NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
479760 | 2kt2 | 16207 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H1 MET 1 2.158 1.679 -0.372 2 H2 MET 1 H2 MET 1 1.276 0.285 -0.768 3 H3 MET 1 H3 MET 1 0.461 1.730 -0.417 4 HA MET 1 HA MET 1 1.394 2.776 -2.361 5 HB2 MET 1 HB2 MET 1 3.424 1.160 -2.269 6 HB3 MET 1 HB3 MET 1 2.411 0.078 -3.214 7 HG2 MET 1 HG2 MET 1 2.479 2.780 -4.279 8 HG3 MET 1 HG3 MET 1 4.073 2.037 -4.192 9 HE1 MET 1 HE1 MET 1 4.206 -0.563 -4.692 10 HE2 MET 1 HE2 MET 1 2.602 -1.284 -4.816 11 HE3 MET 1 HE3 MET 1 3.644 -1.201 -6.236 12 H THR 2 HN THR 2 0.436 -0.667 -2.401 13 HA THR 2 HA THR 2 -1.320 -0.214 -4.634 14 HB THR 2 HB THR 2 -1.682 -2.774 -3.344 15 HG1 THR 2 HG1 THR 2 0.419 -3.462 -3.325 16 HG21 THR 2 HG21 THR 2 -0.747 -3.528 -5.571 17 HG22 THR 2 HG22 THR 2 -0.576 -1.822 -5.984 18 HG23 THR 2 HG23 THR 2 -2.173 -2.494 -5.658 19 H HIS 3 HN HIS 3 -2.643 1.392 -3.477 20 HA HIS 3 HA HIS 3 -4.888 -0.021 -2.192 21 HB2 HIS 3 HB2 HIS 3 -3.621 2.563 -1.499 22 HB3 HIS 3 HB3 HIS 3 -5.366 2.497 -1.410 23 HD1 HIS 3 HD1 HIS 3 -2.285 1.402 0.327 24 HD2 HIS 3 HD2 HIS 3 -6.393 0.804 0.616 25 HE1 HIS 3 HE1 HIS 3 -2.666 0.383 2.593 26 HE2 HIS 3 HE2 HIS 3 -5.170 0.312 2.848 27 H LEU 4 HN LEU 4 -6.885 0.502 -2.910 28 HA LEU 4 HA LEU 4 -7.042 2.265 -5.255 29 HB2 LEU 4 HB2 LEU 4 -7.396 -0.537 -5.216 30 HB3 LEU 4 HB3 LEU 4 -8.990 0.163 -5.405 31 HG LEU 4 HG LEU 4 -7.939 1.542 -7.316 32 HD11 LEU 4 HD11 LEU 4 -5.970 0.786 -8.311 33 HD12 LEU 4 HD12 LEU 4 -5.599 0.799 -6.587 34 HD13 LEU 4 HD13 LEU 4 -5.977 -0.721 -7.396 35 HD21 LEU 4 HD21 LEU 4 -9.233 0.142 -8.443 36 HD22 LEU 4 HD22 LEU 4 -7.894 -1.005 -8.503 37 HD23 LEU 4 HD23 LEU 4 -9.062 -1.081 -7.183 38 H LYS 5 HN LYS 5 -9.055 3.291 -5.555 39 HA LYS 5 HA LYS 5 -10.636 3.409 -3.068 40 HB2 LYS 5 HB2 LYS 5 -9.271 5.446 -4.000 41 HB3 LYS 5 HB3 LYS 5 -10.647 5.620 -5.080 42 HG2 LYS 5 HG2 LYS 5 -12.089 5.600 -2.991 43 HG3 LYS 5 HG3 LYS 5 -10.585 5.812 -2.088 44 HD2 LYS 5 HD2 LYS 5 -10.739 8.000 -2.458 45 HD3 LYS 5 HD3 LYS 5 -10.511 7.686 -4.179 46 HE2 LYS 5 HE2 LYS 5 -12.506 8.729 -4.327 47 HE3 LYS 5 HE3 LYS 5 -13.115 7.111 -3.973 48 HZ1 LYS 5 HZ1 LYS 5 -14.016 7.862 -2.119 49 HZ2 LYS 5 HZ2 LYS 5 -13.514 9.436 -2.507 50 HZ3 LYS 5 HZ3 LYS 5 -12.521 8.440 -1.561 51 H ILE 6 HN ILE 6 -12.789 3.147 -3.133 52 HA ILE 6 HA ILE 6 -13.910 2.231 -5.667 53 HB ILE 6 HB ILE 6 -14.476 1.729 -2.819 54 HG12 ILE 6 HG12 ILE 6 -15.254 -0.463 -3.859 55 HG13 ILE 6 HG13 ILE 6 -14.736 0.199 -5.405 56 HG21 ILE 6 HG21 ILE 6 -16.818 1.206 -3.077 57 HG22 ILE 6 HG22 ILE 6 -16.551 2.905 -3.470 58 HG23 ILE 6 HG23 ILE 6 -16.783 1.726 -4.762 59 HD11 ILE 6 HD11 ILE 6 -12.717 -0.595 -4.989 60 HD12 ILE 6 HD12 ILE 6 -12.577 0.556 -3.659 61 HD13 ILE 6 HD13 ILE 6 -13.192 -1.071 -3.358 62 H THR 7 HN THR 7 -15.378 3.330 -6.811 63 HA THR 7 HA THR 7 -16.809 5.562 -5.580 64 HB THR 7 HB THR 7 -16.048 6.401 -8.194 65 HG1 THR 7 HG1 THR 7 -14.081 5.050 -6.819 66 HG21 THR 7 HG21 THR 7 -16.629 7.734 -6.097 67 HG22 THR 7 HG22 THR 7 -15.297 8.345 -7.080 68 HG23 THR 7 HG23 THR 7 -14.961 7.455 -5.595 69 H GLY 8 HN GLY 8 -18.570 6.351 -7.059 70 HA2 GLY 8 HA1 GLY 8 -20.226 6.008 -8.658 71 HA3 GLY 8 HA2 GLY 8 -19.373 4.567 -9.194 72 H MET 9 HN MET 9 -19.219 3.057 -6.979 73 HA MET 9 HA MET 9 -21.963 2.196 -6.620 74 HB2 MET 9 HB2 MET 9 -19.388 1.005 -5.576 75 HB3 MET 9 HB3 MET 9 -20.976 0.260 -5.482 76 HG2 MET 9 HG2 MET 9 -21.072 -0.120 -7.766 77 HG3 MET 9 HG3 MET 9 -19.797 1.044 -8.114 78 HE1 MET 9 HE1 MET 9 -17.355 0.712 -7.833 79 HE2 MET 9 HE2 MET 9 -17.402 0.306 -6.117 80 HE3 MET 9 HE3 MET 9 -16.544 -0.740 -7.251 81 H THR 10 HN THR 10 -21.903 1.059 -4.122 82 HA THR 10 HA THR 10 -21.578 3.380 -2.349 83 HB THR 10 HB THR 10 -23.338 0.978 -1.827 84 HG1 THR 10 HG1 THR 10 -23.864 3.468 -3.118 85 HG21 THR 10 HG21 THR 10 -24.341 3.232 -0.549 86 HG22 THR 10 HG22 THR 10 -22.596 3.359 -0.333 87 HG23 THR 10 HG23 THR 10 -23.446 1.912 0.208 88 H CYS 11 HN CYS 11 -21.764 -0.147 -1.787 89 HA CYS 11 HA CYS 11 -19.092 -0.530 -1.069 90 HB2 CYS 11 HB2 CYS 11 -19.390 -0.689 1.413 91 HB3 CYS 11 HB3 CYS 11 -19.401 0.945 0.767 92 HG CYS 11 HG CYS 11 -22.483 -0.206 0.882 93 H ASP 12 HN ASP 12 -19.024 -2.448 0.668 94 HA ASP 12 HA ASP 12 -19.386 -4.617 1.097 95 HB2 ASP 12 HB2 ASP 12 -21.326 -3.544 2.270 96 HB3 ASP 12 HB3 ASP 12 -22.318 -3.950 0.873 97 H SER 13 HN SER 13 -22.399 -4.749 -0.646 98 HA SER 13 HA SER 13 -21.595 -7.005 -2.109 99 HB2 SER 13 HB2 SER 13 -23.742 -5.544 -3.400 100 HB3 SER 13 HB3 SER 13 -23.789 -7.105 -2.578 101 HG SER 13 HG SER 13 -24.108 -6.061 -0.635 102 H CYS 14 HN CYS 14 -21.447 -3.589 -2.773 103 HA CYS 14 HA CYS 14 -20.739 -3.780 -5.512 104 HB2 CYS 14 HB2 CYS 14 -19.859 -1.602 -3.616 105 HB3 CYS 14 HB3 CYS 14 -20.118 -1.494 -5.343 106 HG CYS 14 HG CYS 14 -22.993 -2.266 -4.658 107 H ALA 15 HN ALA 15 -18.912 -3.750 -2.495 108 HA ALA 15 HA ALA 15 -16.345 -3.674 -3.737 109 HB1 ALA 15 HB1 ALA 15 -15.449 -3.951 -1.577 110 HB2 ALA 15 HB2 ALA 15 -16.921 -3.003 -1.357 111 HB3 ALA 15 HB3 ALA 15 -16.918 -4.727 -0.982 112 H ALA 16 HN ALA 16 -18.624 -6.166 -3.064 113 HA ALA 16 HA ALA 16 -16.890 -8.383 -2.910 114 HB1 ALA 16 HB1 ALA 16 -19.689 -7.933 -2.877 115 HB2 ALA 16 HB2 ALA 16 -19.353 -9.183 -4.075 116 HB3 ALA 16 HB3 ALA 16 -18.805 -9.387 -2.411 117 H HIS 17 HN HIS 17 -18.619 -6.923 -5.651 118 HA HIS 17 HA HIS 17 -17.614 -8.809 -7.541 119 HB2 HIS 17 HB2 HIS 17 -19.681 -7.209 -7.723 120 HB3 HIS 17 HB3 HIS 17 -18.501 -6.074 -8.361 121 HD1 HIS 17 HD1 HIS 17 -19.845 -6.245 -10.659 122 HD2 HIS 17 HD2 HIS 17 -17.884 -9.711 -9.444 123 HE1 HIS 17 HE1 HIS 17 -19.727 -7.714 -12.698 124 HE2 HIS 17 HE2 HIS 17 -18.323 -9.684 -11.993 125 H VAL 18 HN VAL 18 -16.602 -5.675 -6.377 126 HA VAL 18 HA VAL 18 -14.521 -5.191 -8.202 127 HB VAL 18 HB VAL 18 -14.796 -4.405 -5.296 128 HG11 VAL 18 HG11 VAL 18 -12.799 -3.314 -7.271 129 HG12 VAL 18 HG12 VAL 18 -12.973 -2.873 -5.573 130 HG13 VAL 18 HG13 VAL 18 -12.411 -4.486 -6.013 131 HG21 VAL 18 HG21 VAL 18 -14.856 -2.350 -7.370 132 HG22 VAL 18 HG22 VAL 18 -16.164 -3.526 -7.494 133 HG23 VAL 18 HG23 VAL 18 -15.938 -2.613 -6.001 134 H LYS 19 HN LYS 19 -14.497 -6.849 -5.056 135 HA LYS 19 HA LYS 19 -11.795 -7.640 -5.133 136 HB2 LYS 19 HB2 LYS 19 -13.064 -7.684 -3.063 137 HB3 LYS 19 HB3 LYS 19 -14.174 -8.870 -3.732 138 HG2 LYS 19 HG2 LYS 19 -11.683 -10.063 -3.981 139 HG3 LYS 19 HG3 LYS 19 -11.630 -9.257 -2.412 140 HD2 LYS 19 HD2 LYS 19 -13.942 -10.332 -2.032 141 HD3 LYS 19 HD3 LYS 19 -13.508 -11.383 -3.381 142 HE2 LYS 19 HE2 LYS 19 -11.331 -11.192 -1.516 143 HE3 LYS 19 HE3 LYS 19 -12.806 -11.683 -0.684 144 HZ1 LYS 19 HZ1 LYS 19 -12.956 -13.288 -2.755 145 HZ2 LYS 19 HZ2 LYS 19 -12.066 -13.699 -1.373 146 HZ3 LYS 19 HZ3 LYS 19 -11.272 -13.085 -2.743 147 H GLU 20 HN GLU 20 -14.744 -9.159 -6.319 148 HA GLU 20 HA GLU 20 -13.596 -11.618 -7.072 149 HB2 GLU 20 HB2 GLU 20 -16.101 -10.850 -6.893 150 HB3 GLU 20 HB3 GLU 20 -15.884 -10.421 -8.584 151 HG2 GLU 20 HG2 GLU 20 -14.867 -13.042 -8.206 152 HG3 GLU 20 HG3 GLU 20 -16.461 -12.952 -7.458 153 H ALA 21 HN ALA 21 -14.092 -8.605 -8.839 154 HA ALA 21 HA ALA 21 -13.118 -9.541 -11.332 155 HB1 ALA 21 HB1 ALA 21 -14.042 -7.586 -11.878 156 HB2 ALA 21 HB2 ALA 21 -14.000 -7.026 -10.207 157 HB3 ALA 21 HB3 ALA 21 -12.592 -6.808 -11.245 158 H LEU 22 HN LEU 22 -11.623 -8.164 -8.493 159 HA LEU 22 HA LEU 22 -9.035 -7.766 -9.574 160 HB2 LEU 22 HB2 LEU 22 -10.187 -8.001 -6.831 161 HB3 LEU 22 HB3 LEU 22 -8.448 -8.124 -7.020 162 HG LEU 22 HG LEU 22 -9.942 -5.793 -8.180 163 HD11 LEU 22 HD11 LEU 22 -10.657 -5.624 -5.972 164 HD12 LEU 22 HD12 LEU 22 -9.132 -6.237 -5.330 165 HD13 LEU 22 HD13 LEU 22 -9.210 -4.618 -6.024 166 HD21 LEU 22 HD21 LEU 22 -7.122 -6.480 -7.524 167 HD22 LEU 22 HD22 LEU 22 -7.791 -5.708 -8.962 168 HD23 LEU 22 HD23 LEU 22 -7.627 -4.791 -7.464 169 H GLU 23 HN GLU 23 -10.553 -10.444 -7.828 170 HA GLU 23 HA GLU 23 -8.206 -12.084 -7.931 171 HB2 GLU 23 HB2 GLU 23 -10.984 -12.387 -6.935 172 HB3 GLU 23 HB3 GLU 23 -10.113 -13.864 -7.333 173 HG2 GLU 23 HG2 GLU 23 -8.381 -13.351 -5.790 174 HG3 GLU 23 HG3 GLU 23 -9.014 -11.729 -5.529 175 H LYS 24 HN LYS 24 -10.683 -11.357 -10.136 176 HA LYS 24 HA LYS 24 -10.485 -13.739 -11.714 177 HB2 LYS 24 HB2 LYS 24 -11.843 -11.159 -11.875 178 HB3 LYS 24 HB3 LYS 24 -11.223 -11.683 -13.435 179 HG2 LYS 24 HG2 LYS 24 -12.685 -13.392 -13.597 180 HG3 LYS 24 HG3 LYS 24 -12.684 -13.708 -11.861 181 HD2 LYS 24 HD2 LYS 24 -14.353 -12.201 -11.450 182 HD3 LYS 24 HD3 LYS 24 -13.890 -11.160 -12.797 183 HE2 LYS 24 HE2 LYS 24 -15.162 -12.291 -14.289 184 HE3 LYS 24 HE3 LYS 24 -14.892 -13.846 -13.505 185 HZ1 LYS 24 HZ1 LYS 24 -16.379 -12.349 -11.715 186 HZ2 LYS 24 HZ2 LYS 24 -16.920 -13.650 -12.663 187 HZ3 LYS 24 HZ3 LYS 24 -17.086 -12.066 -13.232 188 H VAL 25 HN VAL 25 -8.647 -10.892 -11.259 189 HA VAL 25 HA VAL 25 -7.027 -11.245 -13.637 190 HB VAL 25 HB VAL 25 -6.758 -9.383 -11.270 191 HG11 VAL 25 HG11 VAL 25 -4.734 -10.162 -13.001 192 HG12 VAL 25 HG12 VAL 25 -5.288 -8.618 -13.650 193 HG13 VAL 25 HG13 VAL 25 -4.746 -8.727 -11.976 194 HG21 VAL 25 HG21 VAL 25 -8.678 -8.905 -12.698 195 HG22 VAL 25 HG22 VAL 25 -7.453 -7.644 -12.840 196 HG23 VAL 25 HG23 VAL 25 -7.625 -8.855 -14.111 197 HA PRO 26 HA PRO 26 -4.622 -14.334 -11.482 198 HB2 PRO 26 HB2 PRO 26 -2.794 -14.769 -13.435 199 HB3 PRO 26 HB3 PRO 26 -4.450 -15.386 -13.516 200 HG2 PRO 26 HG2 PRO 26 -3.269 -12.951 -14.800 201 HG3 PRO 26 HG3 PRO 26 -4.358 -14.164 -15.496 202 HD2 PRO 26 HD2 PRO 26 -5.236 -11.762 -14.615 203 HD3 PRO 26 HD3 PRO 26 -6.229 -13.231 -14.515 204 H GLY 27 HN GLY 27 -3.777 -11.199 -11.892 205 HA2 GLY 27 HA1 GLY 27 -0.976 -11.537 -11.103 206 HA3 GLY 27 HA2 GLY 27 -1.745 -10.023 -11.560 207 H VAL 28 HN VAL 28 -3.952 -11.361 -9.640 208 HA VAL 28 HA VAL 28 -3.239 -9.674 -7.418 209 HB VAL 28 HB VAL 28 -5.614 -10.202 -8.403 210 HG11 VAL 28 HG11 VAL 28 -5.796 -12.159 -6.173 211 HG12 VAL 28 HG12 VAL 28 -6.781 -12.002 -7.627 212 HG13 VAL 28 HG13 VAL 28 -5.169 -12.711 -7.726 213 HG21 VAL 28 HG21 VAL 28 -5.503 -10.141 -5.417 214 HG22 VAL 28 HG22 VAL 28 -4.851 -8.795 -6.353 215 HG23 VAL 28 HG23 VAL 28 -6.548 -9.246 -6.521 216 H GLN 29 HN GLN 29 -2.707 -10.255 -5.377 217 HA GLN 29 HA GLN 29 -1.993 -13.084 -4.946 218 HB2 GLN 29 HB2 GLN 29 -0.897 -10.556 -3.694 219 HB3 GLN 29 HB3 GLN 29 -0.474 -12.176 -3.163 220 HG2 GLN 29 HG2 GLN 29 -0.022 -12.154 -5.918 221 HG3 GLN 29 HG3 GLN 29 0.598 -10.617 -5.322 222 HE21 GLN 29 HE21 GLN 29 1.791 -13.266 -6.268 223 HE22 GLN 29 HE22 GLN 29 2.998 -13.608 -5.074 224 H SER 30 HN SER 30 -3.228 -10.184 -3.347 225 HA SER 30 HA SER 30 -5.123 -11.741 -1.814 226 HB2 SER 30 HB2 SER 30 -3.764 -10.049 0.081 227 HB3 SER 30 HB3 SER 30 -4.022 -11.792 0.145 228 HG SER 30 HG SER 30 -2.015 -12.069 -0.396 229 H ALA 31 HN ALA 31 -6.798 -10.576 -2.607 230 HA ALA 31 HA ALA 31 -6.670 -7.651 -2.455 231 HB1 ALA 31 HB1 ALA 31 -8.706 -9.424 -3.804 232 HB2 ALA 31 HB2 ALA 31 -8.643 -7.663 -3.889 233 HB3 ALA 31 HB3 ALA 31 -7.347 -8.627 -4.597 234 H LEU 32 HN LEU 32 -7.215 -6.965 -0.449 235 HA LEU 32 HA LEU 32 -9.755 -7.992 0.629 236 HB2 LEU 32 HB2 LEU 32 -8.906 -7.163 2.860 237 HB3 LEU 32 HB3 LEU 32 -8.117 -8.583 2.207 238 HG LEU 32 HG LEU 32 -6.725 -6.155 1.443 239 HD11 LEU 32 HD11 LEU 32 -6.077 -6.454 4.199 240 HD12 LEU 32 HD12 LEU 32 -6.647 -5.020 3.345 241 HD13 LEU 32 HD13 LEU 32 -7.808 -6.143 4.058 242 HD21 LEU 32 HD21 LEU 32 -4.826 -7.386 2.066 243 HD22 LEU 32 HD22 LEU 32 -5.741 -8.402 3.180 244 HD23 LEU 32 HD23 LEU 32 -5.953 -8.588 1.440 245 H VAL 33 HN VAL 33 -11.315 -6.622 0.220 246 HA VAL 33 HA VAL 33 -10.707 -3.779 -0.082 247 HB VAL 33 HB VAL 33 -13.372 -5.096 -0.582 248 HG11 VAL 33 HG11 VAL 33 -12.198 -2.676 -1.923 249 HG12 VAL 33 HG12 VAL 33 -13.880 -3.205 -1.887 250 HG13 VAL 33 HG13 VAL 33 -13.124 -2.573 -0.424 251 HG21 VAL 33 HG21 VAL 33 -10.977 -4.942 -2.390 252 HG22 VAL 33 HG22 VAL 33 -11.949 -6.352 -1.967 253 HG23 VAL 33 HG23 VAL 33 -12.619 -5.102 -3.015 254 H SER 34 HN SER 34 -11.381 -2.256 1.319 255 HA SER 34 HA SER 34 -12.840 -3.150 3.690 256 HB2 SER 34 HB2 SER 34 -11.856 -0.394 3.677 257 HB3 SER 34 HB3 SER 34 -11.586 -1.680 4.854 258 HG SER 34 HG SER 34 -9.638 -1.641 4.050 259 H TYR 35 HN TYR 35 -14.938 -3.154 3.081 260 HA TYR 35 HA TYR 35 -16.165 -1.274 1.430 261 HB2 TYR 35 HB2 TYR 35 -17.915 -2.651 1.570 262 HB3 TYR 35 HB3 TYR 35 -16.880 -3.674 2.538 263 HD1 TYR 35 HD1 TYR 35 -19.410 -0.946 2.842 264 HD2 TYR 35 HD2 TYR 35 -17.532 -4.290 4.684 265 HE1 TYR 35 HE1 TYR 35 -21.022 -0.825 4.690 266 HE2 TYR 35 HE2 TYR 35 -19.140 -4.175 6.539 267 HH TYR 35 HH TYR 35 -21.386 -1.500 6.853 268 HA PRO 36 HA PRO 36 -17.661 1.082 5.366 269 HB2 PRO 36 HB2 PRO 36 -15.630 0.597 7.412 270 HB3 PRO 36 HB3 PRO 36 -17.385 0.448 7.528 271 HG2 PRO 36 HG2 PRO 36 -15.761 -1.699 7.570 272 HG3 PRO 36 HG3 PRO 36 -17.377 -1.749 6.841 273 HD2 PRO 36 HD2 PRO 36 -14.704 -1.458 5.508 274 HD3 PRO 36 HD3 PRO 36 -16.087 -2.477 5.047 275 H LYS 37 HN LYS 37 -14.560 0.757 4.125 276 HA LYS 37 HA LYS 37 -13.715 3.438 4.956 277 HB2 LYS 37 HB2 LYS 37 -12.335 0.965 4.059 278 HB3 LYS 37 HB3 LYS 37 -11.611 2.495 3.587 279 HG2 LYS 37 HG2 LYS 37 -12.374 2.363 6.403 280 HG3 LYS 37 HG3 LYS 37 -11.145 1.188 5.924 281 HD2 LYS 37 HD2 LYS 37 -10.231 3.406 4.681 282 HD3 LYS 37 HD3 LYS 37 -10.999 4.120 6.101 283 HE2 LYS 37 HE2 LYS 37 -9.297 1.748 6.563 284 HE3 LYS 37 HE3 LYS 37 -8.469 3.229 6.083 285 HZ1 LYS 37 HZ1 LYS 37 -10.475 3.474 8.181 286 HZ2 LYS 37 HZ2 LYS 37 -8.977 4.251 8.013 287 HZ3 LYS 37 HZ3 LYS 37 -9.048 2.657 8.595 288 H GLY 38 HN GLY 38 -14.625 1.492 2.209 289 HA2 GLY 38 HA1 GLY 38 -15.261 2.179 0.079 290 HA3 GLY 38 HA2 GLY 38 -14.809 3.825 0.507 291 H THR 39 HN THR 39 -12.571 1.304 1.143 292 HA THR 39 HA THR 39 -11.000 2.037 -1.227 293 HB THR 39 HB THR 39 -9.225 1.573 0.963 294 HG1 THR 39 HG1 THR 39 -11.381 3.338 1.465 295 HG21 THR 39 HG21 THR 39 -9.510 4.341 0.075 296 HG22 THR 39 HG22 THR 39 -9.363 3.192 -1.256 297 HG23 THR 39 HG23 THR 39 -8.116 3.265 -0.011 298 H ALA 40 HN ALA 40 -9.311 0.471 -1.726 299 HA ALA 40 HA ALA 40 -9.874 -2.205 -0.623 300 HB1 ALA 40 HB1 ALA 40 -8.773 -2.399 -3.248 301 HB2 ALA 40 HB2 ALA 40 -10.342 -2.950 -2.662 302 HB3 ALA 40 HB3 ALA 40 -10.162 -1.313 -3.290 303 H GLN 41 HN GLN 41 -8.171 -3.327 0.107 304 HA GLN 41 HA GLN 41 -5.488 -2.239 -0.430 305 HB2 GLN 41 HB2 GLN 41 -6.442 -2.497 1.992 306 HB3 GLN 41 HB3 GLN 41 -6.078 -4.203 1.764 307 HG2 GLN 41 HG2 GLN 41 -3.791 -2.805 0.949 308 HG3 GLN 41 HG3 GLN 41 -4.330 -2.041 2.442 309 HE21 GLN 41 HE21 GLN 41 -3.526 -5.161 0.996 310 HE22 GLN 41 HE22 GLN 41 -2.987 -5.904 2.466 311 H LEU 42 HN LEU 42 -5.511 -3.317 -2.471 312 HA LEU 42 HA LEU 42 -5.544 -6.225 -2.337 313 HB2 LEU 42 HB2 LEU 42 -5.859 -6.260 -4.724 314 HB3 LEU 42 HB3 LEU 42 -7.059 -5.246 -3.969 315 HG LEU 42 HG LEU 42 -6.581 -4.083 -5.892 316 HD11 LEU 42 HD11 LEU 42 -5.537 -2.066 -5.368 317 HD12 LEU 42 HD12 LEU 42 -6.177 -2.666 -3.839 318 HD13 LEU 42 HD13 LEU 42 -4.456 -2.823 -4.198 319 HD21 LEU 42 HD21 LEU 42 -4.697 -4.154 -7.144 320 HD22 LEU 42 HD22 LEU 42 -3.626 -4.238 -5.744 321 HD23 LEU 42 HD23 LEU 42 -4.521 -5.669 -6.258 322 H ALA 43 HN ALA 43 -3.771 -7.325 -2.275 323 HA ALA 43 HA ALA 43 -1.241 -6.107 -3.072 324 HB1 ALA 43 HB1 ALA 43 -0.300 -7.456 -1.553 325 HB2 ALA 43 HB2 ALA 43 -1.941 -7.849 -1.036 326 HB3 ALA 43 HB3 ALA 43 -1.112 -8.880 -2.204 327 H ILE 44 HN ILE 44 -0.147 -6.664 -4.878 328 HA ILE 44 HA ILE 44 -1.209 -8.884 -6.484 329 HB ILE 44 HB ILE 44 -0.680 -7.390 -8.528 330 HG12 ILE 44 HG12 ILE 44 -1.465 -5.121 -6.743 331 HG13 ILE 44 HG13 ILE 44 0.231 -5.591 -6.818 332 HG21 ILE 44 HG21 ILE 44 -3.051 -7.621 -6.861 333 HG22 ILE 44 HG22 ILE 44 -3.061 -6.180 -7.878 334 HG23 ILE 44 HG23 ILE 44 -2.871 -7.774 -8.608 335 HD11 ILE 44 HD11 ILE 44 -0.321 -5.446 -9.441 336 HD12 ILE 44 HD12 ILE 44 -1.458 -4.250 -8.820 337 HD13 ILE 44 HD13 ILE 44 0.264 -4.083 -8.487 338 H VAL 45 HN VAL 45 0.247 -9.595 -8.173 339 HA VAL 45 HA VAL 45 2.950 -9.785 -7.258 340 HB VAL 45 HB VAL 45 1.327 -11.378 -8.787 341 HG11 VAL 45 HG11 VAL 45 3.433 -10.587 -10.749 342 HG12 VAL 45 HG12 VAL 45 1.930 -11.473 -11.009 343 HG13 VAL 45 HG13 VAL 45 1.889 -9.736 -10.709 344 HG21 VAL 45 HG21 VAL 45 4.311 -11.390 -8.461 345 HG22 VAL 45 HG22 VAL 45 3.103 -12.292 -7.547 346 HG23 VAL 45 HG23 VAL 45 3.431 -12.711 -9.229 347 HA PRO 46 HA PRO 46 4.699 -6.329 -9.471 348 HB2 PRO 46 HB2 PRO 46 7.102 -7.966 -9.942 349 HB3 PRO 46 HB3 PRO 46 6.926 -6.470 -9.020 350 HG2 PRO 46 HG2 PRO 46 7.336 -8.821 -7.800 351 HG3 PRO 46 HG3 PRO 46 6.287 -7.578 -7.094 352 HD2 PRO 46 HD2 PRO 46 5.531 -10.056 -8.604 353 HD3 PRO 46 HD3 PRO 46 4.809 -9.372 -7.131 354 H GLY 47 HN GLY 47 3.020 -7.341 -11.127 355 HA2 GLY 47 HA1 GLY 47 4.401 -7.310 -13.685 356 HA3 GLY 47 HA2 GLY 47 3.468 -8.764 -13.341 357 H THR 48 HN THR 48 1.410 -7.509 -11.863 358 HA THR 48 HA THR 48 -0.253 -6.436 -13.914 359 HB THR 48 HB THR 48 -1.307 -5.912 -11.313 360 HG1 THR 48 HG1 THR 48 -0.462 -7.479 -10.185 361 HG21 THR 48 HG21 THR 48 -1.969 -7.412 -13.724 362 HG22 THR 48 HG22 THR 48 -3.023 -6.532 -12.615 363 HG23 THR 48 HG23 THR 48 -2.546 -8.190 -12.251 364 H SER 49 HN SER 49 -1.520 -4.374 -13.418 365 HA SER 49 HA SER 49 0.244 -2.365 -12.284 366 HB2 SER 49 HB2 SER 49 -1.068 -1.033 -14.329 367 HB3 SER 49 HB3 SER 49 0.606 -1.590 -14.367 368 HG SER 49 HG SER 49 -0.839 -2.284 -16.135 369 HA PRO 50 HA PRO 50 -3.402 -1.399 -10.029 370 HB2 PRO 50 HB2 PRO 50 -2.280 1.273 -9.558 371 HB3 PRO 50 HB3 PRO 50 -2.632 -0.012 -8.398 372 HG2 PRO 50 HG2 PRO 50 -0.107 0.660 -9.064 373 HG3 PRO 50 HG3 PRO 50 -0.572 -1.005 -8.671 374 HD2 PRO 50 HD2 PRO 50 -0.108 0.251 -11.349 375 HD3 PRO 50 HD3 PRO 50 0.351 -1.364 -10.767 376 H ASP 51 HN ASP 51 -2.244 0.772 -12.504 377 HA ASP 51 HA ASP 51 -4.631 2.311 -12.643 378 HB2 ASP 51 HB2 ASP 51 -3.639 3.329 -14.525 379 HB3 ASP 51 HB3 ASP 51 -2.288 2.960 -13.472 380 H ALA 52 HN ALA 52 -3.577 -0.745 -13.712 381 HA ALA 52 HA ALA 52 -5.399 -0.944 -15.932 382 HB1 ALA 52 HB1 ALA 52 -3.120 -2.247 -15.402 383 HB2 ALA 52 HB2 ALA 52 -4.276 -3.413 -14.760 384 HB3 ALA 52 HB3 ALA 52 -4.382 -2.905 -16.444 385 H LEU 53 HN LEU 53 -5.253 -1.940 -12.597 386 HA LEU 53 HA LEU 53 -7.692 -3.414 -12.614 387 HB2 LEU 53 HB2 LEU 53 -6.400 -2.113 -10.226 388 HB3 LEU 53 HB3 LEU 53 -7.445 -3.519 -10.248 389 HG LEU 53 HG LEU 53 -4.853 -3.657 -11.716 390 HD11 LEU 53 HD11 LEU 53 -4.514 -2.663 -9.381 391 HD12 LEU 53 HD12 LEU 53 -4.983 -4.256 -8.787 392 HD13 LEU 53 HD13 LEU 53 -3.569 -4.084 -9.826 393 HD21 LEU 53 HD21 LEU 53 -5.050 -5.946 -11.391 394 HD22 LEU 53 HD22 LEU 53 -6.112 -5.755 -9.996 395 HD23 LEU 53 HD23 LEU 53 -6.724 -5.438 -11.619 396 H THR 54 HN THR 54 -6.747 -0.130 -11.717 397 HA THR 54 HA THR 54 -9.227 0.841 -10.911 398 HB THR 54 HB THR 54 -7.049 2.324 -12.400 399 HG1 THR 54 HG1 THR 54 -6.173 1.531 -10.522 400 HG21 THR 54 HG21 THR 54 -9.572 3.178 -11.126 401 HG22 THR 54 HG22 THR 54 -8.659 3.919 -12.440 402 HG23 THR 54 HG23 THR 54 -8.150 4.158 -10.769 403 H ALA 55 HN ALA 55 -7.764 0.801 -14.161 404 HA ALA 55 HA ALA 55 -10.006 1.905 -15.485 405 HB1 ALA 55 HB1 ALA 55 -7.449 0.750 -16.238 406 HB2 ALA 55 HB2 ALA 55 -8.734 0.331 -17.370 407 HB3 ALA 55 HB3 ALA 55 -8.387 2.024 -17.017 408 H ALA 56 HN ALA 56 -9.084 -1.387 -14.655 409 HA ALA 56 HA ALA 56 -11.041 -2.742 -16.144 410 HB1 ALA 56 HB1 ALA 56 -10.426 -4.628 -15.012 411 HB2 ALA 56 HB2 ALA 56 -9.029 -3.611 -14.661 412 HB3 ALA 56 HB3 ALA 56 -10.310 -3.793 -13.462 413 H VAL 57 HN VAL 57 -11.152 -1.530 -12.794 414 HA VAL 57 HA VAL 57 -13.833 -2.332 -12.341 415 HB VAL 57 HB VAL 57 -12.260 -0.172 -10.957 416 HG11 VAL 57 HG11 VAL 57 -14.219 0.343 -10.012 417 HG12 VAL 57 HG12 VAL 57 -14.996 -1.112 -10.635 418 HG13 VAL 57 HG13 VAL 57 -14.058 -1.183 -9.143 419 HG21 VAL 57 HG21 VAL 57 -11.473 -2.665 -10.989 420 HG22 VAL 57 HG22 VAL 57 -11.454 -1.743 -9.486 421 HG23 VAL 57 HG23 VAL 57 -12.768 -2.874 -9.808 422 H ALA 58 HN ALA 58 -12.372 0.720 -13.409 423 HA ALA 58 HA ALA 58 -14.770 2.206 -13.511 424 HB1 ALA 58 HB1 ALA 58 -12.218 2.886 -13.734 425 HB2 ALA 58 HB2 ALA 58 -12.606 2.801 -15.452 426 HB3 ALA 58 HB3 ALA 58 -13.512 3.885 -14.396 427 H GLY 59 HN GLY 59 -13.287 -0.034 -15.727 428 HA2 GLY 59 HA1 GLY 59 -15.148 0.638 -17.867 429 HA3 GLY 59 HA2 GLY 59 -13.846 -0.543 -17.947 430 H LEU 60 HN LEU 60 -15.544 -0.982 -15.119 431 HA LEU 60 HA LEU 60 -17.081 -3.168 -16.307 432 HB2 LEU 60 HB2 LEU 60 -15.622 -2.805 -13.844 433 HB3 LEU 60 HB3 LEU 60 -17.254 -3.362 -13.533 434 HG LEU 60 HG LEU 60 -15.523 -4.759 -15.539 435 HD11 LEU 60 HD11 LEU 60 -15.157 -6.344 -13.467 436 HD12 LEU 60 HD12 LEU 60 -14.067 -4.997 -13.800 437 HD13 LEU 60 HD13 LEU 60 -15.324 -4.831 -12.576 438 HD21 LEU 60 HD21 LEU 60 -16.975 -6.563 -15.220 439 HD22 LEU 60 HD22 LEU 60 -17.608 -5.906 -13.711 440 HD23 LEU 60 HD23 LEU 60 -18.030 -5.150 -15.250 441 H GLY 61 HN GLY 61 -17.651 -0.142 -15.882 442 HA2 GLY 61 HA1 GLY 61 -19.801 0.846 -15.989 443 HA3 GLY 61 HA2 GLY 61 -20.456 -0.555 -15.153 444 H TYR 62 HN TYR 62 -17.817 0.020 -13.453 445 HA TYR 62 HA TYR 62 -19.205 1.793 -11.573 446 HB2 TYR 62 HB2 TYR 62 -16.795 0.125 -10.886 447 HB3 TYR 62 HB3 TYR 62 -18.053 0.734 -9.822 448 HD1 TYR 62 HD2 TYR 62 -20.527 -0.188 -10.772 449 HD2 TYR 62 HD1 TYR 62 -16.766 -2.166 -10.991 450 HE1 TYR 62 HE2 TYR 62 -21.679 -2.359 -10.888 451 HE2 TYR 62 HE1 TYR 62 -17.908 -4.341 -11.104 452 HH TYR 62 HH TYR 62 -21.415 -4.572 -11.375 453 H LYS 63 HN LYS 63 -17.046 2.610 -10.048 454 HA LYS 63 HA LYS 63 -15.145 3.781 -11.940 455 HB2 LYS 63 HB2 LYS 63 -17.113 5.343 -11.082 456 HB3 LYS 63 HB3 LYS 63 -16.083 5.468 -9.662 457 HG2 LYS 63 HG2 LYS 63 -14.785 5.892 -12.286 458 HG3 LYS 63 HG3 LYS 63 -15.914 7.134 -11.737 459 HD2 LYS 63 HD2 LYS 63 -14.668 7.436 -9.702 460 HD3 LYS 63 HD3 LYS 63 -13.612 6.079 -10.098 461 HE2 LYS 63 HE2 LYS 63 -13.840 8.449 -11.919 462 HE3 LYS 63 HE3 LYS 63 -12.763 8.477 -10.525 463 HZ1 LYS 63 HZ1 LYS 63 -11.582 7.786 -12.499 464 HZ2 LYS 63 HZ2 LYS 63 -12.680 6.525 -12.762 465 HZ3 LYS 63 HZ3 LYS 63 -11.661 6.492 -11.405 466 H ALA 64 HN ALA 64 -13.104 3.580 -11.281 467 HA ALA 64 HA ALA 64 -12.660 3.090 -8.416 468 HB1 ALA 64 HB1 ALA 64 -12.201 1.143 -9.941 469 HB2 ALA 64 HB2 ALA 64 -10.887 2.094 -10.632 470 HB3 ALA 64 HB3 ALA 64 -10.849 1.647 -8.926 471 H THR 65 HN THR 65 -10.832 4.013 -7.482 472 HA THR 65 HA THR 65 -9.222 5.814 -9.146 473 HB THR 65 HB THR 65 -9.435 6.875 -6.472 474 HG1 THR 65 HG1 THR 65 -11.811 6.071 -7.657 475 HG21 THR 65 HG21 THR 65 -9.938 7.852 -9.263 476 HG22 THR 65 HG22 THR 65 -8.659 8.310 -8.139 477 HG23 THR 65 HG23 THR 65 -10.311 8.868 -7.871 478 H LEU 66 HN LEU 66 -7.462 6.635 -7.112 479 HA LEU 66 HA LEU 66 -6.605 4.254 -5.723 480 HB2 LEU 66 HB2 LEU 66 -5.137 3.573 -7.245 481 HB3 LEU 66 HB3 LEU 66 -5.548 4.920 -8.286 482 HG LEU 66 HG LEU 66 -3.854 6.110 -6.499 483 HD11 LEU 66 HD11 LEU 66 -2.271 3.725 -7.146 484 HD12 LEU 66 HD12 LEU 66 -2.269 4.735 -5.699 485 HD13 LEU 66 HD13 LEU 66 -3.499 3.487 -5.904 486 HD21 LEU 66 HD21 LEU 66 -2.135 5.711 -8.372 487 HD22 LEU 66 HD22 LEU 66 -3.447 4.868 -9.196 488 HD23 LEU 66 HD23 LEU 66 -3.624 6.570 -8.769 489 H ALA 67 HN ALA 67 -5.909 4.795 -3.847 490 HA ALA 67 HA ALA 67 -4.213 7.059 -3.354 491 HB1 ALA 67 HB1 ALA 67 -6.349 7.371 -1.481 492 HB2 ALA 67 HB2 ALA 67 -5.714 8.544 -2.636 493 HB3 ALA 67 HB3 ALA 67 -7.009 7.446 -3.116 494 H ASP 68 HN ASP 68 -2.802 6.336 -1.876 495 HA ASP 68 HA ASP 68 -3.307 3.808 -0.662 496 HB2 ASP 68 HB2 ASP 68 -1.102 4.415 -1.649 497 HB3 ASP 68 HB3 ASP 68 -0.874 5.552 -0.321 498 H ALA 69 HN ALA 69 -4.914 4.180 0.858 499 HA ALA 69 HA ALA 69 -3.857 5.306 3.354 500 HB1 ALA 69 HB1 ALA 69 -6.629 5.556 3.527 501 HB2 ALA 69 HB2 ALA 69 -5.458 6.860 3.329 502 HB3 ALA 69 HB3 ALA 69 -6.222 6.138 1.912 Start of MODEL 2 1 H1 MET 1 H1 MET 1 2.137 -1.143 1.236 2 H2 MET 1 H2 MET 1 1.353 0.228 0.621 3 H3 MET 1 H3 MET 1 1.898 -0.980 -0.435 4 HA MET 1 HA MET 1 0.328 -2.533 0.356 5 HB2 MET 1 HB2 MET 1 -1.419 -1.623 2.047 6 HB3 MET 1 HB3 MET 1 0.137 -2.170 2.653 7 HG2 MET 1 HG2 MET 1 0.756 -0.109 3.317 8 HG3 MET 1 HG3 MET 1 -0.044 0.687 1.962 9 HE1 MET 1 HE1 MET 1 -0.050 1.989 4.804 10 HE2 MET 1 HE2 MET 1 -0.915 2.670 3.427 11 HE3 MET 1 HE3 MET 1 -1.740 2.465 4.971 12 H THR 2 HN THR 2 -0.208 -2.140 -1.781 13 HA THR 2 HA THR 2 -1.282 0.127 -2.904 14 HB THR 2 HB THR 2 -2.473 -2.044 -4.244 15 HG1 THR 2 HG1 THR 2 -1.339 -3.637 -3.343 16 HG21 THR 2 HG21 THR 2 -0.710 0.053 -4.759 17 HG22 THR 2 HG22 THR 2 -1.378 -1.077 -5.938 18 HG23 THR 2 HG23 THR 2 0.187 -1.402 -5.191 19 H HIS 3 HN HIS 3 -3.058 1.210 -2.339 20 HA HIS 3 HA HIS 3 -5.505 -0.349 -1.911 21 HB2 HIS 3 HB2 HIS 3 -6.162 1.940 -0.613 22 HB3 HIS 3 HB3 HIS 3 -5.605 0.479 0.168 23 HD1 HIS 3 HD1 HIS 3 -5.011 2.231 2.088 24 HD2 HIS 3 HD2 HIS 3 -2.646 2.423 -1.329 25 HE1 HIS 3 HE1 HIS 3 -2.960 3.525 2.750 26 HE2 HIS 3 HE2 HIS 3 -1.450 3.425 0.744 27 H LEU 4 HN LEU 4 -6.910 -0.064 -3.401 28 HA LEU 4 HA LEU 4 -6.834 2.308 -5.110 29 HB2 LEU 4 HB2 LEU 4 -7.588 -0.490 -5.417 30 HB3 LEU 4 HB3 LEU 4 -8.823 0.590 -6.029 31 HG LEU 4 HG LEU 4 -7.076 1.680 -7.453 32 HD11 LEU 4 HD11 LEU 4 -5.343 -0.703 -6.982 33 HD12 LEU 4 HD12 LEU 4 -4.921 0.886 -7.622 34 HD13 LEU 4 HD13 LEU 4 -5.224 0.681 -5.896 35 HD21 LEU 4 HD21 LEU 4 -8.501 0.147 -8.530 36 HD22 LEU 4 HD22 LEU 4 -6.869 -0.326 -9.000 37 HD23 LEU 4 HD23 LEU 4 -7.729 -1.238 -7.758 38 H LYS 5 HN LYS 5 -8.979 3.263 -5.708 39 HA LYS 5 HA LYS 5 -10.669 3.398 -3.303 40 HB2 LYS 5 HB2 LYS 5 -9.505 5.411 -4.849 41 HB3 LYS 5 HB3 LYS 5 -11.208 5.454 -5.260 42 HG2 LYS 5 HG2 LYS 5 -10.678 5.260 -2.390 43 HG3 LYS 5 HG3 LYS 5 -10.055 6.726 -3.145 44 HD2 LYS 5 HD2 LYS 5 -12.881 5.756 -2.941 45 HD3 LYS 5 HD3 LYS 5 -12.210 7.326 -2.499 46 HE2 LYS 5 HE2 LYS 5 -11.839 6.765 -5.312 47 HE3 LYS 5 HE3 LYS 5 -13.538 6.663 -4.857 48 HZ1 LYS 5 HZ1 LYS 5 -13.535 8.873 -4.119 49 HZ2 LYS 5 HZ2 LYS 5 -12.684 8.909 -5.578 50 HZ3 LYS 5 HZ3 LYS 5 -11.845 8.976 -4.104 51 H ILE 6 HN ILE 6 -12.720 2.805 -3.381 52 HA ILE 6 HA ILE 6 -13.771 1.893 -5.981 53 HB ILE 6 HB ILE 6 -14.508 0.906 -3.223 54 HG12 ILE 6 HG12 ILE 6 -12.247 0.216 -3.717 55 HG13 ILE 6 HG13 ILE 6 -13.307 -1.176 -3.898 56 HG21 ILE 6 HG21 ILE 6 -15.124 -0.630 -5.684 57 HG22 ILE 6 HG22 ILE 6 -16.016 -0.512 -4.167 58 HG23 ILE 6 HG23 ILE 6 -16.102 0.797 -5.347 59 HD11 ILE 6 HD11 ILE 6 -12.267 -1.489 -5.840 60 HD12 ILE 6 HD12 ILE 6 -13.243 -0.145 -6.432 61 HD13 ILE 6 HD13 ILE 6 -11.604 0.147 -5.851 62 H THR 7 HN THR 7 -15.209 3.330 -6.756 63 HA THR 7 HA THR 7 -17.133 4.504 -4.877 64 HB THR 7 HB THR 7 -16.681 6.463 -6.822 65 HG1 THR 7 HG1 THR 7 -14.625 5.159 -7.089 66 HG21 THR 7 HG21 THR 7 -15.815 6.204 -3.949 67 HG22 THR 7 HG22 THR 7 -17.242 7.025 -4.579 68 HG23 THR 7 HG23 THR 7 -15.637 7.693 -4.879 69 H GLY 8 HN GLY 8 -18.846 5.775 -6.257 70 HA2 GLY 8 HA1 GLY 8 -20.245 5.859 -8.145 71 HA3 GLY 8 HA2 GLY 8 -19.392 4.474 -8.813 72 H MET 9 HN MET 9 -19.565 2.731 -6.647 73 HA MET 9 HA MET 9 -22.343 1.928 -6.885 74 HB2 MET 9 HB2 MET 9 -19.826 0.620 -5.961 75 HB3 MET 9 HB3 MET 9 -21.361 -0.030 -5.406 76 HG2 MET 9 HG2 MET 9 -22.027 -0.612 -7.557 77 HG3 MET 9 HG3 MET 9 -20.845 0.455 -8.314 78 HE1 MET 9 HE1 MET 9 -17.901 -1.250 -6.297 79 HE2 MET 9 HE2 MET 9 -17.621 -0.862 -7.994 80 HE3 MET 9 HE3 MET 9 -18.510 0.263 -6.968 81 H THR 10 HN THR 10 -20.876 0.881 -3.995 82 HA THR 10 HA THR 10 -21.871 3.005 -2.327 83 HB THR 10 HB THR 10 -23.038 0.320 -1.733 84 HG1 THR 10 HG1 THR 10 -23.844 2.087 -3.769 85 HG21 THR 10 HG21 THR 10 -23.486 1.736 0.021 86 HG22 THR 10 HG22 THR 10 -24.904 2.029 -0.987 87 HG23 THR 10 HG23 THR 10 -23.553 3.162 -1.013 88 H CYS 11 HN CYS 11 -21.519 -0.460 -1.565 89 HA CYS 11 HA CYS 11 -18.976 -0.032 -0.274 90 HB2 CYS 11 HB2 CYS 11 -20.049 -0.913 1.928 91 HB3 CYS 11 HB3 CYS 11 -20.031 0.798 1.551 92 HG CYS 11 HG CYS 11 -22.655 -1.321 1.735 93 H ASP 12 HN ASP 12 -20.001 -2.287 1.618 94 HA ASP 12 HA ASP 12 -18.418 -4.270 0.734 95 HB2 ASP 12 HB2 ASP 12 -19.716 -5.838 2.149 96 HB3 ASP 12 HB3 ASP 12 -19.336 -4.317 2.946 97 H SER 13 HN SER 13 -21.943 -4.265 0.035 98 HA SER 13 HA SER 13 -21.871 -6.764 -1.273 99 HB2 SER 13 HB2 SER 13 -23.945 -4.710 -1.953 100 HB3 SER 13 HB3 SER 13 -24.132 -6.445 -1.691 101 HG SER 13 HG SER 13 -23.269 -5.556 0.589 102 H CYS 14 HN CYS 14 -21.327 -3.518 -2.355 103 HA CYS 14 HA CYS 14 -21.310 -4.162 -5.162 104 HB2 CYS 14 HB2 CYS 14 -20.149 -1.739 -3.788 105 HB3 CYS 14 HB3 CYS 14 -20.662 -1.869 -5.465 106 HG CYS 14 HG CYS 14 -23.369 -2.574 -4.113 107 H ALA 15 HN ALA 15 -18.950 -3.547 -2.627 108 HA ALA 15 HA ALA 15 -16.629 -3.628 -4.200 109 HB1 ALA 15 HB1 ALA 15 -17.159 -4.034 -1.278 110 HB2 ALA 15 HB2 ALA 15 -15.536 -4.184 -1.952 111 HB3 ALA 15 HB3 ALA 15 -16.411 -2.661 -2.094 112 H ALA 16 HN ALA 16 -18.635 -6.175 -2.981 113 HA ALA 16 HA ALA 16 -16.837 -8.308 -2.909 114 HB1 ALA 16 HB1 ALA 16 -19.778 -8.184 -3.523 115 HB2 ALA 16 HB2 ALA 16 -18.890 -9.705 -3.435 116 HB3 ALA 16 HB3 ALA 16 -18.991 -8.660 -2.019 117 H HIS 17 HN HIS 17 -18.804 -7.084 -5.598 118 HA HIS 17 HA HIS 17 -17.965 -8.954 -7.520 119 HB2 HIS 17 HB2 HIS 17 -19.881 -7.149 -7.584 120 HB3 HIS 17 HB3 HIS 17 -18.628 -6.148 -8.314 121 HD1 HIS 17 HD1 HIS 17 -19.471 -6.080 -10.692 122 HD2 HIS 17 HD2 HIS 17 -19.170 -9.949 -9.189 123 HE1 HIS 17 HE1 HIS 17 -19.843 -7.610 -12.657 124 HE2 HIS 17 HE2 HIS 17 -19.511 -9.942 -11.749 125 H VAL 18 HN VAL 18 -16.711 -5.803 -6.583 126 HA VAL 18 HA VAL 18 -14.714 -5.608 -8.573 127 HB VAL 18 HB VAL 18 -14.727 -4.371 -5.813 128 HG11 VAL 18 HG11 VAL 18 -13.102 -2.872 -6.547 129 HG12 VAL 18 HG12 VAL 18 -12.563 -4.419 -7.202 130 HG13 VAL 18 HG13 VAL 18 -13.380 -3.255 -8.246 131 HG21 VAL 18 HG21 VAL 18 -15.645 -3.091 -8.372 132 HG22 VAL 18 HG22 VAL 18 -16.744 -3.937 -7.283 133 HG23 VAL 18 HG23 VAL 18 -15.864 -2.516 -6.719 134 H LYS 19 HN LYS 19 -14.677 -6.822 -5.245 135 HA LYS 19 HA LYS 19 -11.947 -7.419 -5.083 136 HB2 LYS 19 HB2 LYS 19 -13.472 -7.383 -3.142 137 HB3 LYS 19 HB3 LYS 19 -14.256 -8.838 -3.739 138 HG2 LYS 19 HG2 LYS 19 -11.445 -9.299 -3.564 139 HG3 LYS 19 HG3 LYS 19 -12.024 -8.632 -2.036 140 HD2 LYS 19 HD2 LYS 19 -13.970 -10.429 -2.547 141 HD3 LYS 19 HD3 LYS 19 -12.596 -11.227 -3.316 142 HE2 LYS 19 HE2 LYS 19 -12.446 -10.137 -0.521 143 HE3 LYS 19 HE3 LYS 19 -13.048 -11.760 -0.858 144 HZ1 LYS 19 HZ1 LYS 19 -10.818 -11.935 -2.185 145 HZ2 LYS 19 HZ2 LYS 19 -10.842 -12.168 -0.502 146 HZ3 LYS 19 HZ3 LYS 19 -10.331 -10.686 -1.145 147 H GLU 20 HN GLU 20 -14.684 -9.456 -6.065 148 HA GLU 20 HA GLU 20 -13.130 -11.748 -6.593 149 HB2 GLU 20 HB2 GLU 20 -15.632 -11.654 -6.276 150 HB3 GLU 20 HB3 GLU 20 -15.745 -11.013 -7.909 151 HG2 GLU 20 HG2 GLU 20 -14.185 -13.310 -8.136 152 HG3 GLU 20 HG3 GLU 20 -15.483 -13.733 -7.020 153 H ALA 21 HN ALA 21 -14.128 -9.038 -8.607 154 HA ALA 21 HA ALA 21 -13.207 -10.077 -11.068 155 HB1 ALA 21 HB1 ALA 21 -13.503 -7.908 -11.959 156 HB2 ALA 21 HB2 ALA 21 -14.746 -8.077 -10.718 157 HB3 ALA 21 HB3 ALA 21 -13.285 -7.147 -10.382 158 H LEU 22 HN LEU 22 -11.709 -8.254 -8.485 159 HA LEU 22 HA LEU 22 -9.228 -7.771 -9.763 160 HB2 LEU 22 HB2 LEU 22 -10.215 -7.728 -6.947 161 HB3 LEU 22 HB3 LEU 22 -8.484 -7.720 -7.225 162 HG LEU 22 HG LEU 22 -10.262 -5.706 -8.565 163 HD11 LEU 22 HD11 LEU 22 -10.582 -5.762 -6.038 164 HD12 LEU 22 HD12 LEU 22 -8.904 -5.229 -5.932 165 HD13 LEU 22 HD13 LEU 22 -10.098 -4.225 -6.755 166 HD21 LEU 22 HD21 LEU 22 -7.345 -5.828 -7.829 167 HD22 LEU 22 HD22 LEU 22 -8.048 -5.818 -9.445 168 HD23 LEU 22 HD23 LEU 22 -8.143 -4.377 -8.431 169 H GLU 23 HN GLU 23 -10.302 -10.272 -7.478 170 HA GLU 23 HA GLU 23 -7.757 -11.580 -7.525 171 HB2 GLU 23 HB2 GLU 23 -10.355 -12.001 -6.172 172 HB3 GLU 23 HB3 GLU 23 -9.324 -13.416 -6.369 173 HG2 GLU 23 HG2 GLU 23 -7.605 -12.488 -5.106 174 HG3 GLU 23 HG3 GLU 23 -8.247 -10.859 -5.251 175 H LYS 24 HN LYS 24 -10.360 -11.587 -9.643 176 HA LYS 24 HA LYS 24 -9.928 -14.209 -10.726 177 HB2 LYS 24 HB2 LYS 24 -11.636 -11.931 -11.280 178 HB3 LYS 24 HB3 LYS 24 -10.957 -12.587 -12.761 179 HG2 LYS 24 HG2 LYS 24 -12.065 -14.574 -12.562 180 HG3 LYS 24 HG3 LYS 24 -12.149 -14.475 -10.802 181 HD2 LYS 24 HD2 LYS 24 -14.335 -14.031 -11.317 182 HD3 LYS 24 HD3 LYS 24 -13.684 -12.390 -11.338 183 HE2 LYS 24 HE2 LYS 24 -13.295 -13.534 -13.910 184 HE3 LYS 24 HE3 LYS 24 -14.966 -13.825 -13.432 185 HZ1 LYS 24 HZ1 LYS 24 -15.204 -11.455 -12.985 186 HZ2 LYS 24 HZ2 LYS 24 -14.744 -11.731 -14.595 187 HZ3 LYS 24 HZ3 LYS 24 -13.601 -11.189 -13.469 188 H VAL 25 HN VAL 25 -8.344 -11.189 -10.882 189 HA VAL 25 HA VAL 25 -6.910 -11.753 -13.339 190 HB VAL 25 HB VAL 25 -6.671 -9.536 -11.299 191 HG11 VAL 25 HG11 VAL 25 -5.349 -8.563 -13.428 192 HG12 VAL 25 HG12 VAL 25 -4.556 -9.377 -12.078 193 HG13 VAL 25 HG13 VAL 25 -4.918 -10.269 -13.556 194 HG21 VAL 25 HG21 VAL 25 -8.125 -9.884 -13.846 195 HG22 VAL 25 HG22 VAL 25 -8.529 -8.921 -12.425 196 HG23 VAL 25 HG23 VAL 25 -7.350 -8.320 -13.590 197 HA PRO 26 HA PRO 26 -4.002 -14.371 -11.241 198 HB2 PRO 26 HB2 PRO 26 -2.066 -14.358 -13.188 199 HB3 PRO 26 HB3 PRO 26 -3.515 -15.365 -13.234 200 HG2 PRO 26 HG2 PRO 26 -2.979 -12.754 -14.587 201 HG3 PRO 26 HG3 PRO 26 -3.786 -14.199 -15.222 202 HD2 PRO 26 HD2 PRO 26 -5.180 -12.057 -14.394 203 HD3 PRO 26 HD3 PRO 26 -5.780 -13.709 -14.143 204 H GLY 27 HN GLY 27 -3.297 -11.136 -12.232 205 HA2 GLY 27 HA1 GLY 27 -0.648 -11.054 -11.108 206 HA3 GLY 27 HA2 GLY 27 -1.585 -9.676 -11.658 207 H VAL 28 HN VAL 28 -3.795 -10.903 -9.823 208 HA VAL 28 HA VAL 28 -2.936 -9.422 -7.452 209 HB VAL 28 HB VAL 28 -5.658 -10.493 -8.227 210 HG11 VAL 28 HG11 VAL 28 -5.391 -10.384 -5.800 211 HG12 VAL 28 HG12 VAL 28 -4.870 -8.703 -5.926 212 HG13 VAL 28 HG13 VAL 28 -6.518 -9.152 -6.368 213 HG21 VAL 28 HG21 VAL 28 -5.213 -7.592 -7.998 214 HG22 VAL 28 HG22 VAL 28 -4.387 -8.382 -9.342 215 HG23 VAL 28 HG23 VAL 28 -6.137 -8.513 -9.184 216 H GLN 29 HN GLN 29 -2.305 -10.438 -5.671 217 HA GLN 29 HA GLN 29 -2.495 -13.332 -5.546 218 HB2 GLN 29 HB2 GLN 29 -0.516 -11.669 -4.821 219 HB3 GLN 29 HB3 GLN 29 -1.363 -11.781 -3.283 220 HG2 GLN 29 HG2 GLN 29 -0.904 -14.017 -3.039 221 HG3 GLN 29 HG3 GLN 29 -0.690 -14.273 -4.768 222 HE21 GLN 29 HE21 GLN 29 0.905 -14.317 -1.994 223 HE22 GLN 29 HE22 GLN 29 2.481 -13.792 -2.507 224 H SER 30 HN SER 30 -3.486 -10.529 -3.614 225 HA SER 30 HA SER 30 -5.848 -11.946 -2.717 226 HB2 SER 30 HB2 SER 30 -4.175 -10.758 -0.528 227 HB3 SER 30 HB3 SER 30 -5.393 -12.029 -0.435 228 HG SER 30 HG SER 30 -3.744 -13.234 -1.800 229 H ALA 31 HN ALA 31 -7.505 -10.547 -2.494 230 HA ALA 31 HA ALA 31 -6.833 -7.677 -2.318 231 HB1 ALA 31 HB1 ALA 31 -7.572 -7.882 -4.511 232 HB2 ALA 31 HB2 ALA 31 -8.797 -9.081 -4.090 233 HB3 ALA 31 HB3 ALA 31 -9.028 -7.391 -3.644 234 H LEU 32 HN LEU 32 -7.565 -6.787 -0.521 235 HA LEU 32 HA LEU 32 -10.051 -7.834 0.647 236 HB2 LEU 32 HB2 LEU 32 -8.783 -8.263 2.444 237 HB3 LEU 32 HB3 LEU 32 -7.434 -7.342 1.814 238 HG LEU 32 HG LEU 32 -9.087 -5.340 2.615 239 HD11 LEU 32 HD11 LEU 32 -9.291 -7.168 4.938 240 HD12 LEU 32 HD12 LEU 32 -10.344 -5.844 4.439 241 HD13 LEU 32 HD13 LEU 32 -10.441 -7.404 3.621 242 HD21 LEU 32 HD21 LEU 32 -6.589 -6.142 3.162 243 HD22 LEU 32 HD22 LEU 32 -7.402 -4.847 4.041 244 HD23 LEU 32 HD23 LEU 32 -7.350 -6.475 4.718 245 H VAL 33 HN VAL 33 -11.622 -6.462 0.151 246 HA VAL 33 HA VAL 33 -11.009 -3.620 -0.134 247 HB VAL 33 HB VAL 33 -13.678 -4.875 -0.693 248 HG11 VAL 33 HG11 VAL 33 -13.921 -2.578 -0.765 249 HG12 VAL 33 HG12 VAL 33 -12.303 -2.325 -1.421 250 HG13 VAL 33 HG13 VAL 33 -13.582 -2.968 -2.451 251 HG21 VAL 33 HG21 VAL 33 -11.449 -4.593 -2.697 252 HG22 VAL 33 HG22 VAL 33 -11.895 -6.111 -1.919 253 HG23 VAL 33 HG23 VAL 33 -13.048 -5.284 -2.967 254 H SER 34 HN SER 34 -11.716 -2.110 1.224 255 HA SER 34 HA SER 34 -13.069 -3.032 3.646 256 HB2 SER 34 HB2 SER 34 -11.863 -0.307 3.328 257 HB3 SER 34 HB3 SER 34 -12.016 -1.296 4.782 258 HG SER 34 HG SER 34 -10.524 -2.547 2.902 259 H TYR 35 HN TYR 35 -15.182 -2.939 3.454 260 HA TYR 35 HA TYR 35 -16.672 -1.234 1.835 261 HB2 TYR 35 HB2 TYR 35 -18.386 -2.488 2.493 262 HB3 TYR 35 HB3 TYR 35 -17.192 -3.440 3.340 263 HD1 TYR 35 HD1 TYR 35 -19.622 -0.667 3.786 264 HD2 TYR 35 HD2 TYR 35 -17.331 -3.714 5.682 265 HE1 TYR 35 HE1 TYR 35 -20.810 -0.243 5.894 266 HE2 TYR 35 HE2 TYR 35 -18.521 -3.300 7.793 267 HH TYR 35 HH TYR 35 -20.097 -2.130 8.828 268 HA PRO 36 HA PRO 36 -17.421 1.689 5.518 269 HB2 PRO 36 HB2 PRO 36 -15.935 1.604 7.733 270 HB3 PRO 36 HB3 PRO 36 -17.272 0.473 7.490 271 HG2 PRO 36 HG2 PRO 36 -14.335 0.039 7.142 272 HG3 PRO 36 HG3 PRO 36 -15.549 -1.037 7.858 273 HD2 PRO 36 HD2 PRO 36 -14.589 -1.235 5.278 274 HD3 PRO 36 HD3 PRO 36 -16.143 -1.890 5.830 275 H LYS 37 HN LYS 37 -14.411 1.000 4.184 276 HA LYS 37 HA LYS 37 -13.381 3.692 4.753 277 HB2 LYS 37 HB2 LYS 37 -12.131 1.184 4.731 278 HB3 LYS 37 HB3 LYS 37 -11.570 1.988 3.272 279 HG2 LYS 37 HG2 LYS 37 -10.756 3.858 4.559 280 HG3 LYS 37 HG3 LYS 37 -11.422 3.167 6.039 281 HD2 LYS 37 HD2 LYS 37 -9.642 1.372 4.555 282 HD3 LYS 37 HD3 LYS 37 -8.861 2.828 5.174 283 HE2 LYS 37 HE2 LYS 37 -10.455 1.942 7.269 284 HE3 LYS 37 HE3 LYS 37 -9.770 0.471 6.583 285 HZ1 LYS 37 HZ1 LYS 37 -8.427 2.695 7.926 286 HZ2 LYS 37 HZ2 LYS 37 -7.589 1.919 6.673 287 HZ3 LYS 37 HZ3 LYS 37 -8.122 1.030 8.016 288 H GLY 38 HN GLY 38 -14.527 1.561 2.272 289 HA2 GLY 38 HA1 GLY 38 -15.217 2.045 0.121 290 HA3 GLY 38 HA2 GLY 38 -14.731 3.717 0.378 291 H THR 39 HN THR 39 -12.469 1.212 1.073 292 HA THR 39 HA THR 39 -11.018 1.858 -1.412 293 HB THR 39 HB THR 39 -9.028 1.422 0.478 294 HG1 THR 39 HG1 THR 39 -10.712 3.395 1.597 295 HG21 THR 39 HG21 THR 39 -8.303 3.526 -0.116 296 HG22 THR 39 HG22 THR 39 -9.930 4.208 -0.114 297 HG23 THR 39 HG23 THR 39 -9.405 3.180 -1.449 298 H ALA 40 HN ALA 40 -9.578 0.273 -2.165 299 HA ALA 40 HA ALA 40 -10.101 -2.414 -1.075 300 HB1 ALA 40 HB1 ALA 40 -9.396 -3.115 -3.465 301 HB2 ALA 40 HB2 ALA 40 -11.011 -2.455 -3.210 302 HB3 ALA 40 HB3 ALA 40 -9.739 -1.435 -3.881 303 H GLN 41 HN GLN 41 -8.412 -3.149 0.031 304 HA GLN 41 HA GLN 41 -5.722 -2.247 -0.707 305 HB2 GLN 41 HB2 GLN 41 -7.010 -2.864 1.771 306 HB3 GLN 41 HB3 GLN 41 -5.655 -3.963 1.555 307 HG2 GLN 41 HG2 GLN 41 -4.133 -2.121 1.296 308 HG3 GLN 41 HG3 GLN 41 -5.467 -0.968 1.341 309 HE21 GLN 41 HE21 GLN 41 -4.233 -3.672 3.282 310 HE22 GLN 41 HE22 GLN 41 -4.384 -2.868 4.807 311 H LEU 42 HN LEU 42 -4.885 -3.456 -2.280 312 HA LEU 42 HA LEU 42 -5.358 -6.356 -2.170 313 HB2 LEU 42 HB2 LEU 42 -5.312 -6.378 -4.610 314 HB3 LEU 42 HB3 LEU 42 -6.604 -5.367 -3.995 315 HG LEU 42 HG LEU 42 -4.129 -3.897 -4.553 316 HD11 LEU 42 HD11 LEU 42 -4.320 -3.970 -6.953 317 HD12 LEU 42 HD12 LEU 42 -4.046 -5.600 -6.336 318 HD13 LEU 42 HD13 LEU 42 -5.661 -5.109 -6.846 319 HD21 LEU 42 HD21 LEU 42 -6.423 -2.977 -3.995 320 HD22 LEU 42 HD22 LEU 42 -5.622 -2.280 -5.404 321 HD23 LEU 42 HD23 LEU 42 -6.908 -3.468 -5.618 322 H ALA 43 HN ALA 43 -3.681 -7.675 -2.330 323 HA ALA 43 HA ALA 43 -1.013 -6.510 -2.635 324 HB1 ALA 43 HB1 ALA 43 -1.343 -9.393 -2.041 325 HB2 ALA 43 HB2 ALA 43 -0.212 -8.219 -1.369 326 HB3 ALA 43 HB3 ALA 43 -1.881 -8.259 -0.800 327 H ILE 44 HN ILE 44 -0.354 -6.391 -4.662 328 HA ILE 44 HA ILE 44 -1.168 -8.481 -6.560 329 HB ILE 44 HB ILE 44 -0.036 -6.599 -8.142 330 HG12 ILE 44 HG12 ILE 44 -1.615 -4.794 -6.419 331 HG13 ILE 44 HG13 ILE 44 -0.043 -5.260 -5.776 332 HG21 ILE 44 HG21 ILE 44 -2.056 -7.175 -8.926 333 HG22 ILE 44 HG22 ILE 44 -2.767 -7.276 -7.314 334 HG23 ILE 44 HG23 ILE 44 -2.591 -5.709 -8.103 335 HD11 ILE 44 HD11 ILE 44 0.496 -4.598 -8.397 336 HD12 ILE 44 HD12 ILE 44 -0.712 -3.413 -7.900 337 HD13 ILE 44 HD13 ILE 44 0.781 -3.590 -6.978 338 H VAL 45 HN VAL 45 0.443 -9.053 -8.233 339 HA VAL 45 HA VAL 45 3.071 -9.459 -7.097 340 HB VAL 45 HB VAL 45 2.065 -10.109 -9.879 341 HG11 VAL 45 HG11 VAL 45 4.657 -10.375 -8.575 342 HG12 VAL 45 HG12 VAL 45 4.057 -11.894 -9.239 343 HG13 VAL 45 HG13 VAL 45 4.232 -10.483 -10.283 344 HG21 VAL 45 HG21 VAL 45 0.743 -11.495 -8.647 345 HG22 VAL 45 HG22 VAL 45 2.195 -12.494 -8.719 346 HG23 VAL 45 HG23 VAL 45 1.858 -11.529 -7.282 347 HA PRO 46 HA PRO 46 4.698 -5.536 -8.454 348 HB2 PRO 46 HB2 PRO 46 7.223 -7.124 -8.475 349 HB3 PRO 46 HB3 PRO 46 6.883 -5.558 -7.728 350 HG2 PRO 46 HG2 PRO 46 7.022 -7.750 -6.235 351 HG3 PRO 46 HG3 PRO 46 5.793 -6.512 -5.909 352 HD2 PRO 46 HD2 PRO 46 5.506 -9.175 -7.228 353 HD3 PRO 46 HD3 PRO 46 4.388 -8.325 -6.144 354 H GLY 47 HN GLY 47 4.237 -5.014 -10.482 355 HA2 GLY 47 HA1 GLY 47 5.489 -4.991 -12.718 356 HA3 GLY 47 HA2 GLY 47 5.243 -6.733 -12.656 357 H THR 48 HN THR 48 2.626 -6.600 -11.475 358 HA THR 48 HA THR 48 1.039 -6.239 -13.809 359 HB THR 48 HB THR 48 -0.302 -6.333 -11.163 360 HG1 THR 48 HG1 THR 48 1.298 -7.745 -10.630 361 HG21 THR 48 HG21 THR 48 -1.385 -6.579 -13.457 362 HG22 THR 48 HG22 THR 48 -1.779 -7.814 -12.262 363 HG23 THR 48 HG23 THR 48 -0.610 -8.160 -13.536 364 H SER 49 HN SER 49 -0.134 -4.546 -14.472 365 HA SER 49 HA SER 49 0.492 -2.020 -13.337 366 HB2 SER 49 HB2 SER 49 -1.566 -1.733 -15.253 367 HB3 SER 49 HB3 SER 49 0.163 -1.465 -15.477 368 HG SER 49 HG SER 49 -0.485 -3.001 -16.955 369 HA PRO 50 HA PRO 50 -3.051 -2.043 -10.612 370 HB2 PRO 50 HB2 PRO 50 -2.111 0.552 -9.682 371 HB3 PRO 50 HB3 PRO 50 -2.168 -0.981 -8.810 372 HG2 PRO 50 HG2 PRO 50 0.154 0.203 -9.582 373 HG3 PRO 50 HG3 PRO 50 -0.030 -1.552 -9.413 374 HD2 PRO 50 HD2 PRO 50 -0.075 0.132 -11.890 375 HD3 PRO 50 HD3 PRO 50 0.675 -1.456 -11.618 376 H ASP 51 HN ASP 51 -2.117 0.481 -12.818 377 HA ASP 51 HA ASP 51 -4.523 2.007 -12.532 378 HB2 ASP 51 HB2 ASP 51 -2.110 2.512 -13.707 379 HB3 ASP 51 HB3 ASP 51 -3.097 2.144 -15.118 380 H ALA 52 HN ALA 52 -3.586 -0.879 -14.050 381 HA ALA 52 HA ALA 52 -5.563 -0.851 -16.135 382 HB1 ALA 52 HB1 ALA 52 -3.532 -2.119 -16.481 383 HB2 ALA 52 HB2 ALA 52 -3.866 -3.096 -15.051 384 HB3 ALA 52 HB3 ALA 52 -4.913 -3.216 -16.466 385 H LEU 53 HN LEU 53 -5.220 -2.211 -12.927 386 HA LEU 53 HA LEU 53 -7.679 -3.623 -12.907 387 HB2 LEU 53 HB2 LEU 53 -6.285 -2.462 -10.500 388 HB3 LEU 53 HB3 LEU 53 -7.341 -3.862 -10.556 389 HG LEU 53 HG LEU 53 -4.765 -3.881 -12.084 390 HD11 LEU 53 HD11 LEU 53 -3.506 -3.824 -10.269 391 HD12 LEU 53 HD12 LEU 53 -4.936 -3.513 -9.284 392 HD13 LEU 53 HD13 LEU 53 -4.413 -5.171 -9.579 393 HD21 LEU 53 HD21 LEU 53 -5.334 -5.989 -12.469 394 HD22 LEU 53 HD22 LEU 53 -5.488 -6.305 -10.741 395 HD23 LEU 53 HD23 LEU 53 -6.869 -5.694 -11.652 396 H THR 54 HN THR 54 -6.674 -0.418 -11.835 397 HA THR 54 HA THR 54 -9.099 0.572 -10.913 398 HB THR 54 HB THR 54 -7.099 2.178 -12.510 399 HG1 THR 54 HG1 THR 54 -5.885 1.137 -10.948 400 HG21 THR 54 HG21 THR 54 -9.135 2.836 -10.402 401 HG22 THR 54 HG22 THR 54 -8.942 3.537 -12.010 402 HG23 THR 54 HG23 THR 54 -7.773 3.902 -10.740 403 H ALA 55 HN ALA 55 -7.744 0.648 -14.210 404 HA ALA 55 HA ALA 55 -9.996 1.886 -15.403 405 HB1 ALA 55 HB1 ALA 55 -7.543 1.534 -16.275 406 HB2 ALA 55 HB2 ALA 55 -8.238 0.078 -16.987 407 HB3 ALA 55 HB3 ALA 55 -8.894 1.662 -17.403 408 H ALA 56 HN ALA 56 -9.175 -1.458 -14.742 409 HA ALA 56 HA ALA 56 -11.231 -2.651 -16.255 410 HB1 ALA 56 HB1 ALA 56 -9.696 -3.538 -13.838 411 HB2 ALA 56 HB2 ALA 56 -10.997 -4.521 -14.509 412 HB3 ALA 56 HB3 ALA 56 -9.590 -4.126 -15.498 413 H VAL 57 HN VAL 57 -11.151 -1.566 -12.863 414 HA VAL 57 HA VAL 57 -13.833 -2.295 -12.315 415 HB VAL 57 HB VAL 57 -12.193 -0.190 -10.927 416 HG11 VAL 57 HG11 VAL 57 -14.860 -1.311 -10.468 417 HG12 VAL 57 HG12 VAL 57 -13.817 -1.301 -9.044 418 HG13 VAL 57 HG13 VAL 57 -14.152 0.203 -9.904 419 HG21 VAL 57 HG21 VAL 57 -11.276 -2.607 -11.110 420 HG22 VAL 57 HG22 VAL 57 -11.292 -1.810 -9.536 421 HG23 VAL 57 HG23 VAL 57 -12.539 -2.989 -9.940 422 H ALA 58 HN ALA 58 -12.341 0.812 -13.244 423 HA ALA 58 HA ALA 58 -14.702 2.315 -13.332 424 HB1 ALA 58 HB1 ALA 58 -12.417 2.742 -15.226 425 HB2 ALA 58 HB2 ALA 58 -13.487 3.942 -14.500 426 HB3 ALA 58 HB3 ALA 58 -12.285 3.115 -13.508 427 H GLY 59 HN GLY 59 -13.179 0.264 -15.739 428 HA2 GLY 59 HA1 GLY 59 -14.999 0.883 -17.846 429 HA3 GLY 59 HA2 GLY 59 -13.878 -0.470 -17.803 430 H LEU 60 HN LEU 60 -15.266 -1.043 -15.068 431 HA LEU 60 HA LEU 60 -17.226 -2.858 -16.156 432 HB2 LEU 60 HB2 LEU 60 -15.703 -2.604 -13.713 433 HB3 LEU 60 HB3 LEU 60 -17.383 -2.958 -13.374 434 HG LEU 60 HG LEU 60 -15.917 -4.637 -15.370 435 HD11 LEU 60 HD11 LEU 60 -15.138 -6.107 -13.609 436 HD12 LEU 60 HD12 LEU 60 -14.432 -4.501 -13.423 437 HD13 LEU 60 HD13 LEU 60 -15.766 -5.005 -12.385 438 HD21 LEU 60 HD21 LEU 60 -17.451 -6.298 -13.948 439 HD22 LEU 60 HD22 LEU 60 -18.347 -4.800 -13.693 440 HD23 LEU 60 HD23 LEU 60 -18.055 -5.385 -15.331 441 H GLY 61 HN GLY 61 -17.398 0.234 -15.768 442 HA2 GLY 61 HA1 GLY 61 -19.425 1.447 -15.969 443 HA3 GLY 61 HA2 GLY 61 -20.248 0.171 -15.085 444 H TYR 62 HN TYR 62 -17.799 0.332 -13.192 445 HA TYR 62 HA TYR 62 -19.091 2.221 -11.398 446 HB2 TYR 62 HB2 TYR 62 -16.640 0.710 -10.609 447 HB3 TYR 62 HB3 TYR 62 -18.050 1.128 -9.648 448 HD1 TYR 62 HD2 TYR 62 -20.275 -0.003 -11.076 449 HD2 TYR 62 HD1 TYR 62 -16.361 -1.593 -10.570 450 HE1 TYR 62 HE2 TYR 62 -21.162 -2.274 -11.392 451 HE2 TYR 62 HE1 TYR 62 -17.239 -3.866 -10.889 452 HH TYR 62 HH TYR 62 -19.384 -5.060 -10.649 453 H LYS 63 HN LYS 63 -17.278 3.317 -9.873 454 HA LYS 63 HA LYS 63 -15.440 4.695 -11.709 455 HB2 LYS 63 HB2 LYS 63 -17.469 5.749 -9.960 456 HB3 LYS 63 HB3 LYS 63 -15.889 6.333 -9.453 457 HG2 LYS 63 HG2 LYS 63 -16.152 6.509 -12.309 458 HG3 LYS 63 HG3 LYS 63 -17.493 7.328 -11.510 459 HD2 LYS 63 HD2 LYS 63 -15.946 9.023 -11.594 460 HD3 LYS 63 HD3 LYS 63 -15.583 8.323 -10.013 461 HE2 LYS 63 HE2 LYS 63 -13.536 7.703 -10.655 462 HE3 LYS 63 HE3 LYS 63 -14.138 7.007 -12.160 463 HZ1 LYS 63 HZ1 LYS 63 -13.954 9.034 -13.259 464 HZ2 LYS 63 HZ2 LYS 63 -12.541 8.959 -12.323 465 HZ3 LYS 63 HZ3 LYS 63 -13.842 9.928 -11.824 466 H ALA 64 HN ALA 64 -13.536 3.693 -11.312 467 HA ALA 64 HA ALA 64 -12.792 3.283 -8.503 468 HB1 ALA 64 HB1 ALA 64 -12.479 1.693 -10.824 469 HB2 ALA 64 HB2 ALA 64 -10.870 2.163 -10.271 470 HB3 ALA 64 HB3 ALA 64 -11.974 1.337 -9.172 471 H THR 65 HN THR 65 -10.936 4.063 -7.666 472 HA THR 65 HA THR 65 -9.124 5.597 -9.374 473 HB THR 65 HB THR 65 -9.213 6.937 -6.871 474 HG1 THR 65 HG1 THR 65 -11.788 6.784 -8.108 475 HG21 THR 65 HG21 THR 65 -9.631 8.871 -8.193 476 HG22 THR 65 HG22 THR 65 -10.351 7.910 -9.485 477 HG23 THR 65 HG23 THR 65 -8.619 7.804 -9.168 478 H LEU 66 HN LEU 66 -7.534 6.436 -7.065 479 HA LEU 66 HA LEU 66 -6.938 4.008 -5.622 480 HB2 LEU 66 HB2 LEU 66 -4.458 4.246 -6.335 481 HB3 LEU 66 HB3 LEU 66 -5.576 3.376 -7.366 482 HG LEU 66 HG LEU 66 -5.691 5.994 -8.303 483 HD11 LEU 66 HD11 LEU 66 -3.504 6.793 -8.552 484 HD12 LEU 66 HD12 LEU 66 -3.605 6.311 -6.858 485 HD13 LEU 66 HD13 LEU 66 -2.793 5.267 -8.025 486 HD21 LEU 66 HD21 LEU 66 -3.880 4.623 -9.916 487 HD22 LEU 66 HD22 LEU 66 -4.886 3.371 -9.188 488 HD23 LEU 66 HD23 LEU 66 -5.633 4.684 -10.098 489 H ALA 67 HN ALA 67 -6.066 4.393 -3.696 490 HA ALA 67 HA ALA 67 -5.127 7.137 -3.152 491 HB1 ALA 67 HB1 ALA 67 -5.687 6.524 -0.733 492 HB2 ALA 67 HB2 ALA 67 -7.050 6.792 -1.818 493 HB3 ALA 67 HB3 ALA 67 -6.563 5.148 -1.403 494 H ASP 68 HN ASP 68 -3.426 5.489 -4.338 495 HA ASP 68 HA ASP 68 -2.094 3.653 -2.678 496 HB2 ASP 68 HB2 ASP 68 -2.186 3.574 -5.183 497 HB3 ASP 68 HB3 ASP 68 -1.023 4.896 -5.201 498 H ALA 69 HN ALA 69 -1.250 4.465 -0.877 499 HA ALA 69 HA ALA 69 1.221 5.926 -1.123 500 HB1 ALA 69 HB1 ALA 69 -0.935 6.998 0.697 501 HB2 ALA 69 HB2 ALA 69 0.671 7.674 0.429 502 HB3 ALA 69 HB3 ALA 69 -0.526 7.705 -0.866 Start of MODEL 3 1 H1 MET 1 H1 MET 1 2.749 -2.203 -1.550 2 H2 MET 1 H2 MET 1 2.106 -0.719 -2.068 3 H3 MET 1 H3 MET 1 2.471 -1.929 -3.202 4 HA MET 1 HA MET 1 0.599 -3.055 -2.850 5 HB2 MET 1 HB2 MET 1 1.352 -3.580 -0.508 6 HB3 MET 1 HB3 MET 1 0.554 -2.106 0.023 7 HG2 MET 1 HG2 MET 1 -1.564 -3.076 -1.003 8 HG3 MET 1 HG3 MET 1 -0.684 -4.601 -1.081 9 HE1 MET 1 HE1 MET 1 -2.333 -5.978 1.793 10 HE2 MET 1 HE2 MET 1 -3.396 -4.852 0.953 11 HE3 MET 1 HE3 MET 1 -2.232 -5.810 0.039 12 H THR 2 HN THR 2 -0.339 -1.643 -4.282 13 HA THR 2 HA THR 2 -1.016 1.019 -3.741 14 HB THR 2 HB THR 2 -2.544 -0.560 -5.764 15 HG1 THR 2 HG1 THR 2 0.165 0.225 -6.150 16 HG21 THR 2 HG21 THR 2 -1.065 1.972 -6.306 17 HG22 THR 2 HG22 THR 2 -2.513 2.048 -5.302 18 HG23 THR 2 HG23 THR 2 -2.613 1.410 -6.942 19 H HIS 3 HN HIS 3 -2.594 1.882 -2.594 20 HA HIS 3 HA HIS 3 -4.904 0.266 -1.830 21 HB2 HIS 3 HB2 HIS 3 -4.260 3.110 -1.055 22 HB3 HIS 3 HB3 HIS 3 -5.493 2.092 -0.342 23 HD1 HIS 3 HD1 HIS 3 -1.692 1.881 -0.778 24 HD2 HIS 3 HD2 HIS 3 -4.680 1.087 2.012 25 HE1 HIS 3 HE1 HIS 3 -0.507 1.048 1.278 26 HE2 HIS 3 HE2 HIS 3 -2.339 0.402 2.883 27 H LEU 4 HN LEU 4 -6.752 0.399 -2.821 28 HA LEU 4 HA LEU 4 -7.086 2.419 -4.921 29 HB2 LEU 4 HB2 LEU 4 -7.222 -0.273 -5.122 30 HB3 LEU 4 HB3 LEU 4 -8.904 0.089 -4.801 31 HG LEU 4 HG LEU 4 -8.197 1.888 -6.802 32 HD11 LEU 4 HD11 LEU 4 -7.447 0.008 -8.503 33 HD12 LEU 4 HD12 LEU 4 -6.272 0.962 -7.596 34 HD13 LEU 4 HD13 LEU 4 -6.699 -0.662 -7.053 35 HD21 LEU 4 HD21 LEU 4 -10.331 0.908 -6.753 36 HD22 LEU 4 HD22 LEU 4 -9.573 0.282 -8.215 37 HD23 LEU 4 HD23 LEU 4 -9.674 -0.729 -6.773 38 H LYS 5 HN LYS 5 -9.114 3.418 -5.220 39 HA LYS 5 HA LYS 5 -10.784 3.465 -2.794 40 HB2 LYS 5 HB2 LYS 5 -9.883 5.608 -4.657 41 HB3 LYS 5 HB3 LYS 5 -11.454 5.768 -3.901 42 HG2 LYS 5 HG2 LYS 5 -8.793 5.555 -2.517 43 HG3 LYS 5 HG3 LYS 5 -9.855 6.963 -2.593 44 HD2 LYS 5 HD2 LYS 5 -10.991 4.454 -1.491 45 HD3 LYS 5 HD3 LYS 5 -9.810 5.316 -0.500 46 HE2 LYS 5 HE2 LYS 5 -12.013 6.875 -1.747 47 HE3 LYS 5 HE3 LYS 5 -12.395 5.851 -0.366 48 HZ1 LYS 5 HZ1 LYS 5 -10.301 7.054 0.620 49 HZ2 LYS 5 HZ2 LYS 5 -11.837 7.770 0.689 50 HZ3 LYS 5 HZ3 LYS 5 -10.731 8.254 -0.502 51 H ILE 6 HN ILE 6 -12.797 2.819 -3.005 52 HA ILE 6 HA ILE 6 -13.819 2.121 -5.632 53 HB ILE 6 HB ILE 6 -15.186 1.794 -2.954 54 HG12 ILE 6 HG12 ILE 6 -13.125 0.596 -2.776 55 HG13 ILE 6 HG13 ILE 6 -14.379 -0.595 -3.111 56 HG21 ILE 6 HG21 ILE 6 -15.966 -0.251 -4.646 57 HG22 ILE 6 HG22 ILE 6 -16.902 1.189 -4.242 58 HG23 ILE 6 HG23 ILE 6 -15.902 1.167 -5.693 59 HD11 ILE 6 HD11 ILE 6 -13.623 -0.960 -5.271 60 HD12 ILE 6 HD12 ILE 6 -12.740 0.565 -5.325 61 HD13 ILE 6 HD13 ILE 6 -12.137 -0.770 -4.343 62 H THR 7 HN THR 7 -15.217 3.334 -6.763 63 HA THR 7 HA THR 7 -16.685 5.441 -5.346 64 HB THR 7 HB THR 7 -16.110 6.426 -7.934 65 HG1 THR 7 HG1 THR 7 -14.296 4.847 -7.719 66 HG21 THR 7 HG21 THR 7 -16.385 7.496 -5.543 67 HG22 THR 7 HG22 THR 7 -15.426 8.298 -6.788 68 HG23 THR 7 HG23 THR 7 -14.624 7.364 -5.524 69 H GLY 8 HN GLY 8 -18.666 6.060 -6.285 70 HA2 GLY 8 HA1 GLY 8 -20.475 5.766 -7.791 71 HA3 GLY 8 HA2 GLY 8 -19.668 4.345 -8.446 72 H MET 9 HN MET 9 -19.262 2.632 -6.624 73 HA MET 9 HA MET 9 -21.864 2.068 -5.441 74 HB2 MET 9 HB2 MET 9 -19.357 0.366 -5.408 75 HB3 MET 9 HB3 MET 9 -20.969 -0.135 -4.917 76 HG2 MET 9 HG2 MET 9 -21.741 0.278 -7.246 77 HG3 MET 9 HG3 MET 9 -20.068 0.594 -7.697 78 HE1 MET 9 HE1 MET 9 -22.650 -2.445 -6.728 79 HE2 MET 9 HE2 MET 9 -22.625 -1.486 -8.209 80 HE3 MET 9 HE3 MET 9 -22.080 -3.163 -8.234 81 H THR 10 HN THR 10 -22.204 1.750 -3.227 82 HA THR 10 HA THR 10 -20.553 3.448 -1.588 83 HB THR 10 HB THR 10 -22.786 1.847 -0.427 84 HG1 THR 10 HG1 THR 10 -23.357 4.205 -1.878 85 HG21 THR 10 HG21 THR 10 -22.573 3.368 1.191 86 HG22 THR 10 HG22 THR 10 -22.880 4.670 0.041 87 HG23 THR 10 HG23 THR 10 -21.232 4.099 0.303 88 H CYS 11 HN CYS 11 -21.726 0.075 -1.150 89 HA CYS 11 HA CYS 11 -19.282 -0.981 -0.292 90 HB2 CYS 11 HB2 CYS 11 -19.761 -1.130 2.152 91 HB3 CYS 11 HB3 CYS 11 -19.362 0.485 1.585 92 HG CYS 11 HG CYS 11 -22.613 0.161 1.458 93 H ASP 12 HN ASP 12 -19.466 -3.107 0.637 94 HA ASP 12 HA ASP 12 -20.301 -5.177 0.941 95 HB2 ASP 12 HB2 ASP 12 -21.642 -4.100 2.678 96 HB3 ASP 12 HB3 ASP 12 -22.890 -3.717 1.496 97 H SER 13 HN SER 13 -20.567 -6.654 -0.529 98 HA SER 13 HA SER 13 -21.196 -7.771 -2.400 99 HB2 SER 13 HB2 SER 13 -23.582 -5.914 -2.585 100 HB3 SER 13 HB3 SER 13 -23.397 -7.492 -3.352 101 HG SER 13 HG SER 13 -24.217 -6.867 -0.835 102 H CYS 14 HN CYS 14 -21.759 -4.289 -2.720 103 HA CYS 14 HA CYS 14 -20.809 -3.986 -5.336 104 HB2 CYS 14 HB2 CYS 14 -20.263 -1.922 -3.237 105 HB3 CYS 14 HB3 CYS 14 -20.828 -1.713 -4.884 106 HG CYS 14 HG CYS 14 -22.642 -2.512 -2.110 107 H ALA 15 HN ALA 15 -19.202 -3.860 -2.208 108 HA ALA 15 HA ALA 15 -16.584 -3.431 -3.196 109 HB1 ALA 15 HB1 ALA 15 -17.063 -2.941 -0.900 110 HB2 ALA 15 HB2 ALA 15 -17.560 -4.605 -0.595 111 HB3 ALA 15 HB3 ALA 15 -15.869 -4.240 -0.938 112 H ALA 16 HN ALA 16 -18.564 -6.252 -2.792 113 HA ALA 16 HA ALA 16 -16.443 -8.164 -2.975 114 HB1 ALA 16 HB1 ALA 16 -18.073 -9.432 -2.158 115 HB2 ALA 16 HB2 ALA 16 -19.284 -8.212 -2.548 116 HB3 ALA 16 HB3 ALA 16 -18.824 -9.413 -3.754 117 H HIS 17 HN HIS 17 -18.714 -6.678 -5.203 118 HA HIS 17 HA HIS 17 -18.107 -8.178 -7.493 119 HB2 HIS 17 HB2 HIS 17 -19.504 -5.705 -6.860 120 HB3 HIS 17 HB3 HIS 17 -18.640 -5.586 -8.387 121 HD1 HIS 17 HD1 HIS 17 -20.668 -5.660 -9.904 122 HD2 HIS 17 HD2 HIS 17 -20.461 -8.883 -7.276 123 HE1 HIS 17 HE1 HIS 17 -22.442 -7.274 -10.660 124 HE2 HIS 17 HE2 HIS 17 -22.398 -9.147 -8.974 125 H VAL 18 HN VAL 18 -16.769 -5.123 -6.279 126 HA VAL 18 HA VAL 18 -14.823 -4.794 -8.289 127 HB VAL 18 HB VAL 18 -14.734 -3.822 -5.425 128 HG11 VAL 18 HG11 VAL 18 -12.682 -3.097 -5.915 129 HG12 VAL 18 HG12 VAL 18 -12.844 -3.609 -7.594 130 HG13 VAL 18 HG13 VAL 18 -13.415 -2.016 -7.099 131 HG21 VAL 18 HG21 VAL 18 -16.612 -3.185 -7.286 132 HG22 VAL 18 HG22 VAL 18 -16.099 -2.122 -5.974 133 HG23 VAL 18 HG23 VAL 18 -15.395 -1.943 -7.580 134 H LYS 19 HN LYS 19 -14.695 -6.340 -5.101 135 HA LYS 19 HA LYS 19 -11.997 -7.041 -5.076 136 HB2 LYS 19 HB2 LYS 19 -13.604 -7.259 -3.164 137 HB3 LYS 19 HB3 LYS 19 -14.266 -8.689 -3.947 138 HG2 LYS 19 HG2 LYS 19 -12.290 -9.913 -3.624 139 HG3 LYS 19 HG3 LYS 19 -11.356 -8.466 -3.243 140 HD2 LYS 19 HD2 LYS 19 -11.991 -8.481 -1.090 141 HD3 LYS 19 HD3 LYS 19 -13.659 -8.896 -1.489 142 HE2 LYS 19 HE2 LYS 19 -12.792 -10.721 -0.252 143 HE3 LYS 19 HE3 LYS 19 -12.853 -11.239 -1.936 144 HZ1 LYS 19 HZ1 LYS 19 -10.365 -10.031 -1.000 145 HZ2 LYS 19 HZ2 LYS 19 -10.613 -11.303 -2.098 146 HZ3 LYS 19 HZ3 LYS 19 -10.730 -11.587 -0.431 147 H GLU 20 HN GLU 20 -14.790 -8.824 -6.347 148 HA GLU 20 HA GLU 20 -13.356 -11.073 -7.228 149 HB2 GLU 20 HB2 GLU 20 -16.051 -9.972 -7.576 150 HB3 GLU 20 HB3 GLU 20 -15.486 -10.890 -8.966 151 HG2 GLU 20 HG2 GLU 20 -15.204 -12.059 -6.243 152 HG3 GLU 20 HG3 GLU 20 -16.784 -12.055 -7.025 153 H ALA 21 HN ALA 21 -14.186 -8.037 -8.785 154 HA ALA 21 HA ALA 21 -13.227 -8.619 -11.353 155 HB1 ALA 21 HB1 ALA 21 -14.196 -6.335 -9.959 156 HB2 ALA 21 HB2 ALA 21 -12.705 -5.888 -10.787 157 HB3 ALA 21 HB3 ALA 21 -14.049 -6.582 -11.698 158 H LEU 22 HN LEU 22 -11.629 -7.382 -8.470 159 HA LEU 22 HA LEU 22 -9.099 -6.914 -9.667 160 HB2 LEU 22 HB2 LEU 22 -9.836 -7.439 -6.784 161 HB3 LEU 22 HB3 LEU 22 -8.271 -6.877 -7.331 162 HG LEU 22 HG LEU 22 -10.729 -5.294 -7.977 163 HD11 LEU 22 HD11 LEU 22 -10.681 -5.805 -5.522 164 HD12 LEU 22 HD12 LEU 22 -9.125 -4.978 -5.449 165 HD13 LEU 22 HD13 LEU 22 -10.573 -4.092 -5.927 166 HD21 LEU 22 HD21 LEU 22 -9.187 -3.470 -8.086 167 HD22 LEU 22 HD22 LEU 22 -7.886 -4.468 -7.437 168 HD23 LEU 22 HD23 LEU 22 -8.536 -4.803 -9.041 169 H GLU 23 HN GLU 23 -10.497 -9.602 -7.869 170 HA GLU 23 HA GLU 23 -8.114 -11.181 -7.968 171 HB2 GLU 23 HB2 GLU 23 -10.955 -11.757 -7.175 172 HB3 GLU 23 HB3 GLU 23 -9.721 -13.009 -7.195 173 HG2 GLU 23 HG2 GLU 23 -8.388 -11.695 -5.605 174 HG3 GLU 23 HG3 GLU 23 -9.673 -10.488 -5.556 175 H LYS 24 HN LYS 24 -10.523 -10.485 -10.227 176 HA LYS 24 HA LYS 24 -10.430 -12.928 -11.713 177 HB2 LYS 24 HB2 LYS 24 -11.961 -10.644 -11.812 178 HB3 LYS 24 HB3 LYS 24 -10.937 -10.459 -13.226 179 HG2 LYS 24 HG2 LYS 24 -13.206 -11.608 -13.507 180 HG3 LYS 24 HG3 LYS 24 -11.794 -12.348 -14.256 181 HD2 LYS 24 HD2 LYS 24 -13.021 -14.104 -13.239 182 HD3 LYS 24 HD3 LYS 24 -11.613 -13.812 -12.213 183 HE2 LYS 24 HE2 LYS 24 -13.856 -12.170 -11.417 184 HE3 LYS 24 HE3 LYS 24 -14.291 -13.879 -11.430 185 HZ1 LYS 24 HZ1 LYS 24 -12.033 -14.118 -10.179 186 HZ2 LYS 24 HZ2 LYS 24 -13.430 -13.650 -9.332 187 HZ3 LYS 24 HZ3 LYS 24 -12.290 -12.484 -9.797 188 H VAL 25 HN VAL 25 -8.466 -10.130 -11.395 189 HA VAL 25 HA VAL 25 -6.859 -10.626 -13.734 190 HB VAL 25 HB VAL 25 -6.455 -8.807 -11.352 191 HG11 VAL 25 HG11 VAL 25 -4.375 -9.652 -12.698 192 HG12 VAL 25 HG12 VAL 25 -4.945 -8.507 -13.914 193 HG13 VAL 25 HG13 VAL 25 -4.534 -7.941 -12.294 194 HG21 VAL 25 HG21 VAL 25 -6.767 -7.329 -13.706 195 HG22 VAL 25 HG22 VAL 25 -7.997 -8.592 -13.773 196 HG23 VAL 25 HG23 VAL 25 -7.927 -7.501 -12.389 197 HA PRO 26 HA PRO 26 -4.682 -13.920 -11.741 198 HB2 PRO 26 HB2 PRO 26 -2.765 -13.764 -13.943 199 HB3 PRO 26 HB3 PRO 26 -3.910 -15.046 -13.545 200 HG2 PRO 26 HG2 PRO 26 -4.211 -13.461 -15.705 201 HG3 PRO 26 HG3 PRO 26 -5.592 -14.115 -14.807 202 HD2 PRO 26 HD2 PRO 26 -4.379 -11.378 -14.690 203 HD3 PRO 26 HD3 PRO 26 -6.093 -11.848 -14.699 204 H GLY 27 HN GLY 27 -3.583 -10.823 -11.866 205 HA2 GLY 27 HA1 GLY 27 -0.867 -11.476 -10.958 206 HA3 GLY 27 HA2 GLY 27 -1.442 -9.876 -11.407 207 H VAL 28 HN VAL 28 -3.784 -11.320 -9.566 208 HA VAL 28 HA VAL 28 -3.076 -9.677 -7.278 209 HB VAL 28 HB VAL 28 -5.427 -9.939 -8.400 210 HG11 VAL 28 HG11 VAL 28 -6.868 -11.555 -7.218 211 HG12 VAL 28 HG12 VAL 28 -5.646 -12.327 -8.227 212 HG13 VAL 28 HG13 VAL 28 -5.429 -12.258 -6.478 213 HG21 VAL 28 HG21 VAL 28 -6.125 -8.716 -6.671 214 HG22 VAL 28 HG22 VAL 28 -5.885 -10.040 -5.529 215 HG23 VAL 28 HG23 VAL 28 -4.532 -8.995 -5.969 216 H GLN 29 HN GLN 29 -2.784 -10.425 -5.183 217 HA GLN 29 HA GLN 29 -2.556 -13.340 -4.867 218 HB2 GLN 29 HB2 GLN 29 -0.628 -11.211 -4.261 219 HB3 GLN 29 HB3 GLN 29 -0.880 -12.348 -2.941 220 HG2 GLN 29 HG2 GLN 29 0.077 -12.921 -5.728 221 HG3 GLN 29 HG3 GLN 29 0.925 -13.181 -4.207 222 HE21 GLN 29 HE21 GLN 29 -1.544 -14.363 -6.356 223 HE22 GLN 29 HE22 GLN 29 -1.733 -15.921 -5.614 224 H SER 30 HN SER 30 -3.225 -10.259 -3.250 225 HA SER 30 HA SER 30 -5.280 -11.582 -1.697 226 HB2 SER 30 HB2 SER 30 -4.067 -10.118 0.312 227 HB3 SER 30 HB3 SER 30 -3.979 -11.867 0.122 228 HG SER 30 HG SER 30 -1.989 -10.155 0.063 229 H ALA 31 HN ALA 31 -6.892 -10.320 -2.405 230 HA ALA 31 HA ALA 31 -6.518 -7.401 -2.345 231 HB1 ALA 31 HB1 ALA 31 -7.508 -8.947 -4.346 232 HB2 ALA 31 HB2 ALA 31 -8.991 -8.466 -3.520 233 HB3 ALA 31 HB3 ALA 31 -7.881 -7.237 -4.126 234 H LEU 32 HN LEU 32 -6.945 -6.784 -0.293 235 HA LEU 32 HA LEU 32 -9.396 -7.784 0.969 236 HB2 LEU 32 HB2 LEU 32 -8.299 -6.271 2.899 237 HB3 LEU 32 HB3 LEU 32 -7.933 -7.969 2.678 238 HG LEU 32 HG LEU 32 -6.207 -6.123 1.160 239 HD11 LEU 32 HD11 LEU 32 -6.786 -5.414 3.779 240 HD12 LEU 32 HD12 LEU 32 -5.263 -6.295 3.884 241 HD13 LEU 32 HD13 LEU 32 -5.398 -4.891 2.824 242 HD21 LEU 32 HD21 LEU 32 -4.530 -7.706 2.403 243 HD22 LEU 32 HD22 LEU 32 -5.979 -8.665 2.701 244 HD23 LEU 32 HD23 LEU 32 -5.488 -8.302 1.047 245 H VAL 33 HN VAL 33 -11.129 -6.632 0.563 246 HA VAL 33 HA VAL 33 -10.843 -3.748 0.088 247 HB VAL 33 HB VAL 33 -13.224 -5.486 -0.549 248 HG11 VAL 33 HG11 VAL 33 -12.889 -3.115 -2.154 249 HG12 VAL 33 HG12 VAL 33 -14.266 -3.626 -1.180 250 HG13 VAL 33 HG13 VAL 33 -12.951 -2.713 -0.438 251 HG21 VAL 33 HG21 VAL 33 -12.000 -6.339 -2.207 252 HG22 VAL 33 HG22 VAL 33 -12.051 -4.736 -2.943 253 HG23 VAL 33 HG23 VAL 33 -10.686 -5.197 -1.924 254 H SER 34 HN SER 34 -11.495 -2.388 1.566 255 HA SER 34 HA SER 34 -12.938 -3.355 3.899 256 HB2 SER 34 HB2 SER 34 -12.360 -0.558 4.042 257 HB3 SER 34 HB3 SER 34 -11.628 -1.877 4.960 258 HG SER 34 HG SER 34 -10.132 -2.153 3.278 259 H TYR 35 HN TYR 35 -15.073 -3.469 3.562 260 HA TYR 35 HA TYR 35 -16.449 -1.945 1.684 261 HB2 TYR 35 HB2 TYR 35 -18.198 -3.278 2.123 262 HB3 TYR 35 HB3 TYR 35 -16.990 -4.221 2.959 263 HD1 TYR 35 HD1 TYR 35 -19.743 -1.773 3.476 264 HD2 TYR 35 HD2 TYR 35 -17.190 -4.678 5.249 265 HE1 TYR 35 HE1 TYR 35 -21.123 -1.735 5.514 266 HE2 TYR 35 HE2 TYR 35 -18.553 -4.640 7.292 267 HH TYR 35 HH TYR 35 -21.510 -2.694 7.506 268 HA PRO 36 HA PRO 36 -18.148 0.789 5.264 269 HB2 PRO 36 HB2 PRO 36 -16.064 0.912 7.303 270 HB3 PRO 36 HB3 PRO 36 -17.777 0.527 7.482 271 HG2 PRO 36 HG2 PRO 36 -15.829 -1.320 7.799 272 HG3 PRO 36 HG3 PRO 36 -17.438 -1.724 7.174 273 HD2 PRO 36 HD2 PRO 36 -14.875 -1.298 5.680 274 HD3 PRO 36 HD3 PRO 36 -16.123 -2.539 5.444 275 H LYS 37 HN LYS 37 -14.844 0.708 4.271 276 HA LYS 37 HA LYS 37 -14.641 3.625 4.543 277 HB2 LYS 37 HB2 LYS 37 -12.861 1.769 5.346 278 HB3 LYS 37 HB3 LYS 37 -12.276 2.051 3.711 279 HG2 LYS 37 HG2 LYS 37 -12.617 4.594 4.595 280 HG3 LYS 37 HG3 LYS 37 -12.151 3.763 6.082 281 HD2 LYS 37 HD2 LYS 37 -10.417 2.750 4.181 282 HD3 LYS 37 HD3 LYS 37 -10.553 4.458 3.761 283 HE2 LYS 37 HE2 LYS 37 -8.877 4.612 5.287 284 HE3 LYS 37 HE3 LYS 37 -10.252 4.729 6.383 285 HZ1 LYS 37 HZ1 LYS 37 -9.954 2.108 6.334 286 HZ2 LYS 37 HZ2 LYS 37 -9.122 3.100 7.429 287 HZ3 LYS 37 HZ3 LYS 37 -8.346 2.554 6.023 288 H GLY 38 HN GLY 38 -14.928 1.073 2.263 289 HA2 GLY 38 HA1 GLY 38 -15.230 1.150 -0.024 290 HA3 GLY 38 HA2 GLY 38 -15.118 2.903 0.066 291 H THR 39 HN THR 39 -12.647 0.842 1.374 292 HA THR 39 HA THR 39 -10.818 1.785 -0.728 293 HB THR 39 HB THR 39 -9.157 0.822 1.183 294 HG1 THR 39 HG1 THR 39 -10.668 0.385 2.743 295 HG21 THR 39 HG21 THR 39 -9.381 3.142 0.041 296 HG22 THR 39 HG22 THR 39 -8.588 3.032 1.613 297 HG23 THR 39 HG23 THR 39 -10.258 3.588 1.503 298 H ALA 40 HN ALA 40 -9.401 0.344 -1.706 299 HA ALA 40 HA ALA 40 -9.902 -2.508 -1.163 300 HB1 ALA 40 HB1 ALA 40 -9.099 -1.923 -3.903 301 HB2 ALA 40 HB2 ALA 40 -10.404 -2.943 -3.298 302 HB3 ALA 40 HB3 ALA 40 -10.650 -1.205 -3.466 303 H GLN 41 HN GLN 41 -8.123 -3.368 -0.347 304 HA GLN 41 HA GLN 41 -5.523 -2.255 -1.152 305 HB2 GLN 41 HB2 GLN 41 -6.528 -3.625 1.306 306 HB3 GLN 41 HB3 GLN 41 -4.832 -3.819 0.885 307 HG2 GLN 41 HG2 GLN 41 -4.940 -2.014 2.388 308 HG3 GLN 41 HG3 GLN 41 -4.685 -1.309 0.794 309 HE21 GLN 41 HE21 GLN 41 -7.277 -2.167 3.055 310 HE22 GLN 41 HE22 GLN 41 -8.281 -0.814 2.675 311 H LEU 42 HN LEU 42 -5.280 -3.349 -3.113 312 HA LEU 42 HA LEU 42 -5.413 -6.261 -3.008 313 HB2 LEU 42 HB2 LEU 42 -4.783 -5.831 -5.587 314 HB3 LEU 42 HB3 LEU 42 -6.415 -5.926 -4.980 315 HG LEU 42 HG LEU 42 -6.019 -4.110 -6.627 316 HD11 LEU 42 HD11 LEU 42 -7.107 -2.299 -5.234 317 HD12 LEU 42 HD12 LEU 42 -7.932 -3.854 -5.328 318 HD13 LEU 42 HD13 LEU 42 -7.010 -3.431 -3.886 319 HD21 LEU 42 HD21 LEU 42 -3.768 -3.458 -5.949 320 HD22 LEU 42 HD22 LEU 42 -4.870 -2.083 -5.957 321 HD23 LEU 42 HD23 LEU 42 -4.404 -2.832 -4.429 322 H ALA 43 HN ALA 43 -3.659 -7.252 -2.360 323 HA ALA 43 HA ALA 43 -1.028 -6.190 -2.924 324 HB1 ALA 43 HB1 ALA 43 -2.148 -8.361 -1.287 325 HB2 ALA 43 HB2 ALA 43 -0.578 -8.708 -2.013 326 HB3 ALA 43 HB3 ALA 43 -0.777 -7.295 -0.974 327 H ILE 44 HN ILE 44 -0.590 -6.233 -5.048 328 HA ILE 44 HA ILE 44 -1.157 -8.689 -6.546 329 HB ILE 44 HB ILE 44 -0.621 -7.224 -8.565 330 HG12 ILE 44 HG12 ILE 44 -1.188 -4.940 -6.679 331 HG13 ILE 44 HG13 ILE 44 0.460 -5.443 -7.047 332 HG21 ILE 44 HG21 ILE 44 -2.919 -5.903 -8.061 333 HG22 ILE 44 HG22 ILE 44 -2.846 -7.602 -8.525 334 HG23 ILE 44 HG23 ILE 44 -2.998 -7.157 -6.825 335 HD11 ILE 44 HD11 ILE 44 0.411 -4.154 -8.838 336 HD12 ILE 44 HD12 ILE 44 -0.870 -5.164 -9.510 337 HD13 ILE 44 HD13 ILE 44 -1.280 -3.752 -8.536 338 H VAL 45 HN VAL 45 0.460 -9.360 -8.142 339 HA VAL 45 HA VAL 45 3.097 -9.397 -6.963 340 HB VAL 45 HB VAL 45 2.444 -10.570 -9.654 341 HG11 VAL 45 HG11 VAL 45 4.610 -11.085 -9.350 342 HG12 VAL 45 HG12 VAL 45 4.527 -10.862 -7.602 343 HG13 VAL 45 HG13 VAL 45 3.967 -12.369 -8.326 344 HG21 VAL 45 HG21 VAL 45 1.648 -12.608 -8.580 345 HG22 VAL 45 HG22 VAL 45 1.797 -11.848 -6.995 346 HG23 VAL 45 HG23 VAL 45 0.616 -11.241 -8.156 347 HA PRO 46 HA PRO 46 4.741 -5.840 -9.095 348 HB2 PRO 46 HB2 PRO 46 7.201 -7.528 -8.960 349 HB3 PRO 46 HB3 PRO 46 6.974 -5.831 -8.521 350 HG2 PRO 46 HG2 PRO 46 7.123 -7.701 -6.638 351 HG3 PRO 46 HG3 PRO 46 5.979 -6.354 -6.489 352 HD2 PRO 46 HD2 PRO 46 5.473 -9.202 -7.200 353 HD3 PRO 46 HD3 PRO 46 4.457 -8.067 -6.290 354 H GLY 47 HN GLY 47 4.079 -5.740 -11.126 355 HA2 GLY 47 HA1 GLY 47 5.265 -6.217 -13.413 356 HA3 GLY 47 HA2 GLY 47 4.761 -7.862 -13.020 357 H THR 48 HN THR 48 2.355 -7.310 -11.777 358 HA THR 48 HA THR 48 0.610 -6.743 -13.963 359 HB THR 48 HB THR 48 -0.543 -6.654 -11.255 360 HG1 THR 48 HG1 THR 48 1.053 -8.140 -10.773 361 HG21 THR 48 HG21 THR 48 -2.278 -7.243 -12.522 362 HG22 THR 48 HG22 THR 48 -1.522 -8.823 -12.737 363 HG23 THR 48 HG23 THR 48 -1.227 -7.536 -13.907 364 H SER 49 HN SER 49 -0.371 -4.894 -14.490 365 HA SER 49 HA SER 49 0.555 -2.501 -13.221 366 HB2 SER 49 HB2 SER 49 -1.535 -2.256 -15.267 367 HB3 SER 49 HB3 SER 49 0.068 -1.520 -15.200 368 HG SER 49 HG SER 49 0.476 -2.925 -16.721 369 HA PRO 50 HA PRO 50 -3.060 -2.136 -10.600 370 HB2 PRO 50 HB2 PRO 50 -2.450 0.316 -9.577 371 HB3 PRO 50 HB3 PRO 50 -1.711 -1.183 -9.001 372 HG2 PRO 50 HG2 PRO 50 -0.632 0.849 -10.917 373 HG3 PRO 50 HG3 PRO 50 0.200 -0.010 -9.608 374 HD2 PRO 50 HD2 PRO 50 0.430 -0.738 -12.208 375 HD3 PRO 50 HD3 PRO 50 0.507 -1.910 -10.876 376 H ASP 51 HN ASP 51 -2.044 -0.016 -13.121 377 HA ASP 51 HA ASP 51 -4.359 1.653 -13.152 378 HB2 ASP 51 HB2 ASP 51 -2.862 2.717 -14.458 379 HB3 ASP 51 HB3 ASP 51 -1.949 1.254 -14.759 380 H ALA 52 HN ALA 52 -3.537 -1.486 -14.154 381 HA ALA 52 HA ALA 52 -5.586 -1.785 -16.131 382 HB1 ALA 52 HB1 ALA 52 -4.230 -3.465 -16.680 383 HB2 ALA 52 HB2 ALA 52 -3.392 -3.368 -15.132 384 HB3 ALA 52 HB3 ALA 52 -4.858 -4.340 -15.284 385 H LEU 53 HN LEU 53 -5.211 -2.517 -12.730 386 HA LEU 53 HA LEU 53 -7.690 -3.863 -12.385 387 HB2 LEU 53 HB2 LEU 53 -6.295 -2.228 -10.275 388 HB3 LEU 53 HB3 LEU 53 -7.326 -3.628 -10.054 389 HG LEU 53 HG LEU 53 -4.708 -3.879 -11.493 390 HD11 LEU 53 HD11 LEU 53 -3.470 -3.867 -9.618 391 HD12 LEU 53 HD12 LEU 53 -4.774 -2.860 -8.985 392 HD13 LEU 53 HD13 LEU 53 -4.750 -4.591 -8.644 393 HD21 LEU 53 HD21 LEU 53 -6.647 -5.646 -11.309 394 HD22 LEU 53 HD22 LEU 53 -4.954 -6.128 -11.175 395 HD23 LEU 53 HD23 LEU 53 -5.931 -5.930 -9.721 396 H THR 54 HN THR 54 -6.610 -0.532 -11.999 397 HA THR 54 HA THR 54 -8.990 0.666 -11.217 398 HB THR 54 HB THR 54 -6.908 1.871 -13.059 399 HG1 THR 54 HG1 THR 54 -5.879 1.097 -11.211 400 HG21 THR 54 HG21 THR 54 -8.712 3.372 -12.979 401 HG22 THR 54 HG22 THR 54 -7.607 3.960 -11.737 402 HG23 THR 54 HG23 THR 54 -9.034 3.031 -11.278 403 H ALA 55 HN ALA 55 -7.700 0.173 -14.498 404 HA ALA 55 HA ALA 55 -9.949 1.284 -15.812 405 HB1 ALA 55 HB1 ALA 55 -7.502 0.685 -16.653 406 HB2 ALA 55 HB2 ALA 55 -8.327 -0.774 -17.204 407 HB3 ALA 55 HB3 ALA 55 -8.869 0.809 -17.762 408 H ALA 56 HN ALA 56 -9.201 -1.939 -14.672 409 HA ALA 56 HA ALA 56 -11.298 -3.294 -15.991 410 HB1 ALA 56 HB1 ALA 56 -10.063 -4.932 -15.094 411 HB2 ALA 56 HB2 ALA 56 -9.430 -3.878 -13.829 412 HB3 ALA 56 HB3 ALA 56 -10.998 -4.657 -13.624 413 H VAL 57 HN VAL 57 -11.138 -1.783 -12.769 414 HA VAL 57 HA VAL 57 -13.827 -2.401 -12.097 415 HB VAL 57 HB VAL 57 -12.109 -0.199 -10.975 416 HG11 VAL 57 HG11 VAL 57 -14.817 -0.760 -10.559 417 HG12 VAL 57 HG12 VAL 57 -13.977 -1.385 -9.139 418 HG13 VAL 57 HG13 VAL 57 -13.786 0.307 -9.603 419 HG21 VAL 57 HG21 VAL 57 -11.686 -2.946 -10.861 420 HG22 VAL 57 HG22 VAL 57 -10.940 -1.716 -9.840 421 HG23 VAL 57 HG23 VAL 57 -12.411 -2.533 -9.310 422 H ALA 58 HN ALA 58 -12.295 0.532 -13.444 423 HA ALA 58 HA ALA 58 -14.672 2.042 -13.596 424 HB1 ALA 58 HB1 ALA 58 -13.474 3.494 -15.111 425 HB2 ALA 58 HB2 ALA 58 -12.417 3.016 -13.781 426 HB3 ALA 58 HB3 ALA 58 -12.240 2.258 -15.366 427 H GLY 59 HN GLY 59 -13.223 -0.312 -15.734 428 HA2 GLY 59 HA1 GLY 59 -14.928 0.192 -17.961 429 HA3 GLY 59 HA2 GLY 59 -13.928 -1.232 -17.721 430 H LEU 60 HN LEU 60 -15.354 -1.512 -15.019 431 HA LEU 60 HA LEU 60 -17.468 -3.203 -16.032 432 HB2 LEU 60 HB2 LEU 60 -15.869 -3.023 -13.629 433 HB3 LEU 60 HB3 LEU 60 -17.560 -3.282 -13.260 434 HG LEU 60 HG LEU 60 -15.916 -5.030 -15.097 435 HD11 LEU 60 HD11 LEU 60 -15.232 -6.200 -13.339 436 HD12 LEU 60 HD12 LEU 60 -15.818 -4.883 -12.321 437 HD13 LEU 60 HD13 LEU 60 -16.862 -6.261 -12.667 438 HD21 LEU 60 HD21 LEU 60 -17.924 -6.580 -14.572 439 HD22 LEU 60 HD22 LEU 60 -18.757 -5.082 -14.162 440 HD23 LEU 60 HD23 LEU 60 -18.112 -5.315 -15.786 441 H GLY 61 HN GLY 61 -17.500 -0.140 -15.870 442 HA2 GLY 61 HA1 GLY 61 -19.411 1.203 -16.026 443 HA3 GLY 61 HA2 GLY 61 -20.312 -0.014 -15.131 444 H TYR 62 HN TYR 62 -17.828 0.088 -13.237 445 HA TYR 62 HA TYR 62 -18.998 2.128 -11.520 446 HB2 TYR 62 HB2 TYR 62 -16.694 0.398 -10.688 447 HB3 TYR 62 HB3 TYR 62 -18.001 1.053 -9.711 448 HD1 TYR 62 HD2 TYR 62 -20.423 0.162 -10.841 449 HD2 TYR 62 HD1 TYR 62 -16.708 -1.908 -10.687 450 HE1 TYR 62 HE2 TYR 62 -21.618 -1.983 -10.981 451 HE2 TYR 62 HE1 TYR 62 -17.894 -4.055 -10.827 452 HH TYR 62 HH TYR 62 -20.546 -4.730 -10.084 453 H LYS 63 HN LYS 63 -16.990 3.045 -10.019 454 HA LYS 63 HA LYS 63 -15.099 4.204 -11.952 455 HB2 LYS 63 HB2 LYS 63 -16.900 5.488 -10.032 456 HB3 LYS 63 HB3 LYS 63 -15.233 6.028 -9.888 457 HG2 LYS 63 HG2 LYS 63 -16.370 7.505 -11.376 458 HG3 LYS 63 HG3 LYS 63 -15.255 6.522 -12.329 459 HD2 LYS 63 HD2 LYS 63 -16.928 5.726 -13.569 460 HD3 LYS 63 HD3 LYS 63 -17.816 5.222 -12.129 461 HE2 LYS 63 HE2 LYS 63 -17.954 8.064 -12.378 462 HE3 LYS 63 HE3 LYS 63 -18.424 7.327 -13.910 463 HZ1 LYS 63 HZ1 LYS 63 -19.755 5.804 -12.156 464 HZ2 LYS 63 HZ2 LYS 63 -20.407 7.175 -12.911 465 HZ3 LYS 63 HZ3 LYS 63 -19.767 7.294 -11.346 466 H ALA 64 HN ALA 64 -13.079 3.587 -11.546 467 HA ALA 64 HA ALA 64 -12.392 2.839 -8.794 468 HB1 ALA 64 HB1 ALA 64 -11.843 1.036 -10.138 469 HB2 ALA 64 HB2 ALA 64 -11.286 2.061 -11.460 470 HB3 ALA 64 HB3 ALA 64 -10.307 1.891 -10.003 471 H THR 65 HN THR 65 -11.148 4.087 -7.626 472 HA THR 65 HA THR 65 -9.244 5.883 -8.972 473 HB THR 65 HB THR 65 -10.381 6.678 -6.318 474 HG1 THR 65 HG1 THR 65 -12.313 6.394 -7.360 475 HG21 THR 65 HG21 THR 65 -8.761 8.182 -7.013 476 HG22 THR 65 HG22 THR 65 -10.232 8.949 -7.611 477 HG23 THR 65 HG23 THR 65 -9.202 8.036 -8.714 478 H LEU 66 HN LEU 66 -7.717 6.657 -6.840 479 HA LEU 66 HA LEU 66 -7.221 4.361 -5.153 480 HB2 LEU 66 HB2 LEU 66 -4.778 4.310 -5.878 481 HB3 LEU 66 HB3 LEU 66 -5.952 3.553 -6.937 482 HG LEU 66 HG LEU 66 -5.511 6.324 -7.670 483 HD11 LEU 66 HD11 LEU 66 -3.313 6.284 -7.003 484 HD12 LEU 66 HD12 LEU 66 -3.153 4.548 -7.266 485 HD13 LEU 66 HD13 LEU 66 -3.185 5.648 -8.643 486 HD21 LEU 66 HD21 LEU 66 -6.472 5.083 -9.331 487 HD22 LEU 66 HD22 LEU 66 -4.778 4.958 -9.805 488 HD23 LEU 66 HD23 LEU 66 -5.550 3.634 -8.934 489 H ALA 67 HN ALA 67 -5.904 4.780 -3.413 490 HA ALA 67 HA ALA 67 -4.723 7.421 -3.109 491 HB1 ALA 67 HB1 ALA 67 -6.106 7.147 -0.711 492 HB2 ALA 67 HB2 ALA 67 -6.453 8.295 -2.003 493 HB3 ALA 67 HB3 ALA 67 -7.289 6.742 -1.955 494 H ASP 68 HN ASP 68 -2.794 6.230 -3.016 495 HA ASP 68 HA ASP 68 -2.424 3.973 -1.396 496 HB2 ASP 68 HB2 ASP 68 -0.950 5.238 -3.354 497 HB3 ASP 68 HB3 ASP 68 0.026 5.471 -1.905 498 H ALA 69 HN ALA 69 -1.941 7.382 -0.809 499 HA ALA 69 HA ALA 69 -1.655 6.773 2.035 500 HB1 ALA 69 HB1 ALA 69 0.365 8.091 0.342 501 HB2 ALA 69 HB2 ALA 69 0.017 8.887 1.878 502 HB3 ALA 69 HB3 ALA 69 0.552 7.207 1.858 Start of MODEL 4 1 H1 MET 1 H1 MET 1 0.112 -4.219 -0.627 2 H2 MET 1 H2 MET 1 -0.107 -3.362 -2.072 3 H3 MET 1 H3 MET 1 -1.243 -3.219 -0.820 4 HA MET 1 HA MET 1 0.551 -2.298 0.602 5 HB2 MET 1 HB2 MET 1 2.561 -1.502 -0.401 6 HB3 MET 1 HB3 MET 1 2.384 -3.182 -0.884 7 HG2 MET 1 HG2 MET 1 1.576 -0.860 -2.616 8 HG3 MET 1 HG3 MET 1 3.163 -1.624 -2.676 9 HE1 MET 1 HE1 MET 1 1.569 -1.646 -5.522 10 HE2 MET 1 HE2 MET 1 3.177 -2.128 -4.980 11 HE3 MET 1 HE3 MET 1 2.159 -3.275 -5.852 12 H THR 2 HN THR 2 -1.022 -1.651 -2.420 13 HA THR 2 HA THR 2 -1.339 1.161 -1.637 14 HB THR 2 HB THR 2 -2.407 0.591 -4.246 15 HG1 THR 2 HG1 THR 2 -0.047 0.189 -5.006 16 HG21 THR 2 HG21 THR 2 -1.749 2.740 -4.232 17 HG22 THR 2 HG22 THR 2 -0.142 2.116 -4.600 18 HG23 THR 2 HG23 THR 2 -0.590 2.466 -2.930 19 H HIS 3 HN HIS 3 -3.458 2.071 -1.631 20 HA HIS 3 HA HIS 3 -5.587 0.040 -1.453 21 HB2 HIS 3 HB2 HIS 3 -6.538 2.328 -0.142 22 HB3 HIS 3 HB3 HIS 3 -6.029 0.819 0.600 23 HD1 HIS 3 HD1 HIS 3 -3.600 0.768 1.616 24 HD2 HIS 3 HD2 HIS 3 -4.887 4.497 0.311 25 HE1 HIS 3 HE1 HIS 3 -1.957 2.417 2.555 26 HE2 HIS 3 HE2 HIS 3 -2.746 4.674 1.760 27 H LEU 4 HN LEU 4 -6.878 0.099 -3.116 28 HA LEU 4 HA LEU 4 -7.121 2.469 -4.754 29 HB2 LEU 4 HB2 LEU 4 -7.456 -0.327 -5.134 30 HB3 LEU 4 HB3 LEU 4 -8.996 0.436 -5.478 31 HG LEU 4 HG LEU 4 -7.664 2.020 -7.002 32 HD11 LEU 4 HD11 LEU 4 -5.584 1.197 -7.868 33 HD12 LEU 4 HD12 LEU 4 -5.452 1.352 -6.115 34 HD13 LEU 4 HD13 LEU 4 -5.676 -0.237 -6.843 35 HD21 LEU 4 HD21 LEU 4 -7.802 -0.875 -7.817 36 HD22 LEU 4 HD22 LEU 4 -9.207 0.185 -7.709 37 HD23 LEU 4 HD23 LEU 4 -7.916 0.545 -8.855 38 H LYS 5 HN LYS 5 -9.192 3.433 -5.238 39 HA LYS 5 HA LYS 5 -10.887 3.391 -2.836 40 HB2 LYS 5 HB2 LYS 5 -9.709 5.527 -4.366 41 HB3 LYS 5 HB3 LYS 5 -11.453 5.720 -4.280 42 HG2 LYS 5 HG2 LYS 5 -10.016 5.075 -1.768 43 HG3 LYS 5 HG3 LYS 5 -9.821 6.697 -2.438 44 HD2 LYS 5 HD2 LYS 5 -12.466 6.496 -2.654 45 HD3 LYS 5 HD3 LYS 5 -12.229 5.379 -1.307 46 HE2 LYS 5 HE2 LYS 5 -12.624 7.520 -0.366 47 HE3 LYS 5 HE3 LYS 5 -10.905 7.188 -0.178 48 HZ1 LYS 5 HZ1 LYS 5 -10.386 8.950 -1.405 49 HZ2 LYS 5 HZ2 LYS 5 -12.015 9.421 -1.299 50 HZ3 LYS 5 HZ3 LYS 5 -11.474 8.529 -2.637 51 H ILE 6 HN ILE 6 -12.970 3.048 -2.957 52 HA ILE 6 HA ILE 6 -14.106 2.174 -5.479 53 HB ILE 6 HB ILE 6 -15.247 2.210 -2.676 54 HG12 ILE 6 HG12 ILE 6 -13.456 0.625 -2.808 55 HG13 ILE 6 HG13 ILE 6 -14.962 -0.284 -2.871 56 HG21 ILE 6 HG21 ILE 6 -16.641 2.033 -5.083 57 HG22 ILE 6 HG22 ILE 6 -16.548 0.382 -4.470 58 HG23 ILE 6 HG23 ILE 6 -17.240 1.658 -3.468 59 HD11 ILE 6 HD11 ILE 6 -13.262 -1.115 -4.441 60 HD12 ILE 6 HD12 ILE 6 -14.730 -0.574 -5.254 61 HD13 ILE 6 HD13 ILE 6 -13.289 0.442 -5.267 62 H THR 7 HN THR 7 -15.214 3.522 -6.776 63 HA THR 7 HA THR 7 -16.512 5.860 -5.544 64 HB THR 7 HB THR 7 -15.746 6.582 -8.172 65 HG1 THR 7 HG1 THR 7 -14.097 4.801 -7.525 66 HG21 THR 7 HG21 THR 7 -14.597 7.447 -5.516 67 HG22 THR 7 HG22 THR 7 -16.073 8.079 -6.242 68 HG23 THR 7 HG23 THR 7 -14.522 8.347 -7.032 69 H GLY 8 HN GLY 8 -18.374 6.643 -6.621 70 HA2 GLY 8 HA1 GLY 8 -20.169 6.561 -8.100 71 HA3 GLY 8 HA2 GLY 8 -19.383 5.237 -8.949 72 H MET 9 HN MET 9 -18.999 3.553 -6.718 73 HA MET 9 HA MET 9 -21.638 2.395 -6.563 74 HB2 MET 9 HB2 MET 9 -19.070 1.422 -5.314 75 HB3 MET 9 HB3 MET 9 -20.546 0.498 -5.557 76 HG2 MET 9 HG2 MET 9 -20.254 0.435 -7.875 77 HG3 MET 9 HG3 MET 9 -19.028 1.700 -7.843 78 HE1 MET 9 HE1 MET 9 -15.795 -0.042 -7.524 79 HE2 MET 9 HE2 MET 9 -16.767 0.944 -8.618 80 HE3 MET 9 HE3 MET 9 -16.609 1.403 -6.922 81 H THR 10 HN THR 10 -22.409 1.523 -4.447 82 HA THR 10 HA THR 10 -22.369 3.613 -2.458 83 HB THR 10 HB THR 10 -23.767 1.190 -1.686 84 HG1 THR 10 HG1 THR 10 -25.350 1.410 -3.430 85 HG21 THR 10 HG21 THR 10 -24.047 3.995 -1.511 86 HG22 THR 10 HG22 THR 10 -25.047 2.757 -0.752 87 HG23 THR 10 HG23 THR 10 -25.478 3.388 -2.342 88 H CYS 11 HN CYS 11 -22.127 0.071 -2.105 89 HA CYS 11 HA CYS 11 -19.729 -0.071 -0.702 90 HB2 CYS 11 HB2 CYS 11 -20.622 -0.303 1.617 91 HB3 CYS 11 HB3 CYS 11 -20.673 1.336 0.986 92 HG CYS 11 HG CYS 11 -23.081 1.612 1.860 93 H ASP 12 HN ASP 12 -19.623 -2.061 0.687 94 HA ASP 12 HA ASP 12 -19.828 -4.268 1.013 95 HB2 ASP 12 HB2 ASP 12 -21.893 -3.549 2.135 96 HB3 ASP 12 HB3 ASP 12 -22.776 -3.732 0.623 97 H SER 13 HN SER 13 -22.647 -4.524 -1.031 98 HA SER 13 HA SER 13 -21.695 -6.691 -2.462 99 HB2 SER 13 HB2 SER 13 -23.509 -5.191 -4.096 100 HB3 SER 13 HB3 SER 13 -23.825 -6.654 -3.158 101 HG SER 13 HG SER 13 -25.049 -5.363 -2.029 102 H CYS 14 HN CYS 14 -21.385 -3.271 -3.059 103 HA CYS 14 HA CYS 14 -20.303 -3.404 -5.655 104 HB2 CYS 14 HB2 CYS 14 -19.639 -1.294 -3.612 105 HB3 CYS 14 HB3 CYS 14 -19.747 -1.120 -5.355 106 HG CYS 14 HG CYS 14 -22.660 -1.882 -5.025 107 H ALA 15 HN ALA 15 -18.817 -3.339 -2.440 108 HA ALA 15 HA ALA 15 -16.136 -3.306 -3.427 109 HB1 ALA 15 HB1 ALA 15 -15.648 -4.082 -1.015 110 HB2 ALA 15 HB2 ALA 15 -16.353 -2.484 -1.256 111 HB3 ALA 15 HB3 ALA 15 -17.372 -3.830 -0.744 112 H ALA 16 HN ALA 16 -18.498 -5.745 -2.803 113 HA ALA 16 HA ALA 16 -16.719 -7.958 -2.547 114 HB1 ALA 16 HB1 ALA 16 -19.119 -7.854 -1.755 115 HB2 ALA 16 HB2 ALA 16 -19.588 -8.103 -3.436 116 HB3 ALA 16 HB3 ALA 16 -18.643 -9.330 -2.594 117 H HIS 17 HN HIS 17 -18.632 -6.636 -5.228 118 HA HIS 17 HA HIS 17 -17.794 -8.610 -7.090 119 HB2 HIS 17 HB2 HIS 17 -19.327 -6.069 -7.189 120 HB3 HIS 17 HB3 HIS 17 -18.632 -6.652 -8.692 121 HD1 HIS 17 HD1 HIS 17 -19.148 -9.620 -8.607 122 HD2 HIS 17 HD2 HIS 17 -21.911 -6.811 -7.247 123 HE1 HIS 17 HE1 HIS 17 -21.383 -10.778 -8.653 124 HE2 HIS 17 HE2 HIS 17 -23.013 -9.106 -7.701 125 H VAL 18 HN VAL 18 -16.631 -5.418 -6.170 126 HA VAL 18 HA VAL 18 -14.699 -5.147 -8.212 127 HB VAL 18 HB VAL 18 -14.853 -3.992 -5.427 128 HG11 VAL 18 HG11 VAL 18 -12.925 -2.853 -7.366 129 HG12 VAL 18 HG12 VAL 18 -12.851 -2.931 -5.607 130 HG13 VAL 18 HG13 VAL 18 -12.460 -4.356 -6.570 131 HG21 VAL 18 HG21 VAL 18 -16.088 -3.341 -7.833 132 HG22 VAL 18 HG22 VAL 18 -16.016 -2.353 -6.375 133 HG23 VAL 18 HG23 VAL 18 -14.806 -2.146 -7.640 134 H LYS 19 HN LYS 19 -14.515 -6.467 -4.915 135 HA LYS 19 HA LYS 19 -11.836 -7.269 -4.982 136 HB2 LYS 19 HB2 LYS 19 -13.103 -7.250 -2.908 137 HB3 LYS 19 HB3 LYS 19 -14.184 -8.493 -3.519 138 HG2 LYS 19 HG2 LYS 19 -12.337 -10.089 -3.561 139 HG3 LYS 19 HG3 LYS 19 -11.244 -8.839 -2.963 140 HD2 LYS 19 HD2 LYS 19 -11.775 -9.486 -0.903 141 HD3 LYS 19 HD3 LYS 19 -13.387 -8.829 -1.185 142 HE2 LYS 19 HE2 LYS 19 -13.734 -11.041 -0.475 143 HE3 LYS 19 HE3 LYS 19 -13.963 -11.071 -2.224 144 HZ1 LYS 19 HZ1 LYS 19 -11.991 -12.186 -2.552 145 HZ2 LYS 19 HZ2 LYS 19 -12.517 -12.872 -1.093 146 HZ3 LYS 19 HZ3 LYS 19 -11.314 -11.678 -1.083 147 H GLU 20 HN GLU 20 -14.776 -8.935 -6.002 148 HA GLU 20 HA GLU 20 -13.584 -11.373 -6.713 149 HB2 GLU 20 HB2 GLU 20 -15.920 -11.406 -6.530 150 HB3 GLU 20 HB3 GLU 20 -16.109 -9.963 -7.515 151 HG2 GLU 20 HG2 GLU 20 -15.372 -11.291 -9.484 152 HG3 GLU 20 HG3 GLU 20 -15.382 -12.724 -8.457 153 H ALA 21 HN ALA 21 -14.197 -8.443 -8.593 154 HA ALA 21 HA ALA 21 -13.270 -9.438 -11.067 155 HB1 ALA 21 HB1 ALA 21 -12.741 -6.703 -11.065 156 HB2 ALA 21 HB2 ALA 21 -14.203 -7.498 -11.644 157 HB3 ALA 21 HB3 ALA 21 -14.122 -6.897 -9.986 158 H LEU 22 HN LEU 22 -11.706 -7.939 -8.328 159 HA LEU 22 HA LEU 22 -9.148 -7.594 -9.504 160 HB2 LEU 22 HB2 LEU 22 -10.160 -7.725 -6.683 161 HB3 LEU 22 HB3 LEU 22 -8.437 -7.701 -7.002 162 HG LEU 22 HG LEU 22 -10.262 -5.575 -8.095 163 HD11 LEU 22 HD11 LEU 22 -9.038 -4.375 -6.001 164 HD12 LEU 22 HD12 LEU 22 -10.681 -5.017 -5.958 165 HD13 LEU 22 HD13 LEU 22 -9.341 -5.979 -5.334 166 HD21 LEU 22 HD21 LEU 22 -7.930 -5.926 -8.989 167 HD22 LEU 22 HD22 LEU 22 -8.275 -4.316 -8.355 168 HD23 LEU 22 HD23 LEU 22 -7.340 -5.461 -7.393 169 H GLU 23 HN GLU 23 -10.591 -10.134 -7.504 170 HA GLU 23 HA GLU 23 -8.213 -11.714 -7.431 171 HB2 GLU 23 HB2 GLU 23 -11.071 -12.213 -6.643 172 HB3 GLU 23 HB3 GLU 23 -9.865 -13.494 -6.578 173 HG2 GLU 23 HG2 GLU 23 -8.509 -12.141 -5.062 174 HG3 GLU 23 HG3 GLU 23 -9.721 -10.863 -5.122 175 H LYS 24 HN LYS 24 -10.670 -11.297 -9.745 176 HA LYS 24 HA LYS 24 -10.427 -13.831 -11.041 177 HB2 LYS 24 HB2 LYS 24 -11.655 -11.193 -11.664 178 HB3 LYS 24 HB3 LYS 24 -11.277 -12.237 -13.026 179 HG2 LYS 24 HG2 LYS 24 -12.740 -13.443 -10.750 180 HG3 LYS 24 HG3 LYS 24 -13.615 -12.309 -11.782 181 HD2 LYS 24 HD2 LYS 24 -12.038 -14.234 -13.297 182 HD3 LYS 24 HD3 LYS 24 -13.244 -15.002 -12.260 183 HE2 LYS 24 HE2 LYS 24 -14.963 -14.243 -13.494 184 HE3 LYS 24 HE3 LYS 24 -14.220 -12.663 -13.732 185 HZ1 LYS 24 HZ1 LYS 24 -14.425 -13.823 -15.823 186 HZ2 LYS 24 HZ2 LYS 24 -13.558 -15.148 -15.216 187 HZ3 LYS 24 HZ3 LYS 24 -12.784 -13.655 -15.426 188 H VAL 25 HN VAL 25 -8.622 -10.922 -10.938 189 HA VAL 25 HA VAL 25 -6.978 -11.574 -13.238 190 HB VAL 25 HB VAL 25 -6.744 -9.417 -11.131 191 HG11 VAL 25 HG11 VAL 25 -4.644 -9.068 -11.783 192 HG12 VAL 25 HG12 VAL 25 -4.756 -10.402 -12.931 193 HG13 VAL 25 HG13 VAL 25 -5.218 -8.772 -13.423 194 HG21 VAL 25 HG21 VAL 25 -8.612 -9.385 -12.901 195 HG22 VAL 25 HG22 VAL 25 -7.644 -7.930 -12.665 196 HG23 VAL 25 HG23 VAL 25 -7.322 -8.991 -14.036 197 HA PRO 26 HA PRO 26 -4.618 -14.395 -10.694 198 HB2 PRO 26 HB2 PRO 26 -2.637 -14.867 -12.527 199 HB3 PRO 26 HB3 PRO 26 -4.217 -15.658 -12.552 200 HG2 PRO 26 HG2 PRO 26 -3.249 -13.314 -14.130 201 HG3 PRO 26 HG3 PRO 26 -4.228 -14.693 -14.659 202 HD2 PRO 26 HD2 PRO 26 -5.321 -12.291 -14.129 203 HD3 PRO 26 HD3 PRO 26 -6.176 -13.808 -13.777 204 H GLY 27 HN GLY 27 -3.422 -11.461 -12.095 205 HA2 GLY 27 HA1 GLY 27 -0.849 -11.474 -10.867 206 HA3 GLY 27 HA2 GLY 27 -1.669 -10.071 -11.538 207 H VAL 28 HN VAL 28 -4.018 -10.827 -9.718 208 HA VAL 28 HA VAL 28 -3.068 -9.321 -7.417 209 HB VAL 28 HB VAL 28 -5.852 -10.237 -8.160 210 HG11 VAL 28 HG11 VAL 28 -6.496 -8.458 -6.440 211 HG12 VAL 28 HG12 VAL 28 -5.872 -9.989 -5.824 212 HG13 VAL 28 HG13 VAL 28 -4.826 -8.569 -5.881 213 HG21 VAL 28 HG21 VAL 28 -5.537 -8.609 -9.704 214 HG22 VAL 28 HG22 VAL 28 -5.968 -7.574 -8.342 215 HG23 VAL 28 HG23 VAL 28 -4.273 -7.810 -8.768 216 H GLN 29 HN GLN 29 -2.196 -10.452 -5.816 217 HA GLN 29 HA GLN 29 -2.740 -13.264 -5.498 218 HB2 GLN 29 HB2 GLN 29 -1.056 -11.438 -3.777 219 HB3 GLN 29 HB3 GLN 29 -1.035 -13.196 -3.769 220 HG2 GLN 29 HG2 GLN 29 -0.233 -13.169 -6.096 221 HG3 GLN 29 HG3 GLN 29 -0.190 -11.407 -6.035 222 HE21 GLN 29 HE21 GLN 29 1.671 -14.048 -5.869 223 HE22 GLN 29 HE22 GLN 29 2.957 -13.456 -4.867 224 H SER 30 HN SER 30 -3.477 -10.264 -3.794 225 HA SER 30 HA SER 30 -5.668 -11.605 -2.446 226 HB2 SER 30 HB2 SER 30 -4.425 -10.067 -0.404 227 HB3 SER 30 HB3 SER 30 -4.677 -11.812 -0.443 228 HG SER 30 HG SER 30 -2.637 -11.388 -1.997 229 H ALA 31 HN ALA 31 -7.362 -10.278 -2.212 230 HA ALA 31 HA ALA 31 -6.915 -7.405 -2.667 231 HB1 ALA 31 HB1 ALA 31 -8.119 -8.349 -4.525 232 HB2 ALA 31 HB2 ALA 31 -9.276 -9.118 -3.439 233 HB3 ALA 31 HB3 ALA 31 -9.229 -7.361 -3.576 234 H LEU 32 HN LEU 32 -6.774 -6.744 -0.559 235 HA LEU 32 HA LEU 32 -8.719 -7.636 1.393 236 HB2 LEU 32 HB2 LEU 32 -6.390 -5.722 1.526 237 HB3 LEU 32 HB3 LEU 32 -7.474 -5.992 2.876 238 HG LEU 32 HG LEU 32 -6.656 -8.546 2.091 239 HD11 LEU 32 HD11 LEU 32 -4.672 -8.347 1.124 240 HD12 LEU 32 HD12 LEU 32 -4.677 -6.598 1.351 241 HD13 LEU 32 HD13 LEU 32 -4.066 -7.651 2.627 242 HD21 LEU 32 HD21 LEU 32 -6.994 -8.213 4.340 243 HD22 LEU 32 HD22 LEU 32 -5.231 -8.226 4.256 244 HD23 LEU 32 HD23 LEU 32 -6.097 -6.693 4.359 245 H VAL 33 HN VAL 33 -10.480 -6.772 0.007 246 HA VAL 33 HA VAL 33 -10.783 -3.941 -0.213 247 HB VAL 33 HB VAL 33 -11.847 -5.754 -1.702 248 HG11 VAL 33 HG11 VAL 33 -12.937 -7.077 0.001 249 HG12 VAL 33 HG12 VAL 33 -13.887 -5.682 0.514 250 HG13 VAL 33 HG13 VAL 33 -14.145 -6.385 -1.082 251 HG21 VAL 33 HG21 VAL 33 -12.411 -3.121 -1.268 252 HG22 VAL 33 HG22 VAL 33 -13.061 -4.102 -2.581 253 HG23 VAL 33 HG23 VAL 33 -13.997 -3.877 -1.105 254 H SER 34 HN SER 34 -12.067 -2.583 0.944 255 HA SER 34 HA SER 34 -13.168 -3.631 3.468 256 HB2 SER 34 HB2 SER 34 -12.161 -0.830 3.377 257 HB3 SER 34 HB3 SER 34 -12.144 -1.990 4.707 258 HG SER 34 HG SER 34 -10.596 -2.940 2.771 259 H TYR 35 HN TYR 35 -15.273 -3.709 2.751 260 HA TYR 35 HA TYR 35 -16.501 -1.789 1.182 261 HB2 TYR 35 HB2 TYR 35 -18.497 -2.934 1.519 262 HB3 TYR 35 HB3 TYR 35 -17.250 -4.147 1.581 263 HD1 TYR 35 HD1 TYR 35 -19.818 -2.366 3.494 264 HD2 TYR 35 HD2 TYR 35 -16.802 -5.364 3.627 265 HE1 TYR 35 HE1 TYR 35 -20.753 -3.205 5.609 266 HE2 TYR 35 HE2 TYR 35 -17.727 -6.211 5.741 267 HH TYR 35 HH TYR 35 -20.363 -6.001 6.823 268 HA PRO 36 HA PRO 36 -18.266 0.310 5.137 269 HB2 PRO 36 HB2 PRO 36 -16.296 -0.035 7.252 270 HB3 PRO 36 HB3 PRO 36 -18.021 -0.403 7.273 271 HG2 PRO 36 HG2 PRO 36 -16.096 -2.317 7.326 272 HG3 PRO 36 HG3 PRO 36 -17.699 -2.573 6.612 273 HD2 PRO 36 HD2 PRO 36 -15.094 -1.965 5.262 274 HD3 PRO 36 HD3 PRO 36 -16.375 -3.102 4.785 275 H LYS 37 HN LYS 37 -15.029 0.223 4.075 276 HA LYS 37 HA LYS 37 -14.518 2.956 5.005 277 HB2 LYS 37 HB2 LYS 37 -12.804 0.621 4.340 278 HB3 LYS 37 HB3 LYS 37 -12.159 2.216 3.991 279 HG2 LYS 37 HG2 LYS 37 -11.521 2.372 6.105 280 HG3 LYS 37 HG3 LYS 37 -13.217 2.343 6.590 281 HD2 LYS 37 HD2 LYS 37 -12.980 0.317 7.474 282 HD3 LYS 37 HD3 LYS 37 -12.330 -0.312 5.960 283 HE2 LYS 37 HE2 LYS 37 -10.414 1.340 7.382 284 HE3 LYS 37 HE3 LYS 37 -10.962 -0.026 8.348 285 HZ1 LYS 37 HZ1 LYS 37 -9.066 -0.701 7.108 286 HZ2 LYS 37 HZ2 LYS 37 -9.726 -0.124 5.653 287 HZ3 LYS 37 HZ3 LYS 37 -10.417 -1.468 6.425 288 H GLY 38 HN GLY 38 -14.955 0.966 2.188 289 HA2 GLY 38 HA1 GLY 38 -15.443 1.654 0.021 290 HA3 GLY 38 HA2 GLY 38 -15.100 3.313 0.498 291 H THR 39 HN THR 39 -12.838 0.779 1.188 292 HA THR 39 HA THR 39 -11.109 1.727 -1.003 293 HB THR 39 HB THR 39 -9.460 0.968 1.178 294 HG1 THR 39 HG1 THR 39 -11.426 2.919 1.883 295 HG21 THR 39 HG21 THR 39 -8.369 2.603 0.121 296 HG22 THR 39 HG22 THR 39 -9.405 3.750 0.973 297 HG23 THR 39 HG23 THR 39 -9.851 3.182 -0.637 298 H ALA 40 HN ALA 40 -9.340 0.200 -1.520 299 HA ALA 40 HA ALA 40 -9.808 -2.561 -0.637 300 HB1 ALA 40 HB1 ALA 40 -10.608 -1.611 -3.135 301 HB2 ALA 40 HB2 ALA 40 -9.114 -2.498 -3.437 302 HB3 ALA 40 HB3 ALA 40 -10.467 -3.294 -2.631 303 H GLN 41 HN GLN 41 -7.951 -3.228 0.216 304 HA GLN 41 HA GLN 41 -5.434 -2.053 -0.648 305 HB2 GLN 41 HB2 GLN 41 -6.399 -3.076 1.774 306 HB3 GLN 41 HB3 GLN 41 -5.179 -4.226 1.247 307 HG2 GLN 41 HG2 GLN 41 -4.496 -1.348 1.117 308 HG3 GLN 41 HG3 GLN 41 -4.592 -2.100 2.708 309 HE21 GLN 41 HE21 GLN 41 -3.023 -3.457 3.366 310 HE22 GLN 41 HE22 GLN 41 -1.605 -3.817 2.437 311 H LEU 42 HN LEU 42 -4.592 -2.868 -2.463 312 HA LEU 42 HA LEU 42 -5.102 -5.671 -3.113 313 HB2 LEU 42 HB2 LEU 42 -3.663 -4.441 -5.203 314 HB3 LEU 42 HB3 LEU 42 -5.348 -4.923 -5.184 315 HG LEU 42 HG LEU 42 -5.174 -2.432 -3.837 316 HD11 LEU 42 HD11 LEU 42 -2.979 -2.489 -5.313 317 HD12 LEU 42 HD12 LEU 42 -4.122 -2.051 -6.584 318 HD13 LEU 42 HD13 LEU 42 -3.958 -1.029 -5.155 319 HD21 LEU 42 HD21 LEU 42 -6.430 -3.580 -6.264 320 HD22 LEU 42 HD22 LEU 42 -7.167 -2.774 -4.879 321 HD23 LEU 42 HD23 LEU 42 -6.372 -1.822 -6.132 322 H ALA 43 HN ALA 43 -3.636 -7.194 -2.950 323 HA ALA 43 HA ALA 43 -0.791 -6.433 -2.819 324 HB1 ALA 43 HB1 ALA 43 -1.069 -9.120 -2.046 325 HB2 ALA 43 HB2 ALA 43 -0.708 -7.738 -1.011 326 HB3 ALA 43 HB3 ALA 43 -2.379 -8.248 -1.246 327 H ILE 44 HN ILE 44 -0.121 -6.509 -4.890 328 HA ILE 44 HA ILE 44 -0.967 -8.812 -6.519 329 HB ILE 44 HB ILE 44 -0.798 -7.434 -8.503 330 HG12 ILE 44 HG12 ILE 44 0.934 -5.862 -7.199 331 HG13 ILE 44 HG13 ILE 44 0.038 -5.310 -8.607 332 HG21 ILE 44 HG21 ILE 44 -2.970 -7.412 -7.769 333 HG22 ILE 44 HG22 ILE 44 -2.578 -6.535 -6.291 334 HG23 ILE 44 HG23 ILE 44 -2.612 -5.686 -7.837 335 HD11 ILE 44 HD11 ILE 44 -0.966 -4.872 -5.816 336 HD12 ILE 44 HD12 ILE 44 0.151 -3.758 -6.604 337 HD13 ILE 44 HD13 ILE 44 -1.441 -4.049 -7.301 338 H VAL 45 HN VAL 45 0.552 -9.373 -8.278 339 HA VAL 45 HA VAL 45 3.221 -9.644 -7.284 340 HB VAL 45 HB VAL 45 2.279 -10.214 -10.098 341 HG11 VAL 45 HG11 VAL 45 4.297 -11.066 -10.449 342 HG12 VAL 45 HG12 VAL 45 4.792 -10.400 -8.892 343 HG13 VAL 45 HG13 VAL 45 4.190 -12.055 -8.991 344 HG21 VAL 45 HG21 VAL 45 2.205 -12.085 -7.735 345 HG22 VAL 45 HG22 VAL 45 0.796 -11.304 -8.455 346 HG23 VAL 45 HG23 VAL 45 1.738 -12.462 -9.394 347 HA PRO 46 HA PRO 46 4.766 -5.686 -8.735 348 HB2 PRO 46 HB2 PRO 46 7.308 -7.249 -8.705 349 HB3 PRO 46 HB3 PRO 46 6.952 -5.665 -8.002 350 HG2 PRO 46 HG2 PRO 46 7.132 -7.825 -6.455 351 HG3 PRO 46 HG3 PRO 46 5.910 -6.581 -6.143 352 HD2 PRO 46 HD2 PRO 46 5.595 -9.283 -7.363 353 HD3 PRO 46 HD3 PRO 46 4.489 -8.384 -6.305 354 H GLY 47 HN GLY 47 4.432 -5.181 -10.810 355 HA2 GLY 47 HA1 GLY 47 5.577 -5.331 -13.058 356 HA3 GLY 47 HA2 GLY 47 5.372 -7.072 -12.879 357 H THR 48 HN THR 48 2.765 -6.721 -11.546 358 HA THR 48 HA THR 48 1.078 -6.510 -13.856 359 HB THR 48 HB THR 48 -0.005 -6.473 -11.063 360 HG1 THR 48 HG1 THR 48 1.537 -8.066 -10.869 361 HG21 THR 48 HG21 THR 48 -1.075 -6.832 -13.627 362 HG22 THR 48 HG22 THR 48 -1.897 -7.063 -12.084 363 HG23 THR 48 HG23 THR 48 -1.106 -8.427 -12.875 364 H SER 49 HN SER 49 0.018 -4.779 -14.589 365 HA SER 49 HA SER 49 0.665 -2.234 -13.483 366 HB2 SER 49 HB2 SER 49 -1.444 -2.553 -15.577 367 HB3 SER 49 HB3 SER 49 -0.172 -1.339 -15.445 368 HG SER 49 HG SER 49 0.092 -4.052 -16.245 369 HA PRO 50 HA PRO 50 -2.908 -2.187 -10.785 370 HB2 PRO 50 HB2 PRO 50 -2.019 0.492 -10.033 371 HB3 PRO 50 HB3 PRO 50 -2.109 -0.966 -9.043 372 HG2 PRO 50 HG2 PRO 50 0.243 0.135 -9.816 373 HG3 PRO 50 HG3 PRO 50 0.037 -1.607 -9.553 374 HD2 PRO 50 HD2 PRO 50 0.094 -0.071 -12.125 375 HD3 PRO 50 HD3 PRO 50 0.809 -1.651 -11.735 376 H ASP 51 HN ASP 51 -2.015 0.133 -13.168 377 HA ASP 51 HA ASP 51 -4.347 1.766 -13.074 378 HB2 ASP 51 HB2 ASP 51 -2.450 2.709 -14.138 379 HB3 ASP 51 HB3 ASP 51 -2.176 1.277 -15.117 380 H ALA 52 HN ALA 52 -3.562 -1.328 -14.248 381 HA ALA 52 HA ALA 52 -5.607 -1.484 -16.243 382 HB1 ALA 52 HB1 ALA 52 -4.545 -3.969 -15.029 383 HB2 ALA 52 HB2 ALA 52 -4.800 -3.560 -16.726 384 HB3 ALA 52 HB3 ALA 52 -3.396 -2.926 -15.866 385 H LEU 53 HN LEU 53 -5.316 -2.145 -12.849 386 HA LEU 53 HA LEU 53 -7.788 -3.554 -12.577 387 HB2 LEU 53 HB2 LEU 53 -6.426 -2.010 -10.385 388 HB3 LEU 53 HB3 LEU 53 -7.423 -3.443 -10.244 389 HG LEU 53 HG LEU 53 -4.719 -3.468 -11.576 390 HD11 LEU 53 HD11 LEU 53 -5.382 -3.284 -8.759 391 HD12 LEU 53 HD12 LEU 53 -4.468 -4.744 -9.135 392 HD13 LEU 53 HD13 LEU 53 -3.816 -3.161 -9.563 393 HD21 LEU 53 HD21 LEU 53 -6.107 -5.776 -10.280 394 HD22 LEU 53 HD22 LEU 53 -6.533 -5.288 -11.920 395 HD23 LEU 53 HD23 LEU 53 -4.879 -5.776 -11.546 396 H THR 54 HN THR 54 -6.693 -0.233 -12.073 397 HA THR 54 HA THR 54 -9.103 0.889 -11.226 398 HB THR 54 HB THR 54 -7.619 2.670 -12.989 399 HG1 THR 54 HG1 THR 54 -6.150 1.392 -10.903 400 HG21 THR 54 HG21 THR 54 -7.548 2.864 -10.016 401 HG22 THR 54 HG22 THR 54 -9.106 3.035 -10.824 402 HG23 THR 54 HG23 THR 54 -7.782 4.129 -11.221 403 H ALA 55 HN ALA 55 -7.759 0.580 -14.505 404 HA ALA 55 HA ALA 55 -9.991 1.688 -15.836 405 HB1 ALA 55 HB1 ALA 55 -8.064 1.683 -17.119 406 HB2 ALA 55 HB2 ALA 55 -7.663 0.019 -16.697 407 HB3 ALA 55 HB3 ALA 55 -8.982 0.351 -17.821 408 H ALA 56 HN ALA 56 -9.211 -1.585 -14.806 409 HA ALA 56 HA ALA 56 -11.256 -2.913 -16.216 410 HB1 ALA 56 HB1 ALA 56 -10.420 -4.729 -15.240 411 HB2 ALA 56 HB2 ALA 56 -9.254 -3.667 -14.449 412 HB3 ALA 56 HB3 ALA 56 -10.753 -4.101 -13.627 413 H VAL 57 HN VAL 57 -11.208 -1.482 -12.954 414 HA VAL 57 HA VAL 57 -13.918 -2.182 -12.404 415 HB VAL 57 HB VAL 57 -12.238 -0.065 -11.083 416 HG11 VAL 57 HG11 VAL 57 -14.006 0.427 -9.834 417 HG12 VAL 57 HG12 VAL 57 -14.979 -0.676 -10.808 418 HG13 VAL 57 HG13 VAL 57 -14.163 -1.265 -9.359 419 HG21 VAL 57 HG21 VAL 57 -11.457 -2.543 -11.109 420 HG22 VAL 57 HG22 VAL 57 -11.452 -1.643 -9.591 421 HG23 VAL 57 HG23 VAL 57 -12.760 -2.774 -9.941 422 H ALA 58 HN ALA 58 -12.328 0.784 -13.562 423 HA ALA 58 HA ALA 58 -14.675 2.354 -13.692 424 HB1 ALA 58 HB1 ALA 58 -13.407 3.887 -15.012 425 HB2 ALA 58 HB2 ALA 58 -12.324 3.212 -13.792 426 HB3 ALA 58 HB3 ALA 58 -12.249 2.634 -15.457 427 H GLY 59 HN GLY 59 -13.373 -0.098 -15.752 428 HA2 GLY 59 HA1 GLY 59 -15.187 0.552 -17.942 429 HA3 GLY 59 HA2 GLY 59 -13.985 -0.731 -17.925 430 H LEU 60 HN LEU 60 -15.486 -0.981 -15.056 431 HA LEU 60 HA LEU 60 -17.140 -3.180 -15.961 432 HB2 LEU 60 HB2 LEU 60 -15.812 -2.401 -13.506 433 HB3 LEU 60 HB3 LEU 60 -17.449 -2.946 -13.218 434 HG LEU 60 HG LEU 60 -15.535 -4.601 -14.831 435 HD11 LEU 60 HD11 LEU 60 -14.786 -3.849 -12.407 436 HD12 LEU 60 HD12 LEU 60 -15.898 -5.133 -11.934 437 HD13 LEU 60 HD13 LEU 60 -14.533 -5.494 -12.990 438 HD21 LEU 60 HD21 LEU 60 -16.968 -6.410 -14.167 439 HD22 LEU 60 HD22 LEU 60 -17.873 -5.354 -13.081 440 HD23 LEU 60 HD23 LEU 60 -17.970 -5.116 -14.825 441 H GLY 61 HN GLY 61 -17.637 -0.069 -15.905 442 HA2 GLY 61 HA1 GLY 61 -19.640 1.133 -15.989 443 HA3 GLY 61 HA2 GLY 61 -20.476 -0.258 -15.308 444 H TYR 62 HN TYR 62 -17.682 0.383 -13.631 445 HA TYR 62 HA TYR 62 -19.110 1.918 -11.574 446 HB2 TYR 62 HB2 TYR 62 -16.905 -0.136 -11.290 447 HB3 TYR 62 HB3 TYR 62 -17.547 0.827 -9.969 448 HD1 TYR 62 HD2 TYR 62 -20.444 0.731 -10.508 449 HD2 TYR 62 HD1 TYR 62 -17.500 -2.330 -10.779 450 HE1 TYR 62 HE2 TYR 62 -22.173 -0.962 -10.085 451 HE2 TYR 62 HE1 TYR 62 -19.227 -4.032 -10.358 452 HH TYR 62 HH TYR 62 -21.779 -3.764 -9.001 453 H LYS 63 HN LYS 63 -16.954 2.679 -9.999 454 HA LYS 63 HA LYS 63 -15.092 3.975 -11.860 455 HB2 LYS 63 HB2 LYS 63 -17.094 5.276 -10.253 456 HB3 LYS 63 HB3 LYS 63 -15.490 5.768 -9.726 457 HG2 LYS 63 HG2 LYS 63 -15.930 5.764 -12.634 458 HG3 LYS 63 HG3 LYS 63 -16.852 6.953 -11.712 459 HD2 LYS 63 HD2 LYS 63 -14.149 6.892 -10.764 460 HD3 LYS 63 HD3 LYS 63 -14.155 7.101 -12.517 461 HE2 LYS 63 HE2 LYS 63 -15.980 8.725 -10.795 462 HE3 LYS 63 HE3 LYS 63 -14.286 9.183 -10.965 463 HZ1 LYS 63 HZ1 LYS 63 -16.051 8.722 -13.306 464 HZ2 LYS 63 HZ2 LYS 63 -14.544 9.497 -13.268 465 HZ3 LYS 63 HZ3 LYS 63 -15.894 10.240 -12.564 466 H ALA 64 HN ALA 64 -13.060 3.567 -11.313 467 HA ALA 64 HA ALA 64 -12.511 2.943 -8.489 468 HB1 ALA 64 HB1 ALA 64 -10.733 2.147 -10.765 469 HB2 ALA 64 HB2 ALA 64 -10.822 1.471 -9.139 470 HB3 ALA 64 HB3 ALA 64 -12.120 1.168 -10.293 471 H THR 65 HN THR 65 -11.243 4.269 -7.392 472 HA THR 65 HA THR 65 -9.312 5.924 -8.882 473 HB THR 65 HB THR 65 -9.488 7.163 -6.452 474 HG1 THR 65 HG1 THR 65 -12.139 6.335 -7.159 475 HG21 THR 65 HG21 THR 65 -9.609 8.725 -8.057 476 HG22 THR 65 HG22 THR 65 -11.358 8.535 -7.919 477 HG23 THR 65 HG23 THR 65 -10.470 7.651 -9.160 478 H LEU 66 HN LEU 66 -7.665 6.641 -6.725 479 HA LEU 66 HA LEU 66 -6.996 4.202 -5.320 480 HB2 LEU 66 HB2 LEU 66 -4.903 3.776 -6.293 481 HB3 LEU 66 HB3 LEU 66 -6.009 3.983 -7.638 482 HG LEU 66 HG LEU 66 -4.739 6.492 -6.945 483 HD11 LEU 66 HD11 LEU 66 -2.855 5.301 -6.184 484 HD12 LEU 66 HD12 LEU 66 -2.982 4.116 -7.486 485 HD13 LEU 66 HD13 LEU 66 -2.485 5.769 -7.846 486 HD21 LEU 66 HD21 LEU 66 -5.902 5.494 -9.113 487 HD22 LEU 66 HD22 LEU 66 -4.668 6.749 -9.207 488 HD23 LEU 66 HD23 LEU 66 -4.238 5.062 -9.496 489 H ALA 67 HN ALA 67 -5.906 4.546 -3.486 490 HA ALA 67 HA ALA 67 -4.799 7.255 -3.066 491 HB1 ALA 67 HB1 ALA 67 -5.993 5.516 -0.915 492 HB2 ALA 67 HB2 ALA 67 -5.524 7.212 -0.800 493 HB3 ALA 67 HB3 ALA 67 -6.910 6.745 -1.788 494 H ASP 68 HN ASP 68 -2.704 7.309 -2.541 495 HA ASP 68 HA ASP 68 -1.439 4.822 -1.727 496 HB2 ASP 68 HB2 ASP 68 -0.607 5.850 -3.835 497 HB3 ASP 68 HB3 ASP 68 -0.099 7.256 -2.902 498 H ALA 69 HN ALA 69 0.050 4.806 -0.026 499 HA ALA 69 HA ALA 69 0.989 5.362 1.958 500 HB1 ALA 69 HB1 ALA 69 2.070 7.237 1.173 501 HB2 ALA 69 HB2 ALA 69 0.567 8.082 0.805 502 HB3 ALA 69 HB3 ALA 69 1.094 7.911 2.479 Start of MODEL 5 1 H1 MET 1 H1 MET 1 2.427 -3.712 0.647 2 H2 MET 1 H2 MET 1 1.114 -2.895 1.342 3 H3 MET 1 H3 MET 1 2.125 -2.097 0.237 4 HA MET 1 HA MET 1 1.446 -3.916 -1.392 5 HB2 MET 1 HB2 MET 1 -0.383 -5.204 -0.934 6 HB3 MET 1 HB3 MET 1 0.163 -4.966 0.719 7 HG2 MET 1 HG2 MET 1 -1.493 -2.789 0.179 8 HG3 MET 1 HG3 MET 1 -2.307 -4.181 -0.533 9 HE1 MET 1 HE1 MET 1 -2.388 -6.721 2.035 10 HE2 MET 1 HE2 MET 1 -3.935 -5.936 1.723 11 HE3 MET 1 HE3 MET 1 -2.779 -6.161 0.411 12 H THR 2 HN THR 2 -0.153 -3.273 -2.975 13 HA THR 2 HA THR 2 -0.273 -0.478 -3.285 14 HB THR 2 HB THR 2 -2.162 -1.511 -5.022 15 HG1 THR 2 HG1 THR 2 -1.727 -3.634 -4.347 16 HG21 THR 2 HG21 THR 2 0.079 -1.762 -6.476 17 HG22 THR 2 HG22 THR 2 0.720 -0.830 -5.124 18 HG23 THR 2 HG23 THR 2 -0.626 -0.197 -6.071 19 H HIS 3 HN HIS 3 -1.975 0.970 -3.185 20 HA HIS 3 HA HIS 3 -4.420 -0.004 -1.841 21 HB2 HIS 3 HB2 HIS 3 -3.035 2.666 -1.735 22 HB3 HIS 3 HB3 HIS 3 -4.714 2.481 -1.268 23 HD1 HIS 3 HD1 HIS 3 -4.400 3.017 1.182 24 HD2 HIS 3 HD2 HIS 3 -1.954 -0.076 -0.143 25 HE1 HIS 3 HE1 HIS 3 -3.372 2.027 3.254 26 HE2 HIS 3 HE2 HIS 3 -1.696 0.350 2.394 27 H LEU 4 HN LEU 4 -6.416 0.778 -2.579 28 HA LEU 4 HA LEU 4 -6.441 2.410 -5.001 29 HB2 LEU 4 HB2 LEU 4 -6.663 -0.337 -5.185 30 HB3 LEU 4 HB3 LEU 4 -8.336 0.187 -5.152 31 HG LEU 4 HG LEU 4 -7.495 1.876 -7.007 32 HD11 LEU 4 HD11 LEU 4 -5.725 -0.437 -7.668 33 HD12 LEU 4 HD12 LEU 4 -5.684 1.218 -8.272 34 HD13 LEU 4 HD13 LEU 4 -5.127 0.862 -6.638 35 HD21 LEU 4 HD21 LEU 4 -8.072 -1.046 -7.496 36 HD22 LEU 4 HD22 LEU 4 -9.262 0.243 -7.313 37 HD23 LEU 4 HD23 LEU 4 -8.180 0.234 -8.706 38 H LYS 5 HN LYS 5 -8.596 3.286 -5.454 39 HA LYS 5 HA LYS 5 -10.179 3.445 -2.969 40 HB2 LYS 5 HB2 LYS 5 -8.877 5.496 -4.257 41 HB3 LYS 5 HB3 LYS 5 -10.520 5.645 -4.868 42 HG2 LYS 5 HG2 LYS 5 -10.124 5.315 -1.940 43 HG3 LYS 5 HG3 LYS 5 -9.760 6.878 -2.678 44 HD2 LYS 5 HD2 LYS 5 -12.090 6.599 -3.792 45 HD3 LYS 5 HD3 LYS 5 -12.367 5.420 -2.508 46 HE2 LYS 5 HE2 LYS 5 -12.374 7.000 -0.868 47 HE3 LYS 5 HE3 LYS 5 -11.272 8.067 -1.738 48 HZ1 LYS 5 HZ1 LYS 5 -13.571 8.913 -1.564 49 HZ2 LYS 5 HZ2 LYS 5 -14.096 7.616 -2.515 50 HZ3 LYS 5 HZ3 LYS 5 -13.032 8.763 -3.169 51 H ILE 6 HN ILE 6 -12.385 3.360 -3.073 52 HA ILE 6 HA ILE 6 -13.482 2.350 -5.614 53 HB ILE 6 HB ILE 6 -14.203 1.803 -2.737 54 HG12 ILE 6 HG12 ILE 6 -12.454 0.397 -3.579 55 HG13 ILE 6 HG13 ILE 6 -13.924 -0.567 -3.489 56 HG21 ILE 6 HG21 ILE 6 -16.339 2.008 -3.599 57 HG22 ILE 6 HG22 ILE 6 -15.875 1.376 -5.179 58 HG23 ILE 6 HG23 ILE 6 -16.005 0.288 -3.796 59 HD11 ILE 6 HD11 ILE 6 -13.637 0.672 -6.079 60 HD12 ILE 6 HD12 ILE 6 -12.229 -0.305 -5.661 61 HD13 ILE 6 HD13 ILE 6 -13.837 -1.028 -5.654 62 H THR 7 HN THR 7 -15.103 3.456 -6.583 63 HA THR 7 HA THR 7 -16.725 5.312 -5.009 64 HB THR 7 HB THR 7 -16.307 6.584 -7.492 65 HG1 THR 7 HG1 THR 7 -14.300 5.190 -7.351 66 HG21 THR 7 HG21 THR 7 -14.799 7.912 -5.516 67 HG22 THR 7 HG22 THR 7 -16.155 7.151 -4.684 68 HG23 THR 7 HG23 THR 7 -16.451 8.258 -6.024 69 H GLY 8 HN GLY 8 -18.706 5.963 -6.144 70 HA2 GLY 8 HA1 GLY 8 -20.293 5.770 -7.872 71 HA3 GLY 8 HA2 GLY 8 -19.370 4.440 -8.552 72 H MET 9 HN MET 9 -19.160 2.848 -6.234 73 HA MET 9 HA MET 9 -21.796 1.653 -6.362 74 HB2 MET 9 HB2 MET 9 -19.287 0.660 -5.015 75 HB3 MET 9 HB3 MET 9 -20.773 -0.250 -5.233 76 HG2 MET 9 HG2 MET 9 -20.484 -0.424 -7.520 77 HG3 MET 9 HG3 MET 9 -19.319 0.897 -7.572 78 HE1 MET 9 HE1 MET 9 -17.176 0.957 -6.846 79 HE2 MET 9 HE2 MET 9 -16.088 -0.380 -6.465 80 HE3 MET 9 HE3 MET 9 -16.582 -0.093 -8.134 81 H THR 10 HN THR 10 -22.656 0.626 -4.308 82 HA THR 10 HA THR 10 -22.915 2.687 -2.316 83 HB THR 10 HB THR 10 -24.216 0.202 -1.635 84 HG1 THR 10 HG1 THR 10 -25.507 0.025 -3.495 85 HG21 THR 10 HG21 THR 10 -24.838 2.505 -0.909 86 HG22 THR 10 HG22 THR 10 -26.179 1.599 -1.609 87 HG23 THR 10 HG23 THR 10 -25.358 2.838 -2.561 88 H CYS 11 HN CYS 11 -22.452 -0.847 -1.883 89 HA CYS 11 HA CYS 11 -20.119 -0.603 -0.313 90 HB2 CYS 11 HB2 CYS 11 -21.024 -0.961 1.905 91 HB3 CYS 11 HB3 CYS 11 -21.664 0.529 1.228 92 HG CYS 11 HG CYS 11 -24.173 -0.082 1.376 93 H ASP 12 HN ASP 12 -19.427 -2.554 0.626 94 HA ASP 12 HA ASP 12 -19.147 -4.763 0.937 95 HB2 ASP 12 HB2 ASP 12 -21.280 -4.155 2.296 96 HB3 ASP 12 HB3 ASP 12 -22.113 -5.130 1.089 97 H SER 13 HN SER 13 -22.284 -5.368 -0.525 98 HA SER 13 HA SER 13 -21.422 -7.501 -2.081 99 HB2 SER 13 HB2 SER 13 -23.665 -5.992 -3.226 100 HB3 SER 13 HB3 SER 13 -23.613 -7.650 -2.622 101 HG SER 13 HG SER 13 -23.793 -6.832 -0.502 102 H CYS 14 HN CYS 14 -21.495 -4.081 -2.752 103 HA CYS 14 HA CYS 14 -20.854 -4.173 -5.496 104 HB2 CYS 14 HB2 CYS 14 -20.107 -2.055 -3.476 105 HB3 CYS 14 HB3 CYS 14 -20.233 -1.840 -5.217 106 HG CYS 14 HG CYS 14 -23.125 -2.915 -4.560 107 H ALA 15 HN ALA 15 -18.860 -4.018 -2.569 108 HA ALA 15 HA ALA 15 -16.378 -3.860 -3.980 109 HB1 ALA 15 HB1 ALA 15 -15.603 -4.701 -1.567 110 HB2 ALA 15 HB2 ALA 15 -16.071 -3.031 -1.889 111 HB3 ALA 15 HB3 ALA 15 -17.225 -4.144 -1.155 112 H ALA 16 HN ALA 16 -18.501 -6.399 -3.070 113 HA ALA 16 HA ALA 16 -16.628 -8.534 -3.008 114 HB1 ALA 16 HB1 ALA 16 -19.304 -9.291 -3.866 115 HB2 ALA 16 HB2 ALA 16 -18.397 -9.771 -2.433 116 HB3 ALA 16 HB3 ALA 16 -19.310 -8.263 -2.433 117 H HIS 17 HN HIS 17 -18.734 -7.194 -5.516 118 HA HIS 17 HA HIS 17 -18.057 -9.011 -7.557 119 HB2 HIS 17 HB2 HIS 17 -19.890 -7.054 -7.378 120 HB3 HIS 17 HB3 HIS 17 -18.662 -6.195 -8.302 121 HD1 HIS 17 HD1 HIS 17 -20.272 -6.140 -10.352 122 HD2 HIS 17 HD2 HIS 17 -19.164 -9.954 -9.119 123 HE1 HIS 17 HE1 HIS 17 -20.939 -7.680 -12.224 124 HE2 HIS 17 HE2 HIS 17 -20.378 -9.995 -11.404 125 H VAL 18 HN VAL 18 -16.712 -5.891 -6.624 126 HA VAL 18 HA VAL 18 -14.760 -5.701 -8.640 127 HB VAL 18 HB VAL 18 -14.725 -4.576 -5.832 128 HG11 VAL 18 HG11 VAL 18 -12.504 -4.758 -7.177 129 HG12 VAL 18 HG12 VAL 18 -13.176 -3.422 -8.112 130 HG13 VAL 18 HG13 VAL 18 -12.921 -3.244 -6.377 131 HG21 VAL 18 HG21 VAL 18 -15.928 -2.813 -6.565 132 HG22 VAL 18 HG22 VAL 18 -15.228 -2.866 -8.182 133 HG23 VAL 18 HG23 VAL 18 -16.513 -3.990 -7.741 134 H LYS 19 HN LYS 19 -14.601 -6.993 -5.329 135 HA LYS 19 HA LYS 19 -11.881 -7.668 -5.345 136 HB2 LYS 19 HB2 LYS 19 -13.190 -7.616 -3.286 137 HB3 LYS 19 HB3 LYS 19 -14.171 -8.960 -3.850 138 HG2 LYS 19 HG2 LYS 19 -11.843 -10.178 -3.985 139 HG3 LYS 19 HG3 LYS 19 -11.388 -8.947 -2.806 140 HD2 LYS 19 HD2 LYS 19 -12.356 -10.141 -1.200 141 HD3 LYS 19 HD3 LYS 19 -13.906 -9.985 -2.029 142 HE2 LYS 19 HE2 LYS 19 -13.747 -12.252 -2.011 143 HE3 LYS 19 HE3 LYS 19 -12.880 -11.929 -3.510 144 HZ1 LYS 19 HZ1 LYS 19 -11.095 -11.807 -1.319 145 HZ2 LYS 19 HZ2 LYS 19 -11.062 -12.842 -2.662 146 HZ3 LYS 19 HZ3 LYS 19 -11.941 -13.275 -1.277 147 H GLU 20 HN GLU 20 -14.733 -9.543 -6.253 148 HA GLU 20 HA GLU 20 -13.344 -11.924 -6.837 149 HB2 GLU 20 HB2 GLU 20 -15.776 -11.812 -6.427 150 HB3 GLU 20 HB3 GLU 20 -15.979 -10.934 -7.936 151 HG2 GLU 20 HG2 GLU 20 -14.634 -13.211 -8.699 152 HG3 GLU 20 HG3 GLU 20 -15.738 -13.778 -7.445 153 H ALA 21 HN ALA 21 -14.232 -9.146 -8.813 154 HA ALA 21 HA ALA 21 -13.410 -10.272 -11.288 155 HB1 ALA 21 HB1 ALA 21 -14.380 -8.431 -12.054 156 HB2 ALA 21 HB2 ALA 21 -14.539 -7.825 -10.406 157 HB3 ALA 21 HB3 ALA 21 -13.097 -7.448 -11.350 158 H LEU 22 HN LEU 22 -11.830 -8.447 -8.768 159 HA LEU 22 HA LEU 22 -9.387 -8.030 -10.151 160 HB2 LEU 22 HB2 LEU 22 -10.180 -7.941 -7.254 161 HB3 LEU 22 HB3 LEU 22 -8.512 -7.730 -7.747 162 HG LEU 22 HG LEU 22 -10.848 -5.963 -8.466 163 HD11 LEU 22 HD11 LEU 22 -8.899 -4.403 -7.381 164 HD12 LEU 22 HD12 LEU 22 -10.275 -5.059 -6.497 165 HD13 LEU 22 HD13 LEU 22 -8.721 -5.892 -6.456 166 HD21 LEU 22 HD21 LEU 22 -7.977 -5.784 -9.371 167 HD22 LEU 22 HD22 LEU 22 -9.360 -6.192 -10.385 168 HD23 LEU 22 HD23 LEU 22 -9.233 -4.584 -9.674 169 H GLU 23 HN GLU 23 -10.444 -10.420 -7.746 170 HA GLU 23 HA GLU 23 -7.878 -11.698 -7.736 171 HB2 GLU 23 HB2 GLU 23 -10.522 -12.319 -6.451 172 HB3 GLU 23 HB3 GLU 23 -9.165 -13.438 -6.350 173 HG2 GLU 23 HG2 GLU 23 -7.801 -11.558 -5.423 174 HG3 GLU 23 HG3 GLU 23 -9.283 -10.608 -5.348 175 H LYS 24 HN LYS 24 -10.592 -11.892 -9.765 176 HA LYS 24 HA LYS 24 -10.138 -14.561 -10.695 177 HB2 LYS 24 HB2 LYS 24 -11.926 -14.196 -12.023 178 HB3 LYS 24 HB3 LYS 24 -12.150 -12.765 -11.035 179 HG2 LYS 24 HG2 LYS 24 -11.642 -11.370 -12.713 180 HG3 LYS 24 HG3 LYS 24 -10.360 -12.412 -13.331 181 HD2 LYS 24 HD2 LYS 24 -12.215 -13.939 -14.167 182 HD3 LYS 24 HD3 LYS 24 -13.319 -12.604 -13.824 183 HE2 LYS 24 HE2 LYS 24 -12.613 -11.396 -15.587 184 HE3 LYS 24 HE3 LYS 24 -10.928 -11.870 -15.364 185 HZ1 LYS 24 HZ1 LYS 24 -11.495 -14.037 -16.353 186 HZ2 LYS 24 HZ2 LYS 24 -11.743 -12.746 -17.421 187 HZ3 LYS 24 HZ3 LYS 24 -13.068 -13.479 -16.656 188 H VAL 25 HN VAL 25 -8.674 -11.509 -11.156 189 HA VAL 25 HA VAL 25 -7.219 -12.267 -13.546 190 HB VAL 25 HB VAL 25 -7.067 -9.845 -11.738 191 HG11 VAL 25 HG11 VAL 25 -4.857 -10.230 -12.648 192 HG12 VAL 25 HG12 VAL 25 -5.524 -10.416 -14.270 193 HG13 VAL 25 HG13 VAL 25 -5.596 -8.850 -13.461 194 HG21 VAL 25 HG21 VAL 25 -7.783 -8.854 -14.096 195 HG22 VAL 25 HG22 VAL 25 -8.431 -10.483 -14.294 196 HG23 VAL 25 HG23 VAL 25 -8.961 -9.480 -12.943 197 HA PRO 26 HA PRO 26 -4.242 -14.492 -11.122 198 HB2 PRO 26 HB2 PRO 26 -2.369 -14.842 -13.069 199 HB3 PRO 26 HB3 PRO 26 -3.866 -15.776 -12.977 200 HG2 PRO 26 HG2 PRO 26 -3.220 -13.392 -14.669 201 HG3 PRO 26 HG3 PRO 26 -4.075 -14.883 -15.110 202 HD2 PRO 26 HD2 PRO 26 -5.379 -12.588 -14.561 203 HD3 PRO 26 HD3 PRO 26 -6.058 -14.178 -14.163 204 H GLY 27 HN GLY 27 -3.925 -11.338 -11.994 205 HA2 GLY 27 HA1 GLY 27 -1.119 -11.106 -11.201 206 HA3 GLY 27 HA2 GLY 27 -2.125 -9.808 -11.826 207 H VAL 28 HN VAL 28 -4.217 -10.990 -9.822 208 HA VAL 28 HA VAL 28 -3.353 -9.260 -7.627 209 HB VAL 28 HB VAL 28 -6.045 -10.478 -8.269 210 HG11 VAL 28 HG11 VAL 28 -6.965 -9.468 -6.368 211 HG12 VAL 28 HG12 VAL 28 -5.464 -10.183 -5.780 212 HG13 VAL 28 HG13 VAL 28 -5.546 -8.452 -6.107 213 HG21 VAL 28 HG21 VAL 28 -4.812 -8.279 -9.349 214 HG22 VAL 28 HG22 VAL 28 -6.551 -8.567 -9.314 215 HG23 VAL 28 HG23 VAL 28 -5.797 -7.577 -8.065 216 H GLN 29 HN GLN 29 -2.545 -10.078 -5.835 217 HA GLN 29 HA GLN 29 -2.555 -12.943 -5.414 218 HB2 GLN 29 HB2 GLN 29 -0.578 -11.326 -5.034 219 HB3 GLN 29 HB3 GLN 29 -1.397 -10.889 -3.542 220 HG2 GLN 29 HG2 GLN 29 -1.232 -13.134 -2.724 221 HG3 GLN 29 HG3 GLN 29 -0.585 -13.693 -4.268 222 HE21 GLN 29 HE21 GLN 29 0.171 -12.645 -1.207 223 HE22 GLN 29 HE22 GLN 29 1.852 -12.285 -1.446 224 H SER 30 HN SER 30 -3.626 -10.041 -3.683 225 HA SER 30 HA SER 30 -5.841 -11.489 -2.523 226 HB2 SER 30 HB2 SER 30 -4.836 -10.288 -0.242 227 HB3 SER 30 HB3 SER 30 -4.736 -12.008 -0.618 228 HG SER 30 HG SER 30 -2.728 -10.482 -0.194 229 H ALA 31 HN ALA 31 -7.501 -10.155 -2.792 230 HA ALA 31 HA ALA 31 -6.995 -7.255 -2.738 231 HB1 ALA 31 HB1 ALA 31 -9.582 -7.705 -3.700 232 HB2 ALA 31 HB2 ALA 31 -8.156 -7.249 -4.633 233 HB3 ALA 31 HB3 ALA 31 -8.578 -8.951 -4.438 234 H LEU 32 HN LEU 32 -7.230 -6.651 -0.631 235 HA LEU 32 HA LEU 32 -9.610 -7.588 0.807 236 HB2 LEU 32 HB2 LEU 32 -7.027 -6.338 1.700 237 HB3 LEU 32 HB3 LEU 32 -8.424 -6.396 2.759 238 HG LEU 32 HG LEU 32 -8.111 -9.013 1.806 239 HD11 LEU 32 HD11 LEU 32 -5.778 -9.496 2.525 240 HD12 LEU 32 HD12 LEU 32 -5.897 -8.561 1.034 241 HD13 LEU 32 HD13 LEU 32 -5.479 -7.758 2.546 242 HD21 LEU 32 HD21 LEU 32 -8.907 -8.721 3.966 243 HD22 LEU 32 HD22 LEU 32 -7.268 -9.314 4.235 244 HD23 LEU 32 HD23 LEU 32 -7.620 -7.595 4.394 245 H VAL 33 HN VAL 33 -11.002 -6.254 -0.462 246 HA VAL 33 HA VAL 33 -10.739 -3.399 -0.394 247 HB VAL 33 HB VAL 33 -13.282 -4.856 -1.052 248 HG11 VAL 33 HG11 VAL 33 -12.456 -2.172 -1.143 249 HG12 VAL 33 HG12 VAL 33 -12.559 -2.719 -2.816 250 HG13 VAL 33 HG13 VAL 33 -13.960 -2.862 -1.755 251 HG21 VAL 33 HG21 VAL 33 -11.358 -4.320 -3.239 252 HG22 VAL 33 HG22 VAL 33 -11.017 -5.696 -2.191 253 HG23 VAL 33 HG23 VAL 33 -12.545 -5.612 -3.063 254 H SER 34 HN SER 34 -11.272 -2.136 1.244 255 HA SER 34 HA SER 34 -12.873 -3.157 3.436 256 HB2 SER 34 HB2 SER 34 -11.773 -0.368 3.311 257 HB3 SER 34 HB3 SER 34 -11.977 -1.427 4.712 258 HG SER 34 HG SER 34 -10.297 -2.769 3.712 259 H TYR 35 HN TYR 35 -14.963 -3.200 2.899 260 HA TYR 35 HA TYR 35 -16.199 -1.476 1.098 261 HB2 TYR 35 HB2 TYR 35 -17.910 -2.894 1.225 262 HB3 TYR 35 HB3 TYR 35 -16.800 -3.872 2.152 263 HD1 TYR 35 HD1 TYR 35 -19.597 -1.453 2.460 264 HD2 TYR 35 HD2 TYR 35 -17.320 -4.496 4.375 265 HE1 TYR 35 HE1 TYR 35 -21.176 -1.448 4.343 266 HE2 TYR 35 HE2 TYR 35 -18.901 -4.502 6.254 267 HH TYR 35 HH TYR 35 -20.798 -2.219 7.050 268 HA PRO 36 HA PRO 36 -18.121 0.920 4.834 269 HB2 PRO 36 HB2 PRO 36 -16.608 1.131 7.072 270 HB3 PRO 36 HB3 PRO 36 -17.823 -0.135 6.854 271 HG2 PRO 36 HG2 PRO 36 -14.855 -0.270 6.451 272 HG3 PRO 36 HG3 PRO 36 -15.926 -1.425 7.271 273 HD2 PRO 36 HD2 PRO 36 -15.067 -1.817 4.750 274 HD3 PRO 36 HD3 PRO 36 -16.684 -2.324 5.279 275 H LYS 37 HN LYS 37 -14.786 0.855 3.932 276 HA LYS 37 HA LYS 37 -14.422 3.684 4.600 277 HB2 LYS 37 HB2 LYS 37 -12.716 1.386 4.609 278 HB3 LYS 37 HB3 LYS 37 -12.062 2.568 3.483 279 HG2 LYS 37 HG2 LYS 37 -12.890 3.387 6.236 280 HG3 LYS 37 HG3 LYS 37 -11.319 2.636 5.948 281 HD2 LYS 37 HD2 LYS 37 -12.224 4.967 4.307 282 HD3 LYS 37 HD3 LYS 37 -11.509 5.217 5.901 283 HE2 LYS 37 HE2 LYS 37 -10.056 3.397 4.095 284 HE3 LYS 37 HE3 LYS 37 -10.090 5.092 3.616 285 HZ1 LYS 37 HZ1 LYS 37 -8.190 4.823 4.940 286 HZ2 LYS 37 HZ2 LYS 37 -9.012 3.923 6.120 287 HZ3 LYS 37 HZ3 LYS 37 -9.319 5.584 5.952 288 H GLY 38 HN GLY 38 -15.104 1.639 1.967 289 HA2 GLY 38 HA1 GLY 38 -15.359 2.069 -0.283 290 HA3 GLY 38 HA2 GLY 38 -15.137 3.776 0.086 291 H THR 39 HN THR 39 -12.844 1.242 0.866 292 HA THR 39 HA THR 39 -11.037 2.213 -1.238 293 HB THR 39 HB THR 39 -9.536 1.627 1.148 294 HG1 THR 39 HG1 THR 39 -11.742 3.378 1.390 295 HG21 THR 39 HG21 THR 39 -9.796 4.386 0.059 296 HG22 THR 39 HG22 THR 39 -9.150 3.135 -1.004 297 HG23 THR 39 HG23 THR 39 -8.351 3.488 0.528 298 H ALA 40 HN ALA 40 -9.208 0.735 -1.613 299 HA ALA 40 HA ALA 40 -9.827 -2.028 -0.804 300 HB1 ALA 40 HB1 ALA 40 -8.908 -1.142 -3.537 301 HB2 ALA 40 HB2 ALA 40 -9.230 -2.799 -3.026 302 HB3 ALA 40 HB3 ALA 40 -10.549 -1.634 -3.118 303 H GLN 41 HN GLN 41 -8.181 -3.046 0.123 304 HA GLN 41 HA GLN 41 -5.456 -2.028 -0.352 305 HB2 GLN 41 HB2 GLN 41 -5.710 -3.884 1.881 306 HB3 GLN 41 HB3 GLN 41 -4.989 -2.284 1.839 307 HG2 GLN 41 HG2 GLN 41 -7.956 -2.541 1.896 308 HG3 GLN 41 HG3 GLN 41 -7.032 -2.792 3.375 309 HE21 GLN 41 HE21 GLN 41 -8.809 -0.796 3.344 310 HE22 GLN 41 HE22 GLN 41 -8.005 0.737 3.271 311 H LEU 42 HN LEU 42 -4.923 -3.217 -2.155 312 HA LEU 42 HA LEU 42 -5.218 -6.132 -1.904 313 HB2 LEU 42 HB2 LEU 42 -5.964 -6.340 -4.064 314 HB3 LEU 42 HB3 LEU 42 -6.714 -4.835 -3.576 315 HG LEU 42 HG LEU 42 -4.086 -4.596 -4.912 316 HD11 LEU 42 HD11 LEU 42 -5.635 -6.418 -6.050 317 HD12 LEU 42 HD12 LEU 42 -6.415 -4.979 -6.704 318 HD13 LEU 42 HD13 LEU 42 -4.699 -5.262 -6.996 319 HD21 LEU 42 HD21 LEU 42 -5.168 -2.576 -4.350 320 HD22 LEU 42 HD22 LEU 42 -5.406 -2.772 -6.086 321 HD23 LEU 42 HD23 LEU 42 -6.719 -3.141 -4.968 322 H ALA 43 HN ALA 43 -3.534 -7.378 -2.363 323 HA ALA 43 HA ALA 43 -1.015 -6.064 -3.075 324 HB1 ALA 43 HB1 ALA 43 -0.633 -8.816 -2.518 325 HB2 ALA 43 HB2 ALA 43 -0.138 -7.424 -1.553 326 HB3 ALA 43 HB3 ALA 43 -1.716 -8.166 -1.289 327 H ILE 44 HN ILE 44 -0.220 -6.265 -5.073 328 HA ILE 44 HA ILE 44 -1.418 -8.310 -6.822 329 HB ILE 44 HB ILE 44 -0.362 -6.693 -8.640 330 HG12 ILE 44 HG12 ILE 44 -1.292 -4.502 -6.924 331 HG13 ILE 44 HG13 ILE 44 0.207 -5.243 -6.373 332 HG21 ILE 44 HG21 ILE 44 -2.958 -6.998 -7.424 333 HG22 ILE 44 HG22 ILE 44 -2.739 -5.362 -8.046 334 HG23 ILE 44 HG23 ILE 44 -2.531 -6.748 -9.118 335 HD11 ILE 44 HD11 ILE 44 -0.025 -3.267 -8.254 336 HD12 ILE 44 HD12 ILE 44 1.386 -4.293 -7.999 337 HD13 ILE 44 HD13 ILE 44 0.196 -4.718 -9.230 338 H VAL 45 HN VAL 45 -0.066 -9.320 -8.390 339 HA VAL 45 HA VAL 45 2.557 -9.948 -7.404 340 HB VAL 45 HB VAL 45 1.274 -10.699 -10.042 341 HG11 VAL 45 HG11 VAL 45 3.884 -10.914 -9.495 342 HG12 VAL 45 HG12 VAL 45 3.318 -12.412 -8.756 343 HG13 VAL 45 HG13 VAL 45 3.008 -12.099 -10.464 344 HG21 VAL 45 HG21 VAL 45 0.287 -11.382 -7.645 345 HG22 VAL 45 HG22 VAL 45 0.224 -12.443 -9.055 346 HG23 VAL 45 HG23 VAL 45 1.487 -12.659 -7.842 347 HA PRO 46 HA PRO 46 4.796 -6.531 -9.173 348 HB2 PRO 46 HB2 PRO 46 6.826 -8.713 -9.452 349 HB3 PRO 46 HB3 PRO 46 7.024 -7.070 -8.831 350 HG2 PRO 46 HG2 PRO 46 6.847 -9.120 -7.155 351 HG3 PRO 46 HG3 PRO 46 6.042 -7.583 -6.788 352 HD2 PRO 46 HD2 PRO 46 4.874 -10.164 -7.697 353 HD3 PRO 46 HD3 PRO 46 4.175 -8.912 -6.651 354 H GLY 47 HN GLY 47 4.366 -5.859 -11.148 355 HA2 GLY 47 HA1 GLY 47 5.186 -6.155 -13.528 356 HA3 GLY 47 HA2 GLY 47 4.516 -7.777 -13.383 357 H THR 48 HN THR 48 2.241 -7.130 -11.889 358 HA THR 48 HA THR 48 0.480 -6.135 -13.909 359 HB THR 48 HB THR 48 -0.474 -6.339 -11.105 360 HG1 THR 48 HG1 THR 48 0.807 -8.119 -11.010 361 HG21 THR 48 HG21 THR 48 -1.607 -7.833 -13.421 362 HG22 THR 48 HG22 THR 48 -1.775 -6.078 -13.388 363 HG23 THR 48 HG23 THR 48 -2.429 -7.051 -12.072 364 H SER 49 HN SER 49 -0.291 -4.137 -14.189 365 HA SER 49 HA SER 49 0.780 -2.086 -12.437 366 HB2 SER 49 HB2 SER 49 -0.764 -1.448 -14.917 367 HB3 SER 49 HB3 SER 49 0.613 -0.602 -14.213 368 HG SER 49 HG SER 49 1.088 -3.206 -15.044 369 HA PRO 50 HA PRO 50 -3.110 -1.694 -10.377 370 HB2 PRO 50 HB2 PRO 50 -2.726 0.767 -9.249 371 HB3 PRO 50 HB3 PRO 50 -2.021 -0.725 -8.620 372 HG2 PRO 50 HG2 PRO 50 -0.778 1.384 -10.334 373 HG3 PRO 50 HG3 PRO 50 -0.081 0.498 -8.966 374 HD2 PRO 50 HD2 PRO 50 0.478 -0.127 -11.540 375 HD3 PRO 50 HD3 PRO 50 0.418 -1.350 -10.253 376 H ASP 51 HN ASP 51 -2.061 0.383 -12.854 377 HA ASP 51 HA ASP 51 -4.342 2.075 -13.002 378 HB2 ASP 51 HB2 ASP 51 -2.772 3.021 -14.338 379 HB3 ASP 51 HB3 ASP 51 -1.951 1.496 -14.615 380 H ALA 52 HN ALA 52 -3.545 -1.124 -13.915 381 HA ALA 52 HA ALA 52 -5.598 -1.450 -15.873 382 HB1 ALA 52 HB1 ALA 52 -3.581 -3.192 -14.600 383 HB2 ALA 52 HB2 ALA 52 -5.031 -3.987 -15.216 384 HB3 ALA 52 HB3 ALA 52 -4.024 -3.026 -16.299 385 H LEU 53 HN LEU 53 -5.244 -2.053 -12.457 386 HA LEU 53 HA LEU 53 -7.705 -3.411 -12.077 387 HB2 LEU 53 HB2 LEU 53 -6.432 -1.698 -9.971 388 HB3 LEU 53 HB3 LEU 53 -7.302 -3.206 -9.785 389 HG LEU 53 HG LEU 53 -4.627 -3.091 -11.156 390 HD11 LEU 53 HD11 LEU 53 -4.688 -4.024 -8.379 391 HD12 LEU 53 HD12 LEU 53 -3.489 -3.047 -9.225 392 HD13 LEU 53 HD13 LEU 53 -4.945 -2.291 -8.579 393 HD21 LEU 53 HD21 LEU 53 -4.816 -5.489 -9.920 394 HD22 LEU 53 HD22 LEU 53 -6.513 -5.177 -10.284 395 HD23 LEU 53 HD23 LEU 53 -5.321 -5.192 -11.584 396 H THR 54 HN THR 54 -6.671 -0.053 -11.762 397 HA THR 54 HA THR 54 -9.089 1.096 -11.004 398 HB THR 54 HB THR 54 -7.016 2.356 -12.816 399 HG1 THR 54 HG1 THR 54 -5.914 1.642 -11.020 400 HG21 THR 54 HG21 THR 54 -9.268 3.511 -12.378 401 HG22 THR 54 HG22 THR 54 -7.801 4.440 -12.068 402 HG23 THR 54 HG23 THR 54 -8.691 3.721 -10.725 403 H ALA 55 HN ALA 55 -7.754 0.562 -14.257 404 HA ALA 55 HA ALA 55 -9.999 1.612 -15.632 405 HB1 ALA 55 HB1 ALA 55 -9.007 0.133 -17.543 406 HB2 ALA 55 HB2 ALA 55 -8.113 1.538 -16.963 407 HB3 ALA 55 HB3 ALA 55 -7.663 -0.079 -16.421 408 H ALA 56 HN ALA 56 -9.206 -1.587 -14.418 409 HA ALA 56 HA ALA 56 -11.274 -2.994 -15.716 410 HB1 ALA 56 HB1 ALA 56 -10.801 -4.107 -13.128 411 HB2 ALA 56 HB2 ALA 56 -10.294 -4.711 -14.705 412 HB3 ALA 56 HB3 ALA 56 -9.267 -3.582 -13.822 413 H VAL 57 HN VAL 57 -11.155 -1.442 -12.510 414 HA VAL 57 HA VAL 57 -13.831 -2.077 -11.836 415 HB VAL 57 HB VAL 57 -12.153 0.195 -10.799 416 HG11 VAL 57 HG11 VAL 57 -13.923 -0.827 -8.844 417 HG12 VAL 57 HG12 VAL 57 -13.920 0.774 -9.586 418 HG13 VAL 57 HG13 VAL 57 -14.862 -0.531 -10.308 419 HG21 VAL 57 HG21 VAL 57 -11.583 -1.311 -8.953 420 HG22 VAL 57 HG22 VAL 57 -12.477 -2.609 -9.743 421 HG23 VAL 57 HG23 VAL 57 -11.031 -1.946 -10.503 422 H ALA 58 HN ALA 58 -12.337 0.811 -13.288 423 HA ALA 58 HA ALA 58 -14.707 2.331 -13.435 424 HB1 ALA 58 HB1 ALA 58 -13.092 3.798 -13.898 425 HB2 ALA 58 HB2 ALA 58 -11.988 2.532 -14.439 426 HB3 ALA 58 HB3 ALA 58 -13.179 3.199 -15.554 427 H GLY 59 HN GLY 59 -13.306 -0.074 -15.552 428 HA2 GLY 59 HA1 GLY 59 -15.128 0.437 -17.723 429 HA3 GLY 59 HA2 GLY 59 -13.993 -0.899 -17.603 430 H LEU 60 HN LEU 60 -15.277 -1.357 -14.822 431 HA LEU 60 HA LEU 60 -17.213 -3.271 -15.780 432 HB2 LEU 60 HB2 LEU 60 -15.598 -2.903 -13.426 433 HB3 LEU 60 HB3 LEU 60 -17.257 -3.255 -12.985 434 HG LEU 60 HG LEU 60 -15.717 -4.974 -14.918 435 HD11 LEU 60 HD11 LEU 60 -15.977 -6.204 -12.375 436 HD12 LEU 60 HD12 LEU 60 -14.505 -5.816 -13.267 437 HD13 LEU 60 HD13 LEU 60 -15.199 -4.636 -12.154 438 HD21 LEU 60 HD21 LEU 60 -18.135 -5.218 -14.952 439 HD22 LEU 60 HD22 LEU 60 -17.377 -6.648 -14.252 440 HD23 LEU 60 HD23 LEU 60 -18.149 -5.457 -13.205 441 H GLY 61 HN GLY 61 -17.543 -0.195 -15.534 442 HA2 GLY 61 HA1 GLY 61 -19.607 0.945 -15.641 443 HA3 GLY 61 HA2 GLY 61 -20.345 -0.349 -14.710 444 H TYR 62 HN TYR 62 -17.609 0.160 -13.117 445 HA TYR 62 HA TYR 62 -18.922 1.944 -11.203 446 HB2 TYR 62 HB2 TYR 62 -16.416 0.336 -10.732 447 HB3 TYR 62 HB3 TYR 62 -17.512 1.010 -9.538 448 HD1 TYR 62 HD2 TYR 62 -20.127 0.097 -10.340 449 HD2 TYR 62 HD1 TYR 62 -16.405 -1.950 -10.522 450 HE1 TYR 62 HE2 TYR 62 -21.308 -2.053 -10.190 451 HE2 TYR 62 HE1 TYR 62 -17.574 -4.106 -10.371 452 HH TYR 62 HH TYR 62 -20.725 -4.416 -9.382 453 H LYS 63 HN LYS 63 -16.822 2.933 -9.804 454 HA LYS 63 HA LYS 63 -15.088 4.274 -11.762 455 HB2 LYS 63 HB2 LYS 63 -16.676 5.554 -9.530 456 HB3 LYS 63 HB3 LYS 63 -15.297 6.343 -10.282 457 HG2 LYS 63 HG2 LYS 63 -16.717 7.192 -11.754 458 HG3 LYS 63 HG3 LYS 63 -16.889 5.565 -12.419 459 HD2 LYS 63 HD2 LYS 63 -18.874 5.179 -11.313 460 HD3 LYS 63 HD3 LYS 63 -18.516 6.351 -10.043 461 HE2 LYS 63 HE2 LYS 63 -19.298 8.107 -11.253 462 HE3 LYS 63 HE3 LYS 63 -18.797 7.404 -12.792 463 HZ1 LYS 63 HZ1 LYS 63 -21.114 6.468 -11.187 464 HZ2 LYS 63 HZ2 LYS 63 -20.669 5.929 -12.735 465 HZ3 LYS 63 HZ3 LYS 63 -21.227 7.514 -12.515 466 H ALA 64 HN ALA 64 -13.045 3.762 -11.263 467 HA ALA 64 HA ALA 64 -12.413 3.216 -8.446 468 HB1 ALA 64 HB1 ALA 64 -11.924 1.617 -10.513 469 HB2 ALA 64 HB2 ALA 64 -10.453 2.590 -10.579 470 HB3 ALA 64 HB3 ALA 64 -10.857 1.702 -9.110 471 H THR 65 HN THR 65 -10.677 4.158 -7.442 472 HA THR 65 HA THR 65 -9.122 6.158 -8.921 473 HB THR 65 HB THR 65 -9.379 7.113 -6.261 474 HG1 THR 65 HG1 THR 65 -11.783 6.196 -7.403 475 HG21 THR 65 HG21 THR 65 -10.839 8.342 -8.560 476 HG22 THR 65 HG22 THR 65 -9.078 8.254 -8.596 477 HG23 THR 65 HG23 THR 65 -9.891 9.118 -7.289 478 H LEU 66 HN LEU 66 -7.453 6.935 -6.804 479 HA LEU 66 HA LEU 66 -6.524 4.528 -5.509 480 HB2 LEU 66 HB2 LEU 66 -4.265 4.643 -6.484 481 HB3 LEU 66 HB3 LEU 66 -5.501 4.230 -7.657 482 HG LEU 66 HG LEU 66 -5.089 7.079 -7.648 483 HD11 LEU 66 HD11 LEU 66 -2.648 5.341 -7.833 484 HD12 LEU 66 HD12 LEU 66 -2.749 6.892 -8.668 485 HD13 LEU 66 HD13 LEU 66 -2.881 6.826 -6.910 486 HD21 LEU 66 HD21 LEU 66 -4.429 6.487 -10.053 487 HD22 LEU 66 HD22 LEU 66 -4.843 4.830 -9.618 488 HD23 LEU 66 HD23 LEU 66 -6.067 6.097 -9.530 489 H ALA 67 HN ALA 67 -5.581 4.942 -3.654 490 HA ALA 67 HA ALA 67 -4.386 7.589 -3.196 491 HB1 ALA 67 HB1 ALA 67 -5.511 6.359 -0.800 492 HB2 ALA 67 HB2 ALA 67 -5.655 8.013 -1.392 493 HB3 ALA 67 HB3 ALA 67 -6.732 6.760 -2.009 494 H ASP 68 HN ASP 68 -2.274 7.192 -3.029 495 HA ASP 68 HA ASP 68 -1.206 4.633 -2.704 496 HB2 ASP 68 HB2 ASP 68 -0.163 6.672 -3.834 497 HB3 ASP 68 HB3 ASP 68 0.341 7.167 -2.223 498 H ALA 69 HN ALA 69 -1.993 7.056 -0.359 499 HA ALA 69 HA ALA 69 -0.808 5.367 1.737 500 HB1 ALA 69 HB1 ALA 69 0.027 7.912 1.117 501 HB2 ALA 69 HB2 ALA 69 -1.079 8.172 2.464 502 HB3 ALA 69 HB3 ALA 69 0.294 7.082 2.648 Start of MODEL 6 1 H1 MET 1 H1 MET 1 2.574 -1.023 -0.874 2 H2 MET 1 H2 MET 1 2.241 -0.628 0.743 3 H3 MET 1 H3 MET 1 1.708 0.386 -0.510 4 HA MET 1 HA MET 1 0.824 -2.349 -0.707 5 HB2 MET 1 HB2 MET 1 0.724 -1.815 1.772 6 HB3 MET 1 HB3 MET 1 -0.433 -0.552 1.369 7 HG2 MET 1 HG2 MET 1 -1.323 -2.822 2.134 8 HG3 MET 1 HG3 MET 1 -2.058 -2.067 0.721 9 HE1 MET 1 HE1 MET 1 -1.395 -5.939 1.381 10 HE2 MET 1 HE2 MET 1 -2.593 -4.656 1.558 11 HE3 MET 1 HE3 MET 1 -2.543 -5.621 0.081 12 H THR 2 HN THR 2 -0.552 -2.343 -2.340 13 HA THR 2 HA THR 2 -1.435 0.166 -3.447 14 HB THR 2 HB THR 2 -2.359 -2.466 -4.510 15 HG1 THR 2 HG1 THR 2 0.303 -1.441 -4.745 16 HG21 THR 2 HG21 THR 2 -1.166 -0.146 -6.002 17 HG22 THR 2 HG22 THR 2 -2.856 -0.144 -5.499 18 HG23 THR 2 HG23 THR 2 -2.262 -1.392 -6.596 19 H HIS 3 HN HIS 3 -3.283 1.124 -2.943 20 HA HIS 3 HA HIS 3 -5.554 -0.561 -2.138 21 HB2 HIS 3 HB2 HIS 3 -5.120 2.343 -1.436 22 HB3 HIS 3 HB3 HIS 3 -6.417 1.311 -0.870 23 HD1 HIS 3 HD1 HIS 3 -3.307 2.656 0.234 24 HD2 HIS 3 HD2 HIS 3 -5.231 -1.013 0.668 25 HE1 HIS 3 HE1 HIS 3 -2.218 1.546 2.205 26 HE2 HIS 3 HE2 HIS 3 -3.503 -0.595 2.552 27 H LEU 4 HN LEU 4 -7.362 -0.385 -3.314 28 HA LEU 4 HA LEU 4 -7.387 1.642 -5.450 29 HB2 LEU 4 HB2 LEU 4 -7.996 -1.163 -5.448 30 HB3 LEU 4 HB3 LEU 4 -9.408 -0.256 -5.935 31 HG LEU 4 HG LEU 4 -7.827 0.931 -7.593 32 HD11 LEU 4 HD11 LEU 4 -6.129 -1.290 -6.583 33 HD12 LEU 4 HD12 LEU 4 -6.054 -0.888 -8.299 34 HD13 LEU 4 HD13 LEU 4 -5.681 0.340 -7.089 35 HD21 LEU 4 HD21 LEU 4 -9.629 -0.857 -8.012 36 HD22 LEU 4 HD22 LEU 4 -8.417 -0.579 -9.262 37 HD23 LEU 4 HD23 LEU 4 -8.275 -1.972 -8.189 38 H LYS 5 HN LYS 5 -9.109 2.967 -5.652 39 HA LYS 5 HA LYS 5 -10.820 3.056 -3.271 40 HB2 LYS 5 HB2 LYS 5 -9.393 5.041 -4.681 41 HB3 LYS 5 HB3 LYS 5 -11.098 5.400 -4.882 42 HG2 LYS 5 HG2 LYS 5 -9.685 4.994 -2.253 43 HG3 LYS 5 HG3 LYS 5 -10.137 6.549 -2.951 44 HD2 LYS 5 HD2 LYS 5 -12.155 4.392 -2.381 45 HD3 LYS 5 HD3 LYS 5 -11.683 5.585 -1.169 46 HE2 LYS 5 HE2 LYS 5 -12.253 6.987 -3.555 47 HE3 LYS 5 HE3 LYS 5 -13.561 5.832 -3.309 48 HZ1 LYS 5 HZ1 LYS 5 -13.333 6.818 -0.854 49 HZ2 LYS 5 HZ2 LYS 5 -14.349 7.500 -2.036 50 HZ3 LYS 5 HZ3 LYS 5 -12.824 8.171 -1.747 51 H ILE 6 HN ILE 6 -12.854 2.665 -3.364 52 HA ILE 6 HA ILE 6 -14.111 2.084 -5.907 53 HB ILE 6 HB ILE 6 -14.720 1.512 -3.050 54 HG12 ILE 6 HG12 ILE 6 -15.533 -0.643 -4.233 55 HG13 ILE 6 HG13 ILE 6 -14.778 0.039 -5.670 56 HG21 ILE 6 HG21 ILE 6 -16.745 2.702 -3.726 57 HG22 ILE 6 HG22 ILE 6 -16.914 1.626 -5.112 58 HG23 ILE 6 HG23 ILE 6 -17.056 0.983 -3.477 59 HD11 ILE 6 HD11 ILE 6 -12.636 0.035 -4.622 60 HD12 ILE 6 HD12 ILE 6 -13.340 -0.430 -3.073 61 HD13 ILE 6 HD13 ILE 6 -13.357 -1.562 -4.425 62 H THR 7 HN THR 7 -15.272 3.540 -7.008 63 HA THR 7 HA THR 7 -16.350 5.851 -5.526 64 HB THR 7 HB THR 7 -15.823 6.341 -8.359 65 HG1 THR 7 HG1 THR 7 -13.911 5.080 -6.929 66 HG21 THR 7 HG21 THR 7 -15.317 8.448 -7.626 67 HG22 THR 7 HG22 THR 7 -14.537 7.871 -6.154 68 HG23 THR 7 HG23 THR 7 -16.296 7.905 -6.263 69 H GLY 8 HN GLY 8 -18.364 6.624 -6.175 70 HA2 GLY 8 HA1 GLY 8 -20.431 6.515 -7.272 71 HA3 GLY 8 HA2 GLY 8 -19.852 5.130 -8.192 72 H MET 9 HN MET 9 -19.075 3.370 -6.387 73 HA MET 9 HA MET 9 -21.497 2.623 -4.987 74 HB2 MET 9 HB2 MET 9 -18.916 1.087 -4.955 75 HB3 MET 9 HB3 MET 9 -20.556 0.497 -4.745 76 HG2 MET 9 HG2 MET 9 -21.047 0.680 -6.988 77 HG3 MET 9 HG3 MET 9 -19.696 1.765 -7.300 78 HE1 MET 9 HE1 MET 9 -16.627 -0.372 -6.916 79 HE2 MET 9 HE2 MET 9 -17.161 0.517 -8.341 80 HE3 MET 9 HE3 MET 9 -17.399 1.203 -6.734 81 H THR 10 HN THR 10 -21.447 2.032 -2.653 82 HA THR 10 HA THR 10 -19.246 3.260 -1.155 83 HB THR 10 HB THR 10 -21.819 3.848 0.022 84 HG1 THR 10 HG1 THR 10 -22.796 4.751 -1.599 85 HG21 THR 10 HG21 THR 10 -20.861 6.093 0.216 86 HG22 THR 10 HG22 THR 10 -19.538 5.623 -0.851 87 HG23 THR 10 HG23 THR 10 -19.705 4.866 0.734 88 H CYS 11 HN CYS 11 -20.219 0.426 -1.518 89 HA CYS 11 HA CYS 11 -20.451 -0.244 1.295 90 HB2 CYS 11 HB2 CYS 11 -22.516 -1.545 0.980 91 HB3 CYS 11 HB3 CYS 11 -22.760 0.182 0.739 92 HG CYS 11 HG CYS 11 -24.291 -1.375 -1.092 93 H ASP 12 HN ASP 12 -20.267 -2.465 1.763 94 HA ASP 12 HA ASP 12 -18.418 -3.980 0.408 95 HB2 ASP 12 HB2 ASP 12 -18.668 -4.917 2.440 96 HB3 ASP 12 HB3 ASP 12 -20.348 -4.415 2.570 97 H SER 13 HN SER 13 -21.927 -3.982 -0.007 98 HA SER 13 HA SER 13 -22.187 -6.303 -1.534 99 HB2 SER 13 HB2 SER 13 -23.997 -4.142 -2.335 100 HB3 SER 13 HB3 SER 13 -24.362 -5.704 -1.596 101 HG SER 13 HG SER 13 -23.874 -4.833 0.425 102 H CYS 14 HN CYS 14 -21.076 -3.141 -2.372 103 HA CYS 14 HA CYS 14 -21.022 -3.753 -5.223 104 HB2 CYS 14 HB2 CYS 14 -20.449 -1.283 -3.590 105 HB3 CYS 14 HB3 CYS 14 -20.138 -1.351 -5.320 106 HG CYS 14 HG CYS 14 -22.777 -0.307 -3.971 107 H ALA 15 HN ALA 15 -18.910 -3.097 -2.498 108 HA ALA 15 HA ALA 15 -16.439 -3.040 -3.809 109 HB1 ALA 15 HB1 ALA 15 -16.879 -2.306 -1.479 110 HB2 ALA 15 HB2 ALA 15 -16.983 -4.002 -1.007 111 HB3 ALA 15 HB3 ALA 15 -15.468 -3.354 -1.636 112 H ALA 16 HN ALA 16 -18.454 -5.704 -2.823 113 HA ALA 16 HA ALA 16 -16.543 -7.763 -2.858 114 HB1 ALA 16 HB1 ALA 16 -19.125 -8.659 -3.792 115 HB2 ALA 16 HB2 ALA 16 -18.289 -9.014 -2.280 116 HB3 ALA 16 HB3 ALA 16 -19.286 -7.565 -2.417 117 H HIS 17 HN HIS 17 -18.553 -6.390 -5.424 118 HA HIS 17 HA HIS 17 -17.793 -8.248 -7.416 119 HB2 HIS 17 HB2 HIS 17 -19.637 -6.227 -7.272 120 HB3 HIS 17 HB3 HIS 17 -18.441 -5.549 -8.374 121 HD1 HIS 17 HD1 HIS 17 -20.465 -5.786 -10.162 122 HD2 HIS 17 HD2 HIS 17 -18.763 -9.331 -8.786 123 HE1 HIS 17 HE1 HIS 17 -21.146 -7.560 -11.810 124 HE2 HIS 17 HE2 HIS 17 -20.049 -9.682 -11.006 125 H VAL 18 HN VAL 18 -16.497 -5.133 -6.411 126 HA VAL 18 HA VAL 18 -14.534 -4.880 -8.422 127 HB VAL 18 HB VAL 18 -14.433 -3.841 -5.585 128 HG11 VAL 18 HG11 VAL 18 -12.566 -2.739 -6.112 129 HG12 VAL 18 HG12 VAL 18 -12.456 -3.810 -7.508 130 HG13 VAL 18 HG13 VAL 18 -13.214 -2.226 -7.669 131 HG21 VAL 18 HG21 VAL 18 -16.469 -3.100 -6.602 132 HG22 VAL 18 HG22 VAL 18 -15.335 -1.749 -6.589 133 HG23 VAL 18 HG23 VAL 18 -15.622 -2.645 -8.081 134 H LYS 19 HN LYS 19 -14.466 -6.269 -5.167 135 HA LYS 19 HA LYS 19 -11.790 -7.087 -5.144 136 HB2 LYS 19 HB2 LYS 19 -13.270 -7.048 -3.156 137 HB3 LYS 19 HB3 LYS 19 -14.160 -8.416 -3.809 138 HG2 LYS 19 HG2 LYS 19 -12.066 -9.746 -3.720 139 HG3 LYS 19 HG3 LYS 19 -11.287 -8.380 -2.917 140 HD2 LYS 19 HD2 LYS 19 -12.173 -8.946 -0.951 141 HD3 LYS 19 HD3 LYS 19 -13.794 -9.030 -1.644 142 HE2 LYS 19 HE2 LYS 19 -13.551 -11.201 -0.995 143 HE3 LYS 19 HE3 LYS 19 -12.870 -11.308 -2.618 144 HZ1 LYS 19 HZ1 LYS 19 -11.008 -12.053 -1.716 145 HZ2 LYS 19 HZ2 LYS 19 -11.622 -11.839 -0.146 146 HZ3 LYS 19 HZ3 LYS 19 -10.802 -10.573 -0.916 147 H GLU 20 HN GLU 20 -14.703 -8.689 -6.331 148 HA GLU 20 HA GLU 20 -13.511 -11.139 -7.023 149 HB2 GLU 20 HB2 GLU 20 -16.058 -9.905 -7.267 150 HB3 GLU 20 HB3 GLU 20 -15.610 -10.512 -8.856 151 HG2 GLU 20 HG2 GLU 20 -15.513 -12.712 -8.122 152 HG3 GLU 20 HG3 GLU 20 -15.400 -12.241 -6.425 153 H ALA 21 HN ALA 21 -13.997 -8.164 -8.857 154 HA ALA 21 HA ALA 21 -13.029 -9.104 -11.327 155 HB1 ALA 21 HB1 ALA 21 -14.043 -6.714 -10.377 156 HB2 ALA 21 HB2 ALA 21 -12.381 -6.318 -10.817 157 HB3 ALA 21 HB3 ALA 21 -13.465 -7.025 -12.015 158 H LEU 22 HN LEU 22 -11.455 -7.721 -8.517 159 HA LEU 22 HA LEU 22 -8.844 -7.587 -9.624 160 HB2 LEU 22 HB2 LEU 22 -9.960 -7.521 -6.847 161 HB3 LEU 22 HB3 LEU 22 -8.231 -7.664 -7.091 162 HG LEU 22 HG LEU 22 -9.637 -5.469 -8.525 163 HD11 LEU 22 HD11 LEU 22 -8.776 -4.531 -5.970 164 HD12 LEU 22 HD12 LEU 22 -10.365 -4.407 -6.723 165 HD13 LEU 22 HD13 LEU 22 -9.959 -5.821 -5.749 166 HD21 LEU 22 HD21 LEU 22 -6.977 -5.701 -7.122 167 HD22 LEU 22 HD22 LEU 22 -7.257 -5.843 -8.857 168 HD23 LEU 22 HD23 LEU 22 -7.538 -4.304 -8.042 169 H GLU 23 HN GLU 23 -10.524 -9.969 -7.611 170 HA GLU 23 HA GLU 23 -8.285 -11.712 -7.386 171 HB2 GLU 23 HB2 GLU 23 -11.140 -11.771 -6.626 172 HB3 GLU 23 HB3 GLU 23 -10.364 -13.334 -6.832 173 HG2 GLU 23 HG2 GLU 23 -8.598 -12.616 -5.257 174 HG3 GLU 23 HG3 GLU 23 -9.499 -11.125 -4.988 175 H LYS 24 HN LYS 24 -10.516 -11.157 -9.897 176 HA LYS 24 HA LYS 24 -10.340 -13.722 -11.147 177 HB2 LYS 24 HB2 LYS 24 -12.128 -12.079 -11.675 178 HB3 LYS 24 HB3 LYS 24 -10.919 -11.016 -12.383 179 HG2 LYS 24 HG2 LYS 24 -10.397 -12.841 -14.016 180 HG3 LYS 24 HG3 LYS 24 -11.790 -13.718 -13.380 181 HD2 LYS 24 HD2 LYS 24 -13.030 -12.610 -14.866 182 HD3 LYS 24 HD3 LYS 24 -12.755 -11.164 -13.893 183 HE2 LYS 24 HE2 LYS 24 -12.203 -10.745 -16.225 184 HE3 LYS 24 HE3 LYS 24 -10.757 -10.658 -15.223 185 HZ1 LYS 24 HZ1 LYS 24 -10.010 -12.723 -16.011 186 HZ2 LYS 24 HZ2 LYS 24 -10.558 -11.908 -17.390 187 HZ3 LYS 24 HZ3 LYS 24 -11.516 -13.121 -16.689 188 H VAL 25 HN VAL 25 -8.380 -10.908 -10.968 189 HA VAL 25 HA VAL 25 -6.651 -11.658 -13.167 190 HB VAL 25 HB VAL 25 -6.514 -9.428 -11.132 191 HG11 VAL 25 HG11 VAL 25 -4.541 -8.675 -11.982 192 HG12 VAL 25 HG12 VAL 25 -4.305 -10.404 -12.247 193 HG13 VAL 25 HG13 VAL 25 -4.832 -9.371 -13.576 194 HG21 VAL 25 HG21 VAL 25 -8.314 -9.243 -12.794 195 HG22 VAL 25 HG22 VAL 25 -7.095 -7.984 -12.998 196 HG23 VAL 25 HG23 VAL 25 -7.121 -9.372 -14.086 197 HA PRO 26 HA PRO 26 -4.321 -14.337 -10.451 198 HB2 PRO 26 HB2 PRO 26 -2.400 -15.018 -12.243 199 HB3 PRO 26 HB3 PRO 26 -4.030 -15.700 -12.272 200 HG2 PRO 26 HG2 PRO 26 -2.877 -13.480 -13.915 201 HG3 PRO 26 HG3 PRO 26 -3.919 -14.823 -14.421 202 HD2 PRO 26 HD2 PRO 26 -4.869 -12.329 -13.979 203 HD3 PRO 26 HD3 PRO 26 -5.834 -13.785 -13.662 204 H GLY 27 HN GLY 27 -3.325 -11.366 -11.729 205 HA2 GLY 27 HA1 GLY 27 -0.629 -11.416 -10.694 206 HA3 GLY 27 HA2 GLY 27 -1.472 -10.020 -11.348 207 H VAL 28 HN VAL 28 -3.693 -11.007 -9.339 208 HA VAL 28 HA VAL 28 -2.752 -9.339 -7.144 209 HB VAL 28 HB VAL 28 -5.469 -10.571 -7.641 210 HG11 VAL 28 HG11 VAL 28 -5.335 -10.210 -5.324 211 HG12 VAL 28 HG12 VAL 28 -4.447 -8.699 -5.522 212 HG13 VAL 28 HG13 VAL 28 -6.157 -8.780 -5.947 213 HG21 VAL 28 HG21 VAL 28 -4.198 -8.075 -8.540 214 HG22 VAL 28 HG22 VAL 28 -5.533 -8.990 -9.241 215 HG23 VAL 28 HG23 VAL 28 -5.826 -7.901 -7.885 216 H GLN 29 HN GLN 29 -1.810 -10.246 -5.452 217 HA GLN 29 HA GLN 29 -1.822 -13.103 -5.104 218 HB2 GLN 29 HB2 GLN 29 -0.034 -11.094 -4.531 219 HB3 GLN 29 HB3 GLN 29 -0.668 -11.499 -2.942 220 HG2 GLN 29 HG2 GLN 29 0.946 -13.041 -2.954 221 HG3 GLN 29 HG3 GLN 29 -0.191 -13.965 -3.930 222 HE21 GLN 29 HE21 GLN 29 2.388 -11.559 -4.229 223 HE22 GLN 29 HE22 GLN 29 3.048 -12.202 -5.700 224 H SER 30 HN SER 30 -3.107 -10.295 -3.391 225 HA SER 30 HA SER 30 -5.144 -11.959 -2.178 226 HB2 SER 30 HB2 SER 30 -3.975 -10.235 -0.127 227 HB3 SER 30 HB3 SER 30 -4.438 -11.932 -0.033 228 HG SER 30 HG SER 30 -2.424 -12.368 -1.181 229 H ALA 31 HN ALA 31 -7.021 -10.855 -2.033 230 HA ALA 31 HA ALA 31 -6.897 -7.920 -2.248 231 HB1 ALA 31 HB1 ALA 31 -8.105 -7.911 -4.121 232 HB2 ALA 31 HB2 ALA 31 -7.827 -9.651 -4.214 233 HB3 ALA 31 HB3 ALA 31 -9.288 -9.031 -3.444 234 H LEU 32 HN LEU 32 -7.493 -7.266 -0.273 235 HA LEU 32 HA LEU 32 -9.931 -8.450 0.890 236 HB2 LEU 32 HB2 LEU 32 -7.955 -6.877 2.496 237 HB3 LEU 32 HB3 LEU 32 -9.098 -8.092 3.036 238 HG LEU 32 HG LEU 32 -7.074 -9.158 1.219 239 HD11 LEU 32 HD11 LEU 32 -5.157 -8.829 2.436 240 HD12 LEU 32 HD12 LEU 32 -5.945 -7.264 2.636 241 HD13 LEU 32 HD13 LEU 32 -6.031 -8.467 3.924 242 HD21 LEU 32 HD21 LEU 32 -8.011 -9.872 3.993 243 HD22 LEU 32 HD22 LEU 32 -8.573 -10.575 2.477 244 HD23 LEU 32 HD23 LEU 32 -6.914 -10.844 3.011 245 H VAL 33 HN VAL 33 -11.607 -7.146 0.449 246 HA VAL 33 HA VAL 33 -11.110 -4.308 0.054 247 HB VAL 33 HB VAL 33 -12.599 -5.794 -1.457 248 HG11 VAL 33 HG11 VAL 33 -14.076 -6.793 0.089 249 HG12 VAL 33 HG12 VAL 33 -14.473 -5.240 0.825 250 HG13 VAL 33 HG13 VAL 33 -15.030 -5.609 -0.807 251 HG21 VAL 33 HG21 VAL 33 -14.209 -3.753 -1.695 252 HG22 VAL 33 HG22 VAL 33 -13.110 -3.013 -0.531 253 HG23 VAL 33 HG23 VAL 33 -12.495 -3.596 -2.078 254 H SER 34 HN SER 34 -12.208 -2.655 1.148 255 HA SER 34 HA SER 34 -13.248 -3.459 3.784 256 HB2 SER 34 HB2 SER 34 -12.097 -0.750 3.526 257 HB3 SER 34 HB3 SER 34 -11.914 -1.939 4.817 258 HG SER 34 HG SER 34 -10.610 -3.073 3.025 259 H TYR 35 HN TYR 35 -15.380 -3.316 3.545 260 HA TYR 35 HA TYR 35 -16.866 -1.557 2.001 261 HB2 TYR 35 HB2 TYR 35 -18.242 -3.172 2.750 262 HB3 TYR 35 HB3 TYR 35 -17.378 -3.354 4.264 263 HD1 TYR 35 HD1 TYR 35 -19.549 -0.812 2.602 264 HD2 TYR 35 HD2 TYR 35 -18.606 -2.902 6.186 265 HE1 TYR 35 HE1 TYR 35 -21.383 0.344 3.751 266 HE2 TYR 35 HE2 TYR 35 -20.444 -1.751 7.345 267 HH TYR 35 HH TYR 35 -22.843 -0.011 5.690 268 HA PRO 36 HA PRO 36 -17.410 1.400 5.774 269 HB2 PRO 36 HB2 PRO 36 -15.568 1.355 7.760 270 HB3 PRO 36 HB3 PRO 36 -17.022 0.351 7.778 271 HG2 PRO 36 HG2 PRO 36 -14.232 -0.378 6.966 272 HG3 PRO 36 HG3 PRO 36 -15.369 -1.280 7.988 273 HD2 PRO 36 HD2 PRO 36 -14.987 -1.885 5.389 274 HD3 PRO 36 HD3 PRO 36 -16.569 -2.062 6.176 275 H LYS 37 HN LYS 37 -14.423 0.679 4.274 276 HA LYS 37 HA LYS 37 -13.480 3.436 4.632 277 HB2 LYS 37 HB2 LYS 37 -12.105 1.121 4.970 278 HB3 LYS 37 HB3 LYS 37 -11.722 1.482 3.293 279 HG2 LYS 37 HG2 LYS 37 -10.002 2.489 4.483 280 HG3 LYS 37 HG3 LYS 37 -11.108 3.823 4.143 281 HD2 LYS 37 HD2 LYS 37 -11.962 3.797 6.349 282 HD3 LYS 37 HD3 LYS 37 -11.189 2.251 6.708 283 HE2 LYS 37 HE2 LYS 37 -9.729 3.682 7.734 284 HE3 LYS 37 HE3 LYS 37 -8.999 3.592 6.132 285 HZ1 LYS 37 HZ1 LYS 37 -9.712 5.869 7.435 286 HZ2 LYS 37 HZ2 LYS 37 -10.986 5.654 6.333 287 HZ3 LYS 37 HZ3 LYS 37 -9.383 5.739 5.777 288 H GLY 38 HN GLY 38 -14.930 1.326 2.401 289 HA2 GLY 38 HA1 GLY 38 -15.505 1.557 0.189 290 HA3 GLY 38 HA2 GLY 38 -15.093 3.259 0.350 291 H THR 39 HN THR 39 -12.767 0.779 1.052 292 HA THR 39 HA THR 39 -11.382 1.364 -1.474 293 HB THR 39 HB THR 39 -9.472 0.968 0.639 294 HG1 THR 39 HG1 THR 39 -11.497 2.908 1.073 295 HG21 THR 39 HG21 THR 39 -10.018 2.837 -1.558 296 HG22 THR 39 HG22 THR 39 -8.493 2.132 -1.017 297 HG23 THR 39 HG23 THR 39 -9.155 3.543 -0.191 298 H ALA 40 HN ALA 40 -9.738 -0.223 -2.022 299 HA ALA 40 HA ALA 40 -10.271 -2.863 -0.826 300 HB1 ALA 40 HB1 ALA 40 -9.076 -3.285 -3.307 301 HB2 ALA 40 HB2 ALA 40 -10.779 -3.508 -2.899 302 HB3 ALA 40 HB3 ALA 40 -10.226 -1.975 -3.573 303 H GLN 41 HN GLN 41 -8.647 -3.760 0.219 304 HA GLN 41 HA GLN 41 -5.946 -2.694 -0.064 305 HB2 GLN 41 HB2 GLN 41 -6.727 -2.935 2.200 306 HB3 GLN 41 HB3 GLN 41 -7.244 -4.588 1.906 307 HG2 GLN 41 HG2 GLN 41 -5.284 -5.339 2.579 308 HG3 GLN 41 HG3 GLN 41 -4.471 -4.399 1.328 309 HE21 GLN 41 HE21 GLN 41 -5.235 -4.648 4.658 310 HE22 GLN 41 HE22 GLN 41 -4.357 -3.258 5.190 311 H LEU 42 HN LEU 42 -4.983 -3.548 -1.847 312 HA LEU 42 HA LEU 42 -5.185 -6.460 -2.189 313 HB2 LEU 42 HB2 LEU 42 -4.911 -5.980 -4.659 314 HB3 LEU 42 HB3 LEU 42 -6.459 -5.586 -3.942 315 HG LEU 42 HG LEU 42 -4.741 -3.286 -3.831 316 HD11 LEU 42 HD11 LEU 42 -5.109 -4.520 -6.558 317 HD12 LEU 42 HD12 LEU 42 -4.548 -2.877 -6.245 318 HD13 LEU 42 HD13 LEU 42 -3.578 -4.255 -5.725 319 HD21 LEU 42 HD21 LEU 42 -7.323 -3.936 -5.235 320 HD22 LEU 42 HD22 LEU 42 -7.116 -3.113 -3.688 321 HD23 LEU 42 HD23 LEU 42 -6.606 -2.326 -5.183 322 H ALA 43 HN ALA 43 -3.377 -7.538 -2.278 323 HA ALA 43 HA ALA 43 -0.848 -6.091 -2.666 324 HB1 ALA 43 HB1 ALA 43 0.125 -7.541 -1.240 325 HB2 ALA 43 HB2 ALA 43 -1.525 -7.908 -0.739 326 HB3 ALA 43 HB3 ALA 43 -0.715 -8.929 -1.929 327 H ILE 44 HN ILE 44 -0.117 -6.119 -4.690 328 HA ILE 44 HA ILE 44 -0.842 -8.417 -6.396 329 HB ILE 44 HB ILE 44 -0.471 -6.809 -8.322 330 HG12 ILE 44 HG12 ILE 44 -1.155 -4.486 -6.685 331 HG13 ILE 44 HG13 ILE 44 0.447 -5.123 -6.323 332 HG21 ILE 44 HG21 ILE 44 -2.702 -6.118 -8.319 333 HG22 ILE 44 HG22 ILE 44 -2.688 -7.558 -7.301 334 HG23 ILE 44 HG23 ILE 44 -2.743 -5.958 -6.562 335 HD11 ILE 44 HD11 ILE 44 0.700 -5.097 -8.928 336 HD12 ILE 44 HD12 ILE 44 -0.587 -3.895 -8.821 337 HD13 ILE 44 HD13 ILE 44 0.939 -3.633 -7.976 338 H VAL 45 HN VAL 45 0.695 -8.717 -8.261 339 HA VAL 45 HA VAL 45 3.419 -8.818 -7.268 340 HB VAL 45 HB VAL 45 2.355 -9.681 -9.968 341 HG11 VAL 45 HG11 VAL 45 4.822 -9.375 -9.750 342 HG12 VAL 45 HG12 VAL 45 4.814 -10.622 -8.503 343 HG13 VAL 45 HG13 VAL 45 4.327 -11.019 -10.151 344 HG21 VAL 45 HG21 VAL 45 1.106 -10.973 -8.491 345 HG22 VAL 45 HG22 VAL 45 2.493 -11.999 -8.853 346 HG23 VAL 45 HG23 VAL 45 2.429 -11.107 -7.333 347 HA PRO 46 HA PRO 46 4.660 -4.994 -9.247 348 HB2 PRO 46 HB2 PRO 46 7.349 -6.222 -9.284 349 HB3 PRO 46 HB3 PRO 46 6.807 -4.716 -8.534 350 HG2 PRO 46 HG2 PRO 46 7.390 -6.861 -7.049 351 HG3 PRO 46 HG3 PRO 46 6.047 -5.784 -6.625 352 HD2 PRO 46 HD2 PRO 46 5.975 -8.462 -7.969 353 HD3 PRO 46 HD3 PRO 46 4.909 -7.805 -6.709 354 H GLY 47 HN GLY 47 3.436 -6.112 -11.093 355 HA2 GLY 47 HA1 GLY 47 4.999 -5.909 -13.468 356 HA3 GLY 47 HA2 GLY 47 4.582 -7.586 -13.118 357 H THR 48 HN THR 48 2.079 -7.076 -11.892 358 HA THR 48 HA THR 48 0.379 -6.609 -14.144 359 HB THR 48 HB THR 48 -0.800 -6.518 -11.438 360 HG1 THR 48 HG1 THR 48 0.458 -8.898 -12.407 361 HG21 THR 48 HG21 THR 48 -2.358 -8.103 -12.413 362 HG22 THR 48 HG22 THR 48 -1.330 -8.276 -13.835 363 HG23 THR 48 HG23 THR 48 -2.129 -6.738 -13.506 364 H SER 49 HN SER 49 -0.512 -4.764 -14.777 365 HA SER 49 HA SER 49 0.299 -2.339 -13.531 366 HB2 SER 49 HB2 SER 49 -1.638 -1.725 -15.443 367 HB3 SER 49 HB3 SER 49 0.107 -1.774 -15.703 368 HG SER 49 HG SER 49 -0.195 -3.453 -16.920 369 HA PRO 50 HA PRO 50 -3.346 -2.404 -10.906 370 HB2 PRO 50 HB2 PRO 50 -2.616 -0.346 -9.287 371 HB3 PRO 50 HB3 PRO 50 -1.983 -1.986 -9.104 372 HG2 PRO 50 HG2 PRO 50 -0.724 0.401 -10.380 373 HG3 PRO 50 HG3 PRO 50 0.016 -0.857 -9.374 374 HD2 PRO 50 HD2 PRO 50 0.196 -0.782 -12.104 375 HD3 PRO 50 HD3 PRO 50 0.303 -2.273 -11.149 376 H ASP 51 HN ASP 51 -2.094 0.237 -12.763 377 HA ASP 51 HA ASP 51 -4.385 1.930 -12.445 378 HB2 ASP 51 HB2 ASP 51 -2.138 2.757 -13.174 379 HB3 ASP 51 HB3 ASP 51 -2.336 1.869 -14.679 380 H ALA 52 HN ALA 52 -3.533 -0.856 -14.225 381 HA ALA 52 HA ALA 52 -5.508 -0.542 -16.288 382 HB1 ALA 52 HB1 ALA 52 -3.646 -1.823 -16.948 383 HB2 ALA 52 HB2 ALA 52 -3.714 -2.818 -15.494 384 HB3 ALA 52 HB3 ALA 52 -4.952 -2.989 -16.739 385 H LEU 53 HN LEU 53 -5.203 -2.202 -13.225 386 HA LEU 53 HA LEU 53 -7.671 -3.592 -13.327 387 HB2 LEU 53 HB2 LEU 53 -6.345 -2.585 -10.816 388 HB3 LEU 53 HB3 LEU 53 -7.388 -3.980 -10.998 389 HG LEU 53 HG LEU 53 -4.688 -3.820 -12.315 390 HD11 LEU 53 HD11 LEU 53 -3.990 -5.328 -10.389 391 HD12 LEU 53 HD12 LEU 53 -4.142 -3.605 -10.046 392 HD13 LEU 53 HD13 LEU 53 -5.414 -4.720 -9.544 393 HD21 LEU 53 HD21 LEU 53 -4.988 -6.356 -12.077 394 HD22 LEU 53 HD22 LEU 53 -6.688 -5.991 -11.780 395 HD23 LEU 53 HD23 LEU 53 -5.939 -5.522 -13.306 396 H THR 54 HN THR 54 -6.668 -0.469 -12.057 397 HA THR 54 HA THR 54 -9.089 0.457 -11.055 398 HB THR 54 HB THR 54 -6.963 2.082 -12.474 399 HG1 THR 54 HG1 THR 54 -5.907 1.064 -10.835 400 HG21 THR 54 HG21 THR 54 -9.071 3.288 -12.054 401 HG22 THR 54 HG22 THR 54 -7.731 3.928 -11.103 402 HG23 THR 54 HG23 THR 54 -8.937 2.891 -10.341 403 H ALA 55 HN ALA 55 -7.726 0.804 -14.325 404 HA ALA 55 HA ALA 55 -9.979 2.123 -15.413 405 HB1 ALA 55 HB1 ALA 55 -7.784 2.223 -16.471 406 HB2 ALA 55 HB2 ALA 55 -7.862 0.496 -16.819 407 HB3 ALA 55 HB3 ALA 55 -8.996 1.604 -17.592 408 H ALA 56 HN ALA 56 -9.128 -1.265 -15.058 409 HA ALA 56 HA ALA 56 -11.148 -2.350 -16.699 410 HB1 ALA 56 HB1 ALA 56 -10.219 -3.774 -14.244 411 HB2 ALA 56 HB2 ALA 56 -10.561 -4.412 -15.852 412 HB3 ALA 56 HB3 ALA 56 -9.092 -3.479 -15.568 413 H VAL 57 HN VAL 57 -11.101 -1.568 -13.228 414 HA VAL 57 HA VAL 57 -13.757 -2.464 -12.762 415 HB VAL 57 HB VAL 57 -12.120 -0.510 -11.161 416 HG11 VAL 57 HG11 VAL 57 -14.801 -0.916 -10.936 417 HG12 VAL 57 HG12 VAL 57 -14.161 -2.111 -9.807 418 HG13 VAL 57 HG13 VAL 57 -13.746 -0.407 -9.616 419 HG21 VAL 57 HG21 VAL 57 -12.499 -3.168 -10.062 420 HG22 VAL 57 HG22 VAL 57 -11.646 -3.191 -11.605 421 HG23 VAL 57 HG23 VAL 57 -11.019 -2.231 -10.265 422 H ALA 58 HN ALA 58 -12.349 0.738 -13.444 423 HA ALA 58 HA ALA 58 -14.786 2.165 -13.369 424 HB1 ALA 58 HB1 ALA 58 -12.850 3.472 -13.289 425 HB2 ALA 58 HB2 ALA 58 -12.142 2.676 -14.694 426 HB3 ALA 58 HB3 ALA 58 -13.503 3.780 -14.898 427 H GLY 59 HN GLY 59 -13.432 0.041 -15.709 428 HA2 GLY 59 HA1 GLY 59 -15.287 0.905 -17.791 429 HA3 GLY 59 HA2 GLY 59 -14.041 -0.326 -17.949 430 H LEU 60 HN LEU 60 -15.646 -0.863 -15.107 431 HA LEU 60 HA LEU 60 -17.210 -3.002 -16.319 432 HB2 LEU 60 HB2 LEU 60 -15.800 -2.626 -13.826 433 HB3 LEU 60 HB3 LEU 60 -17.430 -3.208 -13.557 434 HG LEU 60 HG LEU 60 -15.790 -4.614 -15.597 435 HD11 LEU 60 HD11 LEU 60 -14.114 -5.020 -14.192 436 HD12 LEU 60 HD12 LEU 60 -14.973 -4.279 -12.841 437 HD13 LEU 60 HD13 LEU 60 -15.259 -5.971 -13.247 438 HD21 LEU 60 HD21 LEU 60 -18.066 -5.313 -15.241 439 HD22 LEU 60 HD22 LEU 60 -16.978 -6.557 -14.624 440 HD23 LEU 60 HD23 LEU 60 -17.789 -5.459 -13.505 441 H GLY 61 HN GLY 61 -17.799 0.034 -15.841 442 HA2 GLY 61 HA1 GLY 61 -19.967 0.996 -15.950 443 HA3 GLY 61 HA2 GLY 61 -20.608 -0.415 -15.121 444 H TYR 62 HN TYR 62 -17.971 0.174 -13.424 445 HA TYR 62 HA TYR 62 -19.339 1.963 -11.545 446 HB2 TYR 62 HB2 TYR 62 -16.978 0.185 -10.923 447 HB3 TYR 62 HB3 TYR 62 -18.089 0.947 -9.797 448 HD1 TYR 62 HD2 TYR 62 -20.666 0.233 -10.316 449 HD2 TYR 62 HD1 TYR 62 -17.202 -2.093 -11.149 450 HE1 TYR 62 HE2 TYR 62 -22.035 -1.805 -10.285 451 HE2 TYR 62 HE1 TYR 62 -18.563 -4.140 -11.122 452 HH TYR 62 HH TYR 62 -20.607 -4.987 -10.400 453 H LYS 63 HN LYS 63 -17.363 2.962 -10.051 454 HA LYS 63 HA LYS 63 -15.419 4.068 -11.955 455 HB2 LYS 63 HB2 LYS 63 -17.371 5.531 -10.707 456 HB3 LYS 63 HB3 LYS 63 -16.025 5.715 -9.593 457 HG2 LYS 63 HG2 LYS 63 -15.631 6.183 -12.516 458 HG3 LYS 63 HG3 LYS 63 -16.346 7.431 -11.492 459 HD2 LYS 63 HD2 LYS 63 -14.394 7.397 -10.047 460 HD3 LYS 63 HD3 LYS 63 -13.682 6.095 -11.005 461 HE2 LYS 63 HE2 LYS 63 -12.740 7.623 -12.312 462 HE3 LYS 63 HE3 LYS 63 -14.348 8.151 -12.809 463 HZ1 LYS 63 HZ1 LYS 63 -12.971 9.958 -11.910 464 HZ2 LYS 63 HZ2 LYS 63 -12.909 9.159 -10.414 465 HZ3 LYS 63 HZ3 LYS 63 -14.394 9.721 -11.014 466 H ALA 64 HN ALA 64 -13.367 3.637 -11.434 467 HA ALA 64 HA ALA 64 -12.797 3.013 -8.617 468 HB1 ALA 64 HB1 ALA 64 -11.192 1.900 -10.886 469 HB2 ALA 64 HB2 ALA 64 -11.324 1.321 -9.224 470 HB3 ALA 64 HB3 ALA 64 -12.675 1.115 -10.340 471 H THR 65 HN THR 65 -11.004 3.839 -7.703 472 HA THR 65 HA THR 65 -9.134 5.362 -9.385 473 HB THR 65 HB THR 65 -9.326 6.355 -6.637 474 HG1 THR 65 HG1 THR 65 -11.633 5.975 -8.024 475 HG21 THR 65 HG21 THR 65 -9.791 7.999 -9.086 476 HG22 THR 65 HG22 THR 65 -8.196 7.296 -8.819 477 HG23 THR 65 HG23 THR 65 -8.889 8.392 -7.623 478 H LEU 66 HN LEU 66 -7.293 5.932 -7.294 479 HA LEU 66 HA LEU 66 -6.723 3.411 -6.000 480 HB2 LEU 66 HB2 LEU 66 -5.262 2.618 -7.474 481 HB3 LEU 66 HB3 LEU 66 -5.659 3.938 -8.552 482 HG LEU 66 HG LEU 66 -3.807 4.976 -6.699 483 HD11 LEU 66 HD11 LEU 66 -2.692 3.162 -6.007 484 HD12 LEU 66 HD12 LEU 66 -3.369 2.138 -7.272 485 HD13 LEU 66 HD13 LEU 66 -1.989 3.178 -7.623 486 HD21 LEU 66 HD21 LEU 66 -2.354 4.662 -8.921 487 HD22 LEU 66 HD22 LEU 66 -3.964 4.383 -9.591 488 HD23 LEU 66 HD23 LEU 66 -3.604 5.895 -8.757 489 H ALA 67 HN ALA 67 -5.595 3.642 -4.205 490 HA ALA 67 HA ALA 67 -4.388 6.275 -3.655 491 HB1 ALA 67 HB1 ALA 67 -5.984 6.465 -2.089 492 HB2 ALA 67 HB2 ALA 67 -6.392 4.750 -2.161 493 HB3 ALA 67 HB3 ALA 67 -5.028 5.294 -1.183 494 H ASP 68 HN ASP 68 -2.301 5.743 -4.056 495 HA ASP 68 HA ASP 68 -1.071 3.343 -3.244 496 HB2 ASP 68 HB2 ASP 68 -0.119 4.595 -5.059 497 HB3 ASP 68 HB3 ASP 68 0.069 6.019 -4.043 498 H ALA 69 HN ALA 69 -0.160 2.772 -1.364 499 HA ALA 69 HA ALA 69 0.428 2.774 0.823 500 HB1 ALA 69 HB1 ALA 69 2.207 4.178 0.645 501 HB2 ALA 69 HB2 ALA 69 1.251 5.485 -0.052 502 HB3 ALA 69 HB3 ALA 69 1.187 5.174 1.682 Start of MODEL 7 1 H1 MET 1 H1 MET 1 3.222 -2.131 -2.787 2 H2 MET 1 H2 MET 1 3.029 -0.552 -3.373 3 H3 MET 1 H3 MET 1 2.041 -1.799 -3.958 4 HA MET 1 HA MET 1 1.045 -2.076 -1.792 5 HB2 MET 1 HB2 MET 1 3.218 -1.089 -0.713 6 HB3 MET 1 HB3 MET 1 2.389 0.452 -0.903 7 HG2 MET 1 HG2 MET 1 0.476 -1.165 0.245 8 HG3 MET 1 HG3 MET 1 1.970 -1.665 1.036 9 HE1 MET 1 HE1 MET 1 0.743 -1.166 3.022 10 HE2 MET 1 HE2 MET 1 2.074 -0.225 3.695 11 HE3 MET 1 HE3 MET 1 0.434 0.421 3.726 12 H THR 2 HN THR 2 -0.398 -1.584 -3.593 13 HA THR 2 HA THR 2 -1.121 1.249 -3.838 14 HB THR 2 HB THR 2 -2.379 -0.849 -5.544 15 HG1 THR 2 HG1 THR 2 0.325 0.052 -5.758 16 HG21 THR 2 HG21 THR 2 -3.138 1.195 -6.228 17 HG22 THR 2 HG22 THR 2 -1.676 1.107 -7.211 18 HG23 THR 2 HG23 THR 2 -1.671 2.032 -5.710 19 H HIS 3 HN HIS 3 -2.940 2.019 -2.973 20 HA HIS 3 HA HIS 3 -5.047 0.114 -2.218 21 HB2 HIS 3 HB2 HIS 3 -5.080 2.902 -1.158 22 HB3 HIS 3 HB3 HIS 3 -5.666 1.422 -0.429 23 HD1 HIS 3 HD1 HIS 3 -4.376 0.735 1.545 24 HD2 HIS 3 HD2 HIS 3 -2.051 2.878 -1.149 25 HE1 HIS 3 HE1 HIS 3 -2.116 0.958 2.626 26 HE2 HIS 3 HE2 HIS 3 -0.853 2.522 1.107 27 H LEU 4 HN LEU 4 -6.815 0.211 -3.402 28 HA LEU 4 HA LEU 4 -7.115 2.404 -5.309 29 HB2 LEU 4 HB2 LEU 4 -7.799 -0.437 -5.264 30 HB3 LEU 4 HB3 LEU 4 -9.107 0.571 -5.844 31 HG LEU 4 HG LEU 4 -7.185 1.592 -7.357 32 HD11 LEU 4 HD11 LEU 4 -5.275 0.475 -7.397 33 HD12 LEU 4 HD12 LEU 4 -5.874 -0.571 -6.110 34 HD13 LEU 4 HD13 LEU 4 -6.130 -1.014 -7.797 35 HD21 LEU 4 HD21 LEU 4 -8.377 0.655 -8.994 36 HD22 LEU 4 HD22 LEU 4 -7.973 -0.977 -8.461 37 HD23 LEU 4 HD23 LEU 4 -9.322 -0.116 -7.719 38 H LYS 5 HN LYS 5 -9.123 3.470 -5.558 39 HA LYS 5 HA LYS 5 -10.774 3.412 -3.121 40 HB2 LYS 5 HB2 LYS 5 -9.547 5.556 -3.866 41 HB3 LYS 5 HB3 LYS 5 -10.777 5.660 -5.117 42 HG2 LYS 5 HG2 LYS 5 -11.712 6.962 -3.491 43 HG3 LYS 5 HG3 LYS 5 -12.415 5.395 -3.088 44 HD2 LYS 5 HD2 LYS 5 -10.370 5.120 -1.543 45 HD3 LYS 5 HD3 LYS 5 -10.179 6.862 -1.734 46 HE2 LYS 5 HE2 LYS 5 -12.915 6.107 -1.119 47 HE3 LYS 5 HE3 LYS 5 -11.778 5.582 0.121 48 HZ1 LYS 5 HZ1 LYS 5 -12.240 7.679 0.831 49 HZ2 LYS 5 HZ2 LYS 5 -12.478 8.296 -0.735 50 HZ3 LYS 5 HZ3 LYS 5 -10.904 8.013 -0.160 51 H ILE 6 HN ILE 6 -12.814 2.788 -3.253 52 HA ILE 6 HA ILE 6 -13.893 2.192 -5.917 53 HB ILE 6 HB ILE 6 -14.883 1.269 -3.212 54 HG12 ILE 6 HG12 ILE 6 -12.745 0.250 -3.621 55 HG13 ILE 6 HG13 ILE 6 -13.981 -0.960 -3.956 56 HG21 ILE 6 HG21 ILE 6 -15.744 0.624 -6.017 57 HG22 ILE 6 HG22 ILE 6 -16.123 -0.419 -4.647 58 HG23 ILE 6 HG23 ILE 6 -16.722 1.241 -4.686 59 HD11 ILE 6 HD11 ILE 6 -11.879 -0.197 -5.601 60 HD12 ILE 6 HD12 ILE 6 -13.253 -1.215 -6.031 61 HD13 ILE 6 HD13 ILE 6 -13.313 0.522 -6.336 62 H THR 7 HN THR 7 -15.333 3.565 -6.764 63 HA THR 7 HA THR 7 -16.932 5.205 -4.927 64 HB THR 7 HB THR 7 -16.400 6.801 -7.192 65 HG1 THR 7 HG1 THR 7 -14.499 5.212 -7.234 66 HG21 THR 7 HG21 THR 7 -16.012 6.861 -4.290 67 HG22 THR 7 HG22 THR 7 -16.570 8.128 -5.379 68 HG23 THR 7 HG23 THR 7 -14.843 7.837 -5.178 69 H GLY 8 HN GLY 8 -18.873 6.054 -5.824 70 HA2 GLY 8 HA1 GLY 8 -20.526 6.246 -7.502 71 HA3 GLY 8 HA2 GLY 8 -19.718 4.985 -8.421 72 H MET 9 HN MET 9 -19.489 3.005 -6.495 73 HA MET 9 HA MET 9 -22.240 2.098 -6.447 74 HB2 MET 9 HB2 MET 9 -19.659 0.652 -5.834 75 HB3 MET 9 HB3 MET 9 -21.248 -0.081 -5.728 76 HG2 MET 9 HG2 MET 9 -21.092 1.124 -8.253 77 HG3 MET 9 HG3 MET 9 -19.581 0.249 -8.007 78 HE1 MET 9 HE1 MET 9 -23.529 -1.400 -9.226 79 HE2 MET 9 HE2 MET 9 -23.201 0.258 -8.721 80 HE3 MET 9 HE3 MET 9 -22.368 -0.416 -10.119 81 H THR 10 HN THR 10 -22.464 0.438 -4.408 82 HA THR 10 HA THR 10 -22.697 2.315 -2.179 83 HB THR 10 HB THR 10 -24.087 -0.220 -1.921 84 HG1 THR 10 HG1 THR 10 -25.445 1.248 -3.776 85 HG21 THR 10 HG21 THR 10 -25.868 1.959 -2.076 86 HG22 THR 10 HG22 THR 10 -24.417 2.549 -1.265 87 HG23 THR 10 HG23 THR 10 -25.275 1.148 -0.625 88 H CYS 11 HN CYS 11 -20.162 1.096 -2.464 89 HA CYS 11 HA CYS 11 -18.596 -0.242 -1.471 90 HB2 CYS 11 HB2 CYS 11 -18.771 -0.302 1.053 91 HB3 CYS 11 HB3 CYS 11 -18.623 1.265 0.290 92 HG CYS 11 HG CYS 11 -21.806 0.508 0.712 93 H ASP 12 HN ASP 12 -19.690 -1.672 1.157 94 HA ASP 12 HA ASP 12 -19.553 -4.236 0.694 95 HB2 ASP 12 HB2 ASP 12 -20.336 -4.077 2.792 96 HB3 ASP 12 HB3 ASP 12 -21.322 -2.676 2.413 97 H SER 13 HN SER 13 -20.407 -5.895 -0.343 98 HA SER 13 HA SER 13 -21.668 -7.135 -1.772 99 HB2 SER 13 HB2 SER 13 -23.579 -4.797 -2.004 100 HB3 SER 13 HB3 SER 13 -23.859 -6.446 -2.562 101 HG SER 13 HG SER 13 -23.277 -5.875 0.152 102 H CYS 14 HN CYS 14 -21.709 -3.725 -2.833 103 HA CYS 14 HA CYS 14 -21.091 -4.283 -5.536 104 HB2 CYS 14 HB2 CYS 14 -20.503 -1.780 -3.931 105 HB3 CYS 14 HB3 CYS 14 -20.557 -1.888 -5.688 106 HG CYS 14 HG CYS 14 -23.295 -2.439 -5.805 107 H ALA 15 HN ALA 15 -19.130 -3.516 -2.710 108 HA ALA 15 HA ALA 15 -16.620 -3.495 -4.000 109 HB1 ALA 15 HB1 ALA 15 -16.471 -2.516 -1.948 110 HB2 ALA 15 HB2 ALA 15 -17.571 -3.671 -1.194 111 HB3 ALA 15 HB3 ALA 15 -15.903 -4.133 -1.531 112 H ALA 16 HN ALA 16 -18.673 -6.070 -2.901 113 HA ALA 16 HA ALA 16 -16.703 -8.101 -2.706 114 HB1 ALA 16 HB1 ALA 16 -19.652 -7.983 -2.758 115 HB2 ALA 16 HB2 ALA 16 -18.924 -9.509 -3.263 116 HB3 ALA 16 HB3 ALA 16 -18.567 -8.846 -1.667 117 H HIS 17 HN HIS 17 -18.927 -7.124 -5.292 118 HA HIS 17 HA HIS 17 -18.115 -8.983 -7.227 119 HB2 HIS 17 HB2 HIS 17 -19.960 -6.937 -7.122 120 HB3 HIS 17 HB3 HIS 17 -18.789 -6.326 -8.286 121 HD1 HIS 17 HD1 HIS 17 -20.105 -9.876 -7.835 122 HD2 HIS 17 HD2 HIS 17 -19.937 -6.845 -10.682 123 HE1 HIS 17 HE1 HIS 17 -21.104 -10.853 -9.929 124 HE2 HIS 17 HE2 HIS 17 -21.160 -8.944 -11.578 125 H VAL 18 HN VAL 18 -16.933 -5.743 -6.464 126 HA VAL 18 HA VAL 18 -14.972 -5.554 -8.468 127 HB VAL 18 HB VAL 18 -15.053 -4.299 -5.716 128 HG11 VAL 18 HG11 VAL 18 -13.352 -3.492 -8.070 129 HG12 VAL 18 HG12 VAL 18 -13.383 -2.743 -6.474 130 HG13 VAL 18 HG13 VAL 18 -12.765 -4.384 -6.666 131 HG21 VAL 18 HG21 VAL 18 -15.468 -2.568 -8.005 132 HG22 VAL 18 HG22 VAL 18 -16.669 -3.858 -7.921 133 HG23 VAL 18 HG23 VAL 18 -16.444 -2.770 -6.550 134 H LYS 19 HN LYS 19 -14.805 -6.730 -5.123 135 HA LYS 19 HA LYS 19 -12.087 -7.306 -5.000 136 HB2 LYS 19 HB2 LYS 19 -13.646 -7.368 -3.073 137 HB3 LYS 19 HB3 LYS 19 -14.339 -8.855 -3.706 138 HG2 LYS 19 HG2 LYS 19 -11.660 -9.437 -3.598 139 HG3 LYS 19 HG3 LYS 19 -11.908 -8.427 -2.169 140 HD2 LYS 19 HD2 LYS 19 -13.340 -9.932 -1.190 141 HD3 LYS 19 HD3 LYS 19 -13.873 -10.592 -2.738 142 HE2 LYS 19 HE2 LYS 19 -11.045 -11.043 -2.262 143 HE3 LYS 19 HE3 LYS 19 -12.051 -11.740 -0.992 144 HZ1 LYS 19 HZ1 LYS 19 -11.557 -12.752 -3.539 145 HZ2 LYS 19 HZ2 LYS 19 -13.197 -12.306 -3.507 146 HZ3 LYS 19 HZ3 LYS 19 -12.584 -13.387 -2.350 147 H GLU 20 HN GLU 20 -14.767 -9.406 -6.017 148 HA GLU 20 HA GLU 20 -13.123 -11.627 -6.610 149 HB2 GLU 20 HB2 GLU 20 -15.902 -11.009 -6.711 150 HB3 GLU 20 HB3 GLU 20 -15.437 -11.681 -8.268 151 HG2 GLU 20 HG2 GLU 20 -16.047 -13.547 -7.050 152 HG3 GLU 20 HG3 GLU 20 -14.291 -13.526 -6.889 153 H ALA 21 HN ALA 21 -14.252 -8.915 -8.531 154 HA ALA 21 HA ALA 21 -13.373 -9.854 -11.045 155 HB1 ALA 21 HB1 ALA 21 -13.323 -6.938 -10.509 156 HB2 ALA 21 HB2 ALA 21 -14.013 -7.828 -11.866 157 HB3 ALA 21 HB3 ALA 21 -14.866 -7.771 -10.323 158 H LEU 22 HN LEU 22 -11.819 -8.086 -8.448 159 HA LEU 22 HA LEU 22 -9.406 -7.489 -9.794 160 HB2 LEU 22 HB2 LEU 22 -10.177 -7.730 -6.903 161 HB3 LEU 22 HB3 LEU 22 -8.511 -7.450 -7.368 162 HG LEU 22 HG LEU 22 -10.755 -5.641 -8.236 163 HD11 LEU 22 HD11 LEU 22 -10.718 -5.671 -5.811 164 HD12 LEU 22 HD12 LEU 22 -8.977 -5.392 -5.817 165 HD13 LEU 22 HD13 LEU 22 -10.070 -4.145 -6.416 166 HD21 LEU 22 HD21 LEU 22 -7.845 -4.980 -7.939 167 HD22 LEU 22 HD22 LEU 22 -8.478 -5.714 -9.411 168 HD23 LEU 22 HD23 LEU 22 -9.084 -4.147 -8.878 169 H GLU 23 HN GLU 23 -10.409 -10.184 -7.719 170 HA GLU 23 HA GLU 23 -7.875 -11.497 -7.905 171 HB2 GLU 23 HB2 GLU 23 -10.507 -12.079 -6.675 172 HB3 GLU 23 HB3 GLU 23 -9.499 -13.469 -7.068 173 HG2 GLU 23 HG2 GLU 23 -7.729 -12.674 -5.699 174 HG3 GLU 23 HG3 GLU 23 -8.520 -11.119 -5.472 175 H LYS 24 HN LYS 24 -10.539 -11.256 -9.981 176 HA LYS 24 HA LYS 24 -10.121 -13.721 -11.398 177 HB2 LYS 24 HB2 LYS 24 -11.977 -11.556 -11.492 178 HB3 LYS 24 HB3 LYS 24 -11.283 -11.750 -13.095 179 HG2 LYS 24 HG2 LYS 24 -12.529 -13.533 -13.484 180 HG3 LYS 24 HG3 LYS 24 -11.967 -14.312 -12.004 181 HD2 LYS 24 HD2 LYS 24 -13.747 -12.271 -11.220 182 HD3 LYS 24 HD3 LYS 24 -14.512 -13.128 -12.559 183 HE2 LYS 24 HE2 LYS 24 -13.242 -14.895 -10.618 184 HE3 LYS 24 HE3 LYS 24 -14.537 -13.912 -9.933 185 HZ1 LYS 24 HZ1 LYS 24 -15.924 -14.684 -11.850 186 HZ2 LYS 24 HZ2 LYS 24 -15.519 -15.882 -10.727 187 HZ3 LYS 24 HZ3 LYS 24 -14.700 -15.800 -12.212 188 H VAL 25 HN VAL 25 -8.582 -10.704 -11.250 189 HA VAL 25 HA VAL 25 -7.288 -10.876 -13.838 190 HB VAL 25 HB VAL 25 -6.814 -9.054 -11.478 191 HG11 VAL 25 HG11 VAL 25 -4.842 -8.693 -12.497 192 HG12 VAL 25 HG12 VAL 25 -5.384 -9.392 -14.023 193 HG13 VAL 25 HG13 VAL 25 -5.801 -7.727 -13.618 194 HG21 VAL 25 HG21 VAL 25 -7.996 -7.365 -12.731 195 HG22 VAL 25 HG22 VAL 25 -8.187 -8.464 -14.098 196 HG23 VAL 25 HG23 VAL 25 -9.017 -8.796 -12.577 197 HA PRO 26 HA PRO 26 -4.092 -13.490 -12.061 198 HB2 PRO 26 HB2 PRO 26 -2.725 -13.136 -14.629 199 HB3 PRO 26 HB3 PRO 26 -3.352 -14.613 -13.896 200 HG2 PRO 26 HG2 PRO 26 -4.489 -13.475 -16.072 201 HG3 PRO 26 HG3 PRO 26 -5.423 -14.375 -14.863 202 HD2 PRO 26 HD2 PRO 26 -5.137 -11.416 -15.221 203 HD3 PRO 26 HD3 PRO 26 -6.576 -12.367 -14.794 204 H GLY 27 HN GLY 27 -3.384 -11.928 -10.619 205 HA2 GLY 27 HA1 GLY 27 -0.748 -11.175 -10.765 206 HA3 GLY 27 HA2 GLY 27 -1.645 -9.784 -11.372 207 H VAL 28 HN VAL 28 -3.922 -10.678 -9.609 208 HA VAL 28 HA VAL 28 -3.091 -9.302 -7.201 209 HB VAL 28 HB VAL 28 -5.765 -10.393 -8.100 210 HG11 VAL 28 HG11 VAL 28 -6.048 -8.513 -5.989 211 HG12 VAL 28 HG12 VAL 28 -6.511 -10.215 -6.016 212 HG13 VAL 28 HG13 VAL 28 -4.902 -9.748 -5.466 213 HG21 VAL 28 HG21 VAL 28 -6.318 -8.276 -8.763 214 HG22 VAL 28 HG22 VAL 28 -5.198 -7.507 -7.637 215 HG23 VAL 28 HG23 VAL 28 -4.589 -8.267 -9.106 216 H GLN 29 HN GLN 29 -2.127 -10.432 -5.653 217 HA GLN 29 HA GLN 29 -2.366 -13.279 -5.436 218 HB2 GLN 29 HB2 GLN 29 -0.285 -12.095 -4.875 219 HB3 GLN 29 HB3 GLN 29 -1.109 -11.257 -3.569 220 HG2 GLN 29 HG2 GLN 29 -1.460 -14.074 -3.266 221 HG3 GLN 29 HG3 GLN 29 0.252 -13.707 -3.476 222 HE21 GLN 29 HE21 GLN 29 0.542 -11.313 -2.266 223 HE22 GLN 29 HE22 GLN 29 0.154 -11.445 -0.580 224 H SER 30 HN SER 30 -3.496 -10.504 -3.549 225 HA SER 30 HA SER 30 -5.807 -12.021 -2.696 226 HB2 SER 30 HB2 SER 30 -3.681 -11.103 -0.764 227 HB3 SER 30 HB3 SER 30 -5.355 -11.328 -0.254 228 HG SER 30 HG SER 30 -4.116 -13.389 -1.692 229 H ALA 31 HN ALA 31 -7.519 -10.711 -2.789 230 HA ALA 31 HA ALA 31 -7.038 -7.808 -2.710 231 HB1 ALA 31 HB1 ALA 31 -8.875 -9.538 -4.233 232 HB2 ALA 31 HB2 ALA 31 -9.555 -8.016 -3.658 233 HB3 ALA 31 HB3 ALA 31 -8.118 -8.008 -4.681 234 H LEU 32 HN LEU 32 -7.503 -6.872 -0.838 235 HA LEU 32 HA LEU 32 -9.809 -7.879 0.700 236 HB2 LEU 32 HB2 LEU 32 -7.167 -6.753 1.555 237 HB3 LEU 32 HB3 LEU 32 -8.565 -6.560 2.594 238 HG LEU 32 HG LEU 32 -7.820 -9.285 1.605 239 HD11 LEU 32 HD11 LEU 32 -6.766 -8.463 4.232 240 HD12 LEU 32 HD12 LEU 32 -6.094 -9.565 3.030 241 HD13 LEU 32 HD13 LEU 32 -5.922 -7.821 2.824 242 HD21 LEU 32 HD21 LEU 32 -9.279 -8.157 3.978 243 HD22 LEU 32 HD22 LEU 32 -9.903 -9.209 2.709 244 HD23 LEU 32 HD23 LEU 32 -8.758 -9.839 3.894 245 H VAL 33 HN VAL 33 -11.351 -6.575 -0.271 246 HA VAL 33 HA VAL 33 -10.902 -3.700 -0.399 247 HB VAL 33 HB VAL 33 -13.445 -5.171 -1.088 248 HG11 VAL 33 HG11 VAL 33 -12.363 -2.493 -1.958 249 HG12 VAL 33 HG12 VAL 33 -13.883 -3.217 -2.486 250 HG13 VAL 33 HG13 VAL 33 -13.665 -2.759 -0.798 251 HG21 VAL 33 HG21 VAL 33 -11.803 -6.188 -2.457 252 HG22 VAL 33 HG22 VAL 33 -12.604 -4.981 -3.463 253 HG23 VAL 33 HG23 VAL 33 -11.014 -4.644 -2.780 254 H SER 34 HN SER 34 -11.492 -2.338 1.114 255 HA SER 34 HA SER 34 -13.068 -3.318 3.372 256 HB2 SER 34 HB2 SER 34 -11.490 -0.744 3.192 257 HB3 SER 34 HB3 SER 34 -12.065 -1.559 4.647 258 HG SER 34 HG SER 34 -10.621 -3.256 4.213 259 H TYR 35 HN TYR 35 -15.172 -3.038 3.030 260 HA TYR 35 HA TYR 35 -16.308 -1.067 1.400 261 HB2 TYR 35 HB2 TYR 35 -18.132 -2.297 1.644 262 HB3 TYR 35 HB3 TYR 35 -17.198 -3.345 2.681 263 HD1 TYR 35 HD1 TYR 35 -19.398 -0.338 2.775 264 HD2 TYR 35 HD2 TYR 35 -17.916 -3.724 4.887 265 HE1 TYR 35 HE1 TYR 35 -20.944 0.142 4.626 266 HE2 TYR 35 HE2 TYR 35 -19.463 -3.255 6.737 267 HH TYR 35 HH TYR 35 -20.669 -0.872 7.569 268 HA PRO 36 HA PRO 36 -17.395 1.370 5.480 269 HB2 PRO 36 HB2 PRO 36 -15.061 0.818 7.193 270 HB3 PRO 36 HB3 PRO 36 -16.777 0.870 7.609 271 HG2 PRO 36 HG2 PRO 36 -15.428 -1.441 7.509 272 HG3 PRO 36 HG3 PRO 36 -17.127 -1.331 7.008 273 HD2 PRO 36 HD2 PRO 36 -14.652 -1.426 5.319 274 HD3 PRO 36 HD3 PRO 36 -16.214 -2.239 5.078 275 H LYS 37 HN LYS 37 -14.209 0.882 4.194 276 HA LYS 37 HA LYS 37 -13.527 3.696 4.703 277 HB2 LYS 37 HB2 LYS 37 -11.990 1.216 4.600 278 HB3 LYS 37 HB3 LYS 37 -11.264 2.504 3.647 279 HG2 LYS 37 HG2 LYS 37 -10.281 2.780 5.718 280 HG3 LYS 37 HG3 LYS 37 -11.607 3.945 5.764 281 HD2 LYS 37 HD2 LYS 37 -12.615 1.459 6.680 282 HD3 LYS 37 HD3 LYS 37 -11.090 1.757 7.517 283 HE2 LYS 37 HE2 LYS 37 -12.151 4.183 7.761 284 HE3 LYS 37 HE3 LYS 37 -13.649 3.262 7.619 285 HZ1 LYS 37 HZ1 LYS 37 -11.492 2.694 9.583 286 HZ2 LYS 37 HZ2 LYS 37 -12.995 1.917 9.486 287 HZ3 LYS 37 HZ3 LYS 37 -12.914 3.550 9.934 288 H GLY 38 HN GLY 38 -14.676 1.674 2.297 289 HA2 GLY 38 HA1 GLY 38 -15.073 1.996 0.059 290 HA3 GLY 38 HA2 GLY 38 -14.667 3.686 0.319 291 H THR 39 HN THR 39 -12.349 1.254 1.132 292 HA THR 39 HA THR 39 -10.798 1.966 -1.265 293 HB THR 39 HB THR 39 -8.972 1.269 0.753 294 HG1 THR 39 HG1 THR 39 -10.878 3.195 1.663 295 HG21 THR 39 HG21 THR 39 -9.731 3.766 -0.703 296 HG22 THR 39 HG22 THR 39 -8.236 2.831 -0.776 297 HG23 THR 39 HG23 THR 39 -8.564 3.860 0.617 298 H ALA 40 HN ALA 40 -9.384 0.378 -2.044 299 HA ALA 40 HA ALA 40 -10.029 -2.353 -1.156 300 HB1 ALA 40 HB1 ALA 40 -10.636 -2.749 -3.257 301 HB2 ALA 40 HB2 ALA 40 -10.137 -1.130 -3.748 302 HB3 ALA 40 HB3 ALA 40 -8.972 -2.452 -3.757 303 H GLN 41 HN GLN 41 -8.413 -3.282 -0.135 304 HA GLN 41 HA GLN 41 -5.666 -2.406 -0.659 305 HB2 GLN 41 HB2 GLN 41 -7.112 -3.535 1.654 306 HB3 GLN 41 HB3 GLN 41 -5.490 -4.168 1.417 307 HG2 GLN 41 HG2 GLN 41 -5.316 -2.350 2.911 308 HG3 GLN 41 HG3 GLN 41 -4.671 -1.807 1.365 309 HE21 GLN 41 HE21 GLN 41 -7.973 -2.066 2.658 310 HE22 GLN 41 HE22 GLN 41 -8.389 -0.414 2.376 311 H LEU 42 HN LEU 42 -5.271 -3.532 -2.603 312 HA LEU 42 HA LEU 42 -5.479 -6.443 -2.413 313 HB2 LEU 42 HB2 LEU 42 -4.792 -6.205 -4.961 314 HB3 LEU 42 HB3 LEU 42 -6.449 -6.115 -4.420 315 HG LEU 42 HG LEU 42 -5.785 -4.469 -6.184 316 HD11 LEU 42 HD11 LEU 42 -7.633 -4.230 -4.323 317 HD12 LEU 42 HD12 LEU 42 -6.637 -2.850 -3.863 318 HD13 LEU 42 HD13 LEU 42 -7.305 -2.951 -5.492 319 HD21 LEU 42 HD21 LEU 42 -3.719 -3.622 -5.782 320 HD22 LEU 42 HD22 LEU 42 -4.704 -2.346 -5.066 321 HD23 LEU 42 HD23 LEU 42 -3.955 -3.565 -4.035 322 H ALA 43 HN ALA 43 -3.788 -7.720 -2.352 323 HA ALA 43 HA ALA 43 -1.119 -6.540 -2.474 324 HB1 ALA 43 HB1 ALA 43 -0.335 -8.501 -1.425 325 HB2 ALA 43 HB2 ALA 43 -1.877 -8.155 -0.642 326 HB3 ALA 43 HB3 ALA 43 -1.775 -9.415 -1.872 327 H ILE 44 HN ILE 44 -0.462 -6.299 -4.526 328 HA ILE 44 HA ILE 44 -1.146 -8.394 -6.467 329 HB ILE 44 HB ILE 44 -0.233 -6.569 -8.109 330 HG12 ILE 44 HG12 ILE 44 -1.298 -4.690 -6.030 331 HG13 ILE 44 HG13 ILE 44 0.398 -5.162 -5.975 332 HG21 ILE 44 HG21 ILE 44 -2.906 -6.404 -6.729 333 HG22 ILE 44 HG22 ILE 44 -2.513 -5.595 -8.246 334 HG23 ILE 44 HG23 ILE 44 -2.498 -7.357 -8.156 335 HD11 ILE 44 HD11 ILE 44 0.900 -4.074 -7.939 336 HD12 ILE 44 HD12 ILE 44 -0.762 -4.138 -8.524 337 HD13 ILE 44 HD13 ILE 44 -0.322 -3.011 -7.241 338 H VAL 45 HN VAL 45 0.479 -8.885 -8.118 339 HA VAL 45 HA VAL 45 3.098 -9.267 -6.928 340 HB VAL 45 HB VAL 45 2.099 -10.110 -9.659 341 HG11 VAL 45 HG11 VAL 45 3.985 -11.469 -9.849 342 HG12 VAL 45 HG12 VAL 45 4.618 -9.962 -9.188 343 HG13 VAL 45 HG13 VAL 45 4.362 -11.350 -8.131 344 HG21 VAL 45 HG21 VAL 45 1.046 -11.845 -8.748 345 HG22 VAL 45 HG22 VAL 45 2.428 -12.233 -7.723 346 HG23 VAL 45 HG23 VAL 45 1.239 -11.045 -7.189 347 HA PRO 46 HA PRO 46 4.805 -5.537 -8.720 348 HB2 PRO 46 HB2 PRO 46 7.297 -7.161 -8.525 349 HB3 PRO 46 HB3 PRO 46 6.974 -5.520 -7.954 350 HG2 PRO 46 HG2 PRO 46 7.077 -7.544 -6.236 351 HG3 PRO 46 HG3 PRO 46 5.873 -6.256 -6.046 352 HD2 PRO 46 HD2 PRO 46 5.529 -9.038 -7.085 353 HD3 PRO 46 HD3 PRO 46 4.432 -8.063 -6.085 354 H GLY 47 HN GLY 47 4.535 -5.179 -10.804 355 HA2 GLY 47 HA1 GLY 47 5.837 -5.619 -12.978 356 HA3 GLY 47 HA2 GLY 47 5.307 -7.277 -12.722 357 H THR 48 HN THR 48 2.752 -6.779 -11.732 358 HA THR 48 HA THR 48 1.305 -6.213 -14.131 359 HB THR 48 HB THR 48 -0.308 -6.197 -11.708 360 HG1 THR 48 HG1 THR 48 1.295 -7.473 -10.791 361 HG21 THR 48 HG21 THR 48 -0.247 -8.392 -13.740 362 HG22 THR 48 HG22 THR 48 -0.853 -6.797 -14.185 363 HG23 THR 48 HG23 THR 48 -1.623 -7.699 -12.880 364 H SER 49 HN SER 49 0.196 -4.414 -14.710 365 HA SER 49 HA SER 49 0.946 -1.976 -13.449 366 HB2 SER 49 HB2 SER 49 -1.214 -1.610 -15.306 367 HB3 SER 49 HB3 SER 49 0.482 -1.163 -15.488 368 HG SER 49 HG SER 49 0.895 -3.005 -16.525 369 HA PRO 50 HA PRO 50 -2.412 -2.090 -10.516 370 HB2 PRO 50 HB2 PRO 50 -1.566 0.634 -9.820 371 HB3 PRO 50 HB3 PRO 50 -1.577 -0.821 -8.820 372 HG2 PRO 50 HG2 PRO 50 0.717 0.286 -9.699 373 HG3 PRO 50 HG3 PRO 50 0.532 -1.467 -9.499 374 HD2 PRO 50 HD2 PRO 50 0.414 0.180 -12.000 375 HD3 PRO 50 HD3 PRO 50 1.179 -1.400 -11.724 376 H ASP 51 HN ASP 51 -1.900 0.312 -12.938 377 HA ASP 51 HA ASP 51 -4.359 1.716 -12.472 378 HB2 ASP 51 HB2 ASP 51 -2.120 2.430 -13.777 379 HB3 ASP 51 HB3 ASP 51 -3.064 1.844 -15.145 380 H ALA 52 HN ALA 52 -3.481 -1.220 -13.851 381 HA ALA 52 HA ALA 52 -5.519 -1.333 -15.862 382 HB1 ALA 52 HB1 ALA 52 -4.004 -3.617 -14.612 383 HB2 ALA 52 HB2 ALA 52 -4.901 -3.646 -16.129 384 HB3 ALA 52 HB3 ALA 52 -3.435 -2.674 -15.988 385 H LEU 53 HN LEU 53 -5.211 -2.079 -12.490 386 HA LEU 53 HA LEU 53 -7.636 -3.571 -12.240 387 HB2 LEU 53 HB2 LEU 53 -6.401 -1.970 -10.020 388 HB3 LEU 53 HB3 LEU 53 -7.283 -3.480 -9.922 389 HG LEU 53 HG LEU 53 -4.591 -3.315 -11.254 390 HD11 LEU 53 HD11 LEU 53 -3.911 -4.370 -8.941 391 HD12 LEU 53 HD12 LEU 53 -3.913 -2.623 -9.188 392 HD13 LEU 53 HD13 LEU 53 -5.264 -3.398 -8.359 393 HD21 LEU 53 HD21 LEU 53 -6.538 -5.366 -10.806 394 HD22 LEU 53 HD22 LEU 53 -5.010 -5.450 -11.683 395 HD23 LEU 53 HD23 LEU 53 -5.049 -5.761 -9.948 396 H THR 54 HN THR 54 -6.682 -0.215 -11.659 397 HA THR 54 HA THR 54 -9.130 0.850 -10.904 398 HB THR 54 HB THR 54 -7.590 2.592 -12.683 399 HG1 THR 54 HG1 THR 54 -5.683 2.516 -11.483 400 HG21 THR 54 HG21 THR 54 -9.113 3.496 -11.046 401 HG22 THR 54 HG22 THR 54 -7.470 3.956 -10.604 402 HG23 THR 54 HG23 THR 54 -8.279 2.646 -9.745 403 H ALA 55 HN ALA 55 -7.717 0.565 -14.155 404 HA ALA 55 HA ALA 55 -9.968 1.583 -15.530 405 HB1 ALA 55 HB1 ALA 55 -8.448 -0.322 -17.094 406 HB2 ALA 55 HB2 ALA 55 -8.638 1.418 -17.311 407 HB3 ALA 55 HB3 ALA 55 -7.397 0.794 -16.223 408 H ALA 56 HN ALA 56 -9.110 -1.646 -14.435 409 HA ALA 56 HA ALA 56 -11.092 -3.057 -15.857 410 HB1 ALA 56 HB1 ALA 56 -10.692 -4.213 -13.259 411 HB2 ALA 56 HB2 ALA 56 -10.182 -4.809 -14.838 412 HB3 ALA 56 HB3 ALA 56 -9.147 -3.698 -13.939 413 H VAL 57 HN VAL 57 -11.143 -1.660 -12.573 414 HA VAL 57 HA VAL 57 -13.846 -2.360 -12.083 415 HB VAL 57 HB VAL 57 -12.275 -0.137 -10.803 416 HG11 VAL 57 HG11 VAL 57 -14.102 -1.413 -9.038 417 HG12 VAL 57 HG12 VAL 57 -14.079 0.268 -9.574 418 HG13 VAL 57 HG13 VAL 57 -14.970 -0.941 -10.499 419 HG21 VAL 57 HG21 VAL 57 -12.610 -2.775 -9.490 420 HG22 VAL 57 HG22 VAL 57 -11.431 -2.652 -10.797 421 HG23 VAL 57 HG23 VAL 57 -11.285 -1.614 -9.378 422 H ALA 58 HN ALA 58 -12.302 0.589 -13.305 423 HA ALA 58 HA ALA 58 -14.661 2.134 -13.466 424 HB1 ALA 58 HB1 ALA 58 -12.836 3.482 -13.610 425 HB2 ALA 58 HB2 ALA 58 -11.920 2.324 -14.575 426 HB3 ALA 58 HB3 ALA 58 -13.179 3.303 -15.330 427 H GLY 59 HN GLY 59 -13.196 -0.184 -15.625 428 HA2 GLY 59 HA1 GLY 59 -15.028 0.450 -17.788 429 HA3 GLY 59 HA2 GLY 59 -13.779 -0.785 -17.803 430 H LEU 60 HN LEU 60 -15.504 -1.075 -14.985 431 HA LEU 60 HA LEU 60 -17.182 -3.184 -16.132 432 HB2 LEU 60 HB2 LEU 60 -15.627 -2.916 -13.697 433 HB3 LEU 60 HB3 LEU 60 -17.256 -3.479 -13.390 434 HG LEU 60 HG LEU 60 -15.606 -4.811 -15.500 435 HD11 LEU 60 HD11 LEU 60 -14.169 -4.716 -13.527 436 HD12 LEU 60 HD12 LEU 60 -15.463 -5.411 -12.552 437 HD13 LEU 60 HD13 LEU 60 -14.725 -6.359 -13.843 438 HD21 LEU 60 HD21 LEU 60 -17.212 -6.468 -13.767 439 HD22 LEU 60 HD22 LEU 60 -18.170 -5.168 -14.477 440 HD23 LEU 60 HD23 LEU 60 -17.278 -6.276 -15.520 441 H GLY 61 HN GLY 61 -17.605 -0.158 -15.723 442 HA2 GLY 61 HA1 GLY 61 -19.738 0.870 -15.795 443 HA3 GLY 61 HA2 GLY 61 -20.388 -0.478 -14.876 444 H TYR 62 HN TYR 62 -17.763 0.047 -13.189 445 HA TYR 62 HA TYR 62 -19.109 1.917 -11.377 446 HB2 TYR 62 HB2 TYR 62 -16.664 0.476 -10.503 447 HB3 TYR 62 HB3 TYR 62 -18.133 0.836 -9.611 448 HD1 TYR 62 HD2 TYR 62 -20.269 -0.472 -10.914 449 HD2 TYR 62 HD1 TYR 62 -16.233 -1.777 -10.582 450 HE1 TYR 62 HE2 TYR 62 -21.004 -2.804 -11.181 451 HE2 TYR 62 HE1 TYR 62 -16.959 -4.110 -10.846 452 HH TYR 62 HH TYR 62 -19.889 -5.008 -12.022 453 H LYS 63 HN LYS 63 -17.221 3.068 -9.939 454 HA LYS 63 HA LYS 63 -15.316 4.200 -11.873 455 HB2 LYS 63 HB2 LYS 63 -17.386 5.611 -10.775 456 HB3 LYS 63 HB3 LYS 63 -16.091 5.949 -9.634 457 HG2 LYS 63 HG2 LYS 63 -16.329 6.690 -12.510 458 HG3 LYS 63 HG3 LYS 63 -15.855 7.675 -11.128 459 HD2 LYS 63 HD2 LYS 63 -13.890 5.708 -11.279 460 HD3 LYS 63 HD3 LYS 63 -14.215 6.136 -12.960 461 HE2 LYS 63 HE2 LYS 63 -12.871 7.887 -12.663 462 HE3 LYS 63 HE3 LYS 63 -14.135 8.575 -11.644 463 HZ1 LYS 63 HZ1 LYS 63 -11.944 8.522 -10.570 464 HZ2 LYS 63 HZ2 LYS 63 -11.944 6.826 -10.655 465 HZ3 LYS 63 HZ3 LYS 63 -13.104 7.629 -9.715 466 H ALA 64 HN ALA 64 -13.387 3.434 -11.328 467 HA ALA 64 HA ALA 64 -12.752 3.143 -8.482 468 HB1 ALA 64 HB1 ALA 64 -11.698 1.280 -9.061 469 HB2 ALA 64 HB2 ALA 64 -12.228 1.525 -10.724 470 HB3 ALA 64 HB3 ALA 64 -10.675 2.167 -10.191 471 H THR 65 HN THR 65 -10.948 4.017 -7.602 472 HA THR 65 HA THR 65 -9.199 5.699 -9.224 473 HB THR 65 HB THR 65 -9.833 6.893 -6.612 474 HG1 THR 65 HG1 THR 65 -11.940 6.780 -6.882 475 HG21 THR 65 HG21 THR 65 -10.256 8.535 -8.964 476 HG22 THR 65 HG22 THR 65 -8.717 7.677 -9.042 477 HG23 THR 65 HG23 THR 65 -9.077 8.717 -7.664 478 H LEU 66 HN LEU 66 -7.850 6.683 -6.793 479 HA LEU 66 HA LEU 66 -7.055 4.302 -5.364 480 HB2 LEU 66 HB2 LEU 66 -4.570 4.928 -5.990 481 HB3 LEU 66 HB3 LEU 66 -5.513 3.829 -6.979 482 HG LEU 66 HG LEU 66 -6.019 6.391 -8.013 483 HD11 LEU 66 HD11 LEU 66 -3.060 5.971 -7.653 484 HD12 LEU 66 HD12 LEU 66 -3.862 7.312 -8.470 485 HD13 LEU 66 HD13 LEU 66 -4.022 7.122 -6.725 486 HD21 LEU 66 HD21 LEU 66 -5.617 3.978 -9.010 487 HD22 LEU 66 HD22 LEU 66 -5.370 5.430 -9.981 488 HD23 LEU 66 HD23 LEU 66 -3.989 4.611 -9.253 489 H ALA 67 HN ALA 67 -6.154 4.734 -3.418 490 HA ALA 67 HA ALA 67 -5.225 7.408 -2.781 491 HB1 ALA 67 HB1 ALA 67 -6.861 8.021 -1.244 492 HB2 ALA 67 HB2 ALA 67 -7.799 7.344 -2.575 493 HB3 ALA 67 HB3 ALA 67 -7.502 6.383 -1.126 494 H ASP 68 HN ASP 68 -3.523 7.156 -1.505 495 HA ASP 68 HA ASP 68 -3.002 4.638 -0.255 496 HB2 ASP 68 HB2 ASP 68 -1.151 5.767 -1.295 497 HB3 ASP 68 HB3 ASP 68 -1.443 7.221 -0.347 498 H ALA 69 HN ALA 69 -4.073 7.794 0.707 499 HA ALA 69 HA ALA 69 -4.244 6.860 3.493 500 HB1 ALA 69 HB1 ALA 69 -4.026 9.424 3.983 501 HB2 ALA 69 HB2 ALA 69 -2.588 8.437 3.719 502 HB3 ALA 69 HB3 ALA 69 -3.220 9.444 2.415 Start of MODEL 8 1 H1 MET 1 H1 MET 1 -0.772 -3.273 0.024 2 H2 MET 1 H2 MET 1 0.213 -4.629 -0.237 3 H3 MET 1 H3 MET 1 -1.046 -4.271 -1.322 4 HA MET 1 HA MET 1 1.598 -3.082 -1.054 5 HB2 MET 1 HB2 MET 1 0.982 -4.598 -2.918 6 HB3 MET 1 HB3 MET 1 -0.270 -3.465 -3.404 7 HG2 MET 1 HG2 MET 1 1.174 -2.287 -4.589 8 HG3 MET 1 HG3 MET 1 2.243 -2.104 -3.199 9 HE1 MET 1 HE1 MET 1 4.798 -2.485 -4.700 10 HE2 MET 1 HE2 MET 1 4.406 -3.171 -6.277 11 HE3 MET 1 HE3 MET 1 3.441 -1.846 -5.627 12 H THR 2 HN THR 2 -1.585 -2.105 -2.331 13 HA THR 2 HA THR 2 -1.178 0.569 -1.251 14 HB THR 2 HB THR 2 -2.139 0.425 -4.073 15 HG1 THR 2 HG1 THR 2 0.360 0.911 -4.397 16 HG21 THR 2 HG21 THR 2 -0.401 2.565 -3.718 17 HG22 THR 2 HG22 THR 2 -1.249 2.428 -2.177 18 HG23 THR 2 HG23 THR 2 -2.164 2.620 -3.672 19 H HIS 3 HN HIS 3 -3.148 1.722 -0.972 20 HA HIS 3 HA HIS 3 -5.530 0.048 -1.120 21 HB2 HIS 3 HB2 HIS 3 -5.326 2.875 -0.107 22 HB3 HIS 3 HB3 HIS 3 -6.679 1.787 0.102 23 HD1 HIS 3 HD1 HIS 3 -5.757 2.911 2.622 24 HD2 HIS 3 HD2 HIS 3 -3.913 -0.442 0.993 25 HE1 HIS 3 HE1 HIS 3 -4.641 1.748 4.550 26 HE2 HIS 3 HE2 HIS 3 -3.473 -0.243 3.540 27 H LEU 4 HN LEU 4 -6.867 0.127 -2.709 28 HA LEU 4 HA LEU 4 -6.723 2.285 -4.680 29 HB2 LEU 4 HB2 LEU 4 -6.740 -0.383 -5.080 30 HB3 LEU 4 HB3 LEU 4 -8.463 -0.080 -5.119 31 HG LEU 4 HG LEU 4 -7.640 1.831 -6.827 32 HD11 LEU 4 HD11 LEU 4 -5.962 -0.064 -8.091 33 HD12 LEU 4 HD12 LEU 4 -5.562 1.565 -7.546 34 HD13 LEU 4 HD13 LEU 4 -5.349 0.192 -6.457 35 HD21 LEU 4 HD21 LEU 4 -8.004 -1.030 -7.691 36 HD22 LEU 4 HD22 LEU 4 -9.331 -0.015 -7.127 37 HD23 LEU 4 HD23 LEU 4 -8.429 0.437 -8.574 38 H LYS 5 HN LYS 5 -8.703 3.309 -5.357 39 HA LYS 5 HA LYS 5 -10.643 3.314 -3.143 40 HB2 LYS 5 HB2 LYS 5 -9.254 5.414 -3.785 41 HB3 LYS 5 HB3 LYS 5 -10.393 5.556 -5.117 42 HG2 LYS 5 HG2 LYS 5 -12.039 5.181 -2.954 43 HG3 LYS 5 HG3 LYS 5 -10.730 6.159 -2.288 44 HD2 LYS 5 HD2 LYS 5 -11.249 7.967 -3.561 45 HD3 LYS 5 HD3 LYS 5 -11.808 6.984 -4.917 46 HE2 LYS 5 HE2 LYS 5 -13.894 7.406 -4.287 47 HE3 LYS 5 HE3 LYS 5 -13.596 6.472 -2.823 48 HZ1 LYS 5 HZ1 LYS 5 -12.546 9.109 -2.598 49 HZ2 LYS 5 HZ2 LYS 5 -13.663 8.306 -1.604 50 HZ3 LYS 5 HZ3 LYS 5 -14.199 9.144 -2.975 51 H ILE 6 HN ILE 6 -12.652 2.716 -3.511 52 HA ILE 6 HA ILE 6 -13.492 2.254 -6.268 53 HB ILE 6 HB ILE 6 -15.062 1.606 -3.786 54 HG12 ILE 6 HG12 ILE 6 -12.836 0.583 -3.567 55 HG13 ILE 6 HG13 ILE 6 -14.083 -0.636 -3.806 56 HG21 ILE 6 HG21 ILE 6 -15.256 -0.234 -6.010 57 HG22 ILE 6 HG22 ILE 6 -16.527 0.655 -5.171 58 HG23 ILE 6 HG23 ILE 6 -15.648 1.416 -6.498 59 HD11 ILE 6 HD11 ILE 6 -12.183 0.393 -5.902 60 HD12 ILE 6 HD12 ILE 6 -12.088 -1.164 -5.079 61 HD13 ILE 6 HD13 ILE 6 -13.440 -0.817 -6.157 62 H THR 7 HN THR 7 -14.889 3.583 -7.275 63 HA THR 7 HA THR 7 -15.945 5.814 -5.673 64 HB THR 7 HB THR 7 -15.726 6.346 -8.528 65 HG1 THR 7 HG1 THR 7 -13.681 5.042 -7.317 66 HG21 THR 7 HG21 THR 7 -15.892 7.839 -6.309 67 HG22 THR 7 HG22 THR 7 -15.162 8.430 -7.803 68 HG23 THR 7 HG23 THR 7 -14.139 7.815 -6.502 69 H GLY 8 HN GLY 8 -17.979 6.559 -6.030 70 HA2 GLY 8 HA1 GLY 8 -20.189 6.462 -6.720 71 HA3 GLY 8 HA2 GLY 8 -19.741 5.221 -7.892 72 H MET 9 HN MET 9 -18.863 3.171 -6.725 73 HA MET 9 HA MET 9 -21.009 2.307 -4.959 74 HB2 MET 9 HB2 MET 9 -18.835 0.480 -5.921 75 HB3 MET 9 HB3 MET 9 -20.516 0.127 -5.550 76 HG2 MET 9 HG2 MET 9 -20.394 2.035 -7.640 77 HG3 MET 9 HG3 MET 9 -19.387 0.650 -8.056 78 HE1 MET 9 HE1 MET 9 -22.557 1.962 -6.748 79 HE2 MET 9 HE2 MET 9 -23.409 1.679 -8.267 80 HE3 MET 9 HE3 MET 9 -23.748 0.667 -6.863 81 H THR 10 HN THR 10 -20.728 2.607 -2.845 82 HA THR 10 HA THR 10 -17.967 2.489 -1.805 83 HB THR 10 HB THR 10 -19.878 4.121 -0.302 84 HG1 THR 10 HG1 THR 10 -19.761 4.421 -2.951 85 HG21 THR 10 HG21 THR 10 -17.789 5.708 -0.665 86 HG22 THR 10 HG22 THR 10 -17.016 4.189 -1.122 87 HG23 THR 10 HG23 THR 10 -17.733 4.364 0.479 88 H CYS 11 HN CYS 11 -19.696 0.242 -1.840 89 HA CYS 11 HA CYS 11 -19.917 -0.252 1.015 90 HB2 CYS 11 HB2 CYS 11 -22.239 -1.058 0.830 91 HB3 CYS 11 HB3 CYS 11 -22.093 0.665 0.510 92 HG CYS 11 HG CYS 11 -23.947 -0.060 -1.312 93 H ASP 12 HN ASP 12 -20.241 -2.437 1.569 94 HA ASP 12 HA ASP 12 -18.552 -4.233 0.369 95 HB2 ASP 12 HB2 ASP 12 -19.132 -4.637 2.604 96 HB3 ASP 12 HB3 ASP 12 -20.856 -4.547 2.275 97 H SER 13 HN SER 13 -22.074 -4.016 -0.040 98 HA SER 13 HA SER 13 -22.485 -6.339 -1.499 99 HB2 SER 13 HB2 SER 13 -24.003 -3.811 -2.090 100 HB3 SER 13 HB3 SER 13 -24.599 -5.471 -2.015 101 HG SER 13 HG SER 13 -24.103 -5.406 0.268 102 H CYS 14 HN CYS 14 -21.270 -3.239 -2.559 103 HA CYS 14 HA CYS 14 -21.280 -4.071 -5.351 104 HB2 CYS 14 HB2 CYS 14 -20.459 -1.502 -3.986 105 HB3 CYS 14 HB3 CYS 14 -20.362 -1.755 -5.726 106 HG CYS 14 HG CYS 14 -23.385 -2.565 -4.914 107 H ALA 15 HN ALA 15 -19.086 -3.442 -2.705 108 HA ALA 15 HA ALA 15 -16.661 -3.527 -4.131 109 HB1 ALA 15 HB1 ALA 15 -17.064 -4.276 -1.242 110 HB2 ALA 15 HB2 ALA 15 -15.594 -3.674 -2.005 111 HB3 ALA 15 HB3 ALA 15 -16.992 -2.615 -1.830 112 H ALA 16 HN ALA 16 -18.740 -6.038 -2.920 113 HA ALA 16 HA ALA 16 -16.925 -8.165 -2.778 114 HB1 ALA 16 HB1 ALA 16 -19.871 -8.119 -3.400 115 HB2 ALA 16 HB2 ALA 16 -18.951 -9.605 -3.169 116 HB3 ALA 16 HB3 ALA 16 -19.096 -8.443 -1.850 117 H HIS 17 HN HIS 17 -18.879 -6.999 -5.497 118 HA HIS 17 HA HIS 17 -18.038 -8.992 -7.325 119 HB2 HIS 17 HB2 HIS 17 -20.021 -7.221 -7.399 120 HB3 HIS 17 HB3 HIS 17 -18.832 -6.296 -8.311 121 HD1 HIS 17 HD1 HIS 17 -19.510 -6.512 -10.671 122 HD2 HIS 17 HD2 HIS 17 -19.686 -10.151 -8.661 123 HE1 HIS 17 HE1 HIS 17 -20.058 -8.235 -12.424 124 HE2 HIS 17 HE2 HIS 17 -19.959 -10.448 -11.217 125 H VAL 18 HN VAL 18 -16.862 -5.771 -6.534 126 HA VAL 18 HA VAL 18 -14.914 -5.562 -8.557 127 HB VAL 18 HB VAL 18 -14.845 -4.371 -5.775 128 HG11 VAL 18 HG11 VAL 18 -13.403 -2.651 -6.812 129 HG12 VAL 18 HG12 VAL 18 -12.673 -4.256 -6.821 130 HG13 VAL 18 HG13 VAL 18 -13.381 -3.600 -8.298 131 HG21 VAL 18 HG21 VAL 18 -15.668 -2.316 -7.124 132 HG22 VAL 18 HG22 VAL 18 -16.192 -3.515 -8.307 133 HG23 VAL 18 HG23 VAL 18 -16.827 -3.563 -6.663 134 H LYS 19 HN LYS 19 -14.780 -6.800 -5.242 135 HA LYS 19 HA LYS 19 -12.066 -7.507 -5.210 136 HB2 LYS 19 HB2 LYS 19 -13.475 -7.383 -3.190 137 HB3 LYS 19 HB3 LYS 19 -14.381 -8.785 -3.739 138 HG2 LYS 19 HG2 LYS 19 -11.860 -9.767 -3.783 139 HG3 LYS 19 HG3 LYS 19 -11.753 -8.622 -2.443 140 HD2 LYS 19 HD2 LYS 19 -14.013 -9.745 -1.724 141 HD3 LYS 19 HD3 LYS 19 -13.430 -11.072 -2.729 142 HE2 LYS 19 HE2 LYS 19 -11.339 -10.086 -1.009 143 HE3 LYS 19 HE3 LYS 19 -12.763 -10.533 -0.071 144 HZ1 LYS 19 HZ1 LYS 19 -12.029 -12.437 -2.120 145 HZ2 LYS 19 HZ2 LYS 19 -12.468 -12.692 -0.503 146 HZ3 LYS 19 HZ3 LYS 19 -10.876 -12.255 -0.891 147 H GLU 20 HN GLU 20 -14.949 -9.336 -6.129 148 HA GLU 20 HA GLU 20 -13.657 -11.768 -6.662 149 HB2 GLU 20 HB2 GLU 20 -15.954 -11.979 -6.501 150 HB3 GLU 20 HB3 GLU 20 -16.255 -10.526 -7.441 151 HG2 GLU 20 HG2 GLU 20 -15.240 -11.972 -9.386 152 HG3 GLU 20 HG3 GLU 20 -15.745 -13.308 -8.351 153 H ALA 21 HN ALA 21 -14.362 -8.999 -8.733 154 HA ALA 21 HA ALA 21 -13.360 -10.105 -11.127 155 HB1 ALA 21 HB1 ALA 21 -14.489 -7.661 -10.316 156 HB2 ALA 21 HB2 ALA 21 -12.927 -7.271 -11.037 157 HB3 ALA 21 HB3 ALA 21 -14.120 -8.190 -11.957 158 H LEU 22 HN LEU 22 -11.870 -8.365 -8.471 159 HA LEU 22 HA LEU 22 -9.311 -8.070 -9.666 160 HB2 LEU 22 HB2 LEU 22 -10.390 -7.879 -6.890 161 HB3 LEU 22 HB3 LEU 22 -8.653 -7.966 -7.114 162 HG LEU 22 HG LEU 22 -10.234 -5.928 -8.633 163 HD11 LEU 22 HD11 LEU 22 -9.409 -4.470 -6.548 164 HD12 LEU 22 HD12 LEU 22 -11.017 -5.189 -6.646 165 HD13 LEU 22 HD13 LEU 22 -9.748 -5.991 -5.719 166 HD21 LEU 22 HD21 LEU 22 -7.434 -6.510 -8.019 167 HD22 LEU 22 HD22 LEU 22 -8.142 -5.605 -9.357 168 HD23 LEU 22 HD23 LEU 22 -7.884 -4.818 -7.800 169 H GLU 23 HN GLU 23 -10.746 -10.484 -7.528 170 HA GLU 23 HA GLU 23 -8.380 -12.014 -7.209 171 HB2 GLU 23 HB2 GLU 23 -11.286 -12.502 -6.706 172 HB3 GLU 23 HB3 GLU 23 -10.136 -13.827 -6.575 173 HG2 GLU 23 HG2 GLU 23 -8.829 -12.307 -5.004 174 HG3 GLU 23 HG3 GLU 23 -10.279 -11.311 -4.962 175 H LYS 24 HN LYS 24 -10.789 -11.841 -9.688 176 HA LYS 24 HA LYS 24 -10.186 -14.380 -10.872 177 HB2 LYS 24 HB2 LYS 24 -11.954 -13.923 -12.181 178 HB3 LYS 24 HB3 LYS 24 -12.183 -12.495 -11.190 179 HG2 LYS 24 HG2 LYS 24 -10.723 -11.254 -12.803 180 HG3 LYS 24 HG3 LYS 24 -10.787 -12.676 -13.846 181 HD2 LYS 24 HD2 LYS 24 -13.161 -12.480 -14.083 182 HD3 LYS 24 HD3 LYS 24 -13.236 -11.236 -12.833 183 HE2 LYS 24 HE2 LYS 24 -13.345 -9.953 -14.734 184 HE3 LYS 24 HE3 LYS 24 -11.609 -9.953 -14.426 185 HZ1 LYS 24 HZ1 LYS 24 -12.189 -10.384 -16.765 186 HZ2 LYS 24 HZ2 LYS 24 -12.979 -11.809 -16.296 187 HZ3 LYS 24 HZ3 LYS 24 -11.307 -11.654 -16.064 188 H VAL 25 HN VAL 25 -8.754 -11.296 -10.840 189 HA VAL 25 HA VAL 25 -7.146 -11.710 -13.212 190 HB VAL 25 HB VAL 25 -7.154 -9.551 -11.097 191 HG11 VAL 25 HG11 VAL 25 -5.255 -8.637 -11.878 192 HG12 VAL 25 HG12 VAL 25 -4.922 -10.252 -12.504 193 HG13 VAL 25 HG13 VAL 25 -5.641 -9.030 -13.553 194 HG21 VAL 25 HG21 VAL 25 -8.107 -8.156 -12.755 195 HG22 VAL 25 HG22 VAL 25 -7.797 -9.336 -14.028 196 HG23 VAL 25 HG23 VAL 25 -9.012 -9.669 -12.792 197 HA PRO 26 HA PRO 26 -4.400 -14.350 -10.905 198 HB2 PRO 26 HB2 PRO 26 -2.639 -13.946 -13.249 199 HB3 PRO 26 HB3 PRO 26 -3.267 -15.443 -12.555 200 HG2 PRO 26 HG2 PRO 26 -4.227 -14.499 -14.852 201 HG3 PRO 26 HG3 PRO 26 -5.297 -15.260 -13.658 202 HD2 PRO 26 HD2 PRO 26 -4.869 -12.350 -14.242 203 HD3 PRO 26 HD3 PRO 26 -6.383 -13.223 -13.914 204 H GLY 27 HN GLY 27 -3.554 -11.218 -12.142 205 HA2 GLY 27 HA1 GLY 27 -0.925 -11.094 -11.033 206 HA3 GLY 27 HA2 GLY 27 -1.879 -9.728 -11.595 207 H VAL 28 HN VAL 28 -3.995 -10.983 -9.614 208 HA VAL 28 HA VAL 28 -3.100 -9.354 -7.359 209 HB VAL 28 HB VAL 28 -5.791 -10.578 -7.984 210 HG11 VAL 28 HG11 VAL 28 -4.861 -8.933 -5.649 211 HG12 VAL 28 HG12 VAL 28 -6.557 -9.024 -6.121 212 HG13 VAL 28 HG13 VAL 28 -5.698 -10.485 -5.634 213 HG21 VAL 28 HG21 VAL 28 -6.255 -7.965 -7.992 214 HG22 VAL 28 HG22 VAL 28 -4.554 -7.929 -8.458 215 HG23 VAL 28 HG23 VAL 28 -5.717 -8.830 -9.432 216 H GLN 29 HN GLN 29 -2.067 -10.332 -5.764 217 HA GLN 29 HA GLN 29 -2.215 -13.183 -5.373 218 HB2 GLN 29 HB2 GLN 29 -0.310 -11.246 -4.846 219 HB3 GLN 29 HB3 GLN 29 -0.926 -11.635 -3.248 220 HG2 GLN 29 HG2 GLN 29 -0.492 -14.064 -4.653 221 HG3 GLN 29 HG3 GLN 29 0.948 -13.056 -4.805 222 HE21 GLN 29 HE21 GLN 29 -0.654 -15.249 -2.909 223 HE22 GLN 29 HE22 GLN 29 0.201 -15.004 -1.424 224 H SER 30 HN SER 30 -3.301 -10.277 -3.699 225 HA SER 30 HA SER 30 -5.408 -11.787 -2.412 226 HB2 SER 30 HB2 SER 30 -4.346 -10.159 -0.332 227 HB3 SER 30 HB3 SER 30 -4.477 -11.916 -0.373 228 HG SER 30 HG SER 30 -2.416 -12.087 -0.915 229 H ALA 31 HN ALA 31 -7.216 -10.571 -2.140 230 HA ALA 31 HA ALA 31 -6.963 -7.658 -2.512 231 HB1 ALA 31 HB1 ALA 31 -8.278 -7.681 -4.305 232 HB2 ALA 31 HB2 ALA 31 -8.149 -9.441 -4.301 233 HB3 ALA 31 HB3 ALA 31 -9.491 -8.653 -3.471 234 H LEU 32 HN LEU 32 -7.360 -6.896 -0.520 235 HA LEU 32 HA LEU 32 -9.711 -7.937 0.921 236 HB2 LEU 32 HB2 LEU 32 -7.335 -6.389 1.967 237 HB3 LEU 32 HB3 LEU 32 -8.691 -6.933 2.936 238 HG LEU 32 HG LEU 32 -7.805 -9.268 1.752 239 HD11 LEU 32 HD11 LEU 32 -5.805 -8.123 0.924 240 HD12 LEU 32 HD12 LEU 32 -5.410 -7.625 2.569 241 HD13 LEU 32 HD13 LEU 32 -5.402 -9.336 2.138 242 HD21 LEU 32 HD21 LEU 32 -7.059 -8.112 4.436 243 HD22 LEU 32 HD22 LEU 32 -8.546 -8.982 4.058 244 HD23 LEU 32 HD23 LEU 32 -6.992 -9.817 3.988 245 H VAL 33 HN VAL 33 -11.377 -6.715 0.165 246 HA VAL 33 HA VAL 33 -11.000 -3.829 -0.113 247 HB VAL 33 HB VAL 33 -13.525 -5.345 -0.746 248 HG11 VAL 33 HG11 VAL 33 -13.542 -2.844 -0.605 249 HG12 VAL 33 HG12 VAL 33 -12.416 -2.823 -1.963 250 HG13 VAL 33 HG13 VAL 33 -14.032 -3.501 -2.166 251 HG21 VAL 33 HG21 VAL 33 -12.771 -6.001 -2.800 252 HG22 VAL 33 HG22 VAL 33 -11.569 -4.715 -2.895 253 HG23 VAL 33 HG23 VAL 33 -11.270 -6.130 -1.885 254 H SER 34 HN SER 34 -11.759 -2.390 1.282 255 HA SER 34 HA SER 34 -13.154 -3.381 3.652 256 HB2 SER 34 HB2 SER 34 -12.426 -0.653 3.949 257 HB3 SER 34 HB3 SER 34 -11.688 -2.059 4.718 258 HG SER 34 HG SER 34 -10.854 -0.589 2.504 259 H TYR 35 HN TYR 35 -15.294 -3.279 3.527 260 HA TYR 35 HA TYR 35 -16.884 -1.614 1.969 261 HB2 TYR 35 HB2 TYR 35 -18.095 -3.344 2.844 262 HB3 TYR 35 HB3 TYR 35 -17.303 -3.261 4.410 263 HD1 TYR 35 HD1 TYR 35 -19.574 -1.131 2.327 264 HD2 TYR 35 HD2 TYR 35 -18.653 -2.651 6.193 265 HE1 TYR 35 HE1 TYR 35 -21.547 0.014 3.243 266 HE2 TYR 35 HE2 TYR 35 -20.626 -1.512 7.117 267 HH TYR 35 HH TYR 35 -22.069 0.438 6.555 268 HA PRO 36 HA PRO 36 -17.388 1.357 5.839 269 HB2 PRO 36 HB2 PRO 36 -15.121 1.496 7.409 270 HB3 PRO 36 HB3 PRO 36 -16.574 0.574 7.810 271 HG2 PRO 36 HG2 PRO 36 -14.014 -0.356 6.580 272 HG3 PRO 36 HG3 PRO 36 -15.013 -1.138 7.819 273 HD2 PRO 36 HD2 PRO 36 -15.079 -1.950 5.277 274 HD3 PRO 36 HD3 PRO 36 -16.555 -1.910 6.264 275 H LYS 37 HN LYS 37 -14.242 0.844 4.327 276 HA LYS 37 HA LYS 37 -13.730 3.716 4.364 277 HB2 LYS 37 HB2 LYS 37 -12.090 1.286 4.168 278 HB3 LYS 37 HB3 LYS 37 -11.578 2.592 3.107 279 HG2 LYS 37 HG2 LYS 37 -12.032 2.922 6.061 280 HG3 LYS 37 HG3 LYS 37 -10.467 2.550 5.338 281 HD2 LYS 37 HD2 LYS 37 -10.145 4.729 5.032 282 HD3 LYS 37 HD3 LYS 37 -11.498 4.729 3.897 283 HE2 LYS 37 HE2 LYS 37 -12.724 5.932 5.300 284 HE3 LYS 37 HE3 LYS 37 -12.504 4.736 6.575 285 HZ1 LYS 37 HZ1 LYS 37 -10.437 5.802 7.190 286 HZ2 LYS 37 HZ2 LYS 37 -11.707 6.929 7.232 287 HZ3 LYS 37 HZ3 LYS 37 -10.611 6.932 5.938 288 H GLY 38 HN GLY 38 -14.760 1.200 2.263 289 HA2 GLY 38 HA1 GLY 38 -15.449 1.248 0.068 290 HA3 GLY 38 HA2 GLY 38 -15.220 2.995 0.087 291 H THR 39 HN THR 39 -12.663 0.828 1.002 292 HA THR 39 HA THR 39 -11.279 1.492 -1.515 293 HB THR 39 HB THR 39 -9.147 1.478 -0.078 294 HG1 THR 39 HG1 THR 39 -9.578 2.154 2.122 295 HG21 THR 39 HG21 THR 39 -11.093 3.740 0.377 296 HG22 THR 39 HG22 THR 39 -10.192 3.494 -1.118 297 HG23 THR 39 HG23 THR 39 -9.331 3.835 0.384 298 H ALA 40 HN ALA 40 -9.722 0.004 -2.245 299 HA ALA 40 HA ALA 40 -10.097 -2.707 -1.165 300 HB1 ALA 40 HB1 ALA 40 -10.685 -3.144 -3.282 301 HB2 ALA 40 HB2 ALA 40 -9.996 -1.636 -3.880 302 HB3 ALA 40 HB3 ALA 40 -8.961 -3.045 -3.639 303 H GLN 41 HN GLN 41 -8.446 -3.366 0.034 304 HA GLN 41 HA GLN 41 -5.787 -2.259 -0.394 305 HB2 GLN 41 HB2 GLN 41 -6.751 -4.257 1.666 306 HB3 GLN 41 HB3 GLN 41 -5.176 -3.471 1.646 307 HG2 GLN 41 HG2 GLN 41 -5.982 -1.525 2.457 308 HG3 GLN 41 HG3 GLN 41 -7.533 -1.696 1.636 309 HE21 GLN 41 HE21 GLN 41 -8.780 -3.711 2.515 310 HE22 GLN 41 HE22 GLN 41 -8.913 -3.762 4.242 311 H LEU 42 HN LEU 42 -5.048 -3.130 -2.267 312 HA LEU 42 HA LEU 42 -5.284 -6.019 -2.643 313 HB2 LEU 42 HB2 LEU 42 -4.098 -4.922 -4.915 314 HB3 LEU 42 HB3 LEU 42 -5.760 -5.445 -4.732 315 HG LEU 42 HG LEU 42 -5.767 -2.883 -3.670 316 HD11 LEU 42 HD11 LEU 42 -3.437 -2.729 -4.719 317 HD12 LEU 42 HD12 LEU 42 -4.278 -2.732 -6.270 318 HD13 LEU 42 HD13 LEU 42 -4.595 -1.454 -5.097 319 HD21 LEU 42 HD21 LEU 42 -7.395 -2.572 -5.198 320 HD22 LEU 42 HD22 LEU 42 -6.398 -3.143 -6.536 321 HD23 LEU 42 HD23 LEU 42 -7.189 -4.301 -5.469 322 H ALA 43 HN ALA 43 -3.621 -7.356 -2.705 323 HA ALA 43 HA ALA 43 -0.895 -6.230 -2.649 324 HB1 ALA 43 HB1 ALA 43 -0.516 -7.576 -0.910 325 HB2 ALA 43 HB2 ALA 43 -2.142 -8.249 -1.036 326 HB3 ALA 43 HB3 ALA 43 -0.817 -8.966 -1.953 327 H ILE 44 HN ILE 44 -0.749 -6.032 -4.880 328 HA ILE 44 HA ILE 44 -1.316 -8.359 -6.541 329 HB ILE 44 HB ILE 44 -0.785 -6.756 -8.431 330 HG12 ILE 44 HG12 ILE 44 -1.161 -4.566 -6.410 331 HG13 ILE 44 HG13 ILE 44 0.450 -5.199 -6.733 332 HG21 ILE 44 HG21 ILE 44 -3.051 -6.189 -6.531 333 HG22 ILE 44 HG22 ILE 44 -2.953 -5.532 -8.163 334 HG23 ILE 44 HG23 ILE 44 -3.057 -7.277 -7.919 335 HD11 ILE 44 HD11 ILE 44 -0.844 -3.187 -8.110 336 HD12 ILE 44 HD12 ILE 44 0.614 -4.041 -8.616 337 HD13 ILE 44 HD13 ILE 44 -0.967 -4.586 -9.177 338 H VAL 45 HN VAL 45 0.226 -8.879 -8.290 339 HA VAL 45 HA VAL 45 2.940 -9.035 -7.266 340 HB VAL 45 HB VAL 45 1.788 -10.099 -9.858 341 HG11 VAL 45 HG11 VAL 45 4.336 -10.909 -8.471 342 HG12 VAL 45 HG12 VAL 45 3.763 -11.423 -10.057 343 HG13 VAL 45 HG13 VAL 45 4.269 -9.752 -9.801 344 HG21 VAL 45 HG21 VAL 45 0.888 -11.764 -8.701 345 HG22 VAL 45 HG22 VAL 45 2.453 -12.136 -7.980 346 HG23 VAL 45 HG23 VAL 45 1.380 -10.973 -7.202 347 HA PRO 46 HA PRO 46 4.267 -5.240 -9.279 348 HB2 PRO 46 HB2 PRO 46 6.825 -6.774 -9.108 349 HB3 PRO 46 HB3 PRO 46 6.494 -5.090 -8.684 350 HG2 PRO 46 HG2 PRO 46 6.724 -6.931 -6.786 351 HG3 PRO 46 HG3 PRO 46 5.497 -5.655 -6.666 352 HD2 PRO 46 HD2 PRO 46 5.178 -8.537 -7.347 353 HD3 PRO 46 HD3 PRO 46 4.074 -7.450 -6.480 354 H GLY 47 HN GLY 47 3.801 -5.042 -11.349 355 HA2 GLY 47 HA1 GLY 47 4.933 -5.525 -13.622 356 HA3 GLY 47 HA2 GLY 47 4.505 -7.190 -13.227 357 H THR 48 HN THR 48 2.091 -6.794 -11.988 358 HA THR 48 HA THR 48 0.271 -6.131 -14.096 359 HB THR 48 HB THR 48 -0.821 -6.256 -11.365 360 HG1 THR 48 HG1 THR 48 0.803 -7.721 -10.961 361 HG21 THR 48 HG21 THR 48 -2.131 -6.440 -13.488 362 HG22 THR 48 HG22 THR 48 -2.379 -7.786 -12.376 363 HG23 THR 48 HG23 THR 48 -1.337 -7.985 -13.785 364 H SER 49 HN SER 49 -0.260 -4.129 -14.628 365 HA SER 49 HA SER 49 0.652 -1.955 -13.046 366 HB2 SER 49 HB2 SER 49 -1.166 -1.246 -15.212 367 HB3 SER 49 HB3 SER 49 0.537 -0.832 -14.993 368 HG SER 49 HG SER 49 1.123 -2.746 -15.937 369 HA PRO 50 HA PRO 50 -3.047 -1.557 -10.591 370 HB2 PRO 50 HB2 PRO 50 -1.944 1.090 -9.899 371 HB3 PRO 50 HB3 PRO 50 -2.340 -0.268 -8.843 372 HG2 PRO 50 HG2 PRO 50 0.206 0.405 -9.370 373 HG3 PRO 50 HG3 PRO 50 -0.288 -1.283 -9.150 374 HD2 PRO 50 HD2 PRO 50 0.281 0.213 -11.683 375 HD3 PRO 50 HD3 PRO 50 0.697 -1.458 -11.238 376 H ASP 51 HN ASP 51 -1.918 0.654 -12.972 377 HA ASP 51 HA ASP 51 -4.188 2.369 -13.040 378 HB2 ASP 51 HB2 ASP 51 -1.814 2.708 -14.059 379 HB3 ASP 51 HB3 ASP 51 -2.426 1.760 -15.409 380 H ALA 52 HN ALA 52 -3.410 -0.774 -14.152 381 HA ALA 52 HA ALA 52 -5.432 -0.877 -16.184 382 HB1 ALA 52 HB1 ALA 52 -4.699 -3.008 -16.670 383 HB2 ALA 52 HB2 ALA 52 -3.236 -2.274 -16.011 384 HB3 ALA 52 HB3 ALA 52 -4.221 -3.335 -15.004 385 H LEU 53 HN LEU 53 -5.080 -1.706 -12.837 386 HA LEU 53 HA LEU 53 -7.506 -3.168 -12.570 387 HB2 LEU 53 HB2 LEU 53 -6.086 -1.636 -10.393 388 HB3 LEU 53 HB3 LEU 53 -7.152 -3.016 -10.208 389 HG LEU 53 HG LEU 53 -4.474 -3.160 -11.591 390 HD11 LEU 53 HD11 LEU 53 -4.517 -4.523 -9.089 391 HD12 LEU 53 HD12 LEU 53 -3.460 -3.216 -9.620 392 HD13 LEU 53 HD13 LEU 53 -4.993 -2.846 -8.832 393 HD21 LEU 53 HD21 LEU 53 -6.193 -5.361 -10.458 394 HD22 LEU 53 HD22 LEU 53 -6.196 -4.884 -12.156 395 HD23 LEU 53 HD23 LEU 53 -4.727 -5.529 -11.423 396 H THR 54 HN THR 54 -6.555 0.199 -12.020 397 HA THR 54 HA THR 54 -9.014 1.196 -11.166 398 HB THR 54 HB THR 54 -6.975 2.606 -12.904 399 HG1 THR 54 HG1 THR 54 -7.030 1.926 -10.195 400 HG21 THR 54 HG21 THR 54 -8.953 3.769 -10.940 401 HG22 THR 54 HG22 THR 54 -9.180 3.746 -12.689 402 HG23 THR 54 HG23 THR 54 -7.845 4.657 -11.988 403 H ALA 55 HN ALA 55 -7.690 0.949 -14.457 404 HA ALA 55 HA ALA 55 -10.015 1.953 -15.726 405 HB1 ALA 55 HB1 ALA 55 -9.014 1.021 -17.800 406 HB2 ALA 55 HB2 ALA 55 -7.902 2.027 -16.871 407 HB3 ALA 55 HB3 ALA 55 -7.762 0.269 -16.812 408 H ALA 56 HN ALA 56 -9.027 -1.262 -14.749 409 HA ALA 56 HA ALA 56 -11.023 -2.689 -16.145 410 HB1 ALA 56 HB1 ALA 56 -9.971 -3.561 -13.476 411 HB2 ALA 56 HB2 ALA 56 -10.448 -4.547 -14.859 412 HB3 ALA 56 HB3 ALA 56 -8.957 -3.606 -14.918 413 H VAL 57 HN VAL 57 -10.951 -1.390 -12.821 414 HA VAL 57 HA VAL 57 -13.582 -2.252 -12.210 415 HB VAL 57 HB VAL 57 -11.993 -0.042 -10.926 416 HG11 VAL 57 HG11 VAL 57 -14.644 -0.446 -10.605 417 HG12 VAL 57 HG12 VAL 57 -14.001 -1.527 -9.368 418 HG13 VAL 57 HG13 VAL 57 -13.587 0.188 -9.344 419 HG21 VAL 57 HG21 VAL 57 -10.715 -1.640 -10.067 420 HG22 VAL 57 HG22 VAL 57 -12.140 -2.325 -9.285 421 HG23 VAL 57 HG23 VAL 57 -11.664 -2.876 -10.891 422 H ALA 58 HN ALA 58 -12.271 0.860 -13.366 423 HA ALA 58 HA ALA 58 -14.754 2.213 -13.354 424 HB1 ALA 58 HB1 ALA 58 -12.444 2.784 -15.197 425 HB2 ALA 58 HB2 ALA 58 -13.675 3.909 -14.624 426 HB3 ALA 58 HB3 ALA 58 -12.478 3.267 -13.501 427 H GLY 59 HN GLY 59 -13.279 0.000 -15.587 428 HA2 GLY 59 HA1 GLY 59 -15.196 0.605 -17.690 429 HA3 GLY 59 HA2 GLY 59 -13.901 -0.581 -17.767 430 H LEU 60 HN LEU 60 -15.378 -1.083 -14.893 431 HA LEU 60 HA LEU 60 -16.952 -3.272 -15.999 432 HB2 LEU 60 HB2 LEU 60 -15.384 -2.873 -13.606 433 HB3 LEU 60 HB3 LEU 60 -16.977 -3.497 -13.229 434 HG LEU 60 HG LEU 60 -15.395 -4.833 -15.375 435 HD11 LEU 60 HD11 LEU 60 -14.126 -6.123 -13.867 436 HD12 LEU 60 HD12 LEU 60 -13.902 -4.445 -13.369 437 HD13 LEU 60 HD13 LEU 60 -15.001 -5.494 -12.471 438 HD21 LEU 60 HD21 LEU 60 -17.299 -5.826 -13.254 439 HD22 LEU 60 HD22 LEU 60 -17.697 -5.521 -14.944 440 HD23 LEU 60 HD23 LEU 60 -16.565 -6.806 -14.524 441 H GLY 61 HN GLY 61 -17.624 -0.280 -15.584 442 HA2 GLY 61 HA1 GLY 61 -19.866 0.523 -15.668 443 HA3 GLY 61 HA2 GLY 61 -20.357 -0.830 -14.659 444 H TYR 62 HN TYR 62 -17.764 -0.049 -13.089 445 HA TYR 62 HA TYR 62 -19.145 1.884 -11.368 446 HB2 TYR 62 HB2 TYR 62 -16.691 0.440 -10.468 447 HB3 TYR 62 HB3 TYR 62 -18.103 0.927 -9.542 448 HD1 TYR 62 HD2 TYR 62 -20.342 -0.352 -10.288 449 HD2 TYR 62 HD1 TYR 62 -16.383 -1.819 -10.821 450 HE1 TYR 62 HE2 TYR 62 -21.213 -2.645 -10.405 451 HE2 TYR 62 HE1 TYR 62 -17.248 -4.119 -10.937 452 HH TYR 62 HH TYR 62 -20.710 -4.770 -11.018 453 H LYS 63 HN LYS 63 -16.887 2.789 -9.953 454 HA LYS 63 HA LYS 63 -15.067 3.793 -12.024 455 HB2 LYS 63 HB2 LYS 63 -16.872 5.353 -10.375 456 HB3 LYS 63 HB3 LYS 63 -15.199 5.808 -10.083 457 HG2 LYS 63 HG2 LYS 63 -16.567 5.744 -12.762 458 HG3 LYS 63 HG3 LYS 63 -16.209 7.186 -11.812 459 HD2 LYS 63 HD2 LYS 63 -13.774 5.870 -11.992 460 HD3 LYS 63 HD3 LYS 63 -14.498 5.660 -13.588 461 HE2 LYS 63 HE2 LYS 63 -14.049 8.264 -12.137 462 HE3 LYS 63 HE3 LYS 63 -13.174 7.681 -13.551 463 HZ1 LYS 63 HZ1 LYS 63 -16.028 8.484 -13.411 464 HZ2 LYS 63 HZ2 LYS 63 -15.349 7.700 -14.746 465 HZ3 LYS 63 HZ3 LYS 63 -14.789 9.238 -14.288 466 H ALA 64 HN ALA 64 -12.932 3.862 -11.410 467 HA ALA 64 HA ALA 64 -12.376 3.128 -8.613 468 HB1 ALA 64 HB1 ALA 64 -10.590 2.343 -10.886 469 HB2 ALA 64 HB2 ALA 64 -10.660 1.684 -9.251 470 HB3 ALA 64 HB3 ALA 64 -11.959 1.346 -10.395 471 H THR 65 HN THR 65 -10.643 4.040 -7.614 472 HA THR 65 HA THR 65 -8.923 5.879 -9.116 473 HB THR 65 HB THR 65 -9.398 6.783 -6.378 474 HG1 THR 65 HG1 THR 65 -11.582 6.223 -7.960 475 HG21 THR 65 HG21 THR 65 -8.980 8.806 -7.282 476 HG22 THR 65 HG22 THR 65 -10.064 8.535 -8.648 477 HG23 THR 65 HG23 THR 65 -8.430 7.870 -8.671 478 H LEU 66 HN LEU 66 -7.460 6.637 -6.745 479 HA LEU 66 HA LEU 66 -6.677 4.179 -5.429 480 HB2 LEU 66 HB2 LEU 66 -4.189 4.997 -6.063 481 HB3 LEU 66 HB3 LEU 66 -5.062 3.764 -6.951 482 HG LEU 66 HG LEU 66 -5.824 6.168 -8.155 483 HD11 LEU 66 HD11 LEU 66 -2.853 6.205 -8.144 484 HD12 LEU 66 HD12 LEU 66 -4.001 7.509 -8.442 485 HD13 LEU 66 HD13 LEU 66 -3.708 6.952 -6.795 486 HD21 LEU 66 HD21 LEU 66 -4.526 3.702 -8.813 487 HD22 LEU 66 HD22 LEU 66 -5.480 4.771 -9.842 488 HD23 LEU 66 HD23 LEU 66 -3.744 5.035 -9.663 489 H ALA 67 HN ALA 67 -6.231 4.617 -3.367 490 HA ALA 67 HA ALA 67 -5.021 7.072 -2.521 491 HB1 ALA 67 HB1 ALA 67 -6.800 8.361 -2.175 492 HB2 ALA 67 HB2 ALA 67 -7.831 7.113 -2.877 493 HB3 ALA 67 HB3 ALA 67 -7.514 7.121 -1.143 494 H ASP 68 HN ASP 68 -3.677 6.067 -1.151 495 HA ASP 68 HA ASP 68 -4.396 3.849 0.413 496 HB2 ASP 68 HB2 ASP 68 -2.020 4.901 -0.289 497 HB3 ASP 68 HB3 ASP 68 -2.148 5.512 1.360 498 H ALA 69 HN ALA 69 -3.777 7.210 1.287 499 HA ALA 69 HA ALA 69 -4.449 8.513 3.013 500 HB1 ALA 69 HB1 ALA 69 -6.813 8.039 3.855 501 HB2 ALA 69 HB2 ALA 69 -6.623 8.424 2.144 502 HB3 ALA 69 HB3 ALA 69 -6.850 6.750 2.654 Start of MODEL 9 1 H1 MET 1 H1 MET 1 1.010 -3.356 -0.923 2 H2 MET 1 H2 MET 1 -0.295 -3.504 0.145 3 H3 MET 1 H3 MET 1 1.260 -3.206 0.748 4 HA MET 1 HA MET 1 -0.264 -1.251 0.704 5 HB2 MET 1 HB2 MET 1 2.496 -1.476 -0.099 6 HB3 MET 1 HB3 MET 1 1.739 -0.121 -0.929 7 HG2 MET 1 HG2 MET 1 2.750 -0.182 1.676 8 HG3 MET 1 HG3 MET 1 1.852 1.119 0.895 9 HE1 MET 1 HE1 MET 1 1.731 -0.184 4.368 10 HE2 MET 1 HE2 MET 1 1.820 1.381 3.558 11 HE3 MET 1 HE3 MET 1 0.372 0.936 4.462 12 H THR 2 HN THR 2 -0.020 0.739 -1.182 13 HA THR 2 HA THR 2 -1.024 1.598 -3.019 14 HB THR 2 HB THR 2 -1.137 -1.137 -4.283 15 HG1 THR 2 HG1 THR 2 0.982 -1.105 -3.872 16 HG21 THR 2 HG21 THR 2 -1.169 -0.008 -6.314 17 HG22 THR 2 HG22 THR 2 -0.466 1.456 -5.627 18 HG23 THR 2 HG23 THR 2 -2.147 1.045 -5.287 19 H HIS 3 HN HIS 3 -2.856 2.004 -1.700 20 HA HIS 3 HA HIS 3 -4.997 0.033 -1.757 21 HB2 HIS 3 HB2 HIS 3 -5.749 2.600 -0.597 22 HB3 HIS 3 HB3 HIS 3 -5.834 0.991 0.099 23 HD1 HIS 3 HD1 HIS 3 -4.681 3.990 1.114 24 HD2 HIS 3 HD2 HIS 3 -2.705 0.362 0.628 25 HE1 HIS 3 HE1 HIS 3 -2.655 4.118 2.590 26 HE2 HIS 3 HE2 HIS 3 -1.345 2.039 2.058 27 H LEU 4 HN LEU 4 -6.726 0.136 -2.987 28 HA LEU 4 HA LEU 4 -6.894 2.241 -4.995 29 HB2 LEU 4 HB2 LEU 4 -7.148 -0.427 -5.231 30 HB3 LEU 4 HB3 LEU 4 -8.824 -0.015 -4.932 31 HG LEU 4 HG LEU 4 -8.272 1.759 -6.881 32 HD11 LEU 4 HD11 LEU 4 -6.835 0.874 -8.529 33 HD12 LEU 4 HD12 LEU 4 -5.939 0.792 -7.013 34 HD13 LEU 4 HD13 LEU 4 -6.681 -0.663 -7.679 35 HD21 LEU 4 HD21 LEU 4 -9.142 -1.112 -7.121 36 HD22 LEU 4 HD22 LEU 4 -10.159 0.319 -6.967 37 HD23 LEU 4 HD23 LEU 4 -9.239 0.047 -8.446 38 H LYS 5 HN LYS 5 -8.946 3.282 -5.410 39 HA LYS 5 HA LYS 5 -10.578 3.499 -2.968 40 HB2 LYS 5 HB2 LYS 5 -9.286 5.485 -4.404 41 HB3 LYS 5 HB3 LYS 5 -10.960 5.629 -4.909 42 HG2 LYS 5 HG2 LYS 5 -10.073 5.583 -2.033 43 HG3 LYS 5 HG3 LYS 5 -10.318 7.060 -2.967 44 HD2 LYS 5 HD2 LYS 5 -12.490 5.008 -2.773 45 HD3 LYS 5 HD3 LYS 5 -12.240 6.166 -1.466 46 HE2 LYS 5 HE2 LYS 5 -12.184 7.663 -3.829 47 HE3 LYS 5 HE3 LYS 5 -13.521 6.529 -4.016 48 HZ1 LYS 5 HZ1 LYS 5 -13.168 8.193 -1.588 49 HZ2 LYS 5 HZ2 LYS 5 -14.544 7.327 -2.069 50 HZ3 LYS 5 HZ3 LYS 5 -14.070 8.712 -2.930 51 H ILE 6 HN ILE 6 -12.659 3.038 -3.045 52 HA ILE 6 HA ILE 6 -13.737 2.075 -5.594 53 HB ILE 6 HB ILE 6 -14.836 1.690 -2.805 54 HG12 ILE 6 HG12 ILE 6 -12.689 0.570 -2.996 55 HG13 ILE 6 HG13 ILE 6 -13.976 -0.630 -3.013 56 HG21 ILE 6 HG21 ILE 6 -15.920 1.176 -5.413 57 HG22 ILE 6 HG22 ILE 6 -15.729 -0.333 -4.520 58 HG23 ILE 6 HG23 ILE 6 -16.674 0.988 -3.830 59 HD11 ILE 6 HD11 ILE 6 -12.841 -1.457 -4.755 60 HD12 ILE 6 HD12 ILE 6 -13.657 -0.185 -5.664 61 HD13 ILE 6 HD13 ILE 6 -12.015 0.068 -5.074 62 H THR 7 HN THR 7 -15.114 3.283 -6.681 63 HA THR 7 HA THR 7 -16.844 5.153 -5.226 64 HB THR 7 HB THR 7 -16.325 6.325 -7.739 65 HG1 THR 7 HG1 THR 7 -14.347 4.883 -7.485 66 HG21 THR 7 HG21 THR 7 -16.851 7.600 -5.775 67 HG22 THR 7 HG22 THR 7 -15.251 8.096 -6.327 68 HG23 THR 7 HG23 THR 7 -15.412 7.013 -4.945 69 H GLY 8 HN GLY 8 -18.738 5.837 -6.553 70 HA2 GLY 8 HA1 GLY 8 -20.380 5.414 -8.168 71 HA3 GLY 8 HA2 GLY 8 -19.440 4.041 -8.743 72 H MET 9 HN MET 9 -19.172 2.333 -6.847 73 HA MET 9 HA MET 9 -21.867 1.511 -6.198 74 HB2 MET 9 HB2 MET 9 -19.291 0.132 -5.425 75 HB3 MET 9 HB3 MET 9 -20.902 -0.558 -5.439 76 HG2 MET 9 HG2 MET 9 -20.835 0.032 -7.974 77 HG3 MET 9 HG3 MET 9 -19.092 0.047 -7.719 78 HE1 MET 9 HE1 MET 9 -22.336 -1.901 -7.084 79 HE2 MET 9 HE2 MET 9 -21.988 -2.249 -8.778 80 HE3 MET 9 HE3 MET 9 -21.920 -3.542 -7.581 81 H THR 10 HN THR 10 -22.750 1.337 -4.173 82 HA THR 10 HA THR 10 -21.726 3.231 -2.258 83 HB THR 10 HB THR 10 -24.054 1.655 -1.478 84 HG1 THR 10 HG1 THR 10 -25.082 1.736 -3.328 85 HG21 THR 10 HG21 THR 10 -23.102 4.056 -0.793 86 HG22 THR 10 HG22 THR 10 -24.818 3.662 -0.702 87 HG23 THR 10 HG23 THR 10 -24.191 4.556 -2.087 88 H CYS 11 HN CYS 11 -20.139 0.904 -2.545 89 HA CYS 11 HA CYS 11 -19.168 -0.873 -1.539 90 HB2 CYS 11 HB2 CYS 11 -18.579 -0.501 0.846 91 HB3 CYS 11 HB3 CYS 11 -18.176 0.820 -0.234 92 HG CYS 11 HG CYS 11 -19.945 2.604 0.702 93 H ASP 12 HN ASP 12 -19.204 -2.418 0.427 94 HA ASP 12 HA ASP 12 -20.129 -4.309 1.229 95 HB2 ASP 12 HB2 ASP 12 -21.394 -2.376 2.531 96 HB3 ASP 12 HB3 ASP 12 -22.785 -3.044 1.680 97 H SER 13 HN SER 13 -20.722 -6.064 0.218 98 HA SER 13 HA SER 13 -21.620 -7.486 -1.311 99 HB2 SER 13 HB2 SER 13 -23.782 -5.414 -1.795 100 HB3 SER 13 HB3 SER 13 -23.834 -7.120 -2.236 101 HG SER 13 HG SER 13 -23.309 -6.752 0.418 102 H CYS 14 HN CYS 14 -21.851 -4.125 -2.411 103 HA CYS 14 HA CYS 14 -21.166 -4.454 -5.087 104 HB2 CYS 14 HB2 CYS 14 -20.216 -2.179 -3.341 105 HB3 CYS 14 HB3 CYS 14 -20.602 -2.132 -5.053 106 HG CYS 14 HG CYS 14 -22.665 -1.967 -2.379 107 H ALA 15 HN ALA 15 -19.194 -4.168 -2.208 108 HA ALA 15 HA ALA 15 -16.674 -3.983 -3.442 109 HB1 ALA 15 HB1 ALA 15 -17.448 -4.979 -0.700 110 HB2 ALA 15 HB2 ALA 15 -15.793 -4.664 -1.221 111 HB3 ALA 15 HB3 ALA 15 -16.958 -3.343 -1.144 112 H ALA 16 HN ALA 16 -18.753 -6.696 -2.844 113 HA ALA 16 HA ALA 16 -16.770 -8.725 -2.890 114 HB1 ALA 16 HB1 ALA 16 -19.359 -9.584 -3.868 115 HB2 ALA 16 HB2 ALA 16 -18.476 -10.078 -2.424 116 HB3 ALA 16 HB3 ALA 16 -19.484 -8.631 -2.389 117 H HIS 17 HN HIS 17 -18.896 -7.365 -5.392 118 HA HIS 17 HA HIS 17 -17.995 -9.067 -7.463 119 HB2 HIS 17 HB2 HIS 17 -20.012 -7.257 -7.279 120 HB3 HIS 17 HB3 HIS 17 -18.860 -6.358 -8.264 121 HD1 HIS 17 HD1 HIS 17 -20.035 -6.528 -10.506 122 HD2 HIS 17 HD2 HIS 17 -19.473 -10.221 -8.666 123 HE1 HIS 17 HE1 HIS 17 -20.664 -8.255 -12.228 124 HE2 HIS 17 HE2 HIS 17 -20.097 -10.471 -11.162 125 H VAL 18 HN VAL 18 -16.978 -5.866 -6.369 126 HA VAL 18 HA VAL 18 -15.043 -5.418 -8.371 127 HB VAL 18 HB VAL 18 -15.052 -4.412 -5.516 128 HG11 VAL 18 HG11 VAL 18 -13.140 -3.378 -5.962 129 HG12 VAL 18 HG12 VAL 18 -13.086 -4.181 -7.530 130 HG13 VAL 18 HG13 VAL 18 -13.862 -2.604 -7.373 131 HG21 VAL 18 HG21 VAL 18 -16.988 -3.493 -6.283 132 HG22 VAL 18 HG22 VAL 18 -15.854 -2.297 -6.912 133 HG23 VAL 18 HG23 VAL 18 -16.481 -3.560 -7.972 134 H LYS 19 HN LYS 19 -14.820 -6.855 -5.135 135 HA LYS 19 HA LYS 19 -12.089 -7.405 -5.107 136 HB2 LYS 19 HB2 LYS 19 -13.804 -7.651 -3.218 137 HB3 LYS 19 HB3 LYS 19 -14.162 -9.231 -3.900 138 HG2 LYS 19 HG2 LYS 19 -11.317 -8.779 -3.488 139 HG3 LYS 19 HG3 LYS 19 -12.266 -8.686 -2.003 140 HD2 LYS 19 HD2 LYS 19 -13.322 -10.893 -3.224 141 HD3 LYS 19 HD3 LYS 19 -11.623 -10.997 -3.687 142 HE2 LYS 19 HE2 LYS 19 -12.680 -10.714 -0.878 143 HE3 LYS 19 HE3 LYS 19 -12.066 -12.197 -1.599 144 HZ1 LYS 19 HZ1 LYS 19 -10.282 -11.377 -0.395 145 HZ2 LYS 19 HZ2 LYS 19 -10.574 -9.767 -0.840 146 HZ3 LYS 19 HZ3 LYS 19 -9.939 -10.857 -1.974 147 H GLU 20 HN GLU 20 -14.783 -9.471 -6.168 148 HA GLU 20 HA GLU 20 -13.118 -11.627 -6.890 149 HB2 GLU 20 HB2 GLU 20 -15.027 -12.739 -7.383 150 HB3 GLU 20 HB3 GLU 20 -15.759 -11.409 -6.503 151 HG2 GLU 20 HG2 GLU 20 -16.516 -10.379 -8.452 152 HG3 GLU 20 HG3 GLU 20 -15.407 -11.294 -9.474 153 H ALA 21 HN ALA 21 -14.268 -8.835 -8.679 154 HA ALA 21 HA ALA 21 -13.460 -9.758 -11.240 155 HB1 ALA 21 HB1 ALA 21 -14.418 -7.250 -10.081 156 HB2 ALA 21 HB2 ALA 21 -13.275 -7.031 -11.406 157 HB3 ALA 21 HB3 ALA 21 -14.747 -7.970 -11.657 158 H LEU 22 HN LEU 22 -11.897 -7.977 -8.654 159 HA LEU 22 HA LEU 22 -9.486 -7.422 -10.040 160 HB2 LEU 22 HB2 LEU 22 -10.239 -7.532 -7.133 161 HB3 LEU 22 HB3 LEU 22 -8.584 -7.245 -7.630 162 HG LEU 22 HG LEU 22 -10.862 -5.524 -8.576 163 HD11 LEU 22 HD11 LEU 22 -11.070 -4.762 -6.498 164 HD12 LEU 22 HD12 LEU 22 -9.655 -5.656 -5.942 165 HD13 LEU 22 HD13 LEU 22 -9.459 -4.072 -6.691 166 HD21 LEU 22 HD21 LEU 22 -9.262 -4.676 -9.854 167 HD22 LEU 22 HD22 LEU 22 -8.486 -4.087 -8.384 168 HD23 LEU 22 HD23 LEU 22 -8.026 -5.650 -9.061 169 H GLU 23 HN GLU 23 -10.418 -9.946 -7.723 170 HA GLU 23 HA GLU 23 -7.891 -11.279 -7.942 171 HB2 GLU 23 HB2 GLU 23 -10.430 -11.744 -6.476 172 HB3 GLU 23 HB3 GLU 23 -9.379 -13.132 -6.737 173 HG2 GLU 23 HG2 GLU 23 -7.580 -12.093 -5.590 174 HG3 GLU 23 HG3 GLU 23 -8.424 -10.547 -5.539 175 H LYS 24 HN LYS 24 -10.587 -11.202 -9.945 176 HA LYS 24 HA LYS 24 -10.290 -13.795 -11.113 177 HB2 LYS 24 HB2 LYS 24 -12.042 -11.649 -11.430 178 HB3 LYS 24 HB3 LYS 24 -11.172 -11.720 -12.956 179 HG2 LYS 24 HG2 LYS 24 -12.101 -13.691 -13.554 180 HG3 LYS 24 HG3 LYS 24 -12.195 -14.279 -11.894 181 HD2 LYS 24 HD2 LYS 24 -13.905 -11.986 -12.294 182 HD3 LYS 24 HD3 LYS 24 -14.282 -13.272 -13.442 183 HE2 LYS 24 HE2 LYS 24 -13.906 -13.907 -10.544 184 HE3 LYS 24 HE3 LYS 24 -15.440 -13.248 -11.109 185 HZ1 LYS 24 HZ1 LYS 24 -15.167 -15.155 -12.875 186 HZ2 LYS 24 HZ2 LYS 24 -15.846 -15.453 -11.352 187 HZ3 LYS 24 HZ3 LYS 24 -14.222 -15.857 -11.648 188 H VAL 25 HN VAL 25 -8.689 -10.757 -11.344 189 HA VAL 25 HA VAL 25 -7.165 -11.395 -13.706 190 HB VAL 25 HB VAL 25 -6.882 -9.217 -11.622 191 HG11 VAL 25 HG11 VAL 25 -4.690 -9.695 -12.549 192 HG12 VAL 25 HG12 VAL 25 -5.336 -9.590 -14.186 193 HG13 VAL 25 HG13 VAL 25 -5.284 -8.153 -13.166 194 HG21 VAL 25 HG21 VAL 25 -7.810 -7.751 -13.254 195 HG22 VAL 25 HG22 VAL 25 -7.738 -8.997 -14.501 196 HG23 VAL 25 HG23 VAL 25 -8.864 -9.163 -13.153 197 HA PRO 26 HA PRO 26 -4.480 -14.166 -11.519 198 HB2 PRO 26 HB2 PRO 26 -2.480 -14.239 -13.408 199 HB3 PRO 26 HB3 PRO 26 -3.969 -15.185 -13.492 200 HG2 PRO 26 HG2 PRO 26 -3.277 -12.609 -14.842 201 HG3 PRO 26 HG3 PRO 26 -4.142 -14.015 -15.488 202 HD2 PRO 26 HD2 PRO 26 -5.438 -11.796 -14.701 203 HD3 PRO 26 HD3 PRO 26 -6.135 -13.413 -14.470 204 H GLY 27 HN GLY 27 -3.652 -10.948 -12.391 205 HA2 GLY 27 HA1 GLY 27 -1.012 -11.034 -11.193 206 HA3 GLY 27 HA2 GLY 27 -1.804 -9.619 -11.867 207 H VAL 28 HN VAL 28 -4.158 -10.732 -10.026 208 HA VAL 28 HA VAL 28 -3.312 -9.124 -7.735 209 HB VAL 28 HB VAL 28 -6.032 -10.144 -8.566 210 HG11 VAL 28 HG11 VAL 28 -6.204 -8.199 -6.498 211 HG12 VAL 28 HG12 VAL 28 -6.783 -9.865 -6.495 212 HG13 VAL 28 HG13 VAL 28 -5.145 -9.498 -5.952 213 HG21 VAL 28 HG21 VAL 28 -6.213 -7.446 -8.348 214 HG22 VAL 28 HG22 VAL 28 -4.543 -7.632 -8.885 215 HG23 VAL 28 HG23 VAL 28 -5.861 -8.304 -9.847 216 H GLN 29 HN GLN 29 -2.489 -10.101 -6.029 217 HA GLN 29 HA GLN 29 -2.827 -12.958 -5.689 218 HB2 GLN 29 HB2 GLN 29 -0.699 -12.713 -5.042 219 HB3 GLN 29 HB3 GLN 29 -0.862 -10.968 -4.972 220 HG2 GLN 29 HG2 GLN 29 -1.986 -11.445 -2.670 221 HG3 GLN 29 HG3 GLN 29 -1.146 -12.992 -2.798 222 HE21 GLN 29 HE21 GLN 29 1.189 -12.227 -4.032 223 HE22 GLN 29 HE22 GLN 29 2.085 -11.160 -2.998 224 H SER 30 HN SER 30 -3.794 -9.961 -4.161 225 HA SER 30 HA SER 30 -5.997 -11.296 -2.888 226 HB2 SER 30 HB2 SER 30 -3.599 -10.595 -1.354 227 HB3 SER 30 HB3 SER 30 -5.074 -9.897 -0.694 228 HG SER 30 HG SER 30 -4.202 -12.462 -0.638 229 H ALA 31 HN ALA 31 -7.643 -9.885 -2.341 230 HA ALA 31 HA ALA 31 -7.131 -7.016 -2.705 231 HB1 ALA 31 HB1 ALA 31 -8.192 -7.288 -4.697 232 HB2 ALA 31 HB2 ALA 31 -9.038 -8.745 -4.172 233 HB3 ALA 31 HB3 ALA 31 -9.622 -7.156 -3.674 234 H LEU 32 HN LEU 32 -7.219 -6.594 -0.511 235 HA LEU 32 HA LEU 32 -9.490 -7.574 1.029 236 HB2 LEU 32 HB2 LEU 32 -7.614 -5.648 2.258 237 HB3 LEU 32 HB3 LEU 32 -8.275 -7.141 2.898 238 HG LEU 32 HG LEU 32 -6.216 -7.291 0.740 239 HD11 LEU 32 HD11 LEU 32 -4.416 -6.938 2.136 240 HD12 LEU 32 HD12 LEU 32 -5.538 -5.681 2.658 241 HD13 LEU 32 HD13 LEU 32 -5.375 -7.163 3.600 242 HD21 LEU 32 HD21 LEU 32 -7.531 -9.250 1.751 243 HD22 LEU 32 HD22 LEU 32 -5.779 -9.406 1.617 244 HD23 LEU 32 HD23 LEU 32 -6.513 -9.016 3.172 245 H VAL 33 HN VAL 33 -11.055 -6.394 -0.212 246 HA VAL 33 HA VAL 33 -10.958 -3.560 -0.438 247 HB VAL 33 HB VAL 33 -13.469 -5.198 -0.607 248 HG11 VAL 33 HG11 VAL 33 -13.624 -2.720 -0.694 249 HG12 VAL 33 HG12 VAL 33 -12.606 -2.749 -2.135 250 HG13 VAL 33 HG13 VAL 33 -14.192 -3.516 -2.163 251 HG21 VAL 33 HG21 VAL 33 -12.321 -4.828 -3.178 252 HG22 VAL 33 HG22 VAL 33 -11.117 -5.587 -2.136 253 HG23 VAL 33 HG23 VAL 33 -12.698 -6.337 -2.347 254 H SER 34 HN SER 34 -11.277 -2.154 1.091 255 HA SER 34 HA SER 34 -12.571 -2.889 3.579 256 HB2 SER 34 HB2 SER 34 -11.865 -0.150 3.583 257 HB3 SER 34 HB3 SER 34 -11.014 -1.477 4.375 258 HG SER 34 HG SER 34 -9.602 -1.583 2.756 259 H TYR 35 HN TYR 35 -14.709 -3.121 2.746 260 HA TYR 35 HA TYR 35 -16.098 -1.246 1.287 261 HB2 TYR 35 HB2 TYR 35 -17.854 -2.620 1.496 262 HB3 TYR 35 HB3 TYR 35 -16.675 -3.702 2.192 263 HD1 TYR 35 HD1 TYR 35 -19.304 -1.226 3.082 264 HD2 TYR 35 HD2 TYR 35 -16.974 -4.550 4.355 265 HE1 TYR 35 HE1 TYR 35 -20.690 -1.420 5.102 266 HE2 TYR 35 HE2 TYR 35 -18.354 -4.748 6.379 267 HH TYR 35 HH TYR 35 -21.042 -3.894 6.867 268 HA PRO 36 HA PRO 36 -17.645 0.872 5.341 269 HB2 PRO 36 HB2 PRO 36 -15.457 0.556 7.259 270 HB3 PRO 36 HB3 PRO 36 -17.183 0.260 7.475 271 HG2 PRO 36 HG2 PRO 36 -15.388 -1.745 7.395 272 HG3 PRO 36 HG3 PRO 36 -17.036 -1.924 6.761 273 HD2 PRO 36 HD2 PRO 36 -14.480 -1.417 5.279 274 HD3 PRO 36 HD3 PRO 36 -15.814 -2.522 4.882 275 H LYS 37 HN LYS 37 -14.477 0.861 4.059 276 HA LYS 37 HA LYS 37 -14.047 3.670 4.813 277 HB2 LYS 37 HB2 LYS 37 -12.322 1.467 4.791 278 HB3 LYS 37 HB3 LYS 37 -11.842 2.433 3.403 279 HG2 LYS 37 HG2 LYS 37 -10.616 3.600 4.834 280 HG3 LYS 37 HG3 LYS 37 -12.136 4.313 5.378 281 HD2 LYS 37 HD2 LYS 37 -12.125 2.026 6.814 282 HD3 LYS 37 HD3 LYS 37 -10.392 2.328 6.683 283 HE2 LYS 37 HE2 LYS 37 -10.528 3.868 8.266 284 HE3 LYS 37 HE3 LYS 37 -11.667 4.787 7.286 285 HZ1 LYS 37 HZ1 LYS 37 -13.393 4.113 8.516 286 HZ2 LYS 37 HZ2 LYS 37 -12.231 3.703 9.684 287 HZ3 LYS 37 HZ3 LYS 37 -12.836 2.518 8.634 288 H GLY 38 HN GLY 38 -14.863 1.611 2.220 289 HA2 GLY 38 HA1 GLY 38 -15.455 2.124 0.047 290 HA3 GLY 38 HA2 GLY 38 -15.058 3.805 0.375 291 H THR 39 HN THR 39 -12.768 1.274 1.028 292 HA THR 39 HA THR 39 -11.234 2.059 -1.359 293 HB THR 39 HB THR 39 -9.185 1.620 0.181 294 HG1 THR 39 HG1 THR 39 -10.423 0.893 1.992 295 HG21 THR 39 HG21 THR 39 -10.513 3.917 -0.610 296 HG22 THR 39 HG22 THR 39 -8.895 3.836 0.087 297 HG23 THR 39 HG23 THR 39 -10.289 4.137 1.126 298 H ALA 40 HN ALA 40 -9.328 0.458 -1.622 299 HA ALA 40 HA ALA 40 -10.072 -2.251 -0.772 300 HB1 ALA 40 HB1 ALA 40 -9.224 -1.568 -3.582 301 HB2 ALA 40 HB2 ALA 40 -9.697 -3.152 -2.965 302 HB3 ALA 40 HB3 ALA 40 -10.891 -1.859 -3.086 303 H GLN 41 HN GLN 41 -8.409 -3.075 0.308 304 HA GLN 41 HA GLN 41 -5.739 -1.990 -0.109 305 HB2 GLN 41 HB2 GLN 41 -7.048 -3.675 1.970 306 HB3 GLN 41 HB3 GLN 41 -5.315 -3.865 1.745 307 HG2 GLN 41 HG2 GLN 41 -5.078 -2.164 3.146 308 HG3 GLN 41 HG3 GLN 41 -5.644 -1.134 1.832 309 HE21 GLN 41 HE21 GLN 41 -6.280 0.180 3.750 310 HE22 GLN 41 HE22 GLN 41 -7.846 -0.105 4.421 311 H LEU 42 HN LEU 42 -4.974 -2.763 -2.010 312 HA LEU 42 HA LEU 42 -5.519 -5.503 -2.763 313 HB2 LEU 42 HB2 LEU 42 -4.581 -3.059 -4.127 314 HB3 LEU 42 HB3 LEU 42 -3.956 -4.569 -4.751 315 HG LEU 42 HG LEU 42 -5.986 -5.244 -5.576 316 HD11 LEU 42 HD11 LEU 42 -7.822 -5.290 -4.343 317 HD12 LEU 42 HD12 LEU 42 -6.974 -4.363 -3.105 318 HD13 LEU 42 HD13 LEU 42 -7.918 -3.529 -4.339 319 HD21 LEU 42 HD21 LEU 42 -5.330 -2.547 -6.001 320 HD22 LEU 42 HD22 LEU 42 -6.282 -3.608 -7.039 321 HD23 LEU 42 HD23 LEU 42 -7.083 -2.613 -5.823 322 H ALA 43 HN ALA 43 -3.902 -6.937 -3.482 323 HA ALA 43 HA ALA 43 -1.141 -6.352 -2.681 324 HB1 ALA 43 HB1 ALA 43 -1.433 -7.839 -1.011 325 HB2 ALA 43 HB2 ALA 43 -2.873 -8.539 -1.749 326 HB3 ALA 43 HB3 ALA 43 -1.273 -9.038 -2.296 327 H ILE 44 HN ILE 44 -0.203 -6.176 -4.619 328 HA ILE 44 HA ILE 44 -1.308 -7.668 -6.863 329 HB ILE 44 HB ILE 44 0.332 -6.165 -8.171 330 HG12 ILE 44 HG12 ILE 44 0.180 -4.004 -6.312 331 HG13 ILE 44 HG13 ILE 44 0.938 -5.370 -5.499 332 HG21 ILE 44 HG21 ILE 44 -1.351 -4.165 -7.674 333 HG22 ILE 44 HG22 ILE 44 -1.823 -5.603 -8.579 334 HG23 ILE 44 HG23 ILE 44 -2.229 -5.465 -6.868 335 HD11 ILE 44 HD11 ILE 44 1.884 -3.765 -7.805 336 HD12 ILE 44 HD12 ILE 44 2.767 -4.367 -6.402 337 HD13 ILE 44 HD13 ILE 44 2.349 -5.464 -7.718 338 H VAL 45 HN VAL 45 -0.121 -8.920 -8.257 339 HA VAL 45 HA VAL 45 2.340 -10.072 -7.243 340 HB VAL 45 HB VAL 45 0.479 -10.671 -9.519 341 HG11 VAL 45 HG11 VAL 45 1.983 -11.629 -10.841 342 HG12 VAL 45 HG12 VAL 45 3.230 -10.847 -9.870 343 HG13 VAL 45 HG13 VAL 45 2.718 -12.491 -9.490 344 HG21 VAL 45 HG21 VAL 45 -0.023 -12.550 -8.371 345 HG22 VAL 45 HG22 VAL 45 1.629 -12.772 -7.794 346 HG23 VAL 45 HG23 VAL 45 0.570 -11.599 -7.009 347 HA PRO 46 HA PRO 46 4.979 -7.042 -9.160 348 HB2 PRO 46 HB2 PRO 46 6.758 -9.432 -9.378 349 HB3 PRO 46 HB3 PRO 46 7.118 -7.814 -8.761 350 HG2 PRO 46 HG2 PRO 46 6.724 -9.840 -7.085 351 HG3 PRO 46 HG3 PRO 46 6.099 -8.221 -6.718 352 HD2 PRO 46 HD2 PRO 46 4.643 -10.651 -7.636 353 HD3 PRO 46 HD3 PRO 46 4.101 -9.346 -6.563 354 H GLY 47 HN GLY 47 4.728 -6.395 -11.174 355 HA2 GLY 47 HA1 GLY 47 5.508 -6.832 -13.508 356 HA3 GLY 47 HA2 GLY 47 4.747 -8.412 -13.334 357 H THR 48 HN THR 48 2.487 -7.485 -11.874 358 HA THR 48 HA THR 48 0.825 -6.635 -14.047 359 HB THR 48 HB THR 48 -0.198 -6.650 -11.251 360 HG1 THR 48 HG1 THR 48 0.956 -8.496 -11.079 361 HG21 THR 48 HG21 THR 48 -1.644 -8.288 -13.092 362 HG22 THR 48 HG22 THR 48 -1.268 -6.750 -13.871 363 HG23 THR 48 HG23 THR 48 -2.142 -6.771 -12.339 364 H SER 49 HN SER 49 0.002 -4.692 -14.472 365 HA SER 49 HA SER 49 1.028 -2.439 -13.010 366 HB2 SER 49 HB2 SER 49 -0.801 -1.635 -15.044 367 HB3 SER 49 HB3 SER 49 0.957 -1.499 -15.045 368 HG SER 49 HG SER 49 1.128 -3.424 -16.080 369 HA PRO 50 HA PRO 50 -2.623 -2.307 -10.469 370 HB2 PRO 50 HB2 PRO 50 -1.677 0.342 -9.620 371 HB3 PRO 50 HB3 PRO 50 -1.897 -1.126 -8.665 372 HG2 PRO 50 HG2 PRO 50 0.547 -0.176 -9.263 373 HG3 PRO 50 HG3 PRO 50 0.215 -1.914 -9.144 374 HD2 PRO 50 HD2 PRO 50 0.476 -0.200 -11.591 375 HD3 PRO 50 HD3 PRO 50 1.104 -1.837 -11.292 376 H ASP 51 HN ASP 51 -1.745 0.125 -12.756 377 HA ASP 51 HA ASP 51 -4.102 1.732 -12.506 378 HB2 ASP 51 HB2 ASP 51 -2.142 2.745 -13.451 379 HB3 ASP 51 HB3 ASP 51 -1.969 1.464 -14.640 380 H ALA 52 HN ALA 52 -3.290 -1.253 -13.898 381 HA ALA 52 HA ALA 52 -5.298 -1.268 -15.942 382 HB1 ALA 52 HB1 ALA 52 -3.354 -3.221 -14.863 383 HB2 ALA 52 HB2 ALA 52 -4.794 -3.873 -15.643 384 HB3 ALA 52 HB3 ALA 52 -3.721 -2.793 -16.535 385 H LEU 53 HN LEU 53 -5.081 -2.099 -12.600 386 HA LEU 53 HA LEU 53 -7.532 -3.559 -12.453 387 HB2 LEU 53 HB2 LEU 53 -6.189 -2.113 -10.179 388 HB3 LEU 53 HB3 LEU 53 -7.208 -3.539 -10.104 389 HG LEU 53 HG LEU 53 -4.464 -3.489 -11.362 390 HD11 LEU 53 HD11 LEU 53 -5.230 -3.524 -8.605 391 HD12 LEU 53 HD12 LEU 53 -4.496 -5.068 -9.038 392 HD13 LEU 53 HD13 LEU 53 -3.615 -3.565 -9.315 393 HD21 LEU 53 HD21 LEU 53 -5.798 -5.239 -12.286 394 HD22 LEU 53 HD22 LEU 53 -4.695 -5.967 -11.118 395 HD23 LEU 53 HD23 LEU 53 -6.387 -5.707 -10.691 396 H THR 54 HN THR 54 -6.509 -0.254 -11.749 397 HA THR 54 HA THR 54 -8.929 0.825 -10.930 398 HB THR 54 HB THR 54 -7.412 2.626 -12.648 399 HG1 THR 54 HG1 THR 54 -5.440 2.238 -11.971 400 HG21 THR 54 HG21 THR 54 -7.259 2.915 -9.730 401 HG22 THR 54 HG22 THR 54 -8.898 2.835 -10.380 402 HG23 THR 54 HG23 THR 54 -7.778 4.066 -10.961 403 H ALA 55 HN ALA 55 -7.557 0.630 -14.207 404 HA ALA 55 HA ALA 55 -9.819 1.720 -15.514 405 HB1 ALA 55 HB1 ALA 55 -8.293 -0.191 -17.105 406 HB2 ALA 55 HB2 ALA 55 -8.575 1.531 -17.364 407 HB3 ALA 55 HB3 ALA 55 -7.285 1.002 -16.284 408 H ALA 56 HN ALA 56 -8.947 -1.558 -14.576 409 HA ALA 56 HA ALA 56 -10.947 -2.904 -16.028 410 HB1 ALA 56 HB1 ALA 56 -10.019 -4.707 -15.114 411 HB2 ALA 56 HB2 ALA 56 -8.946 -3.630 -14.220 412 HB3 ALA 56 HB3 ALA 56 -10.455 -4.176 -13.489 413 H VAL 57 HN VAL 57 -10.968 -1.610 -12.700 414 HA VAL 57 HA VAL 57 -13.655 -2.406 -12.211 415 HB VAL 57 HB VAL 57 -12.076 -0.257 -10.814 416 HG11 VAL 57 HG11 VAL 57 -14.614 -0.310 -10.542 417 HG12 VAL 57 HG12 VAL 57 -14.366 -1.827 -9.677 418 HG13 VAL 57 HG13 VAL 57 -13.641 -0.336 -9.072 419 HG21 VAL 57 HG21 VAL 57 -11.046 -1.820 -9.562 420 HG22 VAL 57 HG22 VAL 57 -12.459 -2.873 -9.528 421 HG23 VAL 57 HG23 VAL 57 -11.393 -2.871 -10.933 422 H ALA 58 HN ALA 58 -12.167 0.624 -13.318 423 HA ALA 58 HA ALA 58 -14.550 2.135 -13.363 424 HB1 ALA 58 HB1 ALA 58 -12.321 3.149 -13.440 425 HB2 ALA 58 HB2 ALA 58 -12.081 2.484 -15.056 426 HB3 ALA 58 HB3 ALA 58 -13.333 3.694 -14.778 427 H GLY 59 HN GLY 59 -13.168 -0.139 -15.611 428 HA2 GLY 59 HA1 GLY 59 -14.966 0.589 -17.751 429 HA3 GLY 59 HA2 GLY 59 -13.845 -0.764 -17.743 430 H LEU 60 HN LEU 60 -15.232 -1.284 -14.956 431 HA LEU 60 HA LEU 60 -17.128 -3.158 -16.100 432 HB2 LEU 60 HB2 LEU 60 -15.496 -3.033 -13.724 433 HB3 LEU 60 HB3 LEU 60 -17.147 -3.472 -13.334 434 HG LEU 60 HG LEU 60 -15.979 -4.938 -15.601 435 HD11 LEU 60 HD11 LEU 60 -13.993 -4.864 -14.285 436 HD12 LEU 60 HD12 LEU 60 -14.890 -5.227 -12.809 437 HD13 LEU 60 HD13 LEU 60 -14.725 -6.454 -14.066 438 HD21 LEU 60 HD21 LEU 60 -17.695 -5.502 -13.219 439 HD22 LEU 60 HD22 LEU 60 -18.051 -5.719 -14.933 440 HD23 LEU 60 HD23 LEU 60 -16.950 -6.827 -14.115 441 H GLY 61 HN GLY 61 -17.540 -0.150 -15.696 442 HA2 GLY 61 HA1 GLY 61 -19.611 0.955 -15.649 443 HA3 GLY 61 HA2 GLY 61 -20.314 -0.444 -14.849 444 H TYR 62 HN TYR 62 -17.600 0.018 -13.202 445 HA TYR 62 HA TYR 62 -18.923 1.717 -11.215 446 HB2 TYR 62 HB2 TYR 62 -16.505 0.050 -10.600 447 HB3 TYR 62 HB3 TYR 62 -17.815 0.542 -9.539 448 HD1 TYR 62 HD2 TYR 62 -20.208 -0.378 -10.864 449 HD2 TYR 62 HD1 TYR 62 -16.402 -2.266 -10.619 450 HE1 TYR 62 HE2 TYR 62 -21.280 -2.570 -11.175 451 HE2 TYR 62 HE1 TYR 62 -17.465 -4.461 -10.924 452 HH TYR 62 HH TYR 62 -19.764 -5.462 -10.506 453 H LYS 63 HN LYS 63 -16.948 2.702 -9.741 454 HA LYS 63 HA LYS 63 -15.116 3.993 -11.650 455 HB2 LYS 63 HB2 LYS 63 -16.872 5.175 -9.560 456 HB3 LYS 63 HB3 LYS 63 -15.279 5.887 -9.776 457 HG2 LYS 63 HG2 LYS 63 -16.125 7.094 -11.424 458 HG3 LYS 63 HG3 LYS 63 -16.303 5.604 -12.351 459 HD2 LYS 63 HD2 LYS 63 -18.447 5.830 -10.465 460 HD3 LYS 63 HD3 LYS 63 -18.336 7.312 -11.418 461 HE2 LYS 63 HE2 LYS 63 -18.260 5.857 -13.467 462 HE3 LYS 63 HE3 LYS 63 -18.645 4.490 -12.423 463 HZ1 LYS 63 HZ1 LYS 63 -20.731 5.372 -11.913 464 HZ2 LYS 63 HZ2 LYS 63 -20.569 5.624 -13.584 465 HZ3 LYS 63 HZ3 LYS 63 -20.337 6.913 -12.503 466 H ALA 64 HN ALA 64 -13.082 3.469 -11.228 467 HA ALA 64 HA ALA 64 -12.379 2.900 -8.433 468 HB1 ALA 64 HB1 ALA 64 -10.584 2.053 -10.635 469 HB2 ALA 64 HB2 ALA 64 -10.936 1.273 -9.092 470 HB3 ALA 64 HB3 ALA 64 -12.097 1.173 -10.417 471 H THR 65 HN THR 65 -11.152 4.293 -7.441 472 HA THR 65 HA THR 65 -9.236 5.888 -9.016 473 HB THR 65 HB THR 65 -9.422 7.005 -6.444 474 HG1 THR 65 HG1 THR 65 -12.007 6.437 -7.532 475 HG21 THR 65 HG21 THR 65 -10.374 8.930 -7.617 476 HG22 THR 65 HG22 THR 65 -10.714 7.912 -9.017 477 HG23 THR 65 HG23 THR 65 -9.045 8.224 -8.537 478 H LEU 66 HN LEU 66 -7.520 6.601 -6.910 479 HA LEU 66 HA LEU 66 -6.897 4.208 -5.418 480 HB2 LEU 66 HB2 LEU 66 -4.740 3.796 -6.308 481 HB3 LEU 66 HB3 LEU 66 -5.843 3.864 -7.667 482 HG LEU 66 HG LEU 66 -4.739 6.472 -7.232 483 HD11 LEU 66 HD11 LEU 66 -2.660 6.044 -6.579 484 HD12 LEU 66 HD12 LEU 66 -2.922 4.304 -6.688 485 HD13 LEU 66 HD13 LEU 66 -2.415 5.210 -8.112 486 HD21 LEU 66 HD21 LEU 66 -3.773 5.024 -9.548 487 HD22 LEU 66 HD22 LEU 66 -5.512 4.830 -9.325 488 HD23 LEU 66 HD23 LEU 66 -4.815 6.444 -9.457 489 H ALA 67 HN ALA 67 -5.768 4.603 -3.594 490 HA ALA 67 HA ALA 67 -4.610 7.283 -3.243 491 HB1 ALA 67 HB1 ALA 67 -7.018 7.198 -2.429 492 HB2 ALA 67 HB2 ALA 67 -6.439 6.115 -1.163 493 HB3 ALA 67 HB3 ALA 67 -5.810 7.757 -1.274 494 H ASP 68 HN ASP 68 -2.558 6.769 -2.854 495 HA ASP 68 HA ASP 68 -1.883 5.312 -0.499 496 HB2 ASP 68 HB2 ASP 68 -2.174 3.446 -2.070 497 HB3 ASP 68 HB3 ASP 68 -1.043 4.208 -3.183 498 H ALA 69 HN ALA 69 -0.383 6.125 -3.582 499 HA ALA 69 HA ALA 69 1.339 8.062 -2.254 500 HB1 ALA 69 HB1 ALA 69 3.018 6.721 -4.071 501 HB2 ALA 69 HB2 ALA 69 3.137 6.745 -2.311 502 HB3 ALA 69 HB3 ALA 69 2.226 5.469 -3.116 Start of MODEL 10 1 H1 MET 1 H1 MET 1 2.579 1.803 -2.671 2 H2 MET 1 H2 MET 1 2.726 1.331 -1.053 3 H3 MET 1 H3 MET 1 1.235 1.885 -1.642 4 HA MET 1 HA MET 1 2.609 -0.528 -2.665 5 HB2 MET 1 HB2 MET 1 1.818 -0.477 -0.156 6 HB3 MET 1 HB3 MET 1 0.218 -0.655 -0.864 7 HG2 MET 1 HG2 MET 1 1.114 -2.666 -2.090 8 HG3 MET 1 HG3 MET 1 2.553 -2.533 -1.080 9 HE1 MET 1 HE1 MET 1 1.691 -5.406 0.277 10 HE2 MET 1 HE2 MET 1 0.037 -5.503 -0.329 11 HE3 MET 1 HE3 MET 1 1.330 -4.937 -1.384 12 H THR 2 HN THR 2 -0.744 -0.616 -1.985 13 HA THR 2 HA THR 2 -1.540 0.373 -4.569 14 HB THR 2 HB THR 2 -2.692 -2.191 -4.561 15 HG1 THR 2 HG1 THR 2 -1.206 -3.505 -3.856 16 HG21 THR 2 HG21 THR 2 -2.309 -1.626 -6.691 17 HG22 THR 2 HG22 THR 2 -0.681 -2.263 -6.456 18 HG23 THR 2 HG23 THR 2 -0.993 -0.539 -6.249 19 H HIS 3 HN HIS 3 -2.463 1.582 -2.528 20 HA HIS 3 HA HIS 3 -4.980 0.406 -1.655 21 HB2 HIS 3 HB2 HIS 3 -3.866 3.179 -1.313 22 HB3 HIS 3 HB3 HIS 3 -5.426 2.687 -0.706 23 HD1 HIS 3 HD1 HIS 3 -5.500 1.612 1.551 24 HD2 HIS 3 HD2 HIS 3 -1.641 1.863 0.015 25 HE1 HIS 3 HE1 HIS 3 -3.977 0.973 3.441 26 HE2 HIS 3 HE2 HIS 3 -1.651 1.373 2.558 27 H LEU 4 HN LEU 4 -6.769 0.531 -2.746 28 HA LEU 4 HA LEU 4 -6.935 2.396 -5.020 29 HB2 LEU 4 HB2 LEU 4 -7.178 -0.371 -5.005 30 HB3 LEU 4 HB3 LEU 4 -8.833 0.194 -5.079 31 HG LEU 4 HG LEU 4 -8.070 1.645 -7.049 32 HD11 LEU 4 HD11 LEU 4 -5.917 1.647 -7.554 33 HD12 LEU 4 HD12 LEU 4 -5.589 0.394 -6.357 34 HD13 LEU 4 HD13 LEU 4 -6.054 -0.054 -7.998 35 HD21 LEU 4 HD21 LEU 4 -9.475 -0.061 -7.658 36 HD22 LEU 4 HD22 LEU 4 -8.016 -0.503 -8.545 37 HD23 LEU 4 HD23 LEU 4 -8.407 -1.315 -7.030 38 H LYS 5 HN LYS 5 -8.891 3.443 -5.404 39 HA LYS 5 HA LYS 5 -10.636 3.594 -3.037 40 HB2 LYS 5 HB2 LYS 5 -9.674 5.739 -3.506 41 HB3 LYS 5 HB3 LYS 5 -10.069 5.610 -5.213 42 HG2 LYS 5 HG2 LYS 5 -12.280 6.114 -4.890 43 HG3 LYS 5 HG3 LYS 5 -12.281 5.533 -3.226 44 HD2 LYS 5 HD2 LYS 5 -10.727 7.518 -2.743 45 HD3 LYS 5 HD3 LYS 5 -11.247 8.131 -4.314 46 HE2 LYS 5 HE2 LYS 5 -13.618 7.421 -3.105 47 HE3 LYS 5 HE3 LYS 5 -12.667 8.064 -1.769 48 HZ1 LYS 5 HZ1 LYS 5 -13.474 9.433 -4.264 49 HZ2 LYS 5 HZ2 LYS 5 -12.218 10.022 -3.292 50 HZ3 LYS 5 HZ3 LYS 5 -13.782 9.891 -2.658 51 H ILE 6 HN ILE 6 -12.624 2.817 -3.191 52 HA ILE 6 HA ILE 6 -13.630 2.003 -5.807 53 HB ILE 6 HB ILE 6 -14.811 1.422 -3.090 54 HG12 ILE 6 HG12 ILE 6 -12.599 0.461 -3.127 55 HG13 ILE 6 HG13 ILE 6 -13.765 -0.837 -3.353 56 HG21 ILE 6 HG21 ILE 6 -16.170 1.229 -5.297 57 HG22 ILE 6 HG22 ILE 6 -15.219 -0.235 -5.543 58 HG23 ILE 6 HG23 ILE 6 -16.241 -0.078 -4.114 59 HD11 ILE 6 HD11 ILE 6 -11.549 -0.187 -4.957 60 HD12 ILE 6 HD12 ILE 6 -12.758 -1.444 -5.223 61 HD13 ILE 6 HD13 ILE 6 -12.993 0.163 -5.906 62 H THR 7 HN THR 7 -15.270 3.007 -6.802 63 HA THR 7 HA THR 7 -17.024 4.785 -5.300 64 HB THR 7 HB THR 7 -16.406 6.170 -7.688 65 HG1 THR 7 HG1 THR 7 -14.390 4.780 -7.335 66 HG21 THR 7 HG21 THR 7 -15.302 7.739 -5.878 67 HG22 THR 7 HG22 THR 7 -16.059 6.610 -4.753 68 HG23 THR 7 HG23 THR 7 -17.047 7.495 -5.914 69 H GLY 8 HN GLY 8 -18.878 5.510 -6.653 70 HA2 GLY 8 HA1 GLY 8 -20.348 5.198 -8.487 71 HA3 GLY 8 HA2 GLY 8 -19.411 3.790 -8.972 72 H MET 9 HN MET 9 -19.307 2.202 -6.879 73 HA MET 9 HA MET 9 -22.075 1.480 -6.357 74 HB2 MET 9 HB2 MET 9 -19.515 0.105 -5.511 75 HB3 MET 9 HB3 MET 9 -21.138 -0.506 -5.233 76 HG2 MET 9 HG2 MET 9 -21.512 -0.833 -7.541 77 HG3 MET 9 HG3 MET 9 -20.071 0.082 -7.978 78 HE1 MET 9 HE1 MET 9 -21.654 -2.782 -8.098 79 HE2 MET 9 HE2 MET 9 -20.376 -3.899 -8.581 80 HE3 MET 9 HE3 MET 9 -21.017 -3.953 -6.941 81 H THR 10 HN THR 10 -22.699 0.898 -4.088 82 HA THR 10 HA THR 10 -22.153 3.155 -2.423 83 HB THR 10 HB THR 10 -23.593 1.127 -1.030 84 HG1 THR 10 HG1 THR 10 -24.701 1.675 -3.597 85 HG21 THR 10 HG21 THR 10 -24.859 2.909 -0.539 86 HG22 THR 10 HG22 THR 10 -25.222 3.192 -2.240 87 HG23 THR 10 HG23 THR 10 -23.753 3.860 -1.531 88 H CYS 11 HN CYS 11 -22.179 -0.284 -1.514 89 HA CYS 11 HA CYS 11 -19.685 -0.562 -0.383 90 HB2 CYS 11 HB2 CYS 11 -20.174 -0.113 2.009 91 HB3 CYS 11 HB3 CYS 11 -20.138 1.340 1.024 92 HG CYS 11 HG CYS 11 -23.075 -0.209 1.830 93 H ASP 12 HN ASP 12 -19.487 -2.600 0.480 94 HA ASP 12 HA ASP 12 -19.996 -4.717 1.092 95 HB2 ASP 12 HB2 ASP 12 -21.251 -3.586 2.928 96 HB3 ASP 12 HB3 ASP 12 -22.695 -3.628 1.920 97 H SER 13 HN SER 13 -20.546 -6.480 -0.012 98 HA SER 13 HA SER 13 -21.359 -7.808 -1.668 99 HB2 SER 13 HB2 SER 13 -23.675 -5.877 -1.948 100 HB3 SER 13 HB3 SER 13 -23.617 -7.561 -2.476 101 HG SER 13 HG SER 13 -23.193 -6.895 0.231 102 H CYS 14 HN CYS 14 -21.760 -4.369 -2.410 103 HA CYS 14 HA CYS 14 -21.152 -4.433 -5.138 104 HB2 CYS 14 HB2 CYS 14 -20.225 -2.225 -3.307 105 HB3 CYS 14 HB3 CYS 14 -20.835 -2.110 -4.949 106 HG CYS 14 HG CYS 14 -22.754 -2.857 -2.203 107 H ALA 15 HN ALA 15 -19.118 -4.158 -2.279 108 HA ALA 15 HA ALA 15 -16.634 -3.926 -3.595 109 HB1 ALA 15 HB1 ALA 15 -15.711 -4.674 -1.363 110 HB2 ALA 15 HB2 ALA 15 -16.753 -3.252 -1.332 111 HB3 ALA 15 HB3 ALA 15 -17.384 -4.819 -0.822 112 H ALA 16 HN ALA 16 -18.672 -6.642 -2.984 113 HA ALA 16 HA ALA 16 -16.695 -8.677 -3.050 114 HB1 ALA 16 HB1 ALA 16 -19.038 -9.836 -3.978 115 HB2 ALA 16 HB2 ALA 16 -18.480 -9.778 -2.306 116 HB3 ALA 16 HB3 ALA 16 -19.581 -8.540 -2.912 117 H HIS 17 HN HIS 17 -18.803 -7.256 -5.544 118 HA HIS 17 HA HIS 17 -17.891 -8.936 -7.640 119 HB2 HIS 17 HB2 HIS 17 -19.956 -7.259 -7.495 120 HB3 HIS 17 HB3 HIS 17 -18.809 -6.174 -8.276 121 HD1 HIS 17 HD1 HIS 17 -20.097 -9.727 -8.820 122 HD2 HIS 17 HD2 HIS 17 -18.854 -6.383 -10.964 123 HE1 HIS 17 HE1 HIS 17 -20.392 -10.325 -11.243 124 HE2 HIS 17 HE2 HIS 17 -19.442 -8.369 -12.519 125 H VAL 18 HN VAL 18 -16.837 -5.823 -6.402 126 HA VAL 18 HA VAL 18 -14.858 -5.291 -8.338 127 HB VAL 18 HB VAL 18 -14.859 -4.518 -5.410 128 HG11 VAL 18 HG11 VAL 18 -13.520 -2.970 -7.589 129 HG12 VAL 18 HG12 VAL 18 -13.195 -2.973 -5.856 130 HG13 VAL 18 HG13 VAL 18 -12.701 -4.345 -6.847 131 HG21 VAL 18 HG21 VAL 18 -15.581 -2.277 -6.690 132 HG22 VAL 18 HG22 VAL 18 -16.301 -3.475 -7.766 133 HG23 VAL 18 HG23 VAL 18 -16.741 -3.446 -6.059 134 H LYS 19 HN LYS 19 -14.739 -6.967 -5.213 135 HA LYS 19 HA LYS 19 -12.032 -7.679 -5.264 136 HB2 LYS 19 HB2 LYS 19 -13.819 -7.893 -3.383 137 HB3 LYS 19 HB3 LYS 19 -14.138 -9.469 -4.094 138 HG2 LYS 19 HG2 LYS 19 -11.746 -10.041 -3.776 139 HG3 LYS 19 HG3 LYS 19 -11.526 -8.499 -2.944 140 HD2 LYS 19 HD2 LYS 19 -12.875 -9.149 -1.144 141 HD3 LYS 19 HD3 LYS 19 -13.623 -10.458 -2.062 142 HE2 LYS 19 HE2 LYS 19 -10.692 -10.598 -1.672 143 HE3 LYS 19 HE3 LYS 19 -11.698 -10.860 -0.249 144 HZ1 LYS 19 HZ1 LYS 19 -12.141 -12.901 -0.949 145 HZ2 LYS 19 HZ2 LYS 19 -11.101 -12.674 -2.278 146 HZ3 LYS 19 HZ3 LYS 19 -12.751 -12.316 -2.420 147 H GLU 20 HN GLU 20 -14.885 -9.290 -6.580 148 HA GLU 20 HA GLU 20 -13.639 -11.627 -7.479 149 HB2 GLU 20 HB2 GLU 20 -16.060 -10.122 -8.451 150 HB3 GLU 20 HB3 GLU 20 -15.525 -11.605 -9.224 151 HG2 GLU 20 HG2 GLU 20 -15.946 -12.881 -7.282 152 HG3 GLU 20 HG3 GLU 20 -16.152 -11.433 -6.294 153 H ALA 21 HN ALA 21 -14.175 -8.535 -9.095 154 HA ALA 21 HA ALA 21 -13.044 -9.270 -11.577 155 HB1 ALA 21 HB1 ALA 21 -14.140 -7.338 -11.936 156 HB2 ALA 21 HB2 ALA 21 -13.906 -6.782 -10.278 157 HB3 ALA 21 HB3 ALA 21 -12.617 -6.584 -11.466 158 H LEU 22 HN LEU 22 -11.728 -8.007 -8.605 159 HA LEU 22 HA LEU 22 -9.114 -7.472 -9.561 160 HB2 LEU 22 HB2 LEU 22 -10.260 -7.967 -6.826 161 HB3 LEU 22 HB3 LEU 22 -8.546 -7.708 -7.071 162 HG LEU 22 HG LEU 22 -10.570 -5.714 -8.040 163 HD11 LEU 22 HD11 LEU 22 -10.665 -6.327 -5.499 164 HD12 LEU 22 HD12 LEU 22 -9.184 -5.372 -5.423 165 HD13 LEU 22 HD13 LEU 22 -10.676 -4.640 -6.013 166 HD21 LEU 22 HD21 LEU 22 -8.174 -5.680 -8.822 167 HD22 LEU 22 HD22 LEU 22 -8.743 -4.200 -8.047 168 HD23 LEU 22 HD23 LEU 22 -7.720 -5.327 -7.154 169 H GLU 23 HN GLU 23 -10.595 -10.242 -7.924 170 HA GLU 23 HA GLU 23 -8.152 -11.748 -7.897 171 HB2 GLU 23 HB2 GLU 23 -11.015 -12.449 -7.283 172 HB3 GLU 23 HB3 GLU 23 -9.724 -13.644 -7.230 173 HG2 GLU 23 HG2 GLU 23 -8.567 -12.339 -5.536 174 HG3 GLU 23 HG3 GLU 23 -9.829 -11.111 -5.604 175 H LYS 24 HN LYS 24 -10.510 -11.142 -10.251 176 HA LYS 24 HA LYS 24 -10.195 -13.554 -11.756 177 HB2 LYS 24 HB2 LYS 24 -11.545 -10.970 -12.090 178 HB3 LYS 24 HB3 LYS 24 -10.893 -11.615 -13.590 179 HG2 LYS 24 HG2 LYS 24 -12.325 -13.597 -12.002 180 HG3 LYS 24 HG3 LYS 24 -13.324 -12.234 -12.506 181 HD2 LYS 24 HD2 LYS 24 -12.581 -12.582 -14.832 182 HD3 LYS 24 HD3 LYS 24 -11.657 -13.989 -14.307 183 HE2 LYS 24 HE2 LYS 24 -13.938 -14.783 -13.337 184 HE3 LYS 24 HE3 LYS 24 -14.619 -13.612 -14.466 185 HZ1 LYS 24 HZ1 LYS 24 -14.326 -16.010 -15.241 186 HZ2 LYS 24 HZ2 LYS 24 -12.676 -15.644 -15.374 187 HZ3 LYS 24 HZ3 LYS 24 -13.812 -14.777 -16.286 188 H VAL 25 HN VAL 25 -8.510 -10.577 -11.405 189 HA VAL 25 HA VAL 25 -6.734 -11.038 -13.648 190 HB VAL 25 HB VAL 25 -6.720 -8.960 -11.446 191 HG11 VAL 25 HG11 VAL 25 -4.849 -9.413 -13.746 192 HG12 VAL 25 HG12 VAL 25 -5.095 -7.802 -13.074 193 HG13 VAL 25 HG13 VAL 25 -4.471 -9.099 -12.053 194 HG21 VAL 25 HG21 VAL 25 -7.143 -7.535 -13.629 195 HG22 VAL 25 HG22 VAL 25 -7.804 -9.062 -14.211 196 HG23 VAL 25 HG23 VAL 25 -8.469 -8.308 -12.761 197 HA PRO 26 HA PRO 26 -4.346 -13.877 -11.155 198 HB2 PRO 26 HB2 PRO 26 -2.375 -13.582 -13.342 199 HB3 PRO 26 HB3 PRO 26 -3.176 -15.036 -12.736 200 HG2 PRO 26 HG2 PRO 26 -3.843 -13.978 -15.094 201 HG3 PRO 26 HG3 PRO 26 -5.069 -14.686 -14.026 202 HD2 PRO 26 HD2 PRO 26 -4.392 -11.802 -14.480 203 HD3 PRO 26 HD3 PRO 26 -5.987 -12.570 -14.326 204 H GLY 27 HN GLY 27 -3.520 -10.699 -11.973 205 HA2 GLY 27 HA1 GLY 27 -0.869 -10.714 -10.834 206 HA3 GLY 27 HA2 GLY 27 -1.768 -9.302 -11.370 207 H VAL 28 HN VAL 28 -3.991 -10.642 -9.528 208 HA VAL 28 HA VAL 28 -3.170 -9.102 -7.183 209 HB VAL 28 HB VAL 28 -5.840 -10.171 -8.091 210 HG11 VAL 28 HG11 VAL 28 -6.273 -10.469 -5.891 211 HG12 VAL 28 HG12 VAL 28 -4.988 -9.378 -5.375 212 HG13 VAL 28 HG13 VAL 28 -6.524 -8.725 -5.940 213 HG21 VAL 28 HG21 VAL 28 -5.245 -7.345 -7.331 214 HG22 VAL 28 HG22 VAL 28 -4.713 -7.958 -8.897 215 HG23 VAL 28 HG23 VAL 28 -6.426 -7.978 -8.479 216 H GLN 29 HN GLN 29 -2.543 -10.019 -5.340 217 HA GLN 29 HA GLN 29 -2.691 -12.938 -5.117 218 HB2 GLN 29 HB2 GLN 29 -0.816 -10.869 -4.221 219 HB3 GLN 29 HB3 GLN 29 -1.171 -12.076 -2.995 220 HG2 GLN 29 HG2 GLN 29 -0.734 -13.577 -5.263 221 HG3 GLN 29 HG3 GLN 29 0.446 -12.275 -5.390 222 HE21 GLN 29 HE21 GLN 29 1.574 -14.586 -5.150 223 HE22 GLN 29 HE22 GLN 29 2.154 -14.894 -3.550 224 H SER 30 HN SER 30 -3.543 -9.975 -3.395 225 HA SER 30 HA SER 30 -5.609 -11.413 -1.954 226 HB2 SER 30 HB2 SER 30 -4.170 -9.728 -0.065 227 HB3 SER 30 HB3 SER 30 -4.679 -11.407 0.098 228 HG SER 30 HG SER 30 -2.771 -12.086 -0.591 229 H ALA 31 HN ALA 31 -7.323 -10.216 -2.433 230 HA ALA 31 HA ALA 31 -7.031 -7.304 -2.638 231 HB1 ALA 31 HB1 ALA 31 -8.057 -8.538 -4.525 232 HB2 ALA 31 HB2 ALA 31 -9.373 -9.021 -3.453 233 HB3 ALA 31 HB3 ALA 31 -9.123 -7.317 -3.830 234 H LEU 32 HN LEU 32 -7.015 -6.699 -0.493 235 HA LEU 32 HA LEU 32 -9.199 -7.525 1.248 236 HB2 LEU 32 HB2 LEU 32 -6.643 -6.010 1.623 237 HB3 LEU 32 HB3 LEU 32 -7.915 -5.871 2.821 238 HG LEU 32 HG LEU 32 -7.359 -8.645 2.177 239 HD11 LEU 32 HD11 LEU 32 -5.102 -7.425 1.817 240 HD12 LEU 32 HD12 LEU 32 -5.104 -7.259 3.573 241 HD13 LEU 32 HD13 LEU 32 -5.150 -8.862 2.838 242 HD21 LEU 32 HD21 LEU 32 -7.183 -7.057 4.736 243 HD22 LEU 32 HD22 LEU 32 -8.627 -7.863 4.121 244 HD23 LEU 32 HD23 LEU 32 -7.222 -8.816 4.598 245 H VAL 33 HN VAL 33 -10.798 -6.466 -0.151 246 HA VAL 33 HA VAL 33 -10.831 -3.587 -0.266 247 HB VAL 33 HB VAL 33 -13.179 -5.388 -0.800 248 HG11 VAL 33 HG11 VAL 33 -14.039 -3.308 -1.040 249 HG12 VAL 33 HG12 VAL 33 -12.467 -2.579 -1.363 250 HG13 VAL 33 HG13 VAL 33 -13.316 -3.447 -2.643 251 HG21 VAL 33 HG21 VAL 33 -11.153 -6.207 -2.006 252 HG22 VAL 33 HG22 VAL 33 -12.467 -5.691 -3.064 253 HG23 VAL 33 HG23 VAL 33 -11.068 -4.644 -2.815 254 H SER 34 HN SER 34 -11.708 -2.229 1.170 255 HA SER 34 HA SER 34 -13.091 -3.408 3.480 256 HB2 SER 34 HB2 SER 34 -11.945 -0.643 3.510 257 HB3 SER 34 HB3 SER 34 -12.115 -1.800 4.832 258 HG SER 34 HG SER 34 -10.518 -2.910 3.055 259 H TYR 35 HN TYR 35 -15.204 -3.259 3.288 260 HA TYR 35 HA TYR 35 -16.532 -1.393 1.652 261 HB2 TYR 35 HB2 TYR 35 -18.206 -2.835 1.894 262 HB3 TYR 35 HB3 TYR 35 -17.204 -3.756 2.995 263 HD1 TYR 35 HD1 TYR 35 -19.659 -0.937 2.944 264 HD2 TYR 35 HD2 TYR 35 -17.923 -4.121 5.169 265 HE1 TYR 35 HE1 TYR 35 -21.291 -0.563 4.740 266 HE2 TYR 35 HE2 TYR 35 -19.550 -3.754 6.971 267 HH TYR 35 HH TYR 35 -21.747 -1.013 6.939 268 HA PRO 36 HA PRO 36 -17.731 0.971 5.661 269 HB2 PRO 36 HB2 PRO 36 -15.723 0.442 7.691 270 HB3 PRO 36 HB3 PRO 36 -17.472 0.224 7.780 271 HG2 PRO 36 HG2 PRO 36 -15.709 -1.850 7.757 272 HG3 PRO 36 HG3 PRO 36 -17.359 -1.969 7.119 273 HD2 PRO 36 HD2 PRO 36 -14.780 -1.579 5.644 274 HD3 PRO 36 HD3 PRO 36 -16.170 -2.608 5.232 275 H LYS 37 HN LYS 37 -14.666 0.623 4.321 276 HA LYS 37 HA LYS 37 -13.831 3.290 5.218 277 HB2 LYS 37 HB2 LYS 37 -12.400 0.827 4.535 278 HB3 LYS 37 HB3 LYS 37 -11.719 2.262 3.779 279 HG2 LYS 37 HG2 LYS 37 -11.415 3.313 5.920 280 HG3 LYS 37 HG3 LYS 37 -12.250 1.987 6.732 281 HD2 LYS 37 HD2 LYS 37 -10.363 0.572 5.502 282 HD3 LYS 37 HD3 LYS 37 -9.507 2.112 5.608 283 HE2 LYS 37 HE2 LYS 37 -8.890 1.306 7.626 284 HE3 LYS 37 HE3 LYS 37 -10.458 1.950 8.112 285 HZ1 LYS 37 HZ1 LYS 37 -11.420 -0.248 7.781 286 HZ2 LYS 37 HZ2 LYS 37 -10.147 -0.313 8.902 287 HZ3 LYS 37 HZ3 LYS 37 -9.907 -0.864 7.314 288 H GLY 38 HN GLY 38 -14.732 1.386 2.454 289 HA2 GLY 38 HA1 GLY 38 -15.456 2.139 0.380 290 HA3 GLY 38 HA2 GLY 38 -14.985 3.770 0.840 291 H THR 39 HN THR 39 -12.700 1.250 1.289 292 HA THR 39 HA THR 39 -11.271 2.038 -1.156 293 HB THR 39 HB THR 39 -9.186 1.740 0.531 294 HG1 THR 39 HG1 THR 39 -9.921 3.124 2.412 295 HG21 THR 39 HG21 THR 39 -10.354 3.806 -0.903 296 HG22 THR 39 HG22 THR 39 -8.778 3.843 -0.112 297 HG23 THR 39 HG23 THR 39 -10.202 4.453 0.732 298 H ALA 40 HN ALA 40 -9.429 0.545 -1.626 299 HA ALA 40 HA ALA 40 -9.891 -2.156 -0.549 300 HB1 ALA 40 HB1 ALA 40 -10.934 -2.236 -2.658 301 HB2 ALA 40 HB2 ALA 40 -9.638 -1.320 -3.425 302 HB3 ALA 40 HB3 ALA 40 -9.351 -2.977 -2.895 303 H GLN 41 HN GLN 41 -8.105 -3.218 0.046 304 HA GLN 41 HA GLN 41 -5.502 -2.054 -0.711 305 HB2 GLN 41 HB2 GLN 41 -5.854 -2.121 1.696 306 HB3 GLN 41 HB3 GLN 41 -6.259 -3.830 1.625 307 HG2 GLN 41 HG2 GLN 41 -4.087 -3.867 2.380 308 HG3 GLN 41 HG3 GLN 41 -3.884 -4.112 0.648 309 HE21 GLN 41 HE21 GLN 41 -2.320 -2.829 2.980 310 HE22 GLN 41 HE22 GLN 41 -1.741 -1.355 2.290 311 H LEU 42 HN LEU 42 -4.918 -3.045 -2.565 312 HA LEU 42 HA LEU 42 -5.384 -5.937 -2.772 313 HB2 LEU 42 HB2 LEU 42 -4.550 -5.049 -5.264 314 HB3 LEU 42 HB3 LEU 42 -6.192 -5.417 -4.773 315 HG LEU 42 HG LEU 42 -5.432 -2.720 -4.011 316 HD11 LEU 42 HD11 LEU 42 -5.034 -1.732 -6.066 317 HD12 LEU 42 HD12 LEU 42 -4.060 -3.201 -6.150 318 HD13 LEU 42 HD13 LEU 42 -5.620 -3.131 -6.968 319 HD21 LEU 42 HD21 LEU 42 -7.714 -4.135 -4.600 320 HD22 LEU 42 HD22 LEU 42 -7.607 -2.388 -4.383 321 HD23 LEU 42 HD23 LEU 42 -7.525 -3.081 -6.001 322 H ALA 43 HN ALA 43 -3.684 -7.077 -2.139 323 HA ALA 43 HA ALA 43 -0.972 -6.166 -2.570 324 HB1 ALA 43 HB1 ALA 43 -0.348 -8.376 -1.643 325 HB2 ALA 43 HB2 ALA 43 -1.453 -7.489 -0.592 326 HB3 ALA 43 HB3 ALA 43 -2.056 -8.813 -1.591 327 H ILE 44 HN ILE 44 -0.133 -6.244 -4.551 328 HA ILE 44 HA ILE 44 -1.169 -8.281 -6.405 329 HB ILE 44 HB ILE 44 -0.219 -6.707 -8.190 330 HG12 ILE 44 HG12 ILE 44 -0.662 -4.354 -6.562 331 HG13 ILE 44 HG13 ILE 44 0.661 -5.319 -5.917 332 HG21 ILE 44 HG21 ILE 44 -2.341 -5.088 -7.237 333 HG22 ILE 44 HG22 ILE 44 -2.380 -6.328 -8.489 334 HG23 ILE 44 HG23 ILE 44 -2.698 -6.762 -6.810 335 HD11 ILE 44 HD11 ILE 44 0.502 -3.733 -8.377 336 HD12 ILE 44 HD12 ILE 44 1.887 -4.130 -7.360 337 HD13 ILE 44 HD13 ILE 44 1.294 -5.300 -8.538 338 H VAL 45 HN VAL 45 0.309 -9.106 -8.014 339 HA VAL 45 HA VAL 45 2.860 -9.839 -6.940 340 HB VAL 45 HB VAL 45 1.790 -10.206 -9.751 341 HG11 VAL 45 HG11 VAL 45 3.899 -11.888 -8.436 342 HG12 VAL 45 HG12 VAL 45 3.500 -11.738 -10.148 343 HG13 VAL 45 HG13 VAL 45 4.310 -10.414 -9.315 344 HG21 VAL 45 HG21 VAL 45 1.166 -12.451 -9.050 345 HG22 VAL 45 HG22 VAL 45 1.728 -12.114 -7.413 346 HG23 VAL 45 HG23 VAL 45 0.343 -11.239 -8.067 347 HA PRO 46 HA PRO 46 5.076 -6.134 -8.080 348 HB2 PRO 46 HB2 PRO 46 7.306 -8.124 -8.142 349 HB3 PRO 46 HB3 PRO 46 7.230 -6.546 -7.350 350 HG2 PRO 46 HG2 PRO 46 6.971 -8.771 -5.924 351 HG3 PRO 46 HG3 PRO 46 5.967 -7.351 -5.575 352 HD2 PRO 46 HD2 PRO 46 5.239 -9.894 -6.951 353 HD3 PRO 46 HD3 PRO 46 4.262 -8.870 -5.880 354 H GLY 47 HN GLY 47 4.607 -5.532 -10.132 355 HA2 GLY 47 HA1 GLY 47 5.954 -5.461 -12.288 356 HA3 GLY 47 HA2 GLY 47 5.667 -7.196 -12.320 357 H THR 48 HN THR 48 2.969 -6.982 -11.275 358 HA THR 48 HA THR 48 1.583 -6.686 -13.729 359 HB THR 48 HB THR 48 0.067 -6.612 -11.170 360 HG1 THR 48 HG1 THR 48 1.603 -8.086 -10.552 361 HG21 THR 48 HG21 THR 48 -0.505 -7.133 -13.829 362 HG22 THR 48 HG22 THR 48 -1.557 -7.461 -12.453 363 HG23 THR 48 HG23 THR 48 -0.499 -8.728 -13.075 364 H SER 49 HN SER 49 0.487 -5.037 -14.570 365 HA SER 49 HA SER 49 0.934 -2.439 -13.498 366 HB2 SER 49 HB2 SER 49 -0.921 -2.294 -15.627 367 HB3 SER 49 HB3 SER 49 0.819 -2.001 -15.691 368 HG SER 49 HG SER 49 1.166 -4.113 -16.267 369 HA PRO 50 HA PRO 50 -2.780 -2.659 -11.002 370 HB2 PRO 50 HB2 PRO 50 -2.057 0.068 -10.192 371 HB3 PRO 50 HB3 PRO 50 -2.190 -1.390 -9.207 372 HG2 PRO 50 HG2 PRO 50 0.192 -0.261 -9.765 373 HG3 PRO 50 HG3 PRO 50 -0.003 -2.017 -9.601 374 HD2 PRO 50 HD2 PRO 50 0.188 -0.354 -12.090 375 HD3 PRO 50 HD3 PRO 50 0.937 -1.925 -11.726 376 H ASP 51 HN ASP 51 -2.030 -0.483 -13.478 377 HA ASP 51 HA ASP 51 -4.268 1.265 -13.342 378 HB2 ASP 51 HB2 ASP 51 -2.567 2.124 -14.660 379 HB3 ASP 51 HB3 ASP 51 -2.152 0.561 -15.336 380 H ALA 52 HN ALA 52 -3.691 -1.926 -14.419 381 HA ALA 52 HA ALA 52 -5.819 -2.150 -16.276 382 HB1 ALA 52 HB1 ALA 52 -3.943 -4.009 -14.955 383 HB2 ALA 52 HB2 ALA 52 -5.459 -4.700 -15.531 384 HB3 ALA 52 HB3 ALA 52 -4.388 -3.866 -16.655 385 H LEU 53 HN LEU 53 -5.511 -2.578 -12.842 386 HA LEU 53 HA LEU 53 -8.053 -3.837 -12.469 387 HB2 LEU 53 HB2 LEU 53 -6.522 -2.334 -10.360 388 HB3 LEU 53 HB3 LEU 53 -7.611 -3.691 -10.154 389 HG LEU 53 HG LEU 53 -5.049 -4.027 -11.675 390 HD11 LEU 53 HD11 LEU 53 -5.065 -3.106 -9.088 391 HD12 LEU 53 HD12 LEU 53 -4.934 -4.854 -8.890 392 HD13 LEU 53 HD13 LEU 53 -3.751 -3.985 -9.867 393 HD21 LEU 53 HD21 LEU 53 -5.954 -6.170 -9.950 394 HD22 LEU 53 HD22 LEU 53 -7.190 -5.689 -11.112 395 HD23 LEU 53 HD23 LEU 53 -5.594 -6.181 -11.678 396 H THR 54 HN THR 54 -6.756 -0.570 -12.049 397 HA THR 54 HA THR 54 -9.072 0.702 -11.164 398 HB THR 54 HB THR 54 -7.485 2.342 -12.979 399 HG1 THR 54 HG1 THR 54 -5.883 1.597 -10.881 400 HG21 THR 54 HG21 THR 54 -6.993 3.048 -10.319 401 HG22 THR 54 HG22 THR 54 -8.650 2.447 -10.340 402 HG23 THR 54 HG23 THR 54 -8.178 3.769 -11.408 403 H ALA 55 HN ALA 55 -7.824 0.282 -14.461 404 HA ALA 55 HA ALA 55 -10.018 1.526 -15.742 405 HB1 ALA 55 HB1 ALA 55 -8.173 -0.538 -16.935 406 HB2 ALA 55 HB2 ALA 55 -9.113 0.681 -17.793 407 HB3 ALA 55 HB3 ALA 55 -7.764 1.169 -16.766 408 H ALA 56 HN ALA 56 -9.388 -1.783 -14.730 409 HA ALA 56 HA ALA 56 -11.553 -2.989 -16.069 410 HB1 ALA 56 HB1 ALA 56 -9.558 -3.936 -14.500 411 HB2 ALA 56 HB2 ALA 56 -10.931 -4.064 -13.401 412 HB3 ALA 56 HB3 ALA 56 -10.977 -4.872 -14.968 413 H VAL 57 HN VAL 57 -11.332 -1.647 -12.768 414 HA VAL 57 HA VAL 57 -14.051 -2.168 -12.158 415 HB VAL 57 HB VAL 57 -12.226 -0.134 -10.899 416 HG11 VAL 57 HG11 VAL 57 -14.689 -1.414 -9.738 417 HG12 VAL 57 HG12 VAL 57 -13.706 -0.138 -9.020 418 HG13 VAL 57 HG13 VAL 57 -14.659 0.192 -10.466 419 HG21 VAL 57 HG21 VAL 57 -12.204 -2.995 -10.819 420 HG22 VAL 57 HG22 VAL 57 -11.111 -1.850 -10.040 421 HG23 VAL 57 HG23 VAL 57 -12.589 -2.357 -9.220 422 H ALA 58 HN ALA 58 -12.371 0.735 -13.369 423 HA ALA 58 HA ALA 58 -14.668 2.384 -13.383 424 HB1 ALA 58 HB1 ALA 58 -11.967 2.501 -14.592 425 HB2 ALA 58 HB2 ALA 58 -13.212 3.541 -15.283 426 HB3 ALA 58 HB3 ALA 58 -12.804 3.671 -13.573 427 H GLY 59 HN GLY 59 -13.414 0.037 -15.632 428 HA2 GLY 59 HA1 GLY 59 -15.179 0.838 -17.775 429 HA3 GLY 59 HA2 GLY 59 -14.105 -0.554 -17.766 430 H LEU 60 HN LEU 60 -15.618 -0.877 -14.959 431 HA LEU 60 HA LEU 60 -17.575 -2.720 -16.049 432 HB2 LEU 60 HB2 LEU 60 -16.052 -2.490 -13.605 433 HB3 LEU 60 HB3 LEU 60 -17.744 -2.793 -13.269 434 HG LEU 60 HG LEU 60 -16.548 -4.532 -15.324 435 HD11 LEU 60 HD11 LEU 60 -14.826 -5.327 -14.173 436 HD12 LEU 60 HD12 LEU 60 -15.086 -4.072 -12.960 437 HD13 LEU 60 HD13 LEU 60 -15.863 -5.644 -12.783 438 HD21 LEU 60 HD21 LEU 60 -17.876 -6.204 -14.218 439 HD22 LEU 60 HD22 LEU 60 -18.150 -5.135 -12.841 440 HD23 LEU 60 HD23 LEU 60 -18.851 -4.746 -14.411 441 H GLY 61 HN GLY 61 -17.656 0.377 -15.698 442 HA2 GLY 61 HA1 GLY 61 -19.669 1.624 -15.925 443 HA3 GLY 61 HA2 GLY 61 -20.495 0.408 -14.960 444 H TYR 62 HN TYR 62 -17.969 0.602 -13.144 445 HA TYR 62 HA TYR 62 -19.111 2.744 -11.516 446 HB2 TYR 62 HB2 TYR 62 -16.916 1.138 -10.366 447 HB3 TYR 62 HB3 TYR 62 -18.455 1.607 -9.660 448 HD1 TYR 62 HD2 TYR 62 -20.511 0.374 -11.044 449 HD2 TYR 62 HD1 TYR 62 -16.583 -1.147 -10.441 450 HE1 TYR 62 HE2 TYR 62 -21.356 -1.913 -11.352 451 HE2 TYR 62 HE1 TYR 62 -17.417 -3.438 -10.755 452 HH TYR 62 HH TYR 62 -19.179 -4.685 -11.483 453 H LYS 63 HN LYS 63 -16.782 3.181 -9.934 454 HA LYS 63 HA LYS 63 -14.878 4.299 -11.862 455 HB2 LYS 63 HB2 LYS 63 -16.214 6.195 -11.336 456 HB3 LYS 63 HB3 LYS 63 -16.265 5.777 -9.628 457 HG2 LYS 63 HG2 LYS 63 -14.669 7.333 -9.431 458 HG3 LYS 63 HG3 LYS 63 -13.594 6.066 -10.020 459 HD2 LYS 63 HD2 LYS 63 -14.911 7.436 -12.200 460 HD3 LYS 63 HD3 LYS 63 -14.033 8.564 -11.164 461 HE2 LYS 63 HE2 LYS 63 -11.998 7.313 -11.436 462 HE3 LYS 63 HE3 LYS 63 -12.846 6.050 -12.328 463 HZ1 LYS 63 HZ1 LYS 63 -12.037 8.728 -13.200 464 HZ2 LYS 63 HZ2 LYS 63 -13.462 8.076 -13.855 465 HZ3 LYS 63 HZ3 LYS 63 -11.991 7.255 -14.041 466 H ALA 64 HN ALA 64 -12.856 3.738 -11.361 467 HA ALA 64 HA ALA 64 -12.291 3.080 -8.550 468 HB1 ALA 64 HB1 ALA 64 -11.265 1.215 -9.186 469 HB2 ALA 64 HB2 ALA 64 -11.955 1.476 -10.788 470 HB3 ALA 64 HB3 ALA 64 -10.332 2.063 -10.419 471 H THR 65 HN THR 65 -10.782 4.192 -7.536 472 HA THR 65 HA THR 65 -8.882 5.770 -9.145 473 HB THR 65 HB THR 65 -9.235 6.886 -6.504 474 HG1 THR 65 HG1 THR 65 -11.519 6.104 -7.819 475 HG21 THR 65 HG21 THR 65 -10.130 8.300 -8.961 476 HG22 THR 65 HG22 THR 65 -8.437 7.814 -8.872 477 HG23 THR 65 HG23 THR 65 -9.117 8.872 -7.635 478 H LEU 66 HN LEU 66 -7.374 6.599 -6.821 479 HA LEU 66 HA LEU 66 -6.603 4.181 -5.446 480 HB2 LEU 66 HB2 LEU 66 -4.834 3.628 -6.680 481 HB3 LEU 66 HB3 LEU 66 -5.288 4.853 -7.845 482 HG LEU 66 HG LEU 66 -3.887 6.162 -5.752 483 HD11 LEU 66 HD11 LEU 66 -1.757 4.581 -6.659 484 HD12 LEU 66 HD12 LEU 66 -2.389 4.706 -5.018 485 HD13 LEU 66 HD13 LEU 66 -3.003 3.462 -6.107 486 HD21 LEU 66 HD21 LEU 66 -3.233 5.501 -8.614 487 HD22 LEU 66 HD22 LEU 66 -3.935 6.990 -7.982 488 HD23 LEU 66 HD23 LEU 66 -2.262 6.574 -7.608 489 H ALA 67 HN ALA 67 -5.736 4.617 -3.500 490 HA ALA 67 HA ALA 67 -5.139 7.427 -2.881 491 HB1 ALA 67 HB1 ALA 67 -7.556 6.347 -2.284 492 HB2 ALA 67 HB2 ALA 67 -6.652 5.996 -0.811 493 HB3 ALA 67 HB3 ALA 67 -6.798 7.658 -1.379 494 H ASP 68 HN ASP 68 -3.050 5.935 -3.187 495 HA ASP 68 HA ASP 68 -2.303 4.635 -0.740 496 HB2 ASP 68 HB2 ASP 68 -1.470 4.299 -3.312 497 HB3 ASP 68 HB3 ASP 68 -0.171 5.297 -2.663 498 H ALA 69 HN ALA 69 -1.432 5.608 0.949 499 HA ALA 69 HA ALA 69 -0.473 7.147 2.303 500 HB1 ALA 69 HB1 ALA 69 0.795 8.247 -0.204 501 HB2 ALA 69 HB2 ALA 69 1.295 8.574 1.455 502 HB3 ALA 69 HB3 ALA 69 1.458 6.949 0.789 Start of MODEL 11 1 H1 MET 1 H1 MET 1 1.880 -4.724 -1.512 2 H2 MET 1 H2 MET 1 2.417 -3.118 -1.504 3 H3 MET 1 H3 MET 1 1.318 -3.638 -2.682 4 HA MET 1 HA MET 1 -0.215 -4.194 -0.770 5 HB2 MET 1 HB2 MET 1 0.164 -3.140 1.310 6 HB3 MET 1 HB3 MET 1 1.695 -3.886 0.882 7 HG2 MET 1 HG2 MET 1 0.986 -0.968 0.623 8 HG3 MET 1 HG3 MET 1 2.046 -1.689 1.832 9 HE1 MET 1 HE1 MET 1 4.087 0.557 -0.896 10 HE2 MET 1 HE2 MET 1 2.371 0.725 -0.530 11 HE3 MET 1 HE3 MET 1 3.538 0.554 0.781 12 H THR 2 HN THR 2 0.065 -2.696 -3.227 13 HA THR 2 HA THR 2 -0.398 0.052 -2.950 14 HB THR 2 HB THR 2 -1.549 -1.588 -5.193 15 HG1 THR 2 HG1 THR 2 1.184 -0.877 -4.739 16 HG21 THR 2 HG21 THR 2 -1.873 0.926 -5.029 17 HG22 THR 2 HG22 THR 2 -1.136 0.340 -6.521 18 HG23 THR 2 HG23 THR 2 -0.130 1.070 -5.270 19 H HIS 3 HN HIS 3 -2.119 1.181 -2.305 20 HA HIS 3 HA HIS 3 -4.603 -0.263 -1.801 21 HB2 HIS 3 HB2 HIS 3 -3.791 2.526 -0.981 22 HB3 HIS 3 HB3 HIS 3 -5.276 1.721 -0.510 23 HD1 HIS 3 HD1 HIS 3 -1.521 1.417 -0.018 24 HD2 HIS 3 HD2 HIS 3 -5.088 0.183 1.736 25 HE1 HIS 3 HE1 HIS 3 -0.874 0.322 2.150 26 HE2 HIS 3 HE2 HIS 3 -3.053 -0.210 3.283 27 H LEU 4 HN LEU 4 -6.449 0.126 -2.809 28 HA LEU 4 HA LEU 4 -6.433 2.075 -5.019 29 HB2 LEU 4 HB2 LEU 4 -7.005 -0.736 -4.961 30 HB3 LEU 4 HB3 LEU 4 -8.466 0.128 -5.396 31 HG LEU 4 HG LEU 4 -6.927 1.334 -7.125 32 HD11 LEU 4 HD11 LEU 4 -4.840 0.624 -7.336 33 HD12 LEU 4 HD12 LEU 4 -5.081 -0.445 -5.955 34 HD13 LEU 4 HD13 LEU 4 -5.398 -1.030 -7.588 35 HD21 LEU 4 HD21 LEU 4 -7.967 0.072 -8.658 36 HD22 LEU 4 HD22 LEU 4 -7.306 -1.432 -8.014 37 HD23 LEU 4 HD23 LEU 4 -8.729 -0.704 -7.267 38 H LYS 5 HN LYS 5 -8.622 2.953 -5.544 39 HA LYS 5 HA LYS 5 -10.224 3.188 -3.081 40 HB2 LYS 5 HB2 LYS 5 -9.301 5.206 -5.052 41 HB3 LYS 5 HB3 LYS 5 -10.908 5.422 -4.374 42 HG2 LYS 5 HG2 LYS 5 -9.493 4.938 -2.127 43 HG3 LYS 5 HG3 LYS 5 -8.269 5.730 -3.120 44 HD2 LYS 5 HD2 LYS 5 -9.283 7.506 -2.014 45 HD3 LYS 5 HD3 LYS 5 -10.104 7.487 -3.576 46 HE2 LYS 5 HE2 LYS 5 -11.821 5.962 -2.383 47 HE3 LYS 5 HE3 LYS 5 -11.110 6.597 -0.900 48 HZ1 LYS 5 HZ1 LYS 5 -12.214 8.288 -3.076 49 HZ2 LYS 5 HZ2 LYS 5 -11.683 8.805 -1.549 50 HZ3 LYS 5 HZ3 LYS 5 -13.077 7.848 -1.682 51 H ILE 6 HN ILE 6 -12.409 3.012 -3.202 52 HA ILE 6 HA ILE 6 -13.491 2.094 -5.789 53 HB ILE 6 HB ILE 6 -14.283 1.296 -2.982 54 HG12 ILE 6 HG12 ILE 6 -12.262 0.171 -3.638 55 HG13 ILE 6 HG13 ILE 6 -13.586 -0.982 -3.776 56 HG21 ILE 6 HG21 ILE 6 -15.536 -0.434 -4.742 57 HG22 ILE 6 HG22 ILE 6 -16.300 0.863 -3.826 58 HG23 ILE 6 HG23 ILE 6 -15.753 1.155 -5.477 59 HD11 ILE 6 HD11 ILE 6 -12.025 -1.135 -5.647 60 HD12 ILE 6 HD12 ILE 6 -13.640 -0.670 -6.176 61 HD13 ILE 6 HD13 ILE 6 -12.367 0.543 -6.067 62 H THR 7 HN THR 7 -15.153 3.215 -6.632 63 HA THR 7 HA THR 7 -16.679 5.009 -4.889 64 HB THR 7 HB THR 7 -16.292 6.395 -7.316 65 HG1 THR 7 HG1 THR 7 -14.365 4.891 -7.321 66 HG21 THR 7 HG21 THR 7 -16.634 7.621 -5.337 67 HG22 THR 7 HG22 THR 7 -14.955 7.945 -5.769 68 HG23 THR 7 HG23 THR 7 -15.330 6.788 -4.492 69 H GLY 8 HN GLY 8 -18.607 5.908 -6.051 70 HA2 GLY 8 HA1 GLY 8 -20.241 5.793 -7.753 71 HA3 GLY 8 HA2 GLY 8 -19.473 4.332 -8.359 72 H MET 9 HN MET 9 -19.380 2.668 -6.283 73 HA MET 9 HA MET 9 -22.194 2.066 -5.872 74 HB2 MET 9 HB2 MET 9 -19.729 0.473 -5.162 75 HB3 MET 9 HB3 MET 9 -21.384 -0.067 -4.938 76 HG2 MET 9 HG2 MET 9 -21.759 -0.324 -7.171 77 HG3 MET 9 HG3 MET 9 -20.518 0.837 -7.631 78 HE1 MET 9 HE1 MET 9 -17.242 -1.147 -6.861 79 HE2 MET 9 HE2 MET 9 -17.834 0.122 -7.934 80 HE3 MET 9 HE3 MET 9 -18.103 0.241 -6.194 81 H THR 10 HN THR 10 -22.785 1.132 -3.651 82 HA THR 10 HA THR 10 -22.326 3.177 -1.701 83 HB THR 10 HB THR 10 -23.673 0.915 -0.608 84 HG1 THR 10 HG1 THR 10 -25.358 1.412 -2.582 85 HG21 THR 10 HG21 THR 10 -23.953 3.655 -0.674 86 HG22 THR 10 HG22 THR 10 -25.088 2.524 0.064 87 HG23 THR 10 HG23 THR 10 -25.353 3.091 -1.585 88 H CYS 11 HN CYS 11 -22.241 -0.336 -1.260 89 HA CYS 11 HA CYS 11 -19.619 -0.507 -0.225 90 HB2 CYS 11 HB2 CYS 11 -20.351 -0.984 2.155 91 HB3 CYS 11 HB3 CYS 11 -20.347 0.705 1.672 92 HG CYS 11 HG CYS 11 -23.238 -1.099 1.508 93 H ASP 12 HN ASP 12 -19.500 -2.651 1.140 94 HA ASP 12 HA ASP 12 -19.653 -4.970 0.851 95 HB2 ASP 12 HB2 ASP 12 -20.906 -3.890 2.911 96 HB3 ASP 12 HB3 ASP 12 -22.296 -4.661 2.151 97 H SER 13 HN SER 13 -20.123 -6.522 -0.464 98 HA SER 13 HA SER 13 -21.130 -7.813 -2.041 99 HB2 SER 13 HB2 SER 13 -23.506 -5.941 -2.071 100 HB3 SER 13 HB3 SER 13 -23.425 -7.590 -2.693 101 HG SER 13 HG SER 13 -23.833 -6.685 -0.128 102 H CYS 14 HN CYS 14 -21.737 -4.329 -2.568 103 HA CYS 14 HA CYS 14 -21.103 -4.369 -5.319 104 HB2 CYS 14 HB2 CYS 14 -20.678 -2.089 -3.369 105 HB3 CYS 14 HB3 CYS 14 -20.848 -1.956 -5.115 106 HG CYS 14 HG CYS 14 -23.529 -3.347 -4.634 107 H ALA 15 HN ALA 15 -19.174 -3.862 -2.421 108 HA ALA 15 HA ALA 15 -16.685 -3.573 -3.768 109 HB1 ALA 15 HB1 ALA 15 -15.842 -4.257 -1.384 110 HB2 ALA 15 HB2 ALA 15 -16.605 -2.689 -1.648 111 HB3 ALA 15 HB3 ALA 15 -17.534 -4.015 -0.945 112 H ALA 16 HN ALA 16 -18.631 -6.266 -2.824 113 HA ALA 16 HA ALA 16 -16.566 -8.237 -2.831 114 HB1 ALA 16 HB1 ALA 16 -18.529 -8.797 -1.634 115 HB2 ALA 16 HB2 ALA 16 -19.564 -8.421 -3.012 116 HB3 ALA 16 HB3 ALA 16 -18.517 -9.839 -3.057 117 H HIS 17 HN HIS 17 -18.957 -7.100 -5.182 118 HA HIS 17 HA HIS 17 -18.302 -8.753 -7.331 119 HB2 HIS 17 HB2 HIS 17 -20.116 -6.820 -6.979 120 HB3 HIS 17 HB3 HIS 17 -18.918 -5.892 -7.873 121 HD1 HIS 17 HD1 HIS 17 -18.898 -9.339 -9.024 122 HD2 HIS 17 HD2 HIS 17 -21.160 -5.928 -9.787 123 HE1 HIS 17 HE1 HIS 17 -20.054 -9.759 -11.220 124 HE2 HIS 17 HE2 HIS 17 -21.568 -7.771 -11.551 125 H VAL 18 HN VAL 18 -16.961 -5.628 -6.355 126 HA VAL 18 HA VAL 18 -15.001 -5.390 -8.344 127 HB VAL 18 HB VAL 18 -15.001 -4.364 -5.497 128 HG11 VAL 18 HG11 VAL 18 -13.366 -3.035 -7.573 129 HG12 VAL 18 HG12 VAL 18 -13.069 -3.228 -5.846 130 HG13 VAL 18 HG13 VAL 18 -12.759 -4.569 -6.948 131 HG21 VAL 18 HG21 VAL 18 -15.405 -2.660 -7.903 132 HG22 VAL 18 HG22 VAL 18 -16.743 -3.662 -7.338 133 HG23 VAL 18 HG23 VAL 18 -16.023 -2.463 -6.263 134 H LYS 19 HN LYS 19 -14.937 -6.924 -5.153 135 HA LYS 19 HA LYS 19 -12.260 -7.696 -5.108 136 HB2 LYS 19 HB2 LYS 19 -13.772 -7.871 -3.168 137 HB3 LYS 19 HB3 LYS 19 -14.624 -9.190 -3.956 138 HG2 LYS 19 HG2 LYS 19 -12.186 -10.229 -4.025 139 HG3 LYS 19 HG3 LYS 19 -11.971 -9.160 -2.637 140 HD2 LYS 19 HD2 LYS 19 -12.671 -11.336 -1.866 141 HD3 LYS 19 HD3 LYS 19 -13.973 -10.177 -1.594 142 HE2 LYS 19 HE2 LYS 19 -15.340 -11.529 -2.703 143 HE3 LYS 19 HE3 LYS 19 -14.396 -11.221 -4.160 144 HZ1 LYS 19 HZ1 LYS 19 -13.846 -13.379 -2.190 145 HZ2 LYS 19 HZ2 LYS 19 -12.993 -13.100 -3.634 146 HZ3 LYS 19 HZ3 LYS 19 -14.617 -13.588 -3.685 147 H GLU 20 HN GLU 20 -15.085 -9.442 -6.415 148 HA GLU 20 HA GLU 20 -13.637 -11.688 -7.305 149 HB2 GLU 20 HB2 GLU 20 -16.047 -10.641 -8.766 150 HB3 GLU 20 HB3 GLU 20 -15.525 -12.307 -8.583 151 HG2 GLU 20 HG2 GLU 20 -16.531 -12.545 -6.583 152 HG3 GLU 20 HG3 GLU 20 -16.213 -10.879 -6.100 153 H ALA 21 HN ALA 21 -14.437 -8.637 -8.879 154 HA ALA 21 HA ALA 21 -13.393 -9.250 -11.415 155 HB1 ALA 21 HB1 ALA 21 -14.735 -7.141 -10.408 156 HB2 ALA 21 HB2 ALA 21 -13.110 -6.462 -10.492 157 HB3 ALA 21 HB3 ALA 21 -13.874 -7.104 -11.946 158 H LEU 22 HN LEU 22 -11.932 -7.977 -8.491 159 HA LEU 22 HA LEU 22 -9.365 -7.479 -9.601 160 HB2 LEU 22 HB2 LEU 22 -10.451 -7.775 -6.830 161 HB3 LEU 22 HB3 LEU 22 -8.714 -7.761 -7.077 162 HG LEU 22 HG LEU 22 -10.480 -5.554 -8.113 163 HD11 LEU 22 HD11 LEU 22 -9.651 -4.318 -6.046 164 HD12 LEU 22 HD12 LEU 22 -10.943 -5.495 -5.812 165 HD13 LEU 22 HD13 LEU 22 -9.283 -5.910 -5.382 166 HD21 LEU 22 HD21 LEU 22 -8.186 -4.370 -7.653 167 HD22 LEU 22 HD22 LEU 22 -7.555 -6.012 -7.776 168 HD23 LEU 22 HD23 LEU 22 -8.437 -5.303 -9.129 169 H GLU 23 HN GLU 23 -10.778 -10.215 -7.849 170 HA GLU 23 HA GLU 23 -8.351 -11.722 -7.845 171 HB2 GLU 23 HB2 GLU 23 -11.206 -12.446 -7.214 172 HB3 GLU 23 HB3 GLU 23 -9.879 -13.597 -7.094 173 HG2 GLU 23 HG2 GLU 23 -8.760 -12.057 -5.504 174 HG3 GLU 23 HG3 GLU 23 -10.190 -11.034 -5.554 175 H LYS 24 HN LYS 24 -10.708 -11.140 -10.210 176 HA LYS 24 HA LYS 24 -10.280 -13.554 -11.708 177 HB2 LYS 24 HB2 LYS 24 -11.986 -12.802 -12.955 178 HB3 LYS 24 HB3 LYS 24 -12.129 -11.498 -11.791 179 HG2 LYS 24 HG2 LYS 24 -10.776 -10.057 -13.168 180 HG3 LYS 24 HG3 LYS 24 -10.476 -11.374 -14.304 181 HD2 LYS 24 HD2 LYS 24 -13.227 -11.291 -14.126 182 HD3 LYS 24 HD3 LYS 24 -12.763 -9.590 -14.069 183 HE2 LYS 24 HE2 LYS 24 -11.162 -10.580 -16.060 184 HE3 LYS 24 HE3 LYS 24 -12.648 -11.502 -16.276 185 HZ1 LYS 24 HZ1 LYS 24 -12.905 -9.587 -17.570 186 HZ2 LYS 24 HZ2 LYS 24 -12.285 -8.563 -16.366 187 HZ3 LYS 24 HZ3 LYS 24 -13.816 -9.269 -16.173 188 H VAL 25 HN VAL 25 -8.551 -10.708 -11.155 189 HA VAL 25 HA VAL 25 -7.002 -10.784 -13.605 190 HB VAL 25 HB VAL 25 -6.749 -9.129 -11.087 191 HG11 VAL 25 HG11 VAL 25 -5.265 -7.847 -13.016 192 HG12 VAL 25 HG12 VAL 25 -4.614 -8.805 -11.685 193 HG13 VAL 25 HG13 VAL 25 -4.855 -9.546 -13.269 194 HG21 VAL 25 HG21 VAL 25 -8.627 -8.397 -12.292 195 HG22 VAL 25 HG22 VAL 25 -7.335 -7.285 -12.745 196 HG23 VAL 25 HG23 VAL 25 -7.809 -8.580 -13.843 197 HA PRO 26 HA PRO 26 -4.448 -14.030 -11.964 198 HB2 PRO 26 HB2 PRO 26 -2.626 -13.309 -14.169 199 HB3 PRO 26 HB3 PRO 26 -3.446 -14.837 -13.841 200 HG2 PRO 26 HG2 PRO 26 -4.210 -13.254 -15.862 201 HG3 PRO 26 HG3 PRO 26 -5.387 -14.179 -14.911 202 HD2 PRO 26 HD2 PRO 26 -4.678 -11.275 -14.743 203 HD3 PRO 26 HD3 PRO 26 -6.274 -12.051 -14.660 204 H GLY 27 HN GLY 27 -3.448 -10.758 -12.385 205 HA2 GLY 27 HA1 GLY 27 -0.810 -11.179 -11.245 206 HA3 GLY 27 HA2 GLY 27 -1.493 -9.644 -11.757 207 H VAL 28 HN VAL 28 -3.821 -11.045 -9.925 208 HA VAL 28 HA VAL 28 -3.059 -9.394 -7.643 209 HB VAL 28 HB VAL 28 -5.693 -10.641 -8.426 210 HG11 VAL 28 HG11 VAL 28 -6.505 -10.391 -6.369 211 HG12 VAL 28 HG12 VAL 28 -4.858 -10.097 -5.813 212 HG13 VAL 28 HG13 VAL 28 -5.890 -8.742 -6.269 213 HG21 VAL 28 HG21 VAL 28 -4.467 -8.277 -9.191 214 HG22 VAL 28 HG22 VAL 28 -6.175 -8.681 -9.363 215 HG23 VAL 28 HG23 VAL 28 -5.619 -7.786 -7.949 216 H GLN 29 HN GLN 29 -2.300 -10.209 -5.843 217 HA GLN 29 HA GLN 29 -2.214 -13.076 -5.410 218 HB2 GLN 29 HB2 GLN 29 -0.577 -10.918 -4.732 219 HB3 GLN 29 HB3 GLN 29 -1.286 -11.423 -3.204 220 HG2 GLN 29 HG2 GLN 29 -0.536 -13.761 -3.772 221 HG3 GLN 29 HG3 GLN 29 0.384 -13.047 -5.096 222 HE21 GLN 29 HE21 GLN 29 0.873 -14.307 -2.255 223 HE22 GLN 29 HE22 GLN 29 2.122 -13.287 -1.623 224 H SER 30 HN SER 30 -3.502 -10.197 -3.802 225 HA SER 30 HA SER 30 -5.736 -11.707 -2.752 226 HB2 SER 30 HB2 SER 30 -3.555 -10.604 -1.006 227 HB3 SER 30 HB3 SER 30 -5.216 -10.632 -0.414 228 HG SER 30 HG SER 30 -3.531 -12.789 -1.126 229 H ALA 31 HN ALA 31 -7.480 -10.336 -2.133 230 HA ALA 31 HA ALA 31 -7.053 -7.461 -2.566 231 HB1 ALA 31 HB1 ALA 31 -9.599 -8.234 -3.643 232 HB2 ALA 31 HB2 ALA 31 -8.264 -7.392 -4.431 233 HB3 ALA 31 HB3 ALA 31 -8.310 -9.156 -4.419 234 H LEU 32 HN LEU 32 -7.445 -6.781 -0.516 235 HA LEU 32 HA LEU 32 -9.884 -7.761 0.803 236 HB2 LEU 32 HB2 LEU 32 -7.819 -6.118 2.209 237 HB3 LEU 32 HB3 LEU 32 -8.912 -7.323 2.862 238 HG LEU 32 HG LEU 32 -6.810 -8.258 0.976 239 HD11 LEU 32 HD11 LEU 32 -6.187 -6.714 3.287 240 HD12 LEU 32 HD12 LEU 32 -5.726 -8.391 3.580 241 HD13 LEU 32 HD13 LEU 32 -5.094 -7.536 2.173 242 HD21 LEU 32 HD21 LEU 32 -6.836 -10.193 2.477 243 HD22 LEU 32 HD22 LEU 32 -7.993 -9.366 3.520 244 HD23 LEU 32 HD23 LEU 32 -8.451 -9.816 1.876 245 H VAL 33 HN VAL 33 -11.367 -6.450 -0.230 246 HA VAL 33 HA VAL 33 -10.980 -3.594 -0.364 247 HB VAL 33 HB VAL 33 -13.594 -4.961 -0.902 248 HG11 VAL 33 HG11 VAL 33 -13.709 -2.598 -1.026 249 HG12 VAL 33 HG12 VAL 33 -12.216 -2.508 -1.962 250 HG13 VAL 33 HG13 VAL 33 -13.673 -3.187 -2.690 251 HG21 VAL 33 HG21 VAL 33 -12.764 -5.195 -3.291 252 HG22 VAL 33 HG22 VAL 33 -11.138 -4.996 -2.635 253 HG23 VAL 33 HG23 VAL 33 -12.137 -6.357 -2.120 254 H SER 34 HN SER 34 -11.520 -2.194 1.164 255 HA SER 34 HA SER 34 -13.106 -3.095 3.441 256 HB2 SER 34 HB2 SER 34 -11.863 -0.382 3.310 257 HB3 SER 34 HB3 SER 34 -12.025 -1.476 4.684 258 HG SER 34 HG SER 34 -10.432 -2.823 3.627 259 H TYR 35 HN TYR 35 -15.230 -2.860 3.206 260 HA TYR 35 HA TYR 35 -16.431 -1.218 1.294 261 HB2 TYR 35 HB2 TYR 35 -18.362 -1.739 3.307 262 HB3 TYR 35 HB3 TYR 35 -18.191 -2.491 1.732 263 HD1 TYR 35 HD2 TYR 35 -16.667 -4.563 1.567 264 HD2 TYR 35 HD1 TYR 35 -18.027 -2.947 5.260 265 HE1 TYR 35 HE2 TYR 35 -16.215 -6.717 2.674 266 HE2 TYR 35 HE1 TYR 35 -17.586 -5.089 6.371 267 HH TYR 35 HH TYR 35 -17.448 -7.764 5.206 268 HA PRO 36 HA PRO 36 -17.780 1.846 4.674 269 HB2 PRO 36 HB2 PRO 36 -16.743 1.778 7.151 270 HB3 PRO 36 HB3 PRO 36 -18.102 0.753 6.675 271 HG2 PRO 36 HG2 PRO 36 -15.206 0.060 6.932 272 HG3 PRO 36 HG3 PRO 36 -16.632 -0.876 7.417 273 HD2 PRO 36 HD2 PRO 36 -15.224 -1.315 5.107 274 HD3 PRO 36 HD3 PRO 36 -16.935 -1.729 5.321 275 H LYS 37 HN LYS 37 -14.667 1.097 3.840 276 HA LYS 37 HA LYS 37 -13.639 3.725 4.650 277 HB2 LYS 37 HB2 LYS 37 -12.468 1.234 4.826 278 HB3 LYS 37 HB3 LYS 37 -11.752 1.895 3.364 279 HG2 LYS 37 HG2 LYS 37 -11.033 3.870 4.615 280 HG3 LYS 37 HG3 LYS 37 -11.735 3.186 6.083 281 HD2 LYS 37 HD2 LYS 37 -10.229 1.246 5.862 282 HD3 LYS 37 HD3 LYS 37 -9.498 2.001 4.444 283 HE2 LYS 37 HE2 LYS 37 -8.849 3.924 5.848 284 HE3 LYS 37 HE3 LYS 37 -9.513 3.094 7.255 285 HZ1 LYS 37 HZ1 LYS 37 -7.158 2.750 7.172 286 HZ2 LYS 37 HZ2 LYS 37 -7.239 2.196 5.572 287 HZ3 LYS 37 HZ3 LYS 37 -7.922 1.275 6.822 288 H GLY 38 HN GLY 38 -14.771 1.883 2.012 289 HA2 GLY 38 HA1 GLY 38 -15.062 2.398 -0.206 290 HA3 GLY 38 HA2 GLY 38 -14.578 4.044 0.182 291 H THR 39 HN THR 39 -12.558 1.269 0.853 292 HA THR 39 HA THR 39 -10.807 2.030 -1.383 293 HB THR 39 HB THR 39 -9.005 1.390 0.586 294 HG1 THR 39 HG1 THR 39 -10.884 3.148 1.790 295 HG21 THR 39 HG21 THR 39 -8.278 3.603 0.416 296 HG22 THR 39 HG22 THR 39 -9.913 4.225 0.195 297 HG23 THR 39 HG23 THR 39 -9.124 3.335 -1.107 298 H ALA 40 HN ALA 40 -9.277 0.394 -1.991 299 HA ALA 40 HA ALA 40 -10.021 -2.306 -1.068 300 HB1 ALA 40 HB1 ALA 40 -9.247 -3.046 -3.360 301 HB2 ALA 40 HB2 ALA 40 -10.748 -2.123 -3.317 302 HB3 ALA 40 HB3 ALA 40 -9.248 -1.343 -3.814 303 H GLN 41 HN GLN 41 -8.448 -3.168 0.112 304 HA GLN 41 HA GLN 41 -5.693 -2.264 -0.322 305 HB2 GLN 41 HB2 GLN 41 -6.845 -2.314 1.991 306 HB3 GLN 41 HB3 GLN 41 -6.623 -4.057 1.911 307 HG2 GLN 41 HG2 GLN 41 -4.179 -3.636 1.569 308 HG3 GLN 41 HG3 GLN 41 -4.495 -1.936 1.912 309 HE21 GLN 41 HE21 GLN 41 -5.108 -5.146 3.266 310 HE22 GLN 41 HE22 GLN 41 -4.848 -4.695 4.918 311 H LEU 42 HN LEU 42 -5.004 -3.420 -2.070 312 HA LEU 42 HA LEU 42 -5.263 -6.340 -1.868 313 HB2 LEU 42 HB2 LEU 42 -5.617 -6.526 -4.159 314 HB3 LEU 42 HB3 LEU 42 -6.596 -5.154 -3.684 315 HG LEU 42 HG LEU 42 -3.867 -4.525 -4.640 316 HD11 LEU 42 HD11 LEU 42 -4.006 -5.635 -6.552 317 HD12 LEU 42 HD12 LEU 42 -5.615 -6.228 -6.147 318 HD13 LEU 42 HD13 LEU 42 -5.426 -4.675 -6.960 319 HD21 LEU 42 HD21 LEU 42 -4.990 -2.648 -5.625 320 HD22 LEU 42 HD22 LEU 42 -6.569 -3.373 -5.316 321 HD23 LEU 42 HD23 LEU 42 -5.565 -2.836 -3.968 322 H ALA 43 HN ALA 43 -3.613 -7.570 -2.935 323 HA ALA 43 HA ALA 43 -1.014 -6.191 -3.047 324 HB1 ALA 43 HB1 ALA 43 -1.646 -8.941 -1.977 325 HB2 ALA 43 HB2 ALA 43 -0.013 -8.343 -2.268 326 HB3 ALA 43 HB3 ALA 43 -1.039 -7.558 -1.067 327 H ILE 44 HN ILE 44 -0.087 -6.315 -4.993 328 HA ILE 44 HA ILE 44 -1.054 -8.387 -6.848 329 HB ILE 44 HB ILE 44 -0.100 -6.686 -8.603 330 HG12 ILE 44 HG12 ILE 44 -1.114 -4.483 -7.026 331 HG13 ILE 44 HG13 ILE 44 0.277 -5.220 -6.240 332 HG21 ILE 44 HG21 ILE 44 -2.711 -6.029 -7.267 333 HG22 ILE 44 HG22 ILE 44 -2.285 -5.865 -8.969 334 HG23 ILE 44 HG23 ILE 44 -2.471 -7.467 -8.258 335 HD11 ILE 44 HD11 ILE 44 0.195 -3.449 -8.472 336 HD12 ILE 44 HD12 ILE 44 1.592 -4.073 -7.593 337 HD13 ILE 44 HD13 ILE 44 0.935 -4.974 -8.959 338 H VAL 45 HN VAL 45 0.425 -9.320 -8.284 339 HA VAL 45 HA VAL 45 3.055 -9.726 -7.230 340 HB VAL 45 HB VAL 45 2.013 -10.552 -9.950 341 HG11 VAL 45 HG11 VAL 45 4.543 -10.698 -9.126 342 HG12 VAL 45 HG12 VAL 45 3.940 -12.192 -8.406 343 HG13 VAL 45 HG13 VAL 45 3.805 -11.934 -10.147 344 HG21 VAL 45 HG21 VAL 45 1.870 -12.778 -8.339 345 HG22 VAL 45 HG22 VAL 45 1.287 -11.488 -7.285 346 HG23 VAL 45 HG23 VAL 45 0.506 -11.779 -8.840 347 HA PRO 46 HA PRO 46 5.232 -6.266 -9.062 348 HB2 PRO 46 HB2 PRO 46 7.298 -8.405 -9.382 349 HB3 PRO 46 HB3 PRO 46 7.473 -6.759 -8.762 350 HG2 PRO 46 HG2 PRO 46 7.382 -8.824 -7.090 351 HG3 PRO 46 HG3 PRO 46 6.565 -7.300 -6.695 352 HD2 PRO 46 HD2 PRO 46 5.409 -9.897 -7.571 353 HD3 PRO 46 HD3 PRO 46 4.722 -8.654 -6.508 354 H GLY 47 HN GLY 47 4.463 -5.748 -11.010 355 HA2 GLY 47 HA1 GLY 47 5.270 -6.082 -13.443 356 HA3 GLY 47 HA2 GLY 47 4.637 -7.709 -13.201 357 H THR 48 HN THR 48 2.500 -6.761 -11.469 358 HA THR 48 HA THR 48 0.521 -6.081 -13.425 359 HB THR 48 HB THR 48 0.025 -5.888 -10.477 360 HG1 THR 48 HG1 THR 48 1.123 -7.791 -10.484 361 HG21 THR 48 HG21 THR 48 -1.707 -7.460 -12.281 362 HG22 THR 48 HG22 THR 48 -1.636 -5.727 -12.599 363 HG23 THR 48 HG23 THR 48 -2.137 -6.311 -11.013 364 H SER 49 HN SER 49 -0.983 -4.212 -13.086 365 HA SER 49 HA SER 49 0.502 -1.894 -12.136 366 HB2 SER 49 HB2 SER 49 -1.117 -1.791 -14.668 367 HB3 SER 49 HB3 SER 49 0.137 -0.679 -14.120 368 HG SER 49 HG SER 49 1.683 -2.288 -14.495 369 HA PRO 50 HA PRO 50 -3.280 -1.221 -9.976 370 HB2 PRO 50 HB2 PRO 50 -2.326 1.509 -9.486 371 HB3 PRO 50 HB3 PRO 50 -2.620 0.204 -8.333 372 HG2 PRO 50 HG2 PRO 50 -0.130 1.033 -8.950 373 HG3 PRO 50 HG3 PRO 50 -0.496 -0.659 -8.566 374 HD2 PRO 50 HD2 PRO 50 -0.077 0.629 -11.234 375 HD3 PRO 50 HD3 PRO 50 0.492 -0.945 -10.641 376 H ASP 51 HN ASP 51 -2.233 0.957 -12.511 377 HA ASP 51 HA ASP 51 -4.716 2.392 -12.590 378 HB2 ASP 51 HB2 ASP 51 -2.341 3.030 -13.581 379 HB3 ASP 51 HB3 ASP 51 -2.946 2.174 -14.995 380 H ALA 52 HN ALA 52 -3.561 -0.623 -13.618 381 HA ALA 52 HA ALA 52 -5.434 -0.983 -15.772 382 HB1 ALA 52 HB1 ALA 52 -3.182 -2.137 -15.585 383 HB2 ALA 52 HB2 ALA 52 -3.930 -3.171 -14.368 384 HB3 ALA 52 HB3 ALA 52 -4.554 -3.158 -16.017 385 H LEU 53 HN LEU 53 -5.155 -1.908 -12.403 386 HA LEU 53 HA LEU 53 -7.536 -3.448 -12.273 387 HB2 LEU 53 HB2 LEU 53 -6.388 -1.881 -9.975 388 HB3 LEU 53 HB3 LEU 53 -7.262 -3.399 -9.927 389 HG LEU 53 HG LEU 53 -4.610 -3.280 -11.306 390 HD11 LEU 53 HD11 LEU 53 -3.597 -3.956 -9.102 391 HD12 LEU 53 HD12 LEU 53 -4.050 -2.259 -9.251 392 HD13 LEU 53 HD13 LEU 53 -5.074 -3.368 -8.337 393 HD21 LEU 53 HD21 LEU 53 -4.668 -5.534 -11.172 394 HD22 LEU 53 HD22 LEU 53 -5.454 -5.530 -9.594 395 HD23 LEU 53 HD23 LEU 53 -6.405 -5.259 -11.052 396 H THR 54 HN THR 54 -6.717 -0.093 -11.668 397 HA THR 54 HA THR 54 -9.181 0.944 -10.956 398 HB THR 54 HB THR 54 -6.964 2.166 -12.619 399 HG1 THR 54 HG1 THR 54 -6.257 1.752 -10.557 400 HG21 THR 54 HG21 THR 54 -9.424 3.193 -12.628 401 HG22 THR 54 HG22 THR 54 -7.978 4.202 -12.612 402 HG23 THR 54 HG23 THR 54 -8.850 3.887 -11.111 403 H ALA 55 HN ALA 55 -7.778 0.574 -14.209 404 HA ALA 55 HA ALA 55 -10.074 1.492 -15.585 405 HB1 ALA 55 HB1 ALA 55 -8.210 -0.431 -16.889 406 HB2 ALA 55 HB2 ALA 55 -8.928 1.051 -17.520 407 HB3 ALA 55 HB3 ALA 55 -7.583 1.137 -16.380 408 H ALA 56 HN ALA 56 -9.067 -1.662 -14.447 409 HA ALA 56 HA ALA 56 -10.979 -3.184 -15.841 410 HB1 ALA 56 HB1 ALA 56 -10.172 -4.951 -14.691 411 HB2 ALA 56 HB2 ALA 56 -8.902 -3.808 -14.251 412 HB3 ALA 56 HB3 ALA 56 -10.240 -4.110 -13.141 413 H VAL 57 HN VAL 57 -11.094 -1.692 -12.598 414 HA VAL 57 HA VAL 57 -13.765 -2.609 -12.142 415 HB VAL 57 HB VAL 57 -12.338 -0.384 -10.710 416 HG11 VAL 57 HG11 VAL 57 -14.190 -1.970 -9.157 417 HG12 VAL 57 HG12 VAL 57 -14.115 -0.222 -9.377 418 HG13 VAL 57 HG13 VAL 57 -14.984 -1.221 -10.542 419 HG21 VAL 57 HG21 VAL 57 -11.145 -2.616 -10.755 420 HG22 VAL 57 HG22 VAL 57 -11.511 -1.956 -9.161 421 HG23 VAL 57 HG23 VAL 57 -12.505 -3.250 -9.828 422 H ALA 58 HN ALA 58 -12.331 0.444 -13.264 423 HA ALA 58 HA ALA 58 -14.742 1.894 -13.426 424 HB1 ALA 58 HB1 ALA 58 -13.280 3.494 -13.904 425 HB2 ALA 58 HB2 ALA 58 -12.012 2.295 -14.161 426 HB3 ALA 58 HB3 ALA 58 -13.052 2.779 -15.501 427 H GLY 59 HN GLY 59 -13.185 -0.363 -15.599 428 HA2 GLY 59 HA1 GLY 59 -14.911 0.140 -17.820 429 HA3 GLY 59 HA2 GLY 59 -13.840 -1.239 -17.623 430 H LEU 60 HN LEU 60 -15.338 -1.546 -14.895 431 HA LEU 60 HA LEU 60 -17.283 -3.396 -15.967 432 HB2 LEU 60 HB2 LEU 60 -15.823 -3.063 -13.486 433 HB3 LEU 60 HB3 LEU 60 -17.503 -3.467 -13.212 434 HG LEU 60 HG LEU 60 -15.341 -5.192 -13.877 435 HD11 LEU 60 HD11 LEU 60 -17.460 -6.815 -13.791 436 HD12 LEU 60 HD12 LEU 60 -16.742 -6.096 -12.351 437 HD13 LEU 60 HD13 LEU 60 -18.178 -5.375 -13.074 438 HD21 LEU 60 HD21 LEU 60 -16.215 -6.405 -15.772 439 HD22 LEU 60 HD22 LEU 60 -17.569 -5.281 -15.908 440 HD23 LEU 60 HD23 LEU 60 -15.926 -4.727 -16.231 441 H GLY 61 HN GLY 61 -17.469 -0.303 -15.705 442 HA2 GLY 61 HA1 GLY 61 -19.439 0.959 -15.909 443 HA3 GLY 61 HA2 GLY 61 -20.322 -0.336 -15.117 444 H TYR 62 HN TYR 62 -17.694 0.045 -13.261 445 HA TYR 62 HA TYR 62 -19.122 1.853 -11.446 446 HB2 TYR 62 HB2 TYR 62 -16.905 -0.067 -10.725 447 HB3 TYR 62 HB3 TYR 62 -18.042 0.725 -9.641 448 HD1 TYR 62 HD2 TYR 62 -20.632 0.248 -10.639 449 HD2 TYR 62 HD1 TYR 62 -17.265 -2.347 -10.810 450 HE1 TYR 62 HE2 TYR 62 -22.142 -1.683 -10.814 451 HE2 TYR 62 HE1 TYR 62 -18.766 -4.289 -10.989 452 HH TYR 62 HH TYR 62 -21.976 -4.223 -10.250 453 H LYS 63 HN LYS 63 -17.156 2.684 -9.758 454 HA LYS 63 HA LYS 63 -15.304 4.078 -11.574 455 HB2 LYS 63 HB2 LYS 63 -17.331 5.166 -9.873 456 HB3 LYS 63 HB3 LYS 63 -15.760 5.672 -9.269 457 HG2 LYS 63 HG2 LYS 63 -15.910 7.317 -10.754 458 HG3 LYS 63 HG3 LYS 63 -15.522 6.090 -11.963 459 HD2 LYS 63 HD2 LYS 63 -18.362 6.342 -11.151 460 HD3 LYS 63 HD3 LYS 63 -17.686 7.645 -12.132 461 HE2 LYS 63 HE2 LYS 63 -16.902 5.091 -13.192 462 HE3 LYS 63 HE3 LYS 63 -18.654 5.159 -13.006 463 HZ1 LYS 63 HZ1 LYS 63 -18.851 6.806 -14.536 464 HZ2 LYS 63 HZ2 LYS 63 -17.458 6.054 -15.151 465 HZ3 LYS 63 HZ3 LYS 63 -17.317 7.464 -14.219 466 H ALA 64 HN ALA 64 -13.321 3.305 -11.178 467 HA ALA 64 HA ALA 64 -12.554 3.048 -8.347 468 HB1 ALA 64 HB1 ALA 64 -10.710 1.521 -9.587 469 HB2 ALA 64 HB2 ALA 64 -12.210 0.900 -8.901 470 HB3 ALA 64 HB3 ALA 64 -12.107 1.250 -10.627 471 H THR 65 HN THR 65 -10.391 3.525 -7.828 472 HA THR 65 HA THR 65 -8.619 4.586 -9.819 473 HB THR 65 HB THR 65 -9.903 6.624 -9.242 474 HG1 THR 65 HG1 THR 65 -7.986 7.384 -9.715 475 HG21 THR 65 HG21 THR 65 -10.667 6.729 -7.130 476 HG22 THR 65 HG22 THR 65 -9.093 7.444 -6.779 477 HG23 THR 65 HG23 THR 65 -9.361 5.722 -6.503 478 H LEU 66 HN LEU 66 -6.872 5.790 -7.820 479 HA LEU 66 HA LEU 66 -6.377 3.627 -5.956 480 HB2 LEU 66 HB2 LEU 66 -4.271 2.950 -6.781 481 HB3 LEU 66 HB3 LEU 66 -5.372 2.902 -8.144 482 HG LEU 66 HG LEU 66 -4.103 5.469 -8.074 483 HD11 LEU 66 HD11 LEU 66 -2.402 4.040 -6.780 484 HD12 LEU 66 HD12 LEU 66 -2.097 3.258 -8.331 485 HD13 LEU 66 HD13 LEU 66 -1.827 4.991 -8.149 486 HD21 LEU 66 HD21 LEU 66 -4.884 3.488 -9.912 487 HD22 LEU 66 HD22 LEU 66 -4.287 5.111 -10.256 488 HD23 LEU 66 HD23 LEU 66 -3.158 3.758 -10.166 489 H ALA 67 HN ALA 67 -5.168 4.186 -4.259 490 HA ALA 67 HA ALA 67 -3.584 6.597 -4.221 491 HB1 ALA 67 HB1 ALA 67 -5.180 7.972 -3.487 492 HB2 ALA 67 HB2 ALA 67 -6.333 6.646 -3.319 493 HB3 ALA 67 HB3 ALA 67 -5.219 7.020 -2.001 494 H ASP 68 HN ASP 68 -1.861 5.442 -3.506 495 HA ASP 68 HA ASP 68 -2.071 3.430 -1.532 496 HB2 ASP 68 HB2 ASP 68 -0.246 3.809 -3.400 497 HB3 ASP 68 HB3 ASP 68 0.552 4.724 -2.123 498 H ALA 69 HN ALA 69 -2.964 4.264 0.303 499 HA ALA 69 HA ALA 69 -1.259 6.099 1.835 500 HB1 ALA 69 HB1 ALA 69 -3.196 7.256 2.693 501 HB2 ALA 69 HB2 ALA 69 -3.233 7.305 0.930 502 HB3 ALA 69 HB3 ALA 69 -4.276 6.181 1.805 Start of MODEL 12 1 H1 MET 1 H1 MET 1 2.725 -0.773 -0.400 2 H2 MET 1 H2 MET 1 2.818 -1.842 -1.714 3 H3 MET 1 H3 MET 1 1.374 -1.691 -0.847 4 HA MET 1 HA MET 1 1.571 0.793 -1.525 5 HB2 MET 1 HB2 MET 1 2.622 1.147 -3.636 6 HB3 MET 1 HB3 MET 1 3.800 0.330 -2.621 7 HG2 MET 1 HG2 MET 1 3.576 -1.685 -3.785 8 HG3 MET 1 HG3 MET 1 2.058 -1.189 -4.528 9 HE1 MET 1 HE1 MET 1 2.977 -2.321 -6.357 10 HE2 MET 1 HE2 MET 1 3.191 -1.206 -7.708 11 HE3 MET 1 HE3 MET 1 4.578 -2.075 -7.053 12 H THR 2 HN THR 2 0.348 1.324 -3.676 13 HA THR 2 HA THR 2 -1.362 1.004 -5.122 14 HB THR 2 HB THR 2 -1.189 -1.970 -4.654 15 HG1 THR 2 HG1 THR 2 0.565 -0.226 -5.926 16 HG21 THR 2 HG21 THR 2 -2.918 -1.878 -6.092 17 HG22 THR 2 HG22 THR 2 -1.693 -1.523 -7.312 18 HG23 THR 2 HG23 THR 2 -2.578 -0.207 -6.537 19 H HIS 3 HN HIS 3 -2.720 2.064 -3.595 20 HA HIS 3 HA HIS 3 -4.764 0.239 -2.514 21 HB2 HIS 3 HB2 HIS 3 -4.070 3.032 -1.603 22 HB3 HIS 3 HB3 HIS 3 -5.453 2.129 -1.038 23 HD1 HIS 3 HD1 HIS 3 -4.087 2.769 1.296 24 HD2 HIS 3 HD2 HIS 3 -2.541 -0.255 -1.114 25 HE1 HIS 3 HE1 HIS 3 -2.526 1.452 2.768 26 HE2 HIS 3 HE2 HIS 3 -1.441 -0.222 1.226 27 H LEU 4 HN LEU 4 -6.805 0.528 -3.229 28 HA LEU 4 HA LEU 4 -7.169 2.575 -5.313 29 HB2 LEU 4 HB2 LEU 4 -7.582 -0.243 -5.351 30 HB3 LEU 4 HB3 LEU 4 -9.138 0.536 -5.531 31 HG LEU 4 HG LEU 4 -7.939 1.935 -7.373 32 HD11 LEU 4 HD11 LEU 4 -6.312 -0.385 -8.020 33 HD12 LEU 4 HD12 LEU 4 -5.905 1.331 -8.059 34 HD13 LEU 4 HD13 LEU 4 -5.784 0.429 -6.547 35 HD21 LEU 4 HD21 LEU 4 -9.762 0.341 -7.746 36 HD22 LEU 4 HD22 LEU 4 -8.559 0.273 -9.035 37 HD23 LEU 4 HD23 LEU 4 -8.591 -0.978 -7.793 38 H LYS 5 HN LYS 5 -9.131 3.663 -5.423 39 HA LYS 5 HA LYS 5 -10.689 3.582 -2.923 40 HB2 LYS 5 HB2 LYS 5 -9.598 5.703 -3.157 41 HB3 LYS 5 HB3 LYS 5 -10.128 5.857 -4.825 42 HG2 LYS 5 HG2 LYS 5 -11.708 7.181 -3.935 43 HG3 LYS 5 HG3 LYS 5 -12.515 5.654 -3.578 44 HD2 LYS 5 HD2 LYS 5 -12.576 6.835 -1.556 45 HD3 LYS 5 HD3 LYS 5 -11.236 5.702 -1.366 46 HE2 LYS 5 HE2 LYS 5 -10.603 7.888 -0.538 47 HE3 LYS 5 HE3 LYS 5 -9.663 7.485 -1.973 48 HZ1 LYS 5 HZ1 LYS 5 -12.016 8.867 -2.722 49 HZ2 LYS 5 HZ2 LYS 5 -10.396 9.305 -2.970 50 HZ3 LYS 5 HZ3 LYS 5 -11.186 9.760 -1.542 51 H ILE 6 HN ILE 6 -12.829 3.211 -3.003 52 HA ILE 6 HA ILE 6 -13.953 2.434 -5.565 53 HB ILE 6 HB ILE 6 -14.613 1.961 -2.717 54 HG12 ILE 6 HG12 ILE 6 -15.266 -0.268 -3.677 55 HG13 ILE 6 HG13 ILE 6 -14.829 0.350 -5.266 56 HG21 ILE 6 HG21 ILE 6 -16.666 3.100 -3.480 57 HG22 ILE 6 HG22 ILE 6 -16.817 1.913 -4.776 58 HG23 ILE 6 HG23 ILE 6 -16.937 1.399 -3.093 59 HD11 ILE 6 HD11 ILE 6 -12.576 0.878 -3.856 60 HD12 ILE 6 HD12 ILE 6 -13.138 -0.600 -3.078 61 HD13 ILE 6 HD13 ILE 6 -12.846 -0.575 -4.817 62 H THR 7 HN THR 7 -15.277 3.673 -6.773 63 HA THR 7 HA THR 7 -16.630 5.930 -5.462 64 HB THR 7 HB THR 7 -15.984 6.638 -8.167 65 HG1 THR 7 HG1 THR 7 -13.980 5.363 -6.767 66 HG21 THR 7 HG21 THR 7 -14.923 8.575 -7.043 67 HG22 THR 7 HG22 THR 7 -15.135 7.761 -5.495 68 HG23 THR 7 HG23 THR 7 -16.545 8.245 -6.437 69 H GLY 8 HN GLY 8 -18.643 6.497 -6.337 70 HA2 GLY 8 HA1 GLY 8 -20.417 6.422 -7.856 71 HA3 GLY 8 HA2 GLY 8 -19.574 5.172 -8.757 72 H MET 9 HN MET 9 -19.106 3.457 -6.510 73 HA MET 9 HA MET 9 -21.665 2.132 -6.510 74 HB2 MET 9 HB2 MET 9 -19.245 1.180 -5.014 75 HB3 MET 9 HB3 MET 9 -20.558 0.244 -5.701 76 HG2 MET 9 HG2 MET 9 -19.795 0.593 -7.890 77 HG3 MET 9 HG3 MET 9 -18.637 1.816 -7.371 78 HE1 MET 9 HE1 MET 9 -16.166 1.255 -6.534 79 HE2 MET 9 HE2 MET 9 -15.547 -0.139 -7.424 80 HE3 MET 9 HE3 MET 9 -16.537 1.065 -8.249 81 H THR 10 HN THR 10 -22.507 1.168 -4.452 82 HA THR 10 HA THR 10 -22.669 3.315 -2.479 83 HB THR 10 HB THR 10 -24.445 1.052 -2.051 84 HG1 THR 10 HG1 THR 10 -24.556 2.407 -4.571 85 HG21 THR 10 HG21 THR 10 -24.804 3.284 -1.120 86 HG22 THR 10 HG22 THR 10 -26.148 2.816 -2.163 87 HG23 THR 10 HG23 THR 10 -24.931 3.952 -2.746 88 H CYS 11 HN CYS 11 -20.463 1.299 -2.673 89 HA CYS 11 HA CYS 11 -19.279 -0.272 -1.571 90 HB2 CYS 11 HB2 CYS 11 -18.626 0.299 0.553 91 HB3 CYS 11 HB3 CYS 11 -19.248 1.811 -0.079 92 HG CYS 11 HG CYS 11 -21.855 0.758 1.235 93 H ASP 12 HN ASP 12 -19.215 -2.177 -0.301 94 HA ASP 12 HA ASP 12 -19.973 -4.255 0.165 95 HB2 ASP 12 HB2 ASP 12 -21.255 -2.922 1.967 96 HB3 ASP 12 HB3 ASP 12 -22.664 -3.149 0.931 97 H SER 13 HN SER 13 -20.918 -5.936 -0.933 98 HA SER 13 HA SER 13 -21.738 -7.017 -2.750 99 HB2 SER 13 HB2 SER 13 -23.659 -4.768 -3.306 100 HB3 SER 13 HB3 SER 13 -23.879 -6.504 -3.543 101 HG SER 13 HG SER 13 -24.550 -5.030 -1.432 102 H CYS 14 HN CYS 14 -21.796 -3.542 -3.529 103 HA CYS 14 HA CYS 14 -20.798 -3.691 -6.132 104 HB2 CYS 14 HB2 CYS 14 -20.356 -1.562 -4.025 105 HB3 CYS 14 HB3 CYS 14 -20.119 -1.327 -5.753 106 HG CYS 14 HG CYS 14 -23.008 -2.172 -6.031 107 H ALA 15 HN ALA 15 -19.168 -3.374 -3.027 108 HA ALA 15 HA ALA 15 -16.525 -3.376 -4.078 109 HB1 ALA 15 HB1 ALA 15 -17.777 -3.310 -1.444 110 HB2 ALA 15 HB2 ALA 15 -16.268 -4.221 -1.479 111 HB3 ALA 15 HB3 ALA 15 -16.296 -2.541 -2.014 112 H ALA 16 HN ALA 16 -18.830 -5.828 -3.325 113 HA ALA 16 HA ALA 16 -16.958 -7.979 -3.013 114 HB1 ALA 16 HB1 ALA 16 -19.633 -7.668 -2.474 115 HB2 ALA 16 HB2 ALA 16 -19.644 -8.732 -3.880 116 HB3 ALA 16 HB3 ALA 16 -18.751 -9.193 -2.431 117 H HIS 17 HN HIS 17 -18.971 -6.708 -5.622 118 HA HIS 17 HA HIS 17 -18.304 -8.541 -7.627 119 HB2 HIS 17 HB2 HIS 17 -19.937 -6.404 -7.518 120 HB3 HIS 17 HB3 HIS 17 -18.585 -5.677 -8.377 121 HD1 HIS 17 HD1 HIS 17 -20.958 -5.704 -10.034 122 HD2 HIS 17 HD2 HIS 17 -18.548 -9.083 -9.728 123 HE1 HIS 17 HE1 HIS 17 -21.474 -7.099 -12.068 124 HE2 HIS 17 HE2 HIS 17 -20.062 -9.173 -11.827 125 H VAL 18 HN VAL 18 -16.818 -5.432 -6.787 126 HA VAL 18 HA VAL 18 -14.701 -5.508 -8.613 127 HB VAL 18 HB VAL 18 -14.805 -4.213 -5.878 128 HG11 VAL 18 HG11 VAL 18 -12.502 -4.486 -6.726 129 HG12 VAL 18 HG12 VAL 18 -12.959 -3.606 -8.185 130 HG13 VAL 18 HG13 VAL 18 -12.996 -2.795 -6.619 131 HG21 VAL 18 HG21 VAL 18 -15.758 -2.368 -6.834 132 HG22 VAL 18 HG22 VAL 18 -15.091 -2.711 -8.431 133 HG23 VAL 18 HG23 VAL 18 -16.472 -3.631 -7.835 134 H LYS 19 HN LYS 19 -14.912 -6.666 -5.265 135 HA LYS 19 HA LYS 19 -12.256 -7.488 -4.980 136 HB2 LYS 19 HB2 LYS 19 -14.012 -7.285 -3.169 137 HB3 LYS 19 HB3 LYS 19 -14.641 -8.834 -3.715 138 HG2 LYS 19 HG2 LYS 19 -12.050 -9.474 -3.380 139 HG3 LYS 19 HG3 LYS 19 -12.229 -8.214 -2.157 140 HD2 LYS 19 HD2 LYS 19 -14.251 -9.429 -1.321 141 HD3 LYS 19 HD3 LYS 19 -13.844 -10.742 -2.428 142 HE2 LYS 19 HE2 LYS 19 -11.501 -10.086 -0.987 143 HE3 LYS 19 HE3 LYS 19 -12.821 -10.211 0.178 144 HZ1 LYS 19 HZ1 LYS 19 -11.677 -12.335 -0.224 145 HZ2 LYS 19 HZ2 LYS 19 -12.161 -12.283 -1.853 146 HZ3 LYS 19 HZ3 LYS 19 -13.326 -12.401 -0.621 147 H GLU 20 HN GLU 20 -15.101 -9.271 -6.100 148 HA GLU 20 HA GLU 20 -13.792 -11.733 -6.477 149 HB2 GLU 20 HB2 GLU 20 -16.339 -11.113 -6.444 150 HB3 GLU 20 HB3 GLU 20 -16.114 -10.896 -8.174 151 HG2 GLU 20 HG2 GLU 20 -14.952 -13.333 -7.727 152 HG3 GLU 20 HG3 GLU 20 -16.306 -13.336 -6.599 153 H ALA 21 HN ALA 21 -14.364 -8.994 -8.616 154 HA ALA 21 HA ALA 21 -13.344 -10.200 -10.962 155 HB1 ALA 21 HB1 ALA 21 -13.576 -8.139 -11.960 156 HB2 ALA 21 HB2 ALA 21 -14.706 -7.992 -10.613 157 HB3 ALA 21 HB3 ALA 21 -13.104 -7.261 -10.504 158 H LEU 22 HN LEU 22 -11.898 -8.416 -8.324 159 HA LEU 22 HA LEU 22 -9.297 -8.197 -9.439 160 HB2 LEU 22 HB2 LEU 22 -10.477 -7.891 -6.721 161 HB3 LEU 22 HB3 LEU 22 -8.739 -8.064 -6.854 162 HG LEU 22 HG LEU 22 -10.264 -5.967 -8.382 163 HD11 LEU 22 HD11 LEU 22 -8.939 -4.677 -6.338 164 HD12 LEU 22 HD12 LEU 22 -10.676 -4.964 -6.434 165 HD13 LEU 22 HD13 LEU 22 -9.646 -6.085 -5.544 166 HD21 LEU 22 HD21 LEU 22 -8.164 -6.174 -9.341 167 HD22 LEU 22 HD22 LEU 22 -7.909 -4.903 -8.146 168 HD23 LEU 22 HD23 LEU 22 -7.385 -6.552 -7.806 169 H GLU 23 HN GLU 23 -10.789 -10.490 -7.192 170 HA GLU 23 HA GLU 23 -8.410 -12.005 -6.805 171 HB2 GLU 23 HB2 GLU 23 -11.305 -12.413 -6.139 172 HB3 GLU 23 HB3 GLU 23 -10.162 -13.735 -5.940 173 HG2 GLU 23 HG2 GLU 23 -8.778 -12.171 -4.535 174 HG3 GLU 23 HG3 GLU 23 -10.150 -11.066 -4.572 175 H LYS 24 HN LYS 24 -10.807 -11.951 -9.258 176 HA LYS 24 HA LYS 24 -10.307 -14.598 -10.243 177 HB2 LYS 24 HB2 LYS 24 -11.956 -12.301 -11.014 178 HB3 LYS 24 HB3 LYS 24 -11.314 -13.202 -12.382 179 HG2 LYS 24 HG2 LYS 24 -12.258 -15.265 -11.462 180 HG3 LYS 24 HG3 LYS 24 -12.927 -14.346 -10.111 181 HD2 LYS 24 HD2 LYS 24 -14.414 -13.176 -11.518 182 HD3 LYS 24 HD3 LYS 24 -13.562 -13.689 -12.976 183 HE2 LYS 24 HE2 LYS 24 -14.640 -15.658 -13.058 184 HE3 LYS 24 HE3 LYS 24 -14.546 -15.888 -11.314 185 HZ1 LYS 24 HZ1 LYS 24 -16.429 -13.956 -12.530 186 HZ2 LYS 24 HZ2 LYS 24 -16.460 -14.620 -10.969 187 HZ3 LYS 24 HZ3 LYS 24 -16.834 -15.588 -12.316 188 H VAL 25 HN VAL 25 -8.580 -11.709 -10.314 189 HA VAL 25 HA VAL 25 -7.210 -12.249 -12.814 190 HB VAL 25 HB VAL 25 -7.215 -10.032 -10.828 191 HG11 VAL 25 HG11 VAL 25 -4.960 -9.990 -10.719 192 HG12 VAL 25 HG12 VAL 25 -4.764 -10.959 -12.180 193 HG13 VAL 25 HG13 VAL 25 -5.108 -9.233 -12.306 194 HG21 VAL 25 HG21 VAL 25 -7.135 -10.194 -13.835 195 HG22 VAL 25 HG22 VAL 25 -8.537 -9.843 -12.825 196 HG23 VAL 25 HG23 VAL 25 -7.203 -8.693 -12.913 197 HA PRO 26 HA PRO 26 -4.430 -15.114 -10.876 198 HB2 PRO 26 HB2 PRO 26 -2.763 -14.643 -13.266 199 HB3 PRO 26 HB3 PRO 26 -3.483 -16.143 -12.674 200 HG2 PRO 26 HG2 PRO 26 -4.439 -14.913 -14.849 201 HG3 PRO 26 HG3 PRO 26 -5.519 -15.725 -13.697 202 HD2 PRO 26 HD2 PRO 26 -4.924 -12.804 -14.006 203 HD3 PRO 26 HD3 PRO 26 -6.478 -13.613 -13.714 204 H GLY 27 HN GLY 27 -3.539 -11.941 -11.937 205 HA2 GLY 27 HA1 GLY 27 -0.856 -12.048 -10.882 206 HA3 GLY 27 HA2 GLY 27 -1.667 -10.630 -11.527 207 H VAL 28 HN VAL 28 -3.853 -11.795 -9.437 208 HA VAL 28 HA VAL 28 -3.052 -9.890 -7.405 209 HB VAL 28 HB VAL 28 -5.527 -10.644 -8.405 210 HG11 VAL 28 HG11 VAL 28 -5.269 -11.736 -5.610 211 HG12 VAL 28 HG12 VAL 28 -6.794 -11.447 -6.444 212 HG13 VAL 28 HG13 VAL 28 -5.660 -12.642 -7.072 213 HG21 VAL 28 HG21 VAL 28 -5.075 -8.475 -7.559 214 HG22 VAL 28 HG22 VAL 28 -6.402 -9.137 -6.606 215 HG23 VAL 28 HG23 VAL 28 -4.771 -9.100 -5.938 216 H GLN 29 HN GLN 29 -2.369 -10.352 -5.401 217 HA GLN 29 HA GLN 29 -1.937 -13.175 -4.740 218 HB2 GLN 29 HB2 GLN 29 -0.561 -10.650 -4.113 219 HB3 GLN 29 HB3 GLN 29 -0.726 -11.736 -2.741 220 HG2 GLN 29 HG2 GLN 29 1.395 -11.977 -4.022 221 HG3 GLN 29 HG3 GLN 29 0.461 -13.462 -3.848 222 HE21 GLN 29 HE21 GLN 29 0.856 -10.735 -6.079 223 HE22 GLN 29 HE22 GLN 29 0.708 -11.673 -7.519 224 H SER 30 HN SER 30 -3.248 -10.173 -3.420 225 HA SER 30 HA SER 30 -5.354 -11.626 -2.088 226 HB2 SER 30 HB2 SER 30 -3.424 -9.939 -0.465 227 HB3 SER 30 HB3 SER 30 -4.911 -10.667 0.142 228 HG SER 30 HG SER 30 -3.478 -12.578 -1.030 229 H ALA 31 HN ALA 31 -7.185 -10.435 -2.141 230 HA ALA 31 HA ALA 31 -6.901 -7.558 -2.759 231 HB1 ALA 31 HB1 ALA 31 -8.569 -9.676 -3.947 232 HB2 ALA 31 HB2 ALA 31 -9.378 -8.133 -3.666 233 HB3 ALA 31 HB3 ALA 31 -7.924 -8.200 -4.662 234 H LEU 32 HN LEU 32 -7.042 -6.814 -0.637 235 HA LEU 32 HA LEU 32 -9.303 -7.694 0.977 236 HB2 LEU 32 HB2 LEU 32 -7.133 -5.742 1.731 237 HB3 LEU 32 HB3 LEU 32 -8.257 -6.544 2.812 238 HG LEU 32 HG LEU 32 -6.558 -8.350 1.214 239 HD11 LEU 32 HD11 LEU 32 -5.227 -6.200 2.134 240 HD12 LEU 32 HD12 LEU 32 -5.182 -7.229 3.567 241 HD13 LEU 32 HD13 LEU 32 -4.527 -7.817 2.039 242 HD21 LEU 32 HD21 LEU 32 -7.294 -8.187 4.135 243 HD22 LEU 32 HD22 LEU 32 -8.089 -9.180 2.912 244 HD23 LEU 32 HD23 LEU 32 -6.417 -9.512 3.369 245 H VAL 33 HN VAL 33 -10.547 -6.604 -0.860 246 HA VAL 33 HA VAL 33 -10.792 -3.767 -0.842 247 HB VAL 33 HB VAL 33 -12.972 -5.685 -1.640 248 HG11 VAL 33 HG11 VAL 33 -13.296 -3.804 -3.375 249 HG12 VAL 33 HG12 VAL 33 -13.828 -3.527 -1.717 250 HG13 VAL 33 HG13 VAL 33 -12.307 -2.839 -2.282 251 HG21 VAL 33 HG21 VAL 33 -11.090 -4.691 -3.696 252 HG22 VAL 33 HG22 VAL 33 -10.507 -5.972 -2.633 253 HG23 VAL 33 HG23 VAL 33 -11.961 -6.223 -3.600 254 H SER 34 HN SER 34 -11.513 -2.628 0.795 255 HA SER 34 HA SER 34 -13.250 -3.941 2.760 256 HB2 SER 34 HB2 SER 34 -11.579 -1.466 3.200 257 HB3 SER 34 HB3 SER 34 -12.323 -2.503 4.418 258 HG SER 34 HG SER 34 -10.482 -3.619 2.609 259 H TYR 35 HN TYR 35 -15.283 -3.519 2.269 260 HA TYR 35 HA TYR 35 -16.178 -1.229 0.965 261 HB2 TYR 35 HB2 TYR 35 -18.299 -2.120 1.101 262 HB3 TYR 35 HB3 TYR 35 -17.260 -3.520 1.085 263 HD1 TYR 35 HD1 TYR 35 -19.451 -1.431 3.189 264 HD2 TYR 35 HD2 TYR 35 -17.256 -5.067 2.913 265 HE1 TYR 35 HE1 TYR 35 -20.571 -2.254 5.214 266 HE2 TYR 35 HE2 TYR 35 -18.379 -5.904 4.935 267 HH TYR 35 HH TYR 35 -19.728 -4.231 7.109 268 HA PRO 36 HA PRO 36 -17.572 0.511 5.238 269 HB2 PRO 36 HB2 PRO 36 -16.122 -0.149 7.419 270 HB3 PRO 36 HB3 PRO 36 -17.541 -1.073 6.910 271 HG2 PRO 36 HG2 PRO 36 -14.639 -1.655 6.452 272 HG3 PRO 36 HG3 PRO 36 -15.934 -2.760 6.949 273 HD2 PRO 36 HD2 PRO 36 -15.039 -2.605 4.395 274 HD3 PRO 36 HD3 PRO 36 -16.720 -3.004 4.801 275 H LYS 37 HN LYS 37 -14.408 -0.009 4.100 276 HA LYS 37 HA LYS 37 -13.369 2.430 5.329 277 HB2 LYS 37 HB2 LYS 37 -12.182 0.006 4.806 278 HB3 LYS 37 HB3 LYS 37 -11.651 0.976 3.440 279 HG2 LYS 37 HG2 LYS 37 -10.797 2.670 5.024 280 HG3 LYS 37 HG3 LYS 37 -11.241 1.599 6.357 281 HD2 LYS 37 HD2 LYS 37 -9.804 -0.091 4.804 282 HD3 LYS 37 HD3 LYS 37 -8.995 1.438 4.458 283 HE2 LYS 37 HE2 LYS 37 -9.379 1.419 7.223 284 HE3 LYS 37 HE3 LYS 37 -8.873 -0.220 6.815 285 HZ1 LYS 37 HZ1 LYS 37 -6.799 0.487 6.558 286 HZ2 LYS 37 HZ2 LYS 37 -7.273 2.034 7.062 287 HZ3 LYS 37 HZ3 LYS 37 -7.284 1.645 5.415 288 H GLY 38 HN GLY 38 -14.412 1.070 2.302 289 HA2 GLY 38 HA1 GLY 38 -15.071 2.204 0.380 290 HA3 GLY 38 HA2 GLY 38 -14.416 3.689 1.062 291 H THR 39 HN THR 39 -12.333 1.011 1.244 292 HA THR 39 HA THR 39 -10.884 1.910 -1.148 293 HB THR 39 HB THR 39 -8.858 1.310 0.628 294 HG1 THR 39 HG1 THR 39 -9.708 1.575 2.549 295 HG21 THR 39 HG21 THR 39 -8.861 3.147 -0.986 296 HG22 THR 39 HG22 THR 39 -8.406 3.722 0.618 297 HG23 THR 39 HG23 THR 39 -10.030 4.026 0.000 298 H ALA 40 HN ALA 40 -9.498 0.407 -2.074 299 HA ALA 40 HA ALA 40 -9.967 -2.374 -1.234 300 HB1 ALA 40 HB1 ALA 40 -8.801 -2.032 -3.879 301 HB2 ALA 40 HB2 ALA 40 -10.227 -2.942 -3.378 302 HB3 ALA 40 HB3 ALA 40 -10.354 -1.214 -3.709 303 H GLN 41 HN GLN 41 -8.322 -3.234 -0.163 304 HA GLN 41 HA GLN 41 -5.616 -2.229 -0.651 305 HB2 GLN 41 HB2 GLN 41 -7.039 -3.106 1.684 306 HB3 GLN 41 HB3 GLN 41 -5.633 -4.133 1.450 307 HG2 GLN 41 HG2 GLN 41 -4.779 -2.464 2.766 308 HG3 GLN 41 HG3 GLN 41 -4.367 -1.887 1.153 309 HE21 GLN 41 HE21 GLN 41 -4.755 -0.448 3.680 310 HE22 GLN 41 HE22 GLN 41 -5.974 0.746 3.353 311 H LEU 42 HN LEU 42 -5.492 -3.333 -2.686 312 HA LEU 42 HA LEU 42 -5.370 -6.240 -2.446 313 HB2 LEU 42 HB2 LEU 42 -5.808 -6.450 -4.766 314 HB3 LEU 42 HB3 LEU 42 -6.988 -5.356 -4.096 315 HG LEU 42 HG LEU 42 -6.512 -4.421 -6.151 316 HD11 LEU 42 HD11 LEU 42 -4.467 -2.983 -4.491 317 HD12 LEU 42 HD12 LEU 42 -5.425 -2.349 -5.828 318 HD13 LEU 42 HD13 LEU 42 -6.207 -2.768 -4.306 319 HD21 LEU 42 HD21 LEU 42 -4.368 -4.283 -7.208 320 HD22 LEU 42 HD22 LEU 42 -3.569 -4.889 -5.757 321 HD23 LEU 42 HD23 LEU 42 -4.649 -5.940 -6.672 322 H ALA 43 HN ALA 43 -3.586 -7.326 -2.725 323 HA ALA 43 HA ALA 43 -1.149 -5.845 -3.437 324 HB1 ALA 43 HB1 ALA 43 -0.363 -6.816 -1.582 325 HB2 ALA 43 HB2 ALA 43 -1.764 -7.879 -1.463 326 HB3 ALA 43 HB3 ALA 43 -0.391 -8.338 -2.470 327 H ILE 44 HN ILE 44 -0.583 -6.078 -5.483 328 HA ILE 44 HA ILE 44 -1.288 -8.560 -6.887 329 HB ILE 44 HB ILE 44 -0.451 -6.976 -8.886 330 HG12 ILE 44 HG12 ILE 44 -1.929 -4.791 -7.975 331 HG13 ILE 44 HG13 ILE 44 -0.872 -5.194 -6.624 332 HG21 ILE 44 HG21 ILE 44 -3.160 -7.226 -7.625 333 HG22 ILE 44 HG22 ILE 44 -2.912 -6.341 -9.129 334 HG23 ILE 44 HG23 ILE 44 -2.514 -8.056 -9.042 335 HD11 ILE 44 HD11 ILE 44 0.544 -5.212 -9.147 336 HD12 ILE 44 HD12 ILE 44 -0.225 -3.657 -8.820 337 HD13 ILE 44 HD13 ILE 44 0.902 -4.348 -7.652 338 H VAL 45 HN VAL 45 0.299 -9.062 -8.724 339 HA VAL 45 HA VAL 45 2.900 -9.449 -7.539 340 HB VAL 45 HB VAL 45 1.391 -10.989 -9.169 341 HG11 VAL 45 HG11 VAL 45 1.589 -10.569 -11.330 342 HG12 VAL 45 HG12 VAL 45 2.573 -9.151 -10.962 343 HG13 VAL 45 HG13 VAL 45 3.343 -10.718 -11.214 344 HG21 VAL 45 HG21 VAL 45 4.260 -10.945 -8.473 345 HG22 VAL 45 HG22 VAL 45 3.022 -12.154 -8.131 346 HG23 VAL 45 HG23 VAL 45 3.757 -12.072 -9.733 347 HA PRO 46 HA PRO 46 4.989 -5.963 -9.352 348 HB2 PRO 46 HB2 PRO 46 7.394 -7.233 -9.921 349 HB3 PRO 46 HB3 PRO 46 6.970 -6.503 -8.371 350 HG2 PRO 46 HG2 PRO 46 6.842 -9.365 -9.217 351 HG3 PRO 46 HG3 PRO 46 7.325 -8.675 -7.656 352 HD2 PRO 46 HD2 PRO 46 4.922 -9.796 -7.996 353 HD3 PRO 46 HD3 PRO 46 5.129 -8.355 -6.977 354 H GLY 47 HN GLY 47 4.027 -5.540 -11.280 355 HA2 GLY 47 HA1 GLY 47 4.983 -5.701 -13.703 356 HA3 GLY 47 HA2 GLY 47 4.466 -7.375 -13.523 357 H THR 48 HN THR 48 2.146 -6.736 -11.908 358 HA THR 48 HA THR 48 0.296 -6.048 -13.990 359 HB THR 48 HB THR 48 -0.496 -6.097 -11.105 360 HG1 THR 48 HG1 THR 48 0.517 -8.249 -12.625 361 HG21 THR 48 HG21 THR 48 -1.767 -7.267 -13.586 362 HG22 THR 48 HG22 THR 48 -2.164 -5.695 -12.890 363 HG23 THR 48 HG23 THR 48 -2.493 -7.170 -11.980 364 H SER 49 HN SER 49 -0.369 -4.099 -14.542 365 HA SER 49 HA SER 49 0.710 -1.828 -13.210 366 HB2 SER 49 HB2 SER 49 -1.361 -1.173 -15.121 367 HB3 SER 49 HB3 SER 49 0.376 -0.861 -15.207 368 HG SER 49 HG SER 49 -0.947 -2.510 -16.695 369 HA PRO 50 HA PRO 50 -2.695 -1.324 -10.388 370 HB2 PRO 50 HB2 PRO 50 -2.051 1.217 -9.567 371 HB3 PRO 50 HB3 PRO 50 -1.308 -0.249 -8.918 372 HG2 PRO 50 HG2 PRO 50 -0.281 1.643 -10.989 373 HG3 PRO 50 HG3 PRO 50 0.599 0.818 -9.692 374 HD2 PRO 50 HD2 PRO 50 0.684 -0.014 -12.262 375 HD3 PRO 50 HD3 PRO 50 0.786 -1.142 -10.892 376 H ASP 51 HN ASP 51 -1.890 0.833 -12.979 377 HA ASP 51 HA ASP 51 -4.263 2.403 -12.925 378 HB2 ASP 51 HB2 ASP 51 -2.571 3.403 -14.158 379 HB3 ASP 51 HB3 ASP 51 -2.051 1.891 -14.877 380 H ALA 52 HN ALA 52 -3.412 -0.731 -13.945 381 HA ALA 52 HA ALA 52 -5.465 -1.027 -15.923 382 HB1 ALA 52 HB1 ALA 52 -3.531 -2.923 -14.642 383 HB2 ALA 52 HB2 ALA 52 -4.853 -3.525 -15.645 384 HB3 ALA 52 HB3 ALA 52 -3.653 -2.428 -16.332 385 H LEU 53 HN LEU 53 -5.102 -1.597 -12.524 386 HA LEU 53 HA LEU 53 -7.492 -3.112 -12.178 387 HB2 LEU 53 HB2 LEU 53 -6.258 -1.393 -10.050 388 HB3 LEU 53 HB3 LEU 53 -7.116 -2.910 -9.869 389 HG LEU 53 HG LEU 53 -4.489 -2.826 -11.311 390 HD11 LEU 53 HD11 LEU 53 -3.975 -3.672 -8.710 391 HD12 LEU 53 HD12 LEU 53 -3.428 -2.182 -9.478 392 HD13 LEU 53 HD13 LEU 53 -4.919 -2.192 -8.539 393 HD21 LEU 53 HD21 LEU 53 -6.354 -4.836 -10.370 394 HD22 LEU 53 HD22 LEU 53 -5.010 -4.982 -11.505 395 HD23 LEU 53 HD23 LEU 53 -4.717 -5.116 -9.770 396 H THR 54 HN THR 54 -6.610 0.291 -11.766 397 HA THR 54 HA THR 54 -9.079 1.312 -11.006 398 HB THR 54 HB THR 54 -7.555 2.974 -12.909 399 HG1 THR 54 HG1 THR 54 -6.284 2.397 -10.454 400 HG21 THR 54 HG21 THR 54 -8.990 3.230 -10.373 401 HG22 THR 54 HG22 THR 54 -8.763 4.406 -11.667 402 HG23 THR 54 HG23 THR 54 -7.508 4.184 -10.447 403 H ALA 55 HN ALA 55 -7.711 0.913 -14.254 404 HA ALA 55 HA ALA 55 -9.996 1.841 -15.641 405 HB1 ALA 55 HB1 ALA 55 -8.475 -0.049 -17.191 406 HB2 ALA 55 HB2 ALA 55 -8.639 1.694 -17.396 407 HB3 ALA 55 HB3 ALA 55 -7.404 1.046 -16.317 408 H ALA 56 HN ALA 56 -9.036 -1.321 -14.462 409 HA ALA 56 HA ALA 56 -10.991 -2.809 -15.850 410 HB1 ALA 56 HB1 ALA 56 -9.678 -4.373 -14.952 411 HB2 ALA 56 HB2 ALA 56 -9.118 -3.289 -13.677 412 HB3 ALA 56 HB3 ALA 56 -10.632 -4.170 -13.483 413 H VAL 57 HN VAL 57 -11.027 -1.279 -12.632 414 HA VAL 57 HA VAL 57 -13.686 -2.116 -12.049 415 HB VAL 57 HB VAL 57 -12.197 0.212 -10.856 416 HG11 VAL 57 HG11 VAL 57 -14.714 0.045 -10.526 417 HG12 VAL 57 HG12 VAL 57 -14.381 -1.406 -9.579 418 HG13 VAL 57 HG13 VAL 57 -13.724 0.150 -9.070 419 HG21 VAL 57 HG21 VAL 57 -11.300 -1.213 -9.236 420 HG22 VAL 57 HG22 VAL 57 -12.404 -2.525 -9.651 421 HG23 VAL 57 HG23 VAL 57 -11.091 -2.097 -10.747 422 H ALA 58 HN ALA 58 -12.299 0.901 -13.331 423 HA ALA 58 HA ALA 58 -14.738 2.305 -13.493 424 HB1 ALA 58 HB1 ALA 58 -12.570 3.419 -13.577 425 HB2 ALA 58 HB2 ALA 58 -12.241 2.671 -15.139 426 HB3 ALA 58 HB3 ALA 58 -13.555 3.836 -14.980 427 H GLY 59 HN GLY 59 -13.223 -0.019 -15.596 428 HA2 GLY 59 HA1 GLY 59 -15.058 0.510 -17.786 429 HA3 GLY 59 HA2 GLY 59 -13.800 -0.717 -17.744 430 H LEU 60 HN LEU 60 -15.354 -1.087 -14.910 431 HA LEU 60 HA LEU 60 -16.982 -3.258 -15.990 432 HB2 LEU 60 HB2 LEU 60 -15.467 -2.809 -13.555 433 HB3 LEU 60 HB3 LEU 60 -17.061 -3.465 -13.241 434 HG LEU 60 HG LEU 60 -14.985 -4.704 -15.054 435 HD11 LEU 60 HD11 LEU 60 -14.134 -5.113 -12.964 436 HD12 LEU 60 HD12 LEU 60 -15.723 -5.124 -12.196 437 HD13 LEU 60 HD13 LEU 60 -15.203 -6.500 -13.169 438 HD21 LEU 60 HD21 LEU 60 -16.482 -6.619 -15.127 439 HD22 LEU 60 HD22 LEU 60 -17.658 -5.758 -14.134 440 HD23 LEU 60 HD23 LEU 60 -17.283 -5.181 -15.758 441 H GLY 61 HN GLY 61 -17.599 -0.259 -15.712 442 HA2 GLY 61 HA1 GLY 61 -19.733 0.719 -15.747 443 HA3 GLY 61 HA2 GLY 61 -20.371 -0.696 -14.918 444 H TYR 62 HN TYR 62 -17.688 0.018 -13.277 445 HA TYR 62 HA TYR 62 -19.111 1.742 -11.376 446 HB2 TYR 62 HB2 TYR 62 -16.770 -0.122 -10.895 447 HB3 TYR 62 HB3 TYR 62 -17.606 0.824 -9.672 448 HD1 TYR 62 HD2 TYR 62 -20.407 0.403 -10.219 449 HD2 TYR 62 HD1 TYR 62 -17.186 -2.366 -10.490 450 HE1 TYR 62 HE2 TYR 62 -21.980 -1.453 -9.857 451 HE2 TYR 62 HE1 TYR 62 -18.750 -4.229 -10.132 452 HH TYR 62 HH TYR 62 -20.852 -4.833 -9.814 453 H LYS 63 HN LYS 63 -17.055 2.744 -9.906 454 HA LYS 63 HA LYS 63 -15.200 3.922 -11.850 455 HB2 LYS 63 HB2 LYS 63 -17.266 5.358 -10.874 456 HB3 LYS 63 HB3 LYS 63 -16.081 5.647 -9.609 457 HG2 LYS 63 HG2 LYS 63 -14.862 5.969 -12.181 458 HG3 LYS 63 HG3 LYS 63 -16.321 6.957 -12.070 459 HD2 LYS 63 HD2 LYS 63 -15.282 8.415 -10.750 460 HD3 LYS 63 HD3 LYS 63 -14.833 7.132 -9.626 461 HE2 LYS 63 HE2 LYS 63 -12.733 7.628 -10.216 462 HE3 LYS 63 HE3 LYS 63 -13.089 6.701 -11.670 463 HZ1 LYS 63 HZ1 LYS 63 -13.350 8.592 -12.924 464 HZ2 LYS 63 HZ2 LYS 63 -12.125 9.083 -11.857 465 HZ3 LYS 63 HZ3 LYS 63 -13.730 9.570 -11.591 466 H ALA 64 HN ALA 64 -13.144 3.770 -11.235 467 HA ALA 64 HA ALA 64 -12.620 3.298 -8.376 468 HB1 ALA 64 HB1 ALA 64 -10.526 2.488 -10.260 469 HB2 ALA 64 HB2 ALA 64 -11.187 1.639 -8.863 470 HB3 ALA 64 HB3 ALA 64 -12.036 1.590 -10.407 471 H THR 65 HN THR 65 -11.150 4.518 -7.358 472 HA THR 65 HA THR 65 -9.515 6.363 -8.978 473 HB THR 65 HB THR 65 -9.566 7.241 -6.278 474 HG1 THR 65 HG1 THR 65 -12.175 6.769 -7.352 475 HG21 THR 65 HG21 THR 65 -9.575 9.145 -7.429 476 HG22 THR 65 HG22 THR 65 -11.256 8.861 -7.879 477 HG23 THR 65 HG23 THR 65 -9.954 8.263 -8.907 478 H LEU 66 HN LEU 66 -7.741 7.068 -6.836 479 HA LEU 66 HA LEU 66 -6.666 4.570 -5.860 480 HB2 LEU 66 HB2 LEU 66 -4.456 4.911 -6.921 481 HB3 LEU 66 HB3 LEU 66 -5.732 4.523 -8.058 482 HG LEU 66 HG LEU 66 -5.545 7.365 -7.872 483 HD11 LEU 66 HD11 LEU 66 -3.020 6.729 -9.043 484 HD12 LEU 66 HD12 LEU 66 -3.386 7.841 -7.722 485 HD13 LEU 66 HD13 LEU 66 -3.057 6.142 -7.380 486 HD21 LEU 66 HD21 LEU 66 -5.092 7.169 -10.262 487 HD22 LEU 66 HD22 LEU 66 -4.785 5.444 -10.071 488 HD23 LEU 66 HD23 LEU 66 -6.400 6.089 -9.776 489 H ALA 67 HN ALA 67 -5.674 4.802 -4.030 490 HA ALA 67 HA ALA 67 -4.491 7.402 -3.317 491 HB1 ALA 67 HB1 ALA 67 -6.747 6.968 -2.208 492 HB2 ALA 67 HB2 ALA 67 -5.939 5.679 -1.315 493 HB3 ALA 67 HB3 ALA 67 -5.400 7.349 -1.138 494 H ASP 68 HN ASP 68 -2.629 6.168 -4.188 495 HA ASP 68 HA ASP 68 -1.807 3.708 -3.142 496 HB2 ASP 68 HB2 ASP 68 -0.995 4.409 -5.294 497 HB3 ASP 68 HB3 ASP 68 -0.252 5.847 -4.597 498 H ALA 69 HN ALA 69 -0.744 3.159 -1.375 499 HA ALA 69 HA ALA 69 0.784 5.185 0.080 500 HB1 ALA 69 HB1 ALA 69 -0.173 3.824 2.169 501 HB2 ALA 69 HB2 ALA 69 -0.981 5.250 1.518 502 HB3 ALA 69 HB3 ALA 69 -1.543 3.637 1.076 Start of MODEL 13 1 H1 MET 1 H1 MET 1 -0.347 -1.936 0.621 2 H2 MET 1 H2 MET 1 0.482 -3.378 0.294 3 H3 MET 1 H3 MET 1 -1.167 -3.245 -0.083 4 HA MET 1 HA MET 1 0.709 -1.341 -1.272 5 HB2 MET 1 HB2 MET 1 1.742 -3.568 -1.583 6 HB3 MET 1 HB3 MET 1 0.249 -4.154 -2.298 7 HG2 MET 1 HG2 MET 1 2.081 -3.546 -3.905 8 HG3 MET 1 HG3 MET 1 0.510 -2.803 -4.208 9 HE1 MET 1 HE1 MET 1 4.073 -0.838 -4.836 10 HE2 MET 1 HE2 MET 1 3.196 -2.285 -5.338 11 HE3 MET 1 HE3 MET 1 2.593 -0.690 -5.789 12 H THR 2 HN THR 2 -0.214 -0.282 -2.982 13 HA THR 2 HA THR 2 -1.805 0.552 -4.351 14 HB THR 2 HB THR 2 -2.579 -2.346 -4.717 15 HG1 THR 2 HG1 THR 2 -0.517 -0.774 -5.910 16 HG21 THR 2 HG21 THR 2 -3.834 -0.196 -5.756 17 HG22 THR 2 HG22 THR 2 -3.681 -1.733 -6.608 18 HG23 THR 2 HG23 THR 2 -2.562 -0.415 -6.959 19 H HIS 3 HN HIS 3 -3.068 1.696 -2.870 20 HA HIS 3 HA HIS 3 -5.572 0.386 -2.057 21 HB2 HIS 3 HB2 HIS 3 -5.104 3.212 -1.319 22 HB3 HIS 3 HB3 HIS 3 -5.808 1.910 -0.380 23 HD1 HIS 3 HD1 HIS 3 -2.867 3.950 -0.603 24 HD2 HIS 3 HD2 HIS 3 -3.696 0.072 0.644 25 HE1 HIS 3 HE1 HIS 3 -0.911 3.263 0.819 26 HE2 HIS 3 HE2 HIS 3 -1.579 1.031 1.784 27 H LEU 4 HN LEU 4 -7.211 0.567 -3.388 28 HA LEU 4 HA LEU 4 -7.403 2.964 -5.090 29 HB2 LEU 4 HB2 LEU 4 -8.604 0.224 -5.530 30 HB3 LEU 4 HB3 LEU 4 -8.783 1.597 -6.600 31 HG LEU 4 HG LEU 4 -6.258 0.049 -6.041 32 HD11 LEU 4 HD11 LEU 4 -7.537 0.506 -8.706 33 HD12 LEU 4 HD12 LEU 4 -6.429 -0.771 -8.199 34 HD13 LEU 4 HD13 LEU 4 -8.103 -0.784 -7.644 35 HD21 LEU 4 HD21 LEU 4 -6.492 2.775 -6.708 36 HD22 LEU 4 HD22 LEU 4 -5.038 1.775 -6.704 37 HD23 LEU 4 HD23 LEU 4 -5.999 1.930 -8.177 38 H LYS 5 HN LYS 5 -9.227 4.202 -4.957 39 HA LYS 5 HA LYS 5 -11.136 3.459 -2.874 40 HB2 LYS 5 HB2 LYS 5 -11.692 6.022 -4.073 41 HB3 LYS 5 HB3 LYS 5 -11.276 5.637 -2.411 42 HG2 LYS 5 HG2 LYS 5 -9.085 6.169 -2.688 43 HG3 LYS 5 HG3 LYS 5 -9.066 5.700 -4.389 44 HD2 LYS 5 HD2 LYS 5 -9.004 7.943 -4.701 45 HD3 LYS 5 HD3 LYS 5 -10.751 7.784 -4.514 46 HE2 LYS 5 HE2 LYS 5 -10.599 9.264 -2.858 47 HE3 LYS 5 HE3 LYS 5 -9.811 7.999 -1.916 48 HZ1 LYS 5 HZ1 LYS 5 -7.949 9.253 -3.646 49 HZ2 LYS 5 HZ2 LYS 5 -7.923 9.132 -1.954 50 HZ3 LYS 5 HZ3 LYS 5 -8.732 10.419 -2.700 51 H ILE 6 HN ILE 6 -13.085 2.693 -3.346 52 HA ILE 6 HA ILE 6 -13.867 2.477 -6.129 53 HB ILE 6 HB ILE 6 -15.415 1.533 -3.725 54 HG12 ILE 6 HG12 ILE 6 -13.113 0.641 -3.619 55 HG13 ILE 6 HG13 ILE 6 -14.296 -0.624 -3.928 56 HG21 ILE 6 HG21 ILE 6 -16.297 1.633 -6.209 57 HG22 ILE 6 HG22 ILE 6 -15.373 0.137 -6.352 58 HG23 ILE 6 HG23 ILE 6 -16.666 0.263 -5.161 59 HD11 ILE 6 HD11 ILE 6 -13.314 -1.191 -5.838 60 HD12 ILE 6 HD12 ILE 6 -13.232 0.485 -6.383 61 HD13 ILE 6 HD13 ILE 6 -11.969 -0.165 -5.337 62 H THR 7 HN THR 7 -15.422 3.646 -7.109 63 HA THR 7 HA THR 7 -16.809 5.648 -5.460 64 HB THR 7 HB THR 7 -16.470 6.572 -8.157 65 HG1 THR 7 HG1 THR 7 -14.427 5.114 -7.287 66 HG21 THR 7 HG21 THR 7 -14.962 7.746 -5.879 67 HG22 THR 7 HG22 THR 7 -16.722 7.724 -5.771 68 HG23 THR 7 HG23 THR 7 -15.932 8.538 -7.121 69 H GLY 8 HN GLY 8 -18.804 6.420 -6.228 70 HA2 GLY 8 HA1 GLY 8 -20.922 6.077 -7.101 71 HA3 GLY 8 HA2 GLY 8 -20.253 4.837 -8.164 72 H MET 9 HN MET 9 -19.489 2.852 -7.030 73 HA MET 9 HA MET 9 -21.575 1.972 -5.171 74 HB2 MET 9 HB2 MET 9 -19.438 0.272 -6.474 75 HB3 MET 9 HB3 MET 9 -20.918 -0.268 -5.698 76 HG2 MET 9 HG2 MET 9 -21.608 1.549 -7.749 77 HG3 MET 9 HG3 MET 9 -20.499 0.349 -8.409 78 HE1 MET 9 HE1 MET 9 -23.522 0.625 -9.488 79 HE2 MET 9 HE2 MET 9 -24.748 -0.205 -8.528 80 HE3 MET 9 HE3 MET 9 -23.986 1.259 -7.910 81 H THR 10 HN THR 10 -20.816 3.088 -3.323 82 HA THR 10 HA THR 10 -18.007 2.880 -2.651 83 HB THR 10 HB THR 10 -19.576 4.309 -0.711 84 HG1 THR 10 HG1 THR 10 -21.089 4.560 -2.383 85 HG21 THR 10 HG21 THR 10 -17.983 5.884 -2.582 86 HG22 THR 10 HG22 THR 10 -17.102 4.511 -1.914 87 HG23 THR 10 HG23 THR 10 -17.821 5.705 -0.834 88 H CYS 11 HN CYS 11 -20.215 0.644 -2.111 89 HA CYS 11 HA CYS 11 -19.156 -0.073 0.468 90 HB2 CYS 11 HB2 CYS 11 -21.478 -0.201 1.487 91 HB3 CYS 11 HB3 CYS 11 -20.727 1.382 1.378 92 HG CYS 11 HG CYS 11 -22.214 2.224 -0.810 93 H ASP 12 HN ASP 12 -19.324 -2.123 0.954 94 HA ASP 12 HA ASP 12 -19.622 -4.389 0.588 95 HB2 ASP 12 HB2 ASP 12 -21.045 -3.328 2.429 96 HB3 ASP 12 HB3 ASP 12 -22.412 -3.650 1.365 97 H SER 13 HN SER 13 -20.217 -6.107 -0.491 98 HA SER 13 HA SER 13 -21.008 -7.422 -2.152 99 HB2 SER 13 HB2 SER 13 -23.248 -5.417 -2.506 100 HB3 SER 13 HB3 SER 13 -23.238 -7.107 -3.013 101 HG SER 13 HG SER 13 -22.704 -7.173 -0.461 102 H CYS 14 HN CYS 14 -21.470 -4.017 -3.080 103 HA CYS 14 HA CYS 14 -20.674 -4.323 -5.758 104 HB2 CYS 14 HB2 CYS 14 -20.212 -1.842 -4.113 105 HB3 CYS 14 HB3 CYS 14 -20.597 -1.959 -5.821 106 HG CYS 14 HG CYS 14 -23.006 -1.180 -5.244 107 H ALA 15 HN ALA 15 -18.915 -3.455 -2.823 108 HA ALA 15 HA ALA 15 -16.366 -3.234 -4.032 109 HB1 ALA 15 HB1 ALA 15 -17.018 -2.344 -1.780 110 HB2 ALA 15 HB2 ALA 15 -16.934 -3.999 -1.170 111 HB3 ALA 15 HB3 ALA 15 -15.487 -3.221 -1.812 112 H ALA 16 HN ALA 16 -18.258 -5.921 -2.914 113 HA ALA 16 HA ALA 16 -16.081 -7.791 -2.793 114 HB1 ALA 16 HB1 ALA 16 -18.907 -7.796 -2.181 115 HB2 ALA 16 HB2 ALA 16 -18.429 -9.257 -3.046 116 HB3 ALA 16 HB3 ALA 16 -17.613 -8.814 -1.547 117 H HIS 17 HN HIS 17 -18.574 -6.906 -5.119 118 HA HIS 17 HA HIS 17 -18.058 -8.873 -7.054 119 HB2 HIS 17 HB2 HIS 17 -19.450 -6.284 -6.923 120 HB3 HIS 17 HB3 HIS 17 -18.816 -6.678 -8.516 121 HD1 HIS 17 HD1 HIS 17 -21.892 -6.615 -7.475 122 HD2 HIS 17 HD2 HIS 17 -19.555 -9.951 -8.328 123 HE1 HIS 17 HE1 HIS 17 -23.512 -8.474 -7.969 124 HE2 HIS 17 HE2 HIS 17 -22.075 -10.523 -8.234 125 H VAL 18 HN VAL 18 -16.764 -5.622 -6.581 126 HA VAL 18 HA VAL 18 -14.974 -5.605 -8.749 127 HB VAL 18 HB VAL 18 -14.936 -4.156 -6.096 128 HG11 VAL 18 HG11 VAL 18 -12.935 -3.261 -6.483 129 HG12 VAL 18 HG12 VAL 18 -12.709 -4.535 -7.682 130 HG13 VAL 18 HG13 VAL 18 -13.311 -2.954 -8.179 131 HG21 VAL 18 HG21 VAL 18 -15.942 -3.558 -8.829 132 HG22 VAL 18 HG22 VAL 18 -16.664 -3.219 -7.257 133 HG23 VAL 18 HG23 VAL 18 -15.330 -2.226 -7.847 134 H LYS 19 HN LYS 19 -14.561 -6.495 -5.350 135 HA LYS 19 HA LYS 19 -11.867 -7.135 -5.356 136 HB2 LYS 19 HB2 LYS 19 -12.815 -7.093 -3.242 137 HB3 LYS 19 HB3 LYS 19 -14.224 -8.010 -3.742 138 HG2 LYS 19 HG2 LYS 19 -12.176 -9.812 -4.064 139 HG3 LYS 19 HG3 LYS 19 -11.706 -8.921 -2.614 140 HD2 LYS 19 HD2 LYS 19 -13.327 -9.858 -1.394 141 HD3 LYS 19 HD3 LYS 19 -14.535 -9.604 -2.655 142 HE2 LYS 19 HE2 LYS 19 -14.436 -11.913 -2.492 143 HE3 LYS 19 HE3 LYS 19 -13.363 -11.571 -3.849 144 HZ1 LYS 19 HZ1 LYS 19 -12.767 -12.860 -1.408 145 HZ2 LYS 19 HZ2 LYS 19 -11.817 -11.463 -1.542 146 HZ3 LYS 19 HZ3 LYS 19 -11.767 -12.638 -2.766 147 H GLU 20 HN GLU 20 -14.633 -9.283 -5.973 148 HA GLU 20 HA GLU 20 -13.044 -11.561 -6.467 149 HB2 GLU 20 HB2 GLU 20 -15.060 -12.489 -6.244 150 HB3 GLU 20 HB3 GLU 20 -15.821 -10.912 -6.355 151 HG2 GLU 20 HG2 GLU 20 -16.720 -11.475 -8.284 152 HG3 GLU 20 HG3 GLU 20 -15.117 -11.730 -8.976 153 H ALA 21 HN ALA 21 -14.329 -9.050 -8.568 154 HA ALA 21 HA ALA 21 -13.728 -10.283 -11.033 155 HB1 ALA 21 HB1 ALA 21 -14.821 -8.473 -11.724 156 HB2 ALA 21 HB2 ALA 21 -14.640 -7.714 -10.141 157 HB3 ALA 21 HB3 ALA 21 -13.387 -7.511 -11.367 158 H LEU 22 HN LEU 22 -11.870 -8.233 -8.866 159 HA LEU 22 HA LEU 22 -9.565 -8.049 -10.519 160 HB2 LEU 22 HB2 LEU 22 -9.889 -7.702 -7.537 161 HB3 LEU 22 HB3 LEU 22 -8.444 -7.292 -8.439 162 HG LEU 22 HG LEU 22 -11.131 -6.039 -8.982 163 HD11 LEU 22 HD11 LEU 22 -8.917 -4.701 -7.475 164 HD12 LEU 22 HD12 LEU 22 -10.621 -4.254 -7.588 165 HD13 LEU 22 HD13 LEU 22 -10.138 -5.663 -6.641 166 HD21 LEU 22 HD21 LEU 22 -8.320 -5.306 -9.793 167 HD22 LEU 22 HD22 LEU 22 -9.599 -5.912 -10.846 168 HD23 LEU 22 HD23 LEU 22 -9.750 -4.320 -10.100 169 H GLU 23 HN GLU 23 -10.479 -10.130 -7.811 170 HA GLU 23 HA GLU 23 -8.030 -11.545 -7.696 171 HB2 GLU 23 HB2 GLU 23 -10.702 -11.760 -6.460 172 HB3 GLU 23 HB3 GLU 23 -9.776 -13.255 -6.544 173 HG2 GLU 23 HG2 GLU 23 -7.979 -12.301 -5.310 174 HG3 GLU 23 HG3 GLU 23 -8.698 -10.696 -5.401 175 H LYS 24 HN LYS 24 -10.648 -11.749 -9.874 176 HA LYS 24 HA LYS 24 -10.254 -14.479 -10.644 177 HB2 LYS 24 HB2 LYS 24 -12.089 -12.481 -11.282 178 HB3 LYS 24 HB3 LYS 24 -11.212 -12.747 -12.782 179 HG2 LYS 24 HG2 LYS 24 -12.726 -14.365 -13.109 180 HG3 LYS 24 HG3 LYS 24 -11.703 -15.300 -12.016 181 HD2 LYS 24 HD2 LYS 24 -13.081 -14.616 -10.126 182 HD3 LYS 24 HD3 LYS 24 -14.089 -13.643 -11.198 183 HE2 LYS 24 HE2 LYS 24 -14.778 -15.647 -12.395 184 HE3 LYS 24 HE3 LYS 24 -13.729 -16.632 -11.377 185 HZ1 LYS 24 HZ1 LYS 24 -15.058 -15.867 -9.444 186 HZ2 LYS 24 HZ2 LYS 24 -15.947 -16.795 -10.554 187 HZ3 LYS 24 HZ3 LYS 24 -16.130 -15.110 -10.521 188 H VAL 25 HN VAL 25 -8.608 -11.542 -11.176 189 HA VAL 25 HA VAL 25 -7.123 -12.469 -13.489 190 HB VAL 25 HB VAL 25 -6.891 -9.997 -11.764 191 HG11 VAL 25 HG11 VAL 25 -5.535 -9.521 -14.145 192 HG12 VAL 25 HG12 VAL 25 -4.815 -9.752 -12.552 193 HG13 VAL 25 HG13 VAL 25 -4.999 -11.124 -13.646 194 HG21 VAL 25 HG21 VAL 25 -8.789 -10.518 -13.564 195 HG22 VAL 25 HG22 VAL 25 -8.145 -8.899 -13.295 196 HG23 VAL 25 HG23 VAL 25 -7.555 -9.870 -14.643 197 HA PRO 26 HA PRO 26 -4.307 -14.828 -10.958 198 HB2 PRO 26 HB2 PRO 26 -2.514 -14.528 -13.300 199 HB3 PRO 26 HB3 PRO 26 -3.081 -15.994 -12.494 200 HG2 PRO 26 HG2 PRO 26 -4.052 -15.280 -14.868 201 HG3 PRO 26 HG3 PRO 26 -5.101 -15.994 -13.629 202 HD2 PRO 26 HD2 PRO 26 -4.818 -13.132 -14.457 203 HD3 PRO 26 HD3 PRO 26 -6.283 -14.044 -14.040 204 H GLY 27 HN GLY 27 -3.591 -11.731 -12.311 205 HA2 GLY 27 HA1 GLY 27 -0.979 -11.452 -11.158 206 HA3 GLY 27 HA2 GLY 27 -1.955 -10.162 -11.838 207 H VAL 28 HN VAL 28 -4.152 -11.221 -9.911 208 HA VAL 28 HA VAL 28 -3.298 -9.555 -7.663 209 HB VAL 28 HB VAL 28 -6.014 -10.656 -8.399 210 HG11 VAL 28 HG11 VAL 28 -6.583 -10.312 -6.273 211 HG12 VAL 28 HG12 VAL 28 -5.027 -9.565 -5.909 212 HG13 VAL 28 HG13 VAL 28 -6.341 -8.589 -6.567 213 HG21 VAL 28 HG21 VAL 28 -4.870 -8.736 -9.731 214 HG22 VAL 28 HG22 VAL 28 -6.558 -8.583 -9.245 215 HG23 VAL 28 HG23 VAL 28 -5.299 -7.759 -8.327 216 H GLN 29 HN GLN 29 -2.682 -10.425 -5.786 217 HA GLN 29 HA GLN 29 -3.004 -13.290 -5.389 218 HB2 GLN 29 HB2 GLN 29 -1.034 -11.394 -4.657 219 HB3 GLN 29 HB3 GLN 29 -1.753 -11.979 -3.163 220 HG2 GLN 29 HG2 GLN 29 -1.221 -14.242 -3.716 221 HG3 GLN 29 HG3 GLN 29 -0.680 -13.769 -5.326 222 HE21 GLN 29 HE21 GLN 29 -0.054 -12.909 -1.935 223 HE22 GLN 29 HE22 GLN 29 1.672 -12.840 -2.099 224 H SER 30 HN SER 30 -3.863 -10.233 -3.801 225 HA SER 30 HA SER 30 -6.224 -11.497 -2.706 226 HB2 SER 30 HB2 SER 30 -5.045 -10.023 -0.542 227 HB3 SER 30 HB3 SER 30 -5.528 -11.716 -0.585 228 HG SER 30 HG SER 30 -3.238 -11.231 -0.138 229 H ALA 31 HN ALA 31 -7.863 -10.128 -2.946 230 HA ALA 31 HA ALA 31 -7.269 -7.256 -3.165 231 HB1 ALA 31 HB1 ALA 31 -8.462 -8.376 -5.051 232 HB2 ALA 31 HB2 ALA 31 -9.804 -8.688 -3.951 233 HB3 ALA 31 HB3 ALA 31 -9.348 -7.028 -4.338 234 H LEU 32 HN LEU 32 -7.145 -6.754 -0.973 235 HA LEU 32 HA LEU 32 -9.309 -7.548 0.793 236 HB2 LEU 32 HB2 LEU 32 -7.140 -5.653 1.592 237 HB3 LEU 32 HB3 LEU 32 -7.976 -6.853 2.558 238 HG LEU 32 HG LEU 32 -6.154 -7.720 0.343 239 HD11 LEU 32 HD11 LEU 32 -4.519 -7.942 2.427 240 HD12 LEU 32 HD12 LEU 32 -4.542 -6.520 1.384 241 HD13 LEU 32 HD13 LEU 32 -5.397 -6.496 2.927 242 HD21 LEU 32 HD21 LEU 32 -6.022 -9.739 1.545 243 HD22 LEU 32 HD22 LEU 32 -6.690 -9.011 3.004 244 HD23 LEU 32 HD23 LEU 32 -7.723 -9.275 1.599 245 H VAL 33 HN VAL 33 -10.931 -6.373 -0.439 246 HA VAL 33 HA VAL 33 -10.838 -3.478 -0.348 247 HB VAL 33 HB VAL 33 -13.239 -5.119 -1.130 248 HG11 VAL 33 HG11 VAL 33 -13.110 -2.508 -0.824 249 HG12 VAL 33 HG12 VAL 33 -12.400 -2.581 -2.437 250 HG13 VAL 33 HG13 VAL 33 -14.019 -3.226 -2.155 251 HG21 VAL 33 HG21 VAL 33 -11.283 -5.983 -2.354 252 HG22 VAL 33 HG22 VAL 33 -12.436 -5.175 -3.417 253 HG23 VAL 33 HG23 VAL 33 -10.951 -4.353 -2.939 254 H SER 34 HN SER 34 -11.609 -2.280 1.247 255 HA SER 34 HA SER 34 -13.225 -3.610 3.308 256 HB2 SER 34 HB2 SER 34 -12.053 -0.967 3.905 257 HB3 SER 34 HB3 SER 34 -12.088 -2.435 4.884 258 HG SER 34 HG SER 34 -10.535 -3.018 2.892 259 H TYR 35 HN TYR 35 -15.334 -3.211 3.172 260 HA TYR 35 HA TYR 35 -16.519 -1.219 1.635 261 HB2 TYR 35 HB2 TYR 35 -18.051 -2.128 3.998 262 HB3 TYR 35 HB3 TYR 35 -18.508 -2.055 2.310 263 HD1 TYR 35 HD1 TYR 35 -17.102 -3.800 0.795 264 HD2 TYR 35 HD2 TYR 35 -17.975 -4.233 4.935 265 HE1 TYR 35 HE1 TYR 35 -16.770 -6.227 0.604 266 HE2 TYR 35 HE2 TYR 35 -17.653 -6.663 4.754 267 HH TYR 35 HH TYR 35 -16.059 -8.135 2.439 268 HA PRO 36 HA PRO 36 -17.273 1.311 5.735 269 HB2 PRO 36 HB2 PRO 36 -15.441 0.921 7.728 270 HB3 PRO 36 HB3 PRO 36 -17.000 0.093 7.650 271 HG2 PRO 36 HG2 PRO 36 -14.295 -0.877 6.800 272 HG3 PRO 36 HG3 PRO 36 -15.560 -1.735 7.705 273 HD2 PRO 36 HD2 PRO 36 -15.195 -2.156 5.087 274 HD3 PRO 36 HD3 PRO 36 -16.820 -2.144 5.803 275 H LYS 37 HN LYS 37 -14.258 0.583 4.274 276 HA LYS 37 HA LYS 37 -13.202 3.237 4.937 277 HB2 LYS 37 HB2 LYS 37 -11.992 0.608 4.374 278 HB3 LYS 37 HB3 LYS 37 -11.174 1.977 3.631 279 HG2 LYS 37 HG2 LYS 37 -11.883 2.181 6.509 280 HG3 LYS 37 HG3 LYS 37 -10.558 1.108 6.051 281 HD2 LYS 37 HD2 LYS 37 -10.026 3.359 4.587 282 HD3 LYS 37 HD3 LYS 37 -10.693 4.026 6.079 283 HE2 LYS 37 HE2 LYS 37 -8.729 1.859 6.423 284 HE3 LYS 37 HE3 LYS 37 -8.093 3.357 5.747 285 HZ1 LYS 37 HZ1 LYS 37 -9.832 3.562 8.090 286 HZ2 LYS 37 HZ2 LYS 37 -8.484 4.495 7.651 287 HZ3 LYS 37 HZ3 LYS 37 -8.267 2.958 8.334 288 H GLY 38 HN GLY 38 -14.715 1.468 2.494 289 HA2 GLY 38 HA1 GLY 38 -15.209 1.910 0.306 290 HA3 GLY 38 HA2 GLY 38 -14.751 3.575 0.643 291 H THR 39 HN THR 39 -12.454 1.014 1.135 292 HA THR 39 HA THR 39 -11.049 1.835 -1.314 293 HB THR 39 HB THR 39 -9.023 1.369 0.530 294 HG1 THR 39 HG1 THR 39 -11.057 3.019 1.677 295 HG21 THR 39 HG21 THR 39 -9.037 4.037 0.425 296 HG22 THR 39 HG22 THR 39 -10.180 3.708 -0.876 297 HG23 THR 39 HG23 THR 39 -8.550 3.040 -0.943 298 H ALA 40 HN ALA 40 -9.596 0.355 -2.160 299 HA ALA 40 HA ALA 40 -9.917 -2.403 -1.179 300 HB1 ALA 40 HB1 ALA 40 -10.858 -2.394 -3.299 301 HB2 ALA 40 HB2 ALA 40 -9.668 -1.253 -3.930 302 HB3 ALA 40 HB3 ALA 40 -9.205 -2.926 -3.614 303 H GLN 41 HN GLN 41 -8.154 -3.197 -0.235 304 HA GLN 41 HA GLN 41 -5.531 -2.088 -0.888 305 HB2 GLN 41 HB2 GLN 41 -6.673 -3.667 1.360 306 HB3 GLN 41 HB3 GLN 41 -4.976 -3.931 0.985 307 HG2 GLN 41 HG2 GLN 41 -5.256 -2.262 2.729 308 HG3 GLN 41 HG3 GLN 41 -4.519 -1.564 1.289 309 HE21 GLN 41 HE21 GLN 41 -7.561 -1.897 3.039 310 HE22 GLN 41 HE22 GLN 41 -8.266 -0.430 2.454 311 H LEU 42 HN LEU 42 -4.815 -2.947 -2.767 312 HA LEU 42 HA LEU 42 -5.453 -5.744 -3.342 313 HB2 LEU 42 HB2 LEU 42 -4.836 -3.347 -4.974 314 HB3 LEU 42 HB3 LEU 42 -4.364 -4.905 -5.626 315 HG LEU 42 HG LEU 42 -7.110 -4.862 -4.632 316 HD11 LEU 42 HD11 LEU 42 -6.185 -2.671 -6.291 317 HD12 LEU 42 HD12 LEU 42 -7.451 -3.615 -7.075 318 HD13 LEU 42 HD13 LEU 42 -7.737 -2.906 -5.487 319 HD21 LEU 42 HD21 LEU 42 -5.652 -6.441 -6.254 320 HD22 LEU 42 HD22 LEU 42 -7.413 -6.357 -6.291 321 HD23 LEU 42 HD23 LEU 42 -6.463 -5.428 -7.449 322 H ALA 43 HN ALA 43 -4.003 -7.206 -2.790 323 HA ALA 43 HA ALA 43 -1.159 -6.580 -2.876 324 HB1 ALA 43 HB1 ALA 43 -2.200 -7.956 -1.034 325 HB2 ALA 43 HB2 ALA 43 -2.437 -9.230 -2.229 326 HB3 ALA 43 HB3 ALA 43 -0.807 -8.688 -1.831 327 H ILE 44 HN ILE 44 -0.797 -6.287 -5.057 328 HA ILE 44 HA ILE 44 -1.550 -8.441 -6.885 329 HB ILE 44 HB ILE 44 -0.457 -6.664 -8.547 330 HG12 ILE 44 HG12 ILE 44 -1.752 -4.696 -6.754 331 HG13 ILE 44 HG13 ILE 44 -0.162 -5.259 -6.250 332 HG21 ILE 44 HG21 ILE 44 -2.888 -7.598 -8.207 333 HG22 ILE 44 HG22 ILE 44 -3.184 -5.974 -7.581 334 HG23 ILE 44 HG23 ILE 44 -2.588 -6.191 -9.228 335 HD11 ILE 44 HD11 ILE 44 -0.866 -3.362 -8.276 336 HD12 ILE 44 HD12 ILE 44 0.719 -3.764 -7.612 337 HD13 ILE 44 HD13 ILE 44 0.073 -4.685 -8.970 338 H VAL 45 HN VAL 45 -0.031 -9.247 -8.420 339 HA VAL 45 HA VAL 45 2.593 -9.674 -7.257 340 HB VAL 45 HB VAL 45 1.398 -10.752 -9.824 341 HG11 VAL 45 HG11 VAL 45 4.051 -10.758 -8.994 342 HG12 VAL 45 HG12 VAL 45 3.450 -12.369 -8.593 343 HG13 VAL 45 HG13 VAL 45 3.330 -11.768 -10.248 344 HG21 VAL 45 HG21 VAL 45 1.565 -12.848 -8.076 345 HG22 VAL 45 HG22 VAL 45 1.073 -11.518 -7.028 346 HG23 VAL 45 HG23 VAL 45 0.100 -11.935 -8.438 347 HA PRO 46 HA PRO 46 4.729 -6.354 -9.322 348 HB2 PRO 46 HB2 PRO 46 6.969 -8.040 -9.879 349 HB3 PRO 46 HB3 PRO 46 6.804 -6.850 -8.586 350 HG2 PRO 46 HG2 PRO 46 6.421 -9.783 -8.516 351 HG3 PRO 46 HG3 PRO 46 6.888 -8.677 -7.214 352 HD2 PRO 46 HD2 PRO 46 4.444 -9.782 -7.310 353 HD3 PRO 46 HD3 PRO 46 4.686 -8.118 -6.732 354 H GLY 47 HN GLY 47 4.717 -5.674 -11.370 355 HA2 GLY 47 HA1 GLY 47 5.164 -6.131 -13.743 356 HA3 GLY 47 HA2 GLY 47 4.458 -7.722 -13.485 357 H THR 48 HN THR 48 2.241 -7.042 -11.965 358 HA THR 48 HA THR 48 0.456 -5.968 -13.933 359 HB THR 48 HB THR 48 -0.469 -6.249 -11.133 360 HG1 THR 48 HG1 THR 48 0.792 -8.045 -11.079 361 HG21 THR 48 HG21 THR 48 -1.704 -6.026 -13.537 362 HG22 THR 48 HG22 THR 48 -2.444 -6.755 -12.113 363 HG23 THR 48 HG23 THR 48 -1.691 -7.777 -13.337 364 H SER 49 HN SER 49 0.097 -3.904 -14.285 365 HA SER 49 HA SER 49 1.086 -1.909 -12.519 366 HB2 SER 49 HB2 SER 49 -0.593 -0.657 -14.365 367 HB3 SER 49 HB3 SER 49 1.146 -0.893 -14.527 368 HG SER 49 HG SER 49 -0.534 -1.782 -16.179 369 HA PRO 50 HA PRO 50 -2.497 -1.608 -9.911 370 HB2 PRO 50 HB2 PRO 50 -1.590 1.173 -9.451 371 HB3 PRO 50 HB3 PRO 50 -1.868 -0.123 -8.283 372 HG2 PRO 50 HG2 PRO 50 0.609 0.653 -8.928 373 HG3 PRO 50 HG3 PRO 50 0.227 -1.051 -8.619 374 HD2 PRO 50 HD2 PRO 50 0.625 0.360 -11.230 375 HD3 PRO 50 HD3 PRO 50 1.153 -1.261 -10.735 376 H ASP 51 HN ASP 51 -1.756 0.658 -12.429 377 HA ASP 51 HA ASP 51 -4.205 2.110 -12.382 378 HB2 ASP 51 HB2 ASP 51 -2.814 3.324 -13.661 379 HB3 ASP 51 HB3 ASP 51 -1.794 1.948 -14.024 380 H ALA 52 HN ALA 52 -3.223 -0.948 -13.454 381 HA ALA 52 HA ALA 52 -5.133 -1.264 -15.553 382 HB1 ALA 52 HB1 ALA 52 -4.002 -3.638 -14.160 383 HB2 ALA 52 HB2 ALA 52 -4.257 -3.356 -15.884 384 HB3 ALA 52 HB3 ALA 52 -2.905 -2.583 -15.054 385 H LEU 53 HN LEU 53 -5.038 -1.894 -12.142 386 HA LEU 53 HA LEU 53 -7.446 -3.427 -12.038 387 HB2 LEU 53 HB2 LEU 53 -6.260 -1.851 -9.766 388 HB3 LEU 53 HB3 LEU 53 -7.238 -3.304 -9.681 389 HG LEU 53 HG LEU 53 -4.612 -3.481 -11.072 390 HD11 LEU 53 HD11 LEU 53 -4.459 -3.998 -8.204 391 HD12 LEU 53 HD12 LEU 53 -3.307 -3.209 -9.282 392 HD13 LEU 53 HD13 LEU 53 -4.662 -2.295 -8.617 393 HD21 LEU 53 HD21 LEU 53 -6.605 -5.241 -9.934 394 HD22 LEU 53 HD22 LEU 53 -5.294 -5.598 -11.058 395 HD23 LEU 53 HD23 LEU 53 -4.990 -5.599 -9.320 396 H THR 54 HN THR 54 -6.564 -0.060 -11.476 397 HA THR 54 HA THR 54 -9.062 0.917 -10.705 398 HB THR 54 HB THR 54 -7.510 2.742 -12.395 399 HG1 THR 54 HG1 THR 54 -6.259 1.663 -10.076 400 HG21 THR 54 HG21 THR 54 -9.260 3.088 -10.420 401 HG22 THR 54 HG22 THR 54 -7.978 4.253 -10.752 402 HG23 THR 54 HG23 THR 54 -7.781 3.070 -9.457 403 H ALA 55 HN ALA 55 -7.563 0.743 -13.916 404 HA ALA 55 HA ALA 55 -9.792 1.815 -15.302 405 HB1 ALA 55 HB1 ALA 55 -8.498 1.662 -17.134 406 HB2 ALA 55 HB2 ALA 55 -7.218 1.274 -15.981 407 HB3 ALA 55 HB3 ALA 55 -8.077 -0.022 -16.815 408 H ALA 56 HN ALA 56 -8.851 -1.450 -14.392 409 HA ALA 56 HA ALA 56 -10.777 -2.822 -15.914 410 HB1 ALA 56 HB1 ALA 56 -8.844 -3.857 -14.684 411 HB2 ALA 56 HB2 ALA 56 -9.784 -3.679 -13.204 412 HB3 ALA 56 HB3 ALA 56 -10.382 -4.701 -14.510 413 H VAL 57 HN VAL 57 -10.908 -1.518 -12.610 414 HA VAL 57 HA VAL 57 -13.567 -2.350 -12.103 415 HB VAL 57 HB VAL 57 -12.073 -0.055 -10.852 416 HG11 VAL 57 HG11 VAL 57 -14.749 -0.691 -10.623 417 HG12 VAL 57 HG12 VAL 57 -14.015 -1.440 -9.205 418 HG13 VAL 57 HG13 VAL 57 -13.808 0.288 -9.497 419 HG21 VAL 57 HG21 VAL 57 -10.916 -1.502 -9.609 420 HG22 VAL 57 HG22 VAL 57 -12.349 -2.474 -9.276 421 HG23 VAL 57 HG23 VAL 57 -11.432 -2.737 -10.757 422 H ALA 58 HN ALA 58 -12.218 0.784 -13.163 423 HA ALA 58 HA ALA 58 -14.718 2.081 -13.362 424 HB1 ALA 58 HB1 ALA 58 -13.577 3.884 -14.240 425 HB2 ALA 58 HB2 ALA 58 -12.319 3.065 -13.315 426 HB3 ALA 58 HB3 ALA 58 -12.396 2.868 -15.066 427 H GLY 59 HN GLY 59 -13.144 -0.170 -15.440 428 HA2 GLY 59 HA1 GLY 59 -14.917 0.504 -17.677 429 HA3 GLY 59 HA2 GLY 59 -13.584 -0.643 -17.718 430 H LEU 60 HN LEU 60 -15.299 -1.125 -14.919 431 HA LEU 60 HA LEU 60 -16.738 -3.369 -16.140 432 HB2 LEU 60 HB2 LEU 60 -15.172 -3.053 -13.725 433 HB3 LEU 60 HB3 LEU 60 -16.735 -3.773 -13.402 434 HG LEU 60 HG LEU 60 -14.822 -4.833 -15.476 435 HD11 LEU 60 HD11 LEU 60 -15.185 -5.618 -12.592 436 HD12 LEU 60 HD12 LEU 60 -14.338 -6.598 -13.789 437 HD13 LEU 60 HD13 LEU 60 -13.720 -5.002 -13.357 438 HD21 LEU 60 HD21 LEU 60 -17.527 -5.487 -14.619 439 HD22 LEU 60 HD22 LEU 60 -16.650 -5.972 -16.070 440 HD23 LEU 60 HD23 LEU 60 -16.432 -6.868 -14.566 441 H GLY 61 HN GLY 61 -17.541 -0.453 -15.664 442 HA2 GLY 61 HA1 GLY 61 -19.755 0.349 -15.583 443 HA3 GLY 61 HA2 GLY 61 -20.239 -1.132 -14.770 444 H TYR 62 HN TYR 62 -17.594 -0.344 -13.153 445 HA TYR 62 HA TYR 62 -19.029 1.329 -11.212 446 HB2 TYR 62 HB2 TYR 62 -16.498 -0.250 -10.715 447 HB3 TYR 62 HB3 TYR 62 -17.582 0.452 -9.526 448 HD1 TYR 62 HD2 TYR 62 -19.944 -0.548 -9.344 449 HD2 TYR 62 HD1 TYR 62 -16.748 -2.476 -11.380 450 HE1 TYR 62 HE2 TYR 62 -21.141 -2.690 -9.180 451 HE2 TYR 62 HE1 TYR 62 -17.937 -4.623 -11.227 452 HH TYR 62 HH TYR 62 -19.759 -5.619 -9.596 453 H LYS 63 HN LYS 63 -17.276 2.707 -9.903 454 HA LYS 63 HA LYS 63 -15.333 3.769 -11.844 455 HB2 LYS 63 HB2 LYS 63 -17.260 5.317 -11.221 456 HB3 LYS 63 HB3 LYS 63 -16.577 5.364 -9.601 457 HG2 LYS 63 HG2 LYS 63 -15.798 7.295 -10.703 458 HG3 LYS 63 HG3 LYS 63 -14.434 6.178 -10.662 459 HD2 LYS 63 HD2 LYS 63 -14.945 5.498 -12.970 460 HD3 LYS 63 HD3 LYS 63 -16.278 6.653 -13.002 461 HE2 LYS 63 HE2 LYS 63 -13.455 7.489 -12.406 462 HE3 LYS 63 HE3 LYS 63 -14.063 7.369 -14.057 463 HZ1 LYS 63 HZ1 LYS 63 -14.413 9.454 -12.195 464 HZ2 LYS 63 HZ2 LYS 63 -15.935 8.825 -12.601 465 HZ3 LYS 63 HZ3 LYS 63 -14.896 9.390 -13.820 466 H ALA 64 HN ALA 64 -13.236 3.731 -11.201 467 HA ALA 64 HA ALA 64 -12.741 3.364 -8.318 468 HB1 ALA 64 HB1 ALA 64 -11.177 2.141 -10.584 469 HB2 ALA 64 HB2 ALA 64 -10.839 1.952 -8.865 470 HB3 ALA 64 HB3 ALA 64 -12.325 1.293 -9.549 471 H THR 65 HN THR 65 -11.258 4.624 -7.383 472 HA THR 65 HA THR 65 -9.479 6.207 -9.125 473 HB THR 65 HB THR 65 -9.894 7.264 -6.414 474 HG1 THR 65 HG1 THR 65 -12.058 6.498 -7.761 475 HG21 THR 65 HG21 THR 65 -10.294 8.661 -9.047 476 HG22 THR 65 HG22 THR 65 -8.683 8.311 -8.416 477 HG23 THR 65 HG23 THR 65 -9.785 9.344 -7.502 478 H LEU 66 HN LEU 66 -7.918 7.110 -6.771 479 HA LEU 66 HA LEU 66 -6.823 4.616 -5.761 480 HB2 LEU 66 HB2 LEU 66 -4.530 5.824 -6.722 481 HB3 LEU 66 HB3 LEU 66 -5.303 4.392 -7.372 482 HG LEU 66 HG LEU 66 -6.704 6.254 -8.695 483 HD11 LEU 66 HD11 LEU 66 -4.039 7.513 -8.090 484 HD12 LEU 66 HD12 LEU 66 -5.070 8.000 -9.435 485 HD13 LEU 66 HD13 LEU 66 -5.644 8.175 -7.776 486 HD21 LEU 66 HD21 LEU 66 -4.079 4.959 -9.319 487 HD22 LEU 66 HD22 LEU 66 -5.687 4.563 -9.923 488 HD23 LEU 66 HD23 LEU 66 -4.864 6.016 -10.491 489 H ALA 67 HN ALA 67 -5.946 4.827 -3.861 490 HA ALA 67 HA ALA 67 -5.277 7.524 -2.877 491 HB1 ALA 67 HB1 ALA 67 -5.677 5.525 -0.812 492 HB2 ALA 67 HB2 ALA 67 -6.432 7.106 -1.008 493 HB3 ALA 67 HB3 ALA 67 -7.101 5.703 -1.838 494 H ASP 68 HN ASP 68 -3.225 7.025 -4.002 495 HA ASP 68 HA ASP 68 -1.623 4.835 -3.392 496 HB2 ASP 68 HB2 ASP 68 -0.191 5.703 -4.909 497 HB3 ASP 68 HB3 ASP 68 -1.520 6.804 -5.243 498 H ALA 69 HN ALA 69 -2.086 7.820 -1.700 499 HA ALA 69 HA ALA 69 0.125 7.137 0.110 500 HB1 ALA 69 HB1 ALA 69 0.064 9.432 -0.919 501 HB2 ALA 69 HB2 ALA 69 -1.393 9.739 0.028 502 HB3 ALA 69 HB3 ALA 69 0.134 9.400 0.843 Start of MODEL 14 1 H1 MET 1 H1 MET 1 -1.591 -3.164 0.557 2 H2 MET 1 H2 MET 1 -0.092 -3.931 0.733 3 H3 MET 1 H3 MET 1 -0.737 -3.678 -0.814 4 HA MET 1 HA MET 1 -0.109 -1.472 1.035 5 HB2 MET 1 HB2 MET 1 2.033 -1.189 0.037 6 HB3 MET 1 HB3 MET 1 1.919 -2.872 0.523 7 HG2 MET 1 HG2 MET 1 1.429 -1.904 -2.283 8 HG3 MET 1 HG3 MET 1 2.987 -2.473 -1.690 9 HE1 MET 1 HE1 MET 1 3.613 -4.050 -2.877 10 HE2 MET 1 HE2 MET 1 3.376 -5.627 -2.120 11 HE3 MET 1 HE3 MET 1 2.668 -5.293 -3.700 12 H THR 2 HN THR 2 -0.714 -2.616 -2.264 13 HA THR 2 HA THR 2 -1.017 -0.036 -3.387 14 HB THR 2 HB THR 2 -2.471 -2.374 -4.523 15 HG1 THR 2 HG1 THR 2 0.379 -2.150 -4.555 16 HG21 THR 2 HG21 THR 2 -1.952 0.061 -5.502 17 HG22 THR 2 HG22 THR 2 -2.081 -1.365 -6.529 18 HG23 THR 2 HG23 THR 2 -0.495 -0.769 -6.044 19 H HIS 3 HN HIS 3 -2.586 1.356 -2.908 20 HA HIS 3 HA HIS 3 -5.163 0.300 -1.985 21 HB2 HIS 3 HB2 HIS 3 -3.871 2.992 -1.698 22 HB3 HIS 3 HB3 HIS 3 -5.577 2.759 -1.396 23 HD1 HIS 3 HD1 HIS 3 -2.195 2.022 0.045 24 HD2 HIS 3 HD2 HIS 3 -6.220 1.445 0.965 25 HE1 HIS 3 HE1 HIS 3 -2.250 1.270 2.446 26 HE2 HIS 3 HE2 HIS 3 -4.695 1.099 3.032 27 H LEU 4 HN LEU 4 -6.957 0.643 -3.042 28 HA LEU 4 HA LEU 4 -6.975 2.385 -5.409 29 HB2 LEU 4 HB2 LEU 4 -8.289 -0.321 -5.092 30 HB3 LEU 4 HB3 LEU 4 -8.607 0.778 -6.417 31 HG LEU 4 HG LEU 4 -5.995 -0.612 -5.818 32 HD11 LEU 4 HD11 LEU 4 -7.880 -1.932 -6.841 33 HD12 LEU 4 HD12 LEU 4 -7.770 -0.854 -8.233 34 HD13 LEU 4 HD13 LEU 4 -6.393 -1.861 -7.786 35 HD21 LEU 4 HD21 LEU 4 -6.275 1.857 -7.001 36 HD22 LEU 4 HD22 LEU 4 -4.918 0.750 -7.217 37 HD23 LEU 4 HD23 LEU 4 -6.247 0.752 -8.376 38 H LYS 5 HN LYS 5 -8.703 3.760 -5.499 39 HA LYS 5 HA LYS 5 -10.484 3.681 -3.173 40 HB2 LYS 5 HB2 LYS 5 -9.239 5.795 -4.689 41 HB3 LYS 5 HB3 LYS 5 -10.974 6.041 -4.596 42 HG2 LYS 5 HG2 LYS 5 -9.668 5.299 -2.066 43 HG3 LYS 5 HG3 LYS 5 -9.224 6.874 -2.727 44 HD2 LYS 5 HD2 LYS 5 -11.071 7.594 -1.661 45 HD3 LYS 5 HD3 LYS 5 -11.925 6.906 -3.045 46 HE2 LYS 5 HE2 LYS 5 -12.477 4.952 -1.868 47 HE3 LYS 5 HE3 LYS 5 -11.276 5.261 -0.616 48 HZ1 LYS 5 HZ1 LYS 5 -12.599 7.131 0.146 49 HZ2 LYS 5 HZ2 LYS 5 -13.519 5.710 0.162 50 HZ3 LYS 5 HZ3 LYS 5 -13.749 6.849 -1.071 51 H ILE 6 HN ILE 6 -12.611 3.418 -3.313 52 HA ILE 6 HA ILE 6 -13.704 2.738 -5.930 53 HB ILE 6 HB ILE 6 -14.315 1.978 -3.139 54 HG12 ILE 6 HG12 ILE 6 -15.020 -0.138 -4.399 55 HG13 ILE 6 HG13 ILE 6 -14.400 0.655 -5.843 56 HG21 ILE 6 HG21 ILE 6 -16.656 1.265 -3.812 57 HG22 ILE 6 HG22 ILE 6 -16.417 2.982 -3.487 58 HG23 ILE 6 HG23 ILE 6 -16.508 2.403 -5.151 59 HD11 ILE 6 HD11 ILE 6 -12.348 0.021 -5.343 60 HD12 ILE 6 HD12 ILE 6 -12.449 0.809 -3.766 61 HD13 ILE 6 HD13 ILE 6 -12.990 -0.858 -3.954 62 H THR 7 HN THR 7 -15.148 3.997 -6.968 63 HA THR 7 HA THR 7 -16.344 6.230 -5.475 64 HB THR 7 HB THR 7 -16.101 7.088 -8.127 65 HG1 THR 7 HG1 THR 7 -14.402 5.335 -8.134 66 HG21 THR 7 HG21 THR 7 -15.865 8.245 -5.792 67 HG22 THR 7 HG22 THR 7 -15.025 8.909 -7.191 68 HG23 THR 7 HG23 THR 7 -14.146 7.923 -6.024 69 H GLY 8 HN GLY 8 -18.449 6.482 -5.723 70 HA2 GLY 8 HA1 GLY 8 -20.442 6.615 -7.009 71 HA3 GLY 8 HA2 GLY 8 -19.787 5.410 -8.106 72 H MET 9 HN MET 9 -18.942 3.680 -5.856 73 HA MET 9 HA MET 9 -21.491 2.318 -5.612 74 HB2 MET 9 HB2 MET 9 -18.862 1.294 -4.565 75 HB3 MET 9 HB3 MET 9 -20.293 0.386 -5.008 76 HG2 MET 9 HG2 MET 9 -19.956 0.884 -7.330 77 HG3 MET 9 HG3 MET 9 -18.584 1.922 -6.945 78 HE1 MET 9 HE1 MET 9 -16.751 1.436 -7.600 79 HE2 MET 9 HE2 MET 9 -15.746 0.303 -6.695 80 HE3 MET 9 HE3 MET 9 -16.272 -0.096 -8.332 81 H THR 10 HN THR 10 -21.484 0.970 -3.324 82 HA THR 10 HA THR 10 -21.591 3.132 -1.337 83 HB THR 10 HB THR 10 -23.379 0.722 -1.253 84 HG1 THR 10 HG1 THR 10 -24.188 1.469 -3.083 85 HG21 THR 10 HG21 THR 10 -24.788 2.136 0.080 86 HG22 THR 10 HG22 THR 10 -23.791 3.547 -0.271 87 HG23 THR 10 HG23 THR 10 -23.150 2.238 0.723 88 H CYS 11 HN CYS 11 -21.370 -0.478 -1.461 89 HA CYS 11 HA CYS 11 -19.621 -0.423 0.856 90 HB2 CYS 11 HB2 CYS 11 -21.246 -1.861 2.156 91 HB3 CYS 11 HB3 CYS 11 -21.633 -0.151 2.029 92 HG CYS 11 HG CYS 11 -23.742 -2.363 1.632 93 H ASP 12 HN ASP 12 -20.301 -3.047 1.747 94 HA ASP 12 HA ASP 12 -18.565 -4.683 0.464 95 HB2 ASP 12 HB2 ASP 12 -19.555 -5.220 2.625 96 HB3 ASP 12 HB3 ASP 12 -21.112 -5.524 1.858 97 H SER 13 HN SER 13 -22.063 -4.533 -0.257 98 HA SER 13 HA SER 13 -22.154 -6.600 -2.120 99 HB2 SER 13 HB2 SER 13 -23.862 -4.267 -2.705 100 HB3 SER 13 HB3 SER 13 -24.307 -5.948 -2.400 101 HG SER 13 HG SER 13 -24.680 -5.451 -0.404 102 H CYS 14 HN CYS 14 -20.975 -3.371 -2.405 103 HA CYS 14 HA CYS 14 -20.749 -3.448 -5.297 104 HB2 CYS 14 HB2 CYS 14 -19.602 -1.421 -3.385 105 HB3 CYS 14 HB3 CYS 14 -19.980 -1.181 -5.087 106 HG CYS 14 HG CYS 14 -22.822 -1.638 -4.492 107 H ALA 15 HN ALA 15 -18.665 -3.446 -2.456 108 HA ALA 15 HA ALA 15 -16.182 -3.546 -3.751 109 HB1 ALA 15 HB1 ALA 15 -16.019 -3.003 -1.521 110 HB2 ALA 15 HB2 ALA 15 -17.163 -4.251 -1.026 111 HB3 ALA 15 HB3 ALA 15 -15.523 -4.697 -1.496 112 H ALA 16 HN ALA 16 -18.548 -6.000 -3.103 113 HA ALA 16 HA ALA 16 -16.971 -8.304 -3.290 114 HB1 ALA 16 HB1 ALA 16 -18.924 -9.326 -2.991 115 HB2 ALA 16 HB2 ALA 16 -19.679 -7.734 -3.013 116 HB3 ALA 16 HB3 ALA 16 -19.564 -8.676 -4.498 117 H HIS 17 HN HIS 17 -18.655 -6.452 -5.797 118 HA HIS 17 HA HIS 17 -17.969 -8.138 -7.954 119 HB2 HIS 17 HB2 HIS 17 -19.586 -5.944 -7.650 120 HB3 HIS 17 HB3 HIS 17 -18.261 -5.278 -8.598 121 HD1 HIS 17 HD1 HIS 17 -20.773 -5.271 -10.076 122 HD2 HIS 17 HD2 HIS 17 -18.385 -8.678 -9.939 123 HE1 HIS 17 HE1 HIS 17 -21.433 -6.645 -12.075 124 HE2 HIS 17 HE2 HIS 17 -19.875 -8.625 -12.061 125 H VAL 18 HN VAL 18 -16.424 -5.309 -6.540 126 HA VAL 18 HA VAL 18 -14.317 -5.038 -8.394 127 HB VAL 18 HB VAL 18 -14.285 -4.373 -5.442 128 HG11 VAL 18 HG11 VAL 18 -12.563 -2.778 -5.991 129 HG12 VAL 18 HG12 VAL 18 -12.075 -4.378 -6.547 130 HG13 VAL 18 HG13 VAL 18 -12.677 -3.188 -7.703 131 HG21 VAL 18 HG21 VAL 18 -15.481 -2.503 -5.817 132 HG22 VAL 18 HG22 VAL 18 -14.770 -2.239 -7.409 133 HG23 VAL 18 HG23 VAL 18 -16.081 -3.400 -7.211 134 H LYS 19 HN LYS 19 -14.578 -6.764 -5.312 135 HA LYS 19 HA LYS 19 -11.975 -7.814 -5.276 136 HB2 LYS 19 HB2 LYS 19 -13.523 -7.723 -3.324 137 HB3 LYS 19 HB3 LYS 19 -14.469 -9.011 -4.057 138 HG2 LYS 19 HG2 LYS 19 -11.989 -10.120 -4.044 139 HG3 LYS 19 HG3 LYS 19 -11.943 -9.132 -2.580 140 HD2 LYS 19 HD2 LYS 19 -12.752 -11.322 -2.000 141 HD3 LYS 19 HD3 LYS 19 -14.094 -10.181 -1.882 142 HE2 LYS 19 HE2 LYS 19 -14.713 -10.877 -4.237 143 HE3 LYS 19 HE3 LYS 19 -13.543 -12.182 -4.065 144 HZ1 LYS 19 HZ1 LYS 19 -14.902 -13.332 -2.733 145 HZ2 LYS 19 HZ2 LYS 19 -16.130 -12.355 -3.387 146 HZ3 LYS 19 HZ3 LYS 19 -15.437 -11.960 -1.892 147 H GLU 20 HN GLU 20 -14.999 -9.064 -6.618 148 HA GLU 20 HA GLU 20 -14.003 -11.565 -7.432 149 HB2 GLU 20 HB2 GLU 20 -16.298 -9.849 -8.291 150 HB3 GLU 20 HB3 GLU 20 -15.878 -11.261 -9.250 151 HG2 GLU 20 HG2 GLU 20 -16.426 -12.736 -7.555 152 HG3 GLU 20 HG3 GLU 20 -16.289 -11.502 -6.302 153 H ALA 21 HN ALA 21 -14.196 -8.458 -9.111 154 HA ALA 21 HA ALA 21 -13.109 -9.297 -11.558 155 HB1 ALA 21 HB1 ALA 21 -14.036 -7.191 -11.679 156 HB2 ALA 21 HB2 ALA 21 -13.316 -6.669 -10.157 157 HB3 ALA 21 HB3 ALA 21 -12.318 -6.801 -11.605 158 H LEU 22 HN LEU 22 -11.644 -8.217 -8.562 159 HA LEU 22 HA LEU 22 -8.962 -8.169 -9.490 160 HB2 LEU 22 HB2 LEU 22 -10.247 -8.265 -6.782 161 HB3 LEU 22 HB3 LEU 22 -8.510 -8.447 -6.948 162 HG LEU 22 HG LEU 22 -9.874 -6.092 -8.193 163 HD11 LEU 22 HD11 LEU 22 -10.513 -5.258 -6.244 164 HD12 LEU 22 HD12 LEU 22 -9.910 -6.688 -5.404 165 HD13 LEU 22 HD13 LEU 22 -8.840 -5.316 -5.688 166 HD21 LEU 22 HD21 LEU 22 -7.506 -5.263 -7.170 167 HD22 LEU 22 HD22 LEU 22 -7.145 -6.950 -7.529 168 HD23 LEU 22 HD23 LEU 22 -7.723 -5.883 -8.807 169 H GLU 23 HN GLU 23 -10.947 -10.608 -7.885 170 HA GLU 23 HA GLU 23 -8.871 -12.501 -7.558 171 HB2 GLU 23 HB2 GLU 23 -11.839 -12.555 -7.372 172 HB3 GLU 23 HB3 GLU 23 -10.991 -14.092 -7.499 173 HG2 GLU 23 HG2 GLU 23 -9.521 -13.115 -5.589 174 HG3 GLU 23 HG3 GLU 23 -10.903 -12.056 -5.335 175 H LYS 24 HN LYS 24 -10.865 -11.634 -10.250 176 HA LYS 24 HA LYS 24 -10.298 -14.032 -11.739 177 HB2 LYS 24 HB2 LYS 24 -11.513 -11.373 -12.486 178 HB3 LYS 24 HB3 LYS 24 -11.295 -12.687 -13.627 179 HG2 LYS 24 HG2 LYS 24 -12.588 -13.825 -11.432 180 HG3 LYS 24 HG3 LYS 24 -13.375 -12.269 -11.698 181 HD2 LYS 24 HD2 LYS 24 -13.290 -13.087 -14.220 182 HD3 LYS 24 HD3 LYS 24 -13.263 -14.669 -13.441 183 HE2 LYS 24 HE2 LYS 24 -15.276 -14.011 -12.150 184 HE3 LYS 24 HE3 LYS 24 -15.332 -12.509 -13.070 185 HZ1 LYS 24 HZ1 LYS 24 -15.269 -14.220 -15.063 186 HZ2 LYS 24 HZ2 LYS 24 -16.724 -13.759 -14.323 187 HZ3 LYS 24 HZ3 LYS 24 -15.984 -15.230 -13.905 188 H VAL 25 HN VAL 25 -8.624 -11.199 -10.991 189 HA VAL 25 HA VAL 25 -6.941 -11.188 -13.355 190 HB VAL 25 HB VAL 25 -6.876 -9.577 -10.798 191 HG11 VAL 25 HG11 VAL 25 -5.215 -8.180 -12.278 192 HG12 VAL 25 HG12 VAL 25 -4.638 -9.537 -11.307 193 HG13 VAL 25 HG13 VAL 25 -4.914 -9.743 -13.036 194 HG21 VAL 25 HG21 VAL 25 -7.151 -7.822 -12.852 195 HG22 VAL 25 HG22 VAL 25 -8.039 -9.216 -13.467 196 HG23 VAL 25 HG23 VAL 25 -8.490 -8.495 -11.922 197 HA PRO 26 HA PRO 26 -4.318 -14.344 -11.636 198 HB2 PRO 26 HB2 PRO 26 -2.422 -13.595 -13.749 199 HB3 PRO 26 HB3 PRO 26 -3.282 -15.117 -13.503 200 HG2 PRO 26 HG2 PRO 26 -3.893 -13.439 -15.519 201 HG3 PRO 26 HG3 PRO 26 -5.124 -14.421 -14.706 202 HD2 PRO 26 HD2 PRO 26 -4.466 -11.520 -14.347 203 HD3 PRO 26 HD3 PRO 26 -6.053 -12.316 -14.416 204 H GLY 27 HN GLY 27 -3.444 -11.032 -12.000 205 HA2 GLY 27 HA1 GLY 27 -0.783 -11.358 -10.889 206 HA3 GLY 27 HA2 GLY 27 -1.532 -9.847 -11.374 207 H VAL 28 HN VAL 28 -3.750 -11.396 -9.497 208 HA VAL 28 HA VAL 28 -3.131 -9.673 -7.247 209 HB VAL 28 HB VAL 28 -5.531 -11.327 -7.998 210 HG11 VAL 28 HG11 VAL 28 -6.238 -9.938 -5.700 211 HG12 VAL 28 HG12 VAL 28 -6.023 -11.682 -5.853 212 HG13 VAL 28 HG13 VAL 28 -4.682 -10.672 -5.309 213 HG21 VAL 28 HG21 VAL 28 -5.947 -8.598 -7.137 214 HG22 VAL 28 HG22 VAL 28 -4.766 -8.698 -8.443 215 HG23 VAL 28 HG23 VAL 28 -6.379 -9.380 -8.660 216 H GLN 29 HN GLN 29 -2.151 -10.311 -5.453 217 HA GLN 29 HA GLN 29 -1.748 -13.170 -4.983 218 HB2 GLN 29 HB2 GLN 29 0.079 -11.271 -4.894 219 HB3 GLN 29 HB3 GLN 29 -0.547 -11.029 -3.270 220 HG2 GLN 29 HG2 GLN 29 -0.202 -13.708 -3.281 221 HG3 GLN 29 HG3 GLN 29 1.094 -13.199 -4.363 222 HE21 GLN 29 HE21 GLN 29 0.925 -14.244 -1.509 223 HE22 GLN 29 HE22 GLN 29 1.924 -13.147 -0.618 224 H SER 30 HN SER 30 -2.853 -10.244 -3.306 225 HA SER 30 HA SER 30 -4.922 -11.783 -1.987 226 HB2 SER 30 HB2 SER 30 -3.212 -10.087 -0.189 227 HB3 SER 30 HB3 SER 30 -4.300 -11.408 0.234 228 HG SER 30 HG SER 30 -2.653 -12.675 -1.123 229 H ALA 31 HN ALA 31 -6.719 -10.605 -2.225 230 HA ALA 31 HA ALA 31 -6.426 -7.669 -2.353 231 HB1 ALA 31 HB1 ALA 31 -7.510 -7.663 -4.288 232 HB2 ALA 31 HB2 ALA 31 -7.484 -9.426 -4.272 233 HB3 ALA 31 HB3 ALA 31 -8.858 -8.559 -3.586 234 H LEU 32 HN LEU 32 -7.156 -6.759 -0.551 235 HA LEU 32 HA LEU 32 -9.569 -7.894 0.704 236 HB2 LEU 32 HB2 LEU 32 -7.253 -6.420 1.962 237 HB3 LEU 32 HB3 LEU 32 -8.736 -6.817 2.808 238 HG LEU 32 HG LEU 32 -6.963 -8.912 1.564 239 HD11 LEU 32 HD11 LEU 32 -6.341 -9.267 4.055 240 HD12 LEU 32 HD12 LEU 32 -5.516 -8.015 3.127 241 HD13 LEU 32 HD13 LEU 32 -6.816 -7.578 4.234 242 HD21 LEU 32 HD21 LEU 32 -8.663 -9.473 3.902 243 HD22 LEU 32 HD22 LEU 32 -9.521 -9.121 2.403 244 HD23 LEU 32 HD23 LEU 32 -8.354 -10.441 2.461 245 H VAL 33 HN VAL 33 -11.156 -6.688 -0.190 246 HA VAL 33 HA VAL 33 -10.859 -3.784 -0.345 247 HB VAL 33 HB VAL 33 -13.400 -5.218 -1.034 248 HG11 VAL 33 HG11 VAL 33 -12.166 -2.621 -1.540 249 HG12 VAL 33 HG12 VAL 33 -12.871 -3.366 -2.975 250 HG13 VAL 33 HG13 VAL 33 -13.866 -3.090 -1.545 251 HG21 VAL 33 HG21 VAL 33 -12.576 -5.667 -3.285 252 HG22 VAL 33 HG22 VAL 33 -10.976 -5.083 -2.824 253 HG23 VAL 33 HG23 VAL 33 -11.629 -6.542 -2.082 254 H SER 34 HN SER 34 -11.842 -2.366 1.004 255 HA SER 34 HA SER 34 -13.146 -3.554 3.339 256 HB2 SER 34 HB2 SER 34 -11.650 -0.986 2.886 257 HB3 SER 34 HB3 SER 34 -12.689 -1.197 4.296 258 HG SER 34 HG SER 34 -11.337 -3.331 4.363 259 H TYR 35 HN TYR 35 -15.220 -3.571 3.361 260 HA TYR 35 HA TYR 35 -16.922 -2.066 1.701 261 HB2 TYR 35 HB2 TYR 35 -18.365 -3.636 2.320 262 HB3 TYR 35 HB3 TYR 35 -17.144 -4.284 3.397 263 HD1 TYR 35 HD1 TYR 35 -19.966 -1.882 3.234 264 HD2 TYR 35 HD2 TYR 35 -17.532 -4.323 5.727 265 HE1 TYR 35 HE1 TYR 35 -21.447 -1.405 5.132 266 HE2 TYR 35 HE2 TYR 35 -19.018 -3.863 7.635 267 HH TYR 35 HH TYR 35 -21.857 -1.735 7.278 268 HA PRO 36 HA PRO 36 -17.935 0.677 5.500 269 HB2 PRO 36 HB2 PRO 36 -16.197 0.874 7.545 270 HB3 PRO 36 HB3 PRO 36 -17.419 -0.399 7.476 271 HG2 PRO 36 HG2 PRO 36 -14.515 -0.526 6.779 272 HG3 PRO 36 HG3 PRO 36 -15.495 -1.687 7.694 273 HD2 PRO 36 HD2 PRO 36 -14.866 -2.002 5.059 274 HD3 PRO 36 HD3 PRO 36 -16.345 -2.653 5.795 275 H LYS 37 HN LYS 37 -14.814 0.422 4.092 276 HA LYS 37 HA LYS 37 -14.180 3.222 4.642 277 HB2 LYS 37 HB2 LYS 37 -12.636 0.801 4.303 278 HB3 LYS 37 HB3 LYS 37 -12.087 2.048 3.193 279 HG2 LYS 37 HG2 LYS 37 -12.519 3.077 5.867 280 HG3 LYS 37 HG3 LYS 37 -11.346 1.757 5.831 281 HD2 LYS 37 HD2 LYS 37 -10.066 2.902 4.123 282 HD3 LYS 37 HD3 LYS 37 -11.275 4.188 4.054 283 HE2 LYS 37 HE2 LYS 37 -10.619 5.098 6.057 284 HE3 LYS 37 HE3 LYS 37 -10.004 3.565 6.674 285 HZ1 LYS 37 HZ1 LYS 37 -8.713 5.335 4.670 286 HZ2 LYS 37 HZ2 LYS 37 -8.161 3.776 5.044 287 HZ3 LYS 37 HZ3 LYS 37 -8.165 4.984 6.237 288 H GLY 38 HN GLY 38 -15.131 1.034 2.132 289 HA2 GLY 38 HA1 GLY 38 -15.703 1.411 -0.066 290 HA3 GLY 38 HA2 GLY 38 -15.537 3.136 0.244 291 H THR 39 HN THR 39 -13.017 0.809 0.873 292 HA THR 39 HA THR 39 -11.536 1.770 -1.477 293 HB THR 39 HB THR 39 -9.758 1.425 0.779 294 HG1 THR 39 HG1 THR 39 -10.478 3.505 1.746 295 HG21 THR 39 HG21 THR 39 -10.289 3.903 -0.843 296 HG22 THR 39 HG22 THR 39 -9.333 2.550 -1.441 297 HG23 THR 39 HG23 THR 39 -8.799 3.443 -0.018 298 H ALA 40 HN ALA 40 -9.693 0.448 -2.030 299 HA ALA 40 HA ALA 40 -10.017 -2.335 -1.114 300 HB1 ALA 40 HB1 ALA 40 -8.632 -2.347 -3.550 301 HB2 ALA 40 HB2 ALA 40 -10.295 -2.855 -3.257 302 HB3 ALA 40 HB3 ALA 40 -9.952 -1.196 -3.752 303 H GLN 41 HN GLN 41 -8.354 -3.215 -0.095 304 HA GLN 41 HA GLN 41 -5.701 -1.952 -0.356 305 HB2 GLN 41 HB2 GLN 41 -6.943 -3.490 1.934 306 HB3 GLN 41 HB3 GLN 41 -5.234 -3.079 1.860 307 HG2 GLN 41 HG2 GLN 41 -5.752 -1.199 2.903 308 HG3 GLN 41 HG3 GLN 41 -6.516 -0.676 1.404 309 HE21 GLN 41 HE21 GLN 41 -8.302 -3.222 2.288 310 HE22 GLN 41 HE22 GLN 41 -9.511 -2.437 3.248 311 H LEU 42 HN LEU 42 -4.753 -3.120 -1.964 312 HA LEU 42 HA LEU 42 -4.975 -6.051 -1.742 313 HB2 LEU 42 HB2 LEU 42 -4.272 -5.782 -4.300 314 HB3 LEU 42 HB3 LEU 42 -5.939 -5.802 -3.763 315 HG LEU 42 HG LEU 42 -4.939 -3.112 -3.676 316 HD11 LEU 42 HD11 LEU 42 -5.039 -3.505 -6.459 317 HD12 LEU 42 HD12 LEU 42 -3.677 -2.951 -5.486 318 HD13 LEU 42 HD13 LEU 42 -3.880 -4.671 -5.820 319 HD21 LEU 42 HD21 LEU 42 -6.820 -2.848 -5.362 320 HD22 LEU 42 HD22 LEU 42 -7.098 -4.578 -5.161 321 HD23 LEU 42 HD23 LEU 42 -7.255 -3.494 -3.778 322 H ALA 43 HN ALA 43 -3.246 -7.332 -2.237 323 HA ALA 43 HA ALA 43 -0.633 -6.014 -2.578 324 HB1 ALA 43 HB1 ALA 43 -1.453 -7.876 -0.590 325 HB2 ALA 43 HB2 ALA 43 -0.322 -8.701 -1.663 326 HB3 ALA 43 HB3 ALA 43 0.154 -7.205 -0.857 327 H ILE 44 HN ILE 44 -0.049 -6.243 -4.644 328 HA ILE 44 HA ILE 44 -0.915 -8.678 -6.057 329 HB ILE 44 HB ILE 44 -0.782 -7.213 -8.149 330 HG12 ILE 44 HG12 ILE 44 -1.545 -4.811 -6.734 331 HG13 ILE 44 HG13 ILE 44 0.076 -5.312 -6.262 332 HG21 ILE 44 HG21 ILE 44 -3.076 -6.348 -7.792 333 HG22 ILE 44 HG22 ILE 44 -2.878 -8.031 -7.304 334 HG23 ILE 44 HG23 ILE 44 -2.930 -6.760 -6.082 335 HD11 ILE 44 HD11 ILE 44 -0.940 -4.534 -8.963 336 HD12 ILE 44 HD12 ILE 44 0.435 -3.896 -8.059 337 HD13 ILE 44 HD13 ILE 44 0.524 -5.503 -8.781 338 H VAL 45 HN VAL 45 0.422 -9.229 -7.950 339 HA VAL 45 HA VAL 45 3.208 -9.252 -7.294 340 HB VAL 45 HB VAL 45 1.940 -10.040 -9.929 341 HG11 VAL 45 HG11 VAL 45 4.031 -11.761 -9.362 342 HG12 VAL 45 HG12 VAL 45 4.061 -10.414 -10.501 343 HG13 VAL 45 HG13 VAL 45 4.629 -10.183 -8.848 344 HG21 VAL 45 HG21 VAL 45 1.497 -11.176 -7.361 345 HG22 VAL 45 HG22 VAL 45 0.915 -11.734 -8.929 346 HG23 VAL 45 HG23 VAL 45 2.463 -12.310 -8.308 347 HA PRO 46 HA PRO 46 4.150 -5.325 -9.157 348 HB2 PRO 46 HB2 PRO 46 6.857 -5.541 -9.177 349 HB3 PRO 46 HB3 PRO 46 5.926 -5.240 -7.705 350 HG2 PRO 46 HG2 PRO 46 7.041 -7.818 -8.742 351 HG3 PRO 46 HG3 PRO 46 7.072 -7.169 -7.092 352 HD2 PRO 46 HD2 PRO 46 5.292 -9.043 -7.863 353 HD3 PRO 46 HD3 PRO 46 4.892 -7.794 -6.669 354 H GLY 47 HN GLY 47 3.386 -7.359 -10.988 355 HA2 GLY 47 HA1 GLY 47 5.065 -6.531 -13.268 356 HA3 GLY 47 HA2 GLY 47 4.369 -8.148 -13.167 357 H THR 48 HN THR 48 1.921 -7.352 -12.001 358 HA THR 48 HA THR 48 0.425 -6.404 -14.243 359 HB THR 48 HB THR 48 -1.133 -6.261 -11.880 360 HG1 THR 48 HG1 THR 48 0.376 -7.452 -10.739 361 HG21 THR 48 HG21 THR 48 -0.900 -8.094 -14.225 362 HG22 THR 48 HG22 THR 48 -2.235 -7.044 -13.747 363 HG23 THR 48 HG23 THR 48 -1.945 -8.552 -12.880 364 H SER 49 HN SER 49 -0.167 -4.368 -14.691 365 HA SER 49 HA SER 49 0.704 -2.249 -12.984 366 HB2 SER 49 HB2 SER 49 -1.120 -1.604 -15.216 367 HB3 SER 49 HB3 SER 49 0.454 -0.915 -14.813 368 HG SER 49 HG SER 49 1.455 -2.676 -15.767 369 HA PRO 50 HA PRO 50 -3.095 -2.331 -10.649 370 HB2 PRO 50 HB2 PRO 50 -2.635 -0.097 -9.152 371 HB3 PRO 50 HB3 PRO 50 -1.897 -1.665 -8.812 372 HG2 PRO 50 HG2 PRO 50 -0.744 0.708 -10.223 373 HG3 PRO 50 HG3 PRO 50 0.020 -0.377 -9.047 374 HD2 PRO 50 HD2 PRO 50 0.443 -0.576 -11.719 375 HD3 PRO 50 HD3 PRO 50 0.470 -1.985 -10.638 376 H ASP 51 HN ASP 51 -2.059 0.067 -12.788 377 HA ASP 51 HA ASP 51 -4.305 1.816 -12.621 378 HB2 ASP 51 HB2 ASP 51 -2.309 2.711 -13.561 379 HB3 ASP 51 HB3 ASP 51 -2.126 1.350 -14.658 380 H ALA 52 HN ALA 52 -3.554 -1.201 -14.067 381 HA ALA 52 HA ALA 52 -5.610 -1.113 -16.068 382 HB1 ALA 52 HB1 ALA 52 -4.900 -3.789 -15.633 383 HB2 ALA 52 HB2 ALA 52 -4.329 -2.720 -16.914 384 HB3 ALA 52 HB3 ALA 52 -3.424 -2.849 -15.406 385 H LEU 53 HN LEU 53 -5.246 -2.277 -12.820 386 HA LEU 53 HA LEU 53 -7.704 -3.710 -12.679 387 HB2 LEU 53 HB2 LEU 53 -6.294 -2.404 -10.358 388 HB3 LEU 53 HB3 LEU 53 -7.334 -3.815 -10.334 389 HG LEU 53 HG LEU 53 -4.652 -3.782 -11.714 390 HD11 LEU 53 HD11 LEU 53 -4.220 -5.293 -9.541 391 HD12 LEU 53 HD12 LEU 53 -3.842 -3.572 -9.619 392 HD13 LEU 53 HD13 LEU 53 -5.342 -4.111 -8.864 393 HD21 LEU 53 HD21 LEU 53 -4.903 -6.050 -11.990 394 HD22 LEU 53 HD22 LEU 53 -6.055 -6.195 -10.661 395 HD23 LEU 53 HD23 LEU 53 -6.563 -5.492 -12.196 396 H THR 54 HN THR 54 -6.641 -0.463 -11.851 397 HA THR 54 HA THR 54 -9.014 0.609 -10.894 398 HB THR 54 HB THR 54 -6.980 2.039 -12.613 399 HG1 THR 54 HG1 THR 54 -5.877 1.054 -10.923 400 HG21 THR 54 HG21 THR 54 -8.921 3.401 -12.235 401 HG22 THR 54 HG22 THR 54 -7.626 3.990 -11.193 402 HG23 THR 54 HG23 THR 54 -8.921 3.005 -10.516 403 H ALA 55 HN ALA 55 -7.772 0.550 -14.233 404 HA ALA 55 HA ALA 55 -10.060 1.742 -15.392 405 HB1 ALA 55 HB1 ALA 55 -9.154 0.985 -17.525 406 HB2 ALA 55 HB2 ALA 55 -7.886 1.680 -16.516 407 HB3 ALA 55 HB3 ALA 55 -8.021 -0.070 -16.682 408 H ALA 56 HN ALA 56 -9.223 -1.581 -14.644 409 HA ALA 56 HA ALA 56 -11.311 -2.830 -16.072 410 HB1 ALA 56 HB1 ALA 56 -9.448 -4.119 -15.234 411 HB2 ALA 56 HB2 ALA 56 -9.887 -3.732 -13.572 412 HB3 ALA 56 HB3 ALA 56 -10.950 -4.743 -14.550 413 H VAL 57 HN VAL 57 -11.143 -1.621 -12.731 414 HA VAL 57 HA VAL 57 -13.791 -2.420 -12.066 415 HB VAL 57 HB VAL 57 -12.084 -0.315 -10.757 416 HG11 VAL 57 HG11 VAL 57 -13.972 -1.670 -9.049 417 HG12 VAL 57 HG12 VAL 57 -13.729 0.058 -9.305 418 HG13 VAL 57 HG13 VAL 57 -14.789 -0.852 -10.383 419 HG21 VAL 57 HG21 VAL 57 -12.042 -2.402 -9.065 420 HG22 VAL 57 HG22 VAL 57 -12.139 -3.257 -10.604 421 HG23 VAL 57 HG23 VAL 57 -10.818 -2.128 -10.305 422 H ALA 58 HN ALA 58 -12.378 0.633 -13.230 423 HA ALA 58 HA ALA 58 -14.779 2.116 -13.164 424 HB1 ALA 58 HB1 ALA 58 -13.199 3.010 -15.343 425 HB2 ALA 58 HB2 ALA 58 -13.359 3.729 -13.741 426 HB3 ALA 58 HB3 ALA 58 -12.107 2.526 -14.046 427 H GLY 59 HN GLY 59 -13.508 -0.211 -15.410 428 HA2 GLY 59 HA1 GLY 59 -15.514 0.388 -17.428 429 HA3 GLY 59 HA2 GLY 59 -14.279 -0.858 -17.522 430 H LEU 60 HN LEU 60 -15.873 -0.949 -14.558 431 HA LEU 60 HA LEU 60 -17.467 -3.225 -15.451 432 HB2 LEU 60 HB2 LEU 60 -16.052 -2.523 -13.026 433 HB3 LEU 60 HB3 LEU 60 -17.683 -3.066 -12.693 434 HG LEU 60 HG LEU 60 -16.057 -4.734 -14.529 435 HD11 LEU 60 HD11 LEU 60 -15.659 -5.186 -11.624 436 HD12 LEU 60 HD12 LEU 60 -14.613 -5.578 -12.989 437 HD13 LEU 60 HD13 LEU 60 -14.713 -3.919 -12.402 438 HD21 LEU 60 HD21 LEU 60 -17.315 -6.498 -13.606 439 HD22 LEU 60 HD22 LEU 60 -17.778 -5.540 -12.201 440 HD23 LEU 60 HD23 LEU 60 -18.450 -5.161 -13.786 441 H GLY 61 HN GLY 61 -17.931 -0.114 -15.302 442 HA2 GLY 61 HA1 GLY 61 -20.103 0.843 -15.633 443 HA3 GLY 61 HA2 GLY 61 -20.767 -0.385 -14.565 444 H TYR 62 HN TYR 62 -18.113 0.394 -12.992 445 HA TYR 62 HA TYR 62 -19.414 2.527 -11.450 446 HB2 TYR 62 HB2 TYR 62 -17.078 0.880 -10.507 447 HB3 TYR 62 HB3 TYR 62 -18.245 1.769 -9.546 448 HD1 TYR 62 HD2 TYR 62 -20.711 0.890 -9.682 449 HD2 TYR 62 HD1 TYR 62 -17.292 -1.424 -10.718 450 HE1 TYR 62 HE2 TYR 62 -22.020 -1.170 -9.378 451 HE2 TYR 62 HE1 TYR 62 -18.597 -3.490 -10.428 452 HH TYR 62 HH TYR 62 -20.811 -4.274 -10.359 453 H LYS 63 HN LYS 63 -17.037 3.294 -10.058 454 HA LYS 63 HA LYS 63 -15.122 4.002 -12.145 455 HB2 LYS 63 HB2 LYS 63 -16.766 5.914 -11.720 456 HB3 LYS 63 HB3 LYS 63 -16.035 6.046 -10.125 457 HG2 LYS 63 HG2 LYS 63 -13.832 6.076 -11.682 458 HG3 LYS 63 HG3 LYS 63 -15.000 6.855 -12.753 459 HD2 LYS 63 HD2 LYS 63 -15.404 8.590 -11.230 460 HD3 LYS 63 HD3 LYS 63 -14.691 7.695 -9.886 461 HE2 LYS 63 HE2 LYS 63 -12.545 8.190 -10.521 462 HE3 LYS 63 HE3 LYS 63 -12.976 8.354 -12.222 463 HZ1 LYS 63 HZ1 LYS 63 -13.359 10.520 -11.983 464 HZ2 LYS 63 HZ2 LYS 63 -12.537 10.403 -10.503 465 HZ3 LYS 63 HZ3 LYS 63 -14.229 10.313 -10.541 466 H ALA 64 HN ALA 64 -13.067 3.759 -11.482 467 HA ALA 64 HA ALA 64 -12.638 3.401 -8.590 468 HB1 ALA 64 HB1 ALA 64 -12.144 1.298 -9.238 469 HB2 ALA 64 HB2 ALA 64 -11.787 1.772 -10.898 470 HB3 ALA 64 HB3 ALA 64 -10.586 2.023 -9.631 471 H THR 65 HN THR 65 -10.790 4.245 -7.698 472 HA THR 65 HA THR 65 -9.030 5.801 -9.469 473 HB THR 65 HB THR 65 -8.933 6.995 -6.908 474 HG1 THR 65 HG1 THR 65 -11.480 6.129 -7.622 475 HG21 THR 65 HG21 THR 65 -8.548 8.453 -8.621 476 HG22 THR 65 HG22 THR 65 -10.248 8.822 -8.333 477 HG23 THR 65 HG23 THR 65 -9.791 7.745 -9.651 478 H LEU 66 HN LEU 66 -7.005 6.424 -7.759 479 HA LEU 66 HA LEU 66 -6.306 4.036 -6.265 480 HB2 LEU 66 HB2 LEU 66 -4.280 3.576 -7.526 481 HB3 LEU 66 HB3 LEU 66 -5.693 3.423 -8.550 482 HG LEU 66 HG LEU 66 -4.480 6.083 -8.658 483 HD11 LEU 66 HD11 LEU 66 -2.891 4.007 -10.066 484 HD12 LEU 66 HD12 LEU 66 -2.417 5.608 -9.497 485 HD13 LEU 66 HD13 LEU 66 -2.574 4.275 -8.352 486 HD21 LEU 66 HD21 LEU 66 -5.998 4.310 -10.286 487 HD22 LEU 66 HD22 LEU 66 -5.601 6.005 -10.569 488 HD23 LEU 66 HD23 LEU 66 -4.520 4.737 -11.149 489 H ALA 67 HN ALA 67 -4.992 4.477 -4.617 490 HA ALA 67 HA ALA 67 -3.250 6.805 -4.684 491 HB1 ALA 67 HB1 ALA 67 -4.430 7.318 -2.297 492 HB2 ALA 67 HB2 ALA 67 -4.833 8.146 -3.801 493 HB3 ALA 67 HB3 ALA 67 -5.818 6.791 -3.248 494 H ASP 68 HN ASP 68 -2.403 7.006 -2.191 495 HA ASP 68 HA ASP 68 -2.308 4.516 -0.815 496 HB2 ASP 68 HB2 ASP 68 -0.465 4.550 -2.722 497 HB3 ASP 68 HB3 ASP 68 0.416 5.491 -1.520 498 H ALA 69 HN ALA 69 -1.601 4.710 1.286 499 HA ALA 69 HA ALA 69 -0.416 7.046 2.364 500 HB1 ALA 69 HB1 ALA 69 -2.486 7.688 3.728 501 HB2 ALA 69 HB2 ALA 69 -2.443 8.195 2.039 502 HB3 ALA 69 HB3 ALA 69 -3.411 6.800 2.517 Start of MODEL 15 1 H1 MET 1 H1 MET 1 2.572 -1.661 -1.265 2 H2 MET 1 H2 MET 1 3.631 -0.732 -0.331 3 H3 MET 1 H3 MET 1 3.122 -0.171 -1.850 4 HA MET 1 HA MET 1 1.689 -0.239 0.698 5 HB2 MET 1 HB2 MET 1 2.819 1.752 -0.743 6 HB3 MET 1 HB3 MET 1 1.192 1.788 -1.409 7 HG2 MET 1 HG2 MET 1 0.535 2.980 0.322 8 HG3 MET 1 HG3 MET 1 0.921 1.628 1.386 9 HE1 MET 1 HE1 MET 1 3.352 5.372 0.508 10 HE2 MET 1 HE2 MET 1 3.725 4.036 -0.583 11 HE3 MET 1 HE3 MET 1 2.074 4.645 -0.471 12 H THR 2 HN THR 2 0.898 0.203 -2.744 13 HA THR 2 HA THR 2 -0.844 -0.459 -4.026 14 HB THR 2 HB THR 2 -1.407 -2.961 -2.647 15 HG1 THR 2 HG1 THR 2 0.634 -3.055 -1.892 16 HG21 THR 2 HG21 THR 2 -0.875 -1.921 -5.314 17 HG22 THR 2 HG22 THR 2 -1.842 -3.309 -4.816 18 HG23 THR 2 HG23 THR 2 -0.100 -3.480 -5.027 19 H HIS 3 HN HIS 3 -2.264 1.210 -3.134 20 HA HIS 3 HA HIS 3 -4.580 -0.078 -1.846 21 HB2 HIS 3 HB2 HIS 3 -3.387 2.609 -1.284 22 HB3 HIS 3 HB3 HIS 3 -5.091 2.328 -1.014 23 HD1 HIS 3 HD1 HIS 3 -3.097 -0.635 -0.202 24 HD2 HIS 3 HD2 HIS 3 -4.300 2.845 1.743 25 HE1 HIS 3 HE1 HIS 3 -2.784 -1.082 2.255 26 HE2 HIS 3 HE2 HIS 3 -3.560 1.019 3.419 27 H LEU 4 HN LEU 4 -6.553 0.430 -2.661 28 HA LEU 4 HA LEU 4 -6.595 2.092 -5.097 29 HB2 LEU 4 HB2 LEU 4 -6.679 -0.458 -5.424 30 HB3 LEU 4 HB3 LEU 4 -8.283 -0.375 -4.721 31 HG LEU 4 HG LEU 4 -8.309 1.555 -6.731 32 HD11 LEU 4 HD11 LEU 4 -6.507 0.937 -7.975 33 HD12 LEU 4 HD12 LEU 4 -6.562 -0.738 -7.425 34 HD13 LEU 4 HD13 LEU 4 -7.705 -0.173 -8.643 35 HD21 LEU 4 HD21 LEU 4 -10.264 0.428 -6.553 36 HD22 LEU 4 HD22 LEU 4 -9.571 -0.501 -7.884 37 HD23 LEU 4 HD23 LEU 4 -9.471 -1.116 -6.235 38 H LYS 5 HN LYS 5 -8.638 3.125 -5.543 39 HA LYS 5 HA LYS 5 -10.236 3.455 -3.090 40 HB2 LYS 5 HB2 LYS 5 -8.842 5.424 -3.948 41 HB3 LYS 5 HB3 LYS 5 -9.995 5.516 -5.272 42 HG2 LYS 5 HG2 LYS 5 -11.802 5.731 -3.544 43 HG3 LYS 5 HG3 LYS 5 -10.521 5.897 -2.340 44 HD2 LYS 5 HD2 LYS 5 -10.071 8.009 -2.946 45 HD3 LYS 5 HD3 LYS 5 -10.190 7.637 -4.668 46 HE2 LYS 5 HE2 LYS 5 -12.459 8.050 -4.734 47 HE3 LYS 5 HE3 LYS 5 -12.671 7.735 -3.013 48 HZ1 LYS 5 HZ1 LYS 5 -12.864 10.003 -3.126 49 HZ2 LYS 5 HZ2 LYS 5 -11.707 10.171 -4.352 50 HZ3 LYS 5 HZ3 LYS 5 -11.216 9.844 -2.757 51 H ILE 6 HN ILE 6 -12.342 3.084 -3.172 52 HA ILE 6 HA ILE 6 -13.514 2.267 -5.731 53 HB ILE 6 HB ILE 6 -14.405 1.844 -2.872 54 HG12 ILE 6 HG12 ILE 6 -12.548 0.417 -3.510 55 HG13 ILE 6 HG13 ILE 6 -14.016 -0.550 -3.408 56 HG21 ILE 6 HG21 ILE 6 -15.771 0.444 -5.097 57 HG22 ILE 6 HG22 ILE 6 -16.389 0.964 -3.528 58 HG23 ILE 6 HG23 ILE 6 -16.175 2.140 -4.825 59 HD11 ILE 6 HD11 ILE 6 -12.805 -1.256 -5.322 60 HD12 ILE 6 HD12 ILE 6 -14.208 -0.355 -5.895 61 HD13 ILE 6 HD13 ILE 6 -12.615 0.402 -5.893 62 H THR 7 HN THR 7 -15.171 3.416 -6.671 63 HA THR 7 HA THR 7 -16.452 5.527 -5.102 64 HB THR 7 HB THR 7 -16.048 6.612 -7.674 65 HG1 THR 7 HG1 THR 7 -14.202 4.968 -7.503 66 HG21 THR 7 HG21 THR 7 -16.288 7.883 -5.600 67 HG22 THR 7 HG22 THR 7 -14.808 8.342 -6.444 68 HG23 THR 7 HG23 THR 7 -14.730 7.278 -5.039 69 H GLY 8 HN GLY 8 -18.542 5.957 -5.688 70 HA2 GLY 8 HA1 GLY 8 -20.299 6.090 -7.304 71 HA3 GLY 8 HA2 GLY 8 -19.545 4.769 -8.181 72 H MET 9 HN MET 9 -19.153 2.943 -6.144 73 HA MET 9 HA MET 9 -21.843 1.938 -5.886 74 HB2 MET 9 HB2 MET 9 -19.368 0.654 -4.744 75 HB3 MET 9 HB3 MET 9 -20.890 -0.104 -5.189 76 HG2 MET 9 HG2 MET 9 -20.468 0.084 -7.457 77 HG3 MET 9 HG3 MET 9 -19.190 1.273 -7.221 78 HE1 MET 9 HE1 MET 9 -17.232 0.507 -8.296 79 HE2 MET 9 HE2 MET 9 -16.646 0.644 -6.639 80 HE3 MET 9 HE3 MET 9 -16.183 -0.742 -7.627 81 H THR 10 HN THR 10 -22.931 1.491 -3.969 82 HA THR 10 HA THR 10 -22.541 3.385 -1.902 83 HB THR 10 HB THR 10 -24.240 1.111 -1.206 84 HG1 THR 10 HG1 THR 10 -25.095 0.832 -3.114 85 HG21 THR 10 HG21 THR 10 -25.731 3.460 -1.642 86 HG22 THR 10 HG22 THR 10 -24.180 3.971 -0.976 87 HG23 THR 10 HG23 THR 10 -25.173 2.807 -0.100 88 H CYS 11 HN CYS 11 -22.484 -0.195 -1.758 89 HA CYS 11 HA CYS 11 -20.206 -0.391 -0.114 90 HB2 CYS 11 HB2 CYS 11 -21.399 -1.017 1.998 91 HB3 CYS 11 HB3 CYS 11 -21.469 0.692 1.599 92 HG CYS 11 HG CYS 11 -24.048 -1.382 0.744 93 H ASP 12 HN ASP 12 -20.156 -2.589 1.000 94 HA ASP 12 HA ASP 12 -20.186 -4.895 0.653 95 HB2 ASP 12 HB2 ASP 12 -21.452 -4.479 2.628 96 HB3 ASP 12 HB3 ASP 12 -22.898 -4.103 1.696 97 H SER 13 HN SER 13 -20.327 -6.411 -0.754 98 HA SER 13 HA SER 13 -21.027 -7.757 -2.443 99 HB2 SER 13 HB2 SER 13 -23.496 -6.018 -2.693 100 HB3 SER 13 HB3 SER 13 -23.224 -7.562 -3.500 101 HG SER 13 HG SER 13 -23.383 -7.139 -0.690 102 H CYS 14 HN CYS 14 -21.584 -4.291 -2.961 103 HA CYS 14 HA CYS 14 -20.723 -4.241 -5.638 104 HB2 CYS 14 HB2 CYS 14 -20.518 -2.110 -3.493 105 HB3 CYS 14 HB3 CYS 14 -20.283 -1.821 -5.215 106 HG CYS 14 HG CYS 14 -22.915 -2.409 -5.921 107 H ALA 15 HN ALA 15 -19.004 -3.962 -2.568 108 HA ALA 15 HA ALA 15 -16.427 -3.664 -3.786 109 HB1 ALA 15 HB1 ALA 15 -15.697 -4.305 -1.372 110 HB2 ALA 15 HB2 ALA 15 -16.495 -2.758 -1.652 111 HB3 ALA 15 HB3 ALA 15 -17.409 -4.116 -0.995 112 H ALA 16 HN ALA 16 -18.488 -6.294 -2.939 113 HA ALA 16 HA ALA 16 -16.448 -8.289 -2.699 114 HB1 ALA 16 HB1 ALA 16 -19.118 -8.171 -2.053 115 HB2 ALA 16 HB2 ALA 16 -19.091 -9.270 -3.432 116 HB3 ALA 16 HB3 ALA 16 -18.110 -9.619 -2.009 117 H HIS 17 HN HIS 17 -18.767 -7.355 -5.211 118 HA HIS 17 HA HIS 17 -17.928 -9.240 -7.134 119 HB2 HIS 17 HB2 HIS 17 -19.857 -7.198 -6.977 120 HB3 HIS 17 HB3 HIS 17 -18.846 -6.795 -8.362 121 HD1 HIS 17 HD1 HIS 17 -21.867 -8.371 -7.801 122 HD2 HIS 17 HD2 HIS 17 -18.437 -9.546 -9.843 123 HE1 HIS 17 HE1 HIS 17 -22.603 -10.182 -9.385 124 HE2 HIS 17 HE2 HIS 17 -20.481 -11.000 -10.478 125 H VAL 18 HN VAL 18 -16.884 -5.946 -6.415 126 HA VAL 18 HA VAL 18 -15.080 -5.714 -8.578 127 HB VAL 18 HB VAL 18 -15.316 -4.296 -5.936 128 HG11 VAL 18 HG11 VAL 18 -13.247 -3.491 -6.013 129 HG12 VAL 18 HG12 VAL 18 -12.900 -4.547 -7.383 130 HG13 VAL 18 HG13 VAL 18 -13.509 -2.914 -7.659 131 HG21 VAL 18 HG21 VAL 18 -16.896 -3.412 -7.323 132 HG22 VAL 18 HG22 VAL 18 -15.525 -2.384 -7.741 133 HG23 VAL 18 HG23 VAL 18 -15.960 -3.739 -8.782 134 H LYS 19 HN LYS 19 -14.665 -6.789 -5.209 135 HA LYS 19 HA LYS 19 -11.925 -7.339 -5.329 136 HB2 LYS 19 HB2 LYS 19 -13.109 -7.328 -3.212 137 HB3 LYS 19 HB3 LYS 19 -14.108 -8.682 -3.724 138 HG2 LYS 19 HG2 LYS 19 -11.619 -9.727 -4.006 139 HG3 LYS 19 HG3 LYS 19 -11.390 -8.647 -2.631 140 HD2 LYS 19 HD2 LYS 19 -12.014 -10.822 -1.819 141 HD3 LYS 19 HD3 LYS 19 -13.346 -9.699 -1.537 142 HE2 LYS 19 HE2 LYS 19 -14.654 -11.199 -2.537 143 HE3 LYS 19 HE3 LYS 19 -13.876 -10.720 -4.047 144 HZ1 LYS 19 HZ1 LYS 19 -12.156 -12.465 -3.507 145 HZ2 LYS 19 HZ2 LYS 19 -13.697 -13.042 -3.925 146 HZ3 LYS 19 HZ3 LYS 19 -13.212 -13.016 -2.297 147 H GLU 20 HN GLU 20 -14.723 -9.327 -6.171 148 HA GLU 20 HA GLU 20 -13.307 -11.670 -6.808 149 HB2 GLU 20 HB2 GLU 20 -15.980 -10.845 -6.815 150 HB3 GLU 20 HB3 GLU 20 -15.642 -11.276 -8.486 151 HG2 GLU 20 HG2 GLU 20 -16.541 -13.163 -7.270 152 HG3 GLU 20 HG3 GLU 20 -14.882 -13.476 -7.772 153 H ALA 21 HN ALA 21 -14.293 -8.916 -8.782 154 HA ALA 21 HA ALA 21 -13.330 -9.923 -11.238 155 HB1 ALA 21 HB1 ALA 21 -14.405 -7.422 -10.243 156 HB2 ALA 21 HB2 ALA 21 -13.121 -7.169 -11.426 157 HB3 ALA 21 HB3 ALA 21 -14.530 -8.145 -11.846 158 H LEU 22 HN LEU 22 -11.859 -8.124 -8.626 159 HA LEU 22 HA LEU 22 -9.379 -7.602 -9.910 160 HB2 LEU 22 HB2 LEU 22 -10.342 -7.618 -7.079 161 HB3 LEU 22 HB3 LEU 22 -8.619 -7.551 -7.391 162 HG LEU 22 HG LEU 22 -10.490 -5.570 -8.655 163 HD11 LEU 22 HD11 LEU 22 -11.032 -4.914 -6.572 164 HD12 LEU 22 HD12 LEU 22 -9.680 -5.775 -5.836 165 HD13 LEU 22 HD13 LEU 22 -9.420 -4.199 -6.582 166 HD21 LEU 22 HD21 LEU 22 -8.585 -4.865 -9.560 167 HD22 LEU 22 HD22 LEU 22 -8.004 -4.471 -7.941 168 HD23 LEU 22 HD23 LEU 22 -7.665 -6.055 -8.639 169 H GLU 23 HN GLU 23 -10.494 -10.141 -7.713 170 HA GLU 23 HA GLU 23 -7.966 -11.466 -7.666 171 HB2 GLU 23 HB2 GLU 23 -10.706 -12.124 -6.654 172 HB3 GLU 23 HB3 GLU 23 -9.428 -13.336 -6.625 173 HG2 GLU 23 HG2 GLU 23 -8.030 -11.608 -5.402 174 HG3 GLU 23 HG3 GLU 23 -9.526 -10.697 -5.210 175 H LYS 24 HN LYS 24 -10.511 -11.400 -9.891 176 HA LYS 24 HA LYS 24 -10.118 -13.996 -11.031 177 HB2 LYS 24 HB2 LYS 24 -11.766 -11.678 -11.545 178 HB3 LYS 24 HB3 LYS 24 -11.043 -12.252 -13.041 179 HG2 LYS 24 HG2 LYS 24 -13.241 -13.243 -12.639 180 HG3 LYS 24 HG3 LYS 24 -11.964 -14.460 -12.684 181 HD2 LYS 24 HD2 LYS 24 -12.071 -14.848 -10.405 182 HD3 LYS 24 HD3 LYS 24 -12.803 -13.277 -10.069 183 HE2 LYS 24 HE2 LYS 24 -14.884 -14.060 -10.370 184 HE3 LYS 24 HE3 LYS 24 -14.425 -14.997 -11.794 185 HZ1 LYS 24 HZ1 LYS 24 -13.362 -16.590 -10.155 186 HZ2 LYS 24 HZ2 LYS 24 -15.056 -16.565 -10.194 187 HZ3 LYS 24 HZ3 LYS 24 -14.224 -15.777 -8.941 188 H VAL 25 HN VAL 25 -8.461 -11.010 -11.110 189 HA VAL 25 HA VAL 25 -6.851 -11.672 -13.429 190 HB VAL 25 HB VAL 25 -6.674 -9.460 -11.373 191 HG11 VAL 25 HG11 VAL 25 -4.433 -9.830 -12.054 192 HG12 VAL 25 HG12 VAL 25 -4.906 -10.041 -13.739 193 HG13 VAL 25 HG13 VAL 25 -5.010 -8.448 -12.986 194 HG21 VAL 25 HG21 VAL 25 -8.321 -9.766 -13.577 195 HG22 VAL 25 HG22 VAL 25 -7.981 -8.263 -12.719 196 HG23 VAL 25 HG23 VAL 25 -7.036 -8.698 -14.142 197 HA PRO 26 HA PRO 26 -4.384 -14.458 -10.968 198 HB2 PRO 26 HB2 PRO 26 -2.348 -14.755 -12.785 199 HB3 PRO 26 HB3 PRO 26 -3.883 -15.625 -12.855 200 HG2 PRO 26 HG2 PRO 26 -3.030 -13.169 -14.336 201 HG3 PRO 26 HG3 PRO 26 -3.926 -14.581 -14.929 202 HD2 PRO 26 HD2 PRO 26 -5.164 -12.276 -14.331 203 HD3 PRO 26 HD3 PRO 26 -5.927 -13.847 -14.011 204 H GLY 27 HN GLY 27 -3.227 -11.434 -12.237 205 HA2 GLY 27 HA1 GLY 27 -0.682 -11.460 -10.955 206 HA3 GLY 27 HA2 GLY 27 -1.505 -10.043 -11.596 207 H VAL 28 HN VAL 28 -3.864 -10.922 -9.805 208 HA VAL 28 HA VAL 28 -3.014 -9.317 -7.537 209 HB VAL 28 HB VAL 28 -5.723 -10.445 -8.269 210 HG11 VAL 28 HG11 VAL 28 -5.185 -8.319 -6.210 211 HG12 VAL 28 HG12 VAL 28 -6.677 -9.213 -6.504 212 HG13 VAL 28 HG13 VAL 28 -5.283 -10.030 -5.797 213 HG21 VAL 28 HG21 VAL 28 -4.415 -8.447 -9.532 214 HG22 VAL 28 HG22 VAL 28 -6.171 -8.541 -9.390 215 HG23 VAL 28 HG23 VAL 28 -5.248 -7.538 -8.270 216 H GLN 29 HN GLN 29 -2.386 -10.149 -5.666 217 HA GLN 29 HA GLN 29 -2.678 -13.020 -5.225 218 HB2 GLN 29 HB2 GLN 29 -1.058 -10.911 -3.788 219 HB3 GLN 29 HB3 GLN 29 -1.109 -12.603 -3.313 220 HG2 GLN 29 HG2 GLN 29 -0.076 -11.483 -5.905 221 HG3 GLN 29 HG3 GLN 29 0.873 -12.187 -4.597 222 HE21 GLN 29 HE21 GLN 29 -0.685 -12.775 -7.506 223 HE22 GLN 29 HE22 GLN 29 -0.628 -14.502 -7.483 224 H SER 30 HN SER 30 -3.659 -9.950 -3.876 225 HA SER 30 HA SER 30 -5.792 -11.248 -2.423 226 HB2 SER 30 HB2 SER 30 -4.220 -9.335 -0.762 227 HB3 SER 30 HB3 SER 30 -5.177 -10.728 -0.265 228 HG SER 30 HG SER 30 -3.433 -12.014 -1.273 229 H ALA 31 HN ALA 31 -7.450 -9.769 -1.815 230 HA ALA 31 HA ALA 31 -7.117 -6.982 -2.620 231 HB1 ALA 31 HB1 ALA 31 -9.493 -7.305 -3.742 232 HB2 ALA 31 HB2 ALA 31 -8.000 -7.576 -4.640 233 HB3 ALA 31 HB3 ALA 31 -8.890 -8.947 -3.975 234 H LEU 32 HN LEU 32 -7.234 -6.677 -0.328 235 HA LEU 32 HA LEU 32 -9.640 -7.481 1.056 236 HB2 LEU 32 HB2 LEU 32 -7.145 -6.020 1.843 237 HB3 LEU 32 HB3 LEU 32 -8.543 -6.018 2.900 238 HG LEU 32 HG LEU 32 -8.080 -8.714 2.176 239 HD11 LEU 32 HD11 LEU 32 -5.591 -7.737 3.456 240 HD12 LEU 32 HD12 LEU 32 -5.866 -9.150 2.437 241 HD13 LEU 32 HD13 LEU 32 -5.739 -7.549 1.708 242 HD21 LEU 32 HD21 LEU 32 -7.123 -7.942 4.804 243 HD22 LEU 32 HD22 LEU 32 -8.685 -7.219 4.422 244 HD23 LEU 32 HD23 LEU 32 -8.480 -8.971 4.352 245 H VAL 33 HN VAL 33 -10.917 -6.259 -0.607 246 HA VAL 33 HA VAL 33 -10.997 -3.405 -0.442 247 HB VAL 33 HB VAL 33 -13.293 -5.105 -1.388 248 HG11 VAL 33 HG11 VAL 33 -13.474 -2.595 -1.159 249 HG12 VAL 33 HG12 VAL 33 -12.282 -2.480 -2.455 250 HG13 VAL 33 HG13 VAL 33 -13.840 -3.251 -2.756 251 HG21 VAL 33 HG21 VAL 33 -12.018 -4.652 -3.685 252 HG22 VAL 33 HG22 VAL 33 -10.620 -4.757 -2.616 253 HG23 VAL 33 HG23 VAL 33 -11.749 -6.107 -2.726 254 H SER 34 HN SER 34 -11.812 -2.256 1.155 255 HA SER 34 HA SER 34 -13.454 -3.651 3.134 256 HB2 SER 34 HB2 SER 34 -12.102 -0.976 3.481 257 HB3 SER 34 HB3 SER 34 -12.689 -2.067 4.738 258 HG SER 34 HG SER 34 -10.678 -2.853 2.905 259 H TYR 35 HN TYR 35 -15.521 -3.439 2.896 260 HA TYR 35 HA TYR 35 -16.877 -1.466 1.450 261 HB2 TYR 35 HB2 TYR 35 -18.519 -2.942 1.681 262 HB3 TYR 35 HB3 TYR 35 -17.507 -3.862 2.779 263 HD1 TYR 35 HD1 TYR 35 -19.933 -1.018 2.765 264 HD2 TYR 35 HD2 TYR 35 -18.254 -4.269 4.930 265 HE1 TYR 35 HE1 TYR 35 -21.582 -0.671 4.553 266 HE2 TYR 35 HE2 TYR 35 -19.894 -3.928 6.726 267 HH TYR 35 HH TYR 35 -22.450 -2.762 6.685 268 HA PRO 36 HA PRO 36 -17.850 0.770 5.607 269 HB2 PRO 36 HB2 PRO 36 -15.687 0.132 7.455 270 HB3 PRO 36 HB3 PRO 36 -17.430 0.004 7.696 271 HG2 PRO 36 HG2 PRO 36 -15.807 -2.158 7.499 272 HG3 PRO 36 HG3 PRO 36 -17.501 -2.172 6.972 273 HD2 PRO 36 HD2 PRO 36 -15.006 -1.900 5.338 274 HD3 PRO 36 HD3 PRO 36 -16.481 -2.833 4.999 275 H LYS 37 HN LYS 37 -14.869 0.381 4.084 276 HA LYS 37 HA LYS 37 -13.868 2.980 5.020 277 HB2 LYS 37 HB2 LYS 37 -12.607 0.498 4.552 278 HB3 LYS 37 HB3 LYS 37 -12.050 1.580 3.283 279 HG2 LYS 37 HG2 LYS 37 -10.800 2.784 4.685 280 HG3 LYS 37 HG3 LYS 37 -12.027 2.768 5.954 281 HD2 LYS 37 HD2 LYS 37 -11.373 0.338 6.335 282 HD3 LYS 37 HD3 LYS 37 -9.969 0.670 5.319 283 HE2 LYS 37 HE2 LYS 37 -9.099 1.089 7.396 284 HE3 LYS 37 HE3 LYS 37 -9.665 2.699 6.950 285 HZ1 LYS 37 HZ1 LYS 37 -10.428 2.350 9.115 286 HZ2 LYS 37 HZ2 LYS 37 -10.924 0.758 8.798 287 HZ3 LYS 37 HZ3 LYS 37 -11.791 2.065 8.145 288 H GLY 38 HN GLY 38 -14.871 1.161 2.203 289 HA2 GLY 38 HA1 GLY 38 -15.484 1.923 0.100 290 HA3 GLY 38 HA2 GLY 38 -15.063 3.556 0.603 291 H THR 39 HN THR 39 -12.778 1.049 1.155 292 HA THR 39 HA THR 39 -11.170 1.990 -1.125 293 HB THR 39 HB THR 39 -9.443 1.440 1.096 294 HG1 THR 39 HG1 THR 39 -10.183 2.862 2.603 295 HG21 THR 39 HG21 THR 39 -8.357 2.982 -0.092 296 HG22 THR 39 HG22 THR 39 -9.470 4.196 0.540 297 HG23 THR 39 HG23 THR 39 -9.824 3.383 -0.985 298 H ALA 40 HN ALA 40 -9.359 0.544 -1.668 299 HA ALA 40 HA ALA 40 -9.974 -2.242 -0.927 300 HB1 ALA 40 HB1 ALA 40 -8.850 -1.344 -3.572 301 HB2 ALA 40 HB2 ALA 40 -9.448 -2.945 -3.137 302 HB3 ALA 40 HB3 ALA 40 -10.570 -1.592 -3.272 303 H GLN 41 HN GLN 41 -8.424 -3.121 0.242 304 HA GLN 41 HA GLN 41 -5.672 -2.178 -0.038 305 HB2 GLN 41 HB2 GLN 41 -7.078 -3.904 1.997 306 HB3 GLN 41 HB3 GLN 41 -5.325 -3.781 1.941 307 HG2 GLN 41 HG2 GLN 41 -5.706 -2.147 3.446 308 HG3 GLN 41 HG3 GLN 41 -5.918 -1.182 1.983 309 HE21 GLN 41 HE21 GLN 41 -7.578 -2.927 4.523 310 HE22 GLN 41 HE22 GLN 41 -9.091 -2.094 4.364 311 H LEU 42 HN LEU 42 -5.657 -3.135 -2.209 312 HA LEU 42 HA LEU 42 -5.594 -6.040 -2.277 313 HB2 LEU 42 HB2 LEU 42 -5.727 -5.922 -4.635 314 HB3 LEU 42 HB3 LEU 42 -6.879 -4.777 -3.997 315 HG LEU 42 HG LEU 42 -6.012 -3.659 -5.818 316 HD11 LEU 42 HD11 LEU 42 -4.394 -2.802 -3.450 317 HD12 LEU 42 HD12 LEU 42 -4.340 -1.955 -4.996 318 HD13 LEU 42 HD13 LEU 42 -5.861 -2.076 -4.107 319 HD21 LEU 42 HD21 LEU 42 -3.170 -3.819 -5.542 320 HD22 LEU 42 HD22 LEU 42 -3.868 -5.439 -5.573 321 HD23 LEU 42 HD23 LEU 42 -4.198 -4.311 -6.887 322 H ALA 43 HN ALA 43 -3.861 -7.129 -3.448 323 HA ALA 43 HA ALA 43 -1.297 -5.720 -3.441 324 HB1 ALA 43 HB1 ALA 43 -0.505 -6.814 -1.677 325 HB2 ALA 43 HB2 ALA 43 -2.064 -7.611 -1.464 326 HB3 ALA 43 HB3 ALA 43 -0.824 -8.352 -2.479 327 H ILE 44 HN ILE 44 -0.256 -6.096 -5.277 328 HA ILE 44 HA ILE 44 -1.086 -8.413 -6.897 329 HB ILE 44 HB ILE 44 -0.036 -6.884 -8.783 330 HG12 ILE 44 HG12 ILE 44 -1.130 -4.501 -7.983 331 HG13 ILE 44 HG13 ILE 44 -0.392 -5.074 -6.491 332 HG21 ILE 44 HG21 ILE 44 -2.234 -6.195 -9.390 333 HG22 ILE 44 HG22 ILE 44 -2.372 -7.762 -8.589 334 HG23 ILE 44 HG23 ILE 44 -2.786 -6.284 -7.718 335 HD11 ILE 44 HD11 ILE 44 1.499 -5.473 -8.536 336 HD12 ILE 44 HD12 ILE 44 0.830 -3.855 -8.752 337 HD13 ILE 44 HD13 ILE 44 1.548 -4.312 -7.209 338 H VAL 45 HN VAL 45 0.611 -9.136 -8.466 339 HA VAL 45 HA VAL 45 3.199 -9.340 -7.167 340 HB VAL 45 HB VAL 45 2.445 -10.378 -9.905 341 HG11 VAL 45 HG11 VAL 45 4.886 -10.252 -8.850 342 HG12 VAL 45 HG12 VAL 45 4.357 -11.770 -8.124 343 HG13 VAL 45 HG13 VAL 45 4.365 -11.587 -9.880 344 HG21 VAL 45 HG21 VAL 45 0.846 -11.193 -8.209 345 HG22 VAL 45 HG22 VAL 45 1.841 -12.481 -8.887 346 HG23 VAL 45 HG23 VAL 45 2.199 -11.843 -7.282 347 HA PRO 46 HA PRO 46 5.007 -5.697 -9.040 348 HB2 PRO 46 HB2 PRO 46 7.347 -7.566 -9.077 349 HB3 PRO 46 HB3 PRO 46 7.271 -5.874 -8.569 350 HG2 PRO 46 HG2 PRO 46 7.307 -7.819 -6.761 351 HG3 PRO 46 HG3 PRO 46 6.284 -6.391 -6.533 352 HD2 PRO 46 HD2 PRO 46 5.522 -9.166 -7.273 353 HD3 PRO 46 HD3 PRO 46 4.605 -7.940 -6.375 354 H GLY 47 HN GLY 47 4.284 -5.426 -11.062 355 HA2 GLY 47 HA1 GLY 47 5.294 -5.767 -13.414 356 HA3 GLY 47 HA2 GLY 47 4.895 -7.454 -13.095 357 H THR 48 HN THR 48 2.501 -7.059 -11.689 358 HA THR 48 HA THR 48 0.662 -6.446 -13.806 359 HB THR 48 HB THR 48 -0.222 -6.725 -10.964 360 HG1 THR 48 HG1 THR 48 1.028 -8.691 -12.564 361 HG21 THR 48 HG21 THR 48 -1.946 -6.399 -12.608 362 HG22 THR 48 HG22 THR 48 -2.009 -8.079 -12.079 363 HG23 THR 48 HG23 THR 48 -1.277 -7.671 -13.631 364 H SER 49 HN SER 49 -0.041 -4.519 -14.310 365 HA SER 49 HA SER 49 0.711 -2.299 -12.651 366 HB2 SER 49 HB2 SER 49 -0.787 -1.877 -15.178 367 HB3 SER 49 HB3 SER 49 0.639 -1.043 -14.559 368 HG SER 49 HG SER 49 1.800 -3.045 -15.026 369 HA PRO 50 HA PRO 50 -3.298 -2.057 -10.727 370 HB2 PRO 50 HB2 PRO 50 -2.361 0.594 -9.831 371 HB3 PRO 50 HB3 PRO 50 -2.852 -0.802 -8.867 372 HG2 PRO 50 HG2 PRO 50 -0.286 -0.063 -9.036 373 HG3 PRO 50 HG3 PRO 50 -0.750 -1.776 -8.971 374 HD2 PRO 50 HD2 PRO 50 0.039 -0.112 -11.341 375 HD3 PRO 50 HD3 PRO 50 0.516 -1.773 -10.924 376 H ASP 51 HN ASP 51 -2.073 -0.029 -13.112 377 HA ASP 51 HA ASP 51 -4.233 1.826 -13.294 378 HB2 ASP 51 HB2 ASP 51 -2.360 2.639 -14.378 379 HB3 ASP 51 HB3 ASP 51 -1.873 1.053 -14.955 380 H ALA 52 HN ALA 52 -3.531 -1.377 -14.304 381 HA ALA 52 HA ALA 52 -5.624 -1.578 -16.249 382 HB1 ALA 52 HB1 ALA 52 -4.918 -3.726 -16.618 383 HB2 ALA 52 HB2 ALA 52 -3.445 -3.029 -15.945 384 HB3 ALA 52 HB3 ALA 52 -4.510 -3.997 -14.924 385 H LEU 53 HN LEU 53 -5.216 -2.259 -12.854 386 HA LEU 53 HA LEU 53 -7.708 -3.574 -12.479 387 HB2 LEU 53 HB2 LEU 53 -6.240 -2.021 -10.362 388 HB3 LEU 53 HB3 LEU 53 -7.267 -3.427 -10.162 389 HG LEU 53 HG LEU 53 -4.593 -3.492 -11.550 390 HD11 LEU 53 HD11 LEU 53 -4.118 -2.929 -9.310 391 HD12 LEU 53 HD12 LEU 53 -5.338 -4.044 -8.692 392 HD13 LEU 53 HD13 LEU 53 -3.868 -4.670 -9.442 393 HD21 LEU 53 HD21 LEU 53 -6.189 -5.259 -12.184 394 HD22 LEU 53 HD22 LEU 53 -4.780 -5.887 -11.332 395 HD23 LEU 53 HD23 LEU 53 -6.319 -5.722 -10.488 396 H THR 54 HN THR 54 -6.571 -0.252 -12.045 397 HA THR 54 HA THR 54 -8.950 0.934 -11.213 398 HB THR 54 HB THR 54 -6.902 2.164 -13.078 399 HG1 THR 54 HG1 THR 54 -5.866 1.365 -11.222 400 HG21 THR 54 HG21 THR 54 -7.797 4.075 -11.289 401 HG22 THR 54 HG22 THR 54 -9.258 3.180 -11.708 402 HG23 THR 54 HG23 THR 54 -8.284 3.923 -12.978 403 H ALA 55 HN ALA 55 -7.716 0.403 -14.505 404 HA ALA 55 HA ALA 55 -9.983 1.436 -15.837 405 HB1 ALA 55 HB1 ALA 55 -9.055 0.499 -17.826 406 HB2 ALA 55 HB2 ALA 55 -7.711 1.079 -16.840 407 HB3 ALA 55 HB3 ALA 55 -8.082 -0.646 -16.901 408 H ALA 56 HN ALA 56 -9.185 -1.753 -14.603 409 HA ALA 56 HA ALA 56 -11.290 -3.182 -15.808 410 HB1 ALA 56 HB1 ALA 56 -10.948 -4.510 -13.468 411 HB2 ALA 56 HB2 ALA 56 -9.922 -4.711 -14.888 412 HB3 ALA 56 HB3 ALA 56 -9.425 -3.630 -13.587 413 H VAL 57 HN VAL 57 -11.125 -1.513 -12.664 414 HA VAL 57 HA VAL 57 -13.820 -2.146 -11.977 415 HB VAL 57 HB VAL 57 -12.122 0.069 -10.858 416 HG11 VAL 57 HG11 VAL 57 -13.909 0.589 -9.654 417 HG12 VAL 57 HG12 VAL 57 -14.816 -0.749 -10.360 418 HG13 VAL 57 HG13 VAL 57 -13.835 -1.012 -8.918 419 HG21 VAL 57 HG21 VAL 57 -12.169 -2.013 -9.030 420 HG22 VAL 57 HG22 VAL 57 -11.915 -2.807 -10.584 421 HG23 VAL 57 HG23 VAL 57 -10.810 -1.542 -10.049 422 H ALA 58 HN ALA 58 -12.254 0.733 -13.395 423 HA ALA 58 HA ALA 58 -14.613 2.272 -13.602 424 HB1 ALA 58 HB1 ALA 58 -13.320 3.799 -14.642 425 HB2 ALA 58 HB2 ALA 58 -12.008 2.765 -14.075 426 HB3 ALA 58 HB3 ALA 58 -12.601 2.611 -15.729 427 H GLY 59 HN GLY 59 -13.393 -0.388 -15.438 428 HA2 GLY 59 HA1 GLY 59 -15.265 0.040 -17.634 429 HA3 GLY 59 HA2 GLY 59 -14.073 -1.248 -17.515 430 H LEU 60 HN LEU 60 -15.738 -0.896 -14.637 431 HA LEU 60 HA LEU 60 -17.545 -3.103 -15.284 432 HB2 LEU 60 HB2 LEU 60 -16.073 -2.262 -12.929 433 HB3 LEU 60 HB3 LEU 60 -17.752 -2.598 -12.567 434 HG LEU 60 HG LEU 60 -16.252 -4.616 -14.149 435 HD11 LEU 60 HD11 LEU 60 -14.582 -4.463 -12.604 436 HD12 LEU 60 HD12 LEU 60 -15.650 -3.855 -11.340 437 HD13 LEU 60 HD13 LEU 60 -15.669 -5.568 -11.764 438 HD21 LEU 60 HD21 LEU 60 -17.629 -5.949 -12.265 439 HD22 LEU 60 HD22 LEU 60 -18.597 -4.476 -12.362 440 HD23 LEU 60 HD23 LEU 60 -18.324 -5.450 -13.808 441 H GLY 61 HN GLY 61 -17.691 -0.043 -15.688 442 HA2 GLY 61 HA1 GLY 61 -19.562 1.329 -15.984 443 HA3 GLY 61 HA2 GLY 61 -20.504 0.216 -15.000 444 H TYR 62 HN TYR 62 -17.904 0.536 -13.215 445 HA TYR 62 HA TYR 62 -19.095 2.661 -11.591 446 HB2 TYR 62 HB2 TYR 62 -17.090 0.524 -10.835 447 HB3 TYR 62 HB3 TYR 62 -17.846 1.667 -9.732 448 HD1 TYR 62 HD2 TYR 62 -20.617 1.639 -10.286 449 HD2 TYR 62 HD1 TYR 62 -17.878 -1.611 -10.486 450 HE1 TYR 62 HE2 TYR 62 -22.467 0.066 -9.903 451 HE2 TYR 62 HE1 TYR 62 -19.722 -3.192 -10.104 452 HH TYR 62 HH TYR 62 -22.362 -3.093 -10.547 453 H LYS 63 HN LYS 63 -16.886 3.269 -9.989 454 HA LYS 63 HA LYS 63 -14.970 4.382 -11.925 455 HB2 LYS 63 HB2 LYS 63 -15.297 6.083 -9.607 456 HB3 LYS 63 HB3 LYS 63 -15.401 6.493 -11.312 457 HG2 LYS 63 HG2 LYS 63 -17.729 5.860 -11.365 458 HG3 LYS 63 HG3 LYS 63 -17.644 5.306 -9.692 459 HD2 LYS 63 HD2 LYS 63 -17.544 7.448 -8.846 460 HD3 LYS 63 HD3 LYS 63 -16.879 8.117 -10.338 461 HE2 LYS 63 HE2 LYS 63 -19.641 6.981 -10.311 462 HE3 LYS 63 HE3 LYS 63 -19.354 8.602 -9.678 463 HZ1 LYS 63 HZ1 LYS 63 -19.878 8.089 -12.233 464 HZ2 LYS 63 HZ2 LYS 63 -18.185 8.030 -12.278 465 HZ3 LYS 63 HZ3 LYS 63 -18.967 9.426 -11.722 466 H ALA 64 HN ALA 64 -12.952 3.786 -11.477 467 HA ALA 64 HA ALA 64 -12.301 3.082 -8.701 468 HB1 ALA 64 HB1 ALA 64 -11.082 2.244 -11.314 469 HB2 ALA 64 HB2 ALA 64 -10.286 1.973 -9.764 470 HB3 ALA 64 HB3 ALA 64 -11.855 1.237 -10.090 471 H THR 65 HN THR 65 -10.504 3.927 -7.704 472 HA THR 65 HA THR 65 -8.882 5.885 -9.158 473 HB THR 65 HB THR 65 -9.154 6.949 -6.569 474 HG1 THR 65 HG1 THR 65 -11.452 5.713 -7.401 475 HG21 THR 65 HG21 THR 65 -8.800 8.140 -8.734 476 HG22 THR 65 HG22 THR 65 -10.036 8.873 -7.710 477 HG23 THR 65 HG23 THR 65 -10.508 7.888 -9.095 478 H LEU 66 HN LEU 66 -7.382 6.668 -6.805 479 HA LEU 66 HA LEU 66 -6.370 4.167 -5.718 480 HB2 LEU 66 HB2 LEU 66 -4.817 5.894 -7.632 481 HB3 LEU 66 HB3 LEU 66 -4.008 4.879 -6.455 482 HG LEU 66 HG LEU 66 -6.010 3.501 -8.118 483 HD11 LEU 66 HD11 LEU 66 -4.814 5.210 -9.622 484 HD12 LEU 66 HD12 LEU 66 -3.390 4.196 -9.395 485 HD13 LEU 66 HD13 LEU 66 -4.843 3.522 -10.131 486 HD21 LEU 66 HD21 LEU 66 -3.878 1.992 -8.293 487 HD22 LEU 66 HD22 LEU 66 -3.317 2.987 -6.949 488 HD23 LEU 66 HD23 LEU 66 -4.808 2.060 -6.795 489 H ALA 67 HN ALA 67 -5.892 4.476 -3.699 490 HA ALA 67 HA ALA 67 -4.944 7.119 -2.813 491 HB1 ALA 67 HB1 ALA 67 -7.105 5.396 -1.737 492 HB2 ALA 67 HB2 ALA 67 -6.064 6.200 -0.563 493 HB3 ALA 67 HB3 ALA 67 -6.957 7.154 -1.745 494 H ASP 68 HN ASP 68 -3.076 5.541 -3.616 495 HA ASP 68 HA ASP 68 -2.200 3.412 -2.086 496 HB2 ASP 68 HB2 ASP 68 -1.310 4.071 -4.317 497 HB3 ASP 68 HB3 ASP 68 -0.468 5.409 -3.544 498 H ALA 69 HN ALA 69 -1.310 6.815 -1.843 499 HA ALA 69 HA ALA 69 -0.556 6.329 0.953 500 HB1 ALA 69 HB1 ALA 69 1.524 6.905 0.336 501 HB2 ALA 69 HB2 ALA 69 0.981 7.601 -1.190 502 HB3 ALA 69 HB3 ALA 69 0.888 8.549 0.295 Start of MODEL 16 1 H1 MET 1 H1 MET 1 0.865 -4.300 -0.417 2 H2 MET 1 H2 MET 1 0.363 -3.496 -1.821 3 H3 MET 1 H3 MET 1 -0.708 -3.679 -0.519 4 HA MET 1 HA MET 1 0.572 -2.245 0.854 5 HB2 MET 1 HB2 MET 1 2.726 -3.010 -0.473 6 HB3 MET 1 HB3 MET 1 2.383 -1.569 -1.423 7 HG2 MET 1 HG2 MET 1 3.752 -0.654 0.125 8 HG3 MET 1 HG3 MET 1 2.220 -0.471 0.976 9 HE1 MET 1 HE1 MET 1 5.763 -1.192 2.120 10 HE2 MET 1 HE2 MET 1 4.499 -0.003 2.435 11 HE3 MET 1 HE3 MET 1 4.930 -1.180 3.675 12 H THR 2 HN THR 2 0.286 -1.784 -2.661 13 HA THR 2 HA THR 2 -0.539 0.922 -2.504 14 HB THR 2 HB THR 2 -1.137 -1.017 -4.739 15 HG1 THR 2 HG1 THR 2 1.223 0.560 -4.417 16 HG21 THR 2 HG21 THR 2 -0.472 1.910 -4.963 17 HG22 THR 2 HG22 THR 2 -2.126 1.351 -4.710 18 HG23 THR 2 HG23 THR 2 -1.240 0.863 -6.155 19 H HIS 3 HN HIS 3 -2.525 1.805 -2.265 20 HA HIS 3 HA HIS 3 -4.764 -0.037 -1.798 21 HB2 HIS 3 HB2 HIS 3 -4.738 2.855 -0.972 22 HB3 HIS 3 HB3 HIS 3 -5.699 1.539 -0.324 23 HD1 HIS 3 HD1 HIS 3 -2.857 3.561 0.488 24 HD2 HIS 3 HD2 HIS 3 -3.912 -0.421 1.108 25 HE1 HIS 3 HE1 HIS 3 -1.418 2.761 2.385 26 HE2 HIS 3 HE2 HIS 3 -1.928 0.305 2.606 27 H LEU 4 HN LEU 4 -6.501 0.027 -3.089 28 HA LEU 4 HA LEU 4 -6.600 2.136 -5.134 29 HB2 LEU 4 HB2 LEU 4 -7.068 -0.663 -5.216 30 HB3 LEU 4 HB3 LEU 4 -8.610 0.122 -5.500 31 HG LEU 4 HG LEU 4 -7.212 1.541 -7.229 32 HD11 LEU 4 HD11 LEU 4 -5.200 -0.050 -6.333 33 HD12 LEU 4 HD12 LEU 4 -5.740 -0.941 -7.756 34 HD13 LEU 4 HD13 LEU 4 -5.233 0.741 -7.909 35 HD21 LEU 4 HD21 LEU 4 -9.127 -0.157 -7.539 36 HD22 LEU 4 HD22 LEU 4 -8.096 0.219 -8.919 37 HD23 LEU 4 HD23 LEU 4 -7.850 -1.277 -8.015 38 H LYS 5 HN LYS 5 -8.836 2.968 -5.658 39 HA LYS 5 HA LYS 5 -10.349 3.212 -3.139 40 HB2 LYS 5 HB2 LYS 5 -9.206 5.245 -4.848 41 HB3 LYS 5 HB3 LYS 5 -10.935 5.476 -4.655 42 HG2 LYS 5 HG2 LYS 5 -9.175 5.010 -2.283 43 HG3 LYS 5 HG3 LYS 5 -9.337 6.615 -2.997 44 HD2 LYS 5 HD2 LYS 5 -11.939 5.835 -2.811 45 HD3 LYS 5 HD3 LYS 5 -11.235 5.055 -1.394 46 HE2 LYS 5 HE2 LYS 5 -11.544 7.022 -0.381 47 HE3 LYS 5 HE3 LYS 5 -10.120 7.543 -1.284 48 HZ1 LYS 5 HZ1 LYS 5 -11.568 8.383 -3.019 49 HZ2 LYS 5 HZ2 LYS 5 -11.953 9.091 -1.528 50 HZ3 LYS 5 HZ3 LYS 5 -12.943 7.870 -2.166 51 H ILE 6 HN ILE 6 -12.444 2.863 -3.183 52 HA ILE 6 HA ILE 6 -13.643 2.089 -5.736 53 HB ILE 6 HB ILE 6 -14.026 1.260 -2.941 54 HG12 ILE 6 HG12 ILE 6 -14.667 -0.845 -4.001 55 HG13 ILE 6 HG13 ILE 6 -14.760 -0.049 -5.568 56 HG21 ILE 6 HG21 ILE 6 -16.517 1.179 -4.586 57 HG22 ILE 6 HG22 ILE 6 -16.317 0.977 -2.846 58 HG23 ILE 6 HG23 ILE 6 -16.165 2.578 -3.573 59 HD11 ILE 6 HD11 ILE 6 -12.670 -0.719 -5.873 60 HD12 ILE 6 HD12 ILE 6 -12.201 0.514 -4.703 61 HD13 ILE 6 HD13 ILE 6 -12.476 -1.146 -4.173 62 H THR 7 HN THR 7 -15.116 3.337 -6.720 63 HA THR 7 HA THR 7 -16.262 5.566 -5.193 64 HB THR 7 HB THR 7 -15.782 6.518 -7.808 65 HG1 THR 7 HG1 THR 7 -14.141 4.730 -7.697 66 HG21 THR 7 HG21 THR 7 -14.106 7.980 -6.506 67 HG22 THR 7 HG22 THR 7 -14.657 7.096 -5.081 68 HG23 THR 7 HG23 THR 7 -15.803 8.043 -6.029 69 H GLY 8 HN GLY 8 -18.223 6.376 -5.972 70 HA2 GLY 8 HA1 GLY 8 -20.094 6.436 -7.388 71 HA3 GLY 8 HA2 GLY 8 -19.460 5.049 -8.264 72 H MET 9 HN MET 9 -19.045 3.275 -6.179 73 HA MET 9 HA MET 9 -21.783 2.448 -5.740 74 HB2 MET 9 HB2 MET 9 -19.200 1.060 -5.032 75 HB3 MET 9 HB3 MET 9 -20.808 0.369 -4.879 76 HG2 MET 9 HG2 MET 9 -21.095 0.214 -7.166 77 HG3 MET 9 HG3 MET 9 -19.846 1.410 -7.509 78 HE1 MET 9 HE1 MET 9 -17.015 0.481 -7.860 79 HE2 MET 9 HE2 MET 9 -17.571 1.060 -6.289 80 HE3 MET 9 HE3 MET 9 -16.648 -0.439 -6.400 81 H THR 10 HN THR 10 -22.275 1.395 -3.577 82 HA THR 10 HA THR 10 -21.862 3.353 -1.511 83 HB THR 10 HB THR 10 -23.225 1.123 -0.495 84 HG1 THR 10 HG1 THR 10 -24.538 1.728 -2.888 85 HG21 THR 10 HG21 THR 10 -25.166 2.597 -0.562 86 HG22 THR 10 HG22 THR 10 -24.338 3.649 -1.710 87 HG23 THR 10 HG23 THR 10 -23.730 3.491 -0.061 88 H CYS 11 HN CYS 11 -21.896 -0.160 -1.172 89 HA CYS 11 HA CYS 11 -19.379 -0.703 -0.221 90 HB2 CYS 11 HB2 CYS 11 -19.788 -0.622 2.252 91 HB3 CYS 11 HB3 CYS 11 -19.590 0.944 1.482 92 HG CYS 11 HG CYS 11 -22.779 -0.036 1.699 93 H ASP 12 HN ASP 12 -19.234 -2.850 0.219 94 HA ASP 12 HA ASP 12 -19.806 -5.038 0.346 95 HB2 ASP 12 HB2 ASP 12 -21.047 -4.373 2.413 96 HB3 ASP 12 HB3 ASP 12 -22.486 -4.133 1.425 97 H SER 13 HN SER 13 -20.637 -6.570 -1.012 98 HA SER 13 HA SER 13 -21.488 -7.412 -2.938 99 HB2 SER 13 HB2 SER 13 -23.511 -5.173 -3.016 100 HB3 SER 13 HB3 SER 13 -23.656 -6.803 -3.676 101 HG SER 13 HG SER 13 -23.929 -7.617 -1.662 102 H CYS 14 HN CYS 14 -21.736 -3.865 -3.182 103 HA CYS 14 HA CYS 14 -20.852 -3.614 -5.820 104 HB2 CYS 14 HB2 CYS 14 -20.265 -1.657 -3.591 105 HB3 CYS 14 HB3 CYS 14 -20.507 -1.293 -5.297 106 HG CYS 14 HG CYS 14 -22.977 -0.668 -4.990 107 H ALA 15 HN ALA 15 -19.107 -3.578 -2.760 108 HA ALA 15 HA ALA 15 -16.530 -3.326 -3.987 109 HB1 ALA 15 HB1 ALA 15 -15.654 -3.274 -1.848 110 HB2 ALA 15 HB2 ALA 15 -17.280 -2.641 -1.592 111 HB3 ALA 15 HB3 ALA 15 -16.914 -4.319 -1.193 112 H ALA 16 HN ALA 16 -18.659 -5.919 -3.320 113 HA ALA 16 HA ALA 16 -16.679 -7.966 -3.018 114 HB1 ALA 16 HB1 ALA 16 -18.400 -9.313 -2.513 115 HB2 ALA 16 HB2 ALA 16 -19.347 -7.826 -2.478 116 HB3 ALA 16 HB3 ALA 16 -19.324 -8.823 -3.933 117 H HIS 17 HN HIS 17 -18.881 -7.005 -5.649 118 HA HIS 17 HA HIS 17 -17.918 -8.820 -7.560 119 HB2 HIS 17 HB2 HIS 17 -19.977 -7.136 -7.587 120 HB3 HIS 17 HB3 HIS 17 -18.827 -6.123 -8.454 121 HD1 HIS 17 HD1 HIS 17 -20.067 -6.301 -10.693 122 HD2 HIS 17 HD2 HIS 17 -18.921 -9.981 -9.115 123 HE1 HIS 17 HE1 HIS 17 -20.399 -7.970 -12.546 124 HE2 HIS 17 HE2 HIS 17 -19.921 -10.212 -11.495 125 H VAL 18 HN VAL 18 -16.898 -5.552 -6.698 126 HA VAL 18 HA VAL 18 -14.908 -5.279 -8.684 127 HB VAL 18 HB VAL 18 -15.220 -3.998 -5.967 128 HG11 VAL 18 HG11 VAL 18 -13.525 -2.330 -6.847 129 HG12 VAL 18 HG12 VAL 18 -12.892 -3.894 -6.336 130 HG13 VAL 18 HG13 VAL 18 -13.100 -3.546 -8.051 131 HG21 VAL 18 HG21 VAL 18 -15.329 -2.220 -8.208 132 HG22 VAL 18 HG22 VAL 18 -16.443 -3.562 -8.464 133 HG23 VAL 18 HG23 VAL 18 -16.570 -2.576 -7.007 134 H LYS 19 HN LYS 19 -14.781 -6.422 -5.324 135 HA LYS 19 HA LYS 19 -12.052 -6.914 -5.135 136 HB2 LYS 19 HB2 LYS 19 -13.748 -7.018 -3.278 137 HB3 LYS 19 HB3 LYS 19 -14.230 -8.595 -3.885 138 HG2 LYS 19 HG2 LYS 19 -11.450 -8.715 -3.597 139 HG3 LYS 19 HG3 LYS 19 -12.054 -7.897 -2.156 140 HD2 LYS 19 HD2 LYS 19 -12.378 -9.990 -1.398 141 HD3 LYS 19 HD3 LYS 19 -13.845 -9.917 -2.380 142 HE2 LYS 19 HE2 LYS 19 -13.056 -11.398 -3.872 143 HE3 LYS 19 HE3 LYS 19 -11.440 -10.701 -3.859 144 HZ1 LYS 19 HZ1 LYS 19 -10.899 -12.580 -2.812 145 HZ2 LYS 19 HZ2 LYS 19 -12.499 -12.925 -2.362 146 HZ3 LYS 19 HZ3 LYS 19 -11.574 -11.849 -1.432 147 H GLU 20 HN GLU 20 -14.642 -9.127 -6.149 148 HA GLU 20 HA GLU 20 -12.919 -11.288 -6.713 149 HB2 GLU 20 HB2 GLU 20 -15.687 -10.679 -7.745 150 HB3 GLU 20 HB3 GLU 20 -14.861 -12.216 -7.962 151 HG2 GLU 20 HG2 GLU 20 -14.764 -11.593 -5.211 152 HG3 GLU 20 HG3 GLU 20 -16.415 -11.310 -5.761 153 H ALA 21 HN ALA 21 -14.123 -8.629 -8.676 154 HA ALA 21 HA ALA 21 -13.205 -9.573 -11.173 155 HB1 ALA 21 HB1 ALA 21 -14.357 -7.764 -11.772 156 HB2 ALA 21 HB2 ALA 21 -14.307 -7.119 -10.131 157 HB3 ALA 21 HB3 ALA 21 -12.984 -6.788 -11.250 158 H LEU 22 HN LEU 22 -11.702 -7.723 -8.597 159 HA LEU 22 HA LEU 22 -9.236 -7.225 -9.899 160 HB2 LEU 22 HB2 LEU 22 -9.932 -7.406 -6.965 161 HB3 LEU 22 HB3 LEU 22 -8.392 -6.846 -7.579 162 HG LEU 22 HG LEU 22 -11.019 -5.511 -8.209 163 HD11 LEU 22 HD11 LEU 22 -9.539 -5.506 -5.775 164 HD12 LEU 22 HD12 LEU 22 -9.395 -3.919 -6.529 165 HD13 LEU 22 HD13 LEU 22 -10.990 -4.594 -6.190 166 HD21 LEU 22 HD21 LEU 22 -9.774 -3.801 -9.171 167 HD22 LEU 22 HD22 LEU 22 -8.282 -4.311 -8.383 168 HD23 LEU 22 HD23 LEU 22 -8.944 -5.260 -9.715 169 H GLU 23 HN GLU 23 -10.306 -9.717 -7.609 170 HA GLU 23 HA GLU 23 -7.794 -11.043 -7.565 171 HB2 GLU 23 HB2 GLU 23 -10.401 -11.366 -6.318 172 HB3 GLU 23 HB3 GLU 23 -9.652 -12.907 -6.717 173 HG2 GLU 23 HG2 GLU 23 -7.616 -12.174 -5.531 174 HG3 GLU 23 HG3 GLU 23 -8.461 -10.706 -5.053 175 H LYS 24 HN LYS 24 -10.322 -11.042 -9.829 176 HA LYS 24 HA LYS 24 -9.814 -13.636 -10.931 177 HB2 LYS 24 HB2 LYS 24 -11.695 -11.618 -11.370 178 HB3 LYS 24 HB3 LYS 24 -10.774 -11.692 -12.864 179 HG2 LYS 24 HG2 LYS 24 -11.581 -14.297 -11.784 180 HG3 LYS 24 HG3 LYS 24 -12.911 -13.254 -12.296 181 HD2 LYS 24 HD2 LYS 24 -12.511 -14.095 -14.343 182 HD3 LYS 24 HD3 LYS 24 -11.144 -12.978 -14.365 183 HE2 LYS 24 HE2 LYS 24 -9.934 -14.826 -14.785 184 HE3 LYS 24 HE3 LYS 24 -10.070 -15.096 -13.048 185 HZ1 LYS 24 HZ1 LYS 24 -12.130 -16.398 -13.561 186 HZ2 LYS 24 HZ2 LYS 24 -10.686 -17.098 -14.115 187 HZ3 LYS 24 HZ3 LYS 24 -11.716 -16.302 -15.203 188 H VAL 25 HN VAL 25 -8.220 -10.644 -10.952 189 HA VAL 25 HA VAL 25 -6.653 -11.180 -13.332 190 HB VAL 25 HB VAL 25 -6.487 -9.033 -11.209 191 HG11 VAL 25 HG11 VAL 25 -4.881 -7.936 -12.851 192 HG12 VAL 25 HG12 VAL 25 -4.250 -9.288 -11.912 193 HG13 VAL 25 HG13 VAL 25 -4.722 -9.527 -13.595 194 HG21 VAL 25 HG21 VAL 25 -8.246 -9.254 -13.249 195 HG22 VAL 25 HG22 VAL 25 -7.706 -7.720 -12.567 196 HG23 VAL 25 HG23 VAL 25 -6.949 -8.349 -14.031 197 HA PRO 26 HA PRO 26 -4.033 -14.002 -11.135 198 HB2 PRO 26 HB2 PRO 26 -2.118 -13.443 -13.318 199 HB3 PRO 26 HB3 PRO 26 -2.824 -14.978 -12.804 200 HG2 PRO 26 HG2 PRO 26 -3.610 -13.804 -15.061 201 HG3 PRO 26 HG3 PRO 26 -4.773 -14.637 -14.010 202 HD2 PRO 26 HD2 PRO 26 -4.241 -11.702 -14.302 203 HD3 PRO 26 HD3 PRO 26 -5.793 -12.554 -14.149 204 H GLY 27 HN GLY 27 -3.121 -10.763 -11.908 205 HA2 GLY 27 HA1 GLY 27 -0.539 -10.855 -10.642 206 HA3 GLY 27 HA2 GLY 27 -1.393 -9.411 -11.167 207 H VAL 28 HN VAL 28 -3.726 -10.680 -9.503 208 HA VAL 28 HA VAL 28 -2.970 -9.322 -7.031 209 HB VAL 28 HB VAL 28 -5.658 -10.348 -7.954 210 HG11 VAL 28 HG11 VAL 28 -5.139 -10.100 -5.430 211 HG12 VAL 28 HG12 VAL 28 -5.229 -8.369 -5.751 212 HG13 VAL 28 HG13 VAL 28 -6.624 -9.399 -6.072 213 HG21 VAL 28 HG21 VAL 28 -4.307 -7.689 -8.170 214 HG22 VAL 28 HG22 VAL 28 -5.236 -8.576 -9.380 215 HG23 VAL 28 HG23 VAL 28 -6.065 -7.782 -8.041 216 H GLN 29 HN GLN 29 -2.311 -10.477 -5.326 217 HA GLN 29 HA GLN 29 -2.803 -13.350 -5.321 218 HB2 GLN 29 HB2 GLN 29 -0.584 -11.841 -4.645 219 HB3 GLN 29 HB3 GLN 29 -1.240 -12.327 -3.087 220 HG2 GLN 29 HG2 GLN 29 0.186 -14.057 -3.556 221 HG3 GLN 29 HG3 GLN 29 -1.347 -14.685 -4.160 222 HE21 GLN 29 HE21 GLN 29 -1.689 -14.797 -6.408 223 HE22 GLN 29 HE22 GLN 29 -0.362 -14.735 -7.527 224 H SER 30 HN SER 30 -3.519 -10.471 -3.426 225 HA SER 30 HA SER 30 -5.762 -11.885 -2.264 226 HB2 SER 30 HB2 SER 30 -4.423 -10.409 -0.143 227 HB3 SER 30 HB3 SER 30 -5.034 -12.061 -0.138 228 HG SER 30 HG SER 30 -3.108 -12.814 -0.655 229 H ALA 31 HN ALA 31 -7.408 -10.568 -2.675 230 HA ALA 31 HA ALA 31 -6.937 -7.663 -2.477 231 HB1 ALA 31 HB1 ALA 31 -8.874 -9.201 -4.200 232 HB2 ALA 31 HB2 ALA 31 -8.903 -7.448 -4.008 233 HB3 ALA 31 HB3 ALA 31 -7.499 -8.232 -4.729 234 H LEU 32 HN LEU 32 -7.717 -6.896 -0.623 235 HA LEU 32 HA LEU 32 -10.349 -7.895 0.229 236 HB2 LEU 32 HB2 LEU 32 -9.638 -7.147 2.555 237 HB3 LEU 32 HB3 LEU 32 -8.917 -8.616 1.929 238 HG LEU 32 HG LEU 32 -7.332 -6.207 1.397 239 HD11 LEU 32 HD11 LEU 32 -6.926 -6.995 4.154 240 HD12 LEU 32 HD12 LEU 32 -7.088 -5.385 3.453 241 HD13 LEU 32 HD13 LEU 32 -8.528 -6.304 3.894 242 HD21 LEU 32 HD21 LEU 32 -6.212 -8.162 0.945 243 HD22 LEU 32 HD22 LEU 32 -5.660 -7.837 2.588 244 HD23 LEU 32 HD23 LEU 32 -6.937 -9.019 2.305 245 H VAL 33 HN VAL 33 -11.465 -6.352 -0.912 246 HA VAL 33 HA VAL 33 -10.937 -3.556 -0.567 247 HB VAL 33 HB VAL 33 -13.502 -4.771 -1.573 248 HG11 VAL 33 HG11 VAL 33 -13.886 -2.510 -1.285 249 HG12 VAL 33 HG12 VAL 33 -12.233 -2.071 -1.719 250 HG13 VAL 33 HG13 VAL 33 -13.366 -2.589 -2.968 251 HG21 VAL 33 HG21 VAL 33 -12.424 -5.581 -3.342 252 HG22 VAL 33 HG22 VAL 33 -11.921 -3.941 -3.747 253 HG23 VAL 33 HG23 VAL 33 -10.892 -4.952 -2.733 254 H SER 34 HN SER 34 -11.417 -2.461 1.175 255 HA SER 34 HA SER 34 -13.159 -3.600 3.185 256 HB2 SER 34 HB2 SER 34 -12.182 -0.931 3.761 257 HB3 SER 34 HB3 SER 34 -11.862 -2.444 4.612 258 HG SER 34 HG SER 34 -10.263 -2.887 2.998 259 H TYR 35 HN TYR 35 -15.244 -3.382 2.769 260 HA TYR 35 HA TYR 35 -16.393 -1.326 1.280 261 HB2 TYR 35 HB2 TYR 35 -18.343 -2.455 1.508 262 HB3 TYR 35 HB3 TYR 35 -17.222 -3.729 1.916 263 HD1 TYR 35 HD1 TYR 35 -19.515 -1.215 3.395 264 HD2 TYR 35 HD2 TYR 35 -17.424 -4.876 3.968 265 HE1 TYR 35 HE1 TYR 35 -20.715 -1.563 5.509 266 HE2 TYR 35 HE2 TYR 35 -18.628 -5.239 6.077 267 HH TYR 35 HH TYR 35 -19.768 -3.795 7.807 268 HA PRO 36 HA PRO 36 -17.638 0.837 5.369 269 HB2 PRO 36 HB2 PRO 36 -15.693 0.112 7.402 270 HB3 PRO 36 HB3 PRO 36 -17.451 -0.023 7.455 271 HG2 PRO 36 HG2 PRO 36 -15.802 -2.178 7.362 272 HG3 PRO 36 HG3 PRO 36 -17.442 -2.178 6.687 273 HD2 PRO 36 HD2 PRO 36 -14.814 -1.848 5.284 274 HD3 PRO 36 HD3 PRO 36 -16.241 -2.792 4.800 275 H LYS 37 HN LYS 37 -14.579 0.392 4.040 276 HA LYS 37 HA LYS 37 -13.615 2.982 5.038 277 HB2 LYS 37 HB2 LYS 37 -12.319 0.467 4.394 278 HB3 LYS 37 HB3 LYS 37 -11.595 1.800 3.507 279 HG2 LYS 37 HG2 LYS 37 -11.478 2.988 5.776 280 HG3 LYS 37 HG3 LYS 37 -11.773 1.391 6.465 281 HD2 LYS 37 HD2 LYS 37 -9.788 0.512 5.531 282 HD3 LYS 37 HD3 LYS 37 -9.580 1.912 4.475 283 HE2 LYS 37 HE2 LYS 37 -9.601 2.262 7.447 284 HE3 LYS 37 HE3 LYS 37 -8.143 1.684 6.641 285 HZ1 LYS 37 HZ1 LYS 37 -7.828 3.935 6.650 286 HZ2 LYS 37 HZ2 LYS 37 -9.469 4.296 6.434 287 HZ3 LYS 37 HZ3 LYS 37 -8.551 3.730 5.127 288 H GLY 38 HN GLY 38 -14.305 1.097 2.160 289 HA2 GLY 38 HA1 GLY 38 -14.995 1.915 0.081 290 HA3 GLY 38 HA2 GLY 38 -14.508 3.532 0.576 291 H THR 39 HN THR 39 -12.311 0.957 1.149 292 HA THR 39 HA THR 39 -10.709 1.846 -1.163 293 HB THR 39 HB THR 39 -8.819 1.152 0.722 294 HG1 THR 39 HG1 THR 39 -10.190 1.215 2.462 295 HG21 THR 39 HG21 THR 39 -8.246 2.987 -0.492 296 HG22 THR 39 HG22 THR 39 -8.811 3.817 0.957 297 HG23 THR 39 HG23 THR 39 -9.874 3.662 -0.442 298 H ALA 40 HN ALA 40 -9.243 0.335 -2.034 299 HA ALA 40 HA ALA 40 -9.892 -2.456 -1.358 300 HB1 ALA 40 HB1 ALA 40 -8.542 -2.310 -3.844 301 HB2 ALA 40 HB2 ALA 40 -10.224 -2.747 -3.537 302 HB3 ALA 40 HB3 ALA 40 -9.791 -1.064 -3.840 303 H GLN 41 HN GLN 41 -8.399 -3.232 -0.022 304 HA GLN 41 HA GLN 41 -5.636 -2.363 -0.224 305 HB2 GLN 41 HB2 GLN 41 -7.303 -3.501 1.819 306 HB3 GLN 41 HB3 GLN 41 -5.869 -4.498 1.617 307 HG2 GLN 41 HG2 GLN 41 -5.355 -2.918 3.280 308 HG3 GLN 41 HG3 GLN 41 -4.507 -2.401 1.827 309 HE21 GLN 41 HE21 GLN 41 -6.313 -1.364 4.354 310 HE22 GLN 41 HE22 GLN 41 -6.910 0.126 3.689 311 H LEU 42 HN LEU 42 -4.747 -3.195 -2.046 312 HA LEU 42 HA LEU 42 -5.274 -5.996 -2.693 313 HB2 LEU 42 HB2 LEU 42 -4.320 -3.644 -4.284 314 HB3 LEU 42 HB3 LEU 42 -4.097 -5.279 -4.878 315 HG LEU 42 HG LEU 42 -6.820 -4.959 -4.067 316 HD11 LEU 42 HD11 LEU 42 -5.695 -2.780 -5.795 317 HD12 LEU 42 HD12 LEU 42 -7.386 -3.271 -5.879 318 HD13 LEU 42 HD13 LEU 42 -6.727 -2.636 -4.372 319 HD21 LEU 42 HD21 LEU 42 -6.176 -6.603 -5.653 320 HD22 LEU 42 HD22 LEU 42 -7.184 -5.431 -6.503 321 HD23 LEU 42 HD23 LEU 42 -5.431 -5.395 -6.700 322 H ALA 43 HN ALA 43 -3.833 -7.497 -2.239 323 HA ALA 43 HA ALA 43 -1.009 -6.791 -1.945 324 HB1 ALA 43 HB1 ALA 43 -1.930 -9.604 -1.705 325 HB2 ALA 43 HB2 ALA 43 -0.748 -8.714 -0.743 326 HB3 ALA 43 HB3 ALA 43 -2.473 -8.468 -0.470 327 H ILE 44 HN ILE 44 -0.730 -6.242 -4.138 328 HA ILE 44 HA ILE 44 -1.198 -8.319 -6.137 329 HB ILE 44 HB ILE 44 -0.411 -6.379 -7.697 330 HG12 ILE 44 HG12 ILE 44 -1.591 -4.411 -5.952 331 HG13 ILE 44 HG13 ILE 44 -0.172 -5.122 -5.189 332 HG21 ILE 44 HG21 ILE 44 -2.681 -7.331 -7.582 333 HG22 ILE 44 HG22 ILE 44 -3.061 -6.203 -6.278 334 HG23 ILE 44 HG23 ILE 44 -2.686 -5.593 -7.889 335 HD11 ILE 44 HD11 ILE 44 0.319 -4.474 -7.962 336 HD12 ILE 44 HD12 ILE 44 -0.215 -3.070 -7.038 337 HD13 ILE 44 HD13 ILE 44 1.198 -3.985 -6.513 338 H VAL 45 HN VAL 45 0.410 -8.773 -7.736 339 HA VAL 45 HA VAL 45 3.102 -8.887 -6.667 340 HB VAL 45 HB VAL 45 1.872 -9.915 -9.229 341 HG11 VAL 45 HG11 VAL 45 3.881 -10.214 -10.123 342 HG12 VAL 45 HG12 VAL 45 4.599 -9.351 -8.761 343 HG13 VAL 45 HG13 VAL 45 4.410 -11.104 -8.696 344 HG21 VAL 45 HG21 VAL 45 1.273 -11.053 -7.102 345 HG22 VAL 45 HG22 VAL 45 2.114 -12.088 -8.256 346 HG23 VAL 45 HG23 VAL 45 2.982 -11.423 -6.871 347 HA PRO 46 HA PRO 46 4.355 -5.060 -8.644 348 HB2 PRO 46 HB2 PRO 46 7.060 -6.201 -8.262 349 HB3 PRO 46 HB3 PRO 46 6.394 -4.666 -7.691 350 HG2 PRO 46 HG2 PRO 46 6.818 -6.676 -5.997 351 HG3 PRO 46 HG3 PRO 46 5.384 -5.643 -5.841 352 HD2 PRO 46 HD2 PRO 46 5.622 -8.390 -7.019 353 HD3 PRO 46 HD3 PRO 46 4.365 -7.732 -5.948 354 H GLY 47 HN GLY 47 3.430 -6.191 -10.599 355 HA2 GLY 47 HA1 GLY 47 5.359 -6.059 -12.703 356 HA3 GLY 47 HA2 GLY 47 4.762 -7.700 -12.446 357 H THR 48 HN THR 48 2.170 -7.160 -11.679 358 HA THR 48 HA THR 48 0.859 -6.463 -14.113 359 HB THR 48 HB THR 48 -0.968 -6.378 -11.934 360 HG1 THR 48 HG1 THR 48 0.470 -7.398 -10.591 361 HG21 THR 48 HG21 THR 48 -0.962 -7.430 -14.382 362 HG22 THR 48 HG22 THR 48 -2.057 -7.996 -13.120 363 HG23 THR 48 HG23 THR 48 -0.576 -8.890 -13.470 364 H SER 49 HN SER 49 0.126 -4.537 -14.758 365 HA SER 49 HA SER 49 0.771 -2.229 -13.229 366 HB2 SER 49 HB2 SER 49 -0.999 -1.628 -15.410 367 HB3 SER 49 HB3 SER 49 0.727 -1.290 -15.264 368 HG SER 49 HG SER 49 -0.245 -2.849 -16.995 369 HA PRO 50 HA PRO 50 -3.031 -2.263 -10.874 370 HB2 PRO 50 HB2 PRO 50 -2.144 0.442 -10.088 371 HB3 PRO 50 HB3 PRO 50 -2.509 -0.958 -9.075 372 HG2 PRO 50 HG2 PRO 50 0.009 -0.136 -9.454 373 HG3 PRO 50 HG3 PRO 50 -0.392 -1.859 -9.333 374 HD2 PRO 50 HD2 PRO 50 0.185 -0.213 -11.769 375 HD3 PRO 50 HD3 PRO 50 0.703 -1.867 -11.380 376 H ASP 51 HN ASP 51 -2.102 -0.048 -13.308 377 HA ASP 51 HA ASP 51 -4.361 1.659 -13.317 378 HB2 ASP 51 HB2 ASP 51 -2.402 2.329 -14.538 379 HB3 ASP 51 HB3 ASP 51 -2.384 0.831 -15.455 380 H ALA 52 HN ALA 52 -3.716 -1.559 -14.320 381 HA ALA 52 HA ALA 52 -5.837 -1.768 -16.206 382 HB1 ALA 52 HB1 ALA 52 -3.654 -3.330 -15.517 383 HB2 ALA 52 HB2 ALA 52 -5.051 -4.291 -15.032 384 HB3 ALA 52 HB3 ALA 52 -4.901 -3.733 -16.698 385 H LEU 53 HN LEU 53 -5.453 -2.239 -12.796 386 HA LEU 53 HA LEU 53 -7.911 -3.613 -12.348 387 HB2 LEU 53 HB2 LEU 53 -6.455 -1.934 -10.320 388 HB3 LEU 53 HB3 LEU 53 -7.477 -3.329 -10.037 389 HG LEU 53 HG LEU 53 -4.824 -3.499 -11.457 390 HD11 LEU 53 HD11 LEU 53 -4.312 -4.622 -9.094 391 HD12 LEU 53 HD12 LEU 53 -4.012 -2.916 -9.428 392 HD13 LEU 53 HD13 LEU 53 -5.476 -3.403 -8.575 393 HD21 LEU 53 HD21 LEU 53 -5.128 -5.907 -10.517 394 HD22 LEU 53 HD22 LEU 53 -6.834 -5.466 -10.460 395 HD23 LEU 53 HD23 LEU 53 -5.962 -5.424 -11.993 396 H THR 54 HN THR 54 -6.827 -0.257 -12.036 397 HA THR 54 HA THR 54 -9.220 0.885 -11.172 398 HB THR 54 HB THR 54 -7.381 2.325 -13.059 399 HG1 THR 54 HG1 THR 54 -6.722 2.089 -10.325 400 HG21 THR 54 HG21 THR 54 -9.468 3.072 -11.337 401 HG22 THR 54 HG22 THR 54 -8.382 4.130 -12.238 402 HG23 THR 54 HG23 THR 54 -7.980 3.653 -10.587 403 H ALA 55 HN ALA 55 -7.938 0.466 -14.464 404 HA ALA 55 HA ALA 55 -10.182 1.589 -15.767 405 HB1 ALA 55 HB1 ALA 55 -8.013 1.387 -16.862 406 HB2 ALA 55 HB2 ALA 55 -8.147 -0.371 -16.825 407 HB3 ALA 55 HB3 ALA 55 -9.267 0.577 -17.802 408 H ALA 56 HN ALA 56 -9.416 -1.675 -14.713 409 HA ALA 56 HA ALA 56 -11.514 -2.995 -16.067 410 HB1 ALA 56 HB1 ALA 56 -11.083 -4.857 -14.692 411 HB2 ALA 56 HB2 ALA 56 -9.524 -4.051 -14.874 412 HB3 ALA 56 HB3 ALA 56 -10.452 -3.850 -13.388 413 H VAL 57 HN VAL 57 -11.336 -1.569 -12.806 414 HA VAL 57 HA VAL 57 -14.009 -2.262 -12.134 415 HB VAL 57 HB VAL 57 -12.290 -0.092 -10.956 416 HG11 VAL 57 HG11 VAL 57 -15.021 -0.725 -10.536 417 HG12 VAL 57 HG12 VAL 57 -14.125 -1.205 -9.096 418 HG13 VAL 57 HG13 VAL 57 -14.025 0.455 -9.682 419 HG21 VAL 57 HG21 VAL 57 -11.738 -1.716 -9.226 420 HG22 VAL 57 HG22 VAL 57 -12.719 -2.932 -10.047 421 HG23 VAL 57 HG23 VAL 57 -11.262 -2.309 -10.817 422 H ALA 58 HN ALA 58 -12.510 0.693 -13.438 423 HA ALA 58 HA ALA 58 -14.877 2.235 -13.457 424 HB1 ALA 58 HB1 ALA 58 -12.480 2.508 -15.262 425 HB2 ALA 58 HB2 ALA 58 -13.696 3.743 -14.935 426 HB3 ALA 58 HB3 ALA 58 -12.621 3.201 -13.646 427 H GLY 59 HN GLY 59 -13.631 -0.161 -15.645 428 HA2 GLY 59 HA1 GLY 59 -15.450 0.556 -17.781 429 HA3 GLY 59 HA2 GLY 59 -14.356 -0.820 -17.757 430 H LEU 60 HN LEU 60 -15.649 -1.278 -14.944 431 HA LEU 60 HA LEU 60 -17.585 -3.166 -15.983 432 HB2 LEU 60 HB2 LEU 60 -15.913 -2.948 -13.637 433 HB3 LEU 60 HB3 LEU 60 -17.549 -3.415 -13.221 434 HG LEU 60 HG LEU 60 -16.223 -4.892 -15.435 435 HD11 LEU 60 HD11 LEU 60 -15.360 -6.452 -13.540 436 HD12 LEU 60 HD12 LEU 60 -14.395 -5.064 -14.041 437 HD13 LEU 60 HD13 LEU 60 -15.373 -4.976 -12.574 438 HD21 LEU 60 HD21 LEU 60 -17.582 -6.337 -13.303 439 HD22 LEU 60 HD22 LEU 60 -18.594 -5.109 -14.064 440 HD23 LEU 60 HD23 LEU 60 -17.851 -6.373 -15.045 441 H GLY 61 HN GLY 61 -17.944 -0.123 -15.557 442 HA2 GLY 61 HA1 GLY 61 -20.048 0.949 -15.565 443 HA3 GLY 61 HA2 GLY 61 -20.718 -0.414 -14.681 444 H TYR 62 HN TYR 62 -17.966 0.159 -13.129 445 HA TYR 62 HA TYR 62 -19.219 2.012 -11.229 446 HB2 TYR 62 HB2 TYR 62 -16.812 0.344 -10.586 447 HB3 TYR 62 HB3 TYR 62 -18.050 0.967 -9.509 448 HD1 TYR 62 HD2 TYR 62 -20.515 0.014 -10.238 449 HD2 TYR 62 HD1 TYR 62 -16.783 -1.958 -10.775 450 HE1 TYR 62 HE2 TYR 62 -21.678 -2.149 -10.320 451 HE2 TYR 62 HE1 TYR 62 -17.939 -4.130 -10.861 452 HH TYR 62 HH TYR 62 -20.149 -5.025 -11.362 453 H LYS 63 HN LYS 63 -17.069 2.928 -9.845 454 HA LYS 63 HA LYS 63 -15.192 3.948 -11.864 455 HB2 LYS 63 HB2 LYS 63 -17.010 5.603 -10.961 456 HB3 LYS 63 HB3 LYS 63 -15.992 5.643 -9.528 457 HG2 LYS 63 HG2 LYS 63 -14.335 5.987 -11.812 458 HG3 LYS 63 HG3 LYS 63 -15.703 7.095 -11.937 459 HD2 LYS 63 HD2 LYS 63 -15.014 8.340 -10.188 460 HD3 LYS 63 HD3 LYS 63 -14.481 6.931 -9.267 461 HE2 LYS 63 HE2 LYS 63 -12.462 6.801 -10.640 462 HE3 LYS 63 HE3 LYS 63 -12.996 8.204 -11.564 463 HZ1 LYS 63 HZ1 LYS 63 -11.636 9.209 -10.057 464 HZ2 LYS 63 HZ2 LYS 63 -11.932 8.063 -8.841 465 HZ3 LYS 63 HZ3 LYS 63 -13.084 9.256 -9.172 466 H ALA 64 HN ALA 64 -13.126 3.622 -11.345 467 HA ALA 64 HA ALA 64 -12.522 3.034 -8.526 468 HB1 ALA 64 HB1 ALA 64 -12.191 1.191 -10.253 469 HB2 ALA 64 HB2 ALA 64 -10.830 2.147 -10.841 470 HB3 ALA 64 HB3 ALA 64 -10.836 1.547 -9.181 471 H THR 65 HN THR 65 -10.831 4.015 -7.565 472 HA THR 65 HA THR 65 -9.083 5.720 -9.189 473 HB THR 65 HB THR 65 -9.598 6.763 -6.479 474 HG1 THR 65 HG1 THR 65 -11.750 6.084 -7.366 475 HG21 THR 65 HG21 THR 65 -9.449 8.882 -7.594 476 HG22 THR 65 HG22 THR 65 -9.655 8.126 -9.173 477 HG23 THR 65 HG23 THR 65 -8.184 7.839 -8.244 478 H LEU 66 HN LEU 66 -7.672 6.551 -6.694 479 HA LEU 66 HA LEU 66 -6.782 4.036 -5.575 480 HB2 LEU 66 HB2 LEU 66 -4.335 4.919 -6.202 481 HB3 LEU 66 HB3 LEU 66 -5.229 3.780 -7.188 482 HG LEU 66 HG LEU 66 -5.986 6.340 -8.084 483 HD11 LEU 66 HD11 LEU 66 -4.199 7.674 -8.098 484 HD12 LEU 66 HD12 LEU 66 -3.558 6.628 -6.830 485 HD13 LEU 66 HD13 LEU 66 -3.107 6.352 -8.512 486 HD21 LEU 66 HD21 LEU 66 -4.093 4.309 -9.258 487 HD22 LEU 66 HD22 LEU 66 -5.847 4.318 -9.436 488 HD23 LEU 66 HD23 LEU 66 -4.882 5.614 -10.143 489 H ALA 67 HN ALA 67 -6.063 4.250 -3.583 490 HA ALA 67 HA ALA 67 -5.607 6.947 -2.521 491 HB1 ALA 67 HB1 ALA 67 -7.067 6.141 -0.993 492 HB2 ALA 67 HB2 ALA 67 -6.741 4.463 -1.425 493 HB3 ALA 67 HB3 ALA 67 -5.649 5.320 -0.339 494 H ASP 68 HN ASP 68 -3.589 6.708 -3.786 495 HA ASP 68 HA ASP 68 -1.654 4.777 -3.417 496 HB2 ASP 68 HB2 ASP 68 -1.655 6.361 -5.273 497 HB3 ASP 68 HB3 ASP 68 -1.300 7.681 -4.165 498 H ALA 69 HN ALA 69 -0.054 4.418 -2.050 499 HA ALA 69 HA ALA 69 1.370 4.548 -0.304 500 HB1 ALA 69 HB1 ALA 69 2.322 6.568 -0.583 501 HB2 ALA 69 HB2 ALA 69 0.775 7.409 -0.706 502 HB3 ALA 69 HB3 ALA 69 1.407 6.949 0.876 Start of MODEL 17 1 H1 MET 1 H1 MET 1 -0.188 -4.437 1.596 2 H2 MET 1 H2 MET 1 -1.386 -4.318 0.406 3 H3 MET 1 H3 MET 1 -1.115 -3.023 1.467 4 HA MET 1 HA MET 1 1.257 -3.050 0.539 5 HB2 MET 1 HB2 MET 1 0.066 -5.120 -0.961 6 HB3 MET 1 HB3 MET 1 0.276 -3.773 -2.075 7 HG2 MET 1 HG2 MET 1 2.522 -4.676 -0.317 8 HG3 MET 1 HG3 MET 1 2.161 -5.499 -1.836 9 HE1 MET 1 HE1 MET 1 4.482 -4.003 -0.465 10 HE2 MET 1 HE2 MET 1 5.363 -3.548 -1.924 11 HE3 MET 1 HE3 MET 1 4.706 -2.300 -0.863 12 H THR 2 HN THR 2 -0.947 -2.810 -2.161 13 HA THR 2 HA THR 2 -0.728 0.102 -2.000 14 HB THR 2 HB THR 2 -2.034 -1.050 -4.363 15 HG1 THR 2 HG1 THR 2 0.641 -1.505 -4.591 16 HG21 THR 2 HG21 THR 2 -0.164 0.326 -5.447 17 HG22 THR 2 HG22 THR 2 0.221 0.868 -3.813 18 HG23 THR 2 HG23 THR 2 -1.368 1.203 -4.503 19 H HIS 3 HN HIS 3 -2.504 1.445 -1.922 20 HA HIS 3 HA HIS 3 -5.062 0.110 -1.337 21 HB2 HIS 3 HB2 HIS 3 -3.973 2.800 -0.604 22 HB3 HIS 3 HB3 HIS 3 -5.690 2.474 -0.525 23 HD1 HIS 3 HD1 HIS 3 -4.464 3.195 2.084 24 HD2 HIS 3 HD2 HIS 3 -4.496 -0.721 0.664 25 HE1 HIS 3 HE1 HIS 3 -4.242 1.731 4.114 26 HE2 HIS 3 HE2 HIS 3 -4.510 -0.620 3.249 27 H LEU 4 HN LEU 4 -6.774 0.411 -2.507 28 HA LEU 4 HA LEU 4 -6.670 2.320 -4.749 29 HB2 LEU 4 HB2 LEU 4 -7.043 -0.495 -4.809 30 HB3 LEU 4 HB3 LEU 4 -8.580 0.238 -5.225 31 HG LEU 4 HG LEU 4 -7.116 1.660 -6.882 32 HD11 LEU 4 HD11 LEU 4 -5.441 -0.827 -6.557 33 HD12 LEU 4 HD12 LEU 4 -5.221 0.434 -7.771 34 HD13 LEU 4 HD13 LEU 4 -4.968 0.800 -6.065 35 HD21 LEU 4 HD21 LEU 4 -8.699 -0.640 -7.079 36 HD22 LEU 4 HD22 LEU 4 -8.263 0.481 -8.371 37 HD23 LEU 4 HD23 LEU 4 -7.272 -0.949 -8.072 38 H LYS 5 HN LYS 5 -8.851 3.126 -5.416 39 HA LYS 5 HA LYS 5 -10.536 3.369 -3.011 40 HB2 LYS 5 HB2 LYS 5 -9.307 5.433 -3.512 41 HB3 LYS 5 HB3 LYS 5 -9.990 5.450 -5.132 42 HG2 LYS 5 HG2 LYS 5 -11.245 6.993 -3.893 43 HG3 LYS 5 HG3 LYS 5 -12.263 5.558 -4.027 44 HD2 LYS 5 HD2 LYS 5 -11.087 4.946 -1.741 45 HD3 LYS 5 HD3 LYS 5 -10.876 6.697 -1.653 46 HE2 LYS 5 HE2 LYS 5 -13.294 6.981 -1.993 47 HE3 LYS 5 HE3 LYS 5 -13.485 5.230 -2.024 48 HZ1 LYS 5 HZ1 LYS 5 -12.975 7.013 0.234 49 HZ2 LYS 5 HZ2 LYS 5 -12.243 5.484 0.284 50 HZ3 LYS 5 HZ3 LYS 5 -13.930 5.614 0.151 51 H ILE 6 HN ILE 6 -12.551 2.709 -3.216 52 HA ILE 6 HA ILE 6 -13.590 2.014 -5.826 53 HB ILE 6 HB ILE 6 -14.225 1.342 -3.044 54 HG12 ILE 6 HG12 ILE 6 -15.090 -0.737 -4.224 55 HG13 ILE 6 HG13 ILE 6 -14.579 0.017 -5.731 56 HG21 ILE 6 HG21 ILE 6 -16.285 2.380 -3.189 57 HG22 ILE 6 HG22 ILE 6 -16.450 2.042 -4.913 58 HG23 ILE 6 HG23 ILE 6 -16.647 0.743 -3.737 59 HD11 ILE 6 HD11 ILE 6 -12.563 -0.827 -5.419 60 HD12 ILE 6 HD12 ILE 6 -12.392 0.164 -3.969 61 HD13 ILE 6 HD13 ILE 6 -13.047 -1.469 -3.850 62 H THR 7 HN THR 7 -14.989 3.220 -6.988 63 HA THR 7 HA THR 7 -16.206 5.548 -5.681 64 HB THR 7 HB THR 7 -15.594 6.303 -8.343 65 HG1 THR 7 HG1 THR 7 -13.774 4.595 -7.374 66 HG21 THR 7 HG21 THR 7 -15.789 7.906 -6.579 67 HG22 THR 7 HG22 THR 7 -14.127 7.977 -7.162 68 HG23 THR 7 HG23 THR 7 -14.498 7.136 -5.655 69 H GLY 8 HN GLY 8 -18.031 6.454 -6.908 70 HA2 GLY 8 HA1 GLY 8 -19.995 6.144 -8.135 71 HA3 GLY 8 HA2 GLY 8 -19.360 4.604 -8.722 72 H MET 9 HN MET 9 -19.047 2.937 -6.942 73 HA MET 9 HA MET 9 -21.367 2.830 -5.235 74 HB2 MET 9 HB2 MET 9 -19.193 0.816 -5.038 75 HB3 MET 9 HB3 MET 9 -20.939 0.602 -4.973 76 HG2 MET 9 HG2 MET 9 -21.119 0.317 -7.153 77 HG3 MET 9 HG3 MET 9 -19.988 1.604 -7.492 78 HE1 MET 9 HE1 MET 9 -16.742 0.267 -7.986 79 HE2 MET 9 HE2 MET 9 -17.653 1.513 -7.130 80 HE3 MET 9 HE3 MET 9 -16.901 0.196 -6.231 81 H THR 10 HN THR 10 -20.879 2.059 -2.859 82 HA THR 10 HA THR 10 -18.520 3.509 -1.872 83 HB THR 10 HB THR 10 -20.964 3.660 -0.202 84 HG1 THR 10 HG1 THR 10 -21.572 4.186 -2.459 85 HG21 THR 10 HG21 THR 10 -18.434 5.096 -0.610 86 HG22 THR 10 HG22 THR 10 -19.404 4.900 0.848 87 HG23 THR 10 HG23 THR 10 -19.831 6.140 -0.332 88 H CYS 11 HN CYS 11 -20.779 0.850 -1.430 89 HA CYS 11 HA CYS 11 -19.039 -0.301 0.577 90 HB2 CYS 11 HB2 CYS 11 -21.189 -0.524 2.057 91 HB3 CYS 11 HB3 CYS 11 -20.140 0.877 2.166 92 HG CYS 11 HG CYS 11 -23.291 0.944 1.793 93 H ASP 12 HN ASP 12 -19.629 -2.371 1.265 94 HA ASP 12 HA ASP 12 -20.161 -4.564 0.788 95 HB2 ASP 12 HB2 ASP 12 -21.762 -3.196 2.458 96 HB3 ASP 12 HB3 ASP 12 -22.954 -3.890 1.361 97 H SER 13 HN SER 13 -20.687 -6.067 -0.540 98 HA SER 13 HA SER 13 -21.490 -7.209 -2.314 99 HB2 SER 13 HB2 SER 13 -23.684 -5.181 -2.683 100 HB3 SER 13 HB3 SER 13 -23.703 -6.903 -3.060 101 HG SER 13 HG SER 13 -24.288 -7.319 -1.084 102 H CYS 14 HN CYS 14 -21.875 -3.722 -2.955 103 HA CYS 14 HA CYS 14 -20.978 -3.791 -5.613 104 HB2 CYS 14 HB2 CYS 14 -20.621 -1.589 -3.569 105 HB3 CYS 14 HB3 CYS 14 -20.550 -1.403 -5.317 106 HG CYS 14 HG CYS 14 -23.348 -2.490 -5.373 107 H ALA 15 HN ALA 15 -19.294 -3.534 -2.531 108 HA ALA 15 HA ALA 15 -16.682 -3.277 -3.655 109 HB1 ALA 15 HB1 ALA 15 -17.535 -4.171 -0.899 110 HB2 ALA 15 HB2 ALA 15 -15.891 -3.748 -1.377 111 HB3 ALA 15 HB3 ALA 15 -17.156 -2.520 -1.392 112 H ALA 16 HN ALA 16 -18.802 -5.929 -2.983 113 HA ALA 16 HA ALA 16 -16.782 -7.962 -2.910 114 HB1 ALA 16 HB1 ALA 16 -18.970 -8.246 -1.814 115 HB2 ALA 16 HB2 ALA 16 -19.746 -8.250 -3.398 116 HB3 ALA 16 HB3 ALA 16 -18.624 -9.539 -2.961 117 H HIS 17 HN HIS 17 -18.996 -6.669 -5.332 118 HA HIS 17 HA HIS 17 -18.411 -8.363 -7.466 119 HB2 HIS 17 HB2 HIS 17 -19.544 -5.673 -7.096 120 HB3 HIS 17 HB3 HIS 17 -18.783 -5.919 -8.658 121 HD1 HIS 17 HD1 HIS 17 -19.777 -8.010 -10.085 122 HD2 HIS 17 HD2 HIS 17 -22.061 -6.654 -6.883 123 HE1 HIS 17 HE1 HIS 17 -22.087 -8.923 -10.463 124 HE2 HIS 17 HE2 HIS 17 -23.428 -8.189 -8.457 125 H VAL 18 HN VAL 18 -16.915 -5.298 -6.509 126 HA VAL 18 HA VAL 18 -14.934 -5.246 -8.516 127 HB VAL 18 HB VAL 18 -14.919 -3.965 -5.774 128 HG11 VAL 18 HG11 VAL 18 -13.430 -2.669 -7.936 129 HG12 VAL 18 HG12 VAL 18 -12.991 -2.931 -6.250 130 HG13 VAL 18 HG13 VAL 18 -12.767 -4.222 -7.429 131 HG21 VAL 18 HG21 VAL 18 -15.369 -1.996 -7.640 132 HG22 VAL 18 HG22 VAL 18 -16.313 -3.351 -8.258 133 HG23 VAL 18 HG23 VAL 18 -16.594 -2.755 -6.623 134 H LYS 19 HN LYS 19 -14.939 -6.458 -5.191 135 HA LYS 19 HA LYS 19 -12.244 -7.148 -4.989 136 HB2 LYS 19 HB2 LYS 19 -13.647 -7.136 -3.035 137 HB3 LYS 19 HB3 LYS 19 -14.695 -8.374 -3.713 138 HG2 LYS 19 HG2 LYS 19 -12.045 -9.389 -3.650 139 HG3 LYS 19 HG3 LYS 19 -12.418 -8.694 -2.071 140 HD2 LYS 19 HD2 LYS 19 -14.683 -9.990 -2.404 141 HD3 LYS 19 HD3 LYS 19 -13.707 -10.970 -3.500 142 HE2 LYS 19 HE2 LYS 19 -12.161 -10.630 -1.190 143 HE3 LYS 19 HE3 LYS 19 -13.796 -10.976 -0.627 144 HZ1 LYS 19 HZ1 LYS 19 -12.413 -12.617 -2.676 145 HZ2 LYS 19 HZ2 LYS 19 -13.827 -12.996 -1.819 146 HZ3 LYS 19 HZ3 LYS 19 -12.336 -12.956 -1.013 147 H GLU 20 HN GLU 20 -15.013 -9.118 -6.049 148 HA GLU 20 HA GLU 20 -13.477 -11.418 -6.629 149 HB2 GLU 20 HB2 GLU 20 -16.193 -10.739 -6.648 150 HB3 GLU 20 HB3 GLU 20 -15.824 -11.214 -8.300 151 HG2 GLU 20 HG2 GLU 20 -15.617 -13.371 -7.756 152 HG3 GLU 20 HG3 GLU 20 -14.728 -13.011 -6.276 153 H ALA 21 HN ALA 21 -14.424 -8.633 -8.560 154 HA ALA 21 HA ALA 21 -13.581 -9.607 -11.065 155 HB1 ALA 21 HB1 ALA 21 -14.622 -7.200 -10.052 156 HB2 ALA 21 HB2 ALA 21 -13.108 -6.785 -10.855 157 HB3 ALA 21 HB3 ALA 21 -14.370 -7.642 -11.740 158 H LEU 22 HN LEU 22 -11.905 -7.953 -8.460 159 HA LEU 22 HA LEU 22 -9.393 -7.706 -9.764 160 HB2 LEU 22 HB2 LEU 22 -10.279 -7.630 -6.895 161 HB3 LEU 22 HB3 LEU 22 -8.578 -7.571 -7.316 162 HG LEU 22 HG LEU 22 -10.495 -5.611 -8.523 163 HD11 LEU 22 HD11 LEU 22 -8.997 -4.924 -6.044 164 HD12 LEU 22 HD12 LEU 22 -10.463 -4.208 -6.712 165 HD13 LEU 22 HD13 LEU 22 -10.536 -5.775 -5.905 166 HD21 LEU 22 HD21 LEU 22 -7.746 -4.906 -7.733 167 HD22 LEU 22 HD22 LEU 22 -7.901 -6.096 -9.025 168 HD23 LEU 22 HD23 LEU 22 -8.651 -4.510 -9.195 169 H GLU 23 HN GLU 23 -10.741 -10.075 -7.511 170 HA GLU 23 HA GLU 23 -8.387 -11.658 -7.357 171 HB2 GLU 23 HB2 GLU 23 -11.250 -12.065 -6.567 172 HB3 GLU 23 HB3 GLU 23 -10.101 -13.391 -6.462 173 HG2 GLU 23 HG2 GLU 23 -8.670 -11.961 -5.028 174 HG3 GLU 23 HG3 GLU 23 -9.947 -10.744 -5.043 175 H LYS 24 HN LYS 24 -10.800 -11.372 -9.732 176 HA LYS 24 HA LYS 24 -10.539 -13.984 -10.868 177 HB2 LYS 24 HB2 LYS 24 -12.243 -11.877 -11.266 178 HB3 LYS 24 HB3 LYS 24 -11.220 -11.772 -12.692 179 HG2 LYS 24 HG2 LYS 24 -11.844 -13.913 -13.428 180 HG3 LYS 24 HG3 LYS 24 -12.542 -14.335 -11.863 181 HD2 LYS 24 HD2 LYS 24 -13.874 -12.012 -12.720 182 HD3 LYS 24 HD3 LYS 24 -13.785 -13.075 -14.125 183 HE2 LYS 24 HE2 LYS 24 -14.783 -13.916 -11.406 184 HE3 LYS 24 HE3 LYS 24 -15.825 -13.407 -12.733 185 HZ1 LYS 24 HZ1 LYS 24 -15.831 -15.674 -12.974 186 HZ2 LYS 24 HZ2 LYS 24 -14.228 -15.862 -12.454 187 HZ3 LYS 24 HZ3 LYS 24 -14.552 -15.264 -14.010 188 H VAL 25 HN VAL 25 -8.639 -11.161 -10.826 189 HA VAL 25 HA VAL 25 -7.155 -11.750 -13.245 190 HB VAL 25 HB VAL 25 -6.813 -9.655 -11.093 191 HG11 VAL 25 HG11 VAL 25 -4.661 -9.625 -11.776 192 HG12 VAL 25 HG12 VAL 25 -5.020 -10.462 -13.286 193 HG13 VAL 25 HG13 VAL 25 -5.321 -8.731 -13.146 194 HG21 VAL 25 HG21 VAL 25 -8.743 -9.560 -12.773 195 HG22 VAL 25 HG22 VAL 25 -7.736 -8.124 -12.594 196 HG23 VAL 25 HG23 VAL 25 -7.504 -9.198 -13.973 197 HA PRO 26 HA PRO 26 -4.478 -14.586 -11.069 198 HB2 PRO 26 HB2 PRO 26 -2.636 -14.882 -13.053 199 HB3 PRO 26 HB3 PRO 26 -4.215 -15.676 -13.070 200 HG2 PRO 26 HG2 PRO 26 -3.340 -13.170 -14.456 201 HG3 PRO 26 HG3 PRO 26 -4.309 -14.516 -15.086 202 HD2 PRO 26 HD2 PRO 26 -5.433 -12.209 -14.267 203 HD3 PRO 26 HD3 PRO 26 -6.238 -13.776 -14.046 204 H GLY 27 HN GLY 27 -3.603 -11.449 -12.177 205 HA2 GLY 27 HA1 GLY 27 -0.902 -11.525 -11.139 206 HA3 GLY 27 HA2 GLY 27 -1.735 -10.115 -11.779 207 H VAL 28 HN VAL 28 -3.979 -11.091 -9.808 208 HA VAL 28 HA VAL 28 -3.045 -9.392 -7.632 209 HB VAL 28 HB VAL 28 -5.769 -10.567 -8.219 210 HG11 VAL 28 HG11 VAL 28 -5.897 -8.428 -6.353 211 HG12 VAL 28 HG12 VAL 28 -6.383 -10.109 -6.134 212 HG13 VAL 28 HG13 VAL 28 -4.735 -9.610 -5.754 213 HG21 VAL 28 HG21 VAL 28 -6.356 -8.162 -8.590 214 HG22 VAL 28 HG22 VAL 28 -4.634 -7.792 -8.500 215 HG23 VAL 28 HG23 VAL 28 -5.246 -8.843 -9.778 216 H GLN 29 HN GLN 29 -2.267 -10.211 -5.799 217 HA GLN 29 HA GLN 29 -2.529 -13.086 -5.352 218 HB2 GLN 29 HB2 GLN 29 -0.605 -10.989 -4.446 219 HB3 GLN 29 HB3 GLN 29 -0.815 -12.426 -3.455 220 HG2 GLN 29 HG2 GLN 29 0.353 -12.150 -6.171 221 HG3 GLN 29 HG3 GLN 29 0.919 -13.076 -4.783 222 HE21 GLN 29 HE21 GLN 29 -0.790 -13.169 -7.706 223 HE22 GLN 29 HE22 GLN 29 -1.340 -14.802 -7.611 224 H SER 30 HN SER 30 -3.299 -10.001 -3.876 225 HA SER 30 HA SER 30 -5.356 -11.320 -2.336 226 HB2 SER 30 HB2 SER 30 -4.444 -9.776 -0.319 227 HB3 SER 30 HB3 SER 30 -3.998 -11.471 -0.510 228 HG SER 30 HG SER 30 -2.036 -10.913 -1.189 229 H ALA 31 HN ALA 31 -7.122 -10.150 -2.481 230 HA ALA 31 HA ALA 31 -6.890 -7.221 -2.648 231 HB1 ALA 31 HB1 ALA 31 -7.799 -7.148 -4.676 232 HB2 ALA 31 HB2 ALA 31 -7.730 -8.908 -4.741 233 HB3 ALA 31 HB3 ALA 31 -9.174 -8.107 -4.127 234 H LEU 32 HN LEU 32 -7.538 -6.862 -0.569 235 HA LEU 32 HA LEU 32 -10.185 -7.925 0.170 236 HB2 LEU 32 HB2 LEU 32 -9.409 -7.251 2.544 237 HB3 LEU 32 HB3 LEU 32 -8.787 -8.725 1.831 238 HG LEU 32 HG LEU 32 -7.155 -6.272 1.460 239 HD11 LEU 32 HD11 LEU 32 -7.739 -7.536 4.099 240 HD12 LEU 32 HD12 LEU 32 -6.116 -6.936 3.763 241 HD13 LEU 32 HD13 LEU 32 -7.493 -5.839 3.693 242 HD21 LEU 32 HD21 LEU 32 -6.862 -9.116 1.269 243 HD22 LEU 32 HD22 LEU 32 -5.749 -7.844 0.766 244 HD23 LEU 32 HD23 LEU 32 -5.684 -8.471 2.412 245 H VAL 33 HN VAL 33 -11.561 -6.420 -0.541 246 HA VAL 33 HA VAL 33 -10.991 -3.603 -0.279 247 HB VAL 33 HB VAL 33 -13.617 -4.830 -1.085 248 HG11 VAL 33 HG11 VAL 33 -14.128 -2.637 -0.956 249 HG12 VAL 33 HG12 VAL 33 -12.446 -2.131 -1.112 250 HG13 VAL 33 HG13 VAL 33 -13.364 -2.590 -2.547 251 HG21 VAL 33 HG21 VAL 33 -12.834 -5.452 -3.084 252 HG22 VAL 33 HG22 VAL 33 -11.937 -3.947 -3.277 253 HG23 VAL 33 HG23 VAL 33 -11.224 -5.288 -2.384 254 H SER 34 HN SER 34 -11.429 -2.437 1.438 255 HA SER 34 HA SER 34 -12.941 -3.576 3.630 256 HB2 SER 34 HB2 SER 34 -11.856 -0.803 3.754 257 HB3 SER 34 HB3 SER 34 -11.816 -2.085 4.969 258 HG SER 34 HG SER 34 -10.331 -3.105 3.258 259 H TYR 35 HN TYR 35 -15.059 -3.503 3.265 260 HA TYR 35 HA TYR 35 -16.394 -1.608 1.716 261 HB2 TYR 35 HB2 TYR 35 -18.012 -3.120 1.835 262 HB3 TYR 35 HB3 TYR 35 -17.010 -4.041 2.937 263 HD1 TYR 35 HD1 TYR 35 -19.605 -1.347 2.904 264 HD2 TYR 35 HD2 TYR 35 -17.805 -4.545 5.062 265 HE1 TYR 35 HE1 TYR 35 -21.358 -1.175 4.617 266 HE2 TYR 35 HE2 TYR 35 -19.549 -4.369 6.783 267 HH TYR 35 HH TYR 35 -22.049 -3.493 6.772 268 HA PRO 36 HA PRO 36 -17.830 0.527 5.849 269 HB2 PRO 36 HB2 PRO 36 -15.462 0.166 7.571 270 HB3 PRO 36 HB3 PRO 36 -17.176 0.034 7.973 271 HG2 PRO 36 HG2 PRO 36 -15.623 -2.133 7.817 272 HG3 PRO 36 HG3 PRO 36 -17.309 -2.165 7.269 273 HD2 PRO 36 HD2 PRO 36 -14.795 -1.940 5.652 274 HD3 PRO 36 HD3 PRO 36 -16.250 -2.912 5.342 275 H LYS 37 HN LYS 37 -14.637 0.471 4.516 276 HA LYS 37 HA LYS 37 -14.266 3.312 5.166 277 HB2 LYS 37 HB2 LYS 37 -12.448 1.038 4.911 278 HB3 LYS 37 HB3 LYS 37 -11.902 2.459 4.028 279 HG2 LYS 37 HG2 LYS 37 -11.061 3.204 5.937 280 HG3 LYS 37 HG3 LYS 37 -12.718 3.442 6.497 281 HD2 LYS 37 HD2 LYS 37 -11.810 0.678 6.740 282 HD3 LYS 37 HD3 LYS 37 -10.831 1.810 7.676 283 HE2 LYS 37 HE2 LYS 37 -13.690 2.314 7.904 284 HE3 LYS 37 HE3 LYS 37 -13.235 0.701 8.453 285 HZ1 LYS 37 HZ1 LYS 37 -12.277 3.318 9.456 286 HZ2 LYS 37 HZ2 LYS 37 -11.452 1.878 9.794 287 HZ3 LYS 37 HZ3 LYS 37 -13.052 2.083 10.321 288 H GLY 38 HN GLY 38 -14.700 1.055 2.565 289 HA2 GLY 38 HA1 GLY 38 -15.311 1.510 0.371 290 HA3 GLY 38 HA2 GLY 38 -15.049 3.222 0.681 291 H THR 39 HN THR 39 -12.526 1.130 1.624 292 HA THR 39 HA THR 39 -10.978 1.964 -0.746 293 HB THR 39 HB THR 39 -9.348 1.242 1.542 294 HG1 THR 39 HG1 THR 39 -10.716 3.681 1.922 295 HG21 THR 39 HG21 THR 39 -8.575 2.445 -0.475 296 HG22 THR 39 HG22 THR 39 -8.221 3.318 1.014 297 HG23 THR 39 HG23 THR 39 -9.568 3.825 -0.003 298 H ALA 40 HN ALA 40 -9.238 0.508 -1.362 299 HA ALA 40 HA ALA 40 -9.895 -2.289 -0.713 300 HB1 ALA 40 HB1 ALA 40 -10.201 -1.162 -3.143 301 HB2 ALA 40 HB2 ALA 40 -8.545 -1.755 -3.273 302 HB3 ALA 40 HB3 ALA 40 -9.854 -2.872 -2.890 303 H GLN 41 HN GLN 41 -8.329 -3.465 0.156 304 HA GLN 41 HA GLN 41 -5.588 -2.421 0.096 305 HB2 GLN 41 HB2 GLN 41 -6.232 -4.887 1.621 306 HB3 GLN 41 HB3 GLN 41 -5.183 -3.544 2.049 307 HG2 GLN 41 HG2 GLN 41 -8.048 -2.902 1.945 308 HG3 GLN 41 HG3 GLN 41 -7.576 -4.052 3.194 309 HE21 GLN 41 HE21 GLN 41 -8.598 -1.450 3.636 310 HE22 GLN 41 HE22 GLN 41 -7.363 -0.537 4.445 311 H LEU 42 HN LEU 42 -4.616 -3.014 -1.747 312 HA LEU 42 HA LEU 42 -5.122 -5.734 -2.750 313 HB2 LEU 42 HB2 LEU 42 -6.106 -4.305 -4.297 314 HB3 LEU 42 HB3 LEU 42 -4.853 -3.092 -4.124 315 HG LEU 42 HG LEU 42 -3.499 -5.278 -5.155 316 HD11 LEU 42 HD11 LEU 42 -5.389 -6.530 -5.740 317 HD12 LEU 42 HD12 LEU 42 -6.270 -5.104 -6.294 318 HD13 LEU 42 HD13 LEU 42 -4.908 -5.718 -7.231 319 HD21 LEU 42 HD21 LEU 42 -3.443 -3.916 -7.221 320 HD22 LEU 42 HD22 LEU 42 -4.678 -2.867 -6.524 321 HD23 LEU 42 HD23 LEU 42 -3.092 -2.986 -5.763 322 H ALA 43 HN ALA 43 -3.468 -7.021 -3.138 323 HA ALA 43 HA ALA 43 -0.766 -5.858 -3.327 324 HB1 ALA 43 HB1 ALA 43 -1.644 -7.591 -1.352 325 HB2 ALA 43 HB2 ALA 43 -0.798 -8.638 -2.493 326 HB3 ALA 43 HB3 ALA 43 0.035 -7.257 -1.780 327 H ILE 44 HN ILE 44 -0.215 -5.965 -5.389 328 HA ILE 44 HA ILE 44 -1.116 -8.244 -7.002 329 HB ILE 44 HB ILE 44 0.021 -6.525 -8.800 330 HG12 ILE 44 HG12 ILE 44 -1.542 -4.433 -7.768 331 HG13 ILE 44 HG13 ILE 44 -0.558 -4.987 -6.416 332 HG21 ILE 44 HG21 ILE 44 -1.969 -6.955 -9.670 333 HG22 ILE 44 HG22 ILE 44 -2.579 -7.455 -8.091 334 HG23 ILE 44 HG23 ILE 44 -2.686 -5.766 -8.584 335 HD11 ILE 44 HD11 ILE 44 0.836 -4.592 -8.985 336 HD12 ILE 44 HD12 ILE 44 0.254 -3.146 -8.163 337 HD13 ILE 44 HD13 ILE 44 1.360 -4.243 -7.337 338 H VAL 45 HN VAL 45 0.372 -9.183 -8.507 339 HA VAL 45 HA VAL 45 2.993 -9.617 -7.470 340 HB VAL 45 HB VAL 45 1.725 -10.365 -10.112 341 HG11 VAL 45 HG11 VAL 45 4.347 -10.149 -9.924 342 HG12 VAL 45 HG12 VAL 45 4.183 -11.716 -9.133 343 HG13 VAL 45 HG13 VAL 45 3.592 -11.492 -10.779 344 HG21 VAL 45 HG21 VAL 45 0.686 -11.850 -8.809 345 HG22 VAL 45 HG22 VAL 45 2.248 -12.665 -8.710 346 HG23 VAL 45 HG23 VAL 45 1.759 -11.536 -7.445 347 HA PRO 46 HA PRO 46 4.991 -5.925 -8.983 348 HB2 PRO 46 HB2 PRO 46 7.268 -7.864 -9.107 349 HB3 PRO 46 HB3 PRO 46 7.213 -6.233 -8.425 350 HG2 PRO 46 HG2 PRO 46 7.129 -8.361 -6.836 351 HG3 PRO 46 HG3 PRO 46 6.137 -6.930 -6.493 352 HD2 PRO 46 HD2 PRO 46 5.331 -9.582 -7.579 353 HD3 PRO 46 HD3 PRO 46 4.421 -8.454 -6.553 354 H GLY 47 HN GLY 47 4.474 -5.376 -10.983 355 HA2 GLY 47 HA1 GLY 47 5.578 -5.525 -13.291 356 HA3 GLY 47 HA2 GLY 47 5.110 -7.220 -13.192 357 H THR 48 HN THR 48 2.643 -6.880 -11.898 358 HA THR 48 HA THR 48 0.964 -6.011 -14.062 359 HB THR 48 HB THR 48 -0.312 -6.430 -11.445 360 HG1 THR 48 HG1 THR 48 1.320 -7.931 -11.139 361 HG21 THR 48 HG21 THR 48 -0.732 -7.095 -14.283 362 HG22 THR 48 HG22 THR 48 -1.897 -6.630 -13.041 363 HG23 THR 48 HG23 THR 48 -1.321 -8.295 -13.132 364 H SER 49 HN SER 49 0.556 -3.960 -14.440 365 HA SER 49 HA SER 49 1.019 -1.951 -12.490 366 HB2 SER 49 HB2 SER 49 -0.478 -0.961 -14.733 367 HB3 SER 49 HB3 SER 49 1.220 -0.688 -14.334 368 HG SER 49 HG SER 49 0.115 -2.322 -16.215 369 HA PRO 50 HA PRO 50 -2.986 -2.278 -10.609 370 HB2 PRO 50 HB2 PRO 50 -2.827 -0.008 -9.084 371 HB3 PRO 50 HB3 PRO 50 -2.064 -1.541 -8.652 372 HG2 PRO 50 HG2 PRO 50 -0.863 0.878 -9.932 373 HG3 PRO 50 HG3 PRO 50 -0.190 -0.176 -8.674 374 HD2 PRO 50 HD2 PRO 50 0.554 -0.353 -11.267 375 HD3 PRO 50 HD3 PRO 50 0.482 -1.771 -10.201 376 H ASP 51 HN ASP 51 -1.978 0.242 -12.672 377 HA ASP 51 HA ASP 51 -4.345 1.841 -12.567 378 HB2 ASP 51 HB2 ASP 51 -2.057 2.567 -13.441 379 HB3 ASP 51 HB3 ASP 51 -2.411 1.623 -14.885 380 H ALA 52 HN ALA 52 -3.438 -1.126 -13.995 381 HA ALA 52 HA ALA 52 -5.380 -1.058 -16.102 382 HB1 ALA 52 HB1 ALA 52 -4.726 -3.284 -16.606 383 HB2 ALA 52 HB2 ALA 52 -3.256 -2.423 -16.147 384 HB3 ALA 52 HB3 ALA 52 -4.036 -3.513 -14.999 385 H LEU 53 HN LEU 53 -5.219 -2.068 -12.818 386 HA LEU 53 HA LEU 53 -7.662 -3.555 -12.805 387 HB2 LEU 53 HB2 LEU 53 -6.207 -2.300 -10.475 388 HB3 LEU 53 HB3 LEU 53 -7.395 -3.588 -10.402 389 HG LEU 53 HG LEU 53 -4.803 -3.933 -11.886 390 HD11 LEU 53 HD11 LEU 53 -5.341 -4.278 -8.953 391 HD12 LEU 53 HD12 LEU 53 -4.033 -5.114 -9.790 392 HD13 LEU 53 HD13 LEU 53 -4.061 -3.352 -9.733 393 HD21 LEU 53 HD21 LEU 53 -6.763 -5.504 -12.194 394 HD22 LEU 53 HD22 LEU 53 -5.241 -6.245 -11.698 395 HD23 LEU 53 HD23 LEU 53 -6.523 -5.985 -10.514 396 H THR 54 HN THR 54 -6.651 -0.277 -12.034 397 HA THR 54 HA THR 54 -9.092 0.718 -11.083 398 HB THR 54 HB THR 54 -7.666 2.663 -12.702 399 HG1 THR 54 HG1 THR 54 -6.135 1.228 -10.773 400 HG21 THR 54 HG21 THR 54 -9.088 2.693 -10.405 401 HG22 THR 54 HG22 THR 54 -7.975 3.973 -10.887 402 HG23 THR 54 HG23 THR 54 -7.444 2.718 -9.764 403 H ALA 55 HN ALA 55 -7.723 0.679 -14.363 404 HA ALA 55 HA ALA 55 -9.989 1.794 -15.638 405 HB1 ALA 55 HB1 ALA 55 -8.970 0.844 -17.721 406 HB2 ALA 55 HB2 ALA 55 -7.886 1.856 -16.767 407 HB3 ALA 55 HB3 ALA 55 -7.735 0.101 -16.704 408 H ALA 56 HN ALA 56 -9.068 -1.499 -14.822 409 HA ALA 56 HA ALA 56 -11.071 -2.842 -16.260 410 HB1 ALA 56 HB1 ALA 56 -10.755 -4.365 -13.988 411 HB2 ALA 56 HB2 ALA 56 -9.784 -4.483 -15.454 412 HB3 ALA 56 HB3 ALA 56 -9.223 -3.498 -14.105 413 H VAL 57 HN VAL 57 -11.090 -1.622 -12.907 414 HA VAL 57 HA VAL 57 -13.759 -2.408 -12.390 415 HB VAL 57 HB VAL 57 -12.168 -0.230 -11.059 416 HG11 VAL 57 HG11 VAL 57 -14.869 -1.309 -10.595 417 HG12 VAL 57 HG12 VAL 57 -13.860 -1.127 -9.160 418 HG13 VAL 57 HG13 VAL 57 -14.190 0.267 -10.187 419 HG21 VAL 57 HG21 VAL 57 -12.267 -2.329 -9.320 420 HG22 VAL 57 HG22 VAL 57 -12.114 -3.146 -10.875 421 HG23 VAL 57 HG23 VAL 57 -10.908 -1.955 -10.382 422 H ALA 58 HN ALA 58 -12.347 0.653 -13.525 423 HA ALA 58 HA ALA 58 -14.742 2.123 -13.583 424 HB1 ALA 58 HB1 ALA 58 -12.036 2.435 -14.601 425 HB2 ALA 58 HB2 ALA 58 -13.251 3.157 -15.656 426 HB3 ALA 58 HB3 ALA 58 -13.150 3.644 -13.963 427 H GLY 59 HN GLY 59 -13.280 -0.048 -15.921 428 HA2 GLY 59 HA1 GLY 59 -15.221 0.519 -17.976 429 HA3 GLY 59 HA2 GLY 59 -14.011 -0.755 -18.003 430 H LEU 60 HN LEU 60 -15.289 -1.313 -15.158 431 HA LEU 60 HA LEU 60 -17.014 -3.396 -16.182 432 HB2 LEU 60 HB2 LEU 60 -15.441 -2.962 -13.814 433 HB3 LEU 60 HB3 LEU 60 -17.069 -3.448 -13.383 434 HG LEU 60 HG LEU 60 -15.707 -5.044 -15.479 435 HD11 LEU 60 HD11 LEU 60 -14.980 -6.217 -13.034 436 HD12 LEU 60 HD12 LEU 60 -13.917 -5.547 -14.273 437 HD13 LEU 60 HD13 LEU 60 -14.479 -4.527 -12.947 438 HD21 LEU 60 HD21 LEU 60 -17.004 -6.295 -13.160 439 HD22 LEU 60 HD22 LEU 60 -18.051 -5.263 -14.133 440 HD23 LEU 60 HD23 LEU 60 -17.202 -6.614 -14.882 441 H GLY 61 HN GLY 61 -17.602 -0.360 -15.846 442 HA2 GLY 61 HA1 GLY 61 -19.754 0.605 -15.927 443 HA3 GLY 61 HA2 GLY 61 -20.388 -0.795 -15.070 444 H TYR 62 HN TYR 62 -17.732 -0.139 -13.418 445 HA TYR 62 HA TYR 62 -19.117 1.641 -11.544 446 HB2 TYR 62 HB2 TYR 62 -16.688 -0.031 -10.911 447 HB3 TYR 62 HB3 TYR 62 -17.858 0.659 -9.798 448 HD1 TYR 62 HD2 TYR 62 -20.411 -0.222 -10.526 449 HD2 TYR 62 HD1 TYR 62 -16.736 -2.322 -10.961 450 HE1 TYR 62 HE2 TYR 62 -21.631 -2.357 -10.475 451 HE2 TYR 62 HE1 TYR 62 -17.945 -4.462 -10.910 452 HH TYR 62 HH TYR 62 -20.424 -5.204 -11.497 453 H LYS 63 HN LYS 63 -16.902 2.507 -10.087 454 HA LYS 63 HA LYS 63 -15.093 3.667 -12.078 455 HB2 LYS 63 HB2 LYS 63 -17.064 5.175 -10.991 456 HB3 LYS 63 HB3 LYS 63 -15.805 5.400 -9.785 457 HG2 LYS 63 HG2 LYS 63 -14.577 5.717 -12.297 458 HG3 LYS 63 HG3 LYS 63 -16.088 6.629 -12.345 459 HD2 LYS 63 HD2 LYS 63 -15.353 8.155 -10.856 460 HD3 LYS 63 HD3 LYS 63 -14.549 6.939 -9.861 461 HE2 LYS 63 HE2 LYS 63 -12.586 7.539 -10.707 462 HE3 LYS 63 HE3 LYS 63 -13.152 7.122 -12.323 463 HZ1 LYS 63 HZ1 LYS 63 -13.675 9.272 -12.797 464 HZ2 LYS 63 HZ2 LYS 63 -12.361 9.528 -11.760 465 HZ3 LYS 63 HZ3 LYS 63 -13.944 9.703 -11.178 466 H ALA 64 HN ALA 64 -12.988 3.595 -11.471 467 HA ALA 64 HA ALA 64 -12.461 2.961 -8.644 468 HB1 ALA 64 HB1 ALA 64 -11.988 1.291 -10.783 469 HB2 ALA 64 HB2 ALA 64 -10.412 2.019 -10.468 470 HB3 ALA 64 HB3 ALA 64 -11.263 1.168 -9.180 471 H THR 65 HN THR 65 -10.968 4.105 -7.627 472 HA THR 65 HA THR 65 -9.094 5.732 -9.200 473 HB THR 65 HB THR 65 -9.324 7.220 -6.947 474 HG1 THR 65 HG1 THR 65 -11.973 6.294 -7.490 475 HG21 THR 65 HG21 THR 65 -10.861 7.379 -9.526 476 HG22 THR 65 HG22 THR 65 -9.432 8.289 -9.038 477 HG23 THR 65 HG23 THR 65 -10.990 8.630 -8.289 478 H LEU 66 HN LEU 66 -7.719 6.673 -6.817 479 HA LEU 66 HA LEU 66 -7.109 4.279 -5.309 480 HB2 LEU 66 HB2 LEU 66 -4.966 3.902 -5.987 481 HB3 LEU 66 HB3 LEU 66 -5.682 4.421 -7.499 482 HG LEU 66 HG LEU 66 -4.627 6.705 -6.110 483 HD11 LEU 66 HD11 LEU 66 -2.693 6.018 -5.267 484 HD12 LEU 66 HD12 LEU 66 -3.138 4.352 -5.633 485 HD13 LEU 66 HD13 LEU 66 -2.246 5.307 -6.816 486 HD21 LEU 66 HD21 LEU 66 -5.057 6.014 -8.646 487 HD22 LEU 66 HD22 LEU 66 -3.875 7.239 -8.183 488 HD23 LEU 66 HD23 LEU 66 -3.347 5.595 -8.537 489 H ALA 67 HN ALA 67 -6.579 4.698 -3.317 490 HA ALA 67 HA ALA 67 -5.577 7.363 -2.600 491 HB1 ALA 67 HB1 ALA 67 -7.394 7.763 -1.372 492 HB2 ALA 67 HB2 ALA 67 -8.077 6.208 -1.845 493 HB3 ALA 67 HB3 ALA 67 -7.052 6.322 -0.414 494 H ASP 68 HN ASP 68 -3.565 6.142 -2.839 495 HA ASP 68 HA ASP 68 -3.052 3.889 -1.190 496 HB2 ASP 68 HB2 ASP 68 -1.993 4.446 -3.470 497 HB3 ASP 68 HB3 ASP 68 -0.928 5.514 -2.557 498 H ALA 69 HN ALA 69 -3.824 5.284 0.697 499 HA ALA 69 HA ALA 69 -1.457 6.016 2.214 500 HB1 ALA 69 HB1 ALA 69 -3.818 7.885 2.127 501 HB2 ALA 69 HB2 ALA 69 -2.257 8.144 2.905 502 HB3 ALA 69 HB3 ALA 69 -2.373 8.119 1.146 Start of MODEL 18 1 H1 MET 1 H1 MET 1 -0.778 -3.748 -2.460 2 H2 MET 1 H2 MET 1 0.077 -4.087 -1.036 3 H3 MET 1 H3 MET 1 0.616 -4.712 -2.515 4 HA MET 1 HA MET 1 1.555 -2.492 -1.348 5 HB2 MET 1 HB2 MET 1 2.428 -3.885 -3.307 6 HB3 MET 1 HB3 MET 1 1.459 -2.845 -4.343 7 HG2 MET 1 HG2 MET 1 2.959 -1.160 -2.650 8 HG3 MET 1 HG3 MET 1 4.056 -2.394 -3.269 9 HE1 MET 1 HE1 MET 1 4.203 -3.042 -5.760 10 HE2 MET 1 HE2 MET 1 4.460 -1.731 -6.911 11 HE3 MET 1 HE3 MET 1 5.422 -1.808 -5.432 12 H THR 2 HN THR 2 -0.092 -2.047 -4.458 13 HA THR 2 HA THR 2 -0.641 0.675 -3.901 14 HB THR 2 HB THR 2 -2.215 -0.583 -6.035 15 HG1 THR 2 HG1 THR 2 0.425 -0.507 -6.786 16 HG21 THR 2 HG21 THR 2 -1.689 1.327 -7.180 17 HG22 THR 2 HG22 THR 2 -0.064 1.417 -6.503 18 HG23 THR 2 HG23 THR 2 -1.451 1.914 -5.535 19 H HIS 3 HN HIS 3 -2.339 1.587 -2.934 20 HA HIS 3 HA HIS 3 -4.694 -0.042 -2.342 21 HB2 HIS 3 HB2 HIS 3 -4.013 2.767 -1.463 22 HB3 HIS 3 HB3 HIS 3 -5.417 1.855 -0.943 23 HD1 HIS 3 HD1 HIS 3 -3.786 2.807 1.287 24 HD2 HIS 3 HD2 HIS 3 -2.868 -0.741 -0.686 25 HE1 HIS 3 HE1 HIS 3 -2.400 1.467 2.904 26 HE2 HIS 3 HE2 HIS 3 -1.991 -0.737 1.753 27 H LEU 4 HN LEU 4 -6.630 0.309 -3.235 28 HA LEU 4 HA LEU 4 -6.755 2.321 -5.376 29 HB2 LEU 4 HB2 LEU 4 -7.746 -0.461 -5.139 30 HB3 LEU 4 HB3 LEU 4 -8.797 0.669 -5.967 31 HG LEU 4 HG LEU 4 -6.461 1.193 -7.223 32 HD11 LEU 4 HD11 LEU 4 -6.283 -1.552 -6.103 33 HD12 LEU 4 HD12 LEU 4 -5.725 -1.287 -7.756 34 HD13 LEU 4 HD13 LEU 4 -5.009 -0.374 -6.427 35 HD21 LEU 4 HD21 LEU 4 -7.460 -0.863 -8.731 36 HD22 LEU 4 HD22 LEU 4 -8.853 -0.388 -7.757 37 HD23 LEU 4 HD23 LEU 4 -8.033 0.806 -8.763 38 H LYS 5 HN LYS 5 -8.623 3.565 -5.585 39 HA LYS 5 HA LYS 5 -10.203 3.744 -3.120 40 HB2 LYS 5 HB2 LYS 5 -9.004 5.782 -3.905 41 HB3 LYS 5 HB3 LYS 5 -9.966 5.744 -5.376 42 HG2 LYS 5 HG2 LYS 5 -11.133 7.268 -4.141 43 HG3 LYS 5 HG3 LYS 5 -11.976 5.782 -3.697 44 HD2 LYS 5 HD2 LYS 5 -10.584 5.619 -1.676 45 HD3 LYS 5 HD3 LYS 5 -9.786 7.131 -2.118 46 HE2 LYS 5 HE2 LYS 5 -12.700 7.305 -2.089 47 HE3 LYS 5 HE3 LYS 5 -12.006 6.888 -0.521 48 HZ1 LYS 5 HZ1 LYS 5 -12.008 9.177 -0.494 49 HZ2 LYS 5 HZ2 LYS 5 -11.613 9.320 -2.135 50 HZ3 LYS 5 HZ3 LYS 5 -10.429 8.846 -1.015 51 H ILE 6 HN ILE 6 -12.264 3.142 -3.105 52 HA ILE 6 HA ILE 6 -13.493 2.450 -5.681 53 HB ILE 6 HB ILE 6 -13.424 1.144 -3.083 54 HG12 ILE 6 HG12 ILE 6 -14.274 -0.766 -4.535 55 HG13 ILE 6 HG13 ILE 6 -14.231 0.366 -5.882 56 HG21 ILE 6 HG21 ILE 6 -16.110 1.776 -4.241 57 HG22 ILE 6 HG22 ILE 6 -15.839 0.274 -3.355 58 HG23 ILE 6 HG23 ILE 6 -15.578 1.828 -2.561 59 HD11 ILE 6 HD11 ILE 6 -12.128 -0.232 -6.199 60 HD12 ILE 6 HD12 ILE 6 -11.728 0.569 -4.679 61 HD13 ILE 6 HD13 ILE 6 -12.105 -1.153 -4.696 62 H THR 7 HN THR 7 -15.235 3.556 -6.380 63 HA THR 7 HA THR 7 -16.739 5.184 -4.492 64 HB THR 7 HB THR 7 -16.290 6.865 -6.703 65 HG1 THR 7 HG1 THR 7 -14.388 5.485 -7.043 66 HG21 THR 7 HG21 THR 7 -15.635 8.397 -5.097 67 HG22 THR 7 HG22 THR 7 -14.809 7.179 -4.125 68 HG23 THR 7 HG23 THR 7 -16.571 7.255 -4.136 69 H GLY 8 HN GLY 8 -18.788 5.823 -5.252 70 HA2 GLY 8 HA1 GLY 8 -20.563 5.995 -6.742 71 HA3 GLY 8 HA2 GLY 8 -19.573 5.245 -7.980 72 H MET 9 HN MET 9 -18.984 2.996 -6.043 73 HA MET 9 HA MET 9 -21.166 1.351 -6.942 74 HB2 MET 9 HB2 MET 9 -19.139 0.238 -5.094 75 HB3 MET 9 HB3 MET 9 -19.822 -0.442 -6.560 76 HG2 MET 9 HG2 MET 9 -18.508 1.143 -7.880 77 HG3 MET 9 HG3 MET 9 -17.760 1.739 -6.401 78 HE1 MET 9 HE1 MET 9 -18.008 -0.851 -4.905 79 HE2 MET 9 HE2 MET 9 -17.135 -2.264 -5.501 80 HE3 MET 9 HE3 MET 9 -16.251 -0.924 -4.773 81 H THR 10 HN THR 10 -20.573 3.153 -4.175 82 HA THR 10 HA THR 10 -21.403 3.292 -2.092 83 HB THR 10 HB THR 10 -23.515 1.482 -3.204 84 HG1 THR 10 HG1 THR 10 -23.971 3.073 -4.488 85 HG21 THR 10 HG21 THR 10 -24.115 3.679 -1.290 86 HG22 THR 10 HG22 THR 10 -23.381 2.210 -0.649 87 HG23 THR 10 HG23 THR 10 -24.924 2.126 -1.498 88 H CYS 11 HN CYS 11 -19.734 0.883 -3.058 89 HA CYS 11 HA CYS 11 -18.892 -1.095 -2.321 90 HB2 CYS 11 HB2 CYS 11 -19.306 -0.668 0.455 91 HB3 CYS 11 HB3 CYS 11 -17.815 -0.754 -0.445 92 HG CYS 11 HG CYS 11 -18.122 1.674 1.095 93 H ASP 12 HN ASP 12 -19.278 -2.717 -0.193 94 HA ASP 12 HA ASP 12 -20.418 -4.568 0.411 95 HB2 ASP 12 HB2 ASP 12 -21.684 -2.805 1.666 96 HB3 ASP 12 HB3 ASP 12 -22.871 -2.806 0.362 97 H SER 13 HN SER 13 -20.610 -6.215 -0.885 98 HA SER 13 HA SER 13 -21.220 -7.587 -2.575 99 HB2 SER 13 HB2 SER 13 -23.610 -5.744 -2.798 100 HB3 SER 13 HB3 SER 13 -23.420 -7.234 -3.723 101 HG SER 13 HG SER 13 -24.200 -6.887 -1.140 102 H CYS 14 HN CYS 14 -21.809 -4.195 -3.524 103 HA CYS 14 HA CYS 14 -20.750 -4.412 -6.117 104 HB2 CYS 14 HB2 CYS 14 -20.590 -2.030 -4.246 105 HB3 CYS 14 HB3 CYS 14 -20.434 -1.985 -5.993 106 HG CYS 14 HG CYS 14 -22.973 -1.020 -4.852 107 H ALA 15 HN ALA 15 -19.281 -3.861 -2.967 108 HA ALA 15 HA ALA 15 -16.623 -3.567 -4.004 109 HB1 ALA 15 HB1 ALA 15 -16.471 -4.342 -1.305 110 HB2 ALA 15 HB2 ALA 15 -16.356 -2.711 -1.965 111 HB3 ALA 15 HB3 ALA 15 -17.919 -3.346 -1.450 112 H ALA 16 HN ALA 16 -18.677 -6.193 -3.156 113 HA ALA 16 HA ALA 16 -16.600 -8.126 -2.750 114 HB1 ALA 16 HB1 ALA 16 -19.177 -9.227 -3.505 115 HB2 ALA 16 HB2 ALA 16 -18.246 -9.435 -2.020 116 HB3 ALA 16 HB3 ALA 16 -19.305 -8.036 -2.211 117 H HIS 17 HN HIS 17 -18.866 -7.385 -5.402 118 HA HIS 17 HA HIS 17 -17.804 -9.341 -7.151 119 HB2 HIS 17 HB2 HIS 17 -19.973 -7.638 -7.236 120 HB3 HIS 17 HB3 HIS 17 -18.921 -6.997 -8.498 121 HD1 HIS 17 HD1 HIS 17 -18.871 -10.673 -7.848 122 HD2 HIS 17 HD2 HIS 17 -20.673 -7.989 -10.480 123 HE1 HIS 17 HE1 HIS 17 -19.845 -12.073 -9.695 124 HE2 HIS 17 HE2 HIS 17 -21.088 -10.453 -11.166 125 H VAL 18 HN VAL 18 -17.017 -5.960 -6.561 126 HA VAL 18 HA VAL 18 -15.105 -5.713 -8.636 127 HB VAL 18 HB VAL 18 -15.838 -4.182 -6.218 128 HG11 VAL 18 HG11 VAL 18 -13.154 -3.609 -7.439 129 HG12 VAL 18 HG12 VAL 18 -13.875 -2.911 -5.989 130 HG13 VAL 18 HG13 VAL 18 -13.334 -4.589 -5.986 131 HG21 VAL 18 HG21 VAL 18 -16.546 -3.761 -8.601 132 HG22 VAL 18 HG22 VAL 18 -15.905 -2.371 -7.726 133 HG23 VAL 18 HG23 VAL 18 -14.896 -3.216 -8.901 134 H LYS 19 HN LYS 19 -14.927 -6.741 -5.267 135 HA LYS 19 HA LYS 19 -12.200 -7.216 -5.040 136 HB2 LYS 19 HB2 LYS 19 -14.175 -7.410 -3.330 137 HB3 LYS 19 HB3 LYS 19 -14.214 -9.088 -3.848 138 HG2 LYS 19 HG2 LYS 19 -11.951 -9.415 -3.119 139 HG3 LYS 19 HG3 LYS 19 -11.791 -7.699 -2.732 140 HD2 LYS 19 HD2 LYS 19 -12.704 -8.002 -0.728 141 HD3 LYS 19 HD3 LYS 19 -14.102 -8.816 -1.433 142 HE2 LYS 19 HE2 LYS 19 -11.520 -9.995 -0.469 143 HE3 LYS 19 HE3 LYS 19 -13.169 -10.413 -0.007 144 HZ1 LYS 19 HZ1 LYS 19 -11.813 -11.009 -2.582 145 HZ2 LYS 19 HZ2 LYS 19 -13.474 -11.241 -2.315 146 HZ3 LYS 19 HZ3 LYS 19 -12.339 -12.119 -1.411 147 H GLU 20 HN GLU 20 -14.780 -9.394 -6.129 148 HA GLU 20 HA GLU 20 -13.092 -11.567 -6.724 149 HB2 GLU 20 HB2 GLU 20 -15.805 -10.897 -7.871 150 HB3 GLU 20 HB3 GLU 20 -15.007 -12.459 -7.986 151 HG2 GLU 20 HG2 GLU 20 -15.240 -12.874 -5.700 152 HG3 GLU 20 HG3 GLU 20 -15.614 -11.189 -5.346 153 H ALA 21 HN ALA 21 -14.199 -8.838 -8.649 154 HA ALA 21 HA ALA 21 -13.227 -9.720 -11.139 155 HB1 ALA 21 HB1 ALA 21 -14.687 -7.622 -10.436 156 HB2 ALA 21 HB2 ALA 21 -13.115 -6.823 -10.483 157 HB3 ALA 21 HB3 ALA 21 -13.734 -7.635 -11.920 158 H LEU 22 HN LEU 22 -11.728 -7.956 -8.486 159 HA LEU 22 HA LEU 22 -9.233 -7.513 -9.768 160 HB2 LEU 22 HB2 LEU 22 -10.014 -7.597 -6.857 161 HB3 LEU 22 HB3 LEU 22 -8.422 -7.138 -7.424 162 HG LEU 22 HG LEU 22 -10.833 -5.674 -8.427 163 HD11 LEU 22 HD11 LEU 22 -10.769 -4.157 -6.596 164 HD12 LEU 22 HD12 LEU 22 -10.931 -5.781 -5.929 165 HD13 LEU 22 HD13 LEU 22 -9.367 -4.967 -5.898 166 HD21 LEU 22 HD21 LEU 22 -7.898 -5.188 -8.199 167 HD22 LEU 22 HD22 LEU 22 -8.968 -4.975 -9.585 168 HD23 LEU 22 HD23 LEU 22 -9.011 -3.822 -8.250 169 H GLU 23 HN GLU 23 -10.453 -10.005 -7.572 170 HA GLU 23 HA GLU 23 -7.984 -11.435 -7.486 171 HB2 GLU 23 HB2 GLU 23 -10.736 -11.852 -6.451 172 HB3 GLU 23 HB3 GLU 23 -9.693 -13.264 -6.590 173 HG2 GLU 23 HG2 GLU 23 -8.134 -12.406 -5.080 174 HG3 GLU 23 HG3 GLU 23 -8.772 -10.769 -5.215 175 H LYS 24 HN LYS 24 -10.434 -11.228 -9.798 176 HA LYS 24 HA LYS 24 -10.092 -13.819 -10.969 177 HB2 LYS 24 HB2 LYS 24 -12.033 -12.965 -11.799 178 HB3 LYS 24 HB3 LYS 24 -11.489 -11.304 -11.642 179 HG2 LYS 24 HG2 LYS 24 -11.130 -11.197 -13.822 180 HG3 LYS 24 HG3 LYS 24 -9.998 -12.545 -13.725 181 HD2 LYS 24 HD2 LYS 24 -11.598 -14.108 -14.281 182 HD3 LYS 24 HD3 LYS 24 -12.930 -13.098 -13.715 183 HE2 LYS 24 HE2 LYS 24 -12.995 -13.199 -16.120 184 HE3 LYS 24 HE3 LYS 24 -12.523 -11.573 -15.632 185 HZ1 LYS 24 HZ1 LYS 24 -11.209 -12.545 -17.499 186 HZ2 LYS 24 HZ2 LYS 24 -10.570 -13.671 -16.400 187 HZ3 LYS 24 HZ3 LYS 24 -10.280 -12.013 -16.185 188 H VAL 25 HN VAL 25 -8.399 -10.843 -10.974 189 HA VAL 25 HA VAL 25 -6.790 -11.347 -13.298 190 HB VAL 25 HB VAL 25 -6.487 -9.387 -11.014 191 HG11 VAL 25 HG11 VAL 25 -4.555 -8.577 -11.866 192 HG12 VAL 25 HG12 VAL 25 -4.404 -10.205 -12.521 193 HG13 VAL 25 HG13 VAL 25 -5.027 -8.904 -13.534 194 HG21 VAL 25 HG21 VAL 25 -7.265 -7.732 -12.587 195 HG22 VAL 25 HG22 VAL 25 -7.319 -8.934 -13.876 196 HG23 VAL 25 HG23 VAL 25 -8.427 -9.055 -12.509 197 HA PRO 26 HA PRO 26 -4.314 -14.347 -11.128 198 HB2 PRO 26 HB2 PRO 26 -2.535 -14.816 -13.137 199 HB3 PRO 26 HB3 PRO 26 -4.174 -15.475 -13.112 200 HG2 PRO 26 HG2 PRO 26 -3.109 -13.098 -14.578 201 HG3 PRO 26 HG3 PRO 26 -4.236 -14.350 -15.135 202 HD2 PRO 26 HD2 PRO 26 -5.053 -11.894 -14.319 203 HD3 PRO 26 HD3 PRO 26 -6.041 -13.353 -14.120 204 H GLY 27 HN GLY 27 -3.399 -11.223 -11.861 205 HA2 GLY 27 HA1 GLY 27 -0.643 -11.534 -10.949 206 HA3 GLY 27 HA2 GLY 27 -1.403 -10.030 -11.450 207 H VAL 28 HN VAL 28 -3.570 -11.477 -9.491 208 HA VAL 28 HA VAL 28 -2.759 -9.777 -7.265 209 HB VAL 28 HB VAL 28 -5.137 -9.911 -8.420 210 HG11 VAL 28 HG11 VAL 28 -5.035 -12.427 -7.187 211 HG12 VAL 28 HG12 VAL 28 -6.153 -11.454 -6.230 212 HG13 VAL 28 HG13 VAL 28 -6.420 -11.657 -7.960 213 HG21 VAL 28 HG21 VAL 28 -4.188 -9.171 -5.779 214 HG22 VAL 28 HG22 VAL 28 -5.255 -8.303 -6.883 215 HG23 VAL 28 HG23 VAL 28 -5.915 -9.528 -5.801 216 H GLN 29 HN GLN 29 -2.444 -10.486 -5.210 217 HA GLN 29 HA GLN 29 -2.371 -13.382 -4.763 218 HB2 GLN 29 HB2 GLN 29 -1.396 -11.276 -2.842 219 HB3 GLN 29 HB3 GLN 29 -0.943 -12.972 -2.923 220 HG2 GLN 29 HG2 GLN 29 -0.302 -11.634 -5.387 221 HG3 GLN 29 HG3 GLN 29 0.413 -10.795 -4.013 222 HE21 GLN 29 HE21 GLN 29 2.414 -11.404 -3.699 223 HE22 GLN 29 HE22 GLN 29 3.031 -13.015 -3.857 224 H SER 30 HN SER 30 -3.660 -10.346 -3.435 225 HA SER 30 HA SER 30 -6.107 -11.650 -2.715 226 HB2 SER 30 HB2 SER 30 -4.050 -11.119 -0.661 227 HB3 SER 30 HB3 SER 30 -5.670 -10.549 -0.267 228 HG SER 30 HG SER 30 -6.151 -12.884 -1.148 229 H ALA 31 HN ALA 31 -7.607 -10.228 -3.259 230 HA ALA 31 HA ALA 31 -7.052 -7.375 -3.129 231 HB1 ALA 31 HB1 ALA 31 -8.967 -9.091 -4.558 232 HB2 ALA 31 HB2 ALA 31 -9.610 -7.544 -4.008 233 HB3 ALA 31 HB3 ALA 31 -8.197 -7.587 -5.062 234 H LEU 32 HN LEU 32 -7.191 -6.692 -1.050 235 HA LEU 32 HA LEU 32 -9.428 -7.650 0.577 236 HB2 LEU 32 HB2 LEU 32 -6.926 -6.136 1.322 237 HB3 LEU 32 HB3 LEU 32 -8.183 -6.593 2.456 238 HG LEU 32 HG LEU 32 -7.120 -8.835 0.887 239 HD11 LEU 32 HD11 LEU 32 -5.271 -6.977 2.002 240 HD12 LEU 32 HD12 LEU 32 -5.220 -8.467 2.942 241 HD13 LEU 32 HD13 LEU 32 -4.951 -8.514 1.200 242 HD21 LEU 32 HD21 LEU 32 -7.946 -9.933 2.627 243 HD22 LEU 32 HD22 LEU 32 -6.897 -9.052 3.737 244 HD23 LEU 32 HD23 LEU 32 -8.471 -8.390 3.302 245 H VAL 33 HN VAL 33 -10.778 -6.321 -0.902 246 HA VAL 33 HA VAL 33 -10.703 -3.473 -0.688 247 HB VAL 33 HB VAL 33 -13.101 -5.121 -1.469 248 HG11 VAL 33 HG11 VAL 33 -12.205 -2.328 -2.155 249 HG12 VAL 33 HG12 VAL 33 -13.570 -3.151 -2.910 250 HG13 VAL 33 HG13 VAL 33 -13.602 -2.795 -1.183 251 HG21 VAL 33 HG21 VAL 33 -12.117 -4.595 -3.848 252 HG22 VAL 33 HG22 VAL 33 -10.589 -4.579 -2.968 253 HG23 VAL 33 HG23 VAL 33 -11.602 -6.023 -2.950 254 H SER 34 HN SER 34 -11.406 -2.265 0.920 255 HA SER 34 HA SER 34 -13.038 -3.476 3.023 256 HB2 SER 34 HB2 SER 34 -11.757 -0.748 3.149 257 HB3 SER 34 HB3 SER 34 -12.215 -1.813 4.478 258 HG SER 34 HG SER 34 -10.553 -3.280 3.363 259 H TYR 35 HN TYR 35 -15.118 -3.351 2.465 260 HA TYR 35 HA TYR 35 -16.289 -1.345 0.917 261 HB2 TYR 35 HB2 TYR 35 -18.040 -2.704 0.919 262 HB3 TYR 35 HB3 TYR 35 -17.082 -3.795 1.891 263 HD1 TYR 35 HD1 TYR 35 -19.582 -1.042 2.140 264 HD2 TYR 35 HD2 TYR 35 -17.816 -4.427 4.019 265 HE1 TYR 35 HE1 TYR 35 -21.292 -0.948 3.901 266 HE2 TYR 35 HE2 TYR 35 -19.518 -4.333 5.792 267 HH TYR 35 HH TYR 35 -21.100 -2.931 6.766 268 HA PRO 36 HA PRO 36 -17.826 0.694 5.039 269 HB2 PRO 36 HB2 PRO 36 -15.663 0.159 6.951 270 HB3 PRO 36 HB3 PRO 36 -17.408 0.004 7.163 271 HG2 PRO 36 HG2 PRO 36 -15.794 -2.142 7.020 272 HG3 PRO 36 HG3 PRO 36 -17.444 -2.160 6.371 273 HD2 PRO 36 HD2 PRO 36 -14.842 -1.835 4.923 274 HD3 PRO 36 HD3 PRO 36 -16.271 -2.790 4.471 275 H LYS 37 HN LYS 37 -14.590 0.535 3.876 276 HA LYS 37 HA LYS 37 -14.040 3.270 4.790 277 HB2 LYS 37 HB2 LYS 37 -12.376 0.891 4.300 278 HB3 LYS 37 HB3 LYS 37 -11.686 2.407 3.745 279 HG2 LYS 37 HG2 LYS 37 -11.913 3.350 5.974 280 HG3 LYS 37 HG3 LYS 37 -12.660 1.856 6.538 281 HD2 LYS 37 HD2 LYS 37 -10.672 0.906 6.863 282 HD3 LYS 37 HD3 LYS 37 -10.147 1.322 5.231 283 HE2 LYS 37 HE2 LYS 37 -9.633 3.617 6.050 284 HE3 LYS 37 HE3 LYS 37 -10.014 3.072 7.684 285 HZ1 LYS 37 HZ1 LYS 37 -8.063 1.501 6.183 286 HZ2 LYS 37 HZ2 LYS 37 -8.106 1.895 7.833 287 HZ3 LYS 37 HZ3 LYS 37 -7.572 3.038 6.701 288 H GLY 38 HN GLY 38 -14.818 1.432 2.025 289 HA2 GLY 38 HA1 GLY 38 -15.133 2.063 -0.168 290 HA3 GLY 38 HA2 GLY 38 -14.820 3.721 0.329 291 H THR 39 HN THR 39 -12.568 1.132 0.912 292 HA THR 39 HA THR 39 -10.858 2.094 -1.269 293 HB THR 39 HB THR 39 -9.169 1.475 0.930 294 HG1 THR 39 HG1 THR 39 -11.295 3.275 1.539 295 HG21 THR 39 HG21 THR 39 -8.077 3.274 0.153 296 HG22 THR 39 HG22 THR 39 -9.493 4.311 0.324 297 HG23 THR 39 HG23 THR 39 -9.300 3.311 -1.116 298 H ALA 40 HN ALA 40 -9.153 0.568 -1.831 299 HA ALA 40 HA ALA 40 -9.790 -2.181 -0.973 300 HB1 ALA 40 HB1 ALA 40 -9.192 -2.889 -3.288 301 HB2 ALA 40 HB2 ALA 40 -10.650 -1.899 -3.188 302 HB3 ALA 40 HB3 ALA 40 -9.135 -1.184 -3.741 303 H GLN 41 HN GLN 41 -8.127 -3.164 -0.026 304 HA GLN 41 HA GLN 41 -5.407 -2.226 -0.519 305 HB2 GLN 41 HB2 GLN 41 -5.562 -2.602 1.745 306 HB3 GLN 41 HB3 GLN 41 -6.754 -3.876 1.562 307 HG2 GLN 41 HG2 GLN 41 -4.743 -4.799 2.468 308 HG3 GLN 41 HG3 GLN 41 -4.960 -5.408 0.831 309 HE21 GLN 41 HE21 GLN 41 -2.561 -5.791 1.650 310 HE22 GLN 41 HE22 GLN 41 -1.430 -4.617 1.062 311 H LEU 42 HN LEU 42 -4.672 -2.953 -2.420 312 HA LEU 42 HA LEU 42 -5.383 -5.661 -3.247 313 HB2 LEU 42 HB2 LEU 42 -4.653 -3.175 -4.649 314 HB3 LEU 42 HB3 LEU 42 -4.002 -4.645 -5.346 315 HG LEU 42 HG LEU 42 -6.247 -3.748 -6.233 316 HD11 LEU 42 HD11 LEU 42 -5.249 -6.414 -5.781 317 HD12 LEU 42 HD12 LEU 42 -7.012 -6.389 -5.862 318 HD13 LEU 42 HD13 LEU 42 -6.059 -5.733 -7.193 319 HD21 LEU 42 HD21 LEU 42 -6.960 -4.578 -3.495 320 HD22 LEU 42 HD22 LEU 42 -7.711 -3.384 -4.552 321 HD23 LEU 42 HD23 LEU 42 -8.055 -5.099 -4.775 322 H ALA 43 HN ALA 43 -4.031 -7.213 -2.713 323 HA ALA 43 HA ALA 43 -1.174 -6.647 -2.539 324 HB1 ALA 43 HB1 ALA 43 -1.259 -9.215 -1.929 325 HB2 ALA 43 HB2 ALA 43 -1.691 -7.981 -0.745 326 HB3 ALA 43 HB3 ALA 43 -2.957 -8.847 -1.616 327 H ILE 44 HN ILE 44 -0.890 -6.257 -4.775 328 HA ILE 44 HA ILE 44 -1.280 -8.555 -6.552 329 HB ILE 44 HB ILE 44 -0.406 -6.749 -8.273 330 HG12 ILE 44 HG12 ILE 44 -1.910 -4.734 -6.819 331 HG13 ILE 44 HG13 ILE 44 -0.470 -5.221 -5.932 332 HG21 ILE 44 HG21 ILE 44 -3.089 -5.956 -7.807 333 HG22 ILE 44 HG22 ILE 44 -2.468 -7.092 -9.005 334 HG23 ILE 44 HG23 ILE 44 -2.945 -7.667 -7.407 335 HD11 ILE 44 HD11 ILE 44 0.838 -4.795 -8.030 336 HD12 ILE 44 HD12 ILE 44 -0.627 -4.078 -8.703 337 HD13 ILE 44 HD13 ILE 44 0.125 -3.368 -7.273 338 H VAL 45 HN VAL 45 0.434 -9.267 -7.913 339 HA VAL 45 HA VAL 45 2.967 -9.331 -6.546 340 HB VAL 45 HB VAL 45 2.442 -10.374 -9.331 341 HG11 VAL 45 HG11 VAL 45 4.154 -11.714 -7.293 342 HG12 VAL 45 HG12 VAL 45 4.296 -11.689 -9.052 343 HG13 VAL 45 HG13 VAL 45 4.767 -10.275 -8.110 344 HG21 VAL 45 HG21 VAL 45 1.983 -11.957 -6.812 345 HG22 VAL 45 HG22 VAL 45 0.686 -11.115 -7.661 346 HG23 VAL 45 HG23 VAL 45 1.582 -12.399 -8.473 347 HA PRO 46 HA PRO 46 4.786 -5.663 -8.323 348 HB2 PRO 46 HB2 PRO 46 7.225 -7.390 -8.187 349 HB3 PRO 46 HB3 PRO 46 6.995 -5.725 -7.639 350 HG2 PRO 46 HG2 PRO 46 7.027 -7.736 -5.897 351 HG3 PRO 46 HG3 PRO 46 5.907 -6.375 -5.699 352 HD2 PRO 46 HD2 PRO 46 5.365 -9.156 -6.615 353 HD3 PRO 46 HD3 PRO 46 4.328 -8.045 -5.701 354 H GLY 47 HN GLY 47 4.562 -5.200 -10.389 355 HA2 GLY 47 HA1 GLY 47 5.679 -5.532 -12.624 356 HA3 GLY 47 HA2 GLY 47 5.314 -7.239 -12.396 357 H THR 48 HN THR 48 2.754 -6.842 -11.196 358 HA THR 48 HA THR 48 1.165 -6.503 -13.550 359 HB THR 48 HB THR 48 -0.146 -6.568 -10.887 360 HG1 THR 48 HG1 THR 48 1.465 -8.029 -10.435 361 HG21 THR 48 HG21 THR 48 -0.630 -7.504 -13.637 362 HG22 THR 48 HG22 THR 48 -1.770 -6.948 -12.411 363 HG23 THR 48 HG23 THR 48 -1.167 -8.605 -12.367 364 H SER 49 HN SER 49 0.181 -4.750 -14.269 365 HA SER 49 HA SER 49 0.639 -2.254 -12.992 366 HB2 SER 49 HB2 SER 49 -1.319 -2.319 -15.179 367 HB3 SER 49 HB3 SER 49 0.176 -1.394 -15.033 368 HG SER 49 HG SER 49 1.147 -2.848 -16.188 369 HA PRO 50 HA PRO 50 -3.145 -2.525 -10.625 370 HB2 PRO 50 HB2 PRO 50 -2.726 -0.374 -9.057 371 HB3 PRO 50 HB3 PRO 50 -1.858 -1.895 -8.819 372 HG2 PRO 50 HG2 PRO 50 -0.946 0.619 -10.148 373 HG3 PRO 50 HG3 PRO 50 -0.049 -0.469 -9.075 374 HD2 PRO 50 HD2 PRO 50 0.171 -0.469 -11.817 375 HD3 PRO 50 HD3 PRO 50 0.520 -1.872 -10.788 376 H ASP 51 HN ASP 51 -2.131 0.048 -12.654 377 HA ASP 51 HA ASP 51 -4.443 1.685 -12.368 378 HB2 ASP 51 HB2 ASP 51 -3.409 3.065 -13.852 379 HB3 ASP 51 HB3 ASP 51 -2.002 2.147 -13.368 380 H ALA 52 HN ALA 52 -3.618 -1.178 -13.960 381 HA ALA 52 HA ALA 52 -5.634 -1.087 -15.983 382 HB1 ALA 52 HB1 ALA 52 -4.253 -3.538 -14.906 383 HB2 ALA 52 HB2 ALA 52 -5.046 -3.351 -16.470 384 HB3 ALA 52 HB3 ALA 52 -3.554 -2.476 -16.128 385 H LEU 53 HN LEU 53 -5.394 -2.137 -12.695 386 HA LEU 53 HA LEU 53 -7.857 -3.564 -12.582 387 HB2 LEU 53 HB2 LEU 53 -6.494 -2.174 -10.281 388 HB3 LEU 53 HB3 LEU 53 -7.573 -3.553 -10.213 389 HG LEU 53 HG LEU 53 -4.855 -3.662 -11.517 390 HD11 LEU 53 HD11 LEU 53 -4.609 -5.099 -9.232 391 HD12 LEU 53 HD12 LEU 53 -4.061 -3.434 -9.429 392 HD13 LEU 53 HD13 LEU 53 -5.627 -3.766 -8.687 393 HD21 LEU 53 HD21 LEU 53 -6.772 -5.342 -12.007 394 HD22 LEU 53 HD22 LEU 53 -5.157 -5.953 -11.644 395 HD23 LEU 53 HD23 LEU 53 -6.406 -5.963 -10.398 396 H THR 54 HN THR 54 -6.822 -0.273 -11.848 397 HA THR 54 HA THR 54 -9.239 0.797 -10.985 398 HB THR 54 HB THR 54 -7.477 2.447 -12.732 399 HG1 THR 54 HG1 THR 54 -6.647 1.667 -10.126 400 HG21 THR 54 HG21 THR 54 -7.676 3.891 -10.578 401 HG22 THR 54 HG22 THR 54 -8.989 2.785 -10.175 402 HG23 THR 54 HG23 THR 54 -9.066 3.740 -11.655 403 H ALA 55 HN ALA 55 -7.865 0.659 -14.256 404 HA ALA 55 HA ALA 55 -10.086 1.838 -15.547 405 HB1 ALA 55 HB1 ALA 55 -8.738 0.042 -17.316 406 HB2 ALA 55 HB2 ALA 55 -8.671 1.804 -17.265 407 HB3 ALA 55 HB3 ALA 55 -7.545 0.850 -16.299 408 H ALA 56 HN ALA 56 -9.289 -1.484 -14.713 409 HA ALA 56 HA ALA 56 -11.331 -2.736 -16.207 410 HB1 ALA 56 HB1 ALA 56 -10.326 -3.771 -13.569 411 HB2 ALA 56 HB2 ALA 56 -10.888 -4.685 -14.968 412 HB3 ALA 56 HB3 ALA 56 -9.345 -3.834 -15.033 413 H VAL 57 HN VAL 57 -11.257 -1.508 -12.872 414 HA VAL 57 HA VAL 57 -13.928 -2.273 -12.275 415 HB VAL 57 HB VAL 57 -12.234 -0.152 -10.976 416 HG11 VAL 57 HG11 VAL 57 -14.965 -1.106 -10.463 417 HG12 VAL 57 HG12 VAL 57 -13.923 -0.989 -9.045 418 HG13 VAL 57 HG13 VAL 57 -14.204 0.431 -10.053 419 HG21 VAL 57 HG21 VAL 57 -12.745 -2.991 -10.111 420 HG22 VAL 57 HG22 VAL 57 -11.278 -2.433 -10.918 421 HG23 VAL 57 HG23 VAL 57 -11.696 -1.815 -9.320 422 H ALA 58 HN ALA 58 -12.462 0.776 -13.386 423 HA ALA 58 HA ALA 58 -14.795 2.317 -13.425 424 HB1 ALA 58 HB1 ALA 58 -13.567 3.900 -14.519 425 HB2 ALA 58 HB2 ALA 58 -12.261 2.902 -13.880 426 HB3 ALA 58 HB3 ALA 58 -12.770 2.719 -15.559 427 H GLY 59 HN GLY 59 -13.547 -0.006 -15.731 428 HA2 GLY 59 HA1 GLY 59 -15.502 0.616 -17.755 429 HA3 GLY 59 HA2 GLY 59 -14.397 -0.749 -17.757 430 H LEU 60 HN LEU 60 -15.579 -1.191 -14.882 431 HA LEU 60 HA LEU 60 -17.596 -3.049 -15.805 432 HB2 LEU 60 HB2 LEU 60 -15.828 -2.836 -13.535 433 HB3 LEU 60 HB3 LEU 60 -17.465 -3.201 -13.024 434 HG LEU 60 HG LEU 60 -16.513 -4.842 -15.262 435 HD11 LEU 60 HD11 LEU 60 -14.780 -4.438 -13.013 436 HD12 LEU 60 HD12 LEU 60 -15.383 -6.095 -13.019 437 HD13 LEU 60 HD13 LEU 60 -14.548 -5.456 -14.435 438 HD21 LEU 60 HD21 LEU 60 -17.324 -6.541 -13.357 439 HD22 LEU 60 HD22 LEU 60 -18.143 -5.078 -12.809 440 HD23 LEU 60 HD23 LEU 60 -18.437 -5.696 -14.435 441 H GLY 61 HN GLY 61 -17.893 0.000 -15.499 442 HA2 GLY 61 HA1 GLY 61 -19.923 1.176 -15.379 443 HA3 GLY 61 HA2 GLY 61 -20.614 -0.155 -14.462 444 H TYR 62 HN TYR 62 -17.816 0.228 -12.977 445 HA TYR 62 HA TYR 62 -19.002 1.894 -10.899 446 HB2 TYR 62 HB2 TYR 62 -16.445 0.283 -10.813 447 HB3 TYR 62 HB3 TYR 62 -17.298 0.983 -9.444 448 HD1 TYR 62 HD2 TYR 62 -19.886 0.180 -9.353 449 HD2 TYR 62 HD1 TYR 62 -16.674 -1.991 -11.100 450 HE1 TYR 62 HE2 TYR 62 -21.162 -1.905 -9.091 451 HE2 TYR 62 HE1 TYR 62 -17.941 -4.082 -10.844 452 HH TYR 62 HH TYR 62 -20.525 -4.439 -8.872 453 H LYS 63 HN LYS 63 -17.055 3.079 -9.609 454 HA LYS 63 HA LYS 63 -15.457 4.549 -11.592 455 HB2 LYS 63 HB2 LYS 63 -17.429 5.559 -9.660 456 HB3 LYS 63 HB3 LYS 63 -15.881 6.393 -9.600 457 HG2 LYS 63 HG2 LYS 63 -16.686 7.656 -11.243 458 HG3 LYS 63 HG3 LYS 63 -16.388 6.266 -12.291 459 HD2 LYS 63 HD2 LYS 63 -18.727 5.483 -11.596 460 HD3 LYS 63 HD3 LYS 63 -18.961 7.126 -10.995 461 HE2 LYS 63 HE2 LYS 63 -18.442 8.000 -13.227 462 HE3 LYS 63 HE3 LYS 63 -18.247 6.351 -13.820 463 HZ1 LYS 63 HZ1 LYS 63 -20.457 6.020 -13.884 464 HZ2 LYS 63 HZ2 LYS 63 -20.527 7.714 -13.969 465 HZ3 LYS 63 HZ3 LYS 63 -20.764 6.931 -12.483 466 H ALA 64 HN ALA 64 -13.569 3.436 -11.112 467 HA ALA 64 HA ALA 64 -12.750 3.345 -8.308 468 HB1 ALA 64 HB1 ALA 64 -10.787 2.134 -9.915 469 HB2 ALA 64 HB2 ALA 64 -11.968 1.349 -8.867 470 HB3 ALA 64 HB3 ALA 64 -12.350 1.636 -10.564 471 H THR 65 HN THR 65 -10.837 4.159 -7.563 472 HA THR 65 HA THR 65 -9.175 5.728 -9.405 473 HB THR 65 HB THR 65 -9.179 6.968 -6.806 474 HG1 THR 65 HG1 THR 65 -11.614 6.110 -7.661 475 HG21 THR 65 HG21 THR 65 -8.846 7.717 -9.422 476 HG22 THR 65 HG22 THR 65 -9.000 8.831 -8.064 477 HG23 THR 65 HG23 THR 65 -10.416 8.423 -9.034 478 H LEU 66 HN LEU 66 -7.410 6.572 -7.223 479 HA LEU 66 HA LEU 66 -6.565 4.115 -5.953 480 HB2 LEU 66 HB2 LEU 66 -4.272 4.243 -6.905 481 HB3 LEU 66 HB3 LEU 66 -5.502 3.799 -8.070 482 HG LEU 66 HG LEU 66 -5.194 6.630 -8.167 483 HD11 LEU 66 HD11 LEU 66 -2.834 5.520 -7.277 484 HD12 LEU 66 HD12 LEU 66 -2.606 5.619 -9.022 485 HD13 LEU 66 HD13 LEU 66 -3.009 7.069 -8.105 486 HD21 LEU 66 HD21 LEU 66 -4.829 4.288 -9.968 487 HD22 LEU 66 HD22 LEU 66 -5.926 5.663 -10.107 488 HD23 LEU 66 HD23 LEU 66 -4.213 5.859 -10.482 489 H ALA 67 HN ALA 67 -5.106 4.417 -4.279 490 HA ALA 67 HA ALA 67 -4.174 7.133 -3.730 491 HB1 ALA 67 HB1 ALA 67 -6.496 6.382 -2.595 492 HB2 ALA 67 HB2 ALA 67 -5.359 5.767 -1.396 493 HB3 ALA 67 HB3 ALA 67 -5.349 7.478 -1.828 494 H ASP 68 HN ASP 68 -2.066 6.479 -3.973 495 HA ASP 68 HA ASP 68 -1.107 4.083 -2.760 496 HB2 ASP 68 HB2 ASP 68 1.101 4.766 -3.674 497 HB3 ASP 68 HB3 ASP 68 -0.169 4.665 -4.881 498 H ALA 69 HN ALA 69 -2.048 5.284 -0.691 499 HA ALA 69 HA ALA 69 0.032 6.883 0.592 500 HB1 ALA 69 HB1 ALA 69 -2.800 6.224 1.378 501 HB2 ALA 69 HB2 ALA 69 -1.681 7.096 2.424 502 HB3 ALA 69 HB3 ALA 69 -2.152 7.783 0.869 Start of MODEL 19 1 H1 MET 1 H1 MET 1 1.846 2.904 -1.874 2 H2 MET 1 H2 MET 1 2.208 2.153 -3.346 3 H3 MET 1 H3 MET 1 3.232 1.936 -2.014 4 HA MET 1 HA MET 1 1.997 -0.029 -2.191 5 HB2 MET 1 HB2 MET 1 1.905 1.577 0.060 6 HB3 MET 1 HB3 MET 1 0.221 1.129 -0.174 7 HG2 MET 1 HG2 MET 1 2.509 -0.819 -0.003 8 HG3 MET 1 HG3 MET 1 1.431 -0.396 1.329 9 HE1 MET 1 HE1 MET 1 2.128 -3.339 -0.259 10 HE2 MET 1 HE2 MET 1 1.355 -3.201 1.320 11 HE3 MET 1 HE3 MET 1 0.569 -4.112 0.032 12 H THR 2 HN THR 2 0.147 -1.140 -2.773 13 HA THR 2 HA THR 2 -1.511 0.306 -4.605 14 HB THR 2 HB THR 2 -2.446 -2.366 -4.259 15 HG1 THR 2 HG1 THR 2 -0.683 -3.385 -3.713 16 HG21 THR 2 HG21 THR 2 -2.488 -1.135 -6.356 17 HG22 THR 2 HG22 THR 2 -1.559 -2.622 -6.550 18 HG23 THR 2 HG23 THR 2 -0.727 -1.076 -6.382 19 H HIS 3 HN HIS 3 -2.512 1.652 -2.820 20 HA HIS 3 HA HIS 3 -4.885 0.266 -1.773 21 HB2 HIS 3 HB2 HIS 3 -3.923 3.053 -1.165 22 HB3 HIS 3 HB3 HIS 3 -5.305 2.271 -0.442 23 HD1 HIS 3 HD1 HIS 3 -4.046 2.884 1.839 24 HD2 HIS 3 HD2 HIS 3 -2.250 -0.049 -0.510 25 HE1 HIS 3 HE1 HIS 3 -2.409 1.710 3.345 26 HE2 HIS 3 HE2 HIS 3 -1.425 -0.139 1.947 27 H LEU 4 HN LEU 4 -6.636 0.425 -2.912 28 HA LEU 4 HA LEU 4 -6.790 2.471 -5.019 29 HB2 LEU 4 HB2 LEU 4 -7.785 -0.342 -4.814 30 HB3 LEU 4 HB3 LEU 4 -8.644 0.786 -5.842 31 HG LEU 4 HG LEU 4 -7.170 -0.368 -7.270 32 HD11 LEU 4 HD11 LEU 4 -5.226 1.667 -7.233 33 HD12 LEU 4 HD12 LEU 4 -6.640 1.520 -8.278 34 HD13 LEU 4 HD13 LEU 4 -6.759 2.399 -6.754 35 HD21 LEU 4 HD21 LEU 4 -4.705 -0.467 -6.795 36 HD22 LEU 4 HD22 LEU 4 -5.078 0.080 -5.159 37 HD23 LEU 4 HD23 LEU 4 -5.724 -1.452 -5.746 38 H LYS 5 HN LYS 5 -9.068 3.185 -5.550 39 HA LYS 5 HA LYS 5 -10.631 3.407 -3.061 40 HB2 LYS 5 HB2 LYS 5 -9.488 5.513 -3.490 41 HB3 LYS 5 HB3 LYS 5 -10.122 5.553 -5.129 42 HG2 LYS 5 HG2 LYS 5 -11.696 6.876 -4.255 43 HG3 LYS 5 HG3 LYS 5 -12.411 5.370 -3.676 44 HD2 LYS 5 HD2 LYS 5 -10.831 5.731 -1.634 45 HD3 LYS 5 HD3 LYS 5 -10.803 7.408 -2.187 46 HE2 LYS 5 HE2 LYS 5 -13.485 6.702 -2.263 47 HE3 LYS 5 HE3 LYS 5 -12.879 5.942 -0.791 48 HZ1 LYS 5 HZ1 LYS 5 -12.766 7.899 0.218 49 HZ2 LYS 5 HZ2 LYS 5 -13.616 8.563 -1.091 50 HZ3 LYS 5 HZ3 LYS 5 -11.922 8.616 -1.071 51 H ILE 6 HN ILE 6 -12.709 2.896 -3.192 52 HA ILE 6 HA ILE 6 -13.813 2.199 -5.799 53 HB ILE 6 HB ILE 6 -14.347 1.405 -3.011 54 HG12 ILE 6 HG12 ILE 6 -15.060 -0.698 -4.198 55 HG13 ILE 6 HG13 ILE 6 -14.688 0.108 -5.716 56 HG21 ILE 6 HG21 ILE 6 -16.465 2.676 -4.045 57 HG22 ILE 6 HG22 ILE 6 -16.731 1.067 -4.715 58 HG23 ILE 6 HG23 ILE 6 -16.601 1.285 -2.970 59 HD11 ILE 6 HD11 ILE 6 -12.829 -0.770 -3.546 60 HD12 ILE 6 HD12 ILE 6 -12.806 -1.168 -5.265 61 HD13 ILE 6 HD13 ILE 6 -12.351 0.449 -4.728 62 H THR 7 HN THR 7 -15.271 3.445 -6.843 63 HA THR 7 HA THR 7 -16.422 5.705 -5.353 64 HB THR 7 HB THR 7 -16.010 6.496 -8.058 65 HG1 THR 7 HG1 THR 7 -14.296 4.794 -7.793 66 HG21 THR 7 HG21 THR 7 -14.315 8.049 -6.746 67 HG22 THR 7 HG22 THR 7 -15.119 7.347 -5.342 68 HG23 THR 7 HG23 THR 7 -16.059 8.225 -6.549 69 H GLY 8 HN GLY 8 -18.485 6.287 -5.883 70 HA2 GLY 8 HA1 GLY 8 -20.495 6.266 -7.084 71 HA3 GLY 8 HA2 GLY 8 -19.802 5.085 -8.185 72 H MET 9 HN MET 9 -18.921 3.305 -6.086 73 HA MET 9 HA MET 9 -21.432 1.938 -5.658 74 HB2 MET 9 HB2 MET 9 -18.832 0.887 -4.633 75 HB3 MET 9 HB3 MET 9 -20.214 0.026 -5.274 76 HG2 MET 9 HG2 MET 9 -19.695 0.758 -7.495 77 HG3 MET 9 HG3 MET 9 -18.344 1.718 -6.898 78 HE1 MET 9 HE1 MET 9 -15.556 -0.522 -7.581 79 HE2 MET 9 HE2 MET 9 -16.600 0.387 -8.674 80 HE3 MET 9 HE3 MET 9 -16.156 1.069 -7.111 81 H THR 10 HN THR 10 -22.108 1.154 -3.571 82 HA THR 10 HA THR 10 -21.875 3.138 -1.547 83 HB THR 10 HB THR 10 -23.042 0.754 -0.533 84 HG1 THR 10 HG1 THR 10 -24.407 0.141 -2.139 85 HG21 THR 10 HG21 THR 10 -24.048 3.437 -1.425 86 HG22 THR 10 HG22 THR 10 -23.891 2.802 0.214 87 HG23 THR 10 HG23 THR 10 -25.160 2.194 -0.851 88 H CYS 11 HN CYS 11 -21.097 -0.348 -1.574 89 HA CYS 11 HA CYS 11 -18.761 -0.106 -0.002 90 HB2 CYS 11 HB2 CYS 11 -19.767 -1.217 2.047 91 HB3 CYS 11 HB3 CYS 11 -20.099 0.494 1.825 92 HG CYS 11 HG CYS 11 -22.612 0.237 2.147 93 H ASP 12 HN ASP 12 -19.674 -2.648 1.479 94 HA ASP 12 HA ASP 12 -18.339 -4.496 -0.079 95 HB2 ASP 12 HB2 ASP 12 -18.900 -6.094 1.517 96 HB3 ASP 12 HB3 ASP 12 -19.028 -4.586 2.415 97 H SER 13 HN SER 13 -21.785 -3.751 -0.081 98 HA SER 13 HA SER 13 -22.728 -5.957 -1.499 99 HB2 SER 13 HB2 SER 13 -23.955 -3.344 -2.138 100 HB3 SER 13 HB3 SER 13 -24.698 -4.822 -1.521 101 HG SER 13 HG SER 13 -23.892 -4.319 0.537 102 H CYS 14 HN CYS 14 -20.830 -3.305 -2.520 103 HA CYS 14 HA CYS 14 -21.255 -3.953 -5.353 104 HB2 CYS 14 HB2 CYS 14 -20.731 -1.474 -3.839 105 HB3 CYS 14 HB3 CYS 14 -19.901 -1.600 -5.386 106 HG CYS 14 HG CYS 14 -23.289 -2.018 -5.066 107 H ALA 15 HN ALA 15 -18.853 -3.399 -2.846 108 HA ALA 15 HA ALA 15 -16.558 -3.605 -4.487 109 HB1 ALA 15 HB1 ALA 15 -17.059 -3.714 -1.544 110 HB2 ALA 15 HB2 ALA 15 -15.463 -4.103 -2.184 111 HB3 ALA 15 HB3 ALA 15 -16.172 -2.518 -2.488 112 H ALA 16 HN ALA 16 -18.645 -5.993 -3.115 113 HA ALA 16 HA ALA 16 -16.857 -8.135 -2.817 114 HB1 ALA 16 HB1 ALA 16 -18.733 -9.531 -2.651 115 HB2 ALA 16 HB2 ALA 16 -19.283 -7.969 -2.044 116 HB3 ALA 16 HB3 ALA 16 -19.712 -8.482 -3.676 117 H HIS 17 HN HIS 17 -18.908 -7.258 -5.594 118 HA HIS 17 HA HIS 17 -17.945 -9.381 -7.227 119 HB2 HIS 17 HB2 HIS 17 -19.878 -7.254 -7.465 120 HB3 HIS 17 HB3 HIS 17 -18.898 -7.352 -8.924 121 HD1 HIS 17 HD1 HIS 17 -21.792 -8.801 -7.356 122 HD2 HIS 17 HD2 HIS 17 -18.879 -10.122 -10.015 123 HE1 HIS 17 HE1 HIS 17 -22.750 -10.862 -8.444 124 HE2 HIS 17 HE2 HIS 17 -21.049 -11.522 -10.183 125 H VAL 18 HN VAL 18 -16.993 -6.059 -6.705 126 HA VAL 18 HA VAL 18 -15.148 -5.838 -8.827 127 HB VAL 18 HB VAL 18 -15.169 -4.490 -6.117 128 HG11 VAL 18 HG11 VAL 18 -13.299 -4.282 -8.403 129 HG12 VAL 18 HG12 VAL 18 -13.798 -2.773 -7.638 130 HG13 VAL 18 HG13 VAL 18 -13.019 -4.031 -6.679 131 HG21 VAL 18 HG21 VAL 18 -17.009 -3.589 -7.077 132 HG22 VAL 18 HG22 VAL 18 -15.812 -2.569 -7.876 133 HG23 VAL 18 HG23 VAL 18 -16.477 -3.973 -8.712 134 H LYS 19 HN LYS 19 -14.766 -6.849 -5.443 135 HA LYS 19 HA LYS 19 -12.030 -7.475 -5.554 136 HB2 LYS 19 HB2 LYS 19 -13.080 -7.306 -3.414 137 HB3 LYS 19 HB3 LYS 19 -14.287 -8.511 -3.837 138 HG2 LYS 19 HG2 LYS 19 -12.005 -9.947 -4.118 139 HG3 LYS 19 HG3 LYS 19 -11.560 -8.843 -2.817 140 HD2 LYS 19 HD2 LYS 19 -12.479 -10.662 -1.688 141 HD3 LYS 19 HD3 LYS 19 -13.814 -9.513 -1.766 142 HE2 LYS 19 HE2 LYS 19 -15.056 -11.048 -2.779 143 HE3 LYS 19 HE3 LYS 19 -13.913 -11.070 -4.119 144 HZ1 LYS 19 HZ1 LYS 19 -12.690 -12.810 -3.099 145 HZ2 LYS 19 HZ2 LYS 19 -14.324 -13.266 -3.066 146 HZ3 LYS 19 HZ3 LYS 19 -13.579 -12.689 -1.656 147 H GLU 20 HN GLU 20 -14.912 -9.368 -6.266 148 HA GLU 20 HA GLU 20 -13.655 -11.828 -6.736 149 HB2 GLU 20 HB2 GLU 20 -16.154 -11.299 -6.504 150 HB3 GLU 20 HB3 GLU 20 -16.098 -10.857 -8.204 151 HG2 GLU 20 HG2 GLU 20 -14.911 -13.329 -8.176 152 HG3 GLU 20 HG3 GLU 20 -16.174 -13.475 -6.953 153 H ALA 21 HN ALA 21 -14.440 -9.173 -8.934 154 HA ALA 21 HA ALA 21 -13.456 -10.404 -11.280 155 HB1 ALA 21 HB1 ALA 21 -14.337 -8.595 -12.218 156 HB2 ALA 21 HB2 ALA 21 -14.679 -7.961 -10.609 157 HB3 ALA 21 HB3 ALA 21 -13.161 -7.559 -11.412 158 H LEU 22 HN LEU 22 -11.974 -8.493 -8.756 159 HA LEU 22 HA LEU 22 -9.458 -8.129 -10.023 160 HB2 LEU 22 HB2 LEU 22 -10.461 -7.934 -7.212 161 HB3 LEU 22 HB3 LEU 22 -8.731 -7.934 -7.504 162 HG LEU 22 HG LEU 22 -10.448 -6.020 -9.020 163 HD11 LEU 22 HD11 LEU 22 -9.604 -5.729 -6.145 164 HD12 LEU 22 HD12 LEU 22 -10.081 -4.376 -7.173 165 HD13 LEU 22 HD13 LEU 22 -11.238 -5.655 -6.806 166 HD21 LEU 22 HD21 LEU 22 -7.806 -6.543 -9.078 167 HD22 LEU 22 HD22 LEU 22 -8.504 -4.970 -9.465 168 HD23 LEU 22 HD23 LEU 22 -7.848 -5.272 -7.856 169 H GLU 23 HN GLU 23 -10.769 -10.569 -7.842 170 HA GLU 23 HA GLU 23 -8.344 -12.041 -7.592 171 HB2 GLU 23 HB2 GLU 23 -11.215 -12.564 -6.930 172 HB3 GLU 23 HB3 GLU 23 -10.039 -13.872 -6.841 173 HG2 GLU 23 HG2 GLU 23 -8.673 -12.352 -5.354 174 HG3 GLU 23 HG3 GLU 23 -10.098 -11.316 -5.276 175 H LYS 24 HN LYS 24 -10.845 -11.900 -9.944 176 HA LYS 24 HA LYS 24 -10.315 -14.428 -11.180 177 HB2 LYS 24 HB2 LYS 24 -12.066 -12.160 -11.639 178 HB3 LYS 24 HB3 LYS 24 -11.346 -12.717 -13.141 179 HG2 LYS 24 HG2 LYS 24 -12.424 -14.803 -11.369 180 HG3 LYS 24 HG3 LYS 24 -13.601 -13.720 -12.112 181 HD2 LYS 24 HD2 LYS 24 -12.856 -14.292 -14.307 182 HD3 LYS 24 HD3 LYS 24 -11.464 -15.170 -13.668 183 HE2 LYS 24 HE2 LYS 24 -13.315 -16.572 -12.443 184 HE3 LYS 24 HE3 LYS 24 -14.341 -15.955 -13.735 185 HZ1 LYS 24 HZ1 LYS 24 -11.766 -17.110 -14.493 186 HZ2 LYS 24 HZ2 LYS 24 -13.256 -17.166 -15.300 187 HZ3 LYS 24 HZ3 LYS 24 -12.974 -18.181 -13.973 188 H VAL 25 HN VAL 25 -8.766 -11.423 -11.091 189 HA VAL 25 HA VAL 25 -7.274 -11.772 -13.550 190 HB VAL 25 HB VAL 25 -7.106 -9.741 -11.315 191 HG11 VAL 25 HG11 VAL 25 -5.282 -8.741 -12.224 192 HG12 VAL 25 HG12 VAL 25 -4.938 -10.390 -12.745 193 HG13 VAL 25 HG13 VAL 25 -5.682 -9.248 -13.865 194 HG21 VAL 25 HG21 VAL 25 -7.660 -8.370 -13.583 195 HG22 VAL 25 HG22 VAL 25 -8.494 -9.892 -13.894 196 HG23 VAL 25 HG23 VAL 25 -8.875 -8.959 -12.447 197 HA PRO 26 HA PRO 26 -4.351 -14.475 -11.542 198 HB2 PRO 26 HB2 PRO 26 -2.642 -13.876 -13.869 199 HB3 PRO 26 HB3 PRO 26 -3.280 -15.426 -13.314 200 HG2 PRO 26 HG2 PRO 26 -4.228 -14.235 -15.518 201 HG3 PRO 26 HG3 PRO 26 -5.285 -15.150 -14.426 202 HD2 PRO 26 HD2 PRO 26 -4.920 -12.185 -14.670 203 HD3 PRO 26 HD3 PRO 26 -6.415 -13.120 -14.449 204 H GLY 27 HN GLY 27 -3.817 -11.203 -12.398 205 HA2 GLY 27 HA1 GLY 27 -1.121 -11.043 -11.397 206 HA3 GLY 27 HA2 GLY 27 -2.137 -9.696 -11.883 207 H VAL 28 HN VAL 28 -4.014 -11.414 -9.837 208 HA VAL 28 HA VAL 28 -3.303 -9.675 -7.596 209 HB VAL 28 HB VAL 28 -5.743 -10.287 -8.687 210 HG11 VAL 28 HG11 VAL 28 -5.982 -11.601 -6.039 211 HG12 VAL 28 HG12 VAL 28 -6.947 -11.803 -7.501 212 HG13 VAL 28 HG13 VAL 28 -5.359 -12.561 -7.382 213 HG21 VAL 28 HG21 VAL 28 -6.484 -9.429 -6.246 214 HG22 VAL 28 HG22 VAL 28 -4.771 -9.010 -6.220 215 HG23 VAL 28 HG23 VAL 28 -5.814 -8.380 -7.495 216 H GLN 29 HN GLN 29 -2.783 -10.404 -5.584 217 HA GLN 29 HA GLN 29 -2.299 -13.293 -5.311 218 HB2 GLN 29 HB2 GLN 29 -1.129 -10.985 -3.740 219 HB3 GLN 29 HB3 GLN 29 -0.752 -12.682 -3.489 220 HG2 GLN 29 HG2 GLN 29 0.065 -12.725 -5.874 221 HG3 GLN 29 HG3 GLN 29 -0.078 -10.968 -5.855 222 HE21 GLN 29 HE21 GLN 29 1.462 -13.693 -4.236 223 HE22 GLN 29 HE22 GLN 29 2.868 -12.823 -3.719 224 H SER 30 HN SER 30 -3.506 -10.432 -3.602 225 HA SER 30 HA SER 30 -5.551 -12.015 -2.305 226 HB2 SER 30 HB2 SER 30 -4.480 -10.533 -0.160 227 HB3 SER 30 HB3 SER 30 -4.462 -12.285 -0.354 228 HG SER 30 HG SER 30 -2.370 -12.027 -0.396 229 H ALA 31 HN ALA 31 -7.366 -10.803 -1.971 230 HA ALA 31 HA ALA 31 -7.100 -7.894 -2.408 231 HB1 ALA 31 HB1 ALA 31 -8.378 -9.735 -4.076 232 HB2 ALA 31 HB2 ALA 31 -9.674 -8.891 -3.226 233 HB3 ALA 31 HB3 ALA 31 -8.481 -7.976 -4.149 234 H LEU 32 HN LEU 32 -7.535 -6.910 -0.539 235 HA LEU 32 HA LEU 32 -9.897 -7.829 0.960 236 HB2 LEU 32 HB2 LEU 32 -8.514 -6.508 2.863 237 HB3 LEU 32 HB3 LEU 32 -8.435 -8.241 2.618 238 HG LEU 32 HG LEU 32 -6.496 -6.622 1.075 239 HD11 LEU 32 HD11 LEU 32 -6.345 -6.934 4.066 240 HD12 LEU 32 HD12 LEU 32 -4.987 -6.475 3.038 241 HD13 LEU 32 HD13 LEU 32 -6.401 -5.427 3.152 242 HD21 LEU 32 HD21 LEU 32 -5.018 -8.501 1.952 243 HD22 LEU 32 HD22 LEU 32 -6.501 -9.228 2.568 244 HD23 LEU 32 HD23 LEU 32 -6.309 -8.950 0.837 245 H VAL 33 HN VAL 33 -11.397 -6.450 0.227 246 HA VAL 33 HA VAL 33 -10.765 -3.632 -0.120 247 HB VAL 33 HB VAL 33 -13.500 -4.844 -0.444 248 HG11 VAL 33 HG11 VAL 33 -13.612 -2.524 -0.644 249 HG12 VAL 33 HG12 VAL 33 -12.076 -2.430 -1.505 250 HG13 VAL 33 HG13 VAL 33 -13.502 -3.082 -2.313 251 HG21 VAL 33 HG21 VAL 33 -13.045 -5.746 -2.494 252 HG22 VAL 33 HG22 VAL 33 -11.683 -4.669 -2.791 253 HG23 VAL 33 HG23 VAL 33 -11.500 -6.040 -1.695 254 H SER 34 HN SER 34 -11.497 -1.989 1.143 255 HA SER 34 HA SER 34 -12.641 -2.737 3.723 256 HB2 SER 34 HB2 SER 34 -11.864 0.073 3.117 257 HB3 SER 34 HB3 SER 34 -11.635 -0.867 4.592 258 HG SER 34 HG SER 34 -10.146 -2.111 2.967 259 H TYR 35 HN TYR 35 -14.772 -3.055 3.301 260 HA TYR 35 HA TYR 35 -16.359 -1.611 1.548 261 HB2 TYR 35 HB2 TYR 35 -17.898 -3.136 2.048 262 HB3 TYR 35 HB3 TYR 35 -16.635 -3.886 2.996 263 HD1 TYR 35 HD1 TYR 35 -19.512 -1.549 3.253 264 HD2 TYR 35 HD2 TYR 35 -16.958 -4.266 5.294 265 HE1 TYR 35 HE1 TYR 35 -20.935 -1.380 5.248 266 HE2 TYR 35 HE2 TYR 35 -18.382 -4.115 7.289 267 HH TYR 35 HH TYR 35 -19.982 -2.546 8.289 268 HA PRO 36 HA PRO 36 -17.982 1.131 5.066 269 HB2 PRO 36 HB2 PRO 36 -16.220 1.224 7.315 270 HB3 PRO 36 HB3 PRO 36 -17.855 0.570 7.244 271 HG2 PRO 36 HG2 PRO 36 -15.563 -0.926 7.636 272 HG3 PRO 36 HG3 PRO 36 -17.109 -1.566 7.055 273 HD2 PRO 36 HD2 PRO 36 -14.653 -0.845 5.515 274 HD3 PRO 36 HD3 PRO 36 -15.799 -2.179 5.258 275 H LYS 37 HN LYS 37 -14.788 1.006 4.026 276 HA LYS 37 HA LYS 37 -14.269 3.813 4.703 277 HB2 LYS 37 HB2 LYS 37 -12.569 1.423 4.268 278 HB3 LYS 37 HB3 LYS 37 -11.926 2.957 3.706 279 HG2 LYS 37 HG2 LYS 37 -11.661 3.777 5.810 280 HG3 LYS 37 HG3 LYS 37 -13.026 2.861 6.456 281 HD2 LYS 37 HD2 LYS 37 -11.772 0.962 6.785 282 HD3 LYS 37 HD3 LYS 37 -10.618 1.379 5.516 283 HE2 LYS 37 HE2 LYS 37 -9.258 2.000 7.173 284 HE3 LYS 37 HE3 LYS 37 -10.300 3.415 7.331 285 HZ1 LYS 37 HZ1 LYS 37 -11.478 2.427 9.079 286 HZ2 LYS 37 HZ2 LYS 37 -9.849 2.098 9.417 287 HZ3 LYS 37 HZ3 LYS 37 -10.842 0.883 8.770 288 H GLY 38 HN GLY 38 -15.018 1.706 2.111 289 HA2 GLY 38 HA1 GLY 38 -15.364 2.124 -0.132 290 HA3 GLY 38 HA2 GLY 38 -15.074 3.827 0.197 291 H THR 39 HN THR 39 -12.738 1.455 1.131 292 HA THR 39 HA THR 39 -10.984 2.326 -1.072 293 HB THR 39 HB THR 39 -9.518 1.544 1.302 294 HG1 THR 39 HG1 THR 39 -11.484 3.581 1.538 295 HG21 THR 39 HG21 THR 39 -8.171 2.838 0.050 296 HG22 THR 39 HG22 THR 39 -8.979 4.186 0.850 297 HG23 THR 39 HG23 THR 39 -9.527 3.647 -0.737 298 H ALA 40 HN ALA 40 -9.183 0.759 -1.491 299 HA ALA 40 HA ALA 40 -9.937 -1.994 -0.778 300 HB1 ALA 40 HB1 ALA 40 -10.632 -2.246 -2.888 301 HB2 ALA 40 HB2 ALA 40 -9.818 -0.781 -3.435 302 HB3 ALA 40 HB3 ALA 40 -8.916 -2.291 -3.294 303 H GLN 41 HN GLN 41 -8.312 -3.214 -0.080 304 HA GLN 41 HA GLN 41 -5.565 -2.246 -0.499 305 HB2 GLN 41 HB2 GLN 41 -6.888 -2.940 1.851 306 HB3 GLN 41 HB3 GLN 41 -5.906 -4.352 1.489 307 HG2 GLN 41 HG2 GLN 41 -4.768 -1.577 1.532 308 HG3 GLN 41 HG3 GLN 41 -4.884 -2.580 2.978 309 HE21 GLN 41 HE21 GLN 41 -4.287 -5.058 1.920 310 HE22 GLN 41 HE22 GLN 41 -2.643 -5.068 1.389 311 H LEU 42 HN LEU 42 -4.793 -3.260 -2.265 312 HA LEU 42 HA LEU 42 -5.412 -6.126 -2.560 313 HB2 LEU 42 HB2 LEU 42 -4.721 -4.338 -4.866 314 HB3 LEU 42 HB3 LEU 42 -5.526 -5.895 -4.888 315 HG LEU 42 HG LEU 42 -6.798 -3.445 -3.686 316 HD11 LEU 42 HD11 LEU 42 -6.586 -4.300 -6.523 317 HD12 LEU 42 HD12 LEU 42 -8.120 -3.636 -5.958 318 HD13 LEU 42 HD13 LEU 42 -6.643 -2.681 -5.828 319 HD21 LEU 42 HD21 LEU 42 -8.819 -4.667 -3.813 320 HD22 LEU 42 HD22 LEU 42 -8.083 -5.921 -4.813 321 HD23 LEU 42 HD23 LEU 42 -7.624 -5.764 -3.118 322 H ALA 43 HN ALA 43 -3.765 -7.470 -2.540 323 HA ALA 43 HA ALA 43 -1.056 -6.440 -2.959 324 HB1 ALA 43 HB1 ALA 43 -2.140 -8.421 -1.258 325 HB2 ALA 43 HB2 ALA 43 -1.114 -9.253 -2.427 326 HB3 ALA 43 HB3 ALA 43 -0.448 -7.953 -1.437 327 H ILE 44 HN ILE 44 -0.432 -6.416 -5.018 328 HA ILE 44 HA ILE 44 -1.482 -8.495 -6.818 329 HB ILE 44 HB ILE 44 -0.929 -6.834 -8.658 330 HG12 ILE 44 HG12 ILE 44 -1.274 -4.529 -6.921 331 HG13 ILE 44 HG13 ILE 44 0.204 -5.408 -6.539 332 HG21 ILE 44 HG21 ILE 44 -2.989 -5.354 -7.386 333 HG22 ILE 44 HG22 ILE 44 -3.131 -6.585 -8.642 334 HG23 ILE 44 HG23 ILE 44 -3.179 -7.050 -6.941 335 HD11 ILE 44 HD11 ILE 44 -0.066 -3.504 -8.473 336 HD12 ILE 44 HD12 ILE 44 1.221 -4.707 -8.392 337 HD13 ILE 44 HD13 ILE 44 -0.200 -5.002 -9.394 338 H VAL 45 HN VAL 45 -0.101 -9.232 -8.502 339 HA VAL 45 HA VAL 45 2.505 -9.893 -7.616 340 HB VAL 45 HB VAL 45 1.265 -10.157 -10.368 341 HG11 VAL 45 HG11 VAL 45 3.193 -10.941 -11.136 342 HG12 VAL 45 HG12 VAL 45 3.954 -10.463 -9.617 343 HG13 VAL 45 HG13 VAL 45 3.304 -12.091 -9.802 344 HG21 VAL 45 HG21 VAL 45 0.616 -12.327 -9.783 345 HG22 VAL 45 HG22 VAL 45 1.664 -12.356 -8.365 346 HG23 VAL 45 HG23 VAL 45 0.210 -11.359 -8.366 347 HA PRO 46 HA PRO 46 4.662 -6.137 -8.776 348 HB2 PRO 46 HB2 PRO 46 6.920 -8.084 -8.801 349 HB3 PRO 46 HB3 PRO 46 6.797 -6.513 -8.000 350 HG2 PRO 46 HG2 PRO 46 6.589 -8.766 -6.599 351 HG3 PRO 46 HG3 PRO 46 5.563 -7.367 -6.227 352 HD2 PRO 46 HD2 PRO 46 4.876 -9.898 -7.652 353 HD3 PRO 46 HD3 PRO 46 3.890 -8.923 -6.544 354 H GLY 47 HN GLY 47 4.027 -5.722 -10.827 355 HA2 GLY 47 HA1 GLY 47 5.439 -5.916 -13.064 356 HA3 GLY 47 HA2 GLY 47 4.741 -7.532 -12.991 357 H THR 48 HN THR 48 2.296 -6.699 -11.741 358 HA THR 48 HA THR 48 0.818 -5.808 -14.021 359 HB THR 48 HB THR 48 -0.321 -5.831 -11.250 360 HG1 THR 48 HG1 THR 48 0.591 -7.804 -11.174 361 HG21 THR 48 HG21 THR 48 -2.293 -5.844 -12.304 362 HG22 THR 48 HG22 THR 48 -1.793 -7.150 -13.379 363 HG23 THR 48 HG23 THR 48 -1.397 -5.478 -13.779 364 H SER 49 HN SER 49 0.363 -3.813 -14.606 365 HA SER 49 HA SER 49 1.235 -1.613 -12.998 366 HB2 SER 49 HB2 SER 49 -0.141 -1.789 -15.681 367 HB3 SER 49 HB3 SER 49 0.219 -0.247 -14.905 368 HG SER 49 HG SER 49 1.978 -2.189 -15.945 369 HA PRO 50 HA PRO 50 -2.562 -1.320 -10.716 370 HB2 PRO 50 HB2 PRO 50 -1.658 1.425 -10.095 371 HB3 PRO 50 HB3 PRO 50 -2.012 0.086 -8.999 372 HG2 PRO 50 HG2 PRO 50 0.501 0.871 -9.453 373 HG3 PRO 50 HG3 PRO 50 0.091 -0.841 -9.231 374 HD2 PRO 50 HD2 PRO 50 0.646 0.662 -11.765 375 HD3 PRO 50 HD3 PRO 50 1.168 -0.966 -11.283 376 H ASP 51 HN ASP 51 -1.688 0.689 -13.322 377 HA ASP 51 HA ASP 51 -4.019 2.331 -13.372 378 HB2 ASP 51 HB2 ASP 51 -2.189 3.140 -14.643 379 HB3 ASP 51 HB3 ASP 51 -1.917 1.581 -15.407 380 H ALA 52 HN ALA 52 -3.187 -0.876 -14.261 381 HA ALA 52 HA ALA 52 -5.347 -1.274 -16.092 382 HB1 ALA 52 HB1 ALA 52 -4.673 -3.784 -15.460 383 HB2 ALA 52 HB2 ALA 52 -3.742 -2.805 -16.594 384 HB3 ALA 52 HB3 ALA 52 -3.215 -2.955 -14.917 385 H LEU 53 HN LEU 53 -4.794 -1.652 -12.689 386 HA LEU 53 HA LEU 53 -7.125 -3.185 -12.128 387 HB2 LEU 53 HB2 LEU 53 -5.753 -1.352 -10.172 388 HB3 LEU 53 HB3 LEU 53 -6.647 -2.822 -9.837 389 HG LEU 53 HG LEU 53 -4.021 -2.791 -11.318 390 HD11 LEU 53 HD11 LEU 53 -4.515 -2.323 -8.554 391 HD12 LEU 53 HD12 LEU 53 -3.745 -3.898 -8.739 392 HD13 LEU 53 HD13 LEU 53 -2.971 -2.457 -9.398 393 HD21 LEU 53 HD21 LEU 53 -5.600 -4.742 -11.589 394 HD22 LEU 53 HD22 LEU 53 -3.995 -5.132 -10.966 395 HD23 LEU 53 HD23 LEU 53 -5.371 -5.053 -9.868 396 H THR 54 HN THR 54 -6.300 0.252 -11.917 397 HA THR 54 HA THR 54 -8.766 1.178 -10.975 398 HB THR 54 HB THR 54 -7.008 2.744 -12.860 399 HG1 THR 54 HG1 THR 54 -5.548 1.963 -11.377 400 HG21 THR 54 HG21 THR 54 -7.883 4.135 -10.520 401 HG22 THR 54 HG22 THR 54 -9.269 3.354 -11.281 402 HG23 THR 54 HG23 THR 54 -8.264 4.466 -12.209 403 H ALA 55 HN ALA 55 -7.541 0.837 -14.294 404 HA ALA 55 HA ALA 55 -9.916 1.736 -15.550 405 HB1 ALA 55 HB1 ALA 55 -7.979 -0.162 -16.836 406 HB2 ALA 55 HB2 ALA 55 -8.938 1.119 -17.579 407 HB3 ALA 55 HB3 ALA 55 -7.564 1.528 -16.551 408 H ALA 56 HN ALA 56 -8.852 -1.425 -14.443 409 HA ALA 56 HA ALA 56 -10.855 -2.950 -15.715 410 HB1 ALA 56 HB1 ALA 56 -9.580 -4.550 -14.847 411 HB2 ALA 56 HB2 ALA 56 -8.806 -3.404 -13.751 412 HB3 ALA 56 HB3 ALA 56 -10.302 -4.204 -13.275 413 H VAL 57 HN VAL 57 -10.735 -1.400 -12.513 414 HA VAL 57 HA VAL 57 -13.333 -2.294 -11.771 415 HB VAL 57 HB VAL 57 -11.779 0.007 -10.618 416 HG11 VAL 57 HG11 VAL 57 -14.399 -1.058 -10.066 417 HG12 VAL 57 HG12 VAL 57 -13.350 -1.188 -8.653 418 HG13 VAL 57 HG13 VAL 57 -13.612 0.381 -9.416 419 HG21 VAL 57 HG21 VAL 57 -11.708 -2.938 -10.107 420 HG22 VAL 57 HG22 VAL 57 -10.369 -1.801 -10.281 421 HG23 VAL 57 HG23 VAL 57 -11.341 -1.802 -8.809 422 H ALA 58 HN ALA 58 -12.104 0.772 -13.137 423 HA ALA 58 HA ALA 58 -14.613 2.062 -13.213 424 HB1 ALA 58 HB1 ALA 58 -12.242 3.022 -13.623 425 HB2 ALA 58 HB2 ALA 58 -12.516 2.536 -15.296 426 HB3 ALA 58 HB3 ALA 58 -13.602 3.692 -14.525 427 H GLY 59 HN GLY 59 -13.097 -0.271 -15.296 428 HA2 GLY 59 HA1 GLY 59 -15.175 -0.056 -17.311 429 HA3 GLY 59 HA2 GLY 59 -13.808 -1.161 -17.333 430 H LEU 60 HN LEU 60 -15.365 -1.182 -14.350 431 HA LEU 60 HA LEU 60 -16.740 -3.672 -15.001 432 HB2 LEU 60 HB2 LEU 60 -15.452 -2.571 -12.652 433 HB3 LEU 60 HB3 LEU 60 -17.047 -3.193 -12.281 434 HG LEU 60 HG LEU 60 -15.256 -4.946 -13.865 435 HD11 LEU 60 HD11 LEU 60 -14.256 -5.765 -11.694 436 HD12 LEU 60 HD12 LEU 60 -13.648 -4.223 -12.295 437 HD13 LEU 60 HD13 LEU 60 -14.815 -4.255 -10.973 438 HD21 LEU 60 HD21 LEU 60 -16.467 -6.649 -12.891 439 HD22 LEU 60 HD22 LEU 60 -16.854 -5.699 -11.457 440 HD23 LEU 60 HD23 LEU 60 -17.671 -5.364 -12.982 441 H GLY 61 HN GLY 61 -17.485 -0.654 -15.315 442 HA2 GLY 61 HA1 GLY 61 -19.615 0.245 -15.698 443 HA3 GLY 61 HA2 GLY 61 -20.316 -1.088 -14.788 444 H TYR 62 HN TYR 62 -17.659 0.467 -13.353 445 HA TYR 62 HA TYR 62 -19.349 2.239 -11.758 446 HB2 TYR 62 HB2 TYR 62 -17.527 0.060 -10.757 447 HB3 TYR 62 HB3 TYR 62 -17.904 1.463 -9.768 448 HD1 TYR 62 HD2 TYR 62 -20.614 1.993 -9.884 449 HD2 TYR 62 HD1 TYR 62 -18.748 -1.815 -10.226 450 HE1 TYR 62 HE2 TYR 62 -22.696 0.912 -9.146 451 HE2 TYR 62 HE1 TYR 62 -20.826 -2.905 -9.493 452 HH TYR 62 HH TYR 62 -23.804 -1.121 -9.097 453 H LYS 63 HN LYS 63 -17.234 3.038 -10.007 454 HA LYS 63 HA LYS 63 -15.312 4.158 -11.929 455 HB2 LYS 63 HB2 LYS 63 -16.945 5.874 -11.314 456 HB3 LYS 63 HB3 LYS 63 -16.633 5.582 -9.611 457 HG2 LYS 63 HG2 LYS 63 -15.388 7.468 -9.996 458 HG3 LYS 63 HG3 LYS 63 -14.184 6.199 -10.227 459 HD2 LYS 63 HD2 LYS 63 -15.503 6.650 -12.707 460 HD3 LYS 63 HD3 LYS 63 -15.003 8.209 -12.052 461 HE2 LYS 63 HE2 LYS 63 -12.973 6.121 -11.805 462 HE3 LYS 63 HE3 LYS 63 -13.411 6.493 -13.473 463 HZ1 LYS 63 HZ1 LYS 63 -12.853 8.761 -13.147 464 HZ2 LYS 63 HZ2 LYS 63 -11.551 7.848 -12.558 465 HZ3 LYS 63 HZ3 LYS 63 -12.652 8.557 -11.475 466 H ALA 64 HN ALA 64 -13.235 3.838 -11.405 467 HA ALA 64 HA ALA 64 -12.625 3.197 -8.599 468 HB1 ALA 64 HB1 ALA 64 -10.423 2.437 -10.089 469 HB2 ALA 64 HB2 ALA 64 -11.676 1.372 -9.448 470 HB3 ALA 64 HB3 ALA 64 -11.798 1.985 -11.097 471 H THR 65 HN THR 65 -11.036 4.269 -7.558 472 HA THR 65 HA THR 65 -9.292 6.057 -9.098 473 HB THR 65 HB THR 65 -9.630 7.162 -6.486 474 HG1 THR 65 HG1 THR 65 -11.979 6.284 -7.678 475 HG21 THR 65 HG21 THR 65 -9.339 8.998 -7.707 476 HG22 THR 65 HG22 THR 65 -10.873 8.738 -8.536 477 HG23 THR 65 HG23 THR 65 -9.397 8.003 -9.162 478 H LEU 66 HN LEU 66 -7.983 6.886 -6.580 479 HA LEU 66 HA LEU 66 -7.045 4.413 -5.407 480 HB2 LEU 66 HB2 LEU 66 -4.651 4.978 -5.899 481 HB3 LEU 66 HB3 LEU 66 -5.585 4.430 -7.274 482 HG LEU 66 HG LEU 66 -5.655 7.312 -7.097 483 HD11 LEU 66 HD11 LEU 66 -3.426 7.905 -7.230 484 HD12 LEU 66 HD12 LEU 66 -3.404 6.668 -5.971 485 HD13 LEU 66 HD13 LEU 66 -2.904 6.264 -7.612 486 HD21 LEU 66 HD21 LEU 66 -4.190 6.014 -9.281 487 HD22 LEU 66 HD22 LEU 66 -5.824 5.400 -9.026 488 HD23 LEU 66 HD23 LEU 66 -5.564 7.117 -9.333 489 H ALA 67 HN ALA 67 -6.502 4.708 -3.353 490 HA ALA 67 HA ALA 67 -5.929 7.410 -2.404 491 HB1 ALA 67 HB1 ALA 67 -8.409 5.972 -1.973 492 HB2 ALA 67 HB2 ALA 67 -7.623 6.408 -0.456 493 HB3 ALA 67 HB3 ALA 67 -8.008 7.657 -1.640 494 H ASP 68 HN ASP 68 -3.813 6.414 -2.238 495 HA ASP 68 HA ASP 68 -3.337 4.392 -0.318 496 HB2 ASP 68 HB2 ASP 68 -1.215 4.489 -1.055 497 HB3 ASP 68 HB3 ASP 68 -1.810 5.628 -2.251 498 H ALA 69 HN ALA 69 -3.886 7.766 -0.239 499 HA ALA 69 HA ALA 69 -4.352 9.217 1.421 500 HB1 ALA 69 HB1 ALA 69 -4.550 7.974 3.796 501 HB2 ALA 69 HB2 ALA 69 -5.837 7.997 2.591 502 HB3 ALA 69 HB3 ALA 69 -4.767 6.602 2.708 Start of MODEL 20 1 H1 MET 1 H1 MET 1 2.224 -0.078 0.207 2 H2 MET 1 H2 MET 1 2.857 -0.927 -1.119 3 H3 MET 1 H3 MET 1 2.884 -1.628 0.427 4 HA MET 1 HA MET 1 1.122 -2.403 -1.215 5 HB2 MET 1 HB2 MET 1 1.244 -2.392 1.506 6 HB3 MET 1 HB3 MET 1 -0.268 -1.534 1.241 7 HG2 MET 1 HG2 MET 1 -1.265 -3.494 1.023 8 HG3 MET 1 HG3 MET 1 -0.366 -3.730 -0.472 9 HE1 MET 1 HE1 MET 1 1.678 -5.109 -0.774 10 HE2 MET 1 HE2 MET 1 1.855 -6.594 0.161 11 HE3 MET 1 HE3 MET 1 0.329 -6.240 -0.652 12 H THR 2 HN THR 2 0.392 -1.206 -2.881 13 HA THR 2 HA THR 2 -0.738 1.371 -2.671 14 HB THR 2 HB THR 2 -1.654 -0.198 -4.955 15 HG1 THR 2 HG1 THR 2 1.097 0.107 -5.089 16 HG21 THR 2 HG21 THR 2 -0.644 2.420 -4.337 17 HG22 THR 2 HG22 THR 2 -1.497 1.874 -5.780 18 HG23 THR 2 HG23 THR 2 0.259 1.744 -5.692 19 H HIS 3 HN HIS 3 -2.825 2.037 -2.409 20 HA HIS 3 HA HIS 3 -4.851 -0.066 -2.033 21 HB2 HIS 3 HB2 HIS 3 -4.711 2.731 -0.913 22 HB3 HIS 3 HB3 HIS 3 -6.138 1.721 -0.802 23 HD1 HIS 3 HD1 HIS 3 -5.871 1.934 1.821 24 HD2 HIS 3 HD2 HIS 3 -2.811 -0.116 -0.105 25 HE1 HIS 3 HE1 HIS 3 -4.643 0.701 3.628 26 HE2 HIS 3 HE2 HIS 3 -2.671 -0.354 2.470 27 H LEU 4 HN LEU 4 -6.711 0.025 -3.157 28 HA LEU 4 HA LEU 4 -6.815 1.968 -5.351 29 HB2 LEU 4 HB2 LEU 4 -6.957 -0.619 -5.638 30 HB3 LEU 4 HB3 LEU 4 -8.613 -0.423 -5.103 31 HG LEU 4 HG LEU 4 -8.550 1.432 -7.058 32 HD11 LEU 4 HD11 LEU 4 -6.744 -0.766 -8.051 33 HD12 LEU 4 HD12 LEU 4 -7.312 0.641 -8.950 34 HD13 LEU 4 HD13 LEU 4 -6.196 0.848 -7.599 35 HD21 LEU 4 HD21 LEU 4 -9.775 -0.111 -8.386 36 HD22 LEU 4 HD22 LEU 4 -8.988 -1.493 -7.624 37 HD23 LEU 4 HD23 LEU 4 -10.118 -0.500 -6.701 38 H LYS 5 HN LYS 5 -8.686 3.195 -5.693 39 HA LYS 5 HA LYS 5 -10.296 3.434 -3.240 40 HB2 LYS 5 HB2 LYS 5 -8.706 5.336 -4.434 41 HB3 LYS 5 HB3 LYS 5 -10.311 5.752 -5.015 42 HG2 LYS 5 HG2 LYS 5 -10.469 5.205 -2.231 43 HG3 LYS 5 HG3 LYS 5 -9.140 6.331 -2.521 44 HD2 LYS 5 HD2 LYS 5 -10.579 7.991 -2.844 45 HD3 LYS 5 HD3 LYS 5 -11.357 7.087 -4.147 46 HE2 LYS 5 HE2 LYS 5 -13.040 6.354 -2.814 47 HE3 LYS 5 HE3 LYS 5 -12.011 6.266 -1.380 48 HZ1 LYS 5 HZ1 LYS 5 -12.277 8.511 -0.956 49 HZ2 LYS 5 HZ2 LYS 5 -13.824 8.051 -1.475 50 HZ3 LYS 5 HZ3 LYS 5 -12.780 8.874 -2.532 51 H ILE 6 HN ILE 6 -12.428 3.386 -3.343 52 HA ILE 6 HA ILE 6 -13.585 2.732 -5.959 53 HB ILE 6 HB ILE 6 -14.093 1.803 -3.188 54 HG12 ILE 6 HG12 ILE 6 -14.827 -0.210 -4.804 55 HG13 ILE 6 HG13 ILE 6 -13.808 0.689 -5.923 56 HG21 ILE 6 HG21 ILE 6 -16.396 1.035 -4.605 57 HG22 ILE 6 HG22 ILE 6 -16.295 2.060 -3.174 58 HG23 ILE 6 HG23 ILE 6 -16.262 2.786 -4.780 59 HD11 ILE 6 HD11 ILE 6 -12.917 -0.197 -3.194 60 HD12 ILE 6 HD12 ILE 6 -12.649 -1.122 -4.670 61 HD13 ILE 6 HD13 ILE 6 -11.923 0.473 -4.486 62 H THR 7 HN THR 7 -15.145 3.936 -6.836 63 HA THR 7 HA THR 7 -16.598 5.829 -5.134 64 HB THR 7 HB THR 7 -16.281 6.969 -7.745 65 HG1 THR 7 HG1 THR 7 -14.257 5.677 -7.563 66 HG21 THR 7 HG21 THR 7 -14.844 8.434 -5.794 67 HG22 THR 7 HG22 THR 7 -16.256 7.734 -4.998 68 HG23 THR 7 HG23 THR 7 -16.458 8.748 -6.427 69 H GLY 8 HN GLY 8 -18.733 6.185 -5.738 70 HA2 GLY 8 HA1 GLY 8 -20.587 6.059 -7.205 71 HA3 GLY 8 HA2 GLY 8 -19.693 4.926 -8.208 72 H MET 9 HN MET 9 -18.915 3.228 -5.962 73 HA MET 9 HA MET 9 -21.381 1.715 -5.832 74 HB2 MET 9 HB2 MET 9 -18.875 0.801 -4.487 75 HB3 MET 9 HB3 MET 9 -20.144 -0.135 -5.236 76 HG2 MET 9 HG2 MET 9 -19.367 0.895 -7.431 77 HG3 MET 9 HG3 MET 9 -17.917 1.365 -6.543 78 HE1 MET 9 HE1 MET 9 -16.861 -0.239 -4.910 79 HE2 MET 9 HE2 MET 9 -17.718 -1.749 -4.598 80 HE3 MET 9 HE3 MET 9 -16.217 -1.764 -5.522 81 H THR 10 HN THR 10 -22.205 0.818 -3.870 82 HA THR 10 HA THR 10 -22.396 2.765 -1.790 83 HB THR 10 HB THR 10 -23.470 0.140 -1.140 84 HG1 THR 10 HG1 THR 10 -24.434 1.356 -3.542 85 HG21 THR 10 HG21 THR 10 -25.191 2.451 -1.858 86 HG22 THR 10 HG22 THR 10 -24.094 2.652 -0.491 87 HG23 THR 10 HG23 THR 10 -25.287 1.353 -0.481 88 H CYS 11 HN CYS 11 -21.501 -0.709 -1.652 89 HA CYS 11 HA CYS 11 -19.361 -0.271 0.195 90 HB2 CYS 11 HB2 CYS 11 -20.554 -1.461 2.093 91 HB3 CYS 11 HB3 CYS 11 -20.984 0.218 1.811 92 HG CYS 11 HG CYS 11 -23.081 -1.986 2.355 93 H ASP 12 HN ASP 12 -20.013 -2.794 1.609 94 HA ASP 12 HA ASP 12 -18.419 -4.566 0.347 95 HB2 ASP 12 HB2 ASP 12 -19.375 -6.323 1.733 96 HB3 ASP 12 HB3 ASP 12 -19.190 -4.835 2.648 97 H SER 13 HN SER 13 -21.933 -4.350 -0.213 98 HA SER 13 HA SER 13 -22.207 -6.681 -1.735 99 HB2 SER 13 HB2 SER 13 -23.925 -4.683 -2.817 100 HB3 SER 13 HB3 SER 13 -24.332 -5.976 -1.688 101 HG SER 13 HG SER 13 -23.990 -4.634 0.006 102 H CYS 14 HN CYS 14 -21.630 -3.356 -2.821 103 HA CYS 14 HA CYS 14 -21.213 -4.038 -5.544 104 HB2 CYS 14 HB2 CYS 14 -20.896 -1.645 -3.816 105 HB3 CYS 14 HB3 CYS 14 -19.988 -1.642 -5.324 106 HG CYS 14 HG CYS 14 -21.961 -0.718 -6.688 107 H ALA 15 HN ALA 15 -19.135 -3.657 -2.750 108 HA ALA 15 HA ALA 15 -16.649 -3.673 -4.069 109 HB1 ALA 15 HB1 ALA 15 -17.453 -4.417 -1.269 110 HB2 ALA 15 HB2 ALA 15 -15.777 -4.420 -1.819 111 HB3 ALA 15 HB3 ALA 15 -16.706 -2.921 -1.832 112 H ALA 16 HN ALA 16 -18.823 -6.246 -3.177 113 HA ALA 16 HA ALA 16 -17.026 -8.408 -3.245 114 HB1 ALA 16 HB1 ALA 16 -19.031 -9.022 -2.328 115 HB2 ALA 16 HB2 ALA 16 -19.975 -8.119 -3.513 116 HB3 ALA 16 HB3 ALA 16 -19.234 -9.653 -3.963 117 H HIS 17 HN HIS 17 -19.122 -7.062 -5.771 118 HA HIS 17 HA HIS 17 -18.446 -8.717 -7.893 119 HB2 HIS 17 HB2 HIS 17 -19.920 -6.368 -7.550 120 HB3 HIS 17 HB3 HIS 17 -18.680 -5.932 -8.715 121 HD1 HIS 17 HD1 HIS 17 -21.864 -6.373 -9.152 122 HD2 HIS 17 HD2 HIS 17 -18.753 -8.863 -10.348 123 HE1 HIS 17 HE1 HIS 17 -22.770 -7.716 -11.075 124 HE2 HIS 17 HE2 HIS 17 -20.825 -9.093 -11.887 125 H VAL 18 HN VAL 18 -16.933 -5.707 -6.838 126 HA VAL 18 HA VAL 18 -14.897 -5.625 -8.770 127 HB VAL 18 HB VAL 18 -15.072 -4.424 -6.005 128 HG11 VAL 18 HG11 VAL 18 -12.990 -3.650 -6.114 129 HG12 VAL 18 HG12 VAL 18 -12.722 -4.768 -7.452 130 HG13 VAL 18 HG13 VAL 18 -13.211 -3.103 -7.776 131 HG21 VAL 18 HG21 VAL 18 -16.568 -3.781 -8.066 132 HG22 VAL 18 HG22 VAL 18 -15.913 -2.545 -6.993 133 HG23 VAL 18 HG23 VAL 18 -15.132 -2.871 -8.540 134 H LYS 19 HN LYS 19 -15.009 -7.001 -5.504 135 HA LYS 19 HA LYS 19 -12.329 -7.754 -5.310 136 HB2 LYS 19 HB2 LYS 19 -14.222 -7.785 -3.530 137 HB3 LYS 19 HB3 LYS 19 -14.529 -9.413 -4.119 138 HG2 LYS 19 HG2 LYS 19 -12.006 -9.784 -3.716 139 HG3 LYS 19 HG3 LYS 19 -12.124 -8.340 -2.710 140 HD2 LYS 19 HD2 LYS 19 -13.466 -9.367 -1.153 141 HD3 LYS 19 HD3 LYS 19 -14.111 -10.526 -2.318 142 HE2 LYS 19 HE2 LYS 19 -11.214 -10.685 -1.746 143 HE3 LYS 19 HE3 LYS 19 -12.300 -11.170 -0.446 144 HZ1 LYS 19 HZ1 LYS 19 -12.772 -13.056 -1.485 145 HZ2 LYS 19 HZ2 LYS 19 -11.495 -12.722 -2.554 146 HZ3 LYS 19 HZ3 LYS 19 -13.086 -12.276 -2.957 147 H GLU 20 HN GLU 20 -15.117 -9.550 -6.607 148 HA GLU 20 HA GLU 20 -13.659 -11.885 -7.232 149 HB2 GLU 20 HB2 GLU 20 -16.010 -10.908 -8.840 150 HB3 GLU 20 HB3 GLU 20 -15.495 -12.565 -8.577 151 HG2 GLU 20 HG2 GLU 20 -16.379 -12.639 -6.441 152 HG3 GLU 20 HG3 GLU 20 -16.410 -10.882 -6.287 153 H ALA 21 HN ALA 21 -14.405 -8.983 -9.076 154 HA ALA 21 HA ALA 21 -13.277 -9.788 -11.520 155 HB1 ALA 21 HB1 ALA 21 -12.939 -7.175 -11.716 156 HB2 ALA 21 HB2 ALA 21 -14.544 -7.902 -11.783 157 HB3 ALA 21 HB3 ALA 21 -13.971 -7.170 -10.285 158 H LEU 22 HN LEU 22 -11.914 -8.258 -8.672 159 HA LEU 22 HA LEU 22 -9.324 -7.796 -9.740 160 HB2 LEU 22 HB2 LEU 22 -10.315 -8.068 -6.906 161 HB3 LEU 22 HB3 LEU 22 -8.672 -7.629 -7.320 162 HG LEU 22 HG LEU 22 -11.071 -6.025 -8.185 163 HD11 LEU 22 HD11 LEU 22 -9.909 -4.490 -6.324 164 HD12 LEU 22 HD12 LEU 22 -11.245 -5.588 -5.975 165 HD13 LEU 22 HD13 LEU 22 -9.586 -6.081 -5.636 166 HD21 LEU 22 HD21 LEU 22 -8.203 -5.168 -7.967 167 HD22 LEU 22 HD22 LEU 22 -8.881 -5.860 -9.440 168 HD23 LEU 22 HD23 LEU 22 -9.534 -4.356 -8.793 169 H GLU 23 HN GLU 23 -10.743 -10.388 -7.798 170 HA GLU 23 HA GLU 23 -8.293 -11.808 -7.491 171 HB2 GLU 23 HB2 GLU 23 -11.115 -12.211 -6.757 172 HB3 GLU 23 HB3 GLU 23 -10.186 -13.686 -6.995 173 HG2 GLU 23 HG2 GLU 23 -8.443 -12.431 -5.475 174 HG3 GLU 23 HG3 GLU 23 -9.879 -11.558 -4.946 175 H LYS 24 HN LYS 24 -10.545 -11.591 -10.050 176 HA LYS 24 HA LYS 24 -9.885 -14.145 -11.213 177 HB2 LYS 24 HB2 LYS 24 -11.634 -13.755 -12.562 178 HB3 LYS 24 HB3 LYS 24 -11.975 -12.397 -11.507 179 HG2 LYS 24 HG2 LYS 24 -11.214 -10.850 -13.018 180 HG3 LYS 24 HG3 LYS 24 -10.137 -11.999 -13.817 181 HD2 LYS 24 HD2 LYS 24 -12.395 -13.189 -14.446 182 HD3 LYS 24 HD3 LYS 24 -13.068 -11.581 -14.168 183 HE2 LYS 24 HE2 LYS 24 -12.475 -11.084 -16.253 184 HE3 LYS 24 HE3 LYS 24 -10.800 -11.121 -15.701 185 HZ1 LYS 24 HZ1 LYS 24 -11.016 -12.536 -17.584 186 HZ2 LYS 24 HZ2 LYS 24 -12.337 -13.356 -16.909 187 HZ3 LYS 24 HZ3 LYS 24 -10.793 -13.528 -16.224 188 H VAL 25 HN VAL 25 -8.422 -11.113 -11.033 189 HA VAL 25 HA VAL 25 -7.076 -11.181 -13.589 190 HB VAL 25 HB VAL 25 -6.686 -9.414 -11.175 191 HG11 VAL 25 HG11 VAL 25 -4.801 -9.802 -13.050 192 HG12 VAL 25 HG12 VAL 25 -5.740 -8.532 -13.835 193 HG13 VAL 25 HG13 VAL 25 -5.049 -8.258 -12.236 194 HG21 VAL 25 HG21 VAL 25 -8.607 -8.508 -11.878 195 HG22 VAL 25 HG22 VAL 25 -7.663 -7.855 -13.216 196 HG23 VAL 25 HG23 VAL 25 -8.548 -9.366 -13.418 197 HA PRO 26 HA PRO 26 -3.694 -13.636 -11.921 198 HB2 PRO 26 HB2 PRO 26 -2.415 -13.158 -14.509 199 HB3 PRO 26 HB3 PRO 26 -2.951 -14.685 -13.800 200 HG2 PRO 26 HG2 PRO 26 -4.185 -13.547 -15.931 201 HG3 PRO 26 HG3 PRO 26 -5.044 -14.538 -14.737 202 HD2 PRO 26 HD2 PRO 26 -4.935 -11.556 -15.001 203 HD3 PRO 26 HD3 PRO 26 -6.311 -12.603 -14.589 204 H GLY 27 HN GLY 27 -3.034 -12.051 -10.474 205 HA2 GLY 27 HA1 GLY 27 -0.511 -11.076 -10.593 206 HA3 GLY 27 HA2 GLY 27 -1.460 -9.785 -11.325 207 H VAL 28 HN VAL 28 -3.725 -10.789 -9.539 208 HA VAL 28 HA VAL 28 -3.077 -9.119 -7.249 209 HB VAL 28 HB VAL 28 -5.637 -10.422 -8.187 210 HG11 VAL 28 HG11 VAL 28 -6.781 -9.717 -6.327 211 HG12 VAL 28 HG12 VAL 28 -5.223 -10.109 -5.601 212 HG13 VAL 28 HG13 VAL 28 -5.625 -8.433 -5.968 213 HG21 VAL 28 HG21 VAL 28 -5.919 -8.560 -9.363 214 HG22 VAL 28 HG22 VAL 28 -5.795 -7.595 -7.892 215 HG23 VAL 28 HG23 VAL 28 -4.345 -7.981 -8.820 216 H GLN 29 HN GLN 29 -2.031 -10.106 -5.620 217 HA GLN 29 HA GLN 29 -2.365 -12.941 -5.136 218 HB2 GLN 29 HB2 GLN 29 -0.158 -11.729 -4.935 219 HB3 GLN 29 HB3 GLN 29 -0.792 -10.958 -3.488 220 HG2 GLN 29 HG2 GLN 29 0.475 -12.738 -2.692 221 HG3 GLN 29 HG3 GLN 29 -1.186 -13.318 -2.609 222 HE21 GLN 29 HE21 GLN 29 1.365 -14.774 -2.778 223 HE22 GLN 29 HE22 GLN 29 1.214 -15.809 -4.165 224 H SER 30 HN SER 30 -3.437 -9.911 -3.772 225 HA SER 30 HA SER 30 -5.452 -11.336 -2.259 226 HB2 SER 30 HB2 SER 30 -3.837 -9.300 -0.739 227 HB3 SER 30 HB3 SER 30 -4.912 -10.550 -0.114 228 HG SER 30 HG SER 30 -3.158 -11.941 -1.295 229 H ALA 31 HN ALA 31 -7.306 -10.150 -2.019 230 HA ALA 31 HA ALA 31 -7.216 -7.329 -2.849 231 HB1 ALA 31 HB1 ALA 31 -8.217 -8.083 -4.735 232 HB2 ALA 31 HB2 ALA 31 -8.809 -9.554 -3.965 233 HB3 ALA 31 HB3 ALA 31 -9.659 -8.028 -3.723 234 H LEU 32 HN LEU 32 -7.223 -6.833 -0.598 235 HA LEU 32 HA LEU 32 -9.516 -7.669 0.984 236 HB2 LEU 32 HB2 LEU 32 -7.023 -6.101 1.586 237 HB3 LEU 32 HB3 LEU 32 -8.356 -6.170 2.723 238 HG LEU 32 HG LEU 32 -6.797 -8.546 1.704 239 HD11 LEU 32 HD11 LEU 32 -6.829 -7.372 4.473 240 HD12 LEU 32 HD12 LEU 32 -5.779 -8.641 3.843 241 HD13 LEU 32 HD13 LEU 32 -5.601 -6.982 3.268 242 HD21 LEU 32 HD21 LEU 32 -8.131 -9.920 2.982 243 HD22 LEU 32 HD22 LEU 32 -8.686 -8.603 4.014 244 HD23 LEU 32 HD23 LEU 32 -9.309 -8.759 2.372 245 H VAL 33 HN VAL 33 -10.950 -6.542 -0.580 246 HA VAL 33 HA VAL 33 -11.002 -3.685 -0.609 247 HB VAL 33 HB VAL 33 -13.409 -5.371 -1.203 248 HG11 VAL 33 HG11 VAL 33 -12.568 -3.131 -2.925 249 HG12 VAL 33 HG12 VAL 33 -14.172 -3.569 -2.335 250 HG13 VAL 33 HG13 VAL 33 -13.049 -2.707 -1.283 251 HG21 VAL 33 HG21 VAL 33 -10.848 -5.264 -2.706 252 HG22 VAL 33 HG22 VAL 33 -11.993 -6.594 -2.520 253 HG23 VAL 33 HG23 VAL 33 -12.352 -5.268 -3.627 254 H SER 34 HN SER 34 -11.597 -2.444 0.999 255 HA SER 34 HA SER 34 -13.034 -3.615 3.248 256 HB2 SER 34 HB2 SER 34 -12.060 -0.831 3.422 257 HB3 SER 34 HB3 SER 34 -11.878 -2.167 4.560 258 HG SER 34 HG SER 34 -10.438 -2.931 2.605 259 H TYR 35 HN TYR 35 -15.133 -3.375 3.380 260 HA TYR 35 HA TYR 35 -16.668 -1.649 1.767 261 HB2 TYR 35 HB2 TYR 35 -18.275 -3.037 2.380 262 HB3 TYR 35 HB3 TYR 35 -17.141 -3.836 3.447 263 HD1 TYR 35 HD1 TYR 35 -19.609 -1.054 3.341 264 HD2 TYR 35 HD2 TYR 35 -17.558 -3.890 5.758 265 HE1 TYR 35 HE1 TYR 35 -21.001 -0.415 5.264 266 HE2 TYR 35 HE2 TYR 35 -18.946 -3.262 7.687 267 HH TYR 35 HH TYR 35 -20.427 -1.779 8.484 268 HA PRO 36 HA PRO 36 -17.288 1.084 5.684 269 HB2 PRO 36 HB2 PRO 36 -14.940 0.766 7.372 270 HB3 PRO 36 HB3 PRO 36 -16.644 0.585 7.792 271 HG2 PRO 36 HG2 PRO 36 -14.924 -1.509 7.691 272 HG3 PRO 36 HG3 PRO 36 -16.655 -1.662 7.334 273 HD2 PRO 36 HD2 PRO 36 -14.338 -1.461 5.446 274 HD3 PRO 36 HD3 PRO 36 -15.773 -2.506 5.363 275 H LYS 37 HN LYS 37 -14.182 0.586 4.224 276 HA LYS 37 HA LYS 37 -13.452 3.390 4.685 277 HB2 LYS 37 HB2 LYS 37 -11.957 1.105 4.939 278 HB3 LYS 37 HB3 LYS 37 -11.496 1.668 3.337 279 HG2 LYS 37 HG2 LYS 37 -10.716 3.737 4.190 280 HG3 LYS 37 HG3 LYS 37 -11.434 3.428 5.773 281 HD2 LYS 37 HD2 LYS 37 -9.711 1.257 5.132 282 HD3 LYS 37 HD3 LYS 37 -8.834 2.762 4.848 283 HE2 LYS 37 HE2 LYS 37 -8.412 2.700 7.049 284 HE3 LYS 37 HE3 LYS 37 -10.070 3.278 7.223 285 HZ1 LYS 37 HZ1 LYS 37 -10.396 0.605 7.024 286 HZ2 LYS 37 HZ2 LYS 37 -10.335 1.469 8.479 287 HZ3 LYS 37 HZ3 LYS 37 -8.938 0.713 7.882 288 H GLY 38 HN GLY 38 -14.766 1.352 2.348 289 HA2 GLY 38 HA1 GLY 38 -15.283 1.635 0.131 290 HA3 GLY 38 HA2 GLY 38 -14.964 3.348 0.379 291 H THR 39 HN THR 39 -12.597 0.818 0.910 292 HA THR 39 HA THR 39 -11.168 1.678 -1.511 293 HB THR 39 HB THR 39 -9.140 1.286 0.346 294 HG1 THR 39 HG1 THR 39 -11.203 2.896 1.495 295 HG21 THR 39 HG21 THR 39 -10.043 3.287 -1.412 296 HG22 THR 39 HG22 THR 39 -8.475 3.186 -0.613 297 HG23 THR 39 HG23 THR 39 -9.793 4.079 0.145 298 H ALA 40 HN ALA 40 -9.537 0.177 -2.232 299 HA ALA 40 HA ALA 40 -10.023 -2.555 -1.228 300 HB1 ALA 40 HB1 ALA 40 -9.985 -1.451 -3.912 301 HB2 ALA 40 HB2 ALA 40 -8.887 -2.821 -3.740 302 HB3 ALA 40 HB3 ALA 40 -10.594 -3.002 -3.337 303 H GLN 41 HN GLN 41 -8.383 -3.310 -0.067 304 HA GLN 41 HA GLN 41 -5.696 -2.284 -0.460 305 HB2 GLN 41 HB2 GLN 41 -6.820 -2.940 1.786 306 HB3 GLN 41 HB3 GLN 41 -6.411 -4.587 1.328 307 HG2 GLN 41 HG2 GLN 41 -4.130 -4.192 1.451 308 HG3 GLN 41 HG3 GLN 41 -4.332 -2.444 1.330 309 HE21 GLN 41 HE21 GLN 41 -5.219 -5.156 3.424 310 HE22 GLN 41 HE22 GLN 41 -4.987 -4.305 4.917 311 H LEU 42 HN LEU 42 -4.879 -2.995 -2.365 312 HA LEU 42 HA LEU 42 -5.292 -5.810 -3.049 313 HB2 LEU 42 HB2 LEU 42 -4.786 -3.344 -4.654 314 HB3 LEU 42 HB3 LEU 42 -4.374 -4.913 -5.320 315 HG LEU 42 HG LEU 42 -7.105 -4.599 -4.210 316 HD11 LEU 42 HD11 LEU 42 -6.909 -3.775 -7.002 317 HD12 LEU 42 HD12 LEU 42 -7.884 -3.120 -5.687 318 HD13 LEU 42 HD13 LEU 42 -6.202 -2.623 -5.870 319 HD21 LEU 42 HD21 LEU 42 -7.056 -5.766 -6.761 320 HD22 LEU 42 HD22 LEU 42 -5.638 -6.379 -5.909 321 HD23 LEU 42 HD23 LEU 42 -7.244 -6.575 -5.204 322 H ALA 43 HN ALA 43 -3.713 -7.087 -2.465 323 HA ALA 43 HA ALA 43 -0.949 -6.191 -2.497 324 HB1 ALA 43 HB1 ALA 43 -0.448 -8.048 -1.267 325 HB2 ALA 43 HB2 ALA 43 -2.157 -7.902 -0.855 326 HB3 ALA 43 HB3 ALA 43 -1.642 -9.052 -2.089 327 H ILE 44 HN ILE 44 -0.916 -5.712 -4.754 328 HA ILE 44 HA ILE 44 -1.231 -7.887 -6.639 329 HB ILE 44 HB ILE 44 -0.034 -5.842 -8.046 330 HG12 ILE 44 HG12 ILE 44 -1.800 -3.976 -7.169 331 HG13 ILE 44 HG13 ILE 44 -1.367 -4.741 -5.643 332 HG21 ILE 44 HG21 ILE 44 -2.913 -5.546 -7.936 333 HG22 ILE 44 HG22 ILE 44 -1.880 -6.086 -9.259 334 HG23 ILE 44 HG23 ILE 44 -2.418 -7.237 -8.035 335 HD11 ILE 44 HD11 ILE 44 0.051 -2.848 -6.014 336 HD12 ILE 44 HD12 ILE 44 1.013 -4.319 -6.165 337 HD13 ILE 44 HD13 ILE 44 0.505 -3.447 -7.610 338 H VAL 45 HN VAL 45 0.423 -8.694 -7.975 339 HA VAL 45 HA VAL 45 2.983 -8.933 -6.702 340 HB VAL 45 HB VAL 45 2.053 -9.865 -9.429 341 HG11 VAL 45 HG11 VAL 45 4.361 -11.099 -8.024 342 HG12 VAL 45 HG12 VAL 45 4.035 -10.951 -9.750 343 HG13 VAL 45 HG13 VAL 45 4.614 -9.556 -8.840 344 HG21 VAL 45 HG21 VAL 45 1.436 -11.864 -8.492 345 HG22 VAL 45 HG22 VAL 45 2.534 -11.689 -7.123 346 HG23 VAL 45 HG23 VAL 45 1.036 -10.760 -7.175 347 HA PRO 46 HA PRO 46 4.758 -5.176 -8.327 348 HB2 PRO 46 HB2 PRO 46 7.237 -6.797 -7.964 349 HB3 PRO 46 HB3 PRO 46 6.879 -5.151 -7.426 350 HG2 PRO 46 HG2 PRO 46 6.851 -7.167 -5.697 351 HG3 PRO 46 HG3 PRO 46 5.637 -5.877 -5.605 352 HD2 PRO 46 HD2 PRO 46 5.367 -8.666 -6.631 353 HD3 PRO 46 HD3 PRO 46 4.192 -7.668 -5.752 354 H GLY 47 HN GLY 47 4.602 -4.799 -10.425 355 HA2 GLY 47 HA1 GLY 47 5.962 -5.114 -12.553 356 HA3 GLY 47 HA2 GLY 47 5.629 -6.827 -12.315 357 H THR 48 HN THR 48 3.017 -6.705 -11.432 358 HA THR 48 HA THR 48 1.535 -6.137 -13.815 359 HB THR 48 HB THR 48 -0.046 -6.502 -11.380 360 HG1 THR 48 HG1 THR 48 1.699 -7.709 -10.648 361 HG21 THR 48 HG21 THR 48 -0.007 -7.345 -14.152 362 HG22 THR 48 HG22 THR 48 -1.360 -7.249 -13.024 363 HG23 THR 48 HG23 THR 48 -0.352 -8.696 -13.071 364 H SER 49 HN SER 49 0.653 -4.251 -14.365 365 HA SER 49 HA SER 49 0.979 -2.020 -12.632 366 HB2 SER 49 HB2 SER 49 -0.769 -1.528 -14.898 367 HB3 SER 49 HB3 SER 49 0.816 -0.841 -14.534 368 HG SER 49 HG SER 49 0.139 -2.878 -16.236 369 HA PRO 50 HA PRO 50 -2.883 -2.654 -10.511 370 HB2 PRO 50 HB2 PRO 50 -2.364 -0.027 -9.308 371 HB3 PRO 50 HB3 PRO 50 -2.465 -1.611 -8.533 372 HG2 PRO 50 HG2 PRO 50 -0.131 -0.280 -8.792 373 HG3 PRO 50 HG3 PRO 50 -0.228 -2.051 -8.837 374 HD2 PRO 50 HD2 PRO 50 0.036 -0.103 -11.099 375 HD3 PRO 50 HD3 PRO 50 0.830 -1.677 -10.867 376 H ASP 51 HN ASP 51 -2.081 -0.220 -12.685 377 HA ASP 51 HA ASP 51 -4.399 1.415 -12.551 378 HB2 ASP 51 HB2 ASP 51 -2.477 2.342 -13.595 379 HB3 ASP 51 HB3 ASP 51 -2.274 0.945 -14.641 380 H ALA 52 HN ALA 52 -3.613 -1.645 -13.846 381 HA ALA 52 HA ALA 52 -5.661 -1.791 -15.808 382 HB1 ALA 52 HB1 ALA 52 -5.233 -4.286 -15.637 383 HB2 ALA 52 HB2 ALA 52 -3.856 -3.284 -16.094 384 HB3 ALA 52 HB3 ALA 52 -3.997 -3.888 -14.444 385 H LEU 53 HN LEU 53 -5.455 -2.357 -12.407 386 HA LEU 53 HA LEU 53 -7.962 -3.728 -12.154 387 HB2 LEU 53 HB2 LEU 53 -6.566 -2.201 -9.974 388 HB3 LEU 53 HB3 LEU 53 -7.622 -3.592 -9.821 389 HG LEU 53 HG LEU 53 -4.919 -3.732 -11.145 390 HD11 LEU 53 HD11 LEU 53 -4.355 -3.122 -8.973 391 HD12 LEU 53 HD12 LEU 53 -5.694 -4.027 -8.268 392 HD13 LEU 53 HD13 LEU 53 -4.304 -4.885 -8.936 393 HD21 LEU 53 HD21 LEU 53 -5.666 -5.746 -11.735 394 HD22 LEU 53 HD22 LEU 53 -5.613 -6.177 -10.025 395 HD23 LEU 53 HD23 LEU 53 -7.111 -5.577 -10.737 396 H THR 54 HN THR 54 -6.784 -0.435 -11.682 397 HA THR 54 HA THR 54 -9.132 0.833 -10.936 398 HB THR 54 HB THR 54 -7.460 2.290 -12.881 399 HG1 THR 54 HG1 THR 54 -5.854 2.290 -10.910 400 HG21 THR 54 HG21 THR 54 -9.124 3.249 -11.220 401 HG22 THR 54 HG22 THR 54 -7.533 4.007 -11.266 402 HG23 THR 54 HG23 THR 54 -7.936 2.880 -9.972 403 H ALA 55 HN ALA 55 -7.837 0.306 -14.205 404 HA ALA 55 HA ALA 55 -10.081 1.368 -15.563 405 HB1 ALA 55 HB1 ALA 55 -8.977 -0.450 -17.315 406 HB2 ALA 55 HB2 ALA 55 -8.494 1.237 -17.134 407 HB3 ALA 55 HB3 ALA 55 -7.624 -0.027 -16.265 408 H ALA 56 HN ALA 56 -9.293 -1.839 -14.371 409 HA ALA 56 HA ALA 56 -11.362 -3.276 -15.601 410 HB1 ALA 56 HB1 ALA 56 -10.649 -4.024 -12.828 411 HB2 ALA 56 HB2 ALA 56 -10.754 -5.016 -14.282 412 HB3 ALA 56 HB3 ALA 56 -9.341 -3.995 -14.011 413 H VAL 57 HN VAL 57 -11.306 -1.633 -12.433 414 HA VAL 57 HA VAL 57 -14.019 -2.249 -11.842 415 HB VAL 57 HB VAL 57 -12.385 -0.002 -10.699 416 HG11 VAL 57 HG11 VAL 57 -15.002 -1.220 -10.020 417 HG12 VAL 57 HG12 VAL 57 -13.960 -0.708 -8.691 418 HG13 VAL 57 HG13 VAL 57 -14.471 0.459 -9.912 419 HG21 VAL 57 HG21 VAL 57 -12.711 -2.601 -9.294 420 HG22 VAL 57 HG22 VAL 57 -11.525 -2.492 -10.596 421 HG23 VAL 57 HG23 VAL 57 -11.404 -1.421 -9.200 422 H ALA 58 HN ALA 58 -12.416 0.628 -13.212 423 HA ALA 58 HA ALA 58 -14.704 2.214 -13.486 424 HB1 ALA 58 HB1 ALA 58 -12.001 2.180 -14.606 425 HB2 ALA 58 HB2 ALA 58 -13.210 2.924 -15.654 426 HB3 ALA 58 HB3 ALA 58 -12.971 3.529 -14.016 427 H GLY 59 HN GLY 59 -13.536 -0.465 -15.380 428 HA2 GLY 59 HA1 GLY 59 -15.310 -0.010 -17.603 429 HA3 GLY 59 HA2 GLY 59 -14.319 -1.435 -17.328 430 H LEU 60 HN LEU 60 -15.687 -1.349 -14.510 431 HA LEU 60 HA LEU 60 -17.828 -3.144 -15.262 432 HB2 LEU 60 HB2 LEU 60 -16.201 -2.651 -12.914 433 HB3 LEU 60 HB3 LEU 60 -17.888 -2.891 -12.515 434 HG LEU 60 HG LEU 60 -17.004 -4.904 -14.378 435 HD11 LEU 60 HD11 LEU 60 -15.544 -4.979 -11.762 436 HD12 LEU 60 HD12 LEU 60 -15.302 -5.977 -13.196 437 HD13 LEU 60 HD13 LEU 60 -14.819 -4.281 -13.212 438 HD21 LEU 60 HD21 LEU 60 -18.922 -5.341 -13.125 439 HD22 LEU 60 HD22 LEU 60 -17.688 -6.336 -12.352 440 HD23 LEU 60 HD23 LEU 60 -18.177 -4.808 -11.618 441 H GLY 61 HN GLY 61 -17.807 -0.079 -15.469 442 HA2 GLY 61 HA1 GLY 61 -19.639 1.361 -15.640 443 HA3 GLY 61 HA2 GLY 61 -20.579 0.244 -14.662 444 H TYR 62 HN TYR 62 -17.907 0.438 -12.946 445 HA TYR 62 HA TYR 62 -18.995 2.514 -11.212 446 HB2 TYR 62 HB2 TYR 62 -16.672 0.679 -10.619 447 HB3 TYR 62 HB3 TYR 62 -17.650 1.582 -9.473 448 HD1 TYR 62 HD2 TYR 62 -20.351 0.946 -9.955 449 HD2 TYR 62 HD1 TYR 62 -16.962 -1.583 -10.420 450 HE1 TYR 62 HE2 TYR 62 -21.781 -1.026 -9.614 451 HE2 TYR 62 HE1 TYR 62 -18.383 -3.561 -10.080 452 HH TYR 62 HH TYR 62 -21.397 -3.747 -10.472 453 H LYS 63 HN LYS 63 -17.113 3.688 -9.953 454 HA LYS 63 HA LYS 63 -15.187 4.653 -11.956 455 HB2 LYS 63 HB2 LYS 63 -16.811 6.385 -11.390 456 HB3 LYS 63 HB3 LYS 63 -16.492 6.157 -9.678 457 HG2 LYS 63 HG2 LYS 63 -15.315 8.088 -10.243 458 HG3 LYS 63 HG3 LYS 63 -14.087 6.820 -10.204 459 HD2 LYS 63 HD2 LYS 63 -13.724 6.926 -12.441 460 HD3 LYS 63 HD3 LYS 63 -15.414 7.282 -12.804 461 HE2 LYS 63 HE2 LYS 63 -14.974 9.577 -11.797 462 HE3 LYS 63 HE3 LYS 63 -13.263 9.168 -11.887 463 HZ1 LYS 63 HZ1 LYS 63 -13.263 9.247 -14.154 464 HZ2 LYS 63 HZ2 LYS 63 -14.462 10.407 -13.834 465 HZ3 LYS 63 HZ3 LYS 63 -14.902 8.836 -14.292 466 H ALA 64 HN ALA 64 -13.249 3.776 -11.488 467 HA ALA 64 HA ALA 64 -12.557 3.506 -8.644 468 HB1 ALA 64 HB1 ALA 64 -10.983 2.133 -10.758 469 HB2 ALA 64 HB2 ALA 64 -11.344 1.628 -9.106 470 HB3 ALA 64 HB3 ALA 64 -12.584 1.513 -10.354 471 H THR 65 HN THR 65 -10.687 4.277 -7.854 472 HA THR 65 HA THR 65 -8.682 5.357 -9.670 473 HB THR 65 HB THR 65 -9.954 7.342 -9.068 474 HG1 THR 65 HG1 THR 65 -7.939 8.028 -9.151 475 HG21 THR 65 HG21 THR 65 -11.022 6.608 -7.030 476 HG22 THR 65 HG22 THR 65 -10.126 8.098 -6.725 477 HG23 THR 65 HG23 THR 65 -9.462 6.550 -6.207 478 H LEU 66 HN LEU 66 -7.147 6.372 -7.333 479 HA LEU 66 HA LEU 66 -6.808 4.015 -5.676 480 HB2 LEU 66 HB2 LEU 66 -4.327 3.899 -6.286 481 HB3 LEU 66 HB3 LEU 66 -5.478 3.184 -7.398 482 HG LEU 66 HG LEU 66 -5.109 5.845 -8.252 483 HD11 LEU 66 HD11 LEU 66 -2.854 6.252 -8.339 484 HD12 LEU 66 HD12 LEU 66 -2.989 5.492 -6.754 485 HD13 LEU 66 HD13 LEU 66 -2.426 4.553 -8.136 486 HD21 LEU 66 HD21 LEU 66 -5.595 4.216 -9.837 487 HD22 LEU 66 HD22 LEU 66 -3.895 4.578 -10.139 488 HD23 LEU 66 HD23 LEU 66 -4.342 3.126 -9.245 489 H ALA 67 HN ALA 67 -5.771 4.384 -3.799 490 HA ALA 67 HA ALA 67 -4.857 7.146 -3.317 491 HB1 ALA 67 HB1 ALA 67 -6.090 5.255 -1.311 492 HB2 ALA 67 HB2 ALA 67 -5.632 6.935 -1.039 493 HB3 ALA 67 HB3 ALA 67 -6.958 6.550 -2.135 494 H ASP 68 HN ASP 68 -2.757 6.521 -3.952 495 HA ASP 68 HA ASP 68 -1.399 4.432 -2.550 496 HB2 ASP 68 HB2 ASP 68 0.286 4.648 -4.091 497 HB3 ASP 68 HB3 ASP 68 -1.049 5.321 -5.018 498 H ALA 69 HN ALA 69 0.457 4.730 -1.238 499 HA ALA 69 HA ALA 69 0.828 7.403 -0.110 500 HB1 ALA 69 HB1 ALA 69 -0.090 6.859 1.842 501 HB2 ALA 69 HB2 ALA 69 -0.481 5.252 1.225 502 HB3 ALA 69 HB3 ALA 69 1.068 5.541 2.017
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