60 -14.504 -1.591 -3.907 450 HD2 PHE 60 HD2 PHE 60 -15.765 0.484 -0.347 451 HE1 PHE 60 HE1 PHE 60 -15.029 0.373 -5.253 452 HE2 PHE 60 HE2 PHE 60 -16.343 2.468 -1.701 453 HZ PHE 60 HZ PHE 60 -15.943 2.443 -4.183 454 H VAL 61 H VAL 61 -13.669 -2.438 1.796 455 HA VAL 61 HA VAL 61 -13.458 -5.358 1.620 456 HB VAL 61 HB VAL 61 -12.090 -5.436 3.598 457 HG11 VAL 61 HG11 VAL 61 -11.075 -5.719 1.410 458 HG12 VAL 61 HG12 VAL 61 -10.691 -3.985 1.345 459 HG13 VAL 61 HG13 VAL 61 -9.960 -5.031 2.594 460 HG21 VAL 61 HG21 VAL 61 -10.737 -3.481 4.294 461 HG22 VAL 61 HG22 VAL 61 -11.722 -2.447 3.231 462 HG23 VAL 61 HG23 VAL 61 -12.470 -3.307 4.608 463 H ASP 62 H ASP 62 -14.422 -6.364 3.617 464 HA ASP 62 HA ASP 62 -16.649 -4.770 4.701 465 HB2 ASP 62 HB2 ASP 62 -17.714 -6.789 5.060 466 HB3 ASP 62 HB3 ASP 62 -16.842 -7.132 3.560 467 H GLY 63 H GLY 63 -17.058 -6.039 7.149 468 HA2 GLY 63 HA2 GLY 63 -15.202 -4.653 8.834 469 HA3 GLY 63 HA3 GLY 63 -16.432 -5.836 9.326 470 H ASP 64 H ASP 64 -15.282 -7.882 7.423 471 HA ASP 64 HA ASP 64 -13.302 -9.022 9.253 472 HB2 ASP 64 HB2 ASP 64 -15.250 -10.249 8.138 473 HB3 ASP 64 HB3 ASP 64 -14.337 -10.157 6.626 474 H GLY 65 H GLY 65 -13.242 -6.953 6.636 475 HA2 GLY 65 HA2 GLY 65 -11.516 -5.915 5.603 476 HA3 GLY 65 HA3 GLY 65 -10.365 -6.978 6.413 477 H LYS 66 H LYS 66 -13.077 -8.369 4.567 478 HA LYS 66 HA LYS 66 -11.189 -9.694 2.752 479 HB2 LYS 66 HB2 LYS 66 -14.155 -9.982 3.351 480 HB3 LYS 66 HB3 LYS 66 -13.320 -10.943 2.139 481 HG2 LYS 66 HG2 LYS 66 -12.483 -10.857 5.072 482 HG3 LYS 66 HG3 LYS 66 -13.617 -12.027 4.402 483 HD2 LYS 66 HD2 LYS 66 -11.919 -12.973 2.943 484 HD3 LYS 66 HD3 LYS 66 -10.767 -11.708 3.363 485 HE2 LYS 66 HE2 LYS 66 -10.250 -13.794 4.525 486 HE3 LYS 66 HE3 LYS 66 -10.597 -12.483 5.659 487 HZ1 LYS 66 HZ1 LYS 66 -11.663 -14.658 6.184 488 HZ2 LYS 66 HZ2 LYS 66 -12.604 -14.493 4.858 489 HZ3 LYS 66 HZ3 LYS 66 -12.695 -13.391 6.110 490 H ARG 67 H ARG 67 -10.819 -9.071 0.757 491 HA ARG 67 HA ARG 67 -11.604 -6.700 -0.464 492 HB2 ARG 67 HB2 ARG 67 -10.041 -9.134 -1.047 493 HB3 ARG 67 HB3 ARG 67 -10.941 -8.669 -2.469 494 HG2 ARG 67 HG2 ARG 67 -9.198 -6.749 -0.914 495 HG3 ARG 67 HG3 ARG 67 -8.602 -7.738 -2.244 496 HD2 ARG 67 HD2 ARG 67 -10.704 -5.545 -2.355 497 HD3 ARG 67 HD3 ARG 67 -9.102 -5.528 -3.095 498 HE ARG 67 HE ARG 67 -11.535 -6.560 -4.174 499 HH11 ARG 67 HH11 ARG 67 -8.217 -7.880 -4.175 500 HH12 ARG 67 HH12 ARG 67 -8.099 -7.825 -5.904 501 HH21 ARG 67 HH21 ARG 67 -11.429 -6.859 -6.473 502 HH22 ARG 67 HH22 ARG 67 -10.076 -7.656 -7.158 503 H TRP 68 H TRP 68 -13.600 -6.123 -1.169 504 HA TRP 68 HA TRP 68 -15.701 -8.028 -1.420 505 HB2 TRP 68 HB2 TRP 68 -15.334 -5.129 -2.130 506 HB3 TRP 68 HB3 TRP 68 -16.693 -6.011 -2.798 507 HD1 TRP 68 HD1 TRP 68 -15.287 -5.513 0.807 508 HE1 TRP 68 HE1 TRP 68 -17.273 -5.272 2.398 509 HE3 TRP 68 HE3 TRP 68 -19.063 -6.427 -2.509 510 HZ2 TRP 68 HZ2 TRP 68 -20.141 -5.526 2.261 511 HZ3 TRP 68 HZ3 TRP 68 -21.410 -6.524 -1.738 512 HH2 TRP 68 HH2 TRP 68 -21.961 -6.097 0.616 513 H SER 69 H SER 69 -16.518 -9.137 -3.172 514 HA SER 69 HA SER 69 -14.790 -9.282 -5.573 515 HB2 SER 69 HB2 SER 69 -17.282 -10.808 -4.696 516 HB3 SER 69 HB3 SER 69 -16.347 -11.144 -6.171 517 HG SER 69 HG SER 69 -15.780 -12.420 -4.266 518 H GLU 70 H GLU 70 -15.424 -8.448 -7.599 519 HA GLU 70 HA GLU 70 -17.080 -6.222 -7.725 520 HB2 GLU 70 HB2 GLU 70 -16.239 -8.017 -10.009 521 HB3 GLU 70 HB3 GLU 70 -16.980 -6.434 -10.152 522 HG2 GLU 70 HG2 GLU 70 -14.663 -6.105 -10.420 523 HG3 GLU 70 HG3 GLU 70 -15.121 -5.402 -8.883 524 H GLU 71 H GLU 71 -18.011 -9.586 -8.074 525 HA GLU 71 HA GLU 71 -20.519 -9.216 -9.390 526 HB2 GLU 71 HB2 GLU 71 -19.803 -11.461 -7.446 527 HB3 GLU 71 HB3 GLU 71 -20.954 -11.479 -8.806 528 HG2 GLU 71 HG2 GLU 71 -18.904 -10.896 -10.286 529 HG3 GLU 71 HG3 GLU 71 -17.917 -11.377 -8.909 530 H GLU 72 H GLU 72 -19.514 -9.226 -5.994 531 HA GLU 72 HA GLU 72 -22.182 -8.857 -4.912 532 HB2 GLU 72 HB2 GLU 72 -19.434 -8.583 -3.622 533 HB3 GLU 72 HB3 GLU 72 -20.960 -8.726 -2.771 534 HG2 GLU 72 HG2 GLU 72 -19.723 -10.896 -4.541 535 HG3 GLU 72 HG3 GLU 72 -19.607 -10.819 -2.799 536 H LEU 73 H LEU 73 -19.607 -6.861 -6.142 537 HA LEU 73 HA LEU 73 -20.506 -4.432 -4.788 538 HB2 LEU 73 HB2 LEU 73 -18.683 -4.799 -7.201 539 HB3 LEU 73 HB3 LEU 73 -19.047 -3.252 -6.473 540 HG LEU 73 HG LEU 73 -17.620 -5.547 -5.058 541 HD11 LEU 73 HD11 LEU 73 -15.649 -4.112 -5.142 542 HD12 LEU 73 HD12 LEU 73 -16.559 -2.846 -5.995 543 HD13 LEU 73 HD13 LEU 73 -16.235 -4.395 -6.780 544 HD21 LEU 73 HD21 LEU 73 -17.182 -3.789 -3.312 545 HD22 LEU 73 HD22 LEU 73 -18.871 -4.294 -3.402 546 HD23 LEU 73 HD23 LEU 73 -18.366 -2.748 -4.129 547 H LYS 74 H LYS 74 -21.367 -6.118 -7.845 548 HA LYS 74 HA LYS 74 -22.981 -3.781 -8.635 549 HB2 LYS 74 HB2 LYS 74 -23.251 -4.988 -10.753 550 HB3 LYS 74 HB3 LYS 74 -21.549 -4.856 -10.310 551 HG2 LYS 74 HG2 LYS 74 -21.722 -7.187 -9.329 552 HG3 LYS 74 HG3 LYS 74 -23.353 -7.286 -9.991 553 HD2 LYS 74 HD2 LYS 74 -21.798 -8.470 -11.310 554 HD3 LYS 74 HD3 LYS 74 -22.426 -7.079 -12.235 555 HE2 LYS 74 HE2 LYS 74 -20.314 -5.852 -11.776 556 HE3 LYS 74 HE3 LYS 74 -19.740 -7.207 -10.796 557 HZ1 LYS 74 HZ1 LYS 74 -19.770 -8.594 -12.787 558 HZ2 LYS 74 HZ2 LYS 74 -18.795 -7.278 -12.981 559 HZ3 LYS 74 HZ3 LYS 74 -20.278 -7.340 -13.691 560 H GLU 75 H GLU 75 -23.385 -7.000 -7.173 561 HA GLU 75 HA GLU 75 -24.953 -8.190 -6.423 562 HB2 GLU 75 HB2 GLU 75 -26.520 -5.579 -6.369 563 HB3 GLU 75 HB3 GLU 75 -26.896 -7.068 -5.538 564 HG2 GLU 75 HG2 GLU 75 -24.764 -7.003 -4.317 565 HG3 GLU 75 HG3 GLU 75 -24.457 -5.410 -5.023 566 HA PRO 76 HA PRO 76 -27.479 -9.616 -9.732 567 HB2 PRO 76 HB2 PRO 76 -29.525 -11.038 -8.632 568 HB3 PRO 76 HB3 PRO 76 -27.808 -11.532 -8.479 569 HG2 PRO 76 HG2 PRO 76 -29.536 -10.101 -6.459 570 HG3 PRO 76 HG3 PRO 76 -28.372 -11.427 -6.197 571 HD2 PRO 76 HD2 PRO 76 -27.916 -8.733 -5.815 572 HD3 PRO 76 HD3 PRO 76 -26.600 -9.908 -6.071 573 H TYR 77 H TYR 77 -29.887 -9.649 -10.601 574 HA TYR 77 HA TYR 77 -30.741 -7.017 -10.981 575 HB2 TYR 77 HB2 TYR 77 -31.241 -8.812 -12.537 576 HB3 TYR 77 HB3 TYR 77 -32.148 -9.683 -11.295 577 HD1 TYR 77 HD1 TYR 77 -32.315 -6.071 -12.444 578 HD2 TYR 77 HD2 TYR 77 -34.361 -9.829 -11.897 579 HE1 TYR 77 HE1 TYR 77 -34.413 -5.010 -13.148 580 HE2 TYR 77 HE2 TYR 77 -36.492 -8.772 -12.637 581 HH TYR 77 HH TYR 77 -36.702 -5.290 -13.406 582 H ILE 78 H ILE 78 -32.158 -9.473 -8.744 583 HA ILE 78 HA ILE 78 -33.420 -7.264 -7.258 584 HB ILE 78 HB ILE 78 -35.423 -8.720 -6.889 585 HG12 ILE 78 HG12 ILE 78 -34.452 -10.338 -9.293 586 HG13 ILE 78 HG13 ILE 78 -34.320 -10.886 -7.621 587 HG21 ILE 78 HG21 ILE 78 -36.518 -8.072 -8.994 588 HG22 ILE 78 HG22 ILE 78 -35.407 -6.807 -8.457 589 HG23 ILE 78 HG23 ILE 78 -34.935 -7.882 -9.775 590 HD11 ILE 78 HD11 ILE 78 -36.791 -10.744 -7.370 591 HD12 ILE 78 HD12 ILE 78 -36.916 -10.322 -9.097 592 HD13 ILE 78 HD13 ILE 78 -36.264 -11.895 -8.613 593 H SER 79 H SER 79 -33.845 -7.812 -4.993 594 HA SER 79 HA SER 79 -32.638 -10.207 -3.881 595 HB2 SER 79 HB2 SER 79 -30.746 -8.596 -4.163 596 HB3 SER 79 HB3 SER 79 -31.661 -7.388 -3.239 597 HG SER 79 HG SER 79 -30.070 -8.636 -2.092 598 H ASN 80 H ASN 80 -33.181 -10.208 -1.521 599 HA ASN 80 HA ASN 80 -35.368 -8.412 -0.645 600 HB2 ASN 80 HB2 ASN 80 -35.677 -11.433 -0.985 601 HB3 ASN 80 HB3 ASN 80 -36.773 -10.459 -0.017 602 HD21 ASN 80 HD21 ASN 80 -37.549 -8.314 -1.373 603 HD22 ASN 80 HD22 ASN 80 -38.126 -8.776 -2.965 604 H ASN 81 H ASN 81 -32.454 -9.408 0.154 605 HA ASN 81 HA ASN 81 -33.144 -10.117 2.968 606 HB2 ASN 81 HB2 ASN 81 -30.904 -11.185 3.032 607 HB3 ASN 81 HB3 ASN 81 -32.162 -11.976 2.115 608 HD21 ASN 81 HD21 ASN 81 -29.584 -9.483 1.337 609 HD22 ASN 81 HD22 ASN 81 -29.078 -10.345 -0.100 610 HA PRO 82 HA PRO 82 -31.133 -5.959 3.268 611 HB2 PRO 82 HB2 PRO 82 -32.799 -4.877 5.152 612 HB3 PRO 82 HB3 PRO 82 -33.214 -4.964 3.413 613 HG2 PRO 82 HG2 PRO 82 -33.975 -6.924 5.616 614 HG3 PRO 82 HG3 PRO 82 -35.077 -6.089 4.466 615 HD2 PRO 82 HD2 PRO 82 -34.207 -8.582 3.970 616 HD3 PRO 82 HD3 PRO 82 -34.275 -7.379 2.631 617 H ASP 83 H ASP 83 -31.278 -8.646 5.253 618 HA ASP 83 HA ASP 83 -29.832 -7.430 7.569 619 HB2 ASP 83 HB2 ASP 83 -31.813 -8.813 8.004 620 HB3 ASP 83 HB3 ASP 83 -31.091 -10.174 7.119 621 H GLU 84 H GLU 84 -29.484 -9.395 4.800 622 HA GLU 84 HA GLU 84 -27.011 -10.754 5.589 623 HB2 GLU 84 HB2 GLU 84 -28.632 -10.545 3.048 624 HB3 GLU 84 HB3 GLU 84 -27.161 -11.506 3.131 625 HG2 GLU 84 HG2 GLU 84 -29.602 -11.963 4.914 626 HG3 GLU 84 HG3 GLU 84 -29.223 -12.865 3.447 627 H ILE 85 H ILE 85 -27.605 -7.626 4.674 628 HA ILE 85 HA ILE 85 -25.428 -7.268 2.756 629 HB ILE 85 HB ILE 85 -25.703 -4.873 3.143 630 HG12 ILE 85 HG12 ILE 85 -27.988 -5.483 5.064 631 HG13 ILE 85 HG13 ILE 85 -26.361 -5.137 5.630 632 HG21 ILE 85 HG21 ILE 85 -27.924 -4.659 2.154 633 HG22 ILE 85 HG22 ILE 85 -27.129 -6.093 1.507 634 HG23 ILE 85 HG23 ILE 85 -28.397 -6.266 2.738 635 HD11 ILE 85 HD11 ILE 85 -28.038 -3.251 3.969 636 HD12 ILE 85 HD12 ILE 85 -27.640 -3.129 5.692 637 HD13 ILE 85 HD13 ILE 85 -26.356 -2.965 4.479 638 H ARG 86 H ARG 86 -23.453 -5.977 3.293 639 HA ARG 86 HA ARG 86 -22.565 -6.275 6.115 640 HB2 ARG 86 HB2 ARG 86 -22.035 -8.160 4.276 641 HB3 ARG 86 HB3 ARG 86 -20.750 -7.044 3.821 642 HG2 ARG 86 HG2 ARG 86 -19.759 -7.253 6.039 643 HG3 ARG 86 HG3 ARG 86 -21.171 -8.164 6.632 644 HD2 ARG 86 HD2 ARG 86 -20.767 -9.969 5.045 645 HD3 ARG 86 HD3 ARG 86 -19.460 -9.063 4.275 646 HE ARG 86 HE ARG 86 -18.202 -9.197 6.365 647 HH11 ARG 86 HH11 ARG 86 -20.648 -11.812 5.869 648 HH12 ARG 86 HH12 ARG 86 -19.720 -12.944 6.767 649 HH21 ARG 86 HH21 ARG 86 -17.145 -10.582 7.518 650 HH22 ARG 86 HH22 ARG 86 -17.734 -12.184 7.949 651 H GLU 87 H GLU 87 -20.669 -4.869 6.566 652 HA GLU 87 HA GLU 87 -21.016 -2.309 5.305 653 HB2 GLU 87 HB2 GLU 87 -19.099 -1.549 6.642 654 HB3 GLU 87 HB3 GLU 87 -20.348 -2.320 7.594 655 HG2 GLU 87 HG2 GLU 87 -18.138 -4.109 6.671 656 HG3 GLU 87 HG3 GLU 87 -17.678 -2.842 7.791 657 H LYS 88 H LYS 88 -19.316 -1.008 4.241 658 HA LYS 88 HA LYS 88 -17.338 -2.608 2.725 659 HB2 LYS 88 HB2 LYS 88 -19.512 -2.630 1.567 660 HB3 LYS 88 HB3 LYS 88 -19.492 -0.852 1.494 661 HG2 LYS 88 HG2 LYS 88 -17.614 -0.886 -0.001 662 HG3 LYS 88 HG3 LYS 88 -17.272 -2.588 0.384 663 HD2 LYS 88 HD2 LYS 88 -18.192 -2.462 -1.767 664 HD3 LYS 88 HD3 LYS 88 -19.343 -3.299 -0.728 665 HE2 LYS 88 HE2 LYS 88 -19.549 -0.379 -1.597 666 HE3 LYS 88 HE3 LYS 88 -20.341 -1.731 -2.422 667 HZ1 LYS 88 HZ1 LYS 88 -20.905 -0.896 0.350 668 HZ2 LYS 88 HZ2 LYS 88 -21.615 -2.151 -0.413 669 HZ3 LYS 88 HZ3 LYS 88 -21.826 -0.629 -0.970 670 H LYS 89 H LYS 89 -15.636 -1.571 3.675 671 HA LYS 89 HA LYS 89 -15.467 1.288 4.030 672 HB2 LYS 89 HB2 LYS 89 -13.426 -0.948 4.384 673 HB3 LYS 89 HB3 LYS 89 -13.288 0.687 5.029 674 HG2 LYS 89 HG2 LYS 89 -15.077 0.300 6.605 675 HG3 LYS 89 HG3 LYS 89 -15.534 -1.228 5.832 676 HD2 LYS 89 HD2 LYS 89 -13.122 -2.008 6.330 677 HD3 LYS 89 HD3 LYS 89 -13.048 -0.665 7.464 678 HE2 LYS 89 HE2 LYS 89 -15.229 -2.786 7.380 679 HE3 LYS 89 HE3 LYS 89 -13.753 -2.984 8.314 680 HZ1 LYS 89 HZ1 LYS 89 -14.320 -1.049 9.618 681 HZ2 LYS 89 HZ2 LYS 89 -15.538 -2.145 9.701 682 HZ3 LYS 89 HZ3 LYS 89 -15.719 -0.798 8.773 683 HA PRO 90 HA PRO 90 -13.551 1.383 -0.136 684 HB2 PRO 90 HB2 PRO 90 -13.238 4.080 -0.394 685 HB3 PRO 90 HB3 PRO 90 -14.871 3.355 -0.428 686 HG2 PRO 90 HG2 PRO 90 -13.460 4.606 1.914 687 HG3 PRO 90 HG3 PRO 90 -15.130 4.933 1.335 688 HD2 PRO 90 HD2 PRO 90 -14.651 3.123 3.385 689 HD3 PRO 90 HD3 PRO 90 -15.937 2.881 2.171 690 H LEU 91 H LEU 91 -11.434 1.843 -0.942 691 HA LEU 91 HA LEU 91 -9.348 2.838 0.908 692 HB2 LEU 91 HB2 LEU 91 -9.143 0.311 -0.791 693 HB3 LEU 91 HB3 LEU 91 -7.895 0.971 0.245 694 HG LEU 91 HG LEU 91 -10.553 -0.155 1.261 695 HD11 LEU 91 HD11 LEU 91 -9.311 -1.913 0.161 696 HD12 LEU 91 HD12 LEU 91 -9.206 -2.134 1.910 697 HD13 LEU 91 HD13 LEU 91 -7.820 -1.465 1.022 698 HD21 LEU 91 HD21 LEU 91 -9.461 1.399 2.872 699 HD22 LEU 91 HD22 LEU 91 -7.955 0.458 2.756 700 HD23 LEU 91 HD23 LEU 91 -9.424 -0.268 3.443 701 H ARG 92 H ARG 92 -9.162 4.743 -0.317 702 HA ARG 92 HA ARG 92 -9.010 4.566 -3.310 703 HB2 ARG 92 HB2 ARG 92 -9.524 6.895 -1.413 704 HB3 ARG 92 HB3 ARG 92 -9.279 7.076 -3.146 705 HG2 ARG 92 HG2 ARG 92 -11.327 5.894 -3.665 706 HG3 ARG 92 HG3 ARG 92 -11.530 5.410 -1.967 707 HD2 ARG 92 HD2 ARG 92 -12.718 7.256 -1.616 708 HD3 ARG 92 HD3 ARG 92 -11.248 8.178 -1.812 709 HE ARG 92 HE ARG 92 -12.126 7.847 -4.398 710 HH11 ARG 92 HH11 ARG 92 -13.677 9.200 -1.436 711 HH12 ARG 92 HH12 ARG 92 -14.234 10.613 -2.274 712 HH21 ARG 92 HH21 ARG 92 -13.129 9.670 -5.485 713 HH22 ARG 92 HH22 ARG 92 -14.264 10.639 -4.595 714 H TYR 93 H TYR 93 -6.927 4.510 -4.054 715 HA TYR 93 HA TYR 93 -4.820 5.614 -2.306 716 HB2 TYR 93 HB2 TYR 93 -4.664 3.743 -4.653 717 HB3 TYR 93 HB3 TYR 93 -3.324 4.367 -3.675 718 HD1 TYR 93 HD2 TYR 93 -6.345 2.153 -3.534 719 HD2 TYR 93 HD1 TYR 93 -2.739 3.446 -1.522 720 HE1 TYR 93 HE2 TYR 93 -6.605 0.343 -1.858 721 HE2 TYR 93 HE1 TYR 93 -3.004 1.637 0.108 722 HH TYR 93 HH TYR 93 -4.135 -0.467 0.582 723 H GLY 94 H GLY 94 -3.181 7.050 -3.031 724 HA2 GLY 94 HA2 GLY 94 -3.822 8.986 -4.932 725 HA3 GLY 94 HA3 GLY 94 -3.055 8.922 -3.356 726 H LYS 95 H LYS 95 -1.870 10.299 -5.452 727 HA LYS 95 HA LYS 95 0.006 8.723 -6.936 728 HB2 LYS 95 HB2 LYS 95 -0.827 10.820 -7.732 729 HB3 LYS 95 HB3 LYS 95 -0.194 11.689 -6.328 730 HG2 LYS 95 HG2 LYS 95 2.051 11.507 -7.117 731 HG3 LYS 95 HG3 LYS 95 1.629 10.193 -8.215 732 HD2 LYS 95 HD2 LYS 95 2.030 12.132 -9.537 733 HD3 LYS 95 HD3 LYS 95 0.320 11.725 -9.617 734 HE2 LYS 95 HE2 LYS 95 -0.180 13.512 -7.958 735 HE3 LYS 95 HE3 LYS 95 1.541 13.920 -7.901 736 HZ1 LYS 95 HZ1 LYS 95 1.378 14.405 -10.321 737 HZ2 LYS 95 HZ2 LYS 95 0.481 15.394 -9.388 738 HZ3 LYS 95 HZ3 LYS 95 -0.251 14.194 -10.245 739 H VAL 96 H VAL 96 2.506 9.023 -6.566 740 HA VAL 96 HA VAL 96 3.097 9.053 -3.661 741 HB VAL 96 HB VAL 96 4.385 7.362 -5.836 742 HG11 VAL 96 HG11 VAL 96 5.392 6.111 -3.988 743 HG12 VAL 96 HG12 VAL 96 5.890 7.803 -3.920 744 HG13 VAL 96 HG13 VAL 96 4.640 7.220 -2.811 745 HG21 VAL 96 HG21 VAL 96 3.254 5.433 -4.737 746 HG22 VAL 96 HG22 VAL 96 2.348 6.563 -3.708 747 HG23 VAL 96 HG23 VAL 96 2.108 6.547 -5.472 748 H TYR 97 H TYR 97 4.997 10.028 -2.943 749 HA TYR 97 HA TYR 97 6.553 11.538 -4.936 750 HB2 TYR 97 HB2 TYR 97 5.886 12.478 -2.111 751 HB3 TYR 97 HB3 TYR 97 6.499 13.455 -3.395 752 HD1 TYR 97 HD2 TYR 97 3.467 11.835 -1.963 753 HD2 TYR 97 HD1 TYR 97 5.023 14.324 -5.122 754 HE1 TYR 97 HE2 TYR 97 1.166 12.302 -2.672 755 HE2 TYR 97 HE1 TYR 97 2.680 14.847 -5.842 756 HH TYR 97 HH TYR 97 0.339 14.615 -5.194 757 H SER 98 H SER 98 8.613 12.345 -3.695 758 HA SER 98 HA SER 98 9.801 10.141 -2.082 759 HB2 SER 98 HB2 SER 98 10.815 10.008 -4.162 760 HB3 SER 98 HB3 SER 98 10.795 11.758 -4.413 761 HG SER 98 HG SER 98 12.548 10.276 -2.701 762 H THR 99 H THR 99 11.472 10.916 -0.605 763 HA THR 99 HA THR 99 10.614 13.266 0.864 764 HB THR 99 HB THR 99 12.512 12.189 2.373 765 HG1 THR 99 HG1 THR 99 13.284 10.281 1.670 766 HG21 THR 99 HG21 THR 99 9.979 12.035 2.642 767 HG22 THR 99 HG22 THR 99 10.877 10.650 3.274 768 HG23 THR 99 HG23 THR 99 10.033 10.524 1.721 769 H ASN 100 H ASN 100 12.827 14.349 1.916 770 HA ASN 100 HA ASN 100 13.980 15.785 -0.371 771 HB2 ASN 100 HB2 ASN 100 13.117 16.945 1.636 772 HB3 ASN 100 HB3 ASN 100 14.314 16.135 2.634 773 HD21 ASN 100 HD21 ASN 100 14.629 18.661 3.000 774 HD22 ASN 100 HD22 ASN 100 15.779 19.435 1.919 775 H GLU 101 H GLU 101 15.077 13.865 -1.206 776 HA GLU 101 HA GLU 101 17.706 13.536 -0.137 777 HB2 GLU 101 HB2 GLU 101 17.569 11.026 -0.363 778 HB3 GLU 101 HB3 GLU 101 17.078 11.836 1.135 779 HG2 GLU 101 HG2 GLU 101 14.807 11.753 0.587 780 HG3 GLU 101 HG3 GLU 101 15.118 11.119 -1.032 781 H ASP 102 H ASP 102 18.505 14.270 -1.817 782 HA ASP 102 HA ASP 102 17.715 13.592 -4.627 783 HB2 ASP 102 HB2 ASP 102 19.893 15.500 -3.713 784 HB3 ASP 102 HB3 ASP 102 19.216 15.365 -5.337 785 H SER 103 H SER 103 18.722 11.369 -3.121 786 HA SER 103 HA SER 103 21.475 10.992 -4.127 787 HB2 SER 103 HB2 SER 103 21.762 9.522 -2.193 788 HB3 SER 103 HB3 SER 103 21.367 11.173 -1.721 789 HG SER 103 HG SER 103 20.231 9.688 -0.516 790 H ASP 104 H ASP 104 21.768 8.364 -3.842 791 HA ASP 104 HA ASP 104 20.054 7.275 -5.918 792 HB2 ASP 104 HB2 ASP 104 21.858 5.573 -6.119 793 HB3 ASP 104 HB3 ASP 104 22.494 7.203 -6.254 794 H ALA 105 H ALA 105 19.834 7.405 -2.683 795 HA ALA 105 HA ALA 105 19.421 4.680 -1.935 796 HB1 ALA 105 HB1 ALA 105 18.490 7.270 -0.636 797 HB2 ALA 105 HB2 ALA 105 18.465 5.658 0.119 798 HB3 ALA 105 HB3 ALA 105 20.007 6.410 -0.337 799 H LYS 106 H LYS 106 16.868 7.189 -1.933 800 HA LYS 106 HA LYS 106 14.673 7.138 -2.386 801 HB2 LYS 106 HB2 LYS 106 15.817 6.265 -4.651 802 HB3 LYS 106 HB3 LYS 106 14.900 4.812 -4.297 803 HG2 LYS 106 HG2 LYS 106 13.812 7.657 -4.591 804 HG3 LYS 106 HG3 LYS 106 13.788 6.426 -5.844 805 HD2 LYS 106 HD2 LYS 106 12.293 6.295 -3.201 806 HD3 LYS 106 HD3 LYS 106 11.588 6.735 -4.754 807 HE2 LYS 106 HE2 LYS 106 12.835 4.037 -4.084 808 HE3 LYS 106 HE3 LYS 106 11.105 4.382 -4.075 809 HZ1 LYS 106 HZ1 LYS 106 11.665 3.332 -6.106 810 HZ2 LYS 106 HZ2 LYS 106 12.905 4.303 -6.411 811 HZ3 LYS 106 HZ3 LYS 106 11.398 4.911 -6.515 812 H ASP 107 H ASP 107 15.472 6.039 -0.051 813 HA ASP 107 HA ASP 107 14.179 3.359 0.217 814 HB2 ASP 107 HB2 ASP 107 15.685 4.956 2.305 815 HB3 ASP 107 HB3 ASP 107 15.002 3.333 2.476 816 H GLU 108 H GLU 108 13.379 6.701 0.647 817 HA GLU 108 HA GLU 108 11.044 5.909 2.282 818 HB2 GLU 108 HB2 GLU 108 13.217 7.683 3.071 819 HB3 GLU 108 HB3 GLU 108 11.707 8.595 2.885 820 HG2 GLU 108 HG2 GLU 108 10.558 6.769 4.293 821 HG3 GLU 108 HG3 GLU 108 12.175 6.171 4.643 822 H ILE 109 H ILE 109 9.126 6.912 1.657 823 HA ILE 109 HA ILE 109 9.200 8.861 -0.515 824 HB ILE 109 HB ILE 109 7.742 7.362 -1.884 825 HG12 ILE 109 HG12 ILE 109 8.195 4.789 -1.031 826 HG13 ILE 109 HG13 ILE 109 7.992 5.571 0.514 827 HG21 ILE 109 HG21 ILE 109 10.362 5.929 -1.389 828 HG22 ILE 109 HG22 ILE 109 9.348 5.884 -2.829 829 HG23 ILE 109 HG23 ILE 109 10.171 7.399 -2.377 830 HD11 ILE 109 HD11 ILE 109 6.090 5.528 -1.838 831 HD12 ILE 109 HD12 ILE 109 5.821 4.999 -0.144 832 HD13 ILE 109 HD13 ILE 109 5.902 6.686 -0.507 833 H ILE 110 H ILE 110 6.668 9.282 -1.009 834 HA ILE 110 HA ILE 110 5.147 9.178 1.534 835 HB ILE 110 HB ILE 110 5.344 11.566 -0.316 836 HG12 ILE 110 HG12 ILE 110 6.766 10.933 2.279 837 HG13 ILE 110 HG13 ILE 110 7.545 11.176 0.726 838 HG21 ILE 110 HG21 ILE 110 4.136 12.727 1.444 839 HG22 ILE 110 HG22 ILE 110 3.235 11.276 1.008 840 HG23 ILE 110 HG23 ILE 110 4.208 11.290 2.489 841 HD11 ILE 110 HD11 ILE 110 7.020 13.438 0.634 842 HD12 ILE 110 HD12 ILE 110 6.183 13.386 2.218 843 HD13 ILE 110 HD13 ILE 110 7.918 13.043 2.126 844 H VAL 111 H VAL 111 3.433 7.955 1.152 845 HA VAL 111 HA VAL 111 2.270 7.657 -1.580 846 HB VAL 111 HB VAL 111 2.226 6.152 1.051 847 HG11 VAL 111 HG11 VAL 111 0.597 4.509 0.114 848 HG12 VAL 111 HG12 VAL 111 -0.130 6.043 0.477 849 HG13 VAL 111 HG13 VAL 111 0.240 5.664 -1.200 850 HG21 VAL 111 HG21 VAL 111 3.882 5.978 -0.999 851 HG22 VAL 111 HG22 VAL 111 3.420 4.566 -0.058 852 HG23 VAL 111 HG23 VAL 111 2.659 4.917 -1.648 853 H GLU 112 H GLU 112 0.293 8.587 -2.102 854 HA GLU 112 HA GLU 112 -1.110 10.003 0.052 855 HB2 GLU 112 HB2 GLU 112 -0.790 11.114 -2.091 856 HB3 GLU 112 HB3 GLU 112 -1.425 9.838 -2.883 857 HG2 GLU 112 HG2 GLU 112 -3.632 10.417 -1.380 858 HG3 GLU 112 HG3 GLU 112 -2.898 11.961 -1.269 859 H PHE 113 H PHE 113 -3.183 9.340 0.737 860 HA PHE 113 HA PHE 113 -4.651 7.169 -0.557 861 HB2 PHE 113 HB2 PHE 113 -3.016 6.034 0.935 862 HB3 PHE 113 HB3 PHE 113 -3.576 7.016 2.299 863 HD1 PHE 113 HD2 PHE 113 -4.824 4.671 -0.319 864 HD2 PHE 113 HD1 PHE 113 -5.140 6.009 3.748 865 HE1 PHE 113 HE2 PHE 113 -6.519 2.946 0.085 866 HE2 PHE 113 HE1 PHE 113 -6.904 4.299 4.149 867 HZ PHE 113 HZ PHE 113 -7.607 2.773 2.351 868 H ASN 114 H ASN 114 -6.899 7.370 0.134 869 HA ASN 114 HA ASN 114 -8.770 8.644 0.771 870 HB2 ASN 114 HB2 ASN 114 -7.037 8.321 3.244 871 HB3 ASN 114 HB3 ASN 114 -8.393 9.401 3.362 872 HD21 ASN 114 HD21 ASN 114 -8.151 6.129 1.696 873 HD22 ASN 114 HD22 ASN 114 -9.584 5.583 2.546 874 H ARG 115 H ARG 115 -6.655 10.186 -0.608 875 HA ARG 115 HA ARG 115 -6.229 12.283 -1.296 876 HB2 ARG 115 HB2 ARG 115 -8.492 13.364 0.375 877 HB3 ARG 115 HB3 ARG 115 -7.787 14.026 -1.085 878 HG2 ARG 115 HG2 ARG 115 -9.580 13.177 -2.118 879 HG3 ARG 115 HG3 ARG 115 -8.692 11.657 -2.094 880 HD2 ARG 115 HD2 ARG 115 -11.049 11.408 -1.414 881 HD3 ARG 115 HD3 ARG 115 -9.944 10.930 -0.114 882 HE ARG 115 HE ARG 115 -10.579 13.672 0.214 883 HH11 ARG 115 HH11 ARG 115 -12.258 10.544 0.572 884 HH12 ARG 115 HH12 ARG 115 -13.276 11.115 1.851 885 HH21 ARG 115 HH21 ARG 115 -11.838 14.358 1.885 886 HH22 ARG 115 HH22 ARG 115 -13.168 13.380 2.473 887 H GLU 116 H GLU 116 -4.917 11.246 1.199 888 HA GLU 116 HA GLU 116 -3.912 13.802 2.301 889 HB2 GLU 116 HB2 GLU 116 -4.773 11.237 3.706 890 HB3 GLU 116 HB3 GLU 116 -3.632 12.366 4.430 891 HG2 GLU 116 HG2 GLU 116 -5.288 14.123 4.492 892 HG3 GLU 116 HG3 GLU 116 -6.408 13.173 3.511 893 H TYR 117 H TYR 117 -1.599 13.641 2.674 894 HA TYR 117 HA TYR 117 -0.263 11.482 1.160 895 HB2 TYR 117 HB2 TYR 117 0.746 14.108 2.289 896 HB3 TYR 117 HB3 TYR 117 1.719 12.948 1.407 897 HD1 TYR 117 HD1 TYR 117 -1.422 12.944 -0.250 898 HD2 TYR 117 HD2 TYR 117 2.121 15.327 0.281 899 HE1 TYR 117 HE1 TYR 117 -2.048 14.250 -2.225 900 HE2 TYR 117 HE2 TYR 117 1.511 16.612 -1.787 901 HH TYR 117 HH TYR 117 -1.497 16.888 -2.813 902 H TYR 118 H TYR 118 0.957 9.909 2.172 903 HA TYR 118 HA TYR 118 1.448 10.186 5.118 904 HB2 TYR 118 HB2 TYR 118 0.654 7.695 3.594 905 HB3 TYR 118 HB3 TYR 118 1.142 7.746 5.274 906 HD1 TYR 118 HD1 TYR 118 -1.500 8.766 2.865 907 HD2 TYR 118 HD2 TYR 118 -0.367 8.516 7.028 908 HE1 TYR 118 HE1 TYR 118 -3.822 9.205 3.543 909 HE2 TYR 118 HE2 TYR 118 -2.709 8.917 7.702 910 HH TYR 118 HH TYR 118 -4.823 9.785 6.855 911 H ARG 119 H ARG 119 3.504 10.061 5.669 912 HA ARG 119 HA ARG 119 5.524 9.455 3.667 913 HB2 ARG 119 HB2 ARG 119 5.903 11.148 5.363 914 HB3 ARG 119 HB3 ARG 119 5.753 9.956 6.670 915 HG2 ARG 119 HG2 ARG 119 7.698 9.378 4.457 916 HG3 ARG 119 HG3 ARG 119 8.118 10.732 5.511 917 HD2 ARG 119 HD2 ARG 119 7.477 7.956 6.582 918 HD3 ARG 119 HD3 ARG 119 9.081 8.539 6.175 919 HE ARG 119 HE ARG 119 7.327 9.579 8.388 920 HH11 ARG 119 HH11 ARG 119 10.710 9.264 7.090 921 HH12 ARG 119 HH12 ARG 119 11.326 9.955 8.542 922 HH21 ARG 119 HH21 ARG 119 8.231 10.654 10.019 923 HH22 ARG 119 HH22 ARG 119 9.920 11.165 10.017 924 H ALA 120 H ALA 120 6.364 7.478 3.200 925 HA ALA 120 HA ALA 120 5.736 5.229 5.003 926 HB1 ALA 120 HB1 ALA 120 5.235 3.893 3.122 927 HB2 ALA 120 HB2 ALA 120 4.365 5.427 2.881 928 HB3 ALA 120 HB3 ALA 120 5.872 5.126 2.002 929 H VAL 121 H VAL 121 7.452 3.539 5.009 930 HA VAL 121 HA VAL 121 10.130 4.425 3.975 931 HB VAL 121 HB VAL 121 9.436 2.589 6.341 932 HG11 VAL 121 HG11 VAL 121 12.048 3.887 5.387 933 HG12 VAL 121 HG12 VAL 121 11.847 3.115 6.973 934 HG13 VAL 121 HG13 VAL 121 11.696 2.139 5.524 935 HG21 VAL 121 HG21 VAL 121 8.800 4.923 6.804 936 HG22 VAL 121 HG22 VAL 121 10.045 4.174 7.828 937 HG23 VAL 121 HG23 VAL 121 10.507 5.390 6.597 938 H LEU 122 H LEU 122 11.432 2.873 2.919 939 HA LEU 122 HA LEU 122 10.173 0.563 1.768 940 HB2 LEU 122 HB2 LEU 122 12.035 1.845 0.689 941 HB3 LEU 122 HB3 LEU 122 13.116 1.401 2.019 942 HG LEU 122 HG LEU 122 12.807 -0.997 1.453 943 HD11 LEU 122 HD11 LEU 122 11.852 -1.625 -0.749 944 HD12 LEU 122 HD12 LEU 122 11.262 0.032 -0.924 945 HD13 LEU 122 HD13 LEU 122 10.621 -1.019 0.366 946 HD21 LEU 122 HD21 LEU 122 14.647 0.462 0.432 947 HD22 LEU 122 HD22 LEU 122 13.602 0.643 -1.000 948 HD23 LEU 122 HD23 LEU 122 14.221 -0.945 -0.547 949 H ILE 123 H ILE 123 9.562 -1.098 3.043 950 HA ILE 123 HA ILE 123 10.493 -1.365 5.688 951 HB ILE 123 HB ILE 123 8.978 -3.217 3.712 952 HG12 ILE 123 HG12 ILE 123 7.942 -1.971 6.212 953 HG13 ILE 123 HG13 ILE 123 8.104 -0.968 4.783 954 HG21 ILE 123 HG21 ILE 123 8.222 -4.573 5.725 955 HG22 ILE 123 HG22 ILE 123 9.923 -4.797 5.325 956 HG23 ILE 123 HG23 ILE 123 9.470 -3.765 6.685 957 HD11 ILE 123 HD11 ILE 123 5.805 -1.964 5.083 958 HD12 ILE 123 HD12 ILE 123 6.612 -2.175 3.532 959 HD13 ILE 123 HD13 ILE 123 6.518 -3.542 4.681 960 H LYS 124 H LYS 124 11.246 -3.106 2.624 961 HA LYS 124 HA LYS 124 12.681 -5.276 3.581 962 HB2 LYS 124 HB2 LYS 124 12.315 -5.684 1.445 963 HB3 LYS 124 HB3 LYS 124 11.945 -4.012 1.080 964 HG2 LYS 124 HG2 LYS 124 14.192 -3.419 0.906 965 HG3 LYS 124 HG3 LYS 124 14.754 -5.069 1.286 966 HD2 LYS 124 HD2 LYS 124 14.998 -5.291 -0.923 967 HD3 LYS 124 HD3 LYS 124 13.255 -5.649 -0.903 968 HE2 LYS 124 HE2 LYS 124 12.716 -3.399 -1.531 969 HE3 LYS 124 HE3 LYS 124 14.337 -2.831 -1.105 970 HZ1 LYS 124 HZ1 LYS 124 15.252 -4.021 -2.994 971 HZ2 LYS 124 HZ2 LYS 124 14.158 -2.955 -3.478 972 HZ3 LYS 124 HZ3 LYS 124 13.750 -4.530 -3.452 973 H ASN 125 H ASN 125 13.655 -1.921 3.281 974 HA ASN 125 HA ASN 125 16.445 -2.229 3.312 975 HB2 ASN 125 HB2 ASN 125 14.971 -0.181 2.841 976 HB3 ASN 125 HB3 ASN 125 14.858 0.021 4.593 977 HD21 ASN 125 HD21 ASN 125 15.835 2.091 4.209 978 HD22 ASN 125 HD22 ASN 125 17.399 2.277 3.443 979 H GLU 126 H GLU 126 14.120 -2.608 5.919 980 HA GLU 126 HA GLU 126 16.335 -2.736 7.901 981 HB2 GLU 126 HB2 GLU 126 14.877 -1.926 9.601 982 HB3 GLU 126 HB3 GLU 126 14.867 -0.779 8.282 983 HG2 GLU 126 HG2 GLU 126 12.735 -1.887 7.485 984 HG3 GLU 126 HG3 GLU 126 12.759 -2.882 8.951 985 H LYS 127 H LYS 127 15.397 -4.042 9.879 986 HA LYS 127 HA LYS 127 14.481 -6.610 8.737 987 HB2 LYS 127 HB2 LYS 127 15.651 -7.610 10.723 988 HB3 LYS 127 HB3 LYS 127 16.726 -6.707 9.674 989 HG2 LYS 127 HG2 LYS 127 16.876 -4.871 11.207 990 HG3 LYS 127 HG3 LYS 127 15.501 -5.454 12.167 991 HD2 LYS 127 HD2 LYS 127 16.774 -7.380 12.940 992 HD3 LYS 127 HD3 LYS 127 18.097 -7.001 11.843 993 HE2 LYS 127 HE2 LYS 127 18.601 -6.414 14.189 994 HE3 LYS 127 HE3 LYS 127 18.712 -5.028 13.105 995 HZ1 LYS 127 HZ1 LYS 127 17.477 -4.839 15.343 996 HZ2 LYS 127 HZ2 LYS 127 16.212 -5.500 14.562 997 HZ3 LYS 127 HZ3 LYS 127 16.873 -4.080 14.008 998 H GLU 128 H GLU 128 12.714 -4.254 9.836 999 HA GLU 128 HA GLU 128 11.092 -5.937 11.610 1000 HB2 GLU 128 HB2 GLU 128 11.976 -3.066 11.914 1001 HB3 GLU 128 HB3 GLU 128 10.459 -3.651 12.658 1002 HG2 GLU 128 HG2 GLU 128 11.573 -5.260 13.985 1003 HG3 GLU 128 HG3 GLU 128 13.042 -5.202 13.024 Start of MODEL 16 1 H1 GLY 1 H GLY 1 34.587 -33.767 -11.287 2 HA2 GLY 1 HA2 GLY 1 36.825 -32.794 -11.595 3 HA3 GLY 1 HA3 GLY 1 36.130 -31.805 -12.906 4 H SER 2 H SER 2 37.399 -30.458 -10.740 5 HA SER 2 HA SER 2 35.639 -29.802 -8.635 6 HB2 SER 2 HB2 SER 2 37.947 -28.169 -9.767 7 HB3 SER 2 HB3 SER 2 37.343 -28.211 -8.099 8 HG SER 2 HG SER 2 39.182 -29.502 -8.280 9 H THR 3 H THR 3 33.564 -28.945 -9.198 10 HA THR 3 HA THR 3 33.264 -27.101 -11.394 11 HB THR 3 HB THR 3 30.885 -27.098 -10.264 12 HG1 THR 3 HG1 THR 3 30.837 -28.224 -8.519 13 HG21 THR 3 HG21 THR 3 31.437 -28.242 -12.391 14 HG22 THR 3 HG22 THR 3 30.343 -29.222 -11.399 15 HG23 THR 3 HG23 THR 3 32.069 -29.638 -11.484 16 H MET 4 H MET 4 34.156 -25.134 -11.114 17 HA MET 4 HA MET 4 33.535 -23.601 -8.655 18 HB2 MET 4 HB2 MET 4 35.851 -24.437 -8.475 19 HB3 MET 4 HB3 MET 4 36.253 -23.714 -10.040 20 HG2 MET 4 HG2 MET 4 35.782 -21.482 -9.181 21 HG3 MET 4 HG3 MET 4 35.198 -22.138 -7.651 22 HE1 MET 4 HE1 MET 4 36.637 -22.907 -5.688 23 HE2 MET 4 HE2 MET 4 37.255 -24.266 -6.657 24 HE3 MET 4 HE3 MET 4 38.383 -23.223 -5.768 25 H HIS 5 H HIS 5 31.934 -22.426 -9.609 26 HA HIS 5 HA HIS 5 32.620 -20.785 -11.963 27 HB2 HIS 5 HB2 HIS 5 29.943 -22.193 -11.631 28 HB3 HIS 5 HB3 HIS 5 30.545 -21.338 -13.050 29 HD1 HIS 5 HD1 HIS 5 33.075 -22.713 -13.911 30 HD2 HIS 5 HD2 HIS 5 30.114 -24.771 -11.751 31 HE1 HIS 5 HE1 HIS 5 33.507 -25.193 -14.288 32 H PHE 6 H PHE 6 30.635 -19.101 -12.188 33 HA PHE 6 HA PHE 6 29.633 -18.248 -9.564 34 HB2 PHE 6 HB2 PHE 6 31.277 -16.554 -11.483 35 HB3 PHE 6 HB3 PHE 6 30.283 -15.900 -10.189 36 HD1 PHE 6 HD2 PHE 6 30.743 -16.597 -7.766 37 HD2 PHE 6 HD1 PHE 6 33.520 -17.330 -10.989 38 HE1 PHE 6 HE2 PHE 6 32.570 -16.907 -6.126 39 HE2 PHE 6 HE1 PHE 6 35.345 -17.644 -9.338 40 HZ PHE 6 HZ PHE 6 34.875 -17.432 -6.904 41 H THR 7 H THR 7 27.819 -16.733 -9.834 42 HA THR 7 HA THR 7 26.614 -16.575 -12.514 43 HB THR 7 HB THR 7 24.422 -17.297 -11.159 44 HG1 THR 7 HG1 THR 7 25.071 -17.796 -9.215 45 HG21 THR 7 HG21 THR 7 26.445 -19.336 -12.172 46 HG22 THR 7 HG22 THR 7 25.269 -18.444 -13.153 47 HG23 THR 7 HG23 THR 7 24.706 -19.603 -11.931 48 H ASP 8 H ASP 8 24.532 -15.263 -12.333 49 HA ASP 8 HA ASP 8 25.205 -12.717 -11.094 50 HB2 ASP 8 HB2 ASP 8 24.220 -12.991 -13.393 51 HB3 ASP 8 HB3 ASP 8 22.734 -13.593 -12.643 52 H ASP 9 H ASP 9 23.071 -11.585 -10.031 53 HA ASP 9 HA ASP 9 21.995 -13.469 -7.992 54 HB2 ASP 9 HB2 ASP 9 23.705 -11.728 -7.210 55 HB3 ASP 9 HB3 ASP 9 22.471 -10.508 -7.567 56 H ASN 10 H ASN 10 19.849 -12.516 -7.036 57 HA ASN 10 HA ASN 10 18.193 -11.493 -9.332 58 HB2 ASN 10 HB2 ASN 10 17.479 -13.434 -7.109 59 HB3 ASN 10 HB3 ASN 10 16.334 -12.782 -8.283 60 HD21 ASN 10 HD21 ASN 10 17.549 -15.618 -7.672 61 HD22 ASN 10 HD22 ASN 10 17.890 -16.164 -9.295 62 H GLU 11 H GLU 11 16.189 -10.434 -8.643 63 HA GLU 11 HA GLU 11 16.682 -8.294 -6.789 64 HB2 GLU 11 HB2 GLU 11 14.188 -9.224 -8.300 65 HB3 GLU 11 HB3 GLU 11 14.288 -7.753 -7.339 66 HG2 GLU 11 HG2 GLU 11 14.563 -7.220 -9.705 67 HG3 GLU 11 HG3 GLU 11 16.031 -6.844 -8.792 68 H ASN 12 H ASN 12 15.898 -8.086 -4.677 69 HA ASN 12 HA ASN 12 14.545 -10.462 -3.466 70 HB2 ASN 12 HB2 ASN 12 16.487 -8.493 -2.215 71 HB3 ASN 12 HB3 ASN 12 15.697 -9.827 -1.382 72 HD21 ASN 12 HD21 ASN 12 16.075 -12.057 -2.981 73 HD22 ASN 12 HD22 ASN 12 17.786 -12.302 -3.230 74 H ASP 13 H ASP 13 12.827 -9.023 -4.604 75 HA ASP 13 HA ASP 13 11.919 -6.671 -3.115 76 HB2 ASP 13 HB2 ASP 13 10.041 -6.692 -4.727 77 HB3 ASP 13 HB3 ASP 13 11.628 -6.571 -5.470 78 H THR 14 H THR 14 9.314 -6.773 -2.755 79 HA THR 14 HA THR 14 9.030 -8.601 -0.505 80 HB THR 14 HB THR 14 8.011 -6.407 -0.364 81 HG1 THR 14 HG1 THR 14 6.215 -8.585 -0.526 82 HG21 THR 14 HG21 THR 14 7.447 -5.897 -2.719 83 HG22 THR 14 HG22 THR 14 6.030 -5.754 -1.668 84 HG23 THR 14 HG23 THR 14 6.201 -7.159 -2.707 85 H SER 15 H SER 15 7.960 -8.501 -3.778 86 HA SER 15 HA SER 15 6.957 -9.949 -5.183 87 HB2 SER 15 HB2 SER 15 8.855 -11.386 -3.965 88 HB3 SER 15 HB3 SER 15 7.490 -12.298 -3.339 89 HG SER 15 HG SER 15 8.183 -11.788 -6.066 90 H GLU 16 H GLU 16 5.153 -8.536 -4.087 91 HA GLU 16 HA GLU 16 2.861 -10.185 -3.851 92 HB2 GLU 16 HB2 GLU 16 2.151 -9.891 -1.712 93 HB3 GLU 16 HB3 GLU 16 3.889 -9.983 -1.444 94 HG2 GLU 16 HG2 GLU 16 4.058 -7.588 -1.228 95 HG3 GLU 16 HG3 GLU 16 2.291 -7.461 -1.346 96 H THR 17 H THR 17 0.890 -8.587 -3.699 97 HA THR 17 HA THR 17 1.593 -6.042 -5.081 98 HB THR 17 HB THR 17 0.806 -7.815 -6.605 99 HG1 THR 17 HG1 THR 17 -0.646 -6.687 -7.643 100 HG21 THR 17 HG21 THR 17 -1.642 -8.485 -6.440 101 HG22 THR 17 HG22 THR 17 -1.643 -7.838 -4.795 102 HG23 THR 17 HG23 THR 17 -0.567 -9.186 -5.246 103 H MET 18 H MET 18 -0.343 -4.492 -4.992 104 HA MET 18 HA MET 18 -0.815 -3.739 -2.379 105 HB2 MET 18 HB2 MET 18 -2.182 -3.175 -5.037 106 HB3 MET 18 HB3 MET 18 -2.850 -2.478 -3.569 107 HG2 MET 18 HG2 MET 18 0.070 -2.117 -3.806 108 HG3 MET 18 HG3 MET 18 -0.830 -1.362 -5.104 109 HE1 MET 18 HE1 MET 18 -2.497 -1.726 -1.452 110 HE2 MET 18 HE2 MET 18 -0.736 -1.807 -1.224 111 HE3 MET 18 HE3 MET 18 -1.651 -0.399 -0.643 112 H GLU 19 H GLU 19 -2.910 -5.732 -4.517 113 HA GLU 19 HA GLU 19 -5.155 -5.789 -2.748 114 HB2 GLU 19 HB2 GLU 19 -4.235 -7.712 -4.916 115 HB3 GLU 19 HB3 GLU 19 -5.781 -7.829 -4.053 116 HG2 GLU 19 HG2 GLU 19 -6.473 -5.636 -4.867 117 HG3 GLU 19 HG3 GLU 19 -4.906 -5.403 -5.675 118 H SER 20 H SER 20 -2.209 -7.835 -2.915 119 HA SER 20 HA SER 20 -3.143 -9.911 -1.193 120 HB2 SER 20 HB2 SER 20 -0.303 -8.883 -1.641 121 HB3 SER 20 HB3 SER 20 -0.764 -10.470 -1.031 122 HG SER 20 HG SER 20 -2.127 -10.158 -3.255 123 H LEU 21 H LEU 21 -1.755 -6.718 -0.642 124 HA LEU 21 HA LEU 21 -1.204 -7.060 2.153 125 HB2 LEU 21 HB2 LEU 21 -2.016 -4.485 0.696 126 HB3 LEU 21 HB3 LEU 21 -1.280 -4.601 2.269 127 HG LEU 21 HG LEU 21 -0.075 -4.990 -0.456 128 HD11 LEU 21 HD11 LEU 21 0.749 -3.460 2.057 129 HD12 LEU 21 HD12 LEU 21 -0.164 -2.814 0.685 130 HD13 LEU 21 HD13 LEU 21 1.524 -3.349 0.469 131 HD21 LEU 21 HD21 LEU 21 2.018 -5.794 0.599 132 HD22 LEU 21 HD22 LEU 21 0.707 -6.965 0.691 133 HD23 LEU 21 HD23 LEU 21 1.143 -6.016 2.133 134 H ILE 22 H ILE 22 -3.964 -5.595 0.386 135 HA ILE 22 HA ILE 22 -5.563 -5.150 2.647 136 HB ILE 22 HB ILE 22 -6.536 -5.783 -0.176 137 HG12 ILE 22 HG12 ILE 22 -6.046 -3.007 0.997 138 HG13 ILE 22 HG13 ILE 22 -4.841 -3.824 0.008 139 HG21 ILE 22 HG21 ILE 22 -8.503 -4.375 0.629 140 HG22 ILE 22 HG22 ILE 22 -8.289 -5.892 1.505 141 HG23 ILE 22 HG23 ILE 22 -7.738 -4.384 2.249 142 HD11 ILE 22 HD11 ILE 22 -6.086 -2.318 -1.379 143 HD12 ILE 22 HD12 ILE 22 -6.437 -3.984 -1.873 144 HD13 ILE 22 HD13 ILE 22 -7.625 -3.062 -0.929 145 H ASP 23 H ASP 23 -5.354 -8.006 0.535 146 HA ASP 23 HA ASP 23 -7.371 -9.597 1.603 147 HB2 ASP 23 HB2 ASP 23 -5.941 -10.125 -0.414 148 HB3 ASP 23 HB3 ASP 23 -4.753 -10.804 0.711 149 H LYS 24 H LYS 24 -4.278 -8.872 3.076 150 HA LYS 24 HA LYS 24 -4.875 -10.854 5.248 151 HB2 LYS 24 HB2 LYS 24 -2.650 -11.161 5.458 152 HB3 LYS 24 HB3 LYS 24 -2.538 -10.432 3.882 153 HG2 LYS 24 HG2 LYS 24 -0.943 -9.241 4.954 154 HG3 LYS 24 HG3 LYS 24 -2.273 -8.159 5.217 155 HD2 LYS 24 HD2 LYS 24 -2.183 -10.097 7.404 156 HD3 LYS 24 HD3 LYS 24 -0.568 -9.442 7.138 157 HE2 LYS 24 HE2 LYS 24 -1.425 -7.147 7.518 158 HE3 LYS 24 HE3 LYS 24 -3.065 -7.761 7.658 159 HZ1 LYS 24 HZ1 LYS 24 -2.109 -7.343 9.761 160 HZ2 LYS 24 HZ2 LYS 24 -0.845 -8.344 9.490 161 HZ3 LYS 24 HZ3 LYS 24 -2.394 -8.945 9.651 162 H GLY 25 H GLY 25 -5.000 -7.484 4.548 163 HA2 GLY 25 HA2 GLY 25 -6.083 -5.901 5.950 164 HA3 GLY 25 HA3 GLY 25 -5.640 -6.847 7.377 165 H LYS 26 H LYS 26 -3.411 -5.907 4.713 166 HA LYS 26 HA LYS 26 -1.643 -4.596 6.756 167 HB2 LYS 26 HB2 LYS 26 -1.179 -5.885 4.082 168 HB3 LYS 26 HB3 LYS 26 -0.178 -4.492 4.476 169 HG2 LYS 26 HG2 LYS 26 0.404 -5.591 6.624 170 HG3 LYS 26 HG3 LYS 26 -0.330 -7.060 5.981 171 HD2 LYS 26 HD2 LYS 26 1.800 -5.656 4.381 172 HD3 LYS 26 HD3 LYS 26 2.279 -6.601 5.775 173 HE2 LYS 26 HE2 LYS 26 0.450 -7.858 3.707 174 HE3 LYS 26 HE3 LYS 26 2.164 -7.677 3.339 175 HZ1 LYS 26 HZ1 LYS 26 1.120 -9.141 5.680 176 HZ2 LYS 26 HZ2 LYS 26 2.722 -8.945 5.268 177 HZ3 LYS 26 HZ3 LYS 26 1.725 -9.770 4.296 178 H LEU 27 H LEU 27 -3.560 -2.927 6.772 179 HA LEU 27 HA LEU 27 -3.513 -1.059 4.500 180 HB2 LEU 27 HB2 LEU 27 -4.908 -0.589 7.141 181 HB3 LEU 27 HB3 LEU 27 -5.168 0.201 5.608 182 HG LEU 27 HG LEU 27 -7.009 -1.093 5.735 183 HD11 LEU 27 HD11 LEU 27 -5.772 -1.659 3.606 184 HD12 LEU 27 HD12 LEU 27 -6.994 -2.825 4.116 185 HD13 LEU 27 HD13 LEU 27 -5.277 -3.176 4.371 186 HD21 LEU 27 HD21 LEU 27 -6.689 -2.301 7.717 187 HD22 LEU 27 HD22 LEU 27 -5.336 -3.225 7.062 188 HD23 LEU 27 HD23 LEU 27 -6.982 -3.535 6.487 189 H ASP 28 H ASP 28 -1.348 -1.557 6.956 190 HA ASP 28 HA ASP 28 -0.815 1.328 7.536 191 HB2 ASP 28 HB2 ASP 28 -0.817 -0.769 9.239 192 HB3 ASP 28 HB3 ASP 28 0.867 -0.851 8.711 193 H GLN 29 H GLN 29 -0.196 -0.674 5.040 194 HA GLN 29 HA GLN 29 2.254 0.717 4.263 195 HB2 GLN 29 HB2 GLN 29 3.261 -1.554 3.609 196 HB3 GLN 29 HB3 GLN 29 3.269 -1.137 5.308 197 HG2 GLN 29 HG2 GLN 29 0.825 -2.548 4.794 198 HG3 GLN 29 HG3 GLN 29 2.109 -3.426 4.005 199 HE21 GLN 29 HE21 GLN 29 4.189 -3.348 5.618 200 HE22 GLN 29 HE22 GLN 29 3.781 -3.560 7.314 201 H VAL 30 H VAL 30 2.793 0.091 1.970 202 HA VAL 30 HA VAL 30 0.517 -0.896 0.352 203 HB VAL 30 HB VAL 30 0.504 1.004 -1.117 204 HG11 VAL 30 HG11 VAL 30 -0.617 2.633 0.206 205 HG12 VAL 30 HG12 VAL 30 -0.952 1.074 0.954 206 HG13 VAL 30 HG13 VAL 30 0.232 2.142 1.694 207 HG21 VAL 30 HG21 VAL 30 2.848 1.738 -0.913 208 HG22 VAL 30 HG22 VAL 30 1.714 3.050 -0.660 209 HG23 VAL 30 HG23 VAL 30 2.520 2.296 0.748 210 H VAL 31 H VAL 31 1.252 -1.191 -2.087 211 HA VAL 31 HA VAL 31 4.095 -1.637 -2.183 212 HB VAL 31 HB VAL 31 2.313 -3.140 -4.041 213 HG11 VAL 31 HG11 VAL 31 3.916 -4.819 -4.032 214 HG12 VAL 31 HG12 VAL 31 4.675 -3.252 -4.354 215 HG13 VAL 31 HG13 VAL 31 4.834 -4.022 -2.743 216 HG21 VAL 31 HG21 VAL 31 2.988 -4.102 -1.227 217 HG22 VAL 31 HG22 VAL 31 1.336 -3.832 -1.843 218 HG23 VAL 31 HG23 VAL 31 2.344 -5.159 -2.469 219 H TYR 32 H TYR 32 5.058 -0.929 -4.137 220 HA TYR 32 HA TYR 32 3.525 0.124 -6.358 221 HB2 TYR 32 HB2 TYR 32 3.277 2.187 -5.212 222 HB3 TYR 32 HB3 TYR 32 4.773 1.953 -4.354 223 HD1 TYR 32 HD1 TYR 32 4.105 1.955 -8.083 224 HD2 TYR 32 HD2 TYR 32 6.103 3.892 -4.786 225 HE1 TYR 32 HE1 TYR 32 5.457 3.257 -9.663 226 HE2 TYR 32 HE2 TYR 32 7.496 5.148 -6.348 227 HH TYR 32 HH TYR 32 7.460 4.459 -9.860 228 H ASP 33 H ASP 33 4.748 -0.357 -8.036 229 HA ASP 33 HA ASP 33 6.456 -1.061 -9.323 230 HB2 ASP 33 HB2 ASP 33 7.057 1.323 -8.763 231 HB3 ASP 33 HB3 ASP 33 8.241 0.713 -7.619 232 H ASP 34 H ASP 34 5.906 -2.738 -7.029 233 HA ASP 34 HA ASP 34 6.603 -4.743 -6.207 234 HB2 ASP 34 HB2 ASP 34 8.157 -4.608 -8.446 235 HB3 ASP 34 HB3 ASP 34 9.418 -4.632 -7.197 236 H GLN 35 H GLN 35 6.971 -2.134 -4.869 237 HA GLN 35 HA GLN 35 9.181 -2.885 -3.006 238 HB2 GLN 35 HB2 GLN 35 8.279 -0.078 -3.620 239 HB3 GLN 35 HB3 GLN 35 9.639 -0.581 -2.627 240 HG2 GLN 35 HG2 GLN 35 9.401 -0.630 -5.642 241 HG3 GLN 35 HG3 GLN 35 10.519 0.189 -4.612 242 HE21 GLN 35 HE21 GLN 35 11.703 -1.469 -3.079 243 HE22 GLN 35 HE22 GLN 35 12.286 -2.963 -3.906 244 H LEU 36 H LEU 36 8.775 -2.386 -0.963 245 HA LEU 36 HA LEU 36 5.852 -2.115 -0.247 246 HB2 LEU 36 HB2 LEU 36 6.931 -4.414 -0.065 247 HB3 LEU 36 HB3 LEU 36 7.926 -3.778 1.225 248 HG LEU 36 HG LEU 36 5.785 -3.298 2.476 249 HD11 LEU 36 HD11 LEU 36 3.727 -4.452 1.802 250 HD12 LEU 36 HD12 LEU 36 4.491 -4.947 0.285 251 HD13 LEU 36 HD13 LEU 36 4.164 -3.225 0.606 252 HD21 LEU 36 HD21 LEU 36 6.319 -6.113 1.508 253 HD22 LEU 36 HD22 LEU 36 5.423 -5.718 2.987 254 HD23 LEU 36 HD23 LEU 36 7.156 -5.322 2.846 255 H TYR 37 H TYR 37 5.454 -0.286 0.877 256 HA TYR 37 HA TYR 37 7.665 0.698 2.575 257 HB2 TYR 37 HB2 TYR 37 5.550 2.567 1.621 258 HB3 TYR 37 HB3 TYR 37 7.208 2.898 2.092 259 HD1 TYR 37 HD1 TYR 37 9.044 1.768 0.462 260 HD2 TYR 37 HD2 TYR 37 5.009 2.848 -0.567 261 HE1 TYR 37 HE1 TYR 37 9.694 1.875 -1.949 262 HE2 TYR 37 HE2 TYR 37 5.640 3.025 -2.898 263 HH TYR 37 HH TYR 37 7.604 1.773 -4.477 264 H HIS 38 H HIS 38 7.225 1.157 4.720 265 HA HIS 38 HA HIS 38 4.540 0.481 5.760 266 HB2 HIS 38 HB2 HIS 38 7.228 0.095 6.672 267 HB3 HIS 38 HB3 HIS 38 6.502 1.216 7.780 268 HD1 HIS 38 HD1 HIS 38 7.350 -1.713 8.700 269 HD2 HIS 38 HD2 HIS 38 3.476 -0.504 7.448 270 HE1 HIS 38 HE1 HIS 38 5.707 -3.392 9.654 271 H LEU 39 H LEU 39 3.205 2.083 6.220 272 HA LEU 39 HA LEU 39 3.941 4.855 5.816 273 HB2 LEU 39 HB2 LEU 39 1.517 3.657 7.223 274 HB3 LEU 39 HB3 LEU 39 1.642 5.283 6.577 275 HG LEU 39 HG LEU 39 1.578 2.677 5.003 276 HD11 LEU 39 HD11 LEU 39 -0.483 3.522 4.137 277 HD12 LEU 39 HD12 LEU 39 -0.277 5.072 5.006 278 HD13 LEU 39 HD13 LEU 39 -0.553 3.555 5.906 279 HD21 LEU 39 HD21 LEU 39 3.066 4.005 3.738 280 HD22 LEU 39 HD22 LEU 39 2.086 5.481 3.951 281 HD23 LEU 39 HD23 LEU 39 1.500 4.132 2.948 282 H LYS 40 H LYS 40 4.176 6.449 7.441 283 HA LYS 40 HA LYS 40 4.697 5.444 10.220 284 HB2 LYS 40 HB2 LYS 40 6.158 7.635 8.719 285 HB3 LYS 40 HB3 LYS 40 6.518 7.070 10.355 286 HG2 LYS 40 HG2 LYS 40 6.796 5.563 7.749 287 HG3 LYS 40 HG3 LYS 40 8.113 6.281 8.648 288 HD2 LYS 40 HD2 LYS 40 6.415 4.120 9.965 289 HD3 LYS 40 HD3 LYS 40 7.613 3.687 8.779 290 HE2 LYS 40 HE2 LYS 40 8.540 3.471 11.012 291 HE3 LYS 40 HE3 LYS 40 9.412 4.694 10.091 292 HZ1 LYS 40 HZ1 LYS 40 8.289 6.405 11.294 293 HZ2 LYS 40 HZ2 LYS 40 8.927 5.388 12.382 294 HZ3 LYS 40 HZ3 LYS 40 7.320 5.304 12.099 295 H GLU 41 H GLU 41 4.261 8.535 8.461 296 HA GLU 41 HA GLU 41 2.012 9.164 10.264 297 HB2 GLU 41 HB2 GLU 41 2.851 11.191 11.157 298 HB3 GLU 41 HB3 GLU 41 4.033 9.944 11.475 299 HG2 GLU 41 HG2 GLU 41 5.150 10.890 9.221 300 HG3 GLU 41 HG3 GLU 41 4.168 12.299 9.579 301 H LYS 42 H LYS 42 0.976 11.181 9.740 302 HA LYS 42 HA LYS 42 0.485 11.396 6.858 303 HB2 LYS 42 HB2 LYS 42 -1.221 11.367 8.848 304 HB3 LYS 42 HB3 LYS 42 -0.843 13.079 9.014 305 HG2 LYS 42 HG2 LYS 42 -1.695 11.857 6.357 306 HG3 LYS 42 HG3 LYS 42 -2.886 12.219 7.574 307 HD2 LYS 42 HD2 LYS 42 -1.105 14.520 7.030 308 HD3 LYS 42 HD3 LYS 42 -1.984 13.941 5.603 309 HE2 LYS 42 HE2 LYS 42 -4.113 14.001 6.995 310 HE3 LYS 42 HE3 LYS 42 -3.187 14.815 8.265 311 HZ1 LYS 42 HZ1 LYS 42 -4.345 16.399 6.824 312 HZ2 LYS 42 HZ2 LYS 42 -3.618 15.789 5.503 313 HZ3 LYS 42 HZ3 LYS 42 -2.718 16.575 6.621 314 H VAL 43 H VAL 43 0.984 13.287 5.586 315 HA VAL 43 HA VAL 43 2.529 15.444 6.967 316 HB VAL 43 HB VAL 43 4.173 15.339 5.197 317 HG11 VAL 43 HG11 VAL 43 4.495 14.022 7.281 318 HG12 VAL 43 HG12 VAL 43 3.871 12.582 6.444 319 HG13 VAL 43 HG13 VAL 43 5.344 13.378 5.869 320 HG21 VAL 43 HG21 VAL 43 2.774 12.846 4.166 321 HG22 VAL 43 HG22 VAL 43 2.882 14.423 3.334 322 HG23 VAL 43 HG23 VAL 43 4.346 13.490 3.648 323 H ASP 44 H ASP 44 3.063 17.161 5.185 324 HA ASP 44 HA ASP 44 0.451 18.089 4.141 325 HB2 ASP 44 HB2 ASP 44 2.070 19.473 5.729 326 HB3 ASP 44 HB3 ASP 44 2.976 19.739 4.213 327 H GLU 45 H GLU 45 0.628 19.381 2.072 328 HA GLU 45 HA GLU 45 1.809 17.738 0.008 329 HB2 GLU 45 HB2 GLU 45 0.567 18.719 -1.484 330 HB3 GLU 45 HB3 GLU 45 -0.411 18.934 -0.053 331 HG2 GLU 45 HG2 GLU 45 -0.538 21.026 -0.521 332 HG3 GLU 45 HG3 GLU 45 1.099 21.260 0.043 333 H ASP 46 H ASP 46 2.974 20.227 1.988 334 HA ASP 46 HA ASP 46 4.911 21.381 0.077 335 HB2 ASP 46 HB2 ASP 46 4.043 22.788 1.821 336 HB3 ASP 46 HB3 ASP 46 4.293 21.561 3.053 337 H LYS 47 H LYS 47 4.616 18.475 1.939 338 HA LYS 47 HA LYS 47 7.492 18.328 2.575 339 HB2 LYS 47 HB2 LYS 47 5.416 16.171 3.056 340 HB3 LYS 47 HB3 LYS 47 6.980 16.398 3.843 341 HG2 LYS 47 HG2 LYS 47 4.466 18.062 4.132 342 HG3 LYS 47 HG3 LYS 47 5.296 17.180 5.407 343 HD2 LYS 47 HD2 LYS 47 7.263 18.777 4.998 344 HD3 LYS 47 HD3 LYS 47 6.107 19.716 4.014 345 HE2 LYS 47 HE2 LYS 47 4.653 20.034 5.934 346 HE3 LYS 47 HE3 LYS 47 5.864 19.221 6.960 347 HZ1 LYS 47 HZ1 LYS 47 6.137 21.673 6.865 348 HZ2 LYS 47 HZ2 LYS 47 6.414 21.572 5.241 349 HZ3 LYS 47 HZ3 LYS 47 7.469 20.877 6.263 350 H LYS 48 H LYS 48 5.380 17.266 0.127 351 HA LYS 48 HA LYS 48 6.969 15.051 -0.824 352 HB2 LYS 48 HB2 LYS 48 5.851 15.605 -3.066 353 HB3 LYS 48 HB3 LYS 48 4.804 15.167 -1.675 354 HG2 LYS 48 HG2 LYS 48 3.898 17.132 -1.460 355 HG3 LYS 48 HG3 LYS 48 5.283 18.045 -2.104 356 HD2 LYS 48 HD2 LYS 48 4.502 18.095 -4.185 357 HD3 LYS 48 HD3 LYS 48 3.861 16.443 -4.138 358 HE2 LYS 48 HE2 LYS 48 1.882 17.135 -2.988 359 HE3 LYS 48 HE3 LYS 48 2.546 18.747 -2.676 360 HZ1 LYS 48 HZ1 LYS 48 2.387 19.284 -4.952 361 HZ2 LYS 48 HZ2 LYS 48 0.961 18.767 -4.401 362 HZ3 LYS 48 HZ3 LYS 48 1.837 17.759 -5.355 363 H GLY 49 H GLY 49 8.881 15.032 -1.650 364 HA2 GLY 49 HA2 GLY 49 10.448 17.463 -2.051 365 HA3 GLY 49 HA3 GLY 49 10.975 15.795 -2.318 366 H LYS 50 H LYS 50 8.835 15.021 -4.028 367 HA LYS 50 HA LYS 50 8.228 16.557 -6.277 368 HB2 LYS 50 HB2 LYS 50 9.799 15.483 -7.869 369 HB3 LYS 50 HB3 LYS 50 10.586 16.646 -6.814 370 HG2 LYS 50 HG2 LYS 50 11.732 15.054 -5.581 371 HG3 LYS 50 HG3 LYS 50 10.658 13.727 -6.035 372 HD2 LYS 50 HD2 LYS 50 12.537 15.101 -8.000 373 HD3 LYS 50 HD3 LYS 50 12.863 13.579 -7.139 374 HE2 LYS 50 HE2 LYS 50 10.676 12.688 -8.093 375 HE3 LYS 50 HE3 LYS 50 10.582 14.124 -9.108 376 HZ1 LYS 50 HZ1 LYS 50 12.779 12.163 -9.159 377 HZ2 LYS 50 HZ2 LYS 50 12.673 13.450 -10.135 378 HZ3 LYS 50 HZ3 LYS 50 11.543 12.240 -10.237 379 H VAL 51 H VAL 51 7.160 15.132 -7.916 380 HA VAL 51 HA VAL 51 5.934 12.708 -6.771 381 HB VAL 51 HB VAL 51 5.772 14.300 -9.335 382 HG11 VAL 51 HG11 VAL 51 4.406 11.606 -8.936 383 HG12 VAL 51 HG12 VAL 51 4.117 12.760 -10.272 384 HG13 VAL 51 HG13 VAL 51 5.680 11.982 -10.124 385 HG21 VAL 51 HG21 VAL 51 3.605 13.408 -7.409 386 HG22 VAL 51 HG22 VAL 51 4.383 15.012 -7.424 387 HG23 VAL 51 HG23 VAL 51 3.410 14.501 -8.797 388 H ILE 52 H ILE 52 6.269 10.595 -7.528 389 HA ILE 52 HA ILE 52 8.603 10.126 -9.299 390 HB ILE 52 HB ILE 52 9.426 8.347 -7.786 391 HG12 ILE 52 HG12 ILE 52 7.687 9.643 -5.649 392 HG13 ILE 52 HG13 ILE 52 7.351 8.084 -6.406 393 HG21 ILE 52 HG21 ILE 52 10.509 10.540 -7.987 394 HG22 ILE 52 HG22 ILE 52 9.548 11.145 -6.617 395 HG23 ILE 52 HG23 ILE 52 10.740 9.841 -6.392 396 HD11 ILE 52 HD11 ILE 52 9.546 7.228 -5.557 397 HD12 ILE 52 HD12 ILE 52 9.740 8.750 -4.655 398 HD13 ILE 52 HD13 ILE 52 8.384 7.670 -4.296 399 H GLY 53 H GLY 53 5.479 9.032 -7.989 400 HA2 GLY 53 HA2 GLY 53 5.036 7.395 -10.328 401 HA3 GLY 53 HA3 GLY 53 5.344 6.442 -8.868 402 H ALA 54 H ALA 54 2.884 5.948 -9.647 403 HA ALA 54 HA ALA 54 1.253 7.445 -7.770 404 HB1 ALA 54 HB1 ALA 54 0.306 7.035 -10.640 405 HB2 ALA 54 HB2 ALA 54 -0.484 7.965 -9.344 406 HB3 ALA 54 HB3 ALA 54 1.020 8.555 -10.070 407 H ILE 55 H ILE 55 -0.130 6.107 -6.614 408 HA ILE 55 HA ILE 55 -0.144 3.253 -7.381 409 HB ILE 55 HB ILE 55 -1.260 4.799 -5.025 410 HG12 ILE 55 HG12 ILE 55 0.875 2.614 -5.152 411 HG13 ILE 55 HG13 ILE 55 1.239 4.335 -5.198 412 HG21 ILE 55 HG21 ILE 55 -1.410 1.801 -5.469 413 HG22 ILE 55 HG22 ILE 55 -1.948 2.718 -4.041 414 HG23 ILE 55 HG23 ILE 55 -2.779 2.941 -5.565 415 HD11 ILE 55 HD11 ILE 55 -0.028 2.826 -2.892 416 HD12 ILE 55 HD12 ILE 55 1.545 3.644 -2.948 417 HD13 ILE 55 HD13 ILE 55 0.047 4.604 -2.995 418 H GLY 56 H GLY 56 -2.596 5.855 -6.781 419 HA2 GLY 56 HA2 GLY 56 -4.662 6.229 -7.635 420 HA3 GLY 56 HA3 GLY 56 -3.961 5.747 -9.166 421 H GLN 57 H GLN 57 -4.463 3.449 -6.493 422 HA GLN 57 HA GLN 57 -6.321 1.972 -8.284 423 HB2 GLN 57 HB2 GLN 57 -4.889 0.983 -5.786 424 HB3 GLN 57 HB3 GLN 57 -5.843 0.042 -6.943 425 HG2 GLN 57 HG2 GLN 57 -4.099 1.137 -8.689 426 HG3 GLN 57 HG3 GLN 57 -3.083 1.195 -7.250 427 HE21 GLN 57 HE21 GLN 57 -2.335 -0.858 -6.335 428 HE22 GLN 57 HE22 GLN 57 -2.523 -2.320 -7.277 429 H THR 58 H THR 58 -8.151 0.842 -7.175 430 HA THR 58 HA THR 58 -9.156 2.175 -4.781 431 HB THR 58 HB THR 58 -10.931 1.911 -7.219 432 HG1 THR 58 HG1 THR 58 -9.387 3.481 -7.694 433 HG21 THR 58 HG21 THR 58 -12.046 2.014 -5.026 434 HG22 THR 58 HG22 THR 58 -12.348 3.505 -5.948 435 HG23 THR 58 HG23 THR 58 -11.159 3.507 -4.623 436 H PHE 59 H PHE 59 -9.979 0.600 -3.435 437 HA PHE 59 HA PHE 59 -11.115 -1.856 -4.634 438 HB2 PHE 59 HB2 PHE 59 -8.989 -1.838 -2.454 439 HB3 PHE 59 HB3 PHE 59 -9.850 -3.266 -3.014 440 HD1 PHE 59 HD1 PHE 59 -9.719 -3.709 -5.675 441 HD2 PHE 59 HD2 PHE 59 -6.839 -1.456 -3.375 442 HE1 PHE 59 HE1 PHE 59 -8.006 -4.114 -7.400 443 HE2 PHE 59 HE2 PHE 59 -5.117 -1.906 -5.099 444 HZ PHE 59 HZ PHE 59 -5.719 -3.183 -7.144 445 H PHE 60 H PHE 60 -12.086 -3.252 -2.649 446 HA PHE 60 HA PHE 60 -13.201 -1.474 -0.556 447 HB2 PHE 60 HB2 PHE 60 -14.869 -3.279 -2.343 448 HB3 PHE 60 HB3 PHE 60 -15.444 -2.362 -0.973 449 HD1 PHE 60 HD1 PHE 60 -14.134 -2.147 -4.431 450 HD2 PHE 60 HD2 PHE 60 -16.157 -0.016 -1.261 451 HE1 PHE 60 HE1 PHE 60 -14.706 -0.376 -5.997 452 HE2 PHE 60 HE2 PHE 60 -16.690 1.795 -2.803 453 HZ PHE 60 HZ PHE 60 -16.064 1.603 -5.238 454 H VAL 61 H VAL 61 -13.875 -2.649 1.409 455 HA VAL 61 HA VAL 61 -13.614 -5.544 1.314 456 HB VAL 61 HB VAL 61 -12.477 -5.576 3.455 457 HG11 VAL 61 HG11 VAL 61 -10.247 -5.182 2.659 458 HG12 VAL 61 HG12 VAL 61 -11.235 -5.955 1.422 459 HG13 VAL 61 HG13 VAL 61 -10.860 -4.217 1.288 460 HG21 VAL 61 HG21 VAL 61 -11.234 -3.630 4.282 461 HG22 VAL 61 HG22 VAL 61 -12.002 -2.606 3.042 462 HG23 VAL 61 HG23 VAL 61 -12.984 -3.385 4.317 463 H ASP 62 H ASP 62 -14.679 -6.478 3.405 464 HA ASP 62 HA ASP 62 -17.098 -4.883 4.057 465 HB2 ASP 62 HB2 ASP 62 -18.235 -6.872 4.344 466 HB3 ASP 62 HB3 ASP 62 -17.235 -7.224 2.938 467 H GLY 63 H GLY 63 -17.905 -6.077 6.351 468 HA2 GLY 63 HA2 GLY 63 -16.451 -4.681 8.331 469 HA3 GLY 63 HA3 GLY 63 -17.669 -5.909 8.602 470 H ASP 64 H ASP 64 -15.990 -7.920 6.968 471 HA ASP 64 HA ASP 64 -14.266 -8.782 9.198 472 HB2 ASP 64 HB2 ASP 64 -15.944 -10.342 8.224 473 HB3 ASP 64 HB3 ASP 64 -15.103 -10.259 6.671 474 H GLY 65 H GLY 65 -13.931 -6.923 6.439 475 HA2 GLY 65 HA2 GLY 65 -12.031 -6.024 5.534 476 HA3 GLY 65 HA3 GLY 65 -11.022 -7.116 6.493 477 H LYS 66 H LYS 66 -13.666 -8.465 4.540 478 HA LYS 66 HA LYS 66 -11.703 -9.996 2.962 479 HB2 LYS 66 HB2 LYS 66 -14.729 -10.102 3.298 480 HB3 LYS 66 HB3 LYS 66 -13.884 -11.070 2.091 481 HG2 LYS 66 HG2 LYS 66 -13.019 -11.154 4.999 482 HG3 LYS 66 HG3 LYS 66 -14.375 -12.132 4.424 483 HD2 LYS 66 HD2 LYS 66 -13.042 -13.407 2.955 484 HD3 LYS 66 HD3 LYS 66 -11.738 -12.229 2.932 485 HE2 LYS 66 HE2 LYS 66 -11.153 -14.260 4.201 486 HE3 LYS 66 HE3 LYS 66 -11.032 -12.774 5.159 487 HZ1 LYS 66 HZ1 LYS 66 -13.018 -13.306 6.276 488 HZ2 LYS 66 HZ2 LYS 66 -12.134 -14.702 6.264 489 HZ3 LYS 66 HZ3 LYS 66 -13.415 -14.510 5.243 490 H ARG 67 H ARG 67 -11.298 -9.683 0.859 491 HA ARG 67 HA ARG 67 -11.916 -7.151 -0.305 492 HB2 ARG 67 HB2 ARG 67 -10.087 -9.360 -0.786 493 HB3 ARG 67 HB3 ARG 67 -10.867 -8.927 -2.301 494 HG2 ARG 67 HG2 ARG 67 -9.648 -6.833 -0.457 495 HG3 ARG 67 HG3 ARG 67 -8.668 -7.723 -1.615 496 HD2 ARG 67 HD2 ARG 67 -11.128 -6.091 -2.393 497 HD3 ARG 67 HD3 ARG 67 -9.439 -5.515 -2.425 498 HE ARG 67 HE ARG 67 -9.170 -7.713 -3.824 499 HH11 ARG 67 HH11 ARG 67 -12.298 -6.296 -4.424 500 HH12 ARG 67 HH12 ARG 67 -11.955 -5.863 -6.044 501 HH21 ARG 67 HH21 ARG 67 -8.788 -7.346 -6.154 502 HH22 ARG 67 HH22 ARG 67 -10.153 -6.817 -7.058 503 H TRP 68 H TRP 68 -13.610 -6.591 -1.317 504 HA TRP 68 HA TRP 68 -15.775 -8.439 -1.873 505 HB2 TRP 68 HB2 TRP 68 -15.283 -5.514 -2.472 506 HB3 TRP 68 HB3 TRP 68 -16.629 -6.372 -3.178 507 HD1 TRP 68 HD1 TRP 68 -15.422 -5.776 0.445 508 HE1 TRP 68 HE1 TRP 68 -17.490 -5.497 1.927 509 HE3 TRP 68 HE3 TRP 68 -18.984 -6.752 -3.035 510 HZ2 TRP 68 HZ2 TRP 68 -20.341 -6.041 1.701 511 HZ3 TRP 68 HZ3 TRP 68 -21.349 -7.047 -2.352 512 HH2 TRP 68 HH2 TRP 68 -22.035 -6.632 -0.026 513 H SER 69 H SER 69 -16.144 -9.570 -3.678 514 HA SER 69 HA SER 69 -14.290 -9.331 -5.942 515 HB2 SER 69 HB2 SER 69 -16.623 -11.233 -5.462 516 HB3 SER 69 HB3 SER 69 -15.492 -11.288 -6.828 517 HG SER 69 HG SER 69 -14.424 -12.542 -5.483 518 H GLU 70 H GLU 70 -15.022 -8.912 -8.110 519 HA GLU 70 HA GLU 70 -16.547 -6.592 -8.356 520 HB2 GLU 70 HB2 GLU 70 -15.820 -8.624 -10.499 521 HB3 GLU 70 HB3 GLU 70 -16.280 -6.933 -10.759 522 HG2 GLU 70 HG2 GLU 70 -14.313 -6.210 -9.378 523 HG3 GLU 70 HG3 GLU 70 -13.829 -7.902 -9.196 524 H GLU 71 H GLU 71 -17.580 -9.938 -8.707 525 HA GLU 71 HA GLU 71 -20.099 -9.437 -9.968 526 HB2 GLU 71 HB2 GLU 71 -19.196 -11.765 -8.212 527 HB3 GLU 71 HB3 GLU 71 -20.612 -11.757 -9.294 528 HG2 GLU 71 HG2 GLU 71 -19.102 -11.216 -11.214 529 HG3 GLU 71 HG3 GLU 71 -17.705 -11.354 -10.137 530 H GLU 72 H GLU 72 -19.012 -9.295 -6.680 531 HA GLU 72 HA GLU 72 -21.725 -9.159 -5.523 532 HB2 GLU 72 HB2 GLU 72 -19.027 -8.656 -4.196 533 HB3 GLU 72 HB3 GLU 72 -20.563 -8.981 -3.400 534 HG2 GLU 72 HG2 GLU 72 -18.858 -10.895 -5.023 535 HG3 GLU 72 HG3 GLU 72 -19.204 -10.955 -3.304 536 H LEU 73 H LEU 73 -19.049 -7.073 -6.509 537 HA LEU 73 HA LEU 73 -20.155 -4.645 -5.381 538 HB2 LEU 73 HB2 LEU 73 -17.964 -5.116 -7.428 539 HB3 LEU 73 HB3 LEU 73 -18.405 -3.514 -6.846 540 HG LEU 73 HG LEU 73 -17.408 -5.782 -5.093 541 HD11 LEU 73 HD11 LEU 73 -16.016 -3.247 -6.040 542 HD12 LEU 73 HD12 LEU 73 -15.689 -4.897 -6.606 543 HD13 LEU 73 HD13 LEU 73 -15.342 -4.471 -4.929 544 HD21 LEU 73 HD21 LEU 73 -17.161 -3.912 -3.382 545 HD22 LEU 73 HD22 LEU 73 -18.816 -4.395 -3.722 546 HD23 LEU 73 HD23 LEU 73 -18.158 -2.907 -4.463 547 H LYS 74 H LYS 74 -20.832 -6.319 -8.332 548 HA LYS 74 HA LYS 74 -21.716 -3.927 -9.775 549 HB2 LYS 74 HB2 LYS 74 -22.621 -5.383 -11.432 550 HB3 LYS 74 HB3 LYS 74 -21.120 -6.139 -10.880 551 HG2 LYS 74 HG2 LYS 74 -22.605 -7.465 -9.257 552 HG3 LYS 74 HG3 LYS 74 -23.988 -6.920 -10.170 553 HD2 LYS 74 HD2 LYS 74 -21.691 -8.404 -11.520 554 HD3 LYS 74 HD3 LYS 74 -23.015 -9.237 -10.697 555 HE2 LYS 74 HE2 LYS 74 -24.622 -7.811 -12.101 556 HE3 LYS 74 HE3 LYS 74 -23.221 -7.365 -13.087 557 HZ1 LYS 74 HZ1 LYS 74 -24.443 -9.171 -14.000 558 HZ2 LYS 74 HZ2 LYS 74 -24.282 -10.099 -12.656 559 HZ3 LYS 74 HZ3 LYS 74 -22.978 -9.745 -13.627 560 H GLU 75 H GLU 75 -23.031 -5.846 -7.211 561 HA GLU 75 HA GLU 75 -25.799 -5.387 -7.647 562 HB2 GLU 75 HB2 GLU 75 -24.326 -6.122 -5.095 563 HB3 GLU 75 HB3 GLU 75 -26.012 -6.455 -5.446 564 HG2 GLU 75 HG2 GLU 75 -25.317 -7.867 -7.384 565 HG3 GLU 75 HG3 GLU 75 -23.643 -7.662 -6.913 566 HA PRO 76 HA PRO 76 -26.348 -1.434 -5.709 567 HB2 PRO 76 HB2 PRO 76 -28.930 -1.434 -5.019 568 HB3 PRO 76 HB3 PRO 76 -28.470 -1.783 -6.701 569 HG2 PRO 76 HG2 PRO 76 -29.096 -3.785 -4.500 570 HG3 PRO 76 HG3 PRO 76 -29.795 -3.708 -6.143 571 HD2 PRO 76 HD2 PRO 76 -27.648 -5.261 -5.433 572 HD3 PRO 76 HD3 PRO 76 -27.831 -4.646 -7.099 573 H TYR 77 H TYR 77 -27.610 -0.502 -3.494 574 HA TYR 77 HA TYR 77 -25.960 -1.613 -1.356 575 HB2 TYR 77 HB2 TYR 77 -26.128 0.816 -1.643 576 HB3 TYR 77 HB3 TYR 77 -27.852 0.765 -1.315 577 HD1 TYR 77 HD1 TYR 77 -24.896 -0.911 0.347 578 HD2 TYR 77 HD2 TYR 77 -28.269 1.724 0.821 579 HE1 TYR 77 HE1 TYR 77 -24.399 -0.756 2.737 580 HE2 TYR 77 HE2 TYR 77 -27.762 1.922 3.230 581 HH TYR 77 HH TYR 77 -25.314 -0.113 4.808 582 H ILE 78 H ILE 78 -29.422 -0.563 -0.989 583 HA ILE 78 HA ILE 78 -29.780 -2.731 0.898 584 HB ILE 78 HB ILE 78 -32.112 -2.061 1.027 585 HG12 ILE 78 HG12 ILE 78 -31.550 0.175 -0.964 586 HG13 ILE 78 HG13 ILE 78 -32.434 -1.308 -1.366 587 HG21 ILE 78 HG21 ILE 78 -30.258 0.354 1.149 588 HG22 ILE 78 HG22 ILE 78 -31.704 0.059 2.132 589 HG23 ILE 78 HG23 ILE 78 -30.288 -0.961 2.342 590 HD11 ILE 78 HD11 ILE 78 -34.021 0.440 -0.926 591 HD12 ILE 78 HD12 ILE 78 -34.129 -0.767 0.369 592 HD13 ILE 78 HD13 ILE 78 -33.302 0.785 0.656 593 H SER 79 H SER 79 -30.819 -4.670 0.604 594 HA SER 79 HA SER 79 -31.808 -5.451 -2.035 595 HB2 SER 79 HB2 SER 79 -29.261 -6.301 -0.696 596 HB3 SER 79 HB3 SER 79 -30.231 -7.610 -1.368 597 HG SER 79 HG SER 79 -28.620 -6.054 -2.642 598 H ASN 80 H ASN 80 -32.732 -7.715 -1.836 599 HA ASN 80 HA ASN 80 -34.500 -7.764 0.482 600 HB2 ASN 80 HB2 ASN 80 -35.843 -9.171 -0.679 601 HB3 ASN 80 HB3 ASN 80 -35.063 -8.372 -2.041 602 HD21 ASN 80 HD21 ASN 80 -32.804 -9.686 -2.708 603 HD22 ASN 80 HD22 ASN 80 -32.938 -11.416 -2.517 604 H ASN 81 H ASN 81 -31.436 -9.085 -0.044 605 HA ASN 81 HA ASN 81 -31.812 -11.346 1.870 606 HB2 ASN 81 HB2 ASN 81 -29.700 -10.672 -0.186 607 HB3 ASN 81 HB3 ASN 81 -29.498 -11.915 1.019 608 HD21 ASN 81 HD21 ASN 81 -30.879 -13.922 0.943 609 HD22 ASN 81 HD22 ASN 81 -31.351 -14.366 -0.679 610 HA PRO 82 HA PRO 82 -29.639 -7.807 4.067 611 HB2 PRO 82 HB2 PRO 82 -30.834 -8.017 6.532 612 HB3 PRO 82 HB3 PRO 82 -31.531 -7.130 5.139 613 HG2 PRO 82 HG2 PRO 82 -32.118 -9.984 6.001 614 HG3 PRO 82 HG3 PRO 82 -33.294 -8.675 5.635 615 HD2 PRO 82 HD2 PRO 82 -32.633 -10.509 3.747 616 HD3 PRO 82 HD3 PRO 82 -32.821 -8.785 3.305 617 H ASP 83 H ASP 83 -29.652 -11.223 4.631 618 HA ASP 83 HA ASP 83 -27.564 -10.941 6.739 619 HB2 ASP 83 HB2 ASP 83 -29.535 -12.597 6.894 620 HB3 ASP 83 HB3 ASP 83 -28.625 -13.584 5.745 621 H GLU 84 H GLU 84 -27.917 -11.632 3.362 622 HA GLU 84 HA GLU 84 -25.320 -12.981 3.077 623 HB2 GLU 84 HB2 GLU 84 -26.999 -11.662 0.908 624 HB3 GLU 84 HB3 GLU 84 -25.711 -12.832 0.667 625 HG2 GLU 84 HG2 GLU 84 -28.355 -13.371 2.066 626 HG3 GLU 84 HG3 GLU 84 -28.038 -13.690 0.366 627 H ILE 85 H ILE 85 -26.726 -9.745 2.409 628 HA ILE 85 HA ILE 85 -24.281 -8.606 1.414 629 HB ILE 85 HB ILE 85 -25.472 -6.514 1.449 630 HG12 ILE 85 HG12 ILE 85 -27.590 -7.924 3.111 631 HG13 ILE 85 HG13 ILE 85 -26.589 -6.572 3.592 632 HG21 ILE 85 HG21 ILE 85 -27.369 -8.729 0.539 633 HG22 ILE 85 HG22 ILE 85 -27.225 -7.088 -0.113 634 HG23 ILE 85 HG23 ILE 85 -25.904 -8.231 -0.330 635 HD11 ILE 85 HD11 ILE 85 -28.837 -6.526 1.557 636 HD12 ILE 85 HD12 ILE 85 -28.744 -5.686 3.114 637 HD13 ILE 85 HD13 ILE 85 -27.688 -5.179 1.782 638 H ARG 86 H ARG 86 -23.079 -6.849 2.421 639 HA ARG 86 HA ARG 86 -23.231 -6.517 5.303 640 HB2 ARG 86 HB2 ARG 86 -21.715 -8.577 4.542 641 HB3 ARG 86 HB3 ARG 86 -20.561 -7.346 4.118 642 HG2 ARG 86 HG2 ARG 86 -20.000 -6.962 6.303 643 HG3 ARG 86 HG3 ARG 86 -21.683 -6.891 6.823 644 HD2 ARG 86 HD2 ARG 86 -20.561 -8.708 7.953 645 HD3 ARG 86 HD3 ARG 86 -21.829 -9.320 6.922 646 HE ARG 86 HE ARG 86 -18.928 -9.303 6.114 647 HH11 ARG 86 HH11 ARG 86 -22.095 -11.007 5.948 648 HH12 ARG 86 HH12 ARG 86 -21.444 -12.256 4.964 649 HH21 ARG 86 HH21 ARG 86 -18.143 -10.904 5.008 650 HH22 ARG 86 HH22 ARG 86 -19.129 -12.234 4.409 651 H GLU 87 H GLU 87 -21.290 -4.961 5.878 652 HA GLU 87 HA GLU 87 -21.708 -2.593 4.415 653 HB2 GLU 87 HB2 GLU 87 -20.015 -1.595 5.802 654 HB3 GLU 87 HB3 GLU 87 -21.220 -2.496 6.739 655 HG2 GLU 87 HG2 GLU 87 -19.627 -4.337 6.923 656 HG3 GLU 87 HG3 GLU 87 -18.401 -3.415 6.027 657 H LYS 88 H LYS 88 -19.981 -1.212 3.465 658 HA LYS 88 HA LYS 88 -17.882 -2.755 2.030 659 HB2 LYS 88 HB2 LYS 88 -20.051 -2.392 0.684 660 HB3 LYS 88 HB3 LYS 88 -19.628 -0.670 0.679 661 HG2 LYS 88 HG2 LYS 88 -17.297 -1.569 -0.170 662 HG3 LYS 88 HG3 LYS 88 -18.176 -3.029 -0.581 663 HD2 LYS 88 HD2 LYS 88 -18.486 -0.223 -1.647 664 HD3 LYS 88 HD3 LYS 88 -18.123 -1.678 -2.563 665 HE2 LYS 88 HE2 LYS 88 -20.728 -0.892 -1.240 666 HE3 LYS 88 HE3 LYS 88 -20.364 -0.743 -2.953 667 HZ1 LYS 88 HZ1 LYS 88 -20.360 -3.429 -1.710 668 HZ2 LYS 88 HZ2 LYS 88 -20.678 -2.969 -3.296 669 HZ3 LYS 88 HZ3 LYS 88 -21.750 -2.697 -2.163 670 H LYS 89 H LYS 89 -16.002 -1.844 2.660 671 HA LYS 89 HA LYS 89 -15.837 1.005 3.438 672 HB2 LYS 89 HB2 LYS 89 -13.846 -1.254 3.855 673 HB3 LYS 89 HB3 LYS 89 -13.811 0.350 4.587 674 HG2 LYS 89 HG2 LYS 89 -15.940 -0.174 5.769 675 HG3 LYS 89 HG3 LYS 89 -15.941 -1.793 5.038 676 HD2 LYS 89 HD2 LYS 89 -13.635 -2.114 6.175 677 HD3 LYS 89 HD3 LYS 89 -14.069 -0.651 7.107 678 HE2 LYS 89 HE2 LYS 89 -16.244 -1.734 7.673 679 HE3 LYS 89 HE3 LYS 89 -15.694 -3.194 6.821 680 HZ1 LYS 89 HZ1 LYS 89 -15.423 -3.132 9.331 681 HZ2 LYS 89 HZ2 LYS 89 -14.297 -2.006 9.156 682 HZ3 LYS 89 HZ3 LYS 89 -14.034 -3.512 8.519 683 HA PRO 90 HA PRO 90 -13.874 1.144 -0.720 684 HB2 PRO 90 HB2 PRO 90 -14.017 3.856 -1.100 685 HB3 PRO 90 HB3 PRO 90 -15.433 2.782 -1.299 686 HG2 PRO 90 HG2 PRO 90 -14.698 4.465 1.061 687 HG3 PRO 90 HG3 PRO 90 -16.305 4.286 0.304 688 HD2 PRO 90 HD2 PRO 90 -15.605 2.913 2.538 689 HD3 PRO 90 HD3 PRO 90 -16.679 2.227 1.285 690 H LEU 91 H LEU 91 -11.749 1.540 -1.273 691 HA LEU 91 HA LEU 91 -9.884 3.010 0.585 692 HB2 LEU 91 HB2 LEU 91 -9.337 0.442 -0.970 693 HB3 LEU 91 HB3 LEU 91 -8.294 1.206 0.208 694 HG LEU 91 HG LEU 91 -10.989 -0.100 0.817 695 HD11 LEU 91 HD11 LEU 91 -9.424 -1.768 0.036 696 HD12 LEU 91 HD12 LEU 91 -9.693 -1.948 1.777 697 HD13 LEU 91 HD13 LEU 91 -8.192 -1.206 1.186 698 HD21 LEU 91 HD21 LEU 91 -10.241 1.673 2.476 699 HD22 LEU 91 HD22 LEU 91 -8.818 0.660 2.803 700 HD23 LEU 91 HD23 LEU 91 -10.462 0.052 3.128 701 H ARG 92 H ARG 92 -9.409 4.866 -0.635 702 HA ARG 92 HA ARG 92 -9.015 4.606 -3.582 703 HB2 ARG 92 HB2 ARG 92 -9.901 6.839 -1.706 704 HB3 ARG 92 HB3 ARG 92 -9.225 7.182 -3.297 705 HG2 ARG 92 HG2 ARG 92 -10.921 5.912 -4.417 706 HG3 ARG 92 HG3 ARG 92 -11.646 5.412 -2.865 707 HD2 ARG 92 HD2 ARG 92 -12.356 7.596 -2.363 708 HD3 ARG 92 HD3 ARG 92 -11.187 8.332 -3.448 709 HE ARG 92 HE ARG 92 -12.644 8.223 -5.167 710 HH11 ARG 92 HH11 ARG 92 -13.817 6.004 -2.692 711 HH12 ARG 92 HH12 ARG 92 -14.851 5.107 -3.763 712 HH21 ARG 92 HH21 ARG 92 -14.518 7.512 -6.379 713 HH22 ARG 92 HH22 ARG 92 -15.334 6.053 -5.880 714 H TYR 93 H TYR 93 -6.905 4.538 -4.147 715 HA TYR 93 HA TYR 93 -4.894 5.743 -2.364 716 HB2 TYR 93 HB2 TYR 93 -4.553 3.871 -4.679 717 HB3 TYR 93 HB3 TYR 93 -3.279 4.553 -3.683 718 HD1 TYR 93 HD2 TYR 93 -6.246 2.245 -3.606 719 HD2 TYR 93 HD1 TYR 93 -2.706 3.626 -1.541 720 HE1 TYR 93 HE2 TYR 93 -6.386 0.317 -2.078 721 HE2 TYR 93 HE1 TYR 93 -2.845 1.692 -0.038 722 HH TYR 93 HH TYR 93 -3.874 -0.384 0.380 723 H GLY 94 H GLY 94 -3.260 7.084 -3.001 724 HA2 GLY 94 HA2 GLY 94 -3.793 9.093 -4.914 725 HA3 GLY 94 HA3 GLY 94 -3.043 9.040 -3.324 726 H LYS 95 H LYS 95 -1.790 10.301 -5.394 727 HA LYS 95 HA LYS 95 -0.008 8.616 -6.890 728 HB2 LYS 95 HB2 LYS 95 -0.873 10.888 -7.504 729 HB3 LYS 95 HB3 LYS 95 0.081 11.595 -6.213 730 HG2 LYS 95 HG2 LYS 95 2.130 11.145 -7.324 731 HG3 LYS 95 HG3 LYS 95 1.367 9.965 -8.405 732 HD2 LYS 95 HD2 LYS 95 0.640 12.896 -8.480 733 HD3 LYS 95 HD3 LYS 95 1.969 12.223 -9.415 734 HE2 LYS 95 HE2 LYS 95 -0.366 10.523 -9.770 735 HE3 LYS 95 HE3 LYS 95 -0.832 12.204 -10.039 736 HZ1 LYS 95 HZ1 LYS 95 0.962 12.406 -11.607 737 HZ2 LYS 95 HZ2 LYS 95 -0.084 11.261 -12.086 738 HZ3 LYS 95 HZ3 LYS 95 1.363 10.791 -11.464 739 H VAL 96 H VAL 96 2.548 8.969 -6.547 740 HA VAL 96 HA VAL 96 3.133 9.022 -3.644 741 HB VAL 96 HB VAL 96 4.300 7.146 -5.719 742 HG11 VAL 96 HG11 VAL 96 5.995 7.776 -3.979 743 HG12 VAL 96 HG12 VAL 96 4.845 7.277 -2.713 744 HG13 VAL 96 HG13 VAL 96 5.497 6.092 -3.860 745 HG21 VAL 96 HG21 VAL 96 3.220 5.396 -4.285 746 HG22 VAL 96 HG22 VAL 96 2.472 6.665 -3.300 747 HG23 VAL 96 HG23 VAL 96 2.030 6.482 -5.009 748 H TYR 97 H TYR 97 4.925 10.031 -2.984 749 HA TYR 97 HA TYR 97 6.457 11.621 -4.972 750 HB2 TYR 97 HB2 TYR 97 5.720 12.550 -2.191 751 HB3 TYR 97 HB3 TYR 97 6.272 13.494 -3.552 752 HD1 TYR 97 HD2 TYR 97 3.324 11.759 -2.027 753 HD2 TYR 97 HD1 TYR 97 4.694 14.341 -5.194 754 HE1 TYR 97 HE2 TYR 97 1.000 12.286 -2.582 755 HE2 TYR 97 HE1 TYR 97 2.345 14.888 -5.761 756 HH TYR 97 HH TYR 97 -0.431 13.154 -4.228 757 H SER 98 H SER 98 8.494 12.430 -3.973 758 HA SER 98 HA SER 98 9.858 10.298 -2.415 759 HB2 SER 98 HB2 SER 98 10.497 11.665 -4.727 760 HB3 SER 98 HB3 SER 98 11.422 12.581 -3.575 761 HG SER 98 HG SER 98 12.217 10.327 -2.920 762 H THR 99 H THR 99 11.551 11.268 -0.904 763 HA THR 99 HA THR 99 10.295 13.416 0.730 764 HB THR 99 HB THR 99 11.881 12.507 2.498 765 HG1 THR 99 HG1 THR 99 12.783 10.578 2.195 766 HG21 THR 99 HG21 THR 99 9.449 11.980 2.463 767 HG22 THR 99 HG22 THR 99 10.421 10.652 3.104 768 HG23 THR 99 HG23 THR 99 9.785 10.557 1.450 769 H ASN 100 H ASN 100 12.458 14.379 2.065 770 HA ASN 100 HA ASN 100 13.673 16.136 0.078 771 HB2 ASN 100 HB2 ASN 100 12.734 16.803 2.341 772 HB3 ASN 100 HB3 ASN 100 14.133 16.024 3.083 773 HD21 ASN 100 HD21 ASN 100 12.905 18.928 1.831 774 HD22 ASN 100 HD22 ASN 100 14.419 19.789 1.807 775 H GLU 101 H GLU 101 14.692 14.148 -0.940 776 HA GLU 101 HA GLU 101 17.450 13.924 -0.150 777 HB2 GLU 101 HB2 GLU 101 17.337 11.413 -0.539 778 HB3 GLU 101 HB3 GLU 101 17.123 12.128 1.068 779 HG2 GLU 101 HG2 GLU 101 14.773 12.004 0.962 780 HG3 GLU 101 HG3 GLU 101 14.772 11.532 -0.743 781 H ASP 102 H ASP 102 17.982 14.771 -1.933 782 HA ASP 102 HA ASP 102 16.888 14.066 -4.590 783 HB2 ASP 102 HB2 ASP 102 17.452 16.451 -3.661 784 HB3 ASP 102 HB3 ASP 102 19.114 16.055 -4.104 785 H SER 103 H SER 103 18.492 12.115 -3.010 786 HA SER 103 HA SER 103 20.938 11.695 -4.567 787 HB2 SER 103 HB2 SER 103 20.006 10.413 -1.968 788 HB3 SER 103 HB3 SER 103 21.657 10.491 -2.607 789 HG SER 103 HG SER 103 21.884 12.439 -1.844 790 H ASP 104 H ASP 104 21.192 8.992 -4.096 791 HA ASP 104 HA ASP 104 19.124 7.884 -5.853 792 HB2 ASP 104 HB2 ASP 104 21.623 6.540 -4.722 793 HB3 ASP 104 HB3 ASP 104 20.585 5.892 -5.970 794 H ALA 105 H ALA 105 19.931 7.990 -2.600 795 HA ALA 105 HA ALA 105 19.453 5.922 -1.119 796 HB1 ALA 105 HB1 ALA 105 18.360 7.350 0.554 797 HB2 ALA 105 HB2 ALA 105 19.678 8.224 -0.256 798 HB3 ALA 105 HB3 ALA 105 17.993 8.566 -0.683 799 H LYS 106 H LYS 106 16.514 7.769 -1.996 800 HA LYS 106 HA LYS 106 14.319 7.166 -2.031 801 HB2 LYS 106 HB2 LYS 106 15.566 6.329 -4.188 802 HB3 LYS 106 HB3 LYS 106 15.245 4.735 -3.553 803 HG2 LYS 106 HG2 LYS 106 13.360 4.961 -4.805 804 HG3 LYS 106 HG3 LYS 106 12.739 5.700 -3.350 805 HD2 LYS 106 HD2 LYS 106 12.152 6.983 -5.360 806 HD3 LYS 106 HD3 LYS 106 13.130 7.936 -4.239 807 HE2 LYS 106 HE2 LYS 106 13.728 8.224 -6.660 808 HE3 LYS 106 HE3 LYS 106 15.073 7.776 -5.610 809 HZ1 LYS 106 HZ1 LYS 106 15.016 5.572 -6.436 810 HZ2 LYS 106 HZ2 LYS 106 15.033 6.554 -7.715 811 HZ3 LYS 106 HZ3 LYS 106 13.608 5.813 -7.269 812 H ASP 107 H ASP 107 15.353 6.423 0.453 813 HA ASP 107 HA ASP 107 14.314 3.646 0.844 814 HB2 ASP 107 HB2 ASP 107 15.460 3.285 2.676 815 HB3 ASP 107 HB3 ASP 107 16.628 4.164 1.700 816 H GLU 108 H GLU 108 13.288 6.835 1.076 817 HA GLU 108 HA GLU 108 10.944 5.988 2.634 818 HB2 GLU 108 HB2 GLU 108 12.811 8.273 3.202 819 HB3 GLU 108 HB3 GLU 108 11.072 8.476 3.485 820 HG2 GLU 108 HG2 GLU 108 11.052 6.592 5.067 821 HG3 GLU 108 HG3 GLU 108 12.793 6.326 4.758 822 H ILE 109 H ILE 109 9.161 6.920 1.834 823 HA ILE 109 HA ILE 109 9.255 8.937 -0.322 824 HB ILE 109 HB ILE 109 7.857 7.475 -1.817 825 HG12 ILE 109 HG12 ILE 109 8.342 4.902 -1.388 826 HG13 ILE 109 HG13 ILE 109 8.446 5.375 0.301 827 HG21 ILE 109 HG21 ILE 109 9.666 6.258 -2.806 828 HG22 ILE 109 HG22 ILE 109 10.304 7.792 -2.180 829 HG23 ILE 109 HG23 ILE 109 10.593 6.270 -1.308 830 HD11 ILE 109 HD11 ILE 109 6.116 6.584 -0.247 831 HD12 ILE 109 HD12 ILE 109 6.105 5.434 -1.592 832 HD13 ILE 109 HD13 ILE 109 6.205 4.879 0.095 833 H ILE 110 H ILE 110 6.703 9.336 -0.942 834 HA ILE 110 HA ILE 110 5.147 9.197 1.582 835 HB ILE 110 HB ILE 110 5.111 11.539 -0.321 836 HG12 ILE 110 HG12 ILE 110 6.899 11.115 2.108 837 HG13 ILE 110 HG13 ILE 110 7.405 11.415 0.438 838 HG21 ILE 110 HG21 ILE 110 3.975 12.666 1.483 839 HG22 ILE 110 HG22 ILE 110 3.169 11.116 1.256 840 HG23 ILE 110 HG23 ILE 110 4.306 11.324 2.604 841 HD11 ILE 110 HD11 ILE 110 6.206 13.361 2.364 842 HD12 ILE 110 HD12 ILE 110 7.743 13.420 1.478 843 HD13 ILE 110 HD13 ILE 110 6.207 13.620 0.592 844 H VAL 111 H VAL 111 3.438 7.981 1.288 845 HA VAL 111 HA VAL 111 2.255 7.421 -1.346 846 HB VAL 111 HB VAL 111 2.107 6.318 1.472 847 HG11 VAL 111 HG11 VAL 111 -0.173 6.015 0.595 848 HG12 VAL 111 HG12 VAL 111 0.478 5.247 -0.860 849 HG13 VAL 111 HG13 VAL 111 0.654 4.494 0.746 850 HG21 VAL 111 HG21 VAL 111 4.095 5.782 0.196 851 HG22 VAL 111 HG22 VAL 111 3.186 4.377 0.645 852 HG23 VAL 111 HG23 VAL 111 3.108 4.975 -1.045 853 H GLU 112 H GLU 112 0.287 8.382 -1.927 854 HA GLU 112 HA GLU 112 -1.122 9.900 0.179 855 HB2 GLU 112 HB2 GLU 112 -0.487 10.868 -1.976 856 HB3 GLU 112 HB3 GLU 112 -1.285 9.662 -2.768 857 HG2 GLU 112 HG2 GLU 112 -3.485 10.540 -1.734 858 HG3 GLU 112 HG3 GLU 112 -2.568 11.923 -1.172 859 H PHE 113 H PHE 113 -3.255 9.309 0.819 860 HA PHE 113 HA PHE 113 -4.753 7.198 -0.542 861 HB2 PHE 113 HB2 PHE 113 -3.113 6.033 0.980 862 HB3 PHE 113 HB3 PHE 113 -3.796 6.907 2.339 863 HD1 PHE 113 HD2 PHE 113 -5.356 4.970 -0.550 864 HD2 PHE 113 HD1 PHE 113 -4.812 5.285 3.699 865 HE1 PHE 113 HE2 PHE 113 -6.888 3.132 -0.259 866 HE2 PHE 113 HE1 PHE 113 -6.273 3.298 3.978 867 HZ PHE 113 HZ PHE 113 -7.467 2.344 2.052 868 H ASN 114 H ASN 114 -7.007 7.335 0.135 869 HA ASN 114 HA ASN 114 -8.875 8.556 0.622 870 HB2 ASN 114 HB2 ASN 114 -7.555 8.978 3.324 871 HB3 ASN 114 HB3 ASN 114 -9.270 9.058 2.979 872 HD21 ASN 114 HD21 ASN 114 -10.415 6.890 2.360 873 HD22 ASN 114 HD22 ASN 114 -9.676 5.470 3.068 874 H ARG 115 H ARG 115 -6.972 10.182 -0.757 875 HA ARG 115 HA ARG 115 -6.577 12.337 -1.368 876 HB2 ARG 115 HB2 ARG 115 -8.879 13.213 0.411 877 HB3 ARG 115 HB3 ARG 115 -8.195 14.038 -0.971 878 HG2 ARG 115 HG2 ARG 115 -9.751 13.125 -2.266 879 HG3 ARG 115 HG3 ARG 115 -8.968 11.566 -2.036 880 HD2 ARG 115 HD2 ARG 115 -11.275 11.292 -1.541 881 HD3 ARG 115 HD3 ARG 115 -10.350 11.120 -0.051 882 HE ARG 115 HE ARG 115 -11.521 12.814 0.868 883 HH11 ARG 115 HH11 ARG 115 -11.673 13.514 -2.594 884 HH12 ARG 115 HH12 ARG 115 -13.103 14.475 -2.473 885 HH21 ARG 115 HH21 ARG 115 -13.404 14.129 1.032 886 HH22 ARG 115 HH22 ARG 115 -14.174 14.735 -0.369 887 H GLU 116 H GLU 116 -4.988 11.307 0.948 888 HA GLU 116 HA GLU 116 -4.072 13.847 1.991 889 HB2 GLU 116 HB2 GLU 116 -5.116 11.480 3.642 890 HB3 GLU 116 HB3 GLU 116 -3.867 12.549 4.273 891 HG2 GLU 116 HG2 GLU 116 -6.692 13.342 3.475 892 HG3 GLU 116 HG3 GLU 116 -6.001 13.300 5.100 893 H TYR 117 H TYR 117 -1.897 13.513 2.956 894 HA TYR 117 HA TYR 117 -0.412 11.452 1.412 895 HB2 TYR 117 HB2 TYR 117 0.640 13.990 2.682 896 HB3 TYR 117 HB3 TYR 117 1.402 12.998 1.442 897 HD1 TYR 117 HD1 TYR 117 -0.280 12.614 -0.674 898 HD2 TYR 117 HD2 TYR 117 -0.495 15.948 2.019 899 HE1 TYR 117 HE1 TYR 117 -1.332 13.985 -2.465 900 HE2 TYR 117 HE2 TYR 117 -1.715 17.244 0.310 901 HH TYR 117 HH TYR 117 -2.635 17.210 -1.825 902 H TYR 118 H TYR 118 0.891 9.973 2.368 903 HA TYR 118 HA TYR 118 1.444 10.240 5.295 904 HB2 TYR 118 HB2 TYR 118 0.688 7.726 3.768 905 HB3 TYR 118 HB3 TYR 118 1.174 7.802 5.455 906 HD1 TYR 118 HD1 TYR 118 -1.500 8.637 3.029 907 HD2 TYR 118 HD2 TYR 118 -0.307 8.759 7.175 908 HE1 TYR 118 HE1 TYR 118 -3.786 9.318 3.656 909 HE2 TYR 118 HE2 TYR 118 -2.594 9.379 7.826 910 HH TYR 118 HH TYR 118 -4.664 9.986 7.086 911 H ARG 119 H ARG 119 3.557 10.194 5.768 912 HA ARG 119 HA ARG 119 5.544 9.596 3.727 913 HB2 ARG 119 HB2 ARG 119 5.818 11.283 5.595 914 HB3 ARG 119 HB3 ARG 119 5.950 9.955 6.746 915 HG2 ARG 119 HG2 ARG 119 7.696 9.615 4.413 916 HG3 ARG 119 HG3 ARG 119 7.984 11.165 5.135 917 HD2 ARG 119 HD2 ARG 119 7.949 8.611 6.813 918 HD3 ARG 119 HD3 ARG 119 9.378 9.101 5.913 919 HE ARG 119 HE ARG 119 8.292 10.268 8.327 920 HH11 ARG 119 HH11 ARG 119 10.790 10.652 5.913 921 HH12 ARG 119 HH12 ARG 119 11.013 12.371 6.114 922 HH21 ARG 119 HH21 ARG 119 9.253 12.241 9.211 923 HH22 ARG 119 HH22 ARG 119 10.354 13.155 8.210 924 H ALA 120 H ALA 120 6.712 7.683 3.517 925 HA ALA 120 HA ALA 120 6.093 5.459 5.375 926 HB1 ALA 120 HB1 ALA 120 5.592 4.004 3.547 927 HB2 ALA 120 HB2 ALA 120 4.642 5.484 3.284 928 HB3 ALA 120 HB3 ALA 120 6.123 5.215 2.352 929 H VAL 121 H VAL 121 7.749 3.775 5.346 930 HA VAL 121 HA VAL 121 10.432 4.558 4.235 931 HB VAL 121 HB VAL 121 10.027 2.494 6.402 932 HG11 VAL 121 HG11 VAL 121 12.289 2.744 5.460 933 HG12 VAL 121 HG12 VAL 121 12.299 4.457 5.908 934 HG13 VAL 121 HG13 VAL 121 12.235 3.193 7.156 935 HG21 VAL 121 HG21 VAL 121 8.820 4.389 7.227 936 HG22 VAL 121 HG22 VAL 121 10.233 3.942 8.174 937 HG23 VAL 121 HG23 VAL 121 10.285 5.407 7.126 938 H LEU 122 H LEU 122 11.657 2.932 3.228 939 HA LEU 122 HA LEU 122 10.253 0.795 1.944 940 HB2 LEU 122 HB2 LEU 122 12.301 2.024 1.110 941 HB3 LEU 122 HB3 LEU 122 13.278 1.218 2.340 942 HG LEU 122 HG LEU 122 12.825 -0.971 1.318 943 HD11 LEU 122 HD11 LEU 122 11.022 0.576 -0.547 944 HD12 LEU 122 HD12 LEU 122 10.561 -0.776 0.527 945 HD13 LEU 122 HD13 LEU 122 11.569 -1.078 -0.882 946 HD21 LEU 122 HD21 LEU 122 13.771 -0.586 -1.016 947 HD22 LEU 122 HD22 LEU 122 14.660 0.370 0.201 948 HD23 LEU 122 HD23 LEU 122 13.435 1.128 -0.811 949 H ILE 123 H ILE 123 9.790 -1.298 2.820 950 HA ILE 123 HA ILE 123 10.429 -1.523 5.674 951 HB ILE 123 HB ILE 123 8.709 -3.085 3.664 952 HG12 ILE 123 HG12 ILE 123 7.870 -1.991 6.337 953 HG13 ILE 123 HG13 ILE 123 8.103 -0.890 4.968 954 HG21 ILE 123 HG21 ILE 123 7.911 -4.516 5.635 955 HG22 ILE 123 HG22 ILE 123 9.492 -4.912 5.005 956 HG23 ILE 123 HG23 ILE 123 9.350 -3.969 6.513 957 HD11 ILE 123 HD11 ILE 123 6.433 -1.832 3.697 958 HD12 ILE 123 HD12 ILE 123 6.319 -3.322 4.662 959 HD13 ILE 123 HD13 ILE 123 5.712 -1.788 5.307 960 H LYS 124 H LYS 124 10.703 -3.411 2.654 961 HA LYS 124 HA LYS 124 12.235 -5.539 3.503 962 HB2 LYS 124 HB2 LYS 124 12.732 -5.769 1.178 963 HB3 LYS 124 HB3 LYS 124 11.033 -5.634 1.494 964 HG2 LYS 124 HG2 LYS 124 10.831 -3.705 0.263 965 HG3 LYS 124 HG3 LYS 124 12.443 -3.110 0.684 966 HD2 LYS 124 HD2 LYS 124 12.100 -5.542 -1.113 967 HD3 LYS 124 HD3 LYS 124 12.062 -3.892 -1.762 968 HE2 LYS 124 HE2 LYS 124 14.239 -3.382 -0.889 969 HE3 LYS 124 HE3 LYS 124 14.322 -4.887 0.024 970 HZ1 LYS 124 HZ1 LYS 124 14.587 -6.116 -1.957 971 HZ2 LYS 124 HZ2 LYS 124 15.590 -4.836 -2.096 972 HZ3 LYS 124 HZ3 LYS 124 14.192 -4.869 -2.941 973 H ASN 125 H ASN 125 13.295 -2.280 3.172 974 HA ASN 125 HA ASN 125 16.095 -2.819 2.699 975 HB2 ASN 125 HB2 ASN 125 15.061 -0.725 2.030 976 HB3 ASN 125 HB3 ASN 125 14.583 -0.357 3.696 977 HD21 ASN 125 HD21 ASN 125 15.848 1.404 4.266 978 HD22 ASN 125 HD22 ASN 125 17.553 1.520 4.002 979 H GLU 126 H GLU 126 14.294 -1.471 5.537 980 HA GLU 126 HA GLU 126 16.399 -2.008 7.381 981 HB2 GLU 126 HB2 GLU 126 14.800 -1.176 9.026 982 HB3 GLU 126 HB3 GLU 126 14.790 -0.130 7.591 983 HG2 GLU 126 HG2 GLU 126 12.752 -1.171 6.774 984 HG3 GLU 126 HG3 GLU 126 12.870 -2.439 8.006 985 H LYS 127 H LYS 127 14.205 -4.050 6.091 986 HA LYS 127 HA LYS 127 13.512 -5.878 8.275 987 HB2 LYS 127 HB2 LYS 127 13.413 -5.831 5.272 988 HB3 LYS 127 HB3 LYS 127 13.401 -7.411 5.967 989 HG2 LYS 127 HG2 LYS 127 11.395 -5.353 6.922 990 HG3 LYS 127 HG3 LYS 127 11.168 -6.281 5.422 991 HD2 LYS 127 HD2 LYS 127 11.420 -8.379 6.631 992 HD3 LYS 127 HD3 LYS 127 11.558 -7.507 8.173 993 HE2 LYS 127 HE2 LYS 127 9.249 -6.600 7.778 994 HE3 LYS 127 HE3 LYS 127 9.190 -7.481 6.238 995 HZ1 LYS 127 HZ1 LYS 127 9.287 -8.656 8.950 996 HZ2 LYS 127 HZ2 LYS 127 9.574 -9.524 7.595 997 HZ3 LYS 127 HZ3 LYS 127 8.103 -8.820 7.814 998 H GLU 128 H GLU 128 16.354 -5.111 7.024 999 HA GLU 128 HA GLU 128 17.650 -7.800 7.399 1000 HB2 GLU 128 HB2 GLU 128 17.614 -6.896 5.029 1001 HB3 GLU 128 HB3 GLU 128 18.623 -5.557 5.571 1002 HG2 GLU 128 HG2 GLU 128 20.390 -7.181 6.231 1003 HG3 GLU 128 HG3 GLU 128 19.351 -8.519 5.719 Start of MODEL 17 1 H1 GLY 1 H GLY 1 22.538 -24.028 -33.172 2 HA2 GLY 1 HA2 GLY 1 24.699 -23.174 -32.410 3 HA3 GLY 1 HA3 GLY 1 23.833 -22.395 -31.069 4 H SER 2 H SER 2 24.648 -23.493 -29.296 5 HA SER 2 HA SER 2 23.838 -26.253 -28.895 6 HB2 SER 2 HB2 SER 2 26.239 -26.275 -29.839 7 HB3 SER 2 HB3 SER 2 26.714 -25.418 -28.348 8 HG SER 2 HG SER 2 26.898 -27.647 -28.032 9 H THR 3 H THR 3 23.681 -26.600 -26.558 10 HA THR 3 HA THR 3 23.328 -24.081 -25.092 11 HB THR 3 HB THR 3 21.491 -25.725 -25.400 12 HG1 THR 3 HG1 THR 3 21.872 -24.262 -23.425 13 HG21 THR 3 HG21 THR 3 23.006 -27.483 -23.431 14 HG22 THR 3 HG22 THR 3 22.739 -27.850 -25.151 15 HG23 THR 3 HG23 THR 3 21.361 -27.741 -24.041 16 H MET 4 H MET 4 23.812 -24.221 -22.644 17 HA MET 4 HA MET 4 25.970 -25.822 -21.700 18 HB2 MET 4 HB2 MET 4 27.574 -23.967 -21.405 19 HB3 MET 4 HB3 MET 4 27.337 -24.319 -23.099 20 HG2 MET 4 HG2 MET 4 25.975 -22.030 -21.606 21 HG3 MET 4 HG3 MET 4 27.494 -21.878 -22.465 22 HE1 MET 4 HE1 MET 4 26.967 -23.555 -25.233 23 HE2 MET 4 HE2 MET 4 26.518 -22.150 -26.218 24 HE3 MET 4 HE3 MET 4 27.827 -22.006 -25.025 25 H HIS 5 H HIS 5 26.611 -24.864 -19.477 26 HA HIS 5 HA HIS 5 24.167 -24.203 -18.001 27 HB2 HIS 5 HB2 HIS 5 27.087 -24.344 -17.114 28 HB3 HIS 5 HB3 HIS 5 25.695 -24.252 -16.051 29 HD1 HIS 5 HD1 HIS 5 27.911 -26.749 -17.650 30 HD2 HIS 5 HD2 HIS 5 24.039 -26.517 -16.008 31 HE1 HIS 5 HE1 HIS 5 27.194 -29.145 -17.138 32 H PHE 6 H PHE 6 23.997 -22.183 -16.690 33 HA PHE 6 HA PHE 6 25.894 -20.024 -17.255 34 HB2 PHE 6 HB2 PHE 6 22.933 -19.975 -17.962 35 HB3 PHE 6 HB3 PHE 6 23.852 -18.513 -17.667 36 HD1 PHE 6 HD2 PHE 6 26.334 -18.680 -19.049 37 HD2 PHE 6 HD1 PHE 6 22.491 -20.227 -20.257 38 HE1 PHE 6 HE2 PHE 6 26.959 -18.381 -21.422 39 HE2 PHE 6 HE1 PHE 6 23.124 -19.920 -22.631 40 HZ PHE 6 HZ PHE 6 25.347 -18.987 -23.226 41 H THR 7 H THR 7 25.726 -18.366 -15.700 42 HA THR 7 HA THR 7 24.962 -19.303 -13.088 43 HB THR 7 HB THR 7 25.714 -17.005 -12.381 44 HG1 THR 7 HG1 THR 7 26.340 -16.708 -15.150 45 HG21 THR 7 HG21 THR 7 27.665 -18.453 -14.231 46 HG22 THR 7 HG22 THR 7 27.324 -18.884 -12.545 47 HG23 THR 7 HG23 THR 7 28.075 -17.327 -12.916 48 H ASP 8 H ASP 8 23.561 -17.982 -11.571 49 HA ASP 8 HA ASP 8 21.163 -16.846 -12.917 50 HB2 ASP 8 HB2 ASP 8 19.824 -17.887 -11.086 51 HB3 ASP 8 HB3 ASP 8 20.513 -19.022 -12.246 52 H ASP 9 H ASP 9 19.899 -15.435 -11.516 53 HA ASP 9 HA ASP 9 21.522 -13.945 -9.517 54 HB2 ASP 9 HB2 ASP 9 19.736 -12.909 -11.760 55 HB3 ASP 9 HB3 ASP 9 20.193 -11.944 -10.358 56 H ASN 10 H ASN 10 20.482 -13.832 -7.608 57 HA ASN 10 HA ASN 10 17.742 -14.911 -7.409 58 HB2 ASN 10 HB2 ASN 10 19.846 -14.060 -5.371 59 HB3 ASN 10 HB3 ASN 10 18.184 -14.409 -4.900 60 HD21 ASN 10 HD21 ASN 10 20.915 -15.924 -4.465 61 HD22 ASN 10 HD22 ASN 10 20.415 -17.549 -4.918 62 H GLU 11 H GLU 11 16.127 -13.765 -6.119 63 HA GLU 11 HA GLU 11 16.208 -10.811 -6.313 64 HB2 GLU 11 HB2 GLU 11 13.890 -10.804 -6.973 65 HB3 GLU 11 HB3 GLU 11 14.840 -11.735 -8.135 66 HG2 GLU 11 HG2 GLU 11 14.077 -13.851 -7.060 67 HG3 GLU 11 HG3 GLU 11 13.136 -12.922 -5.906 68 H ASN 12 H ASN 12 14.865 -9.832 -4.570 69 HA ASN 12 HA ASN 12 14.178 -11.705 -2.367 70 HB2 ASN 12 HB2 ASN 12 16.717 -10.596 -2.521 71 HB3 ASN 12 HB3 ASN 12 15.896 -9.371 -1.571 72 HD21 ASN 12 HD21 ASN 12 14.357 -10.519 0.198 73 HD22 ASN 12 HD22 ASN 12 15.074 -11.944 0.988 74 H ASP 13 H ASP 13 12.756 -9.659 -4.173 75 HA ASP 13 HA ASP 13 12.076 -7.535 -2.409 76 HB2 ASP 13 HB2 ASP 13 11.053 -8.276 -5.148 77 HB3 ASP 13 HB3 ASP 13 10.315 -6.983 -4.213 78 H THR 14 H THR 14 9.333 -7.100 -2.487 79 HA THR 14 HA THR 14 8.575 -8.887 -0.345 80 HB THR 14 HB THR 14 7.719 -6.583 -0.304 81 HG1 THR 14 HG1 THR 14 5.432 -7.416 -0.029 82 HG21 THR 14 HG21 THR 14 5.856 -5.840 -1.780 83 HG22 THR 14 HG22 THR 14 6.055 -7.267 -2.782 84 HG23 THR 14 HG23 THR 14 7.347 -6.060 -2.698 85 H SER 15 H SER 15 7.867 -8.627 -3.684 86 HA SER 15 HA SER 15 6.973 -9.948 -5.307 87 HB2 SER 15 HB2 SER 15 7.540 -12.172 -3.337 88 HB3 SER 15 HB3 SER 15 7.227 -12.363 -5.083 89 HG SER 15 HG SER 15 9.445 -12.385 -4.727 90 H GLU 16 H GLU 16 5.116 -8.533 -4.199 91 HA GLU 16 HA GLU 16 2.762 -10.188 -4.151 92 HB2 GLU 16 HB2 GLU 16 1.924 -9.664 -2.052 93 HB3 GLU 16 HB3 GLU 16 3.631 -9.961 -1.710 94 HG2 GLU 16 HG2 GLU 16 3.930 -7.426 -1.772 95 HG3 GLU 16 HG3 GLU 16 2.166 -7.323 -1.768 96 H THR 17 H THR 17 0.813 -8.674 -4.164 97 HA THR 17 HA THR 17 1.486 -6.115 -5.528 98 HB THR 17 HB THR 17 0.723 -8.150 -6.849 99 HG1 THR 17 HG1 THR 17 0.193 -6.935 -8.287 100 HG21 THR 17 HG21 THR 17 -1.645 -8.603 -7.048 101 HG22 THR 17 HG22 THR 17 -2.028 -7.334 -5.882 102 HG23 THR 17 HG23 THR 17 -1.176 -8.797 -5.345 103 H MET 18 H MET 18 -0.464 -4.602 -5.507 104 HA MET 18 HA MET 18 -1.025 -3.846 -2.891 105 HB2 MET 18 HB2 MET 18 -2.451 -3.257 -5.512 106 HB3 MET 18 HB3 MET 18 -3.008 -2.564 -4.004 107 HG2 MET 18 HG2 MET 18 -0.155 -2.134 -4.153 108 HG3 MET 18 HG3 MET 18 -0.890 -1.654 -5.680 109 HE1 MET 18 HE1 MET 18 -2.343 -1.632 -2.037 110 HE2 MET 18 HE2 MET 18 -0.719 -0.959 -1.781 111 HE3 MET 18 HE3 MET 18 -2.149 0.075 -1.583 112 H GLU 19 H GLU 19 -3.008 -5.854 -5.055 113 HA GLU 19 HA GLU 19 -5.340 -5.942 -3.462 114 HB2 GLU 19 HB2 GLU 19 -4.241 -7.872 -5.542 115 HB3 GLU 19 HB3 GLU 19 -5.831 -8.012 -4.798 116 HG2 GLU 19 HG2 GLU 19 -6.311 -5.632 -5.525 117 HG3 GLU 19 HG3 GLU 19 -4.800 -5.655 -6.441 118 H SER 20 H SER 20 -2.428 -8.072 -3.420 119 HA SER 20 HA SER 20 -3.442 -9.964 -1.565 120 HB2 SER 20 HB2 SER 20 -1.402 -10.246 -3.005 121 HB3 SER 20 HB3 SER 20 -0.568 -9.035 -2.030 122 HG SER 20 HG SER 20 -1.425 -11.628 -1.255 123 H LEU 21 H LEU 21 -1.881 -6.823 -1.099 124 HA LEU 21 HA LEU 21 -1.373 -6.989 1.717 125 HB2 LEU 21 HB2 LEU 21 -2.281 -4.496 0.193 126 HB3 LEU 21 HB3 LEU 21 -1.359 -4.605 1.696 127 HG LEU 21 HG LEU 21 -0.469 -5.273 -1.123 128 HD11 LEU 21 HD11 LEU 21 1.319 -3.483 0.116 129 HD12 LEU 21 HD12 LEU 21 -0.335 -2.932 0.573 130 HD13 LEU 21 HD13 LEU 21 0.050 -3.104 -1.090 131 HD21 LEU 21 HD21 LEU 21 0.856 -5.952 1.511 132 HD22 LEU 21 HD22 LEU 21 1.768 -5.756 -0.002 133 HD23 LEU 21 HD23 LEU 21 0.509 -6.991 0.136 134 H ILE 22 H ILE 22 -4.114 -5.577 -0.082 135 HA ILE 22 HA ILE 22 -5.703 -5.101 2.216 136 HB ILE 22 HB ILE 22 -6.567 -5.506 -0.673 137 HG12 ILE 22 HG12 ILE 22 -5.974 -2.847 0.704 138 HG13 ILE 22 HG13 ILE 22 -4.761 -3.688 -0.257 139 HG21 ILE 22 HG21 ILE 22 -8.402 -5.588 0.958 140 HG22 ILE 22 HG22 ILE 22 -7.843 -4.080 1.686 141 HG23 ILE 22 HG23 ILE 22 -8.511 -4.102 0.020 142 HD11 ILE 22 HD11 ILE 22 -7.412 -2.693 -1.328 143 HD12 ILE 22 HD12 ILE 22 -5.786 -2.060 -1.641 144 HD13 ILE 22 HD13 ILE 22 -6.236 -3.679 -2.219 145 H ASP 23 H ASP 23 -5.453 -7.919 0.072 146 HA ASP 23 HA ASP 23 -7.717 -9.348 0.980 147 HB2 ASP 23 HB2 ASP 23 -6.136 -9.822 -1.017 148 HB3 ASP 23 HB3 ASP 23 -5.134 -10.694 0.141 149 H LYS 24 H LYS 24 -4.603 -8.805 2.472 150 HA LYS 24 HA LYS 24 -5.228 -10.762 4.647 151 HB2 LYS 24 HB2 LYS 24 -3.017 -11.154 4.726 152 HB3 LYS 24 HB3 LYS 24 -2.888 -10.307 3.212 153 HG2 LYS 24 HG2 LYS 24 -1.266 -9.198 4.353 154 HG3 LYS 24 HG3 LYS 24 -2.590 -8.149 4.732 155 HD2 LYS 24 HD2 LYS 24 -2.655 -10.198 6.751 156 HD3 LYS 24 HD3 LYS 24 -0.958 -9.775 6.514 157 HE2 LYS 24 HE2 LYS 24 -1.511 -7.381 7.006 158 HE3 LYS 24 HE3 LYS 24 -3.217 -7.803 7.126 159 HZ1 LYS 24 HZ1 LYS 24 -1.065 -8.641 8.956 160 HZ2 LYS 24 HZ2 LYS 24 -2.652 -9.153 9.057 161 HZ3 LYS 24 HZ3 LYS 24 -2.241 -7.563 9.229 162 H GLY 25 H GLY 25 -5.319 -7.378 3.953 163 HA2 GLY 25 HA2 GLY 25 -6.376 -5.796 5.366 164 HA3 GLY 25 HA3 GLY 25 -6.015 -6.819 6.774 165 H LYS 26 H LYS 26 -3.650 -5.782 4.281 166 HA LYS 26 HA LYS 26 -1.940 -4.674 6.485 167 HB2 LYS 26 HB2 LYS 26 -1.495 -5.647 3.680 168 HB3 LYS 26 HB3 LYS 26 -0.458 -4.357 4.290 169 HG2 LYS 26 HG2 LYS 26 0.142 -5.767 6.224 170 HG3 LYS 26 HG3 LYS 26 -0.626 -7.108 5.362 171 HD2 LYS 26 HD2 LYS 26 1.257 -5.698 3.641 172 HD3 LYS 26 HD3 LYS 26 2.042 -6.197 5.112 173 HE2 LYS 26 HE2 LYS 26 0.344 -8.162 3.536 174 HE3 LYS 26 HE3 LYS 26 1.975 -7.784 3.001 175 HZ1 LYS 26 HZ1 LYS 26 2.863 -8.470 5.080 176 HZ2 LYS 26 HZ2 LYS 26 1.929 -9.695 4.527 177 HZ3 LYS 26 HZ3 LYS 26 1.402 -8.691 5.746 178 H LEU 27 H LEU 27 -3.968 -2.991 6.514 179 HA LEU 27 HA LEU 27 -3.897 -0.963 4.432 180 HB2 LEU 27 HB2 LEU 27 -5.052 -0.678 7.224 181 HB3 LEU 27 HB3 LEU 27 -5.287 0.412 5.885 182 HG LEU 27 HG LEU 27 -7.268 -0.711 5.957 183 HD11 LEU 27 HD11 LEU 27 -7.470 -2.030 3.937 184 HD12 LEU 27 HD12 LEU 27 -5.735 -2.393 3.934 185 HD13 LEU 27 HD13 LEU 27 -6.297 -0.730 3.643 186 HD21 LEU 27 HD21 LEU 27 -6.548 -2.464 7.562 187 HD22 LEU 27 HD22 LEU 27 -5.873 -3.389 6.203 188 HD23 LEU 27 HD23 LEU 27 -7.602 -3.068 6.288 189 H ASP 28 H ASP 28 -1.725 -1.582 6.888 190 HA ASP 28 HA ASP 28 -0.948 1.217 7.447 191 HB2 ASP 28 HB2 ASP 28 0.035 -1.516 8.382 192 HB3 ASP 28 HB3 ASP 28 0.833 -0.002 8.825 193 H GLN 29 H GLN 29 -0.312 -1.070 4.978 194 HA GLN 29 HA GLN 29 2.086 0.443 4.247 195 HB2 GLN 29 HB2 GLN 29 2.995 -1.939 3.519 196 HB3 GLN 29 HB3 GLN 29 3.318 -1.277 5.122 197 HG2 GLN 29 HG2 GLN 29 0.867 -2.867 5.150 198 HG3 GLN 29 HG3 GLN 29 2.250 -3.735 4.438 199 HE21 GLN 29 HE21 GLN 29 4.366 -3.413 5.900 200 HE22 GLN 29 HE22 GLN 29 4.017 -3.718 7.588 201 H VAL 30 H VAL 30 2.741 -0.111 1.988 202 HA VAL 30 HA VAL 30 0.540 -1.047 0.215 203 HB VAL 30 HB VAL 30 0.768 0.965 -1.204 204 HG11 VAL 30 HG11 VAL 30 -1.147 0.712 0.357 205 HG12 VAL 30 HG12 VAL 30 -0.273 1.668 1.565 206 HG13 VAL 30 HG13 VAL 30 -0.725 2.397 0.010 207 HG21 VAL 30 HG21 VAL 30 1.901 2.497 1.132 208 HG22 VAL 30 HG22 VAL 30 3.001 1.682 0.008 209 HG23 VAL 30 HG23 VAL 30 1.878 2.854 -0.632 210 H VAL 31 H VAL 31 1.314 -1.363 -2.160 211 HA VAL 31 HA VAL 31 4.173 -1.831 -2.204 212 HB VAL 31 HB VAL 31 2.314 -2.890 -4.307 213 HG11 VAL 31 HG11 VAL 31 4.633 -3.190 -4.768 214 HG12 VAL 31 HG12 VAL 31 4.652 -4.410 -3.444 215 HG13 VAL 31 HG13 VAL 31 3.577 -4.600 -4.833 216 HG21 VAL 31 HG21 VAL 31 1.205 -3.998 -2.556 217 HG22 VAL 31 HG22 VAL 31 2.384 -5.198 -3.027 218 HG23 VAL 31 HG23 VAL 31 2.727 -4.204 -1.619 219 H TYR 32 H TYR 32 5.137 -1.273 -4.324 220 HA TYR 32 HA TYR 32 3.785 0.313 -6.301 221 HB2 TYR 32 HB2 TYR 32 3.901 2.243 -4.849 222 HB3 TYR 32 HB3 TYR 32 5.508 1.783 -4.280 223 HD1 TYR 32 HD1 TYR 32 4.252 2.129 -7.836 224 HD2 TYR 32 HD2 TYR 32 6.991 3.517 -4.845 225 HE1 TYR 32 HE1 TYR 32 5.466 3.446 -9.555 226 HE2 TYR 32 HE2 TYR 32 8.302 4.678 -6.543 227 HH TYR 32 HH TYR 32 8.722 4.152 -8.938 228 H ASP 33 H ASP 33 4.958 -0.102 -8.130 229 HA ASP 33 HA ASP 33 6.561 -0.998 -9.470 230 HB2 ASP 33 HB2 ASP 33 7.327 1.318 -8.650 231 HB3 ASP 33 HB3 ASP 33 8.494 0.478 -7.653 232 H ASP 34 H ASP 34 5.851 -2.716 -7.271 233 HA ASP 34 HA ASP 34 6.287 -4.790 -6.534 234 HB2 ASP 34 HB2 ASP 34 7.701 -4.880 -8.738 235 HB3 ASP 34 HB3 ASP 34 9.090 -4.808 -7.628 236 H GLN 35 H GLN 35 7.056 -2.320 -5.085 237 HA GLN 35 HA GLN 35 9.038 -3.464 -3.184 238 HB2 GLN 35 HB2 GLN 35 8.409 -0.516 -3.583 239 HB3 GLN 35 HB3 GLN 35 9.638 -1.203 -2.566 240 HG2 GLN 35 HG2 GLN 35 9.468 -1.019 -5.618 241 HG3 GLN 35 HG3 GLN 35 10.751 -0.431 -4.592 242 HE21 GLN 35 HE21 GLN 35 11.808 -2.417 -3.222 243 HE22 GLN 35 HE22 GLN 35 12.114 -3.848 -4.224 244 H LEU 36 H LEU 36 8.626 -2.515 -0.880 245 HA LEU 36 HA LEU 36 5.732 -2.227 -0.383 246 HB2 LEU 36 HB2 LEU 36 6.681 -4.613 -0.084 247 HB3 LEU 36 HB3 LEU 36 7.596 -3.974 1.276 248 HG LEU 36 HG LEU 36 5.455 -3.352 2.381 249 HD11 LEU 36 HD11 LEU 36 3.352 -4.354 1.552 250 HD12 LEU 36 HD12 LEU 36 4.184 -4.895 0.077 251 HD13 LEU 36 HD13 LEU 36 3.960 -3.168 0.402 252 HD21 LEU 36 HD21 LEU 36 4.761 -5.764 2.756 253 HD22 LEU 36 HD22 LEU 36 6.509 -5.459 2.945 254 HD23 LEU 36 HD23 LEU 36 5.890 -6.199 1.454 255 H TYR 37 H TYR 37 5.343 -0.637 0.966 256 HA TYR 37 HA TYR 37 7.580 0.431 2.617 257 HB2 TYR 37 HB2 TYR 37 5.473 2.238 1.465 258 HB3 TYR 37 HB3 TYR 37 7.014 2.667 2.188 259 HD1 TYR 37 HD1 TYR 37 8.962 1.039 0.654 260 HD2 TYR 37 HD2 TYR 37 5.451 3.159 -0.619 261 HE1 TYR 37 HE1 TYR 37 10.010 1.371 -1.573 262 HE2 TYR 37 HE2 TYR 37 6.447 3.487 -2.836 263 HH TYR 37 HH TYR 37 9.717 2.211 -3.747 264 H HIS 38 H HIS 38 7.075 1.068 4.688 265 HA HIS 38 HA HIS 38 4.369 0.398 5.694 266 HB2 HIS 38 HB2 HIS 38 6.958 -0.100 6.663 267 HB3 HIS 38 HB3 HIS 38 6.403 1.201 7.668 268 HD1 HIS 38 HD1 HIS 38 6.939 -1.777 8.772 269 HD2 HIS 38 HD2 HIS 38 3.202 -0.206 7.543 270 HE1 HIS 38 HE1 HIS 38 5.188 -2.971 10.128 271 H LEU 39 H LEU 39 2.999 1.982 6.200 272 HA LEU 39 HA LEU 39 3.736 4.791 5.844 273 HB2 LEU 39 HB2 LEU 39 1.226 3.580 7.094 274 HB3 LEU 39 HB3 LEU 39 1.422 5.238 6.569 275 HG LEU 39 HG LEU 39 1.278 2.739 4.833 276 HD11 LEU 39 HD11 LEU 39 -0.685 3.883 3.899 277 HD12 LEU 39 HD12 LEU 39 -0.353 5.309 4.919 278 HD13 LEU 39 HD13 LEU 39 -0.832 3.751 5.663 279 HD21 LEU 39 HD21 LEU 39 1.434 4.304 2.855 280 HD22 LEU 39 HD22 LEU 39 2.940 4.040 3.728 281 HD23 LEU 39 HD23 LEU 39 2.042 5.557 3.964 282 H LYS 40 H LYS 40 4.244 6.268 7.436 283 HA LYS 40 HA LYS 40 4.531 5.194 10.226 284 HB2 LYS 40 HB2 LYS 40 6.107 7.457 8.976 285 HB3 LYS 40 HB3 LYS 40 6.398 6.637 10.504 286 HG2 LYS 40 HG2 LYS 40 6.637 5.467 7.713 287 HG3 LYS 40 HG3 LYS 40 7.961 6.026 8.702 288 HD2 LYS 40 HD2 LYS 40 6.210 3.721 9.676 289 HD3 LYS 40 HD3 LYS 40 7.495 3.465 8.500 290 HE2 LYS 40 HE2 LYS 40 9.060 4.704 10.071 291 HE3 LYS 40 HE3 LYS 40 7.797 4.582 11.312 292 HZ1 LYS 40 HZ1 LYS 40 9.385 2.403 10.095 293 HZ2 LYS 40 HZ2 LYS 40 7.988 2.091 10.903 294 HZ3 LYS 40 HZ3 LYS 40 9.240 2.830 11.657 295 H GLU 41 H GLU 41 4.075 8.332 8.533 296 HA GLU 41 HA GLU 41 1.967 9.037 10.432 297 HB2 GLU 41 HB2 GLU 41 2.984 11.081 11.223 298 HB3 GLU 41 HB3 GLU 41 3.939 9.680 11.640 299 HG2 GLU 41 HG2 GLU 41 5.344 10.415 9.427 300 HG3 GLU 41 HG3 GLU 41 4.535 11.958 9.804 301 H LYS 42 H LYS 42 1.487 11.670 9.697 302 HA LYS 42 HA LYS 42 0.862 11.420 6.807 303 HB2 LYS 42 HB2 LYS 42 -0.872 11.527 8.822 304 HB3 LYS 42 HB3 LYS 42 -0.532 13.240 8.797 305 HG2 LYS 42 HG2 LYS 42 -1.387 11.717 6.303 306 HG3 LYS 42 HG3 LYS 42 -2.577 12.228 7.487 307 HD2 LYS 42 HD2 LYS 42 -0.633 14.118 6.216 308 HD3 LYS 42 HD3 LYS 42 -2.171 13.756 5.466 309 HE2 LYS 42 HE2 LYS 42 -2.341 14.497 8.336 310 HE3 LYS 42 HE3 LYS 42 -1.608 15.746 7.322 311 HZ1 LYS 42 HZ1 LYS 42 -4.250 14.507 6.847 312 HZ2 LYS 42 HZ2 LYS 42 -3.552 15.710 5.935 313 HZ3 LYS 42 HZ3 LYS 42 -3.968 16.011 7.481 314 H VAL 43 H VAL 43 1.225 13.376 5.483 315 HA VAL 43 HA VAL 43 2.842 15.560 6.691 316 HB VAL 43 HB VAL 43 4.162 15.681 4.602 317 HG11 VAL 43 HG11 VAL 43 4.964 14.323 6.714 318 HG12 VAL 43 HG12 VAL 43 4.918 12.997 5.515 319 HG13 VAL 43 HG13 VAL 43 5.901 14.402 5.212 320 HG21 VAL 43 HG21 VAL 43 2.991 12.961 3.935 321 HG22 VAL 43 HG22 VAL 43 2.824 14.499 3.025 322 HG23 VAL 43 HG23 VAL 43 4.391 13.708 3.164 323 H ASP 44 H ASP 44 2.926 17.428 5.061 324 HA ASP 44 HA ASP 44 0.212 17.816 3.955 325 HB2 ASP 44 HB2 ASP 44 1.549 19.434 5.640 326 HB3 ASP 44 HB3 ASP 44 2.202 20.042 4.107 327 H GLU 45 H GLU 45 0.255 19.260 1.842 328 HA GLU 45 HA GLU 45 1.815 17.768 -0.104 329 HB2 GLU 45 HB2 GLU 45 0.763 18.940 -1.788 330 HB3 GLU 45 HB3 GLU 45 -0.481 18.594 -0.591 331 HG2 GLU 45 HG2 GLU 45 -0.770 20.858 -0.067 332 HG3 GLU 45 HG3 GLU 45 0.870 21.307 -0.506 333 H ASP 46 H ASP 46 2.554 20.376 1.852 334 HA ASP 46 HA ASP 46 4.395 21.801 0.074 335 HB2 ASP 46 HB2 ASP 46 3.441 21.982 2.939 336 HB3 ASP 46 HB3 ASP 46 5.015 22.665 2.566 337 H LYS 47 H LYS 47 4.475 18.886 1.894 338 HA LYS 47 HA LYS 47 7.363 19.129 2.521 339 HB2 LYS 47 HB2 LYS 47 5.660 16.700 3.081 340 HB3 LYS 47 HB3 LYS 47 7.090 17.264 3.926 341 HG2 LYS 47 HG2 LYS 47 4.272 18.393 4.049 342 HG3 LYS 47 HG3 LYS 47 5.132 17.620 5.332 343 HD2 LYS 47 HD2 LYS 47 6.837 19.684 4.980 344 HD3 LYS 47 HD3 LYS 47 5.416 20.396 4.212 345 HE2 LYS 47 HE2 LYS 47 5.245 21.143 6.382 346 HE3 LYS 47 HE3 LYS 47 4.105 19.791 6.335 347 HZ1 LYS 47 HZ1 LYS 47 6.878 19.682 7.366 348 HZ2 LYS 47 HZ2 LYS 47 5.779 18.434 7.454 349 HZ3 LYS 47 HZ3 LYS 47 5.540 19.823 8.295 350 H LYS 48 H LYS 48 5.285 17.589 0.165 351 HA LYS 48 HA LYS 48 6.963 15.450 -0.588 352 HB2 LYS 48 HB2 LYS 48 5.709 15.383 -2.645 353 HB3 LYS 48 HB3 LYS 48 4.598 15.815 -1.344 354 HG2 LYS 48 HG2 LYS 48 5.020 18.256 -2.053 355 HG3 LYS 48 HG3 LYS 48 5.849 17.600 -3.450 356 HD2 LYS 48 HD2 LYS 48 3.880 16.554 -4.297 357 HD3 LYS 48 HD3 LYS 48 2.976 16.868 -2.816 358 HE2 LYS 48 HE2 LYS 48 2.534 18.336 -4.871 359 HE3 LYS 48 HE3 LYS 48 2.705 19.136 -3.294 360 HZ1 LYS 48 HZ1 LYS 48 4.949 19.744 -3.875 361 HZ2 LYS 48 HZ2 LYS 48 3.910 20.281 -5.036 362 HZ3 LYS 48 HZ3 LYS 48 4.847 18.985 -5.324 363 H GLY 49 H GLY 49 8.720 15.191 -1.885 364 HA2 GLY 49 HA2 GLY 49 10.283 17.589 -2.521 365 HA3 GLY 49 HA3 GLY 49 10.797 15.894 -2.594 366 H LYS 50 H LYS 50 8.913 14.792 -4.299 367 HA LYS 50 HA LYS 50 8.394 16.243 -6.684 368 HB2 LYS 50 HB2 LYS 50 10.054 15.001 -8.145 369 HB3 LYS 50 HB3 LYS 50 10.694 16.299 -7.150 370 HG2 LYS 50 HG2 LYS 50 11.362 14.424 -5.455 371 HG3 LYS 50 HG3 LYS 50 11.109 13.304 -6.791 372 HD2 LYS 50 HD2 LYS 50 12.928 15.746 -6.859 373 HD3 LYS 50 HD3 LYS 50 13.458 14.165 -6.276 374 HE2 LYS 50 HE2 LYS 50 12.886 13.204 -8.522 375 HE3 LYS 50 HE3 LYS 50 12.576 14.852 -9.104 376 HZ1 LYS 50 HZ1 LYS 50 14.825 14.069 -9.591 377 HZ2 LYS 50 HZ2 LYS 50 15.163 13.844 -8.027 378 HZ3 LYS 50 HZ3 LYS 50 14.922 15.368 -8.574 379 H VAL 51 H VAL 51 7.136 14.863 -8.128 380 HA VAL 51 HA VAL 51 5.951 12.516 -6.874 381 HB VAL 51 HB VAL 51 5.672 14.012 -9.470 382 HG11 VAL 51 HG11 VAL 51 5.620 11.664 -10.258 383 HG12 VAL 51 HG12 VAL 51 4.397 11.289 -9.017 384 HG13 VAL 51 HG13 VAL 51 4.036 12.422 -10.339 385 HG21 VAL 51 HG21 VAL 51 3.335 14.157 -8.788 386 HG22 VAL 51 HG22 VAL 51 3.669 13.107 -7.396 387 HG23 VAL 51 HG23 VAL 51 4.408 14.726 -7.501 388 H ILE 52 H ILE 52 6.362 10.356 -7.354 389 HA ILE 52 HA ILE 52 8.696 9.791 -9.148 390 HB ILE 52 HB ILE 52 9.476 8.082 -7.592 391 HG12 ILE 52 HG12 ILE 52 7.535 9.269 -5.560 392 HG13 ILE 52 HG13 ILE 52 7.340 7.700 -6.359 393 HG21 ILE 52 HG21 ILE 52 10.495 10.334 -7.654 394 HG22 ILE 52 HG22 ILE 52 9.434 10.846 -6.319 395 HG23 ILE 52 HG23 ILE 52 10.652 9.569 -6.086 396 HD11 ILE 52 HD11 ILE 52 8.249 7.258 -4.233 397 HD12 ILE 52 HD12 ILE 52 9.557 6.996 -5.393 398 HD13 ILE 52 HD13 ILE 52 9.519 8.484 -4.408 399 H GLY 53 H GLY 53 5.502 8.806 -7.953 400 HA2 GLY 53 HA2 GLY 53 5.134 7.086 -10.216 401 HA3 GLY 53 HA3 GLY 53 5.311 6.187 -8.692 402 H ALA 54 H ALA 54 2.855 5.817 -9.549 403 HA ALA 54 HA ALA 54 1.246 7.549 -7.836 404 HB1 ALA 54 HB1 ALA 54 -0.414 8.017 -9.600 405 HB2 ALA 54 HB2 ALA 54 1.185 8.597 -10.148 406 HB3 ALA 54 HB3 ALA 54 0.535 7.091 -10.776 407 H ILE 55 H ILE 55 0.054 6.095 -6.498 408 HA ILE 55 HA ILE 55 -0.164 3.364 -7.372 409 HB ILE 55 HB ILE 55 -1.580 4.819 -5.099 410 HG12 ILE 55 HG12 ILE 55 0.742 2.821 -5.108 411 HG13 ILE 55 HG13 ILE 55 0.876 4.560 -4.822 412 HG21 ILE 55 HG21 ILE 55 -1.558 1.882 -5.864 413 HG22 ILE 55 HG22 ILE 55 -2.198 2.552 -4.349 414 HG23 ILE 55 HG23 ILE 55 -2.948 3.003 -5.867 415 HD11 ILE 55 HD11 ILE 55 0.981 3.550 -2.703 416 HD12 ILE 55 HD12 ILE 55 -0.659 4.234 -2.812 417 HD13 ILE 55 HD13 ILE 55 -0.387 2.485 -3.021 418 H GLY 56 H GLY 56 -2.590 6.015 -7.035 419 HA2 GLY 56 HA2 GLY 56 -4.624 6.331 -8.026 420 HA3 GLY 56 HA3 GLY 56 -3.746 5.934 -9.509 421 H GLN 57 H GLN 57 -4.899 4.013 -6.687 422 HA GLN 57 HA GLN 57 -6.426 2.235 -8.500 423 HB2 GLN 57 HB2 GLN 57 -4.755 1.346 -6.097 424 HB3 GLN 57 HB3 GLN 57 -5.855 0.350 -7.040 425 HG2 GLN 57 HG2 GLN 57 -4.254 1.204 -9.037 426 HG3 GLN 57 HG3 GLN 57 -3.095 1.233 -7.708 427 HE21 GLN 57 HE21 GLN 57 -2.188 -0.851 -7.046 428 HE22 GLN 57 HE22 GLN 57 -2.762 -2.330 -7.747 429 H THR 58 H THR 58 -8.216 1.171 -7.344 430 HA THR 58 HA THR 58 -8.958 2.286 -4.740 431 HB THR 58 HB THR 58 -10.893 2.287 -7.070 432 HG1 THR 58 HG1 THR 58 -10.413 4.353 -7.440 433 HG21 THR 58 HG21 THR 58 -11.949 2.205 -4.848 434 HG22 THR 58 HG22 THR 58 -12.215 3.791 -5.608 435 HG23 THR 58 HG23 THR 58 -10.993 3.610 -4.318 436 H PHE 59 H PHE 59 -9.966 0.696 -3.483 437 HA PHE 59 HA PHE 59 -11.164 -1.654 -4.747 438 HB2 PHE 59 HB2 PHE 59 -8.927 -1.761 -2.697 439 HB3 PHE 59 HB3 PHE 59 -9.926 -3.143 -3.061 440 HD1 PHE 59 HD1 PHE 59 -10.081 -3.594 -5.836 441 HD2 PHE 59 HD2 PHE 59 -6.844 -1.883 -3.621 442 HE1 PHE 59 HE1 PHE 59 -8.529 -4.060 -7.717 443 HE2 PHE 59 HE2 PHE 59 -5.317 -2.177 -5.521 444 HZ PHE 59 HZ PHE 59 -6.165 -3.322 -7.610 445 H PHE 60 H PHE 60 -12.243 -3.015 -2.784 446 HA PHE 60 HA PHE 60 -13.033 -1.191 -0.575 447 HB2 PHE 60 HB2 PHE 60 -14.959 -2.873 -2.214 448 HB3 PHE 60 HB3 PHE 60 -15.330 -1.915 -0.786 449 HD1 PHE 60 HD1 PHE 60 -14.420 -1.770 -4.367 450 HD2 PHE 60 HD2 PHE 60 -15.725 0.493 -0.930 451 HE1 PHE 60 HE1 PHE 60 -14.909 0.160 -5.811 452 HE2 PHE 60 HE2 PHE 60 -16.373 2.368 -2.397 453 HZ PHE 60 HZ PHE 60 -15.970 2.200 -4.877 454 H VAL 61 H VAL 61 -13.723 -2.366 1.482 455 HA VAL 61 HA VAL 61 -13.597 -5.293 1.353 456 HB VAL 61 HB VAL 61 -12.198 -5.282 3.380 457 HG11 VAL 61 HG11 VAL 61 -11.177 -5.672 1.180 458 HG12 VAL 61 HG12 VAL 61 -10.797 -3.941 1.049 459 HG13 VAL 61 HG13 VAL 61 -10.087 -4.931 2.356 460 HG21 VAL 61 HG21 VAL 61 -11.928 -2.309 2.783 461 HG22 VAL 61 HG22 VAL 61 -12.587 -3.104 4.241 462 HG23 VAL 61 HG23 VAL 61 -10.861 -3.208 3.860 463 H ASP 62 H ASP 62 -14.581 -6.279 3.312 464 HA ASP 62 HA ASP 62 -16.744 -4.616 4.397 465 HB2 ASP 62 HB2 ASP 62 -16.700 -7.258 5.581 466 HB3 ASP 62 HB3 ASP 62 -17.902 -6.565 4.489 467 H GLY 63 H GLY 63 -17.141 -5.297 6.893 468 HA2 GLY 63 HA2 GLY 63 -15.108 -4.041 8.404 469 HA3 GLY 63 HA3 GLY 63 -16.469 -4.958 9.051 470 H ASP 64 H ASP 64 -15.484 -7.377 7.406 471 HA ASP 64 HA ASP 64 -13.803 -8.550 9.476 472 HB2 ASP 64 HB2 ASP 64 -15.699 -9.727 8.268 473 HB3 ASP 64 HB3 ASP 64 -14.683 -9.743 6.816 474 H GLY 65 H GLY 65 -13.364 -7.002 6.407 475 HA2 GLY 65 HA2 GLY 65 -11.452 -6.259 5.447 476 HA3 GLY 65 HA3 GLY 65 -10.454 -7.176 6.595 477 H LYS 66 H LYS 66 -12.932 -7.851 4.028 478 HA LYS 66 HA LYS 66 -11.125 -9.835 2.793 479 HB2 LYS 66 HB2 LYS 66 -13.871 -10.074 3.898 480 HB3 LYS 66 HB3 LYS 66 -13.766 -10.584 2.200 481 HG2 LYS 66 HG2 LYS 66 -11.947 -11.564 4.451 482 HG3 LYS 66 HG3 LYS 66 -13.432 -12.386 3.937 483 HD2 LYS 66 HD2 LYS 66 -12.491 -12.580 1.617 484 HD3 LYS 66 HD3 LYS 66 -10.964 -11.894 2.225 485 HE2 LYS 66 HE2 LYS 66 -10.820 -13.758 3.866 486 HE3 LYS 66 HE3 LYS 66 -12.273 -14.477 3.154 487 HZ1 LYS 66 HZ1 LYS 66 -9.713 -13.957 1.781 488 HZ2 LYS 66 HZ2 LYS 66 -11.029 -14.500 1.009 489 HZ3 LYS 66 HZ3 LYS 66 -10.275 -15.435 2.141 490 H ARG 67 H ARG 67 -11.067 -9.616 0.460 491 HA ARG 67 HA ARG 67 -11.690 -6.964 -0.474 492 HB2 ARG 67 HB2 ARG 67 -10.098 -9.368 -1.271 493 HB3 ARG 67 HB3 ARG 67 -10.792 -8.526 -2.626 494 HG2 ARG 67 HG2 ARG 67 -9.247 -7.101 -0.420 495 HG3 ARG 67 HG3 ARG 67 -8.451 -7.760 -1.839 496 HD2 ARG 67 HD2 ARG 67 -10.440 -5.484 -1.703 497 HD3 ARG 67 HD3 ARG 67 -8.773 -5.448 -2.282 498 HE ARG 67 HE ARG 67 -11.126 -5.966 -3.764 499 HH11 ARG 67 HH11 ARG 67 -8.064 -7.840 -3.591 500 HH12 ARG 67 HH12 ARG 67 -7.841 -7.696 -5.303 501 HH21 ARG 67 HH21 ARG 67 -10.816 -6.326 -6.154 502 HH22 ARG 67 HH22 ARG 67 -9.263 -6.982 -6.637 503 H TRP 68 H TRP 68 -13.644 -6.425 -1.101 504 HA TRP 68 HA TRP 68 -15.690 -8.211 -1.758 505 HB2 TRP 68 HB2 TRP 68 -15.309 -5.274 -2.324 506 HB3 TRP 68 HB3 TRP 68 -16.647 -6.137 -3.048 507 HD1 TRP 68 HD1 TRP 68 -15.356 -5.637 0.567 508 HE1 TRP 68 HE1 TRP 68 -17.362 -5.507 2.138 509 HE3 TRP 68 HE3 TRP 68 -19.083 -6.542 -2.808 510 HZ2 TRP 68 HZ2 TRP 68 -20.214 -5.732 1.965 511 HZ3 TRP 68 HZ3 TRP 68 -21.448 -6.572 -2.080 512 HH2 TRP 68 HH2 TRP 68 -22.031 -6.185 0.305 513 H SER 69 H SER 69 -16.401 -9.245 -3.576 514 HA SER 69 HA SER 69 -14.622 -9.226 -5.928 515 HB2 SER 69 HB2 SER 69 -15.399 -11.357 -4.836 516 HB3 SER 69 HB3 SER 69 -17.057 -10.933 -5.333 517 HG SER 69 HG SER 69 -15.960 -12.305 -6.821 518 H GLU 70 H GLU 70 -15.395 -8.758 -8.054 519 HA GLU 70 HA GLU 70 -17.180 -6.607 -8.352 520 HB2 GLU 70 HB2 GLU 70 -16.130 -8.648 -10.334 521 HB3 GLU 70 HB3 GLU 70 -17.147 -7.270 -10.795 522 HG2 GLU 70 HG2 GLU 70 -15.506 -5.698 -9.818 523 HG3 GLU 70 HG3 GLU 70 -14.469 -7.059 -9.352 524 H GLU 71 H GLU 71 -17.805 -10.068 -8.414 525 HA GLU 71 HA GLU 71 -20.325 -10.069 -9.670 526 HB2 GLU 71 HB2 GLU 71 -19.208 -11.937 -7.533 527 HB3 GLU 71 HB3 GLU 71 -20.608 -12.265 -8.571 528 HG2 GLU 71 HG2 GLU 71 -19.154 -12.003 -10.593 529 HG3 GLU 71 HG3 GLU 71 -17.763 -11.755 -9.530 530 H GLU 72 H GLU 72 -19.384 -9.573 -6.297 531 HA GLU 72 HA GLU 72 -22.134 -9.238 -5.316 532 HB2 GLU 72 HB2 GLU 72 -19.354 -8.945 -4.106 533 HB3 GLU 72 HB3 GLU 72 -20.809 -8.546 -3.214 534 HG2 GLU 72 HG2 GLU 72 -21.362 -10.683 -2.809 535 HG3 GLU 72 HG3 GLU 72 -21.153 -11.147 -4.495 536 H LEU 73 H LEU 73 -19.440 -7.179 -6.317 537 HA LEU 73 HA LEU 73 -20.499 -4.749 -5.245 538 HB2 LEU 73 HB2 LEU 73 -18.548 -5.224 -7.522 539 HB3 LEU 73 HB3 LEU 73 -18.896 -3.636 -6.864 540 HG LEU 73 HG LEU 73 -17.815 -5.926 -5.161 541 HD11 LEU 73 HD11 LEU 73 -15.673 -4.763 -5.220 542 HD12 LEU 73 HD12 LEU 73 -16.372 -3.546 -6.314 543 HD13 LEU 73 HD13 LEU 73 -16.163 -5.220 -6.856 544 HD21 LEU 73 HD21 LEU 73 -18.984 -4.468 -3.748 545 HD22 LEU 73 HD22 LEU 73 -18.368 -3.037 -4.580 546 HD23 LEU 73 HD23 LEU 73 -17.269 -4.055 -3.623 547 H LYS 74 H LYS 74 -21.441 -6.429 -8.144 548 HA LYS 74 HA LYS 74 -22.662 -3.984 -9.272 549 HB2 LYS 74 HB2 LYS 74 -23.343 -5.311 -11.114 550 HB3 LYS 74 HB3 LYS 74 -21.687 -5.746 -10.699 551 HG2 LYS 74 HG2 LYS 74 -23.039 -7.604 -9.207 552 HG3 LYS 74 HG3 LYS 74 -24.223 -7.325 -10.490 553 HD2 LYS 74 HD2 LYS 74 -22.469 -7.839 -12.186 554 HD3 LYS 74 HD3 LYS 74 -21.288 -8.040 -10.883 555 HE2 LYS 74 HE2 LYS 74 -22.133 -10.201 -11.794 556 HE3 LYS 74 HE3 LYS 74 -22.355 -10.012 -10.057 557 HZ1 LYS 74 HZ1 LYS 74 -24.634 -9.520 -10.386 558 HZ2 LYS 74 HZ2 LYS 74 -24.266 -10.933 -11.095 559 HZ3 LYS 74 HZ3 LYS 74 -24.485 -9.572 -12.034 560 H GLU 75 H GLU 75 -23.520 -6.178 -6.795 561 HA GLU 75 HA GLU 75 -26.350 -6.348 -7.212 562 HB2 GLU 75 HB2 GLU 75 -24.713 -6.455 -4.654 563 HB3 GLU 75 HB3 GLU 75 -26.368 -6.949 -4.768 564 HG2 GLU 75 HG2 GLU 75 -25.792 -8.628 -6.492 565 HG3 GLU 75 HG3 GLU 75 -24.087 -8.336 -6.198 566 HA PRO 76 HA PRO 76 -27.582 -2.314 -5.922 567 HB2 PRO 76 HB2 PRO 76 -29.996 -2.593 -4.721 568 HB3 PRO 76 HB3 PRO 76 -29.733 -3.027 -6.436 569 HG2 PRO 76 HG2 PRO 76 -29.748 -4.846 -4.027 570 HG3 PRO 76 HG3 PRO 76 -30.586 -5.099 -5.578 571 HD2 PRO 76 HD2 PRO 76 -28.178 -6.186 -4.894 572 HD3 PRO 76 HD3 PRO 76 -28.559 -5.860 -6.597 573 H TYR 77 H TYR 77 -28.123 -0.880 -4.052 574 HA TYR 77 HA TYR 77 -26.417 -1.558 -1.774 575 HB2 TYR 77 HB2 TYR 77 -26.597 0.760 -2.818 576 HB3 TYR 77 HB3 TYR 77 -28.199 0.904 -2.145 577 HD1 TYR 77 HD1 TYR 77 -24.584 0.484 -1.317 578 HD2 TYR 77 HD2 TYR 77 -28.518 1.240 0.290 579 HE1 TYR 77 HE1 TYR 77 -23.594 1.033 0.882 580 HE2 TYR 77 HE2 TYR 77 -27.536 1.766 2.469 581 HH TYR 77 HH TYR 77 -24.435 0.879 3.275 582 H ILE 78 H ILE 78 -29.861 -0.700 -2.235 583 HA ILE 78 HA ILE 78 -30.504 -1.687 0.467 584 HB ILE 78 HB ILE 78 -32.732 -0.777 0.067 585 HG12 ILE 78 HG12 ILE 78 -31.688 0.333 -2.582 586 HG13 ILE 78 HG13 ILE 78 -32.844 -0.994 -2.417 587 HG21 ILE 78 HG21 ILE 78 -30.825 0.562 1.055 588 HG22 ILE 78 HG22 ILE 78 -30.636 1.343 -0.536 589 HG23 ILE 78 HG23 ILE 78 -32.137 1.530 0.386 590 HD11 ILE 78 HD11 ILE 78 -34.411 0.519 -1.222 591 HD12 ILE 78 HD12 ILE 78 -33.312 1.881 -1.576 592 HD13 ILE 78 HD13 ILE 78 -34.078 0.991 -2.902 593 H SER 79 H SER 79 -31.635 -3.494 0.810 594 HA SER 79 HA SER 79 -32.887 -5.069 -1.290 595 HB2 SER 79 HB2 SER 79 -30.514 -6.056 0.380 596 HB3 SER 79 HB3 SER 79 -31.525 -7.071 -0.663 597 HG SER 79 HG SER 79 -30.811 -5.926 -2.437 598 H ASN 80 H ASN 80 -34.157 -6.819 -0.202 599 HA ASN 80 HA ASN 80 -34.953 -6.020 2.534 600 HB2 ASN 80 HB2 ASN 80 -36.872 -7.440 2.228 601 HB3 ASN 80 HB3 ASN 80 -36.696 -6.403 0.811 602 HD21 ASN 80 HD21 ASN 80 -35.932 -9.704 2.013 603 HD22 ASN 80 HD22 ASN 80 -35.851 -10.421 0.445 604 H ASN 81 H ASN 81 -32.414 -7.642 1.608 605 HA ASN 81 HA ASN 81 -32.577 -9.878 3.578 606 HB2 ASN 81 HB2 ASN 81 -31.228 -9.575 0.893 607 HB3 ASN 81 HB3 ASN 81 -30.590 -10.669 2.093 608 HD21 ASN 81 HD21 ASN 81 -31.066 -12.734 1.318 609 HD22 ASN 81 HD22 ASN 81 -32.698 -13.203 0.883 610 HA PRO 82 HA PRO 82 -29.536 -6.548 4.875 611 HB2 PRO 82 HB2 PRO 82 -30.236 -6.321 7.517 612 HB3 PRO 82 HB3 PRO 82 -31.079 -5.463 6.187 613 HG2 PRO 82 HG2 PRO 82 -31.863 -8.090 7.502 614 HG3 PRO 82 HG3 PRO 82 -32.896 -6.655 7.198 615 HD2 PRO 82 HD2 PRO 82 -32.887 -8.767 5.481 616 HD3 PRO 82 HD3 PRO 82 -32.971 -7.092 4.866 617 H ASP 83 H ASP 83 -30.071 -9.824 5.872 618 HA ASP 83 HA ASP 83 -27.723 -9.920 7.672 619 HB2 ASP 83 HB2 ASP 83 -29.926 -11.158 8.024 620 HB3 ASP 83 HB3 ASP 83 -29.479 -12.199 6.680 621 H GLU 84 H GLU 84 -28.550 -10.554 4.337 622 HA GLU 84 HA GLU 84 -26.285 -12.295 3.807 623 HB2 GLU 84 HB2 GLU 84 -28.085 -10.857 1.840 624 HB3 GLU 84 HB3 GLU 84 -27.065 -12.263 1.527 625 HG2 GLU 84 HG2 GLU 84 -29.555 -12.153 3.298 626 HG3 GLU 84 HG3 GLU 84 -29.419 -12.892 1.709 627 H ILE 85 H ILE 85 -26.924 -8.823 3.631 628 HA ILE 85 HA ILE 85 -24.466 -8.280 2.100 629 HB ILE 85 HB ILE 85 -25.232 -5.952 2.150 630 HG12 ILE 85 HG12 ILE 85 -27.622 -6.925 3.782 631 HG13 ILE 85 HG13 ILE 85 -26.290 -5.963 4.424 632 HG21 ILE 85 HG21 ILE 85 -27.558 -7.777 1.400 633 HG22 ILE 85 HG22 ILE 85 -27.116 -6.214 0.675 634 HG23 ILE 85 HG23 ILE 85 -26.066 -7.615 0.457 635 HD11 ILE 85 HD11 ILE 85 -28.140 -4.495 3.989 636 HD12 ILE 85 HD12 ILE 85 -26.855 -4.137 2.819 637 HD13 ILE 85 HD13 ILE 85 -28.293 -5.062 2.319 638 H ARG 86 H ARG 86 -23.039 -6.413 2.931 639 HA ARG 86 HA ARG 86 -22.831 -6.154 5.806 640 HB2 ARG 86 HB2 ARG 86 -21.478 -8.286 4.819 641 HB3 ARG 86 HB3 ARG 86 -20.276 -7.046 4.458 642 HG2 ARG 86 HG2 ARG 86 -20.312 -6.366 6.885 643 HG3 ARG 86 HG3 ARG 86 -21.562 -7.582 7.171 644 HD2 ARG 86 HD2 ARG 86 -19.890 -9.341 6.398 645 HD3 ARG 86 HD3 ARG 86 -18.668 -8.088 6.365 646 HE ARG 86 HE ARG 86 -18.554 -8.145 8.704 647 HH11 ARG 86 HH11 ARG 86 -21.348 -10.149 7.718 648 HH12 ARG 86 HH12 ARG 86 -21.811 -10.484 9.318 649 HH21 ARG 86 HH21 ARG 86 -19.145 -8.591 10.748 650 HH22 ARG 86 HH22 ARG 86 -20.665 -9.390 11.114 651 H GLU 87 H GLU 87 -20.858 -4.641 6.261 652 HA GLU 87 HA GLU 87 -21.242 -2.261 4.823 653 HB2 GLU 87 HB2 GLU 87 -19.481 -1.317 6.219 654 HB3 GLU 87 HB3 GLU 87 -20.560 -2.335 7.171 655 HG2 GLU 87 HG2 GLU 87 -18.864 -4.211 6.859 656 HG3 GLU 87 HG3 GLU 87 -17.748 -2.978 6.252 657 H LYS 88 H LYS 88 -19.540 -0.911 3.712 658 HA LYS 88 HA LYS 88 -17.453 -2.505 2.373 659 HB2 LYS 88 HB2 LYS 88 -19.541 -2.608 1.026 660 HB3 LYS 88 HB3 LYS 88 -19.492 -0.843 0.834 661 HG2 LYS 88 HG2 LYS 88 -17.328 -0.984 -0.276 662 HG3 LYS 88 HG3 LYS 88 -17.181 -2.702 0.160 663 HD2 LYS 88 HD2 LYS 88 -17.698 -2.697 -2.077 664 HD3 LYS 88 HD3 LYS 88 -19.189 -3.175 -1.251 665 HE2 LYS 88 HE2 LYS 88 -20.158 -1.659 -2.620 666 HE3 LYS 88 HE3 LYS 88 -19.590 -0.488 -1.431 667 HZ1 LYS 88 HZ1 LYS 88 -17.572 -0.251 -2.908 668 HZ2 LYS 88 HZ2 LYS 88 -18.995 0.286 -3.506 669 HZ3 LYS 88 HZ3 LYS 88 -18.378 -1.109 -4.066 670 H LYS 89 H LYS 89 -15.682 -1.446 3.133 671 HA LYS 89 HA LYS 89 -15.519 1.403 3.535 672 HB2 LYS 89 HB2 LYS 89 -13.540 -0.877 3.799 673 HB3 LYS 89 HB3 LYS 89 -13.193 0.805 4.232 674 HG2 LYS 89 HG2 LYS 89 -14.867 0.816 5.936 675 HG3 LYS 89 HG3 LYS 89 -15.521 -0.748 5.406 676 HD2 LYS 89 HD2 LYS 89 -13.167 -1.701 5.895 677 HD3 LYS 89 HD3 LYS 89 -12.888 -0.211 6.829 678 HE2 LYS 89 HE2 LYS 89 -15.310 -2.040 7.046 679 HE3 LYS 89 HE3 LYS 89 -13.880 -2.206 8.094 680 HZ1 LYS 89 HZ1 LYS 89 -15.510 0.274 7.927 681 HZ2 LYS 89 HZ2 LYS 89 -14.284 -0.046 8.986 682 HZ3 LYS 89 HZ3 LYS 89 -15.721 -0.889 9.047 683 HA PRO 90 HA PRO 90 -13.675 1.662 -0.653 684 HB2 PRO 90 HB2 PRO 90 -13.685 4.336 -0.908 685 HB3 PRO 90 HB3 PRO 90 -15.206 3.395 -0.960 686 HG2 PRO 90 HG2 PRO 90 -14.085 4.936 1.360 687 HG3 PRO 90 HG3 PRO 90 -15.766 4.907 0.755 688 HD2 PRO 90 HD2 PRO 90 -14.894 3.291 2.871 689 HD3 PRO 90 HD3 PRO 90 -16.201 2.857 1.747 690 H LEU 91 H LEU 91 -11.546 1.388 -0.947 691 HA LEU 91 HA LEU 91 -9.543 2.853 0.705 692 HB2 LEU 91 HB2 LEU 91 -9.173 0.390 -1.048 693 HB3 LEU 91 HB3 LEU 91 -8.042 1.044 0.128 694 HG LEU 91 HG LEU 91 -10.749 -0.230 0.780 695 HD11 LEU 91 HD11 LEU 91 -9.213 -1.853 -0.112 696 HD12 LEU 91 HD12 LEU 91 -9.377 -2.097 1.638 697 HD13 LEU 91 HD13 LEU 91 -7.922 -1.312 0.992 698 HD21 LEU 91 HD21 LEU 91 -10.011 1.428 2.526 699 HD22 LEU 91 HD22 LEU 91 -8.504 0.494 2.707 700 HD23 LEU 91 HD23 LEU 91 -10.060 -0.236 3.105 701 H ARG 92 H ARG 92 -9.034 4.732 -0.445 702 HA ARG 92 HA ARG 92 -8.972 4.625 -3.452 703 HB2 ARG 92 HB2 ARG 92 -9.684 6.837 -1.484 704 HB3 ARG 92 HB3 ARG 92 -9.368 7.133 -3.194 705 HG2 ARG 92 HG2 ARG 92 -11.285 5.964 -3.906 706 HG3 ARG 92 HG3 ARG 92 -11.548 5.197 -2.319 707 HD2 ARG 92 HD2 ARG 92 -12.216 7.226 -1.305 708 HD3 ARG 92 HD3 ARG 92 -11.521 8.201 -2.609 709 HE ARG 92 HE ARG 92 -13.710 6.450 -3.428 710 HH11 ARG 92 HH11 ARG 92 -12.977 9.642 -2.012 711 HH12 ARG 92 HH12 ARG 92 -14.171 10.483 -2.944 712 HH21 ARG 92 HH21 ARG 92 -15.462 7.522 -4.463 713 HH22 ARG 92 HH22 ARG 92 -15.746 9.212 -4.167 714 H TYR 93 H TYR 93 -6.729 4.145 -3.777 715 HA TYR 93 HA TYR 93 -4.776 5.689 -2.219 716 HB2 TYR 93 HB2 TYR 93 -4.396 3.673 -4.402 717 HB3 TYR 93 HB3 TYR 93 -3.115 4.438 -3.439 718 HD1 TYR 93 HD1 TYR 93 -2.807 3.854 -1.021 719 HD2 TYR 93 HD2 TYR 93 -5.711 1.940 -3.518 720 HE1 TYR 93 HE1 TYR 93 -3.199 2.165 0.740 721 HE2 TYR 93 HE2 TYR 93 -6.143 0.212 -1.794 722 HH TYR 93 HH TYR 93 -4.353 0.248 1.346 723 H GLY 94 H GLY 94 -3.380 7.120 -2.896 724 HA2 GLY 94 HA2 GLY 94 -3.843 8.973 -4.924 725 HA3 GLY 94 HA3 GLY 94 -3.065 8.947 -3.353 726 H LYS 95 H LYS 95 -1.887 10.250 -5.423 727 HA LYS 95 HA LYS 95 -0.070 8.588 -6.906 728 HB2 LYS 95 HB2 LYS 95 -0.946 10.823 -7.580 729 HB3 LYS 95 HB3 LYS 95 -0.022 11.587 -6.292 730 HG2 LYS 95 HG2 LYS 95 2.048 11.174 -7.346 731 HG3 LYS 95 HG3 LYS 95 1.383 9.874 -8.330 732 HD2 LYS 95 HD2 LYS 95 0.732 12.804 -8.729 733 HD3 LYS 95 HD3 LYS 95 1.932 11.864 -9.639 734 HE2 LYS 95 HE2 LYS 95 -0.195 10.213 -9.927 735 HE3 LYS 95 HE3 LYS 95 -1.071 11.739 -9.768 736 HZ1 LYS 95 HZ1 LYS 95 1.109 11.238 -11.714 737 HZ2 LYS 95 HZ2 LYS 95 0.135 12.557 -11.685 738 HZ3 LYS 95 HZ3 LYS 95 -0.474 11.060 -12.053 739 H VAL 96 H VAL 96 2.492 8.966 -6.591 740 HA VAL 96 HA VAL 96 3.109 8.930 -3.689 741 HB VAL 96 HB VAL 96 4.353 7.276 -5.918 742 HG11 VAL 96 HG11 VAL 96 4.846 7.164 -2.931 743 HG12 VAL 96 HG12 VAL 96 5.605 6.129 -4.156 744 HG13 VAL 96 HG13 VAL 96 5.997 7.850 -4.096 745 HG21 VAL 96 HG21 VAL 96 3.411 5.344 -4.665 746 HG22 VAL 96 HG22 VAL 96 2.603 6.455 -3.541 747 HG23 VAL 96 HG23 VAL 96 2.131 6.412 -5.259 748 H TYR 97 H TYR 97 4.993 9.989 -2.959 749 HA TYR 97 HA TYR 97 6.432 11.637 -4.955 750 HB2 TYR 97 HB2 TYR 97 5.651 12.570 -2.173 751 HB3 TYR 97 HB3 TYR 97 6.209 13.517 -3.524 752 HD1 TYR 97 HD2 TYR 97 3.247 11.731 -2.079 753 HD2 TYR 97 HD1 TYR 97 4.699 14.312 -5.203 754 HE1 TYR 97 HE2 TYR 97 0.889 12.271 -2.679 755 HE2 TYR 97 HE1 TYR 97 2.395 14.910 -5.809 756 HH TYR 97 HH TYR 97 0.112 14.661 -5.236 757 H SER 98 H SER 98 8.411 12.531 -3.941 758 HA SER 98 HA SER 98 9.982 10.509 -2.462 759 HB2 SER 98 HB2 SER 98 11.003 11.154 -4.463 760 HB3 SER 98 HB3 SER 98 10.385 12.800 -4.377 761 HG SER 98 HG SER 98 12.737 11.812 -3.545 762 H THR 99 H THR 99 11.209 11.209 -0.534 763 HA THR 99 HA THR 99 9.847 13.307 1.011 764 HB THR 99 HB THR 99 11.567 12.405 2.750 765 HG1 THR 99 HG1 THR 99 12.540 10.541 2.305 766 HG21 THR 99 HG21 THR 99 9.479 10.435 1.752 767 HG22 THR 99 HG22 THR 99 9.148 11.830 2.807 768 HG23 THR 99 HG23 THR 99 10.177 10.530 3.385 769 H ASN 100 H ASN 100 11.318 14.764 2.260 770 HA ASN 100 HA ASN 100 13.182 16.036 0.382 771 HB2 ASN 100 HB2 ASN 100 11.693 17.461 1.821 772 HB3 ASN 100 HB3 ASN 100 12.540 16.862 3.240 773 HD21 ASN 100 HD21 ASN 100 13.421 18.213 -0.055 774 HD22 ASN 100 HD22 ASN 100 14.745 19.171 0.567 775 H GLU 101 H GLU 101 14.869 14.590 0.171 776 HA GLU 101 HA GLU 101 16.649 14.439 2.504 777 HB2 GLU 101 HB2 GLU 101 17.396 12.125 1.621 778 HB3 GLU 101 HB3 GLU 101 16.199 12.373 2.900 779 HG2 GLU 101 HG2 GLU 101 14.421 11.931 1.519 780 HG3 GLU 101 HG3 GLU 101 15.386 12.113 0.030 781 H ASP 102 H ASP 102 16.374 13.643 -0.825 782 HA ASP 102 HA ASP 102 17.709 13.783 -2.667 783 HB2 ASP 102 HB2 ASP 102 17.171 16.221 -2.162 784 HB3 ASP 102 HB3 ASP 102 18.842 16.364 -1.566 785 H SER 103 H SER 103 18.903 12.835 0.020 786 HA SER 103 HA SER 103 21.743 12.939 -0.252 787 HB2 SER 103 HB2 SER 103 19.804 11.379 1.495 788 HB3 SER 103 HB3 SER 103 21.560 11.339 1.693 789 HG SER 103 HG SER 103 20.019 13.744 1.659 790 H ASP 104 H ASP 104 19.751 11.390 -2.160 791 HA ASP 104 HA ASP 104 19.881 9.889 -3.779 792 HB2 ASP 104 HB2 ASP 104 22.355 10.499 -3.724 793 HB3 ASP 104 HB3 ASP 104 22.573 9.023 -2.774 794 H ALA 105 H ALA 105 19.766 9.144 -0.601 795 HA ALA 105 HA ALA 105 19.901 6.355 -0.397 796 HB1 ALA 105 HB1 ALA 105 19.819 7.885 1.521 797 HB2 ALA 105 HB2 ALA 105 18.141 8.324 1.133 798 HB3 ALA 105 HB3 ALA 105 18.534 6.667 1.633 799 H LYS 106 H LYS 106 16.877 8.330 -0.788 800 HA LYS 106 HA LYS 106 14.841 7.810 -1.595 801 HB2 LYS 106 HB2 LYS 106 16.517 7.436 -3.591 802 HB3 LYS 106 HB3 LYS 106 16.045 5.763 -3.465 803 HG2 LYS 106 HG2 LYS 106 14.098 8.095 -3.776 804 HG3 LYS 106 HG3 LYS 106 14.850 7.300 -5.146 805 HD2 LYS 106 HD2 LYS 106 12.904 6.051 -3.186 806 HD3 LYS 106 HD3 LYS 106 12.583 6.524 -4.858 807 HE2 LYS 106 HE2 LYS 106 14.254 4.884 -5.684 808 HE3 LYS 106 HE3 LYS 106 14.603 4.401 -4.014 809 HZ1 LYS 106 HZ1 LYS 106 12.297 3.717 -3.810 810 HZ2 LYS 106 HZ2 LYS 106 13.128 2.868 -4.935 811 HZ3 LYS 106 HZ3 LYS 106 12.043 4.035 -5.419 812 H ASP 107 H ASP 107 15.622 6.690 0.742 813 HA ASP 107 HA ASP 107 14.555 3.859 0.786 814 HB2 ASP 107 HB2 ASP 107 15.592 3.537 2.800 815 HB3 ASP 107 HB3 ASP 107 16.758 4.403 1.836 816 H GLU 108 H GLU 108 13.526 7.099 1.315 817 HA GLU 108 HA GLU 108 11.025 6.074 2.538 818 HB2 GLU 108 HB2 GLU 108 12.856 8.274 3.423 819 HB3 GLU 108 HB3 GLU 108 11.101 8.542 3.532 820 HG2 GLU 108 HG2 GLU 108 10.819 6.513 4.857 821 HG3 GLU 108 HG3 GLU 108 12.553 6.187 4.786 822 H ILE 109 H ILE 109 9.255 6.959 1.773 823 HA ILE 109 HA ILE 109 9.338 9.052 -0.288 824 HB ILE 109 HB ILE 109 8.114 7.725 -1.926 825 HG12 ILE 109 HG12 ILE 109 8.203 5.221 -1.770 826 HG13 ILE 109 HG13 ILE 109 8.466 5.368 -0.035 827 HG21 ILE 109 HG21 ILE 109 10.729 6.377 -1.264 828 HG22 ILE 109 HG22 ILE 109 9.887 6.379 -2.809 829 HG23 ILE 109 HG23 ILE 109 10.514 7.906 -2.161 830 HD11 ILE 109 HD11 ILE 109 6.007 5.182 -1.106 831 HD12 ILE 109 HD12 ILE 109 6.292 6.212 0.310 832 HD13 ILE 109 HD13 ILE 109 6.188 6.888 -1.317 833 H ILE 110 H ILE 110 6.715 9.190 -1.003 834 HA ILE 110 HA ILE 110 5.171 9.128 1.536 835 HB ILE 110 HB ILE 110 5.254 11.425 -0.444 836 HG12 ILE 110 HG12 ILE 110 6.600 11.161 2.257 837 HG13 ILE 110 HG13 ILE 110 7.457 11.209 0.722 838 HG21 ILE 110 HG21 ILE 110 3.926 12.605 1.194 839 HG22 ILE 110 HG22 ILE 110 3.135 11.065 0.903 840 HG23 ILE 110 HG23 ILE 110 4.107 11.275 2.372 841 HD11 ILE 110 HD11 ILE 110 6.915 13.417 0.277 842 HD12 ILE 110 HD12 ILE 110 5.917 13.557 1.742 843 HD13 ILE 110 HD13 ILE 110 7.650 13.270 1.898 844 H VAL 111 H VAL 111 3.366 8.057 1.260 845 HA VAL 111 HA VAL 111 2.224 7.553 -1.471 846 HB VAL 111 HB VAL 111 2.131 6.155 1.209 847 HG11 VAL 111 HG11 VAL 111 -0.200 5.968 0.464 848 HG12 VAL 111 HG12 VAL 111 0.330 5.451 -1.142 849 HG13 VAL 111 HG13 VAL 111 0.585 4.434 0.295 850 HG21 VAL 111 HG21 VAL 111 3.265 4.397 0.196 851 HG22 VAL 111 HG22 VAL 111 2.886 4.963 -1.460 852 HG23 VAL 111 HG23 VAL 111 4.021 5.840 -0.417 853 H GLU 112 H GLU 112 0.204 8.451 -1.992 854 HA GLU 112 HA GLU 112 -1.153 9.904 0.178 855 HB2 GLU 112 HB2 GLU 112 -0.921 11.100 -1.817 856 HB3 GLU 112 HB3 GLU 112 -1.408 9.799 -2.758 857 HG2 GLU 112 HG2 GLU 112 -3.776 10.055 -1.610 858 HG3 GLU 112 HG3 GLU 112 -3.149 11.492 -0.874 859 H PHE 113 H PHE 113 -3.188 9.170 0.980 860 HA PHE 113 HA PHE 113 -4.583 6.964 -0.341 861 HB2 PHE 113 HB2 PHE 113 -2.950 5.876 1.201 862 HB3 PHE 113 HB3 PHE 113 -3.574 6.838 2.536 863 HD1 PHE 113 HD2 PHE 113 -5.282 4.917 -0.239 864 HD2 PHE 113 HD1 PHE 113 -4.704 5.380 4.023 865 HE1 PHE 113 HE2 PHE 113 -6.816 3.100 0.134 866 HE2 PHE 113 HE1 PHE 113 -6.273 3.529 4.412 867 HZ PHE 113 HZ PHE 113 -7.389 2.386 2.499 868 H ASN 114 H ASN 114 -6.790 7.151 -0.010 869 HA ASN 114 HA ASN 114 -8.714 8.284 0.320 870 HB2 ASN 114 HB2 ASN 114 -7.759 8.082 3.192 871 HB3 ASN 114 HB3 ASN 114 -9.382 8.554 2.718 872 HD21 ASN 114 HD21 ASN 114 -10.246 6.744 0.873 873 HD22 ASN 114 HD22 ASN 114 -10.188 5.161 1.584 874 H ARG 115 H ARG 115 -6.684 9.949 -0.543 875 HA ARG 115 HA ARG 115 -6.425 12.071 -1.145 876 HB2 ARG 115 HB2 ARG 115 -8.622 12.919 0.788 877 HB3 ARG 115 HB3 ARG 115 -7.978 13.847 -0.531 878 HG2 ARG 115 HG2 ARG 115 -9.628 11.287 -0.784 879 HG3 ARG 115 HG3 ARG 115 -10.144 12.933 -1.138 880 HD2 ARG 115 HD2 ARG 115 -8.034 11.330 -2.635 881 HD3 ARG 115 HD3 ARG 115 -9.639 11.774 -3.227 882 HE ARG 115 HE ARG 115 -7.266 13.507 -2.946 883 HH11 ARG 115 HH11 ARG 115 -10.746 13.495 -3.822 884 HH12 ARG 115 HH12 ARG 115 -10.811 15.189 -4.034 885 HH21 ARG 115 HH21 ARG 115 -7.370 15.702 -3.226 886 HH22 ARG 115 HH22 ARG 115 -8.780 16.465 -3.863 887 H GLU 116 H GLU 116 -5.180 10.948 1.656 888 HA GLU 116 HA GLU 116 -4.052 13.554 2.480 889 HB2 GLU 116 HB2 GLU 116 -4.761 10.997 3.983 890 HB3 GLU 116 HB3 GLU 116 -3.688 12.240 4.637 891 HG2 GLU 116 HG2 GLU 116 -5.530 13.899 4.405 892 HG3 GLU 116 HG3 GLU 116 -6.625 12.599 3.900 893 H TYR 117 H TYR 117 -1.818 13.481 2.845 894 HA TYR 117 HA TYR 117 -0.338 11.363 1.363 895 HB2 TYR 117 HB2 TYR 117 0.566 14.071 2.383 896 HB3 TYR 117 HB3 TYR 117 1.536 12.949 1.444 897 HD1 TYR 117 HD1 TYR 117 -1.620 12.669 -0.056 898 HD2 TYR 117 HD2 TYR 117 1.638 15.458 0.346 899 HE1 TYR 117 HE1 TYR 117 -2.428 13.844 -2.019 900 HE2 TYR 117 HE2 TYR 117 0.874 16.587 -1.758 901 HH TYR 117 HH TYR 117 -2.032 15.428 -3.511 902 H TYR 118 H TYR 118 0.807 9.836 2.371 903 HA TYR 118 HA TYR 118 1.486 10.212 5.269 904 HB2 TYR 118 HB2 TYR 118 0.688 7.686 3.774 905 HB3 TYR 118 HB3 TYR 118 1.221 7.755 5.451 906 HD1 TYR 118 HD2 TYR 118 -0.145 8.973 7.169 907 HD2 TYR 118 HD1 TYR 118 -1.577 8.329 3.152 908 HE1 TYR 118 HE2 TYR 118 -2.428 9.551 7.893 909 HE2 TYR 118 HE1 TYR 118 -3.875 8.874 3.884 910 HH TYR 118 HH TYR 118 -4.588 10.026 7.197 911 H ARG 119 H ARG 119 3.578 10.031 5.850 912 HA ARG 119 HA ARG 119 5.541 9.519 3.760 913 HB2 ARG 119 HB2 ARG 119 5.853 11.138 5.604 914 HB3 ARG 119 HB3 ARG 119 5.940 9.810 6.782 915 HG2 ARG 119 HG2 ARG 119 7.687 9.663 4.409 916 HG3 ARG 119 HG3 ARG 119 8.044 11.039 5.454 917 HD2 ARG 119 HD2 ARG 119 7.899 8.164 6.413 918 HD3 ARG 119 HD3 ARG 119 9.388 8.998 5.898 919 HE ARG 119 HE ARG 119 7.742 9.553 8.333 920 HH11 ARG 119 HH11 ARG 119 10.978 9.547 7.037 921 HH12 ARG 119 HH12 ARG 119 11.570 10.789 8.061 922 HH21 ARG 119 HH21 ARG 119 8.590 10.881 9.899 923 HH22 ARG 119 HH22 ARG 119 10.197 11.528 9.791 924 H ALA 120 H ALA 120 6.548 7.646 3.328 925 HA ALA 120 HA ALA 120 5.993 5.316 5.123 926 HB1 ALA 120 HB1 ALA 120 4.579 5.448 2.975 927 HB2 ALA 120 HB2 ALA 120 6.077 5.008 2.127 928 HB3 ALA 120 HB3 ALA 120 5.400 3.924 3.357 929 H VAL 121 H VAL 121 7.667 3.710 5.297 930 HA VAL 121 HA VAL 121 10.349 4.464 4.239 931 HB VAL 121 HB VAL 121 9.733 2.509 6.491 932 HG11 VAL 121 HG11 VAL 121 12.057 3.148 7.247 933 HG12 VAL 121 HG12 VAL 121 12.013 2.318 5.715 934 HG13 VAL 121 HG13 VAL 121 12.239 4.086 5.744 935 HG21 VAL 121 HG21 VAL 121 10.096 4.050 8.153 936 HG22 VAL 121 HG22 VAL 121 10.436 5.380 7.002 937 HG23 VAL 121 HG23 VAL 121 8.808 4.683 7.114 938 H LEU 122 H LEU 122 11.631 2.928 3.304 939 HA LEU 122 HA LEU 122 10.353 0.701 2.004 940 HB2 LEU 122 HB2 LEU 122 12.523 2.221 1.471 941 HB3 LEU 122 HB3 LEU 122 13.365 0.894 2.246 942 HG LEU 122 HG LEU 122 11.396 0.589 -0.009 943 HD11 LEU 122 HD11 LEU 122 13.243 0.569 -1.626 944 HD12 LEU 122 HD12 LEU 122 14.420 0.844 -0.320 945 HD13 LEU 122 HD13 LEU 122 13.253 2.101 -0.746 946 HD21 LEU 122 HD21 LEU 122 13.676 -1.218 0.608 947 HD22 LEU 122 HD22 LEU 122 12.274 -1.489 -0.432 948 HD23 LEU 122 HD23 LEU 122 12.051 -1.418 1.333 949 H ILE 123 H ILE 123 9.683 -1.062 3.134 950 HA ILE 123 HA ILE 123 10.447 -1.442 5.860 951 HB ILE 123 HB ILE 123 8.875 -3.056 3.761 952 HG12 ILE 123 HG12 ILE 123 7.838 -2.068 6.404 953 HG13 ILE 123 HG13 ILE 123 8.070 -0.939 5.048 954 HG21 ILE 123 HG21 ILE 123 8.098 -4.604 5.589 955 HG22 ILE 123 HG22 ILE 123 9.762 -4.868 5.129 956 HG23 ILE 123 HG23 ILE 123 9.398 -3.975 6.617 957 HD11 ILE 123 HD11 ILE 123 6.391 -3.466 4.792 958 HD12 ILE 123 HD12 ILE 123 5.744 -1.866 5.176 959 HD13 ILE 123 HD13 ILE 123 6.594 -2.125 3.643 960 H LYS 124 H LYS 124 10.958 -3.060 2.891 961 HA LYS 124 HA LYS 124 12.326 -5.421 3.523 962 HB2 LYS 124 HB2 LYS 124 12.371 -3.603 1.086 963 HB3 LYS 124 HB3 LYS 124 12.740 -5.287 1.102 964 HG2 LYS 124 HG2 LYS 124 10.516 -5.969 1.232 965 HG3 LYS 124 HG3 LYS 124 9.995 -4.583 2.117 966 HD2 LYS 124 HD2 LYS 124 9.177 -4.768 -0.258 967 HD3 LYS 124 HD3 LYS 124 9.834 -3.214 0.290 968 HE2 LYS 124 HE2 LYS 124 10.436 -3.939 -2.067 969 HE3 LYS 124 HE3 LYS 124 11.746 -3.391 -1.018 970 HZ1 LYS 124 HZ1 LYS 124 11.256 -6.262 -1.108 971 HZ2 LYS 124 HZ2 LYS 124 12.634 -5.445 -0.928 972 HZ3 LYS 124 HZ3 LYS 124 12.010 -5.492 -2.400 973 H ASN 125 H ASN 125 13.461 -2.153 3.310 974 HA ASN 125 HA ASN 125 16.244 -2.796 2.831 975 HB2 ASN 125 HB2 ASN 125 14.872 -0.665 2.264 976 HB3 ASN 125 HB3 ASN 125 15.099 -0.227 3.954 977 HD21 ASN 125 HD21 ASN 125 15.943 1.447 2.025 978 HD22 ASN 125 HD22 ASN 125 17.687 1.293 1.724 979 H GLU 126 H GLU 126 14.145 -1.730 5.551 980 HA GLU 126 HA GLU 126 16.276 -1.944 7.495 981 HB2 GLU 126 HB2 GLU 126 14.751 -1.085 9.038 982 HB3 GLU 126 HB3 GLU 126 14.636 -0.129 7.576 983 HG2 GLU 126 HG2 GLU 126 12.495 -1.109 7.001 984 HG3 GLU 126 HG3 GLU 126 12.600 -2.268 8.338 985 H LYS 127 H LYS 127 14.888 -3.115 9.713 986 HA LYS 127 HA LYS 127 14.309 -5.880 8.801 987 HB2 LYS 127 HB2 LYS 127 15.979 -6.759 10.307 988 HB3 LYS 127 HB3 LYS 127 16.701 -5.702 9.100 989 HG2 LYS 127 HG2 LYS 127 16.861 -3.853 10.730 990 HG3 LYS 127 HG3 LYS 127 16.173 -4.883 11.984 991 HD2 LYS 127 HD2 LYS 127 18.761 -5.372 10.459 992 HD3 LYS 127 HD3 LYS 127 18.600 -4.760 12.108 993 HE2 LYS 127 HE2 LYS 127 17.073 -7.081 12.175 994 HE3 LYS 127 HE3 LYS 127 18.382 -7.550 11.078 995 HZ1 LYS 127 HZ1 LYS 127 19.948 -7.073 12.832 996 HZ2 LYS 127 HZ2 LYS 127 18.701 -7.944 13.515 997 HZ3 LYS 127 HZ3 LYS 127 18.762 -6.354 13.750 998 H GLU 128 H GLU 128 12.381 -3.977 9.837 999 HA GLU 128 HA GLU 128 11.594 -5.419 12.290 1000 HB2 GLU 128 HB2 GLU 128 11.752 -2.421 11.805 1001 HB3 GLU 128 HB3 GLU 128 10.696 -3.143 13.021 1002 HG2 GLU 128 HG2 GLU 128 12.589 -4.154 14.179 1003 HG3 GLU 128 HG3 GLU 128 13.710 -3.563 12.946 Start of MODEL 18 1 H1 GLY 1 H GLY 1 38.432 -32.078 -8.451 2 HA2 GLY 1 HA2 GLY 1 36.638 -31.858 -10.813 3 HA3 GLY 1 HA3 GLY 1 36.249 -31.238 -9.186 4 H SER 2 H SER 2 36.000 -29.101 -10.410 5 HA SER 2 HA SER 2 38.569 -27.669 -10.392 6 HB2 SER 2 HB2 SER 2 36.624 -27.425 -12.725 7 HB3 SER 2 HB3 SER 2 38.206 -26.645 -12.541 8 HG SER 2 HG SER 2 39.161 -28.693 -12.701 9 H THR 3 H THR 3 35.161 -26.932 -11.387 10 HA THR 3 HA THR 3 33.713 -25.404 -10.688 11 HB THR 3 HB THR 3 33.436 -25.509 -8.018 12 HG1 THR 3 HG1 THR 3 35.396 -26.693 -7.757 13 HG21 THR 3 HG21 THR 3 32.873 -27.829 -9.930 14 HG22 THR 3 HG22 THR 3 31.847 -26.387 -9.685 15 HG23 THR 3 HG23 THR 3 32.083 -27.531 -8.360 16 H MET 4 H MET 4 36.669 -24.361 -10.766 17 HA MET 4 HA MET 4 36.618 -22.103 -8.961 18 HB2 MET 4 HB2 MET 4 38.275 -22.680 -11.462 19 HB3 MET 4 HB3 MET 4 38.533 -21.318 -10.374 20 HG2 MET 4 HG2 MET 4 38.777 -24.266 -9.670 21 HG3 MET 4 HG3 MET 4 40.105 -23.146 -9.924 22 HE1 MET 4 HE1 MET 4 40.865 -21.287 -8.262 23 HE2 MET 4 HE2 MET 4 39.266 -20.500 -8.299 24 HE3 MET 4 HE3 MET 4 40.030 -20.889 -6.744 25 H HIS 5 H HIS 5 34.682 -20.959 -9.258 26 HA HIS 5 HA HIS 5 34.477 -19.318 -11.628 27 HB2 HIS 5 HB2 HIS 5 33.189 -21.550 -12.032 28 HB3 HIS 5 HB3 HIS 5 32.080 -20.996 -10.781 29 HD1 HIS 5 HD1 HIS 5 33.584 -19.161 -13.899 30 HD2 HIS 5 HD2 HIS 5 29.940 -20.174 -12.036 31 HE1 HIS 5 HE1 HIS 5 31.716 -18.112 -15.305 32 H PHE 6 H PHE 6 32.169 -18.021 -11.125 33 HA PHE 6 HA PHE 6 32.117 -17.255 -8.268 34 HB2 PHE 6 HB2 PHE 6 32.097 -15.267 -10.571 35 HB3 PHE 6 HB3 PHE 6 32.159 -14.912 -8.854 36 HD1 PHE 6 HD2 PHE 6 34.308 -16.011 -7.589 37 HD2 PHE 6 HD1 PHE 6 34.085 -15.071 -11.792 38 HE1 PHE 6 HE2 PHE 6 36.779 -15.920 -7.703 39 HE2 PHE 6 HE1 PHE 6 36.559 -14.986 -11.901 40 HZ PHE 6 HZ PHE 6 37.917 -15.409 -9.858 41 H THR 7 H THR 7 30.030 -15.855 -7.945 42 HA THR 7 HA THR 7 27.850 -16.643 -9.800 43 HB THR 7 HB THR 7 26.464 -17.041 -7.775 44 HG1 THR 7 HG1 THR 7 27.848 -15.762 -6.368 45 HG21 THR 7 HG21 THR 7 28.966 -18.790 -7.712 46 HG22 THR 7 HG22 THR 7 27.596 -18.987 -8.824 47 HG23 THR 7 HG23 THR 7 27.360 -19.188 -7.080 48 H ASP 8 H ASP 8 25.774 -15.253 -8.850 49 HA ASP 8 HA ASP 8 26.707 -12.541 -8.152 50 HB2 ASP 8 HB2 ASP 8 26.351 -12.688 -10.639 51 HB3 ASP 8 HB3 ASP 8 24.678 -13.151 -10.332 52 H ASP 9 H ASP 9 24.854 -11.310 -7.309 53 HA ASP 9 HA ASP 9 22.953 -13.055 -5.777 54 HB2 ASP 9 HB2 ASP 9 24.748 -10.792 -5.005 55 HB3 ASP 9 HB3 ASP 9 23.135 -10.758 -4.323 56 H ASN 10 H ASN 10 21.195 -11.062 -4.913 57 HA ASN 10 HA ASN 10 20.284 -9.362 -6.986 58 HB2 ASN 10 HB2 ASN 10 19.455 -11.657 -7.907 59 HB3 ASN 10 HB3 ASN 10 18.442 -11.759 -6.463 60 HD21 ASN 10 HD21 ASN 10 16.306 -10.979 -7.007 61 HD22 ASN 10 HD22 ASN 10 16.133 -9.685 -8.157 62 H GLU 11 H GLU 11 18.113 -8.282 -6.129 63 HA GLU 11 HA GLU 11 18.379 -7.984 -3.285 64 HB2 GLU 11 HB2 GLU 11 16.771 -6.313 -3.363 65 HB3 GLU 11 HB3 GLU 11 17.740 -6.116 -4.809 66 HG2 GLU 11 HG2 GLU 11 15.934 -6.979 -6.194 67 HG3 GLU 11 HG3 GLU 11 14.994 -7.449 -4.783 68 H ASN 12 H ASN 12 15.808 -7.825 -2.271 69 HA ASN 12 HA ASN 12 14.591 -10.495 -2.600 70 HB2 ASN 12 HB2 ASN 12 16.385 -10.635 -0.798 71 HB3 ASN 12 HB3 ASN 12 15.468 -9.450 0.132 72 HD21 ASN 12 HD21 ASN 12 12.993 -10.093 0.306 73 HD22 ASN 12 HD22 ASN 12 12.642 -11.796 0.584 74 H ASP 13 H ASP 13 13.130 -9.011 -3.689 75 HA ASP 13 HA ASP 13 11.829 -6.942 -2.187 76 HB2 ASP 13 HB2 ASP 13 10.791 -6.312 -4.068 77 HB3 ASP 13 HB3 ASP 13 12.201 -7.089 -4.747 78 H THR 14 H THR 14 9.159 -7.090 -2.491 79 HA THR 14 HA THR 14 8.482 -8.958 -0.373 80 HB THR 14 HB THR 14 7.667 -6.734 -0.300 81 HG1 THR 14 HG1 THR 14 5.349 -7.438 -0.087 82 HG21 THR 14 HG21 THR 14 7.431 -6.115 -2.694 83 HG22 THR 14 HG22 THR 14 5.947 -5.817 -1.791 84 HG23 THR 14 HG23 THR 14 6.053 -7.224 -2.855 85 H SER 15 H SER 15 7.725 -8.604 -3.761 86 HA SER 15 HA SER 15 6.805 -9.880 -5.359 87 HB2 SER 15 HB2 SER 15 8.619 -11.401 -4.673 88 HB3 SER 15 HB3 SER 15 7.543 -12.161 -3.496 89 HG SER 15 HG SER 15 7.326 -13.489 -5.035 90 H GLU 16 H GLU 16 4.993 -8.525 -4.093 91 HA GLU 16 HA GLU 16 2.647 -10.214 -4.097 92 HB2 GLU 16 HB2 GLU 16 1.900 -9.946 -1.956 93 HB3 GLU 16 HB3 GLU 16 3.641 -10.066 -1.668 94 HG2 GLU 16 HG2 GLU 16 3.752 -7.582 -1.524 95 HG3 GLU 16 HG3 GLU 16 1.982 -7.562 -1.548 96 H THR 17 H THR 17 0.666 -8.400 -3.676 97 HA THR 17 HA THR 17 1.452 -5.935 -5.116 98 HB THR 17 HB THR 17 0.529 -7.613 -6.727 99 HG1 THR 17 HG1 THR 17 0.249 -5.652 -7.496 100 HG21 THR 17 HG21 THR 17 -1.812 -8.225 -6.673 101 HG22 THR 17 HG22 THR 17 -2.130 -7.122 -5.334 102 HG23 THR 17 HG23 THR 17 -1.180 -8.580 -5.067 103 H MET 18 H MET 18 -0.600 -4.459 -5.089 104 HA MET 18 HA MET 18 -0.895 -3.737 -2.444 105 HB2 MET 18 HB2 MET 18 -2.409 -3.026 -4.964 106 HB3 MET 18 HB3 MET 18 -3.013 -2.400 -3.445 107 HG2 MET 18 HG2 MET 18 -0.147 -2.012 -4.350 108 HG3 MET 18 HG3 MET 18 -1.445 -0.920 -4.783 109 HE1 MET 18 HE1 MET 18 -2.929 -1.279 -1.515 110 HE2 MET 18 HE2 MET 18 -1.608 -2.365 -1.016 111 HE3 MET 18 HE3 MET 18 -1.753 -0.764 -0.292 112 H GLU 19 H GLU 19 -3.180 -5.528 -4.598 113 HA GLU 19 HA GLU 19 -5.386 -5.757 -2.904 114 HB2 GLU 19 HB2 GLU 19 -4.391 -7.899 -4.842 115 HB3 GLU 19 HB3 GLU 19 -5.992 -7.779 -4.127 116 HG2 GLU 19 HG2 GLU 19 -6.443 -6.829 -6.139 117 HG3 GLU 19 HG3 GLU 19 -6.023 -5.384 -5.219 118 H SER 20 H SER 20 -2.494 -7.895 -3.038 119 HA SER 20 HA SER 20 -3.382 -9.818 -1.145 120 HB2 SER 20 HB2 SER 20 -0.509 -8.906 -1.682 121 HB3 SER 20 HB3 SER 20 -1.027 -10.471 -1.044 122 HG SER 20 HG SER 20 -2.150 -10.744 -3.109 123 H LEU 21 H LEU 21 -2.135 -6.606 -0.722 124 HA LEU 21 HA LEU 21 -1.397 -6.980 2.086 125 HB2 LEU 21 HB2 LEU 21 -2.089 -4.363 0.644 126 HB3 LEU 21 HB3 LEU 21 -1.324 -4.537 2.188 127 HG LEU 21 HG LEU 21 -0.188 -4.919 -0.548 128 HD11 LEU 21 HD11 LEU 21 1.520 -3.406 0.373 129 HD12 LEU 21 HD12 LEU 21 0.782 -3.523 1.979 130 HD13 LEU 21 HD13 LEU 21 -0.115 -2.766 0.659 131 HD21 LEU 21 HD21 LEU 21 0.513 -6.970 0.478 132 HD22 LEU 21 HD22 LEU 21 0.972 -6.130 1.981 133 HD23 LEU 21 HD23 LEU 21 1.879 -5.853 0.472 134 H ILE 22 H ILE 22 -4.007 -5.326 0.301 135 HA ILE 22 HA ILE 22 -5.609 -4.646 2.475 136 HB ILE 22 HB ILE 22 -6.459 -5.395 -0.361 137 HG12 ILE 22 HG12 ILE 22 -5.932 -2.620 0.785 138 HG13 ILE 22 HG13 ILE 22 -4.737 -3.498 -0.154 139 HG21 ILE 22 HG21 ILE 22 -7.800 -3.911 1.920 140 HG22 ILE 22 HG22 ILE 22 -8.442 -3.911 0.241 141 HG23 ILE 22 HG23 ILE 22 -8.343 -5.413 1.149 142 HD11 ILE 22 HD11 ILE 22 -7.434 -2.524 -1.157 143 HD12 ILE 22 HD12 ILE 22 -5.812 -2.043 -1.679 144 HD13 ILE 22 HD13 ILE 22 -6.412 -3.667 -2.052 145 H ASP 23 H ASP 23 -5.750 -7.637 0.507 146 HA ASP 23 HA ASP 23 -7.979 -8.722 1.834 147 HB2 ASP 23 HB2 ASP 23 -6.277 -9.455 -0.294 148 HB3 ASP 23 HB3 ASP 23 -6.141 -10.765 0.841 149 H LYS 24 H LYS 24 -4.833 -8.435 3.106 150 HA LYS 24 HA LYS 24 -5.442 -10.532 5.182 151 HB2 LYS 24 HB2 LYS 24 -3.242 -11.000 5.317 152 HB3 LYS 24 HB3 LYS 24 -3.172 -10.316 3.710 153 HG2 LYS 24 HG2 LYS 24 -1.418 -9.224 4.662 154 HG3 LYS 24 HG3 LYS 24 -2.651 -8.045 4.944 155 HD2 LYS 24 HD2 LYS 24 -2.543 -9.876 7.218 156 HD3 LYS 24 HD3 LYS 24 -0.916 -9.347 6.810 157 HE2 LYS 24 HE2 LYS 24 -2.086 -6.932 6.786 158 HE3 LYS 24 HE3 LYS 24 -3.270 -7.709 7.794 159 HZ1 LYS 24 HZ1 LYS 24 -1.497 -6.604 9.012 160 HZ2 LYS 24 HZ2 LYS 24 -0.390 -7.598 8.362 161 HZ3 LYS 24 HZ3 LYS 24 -1.542 -8.250 9.342 162 H GLY 25 H GLY 25 -5.379 -7.160 4.553 163 HA2 GLY 25 HA2 GLY 25 -6.262 -5.535 6.000 164 HA3 GLY 25 HA3 GLY 25 -5.838 -6.520 7.404 165 H LYS 26 H LYS 26 -3.674 -5.619 4.640 166 HA LYS 26 HA LYS 26 -1.768 -4.425 6.627 167 HB2 LYS 26 HB2 LYS 26 -1.451 -5.756 3.972 168 HB3 LYS 26 HB3 LYS 26 -0.357 -4.435 4.327 169 HG2 LYS 26 HG2 LYS 26 0.082 -5.783 6.530 170 HG3 LYS 26 HG3 LYS 26 -0.572 -7.106 5.574 171 HD2 LYS 26 HD2 LYS 26 1.548 -5.644 4.141 172 HD3 LYS 26 HD3 LYS 26 2.084 -6.304 5.679 173 HE2 LYS 26 HE2 LYS 26 1.303 -8.525 5.041 174 HE3 LYS 26 HE3 LYS 26 0.689 -7.895 3.502 175 HZ1 LYS 26 HZ1 LYS 26 3.571 -7.776 4.237 176 HZ2 LYS 26 HZ2 LYS 26 2.918 -7.606 2.732 177 HZ3 LYS 26 HZ3 LYS 26 2.908 -9.030 3.448 178 H LEU 27 H LEU 27 -3.624 -2.686 6.711 179 HA LEU 27 HA LEU 27 -3.606 -0.844 4.400 180 HB2 LEU 27 HB2 LEU 27 -4.881 -0.458 7.136 181 HB3 LEU 27 HB3 LEU 27 -5.059 0.558 5.736 182 HG LEU 27 HG LEU 27 -7.046 -0.577 5.839 183 HD11 LEU 27 HD11 LEU 27 -6.097 -0.564 3.544 184 HD12 LEU 27 HD12 LEU 27 -7.172 -1.954 3.829 185 HD13 LEU 27 HD13 LEU 27 -5.415 -2.188 3.825 186 HD21 LEU 27 HD21 LEU 27 -5.669 -3.260 6.039 187 HD22 LEU 27 HD22 LEU 27 -7.387 -2.895 6.219 188 HD23 LEU 27 HD23 LEU 27 -6.249 -2.344 7.454 189 H ASP 28 H ASP 28 -1.448 -1.471 6.790 190 HA ASP 28 HA ASP 28 -0.694 1.336 7.394 191 HB2 ASP 28 HB2 ASP 28 0.348 -1.299 8.457 192 HB3 ASP 28 HB3 ASP 28 0.974 0.274 8.918 193 H GLN 29 H GLN 29 -0.149 -0.780 4.851 194 HA GLN 29 HA GLN 29 2.323 0.594 4.145 195 HB2 GLN 29 HB2 GLN 29 3.297 -1.719 3.512 196 HB3 GLN 29 HB3 GLN 29 3.302 -1.288 5.209 197 HG2 GLN 29 HG2 GLN 29 0.822 -2.632 4.546 198 HG3 GLN 29 HG3 GLN 29 2.181 -3.572 3.988 199 HE21 GLN 29 HE21 GLN 29 4.079 -3.522 5.843 200 HE22 GLN 29 HE22 GLN 29 3.506 -3.858 7.425 201 H VAL 30 H VAL 30 2.932 -0.033 1.893 202 HA VAL 30 HA VAL 30 0.654 -0.872 0.165 203 HB VAL 30 HB VAL 30 0.915 1.092 -1.239 204 HG11 VAL 30 HG11 VAL 30 0.347 2.068 1.574 205 HG12 VAL 30 HG12 VAL 30 -0.317 2.645 0.025 206 HG13 VAL 30 HG13 VAL 30 -0.754 1.055 0.635 207 HG21 VAL 30 HG21 VAL 30 2.694 2.302 0.907 208 HG22 VAL 30 HG22 VAL 30 3.303 1.632 -0.624 209 HG23 VAL 30 HG23 VAL 30 2.196 2.993 -0.666 210 H VAL 31 H VAL 31 1.381 -1.169 -2.236 211 HA VAL 31 HA VAL 31 4.195 -1.846 -2.339 212 HB VAL 31 HB VAL 31 2.314 -3.196 -4.195 213 HG11 VAL 31 HG11 VAL 31 4.608 -3.448 -4.573 214 HG12 VAL 31 HG12 VAL 31 4.779 -4.217 -2.955 215 HG13 VAL 31 HG13 VAL 31 3.746 -4.967 -4.207 216 HG21 VAL 31 HG21 VAL 31 2.215 -5.189 -2.593 217 HG22 VAL 31 HG22 VAL 31 2.948 -4.156 -1.375 218 HG23 VAL 31 HG23 VAL 31 1.307 -3.789 -1.972 219 H TYR 32 H TYR 32 5.305 -0.900 -4.032 220 HA TYR 32 HA TYR 32 3.879 0.107 -6.421 221 HB2 TYR 32 HB2 TYR 32 3.753 2.124 -5.214 222 HB3 TYR 32 HB3 TYR 32 5.277 1.835 -4.369 223 HD1 TYR 32 HD1 TYR 32 4.136 2.195 -7.986 224 HD2 TYR 32 HD2 TYR 32 7.061 3.174 -4.990 225 HE1 TYR 32 HE1 TYR 32 5.263 3.722 -9.561 226 HE2 TYR 32 HE2 TYR 32 8.185 4.700 -6.521 227 HH TYR 32 HH TYR 32 8.363 5.317 -8.826 228 H ASP 33 H ASP 33 5.155 -0.174 -8.136 229 HA ASP 33 HA ASP 33 6.868 -0.916 -9.412 230 HB2 ASP 33 HB2 ASP 33 7.566 1.378 -8.533 231 HB3 ASP 33 HB3 ASP 33 8.652 0.528 -7.449 232 H ASP 34 H ASP 34 6.005 -2.738 -7.364 233 HA ASP 34 HA ASP 34 6.503 -4.813 -6.565 234 HB2 ASP 34 HB2 ASP 34 8.081 -4.579 -8.770 235 HB3 ASP 34 HB3 ASP 34 9.338 -4.812 -7.570 236 H GLN 35 H GLN 35 7.024 -2.377 -4.964 237 HA GLN 35 HA GLN 35 9.071 -3.534 -3.139 238 HB2 GLN 35 HB2 GLN 35 8.701 -0.564 -3.493 239 HB3 GLN 35 HB3 GLN 35 9.913 -1.405 -2.551 240 HG2 GLN 35 HG2 GLN 35 9.738 -1.037 -5.540 241 HG3 GLN 35 HG3 GLN 35 10.979 -0.538 -4.411 242 HE21 GLN 35 HE21 GLN 35 11.374 -3.169 -3.087 243 HE22 GLN 35 HE22 GLN 35 12.178 -4.120 -4.353 244 H LEU 36 H LEU 36 8.777 -2.971 -0.932 245 HA LEU 36 HA LEU 36 5.905 -2.393 -0.293 246 HB2 LEU 36 HB2 LEU 36 6.872 -4.744 -0.029 247 HB3 LEU 36 HB3 LEU 36 7.828 -4.117 1.304 248 HG LEU 36 HG LEU 36 5.628 -3.494 2.440 249 HD11 LEU 36 HD11 LEU 36 4.138 -3.387 0.499 250 HD12 LEU 36 HD12 LEU 36 3.580 -4.583 1.672 251 HD13 LEU 36 HD13 LEU 36 4.407 -5.120 0.193 252 HD21 LEU 36 HD21 LEU 36 6.865 -5.575 2.945 253 HD22 LEU 36 HD22 LEU 36 6.083 -6.376 1.572 254 HD23 LEU 36 HD23 LEU 36 5.121 -5.887 2.993 255 H TYR 37 H TYR 37 5.569 -0.574 0.795 256 HA TYR 37 HA TYR 37 7.780 0.517 2.482 257 HB2 TYR 37 HB2 TYR 37 5.534 2.159 1.290 258 HB3 TYR 37 HB3 TYR 37 7.062 2.705 1.968 259 HD1 TYR 37 HD1 TYR 37 8.991 0.938 0.481 260 HD2 TYR 37 HD2 TYR 37 5.562 3.195 -0.802 261 HE1 TYR 37 HE1 TYR 37 10.088 1.325 -1.692 262 HE2 TYR 37 HE2 TYR 37 6.615 3.535 -2.996 263 HH TYR 37 HH TYR 37 10.067 2.584 -3.553 264 H HIS 38 H HIS 38 7.254 0.989 4.650 265 HA HIS 38 HA HIS 38 4.533 0.343 5.596 266 HB2 HIS 38 HB2 HIS 38 7.068 -0.146 6.634 267 HB3 HIS 38 HB3 HIS 38 6.516 1.163 7.623 268 HD1 HIS 38 HD1 HIS 38 7.108 -1.532 8.950 269 HD2 HIS 38 HD2 HIS 38 3.336 -0.540 7.295 270 HE1 HIS 38 HE1 HIS 38 5.423 -2.957 10.126 271 H LEU 39 H LEU 39 3.189 1.969 6.150 272 HA LEU 39 HA LEU 39 3.968 4.763 5.741 273 HB2 LEU 39 HB2 LEU 39 1.430 3.664 7.000 274 HB3 LEU 39 HB3 LEU 39 1.678 5.285 6.354 275 HG LEU 39 HG LEU 39 1.578 2.672 4.775 276 HD11 LEU 39 HD11 LEU 39 -0.448 3.727 3.782 277 HD12 LEU 39 HD12 LEU 39 -0.244 5.110 4.905 278 HD13 LEU 39 HD13 LEU 39 -0.584 3.480 5.526 279 HD21 LEU 39 HD21 LEU 39 2.163 5.498 3.795 280 HD22 LEU 39 HD22 LEU 39 1.635 4.165 2.734 281 HD23 LEU 39 HD23 LEU 39 3.154 4.030 3.611 282 H LYS 40 H LYS 40 4.275 6.314 7.335 283 HA LYS 40 HA LYS 40 4.604 5.293 10.127 284 HB2 LYS 40 HB2 LYS 40 6.205 7.548 8.866 285 HB3 LYS 40 HB3 LYS 40 6.508 6.764 10.386 286 HG2 LYS 40 HG2 LYS 40 6.890 5.705 7.598 287 HG3 LYS 40 HG3 LYS 40 8.125 6.082 8.779 288 HD2 LYS 40 HD2 LYS 40 6.221 3.702 8.903 289 HD3 LYS 40 HD3 LYS 40 7.876 3.692 8.395 290 HE2 LYS 40 HE2 LYS 40 7.940 2.833 10.521 291 HE3 LYS 40 HE3 LYS 40 8.548 4.466 10.697 292 HZ1 LYS 40 HZ1 LYS 40 6.974 3.809 12.453 293 HZ2 LYS 40 HZ2 LYS 40 5.758 3.606 11.379 294 HZ3 LYS 40 HZ3 LYS 40 6.378 5.094 11.662 295 H GLU 41 H GLU 41 4.175 8.391 8.389 296 HA GLU 41 HA GLU 41 2.215 9.243 10.453 297 HB2 GLU 41 HB2 GLU 41 3.389 11.288 10.981 298 HB3 GLU 41 HB3 GLU 41 4.436 9.924 11.285 299 HG2 GLU 41 HG2 GLU 41 5.303 10.380 8.817 300 HG3 GLU 41 HG3 GLU 41 4.570 11.961 9.038 301 H LYS 42 H LYS 42 1.427 11.606 9.829 302 HA LYS 42 HA LYS 42 0.809 11.582 6.932 303 HB2 LYS 42 HB2 LYS 42 -0.912 11.623 8.974 304 HB3 LYS 42 HB3 LYS 42 -0.567 13.345 8.979 305 HG2 LYS 42 HG2 LYS 42 -1.425 11.782 6.503 306 HG3 LYS 42 HG3 LYS 42 -2.601 12.481 7.606 307 HD2 LYS 42 HD2 LYS 42 -0.492 14.112 6.262 308 HD3 LYS 42 HD3 LYS 42 -1.983 13.748 5.465 309 HE2 LYS 42 HE2 LYS 42 -3.202 14.880 7.357 310 HE3 LYS 42 HE3 LYS 42 -1.624 15.266 8.064 311 HZ1 LYS 42 HZ1 LYS 42 -1.123 16.499 5.996 312 HZ2 LYS 42 HZ2 LYS 42 -2.474 17.121 6.754 313 HZ3 LYS 42 HZ3 LYS 42 -2.614 16.154 5.433 314 H VAL 43 H VAL 43 1.360 13.411 5.695 315 HA VAL 43 HA VAL 43 2.906 15.575 7.013 316 HB VAL 43 HB VAL 43 4.531 15.517 5.181 317 HG11 VAL 43 HG11 VAL 43 5.812 13.594 5.909 318 HG12 VAL 43 HG12 VAL 43 5.019 14.379 7.297 319 HG13 VAL 43 HG13 VAL 43 4.361 12.864 6.644 320 HG21 VAL 43 HG21 VAL 43 3.223 12.912 4.319 321 HG22 VAL 43 HG22 VAL 43 3.206 14.454 3.423 322 HG23 VAL 43 HG23 VAL 43 4.735 13.617 3.708 323 H ASP 44 H ASP 44 3.358 17.299 5.104 324 HA ASP 44 HA ASP 44 0.650 18.036 4.126 325 HB2 ASP 44 HB2 ASP 44 2.559 19.468 5.596 326 HB3 ASP 44 HB3 ASP 44 2.801 20.070 3.973 327 H GLU 45 H GLU 45 0.653 19.295 2.056 328 HA GLU 45 HA GLU 45 2.023 17.747 -0.024 329 HB2 GLU 45 HB2 GLU 45 0.887 19.034 -1.641 330 HB3 GLU 45 HB3 GLU 45 -0.284 18.591 -0.418 331 HG2 GLU 45 HG2 GLU 45 -0.557 20.807 0.316 332 HG3 GLU 45 HG3 GLU 45 1.043 21.313 -0.217 333 H ASP 46 H ASP 46 2.891 20.313 1.911 334 HA ASP 46 HA ASP 46 4.666 21.674 0.038 335 HB2 ASP 46 HB2 ASP 46 3.170 22.476 2.162 336 HB3 ASP 46 HB3 ASP 46 4.657 22.098 3.030 337 H LYS 47 H LYS 47 4.792 18.795 1.781 338 HA LYS 47 HA LYS 47 7.681 19.007 2.494 339 HB2 LYS 47 HB2 LYS 47 5.849 16.622 2.970 340 HB3 LYS 47 HB3 LYS 47 7.357 17.036 3.791 341 HG2 LYS 47 HG2 LYS 47 4.648 18.379 4.067 342 HG3 LYS 47 HG3 LYS 47 5.509 17.442 5.271 343 HD2 LYS 47 HD2 LYS 47 7.355 19.356 4.885 344 HD3 LYS 47 HD3 LYS 47 5.894 20.259 4.378 345 HE2 LYS 47 HE2 LYS 47 4.810 19.761 6.497 346 HE3 LYS 47 HE3 LYS 47 6.160 18.714 6.994 347 HZ1 LYS 47 HZ1 LYS 47 7.584 20.738 6.775 348 HZ2 LYS 47 HZ2 LYS 47 6.485 20.834 8.004 349 HZ3 LYS 47 HZ3 LYS 47 6.211 21.623 6.594 350 H LYS 48 H LYS 48 5.561 17.562 0.075 351 HA LYS 48 HA LYS 48 7.336 15.399 -0.588 352 HB2 LYS 48 HB2 LYS 48 6.051 15.201 -2.598 353 HB3 LYS 48 HB3 LYS 48 4.924 15.550 -1.281 354 HG2 LYS 48 HG2 LYS 48 5.106 18.004 -2.060 355 HG3 LYS 48 HG3 LYS 48 5.981 17.375 -3.472 356 HD2 LYS 48 HD2 LYS 48 4.138 16.235 -4.301 357 HD3 LYS 48 HD3 LYS 48 3.226 16.354 -2.791 358 HE2 LYS 48 HE2 LYS 48 2.408 17.908 -4.524 359 HE3 LYS 48 HE3 LYS 48 3.007 18.770 -3.098 360 HZ1 LYS 48 HZ1 LYS 48 5.081 19.159 -4.344 361 HZ2 LYS 48 HZ2 LYS 48 3.764 19.828 -5.053 362 HZ3 LYS 48 HZ3 LYS 48 4.416 18.456 -5.676 363 H GLY 49 H GLY 49 9.042 15.256 -1.987 364 HA2 GLY 49 HA2 GLY 49 10.348 17.793 -2.723 365 HA3 GLY 49 HA3 GLY 49 11.015 16.155 -2.809 366 H LYS 50 H LYS 50 9.014 14.853 -4.387 367 HA LYS 50 HA LYS 50 8.289 16.299 -6.766 368 HB2 LYS 50 HB2 LYS 50 9.946 14.989 -8.242 369 HB3 LYS 50 HB3 LYS 50 10.594 16.332 -7.316 370 HG2 LYS 50 HG2 LYS 50 11.420 14.679 -5.578 371 HG3 LYS 50 HG3 LYS 50 10.903 13.372 -6.643 372 HD2 LYS 50 HD2 LYS 50 12.716 15.478 -7.811 373 HD3 LYS 50 HD3 LYS 50 13.391 14.473 -6.521 374 HE2 LYS 50 HE2 LYS 50 12.804 12.430 -7.713 375 HE3 LYS 50 HE3 LYS 50 12.049 13.360 -9.010 376 HZ1 LYS 50 HZ1 LYS 50 14.024 14.010 -9.790 377 HZ2 LYS 50 HZ2 LYS 50 14.510 12.551 -9.140 378 HZ3 LYS 50 HZ3 LYS 50 14.814 13.949 -8.334 379 H VAL 51 H VAL 51 7.287 14.845 -8.368 380 HA VAL 51 HA VAL 51 6.035 12.461 -7.111 381 HB VAL 51 HB VAL 51 5.674 14.012 -9.680 382 HG11 VAL 51 HG11 VAL 51 4.313 11.365 -9.005 383 HG12 VAL 51 HG12 VAL 51 3.806 12.475 -10.296 384 HG13 VAL 51 HG13 VAL 51 5.370 11.690 -10.399 385 HG21 VAL 51 HG21 VAL 51 4.554 14.825 -7.586 386 HG22 VAL 51 HG22 VAL 51 3.410 14.378 -8.855 387 HG23 VAL 51 HG23 VAL 51 3.688 13.253 -7.508 388 H ILE 52 H ILE 52 6.456 10.419 -7.644 389 HA ILE 52 HA ILE 52 8.555 9.872 -9.679 390 HB ILE 52 HB ILE 52 9.408 8.088 -8.242 391 HG12 ILE 52 HG12 ILE 52 7.476 9.164 -6.125 392 HG13 ILE 52 HG13 ILE 52 7.438 7.569 -6.885 393 HG21 ILE 52 HG21 ILE 52 9.439 10.787 -6.811 394 HG22 ILE 52 HG22 ILE 52 10.693 9.528 -6.778 395 HG23 ILE 52 HG23 ILE 52 10.378 10.400 -8.274 396 HD11 ILE 52 HD11 ILE 52 8.367 7.318 -4.706 397 HD12 ILE 52 HD12 ILE 52 9.695 7.095 -5.862 398 HD13 ILE 52 HD13 ILE 52 9.537 8.623 -4.957 399 H GLY 53 H GLY 53 5.525 8.720 -8.071 400 HA2 GLY 53 HA2 GLY 53 4.677 7.494 -10.544 401 HA3 GLY 53 HA3 GLY 53 5.153 6.322 -9.301 402 H ALA 54 H ALA 54 2.606 6.004 -9.732 403 HA ALA 54 HA ALA 54 1.273 7.293 -7.476 404 HB1 ALA 54 HB1 ALA 54 0.009 7.151 -10.257 405 HB2 ALA 54 HB2 ALA 54 -0.709 7.881 -8.821 406 HB3 ALA 54 HB3 ALA 54 0.724 8.620 -9.590 407 H ILE 55 H ILE 55 -0.338 6.034 -6.474 408 HA ILE 55 HA ILE 55 -0.314 3.215 -7.187 409 HB ILE 55 HB ILE 55 -1.870 4.736 -5.072 410 HG12 ILE 55 HG12 ILE 55 0.690 3.096 -4.969 411 HG13 ILE 55 HG13 ILE 55 0.540 4.823 -4.677 412 HG21 ILE 55 HG21 ILE 55 -3.025 2.704 -5.677 413 HG22 ILE 55 HG22 ILE 55 -1.522 1.750 -5.579 414 HG23 ILE 55 HG23 ILE 55 -2.263 2.451 -4.133 415 HD11 ILE 55 HD11 ILE 55 0.775 3.710 -2.566 416 HD12 ILE 55 HD12 ILE 55 -0.869 4.379 -2.667 417 HD13 ILE 55 HD13 ILE 55 -0.557 2.626 -2.873 418 H GLY 56 H GLY 56 -2.834 5.750 -6.898 419 HA2 GLY 56 HA2 GLY 56 -4.744 6.186 -8.023 420 HA3 GLY 56 HA3 GLY 56 -4.035 5.337 -9.391 421 H GLN 57 H GLN 57 -4.316 3.050 -6.856 422 HA GLN 57 HA GLN 57 -6.564 1.820 -8.220 423 HB2 GLN 57 HB2 GLN 57 -5.017 0.908 -5.756 424 HB3 GLN 57 HB3 GLN 57 -6.102 -0.034 -6.770 425 HG2 GLN 57 HG2 GLN 57 -4.386 0.760 -8.702 426 HG3 GLN 57 HG3 GLN 57 -3.274 0.861 -7.325 427 HE21 GLN 57 HE21 GLN 57 -2.105 -1.137 -7.080 428 HE22 GLN 57 HE22 GLN 57 -2.878 -2.705 -7.354 429 H THR 58 H THR 58 -8.427 0.958 -6.973 430 HA THR 58 HA THR 58 -9.110 2.346 -4.511 431 HB THR 58 HB THR 58 -11.100 2.408 -6.779 432 HG1 THR 58 HG1 THR 58 -10.514 4.340 -7.322 433 HG21 THR 58 HG21 THR 58 -10.894 3.945 -4.138 434 HG22 THR 58 HG22 THR 58 -12.014 2.615 -4.490 435 HG23 THR 58 HG23 THR 58 -12.174 4.157 -5.352 436 H PHE 59 H PHE 59 -9.865 0.730 -3.220 437 HA PHE 59 HA PHE 59 -11.325 -1.536 -4.466 438 HB2 PHE 59 HB2 PHE 59 -9.121 -1.692 -2.389 439 HB3 PHE 59 HB3 PHE 59 -10.103 -3.051 -2.909 440 HD1 PHE 59 HD1 PHE 59 -10.128 -3.568 -5.510 441 HD2 PHE 59 HD2 PHE 59 -7.050 -1.315 -3.486 442 HE1 PHE 59 HE1 PHE 59 -8.496 -4.202 -7.260 443 HE2 PHE 59 HE2 PHE 59 -5.413 -2.024 -5.197 444 HZ PHE 59 HZ PHE 59 -6.142 -3.476 -7.088 445 H PHE 60 H PHE 60 -12.342 -2.938 -2.572 446 HA PHE 60 HA PHE 60 -13.177 -1.237 -0.292 447 HB2 PHE 60 HB2 PHE 60 -14.952 -2.968 -2.037 448 HB3 PHE 60 HB3 PHE 60 -15.463 -2.146 -0.570 449 HD1 PHE 60 HD1 PHE 60 -14.436 -1.683 -4.105 450 HD2 PHE 60 HD2 PHE 60 -16.038 0.233 -0.586 451 HE1 PHE 60 HE1 PHE 60 -15.157 0.224 -5.471 452 HE2 PHE 60 HE2 PHE 60 -16.904 2.078 -1.990 453 HZ PHE 60 HZ PHE 60 -16.453 2.099 -4.404 454 H VAL 61 H VAL 61 -13.814 -2.464 1.594 455 HA VAL 61 HA VAL 61 -13.538 -5.364 1.474 456 HB VAL 61 HB VAL 61 -12.204 -5.430 3.463 457 HG11 VAL 61 HG11 VAL 61 -10.078 -5.010 2.499 458 HG12 VAL 61 HG12 VAL 61 -11.149 -5.657 1.264 459 HG13 VAL 61 HG13 VAL 61 -10.766 -3.914 1.273 460 HG21 VAL 61 HG21 VAL 61 -10.904 -3.479 4.214 461 HG22 VAL 61 HG22 VAL 61 -11.845 -2.440 3.114 462 HG23 VAL 61 HG23 VAL 61 -12.645 -3.305 4.458 463 H ASP 62 H ASP 62 -14.399 -6.282 3.630 464 HA ASP 62 HA ASP 62 -16.774 -4.751 4.495 465 HB2 ASP 62 HB2 ASP 62 -17.679 -6.948 5.050 466 HB3 ASP 62 HB3 ASP 62 -17.172 -6.916 3.376 467 H GLY 63 H GLY 63 -17.326 -6.076 6.830 468 HA2 GLY 63 HA2 GLY 63 -15.738 -4.681 8.733 469 HA3 GLY 63 HA3 GLY 63 -16.912 -5.960 9.050 470 H ASP 64 H ASP 64 -15.376 -7.862 7.171 471 HA ASP 64 HA ASP 64 -13.530 -8.835 9.227 472 HB2 ASP 64 HB2 ASP 64 -15.167 -10.308 7.923 473 HB3 ASP 64 HB3 ASP 64 -14.158 -10.038 6.518 474 H GLY 65 H GLY 65 -13.417 -7.148 6.194 475 HA2 GLY 65 HA2 GLY 65 -11.553 -5.857 5.492 476 HA3 GLY 65 HA3 GLY 65 -10.443 -6.950 6.317 477 H LYS 66 H LYS 66 -13.024 -8.447 4.547 478 HA LYS 66 HA LYS 66 -11.114 -9.737 2.745 479 HB2 LYS 66 HB2 LYS 66 -14.129 -9.931 3.146 480 HB3 LYS 66 HB3 LYS 66 -13.253 -10.906 1.971 481 HG2 LYS 66 HG2 LYS 66 -12.392 -10.955 4.880 482 HG3 LYS 66 HG3 LYS 66 -13.819 -11.835 4.355 483 HD2 LYS 66 HD2 LYS 66 -12.026 -13.368 4.326 484 HD3 LYS 66 HD3 LYS 66 -12.457 -13.029 2.642 485 HE2 LYS 66 HE2 LYS 66 -10.512 -11.537 2.409 486 HE3 LYS 66 HE3 LYS 66 -10.136 -11.724 4.136 487 HZ1 LYS 66 HZ1 LYS 66 -9.819 -14.108 3.678 488 HZ2 LYS 66 HZ2 LYS 66 -8.777 -13.168 2.830 489 HZ3 LYS 66 HZ3 LYS 66 -10.076 -13.854 2.082 490 H ARG 67 H ARG 67 -10.780 -9.258 0.649 491 HA ARG 67 HA ARG 67 -11.678 -6.801 -0.462 492 HB2 ARG 67 HB2 ARG 67 -10.203 -9.242 -1.401 493 HB3 ARG 67 HB3 ARG 67 -10.891 -8.248 -2.648 494 HG2 ARG 67 HG2 ARG 67 -9.169 -7.129 -0.391 495 HG3 ARG 67 HG3 ARG 67 -8.492 -7.670 -1.922 496 HD2 ARG 67 HD2 ARG 67 -10.279 -5.289 -1.366 497 HD3 ARG 67 HD3 ARG 67 -8.692 -5.314 -2.144 498 HE ARG 67 HE ARG 67 -11.235 -5.431 -3.372 499 HH11 ARG 67 HH11 ARG 67 -8.293 -7.449 -3.756 500 HH12 ARG 67 HH12 ARG 67 -8.690 -7.797 -5.371 501 HH21 ARG 67 HH21 ARG 67 -11.615 -5.920 -5.479 502 HH22 ARG 67 HH22 ARG 67 -10.546 -6.904 -6.422 503 H TRP 68 H TRP 68 -13.546 -6.234 -1.198 504 HA TRP 68 HA TRP 68 -15.730 -8.090 -1.559 505 HB2 TRP 68 HB2 TRP 68 -15.297 -5.178 -2.234 506 HB3 TRP 68 HB3 TRP 68 -16.676 -6.029 -2.882 507 HD1 TRP 68 HD1 TRP 68 -15.342 -5.735 0.759 508 HE1 TRP 68 HE1 TRP 68 -17.343 -5.269 2.291 509 HE3 TRP 68 HE3 TRP 68 -19.070 -5.786 -2.742 510 HZ2 TRP 68 HZ2 TRP 68 -20.228 -5.230 2.065 511 HZ3 TRP 68 HZ3 TRP 68 -21.439 -5.559 -2.027 512 HH2 TRP 68 HH2 TRP 68 -22.004 -5.270 0.346 513 H SER 69 H SER 69 -16.230 -9.262 -3.300 514 HA SER 69 HA SER 69 -14.588 -9.369 -5.662 515 HB2 SER 69 HB2 SER 69 -17.288 -10.549 -4.866 516 HB3 SER 69 HB3 SER 69 -16.543 -10.870 -6.436 517 HG SER 69 HG SER 69 -16.087 -12.332 -4.454 518 H GLU 70 H GLU 70 -15.197 -8.629 -7.860 519 HA GLU 70 HA GLU 70 -16.381 -6.062 -7.893 520 HB2 GLU 70 HB2 GLU 70 -15.841 -7.981 -10.200 521 HB3 GLU 70 HB3 GLU 70 -16.216 -6.241 -10.344 522 HG2 GLU 70 HG2 GLU 70 -14.260 -5.716 -8.876 523 HG3 GLU 70 HG3 GLU 70 -13.826 -7.428 -8.845 524 H GLU 71 H GLU 71 -17.801 -9.236 -8.390 525 HA GLU 71 HA GLU 71 -20.276 -8.330 -9.513 526 HB2 GLU 71 HB2 GLU 71 -19.543 -10.797 -7.893 527 HB3 GLU 71 HB3 GLU 71 -21.079 -10.563 -8.770 528 HG2 GLU 71 HG2 GLU 71 -19.746 -10.269 -10.877 529 HG3 GLU 71 HG3 GLU 71 -18.276 -10.623 -9.954 530 H GLU 72 H GLU 72 -19.189 -8.999 -6.160 531 HA GLU 72 HA GLU 72 -21.670 -8.362 -4.911 532 HB2 GLU 72 HB2 GLU 72 -18.804 -8.089 -3.865 533 HB3 GLU 72 HB3 GLU 72 -20.247 -7.982 -2.870 534 HG2 GLU 72 HG2 GLU 72 -19.510 -10.449 -4.516 535 HG3 GLU 72 HG3 GLU 72 -19.121 -10.219 -2.814 536 H LEU 73 H LEU 73 -19.091 -6.338 -6.196 537 HA LEU 73 HA LEU 73 -20.078 -3.882 -4.976 538 HB2 LEU 73 HB2 LEU 73 -18.063 -4.342 -7.212 539 HB3 LEU 73 HB3 LEU 73 -18.410 -2.777 -6.495 540 HG LEU 73 HG LEU 73 -17.318 -5.152 -4.935 541 HD11 LEU 73 HD11 LEU 73 -15.941 -2.676 -6.035 542 HD12 LEU 73 HD12 LEU 73 -15.697 -4.354 -6.565 543 HD13 LEU 73 HD13 LEU 73 -15.221 -3.873 -4.925 544 HD21 LEU 73 HD21 LEU 73 -17.718 -2.242 -4.173 545 HD22 LEU 73 HD22 LEU 73 -16.868 -3.462 -3.192 546 HD23 LEU 73 HD23 LEU 73 -18.587 -3.645 -3.500 547 H LYS 74 H LYS 74 -21.033 -5.663 -7.751 548 HA LYS 74 HA LYS 74 -22.300 -3.229 -8.944 549 HB2 LYS 74 HB2 LYS 74 -22.130 -4.157 -11.031 550 HB3 LYS 74 HB3 LYS 74 -20.660 -4.758 -10.268 551 HG2 LYS 74 HG2 LYS 74 -22.109 -6.868 -9.679 552 HG3 LYS 74 HG3 LYS 74 -23.255 -6.245 -10.837 553 HD2 LYS 74 HD2 LYS 74 -21.415 -6.272 -12.551 554 HD3 LYS 74 HD3 LYS 74 -20.354 -6.967 -11.318 555 HE2 LYS 74 HE2 LYS 74 -21.184 -8.820 -12.581 556 HE3 LYS 74 HE3 LYS 74 -22.011 -8.863 -11.028 557 HZ1 LYS 74 HZ1 LYS 74 -23.960 -7.967 -12.042 558 HZ2 LYS 74 HZ2 LYS 74 -23.460 -9.245 -12.925 559 HZ3 LYS 74 HZ3 LYS 74 -23.190 -7.734 -13.497 560 H GLU 75 H GLU 75 -23.039 -6.029 -7.145 561 HA GLU 75 HA GLU 75 -25.658 -6.647 -8.096 562 HB2 GLU 75 HB2 GLU 75 -24.042 -7.158 -5.623 563 HB3 GLU 75 HB3 GLU 75 -25.725 -7.539 -5.546 564 HG2 GLU 75 HG2 GLU 75 -23.882 -8.615 -7.723 565 HG3 GLU 75 HG3 GLU 75 -24.257 -9.450 -6.224 566 HA PRO 76 HA PRO 76 -28.064 -3.456 -6.274 567 HB2 PRO 76 HB2 PRO 76 -30.434 -4.626 -5.550 568 HB3 PRO 76 HB3 PRO 76 -29.896 -4.429 -7.245 569 HG2 PRO 76 HG2 PRO 76 -29.839 -6.896 -5.536 570 HG3 PRO 76 HG3 PRO 76 -30.161 -6.748 -7.289 571 HD2 PRO 76 HD2 PRO 76 -27.737 -7.447 -6.047 572 HD3 PRO 76 HD3 PRO 76 -27.838 -6.942 -7.744 573 H TYR 77 H TYR 77 -28.412 -2.369 -4.468 574 HA TYR 77 HA TYR 77 -27.379 -3.340 -1.935 575 HB2 TYR 77 HB2 TYR 77 -28.765 -0.679 -2.432 576 HB3 TYR 77 HB3 TYR 77 -27.472 -1.053 -1.294 577 HD1 TYR 77 HD2 TYR 77 -25.187 -1.732 -2.282 578 HD2 TYR 77 HD1 TYR 77 -28.316 0.015 -4.674 579 HE1 TYR 77 HE2 TYR 77 -23.540 -1.234 -4.068 580 HE2 TYR 77 HE1 TYR 77 -26.736 0.370 -6.502 581 HH TYR 77 HH TYR 77 -24.519 -0.316 -7.269 582 H ILE 78 H ILE 78 -30.503 -2.777 -3.356 583 HA ILE 78 HA ILE 78 -31.897 -3.000 -0.734 584 HB ILE 78 HB ILE 78 -33.927 -2.390 -1.917 585 HG12 ILE 78 HG12 ILE 78 -32.223 -1.953 -4.417 586 HG13 ILE 78 HG13 ILE 78 -33.371 -3.275 -4.186 587 HG21 ILE 78 HG21 ILE 78 -31.674 -0.406 -2.458 588 HG22 ILE 78 HG22 ILE 78 -33.384 -0.032 -2.150 589 HG23 ILE 78 HG23 ILE 78 -32.389 -0.713 -0.865 590 HD11 ILE 78 HD11 ILE 78 -34.442 -1.589 -5.505 591 HD12 ILE 78 HD12 ILE 78 -35.215 -1.623 -3.908 592 HD13 ILE 78 HD13 ILE 78 -34.067 -0.325 -4.325 593 H SER 79 H SER 79 -33.129 -4.720 -0.201 594 HA SER 79 HA SER 79 -33.785 -6.852 -2.030 595 HB2 SER 79 HB2 SER 79 -31.398 -7.310 -1.418 596 HB3 SER 79 HB3 SER 79 -31.853 -7.332 0.293 597 HG SER 79 HG SER 79 -31.718 -9.370 -1.058 598 H ASN 80 H ASN 80 -34.568 -8.665 -0.218 599 HA ASN 80 HA ASN 80 -36.631 -7.232 1.435 600 HB2 ASN 80 HB2 ASN 80 -36.644 -10.010 0.179 601 HB3 ASN 80 HB3 ASN 80 -37.829 -9.463 1.355 602 HD21 ASN 80 HD21 ASN 80 -36.694 -8.916 -1.998 603 HD22 ASN 80 HD22 ASN 80 -38.143 -8.009 -2.421 604 H ASN 81 H ASN 81 -33.646 -8.138 2.107 605 HA ASN 81 HA ASN 81 -34.348 -9.052 4.785 606 HB2 ASN 81 HB2 ASN 81 -33.997 -11.178 3.748 607 HB3 ASN 81 HB3 ASN 81 -32.491 -10.616 2.982 608 HD21 ASN 81 HD21 ASN 81 -31.108 -12.145 4.101 609 HD22 ASN 81 HD22 ASN 81 -30.853 -12.014 5.827 610 HA PRO 82 HA PRO 82 -31.098 -5.848 4.888 611 HB2 PRO 82 HB2 PRO 82 -31.308 -5.189 7.546 612 HB3 PRO 82 HB3 PRO 82 -32.469 -4.645 6.278 613 HG2 PRO 82 HG2 PRO 82 -32.729 -6.981 8.192 614 HG3 PRO 82 HG3 PRO 82 -33.946 -5.716 7.824 615 HD2 PRO 82 HD2 PRO 82 -33.970 -8.162 6.630 616 HD3 PRO 82 HD3 PRO 82 -34.439 -6.698 5.710 617 H ASP 83 H ASP 83 -31.090 -8.957 6.396 618 HA ASP 83 HA ASP 83 -28.502 -8.612 7.775 619 HB2 ASP 83 HB2 ASP 83 -30.338 -9.953 8.661 620 HB3 ASP 83 HB3 ASP 83 -30.292 -11.008 7.260 621 H GLU 84 H GLU 84 -29.707 -9.575 4.719 622 HA GLU 84 HA GLU 84 -27.504 -11.234 3.816 623 HB2 GLU 84 HB2 GLU 84 -29.997 -10.072 2.666 624 HB3 GLU 84 HB3 GLU 84 -28.718 -10.302 1.500 625 HG2 GLU 84 HG2 GLU 84 -29.598 -12.521 3.375 626 HG3 GLU 84 HG3 GLU 84 -30.352 -12.233 1.803 627 H ILE 85 H ILE 85 -27.657 -7.870 4.322 628 HA ILE 85 HA ILE 85 -25.596 -7.340 2.242 629 HB ILE 85 HB ILE 85 -26.153 -4.991 2.496 630 HG12 ILE 85 HG12 ILE 85 -28.550 -5.799 4.182 631 HG13 ILE 85 HG13 ILE 85 -27.069 -5.151 4.892 632 HG21 ILE 85 HG21 ILE 85 -28.274 -5.107 1.264 633 HG22 ILE 85 HG22 ILE 85 -27.264 -6.474 0.806 634 HG23 ILE 85 HG23 ILE 85 -28.614 -6.732 1.926 635 HD11 ILE 85 HD11 ILE 85 -27.337 -3.071 3.560 636 HD12 ILE 85 HD12 ILE 85 -28.891 -3.689 2.946 637 HD13 ILE 85 HD13 ILE 85 -28.684 -3.376 4.675 638 H ARG 86 H ARG 86 -23.612 -6.458 2.806 639 HA ARG 86 HA ARG 86 -22.963 -6.418 5.710 640 HB2 ARG 86 HB2 ARG 86 -22.140 -8.279 3.871 641 HB3 ARG 86 HB3 ARG 86 -20.822 -7.119 3.745 642 HG2 ARG 86 HG2 ARG 86 -20.236 -7.444 6.070 643 HG3 ARG 86 HG3 ARG 86 -21.785 -8.224 6.415 644 HD2 ARG 86 HD2 ARG 86 -20.015 -9.882 6.385 645 HD3 ARG 86 HD3 ARG 86 -21.195 -10.196 5.122 646 HE ARG 86 HE ARG 86 -18.366 -9.367 4.830 647 HH11 ARG 86 HH11 ARG 86 -21.319 -10.522 3.103 648 HH12 ARG 86 HH12 ARG 86 -20.678 -10.076 1.560 649 HH21 ARG 86 HH21 ARG 86 -17.534 -9.059 2.719 650 HH22 ARG 86 HH22 ARG 86 -18.582 -9.205 1.332 651 H GLU 87 H GLU 87 -21.024 -5.074 6.237 652 HA GLU 87 HA GLU 87 -21.393 -2.447 5.139 653 HB2 GLU 87 HB2 GLU 87 -19.660 -1.718 6.667 654 HB3 GLU 87 HB3 GLU 87 -20.847 -2.745 7.479 655 HG2 GLU 87 HG2 GLU 87 -19.201 -4.671 7.096 656 HG3 GLU 87 HG3 GLU 87 -18.016 -3.446 6.635 657 H LYS 88 H LYS 88 -19.722 -1.093 4.127 658 HA LYS 88 HA LYS 88 -17.653 -2.620 2.623 659 HB2 LYS 88 HB2 LYS 88 -19.833 -2.514 1.407 660 HB3 LYS 88 HB3 LYS 88 -19.688 -0.752 1.418 661 HG2 LYS 88 HG2 LYS 88 -17.708 -0.843 0.069 662 HG3 LYS 88 HG3 LYS 88 -17.610 -2.602 0.213 663 HD2 LYS 88 HD2 LYS 88 -18.482 -1.979 -1.956 664 HD3 LYS 88 HD3 LYS 88 -19.711 -2.842 -1.028 665 HE2 LYS 88 HE2 LYS 88 -21.111 -1.199 -1.546 666 HE3 LYS 88 HE3 LYS 88 -20.219 -0.171 -0.416 667 HZ1 LYS 88 HZ1 LYS 88 -20.015 -0.342 -3.328 668 HZ2 LYS 88 HZ2 LYS 88 -18.807 0.382 -2.447 669 HZ3 LYS 88 HZ3 LYS 88 -20.337 0.973 -2.396 670 H LYS 89 H LYS 89 -15.883 -1.678 3.433 671 HA LYS 89 HA LYS 89 -15.569 1.161 3.955 672 HB2 LYS 89 HB2 LYS 89 -13.748 -1.249 4.212 673 HB3 LYS 89 HB3 LYS 89 -13.316 0.375 4.753 674 HG2 LYS 89 HG2 LYS 89 -15.012 0.359 6.458 675 HG3 LYS 89 HG3 LYS 89 -15.780 -1.084 5.777 676 HD2 LYS 89 HD2 LYS 89 -13.374 -2.175 6.217 677 HD3 LYS 89 HD3 LYS 89 -13.260 -0.903 7.428 678 HE2 LYS 89 HE2 LYS 89 -15.605 -2.818 7.060 679 HE3 LYS 89 HE3 LYS 89 -14.254 -3.147 8.158 680 HZ1 LYS 89 HZ1 LYS 89 -15.821 -0.662 8.437 681 HZ2 LYS 89 HZ2 LYS 89 -14.887 -1.456 9.554 682 HZ3 LYS 89 HZ3 LYS 89 -16.354 -2.043 9.095 683 HA PRO 90 HA PRO 90 -13.722 1.298 -0.278 684 HB2 PRO 90 HB2 PRO 90 -13.789 4.011 -0.634 685 HB3 PRO 90 HB3 PRO 90 -15.252 2.996 -0.783 686 HG2 PRO 90 HG2 PRO 90 -14.387 4.637 1.569 687 HG3 PRO 90 HG3 PRO 90 -16.019 4.482 0.875 688 HD2 PRO 90 HD2 PRO 90 -15.195 3.057 3.097 689 HD3 PRO 90 HD3 PRO 90 -16.399 2.472 1.915 690 H LEU 91 H LEU 91 -11.600 1.577 -0.836 691 HA LEU 91 HA LEU 91 -9.654 2.985 0.957 692 HB2 LEU 91 HB2 LEU 91 -9.249 0.448 -0.673 693 HB3 LEU 91 HB3 LEU 91 -8.078 1.216 0.384 694 HG LEU 91 HG LEU 91 -10.688 -0.089 1.278 695 HD11 LEU 91 HD11 LEU 91 -7.816 -1.079 1.391 696 HD12 LEU 91 HD12 LEU 91 -9.121 -1.696 0.354 697 HD13 LEU 91 HD13 LEU 91 -9.227 -1.888 2.113 698 HD21 LEU 91 HD21 LEU 91 -9.801 0.050 3.556 699 HD22 LEU 91 HD22 LEU 91 -9.957 1.670 2.879 700 HD23 LEU 91 HD23 LEU 91 -8.359 0.897 2.987 701 H ARG 92 H ARG 92 -9.267 4.825 -0.225 702 HA ARG 92 HA ARG 92 -9.091 4.667 -3.206 703 HB2 ARG 92 HB2 ARG 92 -9.570 7.041 -1.369 704 HB3 ARG 92 HB3 ARG 92 -9.513 7.096 -3.120 705 HG2 ARG 92 HG2 ARG 92 -11.640 6.278 -3.374 706 HG3 ARG 92 HG3 ARG 92 -11.518 5.174 -2.000 707 HD2 ARG 92 HD2 ARG 92 -11.671 7.123 -0.451 708 HD3 ARG 92 HD3 ARG 92 -11.975 8.174 -1.850 709 HE ARG 92 HE ARG 92 -13.912 6.445 -2.256 710 HH11 ARG 92 HH11 ARG 92 -13.002 7.975 0.899 711 HH12 ARG 92 HH12 ARG 92 -14.523 7.635 1.597 712 HH21 ARG 92 HH21 ARG 92 -15.959 6.261 -1.340 713 HH22 ARG 92 HH22 ARG 92 -16.309 6.867 0.248 714 H TYR 93 H TYR 93 -6.963 4.264 -3.732 715 HA TYR 93 HA TYR 93 -4.839 5.402 -2.055 716 HB2 TYR 93 HB2 TYR 93 -4.717 3.614 -4.489 717 HB3 TYR 93 HB3 TYR 93 -3.368 4.221 -3.524 718 HD1 TYR 93 HD2 TYR 93 -6.376 2.014 -3.369 719 HD2 TYR 93 HD1 TYR 93 -2.660 3.209 -1.517 720 HE1 TYR 93 HE2 TYR 93 -6.658 0.245 -1.620 721 HE2 TYR 93 HE1 TYR 93 -2.890 1.424 0.110 722 HH TYR 93 HH TYR 93 -4.222 -0.202 1.012 723 H GLY 94 H GLY 94 -3.261 6.903 -2.721 724 HA2 GLY 94 HA2 GLY 94 -3.898 8.693 -4.802 725 HA3 GLY 94 HA3 GLY 94 -3.151 8.784 -3.226 726 H LYS 95 H LYS 95 -2.040 10.057 -5.453 727 HA LYS 95 HA LYS 95 -0.013 8.503 -6.787 728 HB2 LYS 95 HB2 LYS 95 -0.927 10.541 -7.749 729 HB3 LYS 95 HB3 LYS 95 -0.414 11.470 -6.369 730 HG2 LYS 95 HG2 LYS 95 1.865 11.362 -6.911 731 HG3 LYS 95 HG3 LYS 95 1.592 10.068 -8.101 732 HD2 LYS 95 HD2 LYS 95 0.157 12.702 -8.473 733 HD3 LYS 95 HD3 LYS 95 1.880 12.621 -8.852 734 HE2 LYS 95 HE2 LYS 95 1.602 10.846 -10.428 735 HE3 LYS 95 HE3 LYS 95 -0.075 10.578 -9.927 736 HZ1 LYS 95 HZ1 LYS 95 0.811 13.079 -11.204 737 HZ2 LYS 95 HZ2 LYS 95 -0.734 12.569 -10.852 738 HZ3 LYS 95 HZ3 LYS 95 0.163 11.773 -11.990 739 H VAL 96 H VAL 96 2.364 8.817 -6.431 740 HA VAL 96 HA VAL 96 3.030 9.077 -3.569 741 HB VAL 96 HB VAL 96 4.280 7.355 -5.751 742 HG11 VAL 96 HG11 VAL 96 5.460 6.212 -3.915 743 HG12 VAL 96 HG12 VAL 96 5.965 7.887 -4.039 744 HG13 VAL 96 HG13 VAL 96 4.825 7.404 -2.758 745 HG21 VAL 96 HG21 VAL 96 2.083 6.471 -5.164 746 HG22 VAL 96 HG22 VAL 96 3.344 5.465 -4.457 747 HG23 VAL 96 HG23 VAL 96 2.457 6.601 -3.430 748 H TYR 97 H TYR 97 5.040 9.970 -3.033 749 HA TYR 97 HA TYR 97 6.382 11.618 -5.101 750 HB2 TYR 97 HB2 TYR 97 5.756 12.528 -2.263 751 HB3 TYR 97 HB3 TYR 97 6.307 13.466 -3.628 752 HD1 TYR 97 HD1 TYR 97 4.799 14.101 -5.408 753 HD2 TYR 97 HD2 TYR 97 3.337 11.971 -1.967 754 HE1 TYR 97 HE1 TYR 97 2.431 14.714 -6.007 755 HE2 TYR 97 HE2 TYR 97 0.990 12.509 -2.540 756 HH TYR 97 HH TYR 97 -0.311 13.375 -4.424 757 H SER 98 H SER 98 8.427 12.449 -4.192 758 HA SER 98 HA SER 98 9.977 10.406 -2.717 759 HB2 SER 98 HB2 SER 98 10.816 11.160 -4.896 760 HB3 SER 98 HB3 SER 98 10.642 12.855 -4.411 761 HG SER 98 HG SER 98 12.341 12.580 -2.940 762 H THR 99 H THR 99 11.381 11.156 -1.021 763 HA THR 99 HA THR 99 10.280 13.287 0.679 764 HB THR 99 HB THR 99 12.083 12.253 2.184 765 HG1 THR 99 HG1 THR 99 12.224 9.944 0.660 766 HG21 THR 99 HG21 THR 99 9.677 11.658 2.273 767 HG22 THR 99 HG22 THR 99 10.769 10.360 2.743 768 HG23 THR 99 HG23 THR 99 9.988 10.328 1.149 769 H ASN 100 H ASN 100 12.412 14.401 1.888 770 HA ASN 100 HA ASN 100 13.661 15.922 -0.251 771 HB2 ASN 100 HB2 ASN 100 13.603 16.103 2.761 772 HB3 ASN 100 HB3 ASN 100 14.945 16.858 1.949 773 HD21 ASN 100 HD21 ASN 100 13.238 17.735 -0.534 774 HD22 ASN 100 HD22 ASN 100 12.277 19.016 0.168 775 H GLU 101 H GLU 101 14.300 12.889 0.290 776 HA GLU 101 HA GLU 101 17.004 12.609 1.006 777 HB2 GLU 101 HB2 GLU 101 16.935 10.443 0.222 778 HB3 GLU 101 HB3 GLU 101 15.311 10.785 0.839 779 HG2 GLU 101 HG2 GLU 101 14.706 11.468 -1.504 780 HG3 GLU 101 HG3 GLU 101 16.307 10.883 -1.992 781 H ASP 102 H ASP 102 15.530 13.240 -2.016 782 HA ASP 102 HA ASP 102 16.216 13.858 -4.126 783 HB2 ASP 102 HB2 ASP 102 16.569 15.825 -2.314 784 HB3 ASP 102 HB3 ASP 102 18.218 15.684 -2.865 785 H SER 103 H SER 103 17.904 11.623 -2.815 786 HA SER 103 HA SER 103 20.276 11.749 -4.589 787 HB2 SER 103 HB2 SER 103 20.056 10.557 -1.789 788 HB3 SER 103 HB3 SER 103 21.509 10.615 -2.805 789 HG SER 103 HG SER 103 20.081 12.741 -1.587 790 H ASP 104 H ASP 104 21.195 9.283 -4.626 791 HA ASP 104 HA ASP 104 19.177 7.897 -6.087 792 HB2 ASP 104 HB2 ASP 104 22.062 7.361 -5.418 793 HB3 ASP 104 HB3 ASP 104 21.076 5.995 -5.929 794 H ALA 105 H ALA 105 19.824 7.820 -2.774 795 HA ALA 105 HA ALA 105 19.485 5.330 -1.862 796 HB1 ALA 105 HB1 ALA 105 18.437 6.345 0.135 797 HB2 ALA 105 HB2 ALA 105 19.788 7.326 -0.474 798 HB3 ALA 105 HB3 ALA 105 18.115 7.828 -0.786 799 H LYS 106 H LYS 106 16.517 7.357 -2.438 800 HA LYS 106 HA LYS 106 14.365 6.789 -2.640 801 HB2 LYS 106 HB2 LYS 106 15.494 4.687 -4.534 802 HB3 LYS 106 HB3 LYS 106 13.786 5.137 -4.393 803 HG2 LYS 106 HG2 LYS 106 14.537 7.557 -4.811 804 HG3 LYS 106 HG3 LYS 106 16.077 6.872 -5.353 805 HD2 LYS 106 HD2 LYS 106 14.678 5.438 -6.971 806 HD3 LYS 106 HD3 LYS 106 13.280 6.419 -6.499 807 HE2 LYS 106 HE2 LYS 106 15.843 7.415 -7.798 808 HE3 LYS 106 HE3 LYS 106 14.286 7.222 -8.598 809 HZ1 LYS 106 HZ1 LYS 106 13.400 8.957 -7.162 810 HZ2 LYS 106 HZ2 LYS 106 14.724 9.526 -7.931 811 HZ3 LYS 106 HZ3 LYS 106 14.821 9.092 -6.366 812 H ASP 107 H ASP 107 15.377 6.001 -0.317 813 HA ASP 107 HA ASP 107 14.028 3.380 0.120 814 HB2 ASP 107 HB2 ASP 107 15.302 2.754 1.872 815 HB3 ASP 107 HB3 ASP 107 16.372 3.245 0.585 816 H GLU 108 H GLU 108 13.535 6.706 0.599 817 HA GLU 108 HA GLU 108 11.219 5.974 2.334 818 HB2 GLU 108 HB2 GLU 108 13.476 7.841 2.903 819 HB3 GLU 108 HB3 GLU 108 11.879 8.540 3.055 820 HG2 GLU 108 HG2 GLU 108 11.266 6.444 4.530 821 HG3 GLU 108 HG3 GLU 108 13.016 6.174 4.568 822 H ILE 109 H ILE 109 9.350 6.894 1.624 823 HA ILE 109 HA ILE 109 9.346 9.021 -0.433 824 HB ILE 109 HB ILE 109 7.905 7.617 -1.879 825 HG12 ILE 109 HG12 ILE 109 8.363 4.994 -1.271 826 HG13 ILE 109 HG13 ILE 109 8.220 5.639 0.350 827 HG21 ILE 109 HG21 ILE 109 10.326 7.777 -2.324 828 HG22 ILE 109 HG22 ILE 109 10.571 6.253 -1.437 829 HG23 ILE 109 HG23 ILE 109 9.589 6.268 -2.903 830 HD11 ILE 109 HD11 ILE 109 6.175 5.580 -1.831 831 HD12 ILE 109 HD12 ILE 109 6.063 5.129 -0.120 832 HD13 ILE 109 HD13 ILE 109 6.041 6.820 -0.576 833 H ILE 110 H ILE 110 6.948 9.566 -0.906 834 HA ILE 110 HA ILE 110 5.318 9.366 1.570 835 HB ILE 110 HB ILE 110 5.272 11.707 -0.325 836 HG12 ILE 110 HG12 ILE 110 7.207 11.192 1.951 837 HG13 ILE 110 HG13 ILE 110 7.577 11.621 0.277 838 HG21 ILE 110 HG21 ILE 110 3.401 11.316 1.308 839 HG22 ILE 110 HG22 ILE 110 4.587 11.473 2.620 840 HG23 ILE 110 HG23 ILE 110 4.251 12.845 1.530 841 HD11 ILE 110 HD11 ILE 110 6.523 13.399 2.443 842 HD12 ILE 110 HD12 ILE 110 8.019 13.534 1.506 843 HD13 ILE 110 HD13 ILE 110 6.458 13.844 0.706 844 H VAL 111 H VAL 111 3.640 8.117 1.234 845 HA VAL 111 HA VAL 111 2.374 7.759 -1.427 846 HB VAL 111 HB VAL 111 1.883 6.367 1.236 847 HG11 VAL 111 HG11 VAL 111 0.830 4.616 -0.123 848 HG12 VAL 111 HG12 VAL 111 0.051 6.125 -0.487 849 HG13 VAL 111 HG13 VAL 111 1.261 5.520 -1.612 850 HG21 VAL 111 HG21 VAL 111 3.693 5.432 -0.963 851 HG22 VAL 111 HG22 VAL 111 4.172 5.980 0.675 852 HG23 VAL 111 HG23 VAL 111 3.218 4.526 0.508 853 H GLU 112 H GLU 112 0.278 8.647 -1.859 854 HA GLU 112 HA GLU 112 -1.039 10.099 0.318 855 HB2 GLU 112 HB2 GLU 112 -1.053 11.067 -1.796 856 HB3 GLU 112 HB3 GLU 112 -1.653 9.715 -2.546 857 HG2 GLU 112 HG2 GLU 112 -3.785 10.234 -0.814 858 HG3 GLU 112 HG3 GLU 112 -3.090 11.809 -0.860 859 H PHE 113 H PHE 113 -3.082 9.337 1.318 860 HA PHE 113 HA PHE 113 -4.446 7.080 0.112 861 HB2 PHE 113 HB2 PHE 113 -2.855 6.308 2.091 862 HB3 PHE 113 HB3 PHE 113 -4.033 7.053 3.122 863 HD1 PHE 113 HD2 PHE 113 -5.338 5.326 0.043 864 HD2 PHE 113 HD1 PHE 113 -4.177 4.778 4.177 865 HE1 PHE 113 HE2 PHE 113 -6.466 3.239 0.034 866 HE2 PHE 113 HE1 PHE 113 -5.264 2.563 4.119 867 HZ PHE 113 HZ PHE 113 -6.517 1.817 2.101 868 H ASN 114 H ASN 114 -6.630 7.302 0.261 869 HA ASN 114 HA ASN 114 -8.574 8.396 0.459 870 HB2 ASN 114 HB2 ASN 114 -7.818 8.542 3.395 871 HB3 ASN 114 HB3 ASN 114 -9.439 8.521 2.733 872 HD21 ASN 114 HD21 ASN 114 -9.756 6.352 1.165 873 HD22 ASN 114 HD22 ASN 114 -9.131 4.914 2.015 874 H ARG 115 H ARG 115 -6.504 10.214 -0.312 875 HA ARG 115 HA ARG 115 -6.374 12.337 -0.899 876 HB2 ARG 115 HB2 ARG 115 -8.623 13.113 0.983 877 HB3 ARG 115 HB3 ARG 115 -7.951 14.055 -0.331 878 HG2 ARG 115 HG2 ARG 115 -9.520 11.455 -0.616 879 HG3 ARG 115 HG3 ARG 115 -10.055 13.072 -1.023 880 HD2 ARG 115 HD2 ARG 115 -7.825 11.488 -2.378 881 HD3 ARG 115 HD3 ARG 115 -9.407 11.852 -3.050 882 HE ARG 115 HE ARG 115 -7.094 13.540 -3.111 883 HH11 ARG 115 HH11 ARG 115 -10.633 13.679 -2.918 884 HH12 ARG 115 HH12 ARG 115 -10.748 15.274 -3.560 885 HH21 ARG 115 HH21 ARG 115 -7.248 15.566 -4.124 886 HH22 ARG 115 HH22 ARG 115 -8.810 16.180 -4.602 887 H GLU 116 H GLU 116 -4.997 11.167 1.719 888 HA GLU 116 HA GLU 116 -3.873 13.801 2.381 889 HB2 GLU 116 HB2 GLU 116 -4.964 11.637 4.172 890 HB3 GLU 116 HB3 GLU 116 -3.519 12.466 4.705 891 HG2 GLU 116 HG2 GLU 116 -6.152 13.812 3.962 892 HG3 GLU 116 HG3 GLU 116 -5.568 13.507 5.598 893 H TYR 117 H TYR 117 -1.689 13.799 2.821 894 HA TYR 117 HA TYR 117 -0.237 11.636 1.394 895 HB2 TYR 117 HB2 TYR 117 0.723 14.329 2.391 896 HB3 TYR 117 HB3 TYR 117 1.686 13.158 1.497 897 HD1 TYR 117 HD1 TYR 117 -1.508 12.976 -0.063 898 HD2 TYR 117 HD2 TYR 117 1.929 15.546 0.303 899 HE1 TYR 117 HE1 TYR 117 -2.203 14.159 -2.093 900 HE2 TYR 117 HE2 TYR 117 1.238 16.705 -1.801 901 HH TYR 117 HH TYR 117 -0.386 16.908 -3.492 902 H TYR 118 H TYR 118 0.915 10.065 2.391 903 HA TYR 118 HA TYR 118 1.563 10.389 5.270 904 HB2 TYR 118 HB2 TYR 118 0.671 7.928 3.752 905 HB3 TYR 118 HB3 TYR 118 1.346 7.900 5.365 906 HD1 TYR 118 HD1 TYR 118 -1.583 9.015 3.358 907 HD2 TYR 118 HD2 TYR 118 0.173 8.753 7.262 908 HE1 TYR 118 HE1 TYR 118 -3.723 9.680 4.307 909 HE2 TYR 118 HE2 TYR 118 -2.033 9.351 8.300 910 HH TYR 118 HH TYR 118 -4.974 10.030 6.443 911 H ARG 119 H ARG 119 3.534 9.989 5.881 912 HA ARG 119 HA ARG 119 5.644 9.653 3.909 913 HB2 ARG 119 HB2 ARG 119 5.527 11.025 6.163 914 HB3 ARG 119 HB3 ARG 119 5.904 9.487 6.946 915 HG2 ARG 119 HG2 ARG 119 7.584 10.199 4.602 916 HG3 ARG 119 HG3 ARG 119 7.701 11.349 5.961 917 HD2 ARG 119 HD2 ARG 119 8.150 8.352 6.287 918 HD3 ARG 119 HD3 ARG 119 9.404 9.568 6.068 919 HE ARG 119 HE ARG 119 7.730 10.139 8.376 920 HH11 ARG 119 HH11 ARG 119 10.773 8.684 7.175 921 HH12 ARG 119 HH12 ARG 119 11.330 8.288 8.763 922 HH21 ARG 119 HH21 ARG 119 8.637 9.877 10.418 923 HH22 ARG 119 HH22 ARG 119 10.188 9.070 10.616 924 H ALA 120 H ALA 120 6.806 7.722 3.478 925 HA ALA 120 HA ALA 120 6.130 5.338 5.145 926 HB1 ALA 120 HB1 ALA 120 5.645 4.000 3.246 927 HB2 ALA 120 HB2 ALA 120 4.740 5.505 3.013 928 HB3 ALA 120 HB3 ALA 120 6.257 5.243 2.125 929 H VAL 121 H VAL 121 7.737 3.631 5.108 930 HA VAL 121 HA VAL 121 10.437 4.441 4.061 931 HB VAL 121 HB VAL 121 9.924 2.644 6.449 932 HG11 VAL 121 HG11 VAL 121 12.369 4.244 5.571 933 HG12 VAL 121 HG12 VAL 121 12.255 3.296 7.065 934 HG13 VAL 121 HG13 VAL 121 12.182 2.474 5.504 935 HG21 VAL 121 HG21 VAL 121 10.233 4.101 8.018 936 HG22 VAL 121 HG22 VAL 121 10.694 5.466 6.938 937 HG23 VAL 121 HG23 VAL 121 9.014 4.868 6.979 938 H LEU 122 H LEU 122 11.635 2.864 3.041 939 HA LEU 122 HA LEU 122 10.316 0.585 1.944 940 HB2 LEU 122 HB2 LEU 122 12.162 1.765 0.809 941 HB3 LEU 122 HB3 LEU 122 13.264 1.377 2.142 942 HG LEU 122 HG LEU 122 13.085 -1.002 1.656 943 HD11 LEU 122 HD11 LEU 122 10.898 -1.416 0.838 944 HD12 LEU 122 HD12 LEU 122 11.914 -1.662 -0.583 945 HD13 LEU 122 HD13 LEU 122 11.036 -0.159 -0.409 946 HD21 LEU 122 HD21 LEU 122 13.543 0.535 -0.948 947 HD22 LEU 122 HD22 LEU 122 14.263 -1.017 -0.495 948 HD23 LEU 122 HD23 LEU 122 14.729 0.453 0.367 949 H ILE 123 H ILE 123 9.726 -1.161 3.138 950 HA ILE 123 HA ILE 123 10.594 -1.392 5.803 951 HB ILE 123 HB ILE 123 9.106 -3.218 3.792 952 HG12 ILE 123 HG12 ILE 123 8.036 -2.098 6.345 953 HG13 ILE 123 HG13 ILE 123 8.220 -1.017 4.965 954 HG21 ILE 123 HG21 ILE 123 9.998 -4.892 5.273 955 HG22 ILE 123 HG22 ILE 123 9.702 -3.889 6.699 956 HG23 ILE 123 HG23 ILE 123 8.342 -4.598 5.799 957 HD11 ILE 123 HD11 ILE 123 6.711 -2.136 3.649 958 HD12 ILE 123 HD12 ILE 123 6.672 -3.592 4.663 959 HD13 ILE 123 HD13 ILE 123 5.917 -2.082 5.228 960 H LYS 124 H LYS 124 11.404 -3.210 2.817 961 HA LYS 124 HA LYS 124 13.030 -5.203 3.906 962 HB2 LYS 124 HB2 LYS 124 12.505 -5.830 1.843 963 HB3 LYS 124 HB3 LYS 124 12.012 -4.233 1.368 964 HG2 LYS 124 HG2 LYS 124 14.204 -3.537 0.885 965 HG3 LYS 124 HG3 LYS 124 14.884 -5.148 1.305 966 HD2 LYS 124 HD2 LYS 124 14.715 -5.592 -0.925 967 HD3 LYS 124 HD3 LYS 124 13.029 -5.907 -0.505 968 HE2 LYS 124 HE2 LYS 124 12.706 -4.445 -2.214 969 HE3 LYS 124 HE3 LYS 124 12.758 -3.321 -0.843 970 HZ1 LYS 124 HZ1 LYS 124 14.171 -2.416 -2.489 971 HZ2 LYS 124 HZ2 LYS 124 14.702 -3.879 -2.936 972 HZ3 LYS 124 HZ3 LYS 124 15.278 -3.227 -1.528 973 H ASN 125 H ASN 125 13.675 -1.844 3.553 974 HA ASN 125 HA ASN 125 16.517 -1.965 3.162 975 HB2 ASN 125 HB2 ASN 125 15.039 -0.002 2.656 976 HB3 ASN 125 HB3 ASN 125 14.774 0.212 4.398 977 HD21 ASN 125 HD21 ASN 125 15.773 2.116 4.784 978 HD22 ASN 125 HD22 ASN 125 17.250 2.645 4.025 979 H GLU 126 H GLU 126 14.353 -1.543 5.969 980 HA GLU 126 HA GLU 126 16.601 -1.762 7.844 981 HB2 GLU 126 HB2 GLU 126 15.028 -0.903 9.480 982 HB3 GLU 126 HB3 GLU 126 15.066 0.124 8.055 983 HG2 GLU 126 HG2 GLU 126 12.973 -1.139 7.251 984 HG3 GLU 126 HG3 GLU 126 12.896 -1.846 8.873 985 H LYS 127 H LYS 127 15.267 -3.020 10.016 986 HA LYS 127 HA LYS 127 14.456 -5.637 8.879 987 HB2 LYS 127 HB2 LYS 127 16.742 -5.087 10.814 988 HB3 LYS 127 HB3 LYS 127 15.955 -6.670 10.716 989 HG2 LYS 127 HG2 LYS 127 16.475 -6.887 8.358 990 HG3 LYS 127 HG3 LYS 127 17.142 -5.241 8.309 991 HD2 LYS 127 HD2 LYS 127 19.026 -5.842 9.658 992 HD3 LYS 127 HD3 LYS 127 18.360 -7.450 9.989 993 HE2 LYS 127 HE2 LYS 127 20.133 -7.488 8.249 994 HE3 LYS 127 HE3 LYS 127 18.589 -8.124 7.673 995 HZ1 LYS 127 HZ1 LYS 127 19.613 -5.402 7.098 996 HZ2 LYS 127 HZ2 LYS 127 18.205 -6.051 6.517 997 HZ3 LYS 127 HZ3 LYS 127 19.645 -6.664 6.067 998 H GLU 128 H GLU 128 12.378 -4.579 9.358 999 HA GLU 128 HA GLU 128 11.531 -5.222 12.106 1000 HB2 GLU 128 HB2 GLU 128 11.588 -2.588 10.897 1001 HB3 GLU 128 HB3 GLU 128 9.906 -3.101 10.969 1002 HG2 GLU 128 HG2 GLU 128 11.842 -2.988 13.305 1003 HG3 GLU 128 HG3 GLU 128 10.576 -1.820 12.954 Start of MODEL 19 1 H1 GLY 1 H GLY 1 40.752 -33.042 -0.350 2 HA2 GLY 1 HA2 GLY 1 41.243 -30.284 0.650 3 HA3 GLY 1 HA3 GLY 1 41.851 -30.886 -0.920 4 H SER 2 H SER 2 40.037 -28.590 -0.700 5 HA SER 2 HA SER 2 37.920 -29.473 -2.426 6 HB2 SER 2 HB2 SER 2 36.241 -28.271 -0.813 7 HB3 SER 2 HB3 SER 2 36.700 -29.940 -0.475 8 HG SER 2 HG SER 2 37.282 -27.641 0.950 9 H THR 3 H THR 3 36.644 -27.331 -2.991 10 HA THR 3 HA THR 3 38.408 -24.970 -2.888 11 HB THR 3 HB THR 3 36.859 -25.854 -5.354 12 HG1 THR 3 HG1 THR 3 38.841 -26.686 -6.127 13 HG21 THR 3 HG21 THR 3 38.557 -24.467 -6.548 14 HG22 THR 3 HG22 THR 3 39.288 -24.033 -4.989 15 HG23 THR 3 HG23 THR 3 37.634 -23.510 -5.392 16 H MET 4 H MET 4 36.968 -22.949 -3.521 17 HA MET 4 HA MET 4 34.119 -23.278 -3.003 18 HB2 MET 4 HB2 MET 4 34.121 -21.594 -1.216 19 HB3 MET 4 HB3 MET 4 35.011 -23.036 -0.725 20 HG2 MET 4 HG2 MET 4 37.144 -21.925 -1.125 21 HG3 MET 4 HG3 MET 4 36.341 -20.494 -1.773 22 HE1 MET 4 HE1 MET 4 34.047 -19.643 0.091 23 HE2 MET 4 HE2 MET 4 34.919 -18.672 1.296 24 HE3 MET 4 HE3 MET 4 35.371 -18.569 -0.421 25 H HIS 5 H HIS 5 33.009 -21.111 -3.403 26 HA HIS 5 HA HIS 5 34.467 -19.072 -4.784 27 HB2 HIS 5 HB2 HIS 5 33.992 -21.049 -6.475 28 HB3 HIS 5 HB3 HIS 5 32.319 -20.499 -6.396 29 HD1 HIS 5 HD1 HIS 5 35.800 -18.826 -6.970 30 HD2 HIS 5 HD2 HIS 5 31.800 -18.757 -8.311 31 HE1 HIS 5 HE1 HIS 5 35.666 -17.052 -8.817 32 H PHE 6 H PHE 6 32.296 -17.786 -5.910 33 HA PHE 6 HA PHE 6 30.302 -17.425 -3.741 34 HB2 PHE 6 HB2 PHE 6 32.042 -15.381 -5.166 35 HB3 PHE 6 HB3 PHE 6 30.457 -14.931 -4.585 36 HD1 PHE 6 HD1 PHE 6 33.692 -16.431 -3.375 37 HD2 PHE 6 HD2 PHE 6 30.119 -14.232 -2.359 38 HE1 PHE 6 HE1 PHE 6 34.560 -16.056 -1.082 39 HE2 PHE 6 HE2 PHE 6 30.990 -13.857 -0.087 40 HZ PHE 6 HZ PHE 6 33.207 -14.778 0.573 41 H THR 7 H THR 7 28.517 -15.801 -4.947 42 HA THR 7 HA THR 7 27.908 -16.880 -7.635 43 HB THR 7 HB THR 7 25.551 -17.270 -6.824 44 HG1 THR 7 HG1 THR 7 26.563 -17.483 -4.219 45 HG21 THR 7 HG21 THR 7 27.615 -18.974 -5.377 46 HG22 THR 7 HG22 THR 7 27.163 -19.156 -7.074 47 HG23 THR 7 HG23 THR 7 25.964 -19.435 -5.790 48 H ASP 8 H ASP 8 25.866 -15.620 -8.521 49 HA ASP 8 HA ASP 8 26.488 -12.811 -8.302 50 HB2 ASP 8 HB2 ASP 8 24.596 -12.477 -9.858 51 HB3 ASP 8 HB3 ASP 8 25.843 -13.553 -10.462 52 H ASP 9 H ASP 9 25.609 -11.394 -6.982 53 HA ASP 9 HA ASP 9 24.079 -12.100 -4.670 54 HB2 ASP 9 HB2 ASP 9 24.829 -9.471 -6.026 55 HB3 ASP 9 HB3 ASP 9 23.797 -9.507 -4.609 56 H ASN 10 H ASN 10 21.883 -11.844 -4.248 57 HA ASN 10 HA ASN 10 20.106 -11.285 -6.586 58 HB2 ASN 10 HB2 ASN 10 19.942 -13.105 -4.184 59 HB3 ASN 10 HB3 ASN 10 18.449 -12.374 -4.723 60 HD21 ASN 10 HD21 ASN 10 20.666 -14.891 -5.541 61 HD22 ASN 10 HD22 ASN 10 19.663 -15.336 -6.908 62 H GLU 11 H GLU 11 18.178 -10.088 -6.213 63 HA GLU 11 HA GLU 11 18.504 -7.710 -4.582 64 HB2 GLU 11 HB2 GLU 11 16.162 -8.782 -6.195 65 HB3 GLU 11 HB3 GLU 11 16.296 -7.132 -5.570 66 HG2 GLU 11 HG2 GLU 11 18.287 -8.247 -7.584 67 HG3 GLU 11 HG3 GLU 11 16.731 -7.549 -8.012 68 H ASN 12 H ASN 12 16.058 -7.103 -3.567 69 HA ASN 12 HA ASN 12 15.101 -9.326 -1.879 70 HB2 ASN 12 HB2 ASN 12 16.080 -6.713 -0.664 71 HB3 ASN 12 HB3 ASN 12 15.270 -8.035 0.155 72 HD21 ASN 12 HD21 ASN 12 18.289 -6.758 -0.790 73 HD22 ASN 12 HD22 ASN 12 19.297 -8.105 -0.281 74 H ASP 13 H ASP 13 13.284 -9.042 -3.281 75 HA ASP 13 HA ASP 13 11.750 -6.489 -3.037 76 HB2 ASP 13 HB2 ASP 13 10.372 -7.393 -4.915 77 HB3 ASP 13 HB3 ASP 13 12.019 -7.026 -5.302 78 H THR 14 H THR 14 9.214 -7.190 -3.345 79 HA THR 14 HA THR 14 8.656 -8.795 -0.887 80 HB THR 14 HB THR 14 7.693 -6.654 -0.607 81 HG1 THR 14 HG1 THR 14 6.316 -8.408 -0.132 82 HG21 THR 14 HG21 THR 14 6.332 -6.841 -3.328 83 HG22 THR 14 HG22 THR 14 7.678 -5.757 -2.927 84 HG23 THR 14 HG23 THR 14 6.126 -5.582 -2.112 85 H SER 15 H SER 15 7.669 -8.224 -4.258 86 HA SER 15 HA SER 15 6.967 -9.510 -5.865 87 HB2 SER 15 HB2 SER 15 8.668 -11.217 -4.583 88 HB3 SER 15 HB3 SER 15 7.173 -12.150 -4.479 89 HG SER 15 HG SER 15 8.508 -11.114 -6.770 90 H GLU 16 H GLU 16 5.187 -8.241 -4.237 91 HA GLU 16 HA GLU 16 2.801 -9.906 -4.578 92 HB2 GLU 16 HB2 GLU 16 2.011 -9.757 -2.437 93 HB3 GLU 16 HB3 GLU 16 3.725 -9.964 -2.147 94 HG2 GLU 16 HG2 GLU 16 3.884 -7.453 -1.886 95 HG3 GLU 16 HG3 GLU 16 2.140 -7.423 -1.859 96 H THR 17 H THR 17 0.829 -8.202 -4.072 97 HA THR 17 HA THR 17 1.555 -5.625 -5.367 98 HB THR 17 HB THR 17 0.742 -7.159 -7.098 99 HG1 THR 17 HG1 THR 17 -0.687 -5.825 -7.930 100 HG21 THR 17 HG21 THR 17 -0.639 -8.715 -5.943 101 HG22 THR 17 HG22 THR 17 -1.727 -7.833 -7.013 102 HG23 THR 17 HG23 THR 17 -1.678 -7.441 -5.278 103 H MET 18 H MET 18 -0.463 -4.194 -5.230 104 HA MET 18 HA MET 18 -0.884 -3.609 -2.516 105 HB2 MET 18 HB2 MET 18 -2.193 -2.738 -5.098 106 HB3 MET 18 HB3 MET 18 -2.979 -2.276 -3.592 107 HG2 MET 18 HG2 MET 18 -0.044 -1.827 -3.682 108 HG3 MET 18 HG3 MET 18 -0.983 -0.844 -4.786 109 HE1 MET 18 HE1 MET 18 -3.046 -1.666 -1.440 110 HE2 MET 18 HE2 MET 18 -1.378 -2.096 -1.008 111 HE3 MET 18 HE3 MET 18 -2.159 -0.680 -0.274 112 H GLU 19 H GLU 19 -2.858 -5.504 -4.797 113 HA GLU 19 HA GLU 19 -5.160 -5.800 -3.145 114 HB2 GLU 19 HB2 GLU 19 -4.090 -7.680 -5.301 115 HB3 GLU 19 HB3 GLU 19 -5.721 -7.657 -4.618 116 HG2 GLU 19 HG2 GLU 19 -5.605 -5.078 -5.369 117 HG3 GLU 19 HG3 GLU 19 -4.392 -5.668 -6.477 118 H SER 20 H SER 20 -2.151 -7.762 -3.425 119 HA SER 20 HA SER 20 -2.897 -9.915 -1.802 120 HB2 SER 20 HB2 SER 20 -0.133 -8.636 -1.878 121 HB3 SER 20 HB3 SER 20 -0.534 -10.336 -1.674 122 HG SER 20 HG SER 20 -1.547 -9.955 -3.948 123 H LEU 21 H LEU 21 -1.859 -6.640 -1.025 124 HA LEU 21 HA LEU 21 -1.294 -7.171 1.767 125 HB2 LEU 21 HB2 LEU 21 -2.080 -4.495 0.494 126 HB3 LEU 21 HB3 LEU 21 -1.310 -4.746 2.021 127 HG LEU 21 HG LEU 21 -0.167 -4.891 -0.733 128 HD11 LEU 21 HD11 LEU 21 0.688 -3.607 1.903 129 HD12 LEU 21 HD12 LEU 21 -0.192 -2.818 0.596 130 HD13 LEU 21 HD13 LEU 21 1.483 -3.361 0.350 131 HD21 LEU 21 HD21 LEU 21 1.193 -6.058 1.719 132 HD22 LEU 21 HD22 LEU 21 1.913 -5.817 0.115 133 HD23 LEU 21 HD23 LEU 21 0.620 -6.992 0.308 134 H ILE 22 H ILE 22 -3.936 -5.472 0.044 135 HA ILE 22 HA ILE 22 -5.538 -5.080 2.299 136 HB ILE 22 HB ILE 22 -6.442 -5.417 -0.594 137 HG12 ILE 22 HG12 ILE 22 -5.875 -2.792 0.868 138 HG13 ILE 22 HG13 ILE 22 -4.646 -3.588 -0.094 139 HG21 ILE 22 HG21 ILE 22 -7.686 -4.375 1.974 140 HG22 ILE 22 HG22 ILE 22 -8.252 -3.821 0.406 141 HG23 ILE 22 HG23 ILE 22 -8.340 -5.554 0.820 142 HD11 ILE 22 HD11 ILE 22 -7.321 -2.611 -1.160 143 HD12 ILE 22 HD12 ILE 22 -5.719 -1.924 -1.463 144 HD13 ILE 22 HD13 ILE 22 -6.129 -3.532 -2.093 145 H ASP 23 H ASP 23 -5.556 -7.831 0.023 146 HA ASP 23 HA ASP 23 -7.761 -9.233 1.054 147 HB2 ASP 23 HB2 ASP 23 -6.507 -9.792 -1.019 148 HB3 ASP 23 HB3 ASP 23 -5.183 -10.431 -0.035 149 H LYS 24 H LYS 24 -4.558 -8.913 2.461 150 HA LYS 24 HA LYS 24 -5.171 -11.034 4.481 151 HB2 LYS 24 HB2 LYS 24 -2.934 -11.433 4.443 152 HB3 LYS 24 HB3 LYS 24 -2.881 -10.421 3.034 153 HG2 LYS 24 HG2 LYS 24 -1.212 -9.477 4.221 154 HG3 LYS 24 HG3 LYS 24 -2.504 -8.456 4.742 155 HD2 LYS 24 HD2 LYS 24 -2.534 -10.676 6.565 156 HD3 LYS 24 HD3 LYS 24 -0.838 -10.303 6.326 157 HE2 LYS 24 HE2 LYS 24 -0.961 -8.400 7.570 158 HE3 LYS 24 HE3 LYS 24 -2.452 -7.876 6.774 159 HZ1 LYS 24 HZ1 LYS 24 -2.281 -9.754 9.031 160 HZ2 LYS 24 HZ2 LYS 24 -3.686 -9.364 8.218 161 HZ3 LYS 24 HZ3 LYS 24 -2.876 -8.227 9.052 162 H GLY 25 H GLY 25 -5.294 -7.638 4.076 163 HA2 GLY 25 HA2 GLY 25 -6.313 -6.212 5.652 164 HA3 GLY 25 HA3 GLY 25 -5.818 -7.255 6.968 165 H LYS 26 H LYS 26 -3.575 -6.252 4.391 166 HA LYS 26 HA LYS 26 -1.866 -4.865 6.441 167 HB2 LYS 26 HB2 LYS 26 -1.401 -6.065 3.728 168 HB3 LYS 26 HB3 LYS 26 -0.377 -4.715 4.283 169 HG2 LYS 26 HG2 LYS 26 0.157 -6.101 6.300 170 HG3 LYS 26 HG3 LYS 26 -0.616 -7.454 5.520 171 HD2 LYS 26 HD2 LYS 26 1.647 -5.995 4.139 172 HD3 LYS 26 HD3 LYS 26 1.936 -7.241 5.349 173 HE2 LYS 26 HE2 LYS 26 0.596 -8.851 4.016 174 HE3 LYS 26 HE3 LYS 26 0.416 -7.644 2.739 175 HZ1 LYS 26 HZ1 LYS 26 2.190 -9.084 2.169 176 HZ2 LYS 26 HZ2 LYS 26 2.929 -8.923 3.642 177 HZ3 LYS 26 HZ3 LYS 26 2.879 -7.736 2.468 178 H LEU 27 H LEU 27 -3.607 -3.174 6.565 179 HA LEU 27 HA LEU 27 -3.878 -1.434 4.151 180 HB2 LEU 27 HB2 LEU 27 -5.196 -1.299 6.896 181 HB3 LEU 27 HB3 LEU 27 -5.448 -0.136 5.615 182 HG LEU 27 HG LEU 27 -7.336 -1.428 5.530 183 HD11 LEU 27 HD11 LEU 27 -7.312 -2.588 3.412 184 HD12 LEU 27 HD12 LEU 27 -5.558 -2.814 3.487 185 HD13 LEU 27 HD13 LEU 27 -6.239 -1.173 3.277 186 HD21 LEU 27 HD21 LEU 27 -7.494 -3.835 5.595 187 HD22 LEU 27 HD22 LEU 27 -6.521 -3.307 6.977 188 HD23 LEU 27 HD23 LEU 27 -5.734 -3.983 5.539 189 H ASP 28 H ASP 28 -1.759 -1.775 6.659 190 HA ASP 28 HA ASP 28 -1.224 1.154 7.059 191 HB2 ASP 28 HB2 ASP 28 -0.163 -1.334 8.460 192 HB3 ASP 28 HB3 ASP 28 0.449 0.289 8.763 193 H GLN 29 H GLN 29 -0.412 -1.033 4.739 194 HA GLN 29 HA GLN 29 2.068 0.378 4.166 195 HB2 GLN 29 HB2 GLN 29 3.246 -1.842 3.699 196 HB3 GLN 29 HB3 GLN 29 3.011 -1.378 5.369 197 HG2 GLN 29 HG2 GLN 29 0.817 -2.951 5.034 198 HG3 GLN 29 HG3 GLN 29 1.928 -3.688 3.870 199 HE21 GLN 29 HE21 GLN 29 4.421 -3.335 5.428 200 HE22 GLN 29 HE22 GLN 29 4.178 -4.214 6.935 201 H VAL 30 H VAL 30 2.744 0.004 1.922 202 HA VAL 30 HA VAL 30 0.532 -0.896 0.126 203 HB VAL 30 HB VAL 30 0.718 1.105 -1.208 204 HG11 VAL 30 HG11 VAL 30 0.157 1.973 1.656 205 HG12 VAL 30 HG12 VAL 30 -0.539 2.611 0.153 206 HG13 VAL 30 HG13 VAL 30 -0.949 0.979 0.696 207 HG21 VAL 30 HG21 VAL 30 3.066 1.724 -0.662 208 HG22 VAL 30 HG22 VAL 30 1.937 3.058 -0.530 209 HG23 VAL 30 HG23 VAL 30 2.523 2.251 0.952 210 H VAL 31 H VAL 31 1.311 -0.996 -2.277 211 HA VAL 31 HA VAL 31 4.133 -1.641 -2.350 212 HB VAL 31 HB VAL 31 2.300 -3.082 -4.205 213 HG11 VAL 31 HG11 VAL 31 4.672 -3.330 -4.434 214 HG12 VAL 31 HG12 VAL 31 4.763 -3.925 -2.749 215 HG13 VAL 31 HG13 VAL 31 3.875 -4.852 -3.971 216 HG21 VAL 31 HG21 VAL 31 1.215 -3.563 -2.014 217 HG22 VAL 31 HG22 VAL 31 2.112 -4.993 -2.562 218 HG23 VAL 31 HG23 VAL 31 2.817 -3.953 -1.333 219 H TYR 32 H TYR 32 5.251 -0.788 -4.013 220 HA TYR 32 HA TYR 32 3.930 0.265 -6.426 221 HB2 TYR 32 HB2 TYR 32 3.866 2.279 -5.116 222 HB3 TYR 32 HB3 TYR 32 5.465 1.948 -4.457 223 HD1 TYR 32 HD1 TYR 32 4.513 1.846 -8.130 224 HD2 TYR 32 HD2 TYR 32 6.581 3.990 -5.013 225 HE1 TYR 32 HE1 TYR 32 5.718 3.172 -9.822 226 HE2 TYR 32 HE2 TYR 32 7.812 5.281 -6.683 227 HH TYR 32 HH TYR 32 8.356 4.373 -9.701 228 H ASP 33 H ASP 33 5.171 -0.306 -8.091 229 HA ASP 33 HA ASP 33 6.711 -1.365 -9.273 230 HB2 ASP 33 HB2 ASP 33 7.622 1.191 -8.328 231 HB3 ASP 33 HB3 ASP 33 9.015 0.144 -8.409 232 H ASP 34 H ASP 34 6.060 -2.906 -7.206 233 HA ASP 34 HA ASP 34 6.578 -4.873 -6.187 234 HB2 ASP 34 HB2 ASP 34 7.845 -5.176 -8.342 235 HB3 ASP 34 HB3 ASP 34 9.303 -4.730 -7.411 236 H GLN 35 H GLN 35 7.044 -2.415 -4.847 237 HA GLN 35 HA GLN 35 9.111 -3.330 -2.911 238 HB2 GLN 35 HB2 GLN 35 8.627 -0.417 -3.442 239 HB3 GLN 35 HB3 GLN 35 9.868 -1.175 -2.468 240 HG2 GLN 35 HG2 GLN 35 9.674 -0.981 -5.476 241 HG3 GLN 35 HG3 GLN 35 10.810 -0.332 -4.318 242 HE21 GLN 35 HE21 GLN 35 11.217 -3.077 -3.003 243 HE22 GLN 35 HE22 GLN 35 12.200 -3.914 -4.218 244 H LEU 36 H LEU 36 8.650 -2.978 -0.953 245 HA LEU 36 HA LEU 36 5.796 -2.408 -0.291 246 HB2 LEU 36 HB2 LEU 36 6.880 -4.702 -0.063 247 HB3 LEU 36 HB3 LEU 36 7.803 -4.057 1.283 248 HG LEU 36 HG LEU 36 5.665 -3.674 2.502 249 HD11 LEU 36 HD11 LEU 36 4.372 -4.987 0.078 250 HD12 LEU 36 HD12 LEU 36 4.078 -3.325 0.640 251 HD13 LEU 36 HD13 LEU 36 3.572 -4.694 1.632 252 HD21 LEU 36 HD21 LEU 36 6.928 -5.755 2.699 253 HD22 LEU 36 HD22 LEU 36 6.111 -6.418 1.257 254 HD23 LEU 36 HD23 LEU 36 5.182 -6.119 2.739 255 H TYR 37 H TYR 37 5.388 -0.627 0.773 256 HA TYR 37 HA TYR 37 7.540 0.483 2.469 257 HB2 TYR 37 HB2 TYR 37 5.296 2.180 1.360 258 HB3 TYR 37 HB3 TYR 37 6.855 2.699 1.976 259 HD1 TYR 37 HD1 TYR 37 8.809 1.188 0.374 260 HD2 TYR 37 HD2 TYR 37 5.105 3.085 -0.745 261 HE1 TYR 37 HE1 TYR 37 9.712 1.613 -1.922 262 HE2 TYR 37 HE2 TYR 37 6.008 3.530 -2.978 263 HH TYR 37 HH TYR 37 9.358 2.597 -3.993 264 H HIS 38 H HIS 38 6.992 1.070 4.613 265 HA HIS 38 HA HIS 38 4.282 0.327 5.580 266 HB2 HIS 38 HB2 HIS 38 6.919 -0.082 6.592 267 HB3 HIS 38 HB3 HIS 38 6.214 1.095 7.660 268 HD1 HIS 38 HD1 HIS 38 6.899 -1.912 8.599 269 HD2 HIS 38 HD2 HIS 38 3.146 -0.344 7.458 270 HE1 HIS 38 HE1 HIS 38 5.130 -3.421 9.590 271 H LEU 39 H LEU 39 2.897 1.900 6.228 272 HA LEU 39 HA LEU 39 3.658 4.692 5.902 273 HB2 LEU 39 HB2 LEU 39 1.170 3.447 7.142 274 HB3 LEU 39 HB3 LEU 39 1.352 5.115 6.608 275 HG LEU 39 HG LEU 39 1.347 2.653 4.802 276 HD11 LEU 39 HD11 LEU 39 -0.806 3.286 5.785 277 HD12 LEU 39 HD12 LEU 39 -0.730 3.544 4.038 278 HD13 LEU 39 HD13 LEU 39 -0.594 4.945 5.129 279 HD21 LEU 39 HD21 LEU 39 2.815 4.174 3.746 280 HD22 LEU 39 HD22 LEU 39 1.751 5.570 4.078 281 HD23 LEU 39 HD23 LEU 39 1.260 4.311 2.932 282 H LYS 40 H LYS 40 3.984 6.183 7.499 283 HA LYS 40 HA LYS 40 4.322 5.146 10.295 284 HB2 LYS 40 HB2 LYS 40 5.838 7.469 9.069 285 HB3 LYS 40 HB3 LYS 40 6.155 6.642 10.564 286 HG2 LYS 40 HG2 LYS 40 6.559 5.675 7.719 287 HG3 LYS 40 HG3 LYS 40 7.811 6.080 8.867 288 HD2 LYS 40 HD2 LYS 40 5.970 3.704 9.409 289 HD3 LYS 40 HD3 LYS 40 7.278 3.618 8.247 290 HE2 LYS 40 HE2 LYS 40 8.306 2.797 10.101 291 HE3 LYS 40 HE3 LYS 40 8.828 4.484 10.075 292 HZ1 LYS 40 HZ1 LYS 40 8.256 3.736 12.239 293 HZ2 LYS 40 HZ2 LYS 40 6.754 3.309 11.815 294 HZ3 LYS 40 HZ3 LYS 40 7.234 4.938 11.834 295 H GLU 41 H GLU 41 3.808 8.213 8.509 296 HA GLU 41 HA GLU 41 1.654 8.957 10.396 297 HB2 GLU 41 HB2 GLU 41 2.760 11.032 11.107 298 HB3 GLU 41 HB3 GLU 41 3.719 9.629 11.533 299 HG2 GLU 41 HG2 GLU 41 4.762 10.252 9.026 300 HG3 GLU 41 HG3 GLU 41 4.307 11.835 9.588 301 H LYS 42 H LYS 42 0.766 11.185 9.845 302 HA LYS 42 HA LYS 42 0.472 11.396 6.914 303 HB2 LYS 42 HB2 LYS 42 -1.408 11.301 8.732 304 HB3 LYS 42 HB3 LYS 42 -1.089 13.018 8.951 305 HG2 LYS 42 HG2 LYS 42 -1.708 11.750 6.251 306 HG3 LYS 42 HG3 LYS 42 -2.988 12.198 7.359 307 HD2 LYS 42 HD2 LYS 42 -1.009 14.345 6.753 308 HD3 LYS 42 HD3 LYS 42 -2.023 13.813 5.410 309 HE2 LYS 42 HE2 LYS 42 -3.912 14.126 7.371 310 HE3 LYS 42 HE3 LYS 42 -2.703 15.293 7.923 311 HZ1 LYS 42 HZ1 LYS 42 -2.896 15.930 5.333 312 HZ2 LYS 42 HZ2 LYS 42 -3.901 16.565 6.497 313 HZ3 LYS 42 HZ3 LYS 42 -4.406 15.340 5.578 314 H VAL 43 H VAL 43 0.983 13.350 5.807 315 HA VAL 43 HA VAL 43 2.556 15.441 7.260 316 HB VAL 43 HB VAL 43 4.089 15.447 5.340 317 HG11 VAL 43 HG11 VAL 43 4.627 14.189 7.472 318 HG12 VAL 43 HG12 VAL 43 4.052 12.708 6.691 319 HG13 VAL 43 HG13 VAL 43 5.464 13.579 6.038 320 HG21 VAL 43 HG21 VAL 43 4.301 13.619 3.831 321 HG22 VAL 43 HG22 VAL 43 2.850 12.826 4.474 322 HG23 VAL 43 HG23 VAL 43 2.740 14.397 3.631 323 H ASP 44 H ASP 44 2.989 17.268 5.557 324 HA ASP 44 HA ASP 44 0.308 18.030 4.504 325 HB2 ASP 44 HB2 ASP 44 1.852 19.497 6.147 326 HB3 ASP 44 HB3 ASP 44 2.676 19.911 4.631 327 H GLU 45 H GLU 45 0.437 19.338 2.323 328 HA GLU 45 HA GLU 45 1.871 17.641 0.447 329 HB2 GLU 45 HB2 GLU 45 0.944 18.809 -1.255 330 HB3 GLU 45 HB3 GLU 45 -0.306 18.782 -0.035 331 HG2 GLU 45 HG2 GLU 45 -0.398 20.994 0.189 332 HG3 GLU 45 HG3 GLU 45 1.319 21.254 0.032 333 H ASP 46 H ASP 46 2.737 20.429 2.325 334 HA ASP 46 HA ASP 46 4.692 21.530 0.506 335 HB2 ASP 46 HB2 ASP 46 3.345 22.253 2.955 336 HB3 ASP 46 HB3 ASP 46 5.077 22.394 3.204 337 H LYS 47 H LYS 47 4.639 18.756 2.193 338 HA LYS 47 HA LYS 47 7.463 18.819 2.916 339 HB2 LYS 47 HB2 LYS 47 5.558 16.481 3.274 340 HB3 LYS 47 HB3 LYS 47 7.070 16.804 4.116 341 HG2 LYS 47 HG2 LYS 47 4.430 18.272 4.358 342 HG3 LYS 47 HG3 LYS 47 5.203 17.330 5.605 343 HD2 LYS 47 HD2 LYS 47 7.129 19.205 5.203 344 HD3 LYS 47 HD3 LYS 47 5.688 20.100 4.671 345 HE2 LYS 47 HE2 LYS 47 5.992 20.713 6.887 346 HE3 LYS 47 HE3 LYS 47 4.637 19.577 6.896 347 HZ1 LYS 47 HZ1 LYS 47 6.075 17.897 7.718 348 HZ2 LYS 47 HZ2 LYS 47 6.273 19.226 8.654 349 HZ3 LYS 47 HZ3 LYS 47 7.440 18.845 7.567 350 H LYS 48 H LYS 48 5.342 17.733 0.303 351 HA LYS 48 HA LYS 48 7.025 15.660 -0.551 352 HB2 LYS 48 HB2 LYS 48 5.906 15.679 -2.655 353 HB3 LYS 48 HB3 LYS 48 4.743 15.931 -1.368 354 HG2 LYS 48 HG2 LYS 48 5.362 18.536 -2.095 355 HG3 LYS 48 HG3 LYS 48 5.580 17.706 -3.636 356 HD2 LYS 48 HD2 LYS 48 3.320 16.748 -3.471 357 HD3 LYS 48 HD3 LYS 48 3.109 17.409 -1.871 358 HE2 LYS 48 HE2 LYS 48 2.980 18.779 -4.511 359 HE3 LYS 48 HE3 LYS 48 1.872 18.786 -3.119 360 HZ1 LYS 48 HZ1 LYS 48 4.331 20.387 -3.431 361 HZ2 LYS 48 HZ2 LYS 48 3.665 20.112 -1.966 362 HZ3 LYS 48 HZ3 LYS 48 2.803 20.889 -3.094 363 H GLY 49 H GLY 49 8.806 15.529 -1.875 364 HA2 GLY 49 HA2 GLY 49 10.260 18.078 -2.320 365 HA3 GLY 49 HA3 GLY 49 10.889 16.442 -2.417 366 H LYS 50 H LYS 50 9.028 15.194 -4.044 367 HA LYS 50 HA LYS 50 8.346 16.556 -6.476 368 HB2 LYS 50 HB2 LYS 50 10.041 15.273 -7.853 369 HB3 LYS 50 HB3 LYS 50 10.766 16.527 -6.849 370 HG2 LYS 50 HG2 LYS 50 11.390 14.803 -5.129 371 HG3 LYS 50 HG3 LYS 50 10.712 13.545 -6.178 372 HD2 LYS 50 HD2 LYS 50 13.071 15.346 -6.849 373 HD3 LYS 50 HD3 LYS 50 13.158 13.670 -6.263 374 HE2 LYS 50 HE2 LYS 50 11.878 12.883 -8.203 375 HE3 LYS 50 HE3 LYS 50 11.771 14.546 -8.808 376 HZ1 LYS 50 HZ1 LYS 50 14.216 14.536 -8.946 377 HZ2 LYS 50 HZ2 LYS 50 13.496 13.416 -9.913 378 HZ3 LYS 50 HZ3 LYS 50 14.222 12.949 -8.502 379 H VAL 51 H VAL 51 7.414 14.952 -8.014 380 HA VAL 51 HA VAL 51 6.206 12.585 -6.672 381 HB VAL 51 HB VAL 51 5.823 14.095 -9.262 382 HG11 VAL 51 HG11 VAL 51 4.134 12.522 -10.012 383 HG12 VAL 51 HG12 VAL 51 5.689 11.723 -9.944 384 HG13 VAL 51 HG13 VAL 51 4.498 11.429 -8.648 385 HG21 VAL 51 HG21 VAL 51 3.549 14.359 -8.503 386 HG22 VAL 51 HG22 VAL 51 3.871 13.329 -7.091 387 HG23 VAL 51 HG23 VAL 51 4.670 14.920 -7.269 388 H ILE 52 H ILE 52 6.550 10.511 -7.360 389 HA ILE 52 HA ILE 52 8.860 10.005 -9.176 390 HB ILE 52 HB ILE 52 9.613 8.209 -7.663 391 HG12 ILE 52 HG12 ILE 52 7.827 9.490 -5.539 392 HG13 ILE 52 HG13 ILE 52 7.488 7.954 -6.338 393 HG21 ILE 52 HG21 ILE 52 10.934 9.646 -6.264 394 HG22 ILE 52 HG22 ILE 52 10.658 10.490 -7.780 395 HG23 ILE 52 HG23 ILE 52 9.722 10.954 -6.338 396 HD11 ILE 52 HD11 ILE 52 9.628 7.030 -5.462 397 HD12 ILE 52 HD12 ILE 52 9.849 8.533 -4.529 398 HD13 ILE 52 HD13 ILE 52 8.453 7.491 -4.217 399 H GLY 53 H GLY 53 5.774 8.858 -7.746 400 HA2 GLY 53 HA2 GLY 53 5.213 7.354 -10.180 401 HA3 GLY 53 HA3 GLY 53 5.508 6.341 -8.753 402 H ALA 54 H ALA 54 3.056 5.926 -9.418 403 HA ALA 54 HA ALA 54 1.453 7.409 -7.544 404 HB1 ALA 54 HB1 ALA 54 0.495 7.045 -10.426 405 HB2 ALA 54 HB2 ALA 54 -0.315 7.967 -9.141 406 HB3 ALA 54 HB3 ALA 54 1.209 8.555 -9.851 407 H ILE 55 H ILE 55 0.006 6.047 -6.476 408 HA ILE 55 HA ILE 55 0.008 3.232 -7.324 409 HB ILE 55 HB ILE 55 -1.143 4.711 -4.943 410 HG12 ILE 55 HG12 ILE 55 1.072 2.617 -5.230 411 HG13 ILE 55 HG13 ILE 55 1.303 4.348 -4.982 412 HG21 ILE 55 HG21 ILE 55 -1.328 1.727 -5.455 413 HG22 ILE 55 HG22 ILE 55 -1.886 2.630 -4.023 414 HG23 ILE 55 HG23 ILE 55 -2.678 2.895 -5.554 415 HD11 ILE 55 HD11 ILE 55 -0.056 4.106 -2.827 416 HD12 ILE 55 HD12 ILE 55 0.149 2.353 -3.030 417 HD13 ILE 55 HD13 ILE 55 1.581 3.386 -2.851 418 H GLY 56 H GLY 56 -2.407 5.808 -6.701 419 HA2 GLY 56 HA2 GLY 56 -4.421 6.335 -7.631 420 HA3 GLY 56 HA3 GLY 56 -3.779 5.661 -9.119 421 H GLN 57 H GLN 57 -3.909 3.027 -7.021 422 HA GLN 57 HA GLN 57 -6.147 1.934 -8.398 423 HB2 GLN 57 HB2 GLN 57 -4.810 0.779 -5.914 424 HB3 GLN 57 HB3 GLN 57 -5.689 -0.065 -7.202 425 HG2 GLN 57 HG2 GLN 57 -3.852 0.892 -8.786 426 HG3 GLN 57 HG3 GLN 57 -2.943 1.211 -7.318 427 HE21 GLN 57 HE21 GLN 57 -1.367 -0.340 -7.064 428 HE22 GLN 57 HE22 GLN 57 -1.580 -2.015 -7.496 429 H THR 58 H THR 58 -7.945 0.782 -7.198 430 HA THR 58 HA THR 58 -8.881 2.134 -4.784 431 HB THR 58 HB THR 58 -10.714 2.020 -7.199 432 HG1 THR 58 HG1 THR 58 -9.255 3.652 -7.642 433 HG21 THR 58 HG21 THR 58 -11.914 2.002 -5.079 434 HG22 THR 58 HG22 THR 58 -12.056 3.626 -5.772 435 HG23 THR 58 HG23 THR 58 -10.909 3.314 -4.442 436 H PHE 59 H PHE 59 -9.825 0.638 -3.443 437 HA PHE 59 HA PHE 59 -11.101 -1.730 -4.606 438 HB2 PHE 59 HB2 PHE 59 -8.926 -1.955 -2.530 439 HB3 PHE 59 HB3 PHE 59 -9.851 -3.278 -3.248 440 HD1 PHE 59 HD1 PHE 59 -9.733 -3.626 -5.799 441 HD2 PHE 59 HD2 PHE 59 -6.810 -1.405 -3.535 442 HE1 PHE 59 HE1 PHE 59 -8.071 -3.992 -7.583 443 HE2 PHE 59 HE2 PHE 59 -5.142 -1.802 -5.301 444 HZ PHE 59 HZ PHE 59 -5.780 -3.071 -7.362 445 H PHE 60 H PHE 60 -12.007 -3.107 -2.542 446 HA PHE 60 HA PHE 60 -12.959 -1.270 -0.427 447 HB2 PHE 60 HB2 PHE 60 -14.816 -3.051 -2.056 448 HB3 PHE 60 HB3 PHE 60 -15.269 -1.990 -0.738 449 HD1 PHE 60 HD2 PHE 60 -15.481 0.439 -1.108 450 HD2 PHE 60 HD1 PHE 60 -14.371 -2.215 -4.302 451 HE1 PHE 60 HE2 PHE 60 -15.915 2.240 -2.735 452 HE2 PHE 60 HE1 PHE 60 -14.773 -0.419 -5.944 453 HZ PHE 60 HZ PHE 60 -15.545 1.828 -5.183 454 H VAL 61 H VAL 61 -13.503 -2.389 1.638 455 HA VAL 61 HA VAL 61 -13.380 -5.321 1.524 456 HB VAL 61 HB VAL 61 -12.125 -5.443 3.571 457 HG11 VAL 61 HG11 VAL 61 -10.515 -3.961 1.525 458 HG12 VAL 61 HG12 VAL 61 -9.973 -5.219 2.667 459 HG13 VAL 61 HG13 VAL 61 -11.064 -5.658 1.345 460 HG21 VAL 61 HG21 VAL 61 -11.549 -2.484 3.205 461 HG22 VAL 61 HG22 VAL 61 -12.487 -3.259 4.525 462 HG23 VAL 61 HG23 VAL 61 -10.762 -3.588 4.369 463 H ASP 62 H ASP 62 -14.214 -6.240 3.645 464 HA ASP 62 HA ASP 62 -16.606 -4.734 4.475 465 HB2 ASP 62 HB2 ASP 62 -17.571 -6.789 5.023 466 HB3 ASP 62 HB3 ASP 62 -16.940 -6.953 3.390 467 H GLY 63 H GLY 63 -17.186 -5.786 6.850 468 HA2 GLY 63 HA2 GLY 63 -15.561 -4.328 8.631 469 HA3 GLY 63 HA3 GLY 63 -16.772 -5.541 9.062 470 H ASP 64 H ASP 64 -15.220 -7.639 7.405 471 HA ASP 64 HA ASP 64 -13.365 -8.366 9.630 472 HB2 ASP 64 HB2 ASP 64 -15.016 -10.003 8.741 473 HB3 ASP 64 HB3 ASP 64 -14.181 -9.956 7.184 474 H GLY 65 H GLY 65 -13.296 -7.231 6.307 475 HA2 GLY 65 HA2 GLY 65 -11.340 -6.023 5.518 476 HA3 GLY 65 HA3 GLY 65 -10.308 -7.136 6.404 477 H LYS 66 H LYS 66 -13.088 -8.416 4.571 478 HA LYS 66 HA LYS 66 -11.178 -9.962 2.940 479 HB2 LYS 66 HB2 LYS 66 -14.110 -10.113 3.606 480 HB3 LYS 66 HB3 LYS 66 -13.682 -10.633 1.994 481 HG2 LYS 66 HG2 LYS 66 -12.457 -11.728 4.565 482 HG3 LYS 66 HG3 LYS 66 -13.746 -12.487 3.638 483 HD2 LYS 66 HD2 LYS 66 -10.857 -12.117 2.747 484 HD3 LYS 66 HD3 LYS 66 -11.691 -13.617 3.158 485 HE2 LYS 66 HE2 LYS 66 -13.245 -13.274 1.241 486 HE3 LYS 66 HE3 LYS 66 -12.358 -11.818 0.783 487 HZ1 LYS 66 HZ1 LYS 66 -11.676 -13.687 -0.508 488 HZ2 LYS 66 HZ2 LYS 66 -11.304 -14.576 0.800 489 HZ3 LYS 66 HZ3 LYS 66 -10.382 -13.270 0.456 490 H ARG 67 H ARG 67 -10.882 -9.645 0.757 491 HA ARG 67 HA ARG 67 -11.457 -7.024 -0.245 492 HB2 ARG 67 HB2 ARG 67 -9.631 -9.119 -0.846 493 HB3 ARG 67 HB3 ARG 67 -10.660 -9.054 -2.275 494 HG2 ARG 67 HG2 ARG 67 -9.214 -6.695 -1.042 495 HG3 ARG 67 HG3 ARG 67 -8.625 -7.631 -2.410 496 HD2 ARG 67 HD2 ARG 67 -11.349 -6.239 -2.464 497 HD3 ARG 67 HD3 ARG 67 -9.831 -5.449 -2.904 498 HE ARG 67 HE ARG 67 -9.784 -7.738 -4.365 499 HH11 ARG 67 HH11 ARG 67 -12.604 -5.826 -4.429 500 HH12 ARG 67 HH12 ARG 67 -12.226 -4.782 -5.775 501 HH21 ARG 67 HH21 ARG 67 -9.277 -6.682 -6.471 502 HH22 ARG 67 HH22 ARG 67 -10.556 -5.762 -7.234 503 H TRP 68 H TRP 68 -13.444 -6.402 -1.008 504 HA TRP 68 HA TRP 68 -15.548 -8.292 -1.535 505 HB2 TRP 68 HB2 TRP 68 -15.118 -5.334 -2.109 506 HB3 TRP 68 HB3 TRP 68 -16.466 -6.191 -2.812 507 HD1 TRP 68 HD1 TRP 68 -15.206 -5.534 0.774 508 HE1 TRP 68 HE1 TRP 68 -17.255 -5.043 2.241 509 HE3 TRP 68 HE3 TRP 68 -18.844 -6.785 -2.543 510 HZ2 TRP 68 HZ2 TRP 68 -20.121 -5.287 2.010 511 HZ3 TRP 68 HZ3 TRP 68 -21.210 -6.913 -1.812 512 HH2 TRP 68 HH2 TRP 68 -21.866 -6.147 0.465 513 H SER 69 H SER 69 -16.139 -9.250 -3.493 514 HA SER 69 HA SER 69 -14.249 -8.909 -5.748 515 HB2 SER 69 HB2 SER 69 -16.662 -10.736 -5.372 516 HB3 SER 69 HB3 SER 69 -15.503 -10.815 -6.706 517 HG SER 69 HG SER 69 -15.190 -12.309 -4.978 518 H GLU 70 H GLU 70 -14.995 -8.335 -7.878 519 HA GLU 70 HA GLU 70 -16.776 -6.192 -8.144 520 HB2 GLU 70 HB2 GLU 70 -16.036 -8.306 -10.185 521 HB3 GLU 70 HB3 GLU 70 -16.855 -6.789 -10.575 522 HG2 GLU 70 HG2 GLU 70 -14.950 -5.503 -9.750 523 HG3 GLU 70 HG3 GLU 70 -14.065 -6.978 -9.362 524 H GLU 71 H GLU 71 -17.408 -9.650 -8.295 525 HA GLU 71 HA GLU 71 -19.983 -9.856 -9.342 526 HB2 GLU 71 HB2 GLU 71 -18.686 -11.405 -7.079 527 HB3 GLU 71 HB3 GLU 71 -19.998 -11.986 -8.114 528 HG2 GLU 71 HG2 GLU 71 -18.539 -12.310 -9.954 529 HG3 GLU 71 HG3 GLU 71 -17.298 -11.259 -9.301 530 H GLU 72 H GLU 72 -18.982 -9.568 -5.862 531 HA GLU 72 HA GLU 72 -21.717 -9.371 -4.922 532 HB2 GLU 72 HB2 GLU 72 -18.999 -8.857 -3.617 533 HB3 GLU 72 HB3 GLU 72 -20.541 -8.785 -2.764 534 HG2 GLU 72 HG2 GLU 72 -21.083 -11.122 -3.567 535 HG3 GLU 72 HG3 GLU 72 -19.423 -11.230 -4.157 536 H LEU 73 H LEU 73 -19.301 -7.127 -6.047 537 HA LEU 73 HA LEU 73 -20.532 -4.777 -4.849 538 HB2 LEU 73 HB2 LEU 73 -18.435 -5.089 -7.024 539 HB3 LEU 73 HB3 LEU 73 -18.940 -3.536 -6.372 540 HG LEU 73 HG LEU 73 -17.768 -5.752 -4.640 541 HD11 LEU 73 HD11 LEU 73 -16.100 -5.048 -6.280 542 HD12 LEU 73 HD12 LEU 73 -15.670 -4.489 -4.670 543 HD13 LEU 73 HD13 LEU 73 -16.357 -3.342 -5.852 544 HD21 LEU 73 HD21 LEU 73 -19.076 -4.215 -3.350 545 HD22 LEU 73 HD22 LEU 73 -18.271 -2.811 -4.109 546 HD23 LEU 73 HD23 LEU 73 -17.377 -3.915 -3.033 547 H LYS 74 H LYS 74 -21.002 -6.501 -8.026 548 HA LYS 74 HA LYS 74 -22.454 -4.193 -9.040 549 HB2 LYS 74 HB2 LYS 74 -22.776 -5.620 -11.027 550 HB3 LYS 74 HB3 LYS 74 -21.077 -5.553 -10.546 551 HG2 LYS 74 HG2 LYS 74 -21.313 -7.709 -9.406 552 HG3 LYS 74 HG3 LYS 74 -23.027 -7.773 -9.798 553 HD2 LYS 74 HD2 LYS 74 -21.959 -9.240 -11.090 554 HD3 LYS 74 HD3 LYS 74 -22.370 -7.912 -12.204 555 HE2 LYS 74 HE2 LYS 74 -20.011 -7.249 -12.295 556 HE3 LYS 74 HE3 LYS 74 -19.631 -8.295 -10.919 557 HZ1 LYS 74 HZ1 LYS 74 -20.363 -10.193 -12.429 558 HZ2 LYS 74 HZ2 LYS 74 -18.924 -9.472 -12.831 559 HZ3 LYS 74 HZ3 LYS 74 -20.274 -9.183 -13.681 560 H GLU 75 H GLU 75 -23.261 -6.811 -6.948 561 HA GLU 75 HA GLU 75 -25.859 -7.489 -7.759 562 HB2 GLU 75 HB2 GLU 75 -24.515 -7.420 -5.050 563 HB3 GLU 75 HB3 GLU 75 -26.103 -8.047 -5.251 564 HG2 GLU 75 HG2 GLU 75 -25.004 -9.532 -7.162 565 HG3 GLU 75 HG3 GLU 75 -23.531 -9.171 -6.264 566 HA PRO 76 HA PRO 76 -28.349 -4.081 -6.589 567 HB2 PRO 76 HB2 PRO 76 -30.739 -5.153 -5.804 568 HB3 PRO 76 HB3 PRO 76 -30.127 -5.210 -7.484 569 HG2 PRO 76 HG2 PRO 76 -30.113 -7.383 -5.406 570 HG3 PRO 76 HG3 PRO 76 -30.394 -7.518 -7.170 571 HD2 PRO 76 HD2 PRO 76 -28.017 -8.030 -5.826 572 HD3 PRO 76 HD3 PRO 76 -28.063 -7.691 -7.560 573 H TYR 77 H TYR 77 -28.980 -2.766 -4.954 574 HA TYR 77 HA TYR 77 -27.899 -3.272 -2.325 575 HB2 TYR 77 HB2 TYR 77 -29.642 -0.914 -3.159 576 HB3 TYR 77 HB3 TYR 77 -28.412 -0.988 -1.903 577 HD1 TYR 77 HD2 TYR 77 -25.963 -1.514 -2.679 578 HD2 TYR 77 HD1 TYR 77 -29.094 -0.250 -5.377 579 HE1 TYR 77 HE2 TYR 77 -24.280 -0.998 -4.392 580 HE2 TYR 77 HE1 TYR 77 -27.430 0.222 -7.103 581 HH TYR 77 HH TYR 77 -25.139 0.304 -7.619 582 H ILE 78 H ILE 78 -31.176 -2.475 -3.523 583 HA ILE 78 HA ILE 78 -32.460 -3.070 -1.013 584 HB ILE 78 HB ILE 78 -34.562 -2.867 -2.269 585 HG12 ILE 78 HG12 ILE 78 -32.860 -2.487 -4.783 586 HG13 ILE 78 HG13 ILE 78 -33.841 -3.911 -4.422 587 HG21 ILE 78 HG21 ILE 78 -32.603 -0.648 -3.022 588 HG22 ILE 78 HG22 ILE 78 -34.350 -0.501 -2.746 589 HG23 ILE 78 HG23 ILE 78 -33.281 -0.887 -1.400 590 HD11 ILE 78 HD11 ILE 78 -34.896 -1.105 -4.911 591 HD12 ILE 78 HD12 ILE 78 -35.060 -2.529 -5.951 592 HD13 ILE 78 HD13 ILE 78 -35.888 -2.488 -4.378 593 H SER 79 H SER 79 -33.665 -4.903 -0.367 594 HA SER 79 HA SER 79 -34.031 -7.202 -2.002 595 HB2 SER 79 HB2 SER 79 -32.547 -8.690 -0.623 596 HB3 SER 79 HB3 SER 79 -31.666 -7.533 -1.607 597 HG SER 79 HG SER 79 -30.728 -7.241 0.257 598 H ASN 80 H ASN 80 -34.612 -9.038 -0.198 599 HA ASN 80 HA ASN 80 -36.951 -8.066 1.205 600 HB2 ASN 80 HB2 ASN 80 -36.941 -10.297 0.273 601 HB3 ASN 80 HB3 ASN 80 -35.427 -10.712 1.095 602 HD21 ASN 80 HD21 ASN 80 -35.476 -11.467 3.277 603 HD22 ASN 80 HD22 ASN 80 -37.016 -11.640 4.111 604 H ASN 81 H ASN 81 -33.613 -8.753 2.110 605 HA ASN 81 HA ASN 81 -34.118 -7.916 4.916 606 HB2 ASN 81 HB2 ASN 81 -32.208 -9.596 5.419 607 HB3 ASN 81 HB3 ASN 81 -33.842 -10.175 5.192 608 HD21 ASN 81 HD21 ASN 81 -30.763 -9.745 3.367 609 HD22 ASN 81 HD22 ASN 81 -31.020 -11.155 2.346 610 HA PRO 82 HA PRO 82 -30.991 -5.242 2.755 611 HB2 PRO 82 HB2 PRO 82 -31.868 -2.819 3.726 612 HB3 PRO 82 HB3 PRO 82 -32.583 -3.641 2.297 613 HG2 PRO 82 HG2 PRO 82 -33.545 -3.695 5.178 614 HG3 PRO 82 HG3 PRO 82 -34.506 -3.356 3.700 615 HD2 PRO 82 HD2 PRO 82 -34.472 -5.813 4.815 616 HD3 PRO 82 HD3 PRO 82 -34.468 -5.628 3.038 617 H ASP 83 H ASP 83 -31.587 -6.083 5.996 618 HA ASP 83 HA ASP 83 -29.430 -4.367 7.106 619 HB2 ASP 83 HB2 ASP 83 -31.535 -4.667 8.339 620 HB3 ASP 83 HB3 ASP 83 -31.225 -6.408 8.451 621 H GLU 84 H GLU 84 -30.072 -7.637 6.092 622 HA GLU 84 HA GLU 84 -27.870 -8.964 7.355 623 HB2 GLU 84 HB2 GLU 84 -29.819 -9.545 5.157 624 HB3 GLU 84 HB3 GLU 84 -28.491 -10.662 5.377 625 HG2 GLU 84 HG2 GLU 84 -30.387 -9.918 7.624 626 HG3 GLU 84 HG3 GLU 84 -30.632 -11.282 6.565 627 H ILE 85 H ILE 85 -27.705 -6.678 5.089 628 HA ILE 85 HA ILE 85 -25.775 -7.744 3.190 629 HB ILE 85 HB ILE 85 -25.520 -5.449 2.428 630 HG12 ILE 85 HG12 ILE 85 -27.212 -4.607 4.828 631 HG13 ILE 85 HG13 ILE 85 -25.490 -4.307 4.624 632 HG21 ILE 85 HG21 ILE 85 -27.758 -5.083 1.630 633 HG22 ILE 85 HG22 ILE 85 -27.524 -6.824 1.786 634 HG23 ILE 85 HG23 ILE 85 -28.472 -5.957 3.009 635 HD11 ILE 85 HD11 ILE 85 -27.720 -3.125 2.942 636 HD12 ILE 85 HD12 ILE 85 -26.649 -2.288 4.075 637 HD13 ILE 85 HD13 ILE 85 -25.993 -2.964 2.565 638 H ARG 86 H ARG 86 -23.539 -6.407 3.031 639 HA ARG 86 HA ARG 86 -22.320 -6.356 5.758 640 HB2 ARG 86 HB2 ARG 86 -21.764 -8.307 3.965 641 HB3 ARG 86 HB3 ARG 86 -20.676 -7.063 3.341 642 HG2 ARG 86 HG2 ARG 86 -19.459 -8.472 4.809 643 HG3 ARG 86 HG3 ARG 86 -19.623 -6.890 5.555 644 HD2 ARG 86 HD2 ARG 86 -20.621 -7.718 7.385 645 HD3 ARG 86 HD3 ARG 86 -21.786 -8.615 6.453 646 HE ARG 86 HE ARG 86 -19.189 -9.524 7.465 647 HH11 ARG 86 HH11 ARG 86 -22.165 -10.458 5.736 648 HH12 ARG 86 HH12 ARG 86 -21.660 -12.074 5.430 649 HH21 ARG 86 HH21 ARG 86 -18.613 -11.728 7.241 650 HH22 ARG 86 HH22 ARG 86 -19.610 -12.862 6.417 651 H GLU 87 H GLU 87 -20.428 -4.855 5.954 652 HA GLU 87 HA GLU 87 -21.126 -2.355 4.639 653 HB2 GLU 87 HB2 GLU 87 -19.338 -1.370 5.948 654 HB3 GLU 87 HB3 GLU 87 -20.447 -2.283 6.965 655 HG2 GLU 87 HG2 GLU 87 -17.922 -3.606 5.928 656 HG3 GLU 87 HG3 GLU 87 -17.783 -2.416 7.185 657 H LYS 88 H LYS 88 -19.567 -1.011 3.518 658 HA LYS 88 HA LYS 88 -17.453 -2.481 2.027 659 HB2 LYS 88 HB2 LYS 88 -19.491 -2.293 0.638 660 HB3 LYS 88 HB3 LYS 88 -19.555 -0.551 0.951 661 HG2 LYS 88 HG2 LYS 88 -17.079 -0.699 -0.093 662 HG3 LYS 88 HG3 LYS 88 -17.765 -2.112 -0.888 663 HD2 LYS 88 HD2 LYS 88 -19.001 0.699 -0.955 664 HD3 LYS 88 HD3 LYS 88 -17.857 0.106 -2.129 665 HE2 LYS 88 HE2 LYS 88 -19.861 -0.162 -3.189 666 HE3 LYS 88 HE3 LYS 88 -19.370 -1.786 -2.692 667 HZ1 LYS 88 HZ1 LYS 88 -21.373 -0.148 -1.241 668 HZ2 LYS 88 HZ2 LYS 88 -20.979 -1.760 -0.983 669 HZ3 LYS 88 HZ3 LYS 88 -21.701 -1.345 -2.342 670 H LYS 89 H LYS 89 -15.646 -1.589 2.913 671 HA LYS 89 HA LYS 89 -15.502 1.276 3.612 672 HB2 LYS 89 HB2 LYS 89 -13.415 -0.921 3.961 673 HB3 LYS 89 HB3 LYS 89 -13.416 0.687 4.687 674 HG2 LYS 89 HG2 LYS 89 -15.437 0.034 6.025 675 HG3 LYS 89 HG3 LYS 89 -15.367 -1.584 5.292 676 HD2 LYS 89 HD2 LYS 89 -12.984 -1.781 6.158 677 HD3 LYS 89 HD3 LYS 89 -13.276 -0.278 7.079 678 HE2 LYS 89 HE2 LYS 89 -15.347 -1.505 8.005 679 HE3 LYS 89 HE3 LYS 89 -14.668 -2.964 7.248 680 HZ1 LYS 89 HZ1 LYS 89 -14.099 -2.569 9.694 681 HZ2 LYS 89 HZ2 LYS 89 -13.211 -1.311 9.248 682 HZ3 LYS 89 HZ3 LYS 89 -12.797 -2.840 8.740 683 HA PRO 90 HA PRO 90 -13.593 1.453 -0.579 684 HB2 PRO 90 HB2 PRO 90 -13.591 4.187 -0.877 685 HB3 PRO 90 HB3 PRO 90 -15.064 3.202 -1.081 686 HG2 PRO 90 HG2 PRO 90 -14.229 4.760 1.342 687 HG3 PRO 90 HG3 PRO 90 -15.846 4.662 0.571 688 HD2 PRO 90 HD2 PRO 90 -15.181 3.171 2.754 689 HD3 PRO 90 HD3 PRO 90 -16.296 2.593 1.491 690 H LEU 91 H LEU 91 -11.488 1.579 -1.130 691 HA LEU 91 HA LEU 91 -9.533 2.971 0.655 692 HB2 LEU 91 HB2 LEU 91 -9.134 0.396 -0.916 693 HB3 LEU 91 HB3 LEU 91 -7.998 1.143 0.196 694 HG LEU 91 HG LEU 91 -10.685 -0.098 0.964 695 HD11 LEU 91 HD11 LEU 91 -7.846 -1.166 1.144 696 HD12 LEU 91 HD12 LEU 91 -9.158 -1.746 0.098 697 HD13 LEU 91 HD13 LEU 91 -9.284 -1.934 1.858 698 HD21 LEU 91 HD21 LEU 91 -9.961 0.014 3.264 699 HD22 LEU 91 HD22 LEU 91 -9.886 1.646 2.604 700 HD23 LEU 91 HD23 LEU 91 -8.392 0.692 2.809 701 H ARG 92 H ARG 92 -9.343 4.853 -0.643 702 HA ARG 92 HA ARG 92 -8.959 4.542 -3.576 703 HB2 ARG 92 HB2 ARG 92 -9.663 6.900 -1.771 704 HB3 ARG 92 HB3 ARG 92 -9.300 7.031 -3.497 705 HG2 ARG 92 HG2 ARG 92 -11.214 5.511 -3.988 706 HG3 ARG 92 HG3 ARG 92 -11.646 5.492 -2.270 707 HD2 ARG 92 HD2 ARG 92 -12.332 7.720 -2.285 708 HD3 ARG 92 HD3 ARG 92 -11.226 8.136 -3.599 709 HE ARG 92 HE ARG 92 -13.762 6.604 -3.942 710 HH11 ARG 92 HH11 ARG 92 -11.778 9.348 -5.073 711 HH12 ARG 92 HH12 ARG 92 -12.306 9.214 -6.723 712 HH21 ARG 92 HH21 ARG 92 -14.362 6.379 -6.155 713 HH22 ARG 92 HH22 ARG 92 -13.803 7.509 -7.339 714 H TYR 93 H TYR 93 -6.825 4.493 -4.193 715 HA TYR 93 HA TYR 93 -4.842 5.675 -2.361 716 HB2 TYR 93 HB2 TYR 93 -4.499 3.781 -4.676 717 HB3 TYR 93 HB3 TYR 93 -3.216 4.466 -3.684 718 HD1 TYR 93 HD2 TYR 93 -6.105 2.099 -3.641 719 HD2 TYR 93 HD1 TYR 93 -2.758 3.698 -1.434 720 HE1 TYR 93 HE2 TYR 93 -6.464 0.401 -1.871 721 HE2 TYR 93 HE1 TYR 93 -3.099 2.006 0.310 722 HH TYR 93 HH TYR 93 -4.665 0.517 1.205 723 H GLY 94 H GLY 94 -3.222 7.087 -2.936 724 HA2 GLY 94 HA2 GLY 94 -3.696 9.064 -4.848 725 HA3 GLY 94 HA3 GLY 94 -2.991 8.951 -3.246 726 H LYS 95 H LYS 95 -1.651 10.241 -5.223 727 HA LYS 95 HA LYS 95 0.141 8.564 -6.777 728 HB2 LYS 95 HB2 LYS 95 -0.711 10.817 -7.373 729 HB3 LYS 95 HB3 LYS 95 0.183 11.517 -6.017 730 HG2 LYS 95 HG2 LYS 95 2.293 11.110 -7.048 731 HG3 LYS 95 HG3 LYS 95 1.586 10.023 -8.268 732 HD2 LYS 95 HD2 LYS 95 0.791 12.954 -7.967 733 HD3 LYS 95 HD3 LYS 95 2.126 12.459 -8.991 734 HE2 LYS 95 HE2 LYS 95 -0.650 11.262 -9.309 735 HE3 LYS 95 HE3 LYS 95 -0.169 12.747 -10.127 736 HZ1 LYS 95 HZ1 LYS 95 0.135 10.643 -11.389 737 HZ2 LYS 95 HZ2 LYS 95 1.385 10.269 -10.405 738 HZ3 LYS 95 HZ3 LYS 95 1.450 11.627 -11.338 739 H VAL 96 H VAL 96 2.731 9.002 -6.376 740 HA VAL 96 HA VAL 96 3.244 9.035 -3.459 741 HB VAL 96 HB VAL 96 4.527 7.210 -5.516 742 HG11 VAL 96 HG11 VAL 96 4.824 7.300 -2.477 743 HG12 VAL 96 HG12 VAL 96 5.587 6.132 -3.585 744 HG13 VAL 96 HG13 VAL 96 6.065 7.825 -3.640 745 HG21 VAL 96 HG21 VAL 96 3.416 5.385 -4.233 746 HG22 VAL 96 HG22 VAL 96 2.554 6.588 -3.249 747 HG23 VAL 96 HG23 VAL 96 2.237 6.451 -4.992 748 H TYR 97 H TYR 97 4.973 10.184 -2.748 749 HA TYR 97 HA TYR 97 6.525 11.728 -4.736 750 HB2 TYR 97 HB2 TYR 97 5.623 12.655 -1.986 751 HB3 TYR 97 HB3 TYR 97 6.342 13.602 -3.275 752 HD1 TYR 97 HD2 TYR 97 3.276 11.833 -2.073 753 HD2 TYR 97 HD1 TYR 97 4.910 14.621 -4.935 754 HE1 TYR 97 HE2 TYR 97 0.999 12.494 -2.685 755 HE2 TYR 97 HE1 TYR 97 2.656 15.304 -5.584 756 HH TYR 97 HH TYR 97 0.347 15.182 -4.986 757 H SER 98 H SER 98 8.597 12.566 -3.708 758 HA SER 98 HA SER 98 9.983 10.403 -2.177 759 HB2 SER 98 HB2 SER 98 10.939 10.620 -4.295 760 HB3 SER 98 HB3 SER 98 10.889 12.396 -4.273 761 HG SER 98 HG SER 98 12.526 12.244 -2.569 762 H THR 99 H THR 99 11.015 10.925 -0.331 763 HA THR 99 HA THR 99 10.391 13.409 1.008 764 HB THR 99 HB THR 99 12.140 12.413 2.675 765 HG1 THR 99 HG1 THR 99 13.173 10.961 1.264 766 HG21 THR 99 HG21 THR 99 10.563 10.739 3.504 767 HG22 THR 99 HG22 THR 99 9.727 10.681 1.946 768 HG23 THR 99 HG23 THR 99 9.663 12.157 2.946 769 H ASN 100 H ASN 100 12.289 14.724 2.009 770 HA ASN 100 HA ASN 100 13.774 15.966 -0.137 771 HB2 ASN 100 HB2 ASN 100 12.838 17.129 1.891 772 HB3 ASN 100 HB3 ASN 100 14.060 16.307 2.872 773 HD21 ASN 100 HD21 ASN 100 13.417 19.003 0.836 774 HD22 ASN 100 HD22 ASN 100 15.064 19.601 0.726 775 H GLU 101 H GLU 101 15.171 14.389 -1.034 776 HA GLU 101 HA GLU 101 17.523 13.560 0.458 777 HB2 GLU 101 HB2 GLU 101 15.465 11.723 -0.801 778 HB3 GLU 101 HB3 GLU 101 17.175 11.296 -0.750 779 HG2 GLU 101 HG2 GLU 101 15.706 12.075 1.785 780 HG3 GLU 101 HG3 GLU 101 15.525 10.480 1.138 781 H ASP 102 H ASP 102 18.662 14.583 -0.763 782 HA ASP 102 HA ASP 102 18.474 14.809 -3.720 783 HB2 ASP 102 HB2 ASP 102 19.133 16.798 -2.280 784 HB3 ASP 102 HB3 ASP 102 20.693 16.017 -2.032 785 H SER 103 H SER 103 19.014 12.208 -2.479 786 HA SER 103 HA SER 103 21.574 11.456 -3.784 787 HB2 SER 103 HB2 SER 103 21.572 11.536 -1.199 788 HB3 SER 103 HB3 SER 103 20.402 10.202 -1.277 789 HG SER 103 HG SER 103 22.438 9.459 -0.960 790 H ASP 104 H ASP 104 21.539 8.978 -4.020 791 HA ASP 104 HA ASP 104 19.207 8.237 -5.575 792 HB2 ASP 104 HB2 ASP 104 21.783 7.943 -6.011 793 HB3 ASP 104 HB3 ASP 104 21.626 6.514 -5.008 794 H ALA 105 H ALA 105 19.660 8.129 -2.425 795 HA ALA 105 HA ALA 105 19.316 5.690 -1.293 796 HB1 ALA 105 HB1 ALA 105 18.291 6.912 0.595 797 HB2 ALA 105 HB2 ALA 105 19.690 7.766 -0.083 798 HB3 ALA 105 HB3 ALA 105 18.049 8.331 -0.443 799 H LYS 106 H LYS 106 16.386 7.759 -1.715 800 HA LYS 106 HA LYS 106 14.191 7.213 -1.823 801 HB2 LYS 106 HB2 LYS 106 15.164 5.130 -3.788 802 HB3 LYS 106 HB3 LYS 106 13.484 5.633 -3.546 803 HG2 LYS 106 HG2 LYS 106 14.234 8.022 -4.088 804 HG3 LYS 106 HG3 LYS 106 15.755 7.295 -4.651 805 HD2 LYS 106 HD2 LYS 106 14.329 5.763 -6.127 806 HD3 LYS 106 HD3 LYS 106 12.912 6.685 -5.642 807 HE2 LYS 106 HE2 LYS 106 13.705 7.364 -7.837 808 HE3 LYS 106 HE3 LYS 106 13.827 8.708 -6.701 809 HZ1 LYS 106 HZ1 LYS 106 16.144 6.962 -7.228 810 HZ2 LYS 106 HZ2 LYS 106 16.152 8.504 -6.674 811 HZ3 LYS 106 HZ3 LYS 106 15.809 8.209 -8.240 812 H ASP 107 H ASP 107 15.412 6.118 0.518 813 HA ASP 107 HA ASP 107 14.158 3.444 0.786 814 HB2 ASP 107 HB2 ASP 107 15.243 3.151 2.825 815 HB3 ASP 107 HB3 ASP 107 16.446 3.754 1.692 816 H GLU 108 H GLU 108 13.476 6.788 1.291 817 HA GLU 108 HA GLU 108 10.994 6.071 2.790 818 HB2 GLU 108 HB2 GLU 108 13.047 8.216 3.266 819 HB3 GLU 108 HB3 GLU 108 11.327 8.581 3.556 820 HG2 GLU 108 HG2 GLU 108 11.143 6.607 5.099 821 HG3 GLU 108 HG3 GLU 108 12.870 6.294 4.820 822 H ILE 109 H ILE 109 9.194 7.034 2.054 823 HA ILE 109 HA ILE 109 9.208 8.945 -0.205 824 HB ILE 109 HB ILE 109 7.661 7.466 -1.504 825 HG12 ILE 109 HG12 ILE 109 8.167 4.861 -0.812 826 HG13 ILE 109 HG13 ILE 109 8.084 5.581 0.785 827 HG21 ILE 109 HG21 ILE 109 9.291 5.990 -2.504 828 HG22 ILE 109 HG22 ILE 109 9.920 7.611 -2.218 829 HG23 ILE 109 HG23 ILE 109 10.409 6.251 -1.160 830 HD11 ILE 109 HD11 ILE 109 5.986 5.594 -1.382 831 HD12 ILE 109 HD12 ILE 109 5.902 4.919 0.250 832 HD13 ILE 109 HD13 ILE 109 5.873 6.663 0.030 833 H ILE 110 H ILE 110 6.741 9.516 -0.714 834 HA ILE 110 HA ILE 110 5.144 9.294 1.774 835 HB ILE 110 HB ILE 110 5.209 11.694 -0.063 836 HG12 ILE 110 HG12 ILE 110 6.827 11.092 2.436 837 HG13 ILE 110 HG13 ILE 110 7.440 11.492 0.838 838 HG21 ILE 110 HG21 ILE 110 3.980 12.777 1.698 839 HG22 ILE 110 HG22 ILE 110 3.170 11.245 1.388 840 HG23 ILE 110 HG23 ILE 110 4.231 11.404 2.801 841 HD11 ILE 110 HD11 ILE 110 7.769 13.443 1.906 842 HD12 ILE 110 HD12 ILE 110 6.199 13.717 1.116 843 HD13 ILE 110 HD13 ILE 110 6.270 13.336 2.860 844 H VAL 111 H VAL 111 3.474 8.070 1.392 845 HA VAL 111 HA VAL 111 2.362 7.584 -1.310 846 HB VAL 111 HB VAL 111 1.699 6.464 1.447 847 HG11 VAL 111 HG11 VAL 111 -0.202 6.122 -0.109 848 HG12 VAL 111 HG12 VAL 111 0.903 5.358 -1.269 849 HG13 VAL 111 HG13 VAL 111 0.542 4.620 0.322 850 HG21 VAL 111 HG21 VAL 111 3.454 5.167 -0.633 851 HG22 VAL 111 HG22 VAL 111 3.954 5.879 0.934 852 HG23 VAL 111 HG23 VAL 111 2.934 4.483 0.941 853 H GLU 112 H GLU 112 0.296 8.425 -1.889 854 HA GLU 112 HA GLU 112 -1.046 10.099 0.148 855 HB2 GLU 112 HB2 GLU 112 -0.584 11.012 -2.085 856 HB3 GLU 112 HB3 GLU 112 -1.305 9.721 -2.745 857 HG2 GLU 112 HG2 GLU 112 -3.513 10.470 -1.479 858 HG3 GLU 112 HG3 GLU 112 -2.684 11.949 -1.136 859 H PHE 113 H PHE 113 -3.180 9.460 0.849 860 HA PHE 113 HA PHE 113 -4.633 7.303 -0.495 861 HB2 PHE 113 HB2 PHE 113 -3.059 6.178 1.079 862 HB3 PHE 113 HB3 PHE 113 -3.726 7.113 2.416 863 HD1 PHE 113 HD2 PHE 113 -5.010 5.012 -0.425 864 HD2 PHE 113 HD1 PHE 113 -5.078 5.765 3.791 865 HE1 PHE 113 HE2 PHE 113 -6.565 3.169 -0.167 866 HE2 PHE 113 HE1 PHE 113 -6.621 3.865 4.101 867 HZ PHE 113 HZ PHE 113 -7.436 2.575 2.126 868 H ASN 114 H ASN 114 -6.873 7.568 -0.114 869 HA ASN 114 HA ASN 114 -8.766 8.780 0.314 870 HB2 ASN 114 HB2 ASN 114 -7.537 8.949 3.097 871 HB3 ASN 114 HB3 ASN 114 -9.206 9.310 2.731 872 HD21 ASN 114 HD21 ASN 114 -10.109 7.175 1.156 873 HD22 ASN 114 HD22 ASN 114 -9.958 5.737 2.147 874 H ARG 115 H ARG 115 -6.626 10.320 -0.802 875 HA ARG 115 HA ARG 115 -6.106 12.358 -1.484 876 HB2 ARG 115 HB2 ARG 115 -8.212 13.898 -0.059 877 HB3 ARG 115 HB3 ARG 115 -7.527 14.077 -1.643 878 HG2 ARG 115 HG2 ARG 115 -9.566 13.468 -2.273 879 HG3 ARG 115 HG3 ARG 115 -8.905 11.829 -2.156 880 HD2 ARG 115 HD2 ARG 115 -10.173 11.381 -0.217 881 HD3 ARG 115 HD3 ARG 115 -10.035 13.027 0.335 882 HE ARG 115 HE ARG 115 -11.870 12.366 -1.893 883 HH11 ARG 115 HH11 ARG 115 -11.330 13.769 1.368 884 HH12 ARG 115 HH12 ARG 115 -12.942 14.340 1.525 885 HH21 ARG 115 HH21 ARG 115 -13.962 13.274 -1.739 886 HH22 ARG 115 HH22 ARG 115 -14.437 14.116 -0.285 887 H GLU 116 H GLU 116 -4.960 11.352 1.130 888 HA GLU 116 HA GLU 116 -4.008 13.926 2.153 889 HB2 GLU 116 HB2 GLU 116 -4.564 11.429 3.796 890 HB3 GLU 116 HB3 GLU 116 -3.911 12.950 4.392 891 HG2 GLU 116 HG2 GLU 116 -6.722 12.400 3.396 892 HG3 GLU 116 HG3 GLU 116 -6.215 12.697 5.047 893 H TYR 117 H TYR 117 -1.791 13.740 2.878 894 HA TYR 117 HA TYR 117 -0.321 11.605 1.446 895 HB2 TYR 117 HB2 TYR 117 0.719 14.205 2.581 896 HB3 TYR 117 HB3 TYR 117 1.499 13.133 1.400 897 HD1 TYR 117 HD1 TYR 117 -0.312 12.561 -0.629 898 HD2 TYR 117 HD2 TYR 117 -0.268 16.152 1.713 899 HE1 TYR 117 HE1 TYR 117 -1.454 13.748 -2.494 900 HE2 TYR 117 HE2 TYR 117 -1.704 17.257 -0.005 901 HH TYR 117 HH TYR 117 -2.531 17.145 -2.193 902 H TYR 118 H TYR 118 0.851 10.111 2.403 903 HA TYR 118 HA TYR 118 1.384 10.324 5.341 904 HB2 TYR 118 HB2 TYR 118 0.634 7.875 3.722 905 HB3 TYR 118 HB3 TYR 118 1.116 7.864 5.413 906 HD1 TYR 118 HD1 TYR 118 -1.540 8.853 3.033 907 HD2 TYR 118 HD2 TYR 118 -0.347 8.710 7.172 908 HE1 TYR 118 HE1 TYR 118 -3.855 9.311 3.696 909 HE2 TYR 118 HE2 TYR 118 -2.680 9.119 7.869 910 HH TYR 118 HH TYR 118 -5.324 8.741 5.833 911 H ARG 119 H ARG 119 3.442 10.160 5.945 912 HA ARG 119 HA ARG 119 5.507 9.573 3.961 913 HB2 ARG 119 HB2 ARG 119 5.753 11.267 5.791 914 HB3 ARG 119 HB3 ARG 119 5.819 9.964 6.982 915 HG2 ARG 119 HG2 ARG 119 7.660 9.923 4.581 916 HG3 ARG 119 HG3 ARG 119 8.007 11.081 5.869 917 HD2 ARG 119 HD2 ARG 119 7.816 8.067 6.273 918 HD3 ARG 119 HD3 ARG 119 9.291 8.995 6.050 919 HE ARG 119 HE ARG 119 7.600 9.879 8.311 920 HH11 ARG 119 HH11 ARG 119 10.622 8.285 7.422 921 HH12 ARG 119 HH12 ARG 119 10.892 7.587 8.982 922 HH21 ARG 119 HH21 ARG 119 8.154 9.385 10.380 923 HH22 ARG 119 HH22 ARG 119 9.494 8.293 10.734 924 H ALA 120 H ALA 120 6.468 7.627 3.618 925 HA ALA 120 HA ALA 120 5.812 5.357 5.409 926 HB1 ALA 120 HB1 ALA 120 5.408 3.988 3.487 927 HB2 ALA 120 HB2 ALA 120 4.474 5.486 3.256 928 HB3 ALA 120 HB3 ALA 120 6.006 5.257 2.399 929 H VAL 121 H VAL 121 7.431 3.576 5.119 930 HA VAL 121 HA VAL 121 10.131 4.484 4.152 931 HB VAL 121 HB VAL 121 9.754 2.500 6.410 932 HG11 VAL 121 HG11 VAL 121 12.039 4.270 5.473 933 HG12 VAL 121 HG12 VAL 121 12.030 3.500 7.061 934 HG13 VAL 121 HG13 VAL 121 11.977 2.499 5.617 935 HG21 VAL 121 HG21 VAL 121 10.331 5.331 7.159 936 HG22 VAL 121 HG22 VAL 121 8.679 4.699 7.094 937 HG23 VAL 121 HG23 VAL 121 9.879 3.865 8.105 938 H LEU 122 H LEU 122 11.434 2.844 3.309 939 HA LEU 122 HA LEU 122 10.180 0.644 1.980 940 HB2 LEU 122 HB2 LEU 122 12.167 2.059 1.234 941 HB3 LEU 122 HB3 LEU 122 13.165 1.259 2.454 942 HG LEU 122 HG LEU 122 12.839 -0.848 1.340 943 HD11 LEU 122 HD11 LEU 122 11.690 -0.817 -1.014 944 HD12 LEU 122 HD12 LEU 122 10.968 0.688 -0.467 945 HD13 LEU 122 HD13 LEU 122 10.623 -0.823 0.397 946 HD21 LEU 122 HD21 LEU 122 13.911 -0.388 -0.893 947 HD22 LEU 122 HD22 LEU 122 14.668 0.557 0.420 948 HD23 LEU 122 HD23 LEU 122 13.514 1.318 -0.690 949 H ILE 123 H ILE 123 9.614 -1.307 3.031 950 HA ILE 123 HA ILE 123 10.374 -1.543 5.820 951 HB ILE 123 HB ILE 123 8.767 -3.311 3.872 952 HG12 ILE 123 HG12 ILE 123 7.720 -2.076 6.397 953 HG13 ILE 123 HG13 ILE 123 8.010 -1.023 4.997 954 HG21 ILE 123 HG21 ILE 123 7.979 -4.633 5.890 955 HG22 ILE 123 HG22 ILE 123 9.660 -4.937 5.475 956 HG23 ILE 123 HG23 ILE 123 9.268 -3.874 6.837 957 HD11 ILE 123 HD11 ILE 123 5.656 -1.932 5.165 958 HD12 ILE 123 HD12 ILE 123 6.507 -2.161 3.634 959 HD13 ILE 123 HD13 ILE 123 6.321 -3.527 4.762 960 H LYS 124 H LYS 124 10.816 -3.367 2.797 961 HA LYS 124 HA LYS 124 12.300 -5.569 3.591 962 HB2 LYS 124 HB2 LYS 124 13.382 -5.040 1.238 963 HB3 LYS 124 HB3 LYS 124 11.780 -5.712 1.351 964 HG2 LYS 124 HG2 LYS 124 10.793 -3.605 0.798 965 HG3 LYS 124 HG3 LYS 124 12.278 -2.755 1.158 966 HD2 LYS 124 HD2 LYS 124 12.086 -4.708 -1.135 967 HD3 LYS 124 HD3 LYS 124 11.740 -2.984 -1.291 968 HE2 LYS 124 HE2 LYS 124 14.021 -2.399 -0.580 969 HE3 LYS 124 HE3 LYS 124 14.338 -4.086 -0.197 970 HZ1 LYS 124 HZ1 LYS 124 15.356 -3.504 -2.196 971 HZ2 LYS 124 HZ2 LYS 124 13.985 -3.052 -2.933 972 HZ3 LYS 124 HZ3 LYS 124 14.197 -4.641 -2.503 973 H ASN 125 H ASN 125 13.380 -2.239 3.067 974 HA ASN 125 HA ASN 125 16.177 -2.686 3.143 975 HB2 ASN 125 HB2 ASN 125 15.163 -0.621 2.355 976 HB3 ASN 125 HB3 ASN 125 14.472 -0.295 3.958 977 HD21 ASN 125 HD21 ASN 125 15.594 1.577 4.637 978 HD22 ASN 125 HD22 ASN 125 17.304 1.753 4.392 979 H GLU 126 H GLU 126 13.828 -1.910 5.857 980 HA GLU 126 HA GLU 126 15.968 -2.128 7.758 981 HB2 GLU 126 HB2 GLU 126 14.324 -1.769 9.477 982 HB3 GLU 126 HB3 GLU 126 14.126 -0.590 8.192 983 HG2 GLU 126 HG2 GLU 126 12.138 -1.633 7.389 984 HG3 GLU 126 HG3 GLU 126 12.403 -3.097 8.352 985 H LYS 127 H LYS 127 14.044 -4.344 6.317 986 HA LYS 127 HA LYS 127 13.503 -6.577 6.533 987 HB2 LYS 127 HB2 LYS 127 16.360 -6.320 7.293 988 HB3 LYS 127 HB3 LYS 127 15.586 -7.897 7.535 989 HG2 LYS 127 HG2 LYS 127 14.835 -7.260 4.933 990 HG3 LYS 127 HG3 LYS 127 16.443 -6.520 5.067 991 HD2 LYS 127 HD2 LYS 127 16.803 -8.722 4.231 992 HD3 LYS 127 HD3 LYS 127 17.252 -8.777 5.946 993 HE2 LYS 127 HE2 LYS 127 14.804 -9.532 6.383 994 HE3 LYS 127 HE3 LYS 127 14.649 -9.694 4.630 995 HZ1 LYS 127 HZ1 LYS 127 16.494 -11.316 4.752 996 HZ2 LYS 127 HZ2 LYS 127 15.163 -11.766 5.650 997 HZ3 LYS 127 HZ3 LYS 127 16.497 -11.176 6.389 998 H GLU 128 H GLU 128 11.901 -5.717 8.017 999 HA GLU 128 HA GLU 128 12.155 -6.830 10.762 1000 HB2 GLU 128 HB2 GLU 128 12.071 -4.374 10.649 1001 HB3 GLU 128 HB3 GLU 128 10.600 -4.451 9.684 1002 HG2 GLU 128 HG2 GLU 128 10.017 -3.924 11.963 1003 HG3 GLU 128 HG3 GLU 128 9.394 -5.518 11.576 Start of MODEL 20 1 H1 GLY 1 H GLY 1 26.337 -30.584 -9.127 2 HA2 GLY 1 HA2 GLY 1 28.900 -32.097 -9.179 3 HA3 GLY 1 HA3 GLY 1 28.733 -30.348 -8.855 4 H SER 2 H SER 2 29.824 -30.720 -6.694 5 HA SER 2 HA SER 2 28.148 -32.139 -4.711 6 HB2 SER 2 HB2 SER 2 30.406 -31.916 -3.443 7 HB3 SER 2 HB3 SER 2 30.276 -33.098 -4.755 8 HG SER 2 HG SER 2 32.183 -31.731 -4.811 9 H THR 3 H THR 3 28.766 -28.972 -5.847 10 HA THR 3 HA THR 3 28.229 -27.733 -3.211 11 HB THR 3 HB THR 3 29.291 -25.741 -4.476 12 HG1 THR 3 HG1 THR 3 30.685 -26.381 -6.156 13 HG21 THR 3 HG21 THR 3 31.085 -28.160 -3.956 14 HG22 THR 3 HG22 THR 3 30.503 -27.025 -2.720 15 HG23 THR 3 HG23 THR 3 31.586 -26.454 -3.997 16 H MET 4 H MET 4 26.894 -25.744 -3.380 17 HA MET 4 HA MET 4 24.619 -26.158 -5.229 18 HB2 MET 4 HB2 MET 4 23.422 -24.651 -3.759 19 HB3 MET 4 HB3 MET 4 24.116 -26.005 -2.896 20 HG2 MET 4 HG2 MET 4 25.843 -24.624 -1.943 21 HG3 MET 4 HG3 MET 4 25.436 -23.274 -3.008 22 HE1 MET 4 HE1 MET 4 24.105 -25.593 -0.093 23 HE2 MET 4 HE2 MET 4 22.653 -24.708 0.427 24 HE3 MET 4 HE3 MET 4 22.665 -25.529 -1.142 25 H HIS 5 H HIS 5 27.373 -24.851 -5.869 26 HA HIS 5 HA HIS 5 26.920 -22.126 -6.561 27 HB2 HIS 5 HB2 HIS 5 28.920 -24.070 -7.735 28 HB3 HIS 5 HB3 HIS 5 28.995 -22.315 -7.796 29 HD1 HIS 5 HD1 HIS 5 31.491 -23.365 -6.644 30 HD2 HIS 5 HD2 HIS 5 28.041 -22.795 -4.299 31 HE1 HIS 5 HE1 HIS 5 32.255 -23.357 -4.202 32 H PHE 6 H PHE 6 25.345 -24.722 -7.860 33 HA PHE 6 HA PHE 6 25.470 -24.220 -10.680 34 HB2 PHE 6 HB2 PHE 6 25.041 -26.401 -9.458 35 HB3 PHE 6 HB3 PHE 6 23.426 -25.805 -9.093 36 HD1 PHE 6 HD1 PHE 6 25.738 -26.121 -12.099 37 HD2 PHE 6 HD2 PHE 6 21.717 -26.542 -10.561 38 HE1 PHE 6 HE1 PHE 6 24.991 -26.972 -14.279 39 HE2 PHE 6 HE2 PHE 6 20.982 -27.414 -12.761 40 HZ PHE 6 HZ PHE 6 22.613 -27.635 -14.625 41 H THR 7 H THR 7 24.537 -21.883 -8.880 42 HA THR 7 HA THR 7 22.518 -20.979 -10.649 43 HB THR 7 HB THR 7 21.180 -22.298 -8.894 44 HG1 THR 7 HG1 THR 7 19.622 -20.512 -8.889 45 HG21 THR 7 HG21 THR 7 20.627 -21.212 -6.825 46 HG22 THR 7 HG22 THR 7 21.615 -19.795 -7.210 47 HG23 THR 7 HG23 THR 7 22.394 -21.353 -6.884 48 H ASP 8 H ASP 8 21.888 -18.678 -9.868 49 HA ASP 8 HA ASP 8 24.353 -17.211 -9.044 50 HB2 ASP 8 HB2 ASP 8 22.121 -16.615 -11.036 51 HB3 ASP 8 HB3 ASP 8 23.270 -15.393 -10.518 52 H ASP 9 H ASP 9 23.278 -14.764 -8.770 53 HA ASP 9 HA ASP 9 21.922 -14.815 -6.184 54 HB2 ASP 9 HB2 ASP 9 22.322 -12.437 -6.203 55 HB3 ASP 9 HB3 ASP 9 23.806 -13.268 -6.652 56 H ASN 10 H ASN 10 19.973 -13.577 -5.825 57 HA ASN 10 HA ASN 10 18.211 -13.116 -8.166 58 HB2 ASN 10 HB2 ASN 10 17.655 -15.367 -7.297 59 HB3 ASN 10 HB3 ASN 10 17.597 -14.736 -5.649 60 HD21 ASN 10 HD21 ASN 10 15.423 -15.121 -5.168 61 HD22 ASN 10 HD22 ASN 10 14.140 -14.340 -6.078 62 H GLU 11 H GLU 11 16.283 -11.788 -7.398 63 HA GLU 11 HA GLU 11 17.238 -9.484 -5.915 64 HB2 GLU 11 HB2 GLU 11 14.945 -8.636 -6.282 65 HB3 GLU 11 HB3 GLU 11 15.744 -9.137 -7.768 66 HG2 GLU 11 HG2 GLU 11 14.374 -11.062 -7.996 67 HG3 GLU 11 HG3 GLU 11 13.847 -10.993 -6.312 68 H ASN 12 H ASN 12 15.438 -8.646 -4.191 69 HA ASN 12 HA ASN 12 14.501 -10.754 -2.388 70 HB2 ASN 12 HB2 ASN 12 16.829 -10.611 -1.681 71 HB3 ASN 12 HB3 ASN 12 16.733 -8.845 -1.601 72 HD21 ASN 12 HD21 ASN 12 17.432 -9.072 0.649 73 HD22 ASN 12 HD22 ASN 12 16.225 -9.505 1.870 74 H ASP 13 H ASP 13 12.545 -9.783 -3.168 75 HA ASP 13 HA ASP 13 11.920 -7.208 -1.884 76 HB2 ASP 13 HB2 ASP 13 11.319 -8.027 -4.746 77 HB3 ASP 13 HB3 ASP 13 10.469 -6.730 -3.881 78 H THR 14 H THR 14 9.459 -6.977 -1.814 79 HA THR 14 HA THR 14 8.563 -8.980 -0.094 80 HB THR 14 HB THR 14 7.856 -6.636 -0.042 81 HG1 THR 14 HG1 THR 14 6.796 -8.232 1.037 82 HG21 THR 14 HG21 THR 14 5.867 -5.894 -1.411 83 HG22 THR 14 HG22 THR 14 6.060 -7.290 -2.436 84 HG23 THR 14 HG23 THR 14 7.338 -6.074 -2.376 85 H SER 15 H SER 15 7.805 -8.620 -3.484 86 HA SER 15 HA SER 15 6.841 -9.957 -5.028 87 HB2 SER 15 HB2 SER 15 7.494 -12.131 -3.017 88 HB3 SER 15 HB3 SER 15 6.942 -12.421 -4.675 89 HG SER 15 HG SER 15 9.306 -10.995 -3.959 90 H GLU 16 H GLU 16 5.103 -8.488 -3.395 91 HA GLU 16 HA GLU 16 2.699 -10.181 -3.456 92 HB2 GLU 16 HB2 GLU 16 1.940 -9.688 -1.347 93 HB3 GLU 16 HB3 GLU 16 3.667 -10.010 -1.116 94 HG2 GLU 16 HG2 GLU 16 4.125 -7.606 -1.008 95 HG3 GLU 16 HG3 GLU 16 2.413 -7.296 -1.101 96 H THR 17 H THR 17 0.703 -8.317 -2.913 97 HA THR 17 HA THR 17 1.348 -6.017 -4.678 98 HB THR 17 HB THR 17 -0.586 -6.368 -6.047 99 HG1 THR 17 HG1 THR 17 -1.105 -8.674 -4.443 100 HG21 THR 17 HG21 THR 17 0.880 -8.986 -5.757 101 HG22 THR 17 HG22 THR 17 1.572 -7.498 -6.470 102 HG23 THR 17 HG23 THR 17 0.179 -8.268 -7.244 103 H MET 18 H MET 18 -0.457 -4.399 -4.779 104 HA MET 18 HA MET 18 -1.002 -3.675 -2.208 105 HB2 MET 18 HB2 MET 18 -2.197 -2.878 -4.864 106 HB3 MET 18 HB3 MET 18 -2.899 -2.220 -3.390 107 HG2 MET 18 HG2 MET 18 0.078 -2.137 -3.835 108 HG3 MET 18 HG3 MET 18 -0.956 -0.941 -4.588 109 HE1 MET 18 HE1 MET 18 -1.901 -0.760 -0.076 110 HE2 MET 18 HE2 MET 18 -2.959 -1.362 -1.354 111 HE3 MET 18 HE3 MET 18 -1.590 -2.341 -0.773 112 H GLU 19 H GLU 19 -2.954 -5.614 -4.517 113 HA GLU 19 HA GLU 19 -5.409 -5.678 -3.085 114 HB2 GLU 19 HB2 GLU 19 -4.115 -7.636 -5.025 115 HB3 GLU 19 HB3 GLU 19 -5.735 -7.834 -4.329 116 HG2 GLU 19 HG2 GLU 19 -6.334 -5.618 -5.302 117 HG3 GLU 19 HG3 GLU 19 -4.811 -5.649 -6.215 118 H SER 20 H SER 20 -2.584 -7.938 -3.094 119 HA SER 20 HA SER 20 -3.576 -9.829 -1.275 120 HB2 SER 20 HB2 SER 20 -0.645 -9.060 -1.301 121 HB3 SER 20 HB3 SER 20 -1.379 -10.665 -1.224 122 HG SER 20 HG SER 20 -0.706 -10.611 -3.270 123 H LEU 21 H LEU 21 -2.141 -6.725 -0.768 124 HA LEU 21 HA LEU 21 -1.509 -7.052 2.053 125 HB2 LEU 21 HB2 LEU 21 -2.150 -4.430 0.601 126 HB3 LEU 21 HB3 LEU 21 -1.442 -4.607 2.178 127 HG LEU 21 HG LEU 21 -0.273 -4.756 -0.519 128 HD11 LEU 21 HD11 LEU 21 1.433 -3.388 0.517 129 HD12 LEU 21 HD12 LEU 21 0.722 -3.690 2.125 130 HD13 LEU 21 HD13 LEU 21 -0.191 -2.796 0.909 131 HD21 LEU 21 HD21 LEU 21 0.544 -6.851 -0.030 132 HD22 LEU 21 HD22 LEU 21 0.724 -6.495 1.724 133 HD23 LEU 21 HD23 LEU 21 1.842 -5.766 0.504 134 H ILE 22 H ILE 22 -4.071 -5.307 0.283 135 HA ILE 22 HA ILE 22 -5.634 -4.642 2.520 136 HB ILE 22 HB ILE 22 -6.401 -5.084 -0.394 137 HG12 ILE 22 HG12 ILE 22 -5.841 -2.493 1.141 138 HG13 ILE 22 HG13 ILE 22 -4.645 -3.325 0.152 139 HG21 ILE 22 HG21 ILE 22 -8.368 -5.226 1.004 140 HG22 ILE 22 HG22 ILE 22 -7.873 -3.801 1.928 141 HG23 ILE 22 HG23 ILE 22 -8.395 -3.658 0.212 142 HD11 ILE 22 HD11 ILE 22 -6.265 -3.168 -1.796 143 HD12 ILE 22 HD12 ILE 22 -7.225 -2.051 -0.793 144 HD13 ILE 22 HD13 ILE 22 -5.553 -1.645 -1.237 145 H ASP 23 H ASP 23 -5.776 -7.522 0.398 146 HA ASP 23 HA ASP 23 -8.074 -8.624 1.633 147 HB2 ASP 23 HB2 ASP 23 -7.002 -9.314 -0.569 148 HB3 ASP 23 HB3 ASP 23 -5.886 -10.285 0.377 149 H LYS 24 H LYS 24 -4.917 -8.375 2.971 150 HA LYS 24 HA LYS 24 -5.594 -10.467 5.028 151 HB2 LYS 24 HB2 LYS 24 -3.402 -10.944 5.184 152 HB3 LYS 24 HB3 LYS 24 -3.244 -10.134 3.648 153 HG2 LYS 24 HG2 LYS 24 -1.587 -9.039 4.740 154 HG3 LYS 24 HG3 LYS 24 -2.863 -7.961 5.150 155 HD2 LYS 24 HD2 LYS 24 -2.870 -10.004 7.197 156 HD3 LYS 24 HD3 LYS 24 -1.202 -9.577 6.913 157 HE2 LYS 24 HE2 LYS 24 -2.656 -7.112 7.091 158 HE3 LYS 24 HE3 LYS 24 -3.326 -8.131 8.346 159 HZ1 LYS 24 HZ1 LYS 24 -1.424 -8.043 9.516 160 HZ2 LYS 24 HZ2 LYS 24 -1.224 -6.628 8.758 161 HZ3 LYS 24 HZ3 LYS 24 -0.408 -7.966 8.215 162 H GLY 25 H GLY 25 -5.580 -7.073 4.453 163 HA2 GLY 25 HA2 GLY 25 -6.572 -5.523 5.949 164 HA3 GLY 25 HA3 GLY 25 -6.106 -6.524 7.329 165 H LYS 26 H LYS 26 -3.867 -5.750 4.659 166 HA LYS 26 HA LYS 26 -2.065 -4.366 6.611 167 HB2 LYS 26 HB2 LYS 26 -1.565 -5.851 4.069 168 HB3 LYS 26 HB3 LYS 26 -0.502 -4.481 4.476 169 HG2 LYS 26 HG2 LYS 26 -0.175 -5.541 6.742 170 HG3 LYS 26 HG3 LYS 26 -0.960 -6.969 6.059 171 HD2 LYS 26 HD2 LYS 26 1.530 -5.825 4.928 172 HD3 LYS 26 HD3 LYS 26 1.542 -6.983 6.236 173 HE2 LYS 26 HE2 LYS 26 0.346 -8.648 4.876 174 HE3 LYS 26 HE3 LYS 26 0.288 -7.511 3.515 175 HZ1 LYS 26 HZ1 LYS 26 2.634 -8.882 4.642 176 HZ2 LYS 26 HZ2 LYS 26 2.796 -7.531 3.716 177 HZ3 LYS 26 HZ3 LYS 26 2.111 -8.850 3.077 178 H LEU 27 H LEU 27 -3.597 -2.558 6.683 179 HA LEU 27 HA LEU 27 -3.571 -0.819 4.248 180 HB2 LEU 27 HB2 LEU 27 -5.024 -0.395 6.896 181 HB3 LEU 27 HB3 LEU 27 -5.125 0.594 5.459 182 HG LEU 27 HG LEU 27 -7.113 -0.532 5.449 183 HD11 LEU 27 HD11 LEU 27 -6.024 -0.678 3.229 184 HD12 LEU 27 HD12 LEU 27 -7.135 -2.025 3.538 185 HD13 LEU 27 HD13 LEU 27 -5.390 -2.290 3.657 186 HD21 LEU 27 HD21 LEU 27 -6.561 -2.214 7.199 187 HD22 LEU 27 HD22 LEU 27 -5.772 -3.190 5.942 188 HD23 LEU 27 HD23 LEU 27 -7.504 -2.869 5.854 189 H ASP 28 H ASP 28 -1.663 -1.470 6.850 190 HA ASP 28 HA ASP 28 -0.858 1.216 7.612 191 HB2 ASP 28 HB2 ASP 28 0.390 -1.478 8.330 192 HB3 ASP 28 HB3 ASP 28 0.495 0.019 9.249 193 H GLN 29 H GLN 29 -0.240 -0.737 4.974 194 HA GLN 29 HA GLN 29 2.241 0.571 4.364 195 HB2 GLN 29 HB2 GLN 29 3.426 -1.609 3.893 196 HB3 GLN 29 HB3 GLN 29 3.169 -1.195 5.578 197 HG2 GLN 29 HG2 GLN 29 1.032 -2.750 5.333 198 HG3 GLN 29 HG3 GLN 29 1.989 -3.411 3.988 199 HE21 GLN 29 HE21 GLN 29 4.569 -3.354 5.013 200 HE22 GLN 29 HE22 GLN 29 4.672 -4.238 6.530 201 H VAL 30 H VAL 30 2.885 -0.099 2.078 202 HA VAL 30 HA VAL 30 0.616 -0.934 0.360 203 HB VAL 30 HB VAL 30 1.087 1.078 -1.051 204 HG11 VAL 30 HG11 VAL 30 0.086 1.894 1.706 205 HG12 VAL 30 HG12 VAL 30 -0.278 2.653 0.144 206 HG13 VAL 30 HG13 VAL 30 -0.877 1.029 0.503 207 HG21 VAL 30 HG21 VAL 30 2.381 2.402 1.345 208 HG22 VAL 30 HG22 VAL 30 3.349 1.589 0.112 209 HG23 VAL 30 HG23 VAL 30 2.290 2.914 -0.361 210 H VAL 31 H VAL 31 1.436 -1.199 -2.034 211 HA VAL 31 HA VAL 31 4.260 -1.878 -2.115 212 HB VAL 31 HB VAL 31 2.230 -3.047 -3.972 213 HG11 VAL 31 HG11 VAL 31 4.617 -4.533 -3.221 214 HG12 VAL 31 HG12 VAL 31 3.390 -4.816 -4.467 215 HG13 VAL 31 HG13 VAL 31 4.459 -3.404 -4.617 216 HG21 VAL 31 HG21 VAL 31 1.389 -3.871 -1.766 217 HG22 VAL 31 HG22 VAL 31 2.178 -5.218 -2.634 218 HG23 VAL 31 HG23 VAL 31 3.049 -4.422 -1.390 219 H TYR 32 H TYR 32 5.203 -1.141 -4.153 220 HA TYR 32 HA TYR 32 3.622 0.150 -6.226 221 HB2 TYR 32 HB2 TYR 32 3.601 2.158 -4.863 222 HB3 TYR 32 HB3 TYR 32 5.244 1.848 -4.327 223 HD1 TYR 32 HD1 TYR 32 3.846 2.103 -7.885 224 HD2 TYR 32 HD2 TYR 32 6.596 3.575 -4.932 225 HE1 TYR 32 HE1 TYR 32 4.975 3.532 -9.601 226 HE2 TYR 32 HE2 TYR 32 7.721 4.953 -6.599 227 HH TYR 32 HH TYR 32 6.705 5.102 -10.012 228 H ASP 33 H ASP 33 4.841 0.014 -8.055 229 HA ASP 33 HA ASP 33 6.535 -0.666 -9.418 230 HB2 ASP 33 HB2 ASP 33 7.234 1.582 -8.515 231 HB3 ASP 33 HB3 ASP 33 8.260 0.765 -7.354 232 H ASP 34 H ASP 34 5.760 -2.576 -7.403 233 HA ASP 34 HA ASP 34 6.316 -4.729 -6.767 234 HB2 ASP 34 HB2 ASP 34 7.891 -4.237 -9.006 235 HB3 ASP 34 HB3 ASP 34 9.117 -4.582 -7.801 236 H GLN 35 H GLN 35 6.891 -2.318 -5.072 237 HA GLN 35 HA GLN 35 9.100 -3.440 -3.389 238 HB2 GLN 35 HB2 GLN 35 8.456 -0.481 -3.666 239 HB3 GLN 35 HB3 GLN 35 9.742 -1.211 -2.744 240 HG2 GLN 35 HG2 GLN 35 9.535 -0.857 -5.736 241 HG3 GLN 35 HG3 GLN 35 10.750 -0.263 -4.671 242 HE21 GLN 35 HE21 GLN 35 11.617 -2.454 -3.261 243 HE22 GLN 35 HE22 GLN 35 12.105 -3.752 -4.322 244 H LEU 36 H LEU 36 8.790 -2.370 -1.045 245 HA LEU 36 HA LEU 36 5.905 -2.186 -0.466 246 HB2 LEU 36 HB2 LEU 36 6.963 -4.538 -0.114 247 HB3 LEU 36 HB3 LEU 36 7.874 -3.807 1.190 248 HG LEU 36 HG LEU 36 5.580 -3.154 2.230 249 HD11 LEU 36 HD11 LEU 36 4.368 -5.225 0.429 250 HD12 LEU 36 HD12 LEU 36 4.426 -3.535 -0.077 251 HD13 LEU 36 HD13 LEU 36 3.599 -3.929 1.400 252 HD21 LEU 36 HD21 LEU 36 5.354 -5.404 3.160 253 HD22 LEU 36 HD22 LEU 36 7.067 -5.116 2.873 254 HD23 LEU 36 HD23 LEU 36 6.149 -6.094 1.733 255 H TYR 37 H TYR 37 5.463 -0.503 0.744 256 HA TYR 37 HA TYR 37 7.659 0.689 2.352 257 HB2 TYR 37 HB2 TYR 37 5.403 2.325 1.255 258 HB3 TYR 37 HB3 TYR 37 6.955 2.844 1.898 259 HD1 TYR 37 HD1 TYR 37 8.871 1.186 0.251 260 HD2 TYR 37 HD2 TYR 37 5.301 3.348 -0.783 261 HE1 TYR 37 HE1 TYR 37 9.774 1.609 -2.042 262 HE2 TYR 37 HE2 TYR 37 6.225 3.855 -2.970 263 HH TYR 37 HH TYR 37 9.625 2.935 -3.871 264 H HIS 38 H HIS 38 7.235 1.066 4.441 265 HA HIS 38 HA HIS 38 4.657 0.334 5.610 266 HB2 HIS 38 HB2 HIS 38 7.443 0.186 6.308 267 HB3 HIS 38 HB3 HIS 38 6.750 1.217 7.476 268 HD1 HIS 38 HD1 HIS 38 7.612 -1.957 8.098 269 HD2 HIS 38 HD2 HIS 38 3.738 -0.312 7.555 270 HE1 HIS 38 HE1 HIS 38 5.959 -3.536 9.197 271 H LEU 39 H LEU 39 3.206 1.872 6.342 272 HA LEU 39 HA LEU 39 3.869 4.680 5.871 273 HB2 LEU 39 HB2 LEU 39 1.434 3.500 7.257 274 HB3 LEU 39 HB3 LEU 39 1.622 5.127 6.607 275 HG LEU 39 HG LEU 39 1.514 2.550 4.997 276 HD11 LEU 39 HD11 LEU 39 -0.587 3.445 4.128 277 HD12 LEU 39 HD12 LEU 39 -0.380 4.918 5.106 278 HD13 LEU 39 HD13 LEU 39 -0.650 3.350 5.899 279 HD21 LEU 39 HD21 LEU 39 3.003 3.980 3.796 280 HD22 LEU 39 HD22 LEU 39 1.963 5.404 4.044 281 HD23 LEU 39 HD23 LEU 39 1.440 4.080 2.985 282 H LYS 40 H LYS 40 4.468 6.165 7.361 283 HA LYS 40 HA LYS 40 4.927 5.218 10.179 284 HB2 LYS 40 HB2 LYS 40 6.487 7.367 8.664 285 HB3 LYS 40 HB3 LYS 40 6.854 6.706 10.255 286 HG2 LYS 40 HG2 LYS 40 6.976 5.274 7.577 287 HG3 LYS 40 HG3 LYS 40 8.356 5.775 8.546 288 HD2 LYS 40 HD2 LYS 40 6.288 3.748 9.514 289 HD3 LYS 40 HD3 LYS 40 7.726 3.287 8.707 290 HE2 LYS 40 HE2 LYS 40 9.160 4.200 10.354 291 HE3 LYS 40 HE3 LYS 40 7.791 4.935 11.236 292 HZ1 LYS 40 HZ1 LYS 40 6.906 2.666 11.539 293 HZ2 LYS 40 HZ2 LYS 40 8.422 2.800 12.226 294 HZ3 LYS 40 HZ3 LYS 40 8.199 2.047 10.784 295 H GLU 41 H GLU 41 4.402 8.121 8.274 296 HA GLU 41 HA GLU 41 2.436 8.995 10.355 297 HB2 GLU 41 HB2 GLU 41 3.502 10.990 11.009 298 HB3 GLU 41 HB3 GLU 41 4.762 9.786 11.018 299 HG2 GLU 41 HG2 GLU 41 5.163 10.640 8.521 300 HG3 GLU 41 HG3 GLU 41 4.298 12.067 9.092 301 H LYS 42 H LYS 42 1.437 11.079 9.868 302 HA LYS 42 HA LYS 42 0.661 11.219 6.980 303 HB2 LYS 42 HB2 LYS 42 -1.071 10.937 8.892 304 HB3 LYS 42 HB3 LYS 42 -0.756 12.620 9.294 305 HG2 LYS 42 HG2 LYS 42 -1.471 11.776 6.457 306 HG3 LYS 42 HG3 LYS 42 -2.720 11.944 7.664 307 HD2 LYS 42 HD2 LYS 42 -0.969 14.322 7.585 308 HD3 LYS 42 HD3 LYS 42 -1.711 13.951 6.020 309 HE2 LYS 42 HE2 LYS 42 -3.942 13.892 7.060 310 HE3 LYS 42 HE3 LYS 42 -3.241 14.213 8.650 311 HZ1 LYS 42 HZ1 LYS 42 -2.672 16.379 8.002 312 HZ2 LYS 42 HZ2 LYS 42 -4.151 16.183 7.386 313 HZ3 LYS 42 HZ3 LYS 42 -2.863 16.077 6.378 314 H VAL 43 H VAL 43 1.223 13.042 5.799 315 HA VAL 43 HA VAL 43 2.502 15.292 7.228 316 HB VAL 43 HB VAL 43 4.220 15.320 5.507 317 HG11 VAL 43 HG11 VAL 43 4.129 12.520 6.679 318 HG12 VAL 43 HG12 VAL 43 5.554 13.455 6.192 319 HG13 VAL 43 HG13 VAL 43 4.599 13.978 7.582 320 HG21 VAL 43 HG21 VAL 43 4.560 13.532 3.920 321 HG22 VAL 43 HG22 VAL 43 3.054 12.735 4.417 322 HG23 VAL 43 HG23 VAL 43 3.013 14.323 3.614 323 H ASP 44 H ASP 44 2.860 17.133 5.561 324 HA ASP 44 HA ASP 44 0.232 17.777 4.372 325 HB2 ASP 44 HB2 ASP 44 1.455 19.300 6.055 326 HB3 ASP 44 HB3 ASP 44 2.631 19.583 4.762 327 H GLU 45 H GLU 45 0.349 19.206 2.366 328 HA GLU 45 HA GLU 45 1.807 17.795 0.286 329 HB2 GLU 45 HB2 GLU 45 0.696 19.287 -1.277 330 HB3 GLU 45 HB3 GLU 45 -0.432 18.423 -0.242 331 HG2 GLU 45 HG2 GLU 45 -1.009 20.361 0.993 332 HG3 GLU 45 HG3 GLU 45 0.432 21.234 0.466 333 H ASP 46 H ASP 46 2.555 20.451 2.341 334 HA ASP 46 HA ASP 46 4.438 21.708 0.474 335 HB2 ASP 46 HB2 ASP 46 3.710 22.014 3.414 336 HB3 ASP 46 HB3 ASP 46 5.239 22.646 2.850 337 H LYS 47 H LYS 47 4.362 18.755 2.126 338 HA LYS 47 HA LYS 47 7.247 18.752 2.784 339 HB2 LYS 47 HB2 LYS 47 5.354 16.448 3.226 340 HB3 LYS 47 HB3 LYS 47 6.871 16.810 4.038 341 HG2 LYS 47 HG2 LYS 47 4.218 18.232 4.316 342 HG3 LYS 47 HG3 LYS 47 5.006 17.244 5.517 343 HD2 LYS 47 HD2 LYS 47 6.894 19.066 5.417 344 HD3 LYS 47 HD3 LYS 47 5.594 20.061 4.687 345 HE2 LYS 47 HE2 LYS 47 4.126 19.665 6.558 346 HE3 LYS 47 HE3 LYS 47 5.252 18.493 7.265 347 HZ1 LYS 47 HZ1 LYS 47 5.316 20.735 8.260 348 HZ2 LYS 47 HZ2 LYS 47 5.891 21.340 6.871 349 HZ3 LYS 47 HZ3 LYS 47 6.783 20.210 7.695 350 H LYS 48 H LYS 48 5.095 17.734 0.258 351 HA LYS 48 HA LYS 48 6.776 15.480 -0.571 352 HB2 LYS 48 HB2 LYS 48 5.469 15.646 -2.715 353 HB3 LYS 48 HB3 LYS 48 4.542 15.236 -1.253 354 HG2 LYS 48 HG2 LYS 48 3.505 17.281 -1.183 355 HG3 LYS 48 HG3 LYS 48 4.699 18.075 -2.236 356 HD2 LYS 48 HD2 LYS 48 3.862 16.637 -4.130 357 HD3 LYS 48 HD3 LYS 48 2.597 16.055 -3.040 358 HE2 LYS 48 HE2 LYS 48 1.426 17.778 -4.017 359 HE3 LYS 48 HE3 LYS 48 2.206 18.686 -2.705 360 HZ1 LYS 48 HZ1 LYS 48 2.879 18.654 -5.560 361 HZ2 LYS 48 HZ2 LYS 48 4.045 19.042 -4.458 362 HZ3 LYS 48 HZ3 LYS 48 2.663 19.922 -4.577 363 H GLY 49 H GLY 49 8.673 15.653 -1.466 364 HA2 GLY 49 HA2 GLY 49 9.804 18.153 -2.339 365 HA3 GLY 49 HA3 GLY 49 10.532 16.555 -2.481 366 H LYS 50 H LYS 50 8.786 15.166 -4.057 367 HA LYS 50 HA LYS 50 7.922 16.632 -6.391 368 HB2 LYS 50 HB2 LYS 50 9.601 15.445 -7.898 369 HB3 LYS 50 HB3 LYS 50 10.285 16.732 -6.902 370 HG2 LYS 50 HG2 LYS 50 11.172 15.115 -5.316 371 HG3 LYS 50 HG3 LYS 50 10.421 13.766 -6.206 372 HD2 LYS 50 HD2 LYS 50 11.799 14.394 -8.208 373 HD3 LYS 50 HD3 LYS 50 12.624 15.607 -7.199 374 HE2 LYS 50 HE2 LYS 50 13.126 13.689 -5.573 375 HE3 LYS 50 HE3 LYS 50 12.545 12.576 -6.830 376 HZ1 LYS 50 HZ1 LYS 50 14.267 13.494 -8.294 377 HZ2 LYS 50 HZ2 LYS 50 14.933 12.840 -6.952 378 HZ3 LYS 50 HZ3 LYS 50 14.780 14.494 -7.109 379 H VAL 51 H VAL 51 6.998 15.213 -8.014 380 HA VAL 51 HA VAL 51 5.815 12.776 -6.894 381 HB VAL 51 HB VAL 51 5.707 14.242 -9.558 382 HG11 VAL 51 HG11 VAL 51 4.307 11.609 -8.897 383 HG12 VAL 51 HG12 VAL 51 3.961 12.661 -10.282 384 HG13 VAL 51 HG13 VAL 51 5.520 11.876 -10.175 385 HG21 VAL 51 HG21 VAL 51 4.369 15.129 -7.631 386 HG22 VAL 51 HG22 VAL 51 3.371 14.598 -8.985 387 HG23 VAL 51 HG23 VAL 51 3.518 13.551 -7.559 388 H ILE 52 H ILE 52 6.179 10.673 -7.694 389 HA ILE 52 HA ILE 52 8.552 10.179 -9.400 390 HB ILE 52 HB ILE 52 9.319 8.381 -7.900 391 HG12 ILE 52 HG12 ILE 52 7.480 9.609 -5.789 392 HG13 ILE 52 HG13 ILE 52 7.196 8.069 -6.610 393 HG21 ILE 52 HG21 ILE 52 9.387 11.137 -6.595 394 HG22 ILE 52 HG22 ILE 52 10.581 9.830 -6.406 395 HG23 ILE 52 HG23 ILE 52 10.392 10.617 -7.965 396 HD11 ILE 52 HD11 ILE 52 8.141 7.571 -4.497 397 HD12 ILE 52 HD12 ILE 52 9.382 7.225 -5.714 398 HD13 ILE 52 HD13 ILE 52 9.480 8.707 -4.726 399 H GLY 53 H GLY 53 5.398 9.101 -8.081 400 HA2 GLY 53 HA2 GLY 53 4.838 7.617 -10.461 401 HA3 GLY 53 HA3 GLY 53 5.228 6.576 -9.092 402 H ALA 54 H ALA 54 2.790 6.083 -9.663 403 HA ALA 54 HA ALA 54 1.242 7.436 -7.618 404 HB1 ALA 54 HB1 ALA 54 0.142 6.998 -10.450 405 HB2 ALA 54 HB2 ALA 54 -0.733 7.708 -9.090 406 HB3 ALA 54 HB3 ALA 54 0.622 8.576 -9.831 407 H ILE 55 H ILE 55 -0.048 6.028 -6.484 408 HA ILE 55 HA ILE 55 0.149 3.182 -7.206 409 HB ILE 55 HB ILE 55 -1.094 4.770 -4.930 410 HG12 ILE 55 HG12 ILE 55 1.042 2.584 -5.052 411 HG13 ILE 55 HG13 ILE 55 1.332 4.318 -4.898 412 HG21 ILE 55 HG21 ILE 55 -1.912 2.732 -3.901 413 HG22 ILE 55 HG22 ILE 55 -2.710 2.999 -5.432 414 HG23 ILE 55 HG23 ILE 55 -1.422 1.774 -5.312 415 HD11 ILE 55 HD11 ILE 55 1.510 3.550 -2.698 416 HD12 ILE 55 HD12 ILE 55 -0.149 4.190 -2.772 417 HD13 ILE 55 HD13 ILE 55 0.134 2.439 -2.857 418 H GLY 56 H GLY 56 -2.396 5.611 -6.683 419 HA2 GLY 56 HA2 GLY 56 -4.490 5.930 -7.527 420 HA3 GLY 56 HA3 GLY 56 -3.717 5.633 -9.076 421 H GLN 57 H GLN 57 -4.826 3.594 -6.277 422 HA GLN 57 HA GLN 57 -6.329 1.894 -8.214 423 HB2 GLN 57 HB2 GLN 57 -4.928 0.932 -5.690 424 HB3 GLN 57 HB3 GLN 57 -5.832 -0.027 -6.863 425 HG2 GLN 57 HG2 GLN 57 -4.061 0.871 -8.580 426 HG3 GLN 57 HG3 GLN 57 -3.078 1.197 -7.145 427 HE21 GLN 57 HE21 GLN 57 -1.555 -0.619 -6.784 428 HE22 GLN 57 HE22 GLN 57 -2.050 -2.242 -7.188 429 H THR 58 H THR 58 -8.173 0.706 -7.011 430 HA THR 58 HA THR 58 -9.118 2.134 -4.646 431 HB THR 58 HB THR 58 -11.144 1.766 -6.840 432 HG1 THR 58 HG1 THR 58 -10.755 3.526 -7.767 433 HG21 THR 58 HG21 THR 58 -11.885 2.275 -4.520 434 HG22 THR 58 HG22 THR 58 -12.218 3.652 -5.582 435 HG23 THR 58 HG23 THR 58 -10.823 3.685 -4.481 436 H PHE 59 H PHE 59 -9.996 0.713 -3.255 437 HA PHE 59 HA PHE 59 -11.126 -1.837 -4.258 438 HB2 PHE 59 HB2 PHE 59 -8.948 -1.549 -2.155 439 HB3 PHE 59 HB3 PHE 59 -9.769 -3.045 -2.571 440 HD1 PHE 59 HD1 PHE 59 -9.681 -3.698 -5.183 441 HD2 PHE 59 HD2 PHE 59 -6.866 -1.078 -3.220 442 HE1 PHE 59 HE1 PHE 59 -8.003 -4.174 -6.928 443 HE2 PHE 59 HE2 PHE 59 -5.153 -1.667 -4.900 444 HZ PHE 59 HZ PHE 59 -5.744 -3.199 -6.790 445 H PHE 60 H PHE 60 -12.123 -3.049 -2.362 446 HA PHE 60 HA PHE 60 -13.047 -1.299 -0.175 447 HB2 PHE 60 HB2 PHE 60 -14.878 -3.041 -1.867 448 HB3 PHE 60 HB3 PHE 60 -15.326 -2.072 -0.477 449 HD1 PHE 60 HD1 PHE 60 -14.257 -1.947 -4.042 450 HD2 PHE 60 HD2 PHE 60 -15.880 0.263 -0.713 451 HE1 PHE 60 HE1 PHE 60 -14.855 -0.121 -5.559 452 HE2 PHE 60 HE2 PHE 60 -16.510 2.099 -2.242 453 HZ PHE 60 HZ PHE 60 -16.016 1.924 -4.689 454 H VAL 61 H VAL 61 -13.674 -2.582 1.765 455 HA VAL 61 HA VAL 61 -13.344 -5.472 1.503 456 HB VAL 61 HB VAL 61 -12.106 -5.635 3.546 457 HG11 VAL 61 HG11 VAL 61 -9.925 -5.125 2.681 458 HG12 VAL 61 HG12 VAL 61 -10.947 -5.790 1.412 459 HG13 VAL 61 HG13 VAL 61 -10.622 -4.038 1.445 460 HG21 VAL 61 HG21 VAL 61 -10.808 -3.726 4.393 461 HG22 VAL 61 HG22 VAL 61 -11.744 -2.628 3.344 462 HG23 VAL 61 HG23 VAL 61 -12.545 -3.578 4.634 463 H ASP 62 H ASP 62 -14.383 -6.568 3.385 464 HA ASP 62 HA ASP 62 -16.821 -5.133 4.265 465 HB2 ASP 62 HB2 ASP 62 -17.639 -7.404 4.754 466 HB3 ASP 62 HB3 ASP 62 -17.133 -7.291 3.086 467 H GLY 63 H GLY 63 -17.453 -6.469 6.507 468 HA2 GLY 63 HA2 GLY 63 -15.908 -5.205 8.541 469 HA3 GLY 63 HA3 GLY 63 -17.192 -6.395 8.767 470 H ASP 64 H ASP 64 -15.073 -8.069 6.793 471 HA ASP 64 HA ASP 64 -13.652 -9.262 9.132 472 HB2 ASP 64 HB2 ASP 64 -15.280 -10.707 8.007 473 HB3 ASP 64 HB3 ASP 64 -14.519 -10.435 6.459 474 H GLY 65 H GLY 65 -13.394 -7.572 6.096 475 HA2 GLY 65 HA2 GLY 65 -11.468 -6.260 5.561 476 HA3 GLY 65 HA3 GLY 65 -10.427 -7.436 6.363 477 H LYS 66 H LYS 66 -13.035 -8.692 4.334 478 HA LYS 66 HA LYS 66 -10.973 -9.901 2.590 479 HB2 LYS 66 HB2 LYS 66 -13.938 -10.293 3.056 480 HB3 LYS 66 HB3 LYS 66 -13.295 -10.765 1.503 481 HG2 LYS 66 HG2 LYS 66 -12.313 -11.776 4.190 482 HG3 LYS 66 HG3 LYS 66 -13.404 -12.626 3.107 483 HD2 LYS 66 HD2 LYS 66 -10.478 -11.965 2.513 484 HD3 LYS 66 HD3 LYS 66 -11.127 -13.494 3.053 485 HE2 LYS 66 HE2 LYS 66 -10.752 -13.814 0.792 486 HE3 LYS 66 HE3 LYS 66 -12.500 -13.613 0.930 487 HZ1 LYS 66 HZ1 LYS 66 -12.252 -11.415 0.048 488 HZ2 LYS 66 HZ2 LYS 66 -11.521 -12.454 -0.942 489 HZ3 LYS 66 HZ3 LYS 66 -10.579 -11.533 0.052 490 H ARG 67 H ARG 67 -10.553 -9.327 0.571 491 HA ARG 67 HA ARG 67 -11.374 -6.776 -0.427 492 HB2 ARG 67 HB2 ARG 67 -9.740 -9.101 -1.343 493 HB3 ARG 67 HB3 ARG 67 -10.554 -8.317 -2.648 494 HG2 ARG 67 HG2 ARG 67 -8.836 -6.900 -0.571 495 HG3 ARG 67 HG3 ARG 67 -8.254 -7.436 -2.152 496 HD2 ARG 67 HD2 ARG 67 -10.119 -5.172 -1.454 497 HD3 ARG 67 HD3 ARG 67 -8.683 -5.150 -2.482 498 HE ARG 67 HE ARG 67 -11.380 -5.458 -3.303 499 HH11 ARG 67 HH11 ARG 67 -8.186 -6.809 -4.180 500 HH12 ARG 67 HH12 ARG 67 -8.760 -7.363 -5.710 501 HH21 ARG 67 HH21 ARG 67 -12.100 -6.550 -5.243 502 HH22 ARG 67 HH22 ARG 67 -10.865 -6.975 -6.395 503 H TRP 68 H TRP 68 -13.262 -6.190 -1.315 504 HA TRP 68 HA TRP 68 -15.302 -8.199 -1.802 505 HB2 TRP 68 HB2 TRP 68 -15.143 -5.217 -2.261 506 HB3 TRP 68 HB3 TRP 68 -16.418 -6.171 -2.985 507 HD1 TRP 68 HD1 TRP 68 -15.129 -5.679 0.631 508 HE1 TRP 68 HE1 TRP 68 -17.176 -5.434 2.167 509 HE3 TRP 68 HE3 TRP 68 -18.791 -6.753 -2.743 510 HZ2 TRP 68 HZ2 TRP 68 -20.040 -5.702 1.956 511 HZ3 TRP 68 HZ3 TRP 68 -21.176 -6.782 -2.054 512 HH2 TRP 68 HH2 TRP 68 -21.802 -6.272 0.285 513 H SER 69 H SER 69 -15.694 -9.242 -3.693 514 HA SER 69 HA SER 69 -13.853 -8.749 -5.946 515 HB2 SER 69 HB2 SER 69 -14.450 -11.070 -5.255 516 HB3 SER 69 HB3 SER 69 -16.146 -10.743 -5.679 517 HG SER 69 HG SER 69 -14.565 -11.746 -7.287 518 H GLU 70 H GLU 70 -14.621 -8.020 -8.013 519 HA GLU 70 HA GLU 70 -16.588 -5.978 -7.987 520 HB2 GLU 70 HB2 GLU 70 -15.467 -7.597 -10.314 521 HB3 GLU 70 HB3 GLU 70 -16.443 -6.118 -10.445 522 HG2 GLU 70 HG2 GLU 70 -14.751 -4.874 -9.138 523 HG3 GLU 70 HG3 GLU 70 -13.747 -6.330 -9.044 524 H GLU 71 H GLU 71 -16.792 -9.393 -8.525 525 HA GLU 71 HA GLU 71 -19.233 -9.664 -9.825 526 HB2 GLU 71 HB2 GLU 71 -17.936 -11.503 -7.760 527 HB3 GLU 71 HB3 GLU 71 -19.207 -11.965 -8.914 528 HG2 GLU 71 HG2 GLU 71 -17.720 -11.254 -10.793 529 HG3 GLU 71 HG3 GLU 71 -16.433 -10.893 -9.639 530 H GLU 72 H GLU 72 -18.488 -9.156 -6.411 531 HA GLU 72 HA GLU 72 -21.292 -9.322 -5.559 532 HB2 GLU 72 HB2 GLU 72 -18.627 -9.069 -4.156 533 HB3 GLU 72 HB3 GLU 72 -20.133 -8.750 -3.295 534 HG2 GLU 72 HG2 GLU 72 -21.076 -10.923 -3.934 535 HG3 GLU 72 HG3 GLU 72 -19.668 -11.287 -4.922 536 H LEU 73 H LEU 73 -19.037 -6.893 -6.597 537 HA LEU 73 HA LEU 73 -20.410 -4.656 -5.305 538 HB2 LEU 73 HB2 LEU 73 -18.456 -4.619 -7.650 539 HB3 LEU 73 HB3 LEU 73 -19.012 -3.218 -6.744 540 HG LEU 73 HG LEU 73 -17.249 -5.445 -5.676 541 HD11 LEU 73 HD11 LEU 73 -15.539 -3.733 -5.522 542 HD12 LEU 73 HD12 LEU 73 -16.670 -2.494 -6.113 543 HD13 LEU 73 HD13 LEU 73 -16.137 -3.804 -7.182 544 HD21 LEU 73 HD21 LEU 73 -17.078 -4.011 -3.645 545 HD22 LEU 73 HD22 LEU 73 -18.659 -4.767 -3.868 546 HD23 LEU 73 HD23 LEU 73 -18.422 -3.029 -4.272 547 H LYS 74 H LYS 74 -20.742 -6.304 -8.404 548 HA LYS 74 HA LYS 74 -22.348 -4.129 -9.572 549 HB2 LYS 74 HB2 LYS 74 -22.432 -5.513 -11.522 550 HB3 LYS 74 HB3 LYS 74 -20.802 -5.641 -10.860 551 HG2 LYS 74 HG2 LYS 74 -21.896 -7.765 -9.590 552 HG3 LYS 74 HG3 LYS 74 -23.028 -7.683 -10.942 553 HD2 LYS 74 HD2 LYS 74 -21.078 -7.729 -12.501 554 HD3 LYS 74 HD3 LYS 74 -20.020 -7.901 -11.077 555 HE2 LYS 74 HE2 LYS 74 -21.096 -10.027 -10.481 556 HE3 LYS 74 HE3 LYS 74 -22.266 -9.850 -11.789 557 HZ1 LYS 74 HZ1 LYS 74 -19.368 -9.950 -12.351 558 HZ2 LYS 74 HZ2 LYS 74 -20.629 -10.159 -13.378 559 HZ3 LYS 74 HZ3 LYS 74 -20.292 -11.322 -12.270 560 H GLU 75 H GLU 75 -23.006 -6.425 -7.290 561 HA GLU 75 HA GLU 75 -25.575 -7.403 -8.125 562 HB2 GLU 75 HB2 GLU 75 -24.316 -7.236 -5.411 563 HB3 GLU 75 HB3 GLU 75 -25.774 -8.125 -5.722 564 HG2 GLU 75 HG2 GLU 75 -23.112 -8.678 -7.060 565 HG3 GLU 75 HG3 GLU 75 -23.840 -9.605 -5.771 566 HA PRO 76 HA PRO 76 -28.167 -4.080 -7.095 567 HB2 PRO 76 HB2 PRO 76 -30.515 -5.265 -6.261 568 HB3 PRO 76 HB3 PRO 76 -29.938 -5.252 -7.957 569 HG2 PRO 76 HG2 PRO 76 -29.807 -7.477 -5.952 570 HG3 PRO 76 HG3 PRO 76 -30.070 -7.572 -7.718 571 HD2 PRO 76 HD2 PRO 76 -27.683 -8.006 -6.361 572 HD3 PRO 76 HD3 PRO 76 -27.731 -7.636 -8.086 573 H TYR 77 H TYR 77 -28.586 -2.735 -5.417 574 HA TYR 77 HA TYR 77 -27.393 -3.166 -2.889 575 HB2 TYR 77 HB2 TYR 77 -27.609 -0.934 -3.683 576 HB3 TYR 77 HB3 TYR 77 -29.324 -1.127 -4.021 577 HD1 TYR 77 HD1 TYR 77 -27.144 -1.655 -0.959 578 HD2 TYR 77 HD2 TYR 77 -30.677 0.174 -2.653 579 HE1 TYR 77 HE1 TYR 77 -27.801 -0.864 1.277 580 HE2 TYR 77 HE2 TYR 77 -31.326 0.987 -0.406 581 HH TYR 77 HH TYR 77 -29.991 -0.212 2.432 582 H ILE 78 H ILE 78 -30.803 -3.283 -3.936 583 HA ILE 78 HA ILE 78 -31.816 -3.965 -1.303 584 HB ILE 78 HB ILE 78 -33.950 -4.306 -2.476 585 HG12 ILE 78 HG12 ILE 78 -32.476 -3.619 -5.069 586 HG13 ILE 78 HG13 ILE 78 -33.070 -5.222 -4.632 587 HG21 ILE 78 HG21 ILE 78 -32.596 -1.720 -3.372 588 HG22 ILE 78 HG22 ILE 78 -34.318 -1.972 -3.020 589 HG23 ILE 78 HG23 ILE 78 -33.135 -2.049 -1.712 590 HD11 ILE 78 HD11 ILE 78 -35.397 -4.328 -4.538 591 HD12 ILE 78 HD12 ILE 78 -34.783 -2.766 -5.139 592 HD13 ILE 78 HD13 ILE 78 -34.641 -4.219 -6.139 593 H SER 79 H SER 79 -32.632 -6.062 -0.640 594 HA SER 79 HA SER 79 -32.078 -8.370 -2.324 595 HB2 SER 79 HB2 SER 79 -30.726 -9.404 -0.478 596 HB3 SER 79 HB3 SER 79 -29.909 -8.010 -1.208 597 HG SER 79 HG SER 79 -30.211 -8.276 1.278 598 H ASN 80 H ASN 80 -33.018 -10.306 -1.233 599 HA ASN 80 HA ASN 80 -35.515 -9.599 0.195 600 HB2 ASN 80 HB2 ASN 80 -34.455 -12.277 -0.823 601 HB3 ASN 80 HB3 ASN 80 -36.021 -12.019 -0.066 602 HD21 ASN 80 HD21 ASN 80 -34.547 -12.236 -3.109 603 HD22 ASN 80 HD22 ASN 80 -35.794 -11.364 -3.982 604 H ASN 81 H ASN 81 -32.374 -10.035 1.157 605 HA ASN 81 HA ASN 81 -33.077 -11.258 3.739 606 HB2 ASN 81 HB2 ASN 81 -30.444 -11.701 2.315 607 HB3 ASN 81 HB3 ASN 81 -30.986 -12.407 3.834 608 HD21 ASN 81 HD21 ASN 81 -30.513 -12.961 0.633 609 HD22 ASN 81 HD22 ASN 81 -31.597 -14.331 0.417 610 HA PRO 82 HA PRO 82 -31.123 -7.111 4.338 611 HB2 PRO 82 HB2 PRO 82 -32.051 -6.660 6.871 612 HB3 PRO 82 HB3 PRO 82 -33.087 -6.488 5.395 613 HG2 PRO 82 HG2 PRO 82 -32.860 -8.857 7.280 614 HG3 PRO 82 HG3 PRO 82 -34.359 -8.036 6.723 615 HD2 PRO 82 HD2 PRO 82 -33.416 -10.290 5.540 616 HD3 PRO 82 HD3 PRO 82 -34.158 -8.996 4.550 617 H ASP 83 H ASP 83 -30.479 -10.134 5.526 618 HA ASP 83 HA ASP 83 -28.459 -9.443 7.557 619 HB2 ASP 83 HB2 ASP 83 -30.176 -11.176 7.897 620 HB3 ASP 83 HB3 ASP 83 -29.568 -12.081 6.506 621 H GLU 84 H GLU 84 -28.734 -10.700 4.192 622 HA GLU 84 HA GLU 84 -26.046 -11.707 4.031 623 HB2 GLU 84 HB2 GLU 84 -28.068 -10.713 1.975 624 HB3 GLU 84 HB3 GLU 84 -26.475 -11.317 1.516 625 HG2 GLU 84 HG2 GLU 84 -26.951 -13.463 2.648 626 HG3 GLU 84 HG3 GLU 84 -28.592 -12.921 2.990 627 H ILE 85 H ILE 85 -27.477 -8.533 3.483 628 HA ILE 85 HA ILE 85 -25.328 -7.344 2.082 629 HB ILE 85 HB ILE 85 -26.334 -5.205 2.623 630 HG12 ILE 85 HG12 ILE 85 -28.056 -6.741 4.600 631 HG13 ILE 85 HG13 ILE 85 -26.836 -5.529 4.999 632 HG21 ILE 85 HG21 ILE 85 -27.330 -6.810 0.914 633 HG22 ILE 85 HG22 ILE 85 -28.537 -7.261 2.135 634 HG23 ILE 85 HG23 ILE 85 -28.445 -5.593 1.527 635 HD11 ILE 85 HD11 ILE 85 -29.480 -5.039 3.585 636 HD12 ILE 85 HD12 ILE 85 -28.979 -4.481 5.187 637 HD13 ILE 85 HD13 ILE 85 -28.184 -3.826 3.741 638 H ARG 86 H ARG 86 -23.581 -6.042 2.764 639 HA ARG 86 HA ARG 86 -22.896 -6.252 5.661 640 HB2 ARG 86 HB2 ARG 86 -22.102 -8.224 4.216 641 HB3 ARG 86 HB3 ARG 86 -21.124 -7.090 3.321 642 HG2 ARG 86 HG2 ARG 86 -19.766 -8.306 4.792 643 HG3 ARG 86 HG3 ARG 86 -19.790 -6.651 5.399 644 HD2 ARG 86 HD2 ARG 86 -21.135 -7.257 7.272 645 HD3 ARG 86 HD3 ARG 86 -21.697 -8.743 6.509 646 HE ARG 86 HE ARG 86 -19.144 -8.335 7.933 647 HH11 ARG 86 HH11 ARG 86 -21.039 -10.584 5.803 648 HH12 ARG 86 HH12 ARG 86 -20.037 -11.908 6.239 649 HH21 ARG 86 HH21 ARG 86 -17.894 -10.154 8.446 650 HH22 ARG 86 HH22 ARG 86 -18.112 -11.590 7.497 651 H GLU 87 H GLU 87 -20.983 -4.970 6.196 652 HA GLU 87 HA GLU 87 -21.199 -2.304 5.169 653 HB2 GLU 87 HB2 GLU 87 -19.259 -1.832 6.622 654 HB3 GLU 87 HB3 GLU 87 -20.542 -2.705 7.482 655 HG2 GLU 87 HG2 GLU 87 -19.192 -4.831 6.940 656 HG3 GLU 87 HG3 GLU 87 -17.881 -3.748 6.456 657 H LYS 88 H LYS 88 -19.485 -1.137 4.078 658 HA LYS 88 HA LYS 88 -17.491 -2.778 2.615 659 HB2 LYS 88 HB2 LYS 88 -19.687 -2.685 1.388 660 HB3 LYS 88 HB3 LYS 88 -19.481 -0.947 1.181 661 HG2 LYS 88 HG2 LYS 88 -17.676 -1.236 -0.319 662 HG3 LYS 88 HG3 LYS 88 -17.240 -2.800 0.383 663 HD2 LYS 88 HD2 LYS 88 -18.095 -3.367 -1.683 664 HD3 LYS 88 HD3 LYS 88 -19.369 -3.750 -0.533 665 HE2 LYS 88 HE2 LYS 88 -20.419 -1.493 -1.140 666 HE3 LYS 88 HE3 LYS 88 -19.311 -1.487 -2.523 667 HZ1 LYS 88 HZ1 LYS 88 -21.360 -3.536 -1.870 668 HZ2 LYS 88 HZ2 LYS 88 -20.305 -3.710 -3.104 669 HZ3 LYS 88 HZ3 LYS 88 -21.424 -2.495 -3.107 670 H LYS 89 H LYS 89 -15.738 -1.785 3.574 671 HA LYS 89 HA LYS 89 -15.600 1.092 3.968 672 HB2 LYS 89 HB2 LYS 89 -13.396 -0.982 4.291 673 HB3 LYS 89 HB3 LYS 89 -13.410 0.644 4.921 674 HG2 LYS 89 HG2 LYS 89 -14.376 -0.029 6.838 675 HG3 LYS 89 HG3 LYS 89 -15.721 -0.791 5.975 676 HD2 LYS 89 HD2 LYS 89 -14.364 -2.774 5.542 677 HD3 LYS 89 HD3 LYS 89 -12.980 -2.080 6.406 678 HE2 LYS 89 HE2 LYS 89 -15.691 -2.473 7.686 679 HE3 LYS 89 HE3 LYS 89 -14.546 -3.808 7.539 680 HZ1 LYS 89 HZ1 LYS 89 -14.453 -2.571 9.683 681 HZ2 LYS 89 HZ2 LYS 89 -13.804 -1.291 8.899 682 HZ3 LYS 89 HZ3 LYS 89 -13.016 -2.728 8.924 683 HA PRO 90 HA PRO 90 -13.784 1.223 -0.276 684 HB2 PRO 90 HB2 PRO 90 -13.733 3.958 -0.546 685 HB3 PRO 90 HB3 PRO 90 -15.221 3.018 -0.779 686 HG2 PRO 90 HG2 PRO 90 -14.295 4.520 1.656 687 HG3 PRO 90 HG3 PRO 90 -15.949 4.487 0.951 688 HD2 PRO 90 HD2 PRO 90 -15.224 2.968 3.132 689 HD3 PRO 90 HD3 PRO 90 -16.413 2.441 1.914 690 H LEU 91 H LEU 91 -11.678 1.769 -1.008 691 HA LEU 91 HA LEU 91 -9.772 3.105 0.841 692 HB2 LEU 91 HB2 LEU 91 -9.301 0.473 -0.613 693 HB3 LEU 91 HB3 LEU 91 -8.158 1.304 0.428 694 HG LEU 91 HG LEU 91 -10.806 0.124 1.395 695 HD11 LEU 91 HD11 LEU 91 -9.444 -1.628 0.470 696 HD12 LEU 91 HD12 LEU 91 -9.445 -1.745 2.238 697 HD13 LEU 91 HD13 LEU 91 -8.025 -1.078 1.396 698 HD21 LEU 91 HD21 LEU 91 -9.901 0.283 3.622 699 HD22 LEU 91 HD22 LEU 91 -9.777 1.889 2.899 700 HD23 LEU 91 HD23 LEU 91 -8.338 0.849 3.031 701 H ARG 92 H ARG 92 -9.470 4.924 -0.512 702 HA ARG 92 HA ARG 92 -9.027 4.485 -3.431 703 HB2 ARG 92 HB2 ARG 92 -9.508 7.124 -2.018 704 HB3 ARG 92 HB3 ARG 92 -9.507 6.797 -3.734 705 HG2 ARG 92 HG2 ARG 92 -11.713 6.975 -3.383 706 HG3 ARG 92 HG3 ARG 92 -11.561 5.229 -3.151 707 HD2 ARG 92 HD2 ARG 92 -11.761 5.439 -0.767 708 HD3 ARG 92 HD3 ARG 92 -11.454 7.163 -0.821 709 HE ARG 92 HE ARG 92 -13.717 6.721 -2.396 710 HH11 ARG 92 HH11 ARG 92 -12.816 6.629 1.101 711 HH12 ARG 92 HH12 ARG 92 -14.425 7.059 1.589 712 HH21 ARG 92 HH21 ARG 92 -15.872 7.185 -1.580 713 HH22 ARG 92 HH22 ARG 92 -16.069 7.353 0.145 714 H TYR 93 H TYR 93 -6.910 4.447 -4.004 715 HA TYR 93 HA TYR 93 -4.934 5.738 -2.207 716 HB2 TYR 93 HB2 TYR 93 -4.613 3.702 -4.409 717 HB3 TYR 93 HB3 TYR 93 -3.299 4.464 -3.503 718 HD1 TYR 93 HD2 TYR 93 -6.289 2.223 -3.158 719 HD2 TYR 93 HD1 TYR 93 -2.728 3.783 -1.261 720 HE1 TYR 93 HE2 TYR 93 -6.519 0.563 -1.347 721 HE2 TYR 93 HE1 TYR 93 -2.963 2.135 0.539 722 HH TYR 93 HH TYR 93 -4.286 0.459 1.441 723 H GLY 94 H GLY 94 -3.333 7.209 -2.895 724 HA2 GLY 94 HA2 GLY 94 -3.896 8.931 -5.033 725 HA3 GLY 94 HA3 GLY 94 -3.152 9.104 -3.462 726 H LYS 95 H LYS 95 -2.013 10.292 -5.616 727 HA LYS 95 HA LYS 95 -0.041 8.694 -6.992 728 HB2 LYS 95 HB2 LYS 95 -1.013 10.838 -7.850 729 HB3 LYS 95 HB3 LYS 95 -0.232 11.693 -6.542 730 HG2 LYS 95 HG2 LYS 95 1.963 11.208 -7.369 731 HG3 LYS 95 HG3 LYS 95 1.300 10.190 -8.652 732 HD2 LYS 95 HD2 LYS 95 0.712 13.162 -8.312 733 HD3 LYS 95 HD3 LYS 95 1.989 12.506 -9.334 734 HE2 LYS 95 HE2 LYS 95 0.296 11.233 -10.653 735 HE3 LYS 95 HE3 LYS 95 -0.980 12.009 -9.698 736 HZ1 LYS 95 HZ1 LYS 95 0.941 13.355 -11.495 737 HZ2 LYS 95 HZ2 LYS 95 -0.112 14.146 -10.465 738 HZ3 LYS 95 HZ3 LYS 95 -0.701 13.234 -11.672 739 H VAL 96 H VAL 96 2.373 9.075 -6.560 740 HA VAL 96 HA VAL 96 2.935 9.334 -3.667 741 HB VAL 96 HB VAL 96 4.160 7.528 -5.798 742 HG11 VAL 96 HG11 VAL 96 4.741 7.630 -2.832 743 HG12 VAL 96 HG12 VAL 96 5.403 6.449 -3.983 744 HG13 VAL 96 HG13 VAL 96 5.871 8.140 -4.105 745 HG21 VAL 96 HG21 VAL 96 3.212 5.725 -4.244 746 HG22 VAL 96 HG22 VAL 96 2.322 7.003 -3.408 747 HG23 VAL 96 HG23 VAL 96 1.988 6.665 -5.112 748 H TYR 97 H TYR 97 4.952 10.219 -3.049 749 HA TYR 97 HA TYR 97 6.334 11.893 -5.024 750 HB2 TYR 97 HB2 TYR 97 5.569 12.776 -2.207 751 HB3 TYR 97 HB3 TYR 97 6.155 13.771 -3.507 752 HD1 TYR 97 HD1 TYR 97 4.656 14.396 -5.375 753 HD2 TYR 97 HD2 TYR 97 3.186 12.174 -1.990 754 HE1 TYR 97 HE1 TYR 97 2.303 14.958 -6.013 755 HE2 TYR 97 HE2 TYR 97 0.840 12.749 -2.565 756 HH TYR 97 HH TYR 97 -0.449 13.539 -4.562 757 H SER 98 H SER 98 8.381 12.828 -3.757 758 HA SER 98 HA SER 98 9.569 10.635 -2.129 759 HB2 SER 98 HB2 SER 98 10.327 11.281 -4.546 760 HB3 SER 98 HB3 SER 98 11.267 12.517 -3.762 761 HG SER 98 HG SER 98 12.213 10.669 -2.555 762 H THR 99 H THR 99 11.208 11.326 -0.656 763 HA THR 99 HA THR 99 10.448 13.627 1.017 764 HB THR 99 HB THR 99 12.013 12.256 2.567 765 HG1 THR 99 HG1 THR 99 12.583 10.291 1.863 766 HG21 THR 99 HG21 THR 99 9.475 10.853 1.619 767 HG22 THR 99 HG22 THR 99 9.547 12.141 2.856 768 HG23 THR 99 HG23 THR 99 10.313 10.573 3.149 769 H ASN 100 H ASN 100 11.559 15.138 -0.409 770 HA ASN 100 HA ASN 100 13.180 16.543 -1.187 771 HB2 ASN 100 HB2 ASN 100 14.267 15.991 1.588 772 HB3 ASN 100 HB3 ASN 100 14.954 17.175 0.502 773 HD21 ASN 100 HD21 ASN 100 12.280 16.520 2.597 774 HD22 ASN 100 HD22 ASN 100 11.594 18.131 2.579 775 H GLU 101 H GLU 101 14.086 13.403 -0.947 776 HA GLU 101 HA GLU 101 16.388 12.577 -1.004 777 HB2 GLU 101 HB2 GLU 101 14.145 12.264 -3.006 778 HB3 GLU 101 HB3 GLU 101 15.640 11.417 -3.326 779 HG2 GLU 101 HG2 GLU 101 14.143 11.197 -0.681 780 HG3 GLU 101 HG3 GLU 101 13.931 10.093 -2.034 781 H ASP 102 H ASP 102 15.518 13.470 -4.154 782 HA ASP 102 HA ASP 102 16.605 14.005 -6.025 783 HB2 ASP 102 HB2 ASP 102 16.604 16.194 -4.293 784 HB3 ASP 102 HB3 ASP 102 18.193 16.157 -5.001 785 H SER 103 H SER 103 18.054 12.212 -4.043 786 HA SER 103 HA SER 103 20.609 11.835 -5.477 787 HB2 SER 103 HB2 SER 103 19.890 11.355 -2.559 788 HB3 SER 103 HB3 SER 103 21.431 10.963 -3.314 789 HG SER 103 HG SER 103 21.399 12.886 -2.159 790 H ASP 104 H ASP 104 21.179 9.348 -4.430 791 HA ASP 104 HA ASP 104 19.243 7.599 -5.754 792 HB2 ASP 104 HB2 ASP 104 21.161 6.071 -5.912 793 HB3 ASP 104 HB3 ASP 104 21.510 7.640 -6.610 794 H ALA 105 H ALA 105 19.676 8.528 -2.615 795 HA ALA 105 HA ALA 105 19.905 6.137 -1.148 796 HB1 ALA 105 HB1 ALA 105 20.072 8.272 -0.088 797 HB2 ALA 105 HB2 ALA 105 18.413 8.698 -0.526 798 HB3 ALA 105 HB3 ALA 105 18.713 7.403 0.662 799 H LYS 106 H LYS 106 16.841 7.710 -1.943 800 HA LYS 106 HA LYS 106 14.686 7.086 -1.770 801 HB2 LYS 106 HB2 LYS 106 15.547 6.558 -4.103 802 HB3 LYS 106 HB3 LYS 106 15.214 4.870 -3.665 803 HG2 LYS 106 HG2 LYS 106 12.923 5.471 -2.970 804 HG3 LYS 106 HG3 LYS 106 13.221 7.179 -3.204 805 HD2 LYS 106 HD2 LYS 106 13.264 5.069 -5.335 806 HD3 LYS 106 HD3 LYS 106 11.888 6.113 -4.916 807 HE2 LYS 106 HE2 LYS 106 14.514 6.891 -6.210 808 HE3 LYS 106 HE3 LYS 106 12.890 7.038 -6.889 809 HZ1 LYS 106 HZ1 LYS 106 13.481 9.166 -6.190 810 HZ2 LYS 106 HZ2 LYS 106 14.210 8.656 -4.843 811 HZ3 LYS 106 HZ3 LYS 106 12.553 8.664 -4.914 812 H ASP 107 H ASP 107 15.533 6.261 0.628 813 HA ASP 107 HA ASP 107 14.507 3.488 0.896 814 HB2 ASP 107 HB2 ASP 107 15.443 3.419 3.042 815 HB3 ASP 107 HB3 ASP 107 16.672 3.915 1.876 816 H GLU 108 H GLU 108 13.477 6.734 1.075 817 HA GLU 108 HA GLU 108 10.944 5.867 2.309 818 HB2 GLU 108 HB2 GLU 108 12.768 8.085 3.195 819 HB3 GLU 108 HB3 GLU 108 10.968 8.241 3.321 820 HG2 GLU 108 HG2 GLU 108 10.746 6.405 4.749 821 HG3 GLU 108 HG3 GLU 108 12.501 6.095 4.716 822 H ILE 109 H ILE 109 9.266 7.023 1.612 823 HA ILE 109 HA ILE 109 9.463 9.195 -0.348 824 HB ILE 109 HB ILE 109 8.101 8.000 -2.048 825 HG12 ILE 109 HG12 ILE 109 8.118 5.496 -2.015 826 HG13 ILE 109 HG13 ILE 109 8.484 5.574 -0.283 827 HG21 ILE 109 HG21 ILE 109 10.659 6.484 -1.563 828 HG22 ILE 109 HG22 ILE 109 9.782 6.676 -3.074 829 HG23 ILE 109 HG23 ILE 109 10.534 8.097 -2.321 830 HD11 ILE 109 HD11 ILE 109 6.388 6.407 0.232 831 HD12 ILE 109 HD12 ILE 109 6.166 7.168 -1.350 832 HD13 ILE 109 HD13 ILE 109 5.977 5.447 -1.206 833 H ILE 110 H ILE 110 6.825 9.649 -0.998 834 HA ILE 110 HA ILE 110 5.287 9.412 1.524 835 HB ILE 110 HB ILE 110 5.237 11.819 -0.299 836 HG12 ILE 110 HG12 ILE 110 7.095 11.189 2.005 837 HG13 ILE 110 HG13 ILE 110 7.523 11.700 0.367 838 HG21 ILE 110 HG21 ILE 110 4.472 11.474 2.622 839 HG22 ILE 110 HG22 ILE 110 4.172 12.889 1.588 840 HG23 ILE 110 HG23 ILE 110 3.326 11.374 1.273 841 HD11 ILE 110 HD11 ILE 110 7.952 13.514 1.699 842 HD12 ILE 110 HD12 ILE 110 6.431 13.874 0.842 843 HD13 ILE 110 HD13 ILE 110 6.411 13.378 2.570 844 H VAL 111 H VAL 111 3.498 8.297 1.202 845 HA VAL 111 HA VAL 111 2.342 7.933 -1.507 846 HB VAL 111 HB VAL 111 1.915 6.419 1.116 847 HG11 VAL 111 HG11 VAL 111 0.000 6.136 -0.416 848 HG12 VAL 111 HG12 VAL 111 1.110 5.743 -1.741 849 HG13 VAL 111 HG13 VAL 111 0.923 4.659 -0.329 850 HG21 VAL 111 HG21 VAL 111 4.204 6.143 0.378 851 HG22 VAL 111 HG22 VAL 111 3.319 4.664 0.243 852 HG23 VAL 111 HG23 VAL 111 3.645 5.609 -1.238 853 H GLU 112 H GLU 112 0.296 8.864 -2.013 854 HA GLU 112 HA GLU 112 -1.113 10.179 0.196 855 HB2 GLU 112 HB2 GLU 112 -0.995 11.285 -1.904 856 HB3 GLU 112 HB3 GLU 112 -1.584 9.941 -2.693 857 HG2 GLU 112 HG2 GLU 112 -3.846 10.285 -1.426 858 HG3 GLU 112 HG3 GLU 112 -3.106 11.710 -0.704 859 H PHE 113 H PHE 113 -3.122 9.363 1.025 860 HA PHE 113 HA PHE 113 -4.547 7.189 -0.314 861 HB2 PHE 113 HB2 PHE 113 -2.777 6.177 1.181 862 HB3 PHE 113 HB3 PHE 113 -3.528 6.970 2.562 863 HD1 PHE 113 HD2 PHE 113 -6.149 5.823 0.461 864 HD2 PHE 113 HD1 PHE 113 -3.143 4.370 3.147 865 HE1 PHE 113 HE2 PHE 113 -7.438 3.773 0.695 866 HE2 PHE 113 HE1 PHE 113 -4.455 2.299 3.462 867 HZ PHE 113 HZ PHE 113 -6.648 2.013 2.279 868 H ASN 114 H ASN 114 -6.791 7.611 0.036 869 HA ASN 114 HA ASN 114 -8.609 8.799 0.611 870 HB2 ASN 114 HB2 ASN 114 -7.409 8.802 3.388 871 HB3 ASN 114 HB3 ASN 114 -9.116 8.906 2.978 872 HD21 ASN 114 HD21 ASN 114 -9.396 6.800 1.059 873 HD22 ASN 114 HD22 ASN 114 -8.974 5.306 1.909 874 H ARG 115 H ARG 115 -6.558 10.373 -0.435 875 HA ARG 115 HA ARG 115 -6.067 12.464 -1.029 876 HB2 ARG 115 HB2 ARG 115 -8.233 13.481 0.830 877 HB3 ARG 115 HB3 ARG 115 -7.458 14.360 -0.453 878 HG2 ARG 115 HG2 ARG 115 -9.154 13.724 -1.761 879 HG3 ARG 115 HG3 ARG 115 -8.333 12.162 -1.837 880 HD2 ARG 115 HD2 ARG 115 -10.628 11.764 -1.311 881 HD3 ARG 115 HD3 ARG 115 -9.705 11.425 0.143 882 HE ARG 115 HE ARG 115 -10.632 13.246 1.222 883 HH11 ARG 115 HH11 ARG 115 -11.660 13.280 -2.202 884 HH12 ARG 115 HH12 ARG 115 -13.131 14.147 -1.827 885 HH21 ARG 115 HH21 ARG 115 -12.530 14.458 1.592 886 HH22 ARG 115 HH22 ARG 115 -13.612 14.810 0.264 887 H GLU 116 H GLU 116 -5.068 11.267 1.856 888 HA GLU 116 HA GLU 116 -3.784 13.792 2.712 889 HB2 GLU 116 HB2 GLU 116 -4.488 11.214 4.144 890 HB3 GLU 116 HB3 GLU 116 -3.482 12.492 4.847 891 HG2 GLU 116 HG2 GLU 116 -5.310 14.068 4.780 892 HG3 GLU 116 HG3 GLU 116 -6.339 12.946 3.877 893 H TYR 117 H TYR 117 -1.595 13.701 2.919 894 HA TYR 117 HA TYR 117 -0.206 11.596 1.361 895 HB2 TYR 117 HB2 TYR 117 0.765 14.238 2.488 896 HB3 TYR 117 HB3 TYR 117 1.729 13.120 1.541 897 HD1 TYR 117 HD1 TYR 117 -1.433 12.930 -0.042 898 HD2 TYR 117 HD2 TYR 117 1.899 15.616 0.524 899 HE1 TYR 117 HE1 TYR 117 -2.143 14.196 -1.986 900 HE2 TYR 117 HE2 TYR 117 1.149 16.882 -1.505 901 HH TYR 117 HH TYR 117 -1.590 15.835 -3.492 902 H TYR 118 H TYR 118 0.971 10.037 2.282 903 HA TYR 118 HA TYR 118 1.595 10.297 5.216 904 HB2 TYR 118 HB2 TYR 118 0.718 7.837 3.705 905 HB3 TYR 118 HB3 TYR 118 1.281 7.852 5.364 906 HD1 TYR 118 HD2 TYR 118 -0.019 8.801 7.142 907 HD2 TYR 118 HD1 TYR 118 -1.571 8.757 3.143 908 HE1 TYR 118 HE2 TYR 118 -2.360 9.102 8.043 909 HE2 TYR 118 HE1 TYR 118 -3.844 9.082 4.017 910 HH TYR 118 HH TYR 118 -5.073 9.929 6.211 911 H ARG 119 H ARG 119 3.659 10.072 5.749 912 HA ARG 119 HA ARG 119 5.669 9.583 3.687 913 HB2 ARG 119 HB2 ARG 119 5.963 11.181 5.579 914 HB3 ARG 119 HB3 ARG 119 5.984 9.822 6.710 915 HG2 ARG 119 HG2 ARG 119 7.864 9.673 4.389 916 HG3 ARG 119 HG3 ARG 119 8.197 10.962 5.551 917 HD2 ARG 119 HD2 ARG 119 7.950 8.011 6.292 918 HD3 ARG 119 HD3 ARG 119 9.440 8.911 6.005 919 HE ARG 119 HE ARG 119 7.892 10.258 8.014 920 HH11 ARG 119 HH11 ARG 119 10.540 7.832 7.703 921 HH12 ARG 119 HH12 ARG 119 10.557 7.556 9.389 922 HH21 ARG 119 HH21 ARG 119 8.319 10.155 10.113 923 HH22 ARG 119 HH22 ARG 119 9.510 9.076 10.808 924 H ALA 120 H ALA 120 6.495 7.622 3.117 925 HA ALA 120 HA ALA 120 5.977 5.341 4.923 926 HB1 ALA 120 HB1 ALA 120 5.332 3.971 3.146 927 HB2 ALA 120 HB2 ALA 120 4.477 5.495 2.850 928 HB3 ALA 120 HB3 ALA 120 5.940 5.096 1.919 929 H VAL 121 H VAL 121 7.588 3.712 4.964 930 HA VAL 121 HA VAL 121 10.226 4.439 3.778 931 HB VAL 121 HB VAL 121 9.950 4.857 6.182 932 HG11 VAL 121 HG11 VAL 121 8.323 3.513 6.765 933 HG12 VAL 121 HG12 VAL 121 9.353 2.038 6.637 934 HG13 VAL 121 HG13 VAL 121 9.738 3.342 7.809 935 HG21 VAL 121 HG21 VAL 121 11.998 3.959 6.912 936 HG22 VAL 121 HG22 VAL 121 11.806 2.481 5.942 937 HG23 VAL 121 HG23 VAL 121 12.204 4.024 5.162 938 H LEU 122 H LEU 122 11.486 2.856 2.957 939 HA LEU 122 HA LEU 122 10.301 0.602 1.840 940 HB2 LEU 122 HB2 LEU 122 12.292 2.046 1.134 941 HB3 LEU 122 HB3 LEU 122 13.295 1.113 2.250 942 HG LEU 122 HG LEU 122 12.781 -0.957 0.947 943 HD11 LEU 122 HD11 LEU 122 11.177 1.019 -0.655 944 HD12 LEU 122 HD12 LEU 122 10.562 -0.493 0.061 945 HD13 LEU 122 HD13 LEU 122 11.625 -0.546 -1.347 946 HD21 LEU 122 HD21 LEU 122 13.830 -0.345 -1.262 947 HD22 LEU 122 HD22 LEU 122 14.730 0.341 0.101 948 HD23 LEU 122 HD23 LEU 122 13.639 1.355 -0.870 949 H ILE 123 H ILE 123 10.022 -1.559 2.533 950 HA ILE 123 HA ILE 123 10.740 -2.066 5.374 951 HB ILE 123 HB ILE 123 8.802 -3.336 3.400 952 HG12 ILE 123 HG12 ILE 123 8.185 -2.119 6.091 953 HG13 ILE 123 HG13 ILE 123 8.392 -1.063 4.703 954 HG21 ILE 123 HG21 ILE 123 9.623 -5.182 4.799 955 HG22 ILE 123 HG22 ILE 123 9.461 -4.189 6.263 956 HG23 ILE 123 HG23 ILE 123 8.027 -4.732 5.383 957 HD11 ILE 123 HD11 ILE 123 6.615 -1.929 3.531 958 HD12 ILE 123 HD12 ILE 123 6.466 -3.383 4.552 959 HD13 ILE 123 HD13 ILE 123 5.989 -1.798 5.168 960 H LYS 124 H LYS 124 10.778 -3.678 2.134 961 HA LYS 124 HA LYS 124 12.450 -5.770 2.994 962 HB2 LYS 124 HB2 LYS 124 12.682 -6.044 0.496 963 HB3 LYS 124 HB3 LYS 124 11.148 -6.341 1.245 964 HG2 LYS 124 HG2 LYS 124 11.041 -5.325 -0.981 965 HG3 LYS 124 HG3 LYS 124 10.210 -4.405 0.246 966 HD2 LYS 124 HD2 LYS 124 11.461 -3.120 -1.499 967 HD3 LYS 124 HD3 LYS 124 11.698 -2.667 0.169 968 HE2 LYS 124 HE2 LYS 124 13.709 -2.601 -1.453 969 HE3 LYS 124 HE3 LYS 124 13.954 -3.197 0.169 970 HZ1 LYS 124 HZ1 LYS 124 13.636 -4.921 -2.205 971 HZ2 LYS 124 HZ2 LYS 124 13.993 -5.434 -0.670 972 HZ3 LYS 124 HZ3 LYS 124 15.051 -4.505 -1.463 973 H ASN 125 H ASN 125 13.463 -2.844 3.263 974 HA ASN 125 HA ASN 125 16.102 -2.958 1.931 975 HB2 ASN 125 HB2 ASN 125 14.929 -0.802 2.022 976 HB3 ASN 125 HB3 ASN 125 14.739 -0.939 3.775 977 HD21 ASN 125 HD21 ASN 125 15.811 1.042 4.106 978 HD22 ASN 125 HD22 ASN 125 17.540 1.189 3.982 979 H GLU 126 H GLU 126 14.509 -3.018 5.224 980 HA GLU 126 HA GLU 126 17.026 -3.529 6.556 981 HB2 GLU 126 HB2 GLU 126 15.739 -3.937 8.546 982 HB3 GLU 126 HB3 GLU 126 15.232 -2.425 7.783 983 HG2 GLU 126 HG2 GLU 126 13.225 -3.421 6.966 984 HG3 GLU 126 HG3 GLU 126 13.688 -5.039 7.517 985 H LYS 127 H LYS 127 17.115 -5.715 7.947 986 HA LYS 127 HA LYS 127 16.198 -8.016 6.311 987 HB2 LYS 127 HB2 LYS 127 18.449 -8.932 6.255 988 HB3 LYS 127 HB3 LYS 127 18.380 -7.342 5.503 989 HG2 LYS 127 HG2 LYS 127 19.088 -6.612 8.065 990 HG3 LYS 127 HG3 LYS 127 19.791 -8.232 7.987 991 HD2 LYS 127 HD2 LYS 127 21.054 -7.615 5.982 992 HD3 LYS 127 HD3 LYS 127 20.253 -6.030 5.927 993 HE2 LYS 127 HE2 LYS 127 21.201 -5.410 8.102 994 HE3 LYS 127 HE3 LYS 127 21.973 -7.004 8.251 995 HZ1 LYS 127 HZ1 LYS 127 23.437 -5.182 7.406 996 HZ2 LYS 127 HZ2 LYS 127 22.528 -5.121 6.054 997 HZ3 LYS 127 HZ3 LYS 127 23.353 -6.526 6.434 998 H GLU 128 H GLU 128 15.252 -6.938 8.933 999 HA GLU 128 HA GLU 128 15.523 -9.390 10.473 1000 HB2 GLU 128 HB2 GLU 128 17.267 -7.884 11.394 1001 HB3 GLU 128 HB3 GLU 128 16.075 -6.584 11.558 1002 HG2 GLU 128 HG2 GLU 128 14.773 -7.973 13.141 1003 HG3 GLU 128 HG3 GLU 128 15.929 -9.299 12.945
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