NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
564792 | 2ma6 | 19329 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 SER 1 HT1 SER 1 0.540 0.308 1.550 2 H2 SER 1 HT2 SER 1 2.099 -0.137 2.040 3 H3 SER 1 HT3 SER 1 1.205 -1.149 1.022 4 HA SER 1 HA SER 1 2.145 1.557 0.337 5 HB2 SER 1 HB2 SER 1 3.736 0.368 -1.185 6 HB3 SER 1 HB1 SER 1 4.029 -0.016 0.510 7 HG SER 1 HG SER 1 3.966 -1.807 -1.096 8 H HIS 2 HN HIS 2 1.743 2.168 -1.852 9 HA HIS 2 HA HIS 2 0.073 0.417 -3.516 10 HB2 HIS 2 HB2 HIS 2 -1.368 2.337 -4.199 11 HB3 HIS 2 HB1 HIS 2 -1.534 1.967 -2.490 12 HD2 HIS 2 HD2 HIS 2 0.027 3.855 -0.808 13 HE1 HIS 2 HE1 HIS 2 -0.468 6.909 -3.683 14 HE2 HIS 2 HE2 HIS 2 -0.030 6.404 -1.237 15 H MET 3 HN MET 3 1.598 -0.058 -4.998 16 HA MET 3 HA MET 3 3.084 2.135 -6.341 17 HB2 MET 3 HB2 MET 3 4.110 -0.664 -5.691 18 HB3 MET 3 HB1 MET 3 4.972 0.511 -6.674 19 HG2 MET 3 HG2 MET 3 5.061 2.026 -4.684 20 HG3 MET 3 HG1 MET 3 4.327 0.745 -3.723 21 HE1 MET 3 HE1 MET 3 8.548 0.480 -5.616 22 HE2 MET 3 HE2 MET 3 7.488 1.886 -5.761 23 HE3 MET 3 HE3 MET 3 7.085 0.385 -6.596 24 HA PRO 4 HA PRO 4 1.034 0.169 -9.944 25 HB2 PRO 4 HB2 PRO 4 1.647 2.070 -11.796 26 HB3 PRO 4 HB1 PRO 4 0.414 2.344 -10.556 27 HG2 PRO 4 HG2 PRO 4 3.293 3.253 -10.584 28 HG3 PRO 4 HG1 PRO 4 1.832 4.186 -10.183 29 HD2 PRO 4 HD2 PRO 4 3.454 3.076 -8.273 30 HD3 PRO 4 HD1 PRO 4 1.709 3.303 -8.036 31 H THR 5 HN THR 5 4.351 1.316 -9.745 32 HA THR 5 HA THR 5 5.308 -0.299 -11.960 33 HB THR 5 HB THR 5 7.542 0.691 -11.315 34 HG1 THR 5 HG1 THR 5 7.423 1.175 -9.188 35 HG21 THR 5 HG21 THR 5 5.318 2.729 -11.687 36 HG22 THR 5 HG22 THR 5 6.117 1.829 -12.979 37 HG23 THR 5 HG23 THR 5 7.032 2.992 -12.020 38 H SER 6 HN SER 6 5.341 -2.415 -11.502 39 HA SER 6 HA SER 6 6.232 -3.422 -8.877 40 HB2 SER 6 HB2 SER 6 4.010 -4.167 -9.665 41 HB3 SER 6 HB1 SER 6 4.730 -4.821 -11.139 42 HG SER 6 HG SER 6 5.128 -5.660 -8.465 43 H GLU 7 HN GLU 7 7.725 -5.231 -8.824 44 HA GLU 7 HA GLU 7 10.042 -4.862 -10.430 45 HB2 GLU 7 HB2 GLU 7 9.328 -7.151 -8.549 46 HB3 GLU 7 HB1 GLU 7 10.942 -6.828 -9.181 47 HG2 GLU 7 HG2 GLU 7 10.949 -4.633 -8.008 48 HG3 GLU 7 HG1 GLU 7 9.351 -4.990 -7.354 49 H GLU 8 HN GLU 8 7.389 -7.166 -10.519 50 HA GLU 8 HA GLU 8 8.154 -8.057 -13.227 51 HB2 GLU 8 HB2 GLU 8 7.417 -9.864 -10.873 52 HB3 GLU 8 HB1 GLU 8 7.316 -10.410 -12.543 53 HG2 GLU 8 HG2 GLU 8 9.722 -10.123 -12.834 54 HG3 GLU 8 HG1 GLU 8 9.863 -9.425 -11.221 55 H ASP 9 HN ASP 9 5.854 -9.814 -13.493 56 HA ASP 9 HA ASP 9 3.636 -7.944 -13.599 57 HB2 ASP 9 HB2 ASP 9 2.414 -9.759 -14.706 58 HB3 ASP 9 HB1 ASP 9 4.015 -9.591 -15.412 59 H LEU 10 HN LEU 10 4.403 -8.105 -10.992 60 HA LEU 10 HA LEU 10 3.279 -10.227 -9.490 61 HB2 LEU 10 HB2 LEU 10 4.199 -7.514 -8.549 62 HB3 LEU 10 HB1 LEU 10 3.786 -8.856 -7.497 63 HG LEU 10 HG LEU 10 6.092 -8.843 -9.497 64 HD11 LEU 10 HD11 LEU 10 6.153 -8.668 -6.471 65 HD12 LEU 10 HD12 LEU 10 6.546 -7.364 -7.593 66 HD13 LEU 10 HD13 LEU 10 7.567 -8.799 -7.523 67 HD21 LEU 10 HD21 LEU 10 5.310 -10.959 -7.449 68 HD22 LEU 10 HD22 LEU 10 6.766 -10.987 -8.443 69 HD23 LEU 10 HD23 LEU 10 5.182 -11.120 -9.203 70 H CYS 11 HN CYS 11 1.312 -10.546 -8.803 71 HA CYS 11 HA CYS 11 -1.005 -9.273 -9.597 72 HB2 CYS 11 HB2 CYS 11 -0.929 -11.568 -8.629 73 HB3 CYS 11 HB1 CYS 11 -0.476 -10.900 -7.066 74 HA PRO 12 HA PRO 12 -0.324 -5.454 -7.148 75 HB2 PRO 12 HB2 PRO 12 -2.648 -4.116 -7.837 76 HB3 PRO 12 HB1 PRO 12 -1.230 -4.227 -8.887 77 HG2 PRO 12 HG2 PRO 12 -3.734 -5.913 -8.901 78 HG3 PRO 12 HG1 PRO 12 -2.895 -5.156 -10.276 79 HD2 PRO 12 HD2 PRO 12 -2.565 -7.765 -9.723 80 HD3 PRO 12 HD1 PRO 12 -1.192 -6.787 -10.285 81 H ILE 13 HN ILE 13 -3.131 -7.483 -6.798 82 HA ILE 13 HA ILE 13 -4.303 -6.364 -4.470 83 HB ILE 13 HB ILE 13 -4.364 -9.237 -5.505 84 HG12 ILE 13 HG12 ILE 13 -6.327 -6.952 -6.039 85 HG13 ILE 13 HG11 ILE 13 -5.149 -7.569 -7.191 86 HG21 ILE 13 HG21 ILE 13 -6.499 -9.491 -4.256 87 HG22 ILE 13 HG22 ILE 13 -6.287 -7.878 -3.571 88 HG23 ILE 13 HG23 ILE 13 -5.146 -9.163 -3.173 89 HD11 ILE 13 HD11 ILE 13 -7.474 -9.126 -6.056 90 HD12 ILE 13 HD12 ILE 13 -6.308 -9.716 -7.242 91 HD13 ILE 13 HD13 ILE 13 -7.391 -8.389 -7.656 92 H CYS 14 HN CYS 14 -1.443 -8.282 -4.930 93 HA CYS 14 HA CYS 14 -1.402 -9.232 -2.135 94 HB2 CYS 14 HB2 CYS 14 -0.659 -10.824 -4.603 95 HB3 CYS 14 HB1 CYS 14 -0.535 -11.393 -2.939 96 H TYR 15 HN TYR 15 0.474 -8.112 -4.858 97 HA TYR 15 HA TYR 15 2.567 -7.516 -5.279 98 HB2 TYR 15 HB2 TYR 15 2.743 -7.298 -2.264 99 HB3 TYR 15 HB1 TYR 15 4.105 -6.906 -3.308 100 HD1 TYR 15 HD1 TYR 15 0.498 -6.010 -2.743 101 HD2 TYR 15 HD2 TYR 15 4.304 -4.705 -4.194 102 HE1 TYR 15 HE1 TYR 15 -0.394 -3.740 -3.040 103 HE2 TYR 15 HE2 TYR 15 3.401 -2.435 -4.485 104 HH TYR 15 HH TYR 15 0.341 -1.488 -3.202 105 H ALA 16 HN ALA 16 2.510 -10.153 -2.863 106 HA ALA 16 HA ALA 16 5.229 -10.830 -3.070 107 HB1 ALA 16 HB1 ALA 16 2.955 -12.521 -1.995 108 HB2 ALA 16 HB2 ALA 16 3.846 -11.303 -1.081 109 HB3 ALA 16 HB3 ALA 16 4.675 -12.747 -1.667 110 H HIS 17 HN HIS 17 2.381 -12.108 -4.781 111 HA HIS 17 HA HIS 17 4.110 -13.972 -6.326 112 HB2 HIS 17 HB2 HIS 17 1.239 -14.335 -5.364 113 HB3 HIS 17 HB1 HIS 17 1.927 -15.322 -6.649 114 HD1 HIS 17 HD1 HIS 17 2.700 -17.508 -5.817 115 HD2 HIS 17 HD2 HIS 17 3.040 -14.594 -2.879 116 HE1 HIS 17 HE1 HIS 17 3.568 -18.692 -3.791 117 HE2 HIS 17 HE2 HIS 17 3.659 -16.927 -1.998 118 HA PRO 18 HA PRO 18 2.659 -11.692 -9.867 119 HB2 PRO 18 HB2 PRO 18 3.492 -13.205 -11.895 120 HB3 PRO 18 HB1 PRO 18 4.658 -12.540 -10.740 121 HG2 PRO 18 HG2 PRO 18 3.498 -15.316 -10.872 122 HG3 PRO 18 HG1 PRO 18 5.182 -14.822 -10.599 123 HD2 PRO 18 HD2 PRO 18 3.387 -15.492 -8.569 124 HD3 PRO 18 HD1 PRO 18 4.835 -14.491 -8.343 125 H ILE 19 HN ILE 19 1.604 -12.187 -12.143 126 HA ILE 19 HA ILE 19 -1.070 -13.200 -11.655 127 HB ILE 19 HB ILE 19 0.275 -12.001 -14.113 128 HG12 ILE 19 HG12 ILE 19 -1.816 -10.811 -12.220 129 HG13 ILE 19 HG11 ILE 19 -0.103 -10.419 -12.203 130 HG21 ILE 19 HG21 ILE 19 -2.664 -12.736 -13.813 131 HG22 ILE 19 HG22 ILE 19 -1.500 -13.514 -14.889 132 HG23 ILE 19 HG23 ILE 19 -1.959 -11.835 -15.158 133 HD11 ILE 19 HD11 ILE 19 -0.323 -9.421 -14.440 134 HD12 ILE 19 HD12 ILE 19 -1.396 -8.672 -13.260 135 HD13 ILE 19 HD13 ILE 19 -2.047 -9.811 -14.436 136 H SER 20 HN SER 20 -1.989 -15.025 -12.524 137 HA SER 20 HA SER 20 -0.583 -16.725 -14.430 138 HB2 SER 20 HB2 SER 20 0.229 -17.428 -12.164 139 HB3 SER 20 HB1 SER 20 -1.433 -17.795 -11.702 140 HG SER 20 HG SER 20 0.173 -19.022 -13.675 141 H ALA 21 HN ALA 21 -3.433 -15.318 -13.413 142 HA ALA 21 HA ALA 21 -5.129 -17.259 -14.836 143 HB1 ALA 21 HB1 ALA 21 -5.350 -17.769 -12.420 144 HB2 ALA 21 HB2 ALA 21 -6.860 -17.138 -13.077 145 HB3 ALA 21 HB3 ALA 21 -5.819 -16.098 -12.101 146 H VAL 22 HN VAL 22 -6.455 -16.309 -16.230 147 HA VAL 22 HA VAL 22 -7.034 -13.420 -16.119 148 HB VAL 22 HB VAL 22 -5.926 -14.254 -18.199 149 HG11 VAL 22 HG11 VAL 22 -6.823 -16.542 -18.296 150 HG12 VAL 22 HG12 VAL 22 -7.137 -15.689 -19.808 151 HG13 VAL 22 HG13 VAL 22 -8.439 -15.914 -18.640 152 HG21 VAL 22 HG21 VAL 22 -7.345 -12.266 -18.352 153 HG22 VAL 22 HG22 VAL 22 -8.769 -13.269 -18.637 154 HG23 VAL 22 HG23 VAL 22 -7.475 -13.213 -19.836 155 H PHE 23 HN PHE 23 -9.181 -12.719 -16.321 156 HA PHE 23 HA PHE 23 -11.256 -14.685 -15.535 157 HB2 PHE 23 HB2 PHE 23 -11.165 -11.717 -14.816 158 HB3 PHE 23 HB1 PHE 23 -12.316 -12.913 -14.221 159 HD1 PHE 23 HD1 PHE 23 -10.728 -15.186 -13.419 160 HD2 PHE 23 HD2 PHE 23 -9.810 -11.026 -13.019 161 HE1 PHE 23 HE1 PHE 23 -9.238 -15.690 -11.532 162 HE2 PHE 23 HE2 PHE 23 -8.333 -11.547 -11.130 163 HZ PHE 23 HZ PHE 23 -8.034 -13.877 -10.393 164 H GLN 24 HN GLN 24 -11.916 -15.133 -17.597 165 HA GLN 24 HA GLN 24 -12.519 -13.131 -19.567 166 HB2 GLN 24 HB2 GLN 24 -12.821 -16.155 -19.468 167 HB3 GLN 24 HB1 GLN 24 -13.446 -15.218 -20.828 168 HG2 GLN 24 HG2 GLN 24 -11.178 -14.296 -21.203 169 HG3 GLN 24 HG1 GLN 24 -10.556 -15.327 -19.916 170 HE21 GLN 24 HE21 GLN 24 -11.769 -15.204 -23.165 171 HE22 GLN 24 HE22 GLN 24 -11.305 -16.805 -23.623 172 HA PRO 25 HA PRO 25 -13.872 -13.148 -21.525 173 HB2 PRO 25 HB2 PRO 25 -16.125 -11.367 -22.190 174 HB3 PRO 25 HB1 PRO 25 -15.673 -12.908 -22.927 175 HG2 PRO 25 HG2 PRO 25 -17.923 -12.646 -21.414 176 HG3 PRO 25 HG1 PRO 25 -16.978 -14.153 -21.472 177 HD2 PRO 25 HD2 PRO 25 -16.880 -11.959 -19.395 178 HD3 PRO 25 HD1 PRO 25 -17.061 -13.712 -19.164 179 H CYS 26 HN CYS 26 -14.257 -11.149 -18.908 180 HA CYS 26 HA CYS 26 -13.931 -8.542 -19.921 181 HB2 CYS 26 HB2 CYS 26 -14.696 -8.914 -17.646 182 HB3 CYS 26 HB1 CYS 26 -13.180 -9.699 -17.218 183 H GLY 27 HN GLY 27 -11.500 -10.826 -18.642 184 HA2 GLY 27 HA2 GLY 27 -9.390 -11.148 -19.641 185 HA3 GLY 27 HA1 GLY 27 -9.436 -9.522 -20.291 186 H HIS 28 HN HIS 28 -10.383 -9.118 -17.122 187 HA HIS 28 HA HIS 28 -7.915 -8.053 -16.226 188 HB2 HIS 28 HB2 HIS 28 -10.539 -8.603 -14.861 189 HB3 HIS 28 HB1 HIS 28 -9.139 -8.376 -13.820 190 HD2 HIS 28 HD2 HIS 28 -7.708 -5.854 -15.219 191 HE1 HIS 28 HE1 HIS 28 -11.476 -4.025 -14.707 192 HE2 HIS 28 HE2 HIS 28 -8.997 -3.628 -14.902 193 H LYS 29 HN LYS 29 -6.439 -8.829 -14.615 194 HA LYS 29 HA LYS 29 -6.307 -11.778 -14.426 195 HB2 LYS 29 HB2 LYS 29 -4.009 -9.997 -15.332 196 HB3 LYS 29 HB1 LYS 29 -3.986 -11.750 -15.190 197 HG2 LYS 29 HG2 LYS 29 -5.628 -11.929 -17.005 198 HG3 LYS 29 HG1 LYS 29 -5.679 -10.170 -17.133 199 HD2 LYS 29 HD2 LYS 29 -3.175 -10.268 -17.646 200 HD3 LYS 29 HD1 LYS 29 -3.364 -12.019 -17.788 201 HE2 LYS 29 HE2 LYS 29 -3.480 -10.999 -19.997 202 HE3 LYS 29 HE1 LYS 29 -5.060 -11.662 -19.572 203 HZ1 LYS 29 HZ1 LYS 29 -5.741 -9.403 -18.905 204 HZ2 LYS 29 HZ2 LYS 29 -5.321 -9.492 -20.540 205 HZ3 LYS 29 HZ3 LYS 29 -4.245 -8.806 -19.429 206 H SER 30 HN SER 30 -5.181 -12.579 -12.693 207 HA SER 30 HA SER 30 -3.430 -11.038 -11.025 208 HB2 SER 30 HB2 SER 30 -4.708 -11.169 -8.938 209 HB3 SER 30 HB1 SER 30 -5.692 -10.330 -10.136 210 HG SER 30 HG SER 30 -6.603 -12.522 -10.522 211 H CYS 31 HN CYS 31 -3.272 -12.682 -8.815 212 HA CYS 31 HA CYS 31 -2.075 -15.067 -9.870 213 HB2 CYS 31 HB2 CYS 31 -1.343 -15.498 -7.610 214 HB3 CYS 31 HB1 CYS 31 -1.171 -13.773 -7.896 215 H LYS 32 HN LYS 32 -2.676 -17.264 -9.371 216 HA LYS 32 HA LYS 32 -5.387 -17.918 -9.662 217 HB2 LYS 32 HB2 LYS 32 -3.101 -19.648 -8.633 218 HB3 LYS 32 HB1 LYS 32 -4.688 -20.269 -9.085 219 HG2 LYS 32 HG2 LYS 32 -4.328 -19.491 -11.414 220 HG3 LYS 32 HG1 LYS 32 -2.736 -18.885 -10.958 221 HD2 LYS 32 HD2 LYS 32 -2.528 -21.067 -12.086 222 HD3 LYS 32 HD1 LYS 32 -2.004 -21.190 -10.403 223 HE2 LYS 32 HE2 LYS 32 -3.375 -23.136 -11.091 224 HE3 LYS 32 HE1 LYS 32 -4.142 -22.232 -9.784 225 HZ1 LYS 32 HZ1 LYS 32 -5.666 -22.917 -11.588 226 HZ2 LYS 32 HZ2 LYS 32 -4.833 -21.911 -12.650 227 HZ3 LYS 32 HZ3 LYS 32 -5.647 -21.252 -11.333 228 H ALA 33 HN ALA 33 -3.372 -17.724 -6.753 229 HA ALA 33 HA ALA 33 -5.071 -18.823 -4.840 230 HB1 ALA 33 HB1 ALA 33 -2.711 -18.298 -4.415 231 HB2 ALA 33 HB2 ALA 33 -3.752 -17.585 -3.183 232 HB3 ALA 33 HB3 ALA 33 -3.078 -16.571 -4.460 233 H CYS 34 HN CYS 34 -5.194 -15.645 -6.347 234 HA CYS 34 HA CYS 34 -6.851 -14.266 -4.535 235 HB2 CYS 34 HB2 CYS 34 -6.056 -13.816 -7.366 236 HB3 CYS 34 HB1 CYS 34 -7.622 -13.144 -6.948 237 H ILE 35 HN ILE 35 -7.798 -15.966 -7.545 238 HA ILE 35 HA ILE 35 -10.561 -15.478 -7.140 239 HB ILE 35 HB ILE 35 -9.732 -15.722 -9.402 240 HG12 ILE 35 HG12 ILE 35 -11.387 -17.373 -10.311 241 HG13 ILE 35 HG11 ILE 35 -11.628 -18.009 -8.692 242 HG21 ILE 35 HG21 ILE 35 -8.938 -17.870 -10.334 243 HG22 ILE 35 HG22 ILE 35 -9.019 -18.594 -8.728 244 HG23 ILE 35 HG23 ILE 35 -7.885 -17.281 -9.046 245 HD11 ILE 35 HD11 ILE 35 -12.564 -15.875 -7.981 246 HD12 ILE 35 HD12 ILE 35 -13.427 -16.525 -9.374 247 HD13 ILE 35 HD13 ILE 35 -12.282 -15.202 -9.590 248 H ASN 36 HN ASN 36 -8.501 -18.325 -6.509 249 HA ASN 36 HA ASN 36 -10.507 -20.180 -5.852 250 HB2 ASN 36 HB2 ASN 36 -7.639 -19.938 -4.864 251 HB3 ASN 36 HB1 ASN 36 -8.665 -21.327 -4.523 252 HD21 ASN 36 HD21 ASN 36 -7.172 -22.670 -5.602 253 HD22 ASN 36 HD22 ASN 36 -7.067 -22.720 -7.321 254 H GLN 37 HN GLN 37 -8.782 -17.829 -3.806 255 HA GLN 37 HA GLN 37 -10.143 -18.458 -1.353 256 HB2 GLN 37 HB2 GLN 37 -7.875 -17.429 -1.483 257 HB3 GLN 37 HB1 GLN 37 -8.568 -15.972 -2.172 258 HG2 GLN 37 HG2 GLN 37 -9.516 -16.869 0.544 259 HG3 GLN 37 HG1 GLN 37 -7.923 -16.148 0.415 260 HE21 GLN 37 HE21 GLN 37 -11.342 -15.565 0.310 261 HE22 GLN 37 HE22 GLN 37 -11.240 -13.841 0.263 262 H HIS 38 HN HIS 38 -10.690 -16.279 -4.038 263 HA HIS 38 HA HIS 38 -12.608 -14.543 -2.827 264 HB2 HIS 38 HB2 HIS 38 -11.187 -13.916 -4.790 265 HB3 HIS 38 HB1 HIS 38 -12.079 -15.054 -5.784 266 HD2 HIS 38 HD2 HIS 38 -14.297 -14.009 -6.977 267 HE1 HIS 38 HE1 HIS 38 -14.312 -10.364 -4.839 268 HE2 HIS 38 HE2 HIS 38 -15.143 -11.568 -6.886 269 H LEU 39 HN LEU 39 -12.802 -17.623 -4.516 270 HA LEU 39 HA LEU 39 -15.591 -17.545 -5.148 271 HB2 LEU 39 HB2 LEU 39 -13.611 -19.838 -4.957 272 HB3 LEU 39 HB1 LEU 39 -15.282 -20.066 -5.462 273 HG LEU 39 HG LEU 39 -13.284 -18.274 -6.905 274 HD11 LEU 39 HD11 LEU 39 -13.193 -19.970 -8.665 275 HD12 LEU 39 HD12 LEU 39 -14.217 -21.039 -7.701 276 HD13 LEU 39 HD13 LEU 39 -12.605 -20.607 -7.129 277 HD21 LEU 39 HD21 LEU 39 -16.074 -19.138 -7.733 278 HD22 LEU 39 HD22 LEU 39 -14.955 -18.186 -8.712 279 HD23 LEU 39 HD23 LEU 39 -15.595 -17.520 -7.213 280 H MET 40 HN MET 40 -13.927 -17.971 -2.237 281 HA MET 40 HA MET 40 -15.997 -19.402 -0.788 282 HB2 MET 40 HB2 MET 40 -13.622 -17.812 0.266 283 HB3 MET 40 HB1 MET 40 -14.618 -18.921 1.197 284 HG2 MET 40 HG2 MET 40 -12.856 -19.734 -1.130 285 HG3 MET 40 HG1 MET 40 -12.412 -19.858 0.570 286 HE1 MET 40 HE1 MET 40 -15.388 -21.064 -1.942 287 HE2 MET 40 HE2 MET 40 -15.045 -22.785 -1.774 288 HE3 MET 40 HE3 MET 40 -13.808 -21.700 -2.407 289 H ASN 41 HN ASN 41 -15.538 -16.231 -1.868 290 HA ASN 41 HA ASN 41 -17.470 -15.057 0.054 291 HB2 ASN 41 HB2 ASN 41 -15.270 -13.659 -1.539 292 HB3 ASN 41 HB1 ASN 41 -16.430 -12.841 -0.497 293 HD21 ASN 41 HD21 ASN 41 -13.442 -13.127 -0.431 294 HD22 ASN 41 HD22 ASN 41 -13.092 -13.639 1.185 295 H ASN 42 HN ASN 42 -16.288 -14.150 -3.232 296 HA ASN 42 HA ASN 42 -19.077 -14.033 -4.262 297 HB2 ASN 42 HB2 ASN 42 -16.778 -12.112 -4.840 298 HB3 ASN 42 HB1 ASN 42 -18.373 -12.024 -5.580 299 HD21 ASN 42 HD21 ASN 42 -16.922 -10.057 -4.022 300 HD22 ASN 42 HD22 ASN 42 -17.948 -9.649 -2.694 301 H LYS 43 HN LYS 43 -18.655 -13.484 -6.886 302 HA LYS 43 HA LYS 43 -16.515 -15.199 -7.999 303 HB2 LYS 43 HB2 LYS 43 -19.434 -15.155 -8.922 304 HB3 LYS 43 HB1 LYS 43 -18.133 -15.951 -9.799 305 HG2 LYS 43 HG2 LYS 43 -17.772 -17.440 -7.812 306 HG3 LYS 43 HG1 LYS 43 -19.165 -16.687 -7.039 307 HD2 LYS 43 HD2 LYS 43 -20.625 -17.506 -8.853 308 HD3 LYS 43 HD1 LYS 43 -19.234 -18.230 -9.663 309 HE2 LYS 43 HE2 LYS 43 -18.899 -19.718 -7.689 310 HE3 LYS 43 HE1 LYS 43 -20.327 -19.016 -6.933 311 HZ1 LYS 43 HZ1 LYS 43 -20.906 -21.084 -7.949 312 HZ2 LYS 43 HZ2 LYS 43 -20.236 -20.620 -9.430 313 HZ3 LYS 43 HZ3 LYS 43 -21.620 -19.845 -8.854 314 H ASP 44 HN ASP 44 -16.858 -12.249 -7.547 315 HA ASP 44 HA ASP 44 -17.338 -11.155 -10.220 316 HB2 ASP 44 HB2 ASP 44 -17.363 -8.983 -9.246 317 HB3 ASP 44 HB1 ASP 44 -18.231 -10.027 -8.138 318 H CYS 45 HN CYS 45 -15.815 -9.370 -10.950 319 HA CYS 45 HA CYS 45 -13.229 -10.688 -11.399 320 HB2 CYS 45 HB2 CYS 45 -14.649 -10.268 -13.341 321 HB3 CYS 45 HB1 CYS 45 -14.745 -8.560 -12.948 322 H PHE 46 HN PHE 46 -13.655 -9.116 -8.977 323 HA PHE 46 HA PHE 46 -12.450 -7.849 -7.570 324 HB2 PHE 46 HB2 PHE 46 -10.212 -8.341 -9.579 325 HB3 PHE 46 HB1 PHE 46 -9.985 -7.802 -7.921 326 HD1 PHE 46 HD2 PHE 46 -11.079 -10.669 -10.032 327 HD2 PHE 46 HD1 PHE 46 -9.976 -9.398 -6.098 328 HE1 PHE 46 HE2 PHE 46 -10.911 -13.014 -9.317 329 HE2 PHE 46 HE1 PHE 46 -9.814 -11.752 -5.400 330 HZ PHE 46 HZ PHE 46 -10.276 -13.553 -7.007 331 H PHE 47 HN PHE 47 -10.793 -6.732 -10.502 332 HA PHE 47 HA PHE 47 -10.485 -4.086 -9.536 333 HB2 PHE 47 HB2 PHE 47 -9.920 -5.124 -12.341 334 HB3 PHE 47 HB1 PHE 47 -9.196 -3.714 -11.573 335 HD1 PHE 47 HD1 PHE 47 -7.741 -4.138 -9.466 336 HD2 PHE 47 HD2 PHE 47 -8.845 -7.225 -12.211 337 HE1 PHE 47 HE1 PHE 47 -5.867 -5.523 -8.679 338 HE2 PHE 47 HE2 PHE 47 -6.969 -8.600 -11.416 339 HZ PHE 47 HZ PHE 47 -5.481 -7.752 -9.651 340 H CYS 48 HN CYS 48 -13.045 -5.522 -11.290 341 HA CYS 48 HA CYS 48 -14.277 -2.881 -11.788 342 HB2 CYS 48 HB2 CYS 48 -14.896 -3.413 -14.048 343 HB3 CYS 48 HB1 CYS 48 -13.177 -3.789 -13.919 344 H LYS 49 HN LYS 49 -14.536 -6.025 -10.572 345 HA LYS 49 HA LYS 49 -16.127 -7.246 -9.572 346 HB2 LYS 49 HB2 LYS 49 -16.507 -4.921 -8.551 347 HB3 LYS 49 HB1 LYS 49 -17.874 -4.756 -9.643 348 HG2 LYS 49 HG2 LYS 49 -18.919 -6.751 -8.578 349 HG3 LYS 49 HG1 LYS 49 -17.562 -6.832 -7.453 350 HD2 LYS 49 HD2 LYS 49 -18.158 -4.563 -6.609 351 HD3 LYS 49 HD1 LYS 49 -19.533 -4.530 -7.715 352 HE2 LYS 49 HE2 LYS 49 -19.132 -6.483 -5.423 353 HE3 LYS 49 HE1 LYS 49 -20.267 -5.132 -5.452 354 HZ1 LYS 49 HZ1 LYS 49 -21.389 -6.205 -7.322 355 HZ2 LYS 49 HZ2 LYS 49 -21.393 -7.175 -5.941 356 HZ3 LYS 49 HZ3 LYS 49 -20.336 -7.523 -7.209 357 H THR 50 HN THR 50 -16.210 -6.955 -12.623 358 HA THR 50 HA THR 50 -18.882 -7.540 -13.464 359 HB THR 50 HB THR 50 -16.214 -8.195 -14.821 360 HG1 THR 50 HG1 THR 50 -17.950 -5.965 -15.180 361 HG21 THR 50 HG21 THR 50 -17.500 -8.187 -16.940 362 HG22 THR 50 HG22 THR 50 -19.002 -7.967 -16.042 363 HG23 THR 50 HG23 THR 50 -18.074 -9.460 -15.863 364 H THR 51 HN THR 51 -19.779 -9.625 -14.033 365 HA THR 51 HA THR 51 -19.147 -11.849 -12.400 366 HB THR 51 HB THR 51 -20.725 -11.813 -15.011 367 HG1 THR 51 HG1 THR 51 -21.838 -11.765 -12.411 368 HG21 THR 51 HG21 THR 51 -20.153 -14.129 -14.397 369 HG22 THR 51 HG22 THR 51 -21.867 -13.840 -14.099 370 HG23 THR 51 HG23 THR 51 -20.730 -13.866 -12.746 371 H ILE 52 HN ILE 52 -17.407 -13.161 -12.560 372 HA ILE 52 HA ILE 52 -15.894 -13.497 -15.020 373 HB ILE 52 HB ILE 52 -15.641 -15.124 -12.444 374 HG12 ILE 52 HG12 ILE 52 -14.049 -12.634 -13.236 375 HG13 ILE 52 HG11 ILE 52 -15.306 -12.672 -12.004 376 HG21 ILE 52 HG21 ILE 52 -13.347 -15.622 -13.287 377 HG22 ILE 52 HG22 ILE 52 -13.695 -14.725 -14.765 378 HG23 ILE 52 HG23 ILE 52 -14.589 -16.202 -14.397 379 HD11 ILE 52 HD11 ILE 52 -13.103 -12.711 -11.026 380 HD12 ILE 52 HD12 ILE 52 -12.698 -14.179 -11.914 381 HD13 ILE 52 HD13 ILE 52 -13.957 -14.213 -10.674 382 H VAL 53 HN VAL 53 -16.807 -14.696 -16.597 383 HA VAL 53 HA VAL 53 -18.675 -16.840 -16.125 384 HB VAL 53 HB VAL 53 -17.266 -15.982 -18.698 385 HG11 VAL 53 HG11 VAL 53 -19.627 -17.878 -18.358 386 HG12 VAL 53 HG12 VAL 53 -18.003 -18.328 -18.881 387 HG13 VAL 53 HG13 VAL 53 -19.000 -17.291 -19.902 388 HG21 VAL 53 HG21 VAL 53 -19.425 -14.883 -19.255 389 HG22 VAL 53 HG22 VAL 53 -18.734 -14.224 -17.772 390 HG23 VAL 53 HG23 VAL 53 -20.075 -15.366 -17.685 391 H SER 54 HN SER 54 -15.239 -16.632 -17.156 392 HA SER 54 HA SER 54 -14.801 -19.399 -16.235 393 HB2 SER 54 HB2 SER 54 -13.888 -18.397 -18.978 394 HB3 SER 54 HB1 SER 54 -13.566 -19.991 -18.290 395 HG SER 54 HG SER 54 -16.144 -19.713 -18.166 396 H VAL 55 HN VAL 55 -12.963 -19.585 -15.101 397 HA VAL 55 HA VAL 55 -10.891 -17.471 -15.183 398 HB VAL 55 HB VAL 55 -11.163 -19.786 -13.201 399 HG11 VAL 55 HG11 VAL 55 -9.602 -18.484 -11.797 400 HG12 VAL 55 HG12 VAL 55 -9.478 -17.256 -13.058 401 HG13 VAL 55 HG13 VAL 55 -8.875 -18.887 -13.353 402 HG21 VAL 55 HG21 VAL 55 -12.106 -18.189 -11.604 403 HG22 VAL 55 HG22 VAL 55 -13.126 -18.291 -13.039 404 HG23 VAL 55 HG23 VAL 55 -12.054 -16.906 -12.814 405 H GLU 56 HN GLU 56 -9.509 -17.944 -16.810 406 HA GLU 56 HA GLU 56 -8.553 -20.721 -17.170 407 HB2 GLU 56 HB2 GLU 56 -8.409 -18.338 -19.066 408 HB3 GLU 56 HB1 GLU 56 -7.782 -19.949 -19.406 409 HG2 GLU 56 HG2 GLU 56 -10.688 -19.188 -19.001 410 HG3 GLU 56 HG1 GLU 56 -9.914 -19.625 -20.522 411 H ASP 57 HN ASP 57 -6.311 -21.060 -17.487 412 HA ASP 57 HA ASP 57 -4.590 -19.439 -15.831 413 HB2 ASP 57 HB2 ASP 57 -4.004 -21.879 -17.574 414 HB3 ASP 57 HB1 ASP 57 -2.838 -21.126 -16.487 415 H TRP 58 HN TRP 58 -3.975 -17.512 -16.655 416 HA TRP 58 HA TRP 58 -3.467 -17.051 -19.454 417 HB2 TRP 58 HB2 TRP 58 -4.259 -15.196 -18.004 418 HB3 TRP 58 HB1 TRP 58 -2.789 -15.310 -17.035 419 HD1 TRP 58 HD1 TRP 58 -3.751 -14.574 -20.745 420 HE1 TRP 58 HE1 TRP 58 -2.066 -12.880 -21.693 421 HE3 TRP 58 HE3 TRP 58 -0.622 -14.171 -16.708 422 HZ2 TRP 58 HZ2 TRP 58 0.265 -11.551 -20.855 423 HZ3 TRP 58 HZ3 TRP 58 1.329 -12.673 -16.868 424 HH2 TRP 58 HH2 TRP 58 1.762 -11.388 -18.906 425 H GLU 59 HN GLU 59 -1.742 -17.988 -20.389 426 HA GLU 59 HA GLU 59 0.758 -18.545 -19.046 427 HB2 GLU 59 HB2 GLU 59 0.032 -18.647 -22.006 428 HB3 GLU 59 HB1 GLU 59 1.480 -19.347 -21.281 429 HG2 GLU 59 HG2 GLU 59 0.139 -20.962 -20.042 430 HG3 GLU 59 HG1 GLU 59 -1.354 -20.203 -20.594 431 H LYS 60 HN LYS 60 2.496 -17.213 -18.975 432 HA LYS 60 HA LYS 60 2.371 -14.585 -20.304 433 HB2 LYS 60 HB2 LYS 60 4.161 -13.944 -18.724 434 HB3 LYS 60 HB1 LYS 60 2.755 -14.582 -17.886 435 HG2 LYS 60 HG2 LYS 60 3.996 -16.803 -17.711 436 HG3 LYS 60 HG1 LYS 60 5.422 -15.967 -18.330 437 HD2 LYS 60 HD2 LYS 60 5.552 -16.054 -15.900 438 HD3 LYS 60 HD1 LYS 60 5.300 -14.380 -16.397 439 HE2 LYS 60 HE2 LYS 60 2.893 -14.590 -15.854 440 HE3 LYS 60 HE1 LYS 60 3.149 -16.263 -15.353 441 HZ1 LYS 60 HZ1 LYS 60 3.104 -14.879 -13.448 442 HZ2 LYS 60 HZ2 LYS 60 4.241 -13.813 -14.099 443 HZ3 LYS 60 HZ3 LYS 60 4.712 -15.383 -13.658 444 H GLY 61 HN GLY 61 3.426 -17.500 -21.212 445 HA2 GLY 61 HA2 GLY 61 5.006 -16.535 -23.351 446 HA3 GLY 61 HA1 GLY 61 6.068 -17.202 -22.109 Start of MODEL 2 1 H1 SER 1 HT1 SER 1 9.082 6.630 -23.498 2 H2 SER 1 HT2 SER 1 8.010 5.819 -24.517 3 H3 SER 1 HT3 SER 1 9.436 5.061 -24.028 4 HA SER 1 HA SER 1 7.169 5.832 -22.308 5 HB2 SER 1 HB2 SER 1 6.975 3.298 -21.997 6 HB3 SER 1 HB1 SER 1 6.557 3.879 -23.608 7 HG SER 1 HG SER 1 8.243 2.010 -23.071 8 H HIS 2 HN HIS 2 8.114 6.690 -20.505 9 HA HIS 2 HA HIS 2 10.614 5.567 -19.429 10 HB2 HIS 2 HB2 HIS 2 10.433 8.048 -19.721 11 HB3 HIS 2 HB1 HIS 2 9.087 8.076 -18.589 12 HD2 HIS 2 HD2 HIS 2 12.983 7.386 -18.534 13 HE1 HIS 2 HE1 HIS 2 11.642 8.227 -14.607 14 HE2 HIS 2 HE2 HIS 2 13.656 8.005 -16.117 15 H MET 3 HN MET 3 10.596 4.218 -17.716 16 HA MET 3 HA MET 3 8.185 4.046 -15.991 17 HB2 MET 3 HB2 MET 3 8.701 1.616 -15.681 18 HB3 MET 3 HB1 MET 3 8.271 2.035 -17.329 19 HG2 MET 3 HG2 MET 3 11.092 1.555 -16.347 20 HG3 MET 3 HG1 MET 3 10.097 0.367 -17.193 21 HE1 MET 3 HE1 MET 3 12.077 0.014 -18.986 22 HE2 MET 3 HE2 MET 3 13.064 1.207 -18.144 23 HE3 MET 3 HE3 MET 3 12.817 1.338 -19.884 24 HA PRO 4 HA PRO 4 11.555 5.327 -13.090 25 HB2 PRO 4 HB2 PRO 4 9.953 6.758 -11.379 26 HB3 PRO 4 HB1 PRO 4 10.572 7.434 -12.893 27 HG2 PRO 4 HG2 PRO 4 7.869 6.228 -12.325 28 HG3 PRO 4 HG1 PRO 4 8.265 7.725 -13.201 29 HD2 PRO 4 HD2 PRO 4 7.681 5.393 -14.483 30 HD3 PRO 4 HD1 PRO 4 8.818 6.580 -15.159 31 H THR 5 HN THR 5 8.380 3.893 -12.343 32 HA THR 5 HA THR 5 9.581 2.362 -10.105 33 HB THR 5 HB THR 5 7.199 1.825 -9.450 34 HG1 THR 5 HG1 THR 5 6.357 2.438 -11.643 35 HG21 THR 5 HG21 THR 5 6.693 4.021 -8.438 36 HG22 THR 5 HG22 THR 5 7.871 4.793 -9.501 37 HG23 THR 5 HG23 THR 5 8.408 3.631 -8.286 38 H SER 6 HN SER 6 10.550 0.735 -11.195 39 HA SER 6 HA SER 6 9.109 -0.883 -13.174 40 HB2 SER 6 HB2 SER 6 11.966 -1.136 -12.124 41 HB3 SER 6 HB1 SER 6 11.295 -1.953 -13.542 42 HG SER 6 HG SER 6 11.745 0.822 -13.165 43 H GLU 7 HN GLU 7 7.685 -1.151 -11.013 44 HA GLU 7 HA GLU 7 8.742 -3.012 -9.046 45 HB2 GLU 7 HB2 GLU 7 7.360 -1.041 -8.374 46 HB3 GLU 7 HB1 GLU 7 5.990 -1.723 -9.241 47 HG2 GLU 7 HG2 GLU 7 6.015 -3.684 -7.707 48 HG3 GLU 7 HG1 GLU 7 7.339 -2.940 -6.807 49 H GLU 8 HN GLU 8 9.043 -4.646 -10.754 50 HA GLU 8 HA GLU 8 8.773 -6.822 -11.176 51 HB2 GLU 8 HB2 GLU 8 6.431 -6.738 -9.234 52 HB3 GLU 8 HB1 GLU 8 7.400 -8.138 -9.662 53 HG2 GLU 8 HG2 GLU 8 8.301 -5.738 -8.036 54 HG3 GLU 8 HG1 GLU 8 7.987 -7.366 -7.435 55 H ASP 9 HN ASP 9 6.986 -8.601 -11.734 56 HA ASP 9 HA ASP 9 4.921 -7.468 -13.563 57 HB2 ASP 9 HB2 ASP 9 6.252 -10.215 -13.729 58 HB3 ASP 9 HB1 ASP 9 5.116 -9.542 -14.888 59 H LEU 10 HN LEU 10 4.856 -8.104 -10.603 60 HA LEU 10 HA LEU 10 3.556 -10.682 -10.343 61 HB2 LEU 10 HB2 LEU 10 4.269 -8.648 -8.202 62 HB3 LEU 10 HB1 LEU 10 3.782 -10.314 -7.917 63 HG LEU 10 HG LEU 10 6.332 -9.457 -9.349 64 HD11 LEU 10 HD11 LEU 10 6.468 -8.901 -6.983 65 HD12 LEU 10 HD12 LEU 10 7.558 -10.225 -7.379 66 HD13 LEU 10 HD13 LEU 10 6.038 -10.559 -6.547 67 HD21 LEU 10 HD21 LEU 10 5.474 -12.250 -8.530 68 HD22 LEU 10 HD22 LEU 10 7.037 -11.806 -9.216 69 HD23 LEU 10 HD23 LEU 10 5.577 -11.629 -10.181 70 H CYS 11 HN CYS 11 1.695 -10.837 -8.798 71 HA CYS 11 HA CYS 11 -0.620 -9.568 -9.767 72 HB2 CYS 11 HB2 CYS 11 -0.666 -11.791 -8.698 73 HB3 CYS 11 HB1 CYS 11 -0.137 -11.093 -7.175 74 HA PRO 12 HA PRO 12 0.077 -5.656 -7.478 75 HB2 PRO 12 HB2 PRO 12 -2.105 -4.263 -8.347 76 HB3 PRO 12 HB1 PRO 12 -0.740 -4.626 -9.415 77 HG2 PRO 12 HG2 PRO 12 -3.361 -6.118 -9.139 78 HG3 PRO 12 HG1 PRO 12 -2.561 -5.542 -10.619 79 HD2 PRO 12 HD2 PRO 12 -2.323 -8.112 -9.806 80 HD3 PRO 12 HD1 PRO 12 -0.966 -7.262 -10.582 81 H ILE 13 HN ILE 13 -2.339 -7.892 -6.857 82 HA ILE 13 HA ILE 13 -3.651 -6.504 -4.651 83 HB ILE 13 HB ILE 13 -3.941 -9.361 -5.698 84 HG12 ILE 13 HG12 ILE 13 -5.710 -6.927 -6.299 85 HG13 ILE 13 HG11 ILE 13 -4.544 -7.619 -7.420 86 HG21 ILE 13 HG21 ILE 13 -4.764 -9.197 -3.377 87 HG22 ILE 13 HG22 ILE 13 -6.114 -9.429 -4.485 88 HG23 ILE 13 HG23 ILE 13 -5.799 -7.829 -3.813 89 HD11 ILE 13 HD11 ILE 13 -7.034 -8.964 -6.377 90 HD12 ILE 13 HD12 ILE 13 -5.871 -9.686 -7.493 91 HD13 ILE 13 HD13 ILE 13 -6.802 -8.268 -7.979 92 H CYS 14 HN CYS 14 -0.903 -8.545 -5.154 93 HA CYS 14 HA CYS 14 -0.877 -9.542 -2.364 94 HB2 CYS 14 HB2 CYS 14 -0.189 -11.089 -4.886 95 HB3 CYS 14 HB1 CYS 14 0.059 -11.687 -3.249 96 H TYR 15 HN TYR 15 1.138 -9.119 -5.239 97 HA TYR 15 HA TYR 15 3.189 -8.353 -5.666 98 HB2 TYR 15 HB2 TYR 15 3.290 -7.388 -2.782 99 HB3 TYR 15 HB1 TYR 15 4.442 -6.958 -4.035 100 HD1 TYR 15 HD2 TYR 15 3.665 -5.500 -5.986 101 HD2 TYR 15 HD1 TYR 15 1.200 -6.206 -2.563 102 HE1 TYR 15 HE2 TYR 15 2.309 -3.521 -6.537 103 HE2 TYR 15 HE1 TYR 15 -0.137 -4.236 -3.120 104 HH TYR 15 HH TYR 15 0.073 -2.171 -4.326 105 H ALA 16 HN ALA 16 2.722 -10.842 -3.408 106 HA ALA 16 HA ALA 16 5.595 -11.468 -3.225 107 HB1 ALA 16 HB1 ALA 16 4.976 -13.094 -1.509 108 HB2 ALA 16 HB2 ALA 16 3.264 -12.773 -1.788 109 HB3 ALA 16 HB3 ALA 16 4.298 -11.510 -1.122 110 H HIS 17 HN HIS 17 2.823 -12.315 -5.082 111 HA HIS 17 HA HIS 17 4.325 -14.492 -6.385 112 HB2 HIS 17 HB2 HIS 17 1.434 -14.683 -5.423 113 HB3 HIS 17 HB1 HIS 17 2.080 -15.749 -6.670 114 HD1 HIS 17 HD1 HIS 17 3.738 -17.589 -5.917 115 HD2 HIS 17 HD2 HIS 17 2.311 -15.272 -2.786 116 HE1 HIS 17 HE1 HIS 17 4.375 -18.815 -3.835 117 HE2 HIS 17 HE2 HIS 17 3.414 -17.444 -1.959 118 HA PRO 18 HA PRO 18 3.282 -12.300 -10.091 119 HB2 PRO 18 HB2 PRO 18 3.357 -14.268 -12.000 120 HB3 PRO 18 HB1 PRO 18 4.806 -13.677 -11.175 121 HG2 PRO 18 HG2 PRO 18 3.137 -16.112 -10.542 122 HG3 PRO 18 HG1 PRO 18 4.905 -15.983 -10.706 123 HD2 PRO 18 HD2 PRO 18 3.723 -15.973 -8.281 124 HD3 PRO 18 HD1 PRO 18 5.154 -14.970 -8.609 125 H ILE 19 HN ILE 19 1.839 -12.184 -11.982 126 HA ILE 19 HA ILE 19 -0.923 -12.839 -11.527 127 HB ILE 19 HB ILE 19 0.510 -11.952 -14.081 128 HG12 ILE 19 HG12 ILE 19 -1.048 -10.176 -12.129 129 HG13 ILE 19 HG11 ILE 19 0.704 -10.315 -12.131 130 HG21 ILE 19 HG21 ILE 19 -1.717 -11.244 -14.914 131 HG22 ILE 19 HG22 ILE 19 -2.475 -11.907 -13.463 132 HG23 ILE 19 HG23 ILE 19 -1.663 -12.979 -14.606 133 HD11 ILE 19 HD11 ILE 19 0.820 -9.338 -14.343 134 HD12 ILE 19 HD12 ILE 19 -0.109 -8.294 -13.264 135 HD13 ILE 19 HD13 ILE 19 -0.947 -9.298 -14.450 136 H SER 20 HN SER 20 -1.928 -14.736 -12.122 137 HA SER 20 HA SER 20 -0.663 -16.634 -13.965 138 HB2 SER 20 HB2 SER 20 -0.913 -18.463 -12.243 139 HB3 SER 20 HB1 SER 20 0.285 -17.247 -11.816 140 HG SER 20 HG SER 20 -1.047 -17.760 -10.059 141 H ALA 21 HN ALA 21 -3.222 -14.931 -13.633 142 HA ALA 21 HA ALA 21 -5.102 -16.880 -14.665 143 HB1 ALA 21 HB1 ALA 21 -5.743 -15.408 -12.070 144 HB2 ALA 21 HB2 ALA 21 -5.448 -17.140 -12.225 145 HB3 ALA 21 HB3 ALA 21 -6.864 -16.418 -12.986 146 H VAL 22 HN VAL 22 -6.804 -15.914 -15.820 147 HA VAL 22 HA VAL 22 -7.086 -12.986 -15.815 148 HB VAL 22 HB VAL 22 -5.508 -13.399 -17.644 149 HG11 VAL 22 HG11 VAL 22 -5.993 -15.746 -18.154 150 HG12 VAL 22 HG12 VAL 22 -6.035 -14.769 -19.620 151 HG13 VAL 22 HG13 VAL 22 -7.543 -15.296 -18.870 152 HG21 VAL 22 HG21 VAL 22 -7.114 -11.590 -17.985 153 HG22 VAL 22 HG22 VAL 22 -8.267 -12.702 -18.729 154 HG23 VAL 22 HG23 VAL 22 -6.730 -12.351 -19.529 155 H PHE 23 HN PHE 23 -9.174 -12.417 -15.808 156 HA PHE 23 HA PHE 23 -11.188 -14.514 -15.637 157 HB2 PHE 23 HB2 PHE 23 -11.656 -11.554 -15.099 158 HB3 PHE 23 HB1 PHE 23 -12.549 -12.925 -14.471 159 HD1 PHE 23 HD1 PHE 23 -10.691 -14.710 -13.280 160 HD2 PHE 23 HD2 PHE 23 -10.493 -10.437 -13.396 161 HE1 PHE 23 HE1 PHE 23 -9.283 -14.711 -11.269 162 HE2 PHE 23 HE2 PHE 23 -9.091 -10.453 -11.381 163 HZ PHE 23 HZ PHE 23 -8.479 -12.590 -10.319 164 H GLN 24 HN GLN 24 -12.027 -15.100 -17.507 165 HA GLN 24 HA GLN 24 -12.451 -13.169 -19.685 166 HB2 GLN 24 HB2 GLN 24 -11.176 -15.630 -19.691 167 HB3 GLN 24 HB1 GLN 24 -12.785 -16.099 -20.208 168 HG2 GLN 24 HG2 GLN 24 -11.465 -15.728 -22.168 169 HG3 GLN 24 HG1 GLN 24 -12.620 -14.402 -22.055 170 HE21 GLN 24 HE21 GLN 24 -10.066 -14.541 -23.485 171 HE22 GLN 24 HE22 GLN 24 -9.086 -13.262 -22.870 172 HA PRO 25 HA PRO 25 -13.588 -12.780 -21.372 173 HB2 PRO 25 HB2 PRO 25 -15.747 -11.861 -22.736 174 HB3 PRO 25 HB1 PRO 25 -15.242 -13.551 -22.812 175 HG2 PRO 25 HG2 PRO 25 -17.607 -12.375 -21.477 176 HG3 PRO 25 HG1 PRO 25 -17.320 -14.051 -21.979 177 HD2 PRO 25 HD2 PRO 25 -16.951 -12.849 -19.332 178 HD3 PRO 25 HD1 PRO 25 -16.867 -14.555 -19.789 179 H CYS 26 HN CYS 26 -12.772 -11.320 -19.717 180 HA CYS 26 HA CYS 26 -13.904 -8.631 -20.093 181 HB2 CYS 26 HB2 CYS 26 -14.719 -9.293 -17.889 182 HB3 CYS 26 HB1 CYS 26 -13.080 -9.709 -17.383 183 H GLY 27 HN GLY 27 -11.080 -10.549 -19.031 184 HA2 GLY 27 HA2 GLY 27 -8.956 -10.288 -20.057 185 HA3 GLY 27 HA1 GLY 27 -9.318 -8.607 -20.401 186 H HIS 28 HN HIS 28 -10.293 -8.502 -17.385 187 HA HIS 28 HA HIS 28 -7.956 -7.462 -16.204 188 HB2 HIS 28 HB2 HIS 28 -10.603 -8.347 -15.025 189 HB3 HIS 28 HB1 HIS 28 -9.284 -7.931 -13.938 190 HD2 HIS 28 HD2 HIS 28 -8.191 -5.222 -15.301 191 HE1 HIS 28 HE1 HIS 28 -12.177 -3.925 -14.834 192 HE2 HIS 28 HE2 HIS 28 -9.826 -3.223 -15.417 193 H LYS 29 HN LYS 29 -6.369 -8.328 -14.946 194 HA LYS 29 HA LYS 29 -6.205 -11.282 -14.801 195 HB2 LYS 29 HB2 LYS 29 -3.962 -9.273 -15.284 196 HB3 LYS 29 HB1 LYS 29 -3.761 -11.017 -15.138 197 HG2 LYS 29 HG2 LYS 29 -5.112 -11.348 -17.173 198 HG3 LYS 29 HG1 LYS 29 -5.316 -9.602 -17.318 199 HD2 LYS 29 HD2 LYS 29 -2.819 -9.399 -17.516 200 HD3 LYS 29 HD1 LYS 29 -2.728 -11.162 -17.539 201 HE2 LYS 29 HE2 LYS 29 -3.996 -11.251 -19.610 202 HE3 LYS 29 HE1 LYS 29 -4.275 -9.507 -19.561 203 HZ1 LYS 29 HZ1 LYS 29 -2.506 -10.064 -21.074 204 HZ2 LYS 29 HZ2 LYS 29 -1.647 -10.836 -19.838 205 HZ3 LYS 29 HZ3 LYS 29 -1.902 -9.167 -19.769 206 H SER 30 HN SER 30 -4.774 -12.100 -13.187 207 HA SER 30 HA SER 30 -3.832 -10.758 -10.896 208 HB2 SER 30 HB2 SER 30 -6.251 -10.387 -10.429 209 HB3 SER 30 HB1 SER 30 -6.559 -12.115 -10.569 210 HG SER 30 HG SER 30 -6.379 -11.596 -8.430 211 H CYS 31 HN CYS 31 -3.720 -12.673 -9.010 212 HA CYS 31 HA CYS 31 -2.556 -15.026 -10.322 213 HB2 CYS 31 HB2 CYS 31 -1.577 -15.564 -8.197 214 HB3 CYS 31 HB1 CYS 31 -1.373 -13.827 -8.402 215 H LYS 32 HN LYS 32 -3.277 -17.204 -9.776 216 HA LYS 32 HA LYS 32 -6.094 -17.473 -9.713 217 HB2 LYS 32 HB2 LYS 32 -5.685 -19.946 -9.644 218 HB3 LYS 32 HB1 LYS 32 -4.874 -19.098 -10.942 219 HG2 LYS 32 HG2 LYS 32 -3.276 -20.651 -10.253 220 HG3 LYS 32 HG1 LYS 32 -2.761 -19.172 -9.447 221 HD2 LYS 32 HD2 LYS 32 -3.711 -19.948 -7.331 222 HD3 LYS 32 HD1 LYS 32 -4.383 -21.380 -8.112 223 HE2 LYS 32 HE2 LYS 32 -1.425 -20.738 -7.860 224 HE3 LYS 32 HE1 LYS 32 -2.305 -21.861 -6.828 225 HZ1 LYS 32 HZ1 LYS 32 -1.054 -22.948 -8.586 226 HZ2 LYS 32 HZ2 LYS 32 -1.969 -22.142 -9.754 227 HZ3 LYS 32 HZ3 LYS 32 -2.715 -23.250 -8.723 228 H ALA 33 HN ALA 33 -3.753 -17.498 -7.149 229 HA ALA 33 HA ALA 33 -5.190 -18.647 -5.039 230 HB1 ALA 33 HB1 ALA 33 -2.815 -18.029 -4.838 231 HB2 ALA 33 HB2 ALA 33 -3.758 -17.331 -3.524 232 HB3 ALA 33 HB3 ALA 33 -3.242 -16.317 -4.874 233 H CYS 34 HN CYS 34 -5.227 -15.344 -6.297 234 HA CYS 34 HA CYS 34 -6.871 -14.060 -4.444 235 HB2 CYS 34 HB2 CYS 34 -6.139 -13.504 -7.304 236 HB3 CYS 34 HB1 CYS 34 -7.542 -12.663 -6.673 237 H ILE 35 HN ILE 35 -7.812 -15.643 -7.521 238 HA ILE 35 HA ILE 35 -10.560 -14.941 -7.204 239 HB ILE 35 HB ILE 35 -9.678 -15.129 -9.451 240 HG12 ILE 35 HG12 ILE 35 -11.461 -16.552 -10.515 241 HG13 ILE 35 HG11 ILE 35 -11.818 -17.262 -8.945 242 HG21 ILE 35 HG21 ILE 35 -7.981 -16.831 -9.180 243 HG22 ILE 35 HG22 ILE 35 -9.058 -17.276 -10.504 244 HG23 ILE 35 HG23 ILE 35 -9.212 -18.080 -8.940 245 HD11 ILE 35 HD11 ILE 35 -12.160 -14.355 -9.696 246 HD12 ILE 35 HD12 ILE 35 -12.538 -15.068 -8.124 247 HD13 ILE 35 HD13 ILE 35 -13.437 -15.560 -9.557 248 H ASN 36 HN ASN 36 -8.708 -17.927 -6.609 249 HA ASN 36 HA ASN 36 -10.891 -19.595 -5.935 250 HB2 ASN 36 HB2 ASN 36 -7.991 -19.723 -5.009 251 HB3 ASN 36 HB1 ASN 36 -9.172 -21.000 -4.733 252 HD21 ASN 36 HD21 ASN 36 -6.659 -21.116 -6.206 253 HD22 ASN 36 HD22 ASN 36 -7.058 -21.635 -7.806 254 H GLN 37 HN GLN 37 -8.959 -17.337 -3.991 255 HA GLN 37 HA GLN 37 -10.206 -17.864 -1.467 256 HB2 GLN 37 HB2 GLN 37 -7.976 -16.776 -1.720 257 HB3 GLN 37 HB1 GLN 37 -8.751 -15.365 -2.430 258 HG2 GLN 37 HG2 GLN 37 -9.924 -14.925 -0.316 259 HG3 GLN 37 HG1 GLN 37 -9.206 -16.368 0.400 260 HE21 GLN 37 HE21 GLN 37 -8.188 -15.221 2.041 261 HE22 GLN 37 HE22 GLN 37 -6.834 -14.184 1.757 262 H HIS 38 HN HIS 38 -10.892 -15.717 -4.160 263 HA HIS 38 HA HIS 38 -12.885 -14.079 -2.930 264 HB2 HIS 38 HB2 HIS 38 -11.590 -13.419 -4.976 265 HB3 HIS 38 HB1 HIS 38 -12.441 -14.650 -5.896 266 HD2 HIS 38 HD2 HIS 38 -15.174 -14.032 -6.453 267 HE1 HIS 38 HE1 HIS 38 -14.793 -9.972 -5.339 268 HE2 HIS 38 HE2 HIS 38 -16.353 -11.730 -6.270 269 H LEU 39 HN LEU 39 -12.894 -17.135 -4.684 270 HA LEU 39 HA LEU 39 -15.723 -17.342 -5.071 271 HB2 LEU 39 HB2 LEU 39 -13.489 -19.386 -5.284 272 HB3 LEU 39 HB1 LEU 39 -15.165 -19.749 -5.678 273 HG LEU 39 HG LEU 39 -13.485 -17.629 -7.083 274 HD11 LEU 39 HD11 LEU 39 -12.605 -19.847 -7.592 275 HD12 LEU 39 HD12 LEU 39 -13.374 -19.134 -9.007 276 HD13 LEU 39 HD13 LEU 39 -14.211 -20.390 -8.090 277 HD21 LEU 39 HD21 LEU 39 -15.874 -17.086 -7.131 278 HD22 LEU 39 HD22 LEU 39 -16.243 -18.681 -7.791 279 HD23 LEU 39 HD23 LEU 39 -15.298 -17.527 -8.735 280 H MET 40 HN MET 40 -13.783 -17.724 -2.329 281 HA MET 40 HA MET 40 -15.508 -19.530 -0.858 282 HB2 MET 40 HB2 MET 40 -13.380 -17.572 0.135 283 HB3 MET 40 HB1 MET 40 -14.181 -18.787 1.130 284 HG2 MET 40 HG2 MET 40 -12.376 -19.330 -1.236 285 HG3 MET 40 HG1 MET 40 -11.952 -19.529 0.466 286 HE1 MET 40 HE1 MET 40 -14.750 -20.809 1.609 287 HE2 MET 40 HE2 MET 40 -13.145 -21.378 2.072 288 HE3 MET 40 HE3 MET 40 -14.350 -22.525 1.493 289 H ASN 41 HN ASN 41 -15.639 -16.240 -1.773 290 HA ASN 41 HA ASN 41 -17.706 -15.592 0.256 291 HB2 ASN 41 HB2 ASN 41 -15.879 -13.658 -1.246 292 HB3 ASN 41 HB1 ASN 41 -17.065 -13.209 -0.026 293 HD21 ASN 41 HD21 ASN 41 -14.211 -12.691 -0.062 294 HD22 ASN 41 HD22 ASN 41 -13.555 -13.396 1.373 295 H ASN 42 HN ASN 42 -16.741 -14.270 -2.934 296 HA ASN 42 HA ASN 42 -19.513 -14.494 -3.954 297 HB2 ASN 42 HB2 ASN 42 -17.612 -12.120 -4.183 298 HB3 ASN 42 HB1 ASN 42 -19.127 -12.248 -5.067 299 HD21 ASN 42 HD21 ASN 42 -20.636 -13.385 -2.812 300 HD22 ASN 42 HD22 ASN 42 -20.877 -12.085 -1.703 301 H LYS 43 HN LYS 43 -19.091 -13.540 -6.520 302 HA LYS 43 HA LYS 43 -16.869 -15.052 -7.713 303 HB2 LYS 43 HB2 LYS 43 -18.818 -16.603 -7.612 304 HB3 LYS 43 HB1 LYS 43 -19.779 -15.455 -8.540 305 HG2 LYS 43 HG2 LYS 43 -18.294 -15.735 -10.474 306 HG3 LYS 43 HG1 LYS 43 -17.240 -16.796 -9.533 307 HD2 LYS 43 HD2 LYS 43 -19.132 -18.403 -9.288 308 HD3 LYS 43 HD1 LYS 43 -20.119 -17.360 -10.315 309 HE2 LYS 43 HE2 LYS 43 -18.557 -17.705 -12.186 310 HE3 LYS 43 HE1 LYS 43 -17.520 -18.697 -11.161 311 HZ1 LYS 43 HZ1 LYS 43 -19.302 -20.282 -10.950 312 HZ2 LYS 43 HZ2 LYS 43 -18.934 -20.020 -12.578 313 HZ3 LYS 43 HZ3 LYS 43 -20.316 -19.320 -11.904 314 H ASP 44 HN ASP 44 -16.012 -12.981 -8.122 315 HA ASP 44 HA ASP 44 -17.251 -11.434 -10.315 316 HB2 ASP 44 HB2 ASP 44 -16.069 -10.187 -7.791 317 HB3 ASP 44 HB1 ASP 44 -16.692 -9.297 -9.175 318 H CYS 45 HN CYS 45 -15.771 -9.873 -11.211 319 HA CYS 45 HA CYS 45 -13.080 -10.947 -11.676 320 HB2 CYS 45 HB2 CYS 45 -14.534 -10.494 -13.587 321 HB3 CYS 45 HB1 CYS 45 -14.773 -8.841 -13.069 322 H PHE 46 HN PHE 46 -13.846 -9.491 -9.200 323 HA PHE 46 HA PHE 46 -12.882 -8.239 -7.651 324 HB2 PHE 46 HB2 PHE 46 -10.558 -8.374 -9.610 325 HB3 PHE 46 HB1 PHE 46 -10.416 -7.553 -8.060 326 HD1 PHE 46 HD2 PHE 46 -11.492 -10.872 -9.483 327 HD2 PHE 46 HD1 PHE 46 -9.665 -8.782 -6.229 328 HE1 PHE 46 HE2 PHE 46 -10.989 -13.001 -8.381 329 HE2 PHE 46 HE1 PHE 46 -9.176 -10.920 -5.144 330 HZ PHE 46 HZ PHE 46 -9.846 -13.019 -6.214 331 H PHE 47 HN PHE 47 -11.389 -6.542 -10.381 332 HA PHE 47 HA PHE 47 -11.534 -4.045 -9.084 333 HB2 PHE 47 HB2 PHE 47 -10.959 -4.576 -12.030 334 HB3 PHE 47 HB1 PHE 47 -10.439 -3.179 -11.091 335 HD1 PHE 47 HD1 PHE 47 -8.908 -3.709 -8.989 336 HD2 PHE 47 HD2 PHE 47 -9.449 -6.412 -12.268 337 HE1 PHE 47 HE1 PHE 47 -6.833 -4.887 -8.372 338 HE2 PHE 47 HE2 PHE 47 -7.365 -7.572 -11.644 339 HZ PHE 47 HZ PHE 47 -6.059 -6.814 -9.695 340 H CYS 48 HN CYS 48 -13.234 -5.298 -11.956 341 HA CYS 48 HA CYS 48 -15.048 -2.980 -12.041 342 HB2 CYS 48 HB2 CYS 48 -15.687 -3.810 -14.236 343 HB3 CYS 48 HB1 CYS 48 -13.928 -3.901 -14.125 344 H LYS 49 HN LYS 49 -14.982 -6.072 -10.647 345 HA LYS 49 HA LYS 49 -16.407 -7.553 -9.759 346 HB2 LYS 49 HB2 LYS 49 -18.268 -5.136 -9.636 347 HB3 LYS 49 HB1 LYS 49 -18.680 -6.686 -8.920 348 HG2 LYS 49 HG2 LYS 49 -17.895 -5.460 -7.101 349 HG3 LYS 49 HG1 LYS 49 -16.510 -6.443 -7.554 350 HD2 LYS 49 HD2 LYS 49 -15.604 -4.305 -7.088 351 HD3 LYS 49 HD1 LYS 49 -15.656 -4.381 -8.847 352 HE2 LYS 49 HE2 LYS 49 -17.737 -2.979 -7.122 353 HE3 LYS 49 HE1 LYS 49 -16.385 -2.173 -7.909 354 HZ1 LYS 49 HZ1 LYS 49 -18.364 -1.914 -9.201 355 HZ2 LYS 49 HZ2 LYS 49 -18.622 -3.579 -9.256 356 HZ3 LYS 49 HZ3 LYS 49 -17.291 -2.903 -10.053 357 H THR 50 HN THR 50 -16.457 -7.268 -12.765 358 HA THR 50 HA THR 50 -18.959 -8.164 -13.743 359 HB THR 50 HB THR 50 -16.120 -8.742 -14.724 360 HG1 THR 50 HG1 THR 50 -18.083 -6.865 -15.576 361 HG21 THR 50 HG21 THR 50 -17.674 -10.447 -15.656 362 HG22 THR 50 HG22 THR 50 -17.090 -9.341 -16.902 363 HG23 THR 50 HG23 THR 50 -18.723 -9.158 -16.253 364 H THR 51 HN THR 51 -20.008 -9.992 -13.146 365 HA THR 51 HA THR 51 -19.052 -12.009 -11.485 366 HB THR 51 HB THR 51 -21.373 -12.138 -13.456 367 HG1 THR 51 HG1 THR 51 -20.996 -10.960 -10.972 368 HG21 THR 51 HG21 THR 51 -20.757 -14.427 -12.718 369 HG22 THR 51 HG22 THR 51 -22.292 -13.942 -12.000 370 HG23 THR 51 HG23 THR 51 -20.817 -13.912 -11.033 371 H ILE 52 HN ILE 52 -17.928 -13.872 -11.813 372 HA ILE 52 HA ILE 52 -16.383 -14.165 -14.166 373 HB ILE 52 HB ILE 52 -16.770 -16.139 -11.884 374 HG12 ILE 52 HG12 ILE 52 -15.835 -13.932 -11.159 375 HG13 ILE 52 HG11 ILE 52 -14.677 -15.240 -10.957 376 HG21 ILE 52 HG21 ILE 52 -14.634 -17.173 -12.610 377 HG22 ILE 52 HG22 ILE 52 -14.602 -16.109 -14.022 378 HG23 ILE 52 HG23 ILE 52 -15.884 -17.316 -13.847 379 HD11 ILE 52 HD11 ILE 52 -14.675 -13.223 -13.211 380 HD12 ILE 52 HD12 ILE 52 -13.510 -14.533 -12.998 381 HD13 ILE 52 HD13 ILE 52 -13.601 -13.234 -11.813 382 H VAL 53 HN VAL 53 -16.883 -15.092 -16.040 383 HA VAL 53 HA VAL 53 -18.931 -17.206 -16.253 384 HB VAL 53 HB VAL 53 -17.370 -15.755 -18.450 385 HG11 VAL 53 HG11 VAL 53 -19.023 -16.711 -20.024 386 HG12 VAL 53 HG12 VAL 53 -19.766 -17.618 -18.704 387 HG13 VAL 53 HG13 VAL 53 -18.111 -17.976 -19.201 388 HG21 VAL 53 HG21 VAL 53 -18.874 -14.217 -17.249 389 HG22 VAL 53 HG22 VAL 53 -20.236 -15.306 -17.523 390 HG23 VAL 53 HG23 VAL 53 -19.455 -14.507 -18.889 391 H SER 54 HN SER 54 -15.497 -16.516 -16.910 392 HA SER 54 HA SER 54 -14.716 -19.248 -16.318 393 HB2 SER 54 HB2 SER 54 -15.208 -19.290 -18.779 394 HB3 SER 54 HB1 SER 54 -14.018 -18.014 -19.026 395 HG SER 54 HG SER 54 -13.590 -20.593 -19.007 396 H VAL 55 HN VAL 55 -12.525 -19.414 -15.701 397 HA VAL 55 HA VAL 55 -10.823 -16.985 -15.832 398 HB VAL 55 HB VAL 55 -10.667 -19.129 -13.651 399 HG11 VAL 55 HG11 VAL 55 -9.107 -17.572 -12.522 400 HG12 VAL 55 HG12 VAL 55 -9.238 -16.450 -13.879 401 HG13 VAL 55 HG13 VAL 55 -8.509 -18.038 -14.116 402 HG21 VAL 55 HG21 VAL 55 -12.739 -17.838 -13.336 403 HG22 VAL 55 HG22 VAL 55 -11.833 -16.326 -13.395 404 HG23 VAL 55 HG23 VAL 55 -11.572 -17.461 -12.068 405 H GLU 56 HN GLU 56 -9.100 -17.323 -17.108 406 HA GLU 56 HA GLU 56 -8.378 -20.041 -17.946 407 HB2 GLU 56 HB2 GLU 56 -7.294 -17.398 -18.994 408 HB3 GLU 56 HB1 GLU 56 -7.092 -18.988 -19.720 409 HG2 GLU 56 HG2 GLU 56 -9.607 -19.049 -20.059 410 HG3 GLU 56 HG1 GLU 56 -9.651 -17.362 -19.540 411 H ASP 57 HN ASP 57 -6.298 -20.851 -17.806 412 HA ASP 57 HA ASP 57 -4.580 -20.001 -15.651 413 HB2 ASP 57 HB2 ASP 57 -4.862 -22.387 -16.157 414 HB3 ASP 57 HB1 ASP 57 -4.297 -22.152 -17.806 415 H TRP 58 HN TRP 58 -3.744 -17.982 -16.097 416 HA TRP 58 HA TRP 58 -2.655 -17.346 -18.720 417 HB2 TRP 58 HB2 TRP 58 -3.965 -15.668 -17.321 418 HB3 TRP 58 HB1 TRP 58 -2.593 -15.602 -16.217 419 HD1 TRP 58 HD1 TRP 58 -3.587 -14.654 -19.818 420 HE1 TRP 58 HE1 TRP 58 -1.950 -12.892 -20.706 421 HE3 TRP 58 HE3 TRP 58 -0.247 -14.606 -15.937 422 HZ2 TRP 58 HZ2 TRP 58 0.439 -11.648 -19.892 423 HZ3 TRP 58 HZ3 TRP 58 1.690 -13.093 -16.067 424 HH2 TRP 58 HH2 TRP 58 2.027 -11.640 -18.009 425 H GLU 59 HN GLU 59 -0.661 -17.905 -19.238 426 HA GLU 59 HA GLU 59 1.479 -18.142 -17.206 427 HB2 GLU 59 HB2 GLU 59 1.116 -19.479 -19.920 428 HB3 GLU 59 HB1 GLU 59 2.600 -19.598 -18.980 429 HG2 GLU 59 HG2 GLU 59 -0.098 -20.510 -17.933 430 HG3 GLU 59 HG1 GLU 59 0.989 -21.563 -18.830 431 H LYS 60 HN LYS 60 3.057 -16.652 -17.300 432 HA LYS 60 HA LYS 60 3.307 -14.834 -19.556 433 HB2 LYS 60 HB2 LYS 60 3.463 -14.077 -17.137 434 HB3 LYS 60 HB1 LYS 60 4.990 -14.948 -17.018 435 HG2 LYS 60 HG2 LYS 60 6.000 -13.495 -18.705 436 HG3 LYS 60 HG1 LYS 60 4.455 -12.690 -18.983 437 HD2 LYS 60 HD2 LYS 60 5.822 -11.241 -17.600 438 HD3 LYS 60 HD1 LYS 60 4.506 -11.864 -16.603 439 HE2 LYS 60 HE2 LYS 60 6.611 -11.898 -15.352 440 HE3 LYS 60 HE1 LYS 60 6.055 -13.549 -15.638 441 HZ1 LYS 60 HZ1 LYS 60 8.110 -12.156 -17.267 442 HZ2 LYS 60 HZ2 LYS 60 7.645 -13.778 -17.405 443 HZ3 LYS 60 HZ3 LYS 60 8.443 -13.239 -16.014 444 H GLY 61 HN GLY 61 4.851 -15.012 -21.120 445 HA2 GLY 61 HA2 GLY 61 7.225 -16.682 -20.802 446 HA3 GLY 61 HA1 GLY 61 6.023 -17.266 -21.954 Start of MODEL 3 1 H1 SER 1 HT1 SER 1 12.249 0.661 3.155 2 H2 SER 1 HT2 SER 1 13.337 0.071 2.006 3 H3 SER 1 HT3 SER 1 12.825 -0.921 3.268 4 HA SER 1 HA SER 1 11.103 0.160 1.139 5 HB2 SER 1 HB2 SER 1 12.129 -2.693 1.550 6 HB3 SER 1 HB1 SER 1 11.020 -2.171 0.274 7 HG SER 1 HG SER 1 12.635 -1.327 -0.791 8 H HIS 2 HN HIS 2 8.964 0.049 1.567 9 HA HIS 2 HA HIS 2 7.853 -0.820 4.022 10 HB2 HIS 2 HB2 HIS 2 6.761 0.920 2.711 11 HB3 HIS 2 HB1 HIS 2 6.572 -0.159 1.334 12 HD2 HIS 2 HD2 HIS 2 5.029 0.319 4.934 13 HE1 HIS 2 HE1 HIS 2 2.380 -1.950 2.545 14 HE2 HIS 2 HE2 HIS 2 2.767 -0.931 4.825 15 H MET 3 HN MET 3 7.456 -2.161 0.722 16 HA MET 3 HA MET 3 7.140 -4.874 1.857 17 HB2 MET 3 HB2 MET 3 5.517 -5.429 0.126 18 HB3 MET 3 HB1 MET 3 4.967 -3.987 0.965 19 HG2 MET 3 HG2 MET 3 5.787 -2.596 -0.916 20 HG3 MET 3 HG1 MET 3 6.297 -4.058 -1.756 21 HE1 MET 3 HE1 MET 3 1.874 -2.978 -0.907 22 HE2 MET 3 HE2 MET 3 3.228 -1.928 -0.491 23 HE3 MET 3 HE3 MET 3 2.986 -3.446 0.380 24 HA PRO 4 HA PRO 4 10.421 -5.816 -1.158 25 HB2 PRO 4 HB2 PRO 4 10.585 -8.504 -0.830 26 HB3 PRO 4 HB1 PRO 4 11.120 -7.391 0.437 27 HG2 PRO 4 HG2 PRO 4 8.545 -8.938 0.241 28 HG3 PRO 4 HG1 PRO 4 9.586 -8.668 1.656 29 HD2 PRO 4 HD2 PRO 4 7.288 -7.201 1.108 30 HD3 PRO 4 HD1 PRO 4 8.628 -6.612 2.113 31 H THR 5 HN THR 5 10.139 -5.862 -3.311 32 HA THR 5 HA THR 5 7.857 -7.049 -4.646 33 HB THR 5 HB THR 5 9.064 -6.301 -6.743 34 HG1 THR 5 HG1 THR 5 10.933 -4.814 -5.344 35 HG21 THR 5 HG21 THR 5 8.849 -4.154 -4.595 36 HG22 THR 5 HG22 THR 5 7.523 -4.731 -5.606 37 HG23 THR 5 HG23 THR 5 8.879 -3.875 -6.339 38 H SER 6 HN SER 6 8.018 -8.797 -6.193 39 HA SER 6 HA SER 6 10.412 -10.412 -6.415 40 HB2 SER 6 HB2 SER 6 9.430 -11.151 -4.209 41 HB3 SER 6 HB1 SER 6 7.960 -11.627 -5.049 42 HG SER 6 HG SER 6 9.254 -13.102 -6.258 43 H GLU 7 HN GLU 7 10.423 -11.024 -8.464 44 HA GLU 7 HA GLU 7 9.900 -11.449 -10.600 45 HB2 GLU 7 HB2 GLU 7 7.200 -12.289 -9.477 46 HB3 GLU 7 HB1 GLU 7 7.571 -12.380 -11.192 47 HG2 GLU 7 HG2 GLU 7 7.830 -14.563 -10.287 48 HG3 GLU 7 HG1 GLU 7 9.447 -13.957 -10.638 49 H GLU 8 HN GLU 8 8.227 -10.832 -12.401 50 HA GLU 8 HA GLU 8 6.896 -8.238 -11.911 51 HB2 GLU 8 HB2 GLU 8 8.659 -8.967 -14.288 52 HB3 GLU 8 HB1 GLU 8 7.606 -7.552 -14.255 53 HG2 GLU 8 HG2 GLU 8 8.854 -6.669 -12.304 54 HG3 GLU 8 HG1 GLU 8 9.904 -8.081 -12.338 55 H ASP 9 HN ASP 9 5.494 -7.818 -14.139 56 HA ASP 9 HA ASP 9 3.290 -8.142 -14.573 57 HB2 ASP 9 HB2 ASP 9 4.252 -10.993 -15.100 58 HB3 ASP 9 HB1 ASP 9 2.594 -10.475 -15.404 59 H LEU 10 HN LEU 10 3.484 -7.696 -12.169 60 HA LEU 10 HA LEU 10 3.140 -9.779 -10.266 61 HB2 LEU 10 HB2 LEU 10 2.854 -6.763 -10.029 62 HB3 LEU 10 HB1 LEU 10 2.775 -7.857 -8.656 63 HG LEU 10 HG LEU 10 5.197 -7.571 -10.476 64 HD11 LEU 10 HD11 LEU 10 4.770 -6.429 -7.693 65 HD12 LEU 10 HD12 LEU 10 4.871 -5.504 -9.191 66 HD13 LEU 10 HD13 LEU 10 6.283 -6.380 -8.605 67 HD21 LEU 10 HD21 LEU 10 6.368 -8.901 -8.748 68 HD22 LEU 10 HD22 LEU 10 5.046 -9.806 -9.478 69 HD23 LEU 10 HD23 LEU 10 4.848 -9.103 -7.872 70 H CYS 11 HN CYS 11 1.392 -10.491 -9.216 71 HA CYS 11 HA CYS 11 -1.257 -10.195 -10.081 72 HB2 CYS 11 HB2 CYS 11 -0.482 -12.123 -8.732 73 HB3 CYS 11 HB1 CYS 11 -0.162 -11.059 -7.370 74 HA PRO 12 HA PRO 12 -1.529 -5.912 -8.602 75 HB2 PRO 12 HB2 PRO 12 -4.259 -5.530 -9.045 76 HB3 PRO 12 HB1 PRO 12 -3.009 -5.416 -10.292 77 HG2 PRO 12 HG2 PRO 12 -4.786 -7.756 -9.606 78 HG3 PRO 12 HG1 PRO 12 -4.374 -7.095 -11.205 79 HD2 PRO 12 HD2 PRO 12 -3.151 -9.293 -10.279 80 HD3 PRO 12 HD1 PRO 12 -2.234 -8.071 -11.191 81 H ILE 13 HN ILE 13 -3.414 -8.507 -7.234 82 HA ILE 13 HA ILE 13 -4.348 -7.048 -4.924 83 HB ILE 13 HB ILE 13 -4.314 -10.047 -5.508 84 HG12 ILE 13 HG12 ILE 13 -6.908 -9.641 -5.628 85 HG13 ILE 13 HG11 ILE 13 -6.513 -7.938 -5.801 86 HG21 ILE 13 HG21 ILE 13 -5.875 -10.300 -3.587 87 HG22 ILE 13 HG22 ILE 13 -5.654 -8.593 -3.192 88 HG23 ILE 13 HG23 ILE 13 -4.291 -9.710 -3.089 89 HD11 ILE 13 HD11 ILE 13 -5.718 -10.164 -7.670 90 HD12 ILE 13 HD12 ILE 13 -5.279 -8.465 -7.868 91 HD13 ILE 13 HD13 ILE 13 -6.973 -8.956 -7.939 92 H CYS 14 HN CYS 14 -1.772 -9.449 -5.599 93 HA CYS 14 HA CYS 14 -1.016 -9.698 -2.819 94 HB2 CYS 14 HB2 CYS 14 0.068 -10.960 -5.356 95 HB3 CYS 14 HB1 CYS 14 0.781 -11.258 -3.773 96 H TYR 15 HN TYR 15 0.481 -8.396 -5.751 97 HA TYR 15 HA TYR 15 2.133 -6.966 -6.225 98 HB2 TYR 15 HB2 TYR 15 2.322 -6.346 -3.249 99 HB3 TYR 15 HB1 TYR 15 3.147 -5.450 -4.524 100 HD1 TYR 15 HD1 TYR 15 1.605 -4.353 -6.364 101 HD2 TYR 15 HD2 TYR 15 0.166 -5.624 -2.543 102 HE1 TYR 15 HE1 TYR 15 -0.334 -2.860 -6.591 103 HE2 TYR 15 HE2 TYR 15 -1.766 -4.136 -2.777 104 HH TYR 15 HH TYR 15 -2.370 -2.071 -4.017 105 H ALA 16 HN ALA 16 2.855 -9.218 -3.577 106 HA ALA 16 HA ALA 16 5.731 -9.147 -4.078 107 HB1 ALA 16 HB1 ALA 16 4.129 -10.710 -2.033 108 HB2 ALA 16 HB2 ALA 16 4.886 -9.140 -1.765 109 HB3 ALA 16 HB3 ALA 16 5.889 -10.559 -2.077 110 H HIS 17 HN HIS 17 3.245 -10.791 -5.563 111 HA HIS 17 HA HIS 17 5.054 -12.858 -6.600 112 HB2 HIS 17 HB2 HIS 17 2.324 -13.529 -5.370 113 HB3 HIS 17 HB1 HIS 17 3.232 -14.634 -6.392 114 HD1 HIS 17 HD1 HIS 17 5.316 -15.780 -5.337 115 HD2 HIS 17 HD2 HIS 17 3.227 -13.346 -2.692 116 HE1 HIS 17 HE1 HIS 17 6.167 -16.369 -3.055 117 HE2 HIS 17 HE2 HIS 17 4.847 -14.933 -1.475 118 HA PRO 18 HA PRO 18 3.088 -11.535 -10.365 119 HB2 PRO 18 HB2 PRO 18 3.683 -13.516 -12.097 120 HB3 PRO 18 HB1 PRO 18 4.957 -12.553 -11.334 121 HG2 PRO 18 HG2 PRO 18 3.918 -15.272 -10.524 122 HG3 PRO 18 HG1 PRO 18 5.603 -14.748 -10.756 123 HD2 PRO 18 HD2 PRO 18 4.435 -14.834 -8.291 124 HD3 PRO 18 HD1 PRO 18 5.677 -13.635 -8.710 125 H ILE 19 HN ILE 19 1.834 -12.660 -12.377 126 HA ILE 19 HA ILE 19 -0.794 -13.472 -11.387 127 HB ILE 19 HB ILE 19 0.230 -12.840 -14.205 128 HG12 ILE 19 HG12 ILE 19 -1.484 -11.099 -12.352 129 HG13 ILE 19 HG11 ILE 19 0.245 -10.888 -12.591 130 HG21 ILE 19 HG21 ILE 19 -1.748 -14.306 -14.346 131 HG22 ILE 19 HG22 ILE 19 -2.138 -12.685 -14.911 132 HG23 ILE 19 HG23 ILE 19 -2.660 -13.204 -13.308 133 HD11 ILE 19 HD11 ILE 19 -1.874 -10.574 -14.716 134 HD12 ILE 19 HD12 ILE 19 -0.139 -10.326 -14.937 135 HD13 ILE 19 HD13 ILE 19 -1.054 -9.272 -13.859 136 H SER 20 HN SER 20 -1.919 -15.371 -12.196 137 HA SER 20 HA SER 20 -0.398 -17.496 -13.537 138 HB2 SER 20 HB2 SER 20 -0.193 -17.881 -11.093 139 HB3 SER 20 HB1 SER 20 -1.948 -17.870 -10.930 140 HG SER 20 HG SER 20 -0.261 -19.855 -11.789 141 H ALA 21 HN ALA 21 -3.255 -15.681 -13.305 142 HA ALA 21 HA ALA 21 -4.848 -17.538 -14.888 143 HB1 ALA 21 HB1 ALA 21 -5.835 -16.601 -12.157 144 HB2 ALA 21 HB2 ALA 21 -5.336 -18.243 -12.565 145 HB3 ALA 21 HB3 ALA 21 -6.763 -17.546 -13.329 146 H VAL 22 HN VAL 22 -6.469 -16.563 -16.061 147 HA VAL 22 HA VAL 22 -6.760 -13.619 -15.915 148 HB VAL 22 HB VAL 22 -5.802 -14.349 -18.059 149 HG11 VAL 22 HG11 VAL 22 -6.637 -16.660 -18.151 150 HG12 VAL 22 HG12 VAL 22 -7.013 -15.801 -19.643 151 HG13 VAL 22 HG13 VAL 22 -8.279 -16.075 -18.447 152 HG21 VAL 22 HG21 VAL 22 -7.426 -13.307 -19.625 153 HG22 VAL 22 HG22 VAL 22 -7.300 -12.395 -18.123 154 HG23 VAL 22 HG23 VAL 22 -8.695 -13.438 -18.404 155 H PHE 23 HN PHE 23 -8.785 -12.753 -15.762 156 HA PHE 23 HA PHE 23 -11.076 -14.527 -15.213 157 HB2 PHE 23 HB2 PHE 23 -10.857 -11.507 -14.774 158 HB3 PHE 23 HB1 PHE 23 -12.124 -12.571 -14.161 159 HD1 PHE 23 HD1 PHE 23 -10.633 -14.845 -13.066 160 HD2 PHE 23 HD2 PHE 23 -9.728 -10.665 -12.876 161 HE1 PHE 23 HE1 PHE 23 -9.358 -15.207 -11.009 162 HE2 PHE 23 HE2 PHE 23 -8.456 -11.045 -10.811 163 HZ PHE 23 HZ PHE 23 -8.271 -13.319 -9.880 164 H GLN 24 HN GLN 24 -11.831 -15.082 -17.232 165 HA GLN 24 HA GLN 24 -12.262 -13.045 -19.285 166 HB2 GLN 24 HB2 GLN 24 -12.188 -16.062 -19.251 167 HB3 GLN 24 HB1 GLN 24 -13.100 -15.267 -20.538 168 HG2 GLN 24 HG2 GLN 24 -11.110 -13.976 -21.168 169 HG3 GLN 24 HG1 GLN 24 -10.176 -14.769 -19.901 170 HE21 GLN 24 HE21 GLN 24 -11.718 -15.174 -22.995 171 HE22 GLN 24 HE22 GLN 24 -10.931 -16.651 -23.431 172 HA PRO 25 HA PRO 25 -13.552 -12.978 -21.212 173 HB2 PRO 25 HB2 PRO 25 -15.768 -11.240 -21.962 174 HB3 PRO 25 HB1 PRO 25 -15.396 -12.855 -22.576 175 HG2 PRO 25 HG2 PRO 25 -17.621 -12.289 -21.040 176 HG3 PRO 25 HG1 PRO 25 -16.856 -13.889 -21.133 177 HD2 PRO 25 HD2 PRO 25 -16.462 -11.742 -19.027 178 HD3 PRO 25 HD1 PRO 25 -16.798 -13.478 -18.806 179 H CYS 26 HN CYS 26 -13.603 -11.260 -18.504 180 HA CYS 26 HA CYS 26 -13.750 -8.545 -19.294 181 HB2 CYS 26 HB2 CYS 26 -14.148 -9.169 -16.962 182 HB3 CYS 26 HB1 CYS 26 -12.484 -9.738 -16.807 183 H GLY 27 HN GLY 27 -10.782 -10.213 -18.088 184 HA2 GLY 27 HA2 GLY 27 -8.808 -10.093 -19.657 185 HA3 GLY 27 HA1 GLY 27 -9.147 -8.373 -19.769 186 H HIS 28 HN HIS 28 -9.852 -8.268 -16.817 187 HA HIS 28 HA HIS 28 -7.339 -7.792 -15.645 188 HB2 HIS 28 HB2 HIS 28 -10.042 -8.326 -14.364 189 HB3 HIS 28 HB1 HIS 28 -8.608 -7.991 -13.396 190 HD2 HIS 28 HD2 HIS 28 -7.379 -5.437 -14.907 191 HE1 HIS 28 HE1 HIS 28 -11.238 -3.805 -14.463 192 HE2 HIS 28 HE2 HIS 28 -8.783 -3.286 -14.694 193 H LYS 29 HN LYS 29 -6.135 -8.977 -14.097 194 HA LYS 29 HA LYS 29 -6.469 -11.914 -14.143 195 HB2 LYS 29 HB2 LYS 29 -3.909 -10.435 -14.919 196 HB3 LYS 29 HB1 LYS 29 -4.103 -12.180 -14.817 197 HG2 LYS 29 HG2 LYS 29 -5.712 -12.114 -16.684 198 HG3 LYS 29 HG1 LYS 29 -5.510 -10.364 -16.794 199 HD2 LYS 29 HD2 LYS 29 -3.086 -10.716 -17.312 200 HD3 LYS 29 HD1 LYS 29 -3.357 -12.460 -17.274 201 HE2 LYS 29 HE2 LYS 29 -3.358 -11.668 -19.581 202 HE3 LYS 29 HE1 LYS 29 -4.969 -12.237 -19.146 203 HZ1 LYS 29 HZ1 LYS 29 -5.596 -9.916 -18.769 204 HZ2 LYS 29 HZ2 LYS 29 -5.110 -10.191 -20.357 205 HZ3 LYS 29 HZ3 LYS 29 -4.069 -9.415 -19.276 206 H SER 30 HN SER 30 -5.124 -13.020 -12.582 207 HA SER 30 HA SER 30 -3.397 -11.675 -10.735 208 HB2 SER 30 HB2 SER 30 -4.644 -11.889 -8.683 209 HB3 SER 30 HB1 SER 30 -5.763 -11.137 -9.819 210 HG SER 30 HG SER 30 -6.420 -13.454 -10.207 211 H CYS 31 HN CYS 31 -3.046 -13.473 -8.784 212 HA CYS 31 HA CYS 31 -2.286 -15.942 -10.087 213 HB2 CYS 31 HB2 CYS 31 -1.262 -16.531 -7.991 214 HB3 CYS 31 HB1 CYS 31 -0.943 -14.816 -8.248 215 H LYS 32 HN LYS 32 -3.023 -18.076 -9.315 216 HA LYS 32 HA LYS 32 -5.850 -18.308 -9.332 217 HB2 LYS 32 HB2 LYS 32 -3.682 -20.357 -8.743 218 HB3 LYS 32 HB1 LYS 32 -5.388 -20.761 -8.927 219 HG2 LYS 32 HG2 LYS 32 -5.343 -19.944 -11.262 220 HG3 LYS 32 HG1 LYS 32 -3.642 -19.509 -11.079 221 HD2 LYS 32 HD2 LYS 32 -3.884 -21.666 -12.261 222 HD3 LYS 32 HD1 LYS 32 -3.049 -21.875 -10.722 223 HE2 LYS 32 HE2 LYS 32 -5.238 -22.613 -9.713 224 HE3 LYS 32 HE1 LYS 32 -5.949 -22.542 -11.324 225 HZ1 LYS 32 HZ1 LYS 32 -5.296 -24.769 -10.765 226 HZ2 LYS 32 HZ2 LYS 32 -3.705 -24.281 -10.474 227 HZ3 LYS 32 HZ3 LYS 32 -4.337 -24.205 -12.038 228 H ALA 33 HN ALA 33 -3.530 -18.217 -6.696 229 HA ALA 33 HA ALA 33 -5.073 -19.267 -4.596 230 HB1 ALA 33 HB1 ALA 33 -2.964 -17.090 -4.435 231 HB2 ALA 33 HB2 ALA 33 -2.652 -18.825 -4.425 232 HB3 ALA 33 HB3 ALA 33 -3.539 -18.079 -3.094 233 H CYS 34 HN CYS 34 -5.062 -16.037 -6.034 234 HA CYS 34 HA CYS 34 -6.684 -14.737 -4.074 235 HB2 CYS 34 HB2 CYS 34 -5.816 -13.979 -6.869 236 HB3 CYS 34 HB1 CYS 34 -7.080 -13.048 -6.075 237 H ILE 35 HN ILE 35 -7.460 -16.342 -7.192 238 HA ILE 35 HA ILE 35 -10.241 -15.594 -7.013 239 HB ILE 35 HB ILE 35 -9.207 -15.874 -9.233 240 HG12 ILE 35 HG12 ILE 35 -11.061 -17.179 -10.305 241 HG13 ILE 35 HG11 ILE 35 -11.521 -17.819 -8.733 242 HG21 ILE 35 HG21 ILE 35 -8.735 -18.101 -10.181 243 HG22 ILE 35 HG22 ILE 35 -9.057 -18.842 -8.611 244 HG23 ILE 35 HG23 ILE 35 -7.693 -17.742 -8.803 245 HD11 ILE 35 HD11 ILE 35 -12.109 -15.560 -7.988 246 HD12 ILE 35 HD12 ILE 35 -12.991 -16.019 -9.443 247 HD13 ILE 35 HD13 ILE 35 -11.623 -14.914 -9.559 248 H ASN 36 HN ASN 36 -8.339 -18.446 -6.117 249 HA ASN 36 HA ASN 36 -10.452 -20.212 -5.493 250 HB2 ASN 36 HB2 ASN 36 -8.035 -20.891 -5.569 251 HB3 ASN 36 HB1 ASN 36 -7.748 -19.982 -4.088 252 HD21 ASN 36 HD21 ASN 36 -7.121 -21.788 -2.863 253 HD22 ASN 36 HD22 ASN 36 -8.212 -23.053 -2.422 254 H GLN 37 HN GLN 37 -8.745 -17.796 -3.552 255 HA GLN 37 HA GLN 37 -10.162 -17.851 -1.138 256 HB2 GLN 37 HB2 GLN 37 -8.071 -16.607 -1.440 257 HB3 GLN 37 HB1 GLN 37 -8.818 -15.566 -2.641 258 HG2 GLN 37 HG2 GLN 37 -10.366 -14.746 -0.771 259 HG3 GLN 37 HG1 GLN 37 -9.291 -15.590 0.348 260 HE21 GLN 37 HE21 GLN 37 -8.569 -13.722 1.371 261 HE22 GLN 37 HE22 GLN 37 -7.571 -12.540 0.599 262 H HIS 38 HN HIS 38 -10.808 -16.129 -4.186 263 HA HIS 38 HA HIS 38 -12.879 -14.445 -3.179 264 HB2 HIS 38 HB2 HIS 38 -11.389 -13.884 -5.140 265 HB3 HIS 38 HB1 HIS 38 -12.271 -15.067 -6.099 266 HD2 HIS 38 HD2 HIS 38 -14.707 -14.188 -7.102 267 HE1 HIS 38 HE1 HIS 38 -14.565 -10.370 -5.286 268 HE2 HIS 38 HE2 HIS 38 -15.612 -11.763 -7.112 269 H LEU 39 HN LEU 39 -12.844 -17.578 -4.840 270 HA LEU 39 HA LEU 39 -15.619 -17.653 -5.525 271 HB2 LEU 39 HB2 LEU 39 -13.557 -19.873 -5.303 272 HB3 LEU 39 HB1 LEU 39 -15.193 -20.131 -5.888 273 HG LEU 39 HG LEU 39 -13.090 -18.373 -7.224 274 HD11 LEU 39 HD11 LEU 39 -12.582 -20.748 -7.489 275 HD12 LEU 39 HD12 LEU 39 -13.068 -20.036 -9.025 276 HD13 LEU 39 HD13 LEU 39 -14.203 -21.045 -8.122 277 HD21 LEU 39 HD21 LEU 39 -15.913 -18.980 -8.167 278 HD22 LEU 39 HD22 LEU 39 -14.682 -18.114 -9.086 279 HD23 LEU 39 HD23 LEU 39 -15.313 -17.420 -7.598 280 H MET 40 HN MET 40 -14.016 -18.062 -2.572 281 HA MET 40 HA MET 40 -16.000 -19.672 -1.214 282 HB2 MET 40 HB2 MET 40 -13.928 -17.810 0.027 283 HB3 MET 40 HB1 MET 40 -14.768 -19.139 0.818 284 HG2 MET 40 HG2 MET 40 -12.666 -19.349 -1.344 285 HG3 MET 40 HG1 MET 40 -12.506 -19.811 0.353 286 HE1 MET 40 HE1 MET 40 -11.857 -21.644 -2.288 287 HE2 MET 40 HE2 MET 40 -12.461 -23.204 -1.730 288 HE3 MET 40 HE3 MET 40 -11.530 -22.181 -0.637 289 H ASN 41 HN ASN 41 -15.840 -16.450 -2.264 290 HA ASN 41 HA ASN 41 -17.930 -15.491 -0.391 291 HB2 ASN 41 HB2 ASN 41 -15.955 -13.786 -1.973 292 HB3 ASN 41 HB1 ASN 41 -17.091 -13.223 -0.751 293 HD21 ASN 41 HD21 ASN 41 -14.047 -14.807 -1.326 294 HD22 ASN 41 HD22 ASN 41 -13.499 -14.785 0.309 295 H ASN 42 HN ASN 42 -16.735 -14.409 -3.596 296 HA ASN 42 HA ASN 42 -19.432 -14.696 -4.786 297 HB2 ASN 42 HB2 ASN 42 -17.655 -12.213 -4.861 298 HB3 ASN 42 HB1 ASN 42 -19.063 -12.431 -5.892 299 HD21 ASN 42 HD21 ASN 42 -17.969 -11.767 -2.654 300 HD22 ASN 42 HD22 ASN 42 -19.508 -11.318 -2.010 301 H LYS 43 HN LYS 43 -18.969 -13.815 -7.310 302 HA LYS 43 HA LYS 43 -16.550 -15.194 -8.351 303 HB2 LYS 43 HB2 LYS 43 -19.382 -15.499 -9.458 304 HB3 LYS 43 HB1 LYS 43 -17.926 -16.182 -10.180 305 HG2 LYS 43 HG2 LYS 43 -17.567 -17.517 -8.090 306 HG3 LYS 43 HG1 LYS 43 -19.103 -16.912 -7.473 307 HD2 LYS 43 HD2 LYS 43 -20.276 -17.998 -9.364 308 HD3 LYS 43 HD1 LYS 43 -18.730 -18.596 -9.976 309 HE2 LYS 43 HE2 LYS 43 -18.416 -19.906 -7.897 310 HE3 LYS 43 HE1 LYS 43 -19.957 -19.301 -7.281 311 HZ1 LYS 43 HZ1 LYS 43 -20.197 -21.495 -8.213 312 HZ2 LYS 43 HZ2 LYS 43 -19.580 -20.979 -9.698 313 HZ3 LYS 43 HZ3 LYS 43 -21.061 -20.381 -9.146 314 H ASP 44 HN ASP 44 -17.220 -12.394 -7.853 315 HA ASP 44 HA ASP 44 -17.467 -11.145 -10.491 316 HB2 ASP 44 HB2 ASP 44 -17.110 -9.922 -7.721 317 HB3 ASP 44 HB1 ASP 44 -17.411 -9.009 -9.195 318 H CYS 45 HN CYS 45 -15.872 -9.452 -11.127 319 HA CYS 45 HA CYS 45 -13.145 -10.545 -10.914 320 HB2 CYS 45 HB2 CYS 45 -14.051 -10.253 -13.131 321 HB3 CYS 45 HB1 CYS 45 -14.432 -8.573 -12.817 322 H PHE 46 HN PHE 46 -13.566 -9.512 -8.596 323 HA PHE 46 HA PHE 46 -12.732 -8.224 -6.974 324 HB2 PHE 46 HB2 PHE 46 -10.449 -8.150 -8.977 325 HB3 PHE 46 HB1 PHE 46 -10.282 -7.557 -7.330 326 HD1 PHE 46 HD2 PHE 46 -11.216 -10.649 -9.264 327 HD2 PHE 46 HD1 PHE 46 -9.637 -9.060 -5.616 328 HE1 PHE 46 HE2 PHE 46 -10.649 -12.918 -8.508 329 HE2 PHE 46 HE1 PHE 46 -9.079 -11.338 -4.874 330 HZ PHE 46 HZ PHE 46 -9.584 -13.263 -6.319 331 H PHE 47 HN PHE 47 -11.134 -6.216 -9.445 332 HA PHE 47 HA PHE 47 -11.681 -3.855 -7.913 333 HB2 PHE 47 HB2 PHE 47 -10.361 -4.085 -10.653 334 HB3 PHE 47 HB1 PHE 47 -10.254 -2.711 -9.554 335 HD1 PHE 47 HD1 PHE 47 -9.171 -3.144 -7.212 336 HD2 PHE 47 HD2 PHE 47 -8.709 -5.812 -10.535 337 HE1 PHE 47 HE1 PHE 47 -7.174 -4.126 -6.153 338 HE2 PHE 47 HE2 PHE 47 -6.714 -6.774 -9.468 339 HZ PHE 47 HZ PHE 47 -5.942 -5.938 -7.281 340 H CYS 48 HN CYS 48 -12.434 -4.766 -11.314 341 HA CYS 48 HA CYS 48 -14.305 -2.585 -11.645 342 HB2 CYS 48 HB2 CYS 48 -14.582 -3.336 -13.891 343 HB3 CYS 48 HB1 CYS 48 -12.892 -3.677 -13.513 344 H LYS 49 HN LYS 49 -14.479 -5.844 -10.501 345 HA LYS 49 HA LYS 49 -16.034 -7.120 -9.574 346 HB2 LYS 49 HB2 LYS 49 -16.622 -5.121 -8.324 347 HB3 LYS 49 HB1 LYS 49 -17.629 -4.523 -9.624 348 HG2 LYS 49 HG2 LYS 49 -18.419 -7.136 -8.398 349 HG3 LYS 49 HG1 LYS 49 -18.616 -5.695 -7.408 350 HD2 LYS 49 HD2 LYS 49 -20.118 -4.692 -9.018 351 HD3 LYS 49 HD1 LYS 49 -19.750 -5.930 -10.221 352 HE2 LYS 49 HE2 LYS 49 -21.944 -6.325 -9.252 353 HE3 LYS 49 HE1 LYS 49 -20.849 -7.627 -8.790 354 HZ1 LYS 49 HZ1 LYS 49 -21.632 -5.324 -7.105 355 HZ2 LYS 49 HZ2 LYS 49 -20.572 -6.564 -6.649 356 HZ3 LYS 49 HZ3 LYS 49 -22.195 -6.913 -6.958 357 H THR 50 HN THR 50 -16.283 -6.236 -12.727 358 HA THR 50 HA THR 50 -18.735 -7.169 -13.654 359 HB THR 50 HB THR 50 -16.020 -7.564 -14.992 360 HG1 THR 50 HG1 THR 50 -17.195 -5.472 -16.020 361 HG21 THR 50 HG21 THR 50 -18.793 -7.347 -16.234 362 HG22 THR 50 HG22 THR 50 -17.842 -8.829 -16.105 363 HG23 THR 50 HG23 THR 50 -17.269 -7.500 -17.112 364 H THR 51 HN THR 51 -19.672 -9.180 -13.505 365 HA THR 51 HA THR 51 -18.527 -11.291 -12.061 366 HB THR 51 HB THR 51 -20.933 -11.508 -13.923 367 HG1 THR 51 HG1 THR 51 -20.572 -10.314 -11.409 368 HG21 THR 51 HG21 THR 51 -20.211 -13.086 -11.410 369 HG22 THR 51 HG22 THR 51 -20.129 -13.705 -13.060 370 HG23 THR 51 HG23 THR 51 -21.689 -13.274 -12.361 371 H ILE 52 HN ILE 52 -17.364 -13.039 -12.627 372 HA ILE 52 HA ILE 52 -16.141 -13.155 -15.252 373 HB ILE 52 HB ILE 52 -15.669 -15.063 -12.909 374 HG12 ILE 52 HG12 ILE 52 -14.128 -12.449 -13.351 375 HG13 ILE 52 HG11 ILE 52 -15.433 -12.612 -12.179 376 HG21 ILE 52 HG21 ILE 52 -13.403 -15.298 -13.915 377 HG22 ILE 52 HG22 ILE 52 -13.871 -14.211 -15.220 378 HG23 ILE 52 HG23 ILE 52 -14.674 -15.771 -15.039 379 HD11 ILE 52 HD11 ILE 52 -13.249 -12.789 -11.144 380 HD12 ILE 52 HD12 ILE 52 -12.856 -14.178 -12.157 381 HD13 ILE 52 HD13 ILE 52 -14.158 -14.291 -10.966 382 H VAL 53 HN VAL 53 -16.821 -14.519 -16.856 383 HA VAL 53 HA VAL 53 -18.876 -16.509 -16.458 384 HB VAL 53 HB VAL 53 -17.146 -15.867 -18.899 385 HG11 VAL 53 HG11 VAL 53 -18.707 -17.262 -20.240 386 HG12 VAL 53 HG12 VAL 53 -19.520 -17.774 -18.758 387 HG13 VAL 53 HG13 VAL 53 -17.840 -18.224 -19.040 388 HG21 VAL 53 HG21 VAL 53 -20.065 -15.220 -18.306 389 HG22 VAL 53 HG22 VAL 53 -19.210 -14.823 -19.797 390 HG23 VAL 53 HG23 VAL 53 -18.721 -14.074 -18.278 391 H SER 54 HN SER 54 -15.378 -16.588 -17.277 392 HA SER 54 HA SER 54 -15.089 -19.179 -15.938 393 HB2 SER 54 HB2 SER 54 -15.604 -19.752 -18.311 394 HB3 SER 54 HB1 SER 54 -14.245 -18.766 -18.849 395 HG SER 54 HG SER 54 -12.870 -20.255 -18.135 396 H VAL 55 HN VAL 55 -13.203 -19.301 -14.866 397 HA VAL 55 HA VAL 55 -11.131 -17.236 -15.266 398 HB VAL 55 HB VAL 55 -11.364 -19.299 -13.012 399 HG11 VAL 55 HG11 VAL 55 -9.641 -16.793 -13.227 400 HG12 VAL 55 HG12 VAL 55 -9.074 -18.462 -13.304 401 HG13 VAL 55 HG13 VAL 55 -9.760 -17.837 -11.806 402 HG21 VAL 55 HG21 VAL 55 -13.323 -17.805 -12.974 403 HG22 VAL 55 HG22 VAL 55 -12.269 -16.390 -12.981 404 HG23 VAL 55 HG23 VAL 55 -12.266 -17.487 -11.601 405 H GLU 56 HN GLU 56 -9.857 -17.909 -16.903 406 HA GLU 56 HA GLU 56 -8.923 -20.692 -17.099 407 HB2 GLU 56 HB2 GLU 56 -8.400 -18.285 -18.906 408 HB3 GLU 56 HB1 GLU 56 -7.918 -19.939 -19.251 409 HG2 GLU 56 HG2 GLU 56 -10.792 -18.993 -18.989 410 HG3 GLU 56 HG1 GLU 56 -9.931 -19.204 -20.512 411 H ASP 57 HN ASP 57 -6.503 -20.980 -17.459 412 HA ASP 57 HA ASP 57 -4.932 -19.404 -15.583 413 HB2 ASP 57 HB2 ASP 57 -3.107 -20.932 -16.036 414 HB3 ASP 57 HB1 ASP 57 -4.571 -21.884 -15.851 415 H TRP 58 HN TRP 58 -3.182 -18.074 -16.175 416 HA TRP 58 HA TRP 58 -2.796 -17.467 -19.034 417 HB2 TRP 58 HB2 TRP 58 -4.128 -15.608 -18.038 418 HB3 TRP 58 HB1 TRP 58 -2.876 -15.355 -16.824 419 HD1 TRP 58 HD1 TRP 58 -3.412 -15.021 -20.653 420 HE1 TRP 58 HE1 TRP 58 -1.753 -13.289 -21.567 421 HE3 TRP 58 HE3 TRP 58 -0.690 -14.167 -16.404 422 HZ2 TRP 58 HZ2 TRP 58 0.417 -11.761 -20.625 423 HZ3 TRP 58 HZ3 TRP 58 1.161 -12.550 -16.489 424 HH2 TRP 58 HH2 TRP 58 1.705 -11.370 -18.561 425 H GLU 59 HN GLU 59 -0.837 -18.095 -19.484 426 HA GLU 59 HA GLU 59 1.382 -17.383 -17.653 427 HB2 GLU 59 HB2 GLU 59 1.217 -19.829 -18.013 428 HB3 GLU 59 HB1 GLU 59 1.308 -19.596 -19.757 429 HG2 GLU 59 HG2 GLU 59 3.594 -18.785 -19.598 430 HG3 GLU 59 HG1 GLU 59 3.524 -18.766 -17.837 431 H LYS 60 HN LYS 60 2.550 -15.784 -18.334 432 HA LYS 60 HA LYS 60 2.338 -14.359 -20.711 433 HB2 LYS 60 HB2 LYS 60 4.271 -13.109 -19.983 434 HB3 LYS 60 HB1 LYS 60 3.305 -13.489 -18.570 435 HG2 LYS 60 HG2 LYS 60 5.803 -15.017 -19.367 436 HG3 LYS 60 HG1 LYS 60 5.795 -13.663 -18.241 437 HD2 LYS 60 HD2 LYS 60 4.396 -14.934 -16.674 438 HD3 LYS 60 HD1 LYS 60 4.270 -16.266 -17.827 439 HE2 LYS 60 HE2 LYS 60 5.925 -16.754 -16.059 440 HE3 LYS 60 HE1 LYS 60 6.688 -16.679 -17.646 441 HZ1 LYS 60 HZ1 LYS 60 6.706 -14.541 -15.591 442 HZ2 LYS 60 HZ2 LYS 60 7.403 -14.417 -17.126 443 HZ3 LYS 60 HZ3 LYS 60 8.004 -15.537 -16.013 444 H GLY 61 HN GLY 61 3.805 -14.116 -22.499 445 HA2 GLY 61 HA2 GLY 61 5.344 -16.558 -23.225 446 HA3 GLY 61 HA1 GLY 61 4.374 -15.631 -24.364 Start of MODEL 4 1 H1 SER 1 HT1 SER 1 4.066 12.740 -8.099 2 H2 SER 1 HT2 SER 1 4.299 11.612 -6.871 3 H3 SER 1 HT3 SER 1 2.984 12.661 -6.801 4 HA SER 1 HA SER 1 2.286 10.484 -7.431 5 HB2 SER 1 HB2 SER 1 2.149 12.506 -9.706 6 HB3 SER 1 HB1 SER 1 1.024 11.168 -9.446 7 HG SER 1 HG SER 1 0.124 12.999 -8.566 8 H HIS 2 HN HIS 2 5.266 11.328 -8.709 9 HA HIS 2 HA HIS 2 5.335 9.448 -10.932 10 HB2 HIS 2 HB2 HIS 2 7.663 10.201 -11.233 11 HB3 HIS 2 HB1 HIS 2 6.599 11.590 -11.083 12 HD2 HIS 2 HD2 HIS 2 6.779 12.920 -8.496 13 HE1 HIS 2 HE1 HIS 2 10.620 11.318 -7.767 14 HE2 HIS 2 HE2 HIS 2 9.009 13.179 -7.209 15 H MET 3 HN MET 3 6.037 7.405 -10.831 16 HA MET 3 HA MET 3 8.019 6.459 -8.986 17 HB2 MET 3 HB2 MET 3 5.922 6.341 -7.575 18 HB3 MET 3 HB1 MET 3 5.227 5.238 -8.753 19 HG2 MET 3 HG2 MET 3 7.063 3.621 -8.272 20 HG3 MET 3 HG1 MET 3 7.684 4.730 -7.050 21 HE1 MET 3 HE1 MET 3 3.578 2.609 -6.711 22 HE2 MET 3 HE2 MET 3 4.697 2.325 -8.048 23 HE3 MET 3 HE3 MET 3 3.893 3.887 -7.880 24 HA PRO 4 HA PRO 4 7.992 4.401 -13.187 25 HB2 PRO 4 HB2 PRO 4 10.952 4.674 -12.827 26 HB3 PRO 4 HB1 PRO 4 9.944 5.112 -14.215 27 HG2 PRO 4 HG2 PRO 4 10.981 7.011 -12.618 28 HG3 PRO 4 HG1 PRO 4 9.344 7.180 -13.296 29 HD2 PRO 4 HD2 PRO 4 10.163 6.290 -10.520 30 HD3 PRO 4 HD1 PRO 4 8.894 7.441 -11.004 31 H THR 5 HN THR 5 7.191 2.587 -12.038 32 HA THR 5 HA THR 5 9.016 0.846 -10.561 33 HB THR 5 HB THR 5 6.045 0.488 -11.177 34 HG1 THR 5 HG1 THR 5 6.533 2.364 -9.901 35 HG21 THR 5 HG21 THR 5 7.802 -0.870 -9.097 36 HG22 THR 5 HG22 THR 5 7.138 -1.636 -10.542 37 HG23 THR 5 HG23 THR 5 6.058 -1.081 -9.264 38 H SER 6 HN SER 6 10.398 0.381 -12.397 39 HA SER 6 HA SER 6 9.487 -1.245 -14.593 40 HB2 SER 6 HB2 SER 6 11.545 0.096 -14.801 41 HB3 SER 6 HB1 SER 6 12.294 -0.804 -13.485 42 HG SER 6 HG SER 6 12.570 -2.495 -14.770 43 H GLU 7 HN GLU 7 8.420 -3.056 -13.893 44 HA GLU 7 HA GLU 7 9.808 -5.066 -12.295 45 HB2 GLU 7 HB2 GLU 7 8.545 -3.213 -10.845 46 HB3 GLU 7 HB1 GLU 7 7.113 -4.144 -11.255 47 HG2 GLU 7 HG2 GLU 7 7.764 -5.971 -9.947 48 HG3 GLU 7 HG1 GLU 7 9.480 -5.588 -10.075 49 H GLU 8 HN GLU 8 7.964 -6.884 -11.816 50 HA GLU 8 HA GLU 8 7.404 -7.901 -14.456 51 HB2 GLU 8 HB2 GLU 8 8.447 -9.246 -12.585 52 HB3 GLU 8 HB1 GLU 8 6.927 -9.161 -11.714 53 HG2 GLU 8 HG2 GLU 8 7.237 -11.341 -12.804 54 HG3 GLU 8 HG1 GLU 8 5.821 -10.495 -13.430 55 H ASP 9 HN ASP 9 5.289 -8.957 -14.977 56 HA ASP 9 HA ASP 9 2.866 -7.621 -14.371 57 HB2 ASP 9 HB2 ASP 9 3.394 -10.399 -15.537 58 HB3 ASP 9 HB1 ASP 9 1.786 -9.696 -15.385 59 H LEU 10 HN LEU 10 3.247 -7.549 -12.099 60 HA LEU 10 HA LEU 10 3.035 -9.882 -10.439 61 HB2 LEU 10 HB2 LEU 10 2.948 -6.927 -9.768 62 HB3 LEU 10 HB1 LEU 10 2.979 -8.211 -8.566 63 HG LEU 10 HG LEU 10 5.180 -7.594 -10.574 64 HD11 LEU 10 HD11 LEU 10 5.113 -7.177 -7.570 65 HD12 LEU 10 HD12 LEU 10 5.062 -5.913 -8.800 66 HD13 LEU 10 HD13 LEU 10 6.508 -6.903 -8.620 67 HD21 LEU 10 HD21 LEU 10 6.528 -9.293 -9.367 68 HD22 LEU 10 HD22 LEU 10 5.118 -10.006 -10.144 69 HD23 LEU 10 HD23 LEU 10 5.110 -9.722 -8.402 70 H CYS 11 HN CYS 11 1.336 -10.414 -9.081 71 HA CYS 11 HA CYS 11 -1.317 -10.067 -9.921 72 HB2 CYS 11 HB2 CYS 11 -0.692 -11.971 -8.531 73 HB3 CYS 11 HB1 CYS 11 -0.157 -10.903 -7.235 74 HA PRO 12 HA PRO 12 -1.535 -5.741 -8.552 75 HB2 PRO 12 HB2 PRO 12 -4.186 -5.251 -9.150 76 HB3 PRO 12 HB1 PRO 12 -2.907 -5.334 -10.370 77 HG2 PRO 12 HG2 PRO 12 -4.859 -7.477 -9.525 78 HG3 PRO 12 HG1 PRO 12 -4.388 -6.975 -11.166 79 HD2 PRO 12 HD2 PRO 12 -3.326 -9.167 -10.001 80 HD3 PRO 12 HD1 PRO 12 -2.357 -8.129 -11.070 81 H ILE 13 HN ILE 13 -3.213 -8.324 -7.081 82 HA ILE 13 HA ILE 13 -4.178 -6.785 -4.796 83 HB ILE 13 HB ILE 13 -4.211 -9.793 -5.353 84 HG12 ILE 13 HG12 ILE 13 -6.787 -9.383 -5.325 85 HG13 ILE 13 HG11 ILE 13 -6.417 -7.669 -5.462 86 HG21 ILE 13 HG21 ILE 13 -5.648 -10.025 -3.324 87 HG22 ILE 13 HG22 ILE 13 -5.368 -8.322 -2.944 88 HG23 ILE 13 HG23 ILE 13 -4.022 -9.462 -2.938 89 HD11 ILE 13 HD11 ILE 13 -5.673 -9.811 -7.456 90 HD12 ILE 13 HD12 ILE 13 -5.334 -8.086 -7.620 91 HD13 ILE 13 HD13 ILE 13 -7.001 -8.660 -7.603 92 H CYS 14 HN CYS 14 -1.741 -9.341 -5.485 93 HA CYS 14 HA CYS 14 -0.763 -9.327 -2.745 94 HB2 CYS 14 HB2 CYS 14 0.115 -10.938 -5.164 95 HB3 CYS 14 HB1 CYS 14 0.767 -11.148 -3.544 96 H TYR 15 HN TYR 15 0.697 -8.850 -5.951 97 HA TYR 15 HA TYR 15 2.510 -7.840 -6.784 98 HB2 TYR 15 HB2 TYR 15 2.806 -6.460 -4.088 99 HB3 TYR 15 HB1 TYR 15 3.770 -6.093 -5.515 100 HD1 TYR 15 HD2 TYR 15 2.555 -5.190 -7.609 101 HD2 TYR 15 HD1 TYR 15 0.677 -5.405 -3.771 102 HE1 TYR 15 HE2 TYR 15 0.871 -3.556 -8.329 103 HE2 TYR 15 HE1 TYR 15 -1.000 -3.770 -4.501 104 HH TYR 15 HH TYR 15 -1.223 -1.987 -6.176 105 H ALA 16 HN ALA 16 2.952 -9.331 -3.598 106 HA ALA 16 HA ALA 16 5.674 -9.865 -3.604 107 HB1 ALA 16 HB1 ALA 16 5.169 -11.592 -1.933 108 HB2 ALA 16 HB2 ALA 16 3.460 -11.516 -2.371 109 HB3 ALA 16 HB3 ALA 16 4.236 -10.118 -1.630 110 H HIS 17 HN HIS 17 3.081 -11.498 -5.312 111 HA HIS 17 HA HIS 17 5.010 -13.200 -6.736 112 HB2 HIS 17 HB2 HIS 17 2.347 -14.140 -5.579 113 HB3 HIS 17 HB1 HIS 17 3.273 -15.062 -6.760 114 HD1 HIS 17 HD1 HIS 17 2.750 -14.881 -3.244 115 HD2 HIS 17 HD2 HIS 17 6.066 -15.556 -5.649 116 HE1 HIS 17 HE1 HIS 17 4.460 -15.931 -1.753 117 HE2 HIS 17 HE2 HIS 17 6.505 -16.191 -3.190 118 HA PRO 18 HA PRO 18 3.087 -11.546 -10.366 119 HB2 PRO 18 HB2 PRO 18 3.508 -13.436 -12.254 120 HB3 PRO 18 HB1 PRO 18 4.852 -12.578 -11.480 121 HG2 PRO 18 HG2 PRO 18 3.698 -15.289 -10.791 122 HG3 PRO 18 HG1 PRO 18 5.399 -14.842 -11.072 123 HD2 PRO 18 HD2 PRO 18 4.378 -15.030 -8.570 124 HD3 PRO 18 HD1 PRO 18 5.606 -13.812 -8.980 125 H ILE 19 HN ILE 19 1.766 -12.515 -12.474 126 HA ILE 19 HA ILE 19 -0.900 -13.221 -11.533 127 HB ILE 19 HB ILE 19 0.192 -12.685 -14.345 128 HG12 ILE 19 HG12 ILE 19 -1.455 -10.834 -12.531 129 HG13 ILE 19 HG11 ILE 19 0.283 -10.708 -12.767 130 HG21 ILE 19 HG21 ILE 19 -2.713 -12.914 -13.451 131 HG22 ILE 19 HG22 ILE 19 -1.839 -14.074 -14.453 132 HG23 ILE 19 HG23 ILE 19 -2.160 -12.455 -15.065 133 HD11 ILE 19 HD11 ILE 19 -1.809 -10.327 -14.907 134 HD12 ILE 19 HD12 ILE 19 -0.063 -10.168 -15.123 135 HD13 ILE 19 HD13 ILE 19 -0.929 -9.055 -14.065 136 H SER 20 HN SER 20 -2.059 -15.090 -12.246 137 HA SER 20 HA SER 20 -0.568 -17.346 -13.412 138 HB2 SER 20 HB2 SER 20 -2.289 -17.628 -10.910 139 HB3 SER 20 HB1 SER 20 -1.233 -18.845 -11.631 140 HG SER 20 HG SER 20 0.461 -17.126 -11.197 141 H ALA 21 HN ALA 21 -3.584 -15.678 -12.841 142 HA ALA 21 HA ALA 21 -5.035 -17.423 -14.699 143 HB1 ALA 21 HB1 ALA 21 -6.104 -16.624 -11.958 144 HB2 ALA 21 HB2 ALA 21 -5.576 -18.240 -12.423 145 HB3 ALA 21 HB3 ALA 21 -6.991 -17.524 -13.193 146 H VAL 22 HN VAL 22 -6.443 -16.351 -15.994 147 HA VAL 22 HA VAL 22 -6.737 -13.425 -15.712 148 HB VAL 22 HB VAL 22 -5.758 -14.116 -17.852 149 HG11 VAL 22 HG11 VAL 22 -6.968 -15.480 -19.510 150 HG12 VAL 22 HG12 VAL 22 -8.263 -15.771 -18.345 151 HG13 VAL 22 HG13 VAL 22 -6.642 -16.399 -18.039 152 HG21 VAL 22 HG21 VAL 22 -8.626 -13.160 -18.258 153 HG22 VAL 22 HG22 VAL 22 -7.300 -12.988 -19.413 154 HG23 VAL 22 HG23 VAL 22 -7.231 -12.137 -17.871 155 H PHE 23 HN PHE 23 -8.704 -12.503 -15.520 156 HA PHE 23 HA PHE 23 -11.058 -14.141 -14.964 157 HB2 PHE 23 HB2 PHE 23 -10.806 -11.098 -14.828 158 HB3 PHE 23 HB1 PHE 23 -12.066 -12.091 -14.094 159 HD1 PHE 23 HD1 PHE 23 -10.197 -14.274 -12.959 160 HD2 PHE 23 HD2 PHE 23 -10.012 -9.999 -12.842 161 HE1 PHE 23 HE1 PHE 23 -8.891 -14.377 -10.892 162 HE2 PHE 23 HE2 PHE 23 -8.707 -10.125 -10.765 163 HZ PHE 23 HZ PHE 23 -8.144 -12.315 -9.796 164 H GLN 24 HN GLN 24 -11.609 -14.924 -16.942 165 HA GLN 24 HA GLN 24 -11.732 -13.255 -19.319 166 HB2 GLN 24 HB2 GLN 24 -10.727 -15.498 -19.389 167 HB3 GLN 24 HB1 GLN 24 -12.222 -16.222 -18.815 168 HG2 GLN 24 HG2 GLN 24 -13.338 -15.743 -20.895 169 HG3 GLN 24 HG1 GLN 24 -11.981 -14.773 -21.465 170 HE21 GLN 24 HE21 GLN 24 -11.486 -17.813 -19.794 171 HE22 GLN 24 HE22 GLN 24 -10.944 -18.701 -21.172 172 HA PRO 25 HA PRO 25 -12.738 -12.949 -21.196 173 HB2 PRO 25 HB2 PRO 25 -14.504 -11.697 -22.742 174 HB3 PRO 25 HB1 PRO 25 -14.700 -13.425 -22.412 175 HG2 PRO 25 HG2 PRO 25 -16.170 -11.088 -21.214 176 HG3 PRO 25 HG1 PRO 25 -16.797 -12.677 -21.706 177 HD2 PRO 25 HD2 PRO 25 -16.010 -11.907 -19.079 178 HD3 PRO 25 HD1 PRO 25 -16.376 -13.554 -19.623 179 H CYS 26 HN CYS 26 -13.372 -11.128 -18.622 180 HA CYS 26 HA CYS 26 -13.622 -8.466 -19.438 181 HB2 CYS 26 HB2 CYS 26 -14.061 -9.082 -17.142 182 HB3 CYS 26 HB1 CYS 26 -12.389 -9.593 -16.908 183 H GLY 27 HN GLY 27 -10.610 -10.095 -18.324 184 HA2 GLY 27 HA2 GLY 27 -8.595 -9.736 -19.712 185 HA3 GLY 27 HA1 GLY 27 -9.009 -8.028 -19.772 186 H HIS 28 HN HIS 28 -9.835 -7.973 -16.889 187 HA HIS 28 HA HIS 28 -7.455 -7.413 -15.534 188 HB2 HIS 28 HB2 HIS 28 -10.201 -8.196 -14.499 189 HB3 HIS 28 HB1 HIS 28 -8.873 -8.004 -13.366 190 HD2 HIS 28 HD2 HIS 28 -7.612 -5.204 -14.150 191 HE1 HIS 28 HE1 HIS 28 -11.580 -3.782 -13.895 192 HE2 HIS 28 HE2 HIS 28 -9.144 -3.120 -14.041 193 H LYS 29 HN LYS 29 -6.057 -8.629 -14.277 194 HA LYS 29 HA LYS 29 -6.416 -11.574 -14.199 195 HB2 LYS 29 HB2 LYS 29 -3.850 -10.076 -14.873 196 HB3 LYS 29 HB1 LYS 29 -4.024 -11.820 -14.740 197 HG2 LYS 29 HG2 LYS 29 -5.533 -11.827 -16.685 198 HG3 LYS 29 HG1 LYS 29 -5.362 -10.075 -16.821 199 HD2 LYS 29 HD2 LYS 29 -2.896 -10.398 -17.186 200 HD3 LYS 29 HD1 LYS 29 -3.158 -12.147 -17.166 201 HE2 LYS 29 HE2 LYS 29 -3.019 -11.277 -19.462 202 HE3 LYS 29 HE1 LYS 29 -4.608 -11.970 -19.130 203 HZ1 LYS 29 HZ1 LYS 29 -4.778 -9.892 -20.323 204 HZ2 LYS 29 HZ2 LYS 29 -3.937 -9.080 -19.107 205 HZ3 LYS 29 HZ3 LYS 29 -5.462 -9.735 -18.785 206 H SER 30 HN SER 30 -4.767 -12.569 -12.714 207 HA SER 30 HA SER 30 -3.514 -11.222 -10.569 208 HB2 SER 30 HB2 SER 30 -5.848 -10.734 -9.844 209 HB3 SER 30 HB1 SER 30 -6.241 -12.448 -9.922 210 HG SER 30 HG SER 30 -5.799 -11.789 -7.808 211 H CYS 31 HN CYS 31 -3.069 -12.991 -8.737 212 HA CYS 31 HA CYS 31 -2.220 -15.452 -10.006 213 HB2 CYS 31 HB2 CYS 31 -1.194 -16.019 -7.931 214 HB3 CYS 31 HB1 CYS 31 -0.966 -14.280 -8.100 215 H LYS 32 HN LYS 32 -2.937 -17.589 -9.255 216 HA LYS 32 HA LYS 32 -5.759 -17.802 -9.460 217 HB2 LYS 32 HB2 LYS 32 -4.182 -19.471 -10.411 218 HB3 LYS 32 HB1 LYS 32 -3.704 -19.953 -8.782 219 HG2 LYS 32 HG2 LYS 32 -6.133 -20.586 -8.369 220 HG3 LYS 32 HG1 LYS 32 -6.423 -20.316 -10.089 221 HD2 LYS 32 HD2 LYS 32 -4.890 -22.122 -10.682 222 HD3 LYS 32 HD1 LYS 32 -4.386 -22.302 -8.999 223 HE2 LYS 32 HE2 LYS 32 -7.162 -22.857 -10.090 224 HE3 LYS 32 HE1 LYS 32 -5.967 -24.070 -9.620 225 HZ1 LYS 32 HZ1 LYS 32 -7.270 -22.096 -7.827 226 HZ2 LYS 32 HZ2 LYS 32 -6.062 -23.181 -7.355 227 HZ3 LYS 32 HZ3 LYS 32 -7.562 -23.761 -7.874 228 H ALA 33 HN ALA 33 -3.539 -17.880 -6.742 229 HA ALA 33 HA ALA 33 -5.083 -19.097 -4.766 230 HB1 ALA 33 HB1 ALA 33 -3.046 -16.859 -4.399 231 HB2 ALA 33 HB2 ALA 33 -2.675 -18.580 -4.499 232 HB3 ALA 33 HB3 ALA 33 -3.612 -17.958 -3.140 233 H CYS 34 HN CYS 34 -4.937 -15.688 -5.766 234 HA CYS 34 HA CYS 34 -6.646 -14.535 -3.865 235 HB2 CYS 34 HB2 CYS 34 -5.791 -13.705 -6.637 236 HB3 CYS 34 HB1 CYS 34 -7.095 -12.823 -5.856 237 H ILE 35 HN ILE 35 -7.408 -15.836 -7.115 238 HA ILE 35 HA ILE 35 -10.157 -15.035 -6.924 239 HB ILE 35 HB ILE 35 -9.087 -15.035 -9.107 240 HG12 ILE 35 HG12 ILE 35 -10.854 -16.193 -10.425 241 HG13 ILE 35 HG11 ILE 35 -11.330 -17.118 -9.006 242 HG21 ILE 35 HG21 ILE 35 -8.487 -17.097 -10.310 243 HG22 ILE 35 HG22 ILE 35 -8.845 -18.052 -8.867 244 HG23 ILE 35 HG23 ILE 35 -7.521 -16.883 -8.849 245 HD11 ILE 35 HD11 ILE 35 -11.544 -14.116 -9.297 246 HD12 ILE 35 HD12 ILE 35 -12.072 -15.070 -7.905 247 HD13 ILE 35 HD13 ILE 35 -12.862 -15.276 -9.468 248 H ASN 36 HN ASN 36 -8.418 -18.094 -6.410 249 HA ASN 36 HA ASN 36 -10.642 -19.786 -6.053 250 HB2 ASN 36 HB2 ASN 36 -8.360 -20.676 -6.229 251 HB3 ASN 36 HB1 ASN 36 -7.896 -19.889 -4.725 252 HD21 ASN 36 HD21 ASN 36 -8.614 -20.787 -2.752 253 HD22 ASN 36 HD22 ASN 36 -9.258 -22.388 -2.647 254 H GLN 37 HN GLN 37 -8.881 -17.702 -3.784 255 HA GLN 37 HA GLN 37 -10.407 -18.220 -1.442 256 HB2 GLN 37 HB2 GLN 37 -8.152 -17.161 -1.419 257 HB3 GLN 37 HB1 GLN 37 -8.808 -15.736 -2.211 258 HG2 GLN 37 HG2 GLN 37 -8.552 -15.205 0.099 259 HG3 GLN 37 HG1 GLN 37 -10.279 -15.375 -0.196 260 HE21 GLN 37 HE21 GLN 37 -8.818 -15.544 2.316 261 HE22 GLN 37 HE22 GLN 37 -9.157 -17.103 2.982 262 H HIS 38 HN HIS 38 -10.807 -16.009 -4.139 263 HA HIS 38 HA HIS 38 -12.814 -14.323 -3.026 264 HB2 HIS 38 HB2 HIS 38 -11.313 -13.745 -4.968 265 HB3 HIS 38 HB1 HIS 38 -12.227 -14.864 -5.967 266 HD2 HIS 38 HD2 HIS 38 -14.548 -13.841 -7.036 267 HE1 HIS 38 HE1 HIS 38 -14.335 -10.106 -5.078 268 HE2 HIS 38 HE2 HIS 38 -15.355 -11.391 -6.992 269 H LEU 39 HN LEU 39 -12.871 -17.229 -5.060 270 HA LEU 39 HA LEU 39 -15.640 -17.266 -5.665 271 HB2 LEU 39 HB2 LEU 39 -13.566 -19.482 -5.773 272 HB3 LEU 39 HB1 LEU 39 -15.197 -19.639 -6.410 273 HG LEU 39 HG LEU 39 -13.185 -17.584 -7.413 274 HD11 LEU 39 HD11 LEU 39 -13.861 -20.264 -8.656 275 HD12 LEU 39 HD12 LEU 39 -12.335 -19.823 -7.888 276 HD13 LEU 39 HD13 LEU 39 -12.834 -19.015 -9.373 277 HD21 LEU 39 HD21 LEU 39 -15.513 -16.924 -7.808 278 HD22 LEU 39 HD22 LEU 39 -15.830 -18.467 -8.612 279 HD23 LEU 39 HD23 LEU 39 -14.698 -17.313 -9.321 280 H MET 40 HN MET 40 -13.929 -18.144 -2.841 281 HA MET 40 HA MET 40 -15.708 -20.004 -1.650 282 HB2 MET 40 HB2 MET 40 -13.881 -17.955 -0.321 283 HB3 MET 40 HB1 MET 40 -14.682 -19.277 0.522 284 HG2 MET 40 HG2 MET 40 -12.635 -19.610 -1.681 285 HG3 MET 40 HG1 MET 40 -12.304 -19.746 0.046 286 HE1 MET 40 HE1 MET 40 -13.167 -21.771 1.576 287 HE2 MET 40 HE2 MET 40 -14.306 -22.993 1.009 288 HE3 MET 40 HE3 MET 40 -14.824 -21.316 1.173 289 H ASN 41 HN ASN 41 -16.083 -16.645 -2.310 290 HA ASN 41 HA ASN 41 -18.700 -16.654 -0.942 291 HB2 ASN 41 HB2 ASN 41 -17.113 -15.253 0.396 292 HB3 ASN 41 HB1 ASN 41 -16.803 -14.256 -1.024 293 HD21 ASN 41 HD21 ASN 41 -19.921 -15.548 0.161 294 HD22 ASN 41 HD22 ASN 41 -20.654 -14.009 0.427 295 H ASN 42 HN ASN 42 -16.792 -14.557 -3.161 296 HA ASN 42 HA ASN 42 -19.230 -14.088 -4.792 297 HB2 ASN 42 HB2 ASN 42 -16.730 -12.380 -4.425 298 HB3 ASN 42 HB1 ASN 42 -18.068 -11.970 -5.497 299 HD21 ASN 42 HD21 ASN 42 -16.921 -10.702 -2.991 300 HD22 ASN 42 HD22 ASN 42 -18.303 -10.422 -1.995 301 H LYS 43 HN LYS 43 -18.966 -13.864 -7.128 302 HA LYS 43 HA LYS 43 -16.702 -15.441 -8.251 303 HB2 LYS 43 HB2 LYS 43 -19.571 -15.259 -9.293 304 HB3 LYS 43 HB1 LYS 43 -18.266 -16.130 -10.084 305 HG2 LYS 43 HG2 LYS 43 -19.520 -17.813 -8.995 306 HG3 LYS 43 HG1 LYS 43 -18.118 -17.566 -7.954 307 HD2 LYS 43 HD2 LYS 43 -19.552 -16.074 -6.509 308 HD3 LYS 43 HD1 LYS 43 -20.935 -16.518 -7.507 309 HE2 LYS 43 HE2 LYS 43 -20.665 -18.875 -6.838 310 HE3 LYS 43 HE1 LYS 43 -19.250 -18.447 -5.870 311 HZ1 LYS 43 HZ1 LYS 43 -20.659 -17.046 -4.496 312 HZ2 LYS 43 HZ2 LYS 43 -21.236 -18.636 -4.506 313 HZ3 LYS 43 HZ3 LYS 43 -22.012 -17.448 -5.425 314 H ASP 44 HN ASP 44 -16.874 -12.566 -7.722 315 HA ASP 44 HA ASP 44 -17.325 -11.260 -10.306 316 HB2 ASP 44 HB2 ASP 44 -16.713 -10.086 -7.555 317 HB3 ASP 44 HB1 ASP 44 -17.129 -9.150 -8.990 318 H CYS 45 HN CYS 45 -15.795 -9.570 -10.994 319 HA CYS 45 HA CYS 45 -13.061 -10.640 -11.070 320 HB2 CYS 45 HB2 CYS 45 -14.199 -10.293 -13.190 321 HB3 CYS 45 HB1 CYS 45 -14.544 -8.622 -12.784 322 H PHE 46 HN PHE 46 -13.564 -9.525 -8.654 323 HA PHE 46 HA PHE 46 -12.693 -8.227 -7.066 324 HB2 PHE 46 HB2 PHE 46 -10.439 -8.253 -9.093 325 HB3 PHE 46 HB1 PHE 46 -10.245 -7.455 -7.537 326 HD1 PHE 46 HD2 PHE 46 -11.144 -10.769 -9.059 327 HD2 PHE 46 HD1 PHE 46 -9.557 -8.710 -5.661 328 HE1 PHE 46 HE2 PHE 46 -10.508 -12.912 -8.038 329 HE2 PHE 46 HE1 PHE 46 -8.936 -10.861 -4.652 330 HZ PHE 46 HZ PHE 46 -9.409 -12.958 -5.840 331 H PHE 47 HN PHE 47 -11.289 -6.309 -9.723 332 HA PHE 47 HA PHE 47 -11.680 -3.875 -8.262 333 HB2 PHE 47 HB2 PHE 47 -10.618 -4.309 -11.094 334 HB3 PHE 47 HB1 PHE 47 -10.475 -2.817 -10.159 335 HD1 PHE 47 HD1 PHE 47 -9.041 -2.757 -8.106 336 HD2 PHE 47 HD2 PHE 47 -9.106 -6.182 -10.676 337 HE1 PHE 47 HE1 PHE 47 -6.978 -3.587 -7.060 338 HE2 PHE 47 HE2 PHE 47 -7.034 -6.993 -9.623 339 HZ PHE 47 HZ PHE 47 -5.971 -5.699 -7.816 340 H CYS 48 HN CYS 48 -12.680 -4.787 -11.590 341 HA CYS 48 HA CYS 48 -14.674 -2.712 -11.740 342 HB2 CYS 48 HB2 CYS 48 -15.132 -3.528 -13.956 343 HB3 CYS 48 HB1 CYS 48 -13.389 -3.678 -13.731 344 H LYS 49 HN LYS 49 -14.604 -5.952 -10.570 345 HA LYS 49 HA LYS 49 -16.045 -7.302 -9.504 346 HB2 LYS 49 HB2 LYS 49 -17.829 -4.838 -9.481 347 HB3 LYS 49 HB1 LYS 49 -18.215 -6.317 -8.607 348 HG2 LYS 49 HG2 LYS 49 -16.256 -6.057 -7.190 349 HG3 LYS 49 HG1 LYS 49 -15.709 -4.667 -8.131 350 HD2 LYS 49 HD2 LYS 49 -16.802 -4.019 -5.975 351 HD3 LYS 49 HD1 LYS 49 -17.600 -3.336 -7.392 352 HE2 LYS 49 HE2 LYS 49 -19.341 -5.097 -7.265 353 HE3 LYS 49 HE1 LYS 49 -18.538 -5.781 -5.848 354 HZ1 LYS 49 HZ1 LYS 49 -20.416 -4.369 -5.265 355 HZ2 LYS 49 HZ2 LYS 49 -19.678 -3.046 -6.016 356 HZ3 LYS 49 HZ3 LYS 49 -18.968 -3.748 -4.652 357 H THR 50 HN THR 50 -16.363 -6.746 -12.586 358 HA THR 50 HA THR 50 -18.961 -7.613 -13.292 359 HB THR 50 HB THR 50 -16.343 -7.972 -14.833 360 HG1 THR 50 HG1 THR 50 -18.174 -5.789 -14.705 361 HG21 THR 50 HG21 THR 50 -19.215 -7.819 -15.852 362 HG22 THR 50 HG22 THR 50 -18.209 -9.271 -15.818 363 HG23 THR 50 HG23 THR 50 -17.764 -7.920 -16.857 364 H THR 51 HN THR 51 -19.850 -9.657 -13.103 365 HA THR 51 HA THR 51 -18.528 -11.767 -11.798 366 HB THR 51 HB THR 51 -21.060 -11.963 -13.493 367 HG1 THR 51 HG1 THR 51 -20.505 -11.039 -10.899 368 HG21 THR 51 HG21 THR 51 -20.105 -14.203 -12.978 369 HG22 THR 51 HG22 THR 51 -21.597 -13.926 -12.081 370 HG23 THR 51 HG23 THR 51 -20.041 -13.784 -11.262 371 H ILE 52 HN ILE 52 -17.172 -13.245 -12.515 372 HA ILE 52 HA ILE 52 -16.090 -13.170 -15.163 373 HB ILE 52 HB ILE 52 -15.469 -15.153 -12.915 374 HG12 ILE 52 HG12 ILE 52 -14.102 -12.460 -13.432 375 HG13 ILE 52 HG11 ILE 52 -15.275 -12.747 -12.151 376 HG21 ILE 52 HG21 ILE 52 -14.540 -15.822 -15.100 377 HG22 ILE 52 HG22 ILE 52 -13.246 -15.349 -14.003 378 HG23 ILE 52 HG23 ILE 52 -13.763 -14.245 -15.280 379 HD11 ILE 52 HD11 ILE 52 -12.615 -14.128 -12.418 380 HD12 ILE 52 HD12 ILE 52 -13.783 -14.337 -11.108 381 HD13 ILE 52 HD13 ILE 52 -12.990 -12.781 -11.347 382 H VAL 53 HN VAL 53 -16.492 -14.537 -16.836 383 HA VAL 53 HA VAL 53 -18.616 -16.497 -16.677 384 HB VAL 53 HB VAL 53 -16.769 -15.773 -19.005 385 HG11 VAL 53 HG11 VAL 53 -19.321 -17.440 -19.037 386 HG12 VAL 53 HG12 VAL 53 -17.686 -18.031 -19.331 387 HG13 VAL 53 HG13 VAL 53 -18.428 -16.909 -20.468 388 HG21 VAL 53 HG21 VAL 53 -18.710 -14.476 -19.857 389 HG22 VAL 53 HG22 VAL 53 -18.172 -13.884 -18.286 390 HG23 VAL 53 HG23 VAL 53 -19.622 -14.884 -18.397 391 H SER 54 HN SER 54 -15.064 -16.543 -17.134 392 HA SER 54 HA SER 54 -14.933 -19.191 -15.917 393 HB2 SER 54 HB2 SER 54 -13.540 -20.138 -17.773 394 HB3 SER 54 HB1 SER 54 -15.185 -19.764 -18.298 395 HG SER 54 HG SER 54 -14.463 -18.058 -19.426 396 H VAL 55 HN VAL 55 -13.193 -19.320 -14.615 397 HA VAL 55 HA VAL 55 -11.025 -17.356 -14.741 398 HB VAL 55 HB VAL 55 -11.408 -19.739 -12.845 399 HG11 VAL 55 HG11 VAL 55 -9.516 -17.361 -12.627 400 HG12 VAL 55 HG12 VAL 55 -9.059 -19.028 -12.979 401 HG13 VAL 55 HG13 VAL 55 -9.739 -18.619 -11.406 402 HG21 VAL 55 HG21 VAL 55 -12.101 -16.803 -12.386 403 HG22 VAL 55 HG22 VAL 55 -12.230 -18.097 -11.189 404 HG23 VAL 55 HG23 VAL 55 -13.256 -18.117 -12.623 405 H GLU 56 HN GLU 56 -9.604 -17.749 -16.317 406 HA GLU 56 HA GLU 56 -9.067 -20.518 -17.212 407 HB2 GLU 56 HB2 GLU 56 -10.025 -18.559 -18.719 408 HB3 GLU 56 HB1 GLU 56 -8.364 -18.003 -18.763 409 HG2 GLU 56 HG2 GLU 56 -9.175 -20.793 -19.631 410 HG3 GLU 56 HG1 GLU 56 -9.194 -19.415 -20.724 411 H ASP 57 HN ASP 57 -6.980 -21.264 -17.282 412 HA ASP 57 HA ASP 57 -5.057 -20.173 -15.465 413 HB2 ASP 57 HB2 ASP 57 -5.359 -22.619 -15.729 414 HB3 ASP 57 HB1 ASP 57 -4.838 -22.526 -17.409 415 H TRP 58 HN TRP 58 -4.243 -18.232 -16.164 416 HA TRP 58 HA TRP 58 -3.434 -17.803 -18.917 417 HB2 TRP 58 HB2 TRP 58 -4.521 -15.971 -17.640 418 HB3 TRP 58 HB1 TRP 58 -3.179 -15.955 -16.501 419 HD1 TRP 58 HD1 TRP 58 -4.005 -15.033 -20.160 420 HE1 TRP 58 HE1 TRP 58 -2.202 -13.420 -21.033 421 HE3 TRP 58 HE3 TRP 58 -0.789 -15.176 -16.187 422 HZ2 TRP 58 HZ2 TRP 58 0.239 -12.342 -20.149 423 HZ3 TRP 58 HZ3 TRP 58 1.260 -13.824 -16.275 424 HH2 TRP 58 HH2 TRP 58 1.768 -12.433 -18.219 425 H GLU 59 HN GLU 59 -1.430 -18.075 -19.686 426 HA GLU 59 HA GLU 59 0.881 -18.061 -17.860 427 HB2 GLU 59 HB2 GLU 59 -0.082 -20.451 -18.754 428 HB3 GLU 59 HB1 GLU 59 0.919 -20.049 -20.138 429 HG2 GLU 59 HG2 GLU 59 1.871 -20.293 -17.262 430 HG3 GLU 59 HG1 GLU 59 2.065 -21.518 -18.511 431 H LYS 60 HN LYS 60 2.686 -17.085 -18.727 432 HA LYS 60 HA LYS 60 2.391 -15.138 -20.732 433 HB2 LYS 60 HB2 LYS 60 4.890 -16.320 -19.461 434 HB3 LYS 60 HB1 LYS 60 4.913 -14.916 -20.527 435 HG2 LYS 60 HG2 LYS 60 3.532 -13.660 -18.934 436 HG3 LYS 60 HG1 LYS 60 3.440 -15.077 -17.884 437 HD2 LYS 60 HD2 LYS 60 5.788 -14.959 -17.364 438 HD3 LYS 60 HD1 LYS 60 6.081 -13.768 -18.635 439 HE2 LYS 60 HE2 LYS 60 4.383 -13.268 -16.169 440 HE3 LYS 60 HE1 LYS 60 6.072 -12.786 -16.350 441 HZ1 LYS 60 HZ1 LYS 60 4.731 -10.928 -16.884 442 HZ2 LYS 60 HZ2 LYS 60 3.762 -11.821 -17.943 443 HZ3 LYS 60 HZ3 LYS 60 5.371 -11.500 -18.341 444 H GLY 61 HN GLY 61 4.060 -18.275 -20.799 445 HA2 GLY 61 HA2 GLY 61 4.274 -19.685 -22.710 446 HA3 GLY 61 HA1 GLY 61 4.086 -18.286 -23.764 Start of MODEL 5 1 H1 SER 1 HT1 SER 1 10.196 1.478 5.839 2 H2 SER 1 HT2 SER 1 11.142 1.636 4.446 3 H3 SER 1 HT3 SER 1 11.304 0.270 5.426 4 HA SER 1 HA SER 1 9.084 -0.427 4.927 5 HB2 SER 1 HB2 SER 1 8.131 1.855 4.559 6 HB3 SER 1 HB1 SER 1 9.019 1.980 3.039 7 HG SER 1 HG SER 1 7.210 -0.125 3.574 8 H HIS 2 HN HIS 2 9.652 -2.255 3.892 9 HA HIS 2 HA HIS 2 11.497 -2.188 1.601 10 HB2 HIS 2 HB2 HIS 2 10.471 -4.534 3.265 11 HB3 HIS 2 HB1 HIS 2 11.623 -4.668 1.935 12 HD2 HIS 2 HD2 HIS 2 11.476 -3.411 5.630 13 HE1 HIS 2 HE1 HIS 2 15.506 -3.474 4.360 14 HE2 HIS 2 HE2 HIS 2 13.957 -3.365 6.359 15 H MET 3 HN MET 3 10.144 -1.408 0.014 16 HA MET 3 HA MET 3 8.392 -3.359 -1.241 17 HB2 MET 3 HB2 MET 3 6.518 -1.684 -1.543 18 HB3 MET 3 HB1 MET 3 6.729 -2.238 0.110 19 HG2 MET 3 HG2 MET 3 7.853 -0.138 0.689 20 HG3 MET 3 HG1 MET 3 7.699 0.412 -0.981 21 HE1 MET 3 HE1 MET 3 6.449 2.673 -0.336 22 HE2 MET 3 HE2 MET 3 6.760 2.235 1.346 23 HE3 MET 3 HE3 MET 3 5.141 2.725 0.844 24 HA PRO 4 HA PRO 4 10.862 -1.020 -4.420 25 HB2 PRO 4 HB2 PRO 4 11.855 -3.217 -5.713 26 HB3 PRO 4 HB1 PRO 4 12.648 -2.521 -4.296 27 HG2 PRO 4 HG2 PRO 4 10.842 -4.920 -4.471 28 HG3 PRO 4 HG1 PRO 4 12.339 -4.715 -3.536 29 HD2 PRO 4 HD2 PRO 4 9.821 -4.478 -2.445 30 HD3 PRO 4 HD1 PRO 4 11.245 -3.637 -1.797 31 H THR 5 HN THR 5 9.539 -0.289 -6.001 32 HA THR 5 HA THR 5 7.154 -1.666 -6.795 33 HB THR 5 HB THR 5 6.979 0.710 -6.677 34 HG1 THR 5 HG1 THR 5 7.029 0.322 -9.471 35 HG21 THR 5 HG21 THR 5 9.305 1.390 -7.041 36 HG22 THR 5 HG22 THR 5 8.222 2.292 -8.101 37 HG23 THR 5 HG23 THR 5 9.184 0.962 -8.750 38 H SER 6 HN SER 6 7.924 -3.587 -7.593 39 HA SER 6 HA SER 6 9.726 -3.802 -9.835 40 HB2 SER 6 HB2 SER 6 8.044 -5.904 -8.405 41 HB3 SER 6 HB1 SER 6 9.348 -6.235 -9.548 42 HG SER 6 HG SER 6 9.870 -4.626 -7.294 43 H GLU 7 HN GLU 7 9.006 -3.229 -11.780 44 HA GLU 7 HA GLU 7 6.204 -3.235 -12.518 45 HB2 GLU 7 HB2 GLU 7 8.667 -2.409 -14.110 46 HB3 GLU 7 HB1 GLU 7 6.998 -2.092 -14.576 47 HG2 GLU 7 HG2 GLU 7 6.694 -0.658 -12.592 48 HG3 GLU 7 HG1 GLU 7 8.346 -1.002 -12.085 49 H GLU 8 HN GLU 8 5.951 -5.519 -12.364 50 HA GLU 8 HA GLU 8 6.538 -6.967 -14.877 51 HB2 GLU 8 HB2 GLU 8 6.595 -8.114 -12.036 52 HB3 GLU 8 HB1 GLU 8 6.748 -9.068 -13.509 53 HG2 GLU 8 HG2 GLU 8 8.883 -8.062 -14.028 54 HG3 GLU 8 HG1 GLU 8 8.708 -6.889 -12.726 55 H ASP 9 HN ASP 9 4.961 -9.089 -14.672 56 HA ASP 9 HA ASP 9 2.238 -8.100 -14.263 57 HB2 ASP 9 HB2 ASP 9 3.235 -10.825 -15.223 58 HB3 ASP 9 HB1 ASP 9 1.548 -10.324 -15.172 59 H LEU 10 HN LEU 10 3.332 -7.869 -11.928 60 HA LEU 10 HA LEU 10 2.942 -10.192 -10.240 61 HB2 LEU 10 HB2 LEU 10 3.754 -7.339 -9.611 62 HB3 LEU 10 HB1 LEU 10 3.565 -8.578 -8.381 63 HG LEU 10 HG LEU 10 5.572 -8.695 -10.669 64 HD11 LEU 10 HD11 LEU 10 6.080 -8.114 -7.737 65 HD12 LEU 10 HD12 LEU 10 6.185 -6.947 -9.057 66 HD13 LEU 10 HD13 LEU 10 7.311 -8.300 -8.989 67 HD21 LEU 10 HD21 LEU 10 5.237 -10.566 -8.295 68 HD22 LEU 10 HD22 LEU 10 6.539 -10.637 -9.484 69 HD23 LEU 10 HD23 LEU 10 4.880 -10.948 -9.981 70 H CYS 11 HN CYS 11 1.315 -10.454 -8.793 71 HA CYS 11 HA CYS 11 -1.266 -9.605 -9.458 72 HB2 CYS 11 HB2 CYS 11 -0.761 -11.704 -8.198 73 HB3 CYS 11 HB1 CYS 11 -0.252 -10.740 -6.818 74 HA PRO 12 HA PRO 12 -0.814 -5.379 -7.768 75 HB2 PRO 12 HB2 PRO 12 -3.494 -4.602 -8.027 76 HB3 PRO 12 HB1 PRO 12 -2.302 -4.556 -9.330 77 HG2 PRO 12 HG2 PRO 12 -4.347 -6.681 -8.709 78 HG3 PRO 12 HG1 PRO 12 -3.909 -5.981 -10.284 79 HD2 PRO 12 HD2 PRO 12 -2.975 -8.387 -9.545 80 HD3 PRO 12 HD1 PRO 12 -1.930 -7.254 -10.428 81 H ILE 13 HN ILE 13 -2.995 -7.749 -6.477 82 HA ILE 13 HA ILE 13 -3.689 -6.357 -4.045 83 HB ILE 13 HB ILE 13 -4.022 -9.273 -4.885 84 HG12 ILE 13 HG12 ILE 13 -6.084 -7.005 -4.908 85 HG13 ILE 13 HG11 ILE 13 -5.253 -7.618 -6.331 86 HG21 ILE 13 HG21 ILE 13 -5.707 -9.466 -3.063 87 HG22 ILE 13 HG22 ILE 13 -5.309 -7.833 -2.524 88 HG23 ILE 13 HG23 ILE 13 -4.097 -9.111 -2.431 89 HD11 ILE 13 HD11 ILE 13 -7.175 -9.183 -4.607 90 HD12 ILE 13 HD12 ILE 13 -6.358 -9.778 -6.055 91 HD13 ILE 13 HD13 ILE 13 -7.520 -8.459 -6.178 92 H CYS 14 HN CYS 14 -1.291 -8.798 -5.032 93 HA CYS 14 HA CYS 14 -0.441 -9.282 -2.236 94 HB2 CYS 14 HB2 CYS 14 0.049 -10.942 -4.740 95 HB3 CYS 14 HB1 CYS 14 0.577 -11.367 -3.114 96 H TYR 15 HN TYR 15 0.973 -9.020 -5.469 97 HA TYR 15 HA TYR 15 2.597 -7.811 -6.388 98 HB2 TYR 15 HB2 TYR 15 2.137 -6.164 -4.286 99 HB3 TYR 15 HB1 TYR 15 3.757 -6.681 -3.842 100 HD1 TYR 15 HD2 TYR 15 5.710 -6.147 -5.398 101 HD2 TYR 15 HD1 TYR 15 1.769 -4.648 -6.128 102 HE1 TYR 15 HE2 TYR 15 6.625 -4.489 -6.968 103 HE2 TYR 15 HE1 TYR 15 2.689 -3.002 -7.697 104 HH TYR 15 HH TYR 15 5.790 -3.184 -8.941 105 H ALA 16 HN ALA 16 3.402 -9.655 -3.481 106 HA ALA 16 HA ALA 16 6.139 -10.142 -4.097 107 HB1 ALA 16 HB1 ALA 16 6.021 -11.818 -2.308 108 HB2 ALA 16 HB2 ALA 16 4.258 -11.724 -2.311 109 HB3 ALA 16 HB3 ALA 16 5.214 -10.327 -1.818 110 H HIS 17 HN HIS 17 3.134 -11.759 -4.952 111 HA HIS 17 HA HIS 17 4.587 -13.786 -6.554 112 HB2 HIS 17 HB2 HIS 17 1.923 -13.999 -5.093 113 HB3 HIS 17 HB1 HIS 17 2.343 -15.100 -6.397 114 HD1 HIS 17 HD1 HIS 17 1.874 -15.949 -3.375 115 HD2 HIS 17 HD2 HIS 17 5.578 -15.423 -5.199 116 HE1 HIS 17 HE1 HIS 17 3.477 -17.389 -2.093 117 HE2 HIS 17 HE2 HIS 17 5.668 -17.168 -3.302 118 HA PRO 18 HA PRO 18 2.884 -11.819 -10.103 119 HB2 PRO 18 HB2 PRO 18 3.137 -13.673 -12.015 120 HB3 PRO 18 HB1 PRO 18 4.563 -13.088 -11.144 121 HG2 PRO 18 HG2 PRO 18 2.952 -15.593 -10.643 122 HG3 PRO 18 HG1 PRO 18 4.715 -15.423 -10.809 123 HD2 PRO 18 HD2 PRO 18 3.459 -15.505 -8.371 124 HD3 PRO 18 HD1 PRO 18 4.967 -14.604 -8.640 125 H ILE 19 HN ILE 19 1.436 -12.583 -12.179 126 HA ILE 19 HA ILE 19 -1.239 -13.251 -11.229 127 HB ILE 19 HB ILE 19 -0.140 -12.533 -13.984 128 HG12 ILE 19 HG12 ILE 19 -1.931 -10.870 -12.134 129 HG13 ILE 19 HG11 ILE 19 -0.189 -10.669 -12.266 130 HG21 ILE 19 HG21 ILE 19 -2.096 -14.013 -14.257 131 HG22 ILE 19 HG22 ILE 19 -2.465 -12.377 -14.790 132 HG23 ILE 19 HG23 ILE 19 -3.061 -12.948 -13.231 133 HD11 ILE 19 HD11 ILE 19 -2.187 -10.211 -14.481 134 HD12 ILE 19 HD12 ILE 19 -0.440 -9.999 -14.607 135 HD13 ILE 19 HD13 ILE 19 -1.377 -8.973 -13.523 136 H SER 20 HN SER 20 -2.344 -15.114 -11.829 137 HA SER 20 HA SER 20 -0.886 -17.262 -13.236 138 HB2 SER 20 HB2 SER 20 -2.672 -17.705 -10.815 139 HB3 SER 20 HB1 SER 20 -1.576 -18.857 -11.566 140 HG SER 20 HG SER 20 0.167 -17.661 -10.800 141 H ALA 21 HN ALA 21 -3.794 -15.405 -12.889 142 HA ALA 21 HA ALA 21 -5.364 -17.299 -14.520 143 HB1 ALA 21 HB1 ALA 21 -7.308 -17.088 -13.018 144 HB2 ALA 21 HB2 ALA 21 -6.366 -16.085 -11.912 145 HB3 ALA 21 HB3 ALA 21 -5.928 -17.777 -12.162 146 H VAL 22 HN VAL 22 -6.485 -16.348 -16.082 147 HA VAL 22 HA VAL 22 -7.092 -13.456 -16.032 148 HB VAL 22 HB VAL 22 -5.771 -14.117 -17.988 149 HG11 VAL 22 HG11 VAL 22 -6.600 -15.657 -19.723 150 HG12 VAL 22 HG12 VAL 22 -7.986 -16.065 -18.710 151 HG13 VAL 22 HG13 VAL 22 -6.354 -16.482 -18.183 152 HG21 VAL 22 HG21 VAL 22 -8.633 -13.464 -18.803 153 HG22 VAL 22 HG22 VAL 22 -7.197 -13.219 -19.800 154 HG23 VAL 22 HG23 VAL 22 -7.397 -12.300 -18.310 155 H PHE 23 HN PHE 23 -9.211 -12.767 -16.368 156 HA PHE 23 HA PHE 23 -11.247 -14.783 -15.616 157 HB2 PHE 23 HB2 PHE 23 -11.418 -11.771 -15.181 158 HB3 PHE 23 HB1 PHE 23 -12.417 -13.022 -14.444 159 HD1 PHE 23 HD1 PHE 23 -10.233 -14.971 -13.608 160 HD2 PHE 23 HD2 PHE 23 -10.491 -10.708 -13.278 161 HE1 PHE 23 HE1 PHE 23 -8.709 -15.020 -11.685 162 HE2 PHE 23 HE2 PHE 23 -8.965 -10.776 -11.357 163 HZ PHE 23 HZ PHE 23 -8.070 -12.928 -10.567 164 H GLN 24 HN GLN 24 -11.895 -15.434 -17.650 165 HA GLN 24 HA GLN 24 -12.671 -13.711 -19.775 166 HB2 GLN 24 HB2 GLN 24 -13.011 -16.643 -19.156 167 HB3 GLN 24 HB1 GLN 24 -14.030 -15.951 -20.418 168 HG2 GLN 24 HG2 GLN 24 -12.040 -15.191 -21.630 169 HG3 GLN 24 HG1 GLN 24 -11.001 -15.850 -20.363 170 HE21 GLN 24 HE21 GLN 24 -9.959 -17.135 -21.961 171 HE22 GLN 24 HE22 GLN 24 -10.694 -18.573 -22.574 172 HA PRO 25 HA PRO 25 -14.090 -13.424 -21.405 173 HB2 PRO 25 HB2 PRO 25 -16.115 -11.401 -21.998 174 HB3 PRO 25 HB1 PRO 25 -15.996 -13.046 -22.629 175 HG2 PRO 25 HG2 PRO 25 -18.008 -12.220 -20.924 176 HG3 PRO 25 HG1 PRO 25 -17.450 -13.900 -21.051 177 HD2 PRO 25 HD2 PRO 25 -16.668 -11.807 -19.014 178 HD3 PRO 25 HD1 PRO 25 -17.148 -13.503 -18.756 179 H CYS 26 HN CYS 26 -13.997 -11.422 -18.742 180 HA CYS 26 HA CYS 26 -13.852 -8.818 -19.816 181 HB2 CYS 26 HB2 CYS 26 -14.425 -9.189 -17.471 182 HB3 CYS 26 HB1 CYS 26 -12.810 -9.817 -17.149 183 H GLY 27 HN GLY 27 -11.137 -10.797 -18.516 184 HA2 GLY 27 HA2 GLY 27 -9.059 -10.904 -19.771 185 HA3 GLY 27 HA1 GLY 27 -9.253 -9.214 -20.187 186 H HIS 28 HN HIS 28 -10.163 -8.903 -17.156 187 HA HIS 28 HA HIS 28 -7.671 -8.070 -16.102 188 HB2 HIS 28 HB2 HIS 28 -10.400 -8.422 -14.858 189 HB3 HIS 28 HB1 HIS 28 -9.020 -8.151 -13.799 190 HD2 HIS 28 HD2 HIS 28 -7.509 -5.742 -15.319 191 HE1 HIS 28 HE1 HIS 28 -11.262 -3.820 -15.138 192 HE2 HIS 28 HE2 HIS 28 -8.797 -3.522 -15.615 193 H LYS 29 HN LYS 29 -6.854 -8.900 -13.897 194 HA LYS 29 HA LYS 29 -6.467 -11.782 -13.963 195 HB2 LYS 29 HB2 LYS 29 -4.575 -9.778 -15.205 196 HB3 LYS 29 HB1 LYS 29 -3.900 -11.208 -14.442 197 HG2 LYS 29 HG2 LYS 29 -5.042 -12.672 -15.958 198 HG3 LYS 29 HG1 LYS 29 -6.020 -11.355 -16.602 199 HD2 LYS 29 HD2 LYS 29 -3.002 -11.474 -16.885 200 HD3 LYS 29 HD1 LYS 29 -4.115 -12.149 -18.074 201 HE2 LYS 29 HE2 LYS 29 -5.127 -9.923 -18.385 202 HE3 LYS 29 HE1 LYS 29 -3.974 -9.243 -17.233 203 HZ1 LYS 29 HZ1 LYS 29 -2.184 -9.862 -18.699 204 HZ2 LYS 29 HZ2 LYS 29 -3.307 -8.917 -19.539 205 HZ3 LYS 29 HZ3 LYS 29 -3.264 -10.590 -19.777 206 H SER 30 HN SER 30 -5.526 -12.603 -12.187 207 HA SER 30 HA SER 30 -3.730 -11.101 -10.481 208 HB2 SER 30 HB2 SER 30 -4.958 -11.293 -8.395 209 HB3 SER 30 HB1 SER 30 -6.056 -10.534 -9.550 210 HG SER 30 HG SER 30 -6.767 -12.846 -9.898 211 H CYS 31 HN CYS 31 -3.275 -12.737 -8.454 212 HA CYS 31 HA CYS 31 -2.153 -15.097 -9.647 213 HB2 CYS 31 HB2 CYS 31 -1.205 -15.559 -7.480 214 HB3 CYS 31 HB1 CYS 31 -1.119 -13.816 -7.702 215 H LYS 32 HN LYS 32 -2.533 -17.303 -8.799 216 HA LYS 32 HA LYS 32 -5.141 -18.260 -9.021 217 HB2 LYS 32 HB2 LYS 32 -3.147 -19.655 -9.359 218 HB3 LYS 32 HB1 LYS 32 -2.709 -19.495 -7.664 219 HG2 LYS 32 HG2 LYS 32 -4.994 -20.669 -7.172 220 HG3 LYS 32 HG1 LYS 32 -4.966 -21.112 -8.878 221 HD2 LYS 32 HD2 LYS 32 -2.864 -21.834 -6.801 222 HD3 LYS 32 HD1 LYS 32 -4.063 -22.928 -7.486 223 HE2 LYS 32 HE2 LYS 32 -3.032 -22.794 -9.665 224 HE3 LYS 32 HE1 LYS 32 -1.915 -21.537 -9.120 225 HZ1 LYS 32 HZ1 LYS 32 -0.956 -23.144 -7.584 226 HZ2 LYS 32 HZ2 LYS 32 -0.860 -23.696 -9.180 227 HZ3 LYS 32 HZ3 LYS 32 -2.026 -24.330 -8.136 228 H ALA 33 HN ALA 33 -3.215 -17.499 -6.141 229 HA ALA 33 HA ALA 33 -4.764 -18.610 -4.124 230 HB1 ALA 33 HB1 ALA 33 -2.463 -17.808 -3.806 231 HB2 ALA 33 HB2 ALA 33 -3.545 -17.113 -2.600 232 HB3 ALA 33 HB3 ALA 33 -3.006 -16.137 -3.970 233 H CYS 34 HN CYS 34 -4.937 -15.317 -5.496 234 HA CYS 34 HA CYS 34 -6.911 -14.252 -3.775 235 HB2 CYS 34 HB2 CYS 34 -5.984 -13.439 -6.547 236 HB3 CYS 34 HB1 CYS 34 -7.356 -12.639 -5.802 237 H ILE 35 HN ILE 35 -7.233 -15.707 -7.044 238 HA ILE 35 HA ILE 35 -10.072 -15.285 -7.126 239 HB ILE 35 HB ILE 35 -8.731 -15.209 -9.190 240 HG12 ILE 35 HG12 ILE 35 -10.228 -16.576 -10.659 241 HG13 ILE 35 HG11 ILE 35 -10.811 -17.458 -9.252 242 HG21 ILE 35 HG21 ILE 35 -7.824 -17.240 -10.248 243 HG22 ILE 35 HG22 ILE 35 -8.283 -18.191 -8.834 244 HG23 ILE 35 HG23 ILE 35 -7.061 -16.926 -8.688 245 HD11 ILE 35 HD11 ILE 35 -11.186 -14.502 -9.756 246 HD12 ILE 35 HD12 ILE 35 -11.811 -15.407 -8.374 247 HD13 ILE 35 HD13 ILE 35 -12.394 -15.763 -9.998 248 H ASN 36 HN ASN 36 -8.023 -17.928 -6.115 249 HA ASN 36 HA ASN 36 -9.926 -20.055 -6.184 250 HB2 ASN 36 HB2 ASN 36 -7.399 -20.308 -5.983 251 HB3 ASN 36 HB1 ASN 36 -7.516 -19.757 -4.318 252 HD21 ASN 36 HD21 ASN 36 -6.482 -22.267 -5.333 253 HD22 ASN 36 HD22 ASN 36 -7.400 -23.522 -4.581 254 H GLN 37 HN GLN 37 -8.749 -17.954 -3.565 255 HA GLN 37 HA GLN 37 -10.633 -18.743 -1.582 256 HB2 GLN 37 HB2 GLN 37 -8.810 -16.320 -1.828 257 HB3 GLN 37 HB1 GLN 37 -9.755 -16.684 -0.389 258 HG2 GLN 37 HG2 GLN 37 -8.539 -18.800 -0.087 259 HG3 GLN 37 HG1 GLN 37 -7.630 -18.510 -1.568 260 HE21 GLN 37 HE21 GLN 37 -8.356 -16.040 0.880 261 HE22 GLN 37 HE22 GLN 37 -6.719 -15.820 1.387 262 H HIS 38 HN HIS 38 -10.705 -16.402 -4.161 263 HA HIS 38 HA HIS 38 -12.864 -14.786 -3.214 264 HB2 HIS 38 HB2 HIS 38 -11.217 -14.025 -4.932 265 HB3 HIS 38 HB1 HIS 38 -11.867 -15.200 -6.070 266 HD2 HIS 38 HD2 HIS 38 -14.292 -14.484 -7.276 267 HE1 HIS 38 HE1 HIS 38 -14.342 -10.576 -5.674 268 HE2 HIS 38 HE2 HIS 38 -15.150 -12.065 -7.536 269 H LEU 39 HN LEU 39 -12.623 -17.649 -5.335 270 HA LEU 39 HA LEU 39 -15.429 -17.709 -6.003 271 HB2 LEU 39 HB2 LEU 39 -13.183 -19.711 -6.426 272 HB3 LEU 39 HB1 LEU 39 -14.829 -20.003 -6.970 273 HG LEU 39 HG LEU 39 -13.096 -17.674 -7.897 274 HD11 LEU 39 HD11 LEU 39 -13.755 -20.240 -9.370 275 HD12 LEU 39 HD12 LEU 39 -12.178 -19.764 -8.743 276 HD13 LEU 39 HD13 LEU 39 -12.914 -18.846 -10.054 277 HD21 LEU 39 HD21 LEU 39 -15.820 -18.582 -8.905 278 HD22 LEU 39 HD22 LEU 39 -14.838 -17.292 -9.603 279 HD23 LEU 39 HD23 LEU 39 -15.489 -17.118 -7.976 280 H MET 40 HN MET 40 -13.892 -18.487 -3.156 281 HA MET 40 HA MET 40 -15.764 -20.487 -2.203 282 HB2 MET 40 HB2 MET 40 -13.969 -18.569 -0.637 283 HB3 MET 40 HB1 MET 40 -14.803 -19.963 0.035 284 HG2 MET 40 HG2 MET 40 -13.417 -21.476 -1.272 285 HG3 MET 40 HG1 MET 40 -12.654 -20.115 -2.090 286 HE1 MET 40 HE1 MET 40 -13.566 -20.623 1.734 287 HE2 MET 40 HE2 MET 40 -12.003 -21.123 2.379 288 HE3 MET 40 HE3 MET 40 -12.878 -22.185 1.275 289 H ASN 41 HN ASN 41 -15.512 -16.984 -2.339 290 HA ASN 41 HA ASN 41 -17.948 -16.576 -0.705 291 HB2 ASN 41 HB2 ASN 41 -15.930 -15.464 0.164 292 HB3 ASN 41 HB1 ASN 41 -15.657 -14.676 -1.384 293 HD21 ASN 41 HD21 ASN 41 -18.781 -14.991 0.293 294 HD22 ASN 41 HD22 ASN 41 -18.986 -13.298 0.563 295 H ASN 42 HN ASN 42 -16.359 -14.712 -3.319 296 HA ASN 42 HA ASN 42 -18.986 -14.075 -4.524 297 HB2 ASN 42 HB2 ASN 42 -16.286 -12.674 -4.808 298 HB3 ASN 42 HB1 ASN 42 -17.797 -12.126 -5.528 299 HD21 ASN 42 HD21 ASN 42 -15.942 -10.866 -3.565 300 HD22 ASN 42 HD22 ASN 42 -16.955 -10.390 -2.250 301 H LYS 43 HN LYS 43 -18.299 -13.310 -7.037 302 HA LYS 43 HA LYS 43 -16.591 -15.285 -8.367 303 HB2 LYS 43 HB2 LYS 43 -18.425 -15.942 -9.963 304 HB3 LYS 43 HB1 LYS 43 -18.728 -16.477 -8.314 305 HG2 LYS 43 HG2 LYS 43 -20.304 -14.623 -7.964 306 HG3 LYS 43 HG1 LYS 43 -19.982 -14.021 -9.593 307 HD2 LYS 43 HD2 LYS 43 -20.898 -16.119 -10.547 308 HD3 LYS 43 HD1 LYS 43 -21.220 -16.719 -8.919 309 HE2 LYS 43 HE2 LYS 43 -22.807 -14.861 -8.552 310 HE3 LYS 43 HE1 LYS 43 -22.488 -14.264 -10.183 311 HZ1 LYS 43 HZ1 LYS 43 -23.681 -16.893 -9.488 312 HZ2 LYS 43 HZ2 LYS 43 -23.350 -16.355 -11.053 313 HZ3 LYS 43 HZ3 LYS 43 -24.508 -15.557 -10.117 314 H ASP 44 HN ASP 44 -16.761 -12.332 -7.860 315 HA ASP 44 HA ASP 44 -17.272 -11.175 -10.521 316 HB2 ASP 44 HB2 ASP 44 -16.810 -9.821 -7.827 317 HB3 ASP 44 HB1 ASP 44 -17.239 -8.993 -9.326 318 H CYS 45 HN CYS 45 -15.808 -9.330 -11.143 319 HA CYS 45 HA CYS 45 -13.111 -10.459 -11.388 320 HB2 CYS 45 HB2 CYS 45 -14.445 -9.995 -13.405 321 HB3 CYS 45 HB1 CYS 45 -14.559 -8.298 -12.965 322 H PHE 46 HN PHE 46 -13.722 -9.163 -8.924 323 HA PHE 46 HA PHE 46 -12.779 -7.900 -7.358 324 HB2 PHE 46 HB2 PHE 46 -10.440 -7.938 -9.299 325 HB3 PHE 46 HB1 PHE 46 -10.319 -7.366 -7.642 326 HD1 PHE 46 HD2 PHE 46 -10.793 -10.372 -9.772 327 HD2 PHE 46 HD1 PHE 46 -10.236 -8.945 -5.776 328 HE1 PHE 46 HE2 PHE 46 -10.294 -12.659 -9.016 329 HE2 PHE 46 HE1 PHE 46 -9.741 -11.237 -5.037 330 HZ PHE 46 HZ PHE 46 -9.766 -13.091 -6.651 331 H PHE 47 HN PHE 47 -11.236 -6.143 -10.074 332 HA PHE 47 HA PHE 47 -11.573 -3.652 -8.658 333 HB2 PHE 47 HB2 PHE 47 -10.245 -4.250 -11.341 334 HB3 PHE 47 HB1 PHE 47 -10.095 -2.738 -10.443 335 HD1 PHE 47 HD1 PHE 47 -9.025 -2.814 -8.098 336 HD2 PHE 47 HD2 PHE 47 -8.778 -6.099 -10.836 337 HE1 PHE 47 HE1 PHE 47 -7.158 -3.761 -6.803 338 HE2 PHE 47 HE2 PHE 47 -6.904 -7.027 -9.535 339 HZ PHE 47 HZ PHE 47 -6.097 -5.863 -7.521 340 H CYS 48 HN CYS 48 -12.384 -4.609 -12.071 341 HA CYS 48 HA CYS 48 -14.142 -2.361 -12.433 342 HB2 CYS 48 HB2 CYS 48 -14.637 -3.213 -14.611 343 HB3 CYS 48 HB1 CYS 48 -12.946 -3.621 -14.324 344 H LYS 49 HN LYS 49 -14.521 -5.519 -11.112 345 HA LYS 49 HA LYS 49 -16.157 -6.639 -10.072 346 HB2 LYS 49 HB2 LYS 49 -16.325 -4.117 -9.141 347 HB3 LYS 49 HB1 LYS 49 -17.902 -4.175 -9.896 348 HG2 LYS 49 HG2 LYS 49 -16.973 -6.155 -7.795 349 HG3 LYS 49 HG1 LYS 49 -17.849 -4.678 -7.418 350 HD2 LYS 49 HD2 LYS 49 -19.761 -5.498 -8.784 351 HD3 LYS 49 HD1 LYS 49 -18.872 -6.987 -9.105 352 HE2 LYS 49 HE2 LYS 49 -18.890 -7.488 -6.668 353 HE3 LYS 49 HE1 LYS 49 -19.835 -6.020 -6.389 354 HZ1 LYS 49 HZ1 LYS 49 -20.676 -8.328 -8.065 355 HZ2 LYS 49 HZ2 LYS 49 -21.580 -6.926 -7.796 356 HZ3 LYS 49 HZ3 LYS 49 -21.251 -7.975 -6.510 357 H THR 50 HN THR 50 -16.198 -6.627 -12.939 358 HA THR 50 HA THR 50 -19.001 -7.108 -13.616 359 HB THR 50 HB THR 50 -16.501 -7.868 -15.215 360 HG1 THR 50 HG1 THR 50 -17.429 -5.826 -16.387 361 HG21 THR 50 HG21 THR 50 -18.556 -9.046 -15.948 362 HG22 THR 50 HG22 THR 50 -18.038 -7.871 -17.156 363 HG23 THR 50 HG23 THR 50 -19.397 -7.500 -16.094 364 H THR 51 HN THR 51 -19.955 -9.183 -13.556 365 HA THR 51 HA THR 51 -18.764 -11.139 -11.862 366 HB THR 51 HB THR 51 -21.215 -11.455 -13.658 367 HG1 THR 51 HG1 THR 51 -20.868 -10.373 -11.039 368 HG21 THR 51 HG21 THR 51 -20.385 -13.610 -12.739 369 HG22 THR 51 HG22 THR 51 -21.923 -13.150 -12.008 370 HG23 THR 51 HG23 THR 51 -20.418 -12.929 -11.112 371 H ILE 52 HN ILE 52 -17.310 -12.652 -12.393 372 HA ILE 52 HA ILE 52 -16.293 -13.103 -15.020 373 HB ILE 52 HB ILE 52 -15.870 -14.823 -12.525 374 HG12 ILE 52 HG12 ILE 52 -14.126 -12.490 -13.471 375 HG13 ILE 52 HG11 ILE 52 -15.283 -12.393 -12.148 376 HG21 ILE 52 HG21 ILE 52 -14.130 -14.572 -15.017 377 HG22 ILE 52 HG22 ILE 52 -15.132 -15.959 -14.588 378 HG23 ILE 52 HG23 ILE 52 -13.749 -15.532 -13.584 379 HD11 ILE 52 HD11 ILE 52 -12.844 -14.165 -12.228 380 HD12 ILE 52 HD12 ILE 52 -14.008 -14.063 -10.903 381 HD13 ILE 52 HD13 ILE 52 -13.029 -12.661 -11.327 382 H VAL 53 HN VAL 53 -16.939 -14.562 -16.540 383 HA VAL 53 HA VAL 53 -19.061 -16.487 -15.967 384 HB VAL 53 HB VAL 53 -17.643 -15.806 -18.583 385 HG11 VAL 53 HG11 VAL 53 -19.461 -17.055 -19.723 386 HG12 VAL 53 HG12 VAL 53 -20.095 -17.562 -18.156 387 HG13 VAL 53 HG13 VAL 53 -18.502 -18.107 -18.680 388 HG21 VAL 53 HG21 VAL 53 -19.735 -14.607 -19.148 389 HG22 VAL 53 HG22 VAL 53 -18.980 -13.942 -17.700 390 HG23 VAL 53 HG23 VAL 53 -20.391 -14.994 -17.556 391 H SER 54 HN SER 54 -15.612 -16.462 -16.885 392 HA SER 54 HA SER 54 -15.277 -19.187 -15.897 393 HB2 SER 54 HB2 SER 54 -15.914 -19.492 -18.307 394 HB3 SER 54 HB1 SER 54 -14.537 -18.490 -18.777 395 HG SER 54 HG SER 54 -14.336 -20.915 -17.287 396 H VAL 55 HN VAL 55 -13.256 -19.561 -15.122 397 HA VAL 55 HA VAL 55 -11.211 -17.431 -15.353 398 HB VAL 55 HB VAL 55 -11.375 -19.661 -13.261 399 HG11 VAL 55 HG11 VAL 55 -9.089 -18.810 -13.611 400 HG12 VAL 55 HG12 VAL 55 -9.694 -18.347 -12.021 401 HG13 VAL 55 HG13 VAL 55 -9.643 -17.157 -13.325 402 HG21 VAL 55 HG21 VAL 55 -12.167 -17.940 -11.667 403 HG22 VAL 55 HG22 VAL 55 -13.299 -18.145 -13.001 404 HG23 VAL 55 HG23 VAL 55 -12.223 -16.748 -12.969 405 H GLU 56 HN GLU 56 -9.410 -17.888 -16.441 406 HA GLU 56 HA GLU 56 -8.679 -20.675 -17.155 407 HB2 GLU 56 HB2 GLU 56 -8.302 -18.105 -18.756 408 HB3 GLU 56 HB1 GLU 56 -7.620 -19.656 -19.216 409 HG2 GLU 56 HG2 GLU 56 -10.590 -19.121 -18.954 410 HG3 GLU 56 HG1 GLU 56 -9.696 -19.018 -20.467 411 H ASP 57 HN ASP 57 -6.374 -21.095 -17.295 412 HA ASP 57 HA ASP 57 -4.740 -19.617 -15.393 413 HB2 ASP 57 HB2 ASP 57 -4.064 -22.023 -17.158 414 HB3 ASP 57 HB1 ASP 57 -2.975 -21.335 -15.959 415 H TRP 58 HN TRP 58 -3.925 -17.704 -16.097 416 HA TRP 58 HA TRP 58 -3.220 -17.239 -18.884 417 HB2 TRP 58 HB2 TRP 58 -4.331 -15.473 -17.496 418 HB3 TRP 58 HB1 TRP 58 -2.904 -15.405 -16.467 419 HD1 TRP 58 HD1 TRP 58 -3.894 -14.718 -20.168 420 HE1 TRP 58 HE1 TRP 58 -2.345 -12.891 -21.098 421 HE3 TRP 58 HE3 TRP 58 -0.761 -14.165 -16.153 422 HZ2 TRP 58 HZ2 TRP 58 -0.120 -11.405 -20.250 423 HZ3 TRP 58 HZ3 TRP 58 1.053 -12.511 -16.296 424 HH2 TRP 58 HH2 TRP 58 1.369 -11.156 -18.306 425 H GLU 59 HN GLU 59 -1.373 -18.206 -19.501 426 HA GLU 59 HA GLU 59 1.080 -17.870 -17.859 427 HB2 GLU 59 HB2 GLU 59 0.440 -20.222 -18.300 428 HB3 GLU 59 HB1 GLU 59 0.487 -19.920 -20.035 429 HG2 GLU 59 HG2 GLU 59 2.904 -19.510 -19.941 430 HG3 GLU 59 HG1 GLU 59 2.892 -19.663 -18.185 431 H LYS 60 HN LYS 60 2.268 -16.231 -18.549 432 HA LYS 60 HA LYS 60 2.036 -15.076 -21.195 433 HB2 LYS 60 HB2 LYS 60 2.301 -13.674 -19.162 434 HB3 LYS 60 HB1 LYS 60 3.879 -14.389 -18.864 435 HG2 LYS 60 HG2 LYS 60 4.667 -13.409 -21.064 436 HG3 LYS 60 HG1 LYS 60 3.108 -12.591 -21.197 437 HD2 LYS 60 HD2 LYS 60 4.807 -11.046 -20.297 438 HD3 LYS 60 HD1 LYS 60 3.566 -11.366 -19.082 439 HE2 LYS 60 HE2 LYS 60 5.078 -13.044 -18.026 440 HE3 LYS 60 HE1 LYS 60 6.321 -12.637 -19.206 441 HZ1 LYS 60 HZ1 LYS 60 6.665 -11.492 -17.125 442 HZ2 LYS 60 HZ2 LYS 60 5.139 -10.775 -17.232 443 HZ3 LYS 60 HZ3 LYS 60 6.330 -10.382 -18.360 444 H GLY 61 HN GLY 61 3.134 -15.924 -22.896 445 HA2 GLY 61 HA2 GLY 61 5.552 -17.503 -22.638 446 HA3 GLY 61 HA1 GLY 61 4.757 -17.026 -24.133 Start of MODEL 6 1 H1 SER 1 HT1 SER 1 10.742 -0.070 -0.843 2 H2 SER 1 HT2 SER 1 11.915 1.020 -1.375 3 H3 SER 1 HT3 SER 1 11.109 1.296 0.086 4 HA SER 1 HA SER 1 13.319 0.491 0.492 5 HB2 SER 1 HB2 SER 1 11.171 -1.576 1.142 6 HB3 SER 1 HB1 SER 1 12.714 -1.402 1.984 7 HG SER 1 HG SER 1 11.414 -0.223 3.215 8 H HIS 2 HN HIS 2 11.468 -1.533 -1.713 9 HA HIS 2 HA HIS 2 13.525 -3.584 -1.901 10 HB2 HIS 2 HB2 HIS 2 11.054 -4.117 -1.789 11 HB3 HIS 2 HB1 HIS 2 10.864 -3.389 -3.379 12 HD2 HIS 2 HD2 HIS 2 11.536 -5.011 -5.504 13 HE1 HIS 2 HE1 HIS 2 12.880 -8.272 -3.174 14 HE2 HIS 2 HE2 HIS 2 12.456 -7.429 -5.518 15 H MET 3 HN MET 3 15.097 -3.515 -3.358 16 HA MET 3 HA MET 3 15.261 -1.615 -5.496 17 HB2 MET 3 HB2 MET 3 17.027 -3.973 -4.706 18 HB3 MET 3 HB1 MET 3 17.422 -2.879 -6.028 19 HG2 MET 3 HG2 MET 3 17.415 -0.984 -4.388 20 HG3 MET 3 HG1 MET 3 17.175 -2.162 -3.094 21 HE1 MET 3 HE1 MET 3 19.402 -0.933 -2.003 22 HE2 MET 3 HE2 MET 3 19.668 0.045 -3.446 23 HE3 MET 3 HE3 MET 3 20.978 -0.939 -2.797 24 HA PRO 4 HA PRO 4 13.069 -3.523 -8.777 25 HB2 PRO 4 HB2 PRO 4 15.385 -2.892 -10.609 26 HB3 PRO 4 HB1 PRO 4 13.668 -2.489 -10.783 27 HG2 PRO 4 HG2 PRO 4 15.389 -0.615 -10.012 28 HG3 PRO 4 HG1 PRO 4 13.796 -0.731 -9.227 29 HD2 PRO 4 HD2 PRO 4 16.482 -1.683 -8.215 30 HD3 PRO 4 HD1 PRO 4 15.183 -0.847 -7.337 31 H THR 5 HN THR 5 13.159 -5.670 -8.027 32 HA THR 5 HA THR 5 14.488 -7.510 -9.913 33 HB THR 5 HB THR 5 14.626 -9.204 -7.968 34 HG1 THR 5 HG1 THR 5 14.911 -7.991 -5.877 35 HG21 THR 5 HG21 THR 5 16.791 -8.380 -7.120 36 HG22 THR 5 HG22 THR 5 16.456 -6.784 -7.793 37 HG23 THR 5 HG23 THR 5 16.677 -8.165 -8.870 38 H SER 6 HN SER 6 11.984 -7.002 -7.442 39 HA SER 6 HA SER 6 10.131 -8.944 -8.457 40 HB2 SER 6 HB2 SER 6 9.710 -6.539 -6.621 41 HB3 SER 6 HB1 SER 6 8.513 -7.799 -6.928 42 HG SER 6 HG SER 6 9.960 -7.980 -4.993 43 H GLU 7 HN GLU 7 9.933 -8.592 -10.625 44 HA GLU 7 HA GLU 7 9.629 -6.127 -11.961 45 HB2 GLU 7 HB2 GLU 7 8.769 -8.915 -12.857 46 HB3 GLU 7 HB1 GLU 7 8.970 -7.525 -13.926 47 HG2 GLU 7 HG2 GLU 7 11.376 -7.459 -13.424 48 HG3 GLU 7 HG1 GLU 7 11.199 -8.789 -12.281 49 H GLU 8 HN GLU 8 7.807 -4.942 -12.551 50 HA GLU 8 HA GLU 8 5.721 -5.095 -10.596 51 HB2 GLU 8 HB2 GLU 8 6.230 -3.111 -12.835 52 HB3 GLU 8 HB1 GLU 8 4.976 -2.914 -11.612 53 HG2 GLU 8 HG2 GLU 8 6.774 -2.938 -9.857 54 HG3 GLU 8 HG1 GLU 8 7.975 -2.973 -11.150 55 H ASP 9 HN ASP 9 5.730 -7.056 -13.036 56 HA ASP 9 HA ASP 9 3.057 -6.837 -14.091 57 HB2 ASP 9 HB2 ASP 9 4.796 -9.337 -13.918 58 HB3 ASP 9 HB1 ASP 9 3.481 -9.032 -15.050 59 H LEU 10 HN LEU 10 4.077 -7.336 -11.012 60 HA LEU 10 HA LEU 10 2.905 -9.729 -10.126 61 HB2 LEU 10 HB2 LEU 10 3.479 -7.228 -8.508 62 HB3 LEU 10 HB1 LEU 10 3.265 -8.851 -7.865 63 HG LEU 10 HG LEU 10 5.527 -8.053 -9.733 64 HD11 LEU 10 HD11 LEU 10 5.787 -6.849 -7.633 65 HD12 LEU 10 HD12 LEU 10 7.025 -8.088 -7.811 66 HD13 LEU 10 HD13 LEU 10 5.656 -8.360 -6.731 67 HD21 LEU 10 HD21 LEU 10 5.162 -10.566 -8.084 68 HD22 LEU 10 HD22 LEU 10 6.580 -10.164 -9.056 69 HD23 LEU 10 HD23 LEU 10 5.028 -10.437 -9.839 70 H CYS 11 HN CYS 11 1.014 -10.209 -9.102 71 HA CYS 11 HA CYS 11 -1.415 -8.861 -9.452 72 HB2 CYS 11 HB2 CYS 11 -1.396 -11.220 -8.851 73 HB3 CYS 11 HB1 CYS 11 -0.446 -10.898 -7.407 74 HA PRO 12 HA PRO 12 -0.139 -5.445 -6.617 75 HB2 PRO 12 HB2 PRO 12 -2.328 -3.805 -6.927 76 HB3 PRO 12 HB1 PRO 12 -1.054 -3.955 -8.146 77 HG2 PRO 12 HG2 PRO 12 -3.739 -5.339 -8.028 78 HG3 PRO 12 HG1 PRO 12 -2.963 -4.518 -9.404 79 HD2 PRO 12 HD2 PRO 12 -2.896 -7.202 -9.144 80 HD3 PRO 12 HD1 PRO 12 -1.521 -6.311 -9.825 81 H ILE 13 HN ILE 13 -2.937 -7.429 -6.252 82 HA ILE 13 HA ILE 13 -3.914 -6.585 -3.723 83 HB ILE 13 HB ILE 13 -3.999 -9.379 -4.971 84 HG12 ILE 13 HG12 ILE 13 -6.060 -7.127 -5.243 85 HG13 ILE 13 HG11 ILE 13 -4.932 -7.613 -6.503 86 HG21 ILE 13 HG21 ILE 13 -4.613 -9.435 -2.591 87 HG22 ILE 13 HG22 ILE 13 -6.032 -9.746 -3.591 88 HG23 ILE 13 HG23 ILE 13 -5.810 -8.162 -2.845 89 HD11 ILE 13 HD11 ILE 13 -7.154 -9.310 -5.361 90 HD12 ILE 13 HD12 ILE 13 -6.019 -9.813 -6.616 91 HD13 ILE 13 HD13 ILE 13 -7.147 -8.493 -6.922 92 H CYS 14 HN CYS 14 -1.046 -8.270 -4.645 93 HA CYS 14 HA CYS 14 -0.479 -9.276 -1.923 94 HB2 CYS 14 HB2 CYS 14 0.007 -10.798 -4.511 95 HB3 CYS 14 HB1 CYS 14 0.379 -11.368 -2.885 96 H TYR 15 HN TYR 15 0.964 -8.909 -5.140 97 HA TYR 15 HA TYR 15 2.771 -7.933 -6.009 98 HB2 TYR 15 HB2 TYR 15 2.267 -6.090 -4.272 99 HB3 TYR 15 HB1 TYR 15 3.503 -6.825 -3.263 100 HD1 TYR 15 HD1 TYR 15 2.950 -5.178 -6.589 101 HD2 TYR 15 HD2 TYR 15 5.830 -6.246 -3.618 102 HE1 TYR 15 HE1 TYR 15 4.656 -3.845 -7.752 103 HE2 TYR 15 HE2 TYR 15 7.535 -4.919 -4.782 104 HH TYR 15 HH TYR 15 6.777 -2.739 -7.317 105 H ALA 16 HN ALA 16 2.647 -10.594 -4.895 106 HA ALA 16 HA ALA 16 5.444 -11.193 -4.153 107 HB1 ALA 16 HB1 ALA 16 4.587 -13.353 -3.366 108 HB2 ALA 16 HB2 ALA 16 2.968 -12.945 -3.941 109 HB3 ALA 16 HB3 ALA 16 3.697 -12.025 -2.622 110 H HIS 17 HN HIS 17 2.862 -12.330 -6.395 111 HA HIS 17 HA HIS 17 4.907 -13.629 -8.116 112 HB2 HIS 17 HB2 HIS 17 2.162 -14.680 -7.310 113 HB3 HIS 17 HB1 HIS 17 3.012 -15.295 -8.720 114 HD1 HIS 17 HD1 HIS 17 3.809 -17.565 -8.100 115 HD2 HIS 17 HD2 HIS 17 4.392 -14.849 -5.012 116 HE1 HIS 17 HE1 HIS 17 4.947 -18.850 -6.276 117 HE2 HIS 17 HE2 HIS 17 5.131 -17.232 -4.362 118 HA PRO 18 HA PRO 18 3.246 -10.941 -11.217 119 HB2 PRO 18 HB2 PRO 18 4.636 -11.719 -13.358 120 HB3 PRO 18 HB1 PRO 18 5.463 -11.120 -11.911 121 HG2 PRO 18 HG2 PRO 18 5.038 -13.962 -12.817 122 HG3 PRO 18 HG1 PRO 18 6.508 -13.202 -12.168 123 HD2 PRO 18 HD2 PRO 18 4.705 -14.713 -10.664 124 HD3 PRO 18 HD1 PRO 18 5.838 -13.526 -9.982 125 H ILE 19 HN ILE 19 1.299 -12.891 -10.675 126 HA ILE 19 HA ILE 19 -0.760 -13.424 -11.385 127 HB ILE 19 HB ILE 19 0.045 -11.958 -13.926 128 HG12 ILE 19 HG12 ILE 19 -1.653 -10.986 -11.566 129 HG13 ILE 19 HG11 ILE 19 0.023 -10.533 -11.862 130 HG21 ILE 19 HG21 ILE 19 -2.759 -12.777 -13.077 131 HG22 ILE 19 HG22 ILE 19 -1.832 -13.500 -14.389 132 HG23 ILE 19 HG23 ILE 19 -2.349 -11.818 -14.499 133 HD11 ILE 19 HD11 ILE 19 -2.351 -9.865 -13.602 134 HD12 ILE 19 HD12 ILE 19 -0.672 -9.456 -13.973 135 HD13 ILE 19 HD13 ILE 19 -1.458 -8.763 -12.552 136 H SER 20 HN SER 20 -1.819 -15.183 -12.334 137 HA SER 20 HA SER 20 -0.747 -16.549 -14.644 138 HB2 SER 20 HB2 SER 20 0.597 -17.465 -12.694 139 HB3 SER 20 HB1 SER 20 -0.900 -18.099 -12.019 140 HG SER 20 HG SER 20 -0.793 -18.915 -14.533 141 H ALA 21 HN ALA 21 -3.302 -15.232 -13.502 142 HA ALA 21 HA ALA 21 -5.134 -17.239 -14.650 143 HB1 ALA 21 HB1 ALA 21 -6.841 -16.783 -12.906 144 HB2 ALA 21 HB2 ALA 21 -5.704 -15.729 -12.057 145 HB3 ALA 21 HB3 ALA 21 -5.371 -17.454 -12.196 146 H VAL 22 HN VAL 22 -6.437 -16.325 -16.168 147 HA VAL 22 HA VAL 22 -6.883 -13.392 -16.130 148 HB VAL 22 HB VAL 22 -5.668 -14.043 -18.168 149 HG11 VAL 22 HG11 VAL 22 -6.630 -15.517 -19.891 150 HG12 VAL 22 HG12 VAL 22 -7.985 -15.897 -18.827 151 HG13 VAL 22 HG13 VAL 22 -6.350 -16.395 -18.386 152 HG21 VAL 22 HG21 VAL 22 -7.177 -13.069 -19.877 153 HG22 VAL 22 HG22 VAL 22 -7.274 -12.185 -18.354 154 HG23 VAL 22 HG23 VAL 22 -8.558 -13.310 -18.802 155 H PHE 23 HN PHE 23 -8.925 -12.675 -15.998 156 HA PHE 23 HA PHE 23 -11.058 -14.601 -15.487 157 HB2 PHE 23 HB2 PHE 23 -11.143 -11.563 -15.207 158 HB3 PHE 23 HB1 PHE 23 -12.301 -12.719 -14.546 159 HD1 PHE 23 HD1 PHE 23 -10.458 -14.805 -13.450 160 HD2 PHE 23 HD2 PHE 23 -10.230 -10.535 -13.266 161 HE1 PHE 23 HE1 PHE 23 -9.112 -14.960 -11.407 162 HE2 PHE 23 HE2 PHE 23 -8.887 -10.709 -11.220 163 HZ PHE 23 HZ PHE 23 -8.322 -12.921 -10.290 164 H GLN 24 HN GLN 24 -11.511 -15.391 -17.428 165 HA GLN 24 HA GLN 24 -11.948 -13.895 -19.821 166 HB2 GLN 24 HB2 GLN 24 -11.073 -16.203 -19.798 167 HB3 GLN 24 HB1 GLN 24 -12.557 -16.784 -19.054 168 HG2 GLN 24 HG2 GLN 24 -13.805 -16.221 -21.101 169 HG3 GLN 24 HG1 GLN 24 -12.327 -15.609 -21.843 170 HE21 GLN 24 HE21 GLN 24 -10.665 -17.102 -22.375 171 HE22 GLN 24 HE22 GLN 24 -10.997 -18.781 -22.593 172 HA PRO 25 HA PRO 25 -12.959 -13.337 -21.409 173 HB2 PRO 25 HB2 PRO 25 -14.792 -12.215 -22.963 174 HB3 PRO 25 HB1 PRO 25 -14.881 -13.953 -22.632 175 HG2 PRO 25 HG2 PRO 25 -16.490 -11.705 -21.432 176 HG3 PRO 25 HG1 PRO 25 -17.026 -13.319 -21.943 177 HD2 PRO 25 HD2 PRO 25 -16.310 -12.539 -19.303 178 HD3 PRO 25 HD1 PRO 25 -16.559 -14.203 -19.873 179 H CYS 26 HN CYS 26 -13.575 -11.600 -18.813 180 HA CYS 26 HA CYS 26 -14.009 -8.928 -19.624 181 HB2 CYS 26 HB2 CYS 26 -14.375 -9.536 -17.289 182 HB3 CYS 26 HB1 CYS 26 -12.668 -9.933 -17.087 183 H GLY 27 HN GLY 27 -10.892 -10.303 -18.417 184 HA2 GLY 27 HA2 GLY 27 -8.929 -9.916 -19.937 185 HA3 GLY 27 HA1 GLY 27 -9.444 -8.236 -20.000 186 H HIS 28 HN HIS 28 -10.167 -8.270 -17.057 187 HA HIS 28 HA HIS 28 -7.685 -7.627 -15.852 188 HB2 HIS 28 HB2 HIS 28 -10.372 -8.307 -14.597 189 HB3 HIS 28 HB1 HIS 28 -8.965 -7.927 -13.615 190 HD2 HIS 28 HD2 HIS 28 -7.841 -5.252 -14.720 191 HE1 HIS 28 HE1 HIS 28 -11.836 -3.874 -14.699 192 HE2 HIS 28 HE2 HIS 28 -9.409 -3.214 -14.998 193 H LYS 29 HN LYS 29 -6.471 -8.770 -14.303 194 HA LYS 29 HA LYS 29 -6.673 -11.721 -14.345 195 HB2 LYS 29 HB2 LYS 29 -4.178 -10.065 -14.956 196 HB3 LYS 29 HB1 LYS 29 -4.228 -11.822 -14.827 197 HG2 LYS 29 HG2 LYS 29 -5.695 -11.947 -16.787 198 HG3 LYS 29 HG1 LYS 29 -5.717 -10.187 -16.901 199 HD2 LYS 29 HD2 LYS 29 -3.247 -10.237 -17.313 200 HD3 LYS 29 HD1 LYS 29 -3.310 -12.004 -17.303 201 HE2 LYS 29 HE2 LYS 29 -4.775 -12.007 -19.239 202 HE3 LYS 29 HE1 LYS 29 -4.891 -10.247 -19.209 203 HZ1 LYS 29 HZ1 LYS 29 -2.450 -10.218 -19.592 204 HZ2 LYS 29 HZ2 LYS 29 -3.354 -10.837 -20.876 205 HZ3 LYS 29 HZ3 LYS 29 -2.516 -11.885 -19.856 206 H SER 30 HN SER 30 -5.087 -12.698 -12.743 207 HA SER 30 HA SER 30 -3.954 -11.177 -10.619 208 HB2 SER 30 HB2 SER 30 -6.399 -10.974 -10.007 209 HB3 SER 30 HB1 SER 30 -6.476 -12.725 -9.863 210 HG SER 30 HG SER 30 -6.123 -11.423 -7.891 211 H CYS 31 HN CYS 31 -3.442 -12.752 -8.694 212 HA CYS 31 HA CYS 31 -2.117 -15.100 -9.755 213 HB2 CYS 31 HB2 CYS 31 -1.017 -15.258 -7.645 214 HB3 CYS 31 HB1 CYS 31 -1.144 -13.533 -7.952 215 H LYS 32 HN LYS 32 -2.450 -17.268 -8.828 216 HA LYS 32 HA LYS 32 -5.104 -18.096 -9.188 217 HB2 LYS 32 HB2 LYS 32 -2.865 -19.708 -7.874 218 HB3 LYS 32 HB1 LYS 32 -4.339 -20.368 -8.574 219 HG2 LYS 32 HG2 LYS 32 -2.075 -18.997 -10.069 220 HG3 LYS 32 HG1 LYS 32 -2.454 -20.722 -10.085 221 HD2 LYS 32 HD2 LYS 32 -4.217 -18.494 -11.208 222 HD3 LYS 32 HD1 LYS 32 -3.207 -19.585 -12.156 223 HE2 LYS 32 HE2 LYS 32 -5.553 -20.459 -10.432 224 HE3 LYS 32 HE1 LYS 32 -5.614 -20.212 -12.178 225 HZ1 LYS 32 HZ1 LYS 32 -5.332 -22.521 -11.632 226 HZ2 LYS 32 HZ2 LYS 32 -3.913 -22.180 -10.774 227 HZ3 LYS 32 HZ3 LYS 32 -3.962 -21.949 -12.431 228 H ALA 33 HN ALA 33 -3.284 -17.584 -6.209 229 HA ALA 33 HA ALA 33 -5.022 -18.852 -4.387 230 HB1 ALA 33 HB1 ALA 33 -3.034 -16.621 -3.846 231 HB2 ALA 33 HB2 ALA 33 -2.664 -18.346 -3.873 232 HB3 ALA 33 HB3 ALA 33 -3.744 -17.693 -2.638 233 H CYS 34 HN CYS 34 -4.917 -15.526 -5.605 234 HA CYS 34 HA CYS 34 -6.723 -14.288 -3.845 235 HB2 CYS 34 HB2 CYS 34 -5.751 -13.637 -6.603 236 HB3 CYS 34 HB1 CYS 34 -7.217 -12.826 -6.072 237 H ILE 35 HN ILE 35 -7.338 -15.772 -7.015 238 HA ILE 35 HA ILE 35 -10.152 -15.194 -6.874 239 HB ILE 35 HB ILE 35 -9.011 -15.039 -9.024 240 HG12 ILE 35 HG12 ILE 35 -10.624 -16.336 -10.432 241 HG13 ILE 35 HG11 ILE 35 -11.092 -17.285 -9.024 242 HG21 ILE 35 HG21 ILE 35 -7.291 -16.740 -8.772 243 HG22 ILE 35 HG22 ILE 35 -8.197 -17.007 -10.261 244 HG23 ILE 35 HG23 ILE 35 -8.504 -18.026 -8.852 245 HD11 ILE 35 HD11 ILE 35 -12.720 -15.554 -9.548 246 HD12 ILE 35 HD12 ILE 35 -11.490 -14.307 -9.355 247 HD13 ILE 35 HD13 ILE 35 -11.997 -15.274 -7.965 248 H ASN 36 HN ASN 36 -8.124 -18.027 -6.269 249 HA ASN 36 HA ASN 36 -10.169 -19.988 -6.176 250 HB2 ASN 36 HB2 ASN 36 -7.704 -20.492 -6.249 251 HB3 ASN 36 HB1 ASN 36 -7.567 -19.962 -4.577 252 HD21 ASN 36 HD21 ASN 36 -8.377 -21.310 -2.932 253 HD22 ASN 36 HD22 ASN 36 -8.820 -22.955 -3.214 254 H GLN 37 HN GLN 37 -8.839 -17.815 -3.715 255 HA GLN 37 HA GLN 37 -10.543 -18.696 -1.570 256 HB2 GLN 37 HB2 GLN 37 -8.299 -17.629 -1.215 257 HB3 GLN 37 HB1 GLN 37 -8.940 -16.120 -1.856 258 HG2 GLN 37 HG2 GLN 37 -10.563 -16.049 0.033 259 HG3 GLN 37 HG1 GLN 37 -9.845 -17.519 0.683 260 HE21 GLN 37 HE21 GLN 37 -7.722 -17.416 1.561 261 HE22 GLN 37 HE22 GLN 37 -7.016 -15.910 2.030 262 H HIS 38 HN HIS 38 -10.688 -16.213 -4.061 263 HA HIS 38 HA HIS 38 -12.692 -14.561 -2.906 264 HB2 HIS 38 HB2 HIS 38 -11.129 -13.739 -4.652 265 HB3 HIS 38 HB1 HIS 38 -11.889 -14.793 -5.838 266 HD2 HIS 38 HD2 HIS 38 -13.834 -13.550 -7.253 267 HE1 HIS 38 HE1 HIS 38 -14.596 -10.407 -4.523 268 HE2 HIS 38 HE2 HIS 38 -14.974 -11.258 -6.876 269 H LEU 39 HN LEU 39 -12.806 -17.232 -5.243 270 HA LEU 39 HA LEU 39 -15.468 -17.033 -6.086 271 HB2 LEU 39 HB2 LEU 39 -13.566 -19.386 -5.979 272 HB3 LEU 39 HB1 LEU 39 -15.182 -19.543 -6.644 273 HG LEU 39 HG LEU 39 -13.006 -17.698 -7.719 274 HD11 LEU 39 HD11 LEU 39 -12.500 -20.041 -8.186 275 HD12 LEU 39 HD12 LEU 39 -12.945 -19.201 -9.670 276 HD13 LEU 39 HD13 LEU 39 -14.105 -20.273 -8.882 277 HD21 LEU 39 HD21 LEU 39 -14.536 -17.261 -9.606 278 HD22 LEU 39 HD22 LEU 39 -15.223 -16.708 -8.079 279 HD23 LEU 39 HD23 LEU 39 -15.798 -18.209 -8.810 280 H MET 40 HN MET 40 -14.164 -18.287 -3.149 281 HA MET 40 HA MET 40 -16.334 -19.902 -2.274 282 HB2 MET 40 HB2 MET 40 -14.273 -18.396 -0.602 283 HB3 MET 40 HB1 MET 40 -15.273 -19.733 -0.043 284 HG2 MET 40 HG2 MET 40 -14.125 -21.266 -1.549 285 HG3 MET 40 HG1 MET 40 -13.196 -19.933 -2.243 286 HE1 MET 40 HE1 MET 40 -10.403 -21.848 -0.293 287 HE2 MET 40 HE2 MET 40 -10.897 -21.165 -1.842 288 HE3 MET 40 HE3 MET 40 -11.747 -22.565 -1.184 289 H ASN 41 HN ASN 41 -15.675 -16.453 -2.136 290 HA ASN 41 HA ASN 41 -18.111 -15.869 -0.580 291 HB2 ASN 41 HB2 ASN 41 -15.763 -14.095 -1.377 292 HB3 ASN 41 HB1 ASN 41 -17.154 -13.541 -0.453 293 HD21 ASN 41 HD21 ASN 41 -15.834 -12.930 1.282 294 HD22 ASN 41 HD22 ASN 41 -15.109 -14.089 2.338 295 H ASN 42 HN ASN 42 -16.466 -14.298 -3.384 296 HA ASN 42 HA ASN 42 -19.067 -14.014 -4.765 297 HB2 ASN 42 HB2 ASN 42 -16.833 -11.978 -4.466 298 HB3 ASN 42 HB1 ASN 42 -18.050 -11.828 -5.726 299 HD21 ASN 42 HD21 ASN 42 -17.466 -10.063 -3.483 300 HD22 ASN 42 HD22 ASN 42 -18.933 -9.921 -2.589 301 H LYS 43 HN LYS 43 -18.988 -13.922 -7.084 302 HA LYS 43 HA LYS 43 -16.699 -15.381 -8.292 303 HB2 LYS 43 HB2 LYS 43 -19.488 -14.877 -9.415 304 HB3 LYS 43 HB1 LYS 43 -18.271 -15.959 -10.089 305 HG2 LYS 43 HG2 LYS 43 -18.465 -17.434 -8.141 306 HG3 LYS 43 HG1 LYS 43 -19.616 -16.326 -7.389 307 HD2 LYS 43 HD2 LYS 43 -20.054 -17.885 -9.975 308 HD3 LYS 43 HD1 LYS 43 -20.787 -18.246 -8.407 309 HE2 LYS 43 HE2 LYS 43 -21.271 -15.764 -10.104 310 HE3 LYS 43 HE1 LYS 43 -22.401 -17.089 -9.821 311 HZ1 LYS 43 HZ1 LYS 43 -21.388 -15.174 -7.791 312 HZ2 LYS 43 HZ2 LYS 43 -22.395 -16.493 -7.457 313 HZ3 LYS 43 HZ3 LYS 43 -22.948 -15.233 -8.436 314 H ASP 44 HN ASP 44 -16.935 -12.406 -7.660 315 HA ASP 44 HA ASP 44 -17.351 -11.111 -10.235 316 HB2 ASP 44 HB2 ASP 44 -16.880 -9.997 -7.443 317 HB3 ASP 44 HB1 ASP 44 -17.183 -8.996 -8.864 318 H CYS 45 HN CYS 45 -15.888 -9.655 -11.183 319 HA CYS 45 HA CYS 45 -13.100 -10.512 -11.014 320 HB2 CYS 45 HB2 CYS 45 -14.158 -10.484 -13.187 321 HB3 CYS 45 HB1 CYS 45 -14.653 -8.817 -12.984 322 H PHE 46 HN PHE 46 -13.480 -9.315 -8.778 323 HA PHE 46 HA PHE 46 -12.796 -7.780 -7.296 324 HB2 PHE 46 HB2 PHE 46 -10.453 -7.728 -9.232 325 HB3 PHE 46 HB1 PHE 46 -10.388 -7.105 -7.589 326 HD1 PHE 46 HD1 PHE 46 -11.328 -8.930 -5.771 327 HD2 PHE 46 HD2 PHE 46 -9.512 -9.855 -9.526 328 HE1 PHE 46 HE1 PHE 46 -10.683 -11.140 -4.917 329 HE2 PHE 46 HE2 PHE 46 -8.872 -12.075 -8.664 330 HZ PHE 46 HZ PHE 46 -9.460 -12.718 -6.361 331 H PHE 47 HN PHE 47 -11.343 -6.085 -10.069 332 HA PHE 47 HA PHE 47 -11.663 -3.570 -8.740 333 HB2 PHE 47 HB2 PHE 47 -10.611 -4.124 -11.553 334 HB3 PHE 47 HB1 PHE 47 -10.317 -2.674 -10.591 335 HD1 PHE 47 HD1 PHE 47 -9.088 -3.007 -8.303 336 HD2 PHE 47 HD2 PHE 47 -9.062 -5.943 -11.416 337 HE1 PHE 47 HE1 PHE 47 -7.110 -4.066 -7.293 338 HE2 PHE 47 HE2 PHE 47 -7.074 -6.988 -10.399 339 HZ PHE 47 HZ PHE 47 -6.101 -6.058 -8.335 340 H CYS 48 HN CYS 48 -13.126 -5.118 -11.562 341 HA CYS 48 HA CYS 48 -14.934 -2.811 -12.015 342 HB2 CYS 48 HB2 CYS 48 -15.322 -3.719 -14.210 343 HB3 CYS 48 HB1 CYS 48 -13.584 -3.831 -13.940 344 H LYS 49 HN LYS 49 -14.808 -5.812 -10.491 345 HA LYS 49 HA LYS 49 -16.192 -7.388 -9.709 346 HB2 LYS 49 HB2 LYS 49 -18.318 -5.221 -9.587 347 HB3 LYS 49 HB1 LYS 49 -18.275 -6.694 -8.640 348 HG2 LYS 49 HG2 LYS 49 -17.524 -5.225 -7.040 349 HG3 LYS 49 HG1 LYS 49 -15.974 -5.659 -7.754 350 HD2 LYS 49 HD2 LYS 49 -16.156 -3.217 -7.389 351 HD3 LYS 49 HD1 LYS 49 -15.987 -3.600 -9.105 352 HE2 LYS 49 HE2 LYS 49 -18.430 -3.330 -9.416 353 HE3 LYS 49 HE1 LYS 49 -18.612 -2.957 -7.699 354 HZ1 LYS 49 HZ1 LYS 49 -17.309 -0.983 -8.006 355 HZ2 LYS 49 HZ2 LYS 49 -18.573 -0.981 -9.123 356 HZ3 LYS 49 HZ3 LYS 49 -17.005 -1.366 -9.624 357 H THR 50 HN THR 50 -16.433 -6.780 -12.764 358 HA THR 50 HA THR 50 -18.978 -7.633 -13.611 359 HB THR 50 HB THR 50 -16.289 -8.069 -15.016 360 HG1 THR 50 HG1 THR 50 -17.968 -5.929 -15.698 361 HG21 THR 50 HG21 THR 50 -19.104 -7.900 -16.177 362 HG22 THR 50 HG22 THR 50 -18.127 -9.365 -16.057 363 HG23 THR 50 HG23 THR 50 -17.610 -8.048 -17.108 364 H THR 51 HN THR 51 -19.892 -9.595 -13.217 365 HA THR 51 HA THR 51 -18.597 -11.602 -11.747 366 HB THR 51 HB THR 51 -21.167 -11.972 -13.342 367 HG1 THR 51 HG1 THR 51 -20.625 -10.615 -10.919 368 HG21 THR 51 HG21 THR 51 -21.759 -13.546 -11.520 369 HG22 THR 51 HG22 THR 51 -20.191 -13.276 -10.758 370 HG23 THR 51 HG23 THR 51 -20.280 -14.065 -12.336 371 H ILE 52 HN ILE 52 -17.224 -13.082 -12.384 372 HA ILE 52 HA ILE 52 -16.244 -13.272 -15.029 373 HB ILE 52 HB ILE 52 -15.606 -15.123 -12.684 374 HG12 ILE 52 HG12 ILE 52 -14.140 -12.532 -13.397 375 HG13 ILE 52 HG11 ILE 52 -15.350 -12.636 -12.122 376 HG21 ILE 52 HG21 ILE 52 -13.416 -15.414 -13.818 377 HG22 ILE 52 HG22 ILE 52 -13.965 -14.394 -15.148 378 HG23 ILE 52 HG23 ILE 52 -14.754 -15.942 -14.840 379 HD11 ILE 52 HD11 ILE 52 -12.759 -14.175 -12.198 380 HD12 ILE 52 HD12 ILE 52 -13.961 -14.203 -10.902 381 HD13 ILE 52 HD13 ILE 52 -13.083 -12.717 -11.262 382 H VAL 53 HN VAL 53 -16.805 -14.632 -16.632 383 HA VAL 53 HA VAL 53 -18.897 -16.613 -16.255 384 HB VAL 53 HB VAL 53 -17.340 -15.969 -18.810 385 HG11 VAL 53 HG11 VAL 53 -18.578 -18.097 -18.928 386 HG12 VAL 53 HG12 VAL 53 -19.309 -16.895 -19.989 387 HG13 VAL 53 HG13 VAL 53 -20.066 -17.281 -18.441 388 HG21 VAL 53 HG21 VAL 53 -18.378 -13.912 -17.938 389 HG22 VAL 53 HG22 VAL 53 -19.942 -14.721 -17.829 390 HG23 VAL 53 HG23 VAL 53 -19.198 -14.444 -19.406 391 H SER 54 HN SER 54 -15.435 -16.559 -17.112 392 HA SER 54 HA SER 54 -15.100 -19.302 -16.122 393 HB2 SER 54 HB2 SER 54 -15.423 -19.563 -18.573 394 HB3 SER 54 HB1 SER 54 -14.148 -18.384 -18.883 395 HG SER 54 HG SER 54 -12.835 -20.008 -18.808 396 H VAL 55 HN VAL 55 -13.272 -19.414 -14.883 397 HA VAL 55 HA VAL 55 -11.264 -17.247 -15.026 398 HB VAL 55 HB VAL 55 -11.468 -19.494 -12.956 399 HG11 VAL 55 HG11 VAL 55 -9.936 -18.112 -11.598 400 HG12 VAL 55 HG12 VAL 55 -9.846 -16.922 -12.899 401 HG13 VAL 55 HG13 VAL 55 -9.210 -18.549 -13.146 402 HG21 VAL 55 HG21 VAL 55 -12.471 -16.627 -12.677 403 HG22 VAL 55 HG22 VAL 55 -12.452 -17.847 -11.400 404 HG23 VAL 55 HG23 VAL 55 -13.482 -18.069 -12.814 405 H GLU 56 HN GLU 56 -9.844 -17.699 -16.618 406 HA GLU 56 HA GLU 56 -9.050 -20.451 -17.216 407 HB2 GLU 56 HB2 GLU 56 -9.670 -18.939 -19.088 408 HB3 GLU 56 HB1 GLU 56 -8.344 -17.865 -18.662 409 HG2 GLU 56 HG2 GLU 56 -6.722 -19.665 -19.171 410 HG3 GLU 56 HG1 GLU 56 -8.048 -20.745 -19.593 411 H ASP 57 HN ASP 57 -7.022 -21.225 -16.992 412 HA ASP 57 HA ASP 57 -5.123 -19.937 -15.237 413 HB2 ASP 57 HB2 ASP 57 -5.479 -22.409 -15.249 414 HB3 ASP 57 HB1 ASP 57 -4.868 -22.488 -16.894 415 H TRP 58 HN TRP 58 -3.957 -18.287 -16.028 416 HA TRP 58 HA TRP 58 -3.339 -18.012 -18.872 417 HB2 TRP 58 HB2 TRP 58 -4.359 -16.107 -17.668 418 HB3 TRP 58 HB1 TRP 58 -3.008 -16.075 -16.543 419 HD1 TRP 58 HD1 TRP 58 -3.459 -15.730 -20.416 420 HE1 TRP 58 HE1 TRP 58 -1.874 -13.876 -21.230 421 HE3 TRP 58 HE3 TRP 58 -1.219 -14.548 -15.969 422 HZ2 TRP 58 HZ2 TRP 58 0.055 -12.141 -20.137 423 HZ3 TRP 58 HZ3 TRP 58 0.487 -12.773 -15.943 424 HH2 TRP 58 HH2 TRP 58 1.114 -11.594 -17.990 425 H GLU 59 HN GLU 59 -1.377 -18.534 -19.676 426 HA GLU 59 HA GLU 59 0.978 -18.866 -17.974 427 HB2 GLU 59 HB2 GLU 59 0.631 -19.132 -20.993 428 HB3 GLU 59 HB1 GLU 59 2.132 -19.462 -20.128 429 HG2 GLU 59 HG2 GLU 59 0.906 -21.257 -18.846 430 HG3 GLU 59 HG1 GLU 59 -0.486 -20.985 -19.895 431 H LYS 60 HN LYS 60 2.333 -17.206 -17.548 432 HA LYS 60 HA LYS 60 2.000 -14.633 -18.862 433 HB2 LYS 60 HB2 LYS 60 2.292 -14.708 -16.390 434 HB3 LYS 60 HB1 LYS 60 3.872 -15.467 -16.600 435 HG2 LYS 60 HG2 LYS 60 4.441 -13.352 -18.028 436 HG3 LYS 60 HG1 LYS 60 3.039 -12.632 -17.235 437 HD2 LYS 60 HD2 LYS 60 4.084 -12.934 -15.047 438 HD3 LYS 60 HD1 LYS 60 5.429 -13.818 -15.781 439 HE2 LYS 60 HE2 LYS 60 4.744 -10.894 -16.223 440 HE3 LYS 60 HE1 LYS 60 6.116 -11.527 -15.310 441 HZ1 LYS 60 HZ1 LYS 60 6.869 -12.603 -17.415 442 HZ2 LYS 60 HZ2 LYS 60 6.888 -10.912 -17.449 443 HZ3 LYS 60 HZ3 LYS 60 5.650 -11.755 -18.232 444 H GLY 61 HN GLY 61 4.609 -17.002 -18.353 445 HA2 GLY 61 HA2 GLY 61 6.532 -17.308 -19.717 446 HA3 GLY 61 HA1 GLY 61 6.290 -15.704 -20.404 Start of MODEL 7 1 H1 SER 1 HT1 SER 1 10.073 3.150 -0.340 2 H2 SER 1 HT2 SER 1 11.608 3.705 0.088 3 H3 SER 1 HT3 SER 1 10.614 2.990 1.257 4 HA SER 1 HA SER 1 12.362 1.516 0.530 5 HB2 SER 1 HB2 SER 1 9.576 0.617 -0.333 6 HB3 SER 1 HB1 SER 1 10.914 -0.437 0.127 7 HG SER 1 HG SER 1 10.836 0.624 2.222 8 H HIS 2 HN HIS 2 13.797 1.935 -1.135 9 HA HIS 2 HA HIS 2 13.095 1.953 -3.922 10 HB2 HIS 2 HB2 HIS 2 15.781 1.452 -2.553 11 HB3 HIS 2 HB1 HIS 2 15.573 1.609 -4.292 12 HD2 HIS 2 HD2 HIS 2 15.252 3.894 -1.079 13 HE1 HIS 2 HE1 HIS 2 15.937 6.297 -4.491 14 HE2 HIS 2 HE2 HIS 2 15.453 6.304 -2.009 15 H MET 3 HN MET 3 11.808 0.169 -4.295 16 HA MET 3 HA MET 3 12.361 -2.435 -3.233 17 HB2 MET 3 HB2 MET 3 10.065 -1.510 -3.597 18 HB3 MET 3 HB1 MET 3 10.325 -1.597 -5.332 19 HG2 MET 3 HG2 MET 3 10.553 -4.060 -5.149 20 HG3 MET 3 HG1 MET 3 10.239 -3.943 -3.418 21 HE1 MET 3 HE1 MET 3 8.756 -3.542 -7.032 22 HE2 MET 3 HE2 MET 3 8.511 -1.914 -6.394 23 HE3 MET 3 HE3 MET 3 7.125 -2.962 -6.698 24 HA PRO 4 HA PRO 4 15.246 -3.247 -6.615 25 HB2 PRO 4 HB2 PRO 4 16.256 -5.620 -5.744 26 HB3 PRO 4 HB1 PRO 4 16.621 -4.088 -4.934 27 HG2 PRO 4 HG2 PRO 4 14.561 -6.171 -4.199 28 HG3 PRO 4 HG1 PRO 4 15.747 -5.360 -3.151 29 HD2 PRO 4 HD2 PRO 4 13.151 -4.554 -3.312 30 HD3 PRO 4 HD1 PRO 4 14.478 -3.411 -3.012 31 H THR 5 HN THR 5 12.346 -5.003 -6.088 32 HA THR 5 HA THR 5 12.705 -7.168 -7.903 33 HB THR 5 HB THR 5 10.204 -7.389 -7.836 34 HG1 THR 5 HG1 THR 5 9.532 -5.283 -7.635 35 HG21 THR 5 HG21 THR 5 11.445 -6.988 -5.088 36 HG22 THR 5 HG22 THR 5 11.544 -8.462 -6.052 37 HG23 THR 5 HG23 THR 5 9.983 -7.914 -5.441 38 H SER 6 HN SER 6 13.411 -6.583 -9.896 39 HA SER 6 HA SER 6 12.359 -4.402 -11.455 40 HB2 SER 6 HB2 SER 6 14.140 -6.730 -12.278 41 HB3 SER 6 HB1 SER 6 13.894 -5.242 -13.196 42 HG SER 6 HG SER 6 14.616 -4.473 -10.796 43 H GLU 7 HN GLU 7 11.158 -7.464 -10.764 44 HA GLU 7 HA GLU 7 9.672 -7.868 -13.209 45 HB2 GLU 7 HB2 GLU 7 8.465 -9.620 -11.860 46 HB3 GLU 7 HB1 GLU 7 10.206 -9.841 -11.953 47 HG2 GLU 7 HG2 GLU 7 10.419 -8.870 -9.659 48 HG3 GLU 7 HG1 GLU 7 8.661 -8.760 -9.572 49 H GLU 8 HN GLU 8 7.814 -6.902 -13.737 50 HA GLU 8 HA GLU 8 6.315 -5.305 -11.731 51 HB2 GLU 8 HB2 GLU 8 6.963 -4.564 -14.620 52 HB3 GLU 8 HB1 GLU 8 5.932 -3.619 -13.551 53 HG2 GLU 8 HG2 GLU 8 8.868 -4.195 -13.036 54 HG3 GLU 8 HG1 GLU 8 8.261 -2.729 -13.807 55 H ASP 9 HN ASP 9 6.031 -8.032 -13.484 56 HA ASP 9 HA ASP 9 3.303 -7.700 -14.493 57 HB2 ASP 9 HB2 ASP 9 5.173 -10.103 -14.304 58 HB3 ASP 9 HB1 ASP 9 3.495 -10.290 -14.794 59 H LEU 10 HN LEU 10 3.747 -7.162 -11.652 60 HA LEU 10 HA LEU 10 3.292 -9.491 -10.074 61 HB2 LEU 10 HB2 LEU 10 3.174 -6.575 -9.237 62 HB3 LEU 10 HB1 LEU 10 3.347 -7.961 -8.171 63 HG LEU 10 HG LEU 10 5.404 -6.885 -10.138 64 HD11 LEU 10 HD11 LEU 10 5.529 -7.206 -7.125 65 HD12 LEU 10 HD12 LEU 10 5.291 -5.691 -7.996 66 HD13 LEU 10 HD13 LEU 10 6.811 -6.568 -8.159 67 HD21 LEU 10 HD21 LEU 10 6.905 -8.725 -9.428 68 HD22 LEU 10 HD22 LEU 10 5.497 -9.319 -10.299 69 HD23 LEU 10 HD23 LEU 10 5.572 -9.468 -8.543 70 H CYS 11 HN CYS 11 1.457 -10.270 -9.161 71 HA CYS 11 HA CYS 11 -1.167 -9.574 -9.911 72 HB2 CYS 11 HB2 CYS 11 -0.654 -11.766 -8.897 73 HB3 CYS 11 HB1 CYS 11 -0.145 -10.990 -7.397 74 HA PRO 12 HA PRO 12 -1.161 -5.498 -7.878 75 HB2 PRO 12 HB2 PRO 12 -4.161 -5.789 -8.076 76 HB3 PRO 12 HB1 PRO 12 -3.129 -4.437 -8.570 77 HG2 PRO 12 HG2 PRO 12 -4.095 -6.087 -10.420 78 HG3 PRO 12 HG1 PRO 12 -2.411 -5.533 -10.527 79 HD2 PRO 12 HD2 PRO 12 -3.475 -8.198 -9.598 80 HD3 PRO 12 HD1 PRO 12 -2.054 -7.839 -10.605 81 H ILE 13 HN ILE 13 -3.130 -8.119 -6.658 82 HA ILE 13 HA ILE 13 -3.839 -6.919 -4.139 83 HB ILE 13 HB ILE 13 -4.068 -9.842 -5.020 84 HG12 ILE 13 HG12 ILE 13 -6.625 -9.173 -5.163 85 HG13 ILE 13 HG11 ILE 13 -6.032 -7.523 -5.270 86 HG21 ILE 13 HG21 ILE 13 -5.372 -8.442 -2.653 87 HG22 ILE 13 HG22 ILE 13 -4.103 -9.665 -2.578 88 HG23 ILE 13 HG23 ILE 13 -5.706 -10.098 -3.170 89 HD11 ILE 13 HD11 ILE 13 -5.393 -9.763 -7.189 90 HD12 ILE 13 HD12 ILE 13 -4.831 -8.095 -7.324 91 HD13 ILE 13 HD13 ILE 13 -6.551 -8.461 -7.449 92 H CYS 14 HN CYS 14 -1.263 -9.050 -5.290 93 HA CYS 14 HA CYS 14 -0.483 -9.794 -2.531 94 HB2 CYS 14 HB2 CYS 14 0.087 -11.156 -5.181 95 HB3 CYS 14 HB1 CYS 14 0.674 -11.715 -3.614 96 H TYR 15 HN TYR 15 0.849 -8.880 -5.646 97 HA TYR 15 HA TYR 15 2.643 -7.807 -6.406 98 HB2 TYR 15 HB2 TYR 15 3.537 -7.373 -3.525 99 HB3 TYR 15 HB1 TYR 15 4.243 -6.621 -4.952 100 HD1 TYR 15 HD2 TYR 15 2.388 -5.326 -6.494 101 HD2 TYR 15 HD1 TYR 15 2.040 -6.041 -2.292 102 HE1 TYR 15 HE2 TYR 15 0.823 -3.432 -6.290 103 HE2 TYR 15 HE1 TYR 15 0.481 -4.156 -2.096 104 HH TYR 15 HH TYR 15 -0.026 -2.062 -3.317 105 H ALA 16 HN ALA 16 3.426 -10.019 -3.710 106 HA ALA 16 HA ALA 16 6.115 -10.492 -4.475 107 HB1 ALA 16 HB1 ALA 16 4.338 -12.103 -2.632 108 HB2 ALA 16 HB2 ALA 16 5.324 -10.717 -2.168 109 HB3 ALA 16 HB3 ALA 16 6.098 -12.204 -2.717 110 H HIS 17 HN HIS 17 3.322 -11.734 -5.951 111 HA HIS 17 HA HIS 17 4.977 -13.677 -7.426 112 HB2 HIS 17 HB2 HIS 17 2.176 -14.201 -6.363 113 HB3 HIS 17 HB1 HIS 17 2.870 -15.134 -7.682 114 HD1 HIS 17 HD1 HIS 17 2.065 -15.943 -4.578 115 HD2 HIS 17 HD2 HIS 17 5.815 -15.750 -6.349 116 HE1 HIS 17 HE1 HIS 17 3.524 -17.470 -3.228 117 HE2 HIS 17 HE2 HIS 17 5.822 -17.200 -4.213 118 HA PRO 18 HA PRO 18 3.349 -11.114 -10.695 119 HB2 PRO 18 HB2 PRO 18 4.788 -12.030 -12.748 120 HB3 PRO 18 HB1 PRO 18 5.589 -11.306 -11.345 121 HG2 PRO 18 HG2 PRO 18 5.230 -14.216 -12.033 122 HG3 PRO 18 HG1 PRO 18 6.674 -13.385 -11.413 123 HD2 PRO 18 HD2 PRO 18 4.846 -14.802 -9.838 124 HD3 PRO 18 HD1 PRO 18 5.968 -13.571 -9.226 125 H ILE 19 HN ILE 19 1.169 -12.293 -10.265 126 HA ILE 19 HA ILE 19 -0.824 -13.018 -11.071 127 HB ILE 19 HB ILE 19 0.525 -12.506 -13.765 128 HG12 ILE 19 HG12 ILE 19 -1.376 -10.717 -12.171 129 HG13 ILE 19 HG11 ILE 19 0.368 -10.518 -12.241 130 HG21 ILE 19 HG21 ILE 19 -2.465 -12.789 -13.283 131 HG22 ILE 19 HG22 ILE 19 -1.447 -13.940 -14.147 132 HG23 ILE 19 HG23 ILE 19 -1.701 -12.328 -14.809 133 HD11 ILE 19 HD11 ILE 19 -1.545 -10.221 -14.560 134 HD12 ILE 19 HD12 ILE 19 0.210 -10.039 -14.646 135 HD13 ILE 19 HD13 ILE 19 -0.747 -8.923 -13.673 136 H SER 20 HN SER 20 -1.913 -14.881 -12.409 137 HA SER 20 HA SER 20 -0.244 -17.080 -13.308 138 HB2 SER 20 HB2 SER 20 -2.136 -17.462 -10.937 139 HB3 SER 20 HB1 SER 20 -1.356 -18.771 -11.819 140 HG SER 20 HG SER 20 0.669 -17.702 -11.204 141 H ALA 21 HN ALA 21 -3.430 -15.734 -12.658 142 HA ALA 21 HA ALA 21 -4.639 -17.238 -14.886 143 HB1 ALA 21 HB1 ALA 21 -5.332 -18.199 -12.714 144 HB2 ALA 21 HB2 ALA 21 -6.694 -17.459 -13.555 145 HB3 ALA 21 HB3 ALA 21 -5.933 -16.620 -12.202 146 H VAL 22 HN VAL 22 -6.802 -16.216 -15.494 147 HA VAL 22 HA VAL 22 -6.880 -13.292 -15.317 148 HB VAL 22 HB VAL 22 -5.568 -13.635 -17.353 149 HG11 VAL 22 HG11 VAL 22 -6.389 -14.943 -19.283 150 HG12 VAL 22 HG12 VAL 22 -7.790 -15.460 -18.344 151 HG13 VAL 22 HG13 VAL 22 -6.170 -15.961 -17.857 152 HG21 VAL 22 HG21 VAL 22 -7.239 -11.805 -17.415 153 HG22 VAL 22 HG22 VAL 22 -8.430 -12.903 -18.118 154 HG23 VAL 22 HG23 VAL 22 -6.976 -12.483 -19.024 155 H PHE 23 HN PHE 23 -8.913 -12.488 -15.434 156 HA PHE 23 HA PHE 23 -11.144 -14.333 -15.116 157 HB2 PHE 23 HB2 PHE 23 -11.170 -11.293 -14.809 158 HB3 PHE 23 HB1 PHE 23 -12.341 -12.447 -14.163 159 HD1 PHE 23 HD1 PHE 23 -10.639 -14.521 -12.962 160 HD2 PHE 23 HD2 PHE 23 -10.169 -10.271 -12.937 161 HE1 PHE 23 HE1 PHE 23 -9.325 -14.674 -10.900 162 HE2 PHE 23 HE2 PHE 23 -8.859 -10.438 -10.868 163 HZ PHE 23 HZ PHE 23 -8.434 -12.641 -9.850 164 H GLN 24 HN GLN 24 -11.728 -15.031 -17.052 165 HA GLN 24 HA GLN 24 -11.917 -13.287 -19.386 166 HB2 GLN 24 HB2 GLN 24 -10.826 -15.741 -19.145 167 HB3 GLN 24 HB1 GLN 24 -12.471 -16.264 -19.461 168 HG2 GLN 24 HG2 GLN 24 -11.272 -16.286 -21.524 169 HG3 GLN 24 HG1 GLN 24 -12.416 -14.950 -21.592 170 HE21 GLN 24 HE21 GLN 24 -9.995 -15.375 -23.145 171 HE22 GLN 24 HE22 GLN 24 -8.964 -14.018 -22.866 172 HA PRO 25 HA PRO 25 -12.926 -13.079 -21.255 173 HB2 PRO 25 HB2 PRO 25 -14.821 -12.125 -22.870 174 HB3 PRO 25 HB1 PRO 25 -14.688 -13.866 -22.586 175 HG2 PRO 25 HG2 PRO 25 -16.649 -11.900 -21.439 176 HG3 PRO 25 HG1 PRO 25 -16.915 -13.573 -21.965 177 HD2 PRO 25 HD2 PRO 25 -16.451 -12.698 -19.300 178 HD3 PRO 25 HD1 PRO 25 -16.426 -14.379 -19.874 179 H CYS 26 HN CYS 26 -13.291 -11.488 -18.754 180 HA CYS 26 HA CYS 26 -13.770 -8.754 -19.532 181 HB2 CYS 26 HB2 CYS 26 -14.179 -9.263 -17.220 182 HB3 CYS 26 HB1 CYS 26 -12.565 -9.942 -17.010 183 H GLY 27 HN GLY 27 -10.703 -10.040 -18.122 184 HA2 GLY 27 HA2 GLY 27 -8.717 -9.681 -19.746 185 HA3 GLY 27 HA1 GLY 27 -9.241 -8.004 -19.700 186 H HIS 28 HN HIS 28 -9.983 -8.212 -16.789 187 HA HIS 28 HA HIS 28 -7.581 -7.483 -15.524 188 HB2 HIS 28 HB2 HIS 28 -10.256 -8.383 -14.402 189 HB3 HIS 28 HB1 HIS 28 -8.902 -8.097 -13.316 190 HD2 HIS 28 HD2 HIS 28 -7.751 -5.318 -14.124 191 HE1 HIS 28 HE1 HIS 28 -11.748 -3.954 -14.080 192 HE2 HIS 28 HE2 HIS 28 -9.317 -3.264 -14.019 193 H LYS 29 HN LYS 29 -6.067 -8.584 -14.367 194 HA LYS 29 HA LYS 29 -6.172 -11.540 -14.362 195 HB2 LYS 29 HB2 LYS 29 -3.728 -9.793 -14.890 196 HB3 LYS 29 HB1 LYS 29 -3.756 -11.557 -14.867 197 HG2 LYS 29 HG2 LYS 29 -5.290 -11.537 -16.815 198 HG3 LYS 29 HG1 LYS 29 -5.205 -9.777 -16.847 199 HD2 LYS 29 HD2 LYS 29 -2.733 -9.967 -17.242 200 HD3 LYS 29 HD1 LYS 29 -2.927 -11.720 -17.347 201 HE2 LYS 29 HE2 LYS 29 -4.378 -11.484 -19.292 202 HE3 LYS 29 HE1 LYS 29 -4.340 -9.724 -19.154 203 HZ1 LYS 29 HZ1 LYS 29 -2.837 -10.481 -20.857 204 HZ2 LYS 29 HZ2 LYS 29 -2.031 -11.478 -19.756 205 HZ3 LYS 29 HZ3 LYS 29 -1.957 -9.804 -19.578 206 H SER 30 HN SER 30 -4.971 -12.560 -12.759 207 HA SER 30 HA SER 30 -3.749 -11.253 -10.527 208 HB2 SER 30 HB2 SER 30 -6.193 -10.821 -10.044 209 HB3 SER 30 HB1 SER 30 -6.476 -12.558 -10.065 210 HG SER 30 HG SER 30 -6.201 -11.697 -7.959 211 H CYS 31 HN CYS 31 -3.940 -13.352 -8.671 212 HA CYS 31 HA CYS 31 -2.655 -15.556 -10.164 213 HB2 CYS 31 HB2 CYS 31 -1.488 -16.090 -8.115 214 HB3 CYS 31 HB1 CYS 31 -1.337 -14.361 -8.402 215 H LYS 32 HN LYS 32 -2.954 -17.781 -9.223 216 HA LYS 32 HA LYS 32 -5.589 -18.690 -9.328 217 HB2 LYS 32 HB2 LYS 32 -3.212 -20.050 -7.976 218 HB3 LYS 32 HB1 LYS 32 -4.678 -20.859 -8.503 219 HG2 LYS 32 HG2 LYS 32 -2.801 -19.449 -10.414 220 HG3 LYS 32 HG1 LYS 32 -2.617 -21.143 -9.976 221 HD2 LYS 32 HD2 LYS 32 -5.126 -19.974 -11.233 222 HD3 LYS 32 HD1 LYS 32 -3.828 -20.735 -12.156 223 HE2 LYS 32 HE2 LYS 32 -4.208 -22.847 -10.851 224 HE3 LYS 32 HE1 LYS 32 -5.572 -22.065 -10.046 225 HZ1 LYS 32 HZ1 LYS 32 -6.265 -23.452 -11.911 226 HZ2 LYS 32 HZ2 LYS 32 -5.345 -22.515 -12.977 227 HZ3 LYS 32 HZ3 LYS 32 -6.667 -21.830 -12.169 228 H ALA 33 HN ALA 33 -3.526 -17.996 -6.525 229 HA ALA 33 HA ALA 33 -5.114 -19.028 -4.467 230 HB1 ALA 33 HB1 ALA 33 -2.751 -18.434 -4.182 231 HB2 ALA 33 HB2 ALA 33 -3.743 -17.642 -2.959 232 HB3 ALA 33 HB3 ALA 33 -3.146 -16.720 -4.341 233 H CYS 34 HN CYS 34 -5.043 -15.733 -5.830 234 HA CYS 34 HA CYS 34 -6.770 -14.425 -4.050 235 HB2 CYS 34 HB2 CYS 34 -5.900 -13.847 -6.872 236 HB3 CYS 34 HB1 CYS 34 -7.239 -12.923 -6.211 237 H ILE 35 HN ILE 35 -7.548 -15.946 -7.192 238 HA ILE 35 HA ILE 35 -10.316 -15.222 -7.066 239 HB ILE 35 HB ILE 35 -9.340 -15.386 -9.244 240 HG12 ILE 35 HG12 ILE 35 -10.874 -16.975 -10.432 241 HG13 ILE 35 HG11 ILE 35 -11.277 -17.724 -8.891 242 HG21 ILE 35 HG21 ILE 35 -8.441 -17.458 -10.234 243 HG22 ILE 35 HG22 ILE 35 -8.634 -18.274 -8.681 244 HG23 ILE 35 HG23 ILE 35 -7.513 -16.917 -8.832 245 HD11 ILE 35 HD11 ILE 35 -11.852 -14.860 -9.664 246 HD12 ILE 35 HD12 ILE 35 -12.295 -15.633 -8.138 247 HD13 ILE 35 HD13 ILE 35 -13.006 -16.192 -9.651 248 H ASN 36 HN ASN 36 -8.511 -18.198 -6.377 249 HA ASN 36 HA ASN 36 -10.679 -19.936 -5.887 250 HB2 ASN 36 HB2 ASN 36 -8.337 -20.678 -6.208 251 HB3 ASN 36 HB1 ASN 36 -7.879 -19.947 -4.675 252 HD21 ASN 36 HD21 ASN 36 -8.432 -20.999 -2.756 253 HD22 ASN 36 HD22 ASN 36 -9.025 -22.621 -2.720 254 H GLN 37 HN GLN 37 -9.000 -17.626 -3.841 255 HA GLN 37 HA GLN 37 -10.348 -18.203 -1.378 256 HB2 GLN 37 HB2 GLN 37 -8.120 -17.154 -1.451 257 HB3 GLN 37 HB1 GLN 37 -8.770 -15.775 -2.326 258 HG2 GLN 37 HG2 GLN 37 -10.058 -15.101 -0.360 259 HG3 GLN 37 HG1 GLN 37 -9.505 -16.526 0.518 260 HE21 GLN 37 HE21 GLN 37 -7.341 -16.618 1.222 261 HE22 GLN 37 HE22 GLN 37 -6.348 -15.207 1.314 262 H HIS 38 HN HIS 38 -10.828 -15.910 -4.024 263 HA HIS 38 HA HIS 38 -12.763 -14.216 -2.820 264 HB2 HIS 38 HB2 HIS 38 -11.449 -13.415 -4.692 265 HB3 HIS 38 HB1 HIS 38 -12.012 -14.720 -5.729 266 HD2 HIS 38 HD2 HIS 38 -14.370 -14.253 -7.053 267 HE1 HIS 38 HE1 HIS 38 -15.106 -10.456 -5.358 268 HE2 HIS 38 HE2 HIS 38 -15.663 -12.036 -7.246 269 H LEU 39 HN LEU 39 -13.014 -17.130 -4.797 270 HA LEU 39 HA LEU 39 -15.739 -16.980 -5.506 271 HB2 LEU 39 HB2 LEU 39 -13.805 -19.298 -5.366 272 HB3 LEU 39 HB1 LEU 39 -15.459 -19.512 -5.918 273 HG LEU 39 HG LEU 39 -13.411 -17.680 -7.236 274 HD11 LEU 39 HD11 LEU 39 -12.796 -20.021 -7.537 275 HD12 LEU 39 HD12 LEU 39 -13.344 -19.323 -9.057 276 HD13 LEU 39 HD13 LEU 39 -14.411 -20.394 -8.145 277 HD21 LEU 39 HD21 LEU 39 -16.221 -18.424 -8.134 278 HD22 LEU 39 HD22 LEU 39 -15.058 -17.477 -9.066 279 HD23 LEU 39 HD23 LEU 39 -15.693 -16.842 -7.552 280 H MET 40 HN MET 40 -14.299 -17.838 -2.515 281 HA MET 40 HA MET 40 -16.365 -19.418 -1.371 282 HB2 MET 40 HB2 MET 40 -14.314 -17.604 -0.034 283 HB3 MET 40 HB1 MET 40 -15.349 -18.734 0.830 284 HG2 MET 40 HG2 MET 40 -14.289 -20.604 -0.434 285 HG3 MET 40 HG1 MET 40 -13.212 -19.436 -1.194 286 HE1 MET 40 HE1 MET 40 -14.285 -21.126 2.209 287 HE2 MET 40 HE2 MET 40 -14.449 -19.410 2.583 288 HE3 MET 40 HE3 MET 40 -13.172 -20.363 3.342 289 H ASN 41 HN ASN 41 -15.959 -15.944 -1.780 290 HA ASN 41 HA ASN 41 -18.430 -15.406 -0.234 291 HB2 ASN 41 HB2 ASN 41 -16.255 -14.127 0.311 292 HB3 ASN 41 HB1 ASN 41 -16.437 -13.332 -1.248 293 HD21 ASN 41 HD21 ASN 41 -16.412 -12.119 1.377 294 HD22 ASN 41 HD22 ASN 41 -17.925 -11.311 1.584 295 H ASN 42 HN ASN 42 -16.855 -14.042 -3.197 296 HA ASN 42 HA ASN 42 -19.528 -13.899 -4.507 297 HB2 ASN 42 HB2 ASN 42 -17.277 -11.841 -4.621 298 HB3 ASN 42 HB1 ASN 42 -18.700 -11.803 -5.662 299 HD21 ASN 42 HD21 ASN 42 -17.503 -11.286 -2.451 300 HD22 ASN 42 HD22 ASN 42 -18.922 -10.530 -1.817 301 H LYS 43 HN LYS 43 -19.328 -13.614 -6.945 302 HA LYS 43 HA LYS 43 -17.246 -15.443 -8.028 303 HB2 LYS 43 HB2 LYS 43 -19.872 -14.827 -9.433 304 HB3 LYS 43 HB1 LYS 43 -18.830 -16.229 -9.627 305 HG2 LYS 43 HG2 LYS 43 -20.635 -15.638 -7.256 306 HG3 LYS 43 HG1 LYS 43 -20.933 -16.823 -8.529 307 HD2 LYS 43 HD2 LYS 43 -19.017 -18.156 -7.779 308 HD3 LYS 43 HD1 LYS 43 -18.605 -16.939 -6.569 309 HE2 LYS 43 HE2 LYS 43 -20.754 -17.360 -5.416 310 HE3 LYS 43 HE1 LYS 43 -21.166 -18.575 -6.626 311 HZ1 LYS 43 HZ1 LYS 43 -19.327 -19.911 -5.908 312 HZ2 LYS 43 HZ2 LYS 43 -20.282 -19.519 -4.565 313 HZ3 LYS 43 HZ3 LYS 43 -18.814 -18.719 -4.822 314 H ASP 44 HN ASP 44 -17.457 -12.348 -7.636 315 HA ASP 44 HA ASP 44 -17.693 -11.273 -10.326 316 HB2 ASP 44 HB2 ASP 44 -17.210 -9.920 -7.651 317 HB3 ASP 44 HB1 ASP 44 -17.500 -9.064 -9.161 318 H CYS 45 HN CYS 45 -16.158 -9.596 -11.100 319 HA CYS 45 HA CYS 45 -13.423 -10.649 -11.011 320 HB2 CYS 45 HB2 CYS 45 -14.448 -10.413 -13.196 321 HB3 CYS 45 HB1 CYS 45 -14.794 -8.720 -12.905 322 H PHE 46 HN PHE 46 -13.761 -9.542 -8.709 323 HA PHE 46 HA PHE 46 -12.720 -8.251 -7.194 324 HB2 PHE 46 HB2 PHE 46 -10.649 -8.355 -9.408 325 HB3 PHE 46 HB1 PHE 46 -10.295 -7.678 -7.823 326 HD1 PHE 46 HD2 PHE 46 -11.998 -10.811 -9.083 327 HD2 PHE 46 HD1 PHE 46 -9.040 -9.117 -6.501 328 HE1 PHE 46 HE2 PHE 46 -11.411 -13.055 -8.273 329 HE2 PHE 46 HE1 PHE 46 -8.465 -11.367 -5.698 330 HZ PHE 46 HZ PHE 46 -9.645 -13.331 -6.586 331 H PHE 47 HN PHE 47 -11.473 -6.489 -10.024 332 HA PHE 47 HA PHE 47 -11.606 -3.979 -8.619 333 HB2 PHE 47 HB2 PHE 47 -10.740 -4.514 -11.494 334 HB3 PHE 47 HB1 PHE 47 -10.338 -3.106 -10.517 335 HD1 PHE 47 HD1 PHE 47 -8.775 -3.393 -8.533 336 HD2 PHE 47 HD2 PHE 47 -9.404 -6.514 -11.387 337 HE1 PHE 47 HE1 PHE 47 -6.714 -4.508 -7.779 338 HE2 PHE 47 HE2 PHE 47 -7.342 -7.621 -10.626 339 HZ PHE 47 HZ PHE 47 -5.997 -6.618 -8.823 340 H CYS 48 HN CYS 48 -13.112 -5.367 -11.562 341 HA CYS 48 HA CYS 48 -14.863 -2.993 -11.848 342 HB2 CYS 48 HB2 CYS 48 -15.240 -3.656 -14.124 343 HB3 CYS 48 HB1 CYS 48 -13.513 -3.852 -13.842 344 H LYS 49 HN LYS 49 -14.937 -6.067 -10.520 345 HA LYS 49 HA LYS 49 -16.491 -7.419 -9.630 346 HB2 LYS 49 HB2 LYS 49 -18.191 -4.895 -9.721 347 HB3 LYS 49 HB1 LYS 49 -18.708 -6.366 -8.915 348 HG2 LYS 49 HG2 LYS 49 -17.901 -4.949 -7.205 349 HG3 LYS 49 HG1 LYS 49 -16.647 -6.166 -7.442 350 HD2 LYS 49 HD2 LYS 49 -15.286 -4.573 -8.704 351 HD3 LYS 49 HD1 LYS 49 -16.575 -3.371 -8.636 352 HE2 LYS 49 HE2 LYS 49 -15.056 -4.454 -6.241 353 HE3 LYS 49 HE1 LYS 49 -14.770 -2.896 -7.017 354 HZ1 LYS 49 HZ1 LYS 49 -17.287 -3.724 -5.677 355 HZ2 LYS 49 HZ2 LYS 49 -17.013 -2.231 -6.425 356 HZ3 LYS 49 HZ3 LYS 49 -16.129 -2.664 -5.050 357 H THR 50 HN THR 50 -16.486 -7.137 -12.686 358 HA THR 50 HA THR 50 -19.110 -7.893 -13.556 359 HB THR 50 HB THR 50 -16.421 -8.464 -14.894 360 HG1 THR 50 HG1 THR 50 -18.159 -6.207 -15.077 361 HG21 THR 50 HG21 THR 50 -17.704 -8.503 -17.007 362 HG22 THR 50 HG22 THR 50 -19.212 -8.268 -16.121 363 HG23 THR 50 HG23 THR 50 -18.285 -9.757 -15.911 364 H THR 51 HN THR 51 -20.077 -9.878 -13.300 365 HA THR 51 HA THR 51 -18.934 -11.931 -11.758 366 HB THR 51 HB THR 51 -21.331 -12.172 -13.627 367 HG1 THR 51 HG1 THR 51 -20.957 -10.970 -11.116 368 HG21 THR 51 HG21 THR 51 -20.549 -14.373 -12.791 369 HG22 THR 51 HG22 THR 51 -22.086 -13.934 -12.053 370 HG23 THR 51 HG23 THR 51 -20.595 -13.765 -11.127 371 H ILE 52 HN ILE 52 -17.460 -13.379 -12.297 372 HA ILE 52 HA ILE 52 -16.295 -13.456 -14.904 373 HB ILE 52 HB ILE 52 -15.649 -15.255 -12.524 374 HG12 ILE 52 HG12 ILE 52 -14.371 -12.563 -13.200 375 HG13 ILE 52 HG11 ILE 52 -15.576 -12.791 -11.937 376 HG21 ILE 52 HG21 ILE 52 -14.654 -16.031 -14.640 377 HG22 ILE 52 HG22 ILE 52 -13.403 -15.423 -13.559 378 HG23 ILE 52 HG23 ILE 52 -13.946 -14.436 -14.916 379 HD11 ILE 52 HD11 ILE 52 -13.332 -12.678 -11.043 380 HD12 ILE 52 HD12 ILE 52 -12.847 -14.069 -12.010 381 HD13 ILE 52 HD13 ILE 52 -14.053 -14.254 -10.733 382 H VAL 53 HN VAL 53 -16.713 -14.827 -16.516 383 HA VAL 53 HA VAL 53 -18.676 -16.960 -16.188 384 HB VAL 53 HB VAL 53 -17.278 -16.022 -18.738 385 HG11 VAL 53 HG11 VAL 53 -19.845 -17.613 -18.378 386 HG12 VAL 53 HG12 VAL 53 -18.304 -18.251 -18.951 387 HG13 VAL 53 HG13 VAL 53 -19.177 -17.065 -19.920 388 HG21 VAL 53 HG21 VAL 53 -18.475 -14.132 -17.710 389 HG22 VAL 53 HG22 VAL 53 -19.948 -15.096 -17.605 390 HG23 VAL 53 HG23 VAL 53 -19.294 -14.654 -19.183 391 H SER 54 HN SER 54 -15.258 -16.565 -17.127 392 HA SER 54 HA SER 54 -14.656 -19.313 -16.318 393 HB2 SER 54 HB2 SER 54 -13.893 -18.237 -19.077 394 HB3 SER 54 HB1 SER 54 -13.398 -19.793 -18.406 395 HG SER 54 HG SER 54 -15.963 -19.846 -18.200 396 H VAL 55 HN VAL 55 -12.539 -19.546 -15.556 397 HA VAL 55 HA VAL 55 -10.784 -17.149 -15.554 398 HB VAL 55 HB VAL 55 -10.770 -19.404 -13.485 399 HG11 VAL 55 HG11 VAL 55 -9.338 -17.885 -12.153 400 HG12 VAL 55 HG12 VAL 55 -9.385 -16.696 -13.457 401 HG13 VAL 55 HG13 VAL 55 -8.606 -18.256 -13.717 402 HG21 VAL 55 HG21 VAL 55 -11.852 -17.842 -11.906 403 HG22 VAL 55 HG22 VAL 55 -12.891 -18.163 -13.294 404 HG23 VAL 55 HG23 VAL 55 -12.008 -16.641 -13.190 405 H GLU 56 HN GLU 56 -9.356 -17.518 -17.207 406 HA GLU 56 HA GLU 56 -8.357 -20.216 -17.765 407 HB2 GLU 56 HB2 GLU 56 -7.698 -17.602 -19.210 408 HB3 GLU 56 HB1 GLU 56 -7.264 -19.225 -19.741 409 HG2 GLU 56 HG2 GLU 56 -9.804 -19.688 -19.822 410 HG3 GLU 56 HG1 GLU 56 -10.009 -17.945 -19.685 411 H ASP 57 HN ASP 57 -6.239 -20.864 -17.486 412 HA ASP 57 HA ASP 57 -4.541 -19.455 -15.649 413 HB2 ASP 57 HB2 ASP 57 -4.215 -22.005 -17.283 414 HB3 ASP 57 HB1 ASP 57 -2.867 -21.335 -16.370 415 H TRP 58 HN TRP 58 -3.719 -17.580 -16.371 416 HA TRP 58 HA TRP 58 -2.935 -17.066 -19.077 417 HB2 TRP 58 HB2 TRP 58 -3.767 -15.240 -17.613 418 HB3 TRP 58 HB1 TRP 58 -2.387 -15.452 -16.536 419 HD1 TRP 58 HD1 TRP 58 -3.039 -14.515 -20.264 420 HE1 TRP 58 HE1 TRP 58 -1.231 -12.844 -21.009 421 HE3 TRP 58 HE3 TRP 58 -0.193 -14.418 -15.997 422 HZ2 TRP 58 HZ2 TRP 58 1.070 -11.631 -19.932 423 HZ3 TRP 58 HZ3 TRP 58 1.805 -12.980 -15.941 424 HH2 TRP 58 HH2 TRP 58 2.425 -11.615 -17.874 425 H GLU 59 HN GLU 59 -1.393 -18.581 -19.630 426 HA GLU 59 HA GLU 59 1.155 -18.800 -18.244 427 HB2 GLU 59 HB2 GLU 59 0.269 -19.878 -20.957 428 HB3 GLU 59 HB1 GLU 59 1.729 -20.351 -20.090 429 HG2 GLU 59 HG2 GLU 59 0.353 -21.324 -18.291 430 HG3 GLU 59 HG1 GLU 59 -1.115 -20.820 -19.125 431 H LYS 60 HN LYS 60 2.716 -17.307 -18.540 432 HA LYS 60 HA LYS 60 2.295 -15.064 -20.261 433 HB2 LYS 60 HB2 LYS 60 4.366 -14.160 -19.287 434 HB3 LYS 60 HB1 LYS 60 3.287 -14.781 -18.046 435 HG2 LYS 60 HG2 LYS 60 4.687 -16.798 -17.814 436 HG3 LYS 60 HG1 LYS 60 5.749 -16.219 -19.099 437 HD2 LYS 60 HD2 LYS 60 6.810 -15.731 -16.973 438 HD3 LYS 60 HD1 LYS 60 6.293 -14.206 -17.690 439 HE2 LYS 60 HE2 LYS 60 5.777 -14.142 -15.334 440 HE3 LYS 60 HE1 LYS 60 4.252 -14.288 -16.208 441 HZ1 LYS 60 HZ1 LYS 60 5.713 -16.493 -14.854 442 HZ2 LYS 60 HZ2 LYS 60 4.286 -16.675 -15.742 443 HZ3 LYS 60 HZ3 LYS 60 4.285 -15.755 -14.324 444 H GLY 61 HN GLY 61 3.962 -18.025 -20.706 445 HA2 GLY 61 HA2 GLY 61 4.293 -18.083 -23.347 446 HA3 GLY 61 HA1 GLY 61 5.674 -17.091 -22.891 Start of MODEL 8 1 H1 SER 1 HT1 SER 1 3.220 -5.586 1.667 2 H2 SER 1 HT2 SER 1 2.528 -4.344 2.580 3 H3 SER 1 HT3 SER 1 3.885 -5.168 3.165 4 HA SER 1 HA SER 1 4.451 -2.993 2.333 5 HB2 SER 1 HB2 SER 1 6.130 -4.820 2.245 6 HB3 SER 1 HB1 SER 1 5.551 -5.285 0.644 7 HG SER 1 HG SER 1 7.426 -3.907 0.618 8 H HIS 2 HN HIS 2 3.665 -1.425 1.091 9 HA HIS 2 HA HIS 2 2.180 -1.993 -1.359 10 HB2 HIS 2 HB2 HIS 2 1.567 0.427 -1.286 11 HB3 HIS 2 HB1 HIS 2 1.163 -0.411 0.206 12 HD2 HIS 2 HD2 HIS 2 2.248 0.630 2.476 13 HE1 HIS 2 HE1 HIS 2 4.805 3.411 0.580 14 HE2 HIS 2 HE2 HIS 2 4.051 2.453 2.800 15 H MET 3 HN MET 3 5.370 -1.733 -0.787 16 HA MET 3 HA MET 3 5.981 0.068 -3.060 17 HB2 MET 3 HB2 MET 3 8.185 0.486 -1.873 18 HB3 MET 3 HB1 MET 3 6.767 1.110 -1.050 19 HG2 MET 3 HG2 MET 3 6.828 -0.785 0.514 20 HG3 MET 3 HG1 MET 3 8.242 -1.430 -0.318 21 HE1 MET 3 HE1 MET 3 6.847 1.478 1.978 22 HE2 MET 3 HE2 MET 3 7.421 2.376 0.569 23 HE3 MET 3 HE3 MET 3 8.260 2.523 2.113 24 HA PRO 4 HA PRO 4 8.062 -3.732 -4.617 25 HB2 PRO 4 HB2 PRO 4 7.021 -3.814 -7.088 26 HB3 PRO 4 HB1 PRO 4 6.066 -4.366 -5.701 27 HG2 PRO 4 HG2 PRO 4 5.902 -1.772 -7.209 28 HG3 PRO 4 HG1 PRO 4 4.591 -2.767 -6.546 29 HD2 PRO 4 HD2 PRO 4 5.705 -0.487 -5.310 30 HD3 PRO 4 HD1 PRO 4 4.699 -1.711 -4.506 31 H THR 5 HN THR 5 9.280 -3.805 -6.916 32 HA THR 5 HA THR 5 10.296 -1.201 -7.782 33 HB THR 5 HB THR 5 11.827 -1.641 -5.947 34 HG1 THR 5 HG1 THR 5 13.168 -2.298 -8.386 35 HG21 THR 5 HG21 THR 5 12.434 -4.349 -7.204 36 HG22 THR 5 HG22 THR 5 11.567 -4.080 -5.689 37 HG23 THR 5 HG23 THR 5 13.273 -3.648 -5.824 38 H SER 6 HN SER 6 10.484 -4.722 -8.070 39 HA SER 6 HA SER 6 11.160 -4.538 -10.935 40 HB2 SER 6 HB2 SER 6 11.190 -6.973 -9.092 41 HB3 SER 6 HB1 SER 6 11.873 -6.870 -10.716 42 HG SER 6 HG SER 6 13.225 -5.125 -9.754 43 H GLU 7 HN GLU 7 8.970 -3.847 -11.447 44 HA GLU 7 HA GLU 7 6.675 -5.491 -10.931 45 HB2 GLU 7 HB2 GLU 7 7.022 -3.341 -13.076 46 HB3 GLU 7 HB1 GLU 7 5.491 -4.016 -12.519 47 HG2 GLU 7 HG2 GLU 7 5.969 -3.076 -10.235 48 HG3 GLU 7 HG1 GLU 7 7.410 -2.306 -10.898 49 H GLU 8 HN GLU 8 7.025 -7.563 -11.616 50 HA GLU 8 HA GLU 8 7.496 -8.085 -14.500 51 HB2 GLU 8 HB2 GLU 8 9.360 -8.759 -12.912 52 HB3 GLU 8 HB1 GLU 8 8.237 -9.876 -12.148 53 HG2 GLU 8 HG2 GLU 8 8.003 -11.087 -14.278 54 HG3 GLU 8 HG1 GLU 8 9.139 -9.969 -15.035 55 H ASP 9 HN ASP 9 5.151 -7.725 -14.574 56 HA ASP 9 HA ASP 9 2.956 -8.218 -14.570 57 HB2 ASP 9 HB2 ASP 9 4.183 -10.957 -14.954 58 HB3 ASP 9 HB1 ASP 9 2.433 -10.794 -14.861 59 H LEU 10 HN LEU 10 4.064 -7.804 -12.005 60 HA LEU 10 HA LEU 10 3.399 -9.806 -10.123 61 HB2 LEU 10 HB2 LEU 10 3.799 -6.817 -9.743 62 HB3 LEU 10 HB1 LEU 10 3.644 -7.970 -8.424 63 HG LEU 10 HG LEU 10 5.914 -7.780 -10.440 64 HD11 LEU 10 HD11 LEU 10 7.302 -7.382 -8.451 65 HD12 LEU 10 HD12 LEU 10 5.872 -7.507 -7.418 66 HD13 LEU 10 HD13 LEU 10 6.017 -6.180 -8.579 67 HD21 LEU 10 HD21 LEU 10 5.459 -10.175 -10.089 68 HD22 LEU 10 HD22 LEU 10 5.491 -9.948 -8.338 69 HD23 LEU 10 HD23 LEU 10 6.960 -9.714 -9.289 70 H CYS 11 HN CYS 11 1.506 -10.415 -9.334 71 HA CYS 11 HA CYS 11 -1.034 -9.452 -9.882 72 HB2 CYS 11 HB2 CYS 11 -0.615 -11.671 -8.811 73 HB3 CYS 11 HB1 CYS 11 -0.061 -10.861 -7.348 74 HA PRO 12 HA PRO 12 -0.419 -5.424 -7.804 75 HB2 PRO 12 HB2 PRO 12 -3.069 -4.530 -8.065 76 HB3 PRO 12 HB1 PRO 12 -1.813 -4.363 -9.296 77 HG2 PRO 12 HG2 PRO 12 -3.957 -6.463 -9.041 78 HG3 PRO 12 HG1 PRO 12 -3.399 -5.605 -10.495 79 HD2 PRO 12 HD2 PRO 12 -2.610 -8.109 -9.999 80 HD3 PRO 12 HD1 PRO 12 -1.462 -6.934 -10.678 81 H ILE 13 HN ILE 13 -3.004 -7.628 -6.951 82 HA ILE 13 HA ILE 13 -3.853 -6.495 -4.507 83 HB ILE 13 HB ILE 13 -3.983 -9.409 -5.407 84 HG12 ILE 13 HG12 ILE 13 -6.060 -7.206 -5.856 85 HG13 ILE 13 HG11 ILE 13 -4.959 -7.802 -7.093 86 HG21 ILE 13 HG21 ILE 13 -5.706 -7.936 -3.378 87 HG22 ILE 13 HG22 ILE 13 -4.511 -9.183 -3.018 88 HG23 ILE 13 HG23 ILE 13 -5.966 -9.596 -3.924 89 HD11 ILE 13 HD11 ILE 13 -7.119 -9.397 -5.718 90 HD12 ILE 13 HD12 ILE 13 -6.012 -10.013 -6.949 91 HD13 ILE 13 HD13 ILE 13 -7.168 -8.746 -7.356 92 H CYS 14 HN CYS 14 -1.265 -8.787 -5.296 93 HA CYS 14 HA CYS 14 -0.744 -9.360 -2.436 94 HB2 CYS 14 HB2 CYS 14 0.030 -10.944 -4.910 95 HB3 CYS 14 HB1 CYS 14 0.409 -11.396 -3.249 96 H TYR 15 HN TYR 15 0.612 -7.894 -5.247 97 HA TYR 15 HA TYR 15 2.536 -7.036 -5.934 98 HB2 TYR 15 HB2 TYR 15 3.344 -7.108 -3.001 99 HB3 TYR 15 HB1 TYR 15 4.247 -6.288 -4.271 100 HD1 TYR 15 HD1 TYR 15 1.129 -6.216 -2.262 101 HD2 TYR 15 HD2 TYR 15 3.458 -4.150 -5.193 102 HE1 TYR 15 HE1 TYR 15 -0.247 -4.198 -1.932 103 HE2 TYR 15 HE2 TYR 15 2.085 -2.139 -4.854 104 HH TYR 15 HH TYR 15 -0.037 -1.771 -2.228 105 H ALA 16 HN ALA 16 3.371 -9.606 -3.566 106 HA ALA 16 HA ALA 16 6.012 -9.912 -4.372 107 HB1 ALA 16 HB1 ALA 16 5.165 -10.559 -2.173 108 HB2 ALA 16 HB2 ALA 16 6.033 -11.892 -2.935 109 HB3 ALA 16 HB3 ALA 16 4.267 -11.892 -2.900 110 H HIS 17 HN HIS 17 3.177 -11.813 -5.413 111 HA HIS 17 HA HIS 17 4.898 -13.500 -7.141 112 HB2 HIS 17 HB2 HIS 17 2.147 -14.001 -5.940 113 HB3 HIS 17 HB1 HIS 17 2.800 -15.005 -7.228 114 HD1 HIS 17 HD1 HIS 17 2.176 -16.565 -4.875 115 HD2 HIS 17 HD2 HIS 17 5.784 -14.505 -5.089 116 HE1 HIS 17 HE1 HIS 17 3.716 -17.717 -3.277 117 HE2 HIS 17 HE2 HIS 17 5.817 -16.360 -3.297 118 HA PRO 18 HA PRO 18 3.142 -11.485 -10.718 119 HB2 PRO 18 HB2 PRO 18 3.555 -13.322 -12.662 120 HB3 PRO 18 HB1 PRO 18 4.908 -12.526 -11.841 121 HG2 PRO 18 HG2 PRO 18 3.698 -15.242 -11.299 122 HG3 PRO 18 HG1 PRO 18 5.411 -14.804 -11.495 123 HD2 PRO 18 HD2 PRO 18 4.257 -15.094 -9.042 124 HD3 PRO 18 HD1 PRO 18 5.567 -13.929 -9.341 125 H ILE 19 HN ILE 19 1.797 -12.364 -12.852 126 HA ILE 19 HA ILE 19 -0.852 -13.054 -11.941 127 HB ILE 19 HB ILE 19 0.277 -12.639 -14.746 128 HG12 ILE 19 HG12 ILE 19 -1.565 -10.801 -13.137 129 HG13 ILE 19 HG11 ILE 19 0.176 -10.590 -13.236 130 HG21 ILE 19 HG21 ILE 19 -2.635 -13.008 -13.940 131 HG22 ILE 19 HG22 ILE 19 -1.663 -14.140 -14.883 132 HG23 ILE 19 HG23 ILE 19 -2.067 -12.561 -15.552 133 HD11 ILE 19 HD11 ILE 19 -1.741 -10.442 -15.564 134 HD12 ILE 19 HD12 ILE 19 0.006 -10.185 -15.636 135 HD13 ILE 19 HD13 ILE 19 -1.014 -9.076 -14.720 136 H SER 20 HN SER 20 -1.766 -15.007 -11.956 137 HA SER 20 HA SER 20 -0.517 -17.308 -13.328 138 HB2 SER 20 HB2 SER 20 0.055 -17.451 -10.960 139 HB3 SER 20 HB1 SER 20 -1.622 -17.192 -10.491 140 HG SER 20 HG SER 20 -0.532 -19.434 -11.851 141 H ALA 21 HN ALA 21 -3.200 -15.344 -13.086 142 HA ALA 21 HA ALA 21 -4.982 -17.268 -14.356 143 HB1 ALA 21 HB1 ALA 21 -6.831 -16.900 -12.773 144 HB2 ALA 21 HB2 ALA 21 -5.788 -15.905 -11.755 145 HB3 ALA 21 HB3 ALA 21 -5.446 -17.623 -11.955 146 H VAL 22 HN VAL 22 -6.857 -16.284 -15.263 147 HA VAL 22 HA VAL 22 -6.927 -13.371 -15.480 148 HB VAL 22 HB VAL 22 -5.658 -13.976 -17.451 149 HG11 VAL 22 HG11 VAL 22 -7.807 -16.019 -18.139 150 HG12 VAL 22 HG12 VAL 22 -6.166 -16.376 -17.595 151 HG13 VAL 22 HG13 VAL 22 -6.425 -15.594 -19.154 152 HG21 VAL 22 HG21 VAL 22 -7.128 -13.164 -19.266 153 HG22 VAL 22 HG22 VAL 22 -7.394 -12.247 -17.783 154 HG23 VAL 22 HG23 VAL 22 -8.553 -13.486 -18.273 155 H PHE 23 HN PHE 23 -8.879 -12.708 -15.059 156 HA PHE 23 HA PHE 23 -11.160 -14.431 -14.759 157 HB2 PHE 23 HB2 PHE 23 -11.134 -11.371 -14.692 158 HB3 PHE 23 HB1 PHE 23 -12.351 -12.433 -13.998 159 HD1 PHE 23 HD1 PHE 23 -9.940 -14.306 -12.816 160 HD2 PHE 23 HD2 PHE 23 -11.036 -10.180 -12.537 161 HE1 PHE 23 HE1 PHE 23 -8.808 -14.140 -10.644 162 HE2 PHE 23 HE2 PHE 23 -9.901 -10.031 -10.363 163 HZ PHE 23 HZ PHE 23 -8.782 -12.004 -9.417 164 H GLN 24 HN GLN 24 -11.530 -15.262 -16.855 165 HA GLN 24 HA GLN 24 -11.861 -13.411 -19.086 166 HB2 GLN 24 HB2 GLN 24 -11.351 -16.351 -18.836 167 HB3 GLN 24 HB1 GLN 24 -12.288 -15.853 -20.241 168 HG2 GLN 24 HG2 GLN 24 -10.536 -14.307 -20.918 169 HG3 GLN 24 HG1 GLN 24 -9.581 -14.711 -19.491 170 HE21 GLN 24 HE21 GLN 24 -11.303 -17.063 -21.482 171 HE22 GLN 24 HE22 GLN 24 -9.895 -17.836 -22.109 172 HA PRO 25 HA PRO 25 -12.727 -13.459 -21.091 173 HB2 PRO 25 HB2 PRO 25 -14.510 -12.389 -22.727 174 HB3 PRO 25 HB1 PRO 25 -14.600 -14.124 -22.368 175 HG2 PRO 25 HG2 PRO 25 -16.198 -11.860 -21.176 176 HG3 PRO 25 HG1 PRO 25 -16.774 -13.422 -21.796 177 HD2 PRO 25 HD2 PRO 25 -16.239 -12.862 -19.106 178 HD3 PRO 25 HD1 PRO 25 -16.307 -14.495 -19.803 179 H CYS 26 HN CYS 26 -13.509 -11.732 -18.544 180 HA CYS 26 HA CYS 26 -13.877 -9.059 -19.518 181 HB2 CYS 26 HB2 CYS 26 -14.706 -9.820 -17.272 182 HB3 CYS 26 HB1 CYS 26 -13.039 -9.854 -16.703 183 H GLY 27 HN GLY 27 -11.057 -10.972 -18.689 184 HA2 GLY 27 HA2 GLY 27 -8.925 -10.608 -19.561 185 HA3 GLY 27 HA1 GLY 27 -9.342 -8.942 -19.905 186 H HIS 28 HN HIS 28 -10.328 -8.865 -16.936 187 HA HIS 28 HA HIS 28 -8.039 -7.749 -15.755 188 HB2 HIS 28 HB2 HIS 28 -10.782 -8.508 -14.763 189 HB3 HIS 28 HB1 HIS 28 -9.551 -8.242 -13.533 190 HD2 HIS 28 HD2 HIS 28 -8.139 -5.648 -14.136 191 HE1 HIS 28 HE1 HIS 28 -11.841 -3.927 -15.139 192 HE2 HIS 28 HE2 HIS 28 -9.396 -3.481 -14.722 193 H LYS 29 HN LYS 29 -6.299 -8.688 -14.873 194 HA LYS 29 HA LYS 29 -6.356 -11.600 -14.351 195 HB2 LYS 29 HB2 LYS 29 -3.978 -9.884 -15.140 196 HB3 LYS 29 HB1 LYS 29 -3.970 -11.628 -14.905 197 HG2 LYS 29 HG2 LYS 29 -5.633 -11.782 -16.810 198 HG3 LYS 29 HG1 LYS 29 -5.342 -10.067 -17.106 199 HD2 LYS 29 HD2 LYS 29 -2.873 -10.652 -17.369 200 HD3 LYS 29 HD1 LYS 29 -3.346 -12.353 -17.309 201 HE2 LYS 29 HE2 LYS 29 -3.109 -11.691 -19.625 202 HE3 LYS 29 HE1 LYS 29 -4.819 -11.962 -19.290 203 HZ1 LYS 29 HZ1 LYS 29 -5.114 -9.571 -19.079 204 HZ2 LYS 29 HZ2 LYS 29 -4.458 -9.958 -20.590 205 HZ3 LYS 29 HZ3 LYS 29 -3.470 -9.320 -19.378 206 H SER 30 HN SER 30 -5.013 -12.422 -12.740 207 HA SER 30 HA SER 30 -3.487 -10.880 -10.889 208 HB2 SER 30 HB2 SER 30 -4.809 -11.283 -8.853 209 HB3 SER 30 HB1 SER 30 -5.830 -10.428 -10.007 210 HG SER 30 HG SER 30 -6.663 -12.534 -10.586 211 H CYS 31 HN CYS 31 -3.314 -12.760 -8.805 212 HA CYS 31 HA CYS 31 -2.324 -15.174 -10.119 213 HB2 CYS 31 HB2 CYS 31 -1.373 -15.762 -7.997 214 HB3 CYS 31 HB1 CYS 31 -1.110 -14.033 -8.198 215 H LYS 32 HN LYS 32 -3.051 -17.326 -9.450 216 HA LYS 32 HA LYS 32 -5.883 -17.533 -9.628 217 HB2 LYS 32 HB2 LYS 32 -3.985 -19.077 -10.564 218 HB3 LYS 32 HB1 LYS 32 -4.046 -19.870 -9.002 219 HG2 LYS 32 HG2 LYS 32 -6.487 -19.575 -10.783 220 HG3 LYS 32 HG1 LYS 32 -5.362 -20.918 -10.951 221 HD2 LYS 32 HD2 LYS 32 -6.974 -20.273 -8.452 222 HD3 LYS 32 HD1 LYS 32 -7.376 -21.518 -9.638 223 HE2 LYS 32 HE2 LYS 32 -5.238 -22.685 -9.112 224 HE3 LYS 32 HE1 LYS 32 -4.879 -21.456 -7.898 225 HZ1 LYS 32 HZ1 LYS 32 -5.816 -23.403 -6.871 226 HZ2 LYS 32 HZ2 LYS 32 -7.175 -23.331 -7.874 227 HZ3 LYS 32 HZ3 LYS 32 -6.909 -22.120 -6.729 228 H ALA 33 HN ALA 33 -3.581 -17.720 -6.991 229 HA ALA 33 HA ALA 33 -5.081 -18.858 -4.939 230 HB1 ALA 33 HB1 ALA 33 -3.572 -17.667 -3.398 231 HB2 ALA 33 HB2 ALA 33 -3.037 -16.617 -4.714 232 HB3 ALA 33 HB3 ALA 33 -2.678 -18.344 -4.761 233 H CYS 34 HN CYS 34 -5.028 -15.478 -6.055 234 HA CYS 34 HA CYS 34 -6.644 -14.243 -4.147 235 HB2 CYS 34 HB2 CYS 34 -5.974 -13.625 -7.012 236 HB3 CYS 34 HB1 CYS 34 -7.346 -12.778 -6.313 237 H ILE 35 HN ILE 35 -7.639 -15.593 -7.288 238 HA ILE 35 HA ILE 35 -10.407 -15.072 -6.815 239 HB ILE 35 HB ILE 35 -9.331 -14.971 -9.073 240 HG12 ILE 35 HG12 ILE 35 -11.223 -16.003 -10.320 241 HG13 ILE 35 HG11 ILE 35 -11.702 -16.883 -8.874 242 HG21 ILE 35 HG21 ILE 35 -8.937 -17.035 -10.356 243 HG22 ILE 35 HG22 ILE 35 -9.301 -18.003 -8.928 244 HG23 ILE 35 HG23 ILE 35 -7.889 -16.945 -8.940 245 HD11 ILE 35 HD11 ILE 35 -13.104 -14.946 -9.270 246 HD12 ILE 35 HD12 ILE 35 -11.700 -13.882 -9.202 247 HD13 ILE 35 HD13 ILE 35 -12.211 -14.767 -7.761 248 H ASN 36 HN ASN 36 -8.305 -17.766 -6.182 249 HA ASN 36 HA ASN 36 -10.198 -19.879 -6.100 250 HB2 ASN 36 HB2 ASN 36 -7.675 -20.152 -6.096 251 HB3 ASN 36 HB1 ASN 36 -7.659 -19.619 -4.418 252 HD21 ASN 36 HD21 ASN 36 -8.627 -21.002 -2.823 253 HD22 ASN 36 HD22 ASN 36 -8.840 -22.692 -3.119 254 H GLN 37 HN GLN 37 -9.016 -17.599 -3.653 255 HA GLN 37 HA GLN 37 -10.707 -18.522 -1.515 256 HB2 GLN 37 HB2 GLN 37 -8.459 -17.312 -1.303 257 HB3 GLN 37 HB1 GLN 37 -9.294 -15.827 -1.734 258 HG2 GLN 37 HG2 GLN 37 -10.097 -17.505 0.663 259 HG3 GLN 37 HG1 GLN 37 -8.843 -16.274 0.761 260 HE21 GLN 37 HE21 GLN 37 -11.444 -16.470 2.131 261 HE22 GLN 37 HE22 GLN 37 -12.269 -14.996 1.776 262 H HIS 38 HN HIS 38 -10.944 -16.084 -4.036 263 HA HIS 38 HA HIS 38 -13.132 -14.573 -3.032 264 HB2 HIS 38 HB2 HIS 38 -11.443 -13.875 -4.789 265 HB3 HIS 38 HB1 HIS 38 -12.270 -14.912 -5.933 266 HD2 HIS 38 HD2 HIS 38 -14.482 -13.783 -7.147 267 HE1 HIS 38 HE1 HIS 38 -14.228 -10.083 -5.098 268 HE2 HIS 38 HE2 HIS 38 -15.361 -11.348 -6.973 269 H LEU 39 HN LEU 39 -12.949 -17.408 -5.170 270 HA LEU 39 HA LEU 39 -15.715 -17.413 -5.942 271 HB2 LEU 39 HB2 LEU 39 -13.550 -19.513 -6.244 272 HB3 LEU 39 HB1 LEU 39 -15.174 -19.711 -6.880 273 HG LEU 39 HG LEU 39 -13.136 -17.628 -7.755 274 HD11 LEU 39 HD11 LEU 39 -12.657 -19.861 -8.627 275 HD12 LEU 39 HD12 LEU 39 -13.182 -18.787 -9.921 276 HD13 LEU 39 HD13 LEU 39 -14.300 -19.986 -9.265 277 HD21 LEU 39 HD21 LEU 39 -14.783 -16.929 -9.460 278 HD22 LEU 39 HD22 LEU 39 -15.355 -16.613 -7.825 279 HD23 LEU 39 HD23 LEU 39 -15.990 -17.992 -8.726 280 H MET 40 HN MET 40 -14.347 -18.181 -3.019 281 HA MET 40 HA MET 40 -15.972 -20.417 -2.241 282 HB2 MET 40 HB2 MET 40 -14.501 -18.362 -0.541 283 HB3 MET 40 HB1 MET 40 -15.253 -19.824 0.085 284 HG2 MET 40 HG2 MET 40 -13.693 -21.209 -1.177 285 HG3 MET 40 HG1 MET 40 -12.992 -19.776 -1.931 286 HE1 MET 40 HE1 MET 40 -11.257 -22.051 -0.393 287 HE2 MET 40 HE2 MET 40 -10.125 -21.022 0.483 288 HE3 MET 40 HE3 MET 40 -10.546 -20.639 -1.186 289 H ASN 41 HN ASN 41 -16.661 -17.102 -2.725 290 HA ASN 41 HA ASN 41 -19.433 -17.517 -1.900 291 HB2 ASN 41 HB2 ASN 41 -18.385 -16.471 0.109 292 HB3 ASN 41 HB1 ASN 41 -17.820 -15.131 -0.887 293 HD21 ASN 41 HD21 ASN 41 -20.642 -16.666 0.522 294 HD22 ASN 41 HD22 ASN 41 -21.696 -15.308 0.357 295 H ASN 42 HN ASN 42 -17.132 -15.053 -3.067 296 HA ASN 42 HA ASN 42 -19.097 -13.706 -4.725 297 HB2 ASN 42 HB2 ASN 42 -16.093 -13.235 -4.580 298 HB3 ASN 42 HB1 ASN 42 -17.300 -12.120 -5.213 299 HD21 ASN 42 HD21 ASN 42 -15.328 -11.686 -3.131 300 HD22 ASN 42 HD22 ASN 42 -16.207 -11.239 -1.711 301 H LYS 43 HN LYS 43 -18.255 -13.097 -7.106 302 HA LYS 43 HA LYS 43 -16.885 -15.197 -8.547 303 HB2 LYS 43 HB2 LYS 43 -19.199 -16.158 -8.076 304 HB3 LYS 43 HB1 LYS 43 -19.877 -14.850 -9.035 305 HG2 LYS 43 HG2 LYS 43 -18.634 -15.694 -11.024 306 HG3 LYS 43 HG1 LYS 43 -18.010 -17.029 -10.044 307 HD2 LYS 43 HD2 LYS 43 -20.329 -17.815 -9.652 308 HD3 LYS 43 HD1 LYS 43 -20.946 -16.478 -10.626 309 HE2 LYS 43 HE2 LYS 43 -19.750 -17.388 -12.600 310 HE3 LYS 43 HE1 LYS 43 -19.177 -18.740 -11.622 311 HZ1 LYS 43 HZ1 LYS 43 -21.129 -19.309 -12.956 312 HZ2 LYS 43 HZ2 LYS 43 -22.027 -18.114 -12.167 313 HZ3 LYS 43 HZ3 LYS 43 -21.448 -19.442 -11.303 314 H ASP 44 HN ASP 44 -16.038 -12.765 -8.504 315 HA ASP 44 HA ASP 44 -16.640 -11.494 -11.055 316 HB2 ASP 44 HB2 ASP 44 -17.263 -9.308 -10.078 317 HB3 ASP 44 HB1 ASP 44 -18.418 -10.549 -9.610 318 H CYS 45 HN CYS 45 -15.296 -9.420 -11.277 319 HA CYS 45 HA CYS 45 -12.560 -9.823 -10.575 320 HB2 CYS 45 HB2 CYS 45 -14.005 -7.361 -11.614 321 HB3 CYS 45 HB1 CYS 45 -12.264 -7.484 -11.458 322 H PHE 46 HN PHE 46 -11.470 -9.097 -8.771 323 HA PHE 46 HA PHE 46 -12.550 -7.742 -6.568 324 HB2 PHE 46 HB2 PHE 46 -9.667 -7.733 -7.576 325 HB3 PHE 46 HB1 PHE 46 -10.169 -7.169 -5.987 326 HD1 PHE 46 HD2 PHE 46 -10.006 -10.204 -8.159 327 HD2 PHE 46 HD1 PHE 46 -10.405 -8.695 -4.175 328 HE1 PHE 46 HE2 PHE 46 -9.676 -12.470 -7.259 329 HE2 PHE 46 HE1 PHE 46 -10.077 -10.968 -3.290 330 HZ PHE 46 HZ PHE 46 -9.708 -12.850 -4.828 331 H PHE 47 HN PHE 47 -11.191 -6.590 -9.569 332 HA PHE 47 HA PHE 47 -10.748 -3.863 -8.820 333 HB2 PHE 47 HB2 PHE 47 -10.774 -5.051 -11.630 334 HB3 PHE 47 HB1 PHE 47 -9.955 -3.585 -11.099 335 HD1 PHE 47 HD1 PHE 47 -7.903 -3.750 -9.652 336 HD2 PHE 47 HD2 PHE 47 -9.755 -7.237 -11.311 337 HE1 PHE 47 HE1 PHE 47 -5.878 -5.066 -9.176 338 HE2 PHE 47 HE2 PHE 47 -7.717 -8.539 -10.836 339 HZ PHE 47 HZ PHE 47 -5.780 -7.456 -9.766 340 H CYS 48 HN CYS 48 -12.757 -5.092 -11.550 341 HA CYS 48 HA CYS 48 -14.281 -2.596 -11.518 342 HB2 CYS 48 HB2 CYS 48 -14.815 -3.017 -13.779 343 HB3 CYS 48 HB1 CYS 48 -13.170 -3.630 -13.623 344 H LYS 49 HN LYS 49 -14.702 -5.697 -10.276 345 HA LYS 49 HA LYS 49 -16.379 -6.837 -9.315 346 HB2 LYS 49 HB2 LYS 49 -16.860 -4.271 -8.641 347 HB3 LYS 49 HB1 LYS 49 -18.337 -4.545 -9.538 348 HG2 LYS 49 HG2 LYS 49 -17.503 -6.352 -7.241 349 HG3 LYS 49 HG1 LYS 49 -18.370 -4.844 -6.961 350 HD2 LYS 49 HD2 LYS 49 -19.378 -7.196 -8.612 351 HD3 LYS 49 HD1 LYS 49 -19.895 -6.782 -6.975 352 HE2 LYS 49 HE2 LYS 49 -20.884 -4.691 -7.767 353 HE3 LYS 49 HE1 LYS 49 -20.249 -4.966 -9.391 354 HZ1 LYS 49 HZ1 LYS 49 -22.551 -5.549 -9.311 355 HZ2 LYS 49 HZ2 LYS 49 -22.304 -6.600 -8.008 356 HZ3 LYS 49 HZ3 LYS 49 -21.643 -6.961 -9.524 357 H THR 50 HN THR 50 -16.225 -6.537 -12.410 358 HA THR 50 HA THR 50 -18.857 -7.267 -13.337 359 HB THR 50 HB THR 50 -16.140 -7.440 -14.707 360 HG1 THR 50 HG1 THR 50 -18.311 -5.597 -14.961 361 HG21 THR 50 HG21 THR 50 -18.894 -7.828 -15.967 362 HG22 THR 50 HG22 THR 50 -17.660 -9.077 -15.776 363 HG23 THR 50 HG23 THR 50 -17.367 -7.707 -16.847 364 H THR 51 HN THR 51 -19.749 -9.232 -13.421 365 HA THR 51 HA THR 51 -18.781 -11.462 -12.035 366 HB THR 51 HB THR 51 -20.957 -11.395 -14.177 367 HG1 THR 51 HG1 THR 51 -21.295 -11.121 -11.365 368 HG21 THR 51 HG21 THR 51 -21.938 -13.315 -12.949 369 HG22 THR 51 HG22 THR 51 -20.559 -13.330 -11.849 370 HG23 THR 51 HG23 THR 51 -20.332 -13.717 -13.557 371 H ILE 52 HN ILE 52 -17.666 -13.259 -12.638 372 HA ILE 52 HA ILE 52 -16.335 -13.261 -15.260 373 HB ILE 52 HB ILE 52 -15.771 -15.114 -12.905 374 HG12 ILE 52 HG12 ILE 52 -14.310 -12.496 -13.485 375 HG13 ILE 52 HG11 ILE 52 -15.561 -12.649 -12.257 376 HG21 ILE 52 HG21 ILE 52 -14.822 -15.863 -15.049 377 HG22 ILE 52 HG22 ILE 52 -13.536 -15.332 -13.969 378 HG23 ILE 52 HG23 ILE 52 -14.058 -14.287 -15.286 379 HD11 ILE 52 HD11 ILE 52 -13.350 -12.754 -11.297 380 HD12 ILE 52 HD12 ILE 52 -12.942 -14.144 -12.301 381 HD13 ILE 52 HD13 ILE 52 -14.197 -14.279 -11.062 382 H VAL 53 HN VAL 53 -16.739 -14.790 -16.800 383 HA VAL 53 HA VAL 53 -18.828 -16.768 -16.447 384 HB VAL 53 HB VAL 53 -16.999 -16.162 -18.819 385 HG11 VAL 53 HG11 VAL 53 -18.539 -17.554 -20.193 386 HG12 VAL 53 HG12 VAL 53 -19.384 -18.049 -18.724 387 HG13 VAL 53 HG13 VAL 53 -17.697 -18.506 -18.970 388 HG21 VAL 53 HG21 VAL 53 -19.023 -15.124 -19.821 389 HG22 VAL 53 HG22 VAL 53 -18.578 -14.341 -18.304 390 HG23 VAL 53 HG23 VAL 53 -19.929 -15.473 -18.344 391 H SER 54 HN SER 54 -15.289 -16.780 -16.999 392 HA SER 54 HA SER 54 -14.934 -19.201 -15.462 393 HB2 SER 54 HB2 SER 54 -13.838 -20.444 -17.384 394 HB3 SER 54 HB1 SER 54 -15.577 -20.224 -17.577 395 HG SER 54 HG SER 54 -13.496 -18.750 -18.809 396 H VAL 55 HN VAL 55 -12.954 -19.183 -14.526 397 HA VAL 55 HA VAL 55 -11.017 -17.100 -15.286 398 HB VAL 55 HB VAL 55 -10.989 -18.862 -12.788 399 HG11 VAL 55 HG11 VAL 55 -9.450 -17.131 -11.889 400 HG12 VAL 55 HG12 VAL 55 -9.486 -16.300 -13.444 401 HG13 VAL 55 HG13 VAL 55 -8.790 -17.917 -13.322 402 HG21 VAL 55 HG21 VAL 55 -13.035 -17.489 -12.804 403 HG22 VAL 55 HG22 VAL 55 -12.068 -16.036 -13.067 404 HG23 VAL 55 HG23 VAL 55 -11.908 -16.942 -11.564 405 H GLU 56 HN GLU 56 -9.730 -17.856 -16.848 406 HA GLU 56 HA GLU 56 -8.708 -20.602 -16.877 407 HB2 GLU 56 HB2 GLU 56 -8.528 -18.235 -18.775 408 HB3 GLU 56 HB1 GLU 56 -7.418 -19.585 -18.955 409 HG2 GLU 56 HG2 GLU 56 -9.303 -19.796 -20.485 410 HG3 GLU 56 HG1 GLU 56 -9.276 -21.122 -19.326 411 H ASP 57 HN ASP 57 -6.558 -21.163 -16.383 412 HA ASP 57 HA ASP 57 -4.969 -19.313 -14.851 413 HB2 ASP 57 HB2 ASP 57 -3.273 -21.052 -14.692 414 HB3 ASP 57 HB1 ASP 57 -4.847 -21.780 -14.420 415 H TRP 58 HN TRP 58 -3.519 -17.855 -15.624 416 HA TRP 58 HA TRP 58 -3.581 -17.331 -18.431 417 HB2 TRP 58 HB2 TRP 58 -3.597 -15.478 -16.812 418 HB3 TRP 58 HB1 TRP 58 -1.976 -15.910 -16.272 419 HD1 TRP 58 HD1 TRP 58 -3.619 -14.998 -19.706 420 HE1 TRP 58 HE1 TRP 58 -1.990 -13.479 -20.993 421 HE3 TRP 58 HE3 TRP 58 0.219 -14.840 -16.321 422 HZ2 TRP 58 HZ2 TRP 58 0.580 -12.384 -20.644 423 HZ3 TRP 58 HZ3 TRP 58 2.236 -13.531 -16.873 424 HH2 TRP 58 HH2 TRP 58 2.407 -12.324 -18.994 425 H GLU 59 HN GLU 59 -2.478 -18.620 -19.757 426 HA GLU 59 HA GLU 59 0.221 -19.505 -19.262 427 HB2 GLU 59 HB2 GLU 59 0.157 -20.301 -21.624 428 HB3 GLU 59 HB1 GLU 59 -1.185 -20.893 -20.656 429 HG2 GLU 59 HG2 GLU 59 -2.681 -19.211 -21.693 430 HG3 GLU 59 HG1 GLU 59 -1.335 -18.629 -22.677 431 H LYS 60 HN LYS 60 2.079 -18.825 -20.515 432 HA LYS 60 HA LYS 60 2.066 -15.897 -20.901 433 HB2 LYS 60 HB2 LYS 60 4.319 -17.854 -20.286 434 HB3 LYS 60 HB1 LYS 60 4.602 -16.160 -20.664 435 HG2 LYS 60 HG2 LYS 60 4.705 -16.379 -18.282 436 HG3 LYS 60 HG1 LYS 60 3.200 -15.539 -18.657 437 HD2 LYS 60 HD2 LYS 60 1.972 -17.707 -18.366 438 HD3 LYS 60 HD1 LYS 60 3.495 -18.476 -17.920 439 HE2 LYS 60 HE2 LYS 60 3.677 -17.003 -15.950 440 HE3 LYS 60 HE1 LYS 60 2.186 -16.181 -16.413 441 HZ1 LYS 60 HZ1 LYS 60 0.984 -18.245 -16.102 442 HZ2 LYS 60 HZ2 LYS 60 1.810 -17.830 -14.687 443 HZ3 LYS 60 HZ3 LYS 60 2.412 -19.051 -15.689 444 H GLY 61 HN GLY 61 2.299 -18.824 -22.694 445 HA2 GLY 61 HA2 GLY 61 2.273 -19.092 -24.988 446 HA3 GLY 61 HA1 GLY 61 2.486 -17.358 -25.182 Start of MODEL 9 1 H1 SER 1 HT1 SER 1 1.546 1.297 -8.224 2 H2 SER 1 HT2 SER 1 0.622 -0.072 -7.870 3 H3 SER 1 HT3 SER 1 2.282 -0.068 -7.557 4 HA SER 1 HA SER 1 0.296 1.694 -6.237 5 HB2 SER 1 HB2 SER 1 1.736 -0.762 -5.135 6 HB3 SER 1 HB1 SER 1 0.638 0.281 -4.225 7 HG SER 1 HG SER 1 0.090 -1.749 -5.948 8 H HIS 2 HN HIS 2 1.241 2.795 -4.302 9 HA HIS 2 HA HIS 2 3.809 3.945 -4.847 10 HB2 HIS 2 HB2 HIS 2 1.867 5.161 -3.761 11 HB3 HIS 2 HB1 HIS 2 2.141 4.215 -2.307 12 HD2 HIS 2 HD2 HIS 2 4.691 4.789 -1.006 13 HE1 HIS 2 HE1 HIS 2 4.967 8.596 -2.826 14 HE2 HIS 2 HE2 HIS 2 5.992 7.027 -1.128 15 H MET 3 HN MET 3 5.182 2.160 -4.861 16 HA MET 3 HA MET 3 6.427 1.523 -2.359 17 HB2 MET 3 HB2 MET 3 6.301 -0.982 -2.652 18 HB3 MET 3 HB1 MET 3 4.777 -0.236 -2.214 19 HG2 MET 3 HG2 MET 3 3.975 -0.455 -4.517 20 HG3 MET 3 HG1 MET 3 5.531 -1.119 -5.013 21 HE1 MET 3 HE1 MET 3 2.232 -1.806 -2.902 22 HE2 MET 3 HE2 MET 3 3.493 -1.913 -1.672 23 HE3 MET 3 HE3 MET 3 2.626 -3.363 -2.174 24 HA PRO 4 HA PRO 4 9.617 1.881 -5.658 25 HB2 PRO 4 HB2 PRO 4 11.387 2.025 -3.242 26 HB3 PRO 4 HB1 PRO 4 11.308 3.113 -4.635 27 HG2 PRO 4 HG2 PRO 4 10.313 3.880 -2.268 28 HG3 PRO 4 HG1 PRO 4 9.469 4.289 -3.778 29 HD2 PRO 4 HD2 PRO 4 8.850 2.082 -1.805 30 HD3 PRO 4 HD1 PRO 4 7.737 3.217 -2.603 31 H THR 5 HN THR 5 9.556 -0.171 -6.457 32 HA THR 5 HA THR 5 11.600 -2.001 -5.651 33 HB THR 5 HB THR 5 9.994 -2.830 -4.040 34 HG1 THR 5 HG1 THR 5 9.817 -4.670 -6.200 35 HG21 THR 5 HG21 THR 5 7.889 -1.961 -4.997 36 HG22 THR 5 HG22 THR 5 7.762 -3.688 -4.662 37 HG23 THR 5 HG23 THR 5 7.997 -3.132 -6.318 38 H SER 6 HN SER 6 8.842 -1.210 -7.705 39 HA SER 6 HA SER 6 8.492 -1.275 -9.917 40 HB2 SER 6 HB2 SER 6 11.432 -2.032 -10.169 41 HB3 SER 6 HB1 SER 6 10.394 -1.507 -11.495 42 HG SER 6 HG SER 6 10.093 0.406 -9.848 43 H GLU 7 HN GLU 7 6.988 -2.886 -9.936 44 HA GLU 7 HA GLU 7 7.691 -5.693 -10.014 45 HB2 GLU 7 HB2 GLU 7 5.365 -6.145 -9.927 46 HB3 GLU 7 HB1 GLU 7 5.585 -4.746 -8.897 47 HG2 GLU 7 HG2 GLU 7 4.610 -4.522 -11.764 48 HG3 GLU 7 HG1 GLU 7 3.523 -4.809 -10.409 49 H GLU 8 HN GLU 8 7.330 -7.103 -11.766 50 HA GLU 8 HA GLU 8 7.138 -5.916 -14.469 51 HB2 GLU 8 HB2 GLU 8 7.906 -8.154 -15.317 52 HB3 GLU 8 HB1 GLU 8 9.084 -7.371 -14.279 53 HG2 GLU 8 HG2 GLU 8 7.213 -9.448 -13.130 54 HG3 GLU 8 HG1 GLU 8 8.618 -9.953 -14.055 55 H ASP 9 HN ASP 9 4.867 -5.564 -13.448 56 HA ASP 9 HA ASP 9 2.657 -5.915 -13.311 57 HB2 ASP 9 HB2 ASP 9 2.892 -6.108 -15.779 58 HB3 ASP 9 HB1 ASP 9 3.124 -7.845 -15.624 59 H LEU 10 HN LEU 10 3.705 -6.982 -11.298 60 HA LEU 10 HA LEU 10 3.048 -9.777 -10.875 61 HB2 LEU 10 HB2 LEU 10 3.825 -7.590 -8.901 62 HB3 LEU 10 HB1 LEU 10 3.686 -9.301 -8.513 63 HG LEU 10 HG LEU 10 5.666 -8.181 -10.549 64 HD11 LEU 10 HD11 LEU 10 7.433 -8.514 -8.912 65 HD12 LEU 10 HD12 LEU 10 6.257 -9.040 -7.708 66 HD13 LEU 10 HD13 LEU 10 6.233 -7.377 -8.293 67 HD21 LEU 10 HD21 LEU 10 5.492 -10.958 -9.316 68 HD22 LEU 10 HD22 LEU 10 6.741 -10.392 -10.428 69 HD23 LEU 10 HD23 LEU 10 5.075 -10.533 -10.981 70 H CYS 11 HN CYS 11 1.509 -10.394 -9.094 71 HA CYS 11 HA CYS 11 -1.098 -9.634 -9.717 72 HB2 CYS 11 HB2 CYS 11 -0.509 -11.778 -8.650 73 HB3 CYS 11 HB1 CYS 11 -0.060 -10.934 -7.169 74 HA PRO 12 HA PRO 12 -1.210 -5.525 -7.827 75 HB2 PRO 12 HB2 PRO 12 -4.201 -5.817 -7.944 76 HB3 PRO 12 HB1 PRO 12 -3.168 -4.562 -8.642 77 HG2 PRO 12 HG2 PRO 12 -4.285 -6.434 -10.204 78 HG3 PRO 12 HG1 PRO 12 -2.636 -5.850 -10.516 79 HD2 PRO 12 HD2 PRO 12 -3.523 -8.419 -9.212 80 HD3 PRO 12 HD1 PRO 12 -2.207 -8.143 -10.374 81 H ILE 13 HN ILE 13 -3.086 -8.153 -6.557 82 HA ILE 13 HA ILE 13 -3.755 -7.001 -4.017 83 HB ILE 13 HB ILE 13 -3.876 -9.884 -5.026 84 HG12 ILE 13 HG12 ILE 13 -6.450 -9.420 -4.872 85 HG13 ILE 13 HG11 ILE 13 -6.023 -7.717 -4.788 86 HG21 ILE 13 HG21 ILE 13 -4.952 -8.768 -2.411 87 HG22 ILE 13 HG22 ILE 13 -3.633 -9.923 -2.602 88 HG23 ILE 13 HG23 ILE 13 -5.276 -10.390 -3.035 89 HD11 ILE 13 HD11 ILE 13 -5.423 -9.598 -7.067 90 HD12 ILE 13 HD12 ILE 13 -4.985 -7.887 -7.005 91 HD13 ILE 13 HD13 ILE 13 -6.683 -8.366 -7.019 92 H CYS 14 HN CYS 14 -1.266 -9.248 -5.244 93 HA CYS 14 HA CYS 14 -0.370 -9.899 -2.528 94 HB2 CYS 14 HB2 CYS 14 0.200 -11.208 -5.205 95 HB3 CYS 14 HB1 CYS 14 0.873 -11.754 -3.675 96 H TYR 15 HN TYR 15 1.095 -9.143 -5.694 97 HA TYR 15 HA TYR 15 2.966 -8.195 -6.409 98 HB2 TYR 15 HB2 TYR 15 2.932 -6.982 -3.668 99 HB3 TYR 15 HB1 TYR 15 4.433 -6.881 -4.576 100 HD1 TYR 15 HD1 TYR 15 0.802 -5.922 -4.679 101 HD2 TYR 15 HD2 TYR 15 4.695 -5.339 -6.354 102 HE1 TYR 15 HE1 TYR 15 -0.023 -3.965 -5.930 103 HE2 TYR 15 HE2 TYR 15 3.871 -3.395 -7.591 104 HH TYR 15 HH TYR 15 1.769 -2.514 -8.446 105 H ALA 16 HN ALA 16 3.412 -10.112 -3.426 106 HA ALA 16 HA ALA 16 6.177 -10.672 -3.925 107 HB1 ALA 16 HB1 ALA 16 5.187 -10.799 -1.653 108 HB2 ALA 16 HB2 ALA 16 6.019 -12.291 -2.103 109 HB3 ALA 16 HB3 ALA 16 4.259 -12.211 -2.157 110 H HIS 17 HN HIS 17 3.397 -11.808 -5.479 111 HA HIS 17 HA HIS 17 4.945 -13.854 -6.910 112 HB2 HIS 17 HB2 HIS 17 2.127 -14.310 -5.824 113 HB3 HIS 17 HB1 HIS 17 2.979 -15.415 -6.890 114 HD1 HIS 17 HD1 HIS 17 2.622 -14.442 -3.326 115 HD2 HIS 17 HD2 HIS 17 5.138 -16.837 -5.604 116 HE1 HIS 17 HE1 HIS 17 3.846 -15.884 -1.687 117 HE2 HIS 17 HE2 HIS 17 5.254 -17.411 -3.092 118 HA PRO 18 HA PRO 18 3.115 -11.715 -10.400 119 HB2 PRO 18 HB2 PRO 18 3.452 -13.474 -12.416 120 HB3 PRO 18 HB1 PRO 18 4.849 -12.823 -11.542 121 HG2 PRO 18 HG2 PRO 18 3.445 -15.473 -11.153 122 HG3 PRO 18 HG1 PRO 18 5.187 -15.150 -11.314 123 HD2 PRO 18 HD2 PRO 18 3.953 -15.462 -8.883 124 HD3 PRO 18 HD1 PRO 18 5.388 -14.441 -9.108 125 H ILE 19 HN ILE 19 1.765 -12.677 -12.576 126 HA ILE 19 HA ILE 19 -0.900 -13.386 -11.543 127 HB ILE 19 HB ILE 19 0.048 -12.166 -14.172 128 HG12 ILE 19 HG12 ILE 19 -1.660 -11.048 -11.890 129 HG13 ILE 19 HG11 ILE 19 -0.010 -10.578 -12.274 130 HG21 ILE 19 HG21 ILE 19 -2.820 -12.909 -13.470 131 HG22 ILE 19 HG22 ILE 19 -1.823 -13.685 -14.700 132 HG23 ILE 19 HG23 ILE 19 -2.308 -12.004 -14.896 133 HD11 ILE 19 HD11 ILE 19 -1.547 -8.878 -12.981 134 HD12 ILE 19 HD12 ILE 19 -2.477 -10.039 -13.923 135 HD13 ILE 19 HD13 ILE 19 -0.833 -9.624 -14.408 136 H SER 20 HN SER 20 -1.857 -15.280 -12.036 137 HA SER 20 HA SER 20 -0.770 -17.104 -14.087 138 HB2 SER 20 HB2 SER 20 -1.387 -17.895 -11.194 139 HB3 SER 20 HB1 SER 20 -0.906 -19.004 -12.482 140 HG SER 20 HG SER 20 1.077 -17.851 -12.612 141 H ALA 21 HN ALA 21 -3.261 -15.332 -13.608 142 HA ALA 21 HA ALA 21 -5.264 -17.236 -14.505 143 HB1 ALA 21 HB1 ALA 21 -5.469 -17.438 -12.066 144 HB2 ALA 21 HB2 ALA 21 -6.904 -16.667 -12.738 145 HB3 ALA 21 HB3 ALA 21 -5.682 -15.695 -11.915 146 H VAL 22 HN VAL 22 -6.788 -16.294 -15.792 147 HA VAL 22 HA VAL 22 -7.001 -13.342 -15.853 148 HB VAL 22 HB VAL 22 -5.862 -14.037 -17.913 149 HG11 VAL 22 HG11 VAL 22 -6.593 -16.392 -18.052 150 HG12 VAL 22 HG12 VAL 22 -6.904 -15.552 -19.573 151 HG13 VAL 22 HG13 VAL 22 -8.232 -15.873 -18.458 152 HG21 VAL 22 HG21 VAL 22 -7.459 -12.155 -18.066 153 HG22 VAL 22 HG22 VAL 22 -8.762 -13.271 -18.472 154 HG23 VAL 22 HG23 VAL 22 -7.413 -13.053 -19.586 155 H PHE 23 HN PHE 23 -8.979 -12.553 -15.686 156 HA PHE 23 HA PHE 23 -11.231 -14.315 -15.120 157 HB2 PHE 23 HB2 PHE 23 -11.188 -11.264 -14.983 158 HB3 PHE 23 HB1 PHE 23 -12.319 -12.356 -14.188 159 HD1 PHE 23 HD1 PHE 23 -10.225 -14.356 -13.121 160 HD2 PHE 23 HD2 PHE 23 -10.404 -10.081 -13.057 161 HE1 PHE 23 HE1 PHE 23 -8.824 -14.314 -11.110 162 HE2 PHE 23 HE2 PHE 23 -9.006 -10.060 -11.043 163 HZ PHE 23 HZ PHE 23 -8.212 -12.177 -10.072 164 H GLN 24 HN GLN 24 -11.877 -15.107 -17.058 165 HA GLN 24 HA GLN 24 -11.993 -13.490 -19.459 166 HB2 GLN 24 HB2 GLN 24 -11.304 -16.065 -19.078 167 HB3 GLN 24 HB1 GLN 24 -13.012 -16.329 -19.360 168 HG2 GLN 24 HG2 GLN 24 -11.938 -16.652 -21.442 169 HG3 GLN 24 HG1 GLN 24 -12.730 -15.084 -21.557 170 HE21 GLN 24 HE21 GLN 24 -10.411 -16.234 -23.008 171 HE22 GLN 24 HE22 GLN 24 -9.111 -15.122 -22.791 172 HA PRO 25 HA PRO 25 -12.882 -13.095 -21.239 173 HB2 PRO 25 HB2 PRO 25 -14.588 -12.014 -22.966 174 HB3 PRO 25 HB1 PRO 25 -14.706 -13.740 -22.591 175 HG2 PRO 25 HG2 PRO 25 -16.422 -11.472 -21.620 176 HG3 PRO 25 HG1 PRO 25 -16.892 -13.127 -22.052 177 HD2 PRO 25 HD2 PRO 25 -16.332 -12.134 -19.422 178 HD3 PRO 25 HD1 PRO 25 -16.602 -13.828 -19.881 179 H CYS 26 HN CYS 26 -13.581 -11.373 -18.753 180 HA CYS 26 HA CYS 26 -13.993 -8.692 -19.520 181 HB2 CYS 26 HB2 CYS 26 -14.441 -9.356 -17.219 182 HB3 CYS 26 HB1 CYS 26 -12.750 -9.788 -16.965 183 H GLY 27 HN GLY 27 -10.954 -10.321 -18.516 184 HA2 GLY 27 HA2 GLY 27 -8.947 -9.941 -19.855 185 HA3 GLY 27 HA1 GLY 27 -9.404 -8.251 -19.989 186 H HIS 28 HN HIS 28 -10.189 -8.175 -17.060 187 HA HIS 28 HA HIS 28 -7.771 -7.457 -15.823 188 HB2 HIS 28 HB2 HIS 28 -10.452 -8.263 -14.629 189 HB3 HIS 28 HB1 HIS 28 -9.082 -7.889 -13.591 190 HD2 HIS 28 HD2 HIS 28 -8.010 -5.179 -15.021 191 HE1 HIS 28 HE1 HIS 28 -11.940 -3.822 -14.284 192 HE2 HIS 28 HE2 HIS 28 -9.570 -3.127 -14.822 193 H LYS 29 HN LYS 29 -6.364 -8.562 -14.432 194 HA LYS 29 HA LYS 29 -6.574 -11.508 -14.346 195 HB2 LYS 29 HB2 LYS 29 -4.085 -9.945 -15.148 196 HB3 LYS 29 HB1 LYS 29 -4.198 -11.694 -14.993 197 HG2 LYS 29 HG2 LYS 29 -5.805 -11.749 -16.866 198 HG3 LYS 29 HG1 LYS 29 -5.665 -9.995 -17.028 199 HD2 LYS 29 HD2 LYS 29 -3.178 -10.340 -17.423 200 HD3 LYS 29 HD1 LYS 29 -3.500 -12.075 -17.504 201 HE2 LYS 29 HE2 LYS 29 -3.405 -11.111 -19.751 202 HE3 LYS 29 HE1 LYS 29 -5.034 -11.690 -19.400 203 HZ1 LYS 29 HZ1 LYS 29 -5.736 -9.451 -18.976 204 HZ2 LYS 29 HZ2 LYS 29 -4.982 -9.499 -20.488 205 HZ3 LYS 29 HZ3 LYS 29 -4.165 -8.865 -19.155 206 H SER 30 HN SER 30 -4.995 -12.459 -12.880 207 HA SER 30 HA SER 30 -3.613 -11.104 -10.821 208 HB2 SER 30 HB2 SER 30 -5.920 -10.581 -10.011 209 HB3 SER 30 HB1 SER 30 -6.319 -12.294 -10.027 210 HG SER 30 HG SER 30 -5.779 -11.598 -7.950 211 H CYS 31 HN CYS 31 -3.185 -12.925 -8.973 212 HA CYS 31 HA CYS 31 -2.407 -15.371 -10.332 213 HB2 CYS 31 HB2 CYS 31 -1.344 -16.006 -8.306 214 HB3 CYS 31 HB1 CYS 31 -1.097 -14.267 -8.419 215 H LYS 32 HN LYS 32 -3.249 -17.506 -9.775 216 HA LYS 32 HA LYS 32 -6.057 -17.607 -9.819 217 HB2 LYS 32 HB2 LYS 32 -4.731 -19.357 -10.865 218 HB3 LYS 32 HB1 LYS 32 -4.037 -19.822 -9.311 219 HG2 LYS 32 HG2 LYS 32 -6.301 -20.514 -8.523 220 HG3 LYS 32 HG1 LYS 32 -6.967 -20.075 -10.097 221 HD2 LYS 32 HD2 LYS 32 -4.897 -22.246 -9.595 222 HD3 LYS 32 HD1 LYS 32 -6.621 -22.514 -9.872 223 HE2 LYS 32 HE2 LYS 32 -6.382 -21.466 -12.110 224 HE3 LYS 32 HE1 LYS 32 -4.645 -21.322 -11.831 225 HZ1 LYS 32 HZ1 LYS 32 -5.215 -23.268 -13.143 226 HZ2 LYS 32 HZ2 LYS 32 -6.175 -23.860 -11.885 227 HZ3 LYS 32 HZ3 LYS 32 -4.507 -23.715 -11.673 228 H ALA 33 HN ALA 33 -3.758 -18.049 -7.177 229 HA ALA 33 HA ALA 33 -5.447 -19.262 -5.323 230 HB1 ALA 33 HB1 ALA 33 -3.819 -18.564 -3.616 231 HB2 ALA 33 HB2 ALA 33 -3.085 -17.442 -4.763 232 HB3 ALA 33 HB3 ALA 33 -3.011 -19.180 -5.061 233 H CYS 34 HN CYS 34 -5.039 -15.837 -6.121 234 HA CYS 34 HA CYS 34 -6.576 -14.633 -4.088 235 HB2 CYS 34 HB2 CYS 34 -5.791 -13.782 -6.865 236 HB3 CYS 34 HB1 CYS 34 -7.093 -12.901 -6.085 237 H ILE 35 HN ILE 35 -7.586 -15.639 -7.398 238 HA ILE 35 HA ILE 35 -10.288 -14.830 -6.943 239 HB ILE 35 HB ILE 35 -9.414 -14.701 -9.192 240 HG12 ILE 35 HG12 ILE 35 -11.253 -15.773 -10.481 241 HG13 ILE 35 HG11 ILE 35 -11.646 -16.797 -9.103 242 HG21 ILE 35 HG21 ILE 35 -9.127 -17.716 -9.174 243 HG22 ILE 35 HG22 ILE 35 -7.820 -16.527 -9.181 244 HG23 ILE 35 HG23 ILE 35 -8.894 -16.669 -10.574 245 HD11 ILE 35 HD11 ILE 35 -11.868 -13.786 -9.185 246 HD12 ILE 35 HD12 ILE 35 -12.305 -14.823 -7.822 247 HD13 ILE 35 HD13 ILE 35 -13.195 -14.934 -9.340 248 H ASN 36 HN ASN 36 -8.584 -17.883 -6.587 249 HA ASN 36 HA ASN 36 -10.816 -19.600 -6.337 250 HB2 ASN 36 HB2 ASN 36 -8.459 -20.393 -6.625 251 HB3 ASN 36 HB1 ASN 36 -8.092 -19.863 -4.986 252 HD21 ASN 36 HD21 ASN 36 -7.568 -21.946 -4.267 253 HD22 ASN 36 HD22 ASN 36 -8.737 -23.206 -4.082 254 H GLN 37 HN GLN 37 -8.928 -17.769 -3.945 255 HA GLN 37 HA GLN 37 -10.467 -18.355 -1.628 256 HB2 GLN 37 HB2 GLN 37 -8.161 -17.437 -1.550 257 HB3 GLN 37 HB1 GLN 37 -8.724 -15.941 -2.285 258 HG2 GLN 37 HG2 GLN 37 -10.103 -15.489 -0.267 259 HG3 GLN 37 HG1 GLN 37 -9.498 -16.974 0.462 260 HE21 GLN 37 HE21 GLN 37 -7.320 -17.058 1.154 261 HE22 GLN 37 HE22 GLN 37 -6.390 -15.622 1.395 262 H HIS 38 HN HIS 38 -10.765 -15.979 -4.194 263 HA HIS 38 HA HIS 38 -12.681 -14.264 -2.943 264 HB2 HIS 38 HB2 HIS 38 -11.187 -13.481 -4.769 265 HB3 HIS 38 HB1 HIS 38 -12.005 -14.544 -5.903 266 HD2 HIS 38 HD2 HIS 38 -14.339 -13.536 -6.991 267 HE1 HIS 38 HE1 HIS 38 -14.359 -9.937 -4.773 268 HE2 HIS 38 HE2 HIS 38 -15.262 -11.127 -6.812 269 H LEU 39 HN LEU 39 -12.871 -17.168 -4.969 270 HA LEU 39 HA LEU 39 -15.626 -17.013 -5.667 271 HB2 LEU 39 HB2 LEU 39 -13.739 -19.386 -5.542 272 HB3 LEU 39 HB1 LEU 39 -15.388 -19.506 -6.137 273 HG LEU 39 HG LEU 39 -13.187 -17.811 -7.393 274 HD11 LEU 39 HD11 LEU 39 -13.230 -19.414 -9.248 275 HD12 LEU 39 HD12 LEU 39 -14.409 -20.399 -8.379 276 HD13 LEU 39 HD13 LEU 39 -12.780 -20.196 -7.733 277 HD21 LEU 39 HD21 LEU 39 -16.027 -18.289 -8.362 278 HD22 LEU 39 HD22 LEU 39 -14.765 -17.436 -9.253 279 HD23 LEU 39 HD23 LEU 39 -15.377 -16.768 -7.744 280 H MET 40 HN MET 40 -14.141 -17.694 -2.681 281 HA MET 40 HA MET 40 -16.347 -19.097 -1.462 282 HB2 MET 40 HB2 MET 40 -14.116 -17.447 -0.204 283 HB3 MET 40 HB1 MET 40 -15.229 -18.479 0.687 284 HG2 MET 40 HG2 MET 40 -14.327 -20.458 -0.481 285 HG3 MET 40 HG1 MET 40 -13.219 -19.427 -1.383 286 HE1 MET 40 HE1 MET 40 -12.955 -19.984 3.200 287 HE2 MET 40 HE2 MET 40 -14.197 -20.756 2.211 288 HE3 MET 40 HE3 MET 40 -14.194 -19.004 2.420 289 H ASN 41 HN ASN 41 -15.295 -15.727 -1.758 290 HA ASN 41 HA ASN 41 -17.436 -14.555 -0.223 291 HB2 ASN 41 HB2 ASN 41 -15.534 -13.197 -2.196 292 HB3 ASN 41 HB1 ASN 41 -16.525 -12.389 -0.985 293 HD21 ASN 41 HD21 ASN 41 -13.685 -14.330 -1.529 294 HD22 ASN 41 HD22 ASN 41 -12.966 -14.069 0.014 295 H ASN 42 HN ASN 42 -16.544 -14.063 -3.651 296 HA ASN 42 HA ASN 42 -19.313 -14.273 -4.605 297 HB2 ASN 42 HB2 ASN 42 -17.535 -11.805 -5.022 298 HB3 ASN 42 HB1 ASN 42 -19.037 -12.101 -5.895 299 HD21 ASN 42 HD21 ASN 42 -17.642 -11.215 -2.807 300 HD22 ASN 42 HD22 ASN 42 -19.105 -10.638 -2.095 301 H LYS 43 HN LYS 43 -19.320 -14.249 -7.061 302 HA LYS 43 HA LYS 43 -16.916 -15.548 -8.187 303 HB2 LYS 43 HB2 LYS 43 -19.219 -16.624 -8.330 304 HB3 LYS 43 HB1 LYS 43 -19.703 -15.320 -9.408 305 HG2 LYS 43 HG2 LYS 43 -17.945 -16.035 -11.024 306 HG3 LYS 43 HG1 LYS 43 -17.497 -17.344 -9.928 307 HD2 LYS 43 HD2 LYS 43 -19.730 -18.347 -10.186 308 HD3 LYS 43 HD1 LYS 43 -20.213 -17.025 -11.254 309 HE2 LYS 43 HE2 LYS 43 -18.501 -17.707 -12.886 310 HE3 LYS 43 HE1 LYS 43 -17.969 -18.997 -11.807 311 HZ1 LYS 43 HZ1 LYS 43 -20.116 -20.024 -12.017 312 HZ2 LYS 43 HZ2 LYS 43 -19.419 -19.806 -13.542 313 HZ3 LYS 43 HZ3 LYS 43 -20.658 -18.779 -13.025 314 H ASP 44 HN ASP 44 -17.239 -12.600 -7.679 315 HA ASP 44 HA ASP 44 -17.511 -11.409 -10.334 316 HB2 ASP 44 HB2 ASP 44 -17.238 -10.142 -7.588 317 HB3 ASP 44 HB1 ASP 44 -17.442 -9.234 -9.083 318 H CYS 45 HN CYS 45 -16.030 -9.548 -10.842 319 HA CYS 45 HA CYS 45 -13.313 -10.670 -10.956 320 HB2 CYS 45 HB2 CYS 45 -14.464 -10.343 -13.072 321 HB3 CYS 45 HB1 CYS 45 -14.810 -8.668 -12.680 322 H PHE 46 HN PHE 46 -13.644 -9.640 -8.567 323 HA PHE 46 HA PHE 46 -12.842 -8.285 -6.975 324 HB2 PHE 46 HB2 PHE 46 -10.621 -8.135 -9.030 325 HB3 PHE 46 HB1 PHE 46 -10.468 -7.341 -7.470 326 HD1 PHE 46 HD2 PHE 46 -10.950 -10.671 -9.089 327 HD2 PHE 46 HD1 PHE 46 -9.828 -8.580 -5.524 328 HE1 PHE 46 HE2 PHE 46 -10.136 -12.767 -8.100 329 HE2 PHE 46 HE1 PHE 46 -9.023 -10.692 -4.550 330 HZ PHE 46 HZ PHE 46 -9.175 -12.780 -5.837 331 H PHE 47 HN PHE 47 -11.612 -6.308 -9.641 332 HA PHE 47 HA PHE 47 -12.096 -3.884 -8.186 333 HB2 PHE 47 HB2 PHE 47 -11.068 -4.213 -11.043 334 HB3 PHE 47 HB1 PHE 47 -10.824 -2.826 -9.982 335 HD1 PHE 47 HD1 PHE 47 -9.504 -3.254 -7.772 336 HD2 PHE 47 HD2 PHE 47 -9.414 -5.945 -11.101 337 HE1 PHE 47 HE1 PHE 47 -7.428 -4.256 -6.910 338 HE2 PHE 47 HE2 PHE 47 -7.328 -6.937 -10.230 339 HZ PHE 47 HZ PHE 47 -6.338 -6.094 -8.136 340 H CYS 48 HN CYS 48 -13.026 -4.857 -11.533 341 HA CYS 48 HA CYS 48 -15.076 -2.836 -11.711 342 HB2 CYS 48 HB2 CYS 48 -15.412 -3.594 -13.957 343 HB3 CYS 48 HB1 CYS 48 -13.685 -3.775 -13.658 344 H LYS 49 HN LYS 49 -14.977 -6.050 -10.528 345 HA LYS 49 HA LYS 49 -16.418 -7.438 -9.521 346 HB2 LYS 49 HB2 LYS 49 -18.425 -5.152 -9.563 347 HB3 LYS 49 HB1 LYS 49 -18.510 -6.583 -8.543 348 HG2 LYS 49 HG2 LYS 49 -16.396 -5.840 -7.423 349 HG3 LYS 49 HG1 LYS 49 -16.459 -4.351 -8.373 350 HD2 LYS 49 HD2 LYS 49 -18.783 -3.964 -7.380 351 HD3 LYS 49 HD1 LYS 49 -18.454 -5.307 -6.282 352 HE2 LYS 49 HE2 LYS 49 -17.970 -3.234 -5.135 353 HE3 LYS 49 HE1 LYS 49 -16.442 -4.053 -5.465 354 HZ1 LYS 49 HZ1 LYS 49 -17.597 -1.843 -7.078 355 HZ2 LYS 49 HZ2 LYS 49 -16.108 -2.597 -7.364 356 HZ3 LYS 49 HZ3 LYS 49 -16.340 -1.687 -5.957 357 H THR 50 HN THR 50 -16.510 -7.151 -12.562 358 HA THR 50 HA THR 50 -19.096 -7.954 -13.430 359 HB THR 50 HB THR 50 -16.393 -8.583 -14.702 360 HG1 THR 50 HG1 THR 50 -18.143 -6.355 -15.026 361 HG21 THR 50 HG21 THR 50 -19.168 -8.471 -15.974 362 HG22 THR 50 HG22 THR 50 -18.228 -9.938 -15.687 363 HG23 THR 50 HG23 THR 50 -17.649 -8.730 -16.834 364 H THR 51 HN THR 51 -20.098 -9.912 -13.196 365 HA THR 51 HA THR 51 -19.021 -12.092 -11.770 366 HB THR 51 HB THR 51 -21.388 -12.192 -13.700 367 HG1 THR 51 HG1 THR 51 -21.131 -11.129 -11.092 368 HG21 THR 51 HG21 THR 51 -20.788 -13.835 -11.198 369 HG22 THR 51 HG22 THR 51 -20.663 -14.421 -12.858 370 HG23 THR 51 HG23 THR 51 -22.235 -13.968 -12.202 371 H ILE 52 HN ILE 52 -17.436 -13.366 -12.462 372 HA ILE 52 HA ILE 52 -16.413 -13.333 -15.131 373 HB ILE 52 HB ILE 52 -15.619 -15.187 -12.840 374 HG12 ILE 52 HG12 ILE 52 -14.444 -12.441 -13.495 375 HG13 ILE 52 HG11 ILE 52 -15.563 -12.744 -12.170 376 HG21 ILE 52 HG21 ILE 52 -14.056 -14.269 -15.294 377 HG22 ILE 52 HG22 ILE 52 -14.694 -15.891 -15.013 378 HG23 ILE 52 HG23 ILE 52 -13.409 -15.260 -13.985 379 HD11 ILE 52 HD11 ILE 52 -12.807 -13.922 -12.468 380 HD12 ILE 52 HD12 ILE 52 -13.927 -14.231 -11.136 381 HD13 ILE 52 HD13 ILE 52 -13.285 -12.609 -11.395 382 H VAL 53 HN VAL 53 -16.641 -14.819 -16.752 383 HA VAL 53 HA VAL 53 -18.641 -16.903 -16.540 384 HB VAL 53 HB VAL 53 -16.773 -16.232 -18.863 385 HG11 VAL 53 HG11 VAL 53 -18.382 -17.466 -20.284 386 HG12 VAL 53 HG12 VAL 53 -19.329 -17.895 -18.857 387 HG13 VAL 53 HG13 VAL 53 -17.689 -18.519 -19.051 388 HG21 VAL 53 HG21 VAL 53 -18.695 -15.000 -19.822 389 HG22 VAL 53 HG22 VAL 53 -18.194 -14.309 -18.280 390 HG23 VAL 53 HG23 VAL 53 -19.636 -15.321 -18.363 391 H SER 54 HN SER 54 -15.117 -16.784 -17.199 392 HA SER 54 HA SER 54 -14.693 -19.370 -15.899 393 HB2 SER 54 HB2 SER 54 -13.897 -18.887 -18.814 394 HB3 SER 54 HB1 SER 54 -13.468 -20.307 -17.857 395 HG SER 54 HG SER 54 -15.778 -19.708 -19.171 396 H VAL 55 HN VAL 55 -12.476 -19.657 -15.280 397 HA VAL 55 HA VAL 55 -10.702 -17.294 -15.602 398 HB VAL 55 HB VAL 55 -10.800 -19.142 -13.166 399 HG11 VAL 55 HG11 VAL 55 -9.282 -17.476 -12.113 400 HG12 VAL 55 HG12 VAL 55 -9.234 -16.581 -13.632 401 HG13 VAL 55 HG13 VAL 55 -8.562 -18.207 -13.549 402 HG21 VAL 55 HG21 VAL 55 -11.836 -16.294 -13.405 403 HG22 VAL 55 HG22 VAL 55 -11.767 -17.238 -11.916 404 HG23 VAL 55 HG23 VAL 55 -12.830 -17.742 -13.232 405 H GLU 56 HN GLU 56 -9.121 -17.903 -17.007 406 HA GLU 56 HA GLU 56 -8.184 -20.699 -17.111 407 HB2 GLU 56 HB2 GLU 56 -7.752 -18.330 -18.969 408 HB3 GLU 56 HB1 GLU 56 -6.770 -19.778 -19.111 409 HG2 GLU 56 HG2 GLU 56 -8.486 -19.931 -20.742 410 HG3 GLU 56 HG1 GLU 56 -8.881 -21.095 -19.475 411 H ASP 57 HN ASP 57 -6.009 -21.277 -16.928 412 HA ASP 57 HA ASP 57 -4.268 -19.829 -15.202 413 HB2 ASP 57 HB2 ASP 57 -3.730 -22.145 -17.126 414 HB3 ASP 57 HB1 ASP 57 -2.517 -21.497 -16.024 415 H TRP 58 HN TRP 58 -3.881 -17.741 -16.018 416 HA TRP 58 HA TRP 58 -3.009 -17.313 -18.735 417 HB2 TRP 58 HB2 TRP 58 -4.219 -15.520 -17.416 418 HB3 TRP 58 HB1 TRP 58 -2.770 -15.329 -16.426 419 HD1 TRP 58 HD1 TRP 58 -3.907 -14.923 -20.122 420 HE1 TRP 58 HE1 TRP 58 -2.374 -13.210 -21.269 421 HE3 TRP 58 HE3 TRP 58 -0.549 -14.139 -16.324 422 HZ2 TRP 58 HZ2 TRP 58 -0.068 -11.718 -20.654 423 HZ3 TRP 58 HZ3 TRP 58 1.302 -12.559 -16.696 424 HH2 TRP 58 HH2 TRP 58 1.536 -11.376 -18.824 425 H GLU 59 HN GLU 59 -1.300 -18.610 -19.033 426 HA GLU 59 HA GLU 59 1.148 -18.305 -17.450 427 HB2 GLU 59 HB2 GLU 59 0.414 -20.208 -19.724 428 HB3 GLU 59 HB1 GLU 59 1.954 -20.216 -18.864 429 HG2 GLU 59 HG2 GLU 59 0.876 -20.832 -16.784 430 HG3 GLU 59 HG1 GLU 59 -0.724 -20.644 -17.499 431 H LYS 60 HN LYS 60 2.363 -16.642 -18.009 432 HA LYS 60 HA LYS 60 2.451 -15.401 -20.618 433 HB2 LYS 60 HB2 LYS 60 4.117 -13.898 -19.571 434 HB3 LYS 60 HB1 LYS 60 2.697 -14.074 -18.548 435 HG2 LYS 60 HG2 LYS 60 3.941 -15.724 -17.150 436 HG3 LYS 60 HG1 LYS 60 5.374 -15.449 -18.145 437 HD2 LYS 60 HD2 LYS 60 5.338 -13.050 -17.474 438 HD3 LYS 60 HD1 LYS 60 3.951 -13.379 -16.432 439 HE2 LYS 60 HE2 LYS 60 5.333 -14.939 -15.102 440 HE3 LYS 60 HE1 LYS 60 6.715 -14.608 -16.148 441 HZ1 LYS 60 HZ1 LYS 60 5.330 -12.697 -14.367 442 HZ2 LYS 60 HZ2 LYS 60 6.537 -12.267 -15.466 443 HZ3 LYS 60 HZ3 LYS 60 6.896 -13.309 -14.191 444 H GLY 61 HN GLY 61 4.068 -17.983 -19.061 445 HA2 GLY 61 HA2 GLY 61 5.376 -19.590 -20.191 446 HA3 GLY 61 HA1 GLY 61 5.951 -18.345 -21.299 Start of MODEL 10 1 H1 SER 1 HT1 SER 1 17.659 -7.434 -1.754 2 H2 SER 1 HT2 SER 1 17.510 -6.814 -0.190 3 H3 SER 1 HT3 SER 1 18.980 -7.464 -0.699 4 HA SER 1 HA SER 1 19.072 -5.083 -0.654 5 HB2 SER 1 HB2 SER 1 20.431 -6.311 -2.328 6 HB3 SER 1 HB1 SER 1 19.098 -6.247 -3.476 7 HG SER 1 HG SER 1 19.727 -3.763 -2.565 8 H HIS 2 HN HIS 2 17.193 -5.690 -3.658 9 HA HIS 2 HA HIS 2 14.841 -4.300 -2.839 10 HB2 HIS 2 HB2 HIS 2 16.407 -2.336 -3.068 11 HB3 HIS 2 HB1 HIS 2 16.683 -2.768 -4.751 12 HD2 HIS 2 HD2 HIS 2 14.832 -1.734 -6.520 13 HE1 HIS 2 HE1 HIS 2 12.147 -0.276 -3.593 14 HE2 HIS 2 HE2 HIS 2 12.550 -0.596 -6.070 15 H MET 3 HN MET 3 13.807 -6.052 -3.715 16 HA MET 3 HA MET 3 12.716 -7.351 -5.186 17 HB2 MET 3 HB2 MET 3 13.238 -5.026 -7.083 18 HB3 MET 3 HB1 MET 3 12.176 -6.376 -7.467 19 HG2 MET 3 HG2 MET 3 10.780 -5.773 -5.480 20 HG3 MET 3 HG1 MET 3 11.796 -4.344 -5.255 21 HE1 MET 3 HE1 MET 3 9.535 -2.812 -5.374 22 HE2 MET 3 HE2 MET 3 8.572 -4.270 -5.623 23 HE3 MET 3 HE3 MET 3 8.396 -2.899 -6.717 24 HA PRO 4 HA PRO 4 16.655 -9.182 -6.640 25 HB2 PRO 4 HB2 PRO 4 15.524 -11.841 -6.084 26 HB3 PRO 4 HB1 PRO 4 16.821 -10.997 -5.235 27 HG2 PRO 4 HG2 PRO 4 14.358 -11.466 -4.119 28 HG3 PRO 4 HG1 PRO 4 15.388 -10.091 -3.669 29 HD2 PRO 4 HD2 PRO 4 13.016 -10.149 -5.542 30 HD3 PRO 4 HD1 PRO 4 13.444 -8.945 -4.300 31 H THR 5 HN THR 5 16.229 -8.541 -8.797 32 HA THR 5 HA THR 5 15.685 -8.601 -10.975 33 HB THR 5 HB THR 5 17.570 -10.247 -10.819 34 HG1 THR 5 HG1 THR 5 15.675 -10.682 -12.910 35 HG21 THR 5 HG21 THR 5 15.432 -12.391 -11.101 36 HG22 THR 5 HG22 THR 5 16.464 -12.150 -9.692 37 HG23 THR 5 HG23 THR 5 17.173 -12.643 -11.231 38 H SER 6 HN SER 6 13.397 -8.943 -9.258 39 HA SER 6 HA SER 6 11.739 -11.109 -10.079 40 HB2 SER 6 HB2 SER 6 9.980 -9.858 -8.698 41 HB3 SER 6 HB1 SER 6 11.475 -10.261 -7.852 42 HG SER 6 HG SER 6 10.756 -7.747 -8.950 43 H GLU 7 HN GLU 7 9.834 -11.088 -11.255 44 HA GLU 7 HA GLU 7 9.793 -9.448 -13.597 45 HB2 GLU 7 HB2 GLU 7 7.803 -11.509 -12.560 46 HB3 GLU 7 HB1 GLU 7 7.771 -10.803 -14.178 47 HG2 GLU 7 HG2 GLU 7 9.821 -11.878 -14.799 48 HG3 GLU 7 HG1 GLU 7 10.168 -12.346 -13.133 49 H GLU 8 HN GLU 8 8.232 -7.910 -14.203 50 HA GLU 8 HA GLU 8 6.861 -6.461 -12.109 51 HB2 GLU 8 HB2 GLU 8 6.845 -6.047 -15.125 52 HB3 GLU 8 HB1 GLU 8 6.209 -4.912 -13.932 53 HG2 GLU 8 HG2 GLU 8 8.561 -4.770 -12.968 54 HG3 GLU 8 HG1 GLU 8 9.105 -5.707 -14.362 55 H ASP 9 HN ASP 9 6.096 -9.226 -13.754 56 HA ASP 9 HA ASP 9 3.293 -8.870 -14.309 57 HB2 ASP 9 HB2 ASP 9 4.984 -11.408 -14.078 58 HB3 ASP 9 HB1 ASP 9 3.346 -11.342 -14.725 59 H LEU 10 HN LEU 10 4.447 -8.485 -11.447 60 HA LEU 10 HA LEU 10 3.457 -10.418 -9.705 61 HB2 LEU 10 HB2 LEU 10 3.756 -7.437 -9.221 62 HB3 LEU 10 HB1 LEU 10 3.577 -8.659 -7.968 63 HG LEU 10 HG LEU 10 5.947 -8.344 -9.856 64 HD11 LEU 10 HD11 LEU 10 5.926 -6.667 -8.067 65 HD12 LEU 10 HD12 LEU 10 7.241 -7.817 -7.829 66 HD13 LEU 10 HD13 LEU 10 5.775 -7.943 -6.852 67 HD21 LEU 10 HD21 LEU 10 7.026 -10.200 -8.598 68 HD22 LEU 10 HD22 LEU 10 5.589 -10.742 -9.461 69 HD23 LEU 10 HD23 LEU 10 5.519 -10.474 -7.719 70 H CYS 11 HN CYS 11 1.513 -10.783 -8.764 71 HA CYS 11 HA CYS 11 -0.953 -9.876 -9.753 72 HB2 CYS 11 HB2 CYS 11 -0.710 -11.969 -8.433 73 HB3 CYS 11 HB1 CYS 11 -0.258 -11.033 -7.014 74 HA PRO 12 HA PRO 12 -0.604 -5.657 -8.004 75 HB2 PRO 12 HB2 PRO 12 -3.229 -4.832 -8.463 76 HB3 PRO 12 HB1 PRO 12 -1.961 -4.844 -9.696 77 HG2 PRO 12 HG2 PRO 12 -4.091 -6.916 -9.147 78 HG3 PRO 12 HG1 PRO 12 -3.572 -6.231 -10.708 79 HD2 PRO 12 HD2 PRO 12 -2.705 -8.644 -9.914 80 HD3 PRO 12 HD1 PRO 12 -1.605 -7.533 -10.756 81 H ILE 13 HN ILE 13 -3.050 -7.945 -7.049 82 HA ILE 13 HA ILE 13 -4.038 -6.671 -4.702 83 HB ILE 13 HB ILE 13 -4.109 -9.594 -5.587 84 HG12 ILE 13 HG12 ILE 13 -6.202 -7.395 -5.973 85 HG13 ILE 13 HG11 ILE 13 -5.126 -7.996 -7.227 86 HG21 ILE 13 HG21 ILE 13 -4.610 -9.446 -3.188 87 HG22 ILE 13 HG22 ILE 13 -6.069 -9.860 -4.082 88 HG23 ILE 13 HG23 ILE 13 -5.836 -8.215 -3.488 89 HD11 ILE 13 HD11 ILE 13 -7.363 -8.893 -7.450 90 HD12 ILE 13 HD12 ILE 13 -7.276 -9.589 -5.835 91 HD13 ILE 13 HD13 ILE 13 -6.210 -10.183 -7.112 92 H CYS 14 HN CYS 14 -1.255 -8.754 -5.311 93 HA CYS 14 HA CYS 14 -0.935 -9.323 -2.413 94 HB2 CYS 14 HB2 CYS 14 -0.245 -11.107 -4.765 95 HB3 CYS 14 HB1 CYS 14 0.054 -11.492 -3.073 96 H TYR 15 HN TYR 15 0.875 -9.101 -5.462 97 HA TYR 15 HA TYR 15 2.797 -8.161 -6.113 98 HB2 TYR 15 HB2 TYR 15 3.321 -7.302 -3.241 99 HB3 TYR 15 HB1 TYR 15 4.262 -6.811 -4.644 100 HD1 TYR 15 HD2 TYR 15 2.733 -5.690 -6.616 101 HD2 TYR 15 HD1 TYR 15 1.733 -5.769 -2.459 102 HE1 TYR 15 HE2 TYR 15 1.263 -3.733 -6.917 103 HE2 TYR 15 HE1 TYR 15 0.281 -3.833 -2.768 104 HH TYR 15 HH TYR 15 -0.718 -2.714 -5.753 105 H ALA 16 HN ALA 16 3.021 -10.088 -3.125 106 HA ALA 16 HA ALA 16 5.711 -10.816 -3.250 107 HB1 ALA 16 HB1 ALA 16 5.120 -12.621 -1.684 108 HB2 ALA 16 HB2 ALA 16 3.411 -12.404 -2.067 109 HB3 ALA 16 HB3 ALA 16 4.302 -11.119 -1.251 110 H HIS 17 HN HIS 17 2.944 -12.191 -4.928 111 HA HIS 17 HA HIS 17 4.680 -14.097 -6.391 112 HB2 HIS 17 HB2 HIS 17 1.884 -14.590 -5.276 113 HB3 HIS 17 HB1 HIS 17 2.544 -15.564 -6.579 114 HD1 HIS 17 HD1 HIS 17 2.787 -17.765 -5.386 115 HD2 HIS 17 HD2 HIS 17 4.534 -14.655 -3.264 116 HE1 HIS 17 HE1 HIS 17 4.011 -18.842 -3.493 117 HE2 HIS 17 HE2 HIS 17 4.943 -16.933 -2.150 118 HA PRO 18 HA PRO 18 3.189 -12.051 -10.018 119 HB2 PRO 18 HB2 PRO 18 3.447 -13.895 -11.969 120 HB3 PRO 18 HB1 PRO 18 4.859 -13.295 -11.084 121 HG2 PRO 18 HG2 PRO 18 3.281 -15.834 -10.629 122 HG3 PRO 18 HG1 PRO 18 5.044 -15.627 -10.764 123 HD2 PRO 18 HD2 PRO 18 3.776 -15.778 -8.352 124 HD3 PRO 18 HD1 PRO 18 5.242 -14.803 -8.592 125 H ILE 19 HN ILE 19 1.801 -12.775 -12.192 126 HA ILE 19 HA ILE 19 -0.923 -13.384 -11.313 127 HB ILE 19 HB ILE 19 0.250 -12.552 -14.012 128 HG12 ILE 19 HG12 ILE 19 -1.556 -10.991 -12.083 129 HG13 ILE 19 HG11 ILE 19 0.179 -10.753 -12.250 130 HG21 ILE 19 HG21 ILE 19 -2.685 -13.015 -13.338 131 HG22 ILE 19 HG22 ILE 19 -1.696 -13.996 -14.420 132 HG23 ILE 19 HG23 ILE 19 -2.072 -12.330 -14.846 133 HD11 ILE 19 HD11 ILE 19 -1.880 -10.250 -14.399 134 HD12 ILE 19 HD12 ILE 19 -0.141 -9.979 -14.546 135 HD13 ILE 19 HD13 ILE 19 -1.090 -9.031 -13.402 136 H SER 20 HN SER 20 -2.023 -15.227 -11.938 137 HA SER 20 HA SER 20 -0.612 -17.334 -13.458 138 HB2 SER 20 HB2 SER 20 -0.533 -17.853 -11.029 139 HB3 SER 20 HB1 SER 20 -2.282 -17.713 -10.927 140 HG SER 20 HG SER 20 -1.907 -19.457 -12.819 141 H ALA 21 HN ALA 21 -3.461 -15.408 -13.114 142 HA ALA 21 HA ALA 21 -5.030 -17.187 -14.844 143 HB1 ALA 21 HB1 ALA 21 -6.964 -17.197 -13.329 144 HB2 ALA 21 HB2 ALA 21 -6.055 -16.277 -12.126 145 HB3 ALA 21 HB3 ALA 21 -5.558 -17.919 -12.542 146 H VAL 22 HN VAL 22 -6.139 -16.079 -16.320 147 HA VAL 22 HA VAL 22 -6.897 -13.257 -15.936 148 HB VAL 22 HB VAL 22 -5.671 -13.712 -18.026 149 HG11 VAL 22 HG11 VAL 22 -6.568 -15.145 -19.829 150 HG12 VAL 22 HG12 VAL 22 -7.885 -15.663 -18.776 151 HG13 VAL 22 HG13 VAL 22 -6.219 -16.084 -18.376 152 HG21 VAL 22 HG21 VAL 22 -8.601 -13.126 -18.631 153 HG22 VAL 22 HG22 VAL 22 -7.226 -12.718 -19.661 154 HG23 VAL 22 HG23 VAL 22 -7.402 -11.945 -18.085 155 H PHE 23 HN PHE 23 -9.023 -12.643 -15.992 156 HA PHE 23 HA PHE 23 -11.112 -14.714 -15.803 157 HB2 PHE 23 HB2 PHE 23 -11.359 -11.755 -15.069 158 HB3 PHE 23 HB1 PHE 23 -12.470 -13.058 -14.643 159 HD1 PHE 23 HD1 PHE 23 -10.954 -15.177 -13.557 160 HD2 PHE 23 HD2 PHE 23 -10.193 -10.985 -13.167 161 HE1 PHE 23 HE1 PHE 23 -9.673 -15.596 -11.511 162 HE2 PHE 23 HE2 PHE 23 -8.920 -11.417 -11.111 163 HZ PHE 23 HZ PHE 23 -8.650 -13.722 -10.287 164 H GLN 24 HN GLN 24 -11.287 -15.171 -17.926 165 HA GLN 24 HA GLN 24 -11.575 -13.144 -19.992 166 HB2 GLN 24 HB2 GLN 24 -10.185 -15.209 -20.288 167 HB3 GLN 24 HB1 GLN 24 -11.623 -16.203 -20.115 168 HG2 GLN 24 HG2 GLN 24 -12.528 -15.308 -22.201 169 HG3 GLN 24 HG1 GLN 24 -11.169 -14.200 -22.349 170 HE21 GLN 24 HE21 GLN 24 -10.804 -17.540 -21.326 171 HE22 GLN 24 HE22 GLN 24 -9.997 -18.083 -22.749 172 HA PRO 25 HA PRO 25 -12.559 -12.789 -21.951 173 HB2 PRO 25 HB2 PRO 25 -14.438 -11.599 -23.402 174 HB3 PRO 25 HB1 PRO 25 -14.364 -13.367 -23.341 175 HG2 PRO 25 HG2 PRO 25 -16.184 -11.503 -21.823 176 HG3 PRO 25 HG1 PRO 25 -16.594 -12.999 -22.688 177 HD2 PRO 25 HD2 PRO 25 -16.103 -12.816 -19.933 178 HD3 PRO 25 HD1 PRO 25 -16.026 -14.318 -20.877 179 H CYS 26 HN CYS 26 -13.643 -11.410 -19.189 180 HA CYS 26 HA CYS 26 -14.035 -8.687 -19.819 181 HB2 CYS 26 HB2 CYS 26 -14.658 -9.525 -17.612 182 HB3 CYS 26 HB1 CYS 26 -12.965 -9.844 -17.224 183 H GLY 27 HN GLY 27 -11.053 -10.301 -18.635 184 HA2 GLY 27 HA2 GLY 27 -9.053 -9.734 -20.034 185 HA3 GLY 27 HA1 GLY 27 -9.447 -8.050 -19.741 186 H HIS 28 HN HIS 28 -10.123 -8.213 -16.984 187 HA HIS 28 HA HIS 28 -7.703 -7.724 -15.757 188 HB2 HIS 28 HB2 HIS 28 -10.351 -8.525 -14.505 189 HB3 HIS 28 HB1 HIS 28 -8.956 -8.069 -13.530 190 HD2 HIS 28 HD2 HIS 28 -7.938 -5.385 -14.495 191 HE1 HIS 28 HE1 HIS 28 -11.944 -4.143 -14.956 192 HE2 HIS 28 HE2 HIS 28 -9.525 -3.418 -15.022 193 H LYS 29 HN LYS 29 -6.177 -8.838 -14.671 194 HA LYS 29 HA LYS 29 -6.483 -11.760 -14.310 195 HB2 LYS 29 HB2 LYS 29 -3.861 -10.277 -14.770 196 HB3 LYS 29 HB1 LYS 29 -4.098 -12.009 -14.647 197 HG2 LYS 29 HG2 LYS 29 -3.987 -11.957 -16.912 198 HG3 LYS 29 HG1 LYS 29 -5.684 -11.482 -16.804 199 HD2 LYS 29 HD2 LYS 29 -5.052 -9.113 -16.956 200 HD3 LYS 29 HD1 LYS 29 -3.340 -9.554 -16.973 201 HE2 LYS 29 HE2 LYS 29 -3.695 -10.758 -19.121 202 HE3 LYS 29 HE1 LYS 29 -5.391 -10.263 -19.103 203 HZ1 LYS 29 HZ1 LYS 29 -3.059 -8.438 -19.186 204 HZ2 LYS 29 HZ2 LYS 29 -4.675 -7.969 -19.148 205 HZ3 LYS 29 HZ3 LYS 29 -4.078 -8.809 -20.482 206 H SER 30 HN SER 30 -5.078 -12.644 -12.633 207 HA SER 30 HA SER 30 -3.668 -11.115 -10.708 208 HB2 SER 30 HB2 SER 30 -5.053 -11.583 -8.704 209 HB3 SER 30 HB1 SER 30 -6.002 -10.654 -9.863 210 HG SER 30 HG SER 30 -6.866 -12.722 -10.558 211 H CYS 31 HN CYS 31 -3.184 -12.849 -8.733 212 HA CYS 31 HA CYS 31 -2.328 -15.336 -9.899 213 HB2 CYS 31 HB2 CYS 31 -1.554 -15.937 -7.697 214 HB3 CYS 31 HB1 CYS 31 -1.198 -14.228 -7.915 215 H LYS 32 HN LYS 32 -3.263 -17.438 -9.475 216 HA LYS 32 HA LYS 32 -6.129 -17.416 -9.607 217 HB2 LYS 32 HB2 LYS 32 -4.608 -18.938 -10.908 218 HB3 LYS 32 HB1 LYS 32 -4.254 -19.804 -9.417 219 HG2 LYS 32 HG2 LYS 32 -6.545 -20.590 -9.253 220 HG3 LYS 32 HG1 LYS 32 -7.053 -19.542 -10.578 221 HD2 LYS 32 HD2 LYS 32 -6.841 -21.878 -11.349 222 HD3 LYS 32 HD1 LYS 32 -5.670 -20.840 -12.166 223 HE2 LYS 32 HE2 LYS 32 -3.923 -21.629 -10.529 224 HE3 LYS 32 HE1 LYS 32 -5.111 -22.756 -9.872 225 HZ1 LYS 32 HZ1 LYS 32 -3.651 -23.796 -11.486 226 HZ2 LYS 32 HZ2 LYS 32 -4.150 -22.706 -12.673 227 HZ3 LYS 32 HZ3 LYS 32 -5.246 -23.806 -12.026 228 H ALA 33 HN ALA 33 -3.853 -17.775 -7.051 229 HA ALA 33 HA ALA 33 -5.370 -18.979 -5.030 230 HB1 ALA 33 HB1 ALA 33 -3.889 -17.801 -3.460 231 HB2 ALA 33 HB2 ALA 33 -3.323 -16.752 -4.764 232 HB3 ALA 33 HB3 ALA 33 -2.971 -18.479 -4.805 233 H CYS 34 HN CYS 34 -5.292 -15.621 -6.186 234 HA CYS 34 HA CYS 34 -6.897 -14.358 -4.284 235 HB2 CYS 34 HB2 CYS 34 -6.135 -13.692 -7.105 236 HB3 CYS 34 HB1 CYS 34 -7.558 -12.876 -6.481 237 H ILE 35 HN ILE 35 -7.904 -15.909 -7.374 238 HA ILE 35 HA ILE 35 -10.657 -15.225 -6.980 239 HB ILE 35 HB ILE 35 -9.727 -15.491 -9.262 240 HG12 ILE 35 HG12 ILE 35 -11.684 -16.698 -10.251 241 HG13 ILE 35 HG11 ILE 35 -12.071 -17.379 -8.675 242 HG21 ILE 35 HG21 ILE 35 -9.363 -17.718 -10.260 243 HG22 ILE 35 HG22 ILE 35 -9.635 -18.473 -8.689 244 HG23 ILE 35 HG23 ILE 35 -8.247 -17.412 -8.928 245 HD11 ILE 35 HD11 ILE 35 -13.528 -15.517 -9.252 246 HD12 ILE 35 HD12 ILE 35 -12.139 -14.443 -9.397 247 HD13 ILE 35 HD13 ILE 35 -12.563 -15.134 -7.828 248 H ASN 36 HN ASN 36 -8.708 -18.107 -6.289 249 HA ASN 36 HA ASN 36 -10.755 -19.893 -5.559 250 HB2 ASN 36 HB2 ASN 36 -8.449 -20.669 -5.749 251 HB3 ASN 36 HB1 ASN 36 -7.926 -19.591 -4.460 252 HD21 ASN 36 HD21 ASN 36 -8.207 -20.235 -2.319 253 HD22 ASN 36 HD22 ASN 36 -8.781 -21.801 -1.863 254 H GLN 37 HN GLN 37 -8.992 -17.498 -3.630 255 HA GLN 37 HA GLN 37 -10.457 -17.890 -1.204 256 HB2 GLN 37 HB2 GLN 37 -8.557 -15.689 -2.114 257 HB3 GLN 37 HB1 GLN 37 -9.214 -15.807 -0.483 258 HG2 GLN 37 HG2 GLN 37 -8.112 -17.966 -0.150 259 HG3 GLN 37 HG1 GLN 37 -7.524 -17.949 -1.811 260 HE21 GLN 37 HE21 GLN 37 -7.169 -16.530 1.369 261 HE22 GLN 37 HE22 GLN 37 -5.619 -15.816 1.092 262 H HIS 38 HN HIS 38 -10.996 -16.005 -4.056 263 HA HIS 38 HA HIS 38 -12.813 -14.076 -2.915 264 HB2 HIS 38 HB2 HIS 38 -11.466 -13.688 -5.008 265 HB3 HIS 38 HB1 HIS 38 -12.460 -14.875 -5.837 266 HD2 HIS 38 HD2 HIS 38 -14.976 -13.964 -6.639 267 HE1 HIS 38 HE1 HIS 38 -14.366 -9.984 -5.342 268 HE2 HIS 38 HE2 HIS 38 -15.971 -11.574 -6.470 269 H LEU 39 HN LEU 39 -13.059 -17.191 -4.562 270 HA LEU 39 HA LEU 39 -15.916 -17.242 -4.809 271 HB2 LEU 39 HB2 LEU 39 -13.843 -19.440 -5.070 272 HB3 LEU 39 HB1 LEU 39 -15.552 -19.666 -5.415 273 HG LEU 39 HG LEU 39 -13.710 -17.755 -6.918 274 HD11 LEU 39 HD11 LEU 39 -14.794 -20.442 -7.808 275 HD12 LEU 39 HD12 LEU 39 -13.116 -20.072 -7.405 276 HD13 LEU 39 HD13 LEU 39 -13.868 -19.316 -8.807 277 HD21 LEU 39 HD21 LEU 39 -16.015 -16.928 -6.913 278 HD22 LEU 39 HD22 LEU 39 -16.602 -18.488 -7.490 279 HD23 LEU 39 HD23 LEU 39 -15.568 -17.495 -8.520 280 H MET 40 HN MET 40 -13.997 -17.463 -2.126 281 HA MET 40 HA MET 40 -15.589 -19.254 -0.517 282 HB2 MET 40 HB2 MET 40 -13.648 -17.067 0.371 283 HB3 MET 40 HB1 MET 40 -14.277 -18.368 1.379 284 HG2 MET 40 HG2 MET 40 -12.448 -18.687 -1.005 285 HG3 MET 40 HG1 MET 40 -11.985 -18.824 0.692 286 HE1 MET 40 HE1 MET 40 -11.482 -21.011 -1.716 287 HE2 MET 40 HE2 MET 40 -11.755 -22.497 -0.806 288 HE3 MET 40 HE3 MET 40 -10.836 -21.181 -0.079 289 H ASN 41 HN ASN 41 -15.990 -16.064 -1.708 290 HA ASN 41 HA ASN 41 -18.319 -15.598 0.046 291 HB2 ASN 41 HB2 ASN 41 -16.374 -14.190 0.832 292 HB3 ASN 41 HB1 ASN 41 -16.311 -13.430 -0.755 293 HD21 ASN 41 HD21 ASN 41 -18.105 -13.681 2.240 294 HD22 ASN 41 HD22 ASN 41 -19.120 -12.306 1.978 295 H ASN 42 HN ASN 42 -16.719 -13.988 -2.744 296 HA ASN 42 HA ASN 42 -19.347 -13.637 -4.065 297 HB2 ASN 42 HB2 ASN 42 -16.707 -12.138 -4.359 298 HB3 ASN 42 HB1 ASN 42 -18.095 -11.851 -5.398 299 HD21 ASN 42 HD21 ASN 42 -20.132 -12.014 -3.414 300 HD22 ASN 42 HD22 ASN 42 -19.972 -10.630 -2.392 301 H LYS 43 HN LYS 43 -18.847 -13.240 -6.603 302 HA LYS 43 HA LYS 43 -17.012 -15.211 -7.759 303 HB2 LYS 43 HB2 LYS 43 -19.204 -16.407 -7.456 304 HB3 LYS 43 HB1 LYS 43 -20.008 -15.152 -8.393 305 HG2 LYS 43 HG2 LYS 43 -18.561 -15.793 -10.363 306 HG3 LYS 43 HG1 LYS 43 -17.935 -17.137 -9.397 307 HD2 LYS 43 HD2 LYS 43 -20.220 -18.065 -9.199 308 HD3 LYS 43 HD1 LYS 43 -20.857 -16.712 -10.137 309 HE2 LYS 43 HE2 LYS 43 -19.530 -17.444 -12.090 310 HE3 LYS 43 HE1 LYS 43 -18.893 -18.796 -11.151 311 HZ1 LYS 43 HZ1 LYS 43 -21.746 -18.358 -11.844 312 HZ2 LYS 43 HZ2 LYS 43 -21.147 -19.643 -10.931 313 HZ3 LYS 43 HZ3 LYS 43 -20.714 -19.494 -12.555 314 H ASP 44 HN ASP 44 -16.090 -12.965 -8.002 315 HA ASP 44 HA ASP 44 -17.142 -11.516 -10.345 316 HB2 ASP 44 HB2 ASP 44 -16.586 -10.230 -7.634 317 HB3 ASP 44 HB1 ASP 44 -16.852 -9.321 -9.116 318 H CYS 45 HN CYS 45 -15.663 -9.889 -11.144 319 HA CYS 45 HA CYS 45 -12.946 -11.006 -11.319 320 HB2 CYS 45 HB2 CYS 45 -14.184 -10.877 -13.386 321 HB3 CYS 45 HB1 CYS 45 -14.633 -9.207 -13.097 322 H PHE 46 HN PHE 46 -13.678 -9.368 -9.046 323 HA PHE 46 HA PHE 46 -12.695 -7.957 -7.635 324 HB2 PHE 46 HB2 PHE 46 -10.353 -8.283 -9.550 325 HB3 PHE 46 HB1 PHE 46 -10.227 -7.505 -7.975 326 HD1 PHE 46 HD2 PHE 46 -10.735 -10.737 -9.714 327 HD2 PHE 46 HD1 PHE 46 -10.275 -8.826 -5.914 328 HE1 PHE 46 HE2 PHE 46 -10.337 -12.924 -8.655 329 HE2 PHE 46 HE1 PHE 46 -9.889 -11.014 -4.873 330 HZ PHE 46 HZ PHE 46 -9.917 -13.058 -6.235 331 H PHE 47 HN PHE 47 -11.072 -6.558 -10.503 332 HA PHE 47 HA PHE 47 -11.531 -3.878 -9.430 333 HB2 PHE 47 HB2 PHE 47 -9.804 -4.879 -11.712 334 HB3 PHE 47 HB1 PHE 47 -9.789 -3.233 -11.091 335 HD1 PHE 47 HD1 PHE 47 -9.197 -2.914 -8.595 336 HD2 PHE 47 HD2 PHE 47 -8.336 -6.511 -10.745 337 HE1 PHE 47 HE1 PHE 47 -7.528 -3.528 -6.904 338 HE2 PHE 47 HE2 PHE 47 -6.666 -7.114 -9.048 339 HZ PHE 47 HZ PHE 47 -6.259 -5.624 -7.127 340 H CYS 48 HN CYS 48 -13.805 -4.851 -10.381 341 HA CYS 48 HA CYS 48 -14.976 -2.969 -12.002 342 HB2 CYS 48 HB2 CYS 48 -15.393 -4.127 -14.130 343 HB3 CYS 48 HB1 CYS 48 -13.650 -4.106 -13.875 344 H LYS 49 HN LYS 49 -14.811 -6.243 -10.802 345 HA LYS 49 HA LYS 49 -16.189 -7.739 -9.898 346 HB2 LYS 49 HB2 LYS 49 -18.020 -5.347 -9.410 347 HB3 LYS 49 HB1 LYS 49 -18.240 -6.935 -8.685 348 HG2 LYS 49 HG2 LYS 49 -16.013 -6.678 -7.575 349 HG3 LYS 49 HG1 LYS 49 -15.917 -5.043 -8.223 350 HD2 LYS 49 HD2 LYS 49 -18.038 -6.065 -6.288 351 HD3 LYS 49 HD1 LYS 49 -16.649 -5.074 -5.852 352 HE2 LYS 49 HE2 LYS 49 -18.426 -3.538 -5.943 353 HE3 LYS 49 HE1 LYS 49 -17.636 -3.323 -7.503 354 HZ1 LYS 49 HZ1 LYS 49 -20.066 -3.419 -7.641 355 HZ2 LYS 49 HZ2 LYS 49 -20.045 -4.997 -7.043 356 HZ3 LYS 49 HZ3 LYS 49 -19.338 -4.650 -8.534 357 H THR 50 HN THR 50 -16.301 -7.399 -12.735 358 HA THR 50 HA THR 50 -18.914 -8.114 -13.630 359 HB THR 50 HB THR 50 -16.278 -9.057 -14.862 360 HG1 THR 50 HG1 THR 50 -17.608 -6.596 -15.395 361 HG21 THR 50 HG21 THR 50 -17.525 -8.997 -16.976 362 HG22 THR 50 HG22 THR 50 -18.969 -8.420 -16.146 363 HG23 THR 50 HG23 THR 50 -18.353 -10.045 -15.827 364 H THR 51 HN THR 51 -19.944 -10.068 -13.322 365 HA THR 51 HA THR 51 -19.041 -12.059 -11.598 366 HB THR 51 HB THR 51 -21.151 -12.304 -13.780 367 HG1 THR 51 HG1 THR 51 -21.053 -10.982 -11.349 368 HG21 THR 51 HG21 THR 51 -20.559 -14.534 -12.858 369 HG22 THR 51 HG22 THR 51 -22.173 -14.048 -12.344 370 HG23 THR 51 HG23 THR 51 -20.824 -13.931 -11.216 371 H ILE 52 HN ILE 52 -17.865 -13.913 -11.859 372 HA ILE 52 HA ILE 52 -16.058 -14.105 -14.019 373 HB ILE 52 HB ILE 52 -16.689 -16.185 -11.871 374 HG12 ILE 52 HG12 ILE 52 -15.897 -13.982 -10.973 375 HG13 ILE 52 HG11 ILE 52 -14.759 -15.284 -10.654 376 HG21 ILE 52 HG21 ILE 52 -14.454 -17.143 -12.384 377 HG22 ILE 52 HG22 ILE 52 -14.279 -16.022 -13.737 378 HG23 ILE 52 HG23 ILE 52 -15.546 -17.251 -13.763 379 HD11 ILE 52 HD11 ILE 52 -14.482 -13.186 -12.821 380 HD12 ILE 52 HD12 ILE 52 -13.329 -14.484 -12.498 381 HD13 ILE 52 HD13 ILE 52 -13.612 -13.233 -11.290 382 H VAL 53 HN VAL 53 -16.646 -14.676 -16.018 383 HA VAL 53 HA VAL 53 -18.607 -16.684 -16.670 384 HB VAL 53 HB VAL 53 -16.473 -15.381 -18.434 385 HG11 VAL 53 HG11 VAL 53 -18.937 -16.967 -19.265 386 HG12 VAL 53 HG12 VAL 53 -17.260 -17.485 -19.430 387 HG13 VAL 53 HG13 VAL 53 -17.849 -16.111 -20.363 388 HG21 VAL 53 HG21 VAL 53 -19.405 -14.629 -18.071 389 HG22 VAL 53 HG22 VAL 53 -18.290 -13.887 -19.221 390 HG23 VAL 53 HG23 VAL 53 -18.015 -13.710 -17.489 391 H SER 54 HN SER 54 -15.027 -16.471 -17.056 392 HA SER 54 HA SER 54 -14.679 -19.228 -16.184 393 HB2 SER 54 HB2 SER 54 -13.829 -18.355 -18.984 394 HB3 SER 54 HB1 SER 54 -13.372 -19.876 -18.220 395 HG SER 54 HG SER 54 -15.905 -19.909 -18.004 396 H VAL 55 HN VAL 55 -12.829 -19.463 -15.084 397 HA VAL 55 HA VAL 55 -10.713 -17.413 -15.133 398 HB VAL 55 HB VAL 55 -10.973 -19.895 -13.348 399 HG11 VAL 55 HG11 VAL 55 -9.248 -18.828 -11.928 400 HG12 VAL 55 HG12 VAL 55 -9.101 -17.505 -13.088 401 HG13 VAL 55 HG13 VAL 55 -8.640 -19.144 -13.553 402 HG21 VAL 55 HG21 VAL 55 -12.815 -18.343 -12.902 403 HG22 VAL 55 HG22 VAL 55 -11.680 -17.008 -12.696 404 HG23 VAL 55 HG23 VAL 55 -11.683 -18.352 -11.549 405 H GLU 56 HN GLU 56 -9.472 -17.758 -16.910 406 HA GLU 56 HA GLU 56 -8.375 -20.429 -17.522 407 HB2 GLU 56 HB2 GLU 56 -8.220 -17.751 -18.985 408 HB3 GLU 56 HB1 GLU 56 -7.360 -19.195 -19.513 409 HG2 GLU 56 HG2 GLU 56 -10.374 -19.027 -19.235 410 HG3 GLU 56 HG1 GLU 56 -9.499 -18.723 -20.735 411 H ASP 57 HN ASP 57 -6.141 -20.852 -17.307 412 HA ASP 57 HA ASP 57 -4.601 -19.139 -15.565 413 HB2 ASP 57 HB2 ASP 57 -4.008 -21.758 -16.982 414 HB3 ASP 57 HB1 ASP 57 -2.691 -20.833 -16.269 415 H TRP 58 HN TRP 58 -3.673 -17.330 -16.236 416 HA TRP 58 HA TRP 58 -3.517 -16.626 -19.015 417 HB2 TRP 58 HB2 TRP 58 -4.191 -14.967 -17.312 418 HB3 TRP 58 HB1 TRP 58 -2.622 -15.100 -16.525 419 HD1 TRP 58 HD1 TRP 58 -4.052 -13.992 -19.987 420 HE1 TRP 58 HE1 TRP 58 -2.510 -12.167 -20.934 421 HE3 TRP 58 HE3 TRP 58 -0.485 -13.935 -16.324 422 HZ2 TRP 58 HZ2 TRP 58 -0.121 -10.855 -20.215 423 HZ3 TRP 58 HZ3 TRP 58 1.402 -12.372 -16.524 424 HH2 TRP 58 HH2 TRP 58 1.578 -10.864 -18.433 425 H GLU 59 HN GLU 59 -1.780 -16.615 -20.326 426 HA GLU 59 HA GLU 59 0.906 -17.330 -19.298 427 HB2 GLU 59 HB2 GLU 59 -0.177 -17.470 -22.153 428 HB3 GLU 59 HB1 GLU 59 1.400 -18.040 -21.605 429 HG2 GLU 59 HG2 GLU 59 0.243 -19.704 -20.142 430 HG3 GLU 59 HG1 GLU 59 -1.297 -19.175 -20.813 431 H LYS 60 HN LYS 60 2.507 -15.820 -19.440 432 HA LYS 60 HA LYS 60 1.937 -13.184 -20.519 433 HB2 LYS 60 HB2 LYS 60 4.232 -12.600 -19.653 434 HB3 LYS 60 HB1 LYS 60 3.108 -13.175 -18.435 435 HG2 LYS 60 HG2 LYS 60 4.216 -15.348 -18.342 436 HG3 LYS 60 HG1 LYS 60 5.280 -14.902 -19.680 437 HD2 LYS 60 HD2 LYS 60 5.215 -13.536 -16.957 438 HD3 LYS 60 HD1 LYS 60 6.410 -14.730 -17.472 439 HE2 LYS 60 HE2 LYS 60 7.182 -13.217 -19.250 440 HE3 LYS 60 HE1 LYS 60 5.959 -12.029 -18.799 441 HZ1 LYS 60 HZ1 LYS 60 7.015 -11.806 -16.658 442 HZ2 LYS 60 HZ2 LYS 60 8.116 -11.488 -17.893 443 HZ3 LYS 60 HZ3 LYS 60 8.174 -12.960 -17.070 444 H GLY 61 HN GLY 61 1.993 -13.022 -22.661 445 HA2 GLY 61 HA2 GLY 61 4.289 -12.833 -24.177 446 HA3 GLY 61 HA1 GLY 61 3.723 -14.484 -24.434 Start of MODEL 11 1 H1 SER 1 HT1 SER 1 3.103 2.005 4.805 2 H2 SER 1 HT2 SER 1 3.824 3.263 3.935 3 H3 SER 1 HT3 SER 1 2.913 3.602 5.320 4 HA SER 1 HA SER 1 5.261 3.777 5.747 5 HB2 SER 1 HB2 SER 1 3.966 1.392 7.145 6 HB3 SER 1 HB1 SER 1 5.285 2.380 7.784 7 HG SER 1 HG SER 1 3.838 3.746 8.476 8 H HIS 2 HN HIS 2 4.270 0.682 4.371 9 HA HIS 2 HA HIS 2 6.909 -0.519 4.446 10 HB2 HIS 2 HB2 HIS 2 4.317 -1.374 3.084 11 HB3 HIS 2 HB1 HIS 2 5.792 -2.339 3.094 12 HD2 HIS 2 HD2 HIS 2 6.494 -3.450 5.603 13 HE1 HIS 2 HE1 HIS 2 2.698 -2.701 7.315 14 HE2 HIS 2 HE2 HIS 2 4.810 -4.086 7.464 15 H MET 3 HN MET 3 7.883 -1.398 2.401 16 HA MET 3 HA MET 3 8.185 0.674 0.394 17 HB2 MET 3 HB2 MET 3 9.541 -2.031 0.739 18 HB3 MET 3 HB1 MET 3 9.963 -0.873 -0.518 19 HG2 MET 3 HG2 MET 3 10.647 0.756 1.198 20 HG3 MET 3 HG1 MET 3 10.192 -0.379 2.468 21 HE1 MET 3 HE1 MET 3 12.038 -1.242 -0.952 22 HE2 MET 3 HE2 MET 3 13.722 -1.136 -0.447 23 HE3 MET 3 HE3 MET 3 12.726 0.320 -0.511 24 HA PRO 4 HA PRO 4 4.976 -0.944 -2.264 25 HB2 PRO 4 HB2 PRO 4 6.459 0.430 -4.488 26 HB3 PRO 4 HB1 PRO 4 4.785 0.639 -3.955 27 HG2 PRO 4 HG2 PRO 4 6.601 2.501 -3.382 28 HG3 PRO 4 HG1 PRO 4 5.388 2.035 -2.168 29 HD2 PRO 4 HD2 PRO 4 8.276 1.177 -2.381 30 HD3 PRO 4 HD1 PRO 4 7.368 1.712 -0.948 31 H THR 5 HN THR 5 8.313 -1.644 -2.877 32 HA THR 5 HA THR 5 9.447 -3.355 -3.808 33 HB THR 5 HB THR 5 6.748 -4.716 -4.254 34 HG1 THR 5 HG1 THR 5 6.985 -4.309 -2.081 35 HG21 THR 5 HG21 THR 5 8.578 -5.825 -5.523 36 HG22 THR 5 HG22 THR 5 8.022 -6.835 -4.187 37 HG23 THR 5 HG23 THR 5 9.531 -5.936 -4.040 38 H SER 6 HN SER 6 10.035 -4.234 -5.960 39 HA SER 6 HA SER 6 9.560 -2.639 -8.202 40 HB2 SER 6 HB2 SER 6 10.461 -4.695 -9.484 41 HB3 SER 6 HB1 SER 6 11.487 -4.047 -8.209 42 HG SER 6 HG SER 6 9.785 -6.311 -8.017 43 H GLU 7 HN GLU 7 8.074 -2.717 -9.905 44 HA GLU 7 HA GLU 7 5.475 -3.657 -9.208 45 HB2 GLU 7 HB2 GLU 7 5.974 -1.533 -10.477 46 HB3 GLU 7 HB1 GLU 7 6.385 -2.513 -11.881 47 HG2 GLU 7 HG2 GLU 7 4.086 -3.383 -11.971 48 HG3 GLU 7 HG1 GLU 7 3.659 -2.453 -10.538 49 H GLU 8 HN GLU 8 7.548 -4.450 -12.002 50 HA GLU 8 HA GLU 8 7.786 -6.255 -13.366 51 HB2 GLU 8 HB2 GLU 8 7.054 -7.743 -10.807 52 HB3 GLU 8 HB1 GLU 8 7.856 -8.465 -12.196 53 HG2 GLU 8 HG2 GLU 8 9.790 -6.949 -11.842 54 HG3 GLU 8 HG1 GLU 8 8.983 -6.274 -10.425 55 H ASP 9 HN ASP 9 6.370 -8.836 -13.286 56 HA ASP 9 HA ASP 9 3.621 -8.110 -14.079 57 HB2 ASP 9 HB2 ASP 9 5.083 -10.787 -14.274 58 HB3 ASP 9 HB1 ASP 9 3.477 -10.450 -14.921 59 H LEU 10 HN LEU 10 4.571 -8.016 -11.268 60 HA LEU 10 HA LEU 10 3.624 -10.251 -9.794 61 HB2 LEU 10 HB2 LEU 10 4.106 -7.390 -8.897 62 HB3 LEU 10 HB1 LEU 10 3.786 -8.738 -7.811 63 HG LEU 10 HG LEU 10 6.226 -8.401 -9.596 64 HD11 LEU 10 HD11 LEU 10 5.985 -8.365 -6.574 65 HD12 LEU 10 HD12 LEU 10 6.279 -6.969 -7.609 66 HD13 LEU 10 HD13 LEU 10 7.488 -8.245 -7.497 67 HD21 LEU 10 HD21 LEU 10 5.542 -10.711 -7.742 68 HD22 LEU 10 HD22 LEU 10 7.100 -10.468 -8.535 69 HD23 LEU 10 HD23 LEU 10 5.661 -10.780 -9.503 70 H CYS 11 HN CYS 11 1.732 -10.595 -8.722 71 HA CYS 11 HA CYS 11 -0.718 -9.555 -9.631 72 HB2 CYS 11 HB2 CYS 11 -0.564 -11.741 -8.490 73 HB3 CYS 11 HB1 CYS 11 -0.040 -10.950 -7.007 74 HA PRO 12 HA PRO 12 -0.268 -5.529 -7.554 75 HB2 PRO 12 HB2 PRO 12 -2.726 -4.457 -8.153 76 HB3 PRO 12 HB1 PRO 12 -1.431 -4.613 -9.350 77 HG2 PRO 12 HG2 PRO 12 -3.770 -6.467 -8.842 78 HG3 PRO 12 HG1 PRO 12 -3.198 -5.792 -10.385 79 HD2 PRO 12 HD2 PRO 12 -2.530 -8.290 -9.653 80 HD3 PRO 12 HD1 PRO 12 -1.351 -7.248 -10.483 81 H ILE 13 HN ILE 13 -2.569 -7.906 -6.761 82 HA ILE 13 HA ILE 13 -3.778 -6.594 -4.473 83 HB ILE 13 HB ILE 13 -4.002 -9.481 -5.447 84 HG12 ILE 13 HG12 ILE 13 -5.830 -7.118 -6.139 85 HG13 ILE 13 HG11 ILE 13 -4.645 -7.824 -7.231 86 HG21 ILE 13 HG21 ILE 13 -4.805 -9.220 -3.134 87 HG22 ILE 13 HG22 ILE 13 -6.156 -9.541 -4.219 88 HG23 ILE 13 HG23 ILE 13 -5.877 -7.902 -3.625 89 HD11 ILE 13 HD11 ILE 13 -7.091 -9.205 -6.132 90 HD12 ILE 13 HD12 ILE 13 -5.906 -9.925 -7.226 91 HD13 ILE 13 HD13 ILE 13 -6.886 -8.559 -7.758 92 H CYS 14 HN CYS 14 -0.918 -8.476 -5.055 93 HA CYS 14 HA CYS 14 -0.663 -9.242 -2.202 94 HB2 CYS 14 HB2 CYS 14 -0.059 -11.120 -4.507 95 HB3 CYS 14 HB1 CYS 14 0.067 -11.488 -2.788 96 H TYR 15 HN TYR 15 1.046 -9.210 -5.313 97 HA TYR 15 HA TYR 15 3.022 -8.497 -6.045 98 HB2 TYR 15 HB2 TYR 15 3.405 -7.363 -3.254 99 HB3 TYR 15 HB1 TYR 15 4.681 -7.282 -4.462 100 HD1 TYR 15 HD1 TYR 15 1.302 -6.051 -3.568 101 HD2 TYR 15 HD2 TYR 15 4.521 -5.733 -6.359 102 HE1 TYR 15 HE1 TYR 15 0.309 -3.999 -4.477 103 HE2 TYR 15 HE2 TYR 15 3.521 -3.677 -7.271 104 HH TYR 15 HH TYR 15 0.857 -2.067 -5.716 105 H ALA 16 HN ALA 16 3.164 -10.363 -3.006 106 HA ALA 16 HA ALA 16 5.825 -11.267 -3.278 107 HB1 ALA 16 HB1 ALA 16 5.263 -12.906 -1.559 108 HB2 ALA 16 HB2 ALA 16 3.543 -12.609 -1.820 109 HB3 ALA 16 HB3 ALA 16 4.567 -11.331 -1.165 110 H HIS 17 HN HIS 17 3.026 -12.233 -5.048 111 HA HIS 17 HA HIS 17 4.652 -14.200 -6.531 112 HB2 HIS 17 HB2 HIS 17 1.823 -14.652 -5.503 113 HB3 HIS 17 HB1 HIS 17 2.433 -15.530 -6.896 114 HD1 HIS 17 HD1 HIS 17 3.958 -17.500 -6.461 115 HD2 HIS 17 HD2 HIS 17 3.056 -15.375 -3.005 116 HE1 HIS 17 HE1 HIS 17 4.782 -18.916 -4.563 117 HE2 HIS 17 HE2 HIS 17 4.014 -17.716 -2.496 118 HA PRO 18 HA PRO 18 3.116 -11.811 -10.023 119 HB2 PRO 18 HB2 PRO 18 3.651 -13.453 -12.100 120 HB3 PRO 18 HB1 PRO 18 4.948 -12.721 -11.140 121 HG2 PRO 18 HG2 PRO 18 3.755 -15.487 -10.916 122 HG3 PRO 18 HG1 PRO 18 5.468 -15.010 -10.970 123 HD2 PRO 18 HD2 PRO 18 4.170 -15.541 -8.627 124 HD3 PRO 18 HD1 PRO 18 5.488 -14.352 -8.737 125 H ILE 19 HN ILE 19 1.872 -12.491 -12.298 126 HA ILE 19 HA ILE 19 -0.831 -13.189 -11.540 127 HB ILE 19 HB ILE 19 0.352 -12.687 -14.314 128 HG12 ILE 19 HG12 ILE 19 -1.146 -10.725 -12.497 129 HG13 ILE 19 HG11 ILE 19 0.590 -10.707 -12.785 130 HG21 ILE 19 HG21 ILE 19 -1.967 -12.282 -15.062 131 HG22 ILE 19 HG22 ILE 19 -2.572 -12.697 -13.457 132 HG23 ILE 19 HG23 ILE 19 -1.776 -13.924 -14.446 133 HD11 ILE 19 HD11 ILE 19 -1.561 -10.199 -14.843 134 HD12 ILE 19 HD12 ILE 19 0.176 -10.208 -15.160 135 HD13 ILE 19 HD13 ILE 19 -0.519 -8.999 -14.083 136 H SER 20 HN SER 20 -2.037 -14.971 -12.324 137 HA SER 20 HA SER 20 -0.593 -17.273 -13.481 138 HB2 SER 20 HB2 SER 20 -2.529 -17.498 -11.135 139 HB3 SER 20 HB1 SER 20 -1.499 -18.768 -11.808 140 HG SER 20 HG SER 20 0.316 -17.410 -11.129 141 H ALA 21 HN ALA 21 -3.590 -15.508 -12.974 142 HA ALA 21 HA ALA 21 -5.074 -17.251 -14.837 143 HB1 ALA 21 HB1 ALA 21 -7.050 -17.102 -13.370 144 HB2 ALA 21 HB2 ALA 21 -6.129 -16.158 -12.197 145 HB3 ALA 21 HB3 ALA 21 -5.691 -17.836 -12.518 146 H VAL 22 HN VAL 22 -6.745 -16.271 -15.973 147 HA VAL 22 HA VAL 22 -7.015 -13.333 -15.913 148 HB VAL 22 HB VAL 22 -5.620 -13.925 -17.868 149 HG11 VAL 22 HG11 VAL 22 -6.490 -15.283 -19.747 150 HG12 VAL 22 HG12 VAL 22 -7.905 -15.700 -18.782 151 HG13 VAL 22 HG13 VAL 22 -6.306 -16.232 -18.270 152 HG21 VAL 22 HG21 VAL 22 -8.418 -13.063 -18.701 153 HG22 VAL 22 HG22 VAL 22 -6.947 -12.838 -19.652 154 HG23 VAL 22 HG23 VAL 22 -7.131 -12.008 -18.107 155 H PHE 23 HN PHE 23 -9.137 -12.604 -16.220 156 HA PHE 23 HA PHE 23 -11.182 -14.681 -15.690 157 HB2 PHE 23 HB2 PHE 23 -11.256 -11.746 -14.854 158 HB3 PHE 23 HB1 PHE 23 -12.354 -13.025 -14.335 159 HD1 PHE 23 HD1 PHE 23 -10.716 -15.228 -13.533 160 HD2 PHE 23 HD2 PHE 23 -9.935 -11.052 -13.053 161 HE1 PHE 23 HE1 PHE 23 -9.233 -15.720 -11.638 162 HE2 PHE 23 HE2 PHE 23 -8.464 -11.553 -11.154 163 HZ PHE 23 HZ PHE 23 -8.097 -13.889 -10.451 164 H GLN 24 HN GLN 24 -12.171 -15.096 -17.558 165 HA GLN 24 HA GLN 24 -12.979 -13.056 -19.469 166 HB2 GLN 24 HB2 GLN 24 -13.264 -16.072 -19.295 167 HB3 GLN 24 HB1 GLN 24 -14.223 -15.173 -20.464 168 HG2 GLN 24 HG2 GLN 24 -12.210 -16.079 -21.485 169 HG3 GLN 24 HG1 GLN 24 -12.224 -14.317 -21.521 170 HE21 GLN 24 HE21 GLN 24 -10.825 -17.121 -19.929 171 HE22 GLN 24 HE22 GLN 24 -9.401 -16.328 -19.358 172 HA PRO 25 HA PRO 25 -14.400 -12.612 -20.885 173 HB2 PRO 25 HB2 PRO 25 -16.767 -11.295 -21.645 174 HB3 PRO 25 HB1 PRO 25 -16.404 -12.993 -21.955 175 HG2 PRO 25 HG2 PRO 25 -18.454 -11.989 -20.242 176 HG3 PRO 25 HG1 PRO 25 -17.938 -13.677 -20.421 177 HD2 PRO 25 HD2 PRO 25 -17.111 -11.655 -18.350 178 HD3 PRO 25 HD1 PRO 25 -17.380 -13.403 -18.178 179 H CYS 26 HN CYS 26 -12.974 -11.248 -19.576 180 HA CYS 26 HA CYS 26 -13.702 -8.408 -19.650 181 HB2 CYS 26 HB2 CYS 26 -14.275 -8.997 -17.371 182 HB3 CYS 26 HB1 CYS 26 -12.728 -9.821 -17.159 183 H GLY 27 HN GLY 27 -11.011 -10.475 -18.459 184 HA2 GLY 27 HA2 GLY 27 -8.891 -10.508 -19.668 185 HA3 GLY 27 HA1 GLY 27 -9.128 -8.811 -20.053 186 H HIS 28 HN HIS 28 -10.114 -8.638 -17.014 187 HA HIS 28 HA HIS 28 -7.727 -7.786 -15.803 188 HB2 HIS 28 HB2 HIS 28 -10.414 -8.567 -14.680 189 HB3 HIS 28 HB1 HIS 28 -9.081 -8.418 -13.547 190 HD2 HIS 28 HD2 HIS 28 -7.720 -5.669 -14.610 191 HE1 HIS 28 HE1 HIS 28 -11.580 -4.086 -13.980 192 HE2 HIS 28 HE2 HIS 28 -9.114 -3.559 -14.049 193 H LYS 29 HN LYS 29 -6.222 -8.767 -14.460 194 HA LYS 29 HA LYS 29 -6.224 -11.731 -14.334 195 HB2 LYS 29 HB2 LYS 29 -3.850 -9.977 -15.090 196 HB3 LYS 29 HB1 LYS 29 -3.861 -11.733 -14.988 197 HG2 LYS 29 HG2 LYS 29 -5.383 -11.865 -16.887 198 HG3 LYS 29 HG1 LYS 29 -5.470 -10.104 -16.968 199 HD2 LYS 29 HD2 LYS 29 -3.000 -10.064 -17.425 200 HD3 LYS 29 HD1 LYS 29 -3.017 -11.830 -17.458 201 HE2 LYS 29 HE2 LYS 29 -3.079 -10.925 -19.727 202 HE3 LYS 29 HE1 LYS 29 -4.575 -11.781 -19.358 203 HZ1 LYS 29 HZ1 LYS 29 -4.206 -8.839 -19.309 204 HZ2 LYS 29 HZ2 LYS 29 -5.640 -9.651 -18.956 205 HZ3 LYS 29 HZ3 LYS 29 -4.998 -9.720 -20.516 206 H SER 30 HN SER 30 -4.929 -12.615 -12.674 207 HA SER 30 HA SER 30 -3.291 -11.137 -10.882 208 HB2 SER 30 HB2 SER 30 -4.617 -11.406 -8.806 209 HB3 SER 30 HB1 SER 30 -5.510 -10.418 -9.961 210 HG SER 30 HG SER 30 -6.631 -12.382 -10.543 211 H CYS 31 HN CYS 31 -2.835 -12.717 -8.856 212 HA CYS 31 HA CYS 31 -2.001 -15.261 -9.845 213 HB2 CYS 31 HB2 CYS 31 -1.147 -15.657 -7.648 214 HB3 CYS 31 HB1 CYS 31 -0.957 -13.929 -7.908 215 H LYS 32 HN LYS 32 -2.854 -17.396 -9.213 216 HA LYS 32 HA LYS 32 -5.722 -17.417 -9.351 217 HB2 LYS 32 HB2 LYS 32 -4.274 -19.071 -10.534 218 HB3 LYS 32 HB1 LYS 32 -3.872 -19.801 -8.982 219 HG2 LYS 32 HG2 LYS 32 -6.281 -20.344 -8.638 220 HG3 LYS 32 HG1 LYS 32 -6.654 -19.630 -10.209 221 HD2 LYS 32 HD2 LYS 32 -5.284 -21.342 -11.326 222 HD3 LYS 32 HD1 LYS 32 -4.852 -22.033 -9.757 223 HE2 LYS 32 HE2 LYS 32 -7.188 -22.620 -9.343 224 HE3 LYS 32 HE1 LYS 32 -7.677 -21.872 -10.866 225 HZ1 LYS 32 HZ1 LYS 32 -6.416 -23.506 -12.062 226 HZ2 LYS 32 HZ2 LYS 32 -7.475 -24.295 -11.008 227 HZ3 LYS 32 HZ3 LYS 32 -5.832 -24.188 -10.632 228 H ALA 33 HN ALA 33 -3.487 -17.572 -6.713 229 HA ALA 33 HA ALA 33 -5.098 -18.708 -4.705 230 HB1 ALA 33 HB1 ALA 33 -3.088 -16.450 -4.414 231 HB2 ALA 33 HB2 ALA 33 -2.713 -18.173 -4.385 232 HB3 ALA 33 HB3 ALA 33 -3.703 -17.464 -3.108 233 H CYS 34 HN CYS 34 -5.090 -15.479 -6.106 234 HA CYS 34 HA CYS 34 -6.788 -14.130 -4.316 235 HB2 CYS 34 HB2 CYS 34 -5.913 -13.634 -7.138 236 HB3 CYS 34 HB1 CYS 34 -7.366 -12.802 -6.610 237 H ILE 35 HN ILE 35 -7.582 -15.876 -7.359 238 HA ILE 35 HA ILE 35 -10.385 -15.344 -7.116 239 HB ILE 35 HB ILE 35 -9.337 -15.674 -9.335 240 HG12 ILE 35 HG12 ILE 35 -11.124 -17.108 -10.336 241 HG13 ILE 35 HG11 ILE 35 -11.550 -17.696 -8.730 242 HG21 ILE 35 HG21 ILE 35 -8.781 -17.921 -10.180 243 HG22 ILE 35 HG22 ILE 35 -9.059 -18.595 -8.572 244 HG23 ILE 35 HG23 ILE 35 -7.744 -17.450 -8.832 245 HD11 ILE 35 HD11 ILE 35 -12.244 -15.442 -8.090 246 HD12 ILE 35 HD12 ILE 35 -13.095 -15.997 -9.531 247 HD13 ILE 35 HD13 ILE 35 -11.774 -14.839 -9.684 248 H ASN 36 HN ASN 36 -8.284 -18.008 -6.129 249 HA ASN 36 HA ASN 36 -10.243 -19.902 -5.400 250 HB2 ASN 36 HB2 ASN 36 -7.787 -20.385 -5.481 251 HB3 ASN 36 HB1 ASN 36 -7.552 -19.388 -4.052 252 HD21 ASN 36 HD21 ASN 36 -8.409 -20.150 -2.017 253 HD22 ASN 36 HD22 ASN 36 -8.762 -21.826 -1.777 254 H GLN 37 HN GLN 37 -8.726 -17.274 -3.570 255 HA GLN 37 HA GLN 37 -10.221 -17.608 -1.157 256 HB2 GLN 37 HB2 GLN 37 -7.970 -16.533 -1.277 257 HB3 GLN 37 HB1 GLN 37 -8.666 -15.191 -2.175 258 HG2 GLN 37 HG2 GLN 37 -10.047 -14.611 -0.209 259 HG3 GLN 37 HG1 GLN 37 -9.338 -15.949 0.688 260 HE21 GLN 37 HE21 GLN 37 -8.473 -14.568 2.287 261 HE22 GLN 37 HE22 GLN 37 -7.130 -13.525 1.979 262 H HIS 38 HN HIS 38 -10.782 -15.914 -4.160 263 HA HIS 38 HA HIS 38 -12.750 -14.068 -3.144 264 HB2 HIS 38 HB2 HIS 38 -11.321 -13.610 -5.177 265 HB3 HIS 38 HB1 HIS 38 -12.234 -14.832 -6.052 266 HD2 HIS 38 HD2 HIS 38 -14.766 -14.023 -6.939 267 HE1 HIS 38 HE1 HIS 38 -14.447 -10.065 -5.474 268 HE2 HIS 38 HE2 HIS 38 -15.655 -11.596 -7.081 269 H LEU 39 HN LEU 39 -12.812 -17.249 -4.741 270 HA LEU 39 HA LEU 39 -15.557 -17.189 -5.477 271 HB2 LEU 39 HB2 LEU 39 -13.607 -19.487 -5.213 272 HB3 LEU 39 HB1 LEU 39 -15.262 -19.715 -5.759 273 HG LEU 39 HG LEU 39 -13.140 -18.042 -7.169 274 HD11 LEU 39 HD11 LEU 39 -13.267 -19.735 -8.948 275 HD12 LEU 39 HD12 LEU 39 -14.402 -20.675 -7.976 276 HD13 LEU 39 HD13 LEU 39 -12.745 -20.440 -7.419 277 HD21 LEU 39 HD21 LEU 39 -14.793 -17.756 -8.983 278 HD22 LEU 39 HD22 LEU 39 -15.338 -17.008 -7.485 279 HD23 LEU 39 HD23 LEU 39 -16.020 -18.555 -7.993 280 H MET 40 HN MET 40 -14.000 -18.069 -2.478 281 HA MET 40 HA MET 40 -16.282 -19.412 -1.341 282 HB2 MET 40 HB2 MET 40 -15.080 -19.408 0.772 283 HB3 MET 40 HB1 MET 40 -13.993 -19.885 -0.518 284 HG2 MET 40 HG2 MET 40 -12.917 -17.720 -0.475 285 HG3 MET 40 HG1 MET 40 -14.089 -17.121 0.705 286 HE1 MET 40 HE1 MET 40 -14.437 -19.580 2.709 287 HE2 MET 40 HE2 MET 40 -14.180 -17.926 3.268 288 HE3 MET 40 HE3 MET 40 -13.186 -19.236 3.907 289 H ASN 41 HN ASN 41 -15.568 -16.132 -1.920 290 HA ASN 41 HA ASN 41 -17.600 -15.201 0.027 291 HB2 ASN 41 HB2 ASN 41 -15.560 -13.560 -1.538 292 HB3 ASN 41 HB1 ASN 41 -16.723 -12.910 -0.381 293 HD21 ASN 41 HD21 ASN 41 -13.706 -14.537 -0.790 294 HD22 ASN 41 HD22 ASN 41 -13.244 -14.560 0.873 295 H ASN 42 HN ASN 42 -16.553 -14.297 -3.279 296 HA ASN 42 HA ASN 42 -19.360 -14.135 -4.233 297 HB2 ASN 42 HB2 ASN 42 -17.146 -12.062 -4.585 298 HB3 ASN 42 HB1 ASN 42 -18.659 -12.041 -5.482 299 HD21 ASN 42 HD21 ASN 42 -17.154 -11.530 -2.386 300 HD22 ASN 42 HD22 ASN 42 -18.485 -10.719 -1.640 301 H LYS 43 HN LYS 43 -18.946 -13.396 -6.833 302 HA LYS 43 HA LYS 43 -16.895 -15.178 -8.018 303 HB2 LYS 43 HB2 LYS 43 -19.205 -16.283 -7.944 304 HB3 LYS 43 HB1 LYS 43 -19.759 -15.029 -9.049 305 HG2 LYS 43 HG2 LYS 43 -18.067 -15.809 -10.718 306 HG3 LYS 43 HG1 LYS 43 -17.608 -17.101 -9.605 307 HD2 LYS 43 HD2 LYS 43 -19.892 -18.037 -9.740 308 HD3 LYS 43 HD1 LYS 43 -20.366 -16.729 -10.832 309 HE2 LYS 43 HE2 LYS 43 -18.729 -17.512 -12.494 310 HE3 LYS 43 HE1 LYS 43 -18.217 -18.802 -11.405 311 HZ1 LYS 43 HZ1 LYS 43 -19.738 -19.630 -13.044 312 HZ2 LYS 43 HZ2 LYS 43 -20.904 -18.490 -12.611 313 HZ3 LYS 43 HZ3 LYS 43 -20.464 -19.701 -11.521 314 H ASP 44 HN ASP 44 -17.703 -12.117 -7.674 315 HA ASP 44 HA ASP 44 -17.865 -11.151 -10.382 316 HB2 ASP 44 HB2 ASP 44 -17.681 -8.903 -9.407 317 HB3 ASP 44 HB1 ASP 44 -18.858 -9.873 -8.533 318 H CYS 45 HN CYS 45 -16.254 -9.474 -11.158 319 HA CYS 45 HA CYS 45 -13.591 -10.687 -11.195 320 HB2 CYS 45 HB2 CYS 45 -14.732 -10.226 -13.310 321 HB3 CYS 45 HB1 CYS 45 -14.866 -8.525 -12.900 322 H PHE 46 HN PHE 46 -13.962 -9.639 -8.800 323 HA PHE 46 HA PHE 46 -13.031 -8.454 -7.161 324 HB2 PHE 46 HB2 PHE 46 -10.829 -8.106 -9.235 325 HB3 PHE 46 HB1 PHE 46 -10.647 -7.703 -7.528 326 HD1 PHE 46 HD2 PHE 46 -11.482 -10.576 -9.805 327 HD2 PHE 46 HD1 PHE 46 -9.920 -9.372 -6.012 328 HE1 PHE 46 HE2 PHE 46 -10.810 -12.893 -9.337 329 HE2 PHE 46 HE1 PHE 46 -9.257 -11.693 -5.557 330 HZ PHE 46 HZ PHE 46 -9.696 -13.452 -7.219 331 H PHE 47 HN PHE 47 -11.850 -6.403 -9.800 332 HA PHE 47 HA PHE 47 -12.409 -4.010 -8.276 333 HB2 PHE 47 HB2 PHE 47 -11.153 -4.300 -11.038 334 HB3 PHE 47 HB1 PHE 47 -11.060 -2.890 -9.984 335 HD1 PHE 47 HD1 PHE 47 -9.993 -3.340 -7.594 336 HD2 PHE 47 HD2 PHE 47 -9.353 -5.831 -11.015 337 HE1 PHE 47 HE1 PHE 47 -7.934 -4.217 -6.574 338 HE2 PHE 47 HE2 PHE 47 -7.287 -6.696 -9.984 339 HZ PHE 47 HZ PHE 47 -6.579 -5.892 -7.764 340 H CYS 48 HN CYS 48 -13.094 -5.042 -11.650 341 HA CYS 48 HA CYS 48 -15.003 -2.899 -12.041 342 HB2 CYS 48 HB2 CYS 48 -15.013 -3.512 -14.334 343 HB3 CYS 48 HB1 CYS 48 -13.365 -3.852 -13.805 344 H LYS 49 HN LYS 49 -15.236 -6.025 -10.779 345 HA LYS 49 HA LYS 49 -16.917 -7.213 -9.911 346 HB2 LYS 49 HB2 LYS 49 -18.635 -4.796 -10.598 347 HB3 LYS 49 HB1 LYS 49 -19.184 -6.141 -9.604 348 HG2 LYS 49 HG2 LYS 49 -16.881 -4.266 -8.933 349 HG3 LYS 49 HG1 LYS 49 -18.506 -4.206 -8.231 350 HD2 LYS 49 HD2 LYS 49 -18.177 -6.476 -7.296 351 HD3 LYS 49 HD1 LYS 49 -16.560 -6.535 -7.996 352 HE2 LYS 49 HE2 LYS 49 -15.949 -4.552 -6.575 353 HE3 LYS 49 HE1 LYS 49 -17.526 -4.694 -5.789 354 HZ1 LYS 49 HZ1 LYS 49 -15.800 -5.800 -4.524 355 HZ2 LYS 49 HZ2 LYS 49 -15.411 -6.790 -5.842 356 HZ3 LYS 49 HZ3 LYS 49 -16.919 -6.933 -5.090 357 H THR 50 HN THR 50 -16.563 -7.051 -13.078 358 HA THR 50 HA THR 50 -18.971 -7.984 -14.223 359 HB THR 50 HB THR 50 -16.107 -8.628 -15.078 360 HG1 THR 50 HG1 THR 50 -17.815 -6.405 -15.564 361 HG21 THR 50 HG21 THR 50 -17.048 -8.883 -17.360 362 HG22 THR 50 HG22 THR 50 -18.679 -8.640 -16.732 363 HG23 THR 50 HG23 THR 50 -17.752 -10.064 -16.255 364 H THR 51 HN THR 51 -19.908 -10.017 -14.309 365 HA THR 51 HA THR 51 -19.192 -12.083 -12.533 366 HB THR 51 HB THR 51 -20.991 -12.226 -14.990 367 HG1 THR 51 HG1 THR 51 -21.317 -11.296 -12.370 368 HG21 THR 51 HG21 THR 51 -20.358 -14.496 -14.232 369 HG22 THR 51 HG22 THR 51 -22.048 -14.168 -13.862 370 HG23 THR 51 HG23 THR 51 -20.842 -14.089 -12.575 371 H ILE 52 HN ILE 52 -17.576 -13.535 -12.689 372 HA ILE 52 HA ILE 52 -16.012 -13.789 -15.120 373 HB ILE 52 HB ILE 52 -15.694 -15.301 -12.478 374 HG12 ILE 52 HG12 ILE 52 -14.308 -12.725 -13.400 375 HG13 ILE 52 HG11 ILE 52 -15.563 -12.805 -12.168 376 HG21 ILE 52 HG21 ILE 52 -13.355 -15.658 -13.254 377 HG22 ILE 52 HG22 ILE 52 -13.737 -14.861 -14.781 378 HG23 ILE 52 HG23 ILE 52 -14.521 -16.385 -14.358 379 HD11 ILE 52 HD11 ILE 52 -12.823 -14.052 -11.998 380 HD12 ILE 52 HD12 ILE 52 -14.074 -14.131 -10.750 381 HD13 ILE 52 HD13 ILE 52 -13.365 -12.579 -11.197 382 H VAL 53 HN VAL 53 -16.969 -14.926 -16.694 383 HA VAL 53 HA VAL 53 -18.593 -17.271 -16.315 384 HB VAL 53 HB VAL 53 -17.398 -16.054 -18.852 385 HG11 VAL 53 HG11 VAL 53 -19.568 -18.176 -18.630 386 HG12 VAL 53 HG12 VAL 53 -17.936 -18.426 -19.249 387 HG13 VAL 53 HG13 VAL 53 -19.055 -17.379 -20.122 388 HG21 VAL 53 HG21 VAL 53 -20.196 -15.807 -17.678 389 HG22 VAL 53 HG22 VAL 53 -19.662 -15.125 -19.216 390 HG23 VAL 53 HG23 VAL 53 -18.965 -14.542 -17.706 391 H SER 54 HN SER 54 -15.164 -16.672 -17.009 392 HA SER 54 HA SER 54 -14.569 -19.489 -16.501 393 HB2 SER 54 HB2 SER 54 -14.935 -19.369 -18.979 394 HB3 SER 54 HB1 SER 54 -13.664 -18.154 -19.100 395 HG SER 54 HG SER 54 -12.647 -20.014 -19.522 396 H VAL 55 HN VAL 55 -12.748 -19.685 -15.335 397 HA VAL 55 HA VAL 55 -10.762 -17.487 -15.202 398 HB VAL 55 HB VAL 55 -11.079 -19.892 -13.329 399 HG11 VAL 55 HG11 VAL 55 -9.351 -17.411 -13.024 400 HG12 VAL 55 HG12 VAL 55 -8.778 -19.041 -13.379 401 HG13 VAL 55 HG13 VAL 55 -9.530 -18.694 -11.821 402 HG21 VAL 55 HG21 VAL 55 -13.024 -18.389 -13.118 403 HG22 VAL 55 HG22 VAL 55 -11.949 -17.017 -12.839 404 HG23 VAL 55 HG23 VAL 55 -12.021 -18.335 -11.667 405 H GLU 56 HN GLU 56 -9.301 -17.844 -16.798 406 HA GLU 56 HA GLU 56 -8.401 -20.607 -17.383 407 HB2 GLU 56 HB2 GLU 56 -8.532 -18.128 -19.146 408 HB3 GLU 56 HB1 GLU 56 -7.750 -19.633 -19.635 409 HG2 GLU 56 HG2 GLU 56 -9.886 -20.835 -19.433 410 HG3 GLU 56 HG1 GLU 56 -10.679 -19.362 -18.875 411 H ASP 57 HN ASP 57 -6.214 -21.039 -17.612 412 HA ASP 57 HA ASP 57 -4.468 -19.561 -15.892 413 HB2 ASP 57 HB2 ASP 57 -3.870 -21.883 -17.779 414 HB3 ASP 57 HB1 ASP 57 -2.769 -21.272 -16.546 415 H TRP 58 HN TRP 58 -3.751 -17.608 -16.559 416 HA TRP 58 HA TRP 58 -3.026 -17.059 -19.310 417 HB2 TRP 58 HB2 TRP 58 -4.047 -15.275 -17.932 418 HB3 TRP 58 HB1 TRP 58 -2.670 -15.319 -16.830 419 HD1 TRP 58 HD1 TRP 58 -3.395 -14.535 -20.578 420 HE1 TRP 58 HE1 TRP 58 -1.709 -12.772 -21.379 421 HE3 TRP 58 HE3 TRP 58 -0.508 -14.173 -16.363 422 HZ2 TRP 58 HZ2 TRP 58 0.524 -11.398 -20.363 423 HZ3 TRP 58 HZ3 TRP 58 1.394 -12.610 -16.363 424 HH2 TRP 58 HH2 TRP 58 1.904 -11.249 -18.331 425 H GLU 59 HN GLU 59 -1.202 -17.869 -20.067 426 HA GLU 59 HA GLU 59 1.265 -17.882 -18.437 427 HB2 GLU 59 HB2 GLU 59 0.644 -19.374 -21.034 428 HB3 GLU 59 HB1 GLU 59 2.121 -19.520 -20.080 429 HG2 GLU 59 HG2 GLU 59 0.849 -20.494 -18.213 430 HG3 GLU 59 HG1 GLU 59 -0.654 -20.312 -19.117 431 H LYS 60 HN LYS 60 2.628 -16.230 -18.859 432 HA LYS 60 HA LYS 60 2.188 -14.352 -20.969 433 HB2 LYS 60 HB2 LYS 60 3.106 -13.716 -18.738 434 HB3 LYS 60 HB1 LYS 60 4.575 -14.620 -19.086 435 HG2 LYS 60 HG2 LYS 60 5.089 -13.098 -20.958 436 HG3 LYS 60 HG1 LYS 60 3.586 -12.219 -20.667 437 HD2 LYS 60 HD2 LYS 60 4.435 -11.527 -18.435 438 HD3 LYS 60 HD1 LYS 60 5.947 -12.394 -18.748 439 HE2 LYS 60 HE2 LYS 60 6.371 -10.928 -20.702 440 HE3 LYS 60 HE1 LYS 60 4.873 -10.054 -20.372 441 HZ1 LYS 60 HZ1 LYS 60 6.819 -8.899 -19.525 442 HZ2 LYS 60 HZ2 LYS 60 7.204 -10.224 -18.548 443 HZ3 LYS 60 HZ3 LYS 60 5.784 -9.354 -18.267 444 H GLY 61 HN GLY 61 4.683 -16.760 -20.294 445 HA2 GLY 61 HA2 GLY 61 5.457 -18.113 -22.238 446 HA3 GLY 61 HA1 GLY 61 5.681 -16.585 -23.088 Start of MODEL 12 1 H1 SER 1 HT1 SER 1 -2.059 1.407 -3.558 2 H2 SER 1 HT2 SER 1 -1.131 0.725 -4.797 3 H3 SER 1 HT3 SER 1 -1.370 2.400 -4.738 4 HA SER 1 HA SER 1 -0.150 2.575 -2.702 5 HB2 SER 1 HB2 SER 1 0.313 -0.426 -3.013 6 HB3 SER 1 HB1 SER 1 1.036 0.597 -1.772 7 HG SER 1 HG SER 1 -1.039 0.973 -0.951 8 H HIS 2 HN HIS 2 0.941 0.143 -5.094 9 HA HIS 2 HA HIS 2 2.698 -0.070 -6.469 10 HB2 HIS 2 HB2 HIS 2 2.536 2.970 -6.543 11 HB3 HIS 2 HB1 HIS 2 3.602 2.038 -7.582 12 HD2 HIS 2 HD2 HIS 2 -0.274 2.520 -7.034 13 HE1 HIS 2 HE1 HIS 2 0.456 1.064 -10.944 14 HE2 HIS 2 HE2 HIS 2 -1.316 1.829 -9.302 15 H MET 3 HN MET 3 4.094 -1.043 -5.016 16 HA MET 3 HA MET 3 5.994 0.489 -3.452 17 HB2 MET 3 HB2 MET 3 6.080 -2.478 -4.138 18 HB3 MET 3 HB1 MET 3 6.979 -1.673 -2.862 19 HG2 MET 3 HG2 MET 3 4.752 -1.157 -1.766 20 HG3 MET 3 HG1 MET 3 4.007 -2.210 -2.969 21 HE1 MET 3 HE1 MET 3 6.551 -4.412 -3.176 22 HE2 MET 3 HE2 MET 3 4.839 -4.821 -3.281 23 HE3 MET 3 HE3 MET 3 5.868 -5.647 -2.115 24 HA PRO 4 HA PRO 4 8.623 1.007 -7.161 25 HB2 PRO 4 HB2 PRO 4 10.610 2.199 -5.275 26 HB3 PRO 4 HB1 PRO 4 9.840 2.916 -6.698 27 HG2 PRO 4 HG2 PRO 4 9.150 3.692 -4.218 28 HG3 PRO 4 HG1 PRO 4 7.939 3.568 -5.515 29 HD2 PRO 4 HD2 PRO 4 8.532 1.611 -3.283 30 HD3 PRO 4 HD1 PRO 4 6.959 2.205 -3.871 31 H THR 5 HN THR 5 10.368 -0.061 -8.039 32 HA THR 5 HA THR 5 12.013 -1.558 -8.401 33 HB THR 5 HB THR 5 12.654 -1.611 -5.417 34 HG1 THR 5 HG1 THR 5 14.220 0.166 -6.343 35 HG21 THR 5 HG21 THR 5 14.985 -1.929 -6.165 36 HG22 THR 5 HG22 THR 5 14.469 -1.867 -7.850 37 HG23 THR 5 HG23 THR 5 13.951 -3.201 -6.821 38 H SER 6 HN SER 6 9.186 -2.292 -7.229 39 HA SER 6 HA SER 6 9.498 -5.034 -6.373 40 HB2 SER 6 HB2 SER 6 7.033 -3.493 -7.283 41 HB3 SER 6 HB1 SER 6 7.000 -5.147 -6.655 42 HG SER 6 HG SER 6 7.905 -2.824 -5.310 43 H GLU 7 HN GLU 7 8.424 -3.397 -9.341 44 HA GLU 7 HA GLU 7 8.411 -3.922 -11.542 45 HB2 GLU 7 HB2 GLU 7 10.747 -5.716 -10.729 46 HB3 GLU 7 HB1 GLU 7 10.400 -5.187 -12.373 47 HG2 GLU 7 HG2 GLU 7 10.849 -2.866 -11.785 48 HG3 GLU 7 HG1 GLU 7 11.027 -3.289 -10.088 49 H GLU 8 HN GLU 8 8.840 -6.236 -13.035 50 HA GLU 8 HA GLU 8 8.106 -8.279 -13.680 51 HB2 GLU 8 HB2 GLU 8 9.073 -8.952 -11.434 52 HB3 GLU 8 HB1 GLU 8 7.487 -8.750 -10.722 53 HG2 GLU 8 HG2 GLU 8 7.868 -11.089 -11.026 54 HG3 GLU 8 HG1 GLU 8 6.651 -10.596 -12.202 55 H ASP 9 HN ASP 9 5.992 -9.733 -13.675 56 HA ASP 9 HA ASP 9 3.583 -8.096 -13.718 57 HB2 ASP 9 HB2 ASP 9 2.491 -10.129 -14.600 58 HB3 ASP 9 HB1 ASP 9 3.978 -9.799 -15.476 59 H LEU 10 HN LEU 10 4.725 -8.212 -11.116 60 HA LEU 10 HA LEU 10 3.691 -10.187 -9.428 61 HB2 LEU 10 HB2 LEU 10 4.561 -7.349 -8.832 62 HB3 LEU 10 HB1 LEU 10 4.064 -8.474 -7.578 63 HG LEU 10 HG LEU 10 6.460 -8.801 -9.431 64 HD11 LEU 10 HD11 LEU 10 6.344 -8.337 -6.438 65 HD12 LEU 10 HD12 LEU 10 6.840 -7.156 -7.656 66 HD13 LEU 10 HD13 LEU 10 7.809 -8.603 -7.389 67 HD21 LEU 10 HD21 LEU 10 7.013 -10.847 -8.145 68 HD22 LEU 10 HD22 LEU 10 5.477 -11.023 -8.987 69 HD23 LEU 10 HD23 LEU 10 5.495 -10.703 -7.253 70 H CYS 11 HN CYS 11 1.738 -10.615 -8.784 71 HA CYS 11 HA CYS 11 -0.629 -9.617 -9.741 72 HB2 CYS 11 HB2 CYS 11 -0.410 -11.820 -8.631 73 HB3 CYS 11 HB1 CYS 11 -0.096 -11.034 -7.088 74 HA PRO 12 HA PRO 12 -0.393 -5.563 -7.688 75 HB2 PRO 12 HB2 PRO 12 -2.866 -4.547 -8.448 76 HB3 PRO 12 HB1 PRO 12 -1.452 -4.605 -9.505 77 HG2 PRO 12 HG2 PRO 12 -3.762 -6.542 -9.325 78 HG3 PRO 12 HG1 PRO 12 -3.010 -5.832 -10.774 79 HD2 PRO 12 HD2 PRO 12 -2.401 -8.325 -9.996 80 HD3 PRO 12 HD1 PRO 12 -1.138 -7.262 -10.647 81 H ILE 13 HN ILE 13 -2.839 -7.880 -6.967 82 HA ILE 13 HA ILE 13 -3.997 -6.559 -4.679 83 HB ILE 13 HB ILE 13 -4.169 -9.464 -5.607 84 HG12 ILE 13 HG12 ILE 13 -6.160 -7.187 -6.100 85 HG13 ILE 13 HG11 ILE 13 -5.018 -7.784 -7.298 86 HG21 ILE 13 HG21 ILE 13 -5.936 -7.989 -3.610 87 HG22 ILE 13 HG22 ILE 13 -4.786 -9.273 -3.231 88 HG23 ILE 13 HG23 ILE 13 -6.213 -9.630 -4.203 89 HD11 ILE 13 HD11 ILE 13 -7.283 -9.361 -6.073 90 HD12 ILE 13 HD12 ILE 13 -6.152 -9.959 -7.288 91 HD13 ILE 13 HD13 ILE 13 -7.258 -8.643 -7.681 92 H CYS 14 HN CYS 14 -1.519 -9.036 -5.254 93 HA CYS 14 HA CYS 14 -1.289 -9.702 -2.393 94 HB2 CYS 14 HB2 CYS 14 -0.282 -11.098 -4.897 95 HB3 CYS 14 HB1 CYS 14 0.030 -11.668 -3.257 96 H TYR 15 HN TYR 15 0.647 -8.661 -5.121 97 HA TYR 15 HA TYR 15 2.571 -7.627 -5.467 98 HB2 TYR 15 HB2 TYR 15 2.791 -7.301 -2.449 99 HB3 TYR 15 HB1 TYR 15 3.875 -6.560 -3.621 100 HD1 TYR 15 HD2 TYR 15 3.101 -4.635 -5.007 101 HD2 TYR 15 HD1 TYR 15 0.497 -6.431 -2.133 102 HE1 TYR 15 HE2 TYR 15 1.592 -2.694 -5.155 103 HE2 TYR 15 HE1 TYR 15 -1.005 -4.494 -2.283 104 HH TYR 15 HH TYR 15 -0.986 -2.182 -2.925 105 H ALA 16 HN ALA 16 2.774 -10.067 -2.866 106 HA ALA 16 HA ALA 16 5.539 -10.561 -3.045 107 HB1 ALA 16 HB1 ALA 16 5.113 -12.498 -1.616 108 HB2 ALA 16 HB2 ALA 16 3.384 -12.399 -1.971 109 HB3 ALA 16 HB3 ALA 16 4.174 -11.109 -1.068 110 H HIS 17 HN HIS 17 2.824 -12.084 -4.738 111 HA HIS 17 HA HIS 17 4.702 -13.785 -6.285 112 HB2 HIS 17 HB2 HIS 17 1.912 -14.484 -5.276 113 HB3 HIS 17 HB1 HIS 17 2.723 -15.401 -6.539 114 HD1 HIS 17 HD1 HIS 17 1.862 -16.494 -3.677 115 HD2 HIS 17 HD2 HIS 17 5.710 -15.423 -4.837 116 HE1 HIS 17 HE1 HIS 17 3.398 -17.839 -2.223 117 HE2 HIS 17 HE2 HIS 17 5.720 -17.090 -2.856 118 HA PRO 18 HA PRO 18 3.050 -11.695 -9.812 119 HB2 PRO 18 HB2 PRO 18 3.844 -13.252 -11.833 120 HB3 PRO 18 HB1 PRO 18 5.025 -12.538 -10.725 121 HG2 PRO 18 HG2 PRO 18 3.891 -15.331 -10.735 122 HG3 PRO 18 HG1 PRO 18 5.584 -14.814 -10.566 123 HD2 PRO 18 HD2 PRO 18 3.939 -15.446 -8.427 124 HD3 PRO 18 HD1 PRO 18 5.341 -14.364 -8.313 125 H ILE 19 HN ILE 19 1.972 -12.345 -12.126 126 HA ILE 19 HA ILE 19 -0.732 -13.198 -11.488 127 HB ILE 19 HB ILE 19 0.531 -12.208 -14.088 128 HG12 ILE 19 HG12 ILE 19 -1.399 -10.783 -12.187 129 HG13 ILE 19 HG11 ILE 19 0.332 -10.485 -12.265 130 HG21 ILE 19 HG21 ILE 19 -2.420 -12.754 -13.574 131 HG22 ILE 19 HG22 ILE 19 -1.366 -13.679 -14.645 132 HG23 ILE 19 HG23 ILE 19 -1.745 -12.000 -15.020 133 HD11 ILE 19 HD11 ILE 19 0.073 -9.651 -14.567 134 HD12 ILE 19 HD12 ILE 19 -0.909 -8.749 -13.412 135 HD13 ILE 19 HD13 ILE 19 -1.666 -9.942 -14.465 136 H SER 20 HN SER 20 -1.756 -15.022 -12.246 137 HA SER 20 HA SER 20 -0.268 -17.028 -13.795 138 HB2 SER 20 HB2 SER 20 -1.574 -17.623 -11.097 139 HB3 SER 20 HB1 SER 20 -0.723 -18.776 -12.129 140 HG SER 20 HG SER 20 1.080 -17.082 -11.836 141 H ALA 21 HN ALA 21 -2.963 -15.234 -13.692 142 HA ALA 21 HA ALA 21 -4.733 -17.194 -14.926 143 HB1 ALA 21 HB1 ALA 21 -5.174 -17.545 -12.529 144 HB2 ALA 21 HB2 ALA 21 -6.581 -16.848 -13.330 145 HB3 ALA 21 HB3 ALA 21 -5.542 -15.831 -12.326 146 H VAL 22 HN VAL 22 -6.595 -16.295 -15.899 147 HA VAL 22 HA VAL 22 -6.871 -13.362 -15.997 148 HB VAL 22 HB VAL 22 -5.621 -13.993 -18.040 149 HG11 VAL 22 HG11 VAL 22 -7.965 -15.797 -18.775 150 HG12 VAL 22 HG12 VAL 22 -6.352 -16.337 -18.306 151 HG13 VAL 22 HG13 VAL 22 -6.574 -15.429 -19.801 152 HG21 VAL 22 HG21 VAL 22 -8.491 -13.175 -18.633 153 HG22 VAL 22 HG22 VAL 22 -7.125 -12.962 -19.730 154 HG23 VAL 22 HG23 VAL 22 -7.161 -12.098 -18.194 155 H PHE 23 HN PHE 23 -8.991 -12.663 -16.166 156 HA PHE 23 HA PHE 23 -11.031 -14.660 -15.431 157 HB2 PHE 23 HB2 PHE 23 -11.121 -11.630 -15.072 158 HB3 PHE 23 HB1 PHE 23 -12.221 -12.809 -14.362 159 HD1 PHE 23 HD1 PHE 23 -10.205 -14.864 -13.394 160 HD2 PHE 23 HD2 PHE 23 -10.203 -10.595 -13.137 161 HE1 PHE 23 HE1 PHE 23 -8.798 -14.981 -11.385 162 HE2 PHE 23 HE2 PHE 23 -8.796 -10.727 -11.127 163 HZ PHE 23 HZ PHE 23 -8.091 -12.918 -10.251 164 H GLN 24 HN GLN 24 -11.840 -15.363 -17.375 165 HA GLN 24 HA GLN 24 -12.730 -13.676 -19.510 166 HB2 GLN 24 HB2 GLN 24 -12.931 -16.598 -18.859 167 HB3 GLN 24 HB1 GLN 24 -14.139 -15.969 -19.975 168 HG2 GLN 24 HG2 GLN 24 -12.317 -15.125 -21.426 169 HG3 GLN 24 HG1 GLN 24 -11.133 -15.855 -20.334 170 HE21 GLN 24 HE21 GLN 24 -10.387 -17.151 -22.068 171 HE22 GLN 24 HE22 GLN 24 -11.258 -18.545 -22.580 172 HA PRO 25 HA PRO 25 -14.107 -13.380 -20.988 173 HB2 PRO 25 HB2 PRO 25 -16.352 -12.016 -21.975 174 HB3 PRO 25 HB1 PRO 25 -16.124 -13.763 -22.029 175 HG2 PRO 25 HG2 PRO 25 -18.088 -12.338 -20.514 176 HG3 PRO 25 HG1 PRO 25 -17.755 -14.078 -20.476 177 HD2 PRO 25 HD2 PRO 25 -16.792 -11.918 -18.625 178 HD3 PRO 25 HD1 PRO 25 -17.179 -13.620 -18.273 179 H CYS 26 HN CYS 26 -13.744 -11.630 -18.582 180 HA CYS 26 HA CYS 26 -14.109 -8.894 -19.455 181 HB2 CYS 26 HB2 CYS 26 -14.460 -9.336 -17.106 182 HB3 CYS 26 HB1 CYS 26 -12.861 -10.065 -16.943 183 H GLY 27 HN GLY 27 -11.127 -10.452 -18.158 184 HA2 GLY 27 HA2 GLY 27 -9.220 -10.495 -19.852 185 HA3 GLY 27 HA1 GLY 27 -9.524 -8.774 -20.008 186 H HIS 28 HN HIS 28 -10.120 -8.733 -16.981 187 HA HIS 28 HA HIS 28 -7.621 -7.849 -16.069 188 HB2 HIS 28 HB2 HIS 28 -10.174 -8.573 -14.603 189 HB3 HIS 28 HB1 HIS 28 -8.723 -8.192 -13.681 190 HD2 HIS 28 HD2 HIS 28 -7.634 -5.600 -15.194 191 HE1 HIS 28 HE1 HIS 28 -11.511 -4.062 -14.536 192 HE2 HIS 28 HE2 HIS 28 -9.077 -3.481 -14.858 193 H LYS 29 HN LYS 29 -6.086 -8.723 -14.639 194 HA LYS 29 HA LYS 29 -5.911 -11.677 -14.632 195 HB2 LYS 29 HB2 LYS 29 -3.634 -9.799 -15.362 196 HB3 LYS 29 HB1 LYS 29 -3.614 -11.561 -15.413 197 HG2 LYS 29 HG2 LYS 29 -5.315 -11.512 -17.207 198 HG3 LYS 29 HG1 LYS 29 -5.290 -9.748 -17.163 199 HD2 LYS 29 HD2 LYS 29 -2.775 -9.932 -17.689 200 HD3 LYS 29 HD1 LYS 29 -3.091 -11.632 -18.048 201 HE2 LYS 29 HE2 LYS 29 -4.352 -9.245 -19.414 202 HE3 LYS 29 HE1 LYS 29 -3.127 -10.311 -20.095 203 HZ1 LYS 29 HZ1 LYS 29 -5.260 -10.883 -20.945 204 HZ2 LYS 29 HZ2 LYS 29 -5.913 -11.023 -19.396 205 HZ3 LYS 29 HZ3 LYS 29 -4.749 -12.134 -19.929 206 H SER 30 HN SER 30 -4.840 -12.569 -12.929 207 HA SER 30 HA SER 30 -3.017 -11.217 -11.189 208 HB2 SER 30 HB2 SER 30 -4.297 -11.337 -9.092 209 HB3 SER 30 HB1 SER 30 -5.205 -10.363 -10.247 210 HG SER 30 HG SER 30 -6.318 -12.441 -10.719 211 H CYS 31 HN CYS 31 -2.673 -12.901 -9.169 212 HA CYS 31 HA CYS 31 -2.022 -15.467 -10.214 213 HB2 CYS 31 HB2 CYS 31 -1.319 -16.023 -7.992 214 HB3 CYS 31 HB1 CYS 31 -0.968 -14.307 -8.162 215 H LYS 32 HN LYS 32 -3.170 -17.480 -9.966 216 HA LYS 32 HA LYS 32 -5.993 -17.279 -10.080 217 HB2 LYS 32 HB2 LYS 32 -6.041 -19.750 -10.153 218 HB3 LYS 32 HB1 LYS 32 -4.881 -19.066 -11.280 219 HG2 LYS 32 HG2 LYS 32 -3.031 -19.669 -9.786 220 HG3 LYS 32 HG1 LYS 32 -4.177 -20.311 -8.606 221 HD2 LYS 32 HD2 LYS 32 -3.788 -21.393 -11.436 222 HD3 LYS 32 HD1 LYS 32 -3.110 -22.111 -9.974 223 HE2 LYS 32 HE2 LYS 32 -6.080 -21.804 -10.545 224 HE3 LYS 32 HE1 LYS 32 -5.149 -23.287 -10.744 225 HZ1 LYS 32 HZ1 LYS 32 -6.367 -23.231 -8.653 226 HZ2 LYS 32 HZ2 LYS 32 -5.521 -21.849 -8.170 227 HZ3 LYS 32 HZ3 LYS 32 -4.700 -23.311 -8.389 228 H ALA 33 HN ALA 33 -3.814 -17.993 -7.456 229 HA ALA 33 HA ALA 33 -5.440 -19.050 -5.481 230 HB1 ALA 33 HB1 ALA 33 -3.828 -18.108 -3.863 231 HB2 ALA 33 HB2 ALA 33 -3.183 -17.044 -5.114 232 HB3 ALA 33 HB3 ALA 33 -2.999 -18.792 -5.261 233 H CYS 34 HN CYS 34 -5.290 -15.715 -6.611 234 HA CYS 34 HA CYS 34 -6.705 -14.375 -4.586 235 HB2 CYS 34 HB2 CYS 34 -6.058 -13.773 -7.435 236 HB3 CYS 34 HB1 CYS 34 -7.468 -12.937 -6.811 237 H ILE 35 HN ILE 35 -7.960 -15.782 -7.642 238 HA ILE 35 HA ILE 35 -10.681 -15.157 -6.936 239 HB ILE 35 HB ILE 35 -9.850 -15.073 -9.298 240 HG12 ILE 35 HG12 ILE 35 -11.874 -16.023 -10.347 241 HG13 ILE 35 HG11 ILE 35 -12.183 -17.012 -8.925 242 HG21 ILE 35 HG21 ILE 35 -9.600 -17.143 -10.617 243 HG22 ILE 35 HG22 ILE 35 -9.813 -18.106 -9.155 244 HG23 ILE 35 HG23 ILE 35 -8.409 -17.050 -9.317 245 HD11 ILE 35 HD11 ILE 35 -13.643 -15.058 -9.060 246 HD12 ILE 35 HD12 ILE 35 -12.242 -13.990 -8.999 247 HD13 ILE 35 HD13 ILE 35 -12.639 -15.011 -7.613 248 H ASN 36 HN ASN 36 -8.568 -17.899 -6.524 249 HA ASN 36 HA ASN 36 -10.535 -19.890 -6.019 250 HB2 ASN 36 HB2 ASN 36 -7.714 -19.662 -4.893 251 HB3 ASN 36 HB1 ASN 36 -8.725 -21.094 -4.794 252 HD21 ASN 36 HD21 ASN 36 -9.687 -20.597 -7.651 253 HD22 ASN 36 HD22 ASN 36 -8.382 -21.147 -8.628 254 H GLN 37 HN GLN 37 -8.877 -17.537 -3.924 255 HA GLN 37 HA GLN 37 -10.259 -18.168 -1.501 256 HB2 GLN 37 HB2 GLN 37 -8.128 -16.946 -1.453 257 HB3 GLN 37 HB1 GLN 37 -8.821 -15.625 -2.391 258 HG2 GLN 37 HG2 GLN 37 -10.413 -15.212 -0.471 259 HG3 GLN 37 HG1 GLN 37 -9.519 -16.411 0.456 260 HE21 GLN 37 HE21 GLN 37 -9.026 -14.843 2.026 261 HE22 GLN 37 HE22 GLN 37 -7.829 -13.633 1.751 262 H HIS 38 HN HIS 38 -10.848 -15.929 -4.184 263 HA HIS 38 HA HIS 38 -12.830 -14.352 -2.871 264 HB2 HIS 38 HB2 HIS 38 -11.414 -13.461 -4.696 265 HB3 HIS 38 HB1 HIS 38 -12.199 -14.538 -5.844 266 HD2 HIS 38 HD2 HIS 38 -14.451 -13.511 -7.006 267 HE1 HIS 38 HE1 HIS 38 -14.847 -10.145 -4.473 268 HE2 HIS 38 HE2 HIS 38 -15.564 -11.202 -6.657 269 H LEU 39 HN LEU 39 -13.024 -17.211 -4.996 270 HA LEU 39 HA LEU 39 -15.853 -17.041 -5.463 271 HB2 LEU 39 HB2 LEU 39 -13.874 -19.304 -5.836 272 HB3 LEU 39 HB1 LEU 39 -15.580 -19.500 -6.192 273 HG LEU 39 HG LEU 39 -13.666 -17.574 -7.574 274 HD11 LEU 39 HD11 LEU 39 -13.345 -19.875 -8.304 275 HD12 LEU 39 HD12 LEU 39 -14.076 -18.924 -9.590 276 HD13 LEU 39 HD13 LEU 39 -15.068 -20.038 -8.646 277 HD21 LEU 39 HD21 LEU 39 -15.542 -16.995 -9.072 278 HD22 LEU 39 HD22 LEU 39 -15.863 -16.516 -7.410 279 HD23 LEU 39 HD23 LEU 39 -16.635 -17.957 -8.074 280 H MET 40 HN MET 40 -14.070 -17.990 -2.738 281 HA MET 40 HA MET 40 -16.092 -19.627 -1.470 282 HB2 MET 40 HB2 MET 40 -13.778 -18.064 -0.237 283 HB3 MET 40 HB1 MET 40 -14.708 -19.320 0.570 284 HG2 MET 40 HG2 MET 40 -13.803 -21.016 -0.889 285 HG3 MET 40 HG1 MET 40 -13.036 -19.793 -1.909 286 HE1 MET 40 HE1 MET 40 -10.724 -21.012 -1.801 287 HE2 MET 40 HE2 MET 40 -11.365 -22.293 -0.771 288 HE3 MET 40 HE3 MET 40 -9.889 -21.447 -0.308 289 H ASN 41 HN ASN 41 -15.683 -16.301 -2.079 290 HA ASN 41 HA ASN 41 -17.716 -15.451 -0.100 291 HB2 ASN 41 HB2 ASN 41 -15.568 -14.307 0.233 292 HB3 ASN 41 HB1 ASN 41 -15.479 -13.883 -1.474 293 HD21 ASN 41 HD21 ASN 41 -15.344 -11.673 -1.130 294 HD22 ASN 41 HD22 ASN 41 -16.643 -10.716 -0.509 295 H ASN 42 HN ASN 42 -16.581 -14.097 -3.251 296 HA ASN 42 HA ASN 42 -19.363 -14.054 -4.280 297 HB2 ASN 42 HB2 ASN 42 -17.294 -11.815 -4.427 298 HB3 ASN 42 HB1 ASN 42 -18.815 -11.804 -5.306 299 HD21 ASN 42 HD21 ASN 42 -20.420 -12.909 -3.123 300 HD22 ASN 42 HD22 ASN 42 -20.528 -11.677 -1.921 301 H LYS 43 HN LYS 43 -19.265 -13.436 -6.768 302 HA LYS 43 HA LYS 43 -17.270 -15.241 -8.039 303 HB2 LYS 43 HB2 LYS 43 -20.128 -14.604 -8.883 304 HB3 LYS 43 HB1 LYS 43 -19.025 -15.649 -9.777 305 HG2 LYS 43 HG2 LYS 43 -18.966 -17.229 -7.881 306 HG3 LYS 43 HG1 LYS 43 -20.046 -16.175 -6.963 307 HD2 LYS 43 HD2 LYS 43 -21.806 -16.494 -8.675 308 HD3 LYS 43 HD1 LYS 43 -20.732 -17.556 -9.587 309 HE2 LYS 43 HE2 LYS 43 -20.716 -19.157 -7.714 310 HE3 LYS 43 HE1 LYS 43 -21.751 -18.083 -6.770 311 HZ1 LYS 43 HZ1 LYS 43 -23.037 -19.832 -7.774 312 HZ2 LYS 43 HZ2 LYS 43 -22.470 -19.427 -9.317 313 HZ3 LYS 43 HZ3 LYS 43 -23.467 -18.349 -8.474 314 H ASP 44 HN ASP 44 -17.140 -12.246 -7.556 315 HA ASP 44 HA ASP 44 -17.496 -11.117 -10.252 316 HB2 ASP 44 HB2 ASP 44 -16.999 -9.715 -7.593 317 HB3 ASP 44 HB1 ASP 44 -17.395 -8.923 -9.117 318 H CYS 45 HN CYS 45 -15.934 -9.404 -10.915 319 HA CYS 45 HA CYS 45 -13.234 -10.563 -10.914 320 HB2 CYS 45 HB2 CYS 45 -14.420 -10.240 -13.035 321 HB3 CYS 45 HB1 CYS 45 -14.591 -8.527 -12.708 322 H PHE 46 HN PHE 46 -13.835 -9.258 -8.570 323 HA PHE 46 HA PHE 46 -12.996 -7.902 -7.001 324 HB2 PHE 46 HB2 PHE 46 -10.597 -7.805 -8.877 325 HB3 PHE 46 HB1 PHE 46 -10.568 -7.304 -7.191 326 HD1 PHE 46 HD2 PHE 46 -10.944 -10.240 -9.451 327 HD2 PHE 46 HD1 PHE 46 -10.344 -8.939 -5.421 328 HE1 PHE 46 HE2 PHE 46 -10.358 -12.534 -8.790 329 HE2 PHE 46 HE1 PHE 46 -9.759 -11.240 -4.773 330 HZ PHE 46 HZ PHE 46 -9.762 -13.034 -6.458 331 H PHE 47 HN PHE 47 -11.434 -6.203 -9.700 332 HA PHE 47 HA PHE 47 -11.837 -3.644 -8.502 333 HB2 PHE 47 HB2 PHE 47 -10.808 -4.315 -11.298 334 HB3 PHE 47 HB1 PHE 47 -10.601 -2.782 -10.457 335 HD1 PHE 47 HD1 PHE 47 -9.046 -2.625 -8.508 336 HD2 PHE 47 HD2 PHE 47 -9.365 -6.216 -10.809 337 HE1 PHE 47 HE1 PHE 47 -6.926 -3.430 -7.556 338 HE2 PHE 47 HE2 PHE 47 -7.242 -7.013 -9.848 339 HZ PHE 47 HZ PHE 47 -6.021 -5.621 -8.221 340 H CYS 48 HN CYS 48 -12.823 -4.924 -11.697 341 HA CYS 48 HA CYS 48 -14.708 -2.766 -12.142 342 HB2 CYS 48 HB2 CYS 48 -14.984 -3.673 -14.348 343 HB3 CYS 48 HB1 CYS 48 -13.280 -3.883 -13.953 344 H LYS 49 HN LYS 49 -14.847 -5.842 -10.667 345 HA LYS 49 HA LYS 49 -16.434 -7.064 -9.641 346 HB2 LYS 49 HB2 LYS 49 -18.242 -4.642 -10.044 347 HB3 LYS 49 HB1 LYS 49 -18.529 -5.950 -8.900 348 HG2 LYS 49 HG2 LYS 49 -16.605 -5.295 -7.570 349 HG3 LYS 49 HG1 LYS 49 -16.120 -4.099 -8.779 350 HD2 LYS 49 HD2 LYS 49 -18.295 -2.899 -8.371 351 HD3 LYS 49 HD1 LYS 49 -18.625 -4.031 -7.057 352 HE2 LYS 49 HE2 LYS 49 -16.683 -3.230 -5.828 353 HE3 LYS 49 HE1 LYS 49 -16.203 -2.203 -7.181 354 HZ1 LYS 49 HZ1 LYS 49 -18.705 -1.920 -5.614 355 HZ2 LYS 49 HZ2 LYS 49 -18.211 -0.925 -6.887 356 HZ3 LYS 49 HZ3 LYS 49 -17.327 -0.952 -5.450 357 H THR 50 HN THR 50 -16.460 -6.803 -12.781 358 HA THR 50 HA THR 50 -19.006 -7.685 -13.654 359 HB THR 50 HB THR 50 -16.296 -8.348 -14.919 360 HG1 THR 50 HG1 THR 50 -17.818 -6.102 -15.694 361 HG21 THR 50 HG21 THR 50 -17.529 -8.351 -17.050 362 HG22 THR 50 HG22 THR 50 -19.036 -7.986 -16.209 363 HG23 THR 50 HG23 THR 50 -18.231 -9.536 -15.947 364 H THR 51 HN THR 51 -19.968 -9.645 -13.226 365 HA THR 51 HA THR 51 -18.750 -11.669 -11.678 366 HB THR 51 HB THR 51 -21.290 -11.887 -13.352 367 HG1 THR 51 HG1 THR 51 -20.673 -10.608 -10.953 368 HG21 THR 51 HG21 THR 51 -20.366 -13.510 -10.935 369 HG22 THR 51 HG22 THR 51 -20.513 -14.109 -12.590 370 HG23 THR 51 HG23 THR 51 -21.953 -13.626 -11.694 371 H ILE 52 HN ILE 52 -17.378 -13.160 -12.263 372 HA ILE 52 HA ILE 52 -16.376 -13.420 -14.921 373 HB ILE 52 HB ILE 52 -15.685 -15.025 -12.412 374 HG12 ILE 52 HG12 ILE 52 -14.328 -12.504 -13.488 375 HG13 ILE 52 HG11 ILE 52 -15.419 -12.535 -12.107 376 HG21 ILE 52 HG21 ILE 52 -14.860 -16.128 -14.455 377 HG22 ILE 52 HG22 ILE 52 -13.514 -15.472 -13.527 378 HG23 ILE 52 HG23 ILE 52 -14.077 -14.632 -14.972 379 HD11 ILE 52 HD11 ILE 52 -13.096 -12.439 -11.438 380 HD12 ILE 52 HD12 ILE 52 -12.765 -13.950 -12.282 381 HD13 ILE 52 HD13 ILE 52 -13.851 -13.933 -10.889 382 H VAL 53 HN VAL 53 -16.932 -14.884 -16.431 383 HA VAL 53 HA VAL 53 -18.747 -17.079 -15.907 384 HB VAL 53 HB VAL 53 -17.273 -16.217 -18.442 385 HG11 VAL 53 HG11 VAL 53 -17.656 -18.647 -18.574 386 HG12 VAL 53 HG12 VAL 53 -18.720 -17.799 -19.694 387 HG13 VAL 53 HG13 VAL 53 -19.361 -18.423 -18.172 388 HG21 VAL 53 HG21 VAL 53 -19.037 -14.658 -17.708 389 HG22 VAL 53 HG22 VAL 53 -20.207 -15.978 -17.662 390 HG23 VAL 53 HG23 VAL 53 -19.508 -15.473 -19.201 391 H SER 54 HN SER 54 -15.338 -16.772 -17.007 392 HA SER 54 HA SER 54 -14.715 -19.470 -15.971 393 HB2 SER 54 HB2 SER 54 -13.964 -18.475 -18.766 394 HB3 SER 54 HB1 SER 54 -13.534 -20.035 -18.063 395 HG SER 54 HG SER 54 -15.418 -19.997 -19.506 396 H VAL 55 HN VAL 55 -12.624 -19.654 -15.163 397 HA VAL 55 HA VAL 55 -10.744 -17.372 -15.530 398 HB VAL 55 HB VAL 55 -10.781 -19.348 -13.194 399 HG11 VAL 55 HG11 VAL 55 -8.523 -18.518 -13.687 400 HG12 VAL 55 HG12 VAL 55 -9.100 -17.838 -12.166 401 HG13 VAL 55 HG13 VAL 55 -9.097 -16.850 -13.628 402 HG21 VAL 55 HG21 VAL 55 -12.731 -17.856 -13.028 403 HG22 VAL 55 HG22 VAL 55 -11.693 -16.442 -13.215 404 HG23 VAL 55 HG23 VAL 55 -11.547 -17.458 -11.780 405 H GLU 56 HN GLU 56 -9.154 -17.912 -16.910 406 HA GLU 56 HA GLU 56 -8.238 -20.715 -17.148 407 HB2 GLU 56 HB2 GLU 56 -7.593 -18.286 -18.869 408 HB3 GLU 56 HB1 GLU 56 -7.009 -19.920 -19.155 409 HG2 GLU 56 HG2 GLU 56 -9.364 -20.660 -19.505 410 HG3 GLU 56 HG1 GLU 56 -9.887 -18.984 -19.326 411 H ASP 57 HN ASP 57 -5.862 -21.001 -17.420 412 HA ASP 57 HA ASP 57 -4.306 -19.488 -15.442 413 HB2 ASP 57 HB2 ASP 57 -3.584 -22.017 -17.005 414 HB3 ASP 57 HB1 ASP 57 -2.630 -21.306 -15.708 415 H TRP 58 HN TRP 58 -3.562 -17.611 -16.360 416 HA TRP 58 HA TRP 58 -3.118 -17.346 -19.179 417 HB2 TRP 58 HB2 TRP 58 -4.008 -15.455 -17.868 418 HB3 TRP 58 HB1 TRP 58 -2.519 -15.373 -16.932 419 HD1 TRP 58 HD1 TRP 58 -3.350 -15.270 -20.766 420 HE1 TRP 58 HE1 TRP 58 -1.929 -13.410 -21.832 421 HE3 TRP 58 HE3 TRP 58 -0.859 -13.653 -16.609 422 HZ2 TRP 58 HZ2 TRP 58 -0.016 -11.511 -21.026 423 HZ3 TRP 58 HZ3 TRP 58 0.763 -11.812 -16.838 424 HH2 TRP 58 HH2 TRP 58 1.182 -10.771 -19.011 425 H GLU 59 HN GLU 59 -1.432 -18.308 -20.061 426 HA GLU 59 HA GLU 59 1.198 -18.549 -18.954 427 HB2 GLU 59 HB2 GLU 59 0.287 -18.825 -21.860 428 HB3 GLU 59 HB1 GLU 59 1.810 -19.407 -21.189 429 HG2 GLU 59 HG2 GLU 59 0.558 -20.984 -19.741 430 HG3 GLU 59 HG1 GLU 59 -0.955 -20.418 -20.448 431 H LYS 60 HN LYS 60 3.071 -17.448 -19.707 432 HA LYS 60 HA LYS 60 3.059 -15.007 -21.197 433 HB2 LYS 60 HB2 LYS 60 3.561 -13.554 -19.094 434 HB3 LYS 60 HB1 LYS 60 1.892 -13.955 -19.448 435 HG2 LYS 60 HG2 LYS 60 1.632 -14.765 -17.372 436 HG3 LYS 60 HG1 LYS 60 2.824 -16.015 -17.700 437 HD2 LYS 60 HD2 LYS 60 3.508 -13.233 -16.689 438 HD3 LYS 60 HD1 LYS 60 3.247 -14.621 -15.637 439 HE2 LYS 60 HE2 LYS 60 5.130 -15.790 -16.776 440 HE3 LYS 60 HE1 LYS 60 5.428 -14.333 -17.727 441 HZ1 LYS 60 HZ1 LYS 60 5.810 -13.140 -15.651 442 HZ2 LYS 60 HZ2 LYS 60 6.887 -14.425 -15.855 443 HZ3 LYS 60 HZ3 LYS 60 5.591 -14.573 -14.778 444 H GLY 61 HN GLY 61 5.189 -13.730 -20.534 445 HA2 GLY 61 HA2 GLY 61 7.329 -14.705 -19.161 446 HA3 GLY 61 HA1 GLY 61 7.423 -15.562 -20.698 Start of MODEL 13 1 H1 SER 1 HT1 SER 1 0.989 1.129 5.772 2 H2 SER 1 HT2 SER 1 -0.384 1.582 4.896 3 H3 SER 1 HT3 SER 1 -0.319 1.846 6.563 4 HA SER 1 HA SER 1 -0.003 3.885 5.424 5 HB2 SER 1 HB2 SER 1 2.596 2.862 6.648 6 HB3 SER 1 HB1 SER 1 2.096 4.551 6.525 7 HG SER 1 HG SER 1 1.352 2.631 8.338 8 H HIS 2 HN HIS 2 1.860 1.237 4.144 9 HA HIS 2 HA HIS 2 2.651 2.830 1.789 10 HB2 HIS 2 HB2 HIS 2 4.497 0.918 3.306 11 HB3 HIS 2 HB1 HIS 2 4.874 1.640 1.744 12 HD2 HIS 2 HD2 HIS 2 5.054 2.498 5.507 13 HE1 HIS 2 HE1 HIS 2 6.224 5.918 3.313 14 HE2 HIS 2 HE2 HIS 2 6.249 4.793 5.577 15 H MET 3 HN MET 3 2.533 1.713 -0.132 16 HA MET 3 HA MET 3 1.350 -0.994 -0.122 17 HB2 MET 3 HB2 MET 3 0.102 0.728 -1.382 18 HB3 MET 3 HB1 MET 3 1.531 1.119 -2.327 19 HG2 MET 3 HG2 MET 3 1.469 -1.116 -3.360 20 HG3 MET 3 HG1 MET 3 0.053 -1.532 -2.396 21 HE1 MET 3 HE1 MET 3 -2.718 0.746 -3.937 22 HE2 MET 3 HE2 MET 3 -1.777 1.013 -2.470 23 HE3 MET 3 HE3 MET 3 -2.377 -0.601 -2.852 24 HA PRO 4 HA PRO 4 5.373 -2.747 -1.342 25 HB2 PRO 4 HB2 PRO 4 3.677 -4.808 -2.756 26 HB3 PRO 4 HB1 PRO 4 5.007 -5.038 -1.608 27 HG2 PRO 4 HG2 PRO 4 2.476 -5.394 -0.825 28 HG3 PRO 4 HG1 PRO 4 3.647 -4.596 0.252 29 HD2 PRO 4 HD2 PRO 4 1.479 -3.356 -1.455 30 HD3 PRO 4 HD1 PRO 4 1.979 -2.948 0.202 31 H THR 5 HN THR 5 6.275 -1.403 -2.807 32 HA THR 5 HA THR 5 5.108 -0.762 -5.353 33 HB THR 5 HB THR 5 7.265 0.603 -5.617 34 HG1 THR 5 HG1 THR 5 8.558 -0.657 -4.194 35 HG21 THR 5 HG21 THR 5 5.644 1.117 -3.090 36 HG22 THR 5 HG22 THR 5 5.192 1.640 -4.715 37 HG23 THR 5 HG23 THR 5 6.636 2.300 -3.946 38 H SER 6 HN SER 6 5.016 -2.822 -6.335 39 HA SER 6 HA SER 6 7.430 -4.264 -7.058 40 HB2 SER 6 HB2 SER 6 4.524 -4.657 -7.901 41 HB3 SER 6 HB1 SER 6 5.848 -5.773 -8.259 42 HG SER 6 HG SER 6 5.297 -4.986 -5.603 43 H GLU 7 HN GLU 7 8.583 -3.962 -8.856 44 HA GLU 7 HA GLU 7 7.802 -1.853 -10.765 45 HB2 GLU 7 HB2 GLU 7 10.498 -3.192 -10.246 46 HB3 GLU 7 HB1 GLU 7 10.236 -1.791 -11.288 47 HG2 GLU 7 HG2 GLU 7 9.555 -0.438 -9.365 48 HG3 GLU 7 HG1 GLU 7 9.676 -1.840 -8.303 49 H GLU 8 HN GLU 8 6.534 -4.420 -11.020 50 HA GLU 8 HA GLU 8 7.228 -5.189 -13.731 51 HB2 GLU 8 HB2 GLU 8 8.747 -6.572 -12.197 52 HB3 GLU 8 HB1 GLU 8 7.301 -7.296 -11.508 53 HG2 GLU 8 HG2 GLU 8 6.717 -8.183 -13.773 54 HG3 GLU 8 HG1 GLU 8 8.231 -7.527 -14.392 55 H ASP 9 HN ASP 9 5.595 -6.830 -14.544 56 HA ASP 9 HA ASP 9 2.898 -6.179 -13.707 57 HB2 ASP 9 HB2 ASP 9 2.203 -7.511 -15.682 58 HB3 ASP 9 HB1 ASP 9 3.385 -6.279 -16.090 59 H LEU 10 HN LEU 10 3.770 -7.219 -11.560 60 HA LEU 10 HA LEU 10 3.240 -10.047 -11.236 61 HB2 LEU 10 HB2 LEU 10 3.798 -7.795 -9.270 62 HB3 LEU 10 HB1 LEU 10 3.596 -9.474 -8.793 63 HG LEU 10 HG LEU 10 5.777 -8.530 -10.702 64 HD11 LEU 10 HD11 LEU 10 6.060 -9.069 -7.731 65 HD12 LEU 10 HD12 LEU 10 6.180 -7.496 -8.518 66 HD13 LEU 10 HD13 LEU 10 7.382 -8.738 -8.855 67 HD21 LEU 10 HD21 LEU 10 5.468 -11.158 -9.211 68 HD22 LEU 10 HD22 LEU 10 6.800 -10.713 -10.283 69 HD23 LEU 10 HD23 LEU 10 5.178 -10.908 -10.939 70 H CYS 11 HN CYS 11 1.633 -10.595 -9.353 71 HA CYS 11 HA CYS 11 -0.989 -10.051 -10.165 72 HB2 CYS 11 HB2 CYS 11 -0.423 -12.041 -8.825 73 HB3 CYS 11 HB1 CYS 11 -0.029 -11.023 -7.446 74 HA PRO 12 HA PRO 12 -1.041 -5.757 -8.671 75 HB2 PRO 12 HB2 PRO 12 -3.694 -5.173 -9.272 76 HB3 PRO 12 HB1 PRO 12 -2.391 -5.194 -10.467 77 HG2 PRO 12 HG2 PRO 12 -4.379 -7.365 -9.803 78 HG3 PRO 12 HG1 PRO 12 -3.864 -6.770 -11.400 79 HD2 PRO 12 HD2 PRO 12 -2.845 -9.042 -10.384 80 HD3 PRO 12 HD1 PRO 12 -1.818 -7.922 -11.301 81 H ILE 13 HN ILE 13 -3.066 -8.272 -7.439 82 HA ILE 13 HA ILE 13 -4.094 -6.813 -5.156 83 HB ILE 13 HB ILE 13 -4.165 -9.787 -5.834 84 HG12 ILE 13 HG12 ILE 13 -6.339 -7.662 -6.224 85 HG13 ILE 13 HG11 ILE 13 -5.348 -8.334 -7.512 86 HG21 ILE 13 HG21 ILE 13 -5.740 -8.257 -3.713 87 HG22 ILE 13 HG22 ILE 13 -4.478 -9.459 -3.424 88 HG23 ILE 13 HG23 ILE 13 -6.002 -9.948 -4.158 89 HD11 ILE 13 HD11 ILE 13 -7.330 -9.864 -5.833 90 HD12 ILE 13 HD12 ILE 13 -6.351 -10.532 -7.145 91 HD13 ILE 13 HD13 ILE 13 -7.567 -9.300 -7.486 92 H CYS 14 HN CYS 14 -1.613 -9.328 -5.747 93 HA CYS 14 HA CYS 14 -0.981 -9.584 -2.909 94 HB2 CYS 14 HB2 CYS 14 0.049 -11.059 -5.353 95 HB3 CYS 14 HB1 CYS 14 0.612 -11.373 -3.718 96 H TYR 15 HN TYR 15 0.752 -8.817 -5.901 97 HA TYR 15 HA TYR 15 2.507 -7.582 -6.473 98 HB2 TYR 15 HB2 TYR 15 2.514 -6.631 -3.596 99 HB3 TYR 15 HB1 TYR 15 3.692 -6.076 -4.780 100 HD1 TYR 15 HD2 TYR 15 2.567 -5.205 -7.083 101 HD2 TYR 15 HD1 TYR 15 0.623 -5.228 -3.272 102 HE1 TYR 15 HE2 TYR 15 1.058 -3.426 -7.839 103 HE2 TYR 15 HE1 TYR 15 -0.879 -3.447 -4.036 104 HH TYR 15 HH TYR 15 -0.929 -1.670 -5.714 105 H ALA 16 HN ALA 16 2.939 -9.507 -3.532 106 HA ALA 16 HA ALA 16 5.775 -9.833 -3.833 107 HB1 ALA 16 HB1 ALA 16 3.825 -11.313 -2.046 108 HB2 ALA 16 HB2 ALA 16 4.670 -9.825 -1.630 109 HB3 ALA 16 HB3 ALA 16 5.585 -11.312 -1.883 110 H HIS 17 HN HIS 17 3.167 -11.322 -5.391 111 HA HIS 17 HA HIS 17 4.861 -13.491 -6.431 112 HB2 HIS 17 HB2 HIS 17 2.058 -13.894 -5.278 113 HB3 HIS 17 HB1 HIS 17 2.860 -15.078 -6.300 114 HD1 HIS 17 HD1 HIS 17 5.038 -16.218 -5.264 115 HD2 HIS 17 HD2 HIS 17 2.756 -14.014 -2.589 116 HE1 HIS 17 HE1 HIS 17 5.770 -16.956 -2.989 117 HE2 HIS 17 HE2 HIS 17 4.507 -15.477 -1.396 118 HA PRO 18 HA PRO 18 3.278 -12.042 -10.295 119 HB2 PRO 18 HB2 PRO 18 3.606 -14.142 -11.963 120 HB3 PRO 18 HB1 PRO 18 4.986 -13.390 -11.152 121 HG2 PRO 18 HG2 PRO 18 3.463 -15.873 -10.342 122 HG3 PRO 18 HG1 PRO 18 5.221 -15.654 -10.511 123 HD2 PRO 18 HD2 PRO 18 3.962 -15.479 -8.099 124 HD3 PRO 18 HD1 PRO 18 5.402 -14.511 -8.484 125 H ILE 19 HN ILE 19 1.913 -12.826 -12.305 126 HA ILE 19 HA ILE 19 -0.809 -13.442 -11.419 127 HB ILE 19 HB ILE 19 0.279 -12.667 -14.177 128 HG12 ILE 19 HG12 ILE 19 -1.157 -10.916 -12.111 129 HG13 ILE 19 HG11 ILE 19 0.562 -10.852 -12.472 130 HG21 ILE 19 HG21 ILE 19 -1.856 -13.906 -14.350 131 HG22 ILE 19 HG22 ILE 19 -2.056 -12.221 -14.820 132 HG23 ILE 19 HG23 ILE 19 -2.620 -12.763 -13.238 133 HD11 ILE 19 HD11 ILE 19 0.046 -10.091 -14.749 134 HD12 ILE 19 HD12 ILE 19 -0.616 -9.020 -13.514 135 HD13 ILE 19 HD13 ILE 19 -1.677 -10.141 -14.364 136 H SER 20 HN SER 20 -1.962 -15.269 -12.102 137 HA SER 20 HA SER 20 -0.803 -17.226 -13.920 138 HB2 SER 20 HB2 SER 20 -0.969 -19.083 -12.255 139 HB3 SER 20 HB1 SER 20 0.215 -17.866 -11.780 140 HG SER 20 HG SER 20 -1.381 -18.684 -10.159 141 H ALA 21 HN ALA 21 -3.253 -15.436 -13.565 142 HA ALA 21 HA ALA 21 -5.221 -17.303 -14.562 143 HB1 ALA 21 HB1 ALA 21 -5.818 -15.830 -11.960 144 HB2 ALA 21 HB2 ALA 21 -5.564 -17.566 -12.127 145 HB3 ALA 21 HB3 ALA 21 -6.966 -16.810 -12.881 146 H VAL 22 HN VAL 22 -6.568 -16.301 -15.967 147 HA VAL 22 HA VAL 22 -6.850 -13.354 -15.921 148 HB VAL 22 HB VAL 22 -5.704 -14.154 -17.982 149 HG11 VAL 22 HG11 VAL 22 -8.233 -15.740 -18.589 150 HG12 VAL 22 HG12 VAL 22 -6.652 -16.415 -18.188 151 HG13 VAL 22 HG13 VAL 22 -6.869 -15.509 -19.685 152 HG21 VAL 22 HG21 VAL 22 -7.160 -12.992 -19.631 153 HG22 VAL 22 HG22 VAL 22 -7.063 -12.117 -18.106 154 HG23 VAL 22 HG23 VAL 22 -8.508 -13.059 -18.490 155 H PHE 23 HN PHE 23 -8.881 -12.555 -15.888 156 HA PHE 23 HA PHE 23 -11.175 -14.373 -15.548 157 HB2 PHE 23 HB2 PHE 23 -11.062 -11.361 -15.025 158 HB3 PHE 23 HB1 PHE 23 -12.304 -12.488 -14.481 159 HD1 PHE 23 HD1 PHE 23 -10.819 -14.720 -13.339 160 HD2 PHE 23 HD2 PHE 23 -9.967 -10.530 -13.108 161 HE1 PHE 23 HE1 PHE 23 -9.591 -15.076 -11.252 162 HE2 PHE 23 HE2 PHE 23 -8.741 -10.903 -11.015 163 HZ PHE 23 HZ PHE 23 -8.548 -13.176 -10.087 164 H GLN 24 HN GLN 24 -11.506 -14.937 -17.668 165 HA GLN 24 HA GLN 24 -11.725 -12.880 -19.756 166 HB2 GLN 24 HB2 GLN 24 -10.296 -14.916 -20.100 167 HB3 GLN 24 HB1 GLN 24 -11.720 -15.935 -19.944 168 HG2 GLN 24 HG2 GLN 24 -12.588 -15.245 -22.032 169 HG3 GLN 24 HG1 GLN 24 -11.564 -13.816 -22.092 170 HE21 GLN 24 HE21 GLN 24 -10.256 -16.989 -21.270 171 HE22 GLN 24 HE22 GLN 24 -9.390 -17.207 -22.743 172 HA PRO 25 HA PRO 25 -12.820 -12.579 -21.748 173 HB2 PRO 25 HB2 PRO 25 -14.765 -11.384 -23.081 174 HB3 PRO 25 HB1 PRO 25 -14.752 -13.151 -22.963 175 HG2 PRO 25 HG2 PRO 25 -16.384 -11.168 -21.386 176 HG3 PRO 25 HG1 PRO 25 -16.906 -12.689 -22.143 177 HD2 PRO 25 HD2 PRO 25 -16.146 -12.381 -19.442 178 HD3 PRO 25 HD1 PRO 25 -16.261 -13.929 -20.306 179 H CYS 26 HN CYS 26 -13.377 -11.178 -18.939 180 HA CYS 26 HA CYS 26 -13.711 -8.412 -19.550 181 HB2 CYS 26 HB2 CYS 26 -14.173 -9.100 -17.283 182 HB3 CYS 26 HB1 CYS 26 -12.531 -9.718 -17.081 183 H GLY 27 HN GLY 27 -10.726 -10.118 -18.453 184 HA2 GLY 27 HA2 GLY 27 -8.686 -9.765 -19.829 185 HA3 GLY 27 HA1 GLY 27 -9.082 -8.054 -19.851 186 H HIS 28 HN HIS 28 -9.950 -8.179 -16.941 187 HA HIS 28 HA HIS 28 -7.590 -7.535 -15.598 188 HB2 HIS 28 HB2 HIS 28 -10.312 -8.391 -14.586 189 HB3 HIS 28 HB1 HIS 28 -8.991 -8.246 -13.434 190 HD2 HIS 28 HD2 HIS 28 -7.675 -5.442 -14.268 191 HE1 HIS 28 HE1 HIS 28 -11.597 -3.937 -13.872 192 HE2 HIS 28 HE2 HIS 28 -9.158 -3.329 -14.150 193 H LYS 29 HN LYS 29 -6.183 -8.646 -14.275 194 HA LYS 29 HA LYS 29 -6.217 -11.597 -14.344 195 HB2 LYS 29 HB2 LYS 29 -3.908 -9.785 -15.193 196 HB3 LYS 29 HB1 LYS 29 -3.769 -11.520 -14.947 197 HG2 LYS 29 HG2 LYS 29 -5.352 -11.931 -16.772 198 HG3 LYS 29 HG1 LYS 29 -5.534 -10.193 -17.015 199 HD2 LYS 29 HD2 LYS 29 -3.110 -10.046 -17.599 200 HD3 LYS 29 HD1 LYS 29 -2.972 -11.795 -17.396 201 HE2 LYS 29 HE2 LYS 29 -3.202 -11.158 -19.776 202 HE3 LYS 29 HE1 LYS 29 -4.545 -12.167 -19.233 203 HZ1 LYS 29 HZ1 LYS 29 -5.895 -10.178 -19.008 204 HZ2 LYS 29 HZ2 LYS 29 -5.294 -10.313 -20.581 205 HZ3 LYS 29 HZ3 LYS 29 -4.603 -9.213 -19.505 206 H SER 30 HN SER 30 -5.077 -12.592 -12.714 207 HA SER 30 HA SER 30 -3.325 -11.295 -10.863 208 HB2 SER 30 HB2 SER 30 -4.662 -11.601 -8.803 209 HB3 SER 30 HB1 SER 30 -5.558 -10.569 -9.920 210 HG SER 30 HG SER 30 -6.643 -12.565 -10.584 211 H CYS 31 HN CYS 31 -3.118 -13.158 -8.900 212 HA CYS 31 HA CYS 31 -2.429 -15.610 -10.281 213 HB2 CYS 31 HB2 CYS 31 -1.521 -16.365 -8.181 214 HB3 CYS 31 HB1 CYS 31 -1.056 -14.672 -8.372 215 H LYS 32 HN LYS 32 -3.395 -17.667 -9.870 216 HA LYS 32 HA LYS 32 -6.216 -17.691 -9.617 217 HB2 LYS 32 HB2 LYS 32 -6.034 -20.136 -9.801 218 HB3 LYS 32 HB1 LYS 32 -5.051 -19.314 -11.001 219 HG2 LYS 32 HG2 LYS 32 -3.018 -19.764 -9.662 220 HG3 LYS 32 HG1 LYS 32 -4.007 -20.603 -8.459 221 HD2 LYS 32 HD2 LYS 32 -4.695 -22.257 -10.191 222 HD3 LYS 32 HD1 LYS 32 -3.688 -21.424 -11.376 223 HE2 LYS 32 HE2 LYS 32 -1.683 -21.949 -9.998 224 HE3 LYS 32 HE1 LYS 32 -2.708 -22.844 -8.875 225 HZ1 LYS 32 HZ1 LYS 32 -2.399 -23.471 -11.759 226 HZ2 LYS 32 HZ2 LYS 32 -3.279 -24.367 -10.630 227 HZ3 LYS 32 HZ3 LYS 32 -1.595 -24.271 -10.506 228 H ALA 33 HN ALA 33 -3.724 -17.920 -7.223 229 HA ALA 33 HA ALA 33 -5.103 -19.122 -5.092 230 HB1 ALA 33 HB1 ALA 33 -3.489 -17.982 -3.632 231 HB2 ALA 33 HB2 ALA 33 -3.005 -16.931 -4.965 232 HB3 ALA 33 HB3 ALA 33 -2.682 -18.663 -5.047 233 H CYS 34 HN CYS 34 -5.075 -15.755 -6.241 234 HA CYS 34 HA CYS 34 -6.544 -14.513 -4.194 235 HB2 CYS 34 HB2 CYS 34 -5.971 -13.786 -7.060 236 HB3 CYS 34 HB1 CYS 34 -7.240 -12.893 -6.233 237 H ILE 35 HN ILE 35 -7.666 -15.875 -7.282 238 HA ILE 35 HA ILE 35 -10.400 -15.182 -6.791 239 HB ILE 35 HB ILE 35 -9.490 -15.253 -9.080 240 HG12 ILE 35 HG12 ILE 35 -11.393 -16.452 -10.181 241 HG13 ILE 35 HG11 ILE 35 -11.770 -17.262 -8.664 242 HG21 ILE 35 HG21 ILE 35 -9.018 -17.373 -10.230 243 HG22 ILE 35 HG22 ILE 35 -9.307 -18.265 -8.736 244 HG23 ILE 35 HG23 ILE 35 -7.950 -17.143 -8.847 245 HD11 ILE 35 HD11 ILE 35 -11.931 -14.283 -9.160 246 HD12 ILE 35 HD12 ILE 35 -12.346 -15.109 -7.654 247 HD13 ILE 35 HD13 ILE 35 -13.288 -15.409 -9.114 248 H ASN 36 HN ASN 36 -8.446 -18.118 -6.317 249 HA ASN 36 HA ASN 36 -10.539 -19.961 -5.848 250 HB2 ASN 36 HB2 ASN 36 -8.127 -20.592 -6.169 251 HB3 ASN 36 HB1 ASN 36 -7.763 -19.936 -4.576 252 HD21 ASN 36 HD21 ASN 36 -8.423 -21.117 -2.736 253 HD22 ASN 36 HD22 ASN 36 -8.947 -22.760 -2.828 254 H GLN 37 HN GLN 37 -8.718 -17.867 -3.651 255 HA GLN 37 HA GLN 37 -10.030 -18.336 -1.209 256 HB2 GLN 37 HB2 GLN 37 -7.912 -17.116 -1.394 257 HB3 GLN 37 HB1 GLN 37 -8.674 -15.856 -2.355 258 HG2 GLN 37 HG2 GLN 37 -10.090 -15.297 -0.313 259 HG3 GLN 37 HG1 GLN 37 -9.069 -16.411 0.601 260 HE21 GLN 37 HE21 GLN 37 -6.898 -15.818 1.007 261 HE22 GLN 37 HE22 GLN 37 -6.326 -14.202 0.792 262 H HIS 38 HN HIS 38 -10.770 -16.197 -3.898 263 HA HIS 38 HA HIS 38 -12.804 -14.652 -2.618 264 HB2 HIS 38 HB2 HIS 38 -11.327 -13.856 -4.488 265 HB3 HIS 38 HB1 HIS 38 -12.191 -14.923 -5.586 266 HD2 HIS 38 HD2 HIS 38 -14.348 -13.755 -6.765 267 HE1 HIS 38 HE1 HIS 38 -14.637 -10.460 -4.140 268 HE2 HIS 38 HE2 HIS 38 -15.337 -11.398 -6.376 269 H LEU 39 HN LEU 39 -12.801 -17.582 -4.607 270 HA LEU 39 HA LEU 39 -15.573 -17.512 -5.347 271 HB2 LEU 39 HB2 LEU 39 -13.532 -19.756 -5.454 272 HB3 LEU 39 HB1 LEU 39 -15.180 -19.927 -6.041 273 HG LEU 39 HG LEU 39 -13.072 -18.040 -7.165 274 HD11 LEU 39 HD11 LEU 39 -14.297 -20.519 -8.407 275 HD12 LEU 39 HD12 LEU 39 -12.666 -20.390 -7.750 276 HD13 LEU 39 HD13 LEU 39 -13.118 -19.444 -9.164 277 HD21 LEU 39 HD21 LEU 39 -15.284 -16.988 -7.337 278 HD22 LEU 39 HD22 LEU 39 -15.933 -18.434 -8.110 279 HD23 LEU 39 HD23 LEU 39 -14.698 -17.475 -8.927 280 H MET 40 HN MET 40 -14.040 -18.298 -2.453 281 HA MET 40 HA MET 40 -15.985 -20.120 -1.372 282 HB2 MET 40 HB2 MET 40 -14.152 -18.252 0.186 283 HB3 MET 40 HB1 MET 40 -14.883 -19.749 0.752 284 HG2 MET 40 HG2 MET 40 -12.691 -19.478 -1.316 285 HG3 MET 40 HG1 MET 40 -12.533 -20.112 0.326 286 HE1 MET 40 HE1 MET 40 -11.986 -23.262 -1.986 287 HE2 MET 40 HE2 MET 40 -11.284 -22.267 -0.714 288 HE3 MET 40 HE3 MET 40 -11.492 -21.603 -2.334 289 H ASN 41 HN ASN 41 -15.789 -16.710 -1.869 290 HA ASN 41 HA ASN 41 -18.174 -16.133 -0.214 291 HB2 ASN 41 HB2 ASN 41 -16.169 -14.872 0.474 292 HB3 ASN 41 HB1 ASN 41 -15.938 -14.292 -1.172 293 HD21 ASN 41 HD21 ASN 41 -16.112 -12.121 -0.715 294 HD22 ASN 41 HD22 ASN 41 -17.556 -11.372 -0.143 295 H ASN 42 HN ASN 42 -16.653 -14.599 -3.099 296 HA ASN 42 HA ASN 42 -19.296 -14.488 -4.456 297 HB2 ASN 42 HB2 ASN 42 -17.087 -12.379 -4.407 298 HB3 ASN 42 HB1 ASN 42 -18.516 -12.289 -5.430 299 HD21 ASN 42 HD21 ASN 42 -20.308 -13.344 -3.294 300 HD22 ASN 42 HD22 ASN 42 -20.504 -12.031 -2.191 301 H LYS 43 HN LYS 43 -18.719 -13.648 -6.888 302 HA LYS 43 HA LYS 43 -16.578 -15.299 -8.064 303 HB2 LYS 43 HB2 LYS 43 -18.852 -16.474 -8.029 304 HB3 LYS 43 HB1 LYS 43 -19.450 -15.208 -9.089 305 HG2 LYS 43 HG2 LYS 43 -17.757 -15.905 -10.807 306 HG3 LYS 43 HG1 LYS 43 -17.258 -17.215 -9.732 307 HD2 LYS 43 HD2 LYS 43 -18.803 -18.082 -11.420 308 HD3 LYS 43 HD1 LYS 43 -19.558 -18.156 -9.826 309 HE2 LYS 43 HE2 LYS 43 -20.805 -16.071 -10.339 310 HE3 LYS 43 HE1 LYS 43 -20.069 -16.039 -11.942 311 HZ1 LYS 43 HZ1 LYS 43 -21.837 -18.178 -10.896 312 HZ2 LYS 43 HZ2 LYS 43 -21.151 -18.127 -12.442 313 HZ3 LYS 43 HZ3 LYS 43 -22.294 -16.965 -11.985 314 H ASP 44 HN ASP 44 -17.149 -12.329 -7.519 315 HA ASP 44 HA ASP 44 -17.498 -11.211 -10.199 316 HB2 ASP 44 HB2 ASP 44 -17.611 -9.055 -9.172 317 HB3 ASP 44 HB1 ASP 44 -18.556 -10.146 -8.182 318 H CYS 45 HN CYS 45 -15.981 -9.455 -10.876 319 HA CYS 45 HA CYS 45 -13.294 -10.616 -11.027 320 HB2 CYS 45 HB2 CYS 45 -14.559 -10.185 -13.085 321 HB3 CYS 45 HB1 CYS 45 -14.700 -8.483 -12.676 322 H PHE 46 HN PHE 46 -13.979 -9.216 -8.614 323 HA PHE 46 HA PHE 46 -13.026 -7.965 -7.040 324 HB2 PHE 46 HB2 PHE 46 -10.620 -8.044 -8.912 325 HB3 PHE 46 HB1 PHE 46 -10.554 -7.498 -7.243 326 HD1 PHE 46 HD2 PHE 46 -11.120 -10.474 -9.416 327 HD2 PHE 46 HD1 PHE 46 -10.415 -9.094 -5.425 328 HE1 PHE 46 HE2 PHE 46 -10.633 -12.770 -8.699 329 HE2 PHE 46 HE1 PHE 46 -9.929 -11.401 -4.724 330 HZ PHE 46 HZ PHE 46 -10.034 -13.237 -6.361 331 H PHE 47 HN PHE 47 -11.341 -6.372 -9.727 332 HA PHE 47 HA PHE 47 -11.485 -3.825 -8.503 333 HB2 PHE 47 HB2 PHE 47 -10.706 -4.427 -11.389 334 HB3 PHE 47 HB1 PHE 47 -10.205 -3.046 -10.418 335 HD1 PHE 47 HD1 PHE 47 -8.569 -3.407 -8.505 336 HD2 PHE 47 HD2 PHE 47 -9.518 -6.530 -11.282 337 HE1 PHE 47 HE1 PHE 47 -6.570 -4.655 -7.800 338 HE2 PHE 47 HE2 PHE 47 -7.516 -7.762 -10.570 339 HZ PHE 47 HZ PHE 47 -6.042 -6.828 -8.830 340 H CYS 48 HN CYS 48 -12.999 -5.189 -11.443 341 HA CYS 48 HA CYS 48 -14.735 -2.811 -11.736 342 HB2 CYS 48 HB2 CYS 48 -15.117 -3.504 -13.998 343 HB3 CYS 48 HB1 CYS 48 -13.396 -3.755 -13.707 344 H LYS 49 HN LYS 49 -14.855 -5.851 -10.311 345 HA LYS 49 HA LYS 49 -16.373 -7.209 -9.425 346 HB2 LYS 49 HB2 LYS 49 -16.971 -4.990 -8.415 347 HB3 LYS 49 HB1 LYS 49 -18.198 -4.793 -9.657 348 HG2 LYS 49 HG2 LYS 49 -19.357 -6.826 -8.773 349 HG3 LYS 49 HG1 LYS 49 -18.165 -6.908 -7.476 350 HD2 LYS 49 HD2 LYS 49 -19.940 -4.512 -7.993 351 HD3 LYS 49 HD1 LYS 49 -20.343 -5.795 -6.856 352 HE2 LYS 49 HE2 LYS 49 -18.285 -5.270 -5.571 353 HE3 LYS 49 HE1 LYS 49 -17.934 -3.956 -6.696 354 HZ1 LYS 49 HZ1 LYS 49 -19.004 -3.144 -4.706 355 HZ2 LYS 49 HZ2 LYS 49 -20.331 -4.157 -4.963 356 HZ3 LYS 49 HZ3 LYS 49 -20.002 -2.904 -6.044 357 H THR 50 HN THR 50 -16.493 -6.790 -12.577 358 HA THR 50 HA THR 50 -19.067 -7.581 -13.426 359 HB THR 50 HB THR 50 -16.378 -8.138 -14.753 360 HG1 THR 50 HG1 THR 50 -18.194 -5.970 -15.153 361 HG21 THR 50 HG21 THR 50 -17.645 -8.244 -16.881 362 HG22 THR 50 HG22 THR 50 -19.161 -8.038 -16.001 363 HG23 THR 50 HG23 THR 50 -18.199 -9.498 -15.767 364 H THR 51 HN THR 51 -20.074 -9.573 -13.485 365 HA THR 51 HA THR 51 -19.142 -11.771 -11.970 366 HB THR 51 HB THR 51 -21.315 -11.824 -14.121 367 HG1 THR 51 HG1 THR 51 -21.252 -10.820 -11.505 368 HG21 THR 51 HG21 THR 51 -20.664 -14.083 -13.322 369 HG22 THR 51 HG22 THR 51 -22.286 -13.656 -12.763 370 HG23 THR 51 HG23 THR 51 -20.911 -13.571 -11.659 371 H ILE 52 HN ILE 52 -17.497 -13.087 -12.525 372 HA ILE 52 HA ILE 52 -16.274 -13.076 -15.108 373 HB ILE 52 HB ILE 52 -15.711 -15.055 -12.845 374 HG12 ILE 52 HG12 ILE 52 -14.369 -12.331 -13.253 375 HG13 ILE 52 HG11 ILE 52 -15.614 -12.638 -12.047 376 HG21 ILE 52 HG21 ILE 52 -13.433 -15.147 -13.855 377 HG22 ILE 52 HG22 ILE 52 -13.953 -14.049 -15.132 378 HG23 ILE 52 HG23 ILE 52 -14.673 -15.655 -15.002 379 HD11 ILE 52 HD11 ILE 52 -12.922 -13.979 -12.161 380 HD12 ILE 52 HD12 ILE 52 -14.166 -14.233 -10.932 381 HD13 ILE 52 HD13 ILE 52 -13.388 -12.658 -11.092 382 H VAL 53 HN VAL 53 -16.814 -14.307 -16.826 383 HA VAL 53 HA VAL 53 -18.796 -16.370 -16.742 384 HB VAL 53 HB VAL 53 -16.891 -15.591 -19.007 385 HG11 VAL 53 HG11 VAL 53 -19.436 -17.265 -19.134 386 HG12 VAL 53 HG12 VAL 53 -17.791 -17.856 -19.366 387 HG13 VAL 53 HG13 VAL 53 -18.490 -16.729 -20.526 388 HG21 VAL 53 HG21 VAL 53 -18.817 -14.300 -19.904 389 HG22 VAL 53 HG22 VAL 53 -18.322 -13.713 -18.318 390 HG23 VAL 53 HG23 VAL 53 -19.764 -14.717 -18.473 391 H SER 54 HN SER 54 -15.267 -16.370 -17.391 392 HA SER 54 HA SER 54 -15.052 -19.058 -16.222 393 HB2 SER 54 HB2 SER 54 -13.575 -19.761 -18.164 394 HB3 SER 54 HB1 SER 54 -15.271 -19.536 -18.589 395 HG SER 54 HG SER 54 -13.072 -17.854 -19.156 396 H VAL 55 HN VAL 55 -13.350 -19.243 -14.931 397 HA VAL 55 HA VAL 55 -11.200 -17.221 -14.939 398 HB VAL 55 HB VAL 55 -11.732 -19.340 -12.796 399 HG11 VAL 55 HG11 VAL 55 -10.305 -17.886 -11.393 400 HG12 VAL 55 HG12 VAL 55 -10.061 -16.799 -12.760 401 HG13 VAL 55 HG13 VAL 55 -9.450 -18.454 -12.826 402 HG21 VAL 55 HG21 VAL 55 -13.717 -17.879 -12.908 403 HG22 VAL 55 HG22 VAL 55 -12.695 -16.446 -12.772 404 HG23 VAL 55 HG23 VAL 55 -12.807 -17.582 -11.426 405 H GLU 56 HN GLU 56 -9.578 -17.840 -16.209 406 HA GLU 56 HA GLU 56 -8.850 -20.709 -16.465 407 HB2 GLU 56 HB2 GLU 56 -8.696 -18.449 -18.503 408 HB3 GLU 56 HB1 GLU 56 -8.111 -20.090 -18.780 409 HG2 GLU 56 HG2 GLU 56 -10.322 -21.010 -18.715 410 HG3 GLU 56 HG1 GLU 56 -10.997 -19.527 -18.044 411 H ASP 57 HN ASP 57 -6.582 -21.150 -16.864 412 HA ASP 57 HA ASP 57 -4.871 -19.541 -15.170 413 HB2 ASP 57 HB2 ASP 57 -3.175 -21.277 -15.508 414 HB3 ASP 57 HB1 ASP 57 -4.720 -21.999 -15.079 415 H TRP 58 HN TRP 58 -3.548 -17.989 -15.805 416 HA TRP 58 HA TRP 58 -2.811 -17.707 -18.665 417 HB2 TRP 58 HB2 TRP 58 -4.216 -15.823 -17.765 418 HB3 TRP 58 HB1 TRP 58 -2.987 -15.500 -16.546 419 HD1 TRP 58 HD1 TRP 58 -3.473 -15.356 -20.390 420 HE1 TRP 58 HE1 TRP 58 -1.813 -13.651 -21.360 421 HE3 TRP 58 HE3 TRP 58 -0.862 -14.245 -16.142 422 HZ2 TRP 58 HZ2 TRP 58 0.325 -12.050 -20.453 423 HZ3 TRP 58 HZ3 TRP 58 0.974 -12.616 -16.271 424 HH2 TRP 58 HH2 TRP 58 1.566 -11.544 -18.378 425 H GLU 59 HN GLU 59 -0.898 -18.714 -18.775 426 HA GLU 59 HA GLU 59 1.167 -18.786 -16.859 427 HB2 GLU 59 HB2 GLU 59 1.309 -19.014 -19.895 428 HB3 GLU 59 HB1 GLU 59 2.613 -19.449 -18.797 429 HG2 GLU 59 HG2 GLU 59 1.246 -21.222 -17.804 430 HG3 GLU 59 HG1 GLU 59 -0.125 -20.756 -18.810 431 H LYS 60 HN LYS 60 2.639 -17.278 -16.267 432 HA LYS 60 HA LYS 60 2.126 -14.576 -16.888 433 HB2 LYS 60 HB2 LYS 60 2.922 -15.658 -14.683 434 HB3 LYS 60 HB1 LYS 60 4.539 -15.577 -15.348 435 HG2 LYS 60 HG2 LYS 60 2.785 -13.133 -14.999 436 HG3 LYS 60 HG1 LYS 60 3.837 -13.737 -13.724 437 HD2 LYS 60 HD2 LYS 60 5.789 -13.447 -15.290 438 HD3 LYS 60 HD1 LYS 60 4.687 -12.691 -16.444 439 HE2 LYS 60 HE2 LYS 60 4.171 -10.925 -14.784 440 HE3 LYS 60 HE1 LYS 60 5.286 -11.677 -13.639 441 HZ1 LYS 60 HZ1 LYS 60 7.081 -11.290 -15.242 442 HZ2 LYS 60 HZ2 LYS 60 6.344 -9.852 -14.752 443 HZ3 LYS 60 HZ3 LYS 60 5.995 -10.500 -16.272 444 H GLY 61 HN GLY 61 5.106 -16.477 -17.364 445 HA2 GLY 61 HA2 GLY 61 5.716 -15.842 -19.953 446 HA3 GLY 61 HA1 GLY 61 6.346 -14.478 -19.032 Start of MODEL 14 1 H1 SER 1 HT1 SER 1 5.995 -3.997 2.867 2 H2 SER 1 HT2 SER 1 6.616 -4.579 4.325 3 H3 SER 1 HT3 SER 1 4.948 -4.370 4.137 4 HA SER 1 HA SER 1 5.521 -6.677 3.998 5 HB2 SER 1 HB2 SER 1 4.502 -7.142 1.729 6 HB3 SER 1 HB1 SER 1 3.595 -5.966 2.679 7 HG SER 1 HG SER 1 3.819 -5.200 0.591 8 H HIS 2 HN HIS 2 6.722 -8.369 3.076 9 HA HIS 2 HA HIS 2 9.306 -7.689 1.960 10 HB2 HIS 2 HB2 HIS 2 9.877 -10.027 2.246 11 HB3 HIS 2 HB1 HIS 2 9.003 -9.513 3.679 12 HD2 HIS 2 HD2 HIS 2 6.057 -10.259 3.329 13 HE1 HIS 2 HE1 HIS 2 7.300 -13.835 1.458 14 HE2 HIS 2 HE2 HIS 2 5.329 -12.545 2.364 15 H MET 3 HN MET 3 10.148 -8.755 0.008 16 HA MET 3 HA MET 3 8.263 -9.500 -2.086 17 HB2 MET 3 HB2 MET 3 9.224 -7.653 -3.615 18 HB3 MET 3 HB1 MET 3 8.078 -7.134 -2.388 19 HG2 MET 3 HG2 MET 3 9.888 -6.290 -0.995 20 HG3 MET 3 HG1 MET 3 11.090 -6.908 -2.129 21 HE1 MET 3 HE1 MET 3 10.701 -4.537 -5.195 22 HE2 MET 3 HE2 MET 3 10.055 -6.163 -4.990 23 HE3 MET 3 HE3 MET 3 11.686 -5.785 -4.435 24 HA PRO 4 HA PRO 4 12.439 -11.685 -2.075 25 HB2 PRO 4 HB2 PRO 4 10.759 -14.074 -2.717 26 HB3 PRO 4 HB1 PRO 4 11.982 -13.874 -1.454 27 HG2 PRO 4 HG2 PRO 4 9.371 -13.964 -0.831 28 HG3 PRO 4 HG1 PRO 4 10.483 -12.882 0.033 29 HD2 PRO 4 HD2 PRO 4 8.542 -12.214 -2.191 30 HD3 PRO 4 HD1 PRO 4 8.848 -11.347 -0.665 31 H THR 5 HN THR 5 9.744 -12.415 -4.245 32 HA THR 5 HA THR 5 11.517 -12.390 -6.614 33 HB THR 5 HB THR 5 9.700 -13.943 -7.608 34 HG1 THR 5 HG1 THR 5 8.247 -13.424 -5.725 35 HG21 THR 5 HG21 THR 5 11.323 -15.043 -5.277 36 HG22 THR 5 HG22 THR 5 11.916 -14.836 -6.927 37 HG23 THR 5 HG23 THR 5 10.628 -15.995 -6.587 38 H SER 6 HN SER 6 11.218 -10.298 -7.262 39 HA SER 6 HA SER 6 8.519 -9.483 -8.147 40 HB2 SER 6 HB2 SER 6 10.540 -7.693 -6.709 41 HB3 SER 6 HB1 SER 6 9.034 -7.138 -7.447 42 HG SER 6 HG SER 6 8.356 -9.117 -5.880 43 H GLU 7 HN GLU 7 8.741 -9.669 -10.275 44 HA GLU 7 HA GLU 7 11.119 -8.563 -11.668 45 HB2 GLU 7 HB2 GLU 7 9.290 -10.848 -12.552 46 HB3 GLU 7 HB1 GLU 7 10.704 -10.264 -13.428 47 HG2 GLU 7 HG2 GLU 7 12.189 -11.063 -11.682 48 HG3 GLU 7 HG1 GLU 7 10.822 -11.475 -10.647 49 H GLU 8 HN GLU 8 7.942 -9.609 -12.824 50 HA GLU 8 HA GLU 8 6.657 -7.116 -12.943 51 HB2 GLU 8 HB2 GLU 8 6.527 -6.908 -15.482 52 HB3 GLU 8 HB1 GLU 8 8.080 -6.479 -14.777 53 HG2 GLU 8 HG2 GLU 8 8.850 -8.842 -15.390 54 HG3 GLU 8 HG1 GLU 8 7.366 -8.974 -16.335 55 H ASP 9 HN ASP 9 4.638 -7.385 -14.527 56 HA ASP 9 HA ASP 9 2.564 -8.312 -14.616 57 HB2 ASP 9 HB2 ASP 9 4.021 -10.979 -14.938 58 HB3 ASP 9 HB1 ASP 9 2.348 -10.656 -15.396 59 H LEU 10 HN LEU 10 3.623 -7.843 -12.080 60 HA LEU 10 HA LEU 10 3.291 -10.084 -10.303 61 HB2 LEU 10 HB2 LEU 10 3.555 -7.115 -9.699 62 HB3 LEU 10 HB1 LEU 10 3.641 -8.402 -8.504 63 HG LEU 10 HG LEU 10 5.630 -7.958 -10.776 64 HD11 LEU 10 HD11 LEU 10 7.234 -7.363 -9.004 65 HD12 LEU 10 HD12 LEU 10 5.962 -7.527 -7.791 66 HD13 LEU 10 HD13 LEU 10 5.853 -6.266 -9.019 67 HD21 LEU 10 HD21 LEU 10 5.688 -10.067 -8.572 68 HD22 LEU 10 HD22 LEU 10 6.989 -9.756 -9.725 69 HD23 LEU 10 HD23 LEU 10 5.438 -10.369 -10.295 70 H CYS 11 HN CYS 11 1.571 -10.586 -9.020 71 HA CYS 11 HA CYS 11 -1.057 -9.957 -9.756 72 HB2 CYS 11 HB2 CYS 11 -0.445 -12.001 -8.466 73 HB3 CYS 11 HB1 CYS 11 -0.064 -11.005 -7.063 74 HA PRO 12 HA PRO 12 -1.022 -5.688 -8.175 75 HB2 PRO 12 HB2 PRO 12 -3.774 -5.192 -8.435 76 HB3 PRO 12 HB1 PRO 12 -2.596 -5.071 -9.750 77 HG2 PRO 12 HG2 PRO 12 -4.405 -7.379 -9.032 78 HG3 PRO 12 HG1 PRO 12 -4.066 -6.684 -10.633 79 HD2 PRO 12 HD2 PRO 12 -2.876 -8.945 -9.865 80 HD3 PRO 12 HD1 PRO 12 -1.947 -7.725 -10.764 81 H ILE 13 HN ILE 13 -2.878 -8.230 -6.732 82 HA ILE 13 HA ILE 13 -3.631 -6.744 -4.339 83 HB ILE 13 HB ILE 13 -3.998 -9.684 -5.053 84 HG12 ILE 13 HG12 ILE 13 -5.973 -7.353 -5.245 85 HG13 ILE 13 HG11 ILE 13 -5.222 -8.165 -6.613 86 HG21 ILE 13 HG21 ILE 13 -5.267 -8.086 -2.788 87 HG22 ILE 13 HG22 ILE 13 -4.068 -9.370 -2.610 88 HG23 ILE 13 HG23 ILE 13 -5.682 -9.745 -3.217 89 HD11 ILE 13 HD11 ILE 13 -6.441 -10.230 -6.004 90 HD12 ILE 13 HD12 ILE 13 -7.512 -8.872 -6.347 91 HD13 ILE 13 HD13 ILE 13 -7.213 -9.353 -4.679 92 H CYS 14 HN CYS 14 -1.289 -9.283 -5.280 93 HA CYS 14 HA CYS 14 -0.449 -9.714 -2.489 94 HB2 CYS 14 HB2 CYS 14 0.202 -11.292 -5.009 95 HB3 CYS 14 HB1 CYS 14 0.743 -11.704 -3.377 96 H TYR 15 HN TYR 15 0.999 -9.265 -5.685 97 HA TYR 15 HA TYR 15 2.597 -7.970 -6.543 98 HB2 TYR 15 HB2 TYR 15 1.944 -6.296 -4.695 99 HB3 TYR 15 HB1 TYR 15 3.341 -6.884 -3.806 100 HD1 TYR 15 HD1 TYR 15 2.286 -5.248 -6.978 101 HD2 TYR 15 HD2 TYR 15 5.556 -6.031 -4.335 102 HE1 TYR 15 HE1 TYR 15 3.666 -3.651 -8.214 103 HE2 TYR 15 HE2 TYR 15 6.943 -4.425 -5.580 104 HH TYR 15 HH TYR 15 7.017 -3.419 -7.832 105 H ALA 16 HN ALA 16 3.514 -9.655 -3.574 106 HA ALA 16 HA ALA 16 6.293 -9.952 -4.147 107 HB1 ALA 16 HB1 ALA 16 6.277 -11.562 -2.273 108 HB2 ALA 16 HB2 ALA 16 4.507 -11.549 -2.283 109 HB3 ALA 16 HB3 ALA 16 5.400 -10.086 -1.860 110 H HIS 17 HN HIS 17 3.524 -11.535 -5.400 111 HA HIS 17 HA HIS 17 5.155 -13.601 -6.743 112 HB2 HIS 17 HB2 HIS 17 2.363 -13.998 -5.561 113 HB3 HIS 17 HB1 HIS 17 3.199 -15.177 -6.561 114 HD1 HIS 17 HD1 HIS 17 2.240 -15.068 -3.331 115 HD2 HIS 17 HD2 HIS 17 6.038 -15.372 -4.985 116 HE1 HIS 17 HE1 HIS 17 3.670 -16.101 -1.553 117 HE2 HIS 17 HE2 HIS 17 5.982 -16.113 -2.516 118 HA PRO 18 HA PRO 18 3.293 -11.820 -10.368 119 HB2 PRO 18 HB2 PRO 18 3.591 -13.737 -12.229 120 HB3 PRO 18 HB1 PRO 18 5.006 -13.037 -11.423 121 HG2 PRO 18 HG2 PRO 18 3.553 -15.615 -10.787 122 HG3 PRO 18 HG1 PRO 18 5.299 -15.351 -11.008 123 HD2 PRO 18 HD2 PRO 18 4.125 -15.421 -8.538 124 HD3 PRO 18 HD1 PRO 18 5.558 -14.428 -8.886 125 H ILE 19 HN ILE 19 1.885 -12.688 -12.396 126 HA ILE 19 HA ILE 19 -0.761 -13.507 -11.400 127 HB ILE 19 HB ILE 19 0.210 -12.247 -14.000 128 HG12 ILE 19 HG12 ILE 19 -1.742 -11.149 -11.917 129 HG13 ILE 19 HG11 ILE 19 -0.030 -10.745 -11.967 130 HG21 ILE 19 HG21 ILE 19 -2.636 -13.113 -13.385 131 HG22 ILE 19 HG22 ILE 19 -1.570 -13.830 -14.594 132 HG23 ILE 19 HG23 ILE 19 -2.127 -12.171 -14.789 133 HD11 ILE 19 HD11 ILE 19 -2.058 -10.115 -14.113 134 HD12 ILE 19 HD12 ILE 19 -0.344 -9.689 -14.152 135 HD13 ILE 19 HD13 ILE 19 -1.403 -8.989 -12.928 136 H SER 20 HN SER 20 -1.817 -15.326 -12.227 137 HA SER 20 HA SER 20 -0.501 -17.021 -14.240 138 HB2 SER 20 HB2 SER 20 0.228 -17.839 -11.994 139 HB3 SER 20 HB1 SER 20 -1.459 -18.075 -11.545 140 HG SER 20 HG SER 20 -0.525 -19.309 -13.889 141 H ALA 21 HN ALA 21 -3.369 -15.667 -12.938 142 HA ALA 21 HA ALA 21 -5.092 -17.419 -14.582 143 HB1 ALA 21 HB1 ALA 21 -6.813 -17.383 -12.813 144 HB2 ALA 21 HB2 ALA 21 -5.740 -16.455 -11.761 145 HB3 ALA 21 HB3 ALA 21 -5.316 -18.105 -12.217 146 H VAL 22 HN VAL 22 -6.506 -16.338 -15.851 147 HA VAL 22 HA VAL 22 -6.984 -13.458 -15.418 148 HB VAL 22 HB VAL 22 -5.711 -13.826 -17.487 149 HG11 VAL 22 HG11 VAL 22 -7.993 -15.591 -18.445 150 HG12 VAL 22 HG12 VAL 22 -6.373 -16.139 -18.016 151 HG13 VAL 22 HG13 VAL 22 -6.603 -15.085 -19.412 152 HG21 VAL 22 HG21 VAL 22 -7.177 -12.636 -19.090 153 HG22 VAL 22 HG22 VAL 22 -7.321 -11.963 -17.465 154 HG23 VAL 22 HG23 VAL 22 -8.583 -13.023 -18.094 155 H PHE 23 HN PHE 23 -9.014 -12.754 -15.401 156 HA PHE 23 HA PHE 23 -11.258 -14.575 -15.255 157 HB2 PHE 23 HB2 PHE 23 -11.355 -11.530 -15.032 158 HB3 PHE 23 HB1 PHE 23 -12.492 -12.701 -14.370 159 HD1 PHE 23 HD1 PHE 23 -10.778 -14.638 -12.984 160 HD2 PHE 23 HD2 PHE 23 -10.409 -10.380 -13.198 161 HE1 PHE 23 HE1 PHE 23 -9.532 -14.630 -10.870 162 HE2 PHE 23 HE2 PHE 23 -9.175 -10.391 -11.076 163 HZ PHE 23 HZ PHE 23 -8.730 -12.514 -9.916 164 H GLN 24 HN GLN 24 -11.468 -15.310 -17.327 165 HA GLN 24 HA GLN 24 -11.595 -13.583 -19.652 166 HB2 GLN 24 HB2 GLN 24 -10.458 -15.789 -19.707 167 HB3 GLN 24 HB1 GLN 24 -11.969 -16.595 -19.301 168 HG2 GLN 24 HG2 GLN 24 -12.927 -16.008 -21.436 169 HG3 GLN 24 HG1 GLN 24 -11.544 -14.996 -21.843 170 HE21 GLN 24 HE21 GLN 24 -9.639 -15.966 -22.503 171 HE22 GLN 24 HE22 GLN 24 -9.541 -17.626 -22.959 172 HA PRO 25 HA PRO 25 -12.495 -13.224 -21.533 173 HB2 PRO 25 HB2 PRO 25 -14.250 -12.197 -23.230 174 HB3 PRO 25 HB1 PRO 25 -14.287 -13.937 -22.900 175 HG2 PRO 25 HG2 PRO 25 -16.098 -11.767 -21.845 176 HG3 PRO 25 HG1 PRO 25 -16.513 -13.415 -22.368 177 HD2 PRO 25 HD2 PRO 25 -15.999 -12.554 -19.691 178 HD3 PRO 25 HD1 PRO 25 -16.176 -14.232 -20.242 179 H CYS 26 HN CYS 26 -13.070 -11.630 -19.000 180 HA CYS 26 HA CYS 26 -13.592 -8.921 -19.806 181 HB2 CYS 26 HB2 CYS 26 -14.166 -9.691 -17.530 182 HB3 CYS 26 HB1 CYS 26 -12.452 -9.891 -17.157 183 H GLY 27 HN GLY 27 -10.631 -10.761 -19.052 184 HA2 GLY 27 HA2 GLY 27 -8.455 -10.302 -19.745 185 HA3 GLY 27 HA1 GLY 27 -8.985 -8.758 -20.390 186 H HIS 28 HN HIS 28 -9.839 -9.470 -17.105 187 HA HIS 28 HA HIS 28 -7.544 -7.927 -16.014 188 HB2 HIS 28 HB2 HIS 28 -10.305 -8.517 -14.886 189 HB3 HIS 28 HB1 HIS 28 -8.981 -8.010 -13.839 190 HD2 HIS 28 HD2 HIS 28 -7.789 -5.659 -15.844 191 HE1 HIS 28 HE1 HIS 28 -11.596 -3.990 -15.139 192 HE2 HIS 28 HE2 HIS 28 -9.175 -3.492 -15.637 193 H LYS 29 HN LYS 29 -6.380 -8.859 -14.228 194 HA LYS 29 HA LYS 29 -6.529 -11.800 -14.087 195 HB2 LYS 29 HB2 LYS 29 -3.931 -10.265 -14.515 196 HB3 LYS 29 HB1 LYS 29 -4.118 -12.003 -14.391 197 HG2 LYS 29 HG2 LYS 29 -3.901 -11.835 -16.667 198 HG3 LYS 29 HG1 LYS 29 -5.651 -11.650 -16.545 199 HD2 LYS 29 HD2 LYS 29 -5.323 -9.157 -16.565 200 HD3 LYS 29 HD1 LYS 29 -3.600 -9.435 -16.840 201 HE2 LYS 29 HE2 LYS 29 -4.105 -10.537 -18.974 202 HE3 LYS 29 HE1 LYS 29 -5.836 -10.343 -18.686 203 HZ1 LYS 29 HZ1 LYS 29 -3.878 -8.143 -19.018 204 HZ2 LYS 29 HZ2 LYS 29 -5.530 -7.950 -18.728 205 HZ3 LYS 29 HZ3 LYS 29 -5.002 -8.650 -20.174 206 H SER 30 HN SER 30 -5.123 -12.715 -12.455 207 HA SER 30 HA SER 30 -3.735 -11.243 -10.469 208 HB2 SER 30 HB2 SER 30 -5.096 -11.762 -8.492 209 HB3 SER 30 HB1 SER 30 -6.130 -10.917 -9.640 210 HG SER 30 HG SER 30 -6.820 -13.067 -10.321 211 H CYS 31 HN CYS 31 -3.484 -13.193 -8.510 212 HA CYS 31 HA CYS 31 -2.599 -15.609 -9.915 213 HB2 CYS 31 HB2 CYS 31 -1.572 -16.262 -7.831 214 HB3 CYS 31 HB1 CYS 31 -1.215 -14.557 -8.070 215 H LYS 32 HN LYS 32 -3.387 -17.730 -9.248 216 HA LYS 32 HA LYS 32 -6.189 -17.923 -9.297 217 HB2 LYS 32 HB2 LYS 32 -4.397 -19.607 -10.090 218 HB3 LYS 32 HB1 LYS 32 -4.326 -20.174 -8.433 219 HG2 LYS 32 HG2 LYS 32 -6.891 -20.180 -10.067 220 HG3 LYS 32 HG1 LYS 32 -5.752 -21.522 -10.098 221 HD2 LYS 32 HD2 LYS 32 -7.283 -20.518 -7.663 222 HD3 LYS 32 HD1 LYS 32 -7.637 -21.982 -8.581 223 HE2 LYS 32 HE2 LYS 32 -5.442 -22.925 -7.902 224 HE3 LYS 32 HE1 LYS 32 -5.100 -21.456 -6.984 225 HZ1 LYS 32 HZ1 LYS 32 -7.344 -23.317 -6.468 226 HZ2 LYS 32 HZ2 LYS 32 -6.962 -21.936 -5.567 227 HZ3 LYS 32 HZ3 LYS 32 -5.901 -23.249 -5.591 228 H ALA 33 HN ALA 33 -3.911 -18.060 -6.607 229 HA ALA 33 HA ALA 33 -5.474 -18.980 -4.506 230 HB1 ALA 33 HB1 ALA 33 -3.325 -16.832 -4.391 231 HB2 ALA 33 HB2 ALA 33 -3.053 -18.576 -4.340 232 HB3 ALA 33 HB3 ALA 33 -3.914 -17.780 -3.023 233 H CYS 34 HN CYS 34 -5.289 -15.683 -5.807 234 HA CYS 34 HA CYS 34 -6.863 -14.334 -3.898 235 HB2 CYS 34 HB2 CYS 34 -6.029 -13.695 -6.725 236 HB3 CYS 34 HB1 CYS 34 -7.283 -12.717 -5.972 237 H ILE 35 HN ILE 35 -7.816 -15.692 -7.110 238 HA ILE 35 HA ILE 35 -10.556 -14.931 -6.797 239 HB ILE 35 HB ILE 35 -9.564 -15.151 -9.055 240 HG12 ILE 35 HG12 ILE 35 -11.479 -16.310 -10.175 241 HG13 ILE 35 HG11 ILE 35 -11.941 -17.033 -8.638 242 HG21 ILE 35 HG21 ILE 35 -9.194 -17.351 -10.118 243 HG22 ILE 35 HG22 ILE 35 -9.521 -18.150 -8.578 244 HG23 ILE 35 HG23 ILE 35 -8.116 -17.098 -8.743 245 HD11 ILE 35 HD11 ILE 35 -13.359 -15.154 -9.219 246 HD12 ILE 35 HD12 ILE 35 -11.961 -14.084 -9.286 247 HD13 ILE 35 HD13 ILE 35 -12.449 -14.808 -7.750 248 H ASN 36 HN ASN 36 -8.735 -17.849 -6.084 249 HA ASN 36 HA ASN 36 -10.786 -19.707 -5.621 250 HB2 ASN 36 HB2 ASN 36 -8.385 -20.299 -5.706 251 HB3 ASN 36 HB1 ASN 36 -8.092 -19.420 -4.215 252 HD21 ASN 36 HD21 ASN 36 -8.959 -20.293 -2.238 253 HD22 ASN 36 HD22 ASN 36 -9.307 -21.981 -2.104 254 H GLN 37 HN GLN 37 -9.181 -17.459 -3.397 255 HA GLN 37 HA GLN 37 -10.688 -17.916 -1.067 256 HB2 GLN 37 HB2 GLN 37 -8.543 -16.727 -1.028 257 HB3 GLN 37 HB1 GLN 37 -9.203 -15.443 -2.034 258 HG2 GLN 37 HG2 GLN 37 -10.830 -14.938 -0.141 259 HG3 GLN 37 HG1 GLN 37 -9.904 -16.063 0.852 260 HE21 GLN 37 HE21 GLN 37 -9.846 -13.011 -0.843 261 HE22 GLN 37 HE22 GLN 37 -8.463 -12.362 -0.039 262 H HIS 38 HN HIS 38 -11.111 -15.654 -3.760 263 HA HIS 38 HA HIS 38 -13.237 -14.109 -2.727 264 HB2 HIS 38 HB2 HIS 38 -11.811 -13.395 -4.630 265 HB3 HIS 38 HB1 HIS 38 -12.512 -14.651 -5.642 266 HD2 HIS 38 HD2 HIS 38 -15.098 -14.118 -6.597 267 HE1 HIS 38 HE1 HIS 38 -15.202 -10.134 -5.191 268 HE2 HIS 38 HE2 HIS 38 -16.457 -11.918 -6.463 269 H LEU 39 HN LEU 39 -13.168 -17.118 -4.583 270 HA LEU 39 HA LEU 39 -15.939 -17.198 -5.245 271 HB2 LEU 39 HB2 LEU 39 -13.784 -19.324 -5.294 272 HB3 LEU 39 HB1 LEU 39 -15.427 -19.619 -5.850 273 HG LEU 39 HG LEU 39 -13.569 -17.510 -7.041 274 HD11 LEU 39 HD11 LEU 39 -14.266 -20.234 -8.163 275 HD12 LEU 39 HD12 LEU 39 -12.704 -19.749 -7.504 276 HD13 LEU 39 HD13 LEU 39 -13.311 -18.988 -8.972 277 HD21 LEU 39 HD21 LEU 39 -15.227 -17.353 -8.861 278 HD22 LEU 39 HD22 LEU 39 -15.937 -16.918 -7.308 279 HD23 LEU 39 HD23 LEU 39 -16.275 -18.498 -8.015 280 H MET 40 HN MET 40 -14.304 -17.830 -2.323 281 HA MET 40 HA MET 40 -16.237 -19.645 -1.163 282 HB2 MET 40 HB2 MET 40 -14.273 -17.792 0.255 283 HB3 MET 40 HB1 MET 40 -15.128 -19.149 0.980 284 HG2 MET 40 HG2 MET 40 -13.898 -20.657 -0.635 285 HG3 MET 40 HG1 MET 40 -12.928 -19.254 -1.093 286 HE1 MET 40 HE1 MET 40 -11.467 -17.858 0.796 287 HE2 MET 40 HE2 MET 40 -11.255 -18.433 2.451 288 HE3 MET 40 HE3 MET 40 -12.824 -17.829 1.922 289 H ASN 41 HN ASN 41 -16.311 -16.344 -1.953 290 HA ASN 41 HA ASN 41 -18.407 -15.649 0.036 291 HB2 ASN 41 HB2 ASN 41 -16.385 -13.714 -1.217 292 HB3 ASN 41 HB1 ASN 41 -17.566 -13.337 0.036 293 HD21 ASN 41 HD21 ASN 41 -14.530 -14.941 -0.658 294 HD22 ASN 41 HD22 ASN 41 -14.007 -15.084 0.981 295 H ASN 42 HN ASN 42 -17.101 -14.412 -3.062 296 HA ASN 42 HA ASN 42 -19.814 -14.169 -4.225 297 HB2 ASN 42 HB2 ASN 42 -17.514 -12.172 -4.562 298 HB3 ASN 42 HB1 ASN 42 -19.116 -12.045 -5.286 299 HD21 ASN 42 HD21 ASN 42 -17.255 -11.700 -2.367 300 HD22 ASN 42 HD22 ASN 42 -18.462 -10.875 -1.447 301 H LYS 43 HN LYS 43 -19.285 -13.525 -6.783 302 HA LYS 43 HA LYS 43 -17.158 -15.288 -7.853 303 HB2 LYS 43 HB2 LYS 43 -20.016 -15.274 -8.933 304 HB3 LYS 43 HB1 LYS 43 -18.679 -16.267 -9.511 305 HG2 LYS 43 HG2 LYS 43 -18.673 -17.480 -7.350 306 HG3 LYS 43 HG1 LYS 43 -20.014 -16.479 -6.795 307 HD2 LYS 43 HD2 LYS 43 -20.943 -18.575 -7.524 308 HD3 LYS 43 HD1 LYS 43 -21.388 -17.357 -8.719 309 HE2 LYS 43 HE2 LYS 43 -20.708 -19.434 -9.826 310 HE3 LYS 43 HE1 LYS 43 -19.557 -18.151 -10.192 311 HZ1 LYS 43 HZ1 LYS 43 -18.517 -20.295 -9.648 312 HZ2 LYS 43 HZ2 LYS 43 -19.164 -20.209 -8.092 313 HZ3 LYS 43 HZ3 LYS 43 -18.035 -19.059 -8.601 314 H ASP 44 HN ASP 44 -16.192 -13.053 -8.060 315 HA ASP 44 HA ASP 44 -17.159 -11.551 -10.407 316 HB2 ASP 44 HB2 ASP 44 -16.724 -10.260 -7.675 317 HB3 ASP 44 HB1 ASP 44 -17.063 -9.383 -9.169 318 H CYS 45 HN CYS 45 -15.705 -9.721 -10.945 319 HA CYS 45 HA CYS 45 -13.021 -10.812 -11.315 320 HB2 CYS 45 HB2 CYS 45 -14.459 -10.112 -13.214 321 HB3 CYS 45 HB1 CYS 45 -14.455 -8.471 -12.610 322 H PHE 46 HN PHE 46 -13.846 -9.421 -8.765 323 HA PHE 46 HA PHE 46 -13.083 -8.037 -7.179 324 HB2 PHE 46 HB2 PHE 46 -10.530 -8.172 -8.828 325 HB3 PHE 46 HB1 PHE 46 -10.617 -7.393 -7.256 326 HD1 PHE 46 HD2 PHE 46 -10.709 -10.646 -9.022 327 HD2 PHE 46 HD1 PHE 46 -10.693 -8.693 -5.216 328 HE1 PHE 46 HE2 PHE 46 -10.173 -12.777 -7.923 329 HE2 PHE 46 HE1 PHE 46 -10.159 -10.829 -4.131 330 HZ PHE 46 HZ PHE 46 -9.895 -12.866 -5.480 331 H PHE 47 HN PHE 47 -11.270 -6.549 -9.833 332 HA PHE 47 HA PHE 47 -11.380 -3.994 -8.601 333 HB2 PHE 47 HB2 PHE 47 -10.397 -4.594 -11.426 334 HB3 PHE 47 HB1 PHE 47 -9.847 -3.309 -10.350 335 HD1 PHE 47 HD1 PHE 47 -8.631 -4.017 -8.180 336 HD2 PHE 47 HD2 PHE 47 -9.275 -6.696 -11.452 337 HE1 PHE 47 HE1 PHE 47 -6.887 -5.517 -7.306 338 HE2 PHE 47 HE2 PHE 47 -7.525 -8.183 -10.573 339 HZ PHE 47 HZ PHE 47 -6.337 -7.598 -8.497 340 H CYS 48 HN CYS 48 -12.924 -5.381 -11.477 341 HA CYS 48 HA CYS 48 -14.534 -2.920 -11.863 342 HB2 CYS 48 HB2 CYS 48 -14.738 -3.484 -14.151 343 HB3 CYS 48 HB1 CYS 48 -13.073 -3.926 -13.781 344 H LYS 49 HN LYS 49 -14.737 -5.922 -10.443 345 HA LYS 49 HA LYS 49 -16.353 -7.115 -9.482 346 HB2 LYS 49 HB2 LYS 49 -17.138 -4.938 -8.705 347 HB3 LYS 49 HB1 LYS 49 -18.031 -4.683 -10.197 348 HG2 LYS 49 HG2 LYS 49 -19.598 -6.474 -9.588 349 HG3 LYS 49 HG1 LYS 49 -18.687 -6.788 -8.108 350 HD2 LYS 49 HD2 LYS 49 -19.264 -4.610 -7.216 351 HD3 LYS 49 HD1 LYS 49 -19.989 -4.115 -8.747 352 HE2 LYS 49 HE2 LYS 49 -21.694 -4.718 -7.035 353 HE3 LYS 49 HE1 LYS 49 -21.790 -5.744 -8.467 354 HZ1 LYS 49 HZ1 LYS 49 -20.356 -6.521 -5.988 355 HZ2 LYS 49 HZ2 LYS 49 -20.734 -7.508 -7.311 356 HZ3 LYS 49 HZ3 LYS 49 -21.963 -6.931 -6.309 357 H THR 50 HN THR 50 -16.437 -6.775 -12.820 358 HA THR 50 HA THR 50 -18.853 -7.866 -13.662 359 HB THR 50 HB THR 50 -16.117 -8.472 -14.879 360 HG1 THR 50 HG1 THR 50 -17.859 -6.312 -15.525 361 HG21 THR 50 HG21 THR 50 -18.864 -8.353 -16.207 362 HG22 THR 50 HG22 THR 50 -17.974 -9.835 -15.850 363 HG23 THR 50 HG23 THR 50 -17.329 -8.682 -17.015 364 H THR 51 HN THR 51 -19.804 -9.840 -13.335 365 HA THR 51 HA THR 51 -18.788 -11.820 -11.651 366 HB THR 51 HB THR 51 -21.038 -12.026 -13.695 367 HG1 THR 51 HG1 THR 51 -20.800 -11.090 -11.040 368 HG21 THR 51 HG21 THR 51 -21.933 -13.869 -12.306 369 HG22 THR 51 HG22 THR 51 -20.500 -13.812 -11.281 370 HG23 THR 51 HG23 THR 51 -20.352 -14.304 -12.968 371 H ILE 52 HN ILE 52 -17.701 -13.702 -11.933 372 HA ILE 52 HA ILE 52 -15.936 -13.969 -14.115 373 HB ILE 52 HB ILE 52 -16.620 -16.058 -11.991 374 HG12 ILE 52 HG12 ILE 52 -15.801 -13.945 -10.981 375 HG13 ILE 52 HG11 ILE 52 -14.619 -15.233 -10.782 376 HG21 ILE 52 HG21 ILE 52 -15.487 -17.104 -13.911 377 HG22 ILE 52 HG22 ILE 52 -14.408 -17.062 -12.518 378 HG23 ILE 52 HG23 ILE 52 -14.192 -15.904 -13.833 379 HD11 ILE 52 HD11 ILE 52 -14.491 -13.001 -12.812 380 HD12 ILE 52 HD12 ILE 52 -13.302 -14.295 -12.635 381 HD13 ILE 52 HD13 ILE 52 -13.548 -13.136 -11.331 382 H VAL 53 HN VAL 53 -16.429 -14.665 -16.099 383 HA VAL 53 HA VAL 53 -18.561 -16.613 -16.597 384 HB VAL 53 HB VAL 53 -16.707 -15.193 -18.565 385 HG11 VAL 53 HG11 VAL 53 -17.639 -17.260 -19.524 386 HG12 VAL 53 HG12 VAL 53 -18.350 -15.845 -20.301 387 HG13 VAL 53 HG13 VAL 53 -19.271 -16.743 -19.094 388 HG21 VAL 53 HG21 VAL 53 -18.622 -13.677 -19.025 389 HG22 VAL 53 HG22 VAL 53 -18.098 -13.560 -17.346 390 HG23 VAL 53 HG23 VAL 53 -19.555 -14.469 -17.749 391 H SER 54 HN SER 54 -15.022 -16.291 -16.814 392 HA SER 54 HA SER 54 -14.647 -19.162 -16.543 393 HB2 SER 54 HB2 SER 54 -14.874 -18.815 -19.027 394 HB3 SER 54 HB1 SER 54 -13.519 -17.691 -18.983 395 HG SER 54 HG SER 54 -13.361 -20.221 -19.383 396 H VAL 55 HN VAL 55 -12.664 -19.650 -15.596 397 HA VAL 55 HA VAL 55 -10.665 -17.477 -15.228 398 HB VAL 55 HB VAL 55 -10.985 -20.025 -13.550 399 HG11 VAL 55 HG11 VAL 55 -8.628 -19.292 -13.667 400 HG12 VAL 55 HG12 VAL 55 -9.271 -19.039 -12.044 401 HG13 VAL 55 HG13 VAL 55 -9.092 -17.671 -13.144 402 HG21 VAL 55 HG21 VAL 55 -11.724 -18.550 -11.700 403 HG22 VAL 55 HG22 VAL 55 -12.829 -18.457 -13.072 404 HG23 VAL 55 HG23 VAL 55 -11.671 -17.157 -12.783 405 H GLU 56 HN GLU 56 -9.354 -17.716 -16.949 406 HA GLU 56 HA GLU 56 -8.420 -20.369 -17.838 407 HB2 GLU 56 HB2 GLU 56 -9.260 -18.834 -19.584 408 HB3 GLU 56 HB1 GLU 56 -8.128 -17.592 -19.075 409 HG2 GLU 56 HG2 GLU 56 -6.249 -19.148 -19.730 410 HG3 GLU 56 HG1 GLU 56 -7.463 -20.243 -20.385 411 H ASP 57 HN ASP 57 -6.103 -20.770 -18.001 412 HA ASP 57 HA ASP 57 -4.378 -19.459 -16.085 413 HB2 ASP 57 HB2 ASP 57 -3.829 -21.542 -18.249 414 HB3 ASP 57 HB1 ASP 57 -2.585 -20.939 -17.153 415 H TRP 58 HN TRP 58 -3.767 -17.401 -16.520 416 HA TRP 58 HA TRP 58 -3.508 -16.359 -19.192 417 HB2 TRP 58 HB2 TRP 58 -4.259 -14.937 -17.255 418 HB3 TRP 58 HB1 TRP 58 -2.632 -15.034 -16.588 419 HD1 TRP 58 HD1 TRP 58 -4.391 -13.753 -19.835 420 HE1 TRP 58 HE1 TRP 58 -3.081 -11.729 -20.722 421 HE3 TRP 58 HE3 TRP 58 -0.494 -13.743 -16.499 422 HZ2 TRP 58 HZ2 TRP 58 -0.724 -10.317 -20.108 423 HZ3 TRP 58 HZ3 TRP 58 1.258 -12.024 -16.729 424 HH2 TRP 58 HH2 TRP 58 1.140 -10.341 -18.502 425 H GLU 59 HN GLU 59 -1.865 -17.278 -20.329 426 HA GLU 59 HA GLU 59 0.829 -17.497 -19.322 427 HB2 GLU 59 HB2 GLU 59 1.401 -17.969 -21.751 428 HB3 GLU 59 HB1 GLU 59 0.228 -19.063 -21.030 429 HG2 GLU 59 HG2 GLU 59 -1.607 -17.795 -22.144 430 HG3 GLU 59 HG1 GLU 59 -0.400 -16.772 -22.920 431 H LYS 60 HN LYS 60 2.440 -16.044 -19.478 432 HA LYS 60 HA LYS 60 1.791 -13.272 -19.753 433 HB2 LYS 60 HB2 LYS 60 4.174 -12.899 -19.151 434 HB3 LYS 60 HB1 LYS 60 3.393 -14.052 -18.073 435 HG2 LYS 60 HG2 LYS 60 4.445 -15.919 -19.383 436 HG3 LYS 60 HG1 LYS 60 5.301 -14.716 -20.345 437 HD2 LYS 60 HD2 LYS 60 6.778 -15.612 -18.618 438 HD3 LYS 60 HD1 LYS 60 6.451 -13.907 -18.304 439 HE2 LYS 60 HE2 LYS 60 4.837 -14.511 -16.558 440 HE3 LYS 60 HE1 LYS 60 5.049 -16.225 -16.922 441 HZ1 LYS 60 HZ1 LYS 60 6.315 -15.643 -15.018 442 HZ2 LYS 60 HZ2 LYS 60 7.090 -14.381 -15.837 443 HZ3 LYS 60 HZ3 LYS 60 7.382 -15.986 -16.286 444 H GLY 61 HN GLY 61 3.031 -15.622 -21.933 445 HA2 GLY 61 HA2 GLY 61 3.131 -15.283 -24.298 446 HA3 GLY 61 HA1 GLY 61 3.601 -13.604 -24.028 Start of MODEL 15 1 H1 SER 1 HT1 SER 1 9.633 -11.978 -0.325 2 H2 SER 1 HT2 SER 1 10.931 -11.429 0.605 3 H3 SER 1 HT3 SER 1 10.194 -10.392 -0.510 4 HA SER 1 HA SER 1 8.165 -10.424 0.741 5 HB2 SER 1 HB2 SER 1 8.225 -11.505 3.052 6 HB3 SER 1 HB1 SER 1 8.273 -12.648 1.710 7 HG SER 1 HG SER 1 10.227 -12.013 3.577 8 H HIS 2 HN HIS 2 7.877 -8.608 1.920 9 HA HIS 2 HA HIS 2 8.187 -6.662 2.957 10 HB2 HIS 2 HB2 HIS 2 8.980 -7.959 4.889 11 HB3 HIS 2 HB1 HIS 2 10.611 -7.993 4.231 12 HD2 HIS 2 HD2 HIS 2 8.109 -5.192 5.508 13 HE1 HIS 2 HE1 HIS 2 12.103 -4.065 6.318 14 HE2 HIS 2 HE2 HIS 2 9.674 -3.354 6.443 15 H MET 3 HN MET 3 8.735 -4.867 1.956 16 HA MET 3 HA MET 3 9.537 -3.474 0.379 17 HB2 MET 3 HB2 MET 3 11.377 -3.257 2.096 18 HB3 MET 3 HB1 MET 3 12.285 -4.497 1.245 19 HG2 MET 3 HG2 MET 3 13.139 -2.253 0.731 20 HG3 MET 3 HG1 MET 3 12.479 -3.027 -0.716 21 HE1 MET 3 HE1 MET 3 11.680 0.876 -1.080 22 HE2 MET 3 HE2 MET 3 12.623 -0.458 -1.740 23 HE3 MET 3 HE3 MET 3 13.050 0.235 -0.173 24 HA PRO 4 HA PRO 4 9.995 -7.077 -2.627 25 HB2 PRO 4 HB2 PRO 4 7.340 -6.364 -3.706 26 HB3 PRO 4 HB1 PRO 4 7.863 -7.887 -2.978 27 HG2 PRO 4 HG2 PRO 4 6.094 -6.223 -1.744 28 HG3 PRO 4 HG1 PRO 4 7.240 -7.236 -0.839 29 HD2 PRO 4 HD2 PRO 4 7.479 -4.296 -1.553 30 HD3 PRO 4 HD1 PRO 4 7.753 -5.097 0.015 31 H THR 5 HN THR 5 11.622 -5.592 -3.428 32 HA THR 5 HA THR 5 10.919 -3.576 -5.422 33 HB THR 5 HB THR 5 13.471 -3.288 -5.521 34 HG1 THR 5 HG1 THR 5 14.280 -5.210 -4.834 35 HG21 THR 5 HG21 THR 5 12.104 -1.867 -4.017 36 HG22 THR 5 HG22 THR 5 13.675 -2.233 -3.301 37 HG23 THR 5 HG23 THR 5 12.233 -3.087 -2.748 38 H SER 6 HN SER 6 9.841 -5.535 -6.537 39 HA SER 6 HA SER 6 11.652 -6.691 -8.568 40 HB2 SER 6 HB2 SER 6 9.211 -8.038 -7.305 41 HB3 SER 6 HB1 SER 6 10.232 -8.725 -8.575 42 HG SER 6 HG SER 6 10.829 -9.496 -6.515 43 H GLU 7 HN GLU 7 11.166 -5.826 -10.501 44 HA GLU 7 HA GLU 7 8.451 -4.797 -11.037 45 HB2 GLU 7 HB2 GLU 7 11.159 -4.209 -12.281 46 HB3 GLU 7 HB1 GLU 7 9.664 -3.768 -13.094 47 HG2 GLU 7 HG2 GLU 7 10.560 -1.846 -11.930 48 HG3 GLU 7 HG1 GLU 7 9.035 -2.327 -11.201 49 H GLU 8 HN GLU 8 7.154 -6.241 -11.899 50 HA GLU 8 HA GLU 8 7.676 -7.514 -14.436 51 HB2 GLU 8 HB2 GLU 8 8.702 -9.127 -12.709 52 HB3 GLU 8 HB1 GLU 8 7.094 -9.344 -12.033 53 HG2 GLU 8 HG2 GLU 8 6.359 -10.185 -14.305 54 HG3 GLU 8 HG1 GLU 8 8.046 -10.120 -14.806 55 H ASP 9 HN ASP 9 5.505 -8.932 -14.914 56 HA ASP 9 HA ASP 9 3.140 -7.403 -14.270 57 HB2 ASP 9 HB2 ASP 9 3.641 -8.569 -16.519 58 HB3 ASP 9 HB1 ASP 9 3.280 -10.093 -15.717 59 H LEU 10 HN LEU 10 3.640 -7.743 -11.968 60 HA LEU 10 HA LEU 10 3.161 -10.313 -10.731 61 HB2 LEU 10 HB2 LEU 10 3.670 -7.563 -9.538 62 HB3 LEU 10 HB1 LEU 10 3.566 -9.048 -8.602 63 HG LEU 10 HG LEU 10 5.667 -8.513 -10.740 64 HD11 LEU 10 HD11 LEU 10 6.015 -7.011 -8.836 65 HD12 LEU 10 HD12 LEU 10 7.282 -8.233 -8.915 66 HD13 LEU 10 HD13 LEU 10 5.984 -8.385 -7.727 67 HD21 LEU 10 HD21 LEU 10 6.796 -10.514 -9.829 68 HD22 LEU 10 HD22 LEU 10 5.210 -10.906 -10.479 69 HD23 LEU 10 HD23 LEU 10 5.439 -10.785 -8.734 70 H CYS 11 HN CYS 11 1.596 -10.588 -8.985 71 HA CYS 11 HA CYS 11 -1.060 -9.997 -9.716 72 HB2 CYS 11 HB2 CYS 11 -0.450 -11.964 -8.301 73 HB3 CYS 11 HB1 CYS 11 -0.043 -10.870 -6.980 74 HA PRO 12 HA PRO 12 -1.053 -5.715 -8.093 75 HB2 PRO 12 HB2 PRO 12 -3.686 -5.084 -8.628 76 HB3 PRO 12 HB1 PRO 12 -2.439 -5.148 -9.884 77 HG2 PRO 12 HG2 PRO 12 -4.445 -7.274 -9.100 78 HG3 PRO 12 HG1 PRO 12 -4.024 -6.680 -10.726 79 HD2 PRO 12 HD2 PRO 12 -2.975 -8.975 -9.765 80 HD3 PRO 12 HD1 PRO 12 -2.011 -7.885 -10.779 81 H ILE 13 HN ILE 13 -2.775 -8.363 -6.842 82 HA ILE 13 HA ILE 13 -4.035 -6.943 -4.608 83 HB ILE 13 HB ILE 13 -4.231 -9.850 -5.523 84 HG12 ILE 13 HG12 ILE 13 -6.232 -7.558 -5.902 85 HG13 ILE 13 HG11 ILE 13 -5.182 -8.191 -7.162 86 HG21 ILE 13 HG21 ILE 13 -5.886 -8.394 -3.412 87 HG22 ILE 13 HG22 ILE 13 -4.727 -9.692 -3.118 88 HG23 ILE 13 HG23 ILE 13 -6.208 -10.024 -4.015 89 HD11 ILE 13 HD11 ILE 13 -7.381 -9.712 -5.769 90 HD12 ILE 13 HD12 ILE 13 -6.339 -10.338 -7.050 91 HD13 ILE 13 HD13 ILE 13 -7.447 -9.008 -7.385 92 H CYS 14 HN CYS 14 -1.288 -9.038 -5.272 93 HA CYS 14 HA CYS 14 -0.852 -9.551 -2.371 94 HB2 CYS 14 HB2 CYS 14 -0.014 -11.281 -4.724 95 HB3 CYS 14 HB1 CYS 14 0.321 -11.617 -3.028 96 H TYR 15 HN TYR 15 0.623 -8.911 -5.465 97 HA TYR 15 HA TYR 15 2.240 -7.575 -6.183 98 HB2 TYR 15 HB2 TYR 15 1.742 -6.215 -4.006 99 HB3 TYR 15 HB1 TYR 15 3.212 -6.942 -3.375 100 HD1 TYR 15 HD1 TYR 15 1.829 -4.709 -5.980 101 HD2 TYR 15 HD2 TYR 15 5.417 -6.150 -4.149 102 HE1 TYR 15 HE1 TYR 15 3.109 -2.949 -7.103 103 HE2 TYR 15 HE2 TYR 15 6.691 -4.377 -5.272 104 HH TYR 15 HH TYR 15 6.504 -2.934 -7.220 105 H ALA 16 HN ALA 16 3.368 -9.448 -3.352 106 HA ALA 16 HA ALA 16 6.043 -9.743 -4.093 107 HB1 ALA 16 HB1 ALA 16 4.346 -11.535 -2.330 108 HB2 ALA 16 HB2 ALA 16 5.232 -10.098 -1.815 109 HB3 ALA 16 HB3 ALA 16 6.113 -11.520 -2.375 110 H HIS 17 HN HIS 17 3.246 -11.796 -4.849 111 HA HIS 17 HA HIS 17 4.917 -13.643 -6.457 112 HB2 HIS 17 HB2 HIS 17 2.129 -13.985 -5.262 113 HB3 HIS 17 HB1 HIS 17 2.824 -15.128 -6.411 114 HD1 HIS 17 HD1 HIS 17 2.055 -16.101 -3.626 115 HD2 HIS 17 HD2 HIS 17 5.863 -14.721 -4.573 116 HE1 HIS 17 HE1 HIS 17 3.593 -17.121 -1.932 117 HE2 HIS 17 HE2 HIS 17 5.837 -16.110 -2.400 118 HA PRO 18 HA PRO 18 3.297 -11.963 -10.230 119 HB2 PRO 18 HB2 PRO 18 3.533 -14.008 -11.984 120 HB3 PRO 18 HB1 PRO 18 4.954 -13.288 -11.214 121 HG2 PRO 18 HG2 PRO 18 3.454 -15.790 -10.423 122 HG3 PRO 18 HG1 PRO 18 5.206 -15.569 -10.653 123 HD2 PRO 18 HD2 PRO 18 4.043 -15.474 -8.188 124 HD3 PRO 18 HD1 PRO 18 5.466 -14.492 -8.595 125 H ILE 19 HN ILE 19 1.856 -12.840 -12.245 126 HA ILE 19 HA ILE 19 -0.812 -13.501 -11.186 127 HB ILE 19 HB ILE 19 0.171 -12.319 -13.825 128 HG12 ILE 19 HG12 ILE 19 -1.495 -11.192 -11.524 129 HG13 ILE 19 HG11 ILE 19 0.137 -10.726 -11.975 130 HG21 ILE 19 HG21 ILE 19 -2.728 -12.962 -13.173 131 HG22 ILE 19 HG22 ILE 19 -1.732 -13.800 -14.364 132 HG23 ILE 19 HG23 ILE 19 -2.144 -12.103 -14.601 133 HD11 ILE 19 HD11 ILE 19 -2.388 -10.174 -13.509 134 HD12 ILE 19 HD12 ILE 19 -0.766 -9.767 -14.067 135 HD13 ILE 19 HD13 ILE 19 -1.411 -9.022 -12.603 136 H SER 20 HN SER 20 -2.018 -15.230 -11.999 137 HA SER 20 HA SER 20 -1.003 -17.073 -13.981 138 HB2 SER 20 HB2 SER 20 -1.101 -19.045 -12.376 139 HB3 SER 20 HB1 SER 20 0.225 -17.923 -12.071 140 HG SER 20 HG SER 20 -1.017 -18.620 -10.192 141 H ALA 21 HN ALA 21 -3.348 -15.312 -13.415 142 HA ALA 21 HA ALA 21 -5.431 -17.155 -14.281 143 HB1 ALA 21 HB1 ALA 21 -7.095 -16.382 -12.608 144 HB2 ALA 21 HB2 ALA 21 -5.840 -15.443 -11.789 145 HB3 ALA 21 HB3 ALA 21 -5.736 -17.201 -11.840 146 H VAL 22 HN VAL 22 -6.907 -16.164 -15.608 147 HA VAL 22 HA VAL 22 -7.014 -13.239 -15.806 148 HB VAL 22 HB VAL 22 -5.431 -13.866 -17.567 149 HG11 VAL 22 HG11 VAL 22 -5.981 -15.383 -19.426 150 HG12 VAL 22 HG12 VAL 22 -7.536 -15.763 -18.683 151 HG13 VAL 22 HG13 VAL 22 -6.037 -16.234 -17.880 152 HG21 VAL 22 HG21 VAL 22 -6.986 -12.027 -18.079 153 HG22 VAL 22 HG22 VAL 22 -8.148 -13.162 -18.772 154 HG23 VAL 22 HG23 VAL 22 -6.582 -12.913 -19.549 155 H PHE 23 HN PHE 23 -9.037 -12.656 -15.617 156 HA PHE 23 HA PHE 23 -11.208 -14.585 -15.621 157 HB2 PHE 23 HB2 PHE 23 -11.556 -11.618 -15.006 158 HB3 PHE 23 HB1 PHE 23 -12.454 -12.988 -14.361 159 HD1 PHE 23 HD1 PHE 23 -10.464 -14.794 -13.300 160 HD2 PHE 23 HD2 PHE 23 -10.477 -10.519 -13.246 161 HE1 PHE 23 HE1 PHE 23 -8.981 -14.804 -11.355 162 HE2 PHE 23 HE2 PHE 23 -8.996 -10.542 -11.292 163 HZ PHE 23 HZ PHE 23 -8.242 -12.688 -10.350 164 H GLN 24 HN GLN 24 -11.602 -15.051 -17.732 165 HA GLN 24 HA GLN 24 -11.915 -12.981 -19.732 166 HB2 GLN 24 HB2 GLN 24 -11.725 -15.988 -19.757 167 HB3 GLN 24 HB1 GLN 24 -12.563 -15.220 -21.109 168 HG2 GLN 24 HG2 GLN 24 -10.601 -13.795 -21.513 169 HG3 GLN 24 HG1 GLN 24 -9.737 -14.613 -20.204 170 HE21 GLN 24 HE21 GLN 24 -9.127 -16.823 -20.531 171 HE22 GLN 24 HE22 GLN 24 -8.977 -17.480 -22.124 172 HA PRO 25 HA PRO 25 -12.855 -12.929 -21.802 173 HB2 PRO 25 HB2 PRO 25 -14.601 -11.651 -23.337 174 HB3 PRO 25 HB1 PRO 25 -14.802 -13.388 -23.052 175 HG2 PRO 25 HG2 PRO 25 -16.189 -11.089 -21.684 176 HG3 PRO 25 HG1 PRO 25 -16.907 -12.550 -22.392 177 HD2 PRO 25 HD2 PRO 25 -16.311 -12.255 -19.690 178 HD3 PRO 25 HD1 PRO 25 -16.432 -13.827 -20.511 179 H CYS 26 HN CYS 26 -13.471 -11.232 -19.180 180 HA CYS 26 HA CYS 26 -13.620 -8.516 -19.932 181 HB2 CYS 26 HB2 CYS 26 -14.261 -9.145 -17.682 182 HB3 CYS 26 HB1 CYS 26 -12.657 -9.798 -17.354 183 H GLY 27 HN GLY 27 -10.775 -10.269 -18.572 184 HA2 GLY 27 HA2 GLY 27 -8.641 -10.003 -19.821 185 HA3 GLY 27 HA1 GLY 27 -8.999 -8.289 -19.920 186 H HIS 28 HN HIS 28 -10.072 -8.543 -16.992 187 HA HIS 28 HA HIS 28 -7.737 -7.706 -15.652 188 HB2 HIS 28 HB2 HIS 28 -10.471 -8.524 -14.658 189 HB3 HIS 28 HB1 HIS 28 -9.176 -8.323 -13.482 190 HD2 HIS 28 HD2 HIS 28 -7.810 -5.595 -14.431 191 HE1 HIS 28 HE1 HIS 28 -11.715 -4.029 -14.210 192 HE2 HIS 28 HE2 HIS 28 -9.260 -3.499 -14.029 193 H LYS 29 HN LYS 29 -6.456 -8.716 -14.083 194 HA LYS 29 HA LYS 29 -6.280 -11.654 -14.205 195 HB2 LYS 29 HB2 LYS 29 -3.972 -9.743 -14.802 196 HB3 LYS 29 HB1 LYS 29 -3.871 -11.495 -14.730 197 HG2 LYS 29 HG2 LYS 29 -5.347 -11.658 -16.704 198 HG3 LYS 29 HG1 LYS 29 -5.417 -9.896 -16.784 199 HD2 LYS 29 HD2 LYS 29 -2.909 -9.880 -17.078 200 HD3 LYS 29 HD1 LYS 29 -2.954 -11.644 -17.160 201 HE2 LYS 29 HE2 LYS 29 -2.870 -10.687 -19.410 202 HE3 LYS 29 HE1 LYS 29 -4.413 -11.503 -19.156 203 HZ1 LYS 29 HZ1 LYS 29 -3.943 -8.577 -18.995 204 HZ2 LYS 29 HZ2 LYS 29 -5.419 -9.339 -18.726 205 HZ3 LYS 29 HZ3 LYS 29 -4.718 -9.389 -20.256 206 H SER 30 HN SER 30 -4.998 -12.577 -12.568 207 HA SER 30 HA SER 30 -3.417 -11.154 -10.683 208 HB2 SER 30 HB2 SER 30 -4.708 -11.541 -8.624 209 HB3 SER 30 HB1 SER 30 -5.713 -10.617 -9.744 210 HG SER 30 HG SER 30 -6.569 -12.754 -10.371 211 H CYS 31 HN CYS 31 -2.837 -12.879 -8.791 212 HA CYS 31 HA CYS 31 -2.040 -15.347 -9.999 213 HB2 CYS 31 HB2 CYS 31 -1.142 -15.946 -7.858 214 HB3 CYS 31 HB1 CYS 31 -0.909 -14.206 -7.991 215 H LYS 32 HN LYS 32 -3.024 -17.442 -9.755 216 HA LYS 32 HA LYS 32 -5.845 -17.426 -9.768 217 HB2 LYS 32 HB2 LYS 32 -5.693 -19.890 -10.038 218 HB3 LYS 32 HB1 LYS 32 -4.689 -18.983 -11.151 219 HG2 LYS 32 HG2 LYS 32 -3.334 -20.777 -10.579 220 HG3 LYS 32 HG1 LYS 32 -2.734 -19.495 -9.530 221 HD2 LYS 32 HD2 LYS 32 -3.934 -20.456 -7.618 222 HD3 LYS 32 HD1 LYS 32 -4.695 -21.660 -8.662 223 HE2 LYS 32 HE2 LYS 32 -1.736 -21.443 -8.010 224 HE3 LYS 32 HE1 LYS 32 -2.852 -22.679 -7.427 225 HZ1 LYS 32 HZ1 LYS 32 -1.556 -23.524 -9.239 226 HZ2 LYS 32 HZ2 LYS 32 -2.012 -22.242 -10.239 227 HZ3 LYS 32 HZ3 LYS 32 -3.166 -23.378 -9.746 228 H ALA 33 HN ALA 33 -3.627 -17.927 -7.184 229 HA ALA 33 HA ALA 33 -5.178 -19.186 -5.243 230 HB1 ALA 33 HB1 ALA 33 -3.693 -18.109 -3.598 231 HB2 ALA 33 HB2 ALA 33 -3.103 -17.004 -4.842 232 HB3 ALA 33 HB3 ALA 33 -2.772 -18.733 -4.968 233 H CYS 34 HN CYS 34 -5.079 -15.790 -6.240 234 HA CYS 34 HA CYS 34 -6.727 -14.607 -4.314 235 HB2 CYS 34 HB2 CYS 34 -5.897 -13.818 -7.091 236 HB3 CYS 34 HB1 CYS 34 -7.298 -12.994 -6.427 237 H ILE 35 HN ILE 35 -7.656 -15.903 -7.537 238 HA ILE 35 HA ILE 35 -10.416 -15.213 -7.137 239 HB ILE 35 HB ILE 35 -9.456 -15.133 -9.394 240 HG12 ILE 35 HG12 ILE 35 -11.313 -16.280 -10.629 241 HG13 ILE 35 HG11 ILE 35 -11.723 -17.180 -9.173 242 HG21 ILE 35 HG21 ILE 35 -9.230 -18.156 -9.262 243 HG22 ILE 35 HG22 ILE 35 -7.892 -17.007 -9.290 244 HG23 ILE 35 HG23 ILE 35 -8.949 -17.162 -10.693 245 HD11 ILE 35 HD11 ILE 35 -13.243 -15.326 -9.536 246 HD12 ILE 35 HD12 ILE 35 -11.902 -14.182 -9.514 247 HD13 ILE 35 HD13 ILE 35 -12.322 -15.082 -8.053 248 H ASN 36 HN ASN 36 -8.514 -18.181 -6.804 249 HA ASN 36 HA ASN 36 -10.650 -19.996 -6.426 250 HB2 ASN 36 HB2 ASN 36 -8.319 -20.723 -6.836 251 HB3 ASN 36 HB1 ASN 36 -7.825 -20.078 -5.275 252 HD21 ASN 36 HD21 ASN 36 -8.372 -21.236 -3.395 253 HD22 ASN 36 HD22 ASN 36 -8.968 -22.857 -3.434 254 H GLN 37 HN GLN 37 -8.863 -17.929 -4.176 255 HA GLN 37 HA GLN 37 -10.289 -18.694 -1.797 256 HB2 GLN 37 HB2 GLN 37 -7.962 -17.775 -1.822 257 HB3 GLN 37 HB1 GLN 37 -8.592 -16.229 -2.376 258 HG2 GLN 37 HG2 GLN 37 -9.860 -16.014 -0.249 259 HG3 GLN 37 HG1 GLN 37 -9.175 -17.546 0.296 260 HE21 GLN 37 HE21 GLN 37 -8.157 -16.582 2.079 261 HE22 GLN 37 HE22 GLN 37 -6.779 -15.555 1.917 262 H HIS 38 HN HIS 38 -10.756 -16.343 -4.338 263 HA HIS 38 HA HIS 38 -12.508 -14.536 -3.005 264 HB2 HIS 38 HB2 HIS 38 -11.219 -13.918 -5.034 265 HB3 HIS 38 HB1 HIS 38 -12.180 -15.037 -5.989 266 HD2 HIS 38 HD2 HIS 38 -14.360 -13.892 -7.146 267 HE1 HIS 38 HE1 HIS 38 -14.400 -10.376 -4.797 268 HE2 HIS 38 HE2 HIS 38 -15.230 -11.464 -6.912 269 H LEU 39 HN LEU 39 -13.006 -17.322 -5.168 270 HA LEU 39 HA LEU 39 -15.785 -17.102 -5.534 271 HB2 LEU 39 HB2 LEU 39 -13.992 -19.543 -5.731 272 HB3 LEU 39 HB1 LEU 39 -15.661 -19.509 -6.276 273 HG LEU 39 HG LEU 39 -13.401 -17.818 -7.424 274 HD11 LEU 39 HD11 LEU 39 -13.150 -20.165 -8.043 275 HD12 LEU 39 HD12 LEU 39 -13.601 -19.198 -9.445 276 HD13 LEU 39 HD13 LEU 39 -14.810 -20.206 -8.645 277 HD21 LEU 39 HD21 LEU 39 -15.524 -16.608 -7.575 278 HD22 LEU 39 HD22 LEU 39 -16.286 -18.000 -8.347 279 HD23 LEU 39 HD23 LEU 39 -14.990 -17.131 -9.173 280 H MET 40 HN MET 40 -14.011 -18.264 -2.838 281 HA MET 40 HA MET 40 -15.876 -19.892 -1.497 282 HB2 MET 40 HB2 MET 40 -13.735 -18.015 -0.417 283 HB3 MET 40 HB1 MET 40 -14.618 -19.162 0.583 284 HG2 MET 40 HG2 MET 40 -12.940 -19.990 -1.788 285 HG3 MET 40 HG1 MET 40 -12.318 -19.892 -0.142 286 HE1 MET 40 HE1 MET 40 -14.865 -20.916 1.571 287 HE2 MET 40 HE2 MET 40 -13.204 -21.433 1.873 288 HE3 MET 40 HE3 MET 40 -14.484 -22.633 1.690 289 H ASN 41 HN ASN 41 -15.684 -16.391 -1.804 290 HA ASN 41 HA ASN 41 -18.000 -16.035 0.018 291 HB2 ASN 41 HB2 ASN 41 -15.768 -14.055 -0.598 292 HB3 ASN 41 HB1 ASN 41 -17.158 -13.710 0.425 293 HD21 ASN 41 HD21 ASN 41 -14.428 -13.515 1.206 294 HD22 ASN 41 HD22 ASN 41 -14.164 -14.646 2.488 295 H ASN 42 HN ASN 42 -16.417 -14.436 -2.793 296 HA ASN 42 HA ASN 42 -19.083 -13.708 -3.910 297 HB2 ASN 42 HB2 ASN 42 -16.487 -12.108 -4.091 298 HB3 ASN 42 HB1 ASN 42 -18.036 -11.638 -4.784 299 HD21 ASN 42 HD21 ASN 42 -19.733 -11.010 -3.342 300 HD22 ASN 42 HD22 ASN 42 -19.372 -10.455 -1.746 301 H LYS 43 HN LYS 43 -19.138 -13.487 -6.296 302 HA LYS 43 HA LYS 43 -16.950 -14.881 -7.754 303 HB2 LYS 43 HB2 LYS 43 -19.934 -15.202 -8.323 304 HB3 LYS 43 HB1 LYS 43 -18.630 -15.878 -9.292 305 HG2 LYS 43 HG2 LYS 43 -17.925 -17.206 -7.234 306 HG3 LYS 43 HG1 LYS 43 -19.413 -16.652 -6.462 307 HD2 LYS 43 HD2 LYS 43 -19.734 -18.892 -7.422 308 HD3 LYS 43 HD1 LYS 43 -20.748 -17.711 -8.254 309 HE2 LYS 43 HE2 LYS 43 -19.172 -17.627 -10.132 310 HE3 LYS 43 HE1 LYS 43 -18.071 -18.717 -9.290 311 HZ1 LYS 43 HZ1 LYS 43 -19.351 -19.890 -10.936 312 HZ2 LYS 43 HZ2 LYS 43 -20.801 -19.371 -10.240 313 HZ3 LYS 43 HZ3 LYS 43 -19.793 -20.427 -9.390 314 H ASP 44 HN ASP 44 -16.402 -12.511 -7.717 315 HA ASP 44 HA ASP 44 -17.600 -11.076 -10.031 316 HB2 ASP 44 HB2 ASP 44 -16.710 -9.860 -7.381 317 HB3 ASP 44 HB1 ASP 44 -17.308 -8.946 -8.756 318 H CYS 45 HN CYS 45 -16.111 -9.508 -11.016 319 HA CYS 45 HA CYS 45 -13.401 -10.607 -11.242 320 HB2 CYS 45 HB2 CYS 45 -14.796 -10.172 -13.237 321 HB3 CYS 45 HB1 CYS 45 -14.837 -8.465 -12.853 322 H PHE 46 HN PHE 46 -13.989 -9.176 -8.825 323 HA PHE 46 HA PHE 46 -13.062 -7.838 -7.336 324 HB2 PHE 46 HB2 PHE 46 -10.712 -7.913 -9.270 325 HB3 PHE 46 HB1 PHE 46 -10.610 -7.269 -7.638 326 HD1 PHE 46 HD2 PHE 46 -10.892 -10.346 -9.663 327 HD2 PHE 46 HD1 PHE 46 -10.617 -8.779 -5.692 328 HE1 PHE 46 HE2 PHE 46 -10.332 -12.583 -8.812 329 HE2 PHE 46 HE1 PHE 46 -10.061 -11.022 -4.856 330 HZ PHE 46 HZ PHE 46 -9.915 -12.923 -6.412 331 H PHE 47 HN PHE 47 -11.556 -6.257 -10.141 332 HA PHE 47 HA PHE 47 -11.760 -3.708 -8.863 333 HB2 PHE 47 HB2 PHE 47 -10.733 -4.301 -11.673 334 HB3 PHE 47 HB1 PHE 47 -10.299 -2.938 -10.643 335 HD1 PHE 47 HD1 PHE 47 -9.093 -3.536 -8.368 336 HD2 PHE 47 HD2 PHE 47 -9.353 -6.242 -11.679 337 HE1 PHE 47 HE1 PHE 47 -7.210 -4.841 -7.462 338 HE2 PHE 47 HE2 PHE 47 -7.468 -7.528 -10.767 339 HZ PHE 47 HZ PHE 47 -6.397 -6.834 -8.658 340 H CYS 48 HN CYS 48 -13.259 -5.228 -11.696 341 HA CYS 48 HA CYS 48 -14.965 -2.834 -12.160 342 HB2 CYS 48 HB2 CYS 48 -15.253 -3.571 -14.417 343 HB3 CYS 48 HB1 CYS 48 -13.538 -3.806 -14.079 344 H LYS 49 HN LYS 49 -15.051 -5.744 -10.580 345 HA LYS 49 HA LYS 49 -16.568 -7.010 -9.587 346 HB2 LYS 49 HB2 LYS 49 -17.516 -4.782 -8.976 347 HB3 LYS 49 HB1 LYS 49 -18.552 -4.845 -10.397 348 HG2 LYS 49 HG2 LYS 49 -19.635 -6.905 -9.422 349 HG3 LYS 49 HG1 LYS 49 -18.682 -6.653 -7.963 350 HD2 LYS 49 HD2 LYS 49 -19.790 -4.525 -7.553 351 HD3 LYS 49 HD1 LYS 49 -20.653 -4.638 -9.089 352 HE2 LYS 49 HE2 LYS 49 -21.879 -6.613 -8.290 353 HE3 LYS 49 HE1 LYS 49 -20.978 -6.590 -6.773 354 HZ1 LYS 49 HZ1 LYS 49 -23.188 -5.618 -6.584 355 HZ2 LYS 49 HZ2 LYS 49 -22.781 -4.436 -7.716 356 HZ3 LYS 49 HZ3 LYS 49 -21.983 -4.492 -6.232 357 H THR 50 HN THR 50 -16.686 -6.792 -12.939 358 HA THR 50 HA THR 50 -19.067 -7.882 -13.791 359 HB THR 50 HB THR 50 -16.343 -8.638 -14.935 360 HG1 THR 50 HG1 THR 50 -17.977 -6.433 -15.677 361 HG21 THR 50 HG21 THR 50 -17.551 -8.844 -17.085 362 HG22 THR 50 HG22 THR 50 -19.078 -8.469 -16.287 363 HG23 THR 50 HG23 THR 50 -18.218 -9.962 -15.896 364 H THR 51 HN THR 51 -20.103 -9.767 -13.342 365 HA THR 51 HA THR 51 -19.282 -11.682 -11.530 366 HB THR 51 HB THR 51 -21.258 -12.172 -13.811 367 HG1 THR 51 HG1 THR 51 -21.460 -10.714 -11.407 368 HG21 THR 51 HG21 THR 51 -22.391 -13.692 -12.229 369 HG22 THR 51 HG22 THR 51 -21.166 -13.363 -11.001 370 HG23 THR 51 HG23 THR 51 -20.725 -14.218 -12.480 371 H ILE 52 HN ILE 52 -17.982 -13.473 -11.635 372 HA ILE 52 HA ILE 52 -16.190 -13.856 -13.759 373 HB ILE 52 HB ILE 52 -16.803 -15.685 -11.399 374 HG12 ILE 52 HG12 ILE 52 -15.947 -13.419 -10.766 375 HG13 ILE 52 HG11 ILE 52 -14.798 -14.684 -10.355 376 HG21 ILE 52 HG21 ILE 52 -14.453 -15.804 -13.333 377 HG22 ILE 52 HG22 ILE 52 -15.734 -17.007 -13.161 378 HG23 ILE 52 HG23 ILE 52 -14.593 -16.745 -11.844 379 HD11 ILE 52 HD11 ILE 52 -14.615 -12.848 -12.751 380 HD12 ILE 52 HD12 ILE 52 -13.448 -14.102 -12.323 381 HD13 ILE 52 HD13 ILE 52 -13.686 -12.718 -11.259 382 H VAL 53 HN VAL 53 -17.005 -14.392 -15.688 383 HA VAL 53 HA VAL 53 -18.924 -16.482 -16.165 384 HB VAL 53 HB VAL 53 -17.021 -15.149 -18.160 385 HG11 VAL 53 HG11 VAL 53 -18.659 -15.831 -19.896 386 HG12 VAL 53 HG12 VAL 53 -19.609 -16.677 -18.674 387 HG13 VAL 53 HG13 VAL 53 -17.979 -17.229 -19.059 388 HG21 VAL 53 HG21 VAL 53 -18.893 -13.610 -18.701 389 HG22 VAL 53 HG22 VAL 53 -18.384 -13.443 -17.022 390 HG23 VAL 53 HG23 VAL 53 -19.861 -14.327 -17.410 391 H SER 54 HN SER 54 -15.407 -16.119 -16.817 392 HA SER 54 HA SER 54 -14.889 -18.891 -16.104 393 HB2 SER 54 HB2 SER 54 -15.525 -19.034 -18.521 394 HB3 SER 54 HB1 SER 54 -14.241 -17.893 -18.922 395 HG SER 54 HG SER 54 -12.758 -19.396 -18.516 396 H VAL 55 HN VAL 55 -12.698 -19.326 -15.748 397 HA VAL 55 HA VAL 55 -10.764 -17.076 -15.830 398 HB VAL 55 HB VAL 55 -10.942 -19.196 -13.621 399 HG11 VAL 55 HG11 VAL 55 -9.160 -17.904 -12.479 400 HG12 VAL 55 HG12 VAL 55 -9.061 -16.812 -13.863 401 HG13 VAL 55 HG13 VAL 55 -8.616 -18.508 -14.045 402 HG21 VAL 55 HG21 VAL 55 -11.577 -17.354 -12.100 403 HG22 VAL 55 HG22 VAL 55 -12.764 -17.568 -13.386 404 HG23 VAL 55 HG23 VAL 55 -11.612 -16.233 -13.462 405 H GLU 56 HN GLU 56 -9.057 -17.590 -17.023 406 HA GLU 56 HA GLU 56 -8.266 -20.421 -17.423 407 HB2 GLU 56 HB2 GLU 56 -7.943 -17.939 -19.143 408 HB3 GLU 56 HB1 GLU 56 -6.834 -19.287 -19.346 409 HG2 GLU 56 HG2 GLU 56 -8.687 -19.286 -20.988 410 HG3 GLU 56 HG1 GLU 56 -8.625 -20.755 -20.018 411 H ASP 57 HN ASP 57 -6.185 -21.060 -16.911 412 HA ASP 57 HA ASP 57 -4.633 -19.582 -15.032 413 HB2 ASP 57 HB2 ASP 57 -3.831 -21.984 -16.755 414 HB3 ASP 57 HB1 ASP 57 -2.891 -21.366 -15.399 415 H TRP 58 HN TRP 58 -3.779 -17.649 -15.680 416 HA TRP 58 HA TRP 58 -2.819 -17.085 -18.304 417 HB2 TRP 58 HB2 TRP 58 -3.664 -15.307 -16.758 418 HB3 TRP 58 HB1 TRP 58 -2.256 -15.550 -15.723 419 HD1 TRP 58 HD1 TRP 58 -3.142 -14.291 -19.294 420 HE1 TRP 58 HE1 TRP 58 -1.275 -12.707 -20.081 421 HE3 TRP 58 HE3 TRP 58 0.140 -14.855 -15.409 422 HZ2 TRP 58 HZ2 TRP 58 1.235 -11.807 -19.180 423 HZ3 TRP 58 HZ3 TRP 58 2.260 -13.607 -15.446 424 HH2 TRP 58 HH2 TRP 58 2.800 -12.107 -17.305 425 H GLU 59 HN GLU 59 -1.313 -18.490 -18.924 426 HA GLU 59 HA GLU 59 1.051 -19.147 -17.332 427 HB2 GLU 59 HB2 GLU 59 0.082 -20.128 -20.057 428 HB3 GLU 59 HB1 GLU 59 1.465 -20.779 -19.180 429 HG2 GLU 59 HG2 GLU 59 0.101 -21.745 -17.488 430 HG3 GLU 59 HG1 GLU 59 -1.300 -20.777 -17.940 431 H LYS 60 HN LYS 60 2.775 -17.813 -17.476 432 HA LYS 60 HA LYS 60 3.092 -15.822 -19.514 433 HB2 LYS 60 HB2 LYS 60 5.223 -15.297 -18.355 434 HB3 LYS 60 HB1 LYS 60 3.865 -15.411 -17.241 435 HG2 LYS 60 HG2 LYS 60 4.588 -17.686 -16.569 436 HG3 LYS 60 HG1 LYS 60 5.960 -17.581 -17.674 437 HD2 LYS 60 HD2 LYS 60 5.472 -15.781 -15.270 438 HD3 LYS 60 HD1 LYS 60 6.617 -17.121 -15.335 439 HE2 LYS 60 HE2 LYS 60 7.901 -15.957 -17.079 440 HE3 LYS 60 HE1 LYS 60 6.747 -14.622 -17.061 441 HZ1 LYS 60 HZ1 LYS 60 7.345 -14.182 -14.769 442 HZ2 LYS 60 HZ2 LYS 60 8.711 -14.125 -15.759 443 HZ3 LYS 60 HZ3 LYS 60 8.437 -15.471 -14.777 444 H GLY 61 HN GLY 61 4.671 -15.678 -21.135 445 HA2 GLY 61 HA2 GLY 61 6.146 -16.387 -22.754 446 HA3 GLY 61 HA1 GLY 61 6.513 -17.793 -21.760 Start of MODEL 16 1 H1 SER 1 HT1 SER 1 3.721 -1.103 3.781 2 H2 SER 1 HT2 SER 1 2.924 -2.264 4.717 3 H3 SER 1 HT3 SER 1 3.404 -2.637 3.138 4 HA SER 1 HA SER 1 5.215 -2.021 5.387 5 HB2 SER 1 HB2 SER 1 4.009 -4.223 5.591 6 HB3 SER 1 HB1 SER 1 4.646 -4.693 4.018 7 HG SER 1 HG SER 1 5.934 -4.479 6.486 8 H HIS 2 HN HIS 2 7.423 -1.954 4.845 9 HA HIS 2 HA HIS 2 8.191 -1.061 2.296 10 HB2 HIS 2 HB2 HIS 2 9.896 -2.234 4.536 11 HB3 HIS 2 HB1 HIS 2 10.565 -1.462 3.100 12 HD2 HIS 2 HD2 HIS 2 9.738 1.365 2.873 13 HE1 HIS 2 HE1 HIS 2 9.543 1.696 7.089 14 HE2 HIS 2 HE2 HIS 2 9.672 2.970 4.907 15 H MET 3 HN MET 3 8.321 -2.183 0.462 16 HA MET 3 HA MET 3 9.850 -4.576 0.152 17 HB2 MET 3 HB2 MET 3 7.708 -5.594 0.948 18 HB3 MET 3 HB1 MET 3 6.837 -4.782 -0.341 19 HG2 MET 3 HG2 MET 3 7.977 -6.131 -2.019 20 HG3 MET 3 HG1 MET 3 8.997 -6.865 -0.781 21 HE1 MET 3 HE1 MET 3 6.445 -9.075 1.213 22 HE2 MET 3 HE2 MET 3 7.027 -7.458 1.611 23 HE3 MET 3 HE3 MET 3 8.145 -8.668 0.979 24 HA PRO 4 HA PRO 4 9.608 -1.873 -3.634 25 HB2 PRO 4 HB2 PRO 4 12.168 -1.097 -3.796 26 HB3 PRO 4 HB1 PRO 4 11.117 -0.405 -2.550 27 HG2 PRO 4 HG2 PRO 4 13.183 -2.586 -2.290 28 HG3 PRO 4 HG1 PRO 4 12.862 -1.216 -1.205 29 HD2 PRO 4 HD2 PRO 4 11.874 -3.817 -0.834 30 HD3 PRO 4 HD1 PRO 4 11.194 -2.357 -0.086 31 H THR 5 HN THR 5 11.432 -1.997 -5.571 32 HA THR 5 HA THR 5 12.580 -3.125 -7.153 33 HB THR 5 HB THR 5 12.886 -5.457 -5.205 34 HG1 THR 5 HG1 THR 5 13.796 -2.902 -5.038 35 HG21 THR 5 HG21 THR 5 15.012 -5.874 -6.373 36 HG22 THR 5 HG22 THR 5 14.711 -4.516 -7.458 37 HG23 THR 5 HG23 THR 5 13.671 -5.940 -7.517 38 H SER 6 HN SER 6 9.609 -4.046 -6.084 39 HA SER 6 HA SER 6 9.249 -6.567 -7.439 40 HB2 SER 6 HB2 SER 6 7.238 -4.778 -6.000 41 HB3 SER 6 HB1 SER 6 6.978 -6.460 -6.469 42 HG SER 6 HG SER 6 9.246 -6.151 -4.985 43 H GLU 7 HN GLU 7 9.724 -5.932 -9.611 44 HA GLU 7 HA GLU 7 7.563 -4.438 -11.004 45 HB2 GLU 7 HB2 GLU 7 10.549 -4.379 -11.648 46 HB3 GLU 7 HB1 GLU 7 9.289 -3.599 -12.599 47 HG2 GLU 7 HG2 GLU 7 8.744 -2.143 -10.680 48 HG3 GLU 7 HG1 GLU 7 10.014 -2.912 -9.732 49 H GLU 8 HN GLU 8 6.435 -6.114 -11.810 50 HA GLU 8 HA GLU 8 7.401 -7.611 -14.052 51 HB2 GLU 8 HB2 GLU 8 7.395 -8.921 -11.385 52 HB3 GLU 8 HB1 GLU 8 6.372 -9.779 -12.524 53 HG2 GLU 8 HG2 GLU 8 9.322 -9.184 -12.812 54 HG3 GLU 8 HG1 GLU 8 8.578 -10.759 -12.534 55 H ASP 9 HN ASP 9 5.442 -9.446 -14.419 56 HA ASP 9 HA ASP 9 2.914 -8.027 -14.527 57 HB2 ASP 9 HB2 ASP 9 3.684 -10.882 -15.287 58 HB3 ASP 9 HB1 ASP 9 2.047 -10.254 -15.443 59 H LEU 10 HN LEU 10 3.219 -7.733 -12.118 60 HA LEU 10 HA LEU 10 2.777 -9.995 -10.374 61 HB2 LEU 10 HB2 LEU 10 3.123 -7.043 -9.789 62 HB3 LEU 10 HB1 LEU 10 2.999 -8.292 -8.555 63 HG LEU 10 HG LEU 10 5.212 -8.137 -10.644 64 HD11 LEU 10 HD11 LEU 10 5.377 -6.279 -9.077 65 HD12 LEU 10 HD12 LEU 10 6.674 -7.440 -8.811 66 HD13 LEU 10 HD13 LEU 10 5.293 -7.398 -7.713 67 HD21 LEU 10 HD21 LEU 10 6.348 -9.870 -9.298 68 HD22 LEU 10 HD22 LEU 10 4.802 -10.459 -9.903 69 HD23 LEU 10 HD23 LEU 10 4.954 -9.961 -8.218 70 H CYS 11 HN CYS 11 1.122 -10.231 -8.923 71 HA CYS 11 HA CYS 11 -1.519 -9.460 -9.622 72 HB2 CYS 11 HB2 CYS 11 -0.969 -11.508 -8.308 73 HB3 CYS 11 HB1 CYS 11 -0.419 -10.502 -6.978 74 HA PRO 12 HA PRO 12 -1.002 -5.233 -7.872 75 HB2 PRO 12 HB2 PRO 12 -3.904 -4.968 -8.581 76 HB3 PRO 12 HB1 PRO 12 -2.534 -3.953 -9.057 77 HG2 PRO 12 HG2 PRO 12 -3.639 -5.604 -10.838 78 HG3 PRO 12 HG1 PRO 12 -1.870 -5.425 -10.773 79 HD2 PRO 12 HD2 PRO 12 -3.590 -7.628 -9.598 80 HD3 PRO 12 HD1 PRO 12 -2.107 -7.768 -10.576 81 H ILE 13 HN ILE 13 -3.024 -7.730 -6.779 82 HA ILE 13 HA ILE 13 -4.076 -6.410 -4.430 83 HB ILE 13 HB ILE 13 -4.079 -9.358 -5.259 84 HG12 ILE 13 HG12 ILE 13 -6.644 -8.890 -5.490 85 HG13 ILE 13 HG11 ILE 13 -6.209 -7.187 -5.477 86 HG21 ILE 13 HG21 ILE 13 -5.735 -9.742 -3.456 87 HG22 ILE 13 HG22 ILE 13 -5.504 -8.083 -2.906 88 HG23 ILE 13 HG23 ILE 13 -4.168 -9.230 -2.823 89 HD11 ILE 13 HD11 ILE 13 -6.570 -8.020 -7.718 90 HD12 ILE 13 HD12 ILE 13 -5.316 -9.239 -7.494 91 HD13 ILE 13 HD13 ILE 13 -4.890 -7.525 -7.510 92 H CYS 14 HN CYS 14 -1.404 -8.638 -5.252 93 HA CYS 14 HA CYS 14 -0.739 -9.002 -2.391 94 HB2 CYS 14 HB2 CYS 14 -0.130 -10.799 -4.759 95 HB3 CYS 14 HB1 CYS 14 0.318 -11.127 -3.084 96 H TYR 15 HN TYR 15 0.809 -8.648 -5.584 97 HA TYR 15 HA TYR 15 2.619 -7.587 -6.367 98 HB2 TYR 15 HB2 TYR 15 3.068 -6.591 -3.525 99 HB3 TYR 15 HB1 TYR 15 4.022 -6.090 -4.918 100 HD1 TYR 15 HD2 TYR 15 2.899 -4.791 -6.793 101 HD2 TYR 15 HD1 TYR 15 0.904 -5.577 -3.092 102 HE1 TYR 15 HE2 TYR 15 1.281 -2.999 -7.270 103 HE2 TYR 15 HE1 TYR 15 -0.711 -3.793 -3.578 104 HH TYR 15 HH TYR 15 -0.849 -1.740 -4.934 105 H ALA 16 HN ALA 16 3.198 -9.503 -3.431 106 HA ALA 16 HA ALA 16 5.972 -9.951 -3.809 107 HB1 ALA 16 HB1 ALA 16 3.969 -11.610 -2.250 108 HB2 ALA 16 HB2 ALA 16 4.858 -10.220 -1.628 109 HB3 ALA 16 HB3 ALA 16 5.725 -11.688 -2.084 110 H HIS 17 HN HIS 17 3.218 -11.382 -5.347 111 HA HIS 17 HA HIS 17 4.915 -13.366 -6.725 112 HB2 HIS 17 HB2 HIS 17 2.162 -13.881 -5.504 113 HB3 HIS 17 HB1 HIS 17 2.927 -14.962 -6.655 114 HD1 HIS 17 HD1 HIS 17 4.682 -16.576 -5.770 115 HD2 HIS 17 HD2 HIS 17 3.330 -13.900 -2.889 116 HE1 HIS 17 HE1 HIS 17 5.558 -17.437 -3.583 117 HE2 HIS 17 HE2 HIS 17 4.738 -15.797 -1.859 118 HA PRO 18 HA PRO 18 3.042 -11.606 -10.361 119 HB2 PRO 18 HB2 PRO 18 3.264 -13.593 -12.200 120 HB3 PRO 18 HB1 PRO 18 4.680 -12.762 -11.537 121 HG2 PRO 18 HG2 PRO 18 3.477 -15.404 -10.707 122 HG3 PRO 18 HG1 PRO 18 5.179 -15.014 -11.041 123 HD2 PRO 18 HD2 PRO 18 4.196 -15.102 -8.506 124 HD3 PRO 18 HD1 PRO 18 5.476 -13.960 -8.973 125 H ILE 19 HN ILE 19 1.553 -12.507 -12.338 126 HA ILE 19 HA ILE 19 -1.051 -13.315 -11.222 127 HB ILE 19 HB ILE 19 -0.208 -12.282 -13.974 128 HG12 ILE 19 HG12 ILE 19 -1.859 -10.893 -11.806 129 HG13 ILE 19 HG11 ILE 19 -0.159 -10.571 -12.132 130 HG21 ILE 19 HG21 ILE 19 -2.138 -13.813 -14.212 131 HG22 ILE 19 HG22 ILE 19 -2.578 -12.150 -14.581 132 HG23 ILE 19 HG23 ILE 19 -3.044 -12.857 -13.035 133 HD11 ILE 19 HD11 ILE 19 -2.458 -10.062 -14.024 134 HD12 ILE 19 HD12 ILE 19 -0.753 -9.744 -14.364 135 HD13 ILE 19 HD13 ILE 19 -1.579 -8.861 -13.080 136 H SER 20 HN SER 20 -2.108 -15.220 -11.942 137 HA SER 20 HA SER 20 -0.838 -16.983 -13.910 138 HB2 SER 20 HB2 SER 20 0.171 -17.569 -11.665 139 HB3 SER 20 HB1 SER 20 -1.441 -17.974 -11.085 140 HG SER 20 HG SER 20 -1.236 -19.366 -13.239 141 H ALA 21 HN ALA 21 -3.503 -15.427 -13.105 142 HA ALA 21 HA ALA 21 -5.319 -17.452 -14.218 143 HB1 ALA 21 HB1 ALA 21 -7.048 -16.998 -12.515 144 HB2 ALA 21 HB2 ALA 21 -5.942 -15.917 -11.660 145 HB3 ALA 21 HB3 ALA 21 -5.584 -17.639 -11.768 146 H VAL 22 HN VAL 22 -6.904 -16.618 -15.489 147 HA VAL 22 HA VAL 22 -7.090 -13.682 -15.833 148 HB VAL 22 HB VAL 22 -5.962 -14.712 -17.774 149 HG11 VAL 22 HG11 VAL 22 -7.092 -16.329 -19.261 150 HG12 VAL 22 HG12 VAL 22 -8.455 -16.414 -18.146 151 HG13 VAL 22 HG13 VAL 22 -6.868 -16.998 -17.642 152 HG21 VAL 22 HG21 VAL 22 -8.780 -13.779 -18.462 153 HG22 VAL 22 HG22 VAL 22 -7.422 -13.838 -19.588 154 HG23 VAL 22 HG23 VAL 22 -7.373 -12.744 -18.204 155 H PHE 23 HN PHE 23 -9.101 -12.823 -15.910 156 HA PHE 23 HA PHE 23 -11.366 -14.518 -15.098 157 HB2 PHE 23 HB2 PHE 23 -11.150 -11.473 -14.939 158 HB3 PHE 23 HB1 PHE 23 -12.380 -12.487 -14.189 159 HD1 PHE 23 HD1 PHE 23 -10.267 -14.646 -13.203 160 HD2 PHE 23 HD2 PHE 23 -10.527 -10.385 -12.860 161 HE1 PHE 23 HE1 PHE 23 -8.932 -14.722 -11.147 162 HE2 PHE 23 HE2 PHE 23 -9.189 -10.482 -10.802 163 HZ PHE 23 HZ PHE 23 -8.389 -12.649 -9.951 164 H GLN 24 HN GLN 24 -11.942 -15.287 -17.108 165 HA GLN 24 HA GLN 24 -12.381 -13.511 -19.352 166 HB2 GLN 24 HB2 GLN 24 -12.232 -16.472 -18.956 167 HB3 GLN 24 HB1 GLN 24 -13.296 -15.941 -20.258 168 HG2 GLN 24 HG2 GLN 24 -11.492 -14.754 -21.335 169 HG3 GLN 24 HG1 GLN 24 -10.395 -15.094 -19.994 170 HE21 GLN 24 HE21 GLN 24 -9.512 -17.160 -19.806 171 HE22 GLN 24 HE22 GLN 24 -9.581 -18.323 -21.081 172 HA PRO 25 HA PRO 25 -13.401 -13.397 -21.149 173 HB2 PRO 25 HB2 PRO 25 -15.287 -12.407 -22.751 174 HB3 PRO 25 HB1 PRO 25 -15.295 -14.125 -22.325 175 HG2 PRO 25 HG2 PRO 25 -17.056 -11.921 -21.336 176 HG3 PRO 25 HG1 PRO 25 -17.424 -13.642 -21.559 177 HD2 PRO 25 HD2 PRO 25 -16.639 -12.302 -19.122 178 HD3 PRO 25 HD1 PRO 25 -16.963 -14.031 -19.348 179 H CYS 26 HN CYS 26 -13.912 -11.525 -18.702 180 HA CYS 26 HA CYS 26 -14.198 -8.870 -19.739 181 HB2 CYS 26 HB2 CYS 26 -14.732 -9.472 -17.368 182 HB3 CYS 26 HB1 CYS 26 -13.006 -9.667 -17.053 183 H GLY 27 HN GLY 27 -11.384 -10.748 -18.587 184 HA2 GLY 27 HA2 GLY 27 -9.313 -10.726 -19.802 185 HA3 GLY 27 HA1 GLY 27 -9.590 -9.046 -20.227 186 H HIS 28 HN HIS 28 -10.474 -8.834 -17.177 187 HA HIS 28 HA HIS 28 -8.011 -7.911 -16.119 188 HB2 HIS 28 HB2 HIS 28 -10.744 -8.387 -14.911 189 HB3 HIS 28 HB1 HIS 28 -9.384 -8.096 -13.827 190 HD2 HIS 28 HD2 HIS 28 -7.863 -5.671 -14.984 191 HE1 HIS 28 HE1 HIS 28 -11.609 -3.792 -15.495 192 HE2 HIS 28 HE2 HIS 28 -9.117 -3.433 -15.293 193 H LYS 29 HN LYS 29 -6.664 -8.801 -14.496 194 HA LYS 29 HA LYS 29 -6.666 -11.751 -14.305 195 HB2 LYS 29 HB2 LYS 29 -4.332 -10.031 -15.265 196 HB3 LYS 29 HB1 LYS 29 -4.274 -11.765 -14.983 197 HG2 LYS 29 HG2 LYS 29 -5.801 -12.175 -16.822 198 HG3 LYS 29 HG1 LYS 29 -6.035 -10.441 -17.056 199 HD2 LYS 29 HD2 LYS 29 -3.618 -10.225 -17.639 200 HD3 LYS 29 HD1 LYS 29 -3.441 -11.976 -17.477 201 HE2 LYS 29 HE2 LYS 29 -5.008 -12.334 -19.312 202 HE3 LYS 29 HE1 LYS 29 -5.305 -10.600 -19.441 203 HZ1 LYS 29 HZ1 LYS 29 -2.695 -11.917 -19.903 204 HZ2 LYS 29 HZ2 LYS 29 -3.046 -10.278 -20.118 205 HZ3 LYS 29 HZ3 LYS 29 -3.770 -11.436 -21.115 206 H SER 30 HN SER 30 -5.477 -12.586 -12.593 207 HA SER 30 HA SER 30 -3.965 -10.962 -10.739 208 HB2 SER 30 HB2 SER 30 -6.269 -10.463 -9.963 209 HB3 SER 30 HB1 SER 30 -6.626 -12.183 -9.860 210 HG SER 30 HG SER 30 -6.128 -11.442 -7.831 211 H CYS 31 HN CYS 31 -3.312 -12.469 -8.788 212 HA CYS 31 HA CYS 31 -2.217 -14.887 -9.836 213 HB2 CYS 31 HB2 CYS 31 -1.219 -15.241 -7.713 214 HB3 CYS 31 HB1 CYS 31 -1.255 -13.494 -7.899 215 H LYS 32 HN LYS 32 -2.738 -17.036 -9.281 216 HA LYS 32 HA LYS 32 -5.479 -17.609 -9.488 217 HB2 LYS 32 HB2 LYS 32 -3.674 -18.995 -10.452 218 HB3 LYS 32 HB1 LYS 32 -3.166 -19.470 -8.835 219 HG2 LYS 32 HG2 LYS 32 -5.261 -20.680 -8.487 220 HG3 LYS 32 HG1 LYS 32 -5.891 -20.096 -10.030 221 HD2 LYS 32 HD2 LYS 32 -5.108 -22.424 -10.225 222 HD3 LYS 32 HD1 LYS 32 -4.153 -21.346 -11.243 223 HE2 LYS 32 HE2 LYS 32 -2.362 -21.340 -9.505 224 HE3 LYS 32 HE1 LYS 32 -3.320 -22.469 -8.543 225 HZ1 LYS 32 HZ1 LYS 32 -3.197 -24.032 -10.409 226 HZ2 LYS 32 HZ2 LYS 32 -1.671 -23.645 -9.789 227 HZ3 LYS 32 HZ3 LYS 32 -2.191 -22.953 -11.239 228 H ALA 33 HN ALA 33 -3.372 -17.401 -6.699 229 HA ALA 33 HA ALA 33 -4.859 -18.828 -4.782 230 HB1 ALA 33 HB1 ALA 33 -3.543 -17.596 -3.112 231 HB2 ALA 33 HB2 ALA 33 -3.023 -16.446 -4.348 232 HB3 ALA 33 HB3 ALA 33 -2.521 -18.133 -4.446 233 H CYS 34 HN CYS 34 -4.999 -15.391 -5.748 234 HA CYS 34 HA CYS 34 -6.800 -14.396 -3.865 235 HB2 CYS 34 HB2 CYS 34 -6.065 -13.531 -6.655 236 HB3 CYS 34 HB1 CYS 34 -7.491 -12.810 -5.921 237 H ILE 35 HN ILE 35 -7.528 -15.701 -7.121 238 HA ILE 35 HA ILE 35 -10.356 -15.341 -6.793 239 HB ILE 35 HB ILE 35 -9.374 -15.064 -9.007 240 HG12 ILE 35 HG12 ILE 35 -10.974 -16.413 -10.360 241 HG13 ILE 35 HG11 ILE 35 -11.267 -17.471 -8.983 242 HG21 ILE 35 HG21 ILE 35 -8.642 -18.009 -8.940 243 HG22 ILE 35 HG22 ILE 35 -7.523 -16.642 -8.902 244 HG23 ILE 35 HG23 ILE 35 -8.497 -16.944 -10.343 245 HD11 ILE 35 HD11 ILE 35 -11.937 -14.527 -9.110 246 HD12 ILE 35 HD12 ILE 35 -12.284 -15.616 -7.764 247 HD13 ILE 35 HD13 ILE 35 -13.067 -15.864 -9.324 248 H ASN 36 HN ASN 36 -8.137 -18.086 -6.484 249 HA ASN 36 HA ASN 36 -9.928 -20.234 -6.325 250 HB2 ASN 36 HB2 ASN 36 -7.478 -20.526 -6.415 251 HB3 ASN 36 HB1 ASN 36 -7.306 -19.818 -4.817 252 HD21 ASN 36 HD21 ASN 36 -7.857 -21.065 -2.983 253 HD22 ASN 36 HD22 ASN 36 -8.090 -22.776 -3.084 254 H GLN 37 HN GLN 37 -8.705 -18.106 -3.766 255 HA GLN 37 HA GLN 37 -10.228 -19.112 -1.599 256 HB2 GLN 37 HB2 GLN 37 -8.178 -17.749 -1.333 257 HB3 GLN 37 HB1 GLN 37 -8.984 -16.369 -2.068 258 HG2 GLN 37 HG2 GLN 37 -10.562 -16.304 -0.143 259 HG3 GLN 37 HG1 GLN 37 -9.689 -17.647 0.598 260 HE21 GLN 37 HE21 GLN 37 -7.570 -17.280 1.400 261 HE22 GLN 37 HE22 GLN 37 -6.991 -15.683 1.717 262 H HIS 38 HN HIS 38 -10.797 -16.612 -4.020 263 HA HIS 38 HA HIS 38 -13.023 -15.364 -2.719 264 HB2 HIS 38 HB2 HIS 38 -11.452 -14.149 -4.207 265 HB3 HIS 38 HB1 HIS 38 -12.043 -15.069 -5.583 266 HD2 HIS 38 HD2 HIS 38 -13.976 -13.760 -6.948 267 HE1 HIS 38 HE1 HIS 38 -15.169 -11.159 -3.830 268 HE2 HIS 38 HE2 HIS 38 -15.309 -11.638 -6.305 269 H LEU 39 HN LEU 39 -12.755 -18.046 -4.969 270 HA LEU 39 HA LEU 39 -15.296 -17.907 -6.199 271 HB2 LEU 39 HB2 LEU 39 -13.419 -20.231 -5.717 272 HB3 LEU 39 HB1 LEU 39 -14.948 -20.447 -6.557 273 HG LEU 39 HG LEU 39 -12.702 -18.604 -7.486 274 HD11 LEU 39 HD11 LEU 39 -13.520 -21.303 -8.592 275 HD12 LEU 39 HD12 LEU 39 -12.032 -20.940 -7.716 276 HD13 LEU 39 HD13 LEU 39 -12.321 -20.215 -9.297 277 HD21 LEU 39 HD21 LEU 39 -14.005 -18.356 -9.565 278 HD22 LEU 39 HD22 LEU 39 -14.906 -17.757 -8.172 279 HD23 LEU 39 HD23 LEU 39 -15.308 -19.327 -8.873 280 H MET 40 HN MET 40 -14.375 -18.928 -3.036 281 HA MET 40 HA MET 40 -16.795 -20.315 -2.332 282 HB2 MET 40 HB2 MET 40 -14.656 -19.049 -0.562 283 HB3 MET 40 HB1 MET 40 -15.919 -20.151 -0.006 284 HG2 MET 40 HG2 MET 40 -13.719 -20.836 -1.978 285 HG3 MET 40 HG1 MET 40 -13.773 -21.312 -0.276 286 HE1 MET 40 HE1 MET 40 -14.513 -24.590 -2.509 287 HE2 MET 40 HE2 MET 40 -13.295 -23.794 -1.511 288 HE3 MET 40 HE3 MET 40 -13.637 -23.191 -3.134 289 H ASN 41 HN ASN 41 -15.680 -16.997 -2.276 290 HA ASN 41 HA ASN 41 -17.941 -15.930 -0.779 291 HB2 ASN 41 HB2 ASN 41 -15.837 -14.361 -2.357 292 HB3 ASN 41 HB1 ASN 41 -16.861 -13.757 -1.058 293 HD21 ASN 41 HD21 ASN 41 -13.945 -13.701 -1.327 294 HD22 ASN 41 HD22 ASN 41 -13.316 -14.499 0.076 295 H ASN 42 HN ASN 42 -16.616 -14.921 -3.946 296 HA ASN 42 HA ASN 42 -19.217 -15.055 -5.301 297 HB2 ASN 42 HB2 ASN 42 -17.516 -12.532 -4.989 298 HB3 ASN 42 HB1 ASN 42 -18.796 -12.683 -6.184 299 HD21 ASN 42 HD21 ASN 42 -18.375 -10.966 -3.728 300 HD22 ASN 42 HD22 ASN 42 -19.848 -11.130 -2.843 301 H LYS 43 HN LYS 43 -18.529 -13.882 -7.663 302 HA LYS 43 HA LYS 43 -15.901 -14.802 -8.548 303 HB2 LYS 43 HB2 LYS 43 -16.817 -15.845 -10.624 304 HB3 LYS 43 HB1 LYS 43 -17.253 -16.731 -9.174 305 HG2 LYS 43 HG2 LYS 43 -19.103 -14.883 -10.717 306 HG3 LYS 43 HG1 LYS 43 -19.061 -16.638 -10.884 307 HD2 LYS 43 HD2 LYS 43 -19.748 -16.858 -8.496 308 HD3 LYS 43 HD1 LYS 43 -19.809 -15.099 -8.364 309 HE2 LYS 43 HE2 LYS 43 -22.062 -15.974 -8.690 310 HE3 LYS 43 HE1 LYS 43 -21.576 -15.054 -10.115 311 HZ1 LYS 43 HZ1 LYS 43 -21.404 -18.009 -9.896 312 HZ2 LYS 43 HZ2 LYS 43 -21.138 -17.077 -11.281 313 HZ3 LYS 43 HZ3 LYS 43 -22.688 -17.177 -10.614 314 H ASP 44 HN ASP 44 -15.350 -12.659 -8.589 315 HA ASP 44 HA ASP 44 -16.117 -11.216 -10.987 316 HB2 ASP 44 HB2 ASP 44 -16.673 -9.107 -9.837 317 HB3 ASP 44 HB1 ASP 44 -17.790 -10.383 -9.384 318 H CYS 45 HN CYS 45 -14.740 -9.367 -11.417 319 HA CYS 45 HA CYS 45 -11.988 -9.731 -10.973 320 HB2 CYS 45 HB2 CYS 45 -13.480 -7.194 -11.750 321 HB3 CYS 45 HB1 CYS 45 -11.750 -7.434 -11.900 322 H PHE 46 HN PHE 46 -10.599 -8.842 -9.439 323 HA PHE 46 HA PHE 46 -11.633 -7.489 -7.078 324 HB2 PHE 46 HB2 PHE 46 -8.740 -8.099 -7.864 325 HB3 PHE 46 HB1 PHE 46 -9.312 -7.648 -6.260 326 HD1 PHE 46 HD1 PHE 46 -10.700 -9.249 -4.926 327 HD2 PHE 46 HD2 PHE 46 -8.945 -10.377 -8.662 328 HE1 PHE 46 HE1 PHE 46 -11.064 -11.623 -4.392 329 HE2 PHE 46 HE2 PHE 46 -9.305 -12.745 -8.106 330 HZ PHE 46 HZ PHE 46 -10.356 -13.365 -5.978 331 H PHE 47 HN PHE 47 -11.888 -6.062 -9.652 332 HA PHE 47 HA PHE 47 -10.236 -3.666 -9.294 333 HB2 PHE 47 HB2 PHE 47 -10.506 -5.051 -12.007 334 HB3 PHE 47 HB1 PHE 47 -9.537 -3.631 -11.642 335 HD1 PHE 47 HD1 PHE 47 -7.532 -3.922 -10.041 336 HD2 PHE 47 HD2 PHE 47 -9.554 -7.224 -11.868 337 HE1 PHE 47 HE1 PHE 47 -5.593 -5.368 -9.603 338 HE2 PHE 47 HE2 PHE 47 -7.604 -8.656 -11.433 339 HZ PHE 47 HZ PHE 47 -5.625 -7.730 -10.294 340 H CYS 48 HN CYS 48 -12.337 -4.841 -11.952 341 HA CYS 48 HA CYS 48 -13.991 -2.422 -11.767 342 HB2 CYS 48 HB2 CYS 48 -14.542 -2.751 -14.026 343 HB3 CYS 48 HB1 CYS 48 -12.908 -3.405 -13.960 344 H LYS 49 HN LYS 49 -14.098 -5.474 -10.498 345 HA LYS 49 HA LYS 49 -15.592 -6.740 -9.410 346 HB2 LYS 49 HB2 LYS 49 -17.474 -4.368 -9.678 347 HB3 LYS 49 HB1 LYS 49 -17.651 -5.696 -8.539 348 HG2 LYS 49 HG2 LYS 49 -15.623 -4.989 -7.358 349 HG3 LYS 49 HG1 LYS 49 -15.356 -3.710 -8.544 350 HD2 LYS 49 HD2 LYS 49 -17.723 -3.896 -6.632 351 HD3 LYS 49 HD1 LYS 49 -16.333 -2.829 -6.448 352 HE2 LYS 49 HE2 LYS 49 -18.016 -1.427 -7.329 353 HE3 LYS 49 HE1 LYS 49 -17.032 -1.821 -8.734 354 HZ1 LYS 49 HZ1 LYS 49 -19.581 -3.174 -8.015 355 HZ2 LYS 49 HZ2 LYS 49 -18.673 -3.430 -9.414 356 HZ3 LYS 49 HZ3 LYS 49 -19.428 -1.946 -9.164 357 H THR 50 HN THR 50 -15.904 -6.339 -12.600 358 HA THR 50 HA THR 50 -18.505 -7.212 -13.259 359 HB THR 50 HB THR 50 -15.876 -7.514 -14.774 360 HG1 THR 50 HG1 THR 50 -18.020 -5.648 -14.998 361 HG21 THR 50 HG21 THR 50 -18.701 -7.914 -15.833 362 HG22 THR 50 HG22 THR 50 -17.470 -9.170 -15.672 363 HG23 THR 50 HG23 THR 50 -17.242 -7.848 -16.820 364 H THR 51 HN THR 51 -19.452 -9.155 -13.121 365 HA THR 51 HA THR 51 -18.407 -11.370 -11.801 366 HB THR 51 HB THR 51 -20.762 -11.306 -13.739 367 HG1 THR 51 HG1 THR 51 -20.589 -10.892 -10.919 368 HG21 THR 51 HG21 THR 51 -20.079 -13.325 -11.534 369 HG22 THR 51 HG22 THR 51 -20.106 -13.645 -13.271 370 HG23 THR 51 HG23 THR 51 -21.606 -13.273 -12.422 371 H ILE 52 HN ILE 52 -17.374 -13.174 -12.421 372 HA ILE 52 HA ILE 52 -16.128 -13.273 -15.046 373 HB ILE 52 HB ILE 52 -15.709 -15.167 -12.691 374 HG12 ILE 52 HG12 ILE 52 -14.080 -12.654 -13.320 375 HG13 ILE 52 HG11 ILE 52 -15.294 -12.744 -12.048 376 HG21 ILE 52 HG21 ILE 52 -13.510 -15.592 -13.770 377 HG22 ILE 52 HG22 ILE 52 -13.951 -14.516 -15.096 378 HG23 ILE 52 HG23 ILE 52 -14.851 -16.012 -14.836 379 HD11 ILE 52 HD11 ILE 52 -12.770 -14.384 -12.194 380 HD12 ILE 52 HD12 ILE 52 -13.984 -14.458 -10.911 381 HD13 ILE 52 HD13 ILE 52 -13.058 -12.979 -11.170 382 H VAL 53 HN VAL 53 -17.018 -14.440 -16.663 383 HA VAL 53 HA VAL 53 -19.162 -16.341 -16.211 384 HB VAL 53 HB VAL 53 -17.754 -15.575 -18.815 385 HG11 VAL 53 HG11 VAL 53 -18.928 -17.726 -19.036 386 HG12 VAL 53 HG12 VAL 53 -19.762 -16.474 -19.957 387 HG13 VAL 53 HG13 VAL 53 -20.410 -17.004 -18.403 388 HG21 VAL 53 HG21 VAL 53 -20.346 -14.477 -17.637 389 HG22 VAL 53 HG22 VAL 53 -19.682 -14.063 -19.218 390 HG23 VAL 53 HG23 VAL 53 -18.814 -13.608 -17.752 391 H SER 54 HN SER 54 -15.717 -16.464 -17.109 392 HA SER 54 HA SER 54 -15.621 -19.283 -16.294 393 HB2 SER 54 HB2 SER 54 -15.886 -19.345 -18.766 394 HB3 SER 54 HB1 SER 54 -14.489 -18.286 -18.955 395 HG SER 54 HG SER 54 -13.827 -20.394 -19.243 396 H VAL 55 HN VAL 55 -13.892 -19.646 -15.024 397 HA VAL 55 HA VAL 55 -11.718 -17.646 -14.851 398 HB VAL 55 HB VAL 55 -12.318 -19.950 -12.922 399 HG11 VAL 55 HG11 VAL 55 -10.394 -17.599 -12.634 400 HG12 VAL 55 HG12 VAL 55 -9.941 -19.285 -12.878 401 HG13 VAL 55 HG13 VAL 55 -10.735 -18.797 -11.380 402 HG21 VAL 55 HG21 VAL 55 -13.203 -18.247 -11.358 403 HG22 VAL 55 HG22 VAL 55 -14.143 -18.287 -12.852 404 HG23 VAL 55 HG23 VAL 55 -12.972 -16.996 -12.585 405 H GLU 56 HN GLU 56 -10.089 -18.130 -16.186 406 HA GLU 56 HA GLU 56 -9.086 -20.919 -16.303 407 HB2 GLU 56 HB2 GLU 56 -9.004 -18.778 -18.473 408 HB3 GLU 56 HB1 GLU 56 -8.052 -20.260 -18.530 409 HG2 GLU 56 HG2 GLU 56 -10.268 -21.530 -18.330 410 HG3 GLU 56 HG1 GLU 56 -11.067 -19.987 -18.645 411 H ASP 57 HN ASP 57 -6.662 -20.734 -17.163 412 HA ASP 57 HA ASP 57 -5.212 -19.110 -15.175 413 HB2 ASP 57 HB2 ASP 57 -4.311 -21.519 -16.815 414 HB3 ASP 57 HB1 ASP 57 -3.317 -20.671 -15.633 415 H TRP 58 HN TRP 58 -3.083 -18.271 -15.890 416 HA TRP 58 HA TRP 58 -2.895 -17.529 -18.732 417 HB2 TRP 58 HB2 TRP 58 -4.103 -15.653 -17.629 418 HB3 TRP 58 HB1 TRP 58 -2.823 -15.509 -16.429 419 HD1 TRP 58 HD1 TRP 58 -3.232 -15.178 -20.292 420 HE1 TRP 58 HE1 TRP 58 -1.592 -13.384 -21.120 421 HE3 TRP 58 HE3 TRP 58 -0.888 -14.114 -15.870 422 HZ2 TRP 58 HZ2 TRP 58 0.416 -11.733 -20.044 423 HZ3 TRP 58 HZ3 TRP 58 0.880 -12.401 -15.851 424 HH2 TRP 58 HH2 TRP 58 1.523 -11.237 -17.905 425 H GLU 59 HN GLU 59 -0.973 -18.348 -19.259 426 HA GLU 59 HA GLU 59 1.221 -18.604 -17.383 427 HB2 GLU 59 HB2 GLU 59 0.999 -19.264 -20.351 428 HB3 GLU 59 HB1 GLU 59 2.480 -19.489 -19.432 429 HG2 GLU 59 HG2 GLU 59 1.445 -21.620 -19.584 430 HG3 GLU 59 HG1 GLU 59 1.211 -21.076 -17.926 431 H LYS 60 HN LYS 60 3.230 -17.632 -17.574 432 HA LYS 60 HA LYS 60 3.792 -15.493 -19.450 433 HB2 LYS 60 HB2 LYS 60 2.399 -14.540 -17.444 434 HB3 LYS 60 HB1 LYS 60 3.831 -14.827 -16.470 435 HG2 LYS 60 HG2 LYS 60 3.792 -13.051 -18.935 436 HG3 LYS 60 HG1 LYS 60 3.502 -12.448 -17.308 437 HD2 LYS 60 HD2 LYS 60 6.075 -13.728 -18.319 438 HD3 LYS 60 HD1 LYS 60 5.809 -12.007 -18.020 439 HE2 LYS 60 HE2 LYS 60 5.491 -12.473 -15.614 440 HE3 LYS 60 HE1 LYS 60 5.730 -14.198 -15.913 441 HZ1 LYS 60 HZ1 LYS 60 7.962 -13.693 -16.715 442 HZ2 LYS 60 HZ2 LYS 60 7.739 -13.198 -15.112 443 HZ3 LYS 60 HZ3 LYS 60 7.728 -12.053 -16.353 444 H GLY 61 HN GLY 61 5.980 -15.626 -19.854 445 HA2 GLY 61 HA2 GLY 61 7.652 -17.574 -18.516 446 HA3 GLY 61 HA1 GLY 61 8.102 -16.511 -19.848 Start of MODEL 17 1 H1 SER 1 HT1 SER 1 5.020 0.516 -1.884 2 H2 SER 1 HT2 SER 1 3.358 0.634 -2.165 3 H3 SER 1 HT3 SER 1 4.452 1.286 -3.279 4 HA SER 1 HA SER 1 4.161 -1.566 -2.610 5 HB2 SER 1 HB2 SER 1 3.274 -1.702 -5.004 6 HB3 SER 1 HB1 SER 1 2.216 -0.873 -3.861 7 HG SER 1 HG SER 1 2.426 0.262 -5.825 8 H HIS 2 HN HIS 2 5.761 -2.852 -3.383 9 HA HIS 2 HA HIS 2 7.861 -1.775 -5.166 10 HB2 HIS 2 HB2 HIS 2 8.363 -3.212 -2.509 11 HB3 HIS 2 HB1 HIS 2 9.614 -2.835 -3.690 12 HD2 HIS 2 HD2 HIS 2 10.492 -0.199 -3.725 13 HE1 HIS 2 HE1 HIS 2 8.207 1.001 -0.372 14 HE2 HIS 2 HE2 HIS 2 10.213 1.527 -1.811 15 H MET 3 HN MET 3 9.419 -3.682 -5.707 16 HA MET 3 HA MET 3 7.963 -6.167 -6.289 17 HB2 MET 3 HB2 MET 3 10.688 -5.138 -7.214 18 HB3 MET 3 HB1 MET 3 10.029 -6.710 -7.656 19 HG2 MET 3 HG2 MET 3 9.745 -5.121 -9.475 20 HG3 MET 3 HG1 MET 3 8.173 -5.592 -8.831 21 HE1 MET 3 HE1 MET 3 7.440 -1.897 -9.860 22 HE2 MET 3 HE2 MET 3 6.903 -3.573 -9.966 23 HE3 MET 3 HE3 MET 3 8.410 -3.078 -10.738 24 HA PRO 4 HA PRO 4 10.221 -7.144 -2.388 25 HB2 PRO 4 HB2 PRO 4 8.335 -8.605 -1.150 26 HB3 PRO 4 HB1 PRO 4 8.110 -6.867 -1.395 27 HG2 PRO 4 HG2 PRO 4 6.902 -9.168 -2.900 28 HG3 PRO 4 HG1 PRO 4 6.168 -7.622 -2.433 29 HD2 PRO 4 HD2 PRO 4 7.267 -8.237 -4.970 30 HD3 PRO 4 HD1 PRO 4 6.862 -6.612 -4.377 31 H THR 5 HN THR 5 9.935 -8.994 -5.033 32 HA THR 5 HA THR 5 11.494 -11.194 -3.906 33 HB THR 5 HB THR 5 8.986 -11.692 -5.575 34 HG1 THR 5 HG1 THR 5 9.516 -11.733 -2.857 35 HG21 THR 5 HG21 THR 5 10.744 -13.315 -6.183 36 HG22 THR 5 HG22 THR 5 9.470 -14.112 -5.260 37 HG23 THR 5 HG23 THR 5 10.999 -13.704 -4.482 38 H SER 6 HN SER 6 9.939 -10.849 -7.099 39 HA SER 6 HA SER 6 12.245 -9.925 -8.525 40 HB2 SER 6 HB2 SER 6 11.505 -12.895 -8.781 41 HB3 SER 6 HB1 SER 6 12.561 -12.042 -9.905 42 HG SER 6 HG SER 6 13.573 -13.280 -8.130 43 H GLU 7 HN GLU 7 11.833 -10.006 -10.928 44 HA GLU 7 HA GLU 7 10.680 -9.898 -12.847 45 HB2 GLU 7 HB2 GLU 7 8.710 -11.712 -11.395 46 HB3 GLU 7 HB1 GLU 7 8.597 -11.336 -13.110 47 HG2 GLU 7 HG2 GLU 7 10.854 -12.355 -13.449 48 HG3 GLU 7 HG1 GLU 7 10.877 -12.797 -11.742 49 H GLU 8 HN GLU 8 8.327 -9.518 -13.777 50 HA GLU 8 HA GLU 8 7.029 -7.257 -12.370 51 HB2 GLU 8 HB2 GLU 8 6.502 -6.338 -14.599 52 HB3 GLU 8 HB1 GLU 8 8.241 -6.524 -14.406 53 HG2 GLU 8 HG2 GLU 8 8.196 -8.567 -15.774 54 HG3 GLU 8 HG1 GLU 8 6.443 -8.443 -15.921 55 H ASP 9 HN ASP 9 4.766 -7.133 -14.123 56 HA ASP 9 HA ASP 9 2.625 -7.855 -14.217 57 HB2 ASP 9 HB2 ASP 9 4.075 -10.486 -14.701 58 HB3 ASP 9 HB1 ASP 9 2.316 -10.411 -14.719 59 H LEU 10 HN LEU 10 3.894 -7.637 -11.628 60 HA LEU 10 HA LEU 10 3.294 -9.804 -9.914 61 HB2 LEU 10 HB2 LEU 10 3.735 -6.880 -9.224 62 HB3 LEU 10 HB1 LEU 10 3.742 -8.207 -8.076 63 HG LEU 10 HG LEU 10 5.769 -7.690 -10.278 64 HD11 LEU 10 HD11 LEU 10 6.076 -7.761 -7.262 65 HD12 LEU 10 HD12 LEU 10 6.069 -6.315 -8.274 66 HD13 LEU 10 HD13 LEU 10 7.374 -7.488 -8.430 67 HD21 LEU 10 HD21 LEU 10 5.382 -10.123 -10.174 68 HD22 LEU 10 HD22 LEU 10 5.645 -10.111 -8.429 69 HD23 LEU 10 HD23 LEU 10 6.970 -9.722 -9.528 70 H CYS 11 HN CYS 11 1.483 -10.389 -8.929 71 HA CYS 11 HA CYS 11 -1.070 -9.572 -9.587 72 HB2 CYS 11 HB2 CYS 11 -0.583 -11.728 -8.482 73 HB3 CYS 11 HB1 CYS 11 -0.106 -10.896 -7.006 74 HA PRO 12 HA PRO 12 -0.942 -5.429 -7.713 75 HB2 PRO 12 HB2 PRO 12 -3.919 -5.499 -8.168 76 HB3 PRO 12 HB1 PRO 12 -2.732 -4.291 -8.680 77 HG2 PRO 12 HG2 PRO 12 -3.729 -5.999 -10.464 78 HG3 PRO 12 HG1 PRO 12 -2.001 -5.584 -10.497 79 HD2 PRO 12 HD2 PRO 12 -3.330 -8.069 -9.414 80 HD3 PRO 12 HD1 PRO 12 -1.852 -7.917 -10.391 81 H ILE 13 HN ILE 13 -2.795 -8.028 -6.488 82 HA ILE 13 HA ILE 13 -3.628 -6.728 -4.027 83 HB ILE 13 HB ILE 13 -3.871 -9.679 -4.807 84 HG12 ILE 13 HG12 ILE 13 -6.406 -9.023 -5.127 85 HG13 ILE 13 HG11 ILE 13 -5.824 -7.373 -5.273 86 HG21 ILE 13 HG21 ILE 13 -5.266 -8.104 -2.603 87 HG22 ILE 13 HG22 ILE 13 -3.999 -9.313 -2.386 88 HG23 ILE 13 HG23 ILE 13 -5.577 -9.795 -3.008 89 HD11 ILE 13 HD11 ILE 13 -5.067 -9.676 -7.068 90 HD12 ILE 13 HD12 ILE 13 -4.527 -8.004 -7.244 91 HD13 ILE 13 HD13 ILE 13 -6.233 -8.407 -7.436 92 H CYS 14 HN CYS 14 -1.203 -9.081 -5.156 93 HA CYS 14 HA CYS 14 -0.317 -9.673 -2.404 94 HB2 CYS 14 HB2 CYS 14 0.153 -11.185 -4.994 95 HB3 CYS 14 HB1 CYS 14 0.739 -11.690 -3.408 96 H TYR 15 HN TYR 15 1.103 -9.167 -5.625 97 HA TYR 15 HA TYR 15 2.910 -8.162 -6.452 98 HB2 TYR 15 HB2 TYR 15 3.376 -7.099 -3.645 99 HB3 TYR 15 HB1 TYR 15 4.435 -6.720 -4.998 100 HD1 TYR 15 HD1 TYR 15 3.508 -5.415 -6.970 101 HD2 TYR 15 HD2 TYR 15 1.275 -5.909 -3.357 102 HE1 TYR 15 HE1 TYR 15 2.073 -3.518 -7.584 103 HE2 TYR 15 HE2 TYR 15 -0.150 -4.017 -3.979 104 HH TYR 15 HH TYR 15 -0.254 -2.711 -7.041 105 H ALA 16 HN ALA 16 3.427 -10.228 -3.624 106 HA ALA 16 HA ALA 16 6.183 -10.679 -3.874 107 HB1 ALA 16 HB1 ALA 16 4.078 -12.597 -2.831 108 HB2 ALA 16 HB2 ALA 16 4.884 -11.343 -1.892 109 HB3 ALA 16 HB3 ALA 16 5.817 -12.700 -2.526 110 H HIS 17 HN HIS 17 3.464 -12.182 -5.523 111 HA HIS 17 HA HIS 17 5.268 -13.581 -7.407 112 HB2 HIS 17 HB2 HIS 17 2.734 -14.640 -6.085 113 HB3 HIS 17 HB1 HIS 17 3.307 -15.300 -7.608 114 HD1 HIS 17 HD1 HIS 17 3.929 -17.592 -6.840 115 HD2 HIS 17 HD2 HIS 17 5.673 -14.656 -4.480 116 HE1 HIS 17 HE1 HIS 17 5.522 -18.798 -5.327 117 HE2 HIS 17 HE2 HIS 17 6.610 -16.998 -3.958 118 HA PRO 18 HA PRO 18 2.892 -11.382 -10.500 119 HB2 PRO 18 HB2 PRO 18 3.308 -12.841 -12.733 120 HB3 PRO 18 HB1 PRO 18 4.637 -12.000 -11.922 121 HG2 PRO 18 HG2 PRO 18 3.834 -14.902 -11.724 122 HG3 PRO 18 HG1 PRO 18 5.453 -14.210 -11.977 123 HD2 PRO 18 HD2 PRO 18 4.548 -15.027 -9.521 124 HD3 PRO 18 HD1 PRO 18 5.720 -13.705 -9.717 125 H ILE 19 HN ILE 19 1.516 -12.312 -12.683 126 HA ILE 19 HA ILE 19 -1.037 -13.133 -11.625 127 HB ILE 19 HB ILE 19 -0.057 -12.624 -14.471 128 HG12 ILE 19 HG12 ILE 19 -1.829 -10.810 -12.756 129 HG13 ILE 19 HG11 ILE 19 -0.081 -10.643 -12.825 130 HG21 ILE 19 HG21 ILE 19 -2.437 -12.515 -15.153 131 HG22 ILE 19 HG22 ILE 19 -2.928 -13.012 -13.532 132 HG23 ILE 19 HG23 ILE 19 -2.008 -14.117 -14.553 133 HD11 ILE 19 HD11 ILE 19 -1.967 -10.353 -15.155 134 HD12 ILE 19 HD12 ILE 19 -0.213 -10.150 -15.211 135 HD13 ILE 19 HD13 ILE 19 -1.202 -9.043 -14.259 136 H SER 20 HN SER 20 -2.009 -15.124 -11.792 137 HA SER 20 HA SER 20 -0.553 -17.367 -13.072 138 HB2 SER 20 HB2 SER 20 -2.715 -17.558 -10.931 139 HB3 SER 20 HB1 SER 20 -1.627 -18.838 -11.478 140 HG SER 20 HG SER 20 0.094 -17.681 -10.554 141 H ALA 21 HN ALA 21 -3.487 -15.485 -13.081 142 HA ALA 21 HA ALA 21 -4.839 -17.253 -14.977 143 HB1 ALA 21 HB1 ALA 21 -6.830 -17.506 -13.561 144 HB2 ALA 21 HB2 ALA 21 -6.058 -16.591 -12.264 145 HB3 ALA 21 HB3 ALA 21 -5.413 -18.161 -12.742 146 H VAL 22 HN VAL 22 -6.652 -16.298 -15.993 147 HA VAL 22 HA VAL 22 -6.952 -13.367 -15.755 148 HB VAL 22 HB VAL 22 -5.664 -13.838 -17.778 149 HG11 VAL 22 HG11 VAL 22 -6.500 -15.238 -19.639 150 HG12 VAL 22 HG12 VAL 22 -7.902 -15.703 -18.675 151 HG13 VAL 22 HG13 VAL 22 -6.282 -16.192 -18.169 152 HG21 VAL 22 HG21 VAL 22 -7.109 -12.780 -19.499 153 HG22 VAL 22 HG22 VAL 22 -7.280 -11.990 -17.932 154 HG23 VAL 22 HG23 VAL 22 -8.533 -13.096 -18.504 155 H PHE 23 HN PHE 23 -8.962 -12.774 -15.298 156 HA PHE 23 HA PHE 23 -11.201 -14.591 -15.195 157 HB2 PHE 23 HB2 PHE 23 -11.407 -11.565 -14.830 158 HB3 PHE 23 HB1 PHE 23 -12.397 -12.822 -14.097 159 HD1 PHE 23 HD1 PHE 23 -10.513 -14.650 -12.864 160 HD2 PHE 23 HD2 PHE 23 -10.316 -10.389 -13.127 161 HE1 PHE 23 HE1 PHE 23 -9.096 -14.586 -10.864 162 HE2 PHE 23 HE2 PHE 23 -8.902 -10.336 -11.120 163 HZ PHE 23 HZ PHE 23 -8.289 -12.436 -9.989 164 H GLN 24 HN GLN 24 -11.832 -15.194 -17.260 165 HA GLN 24 HA GLN 24 -12.158 -13.114 -19.323 166 HB2 GLN 24 HB2 GLN 24 -11.427 -16.010 -19.390 167 HB3 GLN 24 HB1 GLN 24 -12.462 -15.467 -20.709 168 HG2 GLN 24 HG2 GLN 24 -10.848 -13.710 -21.282 169 HG3 GLN 24 HG1 GLN 24 -9.797 -14.224 -19.960 170 HE21 GLN 24 HE21 GLN 24 -10.960 -14.975 -23.160 171 HE22 GLN 24 HE22 GLN 24 -9.817 -16.225 -23.505 172 HA PRO 25 HA PRO 25 -13.117 -13.412 -21.551 173 HB2 PRO 25 HB2 PRO 25 -14.989 -12.260 -23.056 174 HB3 PRO 25 HB1 PRO 25 -15.046 -14.006 -22.753 175 HG2 PRO 25 HG2 PRO 25 -16.561 -11.805 -21.353 176 HG3 PRO 25 HG1 PRO 25 -17.194 -13.315 -22.044 177 HD2 PRO 25 HD2 PRO 25 -16.578 -13.009 -19.370 178 HD3 PRO 25 HD1 PRO 25 -16.525 -14.574 -20.205 179 H CYS 26 HN CYS 26 -13.692 -11.631 -18.969 180 HA CYS 26 HA CYS 26 -13.929 -8.965 -19.891 181 HB2 CYS 26 HB2 CYS 26 -14.511 -9.532 -17.583 182 HB3 CYS 26 HB1 CYS 26 -12.832 -9.954 -17.240 183 H GLY 27 HN GLY 27 -11.005 -10.498 -18.413 184 HA2 GLY 27 HA2 GLY 27 -8.941 -10.413 -19.798 185 HA3 GLY 27 HA1 GLY 27 -9.307 -8.724 -20.103 186 H HIS 28 HN HIS 28 -10.199 -8.605 -17.093 187 HA HIS 28 HA HIS 28 -7.747 -7.795 -15.925 188 HB2 HIS 28 HB2 HIS 28 -10.442 -8.448 -14.686 189 HB3 HIS 28 HB1 HIS 28 -9.057 -8.035 -13.674 190 HD2 HIS 28 HD2 HIS 28 -7.843 -5.461 -14.933 191 HE1 HIS 28 HE1 HIS 28 -11.788 -3.984 -15.090 192 HE2 HIS 28 HE2 HIS 28 -9.343 -3.397 -15.324 193 H LYS 29 HN LYS 29 -6.584 -8.768 -14.187 194 HA LYS 29 HA LYS 29 -6.498 -11.711 -14.248 195 HB2 LYS 29 HB2 LYS 29 -4.137 -9.870 -14.844 196 HB3 LYS 29 HB1 LYS 29 -4.092 -11.627 -14.780 197 HG2 LYS 29 HG2 LYS 29 -5.470 -11.790 -16.768 198 HG3 LYS 29 HG1 LYS 29 -5.707 -10.044 -16.789 199 HD2 LYS 29 HD2 LYS 29 -3.173 -9.844 -17.066 200 HD3 LYS 29 HD1 LYS 29 -3.160 -11.586 -17.353 201 HE2 LYS 29 HE2 LYS 29 -4.503 -11.347 -19.331 202 HE3 LYS 29 HE1 LYS 29 -4.843 -9.652 -18.975 203 HZ1 LYS 29 HZ1 LYS 29 -3.166 -9.873 -20.680 204 HZ2 LYS 29 HZ2 LYS 29 -2.187 -10.775 -19.640 205 HZ3 LYS 29 HZ3 LYS 29 -2.510 -9.155 -19.292 206 H SER 30 HN SER 30 -5.061 -12.599 -12.679 207 HA SER 30 HA SER 30 -3.748 -11.201 -10.603 208 HB2 SER 30 HB2 SER 30 -6.080 -10.685 -9.864 209 HB3 SER 30 HB1 SER 30 -6.457 -12.403 -9.847 210 HG SER 30 HG SER 30 -5.972 -11.645 -7.778 211 H CYS 31 HN CYS 31 -3.341 -12.927 -8.708 212 HA CYS 31 HA CYS 31 -2.448 -15.392 -9.942 213 HB2 CYS 31 HB2 CYS 31 -1.356 -15.867 -7.887 214 HB3 CYS 31 HB1 CYS 31 -1.206 -14.124 -8.088 215 H LYS 32 HN LYS 32 -3.112 -17.538 -9.141 216 HA LYS 32 HA LYS 32 -5.949 -17.786 -9.273 217 HB2 LYS 32 HB2 LYS 32 -5.582 -20.211 -9.201 218 HB3 LYS 32 HB1 LYS 32 -4.489 -19.437 -10.340 219 HG2 LYS 32 HG2 LYS 32 -2.623 -19.646 -8.781 220 HG3 LYS 32 HG1 LYS 32 -3.687 -20.302 -7.536 221 HD2 LYS 32 HD2 LYS 32 -3.039 -21.632 -10.201 222 HD3 LYS 32 HD1 LYS 32 -2.359 -22.083 -8.638 223 HE2 LYS 32 HE2 LYS 32 -4.655 -22.660 -7.840 224 HE3 LYS 32 HE1 LYS 32 -5.289 -22.289 -9.445 225 HZ1 LYS 32 HZ1 LYS 32 -3.334 -24.409 -8.774 226 HZ2 LYS 32 HZ2 LYS 32 -3.852 -24.030 -10.334 227 HZ3 LYS 32 HZ3 LYS 32 -4.950 -24.632 -9.205 228 H ALA 33 HN ALA 33 -3.702 -17.692 -6.632 229 HA ALA 33 HA ALA 33 -5.207 -18.957 -4.606 230 HB1 ALA 33 HB1 ALA 33 -3.692 -17.807 -3.035 231 HB2 ALA 33 HB2 ALA 33 -3.118 -16.768 -4.341 232 HB3 ALA 33 HB3 ALA 33 -2.800 -18.500 -4.391 233 H CYS 34 HN CYS 34 -5.035 -15.554 -5.652 234 HA CYS 34 HA CYS 34 -6.722 -14.343 -3.777 235 HB2 CYS 34 HB2 CYS 34 -5.975 -13.626 -6.613 236 HB3 CYS 34 HB1 CYS 34 -7.274 -12.735 -5.833 237 H ILE 35 HN ILE 35 -7.556 -15.701 -6.979 238 HA ILE 35 HA ILE 35 -10.355 -15.133 -6.664 239 HB ILE 35 HB ILE 35 -9.281 -15.011 -8.874 240 HG12 ILE 35 HG12 ILE 35 -11.026 -16.216 -10.203 241 HG13 ILE 35 HG11 ILE 35 -11.492 -17.120 -8.765 242 HG21 ILE 35 HG21 ILE 35 -8.944 -18.020 -8.715 243 HG22 ILE 35 HG22 ILE 35 -7.659 -16.807 -8.715 244 HG23 ILE 35 HG23 ILE 35 -8.661 -17.031 -10.149 245 HD11 ILE 35 HD11 ILE 35 -13.033 -15.304 -9.236 246 HD12 ILE 35 HD12 ILE 35 -11.722 -14.130 -9.130 247 HD13 ILE 35 HD13 ILE 35 -12.215 -15.037 -7.696 248 H ASN 36 HN ASN 36 -8.307 -17.882 -5.942 249 HA ASN 36 HA ASN 36 -10.252 -19.931 -5.718 250 HB2 ASN 36 HB2 ASN 36 -7.831 -20.422 -5.629 251 HB3 ASN 36 HB1 ASN 36 -7.672 -19.501 -4.138 252 HD21 ASN 36 HD21 ASN 36 -8.734 -22.475 -5.555 253 HD22 ASN 36 HD22 ASN 36 -8.976 -23.348 -4.083 254 H GLN 37 HN GLN 37 -8.858 -17.785 -3.265 255 HA GLN 37 HA GLN 37 -10.642 -18.473 -1.149 256 HB2 GLN 37 HB2 GLN 37 -8.290 -17.609 -0.890 257 HB3 GLN 37 HB1 GLN 37 -8.849 -16.026 -1.414 258 HG2 GLN 37 HG2 GLN 37 -10.329 -15.900 0.559 259 HG3 GLN 37 HG1 GLN 37 -9.786 -17.498 1.070 260 HE21 GLN 37 HE21 GLN 37 -9.015 -16.700 3.033 261 HE22 GLN 37 HE22 GLN 37 -7.586 -15.737 3.147 262 H HIS 38 HN HIS 38 -10.867 -16.309 -3.822 263 HA HIS 38 HA HIS 38 -12.865 -14.538 -2.705 264 HB2 HIS 38 HB2 HIS 38 -11.218 -13.822 -4.461 265 HB3 HIS 38 HB1 HIS 38 -12.021 -14.877 -5.613 266 HD2 HIS 38 HD2 HIS 38 -14.240 -13.784 -6.848 267 HE1 HIS 38 HE1 HIS 38 -14.260 -10.204 -4.590 268 HE2 HIS 38 HE2 HIS 38 -15.084 -11.342 -6.688 269 H LEU 39 HN LEU 39 -12.848 -17.386 -4.880 270 HA LEU 39 HA LEU 39 -15.524 -17.087 -5.800 271 HB2 LEU 39 HB2 LEU 39 -13.573 -19.385 -5.921 272 HB3 LEU 39 HB1 LEU 39 -15.216 -19.578 -6.509 273 HG LEU 39 HG LEU 39 -13.168 -17.592 -7.587 274 HD11 LEU 39 HD11 LEU 39 -12.620 -19.884 -8.226 275 HD12 LEU 39 HD12 LEU 39 -13.165 -18.965 -9.627 276 HD13 LEU 39 HD13 LEU 39 -14.252 -20.121 -8.856 277 HD21 LEU 39 HD21 LEU 39 -16.004 -18.108 -8.557 278 HD22 LEU 39 HD22 LEU 39 -14.810 -17.092 -9.366 279 HD23 LEU 39 HD23 LEU 39 -15.416 -16.636 -7.777 280 H MET 40 HN MET 40 -14.222 -18.579 -2.927 281 HA MET 40 HA MET 40 -16.537 -20.135 -2.249 282 HB2 MET 40 HB2 MET 40 -15.571 -20.344 -0.014 283 HB3 MET 40 HB1 MET 40 -14.319 -20.585 -1.222 284 HG2 MET 40 HG2 MET 40 -13.497 -18.301 -0.834 285 HG3 MET 40 HG1 MET 40 -14.758 -18.049 0.374 286 HE1 MET 40 HE1 MET 40 -13.670 -20.590 3.192 287 HE2 MET 40 HE2 MET 40 -14.809 -20.900 1.882 288 HE3 MET 40 HE3 MET 40 -14.838 -19.354 2.732 289 H ASN 41 HN ASN 41 -15.840 -16.768 -2.128 290 HA ASN 41 HA ASN 41 -18.088 -16.161 -0.302 291 HB2 ASN 41 HB2 ASN 41 -15.852 -14.326 -1.264 292 HB3 ASN 41 HB1 ASN 41 -17.077 -13.921 -0.065 293 HD21 ASN 41 HD21 ASN 41 -14.106 -14.032 0.098 294 HD22 ASN 41 HD22 ASN 41 -13.771 -15.059 1.445 295 H ASN 42 HN ASN 42 -16.584 -14.448 -3.062 296 HA ASN 42 HA ASN 42 -19.255 -13.844 -4.199 297 HB2 ASN 42 HB2 ASN 42 -16.652 -12.274 -4.458 298 HB3 ASN 42 HB1 ASN 42 -18.221 -11.774 -5.077 299 HD21 ASN 42 HD21 ASN 42 -19.704 -12.596 -2.652 300 HD22 ASN 42 HD22 ASN 42 -19.290 -11.443 -1.438 301 H LYS 43 HN LYS 43 -18.710 -13.066 -6.726 302 HA LYS 43 HA LYS 43 -16.988 -15.083 -8.041 303 HB2 LYS 43 HB2 LYS 43 -19.423 -15.869 -7.822 304 HB3 LYS 43 HB1 LYS 43 -19.868 -14.547 -8.890 305 HG2 LYS 43 HG2 LYS 43 -18.377 -15.550 -10.654 306 HG3 LYS 43 HG1 LYS 43 -18.094 -16.916 -9.572 307 HD2 LYS 43 HD2 LYS 43 -20.801 -16.065 -10.673 308 HD3 LYS 43 HD1 LYS 43 -19.842 -17.421 -11.271 309 HE2 LYS 43 HE2 LYS 43 -21.049 -17.186 -8.484 310 HE3 LYS 43 HE1 LYS 43 -21.661 -18.196 -9.792 311 HZ1 LYS 43 HZ1 LYS 43 -18.969 -18.480 -8.592 312 HZ2 LYS 43 HZ2 LYS 43 -19.696 -19.514 -9.714 313 HZ3 LYS 43 HZ3 LYS 43 -20.313 -19.396 -8.145 314 H ASP 44 HN ASP 44 -17.124 -12.014 -7.574 315 HA ASP 44 HA ASP 44 -17.511 -10.974 -10.285 316 HB2 ASP 44 HB2 ASP 44 -17.515 -8.798 -9.326 317 HB3 ASP 44 HB1 ASP 44 -18.426 -9.809 -8.219 318 H CYS 45 HN CYS 45 -15.904 -9.337 -11.068 319 HA CYS 45 HA CYS 45 -13.303 -10.669 -11.295 320 HB2 CYS 45 HB2 CYS 45 -14.591 -10.249 -13.312 321 HB3 CYS 45 HB1 CYS 45 -14.729 -8.545 -12.931 322 H PHE 46 HN PHE 46 -13.867 -8.994 -8.914 323 HA PHE 46 HA PHE 46 -12.814 -7.623 -7.488 324 HB2 PHE 46 HB2 PHE 46 -10.449 -8.083 -9.351 325 HB3 PHE 46 HB1 PHE 46 -10.316 -7.255 -7.806 326 HD1 PHE 46 HD2 PHE 46 -11.186 -10.548 -9.364 327 HD2 PHE 46 HD1 PHE 46 -10.007 -8.508 -5.790 328 HE1 PHE 46 HE2 PHE 46 -10.723 -12.702 -8.273 329 HE2 PHE 46 HE1 PHE 46 -9.551 -10.674 -4.713 330 HZ PHE 46 HZ PHE 46 -9.905 -12.771 -5.952 331 H PHE 47 HN PHE 47 -11.115 -6.470 -10.393 332 HA PHE 47 HA PHE 47 -10.958 -3.807 -9.466 333 HB2 PHE 47 HB2 PHE 47 -10.330 -4.892 -12.248 334 HB3 PHE 47 HB1 PHE 47 -9.725 -3.384 -11.559 335 HD1 PHE 47 HD1 PHE 47 -7.993 -3.432 -9.763 336 HD2 PHE 47 HD2 PHE 47 -9.329 -7.043 -11.639 337 HE1 PHE 47 HE1 PHE 47 -6.043 -4.635 -8.857 338 HE2 PHE 47 HE2 PHE 47 -7.372 -8.231 -10.731 339 HZ PHE 47 HZ PHE 47 -5.730 -7.030 -9.340 340 H CYS 48 HN CYS 48 -13.265 -5.407 -11.530 341 HA CYS 48 HA CYS 48 -14.595 -2.823 -12.169 342 HB2 CYS 48 HB2 CYS 48 -15.044 -3.544 -14.416 343 HB3 CYS 48 HB1 CYS 48 -13.330 -3.874 -14.148 344 H LYS 49 HN LYS 49 -14.829 -5.875 -10.755 345 HA LYS 49 HA LYS 49 -16.421 -7.090 -9.777 346 HB2 LYS 49 HB2 LYS 49 -17.012 -4.817 -8.884 347 HB3 LYS 49 HB1 LYS 49 -18.181 -4.636 -10.184 348 HG2 LYS 49 HG2 LYS 49 -19.442 -6.582 -9.273 349 HG3 LYS 49 HG1 LYS 49 -18.291 -6.671 -7.937 350 HD2 LYS 49 HD2 LYS 49 -18.968 -4.466 -7.149 351 HD3 LYS 49 HD1 LYS 49 -20.003 -4.240 -8.561 352 HE2 LYS 49 HE2 LYS 49 -20.400 -6.355 -6.419 353 HE3 LYS 49 HE1 LYS 49 -21.308 -4.848 -6.546 354 HZ1 LYS 49 HZ1 LYS 49 -21.290 -7.043 -8.549 355 HZ2 LYS 49 HZ2 LYS 49 -22.130 -5.588 -8.705 356 HZ3 LYS 49 HZ3 LYS 49 -22.542 -6.674 -7.479 357 H THR 50 HN THR 50 -16.429 -6.786 -12.964 358 HA THR 50 HA THR 50 -18.972 -7.580 -13.875 359 HB THR 50 HB THR 50 -16.282 -8.345 -15.099 360 HG1 THR 50 HG1 THR 50 -17.877 -6.004 -15.392 361 HG21 THR 50 HG21 THR 50 -18.178 -9.570 -16.129 362 HG22 THR 50 HG22 THR 50 -17.516 -8.383 -17.250 363 HG23 THR 50 HG23 THR 50 -19.027 -8.045 -16.404 364 H THR 51 HN THR 51 -20.018 -9.532 -13.885 365 HA THR 51 HA THR 51 -19.299 -11.634 -12.170 366 HB THR 51 HB THR 51 -21.245 -11.815 -14.512 367 HG1 THR 51 HG1 THR 51 -22.231 -10.294 -13.422 368 HG21 THR 51 HG21 THR 51 -20.755 -14.012 -13.468 369 HG22 THR 51 HG22 THR 51 -22.403 -13.499 -13.118 370 HG23 THR 51 HG23 THR 51 -21.158 -13.352 -11.881 371 H ILE 52 HN ILE 52 -17.797 -13.176 -12.440 372 HA ILE 52 HA ILE 52 -16.491 -13.602 -14.989 373 HB ILE 52 HB ILE 52 -16.045 -15.133 -12.385 374 HG12 ILE 52 HG12 ILE 52 -14.520 -12.677 -13.402 375 HG13 ILE 52 HG11 ILE 52 -15.688 -12.650 -12.084 376 HG21 ILE 52 HG21 ILE 52 -14.279 -14.820 -14.858 377 HG22 ILE 52 HG22 ILE 52 -15.134 -16.284 -14.369 378 HG23 ILE 52 HG23 ILE 52 -13.827 -15.658 -13.375 379 HD11 ILE 52 HD11 ILE 52 -14.247 -14.138 -10.785 380 HD12 ILE 52 HD12 ILE 52 -13.425 -12.653 -11.258 381 HD13 ILE 52 HD13 ILE 52 -13.078 -14.155 -12.111 382 H VAL 53 HN VAL 53 -17.185 -15.026 -16.461 383 HA VAL 53 HA VAL 53 -19.135 -17.091 -15.876 384 HB VAL 53 HB VAL 53 -17.669 -16.515 -18.498 385 HG11 VAL 53 HG11 VAL 53 -18.657 -18.766 -18.474 386 HG12 VAL 53 HG12 VAL 53 -19.554 -17.725 -19.578 387 HG13 VAL 53 HG13 VAL 53 -20.219 -18.104 -17.989 388 HG21 VAL 53 HG21 VAL 53 -19.700 -15.236 -19.160 389 HG22 VAL 53 HG22 VAL 53 -18.911 -14.520 -17.757 390 HG23 VAL 53 HG23 VAL 53 -20.375 -15.479 -17.546 391 H SER 54 HN SER 54 -15.672 -16.879 -16.723 392 HA SER 54 HA SER 54 -14.995 -19.212 -15.245 393 HB2 SER 54 HB2 SER 54 -14.036 -20.548 -17.196 394 HB3 SER 54 HB1 SER 54 -15.794 -20.483 -17.144 395 HG SER 54 HG SER 54 -14.647 -20.064 -19.233 396 H VAL 55 HN VAL 55 -12.896 -19.162 -14.628 397 HA VAL 55 HA VAL 55 -11.160 -16.983 -15.588 398 HB VAL 55 HB VAL 55 -10.665 -18.833 -13.202 399 HG11 VAL 55 HG11 VAL 55 -9.160 -17.036 -12.416 400 HG12 VAL 55 HG12 VAL 55 -9.503 -16.110 -13.879 401 HG13 VAL 55 HG13 VAL 55 -8.667 -17.660 -13.992 402 HG21 VAL 55 HG21 VAL 55 -11.565 -17.089 -11.726 403 HG22 VAL 55 HG22 VAL 55 -12.804 -17.673 -12.837 404 HG23 VAL 55 HG23 VAL 55 -12.021 -16.119 -13.128 405 H GLU 56 HN GLU 56 -9.810 -17.591 -17.248 406 HA GLU 56 HA GLU 56 -8.826 -20.334 -17.508 407 HB2 GLU 56 HB2 GLU 56 -8.131 -17.881 -19.184 408 HB3 GLU 56 HB1 GLU 56 -7.769 -19.555 -19.589 409 HG2 GLU 56 HG2 GLU 56 -10.501 -18.245 -19.485 410 HG3 GLU 56 HG1 GLU 56 -9.635 -18.798 -20.917 411 H ASP 57 HN ASP 57 -6.387 -20.554 -17.994 412 HA ASP 57 HA ASP 57 -4.806 -19.311 -15.862 413 HB2 ASP 57 HB2 ASP 57 -3.954 -21.339 -17.980 414 HB3 ASP 57 HB1 ASP 57 -3.021 -20.878 -16.556 415 H TRP 58 HN TRP 58 -3.299 -17.673 -16.218 416 HA TRP 58 HA TRP 58 -2.702 -16.907 -19.027 417 HB2 TRP 58 HB2 TRP 58 -4.053 -15.187 -17.745 418 HB3 TRP 58 HB1 TRP 58 -2.705 -15.021 -16.623 419 HD1 TRP 58 HD1 TRP 58 -3.666 -14.282 -20.288 420 HE1 TRP 58 HE1 TRP 58 -2.035 -12.548 -21.247 421 HE3 TRP 58 HE3 TRP 58 -0.360 -14.000 -16.381 422 HZ2 TRP 58 HZ2 TRP 58 0.320 -11.235 -20.467 423 HZ3 TRP 58 HZ3 TRP 58 1.560 -12.473 -16.574 424 HH2 TRP 58 HH2 TRP 58 1.896 -11.120 -18.583 425 H GLU 59 HN GLU 59 -0.664 -17.282 -19.579 426 HA GLU 59 HA GLU 59 1.563 -16.956 -17.682 427 HB2 GLU 59 HB2 GLU 59 1.194 -19.380 -19.515 428 HB3 GLU 59 HB1 GLU 59 2.636 -19.033 -18.565 429 HG2 GLU 59 HG2 GLU 59 1.280 -19.215 -16.484 430 HG3 GLU 59 HG1 GLU 59 -0.120 -19.657 -17.463 431 H LYS 60 HN LYS 60 3.371 -16.042 -18.611 432 HA LYS 60 HA LYS 60 3.284 -15.088 -21.348 433 HB2 LYS 60 HB2 LYS 60 5.435 -14.830 -19.197 434 HB3 LYS 60 HB1 LYS 60 5.523 -14.071 -20.787 435 HG2 LYS 60 HG2 LYS 60 3.423 -12.827 -20.275 436 HG3 LYS 60 HG1 LYS 60 3.433 -13.525 -18.658 437 HD2 LYS 60 HD2 LYS 60 5.618 -11.738 -19.794 438 HD3 LYS 60 HD1 LYS 60 4.315 -11.190 -18.741 439 HE2 LYS 60 HE2 LYS 60 5.150 -12.729 -16.966 440 HE3 LYS 60 HE1 LYS 60 6.498 -13.174 -18.012 441 HZ1 LYS 60 HZ1 LYS 60 7.156 -11.485 -16.460 442 HZ2 LYS 60 HZ2 LYS 60 5.904 -10.467 -16.968 443 HZ3 LYS 60 HZ3 LYS 60 7.169 -10.841 -18.025 444 H GLY 61 HN GLY 61 3.159 -17.138 -22.365 445 HA2 GLY 61 HA2 GLY 61 5.235 -18.186 -23.702 446 HA3 GLY 61 HA1 GLY 61 5.353 -19.051 -22.169 Start of MODEL 18 1 H1 SER 1 HT1 SER 1 15.435 6.997 -4.334 2 H2 SER 1 HT2 SER 1 16.249 5.528 -4.552 3 H3 SER 1 HT3 SER 1 16.445 6.399 -3.117 4 HA SER 1 HA SER 1 14.164 6.068 -2.524 5 HB2 SER 1 HB2 SER 1 13.209 5.968 -4.791 6 HB3 SER 1 HB1 SER 1 14.047 4.452 -5.113 7 HG SER 1 HG SER 1 11.739 4.949 -3.643 8 H HIS 2 HN HIS 2 13.503 4.200 -1.367 9 HA HIS 2 HA HIS 2 15.611 2.169 -0.937 10 HB2 HIS 2 HB2 HIS 2 13.287 2.947 0.891 11 HB3 HIS 2 HB1 HIS 2 14.658 1.926 1.312 12 HD2 HIS 2 HD2 HIS 2 13.865 5.732 0.690 13 HE1 HIS 2 HE1 HIS 2 17.633 5.403 2.579 14 HE2 HIS 2 HE2 HIS 2 15.922 6.992 1.614 15 H MET 3 HN MET 3 12.613 2.609 -2.383 16 HA MET 3 HA MET 3 11.703 -0.186 -2.065 17 HB2 MET 3 HB2 MET 3 10.093 1.667 -1.492 18 HB3 MET 3 HB1 MET 3 10.212 2.255 -3.143 19 HG2 MET 3 HG2 MET 3 9.301 0.033 -3.908 20 HG3 MET 3 HG1 MET 3 9.009 -0.359 -2.212 21 HE1 MET 3 HE1 MET 3 6.730 -0.427 -4.432 22 HE2 MET 3 HE2 MET 3 5.400 0.447 -3.675 23 HE3 MET 3 HE3 MET 3 6.320 -0.727 -2.738 24 HA PRO 4 HA PRO 4 13.479 -0.292 -6.334 25 HB2 PRO 4 HB2 PRO 4 14.277 -2.851 -6.379 26 HB3 PRO 4 HB1 PRO 4 15.078 -1.687 -5.314 27 HG2 PRO 4 HG2 PRO 4 12.985 -3.746 -4.637 28 HG3 PRO 4 HG1 PRO 4 14.469 -3.323 -3.754 29 HD2 PRO 4 HD2 PRO 4 11.917 -2.335 -3.147 30 HD3 PRO 4 HD1 PRO 4 13.442 -1.565 -2.657 31 H THR 5 HN THR 5 10.912 0.019 -6.528 32 HA THR 5 HA THR 5 9.221 -2.163 -7.127 33 HB THR 5 HB THR 5 8.857 0.726 -8.043 34 HG1 THR 5 HG1 THR 5 8.714 -0.497 -5.531 35 HG21 THR 5 HG21 THR 5 6.815 -1.428 -7.352 36 HG22 THR 5 HG22 THR 5 7.198 -0.874 -8.982 37 HG23 THR 5 HG23 THR 5 6.443 0.230 -7.832 38 H SER 6 HN SER 6 9.366 -3.482 -8.847 39 HA SER 6 HA SER 6 9.660 -2.467 -11.561 40 HB2 SER 6 HB2 SER 6 12.025 -2.779 -10.820 41 HB3 SER 6 HB1 SER 6 11.685 -4.462 -10.429 42 HG SER 6 HG SER 6 11.958 -3.213 -12.919 43 H GLU 7 HN GLU 7 7.572 -3.252 -11.878 44 HA GLU 7 HA GLU 7 6.818 -5.986 -11.405 45 HB2 GLU 7 HB2 GLU 7 5.491 -3.751 -12.987 46 HB3 GLU 7 HB1 GLU 7 4.826 -5.377 -12.939 47 HG2 GLU 7 HG2 GLU 7 3.638 -3.982 -11.388 48 HG3 GLU 7 HG1 GLU 7 4.555 -5.191 -10.494 49 H GLU 8 HN GLU 8 7.105 -7.697 -12.701 50 HA GLU 8 HA GLU 8 7.695 -7.323 -15.583 51 HB2 GLU 8 HB2 GLU 8 8.667 -9.693 -15.437 52 HB3 GLU 8 HB1 GLU 8 9.582 -8.415 -14.658 53 HG2 GLU 8 HG2 GLU 8 9.722 -10.215 -13.174 54 HG3 GLU 8 HG1 GLU 8 8.512 -9.158 -12.453 55 H ASP 9 HN ASP 9 5.219 -6.960 -14.687 56 HA ASP 9 HA ASP 9 3.052 -7.421 -14.783 57 HB2 ASP 9 HB2 ASP 9 3.788 -10.020 -16.200 58 HB3 ASP 9 HB1 ASP 9 2.144 -9.423 -15.985 59 H LEU 10 HN LEU 10 3.285 -7.379 -12.543 60 HA LEU 10 HA LEU 10 3.280 -9.903 -11.037 61 HB2 LEU 10 HB2 LEU 10 3.386 -6.990 -10.161 62 HB3 LEU 10 HB1 LEU 10 3.295 -8.330 -9.028 63 HG LEU 10 HG LEU 10 5.580 -7.855 -10.993 64 HD11 LEU 10 HD11 LEU 10 5.501 -7.415 -7.985 65 HD12 LEU 10 HD12 LEU 10 5.601 -6.160 -9.223 66 HD13 LEU 10 HD13 LEU 10 6.938 -7.287 -9.006 67 HD21 LEU 10 HD21 LEU 10 6.750 -9.644 -9.749 68 HD22 LEU 10 HD22 LEU 10 5.301 -10.242 -10.548 69 HD23 LEU 10 HD23 LEU 10 5.286 -9.949 -8.808 70 H CYS 11 HN CYS 11 1.610 -10.338 -9.446 71 HA CYS 11 HA CYS 11 -1.064 -9.919 -10.321 72 HB2 CYS 11 HB2 CYS 11 -0.343 -11.921 -8.978 73 HB3 CYS 11 HB1 CYS 11 -0.075 -10.875 -7.591 74 HA PRO 12 HA PRO 12 -1.239 -5.617 -8.767 75 HB2 PRO 12 HB2 PRO 12 -3.999 -5.249 -9.056 76 HB3 PRO 12 HB1 PRO 12 -2.818 -5.086 -10.362 77 HG2 PRO 12 HG2 PRO 12 -4.528 -7.464 -9.641 78 HG3 PRO 12 HG1 PRO 12 -4.212 -6.757 -11.245 79 HD2 PRO 12 HD2 PRO 12 -2.925 -8.965 -10.455 80 HD3 PRO 12 HD1 PRO 12 -2.055 -7.706 -11.360 81 H ILE 13 HN ILE 13 -2.972 -8.249 -7.337 82 HA ILE 13 HA ILE 13 -3.789 -6.819 -4.931 83 HB ILE 13 HB ILE 13 -3.900 -9.786 -5.654 84 HG12 ILE 13 HG12 ILE 13 -6.170 -7.724 -5.708 85 HG13 ILE 13 HG11 ILE 13 -5.283 -8.246 -7.134 86 HG21 ILE 13 HG21 ILE 13 -5.273 -8.323 -3.347 87 HG22 ILE 13 HG22 ILE 13 -3.942 -9.471 -3.204 88 HG23 ILE 13 HG23 ILE 13 -5.512 -10.021 -3.779 89 HD11 ILE 13 HD11 ILE 13 -7.000 -10.005 -5.392 90 HD12 ILE 13 HD12 ILE 13 -6.131 -10.512 -6.844 91 HD13 ILE 13 HD13 ILE 13 -7.437 -9.333 -6.962 92 H CYS 14 HN CYS 14 -1.330 -9.205 -5.919 93 HA CYS 14 HA CYS 14 -0.493 -9.666 -3.154 94 HB2 CYS 14 HB2 CYS 14 0.171 -11.075 -5.759 95 HB3 CYS 14 HB1 CYS 14 0.905 -11.496 -4.221 96 H TYR 15 HN TYR 15 1.034 -8.881 -6.273 97 HA TYR 15 HA TYR 15 2.852 -7.780 -6.954 98 HB2 TYR 15 HB2 TYR 15 3.212 -6.803 -4.096 99 HB3 TYR 15 HB1 TYR 15 4.116 -6.219 -5.489 100 HD1 TYR 15 HD2 TYR 15 2.775 -5.058 -7.392 101 HD2 TYR 15 HD1 TYR 15 1.123 -5.788 -3.517 102 HE1 TYR 15 HE2 TYR 15 1.067 -3.329 -7.783 103 HE2 TYR 15 HE1 TYR 15 -0.577 -4.066 -3.913 104 HH TYR 15 HH TYR 15 -1.173 -2.711 -6.971 105 H ALA 16 HN ALA 16 3.351 -9.557 -3.910 106 HA ALA 16 HA ALA 16 6.093 -10.073 -4.127 107 HB1 ALA 16 HB1 ALA 16 4.833 -10.332 -2.029 108 HB2 ALA 16 HB2 ALA 16 5.735 -11.799 -2.417 109 HB3 ALA 16 HB3 ALA 16 3.993 -11.730 -2.700 110 H HIS 17 HN HIS 17 3.348 -11.712 -5.560 111 HA HIS 17 HA HIS 17 5.156 -13.511 -7.057 112 HB2 HIS 17 HB2 HIS 17 2.441 -14.128 -5.822 113 HB3 HIS 17 HB1 HIS 17 3.064 -15.075 -7.163 114 HD1 HIS 17 HD1 HIS 17 4.248 -17.127 -6.444 115 HD2 HIS 17 HD2 HIS 17 4.452 -14.173 -3.541 116 HE1 HIS 17 HE1 HIS 17 5.482 -18.156 -4.528 117 HE2 HIS 17 HE2 HIS 17 5.782 -16.275 -2.883 118 HA PRO 18 HA PRO 18 3.534 -11.600 -10.722 119 HB2 PRO 18 HB2 PRO 18 3.826 -14.147 -12.229 120 HB3 PRO 18 HB1 PRO 18 4.741 -12.642 -12.380 121 HG2 PRO 18 HG2 PRO 18 5.856 -14.858 -11.326 122 HG3 PRO 18 HG1 PRO 18 6.261 -13.236 -10.720 123 HD2 PRO 18 HD2 PRO 18 4.316 -15.251 -9.565 124 HD3 PRO 18 HD1 PRO 18 5.585 -14.314 -8.738 125 H ILE 19 HN ILE 19 2.186 -12.505 -12.878 126 HA ILE 19 HA ILE 19 -0.528 -13.015 -11.929 127 HB ILE 19 HB ILE 19 0.546 -12.522 -14.750 128 HG12 ILE 19 HG12 ILE 19 -0.960 -10.600 -12.900 129 HG13 ILE 19 HG11 ILE 19 0.783 -10.581 -13.135 130 HG21 ILE 19 HG21 ILE 19 -1.823 -12.122 -15.407 131 HG22 ILE 19 HG22 ILE 19 -2.353 -12.600 -13.792 132 HG23 ILE 19 HG23 ILE 19 -1.574 -13.777 -14.851 133 HD11 ILE 19 HD11 ILE 19 -0.336 -8.847 -14.405 134 HD12 ILE 19 HD12 ILE 19 -1.280 -10.059 -15.265 135 HD13 ILE 19 HD13 ILE 19 0.472 -9.992 -15.472 136 H SER 20 HN SER 20 -1.510 -14.969 -11.999 137 HA SER 20 HA SER 20 -0.491 -17.157 -13.699 138 HB2 SER 20 HB2 SER 20 0.320 -17.443 -11.342 139 HB3 SER 20 HB1 SER 20 -1.350 -17.451 -10.779 140 HG SER 20 HG SER 20 -1.150 -19.258 -12.713 141 H ALA 21 HN ALA 21 -3.015 -15.154 -13.311 142 HA ALA 21 HA ALA 21 -4.959 -17.012 -14.401 143 HB1 ALA 21 HB1 ALA 21 -5.595 -15.621 -11.768 144 HB2 ALA 21 HB2 ALA 21 -5.289 -17.344 -11.969 145 HB3 ALA 21 HB3 ALA 21 -6.709 -16.612 -12.717 146 H VAL 22 HN VAL 22 -6.902 -15.969 -15.123 147 HA VAL 22 HA VAL 22 -6.980 -13.061 -15.345 148 HB VAL 22 HB VAL 22 -5.711 -13.635 -17.366 149 HG11 VAL 22 HG11 VAL 22 -6.548 -15.192 -19.098 150 HG12 VAL 22 HG12 VAL 22 -7.930 -15.600 -18.079 151 HG13 VAL 22 HG13 VAL 22 -6.298 -16.026 -17.562 152 HG21 VAL 22 HG21 VAL 22 -8.612 -13.056 -18.117 153 HG22 VAL 22 HG22 VAL 22 -7.201 -12.749 -19.134 154 HG23 VAL 22 HG23 VAL 22 -7.408 -11.858 -17.627 155 H PHE 23 HN PHE 23 -9.061 -12.317 -15.448 156 HA PHE 23 HA PHE 23 -11.271 -14.256 -15.180 157 HB2 PHE 23 HB2 PHE 23 -11.524 -11.253 -14.762 158 HB3 PHE 23 HB1 PHE 23 -12.540 -12.530 -14.116 159 HD1 PHE 23 HD1 PHE 23 -10.732 -14.372 -12.803 160 HD2 PHE 23 HD2 PHE 23 -10.531 -10.105 -12.993 161 HE1 PHE 23 HE1 PHE 23 -9.449 -14.321 -10.717 162 HE2 PHE 23 HE2 PHE 23 -9.251 -10.067 -10.908 163 HZ PHE 23 HZ PHE 23 -8.706 -12.179 -9.765 164 H GLN 24 HN GLN 24 -11.502 -14.829 -17.338 165 HA GLN 24 HA GLN 24 -11.781 -12.781 -19.385 166 HB2 GLN 24 HB2 GLN 24 -11.381 -15.769 -19.422 167 HB3 GLN 24 HB1 GLN 24 -12.163 -15.029 -20.819 168 HG2 GLN 24 HG2 GLN 24 -10.289 -13.507 -21.121 169 HG3 GLN 24 HG1 GLN 24 -9.474 -14.178 -19.705 170 HE21 GLN 24 HE21 GLN 24 -11.161 -16.004 -22.218 171 HE22 GLN 24 HE22 GLN 24 -9.768 -16.824 -22.809 172 HA PRO 25 HA PRO 25 -12.555 -12.708 -21.469 173 HB2 PRO 25 HB2 PRO 25 -14.270 -11.530 -23.116 174 HB3 PRO 25 HB1 PRO 25 -14.356 -13.280 -22.866 175 HG2 PRO 25 HG2 PRO 25 -16.049 -11.118 -21.653 176 HG3 PRO 25 HG1 PRO 25 -16.556 -12.673 -22.338 177 HD2 PRO 25 HD2 PRO 25 -16.126 -12.149 -19.606 178 HD3 PRO 25 HD1 PRO 25 -16.199 -13.765 -20.339 179 H CYS 26 HN CYS 26 -13.362 -11.096 -18.888 180 HA CYS 26 HA CYS 26 -13.508 -8.351 -19.647 181 HB2 CYS 26 HB2 CYS 26 -14.308 -8.949 -17.441 182 HB3 CYS 26 HB1 CYS 26 -12.737 -9.624 -17.003 183 H GLY 27 HN GLY 27 -10.786 -10.349 -18.432 184 HA2 GLY 27 HA2 GLY 27 -8.626 -10.224 -19.417 185 HA3 GLY 27 HA1 GLY 27 -8.897 -8.543 -19.822 186 H HIS 28 HN HIS 28 -9.999 -8.634 -16.753 187 HA HIS 28 HA HIS 28 -7.712 -7.533 -15.533 188 HB2 HIS 28 HB2 HIS 28 -10.385 -8.439 -14.499 189 HB3 HIS 28 HB1 HIS 28 -9.098 -8.289 -13.302 190 HD2 HIS 28 HD2 HIS 28 -7.728 -5.522 -14.179 191 HE1 HIS 28 HE1 HIS 28 -11.642 -3.975 -13.893 192 HE2 HIS 28 HE2 HIS 28 -9.193 -3.397 -14.118 193 H LYS 29 HN LYS 29 -6.043 -8.396 -14.528 194 HA LYS 29 HA LYS 29 -5.688 -11.318 -14.595 195 HB2 LYS 29 HB2 LYS 29 -3.641 -9.067 -14.444 196 HB3 LYS 29 HB1 LYS 29 -3.281 -10.773 -14.649 197 HG2 LYS 29 HG2 LYS 29 -4.912 -9.199 -16.651 198 HG3 LYS 29 HG1 LYS 29 -3.153 -9.309 -16.730 199 HD2 LYS 29 HD2 LYS 29 -3.330 -11.770 -16.966 200 HD3 LYS 29 HD1 LYS 29 -5.092 -11.640 -16.898 201 HE2 LYS 29 HE2 LYS 29 -5.102 -10.297 -18.951 202 HE3 LYS 29 HE1 LYS 29 -3.340 -10.330 -19.014 203 HZ1 LYS 29 HZ1 LYS 29 -4.310 -11.924 -20.531 204 HZ2 LYS 29 HZ2 LYS 29 -5.135 -12.681 -19.269 205 HZ3 LYS 29 HZ3 LYS 29 -3.448 -12.728 -19.321 206 H SER 30 HN SER 30 -4.590 -12.357 -12.885 207 HA SER 30 HA SER 30 -3.735 -11.125 -10.456 208 HB2 SER 30 HB2 SER 30 -5.411 -12.006 -8.912 209 HB3 SER 30 HB1 SER 30 -6.277 -11.093 -10.151 210 HG SER 30 HG SER 30 -6.815 -13.043 -11.149 211 H CYS 31 HN CYS 31 -4.018 -13.488 -8.813 212 HA CYS 31 HA CYS 31 -2.738 -15.624 -10.422 213 HB2 CYS 31 HB2 CYS 31 -1.593 -16.342 -8.396 214 HB3 CYS 31 HB1 CYS 31 -1.240 -14.635 -8.667 215 H LYS 32 HN LYS 32 -3.274 -17.840 -9.627 216 HA LYS 32 HA LYS 32 -6.037 -18.314 -9.558 217 HB2 LYS 32 HB2 LYS 32 -3.752 -20.165 -8.727 218 HB3 LYS 32 HB1 LYS 32 -5.412 -20.689 -9.016 219 HG2 LYS 32 HG2 LYS 32 -5.244 -20.032 -11.380 220 HG3 LYS 32 HG1 LYS 32 -3.615 -19.409 -11.115 221 HD2 LYS 32 HD2 LYS 32 -3.548 -21.626 -12.208 222 HD3 LYS 32 HD1 LYS 32 -2.803 -21.687 -10.610 223 HE2 LYS 32 HE2 LYS 32 -4.837 -22.720 -9.684 224 HE3 LYS 32 HE1 LYS 32 -5.629 -22.601 -11.255 225 HZ1 LYS 32 HZ1 LYS 32 -4.749 -24.818 -10.800 226 HZ2 LYS 32 HZ2 LYS 32 -3.180 -24.193 -10.711 227 HZ3 LYS 32 HZ3 LYS 32 -4.037 -24.126 -12.169 228 H ALA 33 HN ALA 33 -3.666 -18.201 -6.903 229 HA ALA 33 HA ALA 33 -5.147 -19.103 -4.747 230 HB1 ALA 33 HB1 ALA 33 -2.739 -18.612 -4.643 231 HB2 ALA 33 HB2 ALA 33 -3.599 -17.828 -3.318 232 HB3 ALA 33 HB3 ALA 33 -3.080 -16.880 -4.711 233 H CYS 34 HN CYS 34 -5.105 -15.808 -6.094 234 HA CYS 34 HA CYS 34 -6.623 -14.467 -4.132 235 HB2 CYS 34 HB2 CYS 34 -5.956 -13.864 -7.018 236 HB3 CYS 34 HB1 CYS 34 -7.188 -12.896 -6.226 237 H ILE 35 HN ILE 35 -7.685 -15.878 -7.257 238 HA ILE 35 HA ILE 35 -10.414 -15.068 -6.866 239 HB ILE 35 HB ILE 35 -9.481 -15.117 -9.120 240 HG12 ILE 35 HG12 ILE 35 -11.297 -16.387 -10.321 241 HG13 ILE 35 HG11 ILE 35 -11.738 -17.161 -8.804 242 HG21 ILE 35 HG21 ILE 35 -8.948 -17.209 -10.303 243 HG22 ILE 35 HG22 ILE 35 -9.234 -18.123 -8.821 244 HG23 ILE 35 HG23 ILE 35 -7.907 -16.963 -8.900 245 HD11 ILE 35 HD11 ILE 35 -13.251 -15.346 -9.388 246 HD12 ILE 35 HD12 ILE 35 -11.910 -14.201 -9.385 247 HD13 ILE 35 HD13 ILE 35 -12.398 -14.996 -7.884 248 H ASN 36 HN ASN 36 -8.646 -18.117 -6.429 249 HA ASN 36 HA ASN 36 -10.823 -19.858 -6.054 250 HB2 ASN 36 HB2 ASN 36 -7.965 -19.942 -5.023 251 HB3 ASN 36 HB1 ASN 36 -9.118 -21.234 -4.700 252 HD21 ASN 36 HD21 ASN 36 -7.809 -22.693 -5.814 253 HD22 ASN 36 HD22 ASN 36 -7.725 -22.714 -7.539 254 H GLN 37 HN GLN 37 -8.931 -17.984 -3.686 255 HA GLN 37 HA GLN 37 -10.362 -18.712 -1.348 256 HB2 GLN 37 HB2 GLN 37 -8.123 -17.672 -1.304 257 HB3 GLN 37 HB1 GLN 37 -8.772 -16.190 -1.999 258 HG2 GLN 37 HG2 GLN 37 -10.105 -15.806 0.042 259 HG3 GLN 37 HG1 GLN 37 -9.491 -17.312 0.728 260 HE21 GLN 37 HE21 GLN 37 -7.367 -17.375 1.515 261 HE22 GLN 37 HE22 GLN 37 -6.427 -15.947 1.766 262 H HIS 38 HN HIS 38 -10.892 -16.275 -3.813 263 HA HIS 38 HA HIS 38 -12.890 -14.724 -2.480 264 HB2 HIS 38 HB2 HIS 38 -11.425 -13.813 -4.230 265 HB3 HIS 38 HB1 HIS 38 -12.118 -14.908 -5.417 266 HD2 HIS 38 HD2 HIS 38 -14.250 -13.876 -6.768 267 HE1 HIS 38 HE1 HIS 38 -14.891 -10.568 -4.221 268 HE2 HIS 38 HE2 HIS 38 -15.383 -11.573 -6.480 269 H LEU 39 HN LEU 39 -13.005 -17.482 -4.733 270 HA LEU 39 HA LEU 39 -15.710 -17.222 -5.551 271 HB2 LEU 39 HB2 LEU 39 -13.810 -19.579 -5.623 272 HB3 LEU 39 HB1 LEU 39 -15.448 -19.688 -6.248 273 HG LEU 39 HG LEU 39 -13.310 -17.781 -7.293 274 HD11 LEU 39 HD11 LEU 39 -14.375 -20.329 -8.539 275 HD12 LEU 39 HD12 LEU 39 -12.765 -20.093 -7.859 276 HD13 LEU 39 HD13 LEU 39 -13.248 -19.198 -9.296 277 HD21 LEU 39 HD21 LEU 39 -14.881 -17.309 -9.135 278 HD22 LEU 39 HD22 LEU 39 -15.551 -16.830 -7.579 279 HD23 LEU 39 HD23 LEU 39 -16.106 -18.315 -8.355 280 H MET 40 HN MET 40 -14.362 -18.428 -2.646 281 HA MET 40 HA MET 40 -16.476 -20.111 -1.754 282 HB2 MET 40 HB2 MET 40 -14.455 -18.482 -0.164 283 HB3 MET 40 HB1 MET 40 -15.510 -19.705 0.530 284 HG2 MET 40 HG2 MET 40 -14.417 -21.435 -0.829 285 HG3 MET 40 HG1 MET 40 -13.380 -20.212 -1.562 286 HE1 MET 40 HE1 MET 40 -14.309 -22.090 1.784 287 HE2 MET 40 HE2 MET 40 -14.474 -20.402 2.269 288 HE3 MET 40 HE3 MET 40 -13.155 -21.382 2.913 289 H ASN 41 HN ASN 41 -16.046 -16.649 -1.817 290 HA ASN 41 HA ASN 41 -18.574 -16.179 -0.351 291 HB2 ASN 41 HB2 ASN 41 -16.662 -14.947 0.560 292 HB3 ASN 41 HB1 ASN 41 -16.265 -14.309 -1.031 293 HD21 ASN 41 HD21 ASN 41 -16.407 -12.164 -0.366 294 HD22 ASN 41 HD22 ASN 41 -17.903 -11.398 0.037 295 H ASN 42 HN ASN 42 -16.867 -14.523 -3.064 296 HA ASN 42 HA ASN 42 -19.484 -14.169 -4.441 297 HB2 ASN 42 HB2 ASN 42 -17.085 -12.285 -4.432 298 HB3 ASN 42 HB1 ASN 42 -18.562 -12.035 -5.352 299 HD21 ASN 42 HD21 ASN 42 -17.350 -10.307 -3.416 300 HD22 ASN 42 HD22 ASN 42 -18.513 -10.062 -2.161 301 H LYS 43 HN LYS 43 -19.306 -13.845 -6.782 302 HA LYS 43 HA LYS 43 -17.024 -15.229 -8.086 303 HB2 LYS 43 HB2 LYS 43 -19.987 -15.432 -8.828 304 HB3 LYS 43 HB1 LYS 43 -18.662 -16.162 -9.730 305 HG2 LYS 43 HG2 LYS 43 -18.121 -17.586 -7.763 306 HG3 LYS 43 HG1 LYS 43 -19.480 -16.876 -6.892 307 HD2 LYS 43 HD2 LYS 43 -21.036 -17.774 -8.615 308 HD3 LYS 43 HD1 LYS 43 -19.669 -18.512 -9.452 309 HE2 LYS 43 HE2 LYS 43 -19.214 -19.914 -7.459 310 HE3 LYS 43 HE1 LYS 43 -20.586 -19.178 -6.629 311 HZ1 LYS 43 HZ1 LYS 43 -20.707 -20.829 -9.098 312 HZ2 LYS 43 HZ2 LYS 43 -22.031 -20.070 -8.380 313 HZ3 LYS 43 HZ3 LYS 43 -21.213 -21.295 -7.553 314 H ASP 44 HN ASP 44 -16.993 -12.534 -7.640 315 HA ASP 44 HA ASP 44 -17.608 -11.334 -10.286 316 HB2 ASP 44 HB2 ASP 44 -17.703 -9.171 -9.277 317 HB3 ASP 44 HB1 ASP 44 -18.649 -10.229 -8.249 318 H CYS 45 HN CYS 45 -16.013 -9.515 -10.809 319 HA CYS 45 HA CYS 45 -13.398 -10.829 -11.104 320 HB2 CYS 45 HB2 CYS 45 -14.647 -10.271 -13.132 321 HB3 CYS 45 HB1 CYS 45 -14.792 -8.593 -12.636 322 H PHE 46 HN PHE 46 -14.060 -9.376 -8.624 323 HA PHE 46 HA PHE 46 -13.097 -8.117 -7.047 324 HB2 PHE 46 HB2 PHE 46 -10.685 -8.334 -8.893 325 HB3 PHE 46 HB1 PHE 46 -10.600 -7.584 -7.308 326 HD1 PHE 46 HD2 PHE 46 -11.431 -10.825 -9.006 327 HD2 PHE 46 HD1 PHE 46 -10.154 -8.907 -5.406 328 HE1 PHE 46 HE2 PHE 46 -10.867 -13.007 -8.026 329 HE2 PHE 46 HE1 PHE 46 -9.598 -11.092 -4.442 330 HZ PHE 46 HZ PHE 46 -9.950 -13.143 -5.751 331 H PHE 47 HN PHE 47 -11.417 -6.622 -9.780 332 HA PHE 47 HA PHE 47 -11.431 -4.078 -8.514 333 HB2 PHE 47 HB2 PHE 47 -10.562 -4.649 -11.379 334 HB3 PHE 47 HB1 PHE 47 -9.958 -3.395 -10.298 335 HD1 PHE 47 HD1 PHE 47 -8.531 -4.090 -8.286 336 HD2 PHE 47 HD2 PHE 47 -9.587 -6.849 -11.388 337 HE1 PHE 47 HE1 PHE 47 -6.748 -5.624 -7.548 338 HE2 PHE 47 HE2 PHE 47 -7.802 -8.361 -10.645 339 HZ PHE 47 HZ PHE 47 -6.384 -7.753 -8.731 340 H CYS 48 HN CYS 48 -13.296 -5.491 -11.133 341 HA CYS 48 HA CYS 48 -14.785 -2.942 -11.526 342 HB2 CYS 48 HB2 CYS 48 -15.090 -3.495 -13.840 343 HB3 CYS 48 HB1 CYS 48 -13.383 -3.793 -13.503 344 H LYS 49 HN LYS 49 -14.979 -6.049 -10.304 345 HA LYS 49 HA LYS 49 -16.568 -7.446 -9.573 346 HB2 LYS 49 HB2 LYS 49 -18.285 -4.951 -9.760 347 HB3 LYS 49 HB1 LYS 49 -18.809 -6.431 -8.965 348 HG2 LYS 49 HG2 LYS 49 -16.931 -6.212 -7.350 349 HG3 LYS 49 HG1 LYS 49 -16.442 -4.712 -8.142 350 HD2 LYS 49 HD2 LYS 49 -17.746 -4.255 -6.095 351 HD3 LYS 49 HD1 LYS 49 -18.576 -3.655 -7.531 352 HE2 LYS 49 HE2 LYS 49 -20.061 -5.630 -7.508 353 HE3 LYS 49 HE1 LYS 49 -19.218 -6.252 -6.089 354 HZ1 LYS 49 HZ1 LYS 49 -20.750 -3.711 -6.212 355 HZ2 LYS 49 HZ2 LYS 49 -19.939 -4.304 -4.856 356 HZ3 LYS 49 HZ3 LYS 49 -21.267 -5.144 -5.476 357 H THR 50 HN THR 50 -16.420 -7.004 -12.678 358 HA THR 50 HA THR 50 -18.911 -7.750 -13.776 359 HB THR 50 HB THR 50 -16.124 -8.498 -14.795 360 HG1 THR 50 HG1 THR 50 -17.757 -6.217 -15.317 361 HG21 THR 50 HG21 THR 50 -17.889 -9.783 -15.959 362 HG22 THR 50 HG22 THR 50 -17.189 -8.577 -17.039 363 HG23 THR 50 HG23 THR 50 -18.767 -8.290 -16.304 364 H THR 51 HN THR 51 -19.948 -9.727 -13.934 365 HA THR 51 HA THR 51 -19.430 -11.855 -12.208 366 HB THR 51 HB THR 51 -21.007 -11.989 -14.817 367 HG1 THR 51 HG1 THR 51 -22.183 -10.549 -13.808 368 HG21 THR 51 HG21 THR 51 -20.630 -14.238 -13.845 369 HG22 THR 51 HG22 THR 51 -22.321 -13.767 -13.687 370 HG23 THR 51 HG23 THR 51 -21.249 -13.685 -12.288 371 H ILE 52 HN ILE 52 -18.098 -13.573 -12.324 372 HA ILE 52 HA ILE 52 -16.116 -13.845 -14.333 373 HB ILE 52 HB ILE 52 -16.927 -15.848 -12.169 374 HG12 ILE 52 HG12 ILE 52 -16.164 -13.654 -11.228 375 HG13 ILE 52 HG11 ILE 52 -15.061 -14.963 -10.827 376 HG21 ILE 52 HG21 ILE 52 -14.703 -16.863 -12.501 377 HG22 ILE 52 HG22 ILE 52 -14.387 -15.763 -13.845 378 HG23 ILE 52 HG23 ILE 52 -15.682 -16.961 -13.962 379 HD11 ILE 52 HD11 ILE 52 -13.514 -14.195 -12.559 380 HD12 ILE 52 HD12 ILE 52 -13.874 -12.920 -11.396 381 HD13 ILE 52 HD13 ILE 52 -14.634 -12.898 -12.986 382 H VAL 53 HN VAL 53 -16.927 -14.265 -16.361 383 HA VAL 53 HA VAL 53 -18.809 -16.345 -16.983 384 HB VAL 53 HB VAL 53 -16.822 -14.859 -18.771 385 HG11 VAL 53 HG11 VAL 53 -18.199 -15.624 -20.690 386 HG12 VAL 53 HG12 VAL 53 -19.155 -16.631 -19.599 387 HG13 VAL 53 HG13 VAL 53 -17.443 -16.974 -19.842 388 HG21 VAL 53 HG21 VAL 53 -18.493 -13.372 -17.736 389 HG22 VAL 53 HG22 VAL 53 -19.803 -14.397 -18.325 390 HG23 VAL 53 HG23 VAL 53 -18.785 -13.519 -19.468 391 H SER 54 HN SER 54 -15.266 -16.059 -16.920 392 HA SER 54 HA SER 54 -15.003 -18.892 -16.372 393 HB2 SER 54 HB2 SER 54 -13.316 -19.204 -18.262 394 HB3 SER 54 HB1 SER 54 -14.985 -19.016 -18.792 395 HG SER 54 HG SER 54 -12.822 -17.422 -19.266 396 H VAL 55 HN VAL 55 -13.452 -19.125 -14.848 397 HA VAL 55 HA VAL 55 -11.204 -17.262 -14.576 398 HB VAL 55 HB VAL 55 -11.631 -19.902 -13.066 399 HG11 VAL 55 HG11 VAL 55 -9.982 -19.004 -11.460 400 HG12 VAL 55 HG12 VAL 55 -9.786 -17.560 -12.453 401 HG13 VAL 55 HG13 VAL 55 -9.297 -19.135 -13.080 402 HG21 VAL 55 HG21 VAL 55 -12.368 -17.107 -12.115 403 HG22 VAL 55 HG22 VAL 55 -12.426 -18.579 -11.142 404 HG23 VAL 55 HG23 VAL 55 -13.496 -18.400 -12.531 405 H GLU 56 HN GLU 56 -9.527 -17.557 -15.920 406 HA GLU 56 HA GLU 56 -8.766 -20.307 -16.714 407 HB2 GLU 56 HB2 GLU 56 -8.783 -17.762 -18.378 408 HB3 GLU 56 HB1 GLU 56 -7.878 -19.200 -18.852 409 HG2 GLU 56 HG2 GLU 56 -9.907 -20.520 -19.017 410 HG3 GLU 56 HG1 GLU 56 -10.866 -19.216 -18.316 411 H ASP 57 HN ASP 57 -6.755 -20.880 -16.333 412 HA ASP 57 HA ASP 57 -4.905 -19.397 -14.811 413 HB2 ASP 57 HB2 ASP 57 -3.278 -21.208 -15.458 414 HB3 ASP 57 HB1 ASP 57 -4.802 -21.826 -14.837 415 H TRP 58 HN TRP 58 -2.716 -18.699 -15.520 416 HA TRP 58 HA TRP 58 -2.456 -17.906 -18.320 417 HB2 TRP 58 HB2 TRP 58 -3.773 -16.088 -17.048 418 HB3 TRP 58 HB1 TRP 58 -2.296 -15.775 -16.135 419 HD1 TRP 58 HD1 TRP 58 -3.760 -15.485 -19.678 420 HE1 TRP 58 HE1 TRP 58 -2.326 -13.839 -21.032 421 HE3 TRP 58 HE3 TRP 58 0.015 -14.748 -16.318 422 HZ2 TRP 58 HZ2 TRP 58 0.085 -12.421 -20.721 423 HZ3 TRP 58 HZ3 TRP 58 1.849 -13.235 -16.923 424 HH2 TRP 58 HH2 TRP 58 1.899 -12.095 -19.082 425 H GLU 59 HN GLU 59 -0.337 -17.546 -18.943 426 HA GLU 59 HA GLU 59 1.783 -18.191 -16.989 427 HB2 GLU 59 HB2 GLU 59 1.078 -20.240 -18.215 428 HB3 GLU 59 HB1 GLU 59 1.381 -19.437 -19.750 429 HG2 GLU 59 HG2 GLU 59 3.161 -21.033 -19.138 430 HG3 GLU 59 HG1 GLU 59 3.768 -19.390 -19.314 431 H LYS 60 HN LYS 60 3.780 -17.247 -17.372 432 HA LYS 60 HA LYS 60 3.991 -14.945 -19.078 433 HB2 LYS 60 HB2 LYS 60 6.112 -16.474 -17.515 434 HB3 LYS 60 HB1 LYS 60 6.377 -14.919 -18.290 435 HG2 LYS 60 HG2 LYS 60 4.454 -15.450 -16.011 436 HG3 LYS 60 HG1 LYS 60 6.042 -14.691 -15.863 437 HD2 LYS 60 HD2 LYS 60 5.271 -12.835 -17.329 438 HD3 LYS 60 HD1 LYS 60 3.685 -13.599 -17.441 439 HE2 LYS 60 HE2 LYS 60 3.574 -11.832 -15.812 440 HE3 LYS 60 HE1 LYS 60 3.451 -13.377 -14.970 441 HZ1 LYS 60 HZ1 LYS 60 4.919 -11.790 -13.865 442 HZ2 LYS 60 HZ2 LYS 60 5.928 -11.763 -15.216 443 HZ3 LYS 60 HZ3 LYS 60 5.752 -13.188 -14.327 444 H GLY 61 HN GLY 61 5.200 -18.272 -19.134 445 HA2 GLY 61 HA2 GLY 61 5.289 -19.434 -21.304 446 HA3 GLY 61 HA1 GLY 61 6.043 -17.993 -21.980 Start of MODEL 19 1 H1 SER 1 HT1 SER 1 27.214 -3.664 -5.871 2 H2 SER 1 HT2 SER 1 26.630 -5.245 -5.796 3 H3 SER 1 HT3 SER 1 27.045 -4.433 -4.376 4 HA SER 1 HA SER 1 25.289 -2.868 -4.693 5 HB2 SER 1 HB2 SER 1 23.636 -3.329 -6.583 6 HB3 SER 1 HB1 SER 1 25.227 -2.786 -7.116 7 HG SER 1 HG SER 1 24.891 -4.488 -8.373 8 H HIS 2 HN HIS 2 23.668 -3.311 -3.286 9 HA HIS 2 HA HIS 2 22.682 -6.101 -3.011 10 HB2 HIS 2 HB2 HIS 2 22.125 -5.614 -0.710 11 HB3 HIS 2 HB1 HIS 2 23.772 -5.057 -0.963 12 HD2 HIS 2 HD2 HIS 2 23.931 -2.117 -1.299 13 HE1 HIS 2 HE1 HIS 2 20.367 -1.571 0.911 14 HE2 HIS 2 HE2 HIS 2 22.323 -0.409 -0.196 15 H MET 3 HN MET 3 20.325 -6.195 -2.352 16 HA MET 3 HA MET 3 18.139 -5.932 -2.787 17 HB2 MET 3 HB2 MET 3 18.334 -3.860 -1.464 18 HB3 MET 3 HB1 MET 3 18.787 -2.964 -2.908 19 HG2 MET 3 HG2 MET 3 16.563 -3.435 -3.883 20 HG3 MET 3 HG1 MET 3 16.115 -4.299 -2.410 21 HE1 MET 3 HE1 MET 3 14.008 -0.979 -2.193 22 HE2 MET 3 HE2 MET 3 13.935 -2.738 -2.186 23 HE3 MET 3 HE3 MET 3 14.395 -1.878 -3.659 24 HA PRO 4 HA PRO 4 18.459 -5.703 -7.382 25 HB2 PRO 4 HB2 PRO 4 17.144 -8.266 -7.596 26 HB3 PRO 4 HB1 PRO 4 18.845 -7.907 -7.898 27 HG2 PRO 4 HG2 PRO 4 17.881 -9.469 -5.781 28 HG3 PRO 4 HG1 PRO 4 19.493 -8.741 -5.879 29 HD2 PRO 4 HD2 PRO 4 17.077 -7.801 -4.362 30 HD3 PRO 4 HD1 PRO 4 18.799 -7.699 -3.927 31 H THR 5 HN THR 5 16.945 -4.039 -7.403 32 HA THR 5 HA THR 5 14.232 -4.244 -6.582 33 HB THR 5 HB THR 5 13.939 -2.031 -7.751 34 HG1 THR 5 HG1 THR 5 15.501 -1.232 -9.035 35 HG21 THR 5 HG21 THR 5 15.550 -0.740 -6.387 36 HG22 THR 5 HG22 THR 5 16.485 -2.209 -6.095 37 HG23 THR 5 HG23 THR 5 14.852 -2.064 -5.447 38 H SER 6 HN SER 6 12.377 -4.658 -7.751 39 HA SER 6 HA SER 6 12.563 -5.466 -10.577 40 HB2 SER 6 HB2 SER 6 12.959 -7.510 -9.260 41 HB3 SER 6 HB1 SER 6 11.501 -7.212 -8.314 42 HG SER 6 HG SER 6 10.280 -7.819 -9.955 43 H GLU 7 HN GLU 7 11.263 -3.708 -11.179 44 HA GLU 7 HA GLU 7 8.488 -3.585 -10.272 45 HB2 GLU 7 HB2 GLU 7 9.893 -2.129 -12.560 46 HB3 GLU 7 HB1 GLU 7 8.238 -1.834 -12.026 47 HG2 GLU 7 HG2 GLU 7 9.122 -1.150 -9.785 48 HG3 GLU 7 HG1 GLU 7 10.763 -1.337 -10.402 49 H GLU 8 HN GLU 8 7.343 -5.321 -10.850 50 HA GLU 8 HA GLU 8 7.781 -6.611 -13.485 51 HB2 GLU 8 HB2 GLU 8 8.916 -7.688 -11.438 52 HB3 GLU 8 HB1 GLU 8 7.309 -8.051 -10.833 53 HG2 GLU 8 HG2 GLU 8 6.893 -9.549 -12.708 54 HG3 GLU 8 HG1 GLU 8 8.412 -9.072 -13.470 55 H ASP 9 HN ASP 9 5.829 -8.411 -13.624 56 HA ASP 9 HA ASP 9 3.393 -6.898 -13.926 57 HB2 ASP 9 HB2 ASP 9 3.931 -9.866 -14.386 58 HB3 ASP 9 HB1 ASP 9 2.539 -8.968 -14.985 59 H LEU 10 HN LEU 10 3.891 -6.960 -11.175 60 HA LEU 10 HA LEU 10 3.113 -9.336 -9.818 61 HB2 LEU 10 HB2 LEU 10 3.418 -6.519 -8.724 62 HB3 LEU 10 HB1 LEU 10 3.359 -7.992 -7.765 63 HG LEU 10 HG LEU 10 5.560 -7.214 -9.724 64 HD11 LEU 10 HD11 LEU 10 5.626 -7.437 -6.699 65 HD12 LEU 10 HD12 LEU 10 5.645 -5.937 -7.628 66 HD13 LEU 10 HD13 LEU 10 7.002 -7.058 -7.740 67 HD21 LEU 10 HD21 LEU 10 5.363 -9.734 -8.012 68 HD22 LEU 10 HD22 LEU 10 6.758 -9.259 -8.980 69 HD23 LEU 10 HD23 LEU 10 5.241 -9.668 -9.772 70 H CYS 11 HN CYS 11 1.246 -9.982 -8.995 71 HA CYS 11 HA CYS 11 -1.284 -8.962 -9.634 72 HB2 CYS 11 HB2 CYS 11 -0.897 -11.308 -8.890 73 HB3 CYS 11 HB1 CYS 11 -0.450 -10.740 -7.287 74 HA PRO 12 HA PRO 12 -0.980 -5.235 -6.984 75 HB2 PRO 12 HB2 PRO 12 -3.943 -5.071 -7.538 76 HB3 PRO 12 HB1 PRO 12 -2.693 -3.832 -7.732 77 HG2 PRO 12 HG2 PRO 12 -3.647 -5.071 -9.887 78 HG3 PRO 12 HG1 PRO 12 -1.902 -4.758 -9.747 79 HD2 PRO 12 HD2 PRO 12 -3.405 -7.335 -9.267 80 HD3 PRO 12 HD1 PRO 12 -1.878 -7.069 -10.137 81 H ILE 13 HN ILE 13 -3.070 -7.889 -6.403 82 HA ILE 13 HA ILE 13 -4.210 -7.022 -3.902 83 HB ILE 13 HB ILE 13 -4.244 -9.821 -5.158 84 HG12 ILE 13 HG12 ILE 13 -6.732 -9.133 -5.732 85 HG13 ILE 13 HG11 ILE 13 -6.170 -7.481 -5.538 86 HG21 ILE 13 HG21 ILE 13 -4.758 -9.878 -2.755 87 HG22 ILE 13 HG22 ILE 13 -6.201 -10.261 -3.694 88 HG23 ILE 13 HG23 ILE 13 -6.019 -8.660 -2.970 89 HD11 ILE 13 HD11 ILE 13 -5.138 -9.478 -7.542 90 HD12 ILE 13 HD12 ILE 13 -4.605 -7.802 -7.384 91 HD13 ILE 13 HD13 ILE 13 -6.265 -8.163 -7.860 92 H CYS 14 HN CYS 14 -1.231 -8.586 -4.837 93 HA CYS 14 HA CYS 14 -0.863 -9.859 -2.185 94 HB2 CYS 14 HB2 CYS 14 -0.373 -11.242 -4.840 95 HB3 CYS 14 HB1 CYS 14 -0.181 -11.946 -3.233 96 H TYR 15 HN TYR 15 0.702 -8.964 -5.239 97 HA TYR 15 HA TYR 15 2.627 -7.966 -5.794 98 HB2 TYR 15 HB2 TYR 15 3.362 -7.941 -2.841 99 HB3 TYR 15 HB1 TYR 15 4.277 -7.150 -4.119 100 HD1 TYR 15 HD2 TYR 15 3.231 -5.194 -5.368 101 HD2 TYR 15 HD1 TYR 15 1.417 -6.869 -1.872 102 HE1 TYR 15 HE2 TYR 15 1.898 -3.152 -5.070 103 HE2 TYR 15 HE1 TYR 15 0.086 -4.822 -1.587 104 HH TYR 15 HH TYR 15 0.204 -2.473 -2.205 105 H ALA 16 HN ALA 16 2.843 -10.794 -3.672 106 HA ALA 16 HA ALA 16 5.631 -11.257 -4.106 107 HB1 ALA 16 HB1 ALA 16 5.302 -13.250 -2.731 108 HB2 ALA 16 HB2 ALA 16 3.553 -13.077 -2.873 109 HB3 ALA 16 HB3 ALA 16 4.489 -11.860 -2.010 110 H HIS 17 HN HIS 17 2.993 -11.969 -6.166 111 HA HIS 17 HA HIS 17 4.750 -13.669 -7.812 112 HB2 HIS 17 HB2 HIS 17 1.887 -14.422 -7.070 113 HB3 HIS 17 HB1 HIS 17 2.690 -15.085 -8.485 114 HD1 HIS 17 HD1 HIS 17 4.279 -17.028 -8.123 115 HD2 HIS 17 HD2 HIS 17 2.978 -15.361 -4.554 116 HE1 HIS 17 HE1 HIS 17 4.965 -18.643 -6.335 117 HE2 HIS 17 HE2 HIS 17 4.327 -17.522 -4.179 118 HA PRO 18 HA PRO 18 3.120 -10.778 -10.846 119 HB2 PRO 18 HB2 PRO 18 4.680 -11.397 -12.929 120 HB3 PRO 18 HB1 PRO 18 5.387 -10.756 -11.438 121 HG2 PRO 18 HG2 PRO 18 5.298 -13.601 -12.428 122 HG3 PRO 18 HG1 PRO 18 6.622 -12.737 -11.616 123 HD2 PRO 18 HD2 PRO 18 4.767 -14.459 -10.361 124 HD3 PRO 18 HD1 PRO 18 5.820 -13.297 -9.528 125 H ILE 19 HN ILE 19 0.956 -11.780 -10.827 126 HA ILE 19 HA ILE 19 -0.945 -12.584 -11.747 127 HB ILE 19 HB ILE 19 0.623 -12.536 -14.359 128 HG12 ILE 19 HG12 ILE 19 -1.239 -10.404 -13.204 129 HG13 ILE 19 HG11 ILE 19 0.513 -10.299 -13.235 130 HG21 ILE 19 HG21 ILE 19 -2.401 -12.605 -13.991 131 HG22 ILE 19 HG22 ILE 19 -1.406 -13.926 -14.603 132 HG23 ILE 19 HG23 ILE 19 -1.561 -12.437 -15.536 133 HD11 ILE 19 HD11 ILE 19 -1.319 -10.318 -15.631 134 HD12 ILE 19 HD12 ILE 19 0.444 -10.261 -15.701 135 HD13 ILE 19 HD13 ILE 19 -0.456 -8.932 -14.968 136 H SER 20 HN SER 20 -2.027 -14.565 -12.461 137 HA SER 20 HA SER 20 -0.530 -16.810 -13.445 138 HB2 SER 20 HB2 SER 20 -0.064 -16.963 -10.996 139 HB3 SER 20 HB1 SER 20 -1.793 -17.052 -10.678 140 HG SER 20 HG SER 20 -1.038 -18.907 -12.512 141 H ALA 21 HN ALA 21 -3.421 -15.074 -13.210 142 HA ALA 21 HA ALA 21 -4.943 -17.092 -14.635 143 HB1 ALA 21 HB1 ALA 21 -6.856 -17.084 -13.082 144 HB2 ALA 21 HB2 ALA 21 -5.982 -16.029 -11.967 145 HB3 ALA 21 HB3 ALA 21 -5.405 -17.668 -12.266 146 H VAL 22 HN VAL 22 -6.166 -16.153 -16.154 147 HA VAL 22 HA VAL 22 -6.792 -13.279 -16.045 148 HB VAL 22 HB VAL 22 -5.579 -13.991 -18.064 149 HG11 VAL 22 HG11 VAL 22 -6.280 -16.352 -18.201 150 HG12 VAL 22 HG12 VAL 22 -6.546 -15.531 -19.741 151 HG13 VAL 22 HG13 VAL 22 -7.908 -15.854 -18.668 152 HG21 VAL 22 HG21 VAL 22 -7.095 -13.058 -19.800 153 HG22 VAL 22 HG22 VAL 22 -7.155 -12.117 -18.309 154 HG23 VAL 22 HG23 VAL 22 -8.464 -13.237 -18.699 155 H PHE 23 HN PHE 23 -8.834 -12.580 -15.898 156 HA PHE 23 HA PHE 23 -10.990 -14.513 -15.406 157 HB2 PHE 23 HB2 PHE 23 -10.887 -11.502 -14.894 158 HB3 PHE 23 HB1 PHE 23 -12.218 -12.571 -14.445 159 HD1 PHE 23 HD1 PHE 23 -10.618 -14.940 -13.440 160 HD2 PHE 23 HD2 PHE 23 -10.179 -10.736 -12.754 161 HE1 PHE 23 HE1 PHE 23 -9.589 -15.399 -11.263 162 HE2 PHE 23 HE2 PHE 23 -9.153 -11.218 -10.579 163 HZ PHE 23 HZ PHE 23 -8.858 -13.544 -9.833 164 H GLN 24 HN GLN 24 -11.794 -15.122 -17.344 165 HA GLN 24 HA GLN 24 -12.471 -13.165 -19.403 166 HB2 GLN 24 HB2 GLN 24 -12.231 -16.169 -19.289 167 HB3 GLN 24 HB1 GLN 24 -13.268 -15.468 -20.536 168 HG2 GLN 24 HG2 GLN 24 -11.415 -14.126 -21.373 169 HG3 GLN 24 HG1 GLN 24 -10.348 -14.750 -20.114 170 HE21 GLN 24 HE21 GLN 24 -9.586 -16.881 -20.298 171 HE22 GLN 24 HE22 GLN 24 -9.679 -17.764 -21.776 172 HA PRO 25 HA PRO 25 -13.832 -13.244 -21.213 173 HB2 PRO 25 HB2 PRO 25 -16.228 -11.927 -22.100 174 HB3 PRO 25 HB1 PRO 25 -15.741 -13.588 -22.451 175 HG2 PRO 25 HG2 PRO 25 -17.955 -12.897 -20.900 176 HG3 PRO 25 HG1 PRO 25 -17.125 -14.466 -20.860 177 HD2 PRO 25 HD2 PRO 25 -16.740 -12.094 -19.006 178 HD3 PRO 25 HD1 PRO 25 -16.935 -13.820 -18.600 179 H CYS 26 HN CYS 26 -13.544 -11.517 -18.758 180 HA CYS 26 HA CYS 26 -13.952 -8.798 -19.681 181 HB2 CYS 26 HB2 CYS 26 -14.295 -9.209 -17.298 182 HB3 CYS 26 HB1 CYS 26 -12.650 -9.840 -17.133 183 H GLY 27 HN GLY 27 -10.979 -10.374 -18.390 184 HA2 GLY 27 HA2 GLY 27 -9.032 -10.405 -20.026 185 HA3 GLY 27 HA1 GLY 27 -9.346 -8.687 -20.203 186 H HIS 28 HN HIS 28 -10.016 -8.303 -17.370 187 HA HIS 28 HA HIS 28 -7.550 -7.671 -16.232 188 HB2 HIS 28 HB2 HIS 28 -10.281 -8.089 -14.955 189 HB3 HIS 28 HB1 HIS 28 -8.878 -7.693 -13.968 190 HD2 HIS 28 HD2 HIS 28 -7.584 -5.311 -15.764 191 HE1 HIS 28 HE1 HIS 28 -11.401 -3.555 -15.365 192 HE2 HIS 28 HE2 HIS 28 -8.965 -3.127 -15.856 193 H LYS 29 HN LYS 29 -6.099 -8.734 -15.029 194 HA LYS 29 HA LYS 29 -6.480 -11.620 -14.511 195 HB2 LYS 29 HB2 LYS 29 -3.877 -10.140 -15.093 196 HB3 LYS 29 HB1 LYS 29 -4.092 -11.885 -14.959 197 HG2 LYS 29 HG2 LYS 29 -5.493 -11.861 -16.992 198 HG3 LYS 29 HG1 LYS 29 -5.280 -10.114 -17.114 199 HD2 LYS 29 HD2 LYS 29 -2.794 -10.511 -17.332 200 HD3 LYS 29 HD1 LYS 29 -3.131 -12.246 -17.396 201 HE2 LYS 29 HE2 LYS 29 -2.850 -11.279 -19.659 202 HE3 LYS 29 HE1 LYS 29 -4.471 -11.937 -19.417 203 HZ1 LYS 29 HZ1 LYS 29 -5.313 -9.727 -19.049 204 HZ2 LYS 29 HZ2 LYS 29 -4.479 -9.758 -20.519 205 HZ3 LYS 29 HZ3 LYS 29 -3.761 -9.068 -19.154 206 H SER 30 HN SER 30 -5.745 -12.432 -12.594 207 HA SER 30 HA SER 30 -4.034 -10.850 -10.820 208 HB2 SER 30 HB2 SER 30 -5.344 -11.269 -8.834 209 HB3 SER 30 HB1 SER 30 -6.483 -10.642 -10.024 210 HG SER 30 HG SER 30 -6.881 -12.953 -10.493 211 H CYS 31 HN CYS 31 -4.031 -12.980 -8.801 212 HA CYS 31 HA CYS 31 -2.709 -15.128 -10.326 213 HB2 CYS 31 HB2 CYS 31 -1.614 -15.713 -8.242 214 HB3 CYS 31 HB1 CYS 31 -1.450 -13.979 -8.490 215 H LYS 32 HN LYS 32 -3.100 -17.393 -9.537 216 HA LYS 32 HA LYS 32 -5.841 -18.100 -9.626 217 HB2 LYS 32 HB2 LYS 32 -3.355 -19.709 -8.917 218 HB3 LYS 32 HB1 LYS 32 -4.951 -20.435 -9.094 219 HG2 LYS 32 HG2 LYS 32 -5.015 -19.847 -11.460 220 HG3 LYS 32 HG1 LYS 32 -3.506 -18.945 -11.310 221 HD2 LYS 32 HD2 LYS 32 -3.112 -21.157 -12.344 222 HD3 LYS 32 HD1 LYS 32 -2.279 -21.013 -10.796 223 HE2 LYS 32 HE2 LYS 32 -4.158 -22.302 -9.725 224 HE3 LYS 32 HE1 LYS 32 -4.864 -22.532 -11.326 225 HZ1 LYS 32 HZ1 LYS 32 -2.776 -23.641 -11.966 226 HZ2 LYS 32 HZ2 LYS 32 -3.621 -24.440 -10.740 227 HZ3 LYS 32 HZ3 LYS 32 -2.250 -23.526 -10.360 228 H ALA 33 HN ALA 33 -3.523 -17.801 -6.975 229 HA ALA 33 HA ALA 33 -4.981 -18.917 -4.859 230 HB1 ALA 33 HB1 ALA 33 -3.002 -16.614 -4.744 231 HB2 ALA 33 HB2 ALA 33 -2.591 -18.329 -4.709 232 HB3 ALA 33 HB3 ALA 33 -3.507 -17.612 -3.381 233 H CYS 34 HN CYS 34 -5.196 -15.745 -6.362 234 HA CYS 34 HA CYS 34 -6.847 -14.421 -4.490 235 HB2 CYS 34 HB2 CYS 34 -6.088 -13.892 -7.335 236 HB3 CYS 34 HB1 CYS 34 -7.583 -13.149 -6.792 237 H ILE 35 HN ILE 35 -7.705 -16.176 -7.515 238 HA ILE 35 HA ILE 35 -10.494 -15.652 -7.188 239 HB ILE 35 HB ILE 35 -9.569 -15.947 -9.439 240 HG12 ILE 35 HG12 ILE 35 -11.324 -17.461 -10.382 241 HG13 ILE 35 HG11 ILE 35 -11.646 -18.091 -8.772 242 HG21 ILE 35 HG21 ILE 35 -8.896 -18.143 -10.335 243 HG22 ILE 35 HG22 ILE 35 -9.077 -18.856 -8.731 244 HG23 ILE 35 HG23 ILE 35 -7.845 -17.627 -9.014 245 HD11 ILE 35 HD11 ILE 35 -12.076 -15.241 -9.673 246 HD12 ILE 35 HD12 ILE 35 -12.437 -15.887 -8.069 247 HD13 ILE 35 HD13 ILE 35 -13.319 -16.476 -9.478 248 H ASN 36 HN ASN 36 -8.410 -18.438 -6.406 249 HA ASN 36 HA ASN 36 -10.459 -20.261 -5.722 250 HB2 ASN 36 HB2 ASN 36 -8.095 -20.911 -6.122 251 HB3 ASN 36 HB1 ASN 36 -7.619 -20.114 -4.629 252 HD21 ASN 36 HD21 ASN 36 -8.148 -21.116 -2.632 253 HD22 ASN 36 HD22 ASN 36 -8.656 -22.767 -2.542 254 H GLN 37 HN GLN 37 -8.741 -17.803 -3.844 255 HA GLN 37 HA GLN 37 -10.039 -18.298 -1.333 256 HB2 GLN 37 HB2 GLN 37 -7.827 -17.173 -1.513 257 HB3 GLN 37 HB1 GLN 37 -8.581 -15.816 -2.342 258 HG2 GLN 37 HG2 GLN 37 -9.902 -15.324 -0.293 259 HG3 GLN 37 HG1 GLN 37 -9.112 -16.667 0.527 260 HE21 GLN 37 HE21 GLN 37 -6.462 -16.088 -0.628 261 HE22 GLN 37 HE22 GLN 37 -5.891 -14.678 0.188 262 H HIS 38 HN HIS 38 -10.735 -16.355 -4.161 263 HA HIS 38 HA HIS 38 -12.673 -14.590 -3.002 264 HB2 HIS 38 HB2 HIS 38 -11.314 -14.046 -5.051 265 HB3 HIS 38 HB1 HIS 38 -12.222 -15.256 -5.946 266 HD2 HIS 38 HD2 HIS 38 -13.943 -13.906 -7.523 267 HE1 HIS 38 HE1 HIS 38 -14.951 -10.856 -4.771 268 HE2 HIS 38 HE2 HIS 38 -15.119 -11.630 -7.170 269 H LEU 39 HN LEU 39 -12.771 -17.724 -4.592 270 HA LEU 39 HA LEU 39 -15.591 -17.804 -5.103 271 HB2 LEU 39 HB2 LEU 39 -13.476 -19.976 -5.077 272 HB3 LEU 39 HB1 LEU 39 -15.153 -20.273 -5.526 273 HG LEU 39 HG LEU 39 -13.283 -18.353 -6.978 274 HD11 LEU 39 HD11 LEU 39 -12.565 -20.655 -7.340 275 HD12 LEU 39 HD12 LEU 39 -13.236 -19.962 -8.815 276 HD13 LEU 39 HD13 LEU 39 -14.193 -21.099 -7.860 277 HD21 LEU 39 HD21 LEU 39 -16.101 -19.223 -7.700 278 HD22 LEU 39 HD22 LEU 39 -15.043 -18.232 -8.706 279 HD23 LEU 39 HD23 LEU 39 -15.606 -17.617 -7.154 280 H MET 40 HN MET 40 -13.794 -18.134 -2.272 281 HA MET 40 HA MET 40 -15.657 -19.691 -0.728 282 HB2 MET 40 HB2 MET 40 -13.547 -17.668 0.160 283 HB3 MET 40 HB1 MET 40 -14.445 -18.726 1.248 284 HG2 MET 40 HG2 MET 40 -12.522 -19.623 -0.915 285 HG3 MET 40 HG1 MET 40 -12.198 -19.604 0.819 286 HE1 MET 40 HE1 MET 40 -15.095 -20.623 1.924 287 HE2 MET 40 HE2 MET 40 -13.561 -21.201 2.577 288 HE3 MET 40 HE3 MET 40 -14.789 -22.355 2.060 289 H ASN 41 HN ASN 41 -15.818 -16.600 -2.101 290 HA ASN 41 HA ASN 41 -18.011 -15.733 -0.325 291 HB2 ASN 41 HB2 ASN 41 -15.978 -14.492 0.311 292 HB3 ASN 41 HB1 ASN 41 -15.730 -13.988 -1.358 293 HD21 ASN 41 HD21 ASN 41 -16.723 -12.135 -2.035 294 HD22 ASN 41 HD22 ASN 41 -17.863 -11.228 -1.098 295 H ASN 42 HN ASN 42 -16.452 -14.422 -3.320 296 HA ASN 42 HA ASN 42 -19.076 -14.504 -4.712 297 HB2 ASN 42 HB2 ASN 42 -17.095 -12.199 -4.595 298 HB3 ASN 42 HB1 ASN 42 -18.379 -12.277 -5.787 299 HD21 ASN 42 HD21 ASN 42 -20.319 -13.418 -3.804 300 HD22 ASN 42 HD22 ASN 42 -20.759 -12.076 -2.811 301 H LYS 43 HN LYS 43 -18.399 -13.586 -7.185 302 HA LYS 43 HA LYS 43 -15.995 -14.968 -8.157 303 HB2 LYS 43 HB2 LYS 43 -17.940 -16.613 -8.208 304 HB3 LYS 43 HB1 LYS 43 -18.761 -15.527 -9.329 305 HG2 LYS 43 HG2 LYS 43 -16.921 -15.835 -10.963 306 HG3 LYS 43 HG1 LYS 43 -16.095 -16.909 -9.831 307 HD2 LYS 43 HD2 LYS 43 -18.008 -18.478 -9.948 308 HD3 LYS 43 HD1 LYS 43 -18.810 -17.403 -11.096 309 HE2 LYS 43 HE2 LYS 43 -16.916 -17.736 -12.683 310 HE3 LYS 43 HE1 LYS 43 -16.187 -18.874 -11.544 311 HZ1 LYS 43 HZ1 LYS 43 -18.851 -19.165 -12.790 312 HZ2 LYS 43 HZ2 LYS 43 -18.112 -20.269 -11.751 313 HZ3 LYS 43 HZ3 LYS 43 -17.452 -19.975 -13.276 314 H ASP 44 HN ASP 44 -16.674 -12.249 -7.754 315 HA ASP 44 HA ASP 44 -17.289 -11.143 -10.417 316 HB2 ASP 44 HB2 ASP 44 -17.109 -9.764 -7.704 317 HB3 ASP 44 HB1 ASP 44 -17.571 -8.976 -9.216 318 H CYS 45 HN CYS 45 -16.019 -9.410 -11.278 319 HA CYS 45 HA CYS 45 -13.191 -9.918 -11.248 320 HB2 CYS 45 HB2 CYS 45 -14.713 -9.067 -13.199 321 HB3 CYS 45 HB1 CYS 45 -14.491 -7.477 -12.501 322 H PHE 46 HN PHE 46 -11.858 -9.175 -9.663 323 HA PHE 46 HA PHE 46 -12.460 -7.572 -7.514 324 HB2 PHE 46 HB2 PHE 46 -9.718 -7.905 -8.815 325 HB3 PHE 46 HB1 PHE 46 -9.978 -7.265 -7.198 326 HD1 PHE 46 HD1 PHE 46 -11.197 -8.830 -5.489 327 HD2 PHE 46 HD2 PHE 46 -9.377 -10.222 -9.102 328 HE1 PHE 46 HE1 PHE 46 -11.024 -11.095 -4.540 329 HE2 PHE 46 HE2 PHE 46 -9.214 -12.478 -8.138 330 HZ PHE 46 HZ PHE 46 -10.030 -12.916 -5.865 331 H PHE 47 HN PHE 47 -11.385 -6.536 -10.663 332 HA PHE 47 HA PHE 47 -10.579 -3.878 -9.789 333 HB2 PHE 47 HB2 PHE 47 -10.411 -5.170 -12.543 334 HB3 PHE 47 HB1 PHE 47 -9.662 -3.648 -12.064 335 HD1 PHE 47 HD1 PHE 47 -7.708 -3.634 -10.501 336 HD2 PHE 47 HD2 PHE 47 -9.409 -7.314 -11.889 337 HE1 PHE 47 HE1 PHE 47 -5.695 -4.855 -9.763 338 HE2 PHE 47 HE2 PHE 47 -7.386 -8.513 -11.161 339 HZ PHE 47 HZ PHE 47 -5.532 -7.289 -10.097 340 H CYS 48 HN CYS 48 -13.380 -5.347 -11.435 341 HA CYS 48 HA CYS 48 -14.503 -2.689 -11.981 342 HB2 CYS 48 HB2 CYS 48 -14.634 -2.845 -14.344 343 HB3 CYS 48 HB1 CYS 48 -12.994 -3.376 -13.985 344 H LYS 49 HN LYS 49 -15.213 -5.281 -10.498 345 HA LYS 49 HA LYS 49 -17.104 -6.160 -9.681 346 HB2 LYS 49 HB2 LYS 49 -18.511 -4.204 -11.524 347 HB3 LYS 49 HB1 LYS 49 -19.361 -5.194 -10.342 348 HG2 LYS 49 HG2 LYS 49 -18.257 -4.059 -8.511 349 HG3 LYS 49 HG1 LYS 49 -17.219 -3.166 -9.629 350 HD2 LYS 49 HD2 LYS 49 -19.149 -1.968 -10.529 351 HD3 LYS 49 HD1 LYS 49 -20.253 -2.933 -9.550 352 HE2 LYS 49 HE2 LYS 49 -18.172 -1.017 -8.440 353 HE3 LYS 49 HE1 LYS 49 -19.882 -0.638 -8.647 354 HZ1 LYS 49 HZ1 LYS 49 -19.417 -1.289 -6.394 355 HZ2 LYS 49 HZ2 LYS 49 -18.782 -2.771 -6.905 356 HZ3 LYS 49 HZ3 LYS 49 -20.422 -2.431 -7.129 357 H THR 50 HN THR 50 -16.759 -6.328 -13.142 358 HA THR 50 HA THR 50 -19.066 -7.661 -13.909 359 HB THR 50 HB THR 50 -16.341 -8.023 -15.216 360 HG1 THR 50 HG1 THR 50 -18.204 -5.889 -15.577 361 HG21 THR 50 HG21 THR 50 -19.154 -7.974 -16.397 362 HG22 THR 50 HG22 THR 50 -18.152 -9.414 -16.196 363 HG23 THR 50 HG23 THR 50 -17.653 -8.142 -17.310 364 H THR 51 HN THR 51 -19.815 -9.594 -13.223 365 HA THR 51 HA THR 51 -18.411 -11.532 -11.808 366 HB THR 51 HB THR 51 -20.957 -12.020 -13.414 367 HG1 THR 51 HG1 THR 51 -20.464 -10.590 -11.075 368 HG21 THR 51 HG21 THR 51 -19.950 -14.125 -12.587 369 HG22 THR 51 HG22 THR 51 -21.413 -13.756 -11.675 370 HG23 THR 51 HG23 THR 51 -19.832 -13.453 -10.957 371 H ILE 52 HN ILE 52 -17.085 -13.061 -12.409 372 HA ILE 52 HA ILE 52 -16.068 -13.320 -15.054 373 HB ILE 52 HB ILE 52 -15.452 -15.103 -12.659 374 HG12 ILE 52 HG12 ILE 52 -13.932 -12.519 -13.262 375 HG13 ILE 52 HG11 ILE 52 -15.302 -12.529 -12.158 376 HG21 ILE 52 HG21 ILE 52 -13.205 -15.294 -13.731 377 HG22 ILE 52 HG22 ILE 52 -13.774 -14.305 -15.074 378 HG23 ILE 52 HG23 ILE 52 -14.494 -15.889 -14.779 379 HD11 ILE 52 HD11 ILE 52 -13.194 -12.649 -10.982 380 HD12 ILE 52 HD12 ILE 52 -12.769 -14.126 -11.846 381 HD13 ILE 52 HD13 ILE 52 -14.135 -14.119 -10.725 382 H VAL 53 HN VAL 53 -16.851 -14.675 -16.587 383 HA VAL 53 HA VAL 53 -18.832 -16.715 -15.982 384 HB VAL 53 HB VAL 53 -17.575 -15.837 -18.623 385 HG11 VAL 53 HG11 VAL 53 -18.320 -18.179 -18.848 386 HG12 VAL 53 HG12 VAL 53 -19.390 -17.116 -19.761 387 HG13 VAL 53 HG13 VAL 53 -19.908 -17.759 -18.203 388 HG21 VAL 53 HG21 VAL 53 -20.313 -15.239 -17.426 389 HG22 VAL 53 HG22 VAL 53 -19.769 -14.740 -19.029 390 HG23 VAL 53 HG23 VAL 53 -18.976 -14.096 -17.592 391 H SER 54 HN SER 54 -15.390 -16.538 -16.872 392 HA SER 54 HA SER 54 -14.980 -19.291 -16.069 393 HB2 SER 54 HB2 SER 54 -15.691 -19.517 -18.457 394 HB3 SER 54 HB1 SER 54 -14.351 -18.477 -18.948 395 HG SER 54 HG SER 54 -12.944 -20.030 -18.448 396 H VAL 55 HN VAL 55 -12.976 -19.588 -15.249 397 HA VAL 55 HA VAL 55 -11.018 -17.368 -15.403 398 HB VAL 55 HB VAL 55 -11.176 -19.543 -13.266 399 HG11 VAL 55 HG11 VAL 55 -9.608 -16.928 -13.314 400 HG12 VAL 55 HG12 VAL 55 -8.929 -18.547 -13.474 401 HG13 VAL 55 HG13 VAL 55 -9.678 -18.054 -11.956 402 HG21 VAL 55 HG21 VAL 55 -13.223 -18.160 -13.184 403 HG22 VAL 55 HG22 VAL 55 -12.235 -16.701 -13.083 404 HG23 VAL 55 HG23 VAL 55 -12.201 -17.881 -11.775 405 H GLU 56 HN GLU 56 -9.621 -17.882 -16.998 406 HA GLU 56 HA GLU 56 -8.455 -20.588 -17.221 407 HB2 GLU 56 HB2 GLU 56 -8.383 -18.095 -18.958 408 HB3 GLU 56 HB1 GLU 56 -7.157 -19.332 -19.169 409 HG2 GLU 56 HG2 GLU 56 -9.052 -19.483 -20.786 410 HG3 GLU 56 HG1 GLU 56 -8.774 -20.954 -19.852 411 H ASP 57 HN ASP 57 -6.292 -21.020 -16.633 412 HA ASP 57 HA ASP 57 -4.926 -19.047 -14.989 413 HB2 ASP 57 HB2 ASP 57 -3.208 -20.757 -14.609 414 HB3 ASP 57 HB1 ASP 57 -4.806 -21.429 -14.343 415 H TRP 58 HN TRP 58 -3.631 -17.528 -15.796 416 HA TRP 58 HA TRP 58 -2.996 -17.509 -18.628 417 HB2 TRP 58 HB2 TRP 58 -3.908 -15.463 -17.511 418 HB3 TRP 58 HB1 TRP 58 -2.453 -15.369 -16.523 419 HD1 TRP 58 HD1 TRP 58 -3.559 -15.046 -20.225 420 HE1 TRP 58 HE1 TRP 58 -1.831 -13.612 -21.468 421 HE3 TRP 58 HE3 TRP 58 -0.102 -14.499 -16.489 422 HZ2 TRP 58 HZ2 TRP 58 0.666 -12.438 -20.959 423 HZ3 TRP 58 HZ3 TRP 58 1.931 -13.196 -16.949 424 HH2 TRP 58 HH2 TRP 58 2.308 -12.184 -19.143 425 H GLU 59 HN GLU 59 -1.302 -18.790 -19.099 426 HA GLU 59 HA GLU 59 1.213 -18.711 -17.626 427 HB2 GLU 59 HB2 GLU 59 0.434 -20.824 -18.720 428 HB3 GLU 59 HB1 GLU 59 0.513 -20.029 -20.290 429 HG2 GLU 59 HG2 GLU 59 2.977 -19.730 -19.986 430 HG3 GLU 59 HG1 GLU 59 2.869 -20.595 -18.452 431 H LYS 60 HN LYS 60 2.888 -17.371 -18.131 432 HA LYS 60 HA LYS 60 2.625 -15.280 -20.098 433 HB2 LYS 60 HB2 LYS 60 4.858 -14.545 -19.283 434 HB3 LYS 60 HB1 LYS 60 3.723 -14.804 -17.966 435 HG2 LYS 60 HG2 LYS 60 4.783 -16.936 -17.409 436 HG3 LYS 60 HG1 LYS 60 5.873 -16.786 -18.792 437 HD2 LYS 60 HD2 LYS 60 6.827 -14.714 -17.770 438 HD3 LYS 60 HD1 LYS 60 5.788 -14.950 -16.362 439 HE2 LYS 60 HE2 LYS 60 6.918 -17.070 -15.859 440 HE3 LYS 60 HE1 LYS 60 7.904 -16.915 -17.315 441 HZ1 LYS 60 HZ1 LYS 60 8.836 -14.885 -16.378 442 HZ2 LYS 60 HZ2 LYS 60 9.135 -16.235 -15.400 443 HZ3 LYS 60 HZ3 LYS 60 7.938 -15.122 -14.965 444 H GLY 61 HN GLY 61 4.124 -14.864 -21.832 445 HA2 GLY 61 HA2 GLY 61 6.126 -16.620 -22.759 446 HA3 GLY 61 HA1 GLY 61 4.613 -17.028 -23.568 Start of MODEL 20 1 H1 SER 1 HT1 SER 1 8.778 5.068 -8.939 2 H2 SER 1 HT2 SER 1 9.963 6.013 -8.192 3 H3 SER 1 HT3 SER 1 10.065 5.687 -9.847 4 HA SER 1 HA SER 1 7.967 7.266 -8.492 5 HB2 SER 1 HB2 SER 1 10.203 8.174 -10.359 6 HB3 SER 1 HB1 SER 1 8.960 9.216 -9.649 7 HG SER 1 HG SER 1 9.781 8.503 -7.561 8 H HIS 2 HN HIS 2 9.177 5.907 -11.545 9 HA HIS 2 HA HIS 2 6.471 6.215 -12.700 10 HB2 HIS 2 HB2 HIS 2 7.998 7.625 -13.987 11 HB3 HIS 2 HB1 HIS 2 9.154 6.307 -14.158 12 HD2 HIS 2 HD2 HIS 2 8.775 4.728 -16.362 13 HE1 HIS 2 HE1 HIS 2 4.973 6.225 -17.448 14 HE2 HIS 2 HE2 HIS 2 6.931 4.783 -18.173 15 H MET 3 HN MET 3 5.851 4.248 -11.805 16 HA MET 3 HA MET 3 6.291 2.055 -13.672 17 HB2 MET 3 HB2 MET 3 6.663 1.753 -10.663 18 HB3 MET 3 HB1 MET 3 6.089 0.400 -11.626 19 HG2 MET 3 HG2 MET 3 8.147 0.477 -12.971 20 HG3 MET 3 HG1 MET 3 8.726 1.837 -12.009 21 HE1 MET 3 HE1 MET 3 7.847 1.044 -9.066 22 HE2 MET 3 HE2 MET 3 9.464 1.636 -9.448 23 HE3 MET 3 HE3 MET 3 9.268 0.165 -8.499 24 HA PRO 4 HA PRO 4 1.798 2.800 -12.719 25 HB2 PRO 4 HB2 PRO 4 0.960 3.809 -15.050 26 HB3 PRO 4 HB1 PRO 4 1.929 4.813 -13.958 27 HG2 PRO 4 HG2 PRO 4 2.762 3.358 -16.452 28 HG3 PRO 4 HG1 PRO 4 3.251 4.967 -15.885 29 HD2 PRO 4 HD2 PRO 4 4.718 2.566 -15.532 30 HD3 PRO 4 HD1 PRO 4 5.004 4.091 -14.668 31 H THR 5 HN THR 5 3.487 0.508 -13.995 32 HA THR 5 HA THR 5 1.248 -1.095 -14.991 33 HB THR 5 HB THR 5 2.398 -0.313 -17.022 34 HG1 THR 5 HG1 THR 5 3.400 -2.889 -16.987 35 HG21 THR 5 HG21 THR 5 4.941 -1.542 -15.877 36 HG22 THR 5 HG22 THR 5 4.647 0.183 -16.104 37 HG23 THR 5 HG23 THR 5 4.755 -0.883 -17.504 38 H SER 6 HN SER 6 1.599 -3.351 -14.728 39 HA SER 6 HA SER 6 3.124 -4.075 -12.399 40 HB2 SER 6 HB2 SER 6 0.848 -4.975 -12.841 41 HB3 SER 6 HB1 SER 6 1.464 -5.817 -14.260 42 HG SER 6 HG SER 6 1.470 -7.225 -12.526 43 H GLU 7 HN GLU 7 5.241 -4.167 -12.679 44 HA GLU 7 HA GLU 7 6.732 -4.337 -14.948 45 HB2 GLU 7 HB2 GLU 7 8.659 -4.927 -13.371 46 HB3 GLU 7 HB1 GLU 7 7.731 -3.480 -12.987 47 HG2 GLU 7 HG2 GLU 7 6.456 -4.759 -11.278 48 HG3 GLU 7 HG1 GLU 7 7.409 -6.194 -11.649 49 H GLU 8 HN GLU 8 6.359 -7.134 -12.734 50 HA GLU 8 HA GLU 8 7.569 -8.928 -14.734 51 HB2 GLU 8 HB2 GLU 8 6.842 -9.544 -11.833 52 HB3 GLU 8 HB1 GLU 8 7.883 -10.492 -12.889 53 HG2 GLU 8 HG2 GLU 8 8.496 -7.726 -11.792 54 HG3 GLU 8 HG1 GLU 8 9.155 -9.243 -11.187 55 H ASP 9 HN ASP 9 4.702 -7.842 -14.761 56 HA ASP 9 HA ASP 9 2.514 -8.351 -14.614 57 HB2 ASP 9 HB2 ASP 9 3.583 -10.991 -15.688 58 HB3 ASP 9 HB1 ASP 9 1.859 -10.654 -15.548 59 H LEU 10 HN LEU 10 3.532 -8.178 -12.312 60 HA LEU 10 HA LEU 10 3.140 -10.357 -10.506 61 HB2 LEU 10 HB2 LEU 10 3.338 -7.351 -10.057 62 HB3 LEU 10 HB1 LEU 10 3.308 -8.538 -8.757 63 HG LEU 10 HG LEU 10 5.460 -8.429 -10.918 64 HD11 LEU 10 HD11 LEU 10 6.956 -7.489 -9.220 65 HD12 LEU 10 HD12 LEU 10 5.621 -7.405 -8.069 66 HD13 LEU 10 HD13 LEU 10 5.590 -6.417 -9.531 67 HD21 LEU 10 HD21 LEU 10 6.709 -9.989 -9.463 68 HD22 LEU 10 HD22 LEU 10 5.174 -10.692 -9.967 69 HD23 LEU 10 HD23 LEU 10 5.352 -10.046 -8.333 70 H CYS 11 HN CYS 11 1.404 -10.780 -9.210 71 HA CYS 11 HA CYS 11 -1.240 -10.196 -9.940 72 HB2 CYS 11 HB2 CYS 11 -0.533 -12.140 -8.524 73 HB3 CYS 11 HB1 CYS 11 -0.144 -11.031 -7.219 74 HA PRO 12 HA PRO 12 -1.165 -5.827 -8.511 75 HB2 PRO 12 HB2 PRO 12 -3.896 -5.314 -8.782 76 HB3 PRO 12 HB1 PRO 12 -2.747 -5.292 -10.126 77 HG2 PRO 12 HG2 PRO 12 -4.566 -7.534 -9.227 78 HG3 PRO 12 HG1 PRO 12 -4.290 -6.911 -10.871 79 HD2 PRO 12 HD2 PRO 12 -3.065 -9.142 -10.062 80 HD3 PRO 12 HD1 PRO 12 -2.175 -7.957 -11.045 81 H ILE 13 HN ILE 13 -2.962 -8.380 -7.101 82 HA ILE 13 HA ILE 13 -3.896 -6.993 -4.737 83 HB ILE 13 HB ILE 13 -3.929 -9.948 -5.506 84 HG12 ILE 13 HG12 ILE 13 -6.175 -7.879 -5.748 85 HG13 ILE 13 HG11 ILE 13 -5.185 -8.431 -7.093 86 HG21 ILE 13 HG21 ILE 13 -5.695 -10.222 -3.783 87 HG22 ILE 13 HG22 ILE 13 -5.485 -8.538 -3.299 88 HG23 ILE 13 HG23 ILE 13 -4.170 -9.693 -3.070 89 HD11 ILE 13 HD11 ILE 13 -7.072 -10.126 -5.466 90 HD12 ILE 13 HD12 ILE 13 -6.086 -10.690 -6.817 91 HD13 ILE 13 HD13 ILE 13 -7.354 -9.495 -7.086 92 H CYS 14 HN CYS 14 -1.357 -9.385 -5.551 93 HA CYS 14 HA CYS 14 -0.617 -9.731 -2.728 94 HB2 CYS 14 HB2 CYS 14 0.163 -11.256 -5.245 95 HB3 CYS 14 HB1 CYS 14 0.813 -11.610 -3.644 96 H TYR 15 HN TYR 15 0.741 -8.659 -5.785 97 HA TYR 15 HA TYR 15 2.376 -7.290 -6.433 98 HB2 TYR 15 HB2 TYR 15 2.844 -6.743 -3.468 99 HB3 TYR 15 HB1 TYR 15 3.671 -5.900 -4.771 100 HD1 TYR 15 HD2 TYR 15 2.382 -4.335 -6.272 101 HD2 TYR 15 HD1 TYR 15 0.561 -6.150 -2.858 102 HE1 TYR 15 HE2 TYR 15 0.566 -2.673 -6.344 103 HE2 TYR 15 HE1 TYR 15 -1.247 -4.489 -2.932 104 HH TYR 15 HH TYR 15 -1.821 -2.497 -5.573 105 H ALA 16 HN ALA 16 3.411 -9.507 -3.833 106 HA ALA 16 HA ALA 16 6.167 -9.523 -4.619 107 HB1 ALA 16 HB1 ALA 16 6.427 -11.233 -2.868 108 HB2 ALA 16 HB2 ALA 16 4.669 -11.356 -2.733 109 HB3 ALA 16 HB3 ALA 16 5.486 -9.858 -2.285 110 H HIS 17 HN HIS 17 3.376 -11.524 -5.369 111 HA HIS 17 HA HIS 17 5.043 -13.507 -6.825 112 HB2 HIS 17 HB2 HIS 17 2.366 -13.811 -5.396 113 HB3 HIS 17 HB1 HIS 17 2.957 -15.009 -6.539 114 HD1 HIS 17 HD1 HIS 17 3.821 -16.950 -5.292 115 HD2 HIS 17 HD2 HIS 17 4.683 -13.391 -3.328 116 HE1 HIS 17 HE1 HIS 17 5.092 -17.611 -3.232 117 HE2 HIS 17 HE2 HIS 17 5.724 -15.435 -2.141 118 HA PRO 18 HA PRO 18 3.142 -12.061 -10.552 119 HB2 PRO 18 HB2 PRO 18 3.470 -14.113 -12.257 120 HB3 PRO 18 HB1 PRO 18 4.869 -13.316 -11.515 121 HG2 PRO 18 HG2 PRO 18 3.492 -15.881 -10.699 122 HG3 PRO 18 HG1 PRO 18 5.230 -15.571 -10.915 123 HD2 PRO 18 HD2 PRO 18 3.993 -15.501 -8.460 124 HD3 PRO 18 HD1 PRO 18 5.429 -14.528 -8.846 125 H ILE 19 HN ILE 19 1.712 -12.990 -12.495 126 HA ILE 19 HA ILE 19 -0.937 -13.616 -11.414 127 HB ILE 19 HB ILE 19 0.034 -12.760 -14.182 128 HG12 ILE 19 HG12 ILE 19 -1.685 -11.230 -12.161 129 HG13 ILE 19 HG11 ILE 19 0.050 -11.003 -12.354 130 HG21 ILE 19 HG21 ILE 19 -2.324 -12.544 -14.877 131 HG22 ILE 19 HG22 ILE 19 -2.853 -13.233 -13.342 132 HG23 ILE 19 HG23 ILE 19 -1.932 -14.216 -14.481 133 HD11 ILE 19 HD11 ILE 19 -1.219 -9.260 -13.455 134 HD12 ILE 19 HD12 ILE 19 -2.042 -10.452 -14.456 135 HD13 ILE 19 HD13 ILE 19 -0.303 -10.200 -14.633 136 H SER 20 HN SER 20 -2.107 -15.421 -11.964 137 HA SER 20 HA SER 20 -0.989 -17.529 -13.677 138 HB2 SER 20 HB2 SER 20 -1.890 -18.028 -10.799 139 HB3 SER 20 HB1 SER 20 -1.295 -19.241 -11.934 140 HG SER 20 HG SER 20 0.644 -17.677 -11.963 141 H ALA 21 HN ALA 21 -3.396 -15.551 -13.424 142 HA ALA 21 HA ALA 21 -5.484 -17.334 -14.373 143 HB1 ALA 21 HB1 ALA 21 -5.899 -15.735 -11.806 144 HB2 ALA 21 HB2 ALA 21 -5.813 -17.491 -11.941 145 HB3 ALA 21 HB3 ALA 21 -7.155 -16.622 -12.681 146 H VAL 22 HN VAL 22 -6.728 -16.313 -15.822 147 HA VAL 22 HA VAL 22 -6.949 -13.369 -15.849 148 HB VAL 22 HB VAL 22 -5.642 -13.947 -17.803 149 HG11 VAL 22 HG11 VAL 22 -6.358 -15.565 -19.541 150 HG12 VAL 22 HG12 VAL 22 -7.744 -16.019 -18.546 151 HG13 VAL 22 HG13 VAL 22 -6.108 -16.353 -17.979 152 HG21 VAL 22 HG21 VAL 22 -7.068 -13.113 -19.632 153 HG22 VAL 22 HG22 VAL 22 -7.410 -12.237 -18.138 154 HG23 VAL 22 HG23 VAL 22 -8.522 -13.495 -18.703 155 H PHE 23 HN PHE 23 -8.954 -12.654 -15.649 156 HA PHE 23 HA PHE 23 -11.192 -14.547 -15.511 157 HB2 PHE 23 HB2 PHE 23 -11.283 -11.606 -14.700 158 HB3 PHE 23 HB1 PHE 23 -12.341 -12.913 -14.176 159 HD1 PHE 23 HD1 PHE 23 -10.620 -15.039 -13.331 160 HD2 PHE 23 HD2 PHE 23 -10.042 -10.831 -12.842 161 HE1 PHE 23 HE1 PHE 23 -9.120 -15.462 -11.440 162 HE2 PHE 23 HE2 PHE 23 -8.548 -11.269 -10.938 163 HZ PHE 23 HZ PHE 23 -8.078 -13.586 -10.244 164 H GLN 24 HN GLN 24 -11.535 -14.910 -17.622 165 HA GLN 24 HA GLN 24 -11.740 -12.916 -19.645 166 HB2 GLN 24 HB2 GLN 24 -12.442 -15.872 -19.562 167 HB3 GLN 24 HB1 GLN 24 -12.710 -14.894 -21.003 168 HG2 GLN 24 HG2 GLN 24 -10.299 -14.366 -21.070 169 HG3 GLN 24 HG1 GLN 24 -10.039 -15.414 -19.675 170 HE21 GLN 24 HE21 GLN 24 -11.963 -17.435 -20.587 171 HE22 GLN 24 HE22 GLN 24 -11.215 -18.274 -21.898 172 HA PRO 25 HA PRO 25 -12.570 -12.425 -21.446 173 HB2 PRO 25 HB2 PRO 25 -14.575 -10.926 -22.865 174 HB3 PRO 25 HB1 PRO 25 -14.011 -12.562 -23.219 175 HG2 PRO 25 HG2 PRO 25 -16.586 -11.930 -22.341 176 HG3 PRO 25 HG1 PRO 25 -15.831 -13.535 -22.236 177 HD2 PRO 25 HD2 PRO 25 -16.038 -11.404 -20.096 178 HD3 PRO 25 HD1 PRO 25 -16.303 -13.161 -19.980 179 H CYS 26 HN CYS 26 -13.071 -10.943 -18.875 180 HA CYS 26 HA CYS 26 -13.320 -8.139 -19.489 181 HB2 CYS 26 HB2 CYS 26 -14.162 -9.002 -17.356 182 HB3 CYS 26 HB1 CYS 26 -12.537 -9.507 -16.883 183 H GLY 27 HN GLY 27 -10.648 -10.323 -18.653 184 HA2 GLY 27 HA2 GLY 27 -8.435 -10.118 -19.379 185 HA3 GLY 27 HA1 GLY 27 -8.711 -8.439 -19.800 186 H HIS 28 HN HIS 28 -9.929 -8.445 -16.795 187 HA HIS 28 HA HIS 28 -7.607 -7.630 -15.375 188 HB2 HIS 28 HB2 HIS 28 -10.396 -8.400 -14.486 189 HB3 HIS 28 HB1 HIS 28 -9.134 -8.215 -13.273 190 HD2 HIS 28 HD2 HIS 28 -7.763 -5.460 -14.498 191 HE1 HIS 28 HE1 HIS 28 -11.626 -3.926 -13.723 192 HE2 HIS 28 HE2 HIS 28 -9.251 -3.347 -14.389 193 H LYS 29 HN LYS 29 -6.234 -8.759 -14.074 194 HA LYS 29 HA LYS 29 -6.393 -11.710 -14.072 195 HB2 LYS 29 HB2 LYS 29 -3.948 -10.098 -14.929 196 HB3 LYS 29 HB1 LYS 29 -4.071 -11.850 -14.853 197 HG2 LYS 29 HG2 LYS 29 -5.639 -11.874 -16.709 198 HG3 LYS 29 HG1 LYS 29 -5.695 -10.110 -16.720 199 HD2 LYS 29 HD2 LYS 29 -3.211 -10.130 -17.218 200 HD3 LYS 29 HD1 LYS 29 -3.335 -11.878 -17.434 201 HE2 LYS 29 HE2 LYS 29 -4.828 -11.598 -19.317 202 HE3 LYS 29 HE1 LYS 29 -4.954 -9.859 -19.033 203 HZ1 LYS 29 HZ1 LYS 29 -2.494 -11.316 -19.812 204 HZ2 LYS 29 HZ2 LYS 29 -2.600 -9.657 -19.520 205 HZ3 LYS 29 HZ3 LYS 29 -3.433 -10.341 -20.822 206 H SER 30 HN SER 30 -5.249 -12.698 -12.443 207 HA SER 30 HA SER 30 -3.318 -11.399 -10.767 208 HB2 SER 30 HB2 SER 30 -4.509 -11.595 -8.628 209 HB3 SER 30 HB1 SER 30 -5.479 -10.602 -9.709 210 HG SER 30 HG SER 30 -6.752 -12.431 -10.124 211 H CYS 31 HN CYS 31 -2.995 -13.199 -8.761 212 HA CYS 31 HA CYS 31 -2.375 -15.677 -10.097 213 HB2 CYS 31 HB2 CYS 31 -1.398 -16.383 -8.029 214 HB3 CYS 31 HB1 CYS 31 -1.010 -14.678 -8.206 215 H LYS 32 HN LYS 32 -3.337 -17.735 -9.683 216 HA LYS 32 HA LYS 32 -6.181 -17.607 -9.625 217 HB2 LYS 32 HB2 LYS 32 -4.801 -19.183 -11.021 218 HB3 LYS 32 HB1 LYS 32 -4.424 -20.091 -9.560 219 HG2 LYS 32 HG2 LYS 32 -6.757 -20.720 -9.281 220 HG3 LYS 32 HG1 LYS 32 -7.248 -19.657 -10.600 221 HD2 LYS 32 HD2 LYS 32 -7.215 -22.018 -11.327 222 HD3 LYS 32 HD1 LYS 32 -6.032 -21.062 -12.223 223 HE2 LYS 32 HE2 LYS 32 -4.213 -21.963 -10.858 224 HE3 LYS 32 HE1 LYS 32 -5.365 -22.816 -9.828 225 HZ1 LYS 32 HZ1 LYS 32 -4.958 -23.326 -12.715 226 HZ2 LYS 32 HZ2 LYS 32 -6.003 -24.170 -11.692 227 HZ3 LYS 32 HZ3 LYS 32 -4.330 -24.267 -11.458 228 H ALA 33 HN ALA 33 -3.831 -18.214 -7.165 229 HA ALA 33 HA ALA 33 -5.348 -19.408 -5.137 230 HB1 ALA 33 HB1 ALA 33 -3.724 -18.386 -3.590 231 HB2 ALA 33 HB2 ALA 33 -3.167 -17.307 -4.872 232 HB3 ALA 33 HB3 ALA 33 -2.916 -19.048 -5.012 233 H CYS 34 HN CYS 34 -5.139 -16.000 -6.125 234 HA CYS 34 HA CYS 34 -6.645 -14.809 -4.066 235 HB2 CYS 34 HB2 CYS 34 -5.865 -13.919 -6.832 236 HB3 CYS 34 HB1 CYS 34 -7.156 -13.034 -6.022 237 H ILE 35 HN ILE 35 -7.711 -16.063 -7.275 238 HA ILE 35 HA ILE 35 -10.394 -15.107 -6.927 239 HB ILE 35 HB ILE 35 -9.449 -15.334 -9.200 240 HG12 ILE 35 HG12 ILE 35 -11.469 -16.332 -10.306 241 HG13 ILE 35 HG11 ILE 35 -11.953 -17.046 -8.772 242 HG21 ILE 35 HG21 ILE 35 -9.609 -18.336 -8.799 243 HG22 ILE 35 HG22 ILE 35 -8.138 -17.378 -8.953 244 HG23 ILE 35 HG23 ILE 35 -9.240 -17.521 -10.322 245 HD11 ILE 35 HD11 ILE 35 -13.238 -15.051 -9.286 246 HD12 ILE 35 HD12 ILE 35 -11.764 -14.091 -9.375 247 HD13 ILE 35 HD13 ILE 35 -12.268 -14.797 -7.836 248 H ASN 36 HN ASN 36 -8.814 -18.247 -6.437 249 HA ASN 36 HA ASN 36 -11.150 -19.773 -5.940 250 HB2 ASN 36 HB2 ASN 36 -8.869 -20.739 -6.388 251 HB3 ASN 36 HB1 ASN 36 -8.358 -20.207 -4.792 252 HD21 ASN 36 HD21 ASN 36 -7.875 -22.376 -4.219 253 HD22 ASN 36 HD22 ASN 36 -9.113 -23.526 -3.860 254 H GLN 37 HN GLN 37 -9.055 -17.837 -3.846 255 HA GLN 37 HA GLN 37 -10.436 -18.228 -1.378 256 HB2 GLN 37 HB2 GLN 37 -8.087 -17.375 -1.560 257 HB3 GLN 37 HB1 GLN 37 -8.689 -15.891 -2.291 258 HG2 GLN 37 HG2 GLN 37 -9.988 -15.480 -0.149 259 HG3 GLN 37 HG1 GLN 37 -9.131 -16.852 0.556 260 HE21 GLN 37 HE21 GLN 37 -9.083 -14.081 1.409 261 HE22 GLN 37 HE22 GLN 37 -7.441 -13.550 1.309 262 H HIS 38 HN HIS 38 -10.965 -16.164 -4.154 263 HA HIS 38 HA HIS 38 -12.714 -14.281 -2.798 264 HB2 HIS 38 HB2 HIS 38 -11.186 -13.600 -4.668 265 HB3 HIS 38 HB1 HIS 38 -12.140 -14.566 -5.784 266 HD2 HIS 38 HD2 HIS 38 -14.044 -13.101 -7.035 267 HE1 HIS 38 HE1 HIS 38 -14.253 -9.941 -4.231 268 HE2 HIS 38 HE2 HIS 38 -15.216 -10.900 -6.356 269 H LEU 39 HN LEU 39 -13.087 -17.264 -4.631 270 HA LEU 39 HA LEU 39 -15.781 -16.833 -5.468 271 HB2 LEU 39 HB2 LEU 39 -14.212 -19.414 -5.203 272 HB3 LEU 39 HB1 LEU 39 -15.825 -19.322 -5.895 273 HG LEU 39 HG LEU 39 -13.319 -18.011 -7.025 274 HD11 LEU 39 HD11 LEU 39 -13.559 -19.553 -8.909 275 HD12 LEU 39 HD12 LEU 39 -14.929 -20.331 -8.110 276 HD13 LEU 39 HD13 LEU 39 -13.321 -20.414 -7.388 277 HD21 LEU 39 HD21 LEU 39 -16.139 -17.921 -8.146 278 HD22 LEU 39 HD22 LEU 39 -14.687 -17.313 -8.945 279 HD23 LEU 39 HD23 LEU 39 -15.245 -16.564 -7.453 280 H MET 40 HN MET 40 -14.357 -18.178 -2.514 281 HA MET 40 HA MET 40 -16.794 -19.137 -1.349 282 HB2 MET 40 HB2 MET 40 -15.583 -19.306 0.733 283 HB3 MET 40 HB1 MET 40 -14.472 -19.757 -0.546 284 HG2 MET 40 HG2 MET 40 -13.463 -17.513 -0.420 285 HG3 MET 40 HG1 MET 40 -14.554 -17.108 0.906 286 HE1 MET 40 HE1 MET 40 -11.186 -17.468 2.837 287 HE2 MET 40 HE2 MET 40 -12.637 -16.487 2.625 288 HE3 MET 40 HE3 MET 40 -11.499 -16.685 1.289 289 H ASN 41 HN ASN 41 -15.462 -16.000 -1.798 290 HA ASN 41 HA ASN 41 -17.239 -14.626 0.074 291 HB2 ASN 41 HB2 ASN 41 -15.028 -13.700 -0.072 292 HB3 ASN 41 HB1 ASN 41 -15.027 -13.741 -1.826 293 HD21 ASN 41 HD21 ASN 41 -15.805 -12.009 -2.946 294 HD22 ASN 41 HD22 ASN 41 -16.368 -10.553 -2.212 295 H ASN 42 HN ASN 42 -16.586 -13.921 -3.404 296 HA ASN 42 HA ASN 42 -19.368 -14.287 -4.206 297 HB2 ASN 42 HB2 ASN 42 -17.950 -11.576 -4.411 298 HB3 ASN 42 HB1 ASN 42 -19.377 -11.987 -5.357 299 HD21 ASN 42 HD21 ASN 42 -18.186 -11.155 -2.196 300 HD22 ASN 42 HD22 ASN 42 -19.716 -10.916 -1.444 301 H LYS 43 HN LYS 43 -19.600 -14.472 -6.515 302 HA LYS 43 HA LYS 43 -17.170 -15.344 -7.919 303 HB2 LYS 43 HB2 LYS 43 -20.141 -15.729 -8.478 304 HB3 LYS 43 HB1 LYS 43 -18.932 -16.104 -9.694 305 HG2 LYS 43 HG2 LYS 43 -19.550 -18.146 -8.614 306 HG3 LYS 43 HG1 LYS 43 -17.904 -17.751 -8.119 307 HD2 LYS 43 HD2 LYS 43 -18.772 -16.885 -5.963 308 HD3 LYS 43 HD1 LYS 43 -20.417 -17.292 -6.472 309 HE2 LYS 43 HE2 LYS 43 -19.775 -19.688 -6.586 310 HE3 LYS 43 HE1 LYS 43 -18.144 -19.270 -6.045 311 HZ1 LYS 43 HZ1 LYS 43 -19.455 -20.026 -4.202 312 HZ2 LYS 43 HZ2 LYS 43 -20.661 -18.886 -4.520 313 HZ3 LYS 43 HZ3 LYS 43 -19.135 -18.375 -4.003 314 H ASP 44 HN ASP 44 -16.709 -12.849 -7.789 315 HA ASP 44 HA ASP 44 -17.467 -11.705 -10.414 316 HB2 ASP 44 HB2 ASP 44 -17.757 -9.502 -9.547 317 HB3 ASP 44 HB1 ASP 44 -18.702 -10.555 -8.508 318 H CYS 45 HN CYS 45 -15.968 -9.701 -10.807 319 HA CYS 45 HA CYS 45 -13.240 -10.825 -10.935 320 HB2 CYS 45 HB2 CYS 45 -14.424 -10.436 -13.041 321 HB3 CYS 45 HB1 CYS 45 -14.726 -8.768 -12.605 322 H PHE 46 HN PHE 46 -13.924 -9.676 -8.524 323 HA PHE 46 HA PHE 46 -13.077 -8.422 -6.871 324 HB2 PHE 46 HB2 PHE 46 -10.773 -8.103 -8.831 325 HB3 PHE 46 HB1 PHE 46 -10.691 -7.596 -7.151 326 HD1 PHE 46 HD2 PHE 46 -10.880 -10.534 -9.413 327 HD2 PHE 46 HD1 PHE 46 -10.355 -9.223 -5.376 328 HE1 PHE 46 HE2 PHE 46 -10.080 -12.770 -8.781 329 HE2 PHE 46 HE1 PHE 46 -9.555 -11.465 -4.760 330 HZ PHE 46 HZ PHE 46 -9.412 -13.236 -6.463 331 H PHE 47 HN PHE 47 -11.685 -6.410 -9.428 332 HA PHE 47 HA PHE 47 -12.129 -4.033 -7.876 333 HB2 PHE 47 HB2 PHE 47 -10.932 -4.360 -10.671 334 HB3 PHE 47 HB1 PHE 47 -10.762 -2.947 -9.631 335 HD1 PHE 47 HD1 PHE 47 -9.457 -3.170 -7.457 336 HD2 PHE 47 HD2 PHE 47 -9.438 -6.238 -10.440 337 HE1 PHE 47 HE1 PHE 47 -7.443 -4.151 -6.442 338 HE2 PHE 47 HE2 PHE 47 -7.418 -7.209 -9.416 339 HZ PHE 47 HZ PHE 47 -6.421 -6.170 -7.417 340 H CYS 48 HN CYS 48 -13.489 -5.428 -10.813 341 HA CYS 48 HA CYS 48 -15.114 -2.991 -11.338 342 HB2 CYS 48 HB2 CYS 48 -15.102 -3.590 -13.657 343 HB3 CYS 48 HB1 CYS 48 -13.445 -3.861 -13.115 344 H LYS 49 HN LYS 49 -15.333 -6.162 -10.154 345 HA LYS 49 HA LYS 49 -16.964 -7.625 -9.668 346 HB2 LYS 49 HB2 LYS 49 -18.760 -5.185 -9.975 347 HB3 LYS 49 HB1 LYS 49 -19.314 -6.721 -9.313 348 HG2 LYS 49 HG2 LYS 49 -17.721 -6.499 -7.441 349 HG3 LYS 49 HG1 LYS 49 -17.151 -4.957 -8.099 350 HD2 LYS 49 HD2 LYS 49 -19.471 -4.039 -7.868 351 HD3 LYS 49 HD1 LYS 49 -19.986 -5.565 -7.142 352 HE2 LYS 49 HE2 LYS 49 -18.419 -5.195 -5.271 353 HE3 LYS 49 HE1 LYS 49 -17.898 -3.674 -6.003 354 HZ1 LYS 49 HZ1 LYS 49 -19.528 -3.308 -4.274 355 HZ2 LYS 49 HZ2 LYS 49 -20.640 -4.302 -5.066 356 HZ3 LYS 49 HZ3 LYS 49 -20.154 -2.847 -5.776 357 H THR 50 HN THR 50 -16.294 -7.356 -12.587 358 HA THR 50 HA THR 50 -18.573 -8.121 -14.105 359 HB THR 50 HB THR 50 -15.666 -8.995 -14.491 360 HG1 THR 50 HG1 THR 50 -17.095 -6.806 -15.619 361 HG21 THR 50 HG21 THR 50 -16.263 -9.394 -16.846 362 HG22 THR 50 HG22 THR 50 -17.949 -8.998 -16.520 363 HG23 THR 50 HG23 THR 50 -17.223 -10.434 -15.788 364 H THR 51 HN THR 51 -19.751 -9.984 -13.991 365 HA THR 51 HA THR 51 -19.338 -12.036 -12.122 366 HB THR 51 HB THR 51 -20.945 -12.344 -14.707 367 HG1 THR 51 HG1 THR 51 -21.764 -10.513 -13.859 368 HG21 THR 51 HG21 THR 51 -22.376 -13.831 -13.349 369 HG22 THR 51 HG22 THR 51 -21.362 -13.555 -11.935 370 HG23 THR 51 HG23 THR 51 -20.708 -14.416 -13.329 371 H ILE 52 HN ILE 52 -17.947 -13.731 -12.136 372 HA ILE 52 HA ILE 52 -15.959 -14.050 -14.100 373 HB ILE 52 HB ILE 52 -16.823 -16.039 -11.946 374 HG12 ILE 52 HG12 ILE 52 -16.038 -13.815 -11.071 375 HG13 ILE 52 HG11 ILE 52 -14.983 -15.140 -10.592 376 HG21 ILE 52 HG21 ILE 52 -14.569 -17.066 -12.232 377 HG22 ILE 52 HG22 ILE 52 -14.268 -16.012 -13.618 378 HG23 ILE 52 HG23 ILE 52 -15.558 -17.218 -13.682 379 HD11 ILE 52 HD11 ILE 52 -14.430 -13.174 -12.826 380 HD12 ILE 52 HD12 ILE 52 -13.360 -14.482 -12.308 381 HD13 ILE 52 HD13 ILE 52 -13.720 -13.148 -11.214 382 H VAL 53 HN VAL 53 -16.486 -14.556 -16.161 383 HA VAL 53 HA VAL 53 -18.438 -16.569 -16.886 384 HB VAL 53 HB VAL 53 -16.376 -15.198 -18.689 385 HG11 VAL 53 HG11 VAL 53 -19.009 -16.566 -19.398 386 HG12 VAL 53 HG12 VAL 53 -17.396 -17.213 -19.698 387 HG13 VAL 53 HG13 VAL 53 -17.923 -15.754 -20.532 388 HG21 VAL 53 HG21 VAL 53 -17.743 -13.496 -17.541 389 HG22 VAL 53 HG22 VAL 53 -19.224 -14.302 -18.057 390 HG23 VAL 53 HG23 VAL 53 -18.158 -13.563 -19.255 391 H SER 54 HN SER 54 -14.874 -16.256 -16.965 392 HA SER 54 HA SER 54 -14.509 -19.051 -16.378 393 HB2 SER 54 HB2 SER 54 -13.045 -19.468 -18.433 394 HB3 SER 54 HB1 SER 54 -14.772 -19.328 -18.771 395 HG SER 54 HG SER 54 -14.458 -17.433 -19.717 396 H VAL 55 HN VAL 55 -12.637 -19.381 -15.286 397 HA VAL 55 HA VAL 55 -10.528 -17.292 -15.260 398 HB VAL 55 HB VAL 55 -10.962 -19.582 -13.266 399 HG11 VAL 55 HG11 VAL 55 -8.977 -17.267 -13.177 400 HG12 VAL 55 HG12 VAL 55 -8.583 -18.963 -13.465 401 HG13 VAL 55 HG13 VAL 55 -9.220 -18.463 -11.900 402 HG21 VAL 55 HG21 VAL 55 -11.645 -17.824 -11.658 403 HG22 VAL 55 HG22 VAL 55 -12.732 -17.904 -13.044 404 HG23 VAL 55 HG23 VAL 55 -11.536 -16.612 -12.939 405 H GLU 56 HN GLU 56 -9.068 -17.779 -16.793 406 HA GLU 56 HA GLU 56 -8.252 -20.585 -17.272 407 HB2 GLU 56 HB2 GLU 56 -7.803 -18.085 -18.968 408 HB3 GLU 56 HB1 GLU 56 -7.313 -19.721 -19.408 409 HG2 GLU 56 HG2 GLU 56 -10.177 -18.781 -19.002 410 HG3 GLU 56 HG1 GLU 56 -9.377 -18.976 -20.559 411 H ASP 57 HN ASP 57 -6.056 -21.146 -17.211 412 HA ASP 57 HA ASP 57 -4.394 -19.785 -15.318 413 HB2 ASP 57 HB2 ASP 57 -3.760 -22.070 -17.244 414 HB3 ASP 57 HB1 ASP 57 -2.672 -21.510 -15.972 415 H TRP 58 HN TRP 58 -3.847 -17.726 -16.027 416 HA TRP 58 HA TRP 58 -3.045 -17.176 -18.721 417 HB2 TRP 58 HB2 TRP 58 -4.100 -15.417 -17.258 418 HB3 TRP 58 HB1 TRP 58 -2.629 -15.379 -16.285 419 HD1 TRP 58 HD1 TRP 58 -3.795 -14.636 -19.914 420 HE1 TRP 58 HE1 TRP 58 -2.159 -12.968 -20.976 421 HE3 TRP 58 HE3 TRP 58 -0.359 -14.334 -16.116 422 HZ2 TRP 58 HZ2 TRP 58 0.250 -11.673 -20.285 423 HZ3 TRP 58 HZ3 TRP 58 1.586 -12.854 -16.401 424 HH2 TRP 58 HH2 TRP 58 1.877 -11.553 -18.448 425 H GLU 59 HN GLU 59 -1.258 -17.987 -19.478 426 HA GLU 59 HA GLU 59 1.202 -18.347 -18.001 427 HB2 GLU 59 HB2 GLU 59 2.134 -19.201 -20.111 428 HB3 GLU 59 HB1 GLU 59 0.589 -19.967 -19.782 429 HG2 GLU 59 HG2 GLU 59 0.948 -17.665 -21.731 430 HG3 GLU 59 HG1 GLU 59 1.036 -19.360 -22.201 431 H LYS 60 HN LYS 60 3.070 -17.140 -18.240 432 HA LYS 60 HA LYS 60 2.778 -14.426 -19.391 433 HB2 LYS 60 HB2 LYS 60 4.760 -13.898 -17.810 434 HB3 LYS 60 HB1 LYS 60 3.192 -14.172 -17.080 435 HG2 LYS 60 HG2 LYS 60 4.800 -15.240 -15.684 436 HG3 LYS 60 HG1 LYS 60 3.914 -16.510 -16.516 437 HD2 LYS 60 HD2 LYS 60 6.217 -17.175 -16.468 438 HD3 LYS 60 HD1 LYS 60 5.865 -16.708 -18.129 439 HE2 LYS 60 HE2 LYS 60 7.256 -14.922 -16.099 440 HE3 LYS 60 HE1 LYS 60 8.097 -15.912 -17.285 441 HZ1 LYS 60 HZ1 LYS 60 6.959 -14.636 -19.029 442 HZ2 LYS 60 HZ2 LYS 60 7.945 -13.682 -18.048 443 HZ3 LYS 60 HZ3 LYS 60 6.276 -13.644 -17.841 444 H GLY 61 HN GLY 61 3.930 -17.259 -20.400 445 HA2 GLY 61 HA2 GLY 61 5.233 -17.614 -22.341 446 HA3 GLY 61 HA1 GLY 61 6.061 -16.088 -22.069
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