NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
574921 | 2lzu | 18778 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ARG 36 HT1 ARG 36 -21.767 8.271 -1.321 2 H2 ARG 36 HT2 ARG 36 -23.127 9.063 -0.751 3 H3 ARG 36 HT3 ARG 36 -23.120 7.372 -0.912 4 HA ARG 36 HA ARG 36 -21.440 8.906 0.954 5 HB2 ARG 36 HB2 ARG 36 -23.894 7.196 1.354 6 HB3 ARG 36 HB1 ARG 36 -22.758 7.576 2.636 7 HG2 ARG 36 HG2 ARG 36 -24.151 9.685 1.048 8 HG3 ARG 36 HG1 ARG 36 -24.829 8.991 2.525 9 HD2 ARG 36 HD2 ARG 36 -22.775 9.638 3.725 10 HD3 ARG 36 HD1 ARG 36 -22.171 10.403 2.261 11 HE ARG 36 HE ARG 36 -24.231 11.793 2.405 12 HH11 ARG 36 HH11 ARG 36 -22.688 10.460 5.346 13 HH12 ARG 36 HH12 ARG 36 -23.213 11.753 6.320 14 HH21 ARG 36 HH21 ARG 36 -24.896 13.539 3.850 15 HH22 ARG 36 HH22 ARG 36 -24.452 13.468 5.499 16 H ALA 37 HN ALA 37 -19.946 7.736 2.073 17 HA ALA 37 HA ALA 37 -19.240 5.201 0.874 18 HB1 ALA 37 HB1 ALA 37 -17.743 6.914 2.856 19 HB2 ALA 37 HB2 ALA 37 -17.515 6.924 1.106 20 HB3 ALA 37 HB3 ALA 37 -17.122 5.478 2.042 21 H GLN 38 HN GLN 38 -20.332 3.609 1.698 22 HA GLN 38 HA GLN 38 -20.071 3.017 4.568 23 HB2 GLN 38 HB2 GLN 38 -22.392 3.765 4.202 24 HB3 GLN 38 HB1 GLN 38 -22.564 2.623 2.880 25 HG2 GLN 38 HG2 GLN 38 -22.205 0.785 4.491 26 HG3 GLN 38 HG1 GLN 38 -22.196 1.978 5.791 27 HE21 GLN 38 HE21 GLN 38 -24.093 2.986 6.332 28 HE22 GLN 38 HE22 GLN 38 -25.639 2.408 5.824 29 H VAL 39 HN VAL 39 -21.306 1.681 1.553 30 HA VAL 39 HA VAL 39 -19.565 -0.644 1.863 31 HB VAL 39 HB VAL 39 -22.006 -1.119 2.214 32 HG11 VAL 39 HG11 VAL 39 -23.014 0.489 0.796 33 HG12 VAL 39 HG12 VAL 39 -23.564 -1.121 0.326 34 HG13 VAL 39 HG13 VAL 39 -22.348 -0.286 -0.640 35 HG21 VAL 39 HG21 VAL 39 -20.570 -2.929 1.469 36 HG22 VAL 39 HG22 VAL 39 -20.812 -2.463 -0.215 37 HG23 VAL 39 HG23 VAL 39 -22.164 -3.087 0.730 38 H LYS 40 HN LYS 40 -19.235 1.933 0.694 39 HA LYS 40 HA LYS 40 -18.323 1.175 -1.961 40 HB2 LYS 40 HB2 LYS 40 -19.861 3.690 -1.288 41 HB3 LYS 40 HB1 LYS 40 -18.861 3.531 -2.716 42 HG2 LYS 40 HG2 LYS 40 -20.258 1.743 -3.533 43 HG3 LYS 40 HG1 LYS 40 -21.235 1.815 -2.067 44 HD2 LYS 40 HD2 LYS 40 -21.951 4.043 -2.589 45 HD3 LYS 40 HD1 LYS 40 -20.849 4.118 -3.963 46 HE2 LYS 40 HE2 LYS 40 -23.104 2.163 -3.668 47 HE3 LYS 40 HE1 LYS 40 -23.217 3.664 -4.578 48 HZ1 LYS 40 HZ1 LYS 40 -21.455 2.854 -6.040 49 HZ2 LYS 40 HZ2 LYS 40 -22.750 1.796 -6.029 50 HZ3 LYS 40 HZ3 LYS 40 -21.347 1.411 -5.174 51 H GLU 41 HN GLU 41 -16.405 0.935 -0.864 52 HA GLU 41 HA GLU 41 -15.195 3.241 0.407 53 HB2 GLU 41 HB2 GLU 41 -14.135 0.488 -0.192 54 HB3 GLU 41 HB1 GLU 41 -13.338 1.709 0.790 55 HG2 GLU 41 HG2 GLU 41 -16.000 0.469 1.432 56 HG3 GLU 41 HG1 GLU 41 -14.434 -0.045 2.063 57 H THR 42 HN THR 42 -13.550 4.374 -0.591 58 HA THR 42 HA THR 42 -13.086 3.444 -3.283 59 HB THR 42 HB THR 42 -12.281 6.229 -2.729 60 HG1 THR 42 HG1 THR 42 -14.314 6.152 -1.651 61 HG21 THR 42 HG21 THR 42 -13.328 6.512 -4.964 62 HG22 THR 42 HG22 THR 42 -13.882 4.834 -4.863 63 HG23 THR 42 HG23 THR 42 -12.155 5.185 -4.933 64 H CYS 43 HN CYS 43 -10.955 3.426 -3.986 65 HA CYS 43 HA CYS 43 -9.230 2.619 -1.850 66 HB2 CYS 43 HB2 CYS 43 -9.275 1.006 -3.337 67 HB3 CYS 43 HB1 CYS 43 -9.586 2.030 -4.705 68 H ALA 44 HN ALA 44 -7.139 3.380 -1.525 69 HA ALA 44 HA ALA 44 -6.538 6.005 -2.675 70 HB1 ALA 44 HB1 ALA 44 -5.032 6.298 -0.903 71 HB2 ALA 44 HB2 ALA 44 -5.237 4.623 -0.374 72 HB3 ALA 44 HB3 ALA 44 -6.599 5.775 -0.270 73 H ALA 45 HN ALA 45 -5.635 2.783 -3.236 74 HA ALA 45 HA ALA 45 -2.879 3.508 -3.869 75 HB1 ALA 45 HB1 ALA 45 -4.139 0.774 -3.775 76 HB2 ALA 45 HB2 ALA 45 -3.296 1.554 -2.428 77 HB3 ALA 45 HB3 ALA 45 -2.420 1.158 -3.917 78 H CYS 46 HN CYS 46 -5.871 2.976 -5.283 79 HA CYS 46 HA CYS 46 -4.735 3.441 -7.849 80 HB2 CYS 46 HB2 CYS 46 -4.946 1.197 -8.778 81 HB3 CYS 46 HB1 CYS 46 -4.922 1.037 -7.200 82 H GLN 47 HN GLN 47 -6.899 4.327 -5.695 83 HA GLN 47 HA GLN 47 -8.779 5.447 -5.590 84 HB2 GLN 47 HB2 GLN 47 -7.796 6.528 -8.203 85 HB3 GLN 47 HB1 GLN 47 -9.125 7.142 -7.191 86 HG2 GLN 47 HG2 GLN 47 -7.732 7.729 -5.445 87 HG3 GLN 47 HG1 GLN 47 -6.398 6.760 -6.064 88 HE21 GLN 47 HE21 GLN 47 -6.648 7.732 -8.796 89 HE22 GLN 47 HE22 GLN 47 -6.095 9.356 -8.795 90 H LYS 48 HN LYS 48 -9.367 2.955 -6.596 91 HA LYS 48 HA LYS 48 -11.681 3.512 -8.314 92 HB2 LYS 48 HB2 LYS 48 -10.139 0.932 -7.924 93 HB3 LYS 48 HB1 LYS 48 -11.556 1.128 -8.945 94 HG2 LYS 48 HG2 LYS 48 -8.886 2.464 -9.327 95 HG3 LYS 48 HG1 LYS 48 -9.499 1.089 -10.238 96 HD2 LYS 48 HD2 LYS 48 -10.737 3.844 -10.149 97 HD3 LYS 48 HD1 LYS 48 -9.745 3.223 -11.469 98 HE2 LYS 48 HE2 LYS 48 -11.393 1.468 -11.883 99 HE3 LYS 48 HE1 LYS 48 -12.378 2.064 -10.552 100 HZ1 LYS 48 HZ1 LYS 48 -12.727 4.124 -11.769 101 HZ2 LYS 48 HZ2 LYS 48 -13.146 2.808 -12.746 102 HZ3 LYS 48 HZ3 LYS 48 -11.690 3.597 -12.981 103 H THR 49 HN THR 49 -13.627 2.444 -7.655 104 HA THR 49 HA THR 49 -13.879 2.405 -4.833 105 HB THR 49 HB THR 49 -15.852 1.361 -6.772 106 HG1 THR 49 HG1 THR 49 -15.302 3.482 -7.462 107 HG21 THR 49 HG21 THR 49 -15.985 2.654 -4.103 108 HG22 THR 49 HG22 THR 49 -16.428 0.971 -4.491 109 HG23 THR 49 HG23 THR 49 -17.445 2.318 -5.044 110 H VAL 50 HN VAL 50 -13.738 0.792 -3.515 111 HA VAL 50 HA VAL 50 -12.717 -1.729 -4.527 112 HB VAL 50 HB VAL 50 -13.000 -1.323 -1.563 113 HG11 VAL 50 HG11 VAL 50 -10.812 -2.357 -1.600 114 HG12 VAL 50 HG12 VAL 50 -10.962 -2.518 -3.350 115 HG13 VAL 50 HG13 VAL 50 -12.116 -3.325 -2.286 116 HG21 VAL 50 HG21 VAL 50 -10.994 0.164 -3.273 117 HG22 VAL 50 HG22 VAL 50 -10.894 0.016 -1.517 118 HG23 VAL 50 HG23 VAL 50 -12.221 0.906 -2.255 119 H TYR 51 HN TYR 51 -13.814 -3.619 -4.328 120 HA TYR 51 HA TYR 51 -16.527 -3.394 -3.330 121 HB2 TYR 51 HB2 TYR 51 -15.215 -5.572 -4.981 122 HB3 TYR 51 HB1 TYR 51 -16.938 -5.509 -4.583 123 HD1 TYR 51 HD1 TYR 51 -17.226 -2.536 -4.982 124 HD2 TYR 51 HD2 TYR 51 -15.393 -5.514 -7.357 125 HE1 TYR 51 HE1 TYR 51 -17.609 -1.142 -6.972 126 HE2 TYR 51 HE2 TYR 51 -15.758 -4.152 -9.374 127 HH TYR 51 HH TYR 51 -16.686 -0.870 -9.184 128 HA PRO 52 HA PRO 52 -16.140 -5.117 0.553 129 HB2 PRO 52 HB2 PRO 52 -17.648 -7.486 -0.319 130 HB3 PRO 52 HB1 PRO 52 -17.879 -6.501 1.129 131 HG2 PRO 52 HG2 PRO 52 -19.506 -6.132 -0.912 132 HG3 PRO 52 HG1 PRO 52 -18.826 -4.721 -0.082 133 HD2 PRO 52 HD2 PRO 52 -18.111 -5.893 -2.724 134 HD3 PRO 52 HD1 PRO 52 -18.144 -4.197 -2.206 135 H MET 53 HN MET 53 -15.662 -7.811 -1.767 136 HA MET 53 HA MET 53 -14.193 -9.325 0.177 137 HB2 MET 53 HB2 MET 53 -15.333 -10.445 -1.634 138 HB3 MET 53 HB1 MET 53 -14.245 -9.706 -2.820 139 HG2 MET 53 HG2 MET 53 -12.364 -10.836 -1.672 140 HG3 MET 53 HG1 MET 53 -13.520 -11.634 -0.625 141 HE1 MET 53 HE1 MET 53 -11.310 -13.186 -2.351 142 HE2 MET 53 HE2 MET 53 -12.268 -14.556 -2.907 143 HE3 MET 53 HE3 MET 53 -12.448 -13.967 -1.254 144 H GLU 54 HN GLU 54 -13.286 -6.897 -2.106 145 HA GLU 54 HA GLU 54 -10.484 -7.631 -1.925 146 HB2 GLU 54 HB2 GLU 54 -11.913 -5.596 -3.633 147 HB3 GLU 54 HB1 GLU 54 -10.213 -6.004 -3.757 148 HG2 GLU 54 HG2 GLU 54 -10.822 -8.319 -4.302 149 HG3 GLU 54 HG1 GLU 54 -12.515 -7.880 -4.195 150 H ARG 55 HN ARG 55 -12.754 -5.569 -0.556 151 HA ARG 55 HA ARG 55 -11.125 -3.342 0.026 152 HB2 ARG 55 HB2 ARG 55 -13.316 -2.843 0.053 153 HB3 ARG 55 HB1 ARG 55 -13.803 -4.275 0.912 154 HG2 ARG 55 HG2 ARG 55 -12.443 -3.080 2.866 155 HG3 ARG 55 HG1 ARG 55 -12.765 -1.650 1.895 156 HD2 ARG 55 HD2 ARG 55 -15.182 -2.160 1.898 157 HD3 ARG 55 HD1 ARG 55 -14.865 -3.571 2.896 158 HE ARG 55 HE ARG 55 -14.018 -1.014 3.972 159 HH11 ARG 55 HH11 ARG 55 -16.512 -3.554 3.987 160 HH12 ARG 55 HH12 ARG 55 -17.276 -3.005 5.393 161 HH21 ARG 55 HH21 ARG 55 -15.104 -0.276 5.955 162 HH22 ARG 55 HH22 ARG 55 -16.457 -1.117 6.536 163 H LEU 56 HN LEU 56 -9.423 -3.637 0.905 164 HA LEU 56 HA LEU 56 -9.158 -4.912 3.523 165 HB2 LEU 56 HB2 LEU 56 -7.869 -6.079 1.886 166 HB3 LEU 56 HB1 LEU 56 -7.313 -4.602 1.155 167 HG LEU 56 HG LEU 56 -6.398 -5.292 3.948 168 HD11 LEU 56 HD11 LEU 56 -4.588 -6.536 3.019 169 HD12 LEU 56 HD12 LEU 56 -5.130 -6.165 1.388 170 HD13 LEU 56 HD13 LEU 56 -6.085 -7.265 2.403 171 HD21 LEU 56 HD21 LEU 56 -5.090 -3.913 1.603 172 HD22 LEU 56 HD22 LEU 56 -4.434 -4.077 3.235 173 HD23 LEU 56 HD23 LEU 56 -5.870 -3.095 2.957 174 H VAL 57 HN VAL 57 -7.701 -3.741 4.971 175 HA VAL 57 HA VAL 57 -7.329 -0.969 4.211 176 HB VAL 57 HB VAL 57 -9.187 -0.862 5.709 177 HG11 VAL 57 HG11 VAL 57 -9.185 -1.801 7.972 178 HG12 VAL 57 HG12 VAL 57 -7.642 -2.596 7.629 179 HG13 VAL 57 HG13 VAL 57 -9.092 -3.034 6.716 180 HG21 VAL 57 HG21 VAL 57 -7.535 0.850 6.077 181 HG22 VAL 57 HG22 VAL 57 -6.665 -0.179 7.204 182 HG23 VAL 57 HG23 VAL 57 -8.273 0.422 7.623 183 H ALA 58 HN ALA 58 -5.239 -0.751 3.926 184 HA ALA 58 HA ALA 58 -3.433 -1.955 5.939 185 HB1 ALA 58 HB1 ALA 58 -2.708 -0.885 3.173 186 HB2 ALA 58 HB2 ALA 58 -2.953 -2.581 3.501 187 HB3 ALA 58 HB3 ALA 58 -1.618 -1.733 4.251 188 H ASP 59 HN ASP 59 -2.281 -0.544 7.194 189 HA ASP 59 HA ASP 59 -1.874 1.420 8.265 190 HB2 ASP 59 HB2 ASP 59 -1.281 2.959 5.825 191 HB3 ASP 59 HB1 ASP 59 -0.514 2.697 7.331 192 H LYS 60 HN LYS 60 -4.520 1.123 7.848 193 HA LYS 60 HA LYS 60 -6.423 2.120 8.107 194 HB2 LYS 60 HB2 LYS 60 -4.658 4.242 8.617 195 HB3 LYS 60 HB1 LYS 60 -6.369 4.693 8.428 196 HG2 LYS 60 HG2 LYS 60 -6.120 4.343 10.740 197 HG3 LYS 60 HG1 LYS 60 -6.773 2.841 10.134 198 HD2 LYS 60 HD2 LYS 60 -4.670 1.734 10.231 199 HD3 LYS 60 HD1 LYS 60 -3.818 3.246 10.528 200 HE2 LYS 60 HE2 LYS 60 -5.850 2.055 12.405 201 HE3 LYS 60 HE1 LYS 60 -4.108 1.827 12.558 202 HZ1 LYS 60 HZ1 LYS 60 -5.513 4.464 12.666 203 HZ2 LYS 60 HZ2 LYS 60 -3.865 4.227 12.752 204 HZ3 LYS 60 HZ3 LYS 60 -4.850 3.632 13.978 205 H LEU 61 HN LEU 61 -4.695 2.531 5.411 206 HA LEU 61 HA LEU 61 -6.604 4.221 4.031 207 HB2 LEU 61 HB2 LEU 61 -4.329 2.601 3.012 208 HB3 LEU 61 HB1 LEU 61 -5.165 3.866 2.128 209 HG LEU 61 HG LEU 61 -3.457 4.294 4.589 210 HD11 LEU 61 HD11 LEU 61 -1.848 5.297 3.095 211 HD12 LEU 61 HD12 LEU 61 -2.902 4.975 1.720 212 HD13 LEU 61 HD13 LEU 61 -2.180 3.630 2.601 213 HD21 LEU 61 HD21 LEU 61 -5.243 5.939 4.405 214 HD22 LEU 61 HD22 LEU 61 -4.787 6.268 2.733 215 HD23 LEU 61 HD23 LEU 61 -3.681 6.672 4.047 216 H ILE 62 HN ILE 62 -8.253 3.408 2.740 217 HA ILE 62 HA ILE 62 -8.664 0.526 2.968 218 HB ILE 62 HB ILE 62 -10.663 2.494 1.841 219 HG12 ILE 62 HG12 ILE 62 -10.008 3.299 4.067 220 HG13 ILE 62 HG11 ILE 62 -11.671 2.731 4.030 221 HG21 ILE 62 HG21 ILE 62 -11.072 0.131 1.501 222 HG22 ILE 62 HG22 ILE 62 -12.240 0.828 2.655 223 HG23 ILE 62 HG23 ILE 62 -10.865 -0.121 3.246 224 HD11 ILE 62 HD11 ILE 62 -9.302 1.272 5.152 225 HD12 ILE 62 HD12 ILE 62 -10.949 0.648 5.098 226 HD13 ILE 62 HD13 ILE 62 -10.573 2.069 6.083 227 H PHE 63 HN PHE 63 -8.219 -0.700 1.284 228 HA PHE 63 HA PHE 63 -8.913 0.020 -1.298 229 HB2 PHE 63 HB2 PHE 63 -6.622 -0.017 -2.386 230 HB3 PHE 63 HB1 PHE 63 -7.120 1.334 -1.382 231 HD1 PHE 63 HD2 PHE 63 -5.577 -1.846 -0.090 232 HD2 PHE 63 HD1 PHE 63 -5.378 2.343 -0.779 233 HE1 PHE 63 HE2 PHE 63 -3.560 -1.694 1.276 234 HE2 PHE 63 HE1 PHE 63 -3.405 2.476 0.553 235 HZ PHE 63 HZ PHE 63 -2.447 0.530 1.590 236 H HIS 64 HN HIS 64 -8.104 -1.397 -3.002 237 HA HIS 64 HA HIS 64 -8.851 -4.038 -2.610 238 HB2 HIS 64 HB2 HIS 64 -6.989 -2.946 -4.743 239 HB3 HIS 64 HB1 HIS 64 -7.964 -4.398 -4.826 240 HD2 HIS 64 HD2 HIS 64 -10.483 -4.067 -5.611 241 HE1 HIS 64 HE1 HIS 64 -10.337 0.138 -6.062 242 HE2 HIS 64 HE2 HIS 64 -11.545 -2.009 -6.735 243 H ASN 65 HN ASN 65 -7.758 -5.604 -1.734 244 HA ASN 65 HA ASN 65 -5.206 -5.452 -0.695 245 HB2 ASN 65 HB2 ASN 65 -5.287 -7.979 -0.519 246 HB3 ASN 65 HB1 ASN 65 -6.621 -7.120 0.215 247 HD21 ASN 65 HD21 ASN 65 -7.888 -8.927 0.210 248 HD22 ASN 65 HD22 ASN 65 -8.603 -9.596 -1.199 249 H SER 66 HN SER 66 -6.219 -6.408 -3.843 250 HA SER 66 HA SER 66 -3.779 -7.464 -4.763 251 HB2 SER 66 HB2 SER 66 -5.073 -7.169 -6.883 252 HB3 SER 66 HB1 SER 66 -5.603 -8.354 -5.688 253 HG SER 66 HG SER 66 -7.036 -6.297 -6.635 254 H CYS 67 HN CYS 67 -4.520 -4.063 -4.328 255 HA CYS 67 HA CYS 67 -3.310 -3.578 -6.957 256 HB2 CYS 67 HB2 CYS 67 -4.183 -1.233 -6.731 257 HB3 CYS 67 HB1 CYS 67 -5.417 -2.507 -6.951 258 H PHE 68 HN PHE 68 -2.520 -2.947 -3.631 259 HA PHE 68 HA PHE 68 -1.052 -0.671 -4.443 260 HB2 PHE 68 HB2 PHE 68 -0.110 -0.699 -2.089 261 HB3 PHE 68 HB1 PHE 68 -1.824 -0.260 -2.264 262 HD1 PHE 68 HD2 PHE 68 -3.212 -2.751 -1.997 263 HD2 PHE 68 HD1 PHE 68 0.508 -1.599 -0.297 264 HE1 PHE 68 HE2 PHE 68 -3.571 -4.331 -0.117 265 HE2 PHE 68 HE1 PHE 68 0.148 -3.159 1.557 266 HZ PHE 68 HZ PHE 68 -1.863 -4.521 1.643 267 H CYS 69 HN CYS 69 0.567 -0.663 -5.487 268 HA CYS 69 HA CYS 69 2.638 -2.670 -5.104 269 HB2 CYS 69 HB2 CYS 69 1.959 -1.108 -7.615 270 HB3 CYS 69 HB1 CYS 69 3.149 -2.372 -7.421 271 HG CYS 69 HG CYS 69 -0.181 -2.883 -7.000 272 H CYS 70 HN CYS 70 4.762 -1.749 -5.809 273 HA CYS 70 HA CYS 70 5.316 0.631 -4.416 274 HB2 CYS 70 HB2 CYS 70 6.957 -0.977 -4.447 275 HB3 CYS 70 HB1 CYS 70 6.976 -1.183 -6.172 276 H LYS 71 HN LYS 71 5.773 2.546 -5.084 277 HA LYS 71 HA LYS 71 4.450 3.516 -7.481 278 HB2 LYS 71 HB2 LYS 71 4.543 4.588 -5.119 279 HB3 LYS 71 HB1 LYS 71 6.120 5.153 -5.665 280 HG2 LYS 71 HG2 LYS 71 4.555 6.885 -6.116 281 HG3 LYS 71 HG1 LYS 71 5.020 6.143 -7.646 282 HD2 LYS 71 HD2 LYS 71 2.874 4.625 -7.025 283 HD3 LYS 71 HD1 LYS 71 2.435 6.135 -6.239 284 HE2 LYS 71 HE2 LYS 71 3.325 5.803 -9.024 285 HE3 LYS 71 HE1 LYS 71 1.628 6.005 -8.555 286 HZ1 LYS 71 HZ1 LYS 71 3.813 8.023 -8.207 287 HZ2 LYS 71 HZ2 LYS 71 2.243 8.240 -7.668 288 HZ3 LYS 71 HZ3 LYS 71 2.562 8.123 -9.313 289 H HIS 72 HN HIS 72 7.621 2.546 -6.766 290 HA HIS 72 HA HIS 72 8.605 4.135 -9.024 291 HB2 HIS 72 HB2 HIS 72 9.871 4.191 -6.848 292 HB3 HIS 72 HB1 HIS 72 10.298 2.502 -7.121 293 HD2 HIS 72 HD2 HIS 72 12.131 2.098 -9.280 294 HE1 HIS 72 HE1 HIS 72 13.240 6.175 -9.392 295 HE2 HIS 72 HE2 HIS 72 13.985 3.833 -9.850 296 H CYS 73 HN CYS 73 8.070 0.825 -7.952 297 HA CYS 73 HA CYS 73 8.580 0.018 -10.660 298 HB2 CYS 73 HB2 CYS 73 9.771 -1.965 -9.934 299 HB3 CYS 73 HB1 CYS 73 10.405 -0.564 -9.163 300 H HIS 74 HN HIS 74 6.769 -1.434 -11.324 301 HA HIS 74 HA HIS 74 4.557 -1.311 -9.414 302 HB2 HIS 74 HB2 HIS 74 4.321 -0.935 -11.970 303 HB3 HIS 74 HB1 HIS 74 4.356 -2.694 -12.077 304 HD1 HIS 74 HD1 HIS 74 2.170 -3.961 -11.401 305 HD2 HIS 74 HD2 HIS 74 1.991 0.134 -10.681 306 HE1 HIS 74 HE1 HIS 74 -0.219 -3.467 -10.913 307 HE2 HIS 74 HE2 HIS 74 -0.344 -0.984 -10.621 308 H THR 75 HN THR 75 6.242 -2.639 -8.296 309 HA THR 75 HA THR 75 5.975 -5.479 -8.446 310 HB THR 75 HB THR 75 7.499 -3.451 -6.994 311 HG1 THR 75 HG1 THR 75 8.014 -5.491 -8.561 312 HG21 THR 75 HG21 THR 75 6.863 -6.035 -5.564 313 HG22 THR 75 HG22 THR 75 6.724 -4.327 -5.020 314 HG23 THR 75 HG23 THR 75 8.306 -5.052 -5.233 315 H LYS 76 HN LYS 76 4.235 -6.470 -7.727 316 HA LYS 76 HA LYS 76 2.275 -5.192 -6.083 317 HB2 LYS 76 HB2 LYS 76 1.874 -6.834 -8.018 318 HB3 LYS 76 HB1 LYS 76 2.406 -8.097 -6.932 319 HG2 LYS 76 HG2 LYS 76 0.068 -6.311 -6.273 320 HG3 LYS 76 HG1 LYS 76 -0.118 -7.751 -7.259 321 HD2 LYS 76 HD2 LYS 76 0.972 -7.697 -4.449 322 HD3 LYS 76 HD1 LYS 76 -0.693 -8.094 -4.874 323 HE2 LYS 76 HE2 LYS 76 1.791 -9.620 -5.694 324 HE3 LYS 76 HE1 LYS 76 0.595 -10.116 -4.503 325 HZ1 LYS 76 HZ1 LYS 76 -1.074 -10.183 -6.338 326 HZ2 LYS 76 HZ2 LYS 76 0.176 -11.262 -6.513 327 HZ3 LYS 76 HZ3 LYS 76 0.172 -9.861 -7.448 328 H LEU 77 HN LEU 77 3.282 -4.748 -4.323 329 HA LEU 77 HA LEU 77 4.522 -6.747 -2.596 330 HB2 LEU 77 HB2 LEU 77 5.567 -4.773 -1.513 331 HB3 LEU 77 HB1 LEU 77 5.692 -4.861 -3.263 332 HG LEU 77 HG LEU 77 4.047 -3.212 -3.677 333 HD11 LEU 77 HD11 LEU 77 2.727 -3.387 -1.496 334 HD12 LEU 77 HD12 LEU 77 3.127 -1.761 -2.065 335 HD13 LEU 77 HD13 LEU 77 4.098 -2.503 -0.802 336 HD21 LEU 77 HD21 LEU 77 5.361 -1.357 -3.040 337 HD22 LEU 77 HD22 LEU 77 6.392 -2.730 -3.497 338 HD23 LEU 77 HD23 LEU 77 6.144 -2.323 -1.800 339 H SER 78 HN SER 78 1.622 -5.959 -3.046 340 HA SER 78 HA SER 78 0.428 -4.867 -0.869 341 HB2 SER 78 HB2 SER 78 -0.542 -7.160 -2.404 342 HB3 SER 78 HB1 SER 78 -1.504 -5.862 -1.695 343 HG SER 78 HG SER 78 0.022 -4.526 -3.221 344 H LEU 79 HN LEU 79 -0.044 -5.508 1.059 345 HA LEU 79 HA LEU 79 0.096 -6.562 3.053 346 HB2 LEU 79 HB2 LEU 79 -2.095 -7.144 1.548 347 HB3 LEU 79 HB1 LEU 79 -1.580 -8.717 2.134 348 HG LEU 79 HG LEU 79 -3.255 -7.757 3.638 349 HD11 LEU 79 HD11 LEU 79 -0.550 -7.789 4.917 350 HD12 LEU 79 HD12 LEU 79 -1.562 -9.211 4.601 351 HD13 LEU 79 HD13 LEU 79 -2.104 -7.962 5.734 352 HD21 LEU 79 HD21 LEU 79 -2.831 -5.401 3.242 353 HD22 LEU 79 HD22 LEU 79 -1.264 -5.536 4.027 354 HD23 LEU 79 HD23 LEU 79 -2.740 -5.763 4.966 355 H GLY 80 HN GLY 80 1.943 -7.350 3.728 356 HA2 GLY 80 HA2 GLY 80 2.444 -9.792 4.450 357 HA3 GLY 80 HA1 GLY 80 2.848 -9.926 2.738 358 H SER 81 HN SER 81 4.173 -7.992 1.973 359 HA SER 81 HA SER 81 5.918 -6.959 4.017 360 HB2 SER 81 HB2 SER 81 7.925 -7.592 2.518 361 HB3 SER 81 HB1 SER 81 7.155 -8.870 3.465 362 HG SER 81 HG SER 81 5.842 -9.123 1.430 363 H TYR 82 HN TYR 82 5.511 -4.812 3.714 364 HA TYR 82 HA TYR 82 6.092 -3.716 1.126 365 HB2 TYR 82 HB2 TYR 82 3.968 -2.535 0.972 366 HB3 TYR 82 HB1 TYR 82 3.677 -4.243 1.070 367 HD1 TYR 82 HD1 TYR 82 3.930 -1.298 3.265 368 HD2 TYR 82 HD2 TYR 82 1.849 -4.908 2.466 369 HE1 TYR 82 HE1 TYR 82 2.266 -0.709 4.977 370 HE2 TYR 82 HE2 TYR 82 0.218 -4.356 4.193 371 HH TYR 82 HH TYR 82 0.068 -1.193 5.461 372 H ALA 83 HN ALA 83 6.092 -1.366 1.266 373 HA ALA 83 HA ALA 83 6.520 -0.400 3.976 374 HB1 ALA 83 HB1 ALA 83 8.378 0.982 3.116 375 HB2 ALA 83 HB2 ALA 83 8.229 0.176 1.553 376 HB3 ALA 83 HB3 ALA 83 8.712 -0.743 2.982 377 H ALA 84 HN ALA 84 5.107 1.255 4.269 378 HA ALA 84 HA ALA 84 4.113 2.511 1.820 379 HB1 ALA 84 HB1 ALA 84 1.979 2.831 2.886 380 HB2 ALA 84 HB2 ALA 84 2.573 2.085 4.377 381 HB3 ALA 84 HB3 ALA 84 2.429 1.130 2.896 382 H LEU 85 HN LEU 85 3.861 4.712 1.741 383 HA LEU 85 HA LEU 85 4.603 6.234 4.108 384 HB2 LEU 85 HB2 LEU 85 6.497 6.225 2.530 385 HB3 LEU 85 HB1 LEU 85 5.430 6.740 1.230 386 HG LEU 85 HG LEU 85 5.028 8.776 2.688 387 HD11 LEU 85 HD11 LEU 85 6.726 9.367 4.187 388 HD12 LEU 85 HD12 LEU 85 7.553 7.814 3.899 389 HD13 LEU 85 HD13 LEU 85 5.968 7.851 4.727 390 HD21 LEU 85 HD21 LEU 85 7.749 8.323 1.504 391 HD22 LEU 85 HD22 LEU 85 7.066 9.874 1.966 392 HD23 LEU 85 HD23 LEU 85 6.314 8.935 0.667 393 H HIS 86 HN HIS 86 3.423 8.153 4.205 394 HA HIS 86 HA HIS 86 0.905 8.432 3.195 395 HB2 HIS 86 HB2 HIS 86 1.325 10.975 3.415 396 HB3 HIS 86 HB1 HIS 86 1.513 10.004 4.864 397 HD1 HIS 86 HD1 HIS 86 3.625 10.413 6.124 398 HD2 HIS 86 HD2 HIS 86 4.051 11.541 2.159 399 HE1 HIS 86 HE1 HIS 86 5.900 11.416 5.927 400 HE2 HIS 86 HE2 HIS 86 5.877 12.486 3.673 401 H GLY 87 HN GLY 87 0.175 8.486 1.187 402 HA2 GLY 87 HA2 GLY 87 -0.006 9.534 -0.915 403 HA3 GLY 87 HA1 GLY 87 1.682 9.998 -0.784 404 H GLU 88 HN GLU 88 2.923 7.503 -0.259 405 HA GLU 88 HA GLU 88 2.276 6.138 -2.775 406 HB2 GLU 88 HB2 GLU 88 5.121 6.985 -2.100 407 HB3 GLU 88 HB1 GLU 88 4.517 6.188 -3.523 408 HG2 GLU 88 HG2 GLU 88 3.315 8.042 -4.278 409 HG3 GLU 88 HG1 GLU 88 3.516 8.885 -2.752 410 H PHE 89 HN PHE 89 2.719 4.007 -2.852 411 HA PHE 89 HA PHE 89 3.574 2.734 -0.385 412 HB2 PHE 89 HB2 PHE 89 2.196 1.632 -2.872 413 HB3 PHE 89 HB1 PHE 89 2.468 0.734 -1.383 414 HD1 PHE 89 HD2 PHE 89 0.572 3.397 -3.025 415 HD2 PHE 89 HD1 PHE 89 1.039 1.200 0.622 416 HE1 PHE 89 HE2 PHE 89 -1.503 4.377 -2.151 417 HE2 PHE 89 HE1 PHE 89 -1.007 2.174 1.459 418 HZ PHE 89 HZ PHE 89 -2.271 3.813 0.051 419 H TYR 90 HN TYR 90 5.481 1.530 -0.501 420 HA TYR 90 HA TYR 90 6.926 1.766 -3.052 421 HB2 TYR 90 HB2 TYR 90 7.049 3.366 -0.875 422 HB3 TYR 90 HB1 TYR 90 8.503 2.380 -0.637 423 HD1 TYR 90 HD1 TYR 90 6.484 4.606 -2.840 424 HD2 TYR 90 HD2 TYR 90 10.408 3.141 -2.006 425 HE1 TYR 90 HE1 TYR 90 7.409 6.278 -4.309 426 HE2 TYR 90 HE2 TYR 90 11.342 4.835 -3.487 427 HH TYR 90 HH TYR 90 9.471 7.422 -4.699 428 H CYS 91 HN CYS 91 8.581 0.145 -3.165 429 HA CYS 91 HA CYS 91 8.043 -2.094 -1.412 430 HB2 CYS 91 HB2 CYS 91 9.635 -3.359 -2.740 431 HB3 CYS 91 HB1 CYS 91 8.575 -2.529 -3.838 432 H LYS 92 HN LYS 92 9.620 -2.989 0.018 433 HA LYS 92 HA LYS 92 10.854 -1.113 1.554 434 HB2 LYS 92 HB2 LYS 92 11.598 -4.019 1.301 435 HB3 LYS 92 HB1 LYS 92 12.097 -2.983 2.631 436 HG2 LYS 92 HG2 LYS 92 9.714 -2.659 3.212 437 HG3 LYS 92 HG1 LYS 92 9.275 -3.772 1.915 438 HD2 LYS 92 HD2 LYS 92 10.590 -5.538 3.029 439 HD3 LYS 92 HD1 LYS 92 10.952 -4.418 4.343 440 HE2 LYS 92 HE2 LYS 92 8.532 -4.196 4.774 441 HE3 LYS 92 HE1 LYS 92 8.219 -5.380 3.510 442 HZ1 LYS 92 HZ1 LYS 92 8.166 -6.448 5.644 443 HZ2 LYS 92 HZ2 LYS 92 9.658 -5.853 6.065 444 HZ3 LYS 92 HZ3 LYS 92 9.533 -7.007 4.835 445 HA PRO 93 HA PRO 93 15.203 -1.930 -0.682 446 HB2 PRO 93 HB2 PRO 93 14.210 -2.258 -3.433 447 HB3 PRO 93 HB1 PRO 93 15.583 -3.024 -2.629 448 HG2 PRO 93 HG2 PRO 93 13.325 -4.403 -3.131 449 HG3 PRO 93 HG1 PRO 93 14.235 -4.672 -1.642 450 HD2 PRO 93 HD2 PRO 93 11.720 -3.185 -2.081 451 HD3 PRO 93 HD1 PRO 93 12.226 -4.175 -0.699 452 H HIS 94 HN HIS 94 12.601 -0.652 -2.806 453 HA HIS 94 HA HIS 94 14.166 1.592 -3.578 454 HB2 HIS 94 HB2 HIS 94 11.241 0.977 -3.954 455 HB3 HIS 94 HB1 HIS 94 11.882 2.567 -4.337 456 HD2 HIS 94 HD2 HIS 94 14.679 1.336 -5.622 457 HE1 HIS 94 HE1 HIS 94 11.944 -0.155 -8.505 458 HE2 HIS 94 HE2 HIS 94 14.354 0.573 -8.092 459 H PHE 95 HN PHE 95 11.917 1.083 -1.006 460 HA PHE 95 HA PHE 95 11.416 3.745 -0.225 461 HB2 PHE 95 HB2 PHE 95 10.434 1.418 0.497 462 HB3 PHE 95 HB1 PHE 95 11.715 1.468 1.696 463 HD1 PHE 95 HD2 PHE 95 9.321 3.970 0.363 464 HD2 PHE 95 HD1 PHE 95 10.867 1.962 3.750 465 HE1 PHE 95 HE2 PHE 95 7.823 5.230 1.744 466 HE2 PHE 95 HE1 PHE 95 9.329 3.241 5.207 467 HZ PHE 95 HZ PHE 95 7.793 4.885 4.206 468 H GLN 96 HN GLN 96 13.944 1.435 0.605 469 HA GLN 96 HA GLN 96 15.342 3.030 2.466 470 HB2 GLN 96 HB2 GLN 96 16.237 0.768 0.726 471 HB3 GLN 96 HB1 GLN 96 17.251 1.511 1.961 472 HG2 GLN 96 HG2 GLN 96 15.655 0.890 3.652 473 HG3 GLN 96 HG1 GLN 96 14.600 0.212 2.411 474 HE21 GLN 96 HE21 GLN 96 16.821 -0.948 0.907 475 HE22 GLN 96 HE22 GLN 96 17.423 -2.269 1.840 476 H GLN 97 HN GLN 97 15.880 2.518 -1.034 477 HA GLN 97 HA GLN 97 18.235 4.080 -1.117 478 HB2 GLN 97 HB2 GLN 97 16.305 3.086 -3.186 479 HB3 GLN 97 HB1 GLN 97 17.810 3.902 -3.566 480 HG2 GLN 97 HG2 GLN 97 19.089 2.116 -2.641 481 HG3 GLN 97 HG1 GLN 97 17.644 1.382 -1.941 482 HE21 GLN 97 HE21 GLN 97 16.263 0.293 -3.222 483 HE22 GLN 97 HE22 GLN 97 16.649 -0.252 -4.826 484 H LEU 98 HN LEU 98 14.918 4.657 -2.214 485 HA LEU 98 HA LEU 98 15.534 7.257 -3.179 486 HB2 LEU 98 HB2 LEU 98 13.052 5.652 -3.021 487 HB3 LEU 98 HB1 LEU 98 13.093 7.272 -3.703 488 HG LEU 98 HG LEU 98 14.974 5.176 -4.746 489 HD11 LEU 98 HD11 LEU 98 12.129 5.633 -5.565 490 HD12 LEU 98 HD12 LEU 98 12.803 4.190 -4.790 491 HD13 LEU 98 HD13 LEU 98 13.307 4.633 -6.427 492 HD21 LEU 98 HD21 LEU 98 14.726 6.518 -6.784 493 HD22 LEU 98 HD22 LEU 98 15.314 7.483 -5.420 494 HD23 LEU 98 HD23 LEU 98 13.619 7.581 -5.916 495 H PHE 99 HN PHE 99 13.617 6.015 -0.434 496 HA PHE 99 HA PHE 99 13.160 8.801 0.291 497 HB2 PHE 99 HB2 PHE 99 11.738 6.289 0.883 498 HB3 PHE 99 HB1 PHE 99 11.467 7.649 1.974 499 HD1 PHE 99 HD1 PHE 99 11.850 9.255 -1.041 500 HD2 PHE 99 HD2 PHE 99 9.238 6.380 0.754 501 HE1 PHE 99 HE1 PHE 99 10.072 9.860 -2.624 502 HE2 PHE 99 HE2 PHE 99 7.497 6.998 -0.852 503 HZ PHE 99 HZ PHE 99 7.936 8.752 -2.547 504 H LYS 100 HN LYS 100 14.884 6.024 1.298 505 HA LYS 100 HA LYS 100 16.236 5.513 2.944 506 HB2 LYS 100 HB2 LYS 100 16.501 8.519 3.179 507 HB3 LYS 100 HB1 LYS 100 17.527 7.335 3.989 508 HG2 LYS 100 HG2 LYS 100 18.288 6.478 1.861 509 HG3 LYS 100 HG1 LYS 100 17.216 7.585 1.009 510 HD2 LYS 100 HD2 LYS 100 18.449 9.486 1.864 511 HD3 LYS 100 HD1 LYS 100 19.466 8.412 2.831 512 HE2 LYS 100 HE2 LYS 100 20.609 9.112 0.779 513 HE3 LYS 100 HE1 LYS 100 20.331 7.377 0.812 514 HZ1 LYS 100 HZ1 LYS 100 18.451 7.676 -0.698 515 HZ2 LYS 100 HZ2 LYS 100 19.847 8.326 -1.343 516 HZ3 LYS 100 HZ3 LYS 100 18.689 9.350 -0.686 517 H SER 101 HN SER 101 13.555 5.527 3.533 518 HA SER 101 HA SER 101 13.349 6.613 6.182 519 HB2 SER 101 HB2 SER 101 10.903 5.835 5.750 520 HB3 SER 101 HB1 SER 101 11.558 7.280 4.965 521 HG SER 101 HG SER 101 10.685 6.143 3.360 522 H LYS 102 HN LYS 102 12.065 3.528 4.843 523 HA LYS 102 HA LYS 102 13.031 2.353 7.361 524 HB2 LYS 102 HB2 LYS 102 10.573 2.707 7.434 525 HB3 LYS 102 HB1 LYS 102 10.401 1.624 6.060 526 HG2 LYS 102 HG2 LYS 102 9.863 0.454 8.103 527 HG3 LYS 102 HG1 LYS 102 11.348 -0.208 7.412 528 HD2 LYS 102 HD2 LYS 102 12.666 1.159 8.983 529 HD3 LYS 102 HD1 LYS 102 11.166 1.779 9.679 530 HE2 LYS 102 HE2 LYS 102 10.547 -0.532 10.271 531 HE3 LYS 102 HE1 LYS 102 12.101 -1.081 9.654 532 HZ1 LYS 102 HZ1 LYS 102 11.734 0.822 11.905 533 HZ2 LYS 102 HZ2 LYS 102 13.211 0.271 11.316 534 HZ3 LYS 102 HZ3 LYS 102 12.142 -0.809 12.043 535 H GLY 103 HN GLY 103 11.378 0.594 4.671 536 HA2 GLY 103 HA2 GLY 103 12.174 -1.051 3.344 537 HA3 GLY 103 HA1 GLY 103 13.792 -0.543 3.811 538 H ASN 104 HN ASN 104 14.939 -1.789 4.928 539 HA ASN 104 HA ASN 104 15.715 -3.313 6.318 540 HB2 ASN 104 HB2 ASN 104 14.077 -2.601 8.032 541 HB3 ASN 104 HB1 ASN 104 12.888 -3.696 7.340 542 HD21 ASN 104 HD21 ASN 104 16.364 -4.222 8.007 543 HD22 ASN 104 HD22 ASN 104 16.079 -5.552 9.069 544 H TYR 105 HN TYR 105 16.229 -4.370 4.415 545 HA TYR 105 HA TYR 105 14.916 -6.999 4.171 546 HB2 TYR 105 HB2 TYR 105 15.619 -5.059 2.118 547 HB3 TYR 105 HB1 TYR 105 16.508 -6.557 1.883 548 HD1 TYR 105 HD1 TYR 105 13.164 -5.081 2.100 549 HD2 TYR 105 HD2 TYR 105 15.414 -8.538 1.122 550 HE1 TYR 105 HE1 TYR 105 11.170 -6.078 1.037 551 HE2 TYR 105 HE2 TYR 105 13.434 -9.538 0.064 552 HH TYR 105 HH TYR 105 11.027 -9.345 0.131 553 H ASP 106 HN ASP 106 16.234 -7.527 5.943 554 HA ASP 106 HA ASP 106 17.993 -8.014 7.171 555 HB2 ASP 106 HB2 ASP 106 19.765 -9.495 6.315 556 HB3 ASP 106 HB1 ASP 106 18.226 -9.987 5.660 557 H GLU 107 HN GLU 107 17.737 -5.550 6.360 558 HA GLU 107 HA GLU 107 20.436 -4.468 6.631 559 HB2 GLU 107 HB2 GLU 107 18.111 -3.323 5.056 560 HB3 GLU 107 HB1 GLU 107 19.617 -2.482 5.373 561 HG2 GLU 107 HG2 GLU 107 20.828 -4.122 4.079 562 HG3 GLU 107 HG1 GLU 107 19.334 -5.017 3.784 Start of MODEL 2 1 H1 ARG 36 HT1 ARG 36 -28.965 -3.466 5.760 2 H2 ARG 36 HT2 ARG 36 -27.351 -3.320 6.306 3 H3 ARG 36 HT3 ARG 36 -27.715 -3.065 4.703 4 HA ARG 36 HA ARG 36 -28.977 -1.138 5.185 5 HB2 ARG 36 HB2 ARG 36 -29.791 -1.831 7.391 6 HB3 ARG 36 HB1 ARG 36 -28.162 -1.702 8.040 7 HG2 ARG 36 HG2 ARG 36 -28.196 0.715 7.528 8 HG3 ARG 36 HG1 ARG 36 -29.870 0.543 6.995 9 HD2 ARG 36 HD2 ARG 36 -30.503 -0.237 9.210 10 HD3 ARG 36 HD1 ARG 36 -28.829 -0.109 9.740 11 HE ARG 36 HE ARG 36 -30.094 2.291 8.708 12 HH11 ARG 36 HH11 ARG 36 -28.906 0.500 11.521 13 HH12 ARG 36 HH12 ARG 36 -29.025 1.802 12.601 14 HH21 ARG 36 HH21 ARG 36 -30.246 4.109 10.200 15 HH22 ARG 36 HH22 ARG 36 -29.831 3.896 11.831 16 H ALA 37 HN ALA 37 -27.732 0.311 4.314 17 HA ALA 37 HA ALA 37 -26.140 1.739 3.847 18 HB1 ALA 37 HB1 ALA 37 -25.242 1.413 6.704 19 HB2 ALA 37 HB2 ALA 37 -26.522 2.485 6.152 20 HB3 ALA 37 HB3 ALA 37 -24.859 2.757 5.628 21 H GLN 38 HN GLN 38 -24.824 1.134 2.388 22 HA GLN 38 HA GLN 38 -22.920 -0.918 2.620 23 HB2 GLN 38 HB2 GLN 38 -23.157 1.389 0.674 24 HB3 GLN 38 HB1 GLN 38 -21.953 0.129 0.518 25 HG2 GLN 38 HG2 GLN 38 -23.768 -0.319 -1.000 26 HG3 GLN 38 HG1 GLN 38 -23.783 -1.531 0.270 27 HE21 GLN 38 HE21 GLN 38 -25.943 -2.000 -0.138 28 HE22 GLN 38 HE22 GLN 38 -27.219 -0.938 0.327 29 H VAL 39 HN VAL 39 -20.847 -0.850 3.257 30 HA VAL 39 HA VAL 39 -20.105 1.352 4.886 31 HB VAL 39 HB VAL 39 -18.004 0.108 5.380 32 HG11 VAL 39 HG11 VAL 39 -20.536 -1.507 5.611 33 HG12 VAL 39 HG12 VAL 39 -19.986 -0.261 6.729 34 HG13 VAL 39 HG13 VAL 39 -19.072 -1.759 6.560 35 HG21 VAL 39 HG21 VAL 39 -17.698 -1.031 3.224 36 HG22 VAL 39 HG22 VAL 39 -19.142 -1.997 3.525 37 HG23 VAL 39 HG23 VAL 39 -17.723 -2.189 4.554 38 H LYS 40 HN LYS 40 -18.865 2.995 4.539 39 HA LYS 40 HA LYS 40 -17.819 3.301 1.863 40 HB2 LYS 40 HB2 LYS 40 -19.129 5.216 2.529 41 HB3 LYS 40 HB1 LYS 40 -18.257 5.352 4.052 42 HG2 LYS 40 HG2 LYS 40 -16.222 5.990 2.866 43 HG3 LYS 40 HG1 LYS 40 -17.037 5.788 1.323 44 HD2 LYS 40 HD2 LYS 40 -18.376 7.686 1.670 45 HD3 LYS 40 HD1 LYS 40 -18.028 7.716 3.402 46 HE2 LYS 40 HE2 LYS 40 -16.833 9.472 2.083 47 HE3 LYS 40 HE1 LYS 40 -15.774 8.422 3.017 48 HZ1 LYS 40 HZ1 LYS 40 -16.306 8.140 0.097 49 HZ2 LYS 40 HZ2 LYS 40 -15.155 7.267 0.995 50 HZ3 LYS 40 HZ3 LYS 40 -14.982 8.911 0.771 51 H GLU 41 HN GLU 41 -16.249 1.785 2.246 52 HA GLU 41 HA GLU 41 -13.982 2.705 3.829 53 HB2 GLU 41 HB2 GLU 41 -14.274 0.326 2.009 54 HB3 GLU 41 HB1 GLU 41 -12.962 0.632 3.133 55 HG2 GLU 41 HG2 GLU 41 -15.817 0.101 3.881 56 HG3 GLU 41 HG1 GLU 41 -14.454 -1.029 3.844 57 H THR 42 HN THR 42 -12.478 3.781 2.792 58 HA THR 42 HA THR 42 -12.720 3.736 -0.100 59 HB THR 42 HB THR 42 -11.588 6.215 1.038 60 HG1 THR 42 HG1 THR 42 -13.553 5.641 2.298 61 HG21 THR 42 HG21 THR 42 -11.853 5.851 -1.364 62 HG22 THR 42 HG22 THR 42 -12.891 7.179 -0.842 63 HG23 THR 42 HG23 THR 42 -13.581 5.580 -1.134 64 H CYS 43 HN CYS 43 -10.800 3.798 -1.185 65 HA CYS 43 HA CYS 43 -8.733 2.486 0.248 66 HB2 CYS 43 HB2 CYS 43 -9.163 1.350 -1.587 67 HB3 CYS 43 HB1 CYS 43 -9.689 2.741 -2.470 68 H ALA 44 HN ALA 44 -6.580 3.172 0.298 69 HA ALA 44 HA ALA 44 -6.188 6.036 -0.183 70 HB1 ALA 44 HB1 ALA 44 -5.832 5.260 2.052 71 HB2 ALA 44 HB2 ALA 44 -4.357 5.907 1.326 72 HB3 ALA 44 HB3 ALA 44 -4.564 4.152 1.494 73 H ALA 45 HN ALA 45 -5.445 3.083 -1.613 74 HA ALA 45 HA ALA 45 -2.831 3.991 -2.520 75 HB1 ALA 45 HB1 ALA 45 -2.489 1.768 -3.349 76 HB2 ALA 45 HB2 ALA 45 -4.176 1.345 -3.020 77 HB3 ALA 45 HB3 ALA 45 -3.071 1.714 -1.683 78 H CYS 46 HN CYS 46 -6.017 3.477 -3.711 79 HA CYS 46 HA CYS 46 -5.218 4.861 -6.151 80 HB2 CYS 46 HB2 CYS 46 -5.919 2.972 -7.558 81 HB3 CYS 46 HB1 CYS 46 -5.671 2.390 -6.105 82 H GLN 47 HN GLN 47 -6.855 4.965 -3.452 83 HA GLN 47 HA GLN 47 -8.549 5.897 -2.561 84 HB2 GLN 47 HB2 GLN 47 -7.750 8.078 -4.454 85 HB3 GLN 47 HB1 GLN 47 -8.847 8.222 -3.057 86 HG2 GLN 47 HG2 GLN 47 -7.189 7.562 -1.529 87 HG3 GLN 47 HG1 GLN 47 -6.086 7.102 -2.811 88 HE21 GLN 47 HE21 GLN 47 -7.944 10.052 -2.884 89 HE22 GLN 47 HE22 GLN 47 -6.622 11.112 -2.603 90 H LYS 48 HN LYS 48 -9.629 4.134 -4.051 91 HA LYS 48 HA LYS 48 -12.139 5.334 -5.014 92 HB2 LYS 48 HB2 LYS 48 -10.848 2.707 -5.758 93 HB3 LYS 48 HB1 LYS 48 -12.389 3.293 -6.366 94 HG2 LYS 48 HG2 LYS 48 -9.681 4.563 -6.811 95 HG3 LYS 48 HG1 LYS 48 -10.573 3.604 -7.987 96 HD2 LYS 48 HD2 LYS 48 -11.623 6.153 -6.760 97 HD3 LYS 48 HD1 LYS 48 -10.719 6.116 -8.268 98 HE2 LYS 48 HE2 LYS 48 -13.277 4.583 -7.793 99 HE3 LYS 48 HE1 LYS 48 -13.200 6.155 -8.577 100 HZ1 LYS 48 HZ1 LYS 48 -13.234 4.371 -10.196 101 HZ2 LYS 48 HZ2 LYS 48 -11.853 3.687 -9.533 102 HZ3 LYS 48 HZ3 LYS 48 -11.771 5.193 -10.261 103 H THR 49 HN THR 49 -14.064 4.223 -4.312 104 HA THR 49 HA THR 49 -13.939 3.320 -1.688 105 HB THR 49 HB THR 49 -16.162 2.638 -3.507 106 HG1 THR 49 HG1 THR 49 -16.428 4.712 -3.927 107 HG21 THR 49 HG21 THR 49 -17.435 3.410 -1.451 108 HG22 THR 49 HG22 THR 49 -15.825 3.545 -0.680 109 HG23 THR 49 HG23 THR 49 -16.414 1.978 -1.249 110 H VAL 50 HN VAL 50 -13.716 1.404 -0.823 111 HA VAL 50 HA VAL 50 -13.004 -0.807 -2.578 112 HB VAL 50 HB VAL 50 -12.718 -1.232 0.357 113 HG11 VAL 50 HG11 VAL 50 -11.039 -1.702 -2.037 114 HG12 VAL 50 HG12 VAL 50 -11.965 -2.879 -1.095 115 HG13 VAL 50 HG13 VAL 50 -10.561 -2.057 -0.391 116 HG21 VAL 50 HG21 VAL 50 -12.087 1.133 0.213 117 HG22 VAL 50 HG22 VAL 50 -11.056 0.779 -1.160 118 HG23 VAL 50 HG23 VAL 50 -10.644 0.138 0.445 119 H TYR 51 HN TYR 51 -14.083 -2.745 -2.481 120 HA TYR 51 HA TYR 51 -16.588 -2.688 -0.977 121 HB2 TYR 51 HB2 TYR 51 -15.952 -4.213 -3.521 122 HB3 TYR 51 HB1 TYR 51 -17.545 -4.049 -2.777 123 HD1 TYR 51 HD1 TYR 51 -17.801 -1.307 -2.249 124 HD2 TYR 51 HD2 TYR 51 -15.910 -3.124 -5.555 125 HE1 TYR 51 HE1 TYR 51 -18.206 0.747 -3.581 126 HE2 TYR 51 HE2 TYR 51 -16.285 -1.106 -6.905 127 HH TYR 51 HH TYR 51 -17.850 0.810 -6.916 128 HA PRO 52 HA PRO 52 -15.464 -5.891 1.725 129 HB2 PRO 52 HB2 PRO 52 -17.406 -7.717 0.493 130 HB3 PRO 52 HB1 PRO 52 -17.176 -7.337 2.201 131 HG2 PRO 52 HG2 PRO 52 -19.205 -6.230 0.912 132 HG3 PRO 52 HG1 PRO 52 -18.231 -5.252 2.017 133 HD2 PRO 52 HD2 PRO 52 -18.247 -5.288 -0.966 134 HD3 PRO 52 HD1 PRO 52 -18.001 -3.926 0.146 135 H MET 53 HN MET 53 -15.780 -7.193 -1.544 136 HA MET 53 HA MET 53 -14.189 -9.522 -1.088 137 HB2 MET 53 HB2 MET 53 -15.777 -9.360 -2.889 138 HB3 MET 53 HB1 MET 53 -14.833 -8.072 -3.637 139 HG2 MET 53 HG2 MET 53 -12.963 -9.676 -3.847 140 HG3 MET 53 HG1 MET 53 -14.032 -10.941 -3.260 141 HE1 MET 53 HE1 MET 53 -13.744 -11.735 -7.115 142 HE2 MET 53 HE2 MET 53 -13.508 -12.361 -5.484 143 HE3 MET 53 HE3 MET 53 -12.485 -11.054 -6.084 144 H GLU 54 HN GLU 54 -13.401 -6.217 -2.074 145 HA GLU 54 HA GLU 54 -10.659 -7.043 -2.653 146 HB2 GLU 54 HB2 GLU 54 -12.096 -4.462 -3.197 147 HB3 GLU 54 HB1 GLU 54 -10.447 -4.814 -3.675 148 HG2 GLU 54 HG2 GLU 54 -11.361 -6.721 -5.014 149 HG3 GLU 54 HG1 GLU 54 -12.966 -6.106 -4.649 150 H ARG 55 HN ARG 55 -12.573 -5.528 -0.321 151 HA ARG 55 HA ARG 55 -10.727 -3.674 0.666 152 HB2 ARG 55 HB2 ARG 55 -12.859 -3.139 1.241 153 HB3 ARG 55 HB1 ARG 55 -13.301 -4.723 1.755 154 HG2 ARG 55 HG2 ARG 55 -11.558 -4.183 3.654 155 HG3 ARG 55 HG1 ARG 55 -11.822 -2.527 3.110 156 HD2 ARG 55 HD2 ARG 55 -14.274 -2.940 3.325 157 HD3 ARG 55 HD1 ARG 55 -13.872 -4.471 4.086 158 HE ARG 55 HE ARG 55 -13.177 -1.834 5.190 159 HH11 ARG 55 HH11 ARG 55 -13.800 -5.284 5.732 160 HH12 ARG 55 HH12 ARG 55 -14.015 -5.079 7.403 161 HH21 ARG 55 HH21 ARG 55 -13.461 -1.585 7.333 162 HH22 ARG 55 HH22 ARG 55 -13.781 -2.910 8.375 163 H LEU 56 HN LEU 56 -8.957 -4.133 1.167 164 HA LEU 56 HA LEU 56 -8.316 -6.119 3.193 165 HB2 LEU 56 HB2 LEU 56 -7.291 -6.672 1.095 166 HB3 LEU 56 HB1 LEU 56 -6.870 -5.013 0.789 167 HG LEU 56 HG LEU 56 -5.513 -6.462 3.055 168 HD11 LEU 56 HD11 LEU 56 -3.857 -7.216 1.475 169 HD12 LEU 56 HD12 LEU 56 -4.763 -6.507 0.154 170 HD13 LEU 56 HD13 LEU 56 -5.423 -7.911 1.025 171 HD21 LEU 56 HD21 LEU 56 -4.600 -4.391 1.054 172 HD22 LEU 56 HD22 LEU 56 -3.683 -4.982 2.442 173 HD23 LEU 56 HD23 LEU 56 -5.153 -4.041 2.689 174 H VAL 57 HN VAL 57 -6.590 -5.328 4.640 175 HA VAL 57 HA VAL 57 -6.310 -2.445 4.634 176 HB VAL 57 HB VAL 57 -7.954 -2.822 6.352 177 HG11 VAL 57 HG11 VAL 57 -7.590 -4.274 8.282 178 HG12 VAL 57 HG12 VAL 57 -6.100 -4.869 7.537 179 HG13 VAL 57 HG13 VAL 57 -7.660 -5.158 6.759 180 HG21 VAL 57 HG21 VAL 57 -6.788 -1.975 8.359 181 HG22 VAL 57 HG22 VAL 57 -6.297 -1.159 6.877 182 HG23 VAL 57 HG23 VAL 57 -5.245 -2.381 7.593 183 H ALA 58 HN ALA 58 -4.290 -1.911 4.420 184 HA ALA 58 HA ALA 58 -2.253 -3.744 5.547 185 HB1 ALA 58 HB1 ALA 58 -1.914 -1.557 3.408 186 HB2 ALA 58 HB2 ALA 58 -1.869 -3.288 3.100 187 HB3 ALA 58 HB3 ALA 58 -0.601 -2.541 4.028 188 H ASP 59 HN ASP 59 -0.930 -2.927 7.166 189 HA ASP 59 HA ASP 59 -0.735 -2.036 9.141 190 HB2 ASP 59 HB2 ASP 59 -0.498 0.539 9.185 191 HB3 ASP 59 HB1 ASP 59 0.896 -0.327 8.686 192 H LYS 60 HN LYS 60 -2.653 0.393 7.705 193 HA LYS 60 HA LYS 60 -4.970 -0.371 9.052 194 HB2 LYS 60 HB2 LYS 60 -3.643 0.855 10.869 195 HB3 LYS 60 HB1 LYS 60 -4.053 2.307 9.950 196 HG2 LYS 60 HG2 LYS 60 -6.417 1.837 10.207 197 HG3 LYS 60 HG1 LYS 60 -6.034 0.371 11.100 198 HD2 LYS 60 HD2 LYS 60 -6.581 2.069 12.700 199 HD3 LYS 60 HD1 LYS 60 -4.830 1.785 12.726 200 HE2 LYS 60 HE2 LYS 60 -4.422 3.764 11.419 201 HE3 LYS 60 HE1 LYS 60 -6.155 4.015 11.194 202 HZ1 LYS 60 HZ1 LYS 60 -4.709 4.148 13.773 203 HZ2 LYS 60 HZ2 LYS 60 -6.369 4.388 13.542 204 HZ3 LYS 60 HZ3 LYS 60 -5.269 5.462 12.868 205 H LEU 61 HN LEU 61 -3.780 0.636 6.449 206 HA LEU 61 HA LEU 61 -5.716 2.683 5.713 207 HB2 LEU 61 HB2 LEU 61 -3.583 1.314 4.149 208 HB3 LEU 61 HB1 LEU 61 -4.571 2.638 3.569 209 HG LEU 61 HG LEU 61 -2.504 2.802 5.766 210 HD11 LEU 61 HD11 LEU 61 -1.554 2.528 3.534 211 HD12 LEU 61 HD12 LEU 61 -1.251 4.150 4.159 212 HD13 LEU 61 HD13 LEU 61 -2.513 3.888 2.959 213 HD21 LEU 61 HD21 LEU 61 -4.354 4.344 6.160 214 HD22 LEU 61 HD22 LEU 61 -4.228 4.936 4.507 215 HD23 LEU 61 HD23 LEU 61 -2.914 5.228 5.649 216 H ILE 62 HN ILE 62 -7.500 2.150 4.557 217 HA ILE 62 HA ILE 62 -7.900 -0.714 4.207 218 HB ILE 62 HB ILE 62 -10.005 1.447 3.900 219 HG12 ILE 62 HG12 ILE 62 -9.001 1.592 6.168 220 HG13 ILE 62 HG11 ILE 62 -10.697 1.130 6.197 221 HG21 ILE 62 HG21 ILE 62 -10.478 -0.751 2.994 222 HG22 ILE 62 HG22 ILE 62 -11.501 -0.408 4.422 223 HG23 ILE 62 HG23 ILE 62 -10.075 -1.448 4.571 224 HD11 ILE 62 HD11 ILE 62 -9.402 -0.125 7.832 225 HD12 ILE 62 HD12 ILE 62 -8.331 -0.696 6.550 226 HD13 ILE 62 HD13 ILE 62 -10.019 -1.200 6.575 227 H PHE 63 HN PHE 63 -7.680 -1.457 2.215 228 HA PHE 63 HA PHE 63 -8.685 -0.090 0.015 229 HB2 PHE 63 HB2 PHE 63 -6.568 0.234 -1.325 230 HB3 PHE 63 HB1 PHE 63 -6.885 1.264 0.063 231 HD1 PHE 63 HD2 PHE 63 -5.309 -2.125 0.361 232 HD2 PHE 63 HD1 PHE 63 -4.924 2.109 0.441 233 HE1 PHE 63 HE2 PHE 63 -3.083 -2.316 1.331 234 HE2 PHE 63 HE1 PHE 63 -2.730 1.896 1.379 235 HZ PHE 63 HZ PHE 63 -1.771 -0.253 1.837 236 H HIS 64 HN HIS 64 -8.221 -0.974 -2.079 237 HA HIS 64 HA HIS 64 -8.860 -3.690 -2.234 238 HB2 HIS 64 HB2 HIS 64 -7.544 -1.948 -4.335 239 HB3 HIS 64 HB1 HIS 64 -8.547 -3.370 -4.619 240 HD2 HIS 64 HD2 HIS 64 -11.222 -2.842 -4.657 241 HE1 HIS 64 HE1 HIS 64 -10.850 1.348 -4.133 242 HE2 HIS 64 HE2 HIS 64 -12.397 -0.531 -4.896 243 H ASN 65 HN ASN 65 -7.517 -5.423 -2.411 244 HA ASN 65 HA ASN 65 -4.922 -5.280 -1.567 245 HB2 ASN 65 HB2 ASN 65 -4.822 -7.669 -2.227 246 HB3 ASN 65 HB1 ASN 65 -6.122 -7.257 -1.132 247 HD21 ASN 65 HD21 ASN 65 -7.199 -9.110 -1.641 248 HD22 ASN 65 HD22 ASN 65 -8.047 -9.351 -3.121 249 H SER 66 HN SER 66 -6.195 -5.425 -4.785 250 HA SER 66 HA SER 66 -3.749 -6.000 -6.068 251 HB2 SER 66 HB2 SER 66 -5.145 -5.439 -8.030 252 HB3 SER 66 HB1 SER 66 -5.592 -6.840 -7.055 253 HG SER 66 HG SER 66 -7.460 -5.941 -6.901 254 H CYS 67 HN CYS 67 -4.665 -2.973 -4.791 255 HA CYS 67 HA CYS 67 -3.751 -1.730 -7.267 256 HB2 CYS 67 HB2 CYS 67 -4.701 0.411 -6.322 257 HB3 CYS 67 HB1 CYS 67 -5.828 -0.850 -6.851 258 H PHE 68 HN PHE 68 -2.574 -2.108 -4.064 259 HA PHE 68 HA PHE 68 -1.048 0.281 -4.435 260 HB2 PHE 68 HB2 PHE 68 0.088 -0.365 -2.287 261 HB3 PHE 68 HB1 PHE 68 -1.600 0.182 -2.128 262 HD1 PHE 68 HD2 PHE 68 -3.050 -2.322 -2.363 263 HD2 PHE 68 HD1 PHE 68 0.807 -1.595 -0.768 264 HE1 PHE 68 HE2 PHE 68 -3.296 -4.293 -0.865 265 HE2 PHE 68 HE1 PHE 68 0.570 -3.540 0.729 266 HZ PHE 68 HZ PHE 68 -1.442 -4.886 0.678 267 H CYS 69 HN CYS 69 0.268 0.144 -5.925 268 HA CYS 69 HA CYS 69 2.389 -1.847 -5.770 269 HB2 CYS 69 HB2 CYS 69 1.637 -0.141 -8.180 270 HB3 CYS 69 HB1 CYS 69 2.792 -1.430 -8.078 271 HG CYS 69 HG CYS 69 -0.451 -2.120 -7.375 272 H CYS 70 HN CYS 70 4.506 -0.845 -6.564 273 HA CYS 70 HA CYS 70 5.105 1.389 -4.927 274 HB2 CYS 70 HB2 CYS 70 6.815 -0.131 -5.277 275 HB3 CYS 70 HB1 CYS 70 6.687 -0.056 -7.039 276 H LYS 71 HN LYS 71 5.352 3.345 -5.316 277 HA LYS 71 HA LYS 71 3.860 4.566 -7.391 278 HB2 LYS 71 HB2 LYS 71 4.165 5.378 -5.012 279 HB3 LYS 71 HB1 LYS 71 5.757 5.892 -5.533 280 HG2 LYS 71 HG2 LYS 71 4.542 7.896 -5.726 281 HG3 LYS 71 HG1 LYS 71 4.465 7.230 -7.337 282 HD2 LYS 71 HD2 LYS 71 2.311 6.709 -5.329 283 HD3 LYS 71 HD1 LYS 71 2.333 8.188 -6.288 284 HE2 LYS 71 HE2 LYS 71 2.495 6.767 -8.256 285 HE3 LYS 71 HE1 LYS 71 2.167 5.349 -7.248 286 HZ1 LYS 71 HZ1 LYS 71 0.356 7.680 -7.565 287 HZ2 LYS 71 HZ2 LYS 71 0.050 6.380 -6.560 288 HZ3 LYS 71 HZ3 LYS 71 0.108 6.168 -8.231 289 H HIS 72 HN HIS 72 7.271 3.999 -6.866 290 HA HIS 72 HA HIS 72 7.977 5.760 -9.057 291 HB2 HIS 72 HB2 HIS 72 9.405 5.561 -6.996 292 HB3 HIS 72 HB1 HIS 72 9.830 3.934 -7.507 293 HD2 HIS 72 HD2 HIS 72 11.479 3.865 -9.894 294 HE1 HIS 72 HE1 HIS 72 12.762 7.856 -9.321 295 HE2 HIS 72 HE2 HIS 72 13.327 5.652 -10.363 296 H CYS 73 HN CYS 73 7.821 2.252 -8.412 297 HA CYS 73 HA CYS 73 8.008 1.944 -11.273 298 HB2 CYS 73 HB2 CYS 73 9.386 -0.017 -11.080 299 HB3 CYS 73 HB1 CYS 73 10.028 1.247 -10.125 300 H HIS 74 HN HIS 74 6.225 0.600 -12.014 301 HA HIS 74 HA HIS 74 4.349 0.016 -9.870 302 HB2 HIS 74 HB2 HIS 74 2.631 -0.441 -11.565 303 HB3 HIS 74 HB1 HIS 74 3.335 1.153 -11.726 304 HD1 HIS 74 HD1 HIS 74 4.703 1.601 -13.907 305 HD2 HIS 74 HD2 HIS 74 2.935 -2.147 -13.754 306 HE1 HIS 74 HE1 HIS 74 4.759 0.743 -16.248 307 HE2 HIS 74 HE2 HIS 74 3.464 -1.387 -16.170 308 H THR 75 HN THR 75 5.898 -1.467 -9.114 309 HA THR 75 HA THR 75 5.513 -4.147 -10.139 310 HB THR 75 HB THR 75 7.781 -3.453 -9.398 311 HG1 THR 75 HG1 THR 75 8.041 -5.318 -7.842 312 HG21 THR 75 HG21 THR 75 8.298 -3.300 -6.971 313 HG22 THR 75 HG22 THR 75 6.568 -3.354 -6.627 314 HG23 THR 75 HG23 THR 75 7.245 -2.001 -7.531 315 H LYS 76 HN LYS 76 4.202 -5.578 -9.230 316 HA LYS 76 HA LYS 76 2.170 -4.676 -7.445 317 HB2 LYS 76 HB2 LYS 76 1.965 -6.341 -9.414 318 HB3 LYS 76 HB1 LYS 76 2.718 -7.497 -8.339 319 HG2 LYS 76 HG2 LYS 76 0.163 -6.113 -7.570 320 HG3 LYS 76 HG1 LYS 76 0.151 -7.533 -8.601 321 HD2 LYS 76 HD2 LYS 76 1.347 -7.394 -5.833 322 HD3 LYS 76 HD1 LYS 76 -0.249 -8.044 -6.203 323 HE2 LYS 76 HE2 LYS 76 2.419 -9.133 -7.159 324 HE3 LYS 76 HE1 LYS 76 1.351 -9.857 -5.968 325 HZ1 LYS 76 HZ1 LYS 76 0.733 -9.513 -8.861 326 HZ2 LYS 76 HZ2 LYS 76 -0.334 -10.093 -7.716 327 HZ3 LYS 76 HZ3 LYS 76 1.056 -10.961 -8.063 328 H LEU 77 HN LEU 77 3.324 -4.129 -5.682 329 HA LEU 77 HA LEU 77 4.729 -6.165 -4.187 330 HB2 LEU 77 HB2 LEU 77 5.638 -4.282 -2.858 331 HB3 LEU 77 HB1 LEU 77 5.773 -4.108 -4.606 332 HG LEU 77 HG LEU 77 4.009 -2.490 -4.729 333 HD11 LEU 77 HD11 LEU 77 2.760 -3.087 -2.594 334 HD12 LEU 77 HD12 LEU 77 3.128 -1.361 -2.820 335 HD13 LEU 77 HD13 LEU 77 4.141 -2.344 -1.768 336 HD21 LEU 77 HD21 LEU 77 6.103 -1.820 -2.759 337 HD22 LEU 77 HD22 LEU 77 5.253 -0.704 -3.835 338 HD23 LEU 77 HD23 LEU 77 6.337 -1.942 -4.495 339 H SER 78 HN SER 78 1.724 -5.285 -4.532 340 HA SER 78 HA SER 78 0.566 -4.676 -2.157 341 HB2 SER 78 HB2 SER 78 -0.491 -6.615 -4.061 342 HB3 SER 78 HB1 SER 78 -1.337 -5.281 -3.265 343 HG SER 78 HG SER 78 0.031 -3.847 -4.511 344 H LEU 79 HN LEU 79 0.122 -5.763 -0.425 345 HA LEU 79 HA LEU 79 0.498 -7.247 1.256 346 HB2 LEU 79 HB2 LEU 79 -1.820 -7.381 -0.023 347 HB3 LEU 79 HB1 LEU 79 -1.316 -9.062 -0.096 348 HG LEU 79 HG LEU 79 -2.772 -8.673 1.866 349 HD11 LEU 79 HD11 LEU 79 -1.114 -10.379 1.933 350 HD12 LEU 79 HD12 LEU 79 -1.342 -9.643 3.540 351 HD13 LEU 79 HD13 LEU 79 0.061 -9.207 2.540 352 HD21 LEU 79 HD21 LEU 79 -2.061 -7.261 3.699 353 HD22 LEU 79 HD22 LEU 79 -2.080 -6.266 2.238 354 HD23 LEU 79 HD23 LEU 79 -0.565 -6.886 2.868 355 H GLY 80 HN GLY 80 2.558 -7.954 1.194 356 HA2 GLY 80 HA2 GLY 80 3.074 -10.631 1.263 357 HA3 GLY 80 HA1 GLY 80 3.457 -10.133 -0.392 358 H SER 81 HN SER 81 4.695 -8.126 -0.537 359 HA SER 81 HA SER 81 6.338 -7.502 1.733 360 HB2 SER 81 HB2 SER 81 8.424 -7.677 0.254 361 HB3 SER 81 HB1 SER 81 7.686 -9.197 0.766 362 HG SER 81 HG SER 81 7.310 -9.683 -1.188 363 H TYR 82 HN TYR 82 5.871 -5.383 1.902 364 HA TYR 82 HA TYR 82 6.110 -3.720 -0.452 365 HB2 TYR 82 HB2 TYR 82 3.945 -2.647 0.035 366 HB3 TYR 82 HB1 TYR 82 3.733 -4.340 -0.360 367 HD1 TYR 82 HD1 TYR 82 4.067 -2.050 2.532 368 HD2 TYR 82 HD2 TYR 82 2.285 -5.614 1.054 369 HE1 TYR 82 HE1 TYR 82 2.687 -2.194 4.560 370 HE2 TYR 82 HE2 TYR 82 0.935 -5.774 3.068 371 HH TYR 82 HH TYR 82 0.627 -3.176 5.227 372 H ALA 83 HN ALA 83 6.062 -1.465 0.164 373 HA ALA 83 HA ALA 83 6.557 -0.970 2.970 374 HB1 ALA 83 HB1 ALA 83 8.736 -1.033 1.879 375 HB2 ALA 83 HB2 ALA 83 8.325 0.620 2.337 376 HB3 ALA 83 HB3 ALA 83 8.172 0.105 0.655 377 H ALA 84 HN ALA 84 5.428 0.828 3.621 378 HA ALA 84 HA ALA 84 4.208 2.387 1.470 379 HB1 ALA 84 HB1 ALA 84 2.103 2.437 2.696 380 HB2 ALA 84 HB2 ALA 84 2.785 1.351 3.917 381 HB3 ALA 84 HB3 ALA 84 2.567 0.795 2.259 382 H LEU 85 HN LEU 85 4.177 4.566 1.775 383 HA LEU 85 HA LEU 85 4.856 5.529 4.422 384 HB2 LEU 85 HB2 LEU 85 6.808 5.659 3.013 385 HB3 LEU 85 HB1 LEU 85 5.954 6.542 1.763 386 HG LEU 85 HG LEU 85 5.531 8.223 3.687 387 HD11 LEU 85 HD11 LEU 85 6.318 6.797 5.455 388 HD12 LEU 85 HD12 LEU 85 7.198 8.324 5.339 389 HD13 LEU 85 HD13 LEU 85 7.937 6.826 4.715 390 HD21 LEU 85 HD21 LEU 85 8.279 7.945 2.493 391 HD22 LEU 85 HD22 LEU 85 7.629 9.375 3.298 392 HD23 LEU 85 HD23 LEU 85 6.903 8.809 1.790 393 H HIS 86 HN HIS 86 3.878 7.503 4.834 394 HA HIS 86 HA HIS 86 1.415 8.139 3.843 395 HB2 HIS 86 HB2 HIS 86 1.965 10.549 4.602 396 HB3 HIS 86 HB1 HIS 86 2.039 9.279 5.810 397 HD1 HIS 86 HD1 HIS 86 3.998 9.544 7.314 398 HD2 HIS 86 HD2 HIS 86 4.881 10.960 3.508 399 HE1 HIS 86 HE1 HIS 86 6.363 10.353 7.402 400 HE2 HIS 86 HE2 HIS 86 6.897 11.142 5.123 401 H GLY 87 HN GLY 87 0.751 8.591 1.892 402 HA2 GLY 87 HA2 GLY 87 0.599 10.107 0.095 403 HA3 GLY 87 HA1 GLY 87 2.320 10.425 0.262 404 H GLU 88 HN GLU 88 3.269 7.688 0.309 405 HA GLU 88 HA GLU 88 2.512 6.828 -2.369 406 HB2 GLU 88 HB2 GLU 88 5.417 7.343 -1.641 407 HB3 GLU 88 HB1 GLU 88 4.750 6.770 -3.166 408 HG2 GLU 88 HG2 GLU 88 3.658 8.805 -3.601 409 HG3 GLU 88 HG1 GLU 88 4.080 9.429 -2.019 410 H PHE 89 HN PHE 89 2.736 4.611 -2.706 411 HA PHE 89 HA PHE 89 3.779 3.025 -0.509 412 HB2 PHE 89 HB2 PHE 89 2.156 2.167 -2.980 413 HB3 PHE 89 HB1 PHE 89 2.643 1.159 -1.632 414 HD1 PHE 89 HD2 PHE 89 0.585 4.129 -2.470 415 HD2 PHE 89 HD1 PHE 89 1.323 0.991 0.343 416 HE1 PHE 89 HE2 PHE 89 -1.377 4.805 -1.188 417 HE2 PHE 89 HE1 PHE 89 -0.612 1.658 1.601 418 HZ PHE 89 HZ PHE 89 -1.986 3.606 0.841 419 H TYR 90 HN TYR 90 5.617 1.823 -0.903 420 HA TYR 90 HA TYR 90 6.906 2.446 -3.466 421 HB2 TYR 90 HB2 TYR 90 7.180 3.738 -1.111 422 HB3 TYR 90 HB1 TYR 90 8.668 2.778 -1.098 423 HD1 TYR 90 HD1 TYR 90 6.410 5.062 -2.958 424 HD2 TYR 90 HD2 TYR 90 10.448 3.849 -2.409 425 HE1 TYR 90 HE1 TYR 90 7.134 6.927 -4.317 426 HE2 TYR 90 HE2 TYR 90 11.190 5.730 -3.773 427 HH TYR 90 HH TYR 90 9.191 8.296 -4.527 428 H CYS 91 HN CYS 91 8.494 0.856 -3.958 429 HA CYS 91 HA CYS 91 8.025 -1.597 -2.553 430 HB2 CYS 91 HB2 CYS 91 9.573 -2.645 -4.133 431 HB3 CYS 91 HB1 CYS 91 8.439 -1.665 -5.021 432 H LYS 92 HN LYS 92 9.643 -2.693 -1.229 433 HA LYS 92 HA LYS 92 11.040 -1.172 0.446 434 HB2 LYS 92 HB2 LYS 92 11.658 -3.986 -0.440 435 HB3 LYS 92 HB1 LYS 92 12.271 -3.240 1.028 436 HG2 LYS 92 HG2 LYS 92 10.003 -3.017 1.881 437 HG3 LYS 92 HG1 LYS 92 9.349 -3.704 0.396 438 HD2 LYS 92 HD2 LYS 92 10.516 -5.785 0.824 439 HD3 LYS 92 HD1 LYS 92 11.245 -5.090 2.269 440 HE2 LYS 92 HE2 LYS 92 8.308 -5.612 1.796 441 HE3 LYS 92 HE1 LYS 92 9.377 -6.527 2.849 442 HZ1 LYS 92 HZ1 LYS 92 9.669 -4.291 4.097 443 HZ2 LYS 92 HZ2 LYS 92 8.269 -5.151 4.282 444 HZ3 LYS 92 HZ3 LYS 92 8.250 -3.810 3.292 445 HA PRO 93 HA PRO 93 15.191 -1.606 -2.240 446 HB2 PRO 93 HB2 PRO 93 13.926 -1.478 -4.928 447 HB3 PRO 93 HB1 PRO 93 15.385 -2.337 -4.421 448 HG2 PRO 93 HG2 PRO 93 13.139 -3.688 -4.887 449 HG3 PRO 93 HG1 PRO 93 14.174 -4.120 -3.522 450 HD2 PRO 93 HD2 PRO 93 11.622 -2.632 -3.560 451 HD3 PRO 93 HD1 PRO 93 12.215 -3.830 -2.392 452 H HIS 94 HN HIS 94 12.434 0.008 -3.888 453 HA HIS 94 HA HIS 94 13.925 2.408 -4.312 454 HB2 HIS 94 HB2 HIS 94 10.995 1.814 -4.666 455 HB3 HIS 94 HB1 HIS 94 11.594 3.468 -4.746 456 HD2 HIS 94 HD2 HIS 94 14.335 2.581 -6.348 457 HE1 HIS 94 HE1 HIS 94 11.511 1.602 -9.356 458 HE2 HIS 94 HE2 HIS 94 13.954 1.631 -8.753 459 H PHE 95 HN PHE 95 11.837 1.364 -1.812 460 HA PHE 95 HA PHE 95 11.420 3.801 -0.463 461 HB2 PHE 95 HB2 PHE 95 10.365 1.464 -0.151 462 HB3 PHE 95 HB1 PHE 95 11.800 1.089 0.776 463 HD1 PHE 95 HD2 PHE 95 9.645 4.117 0.712 464 HD2 PHE 95 HD1 PHE 95 11.131 0.835 2.948 465 HE1 PHE 95 HE2 PHE 95 8.488 4.952 2.680 466 HE2 PHE 95 HE1 PHE 95 9.957 1.647 4.940 467 HZ PHE 95 HZ PHE 95 8.617 3.718 4.814 468 H GLN 96 HN GLN 96 13.904 1.292 -0.197 469 HA GLN 96 HA GLN 96 15.460 2.637 1.736 470 HB2 GLN 96 HB2 GLN 96 16.204 0.431 -0.164 471 HB3 GLN 96 HB1 GLN 96 17.242 1.014 1.132 472 HG2 GLN 96 HG2 GLN 96 15.529 0.363 2.771 473 HG3 GLN 96 HG1 GLN 96 14.522 -0.236 1.458 474 HE21 GLN 96 HE21 GLN 96 17.990 -0.592 1.556 475 HE22 GLN 96 HE22 GLN 96 17.994 -2.292 1.753 476 H GLN 97 HN GLN 97 15.764 2.539 -1.841 477 HA GLN 97 HA GLN 97 18.176 4.006 -1.851 478 HB2 GLN 97 HB2 GLN 97 16.109 3.413 -3.946 479 HB3 GLN 97 HB1 GLN 97 17.633 4.210 -4.264 480 HG2 GLN 97 HG2 GLN 97 18.844 2.227 -3.560 481 HG3 GLN 97 HG1 GLN 97 17.331 1.438 -3.121 482 HE21 GLN 97 HE21 GLN 97 19.392 0.631 -5.016 483 HE22 GLN 97 HE22 GLN 97 18.622 0.444 -6.536 484 H LEU 98 HN LEU 98 14.836 4.913 -2.676 485 HA LEU 98 HA LEU 98 15.548 7.613 -3.223 486 HB2 LEU 98 HB2 LEU 98 13.022 6.099 -3.265 487 HB3 LEU 98 HB1 LEU 98 13.079 7.822 -3.608 488 HG LEU 98 HG LEU 98 14.792 5.872 -5.140 489 HD11 LEU 98 HD11 LEU 98 11.997 6.755 -5.704 490 HD12 LEU 98 HD12 LEU 98 12.539 5.122 -5.288 491 HD13 LEU 98 HD13 LEU 98 13.039 5.858 -6.819 492 HD21 LEU 98 HD21 LEU 98 15.375 8.213 -5.397 493 HD22 LEU 98 HD22 LEU 98 13.683 8.609 -5.680 494 HD23 LEU 98 HD23 LEU 98 14.554 7.659 -6.872 495 H PHE 99 HN PHE 99 13.662 6.001 -0.657 496 HA PHE 99 HA PHE 99 13.268 8.628 0.585 497 HB2 PHE 99 HB2 PHE 99 12.002 5.974 0.883 498 HB3 PHE 99 HB1 PHE 99 11.768 7.141 2.191 499 HD1 PHE 99 HD1 PHE 99 11.915 8.963 -0.796 500 HD2 PHE 99 HD2 PHE 99 9.381 6.166 1.217 501 HE1 PHE 99 HE1 PHE 99 9.992 9.710 -2.117 502 HE2 PHE 99 HE2 PHE 99 7.495 6.934 -0.128 503 HZ PHE 99 HZ PHE 99 7.822 8.724 -1.801 504 H LYS 100 HN LYS 100 15.223 5.946 0.782 505 HA LYS 100 HA LYS 100 16.718 5.085 2.117 506 HB2 LYS 100 HB2 LYS 100 17.676 7.401 1.909 507 HB3 LYS 100 HB1 LYS 100 16.894 7.816 3.429 508 HG2 LYS 100 HG2 LYS 100 18.183 6.086 4.570 509 HG3 LYS 100 HG1 LYS 100 18.972 5.661 3.059 510 HD2 LYS 100 HD2 LYS 100 19.168 8.335 4.457 511 HD3 LYS 100 HD1 LYS 100 20.409 7.086 4.452 512 HE2 LYS 100 HE2 LYS 100 20.499 7.264 1.974 513 HE3 LYS 100 HE1 LYS 100 19.365 8.607 2.075 514 HZ1 LYS 100 HZ1 LYS 100 21.628 9.394 1.914 515 HZ2 LYS 100 HZ2 LYS 100 22.062 8.510 3.276 516 HZ3 LYS 100 HZ3 LYS 100 20.988 9.806 3.419 517 H SER 101 HN SER 101 14.419 4.281 2.764 518 HA SER 101 HA SER 101 14.283 4.584 5.655 519 HB2 SER 101 HB2 SER 101 12.282 5.361 4.304 520 HB3 SER 101 HB1 SER 101 12.029 3.677 3.866 521 HG SER 101 HG SER 101 12.057 4.788 6.454 522 H LYS 102 HN LYS 102 12.539 2.282 5.954 523 HA LYS 102 HA LYS 102 14.680 0.560 6.500 524 HB2 LYS 102 HB2 LYS 102 13.143 -0.946 7.591 525 HB3 LYS 102 HB1 LYS 102 12.934 0.718 8.104 526 HG2 LYS 102 HG2 LYS 102 10.957 0.898 6.662 527 HG3 LYS 102 HG1 LYS 102 11.158 -0.789 6.191 528 HD2 LYS 102 HD2 LYS 102 10.659 0.229 8.991 529 HD3 LYS 102 HD1 LYS 102 9.464 -0.541 7.951 530 HE2 LYS 102 HE2 LYS 102 10.807 -2.606 7.947 531 HE3 LYS 102 HE1 LYS 102 11.993 -1.834 9.000 532 HZ1 LYS 102 HZ1 LYS 102 9.156 -2.336 9.685 533 HZ2 LYS 102 HZ2 LYS 102 10.292 -1.617 10.700 534 HZ3 LYS 102 HZ3 LYS 102 10.468 -3.222 10.257 535 H GLY 103 HN GLY 103 11.959 -0.131 4.057 536 HA2 GLY 103 HA2 GLY 103 12.029 -1.630 2.457 537 HA3 GLY 103 HA1 GLY 103 13.738 -1.912 2.811 538 H ASN 104 HN ASN 104 14.333 -3.475 4.165 539 HA ASN 104 HA ASN 104 12.862 -4.843 6.093 540 HB2 ASN 104 HB2 ASN 104 11.443 -5.625 4.204 541 HB3 ASN 104 HB1 ASN 104 12.861 -6.360 3.459 542 HD21 ASN 104 HD21 ASN 104 11.917 -6.355 6.888 543 HD22 ASN 104 HD22 ASN 104 11.711 -8.059 6.990 544 H TYR 105 HN TYR 105 15.199 -5.107 3.494 545 HA TYR 105 HA TYR 105 16.776 -6.921 5.143 546 HB2 TYR 105 HB2 TYR 105 17.877 -7.646 3.087 547 HB3 TYR 105 HB1 TYR 105 16.139 -7.837 2.958 548 HD1 TYR 105 HD2 TYR 105 14.921 -5.741 1.765 549 HD2 TYR 105 HD1 TYR 105 19.023 -6.779 1.300 550 HE1 TYR 105 HE2 TYR 105 14.983 -4.531 -0.371 551 HE2 TYR 105 HE1 TYR 105 19.084 -5.572 -0.836 552 HH TYR 105 HH TYR 105 16.912 -3.374 -1.755 553 H ASP 106 HN ASP 106 19.193 -6.678 4.583 554 HA ASP 106 HA ASP 106 19.919 -3.824 4.655 555 HB2 ASP 106 HB2 ASP 106 20.014 -4.687 6.919 556 HB3 ASP 106 HB1 ASP 106 20.965 -6.066 6.385 557 H GLU 107 HN GLU 107 20.834 -3.630 2.668 558 HA GLU 107 HA GLU 107 23.323 -5.009 2.282 559 HB2 GLU 107 HB2 GLU 107 21.620 -6.418 1.109 560 HB3 GLU 107 HB1 GLU 107 21.124 -5.014 0.183 561 HG2 GLU 107 HG2 GLU 107 23.387 -4.915 -0.808 562 HG3 GLU 107 HG1 GLU 107 23.804 -6.381 0.073 Start of MODEL 3 1 H1 ARG 36 HT1 ARG 36 -21.018 -0.141 10.800 2 H2 ARG 36 HT2 ARG 36 -22.585 0.466 10.874 3 H3 ARG 36 HT3 ARG 36 -21.309 1.375 11.488 4 HA ARG 36 HA ARG 36 -22.031 2.240 9.363 5 HB2 ARG 36 HB2 ARG 36 -19.579 2.264 10.018 6 HB3 ARG 36 HB1 ARG 36 -19.394 0.781 9.099 7 HG2 ARG 36 HG2 ARG 36 -18.666 2.354 7.590 8 HG3 ARG 36 HG1 ARG 36 -20.359 2.190 7.140 9 HD2 ARG 36 HD2 ARG 36 -19.176 4.367 8.872 10 HD3 ARG 36 HD1 ARG 36 -19.635 4.536 7.189 11 HE ARG 36 HE ARG 36 -21.561 4.072 9.399 12 HH11 ARG 36 HH11 ARG 36 -20.827 5.534 6.225 13 HH12 ARG 36 HH12 ARG 36 -22.159 6.565 6.266 14 HH21 ARG 36 HH21 ARG 36 -23.393 5.510 9.380 15 HH22 ARG 36 HH22 ARG 36 -23.641 6.566 8.066 16 H ALA 37 HN ALA 37 -23.467 1.486 7.929 17 HA ALA 37 HA ALA 37 -23.126 -1.218 6.893 18 HB1 ALA 37 HB1 ALA 37 -25.318 -0.579 7.754 19 HB2 ALA 37 HB2 ALA 37 -25.383 -0.961 6.031 20 HB3 ALA 37 HB3 ALA 37 -25.407 0.717 6.562 21 H GLN 38 HN GLN 38 -23.414 2.112 5.809 22 HA GLN 38 HA GLN 38 -23.035 1.362 3.074 23 HB2 GLN 38 HB2 GLN 38 -23.174 4.071 4.391 24 HB3 GLN 38 HB1 GLN 38 -23.004 3.823 2.659 25 HG2 GLN 38 HG2 GLN 38 -25.321 2.965 4.377 26 HG3 GLN 38 HG1 GLN 38 -25.295 4.275 3.196 27 HE21 GLN 38 HE21 GLN 38 -25.219 3.762 1.005 28 HE22 GLN 38 HE22 GLN 38 -25.693 2.211 0.426 29 H VAL 39 HN VAL 39 -21.157 0.448 2.850 30 HA VAL 39 HA VAL 39 -18.748 1.474 3.893 31 HB VAL 39 HB VAL 39 -18.920 -0.908 3.449 32 HG11 VAL 39 HG11 VAL 39 -19.063 -1.859 1.196 33 HG12 VAL 39 HG12 VAL 39 -19.293 -0.237 0.539 34 HG13 VAL 39 HG13 VAL 39 -20.497 -0.925 1.626 35 HG21 VAL 39 HG21 VAL 39 -16.886 -1.309 2.103 36 HG22 VAL 39 HG22 VAL 39 -16.684 -0.010 3.273 37 HG23 VAL 39 HG23 VAL 39 -16.934 0.373 1.570 38 H LYS 40 HN LYS 40 -17.863 3.261 3.291 39 HA LYS 40 HA LYS 40 -17.632 3.871 0.455 40 HB2 LYS 40 HB2 LYS 40 -19.446 5.284 1.410 41 HB3 LYS 40 HB1 LYS 40 -18.330 5.864 2.634 42 HG2 LYS 40 HG2 LYS 40 -16.970 6.931 0.909 43 HG3 LYS 40 HG1 LYS 40 -18.067 6.328 -0.331 44 HD2 LYS 40 HD2 LYS 40 -19.884 7.632 0.592 45 HD3 LYS 40 HD1 LYS 40 -18.863 8.155 1.929 46 HE2 LYS 40 HE2 LYS 40 -19.066 9.888 0.206 47 HE3 LYS 40 HE1 LYS 40 -17.406 9.331 0.393 48 HZ1 LYS 40 HZ1 LYS 40 -17.645 8.011 -1.607 49 HZ2 LYS 40 HZ2 LYS 40 -18.109 9.606 -1.938 50 HZ3 LYS 40 HZ3 LYS 40 -19.269 8.437 -1.728 51 H GLU 41 HN GLU 41 -15.719 2.638 1.241 52 HA GLU 41 HA GLU 41 -13.737 4.259 2.649 53 HB2 GLU 41 HB2 GLU 41 -13.540 1.474 1.524 54 HB3 GLU 41 HB1 GLU 41 -12.387 2.258 2.581 55 HG2 GLU 41 HG2 GLU 41 -15.211 1.583 3.367 56 HG3 GLU 41 HG1 GLU 41 -13.772 0.568 3.571 57 H THR 42 HN THR 42 -12.069 5.098 1.503 58 HA THR 42 HA THR 42 -12.064 4.390 -1.323 59 HB THR 42 HB THR 42 -10.937 7.045 -0.569 60 HG1 THR 42 HG1 THR 42 -13.254 6.528 0.312 61 HG21 THR 42 HG21 THR 42 -12.615 6.027 -2.846 62 HG22 THR 42 HG22 THR 42 -10.851 6.187 -2.862 63 HG23 THR 42 HG23 THR 42 -11.872 7.628 -2.775 64 H CYS 43 HN CYS 43 -9.948 4.319 -2.236 65 HA CYS 43 HA CYS 43 -8.154 3.194 -0.320 66 HB2 CYS 43 HB2 CYS 43 -8.400 1.717 -1.913 67 HB3 CYS 43 HB1 CYS 43 -8.799 2.909 -3.113 68 H ALA 44 HN ALA 44 -5.992 3.725 -0.162 69 HA ALA 44 HA ALA 44 -5.310 6.416 -1.079 70 HB1 ALA 44 HB1 ALA 44 -5.255 5.968 1.287 71 HB2 ALA 44 HB2 ALA 44 -3.690 6.448 0.631 72 HB3 ALA 44 HB3 ALA 44 -3.997 4.744 1.027 73 H ALA 45 HN ALA 45 -4.656 3.203 -1.964 74 HA ALA 45 HA ALA 45 -1.889 3.789 -2.659 75 HB1 ALA 45 HB1 ALA 45 -2.430 1.701 -1.512 76 HB2 ALA 45 HB2 ALA 45 -1.677 1.426 -3.092 77 HB3 ALA 45 HB3 ALA 45 -3.418 1.198 -2.891 78 H CYS 46 HN CYS 46 -4.978 3.339 -4.052 79 HA CYS 46 HA CYS 46 -3.886 4.145 -6.603 80 HB2 CYS 46 HB2 CYS 46 -4.417 2.033 -7.694 81 HB3 CYS 46 HB1 CYS 46 -4.342 1.729 -6.139 82 H GLN 47 HN GLN 47 -5.853 4.902 -4.190 83 HA GLN 47 HA GLN 47 -7.629 6.091 -3.807 84 HB2 GLN 47 HB2 GLN 47 -6.476 7.607 -6.127 85 HB3 GLN 47 HB1 GLN 47 -7.735 8.151 -4.986 86 HG2 GLN 47 HG2 GLN 47 -6.304 8.176 -3.169 87 HG3 GLN 47 HG1 GLN 47 -5.127 7.136 -3.960 88 HE21 GLN 47 HE21 GLN 47 -6.491 9.838 -5.654 89 HE22 GLN 47 HE22 GLN 47 -5.083 10.830 -5.599 90 H LYS 48 HN LYS 48 -8.564 3.979 -4.960 91 HA LYS 48 HA LYS 48 -10.873 4.882 -6.537 92 HB2 LYS 48 HB2 LYS 48 -9.574 2.151 -6.378 93 HB3 LYS 48 HB1 LYS 48 -11.009 2.540 -7.310 94 HG2 LYS 48 HG2 LYS 48 -8.230 3.620 -7.754 95 HG3 LYS 48 HG1 LYS 48 -9.009 2.350 -8.690 96 HD2 LYS 48 HD2 LYS 48 -9.994 5.174 -8.422 97 HD3 LYS 48 HD1 LYS 48 -9.038 4.592 -9.786 98 HE2 LYS 48 HE2 LYS 48 -10.809 2.969 -10.320 99 HE3 LYS 48 HE1 LYS 48 -11.776 3.571 -8.977 100 HZ1 LYS 48 HZ1 LYS 48 -12.474 4.487 -11.093 101 HZ2 LYS 48 HZ2 LYS 48 -10.946 5.162 -11.349 102 HZ3 LYS 48 HZ3 LYS 48 -11.913 5.710 -10.079 103 H THR 49 HN THR 49 -12.866 3.997 -5.773 104 HA THR 49 HA THR 49 -13.026 3.755 -2.994 105 HB THR 49 HB THR 49 -15.086 2.805 -4.893 106 HG1 THR 49 HG1 THR 49 -14.929 4.774 -5.757 107 HG21 THR 49 HG21 THR 49 -15.042 4.192 -2.251 108 HG22 THR 49 HG22 THR 49 -15.646 2.542 -2.584 109 HG23 THR 49 HG23 THR 49 -16.546 3.955 -3.153 110 H VAL 50 HN VAL 50 -13.017 2.041 -1.701 111 HA VAL 50 HA VAL 50 -12.218 -0.500 -2.906 112 HB VAL 50 HB VAL 50 -12.253 -0.342 0.068 113 HG11 VAL 50 HG11 VAL 50 -10.113 -1.438 -0.237 114 HG12 VAL 50 HG12 VAL 50 -10.369 -1.384 -1.978 115 HG13 VAL 50 HG13 VAL 50 -11.486 -2.280 -0.948 116 HG21 VAL 50 HG21 VAL 50 -10.116 0.920 0.118 117 HG22 VAL 50 HG22 VAL 50 -11.461 1.904 -0.461 118 HG23 VAL 50 HG23 VAL 50 -10.312 1.240 -1.616 119 H TYR 51 HN TYR 51 -13.340 -2.380 -2.477 120 HA TYR 51 HA TYR 51 -15.968 -1.968 -1.288 121 HB2 TYR 51 HB2 TYR 51 -15.104 -3.929 -3.425 122 HB3 TYR 51 HB1 TYR 51 -16.751 -3.757 -2.814 123 HD1 TYR 51 HD1 TYR 51 -17.071 -0.895 -2.774 124 HD2 TYR 51 HD2 TYR 51 -15.125 -3.303 -5.649 125 HE1 TYR 51 HE1 TYR 51 -17.549 0.805 -4.497 126 HE2 TYR 51 HE2 TYR 51 -15.575 -1.615 -7.380 127 HH TYR 51 HH TYR 51 -16.782 1.504 -6.600 128 HA PRO 52 HA PRO 52 -15.310 -4.507 2.131 129 HB2 PRO 52 HB2 PRO 52 -17.072 -6.596 1.058 130 HB3 PRO 52 HB1 PRO 52 -17.075 -5.863 2.665 131 HG2 PRO 52 HG2 PRO 52 -18.898 -5.093 0.894 132 HG3 PRO 52 HG1 PRO 52 -18.079 -3.888 1.903 133 HD2 PRO 52 HD2 PRO 52 -17.684 -4.529 -0.981 134 HD3 PRO 52 HD1 PRO 52 -17.562 -2.969 -0.146 135 H MET 53 HN MET 53 -15.229 -6.635 -0.741 136 HA MET 53 HA MET 53 -13.718 -8.659 0.606 137 HB2 MET 53 HB2 MET 53 -15.102 -9.178 -1.302 138 HB3 MET 53 HB1 MET 53 -14.066 -8.210 -2.353 139 HG2 MET 53 HG2 MET 53 -12.186 -9.715 -1.778 140 HG3 MET 53 HG1 MET 53 -13.303 -10.702 -0.858 141 HE1 MET 53 HE1 MET 53 -15.726 -12.118 -3.575 142 HE2 MET 53 HE2 MET 53 -15.952 -10.662 -2.613 143 HE3 MET 53 HE3 MET 53 -15.284 -12.114 -1.869 144 H GLU 54 HN GLU 54 -12.833 -5.846 -1.308 145 HA GLU 54 HA GLU 54 -10.071 -6.757 -1.418 146 HB2 GLU 54 HB2 GLU 54 -11.424 -4.362 -2.632 147 HB3 GLU 54 HB1 GLU 54 -9.754 -4.809 -2.901 148 HG2 GLU 54 HG2 GLU 54 -10.564 -6.960 -3.849 149 HG3 GLU 54 HG1 GLU 54 -12.204 -6.345 -3.704 150 H ARG 55 HN ARG 55 -12.141 -4.750 0.332 151 HA ARG 55 HA ARG 55 -10.288 -2.822 1.130 152 HB2 ARG 55 HB2 ARG 55 -12.364 -2.044 1.392 153 HB3 ARG 55 HB1 ARG 55 -13.055 -3.492 2.013 154 HG2 ARG 55 HG2 ARG 55 -11.557 -2.890 4.084 155 HG3 ARG 55 HG1 ARG 55 -11.499 -1.307 3.319 156 HD2 ARG 55 HD2 ARG 55 -13.977 -1.291 3.240 157 HD3 ARG 55 HD1 ARG 55 -13.990 -2.790 4.134 158 HE ARG 55 HE ARG 55 -13.074 -0.200 5.189 159 HH11 ARG 55 HH11 ARG 55 -14.155 -3.523 5.751 160 HH12 ARG 55 HH12 ARG 55 -14.209 -3.368 7.430 161 HH21 ARG 55 HH21 ARG 55 -13.151 0.032 7.418 162 HH22 ARG 55 HH22 ARG 55 -13.590 -1.261 8.440 163 H LEU 56 HN LEU 56 -8.653 -3.201 1.930 164 HA LEU 56 HA LEU 56 -8.291 -4.808 4.357 165 HB2 LEU 56 HB2 LEU 56 -7.253 -5.817 2.379 166 HB3 LEU 56 HB1 LEU 56 -6.525 -4.298 1.952 167 HG LEU 56 HG LEU 56 -5.693 -5.679 4.501 168 HD11 LEU 56 HD11 LEU 56 -4.621 -6.129 1.740 169 HD12 LEU 56 HD12 LEU 56 -5.638 -7.290 2.601 170 HD13 LEU 56 HD13 LEU 56 -4.038 -6.866 3.233 171 HD21 LEU 56 HD21 LEU 56 -4.216 -3.986 2.481 172 HD22 LEU 56 HD22 LEU 56 -3.601 -4.552 4.041 173 HD23 LEU 56 HD23 LEU 56 -4.914 -3.381 3.981 174 H VAL 57 HN VAL 57 -6.565 -3.818 5.757 175 HA VAL 57 HA VAL 57 -6.139 -1.032 5.140 176 HB VAL 57 HB VAL 57 -7.924 -0.896 6.708 177 HG11 VAL 57 HG11 VAL 57 -7.895 -3.111 7.616 178 HG12 VAL 57 HG12 VAL 57 -7.925 -1.920 8.917 179 HG13 VAL 57 HG13 VAL 57 -6.421 -2.757 8.519 180 HG21 VAL 57 HG21 VAL 57 -6.905 0.276 8.635 181 HG22 VAL 57 HG22 VAL 57 -6.177 0.730 7.096 182 HG23 VAL 57 HG23 VAL 57 -5.333 -0.383 8.168 183 H ALA 58 HN ALA 58 -4.106 -0.862 4.770 184 HA ALA 58 HA ALA 58 -2.238 -2.354 6.499 185 HB1 ALA 58 HB1 ALA 58 -1.633 -0.906 3.868 186 HB2 ALA 58 HB2 ALA 58 -1.744 -2.655 4.056 187 HB3 ALA 58 HB3 ALA 58 -0.437 -1.779 4.812 188 H ASP 59 HN ASP 59 -0.713 -1.251 7.713 189 HA ASP 59 HA ASP 59 -0.568 -0.069 9.517 190 HB2 ASP 59 HB2 ASP 59 -0.232 2.459 9.114 191 HB3 ASP 59 HB1 ASP 59 1.133 1.464 8.809 192 H LYS 60 HN LYS 60 -2.305 2.195 7.683 193 HA LYS 60 HA LYS 60 -4.661 1.760 9.121 194 HB2 LYS 60 HB2 LYS 60 -3.240 3.113 10.734 195 HB3 LYS 60 HB1 LYS 60 -3.491 4.449 9.615 196 HG2 LYS 60 HG2 LYS 60 -5.846 4.418 9.989 197 HG3 LYS 60 HG1 LYS 60 -5.708 2.946 10.957 198 HD2 LYS 60 HD2 LYS 60 -4.302 4.149 12.538 199 HD3 LYS 60 HD1 LYS 60 -4.498 5.621 11.583 200 HE2 LYS 60 HE2 LYS 60 -6.906 5.577 12.030 201 HE3 LYS 60 HE1 LYS 60 -6.722 4.065 12.916 202 HZ1 LYS 60 HZ1 LYS 60 -6.853 5.853 14.451 203 HZ2 LYS 60 HZ2 LYS 60 -5.617 6.712 13.701 204 HZ3 LYS 60 HZ3 LYS 60 -5.284 5.266 14.495 205 H LEU 61 HN LEU 61 -3.674 2.011 6.410 206 HA LEU 61 HA LEU 61 -5.419 4.119 5.359 207 HB2 LEU 61 HB2 LEU 61 -3.297 2.519 4.022 208 HB3 LEU 61 HB1 LEU 61 -4.196 3.833 3.296 209 HG LEU 61 HG LEU 61 -2.211 4.107 5.555 210 HD11 LEU 61 HD11 LEU 61 -2.009 4.918 2.668 211 HD12 LEU 61 HD12 LEU 61 -1.237 3.511 3.386 212 HD13 LEU 61 HD13 LEU 61 -0.769 5.134 3.909 213 HD21 LEU 61 HD21 LEU 61 -2.464 6.514 5.187 214 HD22 LEU 61 HD22 LEU 61 -3.992 5.785 5.664 215 HD23 LEU 61 HD23 LEU 61 -3.706 6.204 3.974 216 H ILE 62 HN ILE 62 -7.154 3.459 4.122 217 HA ILE 62 HA ILE 62 -7.615 0.593 4.202 218 HB ILE 62 HB ILE 62 -9.617 2.706 3.344 219 HG12 ILE 62 HG12 ILE 62 -8.812 3.267 5.620 220 HG13 ILE 62 HG11 ILE 62 -10.511 2.823 5.593 221 HG21 ILE 62 HG21 ILE 62 -11.223 1.030 4.052 222 HG22 ILE 62 HG22 ILE 62 -9.869 0.000 4.542 223 HG23 ILE 62 HG23 ILE 62 -10.104 0.388 2.821 224 HD11 ILE 62 HD11 ILE 62 -9.411 1.883 7.532 225 HD12 ILE 62 HD12 ILE 62 -8.207 1.124 6.486 226 HD13 ILE 62 HD13 ILE 62 -9.884 0.585 6.426 227 H PHE 63 HN PHE 63 -7.340 -0.508 2.390 228 HA PHE 63 HA PHE 63 -8.134 0.480 -0.080 229 HB2 PHE 63 HB2 PHE 63 -5.921 0.430 -1.309 230 HB3 PHE 63 HB1 PHE 63 -6.275 1.710 -0.160 231 HD1 PHE 63 HD2 PHE 63 -4.867 -1.647 0.802 232 HD2 PHE 63 HD1 PHE 63 -4.403 2.554 0.327 233 HE1 PHE 63 HE2 PHE 63 -2.757 -1.718 2.016 234 HE2 PHE 63 HE1 PHE 63 -2.327 2.461 1.509 235 HZ PHE 63 HZ PHE 63 -1.466 0.402 2.369 236 H HIS 64 HN HIS 64 -7.500 -0.776 -1.946 237 HA HIS 64 HA HIS 64 -8.378 -3.409 -1.736 238 HB2 HIS 64 HB2 HIS 64 -6.689 -2.165 -3.936 239 HB3 HIS 64 HB1 HIS 64 -7.774 -3.541 -4.092 240 HD2 HIS 64 HD2 HIS 64 -10.371 -2.889 -4.509 241 HE1 HIS 64 HE1 HIS 64 -9.790 1.311 -4.588 242 HE2 HIS 64 HE2 HIS 64 -11.406 -0.576 -5.140 243 H ASN 65 HN ASN 65 -7.264 -5.128 -1.138 244 HA ASN 65 HA ASN 65 -4.757 -5.221 -0.121 245 HB2 ASN 65 HB2 ASN 65 -4.995 -7.636 -0.237 246 HB3 ASN 65 HB1 ASN 65 -6.478 -6.886 0.311 247 HD21 ASN 65 HD21 ASN 65 -6.006 -9.513 -0.871 248 HD22 ASN 65 HD22 ASN 65 -7.035 -9.612 -2.258 249 H SER 66 HN SER 66 -5.795 -5.818 -3.379 250 HA SER 66 HA SER 66 -3.329 -6.822 -4.313 251 HB2 SER 66 HB2 SER 66 -4.505 -6.650 -6.483 252 HB3 SER 66 HB1 SER 66 -5.220 -7.718 -5.279 253 HG SER 66 HG SER 66 -6.966 -6.562 -5.354 254 H CYS 67 HN CYS 67 -4.198 -3.502 -3.803 255 HA CYS 67 HA CYS 67 -2.989 -2.830 -6.370 256 HB2 CYS 67 HB2 CYS 67 -3.820 -0.501 -5.961 257 HB3 CYS 67 HB1 CYS 67 -5.082 -1.744 -6.155 258 H PHE 68 HN PHE 68 -1.970 -2.707 -3.091 259 HA PHE 68 HA PHE 68 -0.321 -0.478 -3.784 260 HB2 PHE 68 HB2 PHE 68 0.667 -0.774 -1.487 261 HB3 PHE 68 HB1 PHE 68 -0.999 -0.144 -1.529 262 HD1 PHE 68 HD2 PHE 68 -2.576 -2.541 -1.392 263 HD2 PHE 68 HD1 PHE 68 1.276 -1.808 0.219 264 HE1 PHE 68 HE2 PHE 68 -2.992 -4.240 0.384 265 HE2 PHE 68 HE1 PHE 68 0.874 -3.477 1.977 266 HZ PHE 68 HZ PHE 68 -1.215 -4.692 2.058 267 H CYS 69 HN CYS 69 1.062 -0.925 -5.145 268 HA CYS 69 HA CYS 69 3.077 -2.936 -4.554 269 HB2 CYS 69 HB2 CYS 69 2.519 -1.607 -7.242 270 HB3 CYS 69 HB1 CYS 69 3.597 -2.918 -6.885 271 HG CYS 69 HG CYS 69 0.216 -3.043 -7.107 272 H CYS 70 HN CYS 70 5.276 -2.103 -5.397 273 HA CYS 70 HA CYS 70 5.825 0.324 -4.084 274 HB2 CYS 70 HB2 CYS 70 7.549 -1.183 -4.130 275 HB3 CYS 70 HB1 CYS 70 7.515 -1.458 -5.851 276 H LYS 71 HN LYS 71 6.231 2.272 -4.772 277 HA LYS 71 HA LYS 71 4.722 3.099 -7.106 278 HB2 LYS 71 HB2 LYS 71 4.952 4.184 -4.709 279 HB3 LYS 71 HB1 LYS 71 6.323 4.985 -5.479 280 HG2 LYS 71 HG2 LYS 71 4.399 6.378 -5.733 281 HG3 LYS 71 HG1 LYS 71 4.732 5.631 -7.303 282 HD2 LYS 71 HD2 LYS 71 3.094 3.748 -6.312 283 HD3 LYS 71 HD1 LYS 71 2.512 5.134 -5.406 284 HE2 LYS 71 HE2 LYS 71 2.848 5.036 -8.343 285 HE3 LYS 71 HE1 LYS 71 1.313 4.714 -7.538 286 HZ1 LYS 71 HZ1 LYS 71 1.396 6.979 -6.618 287 HZ2 LYS 71 HZ2 LYS 71 1.389 6.996 -8.303 288 HZ3 LYS 71 HZ3 LYS 71 2.816 7.297 -7.475 289 H HIS 72 HN HIS 72 7.985 2.457 -6.395 290 HA HIS 72 HA HIS 72 8.877 4.147 -8.601 291 HB2 HIS 72 HB2 HIS 72 10.007 4.058 -6.323 292 HB3 HIS 72 HB1 HIS 72 10.657 2.494 -6.811 293 HD2 HIS 72 HD2 HIS 72 12.524 2.670 -9.008 294 HE1 HIS 72 HE1 HIS 72 13.261 6.770 -8.255 295 HE2 HIS 72 HE2 HIS 72 14.227 4.634 -9.138 296 H CYS 73 HN CYS 73 8.435 0.763 -7.699 297 HA CYS 73 HA CYS 73 8.940 0.077 -10.414 298 HB2 CYS 73 HB2 CYS 73 10.395 -1.749 -9.870 299 HB3 CYS 73 HB1 CYS 73 10.897 -0.354 -9.014 300 H HIS 74 HN HIS 74 7.277 -1.582 -10.991 301 HA HIS 74 HA HIS 74 5.164 -1.794 -9.013 302 HB2 HIS 74 HB2 HIS 74 3.859 -3.042 -10.749 303 HB3 HIS 74 HB1 HIS 74 4.327 -1.416 -11.208 304 HD1 HIS 74 HD1 HIS 74 5.654 -1.184 -13.328 305 HD2 HIS 74 HD2 HIS 74 5.250 -5.134 -12.137 306 HE1 HIS 74 HE1 HIS 74 6.524 -2.553 -15.236 307 HE2 HIS 74 HE2 HIS 74 5.974 -4.907 -14.601 308 H THR 75 HN THR 75 6.966 -2.835 -7.880 309 HA THR 75 HA THR 75 7.105 -5.682 -7.943 310 HB THR 75 HB THR 75 8.224 -3.464 -6.385 311 HG1 THR 75 HG1 THR 75 9.737 -4.049 -7.572 312 HG21 THR 75 HG21 THR 75 9.201 -5.003 -4.654 313 HG22 THR 75 HG22 THR 75 7.954 -6.197 -5.109 314 HG23 THR 75 HG23 THR 75 7.506 -4.577 -4.518 315 H LYS 76 HN LYS 76 5.854 -7.092 -6.932 316 HA LYS 76 HA LYS 76 3.410 -6.164 -5.790 317 HB2 LYS 76 HB2 LYS 76 3.710 -8.192 -7.307 318 HB3 LYS 76 HB1 LYS 76 4.388 -8.986 -5.887 319 HG2 LYS 76 HG2 LYS 76 2.120 -9.611 -6.029 320 HG3 LYS 76 HG1 LYS 76 2.290 -8.500 -4.679 321 HD2 LYS 76 HD2 LYS 76 1.409 -6.666 -5.989 322 HD3 LYS 76 HD1 LYS 76 1.373 -7.681 -7.434 323 HE2 LYS 76 HE2 LYS 76 -0.223 -9.173 -6.253 324 HE3 LYS 76 HE1 LYS 76 -0.239 -8.021 -4.925 325 HZ1 LYS 76 HZ1 LYS 76 -1.217 -6.361 -6.377 326 HZ2 LYS 76 HZ2 LYS 76 -2.102 -7.793 -6.505 327 HZ3 LYS 76 HZ3 LYS 76 -1.023 -7.373 -7.706 328 H LEU 77 HN LEU 77 4.183 -5.179 -4.067 329 HA LEU 77 HA LEU 77 5.318 -6.765 -1.902 330 HB2 LEU 77 HB2 LEU 77 5.994 -4.637 -0.869 331 HB3 LEU 77 HB1 LEU 77 6.467 -4.823 -2.556 332 HG LEU 77 HG LEU 77 4.666 -3.340 -3.285 333 HD11 LEU 77 HD11 LEU 77 3.578 -1.860 -1.793 334 HD12 LEU 77 HD12 LEU 77 4.606 -2.392 -0.493 335 HD13 LEU 77 HD13 LEU 77 3.319 -3.476 -1.069 336 HD21 LEU 77 HD21 LEU 77 5.863 -1.402 -2.727 337 HD22 LEU 77 HD22 LEU 77 6.984 -2.757 -2.986 338 HD23 LEU 77 HD23 LEU 77 6.589 -2.217 -1.355 339 H SER 78 HN SER 78 2.419 -5.942 -2.975 340 HA SER 78 HA SER 78 0.902 -5.049 -0.868 341 HB2 SER 78 HB2 SER 78 0.072 -7.235 -2.623 342 HB3 SER 78 HB1 SER 78 -0.868 -5.828 -2.117 343 HG SER 78 HG SER 78 0.691 -4.565 -3.389 344 H LEU 79 HN LEU 79 0.229 -5.960 0.901 345 HA LEU 79 HA LEU 79 0.650 -7.237 2.747 346 HB2 LEU 79 HB2 LEU 79 -1.686 -7.602 1.375 347 HB3 LEU 79 HB1 LEU 79 -1.207 -9.231 1.840 348 HG LEU 79 HG LEU 79 -2.710 -8.207 3.492 349 HD11 LEU 79 HD11 LEU 79 -1.131 -9.850 4.153 350 HD12 LEU 79 HD12 LEU 79 -1.382 -8.664 5.454 351 HD13 LEU 79 HD13 LEU 79 0.082 -8.603 4.446 352 HD21 LEU 79 HD21 LEU 79 -2.169 -5.852 3.285 353 HD22 LEU 79 HD22 LEU 79 -0.517 -6.122 3.758 354 HD23 LEU 79 HD23 LEU 79 -1.810 -6.344 4.932 355 H GLY 80 HN GLY 80 2.777 -7.784 2.410 356 HA2 GLY 80 HA2 GLY 80 3.216 -10.488 3.044 357 HA3 GLY 80 HA1 GLY 80 3.776 -10.148 1.405 358 H SER 81 HN SER 81 5.253 -8.432 1.105 359 HA SER 81 HA SER 81 6.650 -7.592 3.538 360 HB2 SER 81 HB2 SER 81 8.830 -7.901 2.278 361 HB3 SER 81 HB1 SER 81 8.007 -9.394 2.715 362 HG SER 81 HG SER 81 7.512 -8.192 0.235 363 H TYR 82 HN TYR 82 6.294 -5.433 3.571 364 HA TYR 82 HA TYR 82 6.765 -3.950 1.132 365 HB2 TYR 82 HB2 TYR 82 4.587 -2.781 1.322 366 HB3 TYR 82 HB1 TYR 82 4.407 -4.489 1.066 367 HD1 TYR 82 HD1 TYR 82 4.524 -2.063 3.875 368 HD2 TYR 82 HD2 TYR 82 2.772 -5.643 2.354 369 HE1 TYR 82 HE1 TYR 82 2.999 -2.129 5.772 370 HE2 TYR 82 HE2 TYR 82 1.287 -5.725 4.249 371 HH TYR 82 HH TYR 82 0.990 -3.095 6.453 372 H ALA 83 HN ALA 83 6.728 -1.621 1.509 373 HA ALA 83 HA ALA 83 7.198 -0.782 4.255 374 HB1 ALA 83 HB1 ALA 83 8.992 0.713 3.385 375 HB2 ALA 83 HB2 ALA 83 8.852 -0.082 1.816 376 HB3 ALA 83 HB3 ALA 83 9.395 -0.996 3.225 377 H ALA 84 HN ALA 84 5.686 0.807 4.606 378 HA ALA 84 HA ALA 84 4.773 2.168 2.183 379 HB1 ALA 84 HB1 ALA 84 3.116 1.588 4.634 380 HB2 ALA 84 HB2 ALA 84 3.082 0.655 3.145 381 HB3 ALA 84 HB3 ALA 84 2.571 2.344 3.133 382 H LEU 85 HN LEU 85 4.894 4.323 2.122 383 HA LEU 85 HA LEU 85 5.463 5.653 4.641 384 HB2 LEU 85 HB2 LEU 85 7.350 5.705 3.151 385 HB3 LEU 85 HB1 LEU 85 6.423 6.376 1.830 386 HG LEU 85 HG LEU 85 5.926 8.249 3.543 387 HD11 LEU 85 HD11 LEU 85 7.680 8.709 5.053 388 HD12 LEU 85 HD12 LEU 85 8.466 7.176 4.614 389 HD13 LEU 85 HD13 LEU 85 6.891 7.167 5.443 390 HD21 LEU 85 HD21 LEU 85 8.622 8.019 2.243 391 HD22 LEU 85 HD22 LEU 85 7.887 9.496 2.884 392 HD23 LEU 85 HD23 LEU 85 7.142 8.666 1.514 393 H HIS 86 HN HIS 86 4.405 7.577 4.882 394 HA HIS 86 HA HIS 86 1.863 7.929 3.989 395 HB2 HIS 86 HB2 HIS 86 2.223 10.445 4.469 396 HB3 HIS 86 HB1 HIS 86 2.521 9.327 5.787 397 HD1 HIS 86 HD1 HIS 86 4.529 10.068 7.104 398 HD2 HIS 86 HD2 HIS 86 5.015 10.891 3.064 399 HE1 HIS 86 HE1 HIS 86 6.813 11.076 6.851 400 HE2 HIS 86 HE2 HIS 86 6.824 11.957 4.542 401 H GLY 87 HN GLY 87 1.051 8.158 2.019 402 HA2 GLY 87 HA2 GLY 87 0.777 9.396 0.024 403 HA3 GLY 87 HA1 GLY 87 2.457 9.884 0.134 404 H GLU 88 HN GLU 88 3.719 7.246 0.393 405 HA GLU 88 HA GLU 88 2.868 6.041 -2.088 406 HB2 GLU 88 HB2 GLU 88 5.784 6.842 -1.792 407 HB3 GLU 88 HB1 GLU 88 5.010 6.011 -3.120 408 HG2 GLU 88 HG2 GLU 88 3.609 7.851 -3.618 409 HG3 GLU 88 HG1 GLU 88 4.286 8.767 -2.282 410 H PHE 89 HN PHE 89 3.434 3.945 -2.372 411 HA PHE 89 HA PHE 89 4.324 2.557 0.014 412 HB2 PHE 89 HB2 PHE 89 2.804 1.616 -2.444 413 HB3 PHE 89 HB1 PHE 89 3.111 0.644 -1.009 414 HD1 PHE 89 HD2 PHE 89 1.283 3.507 -2.388 415 HD2 PHE 89 HD1 PHE 89 1.853 1.066 1.061 416 HE1 PHE 89 HE2 PHE 89 -0.628 4.584 -1.317 417 HE2 PHE 89 HE1 PHE 89 -0.043 2.138 2.126 418 HZ PHE 89 HZ PHE 89 -1.288 3.937 0.921 419 H TYR 90 HN TYR 90 6.187 1.396 -0.127 420 HA TYR 90 HA TYR 90 7.605 1.714 -2.675 421 HB2 TYR 90 HB2 TYR 90 7.694 3.196 -0.446 422 HB3 TYR 90 HB1 TYR 90 9.206 2.296 -0.232 423 HD1 TYR 90 HD1 TYR 90 6.979 4.329 -2.437 424 HD2 TYR 90 HD2 TYR 90 11.025 3.380 -1.472 425 HE1 TYR 90 HE1 TYR 90 7.704 6.114 -3.856 426 HE2 TYR 90 HE2 TYR 90 11.789 5.205 -2.871 427 HH TYR 90 HH TYR 90 9.723 7.608 -4.015 428 H CYS 91 HN CYS 91 9.159 0.041 -2.942 429 HA CYS 91 HA CYS 91 8.586 -2.250 -1.323 430 HB2 CYS 91 HB2 CYS 91 10.179 -3.486 -2.711 431 HB3 CYS 91 HB1 CYS 91 9.112 -2.582 -3.742 432 H LYS 92 HN LYS 92 10.263 -3.334 -0.041 433 HA LYS 92 HA LYS 92 11.536 -1.545 1.630 434 HB2 LYS 92 HB2 LYS 92 12.241 -4.459 1.216 435 HB3 LYS 92 HB1 LYS 92 12.828 -3.454 2.536 436 HG2 LYS 92 HG2 LYS 92 10.565 -3.150 3.360 437 HG3 LYS 92 HG1 LYS 92 9.922 -4.066 1.999 438 HD2 LYS 92 HD2 LYS 92 10.003 -5.470 3.965 439 HD3 LYS 92 HD1 LYS 92 11.175 -6.037 2.777 440 HE2 LYS 92 HE2 LYS 92 12.957 -4.845 4.020 441 HE3 LYS 92 HE1 LYS 92 11.762 -4.364 5.220 442 HZ1 LYS 92 HZ1 LYS 92 12.988 -6.262 5.964 443 HZ2 LYS 92 HZ2 LYS 92 12.612 -7.125 4.575 444 HZ3 LYS 92 HZ3 LYS 92 11.401 -6.752 5.680 445 HA PRO 93 HA PRO 93 15.768 -2.285 -0.880 446 HB2 PRO 93 HB2 PRO 93 14.479 -2.417 -3.561 447 HB3 PRO 93 HB1 PRO 93 15.956 -3.199 -2.988 448 HG2 PRO 93 HG2 PRO 93 13.730 -4.608 -3.293 449 HG3 PRO 93 HG1 PRO 93 14.788 -4.890 -1.906 450 HD2 PRO 93 HD2 PRO 93 12.203 -3.478 -2.050 451 HD3 PRO 93 HD1 PRO 93 12.853 -4.517 -0.765 452 H HIS 94 HN HIS 94 12.997 -0.797 -2.587 453 HA HIS 94 HA HIS 94 14.565 1.485 -3.312 454 HB2 HIS 94 HB2 HIS 94 11.665 0.865 -3.682 455 HB3 HIS 94 HB1 HIS 94 12.236 2.520 -3.889 456 HD2 HIS 94 HD2 HIS 94 15.053 1.625 -5.318 457 HE1 HIS 94 HE1 HIS 94 12.370 0.191 -8.308 458 HE2 HIS 94 HE2 HIS 94 14.677 1.190 -7.880 459 H PHE 95 HN PHE 95 12.356 0.834 -0.740 460 HA PHE 95 HA PHE 95 12.130 3.501 0.187 461 HB2 PHE 95 HB2 PHE 95 10.712 1.445 0.811 462 HB3 PHE 95 HB1 PHE 95 12.051 1.000 1.851 463 HD1 PHE 95 HD2 PHE 95 10.050 4.048 1.156 464 HD2 PHE 95 HD1 PHE 95 11.800 1.510 4.037 465 HE1 PHE 95 HE2 PHE 95 9.153 5.464 2.950 466 HE2 PHE 95 HE1 PHE 95 10.901 2.879 5.823 467 HZ PHE 95 HZ PHE 95 9.565 4.883 5.295 468 H GLN 96 HN GLN 96 14.338 0.841 0.888 469 HA GLN 96 HA GLN 96 15.854 2.229 2.795 470 HB2 GLN 96 HB2 GLN 96 16.491 -0.172 1.104 471 HB3 GLN 96 HB1 GLN 96 17.590 0.446 2.333 472 HG2 GLN 96 HG2 GLN 96 15.915 0.081 4.045 473 HG3 GLN 96 HG1 GLN 96 14.759 -0.479 2.855 474 HE21 GLN 96 HE21 GLN 96 17.658 -1.222 4.569 475 HE22 GLN 96 HE22 GLN 96 17.682 -2.918 4.225 476 H GLN 97 HN GLN 97 16.320 1.931 -0.748 477 HA GLN 97 HA GLN 97 18.771 3.328 -0.689 478 HB2 GLN 97 HB2 GLN 97 16.817 2.656 -2.890 479 HB3 GLN 97 HB1 GLN 97 18.323 3.508 -3.134 480 HG2 GLN 97 HG2 GLN 97 19.577 1.604 -2.358 481 HG3 GLN 97 HG1 GLN 97 18.081 0.759 -1.950 482 HE21 GLN 97 HE21 GLN 97 16.815 -0.028 -3.577 483 HE22 GLN 97 HE22 GLN 97 17.381 -0.220 -5.204 484 H LEU 98 HN LEU 98 15.483 4.282 -1.673 485 HA LEU 98 HA LEU 98 16.287 6.951 -2.296 486 HB2 LEU 98 HB2 LEU 98 13.671 5.544 -2.253 487 HB3 LEU 98 HB1 LEU 98 13.857 7.212 -2.769 488 HG LEU 98 HG LEU 98 15.450 5.020 -4.089 489 HD11 LEU 98 HD11 LEU 98 12.690 5.959 -4.788 490 HD12 LEU 98 HD12 LEU 98 13.141 4.355 -4.190 491 HD13 LEU 98 HD13 LEU 98 13.703 4.899 -5.776 492 HD21 LEU 98 HD21 LEU 98 14.449 7.714 -4.943 493 HD22 LEU 98 HD22 LEU 98 15.314 6.599 -5.982 494 HD23 LEU 98 HD23 LEU 98 16.125 7.301 -4.565 495 H PHE 99 HN PHE 99 14.266 5.486 0.268 496 HA PHE 99 HA PHE 99 14.061 8.159 1.439 497 HB2 PHE 99 HB2 PHE 99 12.411 5.718 1.545 498 HB3 PHE 99 HB1 PHE 99 12.156 6.896 2.838 499 HD1 PHE 99 HD1 PHE 99 12.873 8.922 0.153 500 HD2 PHE 99 HD2 PHE 99 9.891 6.043 1.247 501 HE1 PHE 99 HE1 PHE 99 11.297 9.890 -1.450 502 HE2 PHE 99 HE2 PHE 99 8.375 7.032 -0.363 503 HZ PHE 99 HZ PHE 99 9.088 8.969 -1.717 504 H LYS 100 HN LYS 100 15.878 5.503 1.725 505 HA LYS 100 HA LYS 100 17.378 4.706 3.129 506 HB2 LYS 100 HB2 LYS 100 17.327 7.524 4.156 507 HB3 LYS 100 HB1 LYS 100 18.515 6.308 4.602 508 HG2 LYS 100 HG2 LYS 100 19.194 6.128 2.257 509 HG3 LYS 100 HG1 LYS 100 18.030 7.384 1.841 510 HD2 LYS 100 HD2 LYS 100 20.222 7.822 3.862 511 HD3 LYS 100 HD1 LYS 100 20.479 8.086 2.147 512 HE2 LYS 100 HE2 LYS 100 19.999 10.184 3.266 513 HE3 LYS 100 HE1 LYS 100 18.703 9.792 2.150 514 HZ1 LYS 100 HZ1 LYS 100 18.572 9.315 5.087 515 HZ2 LYS 100 HZ2 LYS 100 17.268 9.274 3.985 516 HZ3 LYS 100 HZ3 LYS 100 18.030 10.704 4.339 517 H SER 101 HN SER 101 15.038 3.792 3.953 518 HA SER 101 HA SER 101 15.591 3.386 6.729 519 HB2 SER 101 HB2 SER 101 14.060 5.357 6.782 520 HB3 SER 101 HB1 SER 101 12.891 4.460 5.818 521 HG SER 101 HG SER 101 12.233 4.193 7.851 522 H LYS 102 HN LYS 102 14.333 1.501 7.457 523 HA LYS 102 HA LYS 102 13.486 -0.057 5.153 524 HB2 LYS 102 HB2 LYS 102 13.970 -2.152 6.379 525 HB3 LYS 102 HB1 LYS 102 15.404 -1.185 6.152 526 HG2 LYS 102 HG2 LYS 102 13.840 -1.249 8.732 527 HG3 LYS 102 HG1 LYS 102 15.147 -2.368 8.365 528 HD2 LYS 102 HD2 LYS 102 15.443 0.648 8.456 529 HD3 LYS 102 HD1 LYS 102 15.832 -0.425 9.794 530 HE2 LYS 102 HE2 LYS 102 17.127 -0.470 7.067 531 HE3 LYS 102 HE1 LYS 102 17.817 0.216 8.532 532 HZ1 LYS 102 HZ1 LYS 102 17.747 -1.974 9.533 533 HZ2 LYS 102 HZ2 LYS 102 18.704 -1.956 8.166 534 HZ3 LYS 102 HZ3 LYS 102 17.163 -2.661 8.117 535 H GLY 103 HN GLY 103 11.494 -0.046 4.916 536 HA2 GLY 103 HA2 GLY 103 9.644 1.144 6.558 537 HA3 GLY 103 HA1 GLY 103 9.207 0.030 5.285 538 H ASN 104 HN ASN 104 9.621 -2.321 5.992 539 HA ASN 104 HA ASN 104 8.031 -2.693 8.365 540 HB2 ASN 104 HB2 ASN 104 7.689 -4.056 6.256 541 HB3 ASN 104 HB1 ASN 104 9.254 -4.798 6.558 542 HD21 ASN 104 HD21 ASN 104 6.730 -6.115 6.379 543 HD22 ASN 104 HD22 ASN 104 6.449 -6.879 7.897 544 H TYR 105 HN TYR 105 9.714 -1.736 9.656 545 HA TYR 105 HA TYR 105 12.083 -3.277 10.168 546 HB2 TYR 105 HB2 TYR 105 11.959 -0.792 10.566 547 HB3 TYR 105 HB1 TYR 105 10.807 -1.095 11.858 548 HD1 TYR 105 HD2 TYR 105 11.569 -2.274 13.921 549 HD2 TYR 105 HD1 TYR 105 14.278 -1.069 10.896 550 HE1 TYR 105 HE2 TYR 105 13.425 -2.543 15.493 551 HE2 TYR 105 HE1 TYR 105 16.152 -1.330 12.461 552 HH TYR 105 HH TYR 105 16.581 -1.405 14.783 553 H ASP 106 HN ASP 106 11.741 -5.251 10.942 554 HA ASP 106 HA ASP 106 9.724 -5.556 13.059 555 HB2 ASP 106 HB2 ASP 106 9.276 -6.557 10.687 556 HB3 ASP 106 HB1 ASP 106 10.463 -7.763 11.151 557 H GLU 107 HN GLU 107 12.459 -4.921 13.410 558 HA GLU 107 HA GLU 107 13.624 -7.431 14.274 559 HB2 GLU 107 HB2 GLU 107 14.723 -4.612 14.495 560 HB3 GLU 107 HB1 GLU 107 15.585 -6.058 14.982 561 HG2 GLU 107 HG2 GLU 107 15.418 -6.815 12.586 562 HG3 GLU 107 HG1 GLU 107 14.839 -5.191 12.206 Start of MODEL 4 1 H1 ARG 36 HT1 ARG 36 -19.982 0.582 13.532 2 H2 ARG 36 HT2 ARG 36 -19.616 -0.564 14.705 3 H3 ARG 36 HT3 ARG 36 -21.086 -0.621 13.863 4 HA ARG 36 HA ARG 36 -18.433 -0.956 12.633 5 HB2 ARG 36 HB2 ARG 36 -20.625 -3.011 13.033 6 HB3 ARG 36 HB1 ARG 36 -19.113 -3.278 12.192 7 HG2 ARG 36 HG2 ARG 36 -17.924 -2.875 14.339 8 HG3 ARG 36 HG1 ARG 36 -19.497 -2.786 15.133 9 HD2 ARG 36 HD2 ARG 36 -18.684 -5.024 15.399 10 HD3 ARG 36 HD1 ARG 36 -19.995 -5.069 14.220 11 HE ARG 36 HE ARG 36 -17.172 -4.983 13.410 12 HH11 ARG 36 HH11 ARG 36 -20.361 -6.496 13.103 13 HH12 ARG 36 HH12 ARG 36 -19.837 -7.688 12.019 14 HH21 ARG 36 HH21 ARG 36 -16.464 -6.651 11.885 15 HH22 ARG 36 HH22 ARG 36 -17.612 -7.752 11.301 16 H ALA 37 HN ALA 37 -19.387 0.883 11.272 17 HA ALA 37 HA ALA 37 -21.140 -0.326 9.252 18 HB1 ALA 37 HB1 ALA 37 -22.333 1.747 8.946 19 HB2 ALA 37 HB2 ALA 37 -21.309 2.546 10.130 20 HB3 ALA 37 HB3 ALA 37 -22.414 1.269 10.643 21 H GLN 38 HN GLN 38 -18.146 0.764 9.764 22 HA GLN 38 HA GLN 38 -17.884 2.250 7.330 23 HB2 GLN 38 HB2 GLN 38 -15.767 1.340 9.293 24 HB3 GLN 38 HB1 GLN 38 -15.453 2.338 7.885 25 HG2 GLN 38 HG2 GLN 38 -16.917 4.076 8.802 26 HG3 GLN 38 HG1 GLN 38 -17.183 3.079 10.233 27 HE21 GLN 38 HE21 GLN 38 -16.295 4.636 11.586 28 HE22 GLN 38 HE22 GLN 38 -14.595 4.926 11.629 29 H VAL 39 HN VAL 39 -18.624 0.684 5.954 30 HA VAL 39 HA VAL 39 -16.708 -1.472 5.341 31 HB VAL 39 HB VAL 39 -18.639 -2.799 4.431 32 HG11 VAL 39 HG11 VAL 39 -17.770 -3.262 6.671 33 HG12 VAL 39 HG12 VAL 39 -19.516 -3.501 6.614 34 HG13 VAL 39 HG13 VAL 39 -18.850 -2.042 7.346 35 HG21 VAL 39 HG21 VAL 39 -20.186 -0.963 4.030 36 HG22 VAL 39 HG22 VAL 39 -20.282 -0.642 5.759 37 HG23 VAL 39 HG23 VAL 39 -20.919 -2.153 5.105 38 H LYS 40 HN LYS 40 -17.654 1.391 4.308 39 HA LYS 40 HA LYS 40 -17.280 0.719 1.483 40 HB2 LYS 40 HB2 LYS 40 -19.043 2.910 2.625 41 HB3 LYS 40 HB1 LYS 40 -18.684 2.688 0.917 42 HG2 LYS 40 HG2 LYS 40 -19.832 0.537 0.945 43 HG3 LYS 40 HG1 LYS 40 -20.167 0.722 2.666 44 HD2 LYS 40 HD2 LYS 40 -22.140 1.314 1.423 45 HD3 LYS 40 HD1 LYS 40 -21.458 2.777 2.128 46 HE2 LYS 40 HE2 LYS 40 -22.142 3.252 -0.118 47 HE3 LYS 40 HE1 LYS 40 -20.388 3.267 -0.062 48 HZ1 LYS 40 HZ1 LYS 40 -22.080 1.041 -1.086 49 HZ2 LYS 40 HZ2 LYS 40 -20.407 1.001 -1.051 50 HZ3 LYS 40 HZ3 LYS 40 -21.205 2.111 -2.013 51 H GLU 41 HN GLU 41 -15.177 0.929 2.085 52 HA GLU 41 HA GLU 41 -14.126 3.349 3.293 53 HB2 GLU 41 HB2 GLU 41 -12.911 0.744 2.439 54 HB3 GLU 41 HB1 GLU 41 -12.032 2.034 3.243 55 HG2 GLU 41 HG2 GLU 41 -14.410 0.600 4.360 56 HG3 GLU 41 HG1 GLU 41 -12.725 0.238 4.750 57 H THR 42 HN THR 42 -12.411 4.536 2.275 58 HA THR 42 HA THR 42 -12.300 3.997 -0.577 59 HB THR 42 HB THR 42 -11.255 6.599 0.361 60 HG1 THR 42 HG1 THR 42 -13.376 6.121 1.472 61 HG21 THR 42 HG21 THR 42 -12.367 7.341 -1.718 62 HG22 THR 42 HG22 THR 42 -13.054 5.726 -1.893 63 HG23 THR 42 HG23 THR 42 -11.308 5.953 -1.998 64 H CYS 43 HN CYS 43 -10.246 3.973 -1.469 65 HA CYS 43 HA CYS 43 -8.242 2.899 0.300 66 HB2 CYS 43 HB2 CYS 43 -8.557 1.490 -1.374 67 HB3 CYS 43 HB1 CYS 43 -9.020 2.694 -2.536 68 H ALA 44 HN ALA 44 -6.060 3.500 0.253 69 HA ALA 44 HA ALA 44 -5.557 6.299 -0.483 70 HB1 ALA 44 HB1 ALA 44 -5.237 5.652 1.832 71 HB2 ALA 44 HB2 ALA 44 -3.774 6.251 1.043 72 HB3 ALA 44 HB3 ALA 44 -3.966 4.516 1.327 73 H ALA 45 HN ALA 45 -4.746 3.088 -1.447 74 HA ALA 45 HA ALA 45 -2.143 3.849 -2.454 75 HB1 ALA 45 HB1 ALA 45 -2.463 1.710 -1.335 76 HB2 ALA 45 HB2 ALA 45 -1.894 1.503 -3.000 77 HB3 ALA 45 HB3 ALA 45 -3.590 1.206 -2.599 78 H CYS 46 HN CYS 46 -5.334 3.311 -3.579 79 HA CYS 46 HA CYS 46 -4.495 4.312 -6.152 80 HB2 CYS 46 HB2 CYS 46 -5.032 2.253 -7.373 81 HB3 CYS 46 HB1 CYS 46 -4.790 1.866 -5.862 82 H GLN 47 HN GLN 47 -6.385 4.727 -3.582 83 HA GLN 47 HA GLN 47 -8.137 5.877 -3.001 84 HB2 GLN 47 HB2 GLN 47 -7.219 7.563 -5.306 85 HB3 GLN 47 HB1 GLN 47 -8.454 8.039 -4.123 86 HG2 GLN 47 HG2 GLN 47 -6.946 7.857 -2.327 87 HG3 GLN 47 HG1 GLN 47 -5.716 7.133 -3.348 88 HE21 GLN 47 HE21 GLN 47 -5.693 9.492 -1.633 89 HE22 GLN 47 HE22 GLN 47 -5.190 10.807 -2.624 90 H LYS 48 HN LYS 48 -9.017 3.769 -4.254 91 HA LYS 48 HA LYS 48 -11.452 4.662 -5.635 92 HB2 LYS 48 HB2 LYS 48 -10.039 1.993 -5.815 93 HB3 LYS 48 HB1 LYS 48 -11.498 2.445 -6.681 94 HG2 LYS 48 HG2 LYS 48 -8.747 3.656 -7.018 95 HG3 LYS 48 HG1 LYS 48 -9.512 2.518 -8.112 96 HD2 LYS 48 HD2 LYS 48 -10.592 5.276 -7.477 97 HD3 LYS 48 HD1 LYS 48 -9.577 4.921 -8.864 98 HE2 LYS 48 HE2 LYS 48 -12.264 3.673 -8.307 99 HE3 LYS 48 HE1 LYS 48 -11.970 5.000 -9.427 100 HZ1 LYS 48 HZ1 LYS 48 -12.096 2.904 -10.577 101 HZ2 LYS 48 HZ2 LYS 48 -10.848 2.261 -9.647 102 HZ3 LYS 48 HZ3 LYS 48 -10.525 3.513 -10.714 103 H THR 49 HN THR 49 -13.377 3.495 -4.919 104 HA THR 49 HA THR 49 -13.398 3.176 -2.145 105 HB THR 49 HB THR 49 -15.527 2.083 -3.860 106 HG1 THR 49 HG1 THR 49 -16.067 4.077 -4.578 107 HG21 THR 49 HG21 THR 49 -15.340 3.775 -1.400 108 HG22 THR 49 HG22 THR 49 -15.861 2.082 -1.483 109 HG23 THR 49 HG23 THR 49 -16.887 3.365 -2.151 110 H VAL 50 HN VAL 50 -13.038 1.510 -0.953 111 HA VAL 50 HA VAL 50 -12.423 -1.075 -2.157 112 HB VAL 50 HB VAL 50 -12.032 -0.835 0.767 113 HG11 VAL 50 HG11 VAL 50 -9.919 -1.846 0.189 114 HG12 VAL 50 HG12 VAL 50 -10.379 -1.773 -1.510 115 HG13 VAL 50 HG13 VAL 50 -11.335 -2.734 -0.376 116 HG21 VAL 50 HG21 VAL 50 -11.394 1.443 0.145 117 HG22 VAL 50 HG22 VAL 50 -10.418 0.797 -1.162 118 HG23 VAL 50 HG23 VAL 50 -9.953 0.485 0.527 119 H TYR 51 HN TYR 51 -13.718 -2.785 -1.694 120 HA TYR 51 HA TYR 51 -16.015 -2.311 0.043 121 HB2 TYR 51 HB2 TYR 51 -15.609 -4.398 -2.111 122 HB3 TYR 51 HB1 TYR 51 -17.131 -4.039 -1.292 123 HD1 TYR 51 HD1 TYR 51 -17.355 -1.274 -1.356 124 HD2 TYR 51 HD2 TYR 51 -15.721 -3.772 -4.334 125 HE1 TYR 51 HE1 TYR 51 -17.885 0.442 -3.055 126 HE2 TYR 51 HE2 TYR 51 -16.229 -2.087 -6.053 127 HH TYR 51 HH TYR 51 -17.121 1.100 -5.263 128 HA PRO 52 HA PRO 52 -14.803 -5.022 3.276 129 HB2 PRO 52 HB2 PRO 52 -16.748 -7.040 2.390 130 HB3 PRO 52 HB1 PRO 52 -16.464 -6.418 4.018 131 HG2 PRO 52 HG2 PRO 52 -18.554 -5.536 2.667 132 HG3 PRO 52 HG1 PRO 52 -17.553 -4.403 3.589 133 HD2 PRO 52 HD2 PRO 52 -17.709 -4.810 0.648 134 HD3 PRO 52 HD1 PRO 52 -17.384 -3.333 1.570 135 H MET 53 HN MET 53 -15.283 -6.893 0.295 136 HA MET 53 HA MET 53 -13.625 -9.059 1.112 137 HB2 MET 53 HB2 MET 53 -15.346 -9.265 -0.572 138 HB3 MET 53 HB1 MET 53 -14.434 -8.225 -1.667 139 HG2 MET 53 HG2 MET 53 -12.593 -9.875 -1.584 140 HG3 MET 53 HG1 MET 53 -13.625 -10.923 -0.620 141 HE1 MET 53 HE1 MET 53 -13.286 -12.872 -2.263 142 HE2 MET 53 HE2 MET 53 -12.249 -11.896 -3.302 143 HE3 MET 53 HE3 MET 53 -13.587 -12.817 -3.999 144 H GLU 54 HN GLU 54 -12.997 -6.033 -0.542 145 HA GLU 54 HA GLU 54 -10.299 -6.901 -1.244 146 HB2 GLU 54 HB2 GLU 54 -11.797 -4.388 -1.956 147 HB3 GLU 54 HB1 GLU 54 -10.252 -4.904 -2.616 148 HG2 GLU 54 HG2 GLU 54 -11.288 -6.828 -3.618 149 HG3 GLU 54 HG1 GLU 54 -12.828 -6.409 -2.885 150 H ARG 55 HN ARG 55 -12.051 -5.068 1.013 151 HA ARG 55 HA ARG 55 -10.110 -3.144 1.655 152 HB2 ARG 55 HB2 ARG 55 -12.204 -2.460 2.265 153 HB3 ARG 55 HB1 ARG 55 -12.641 -4.000 2.983 154 HG2 ARG 55 HG2 ARG 55 -10.834 -3.318 4.736 155 HG3 ARG 55 HG1 ARG 55 -10.991 -1.726 4.016 156 HD2 ARG 55 HD2 ARG 55 -13.410 -1.741 4.457 157 HD3 ARG 55 HD1 ARG 55 -13.257 -3.312 5.227 158 HE ARG 55 HE ARG 55 -11.722 -1.059 6.272 159 HH11 ARG 55 HH11 ARG 55 -14.314 -3.457 6.776 160 HH12 ARG 55 HH12 ARG 55 -14.558 -3.061 8.401 161 HH21 ARG 55 HH21 ARG 55 -12.064 -0.532 8.549 162 HH22 ARG 55 HH22 ARG 55 -13.248 -1.377 9.426 163 H LEU 56 HN LEU 56 -8.328 -3.659 2.130 164 HA LEU 56 HA LEU 56 -7.713 -5.404 4.377 165 HB2 LEU 56 HB2 LEU 56 -6.822 -6.253 2.287 166 HB3 LEU 56 HB1 LEU 56 -6.242 -4.675 1.834 167 HG LEU 56 HG LEU 56 -5.021 -6.069 4.221 168 HD11 LEU 56 HD11 LEU 56 -4.205 -6.347 1.348 169 HD12 LEU 56 HD12 LEU 56 -5.085 -7.608 2.228 170 HD13 LEU 56 HD13 LEU 56 -3.463 -7.123 2.744 171 HD21 LEU 56 HD21 LEU 56 -3.081 -4.792 3.547 172 HD22 LEU 56 HD22 LEU 56 -4.470 -3.716 3.693 173 HD23 LEU 56 HD23 LEU 56 -3.917 -4.227 2.098 174 H VAL 57 HN VAL 57 -5.940 -4.535 5.683 175 HA VAL 57 HA VAL 57 -5.590 -1.689 5.345 176 HB VAL 57 HB VAL 57 -7.181 -1.897 7.140 177 HG11 VAL 57 HG11 VAL 57 -6.856 -4.191 7.760 178 HG12 VAL 57 HG12 VAL 57 -6.765 -3.149 9.180 179 HG13 VAL 57 HG13 VAL 57 -5.283 -3.811 8.477 180 HG21 VAL 57 HG21 VAL 57 -5.498 -0.212 7.431 181 HG22 VAL 57 HG22 VAL 57 -4.439 -1.360 8.248 182 HG23 VAL 57 HG23 VAL 57 -5.971 -0.869 8.998 183 H ALA 58 HN ALA 58 -3.550 -1.185 5.089 184 HA ALA 58 HA ALA 58 -1.519 -2.837 6.456 185 HB1 ALA 58 HB1 ALA 58 0.008 -2.454 4.492 186 HB2 ALA 58 HB2 ALA 58 -1.216 -1.485 3.733 187 HB3 ALA 58 HB3 ALA 58 -1.478 -3.206 3.915 188 H ASP 59 HN ASP 59 -0.074 -1.558 7.640 189 HA ASP 59 HA ASP 59 0.502 0.293 8.865 190 HB2 ASP 59 HB2 ASP 59 0.719 2.151 6.548 191 HB3 ASP 59 HB1 ASP 59 1.701 1.720 7.874 192 H LYS 60 HN LYS 60 -2.107 -0.056 8.850 193 HA LYS 60 HA LYS 60 -4.113 0.689 9.237 194 HB2 LYS 60 HB2 LYS 60 -2.884 1.798 11.064 195 HB3 LYS 60 HB1 LYS 60 -2.804 3.240 10.052 196 HG2 LYS 60 HG2 LYS 60 -5.158 3.522 10.131 197 HG3 LYS 60 HG1 LYS 60 -5.379 1.948 10.889 198 HD2 LYS 60 HD2 LYS 60 -4.239 2.705 12.859 199 HD3 LYS 60 HD1 LYS 60 -3.906 4.249 12.067 200 HE2 LYS 60 HE2 LYS 60 -5.855 4.312 13.655 201 HE3 LYS 60 HE1 LYS 60 -6.256 4.780 12.005 202 HZ1 LYS 60 HZ1 LYS 60 -7.891 3.283 13.008 203 HZ2 LYS 60 HZ2 LYS 60 -6.721 2.059 13.120 204 HZ3 LYS 60 HZ3 LYS 60 -7.217 2.636 11.616 205 H LEU 61 HN LEU 61 -2.658 1.731 6.615 206 HA LEU 61 HA LEU 61 -4.688 3.576 5.730 207 HB2 LEU 61 HB2 LEU 61 -2.651 2.041 4.193 208 HB3 LEU 61 HB1 LEU 61 -3.536 3.442 3.612 209 HG LEU 61 HG LEU 61 -1.491 3.476 5.843 210 HD11 LEU 61 HD11 LEU 61 -0.520 3.034 3.647 211 HD12 LEU 61 HD12 LEU 61 -0.049 4.611 4.288 212 HD13 LEU 61 HD13 LEU 61 -1.278 4.502 3.026 213 HD21 LEU 61 HD21 LEU 61 -1.659 5.914 5.652 214 HD22 LEU 61 HD22 LEU 61 -3.198 5.197 6.121 215 HD23 LEU 61 HD23 LEU 61 -2.945 5.733 4.458 216 H ILE 62 HN ILE 62 -6.569 2.973 4.672 217 HA ILE 62 HA ILE 62 -7.071 0.104 4.638 218 HB ILE 62 HB ILE 62 -9.114 2.310 4.225 219 HG12 ILE 62 HG12 ILE 62 -7.952 2.624 6.403 220 HG13 ILE 62 HG11 ILE 62 -9.662 2.262 6.575 221 HG21 ILE 62 HG21 ILE 62 -9.266 -0.498 5.181 222 HG22 ILE 62 HG22 ILE 62 -9.764 0.086 3.570 223 HG23 ILE 62 HG23 ILE 62 -10.641 0.602 5.035 224 HD11 ILE 62 HD11 ILE 62 -8.321 1.102 8.247 225 HD12 ILE 62 HD12 ILE 62 -7.381 0.337 6.959 226 HD13 ILE 62 HD13 ILE 62 -9.085 -0.049 7.147 227 H PHE 63 HN PHE 63 -6.972 -0.904 2.731 228 HA PHE 63 HA PHE 63 -8.009 0.212 0.405 229 HB2 PHE 63 HB2 PHE 63 -5.898 0.295 -0.980 230 HB3 PHE 63 HB1 PHE 63 -6.187 1.485 0.280 231 HD1 PHE 63 HD2 PHE 63 -4.654 -1.905 0.876 232 HD2 PHE 63 HD1 PHE 63 -4.303 2.324 0.714 233 HE1 PHE 63 HE2 PHE 63 -2.458 -2.027 1.926 234 HE2 PHE 63 HE1 PHE 63 -2.155 2.190 1.736 235 HZ PHE 63 HZ PHE 63 -1.175 0.089 2.353 236 H HIS 64 HN HIS 64 -7.479 -0.957 -1.588 237 HA HIS 64 HA HIS 64 -8.209 -3.653 -1.436 238 HB2 HIS 64 HB2 HIS 64 -6.752 -2.251 -3.702 239 HB3 HIS 64 HB1 HIS 64 -7.779 -3.673 -3.828 240 HD2 HIS 64 HD2 HIS 64 -10.428 -3.135 -4.055 241 HE1 HIS 64 HE1 HIS 64 -10.041 1.079 -3.991 242 HE2 HIS 64 HE2 HIS 64 -11.650 -0.865 -4.368 243 H ASN 65 HN ASN 65 -6.994 -5.375 -1.353 244 HA ASN 65 HA ASN 65 -4.363 -5.374 -0.436 245 HB2 ASN 65 HB2 ASN 65 -4.411 -7.808 -0.745 246 HB3 ASN 65 HB1 ASN 65 -5.882 -7.234 0.014 247 HD21 ASN 65 HD21 ASN 65 -5.294 -9.657 -1.454 248 HD22 ASN 65 HD22 ASN 65 -6.430 -9.758 -2.751 249 H SER 66 HN SER 66 -5.662 -5.673 -3.631 250 HA SER 66 HA SER 66 -3.330 -6.639 -4.898 251 HB2 SER 66 HB2 SER 66 -4.698 -6.176 -6.878 252 HB3 SER 66 HB1 SER 66 -5.407 -7.277 -5.689 253 HG SER 66 HG SER 66 -7.042 -5.956 -5.787 254 H CYS 67 HN CYS 67 -4.063 -3.408 -3.930 255 HA CYS 67 HA CYS 67 -3.136 -2.456 -6.530 256 HB2 CYS 67 HB2 CYS 67 -4.011 -0.196 -5.800 257 HB3 CYS 67 HB1 CYS 67 -5.208 -1.466 -6.112 258 H PHE 68 HN PHE 68 -1.889 -2.511 -3.318 259 HA PHE 68 HA PHE 68 -0.322 -0.209 -4.002 260 HB2 PHE 68 HB2 PHE 68 0.779 -0.585 -1.786 261 HB3 PHE 68 HB1 PHE 68 -0.902 -0.003 -1.687 262 HD1 PHE 68 HD2 PHE 68 -2.425 -2.448 -1.512 263 HD2 PHE 68 HD1 PHE 68 1.572 -1.711 -0.253 264 HE1 PHE 68 HE2 PHE 68 -2.602 -4.266 0.189 265 HE2 PHE 68 HE1 PHE 68 1.396 -3.487 1.390 266 HZ PHE 68 HZ PHE 68 -0.655 -4.764 1.611 267 H CYS 69 HN CYS 69 1.197 -0.395 -5.291 268 HA CYS 69 HA CYS 69 3.188 -2.430 -4.860 269 HB2 CYS 69 HB2 CYS 69 2.351 -1.253 -7.542 270 HB3 CYS 69 HB1 CYS 69 3.591 -2.426 -7.227 271 HG CYS 69 HG CYS 69 0.280 -2.891 -7.360 272 H CYS 70 HN CYS 70 5.304 -1.556 -5.897 273 HA CYS 70 HA CYS 70 5.921 0.880 -4.649 274 HB2 CYS 70 HB2 CYS 70 7.623 -0.719 -4.941 275 HB3 CYS 70 HB1 CYS 70 7.423 -0.744 -6.696 276 H LYS 71 HN LYS 71 6.205 2.749 -5.338 277 HA LYS 71 HA LYS 71 4.590 3.675 -7.496 278 HB2 LYS 71 HB2 LYS 71 4.963 4.807 -5.251 279 HB3 LYS 71 HB1 LYS 71 6.525 5.264 -5.901 280 HG2 LYS 71 HG2 LYS 71 5.244 7.190 -6.324 281 HG3 LYS 71 HG1 LYS 71 5.167 6.305 -7.825 282 HD2 LYS 71 HD2 LYS 71 3.047 6.042 -5.722 283 HD3 LYS 71 HD1 LYS 71 3.035 7.340 -6.912 284 HE2 LYS 71 HE2 LYS 71 3.212 5.607 -8.625 285 HE3 LYS 71 HE1 LYS 71 2.871 4.385 -7.388 286 HZ1 LYS 71 HZ1 LYS 71 1.062 6.633 -8.110 287 HZ2 LYS 71 HZ2 LYS 71 0.778 5.522 -6.883 288 HZ3 LYS 71 HZ3 LYS 71 0.813 5.016 -8.490 289 H HIS 72 HN HIS 72 8.033 3.320 -6.928 290 HA HIS 72 HA HIS 72 8.649 4.741 -9.354 291 HB2 HIS 72 HB2 HIS 72 10.068 4.761 -7.270 292 HB3 HIS 72 HB1 HIS 72 10.573 3.123 -7.679 293 HD2 HIS 72 HD2 HIS 72 12.048 3.033 -10.229 294 HE1 HIS 72 HE1 HIS 72 13.321 7.026 -9.682 295 HE2 HIS 72 HE2 HIS 72 13.886 4.803 -10.700 296 H CYS 73 HN CYS 73 8.375 1.345 -8.321 297 HA CYS 73 HA CYS 73 8.545 0.694 -11.117 298 HB2 CYS 73 HB2 CYS 73 9.936 -1.239 -10.705 299 HB3 CYS 73 HB1 CYS 73 10.584 0.137 -9.925 300 H HIS 74 HN HIS 74 6.787 -0.679 -11.671 301 HA HIS 74 HA HIS 74 4.848 -1.041 -9.524 302 HB2 HIS 74 HB2 HIS 74 3.261 -1.813 -11.278 303 HB3 HIS 74 HB1 HIS 74 3.853 -0.176 -11.498 304 HD1 HIS 74 HD1 HIS 74 4.735 0.352 -13.798 305 HD2 HIS 74 HD2 HIS 74 4.497 -3.739 -13.131 306 HE1 HIS 74 HE1 HIS 74 5.181 -0.707 -15.997 307 HE2 HIS 74 HE2 HIS 74 4.677 -3.118 -15.627 308 H THR 75 HN THR 75 6.502 -2.437 -8.624 309 HA THR 75 HA THR 75 6.161 -5.202 -9.448 310 HB THR 75 HB THR 75 8.446 -4.350 -8.861 311 HG1 THR 75 HG1 THR 75 9.027 -6.153 -7.731 312 HG21 THR 75 HG21 THR 75 7.883 -2.869 -6.996 313 HG22 THR 75 HG22 THR 75 9.068 -4.069 -6.487 314 HG23 THR 75 HG23 THR 75 7.373 -4.255 -6.033 315 H LYS 76 HN LYS 76 4.919 -6.612 -8.395 316 HA LYS 76 HA LYS 76 2.891 -5.661 -6.636 317 HB2 LYS 76 HB2 LYS 76 2.677 -7.516 -8.359 318 HB3 LYS 76 HB1 LYS 76 3.585 -8.515 -7.232 319 HG2 LYS 76 HG2 LYS 76 1.364 -9.070 -6.849 320 HG3 LYS 76 HG1 LYS 76 1.813 -7.992 -5.540 321 HD2 LYS 76 HD2 LYS 76 0.724 -6.121 -6.616 322 HD3 LYS 76 HD1 LYS 76 0.347 -7.110 -8.027 323 HE2 LYS 76 HE2 LYS 76 -0.704 -7.484 -5.224 324 HE3 LYS 76 HE1 LYS 76 -1.609 -6.890 -6.612 325 HZ1 LYS 76 HZ1 LYS 76 -0.496 -9.636 -6.284 326 HZ2 LYS 76 HZ2 LYS 76 -1.241 -9.073 -7.677 327 HZ3 LYS 76 HZ3 LYS 76 -2.118 -9.195 -6.253 328 H LEU 77 HN LEU 77 4.030 -4.946 -4.954 329 HA LEU 77 HA LEU 77 5.476 -6.810 -3.228 330 HB2 LEU 77 HB2 LEU 77 6.493 -4.817 -2.172 331 HB3 LEU 77 HB1 LEU 77 6.586 -4.874 -3.927 332 HG LEU 77 HG LEU 77 4.901 -3.227 -4.236 333 HD11 LEU 77 HD11 LEU 77 4.012 -1.840 -2.470 334 HD12 LEU 77 HD12 LEU 77 5.069 -2.626 -1.338 335 HD13 LEU 77 HD13 LEU 77 3.680 -3.518 -1.949 336 HD21 LEU 77 HD21 LEU 77 7.078 -2.438 -2.400 337 HD22 LEU 77 HD22 LEU 77 6.223 -1.380 -3.522 338 HD23 LEU 77 HD23 LEU 77 7.231 -2.704 -4.132 339 H SER 78 HN SER 78 2.484 -5.655 -3.506 340 HA SER 78 HA SER 78 1.624 -4.842 -1.043 341 HB2 SER 78 HB2 SER 78 -0.548 -5.792 -1.873 342 HB3 SER 78 HB1 SER 78 0.269 -4.665 -2.962 343 HG SER 78 HG SER 78 0.960 -7.339 -3.226 344 H LEU 79 HN LEU 79 1.144 -5.822 0.774 345 HA LEU 79 HA LEU 79 1.403 -7.292 2.449 346 HB2 LEU 79 HB2 LEU 79 -0.881 -7.635 0.911 347 HB3 LEU 79 HB1 LEU 79 -0.407 -9.246 1.446 348 HG LEU 79 HG LEU 79 -1.992 -8.242 3.028 349 HD11 LEU 79 HD11 LEU 79 0.772 -8.418 4.193 350 HD12 LEU 79 HD12 LEU 79 -0.323 -9.778 3.906 351 HD13 LEU 79 HD13 LEU 79 -0.748 -8.532 5.081 352 HD21 LEU 79 HD21 LEU 79 -1.233 -6.303 4.416 353 HD22 LEU 79 HD22 LEU 79 -1.619 -5.947 2.745 354 HD23 LEU 79 HD23 LEU 79 0.073 -6.051 3.242 355 H GLY 80 HN GLY 80 3.555 -7.731 1.010 356 HA2 GLY 80 HA2 GLY 80 4.007 -10.547 1.609 357 HA3 GLY 80 HA1 GLY 80 4.482 -9.939 0.015 358 H SER 81 HN SER 81 5.766 -7.958 0.046 359 HA SER 81 HA SER 81 7.329 -7.490 2.418 360 HB2 SER 81 HB2 SER 81 9.461 -7.702 1.026 361 HB3 SER 81 HB1 SER 81 8.638 -9.222 1.399 362 HG SER 81 HG SER 81 8.558 -9.548 -0.628 363 H TYR 82 HN TYR 82 6.982 -5.271 2.601 364 HA TYR 82 HA TYR 82 7.308 -3.757 0.180 365 HB2 TYR 82 HB2 TYR 82 5.207 -2.585 0.491 366 HB3 TYR 82 HB1 TYR 82 4.914 -4.297 0.279 367 HD1 TYR 82 HD1 TYR 82 5.365 -1.761 2.899 368 HD2 TYR 82 HD2 TYR 82 3.242 -5.278 1.791 369 HE1 TYR 82 HE1 TYR 82 3.903 -1.494 4.852 370 HE2 TYR 82 HE2 TYR 82 1.822 -5.037 3.748 371 HH TYR 82 HH TYR 82 1.782 -2.094 5.497 372 H ALA 83 HN ALA 83 7.335 -1.457 0.639 373 HA ALA 83 HA ALA 83 7.945 -0.829 3.415 374 HB1 ALA 83 HB1 ALA 83 9.340 0.194 0.935 375 HB2 ALA 83 HB2 ALA 83 10.030 -0.904 2.127 376 HB3 ALA 83 HB3 ALA 83 9.626 0.754 2.584 377 H ALA 84 HN ALA 84 6.392 0.614 4.025 378 HA ALA 84 HA ALA 84 5.228 2.155 1.832 379 HB1 ALA 84 HB1 ALA 84 3.663 0.585 2.844 380 HB2 ALA 84 HB2 ALA 84 3.167 2.257 3.071 381 HB3 ALA 84 HB3 ALA 84 3.890 1.362 4.414 382 H LEU 85 HN LEU 85 5.148 4.301 1.949 383 HA LEU 85 HA LEU 85 6.010 5.541 4.445 384 HB2 LEU 85 HB2 LEU 85 7.639 5.809 2.634 385 HB3 LEU 85 HB1 LEU 85 6.412 6.513 1.593 386 HG LEU 85 HG LEU 85 6.196 8.230 3.502 387 HD11 LEU 85 HD11 LEU 85 7.530 7.037 5.116 388 HD12 LEU 85 HD12 LEU 85 8.143 8.653 4.743 389 HD13 LEU 85 HD13 LEU 85 8.940 7.219 4.042 390 HD21 LEU 85 HD21 LEU 85 7.962 9.619 2.636 391 HD22 LEU 85 HD22 LEU 85 7.057 8.838 1.330 392 HD23 LEU 85 HD23 LEU 85 8.661 8.240 1.783 393 H HIS 86 HN HIS 86 4.844 7.413 4.886 394 HA HIS 86 HA HIS 86 2.169 7.585 4.289 395 HB2 HIS 86 HB2 HIS 86 2.467 10.112 4.845 396 HB3 HIS 86 HB1 HIS 86 2.901 8.937 6.076 397 HD1 HIS 86 HD1 HIS 86 5.006 9.561 7.237 398 HD2 HIS 86 HD2 HIS 86 5.104 10.789 3.279 399 HE1 HIS 86 HE1 HIS 86 7.241 10.661 6.880 400 HE2 HIS 86 HE2 HIS 86 7.008 11.754 4.667 401 H GLY 87 HN GLY 87 1.189 7.801 2.411 402 HA2 GLY 87 HA2 GLY 87 0.580 9.095 0.542 403 HA3 GLY 87 HA1 GLY 87 2.202 9.765 0.516 404 H GLU 88 HN GLU 88 3.651 7.176 0.515 405 HA GLU 88 HA GLU 88 2.722 6.109 -2.019 406 HB2 GLU 88 HB2 GLU 88 5.608 7.054 -1.807 407 HB3 GLU 88 HB1 GLU 88 4.799 6.316 -3.165 408 HG2 GLU 88 HG2 GLU 88 3.281 8.115 -3.420 409 HG3 GLU 88 HG1 GLU 88 3.947 8.926 -2.013 410 H PHE 89 HN PHE 89 3.354 4.029 -2.491 411 HA PHE 89 HA PHE 89 4.533 2.559 -0.283 412 HB2 PHE 89 HB2 PHE 89 2.839 1.638 -2.650 413 HB3 PHE 89 HB1 PHE 89 3.335 0.627 -1.304 414 HD1 PHE 89 HD2 PHE 89 1.269 3.479 -2.349 415 HD2 PHE 89 HD1 PHE 89 2.124 0.805 0.885 416 HE1 PHE 89 HE2 PHE 89 -0.629 4.377 -1.083 417 HE2 PHE 89 HE1 PHE 89 0.259 1.705 2.106 418 HZ PHE 89 HZ PHE 89 -1.119 3.541 1.104 419 H TYR 90 HN TYR 90 6.411 1.452 -0.694 420 HA TYR 90 HA TYR 90 7.606 1.949 -3.330 421 HB2 TYR 90 HB2 TYR 90 7.843 3.326 -1.031 422 HB3 TYR 90 HB1 TYR 90 9.376 2.436 -0.989 423 HD1 TYR 90 HD1 TYR 90 6.994 4.725 -2.742 424 HD2 TYR 90 HD2 TYR 90 11.084 3.488 -2.472 425 HE1 TYR 90 HE1 TYR 90 7.647 6.594 -4.119 426 HE2 TYR 90 HE2 TYR 90 11.725 5.394 -3.839 427 HH TYR 90 HH TYR 90 9.625 7.951 -4.529 428 H CYS 91 HN CYS 91 9.331 0.386 -3.714 429 HA CYS 91 HA CYS 91 8.972 -2.026 -2.181 430 HB2 CYS 91 HB2 CYS 91 10.563 -3.071 -3.710 431 HB3 CYS 91 HB1 CYS 91 9.360 -2.234 -4.644 432 H LYS 92 HN LYS 92 10.785 -3.030 -1.036 433 HA LYS 92 HA LYS 92 12.087 -1.250 0.583 434 HB2 LYS 92 HB2 LYS 92 12.756 -4.123 -0.020 435 HB3 LYS 92 HB1 LYS 92 13.528 -3.220 1.271 436 HG2 LYS 92 HG2 LYS 92 11.352 -2.860 2.314 437 HG3 LYS 92 HG1 LYS 92 10.566 -3.752 1.016 438 HD2 LYS 92 HD2 LYS 92 11.900 -5.741 1.645 439 HD3 LYS 92 HD1 LYS 92 12.584 -4.822 2.984 440 HE2 LYS 92 HE2 LYS 92 9.664 -5.492 2.583 441 HE3 LYS 92 HE1 LYS 92 10.751 -6.231 3.754 442 HZ1 LYS 92 HZ1 LYS 92 10.932 -4.043 4.883 443 HZ2 LYS 92 HZ2 LYS 92 9.330 -4.530 4.761 444 HZ3 LYS 92 HZ3 LYS 92 9.905 -3.374 3.734 445 HA PRO 93 HA PRO 93 16.198 -1.648 -2.120 446 HB2 PRO 93 HB2 PRO 93 14.871 -1.840 -4.779 447 HB3 PRO 93 HB1 PRO 93 16.409 -2.526 -4.232 448 HG2 PRO 93 HG2 PRO 93 14.310 -4.121 -4.490 449 HG3 PRO 93 HG1 PRO 93 15.346 -4.272 -3.073 450 HD2 PRO 93 HD2 PRO 93 12.695 -2.958 -3.309 451 HD3 PRO 93 HD1 PRO 93 13.320 -4.012 -2.027 452 H HIS 94 HN HIS 94 13.356 -0.298 -3.854 453 HA HIS 94 HA HIS 94 14.748 2.090 -4.537 454 HB2 HIS 94 HB2 HIS 94 11.822 1.395 -4.702 455 HB3 HIS 94 HB1 HIS 94 12.363 3.047 -4.954 456 HD2 HIS 94 HD2 HIS 94 15.038 2.182 -6.680 457 HE1 HIS 94 HE1 HIS 94 12.118 0.663 -9.362 458 HE2 HIS 94 HE2 HIS 94 14.446 1.641 -9.172 459 H PHE 95 HN PHE 95 12.818 1.183 -1.850 460 HA PHE 95 HA PHE 95 12.353 3.744 -0.768 461 HB2 PHE 95 HB2 PHE 95 11.286 1.494 -0.166 462 HB3 PHE 95 HB1 PHE 95 12.727 1.209 0.794 463 HD1 PHE 95 HD2 PHE 95 10.295 3.948 0.279 464 HD2 PHE 95 HD1 PHE 95 12.479 1.603 3.051 465 HE1 PHE 95 HE2 PHE 95 9.232 5.136 2.095 466 HE2 PHE 95 HE1 PHE 95 11.396 2.793 4.904 467 HZ PHE 95 HZ PHE 95 9.763 4.566 4.436 468 H GLN 96 HN GLN 96 14.949 1.399 -0.471 469 HA GLN 96 HA GLN 96 16.507 2.726 1.446 470 HB2 GLN 96 HB2 GLN 96 17.226 0.833 -0.764 471 HB3 GLN 96 HB1 GLN 96 18.391 1.418 0.409 472 HG2 GLN 96 HG2 GLN 96 17.146 0.442 2.188 473 HG3 GLN 96 HG1 GLN 96 15.866 -0.028 1.065 474 HE21 GLN 96 HE21 GLN 96 19.124 -0.651 2.117 475 HE22 GLN 96 HE22 GLN 96 19.271 -2.212 1.398 476 H GLN 97 HN GLN 97 16.635 2.826 -2.133 477 HA GLN 97 HA GLN 97 18.859 4.534 -2.145 478 HB2 GLN 97 HB2 GLN 97 16.889 3.712 -4.236 479 HB3 GLN 97 HB1 GLN 97 18.343 4.651 -4.551 480 HG2 GLN 97 HG2 GLN 97 19.687 2.804 -3.655 481 HG3 GLN 97 HG1 GLN 97 18.208 1.873 -3.422 482 HE21 GLN 97 HE21 GLN 97 20.523 1.311 -5.027 483 HE22 GLN 97 HE22 GLN 97 19.962 1.088 -6.643 484 H LEU 98 HN LEU 98 15.437 5.055 -2.884 485 HA LEU 98 HA LEU 98 15.865 7.798 -3.502 486 HB2 LEU 98 HB2 LEU 98 13.464 6.075 -3.289 487 HB3 LEU 98 HB1 LEU 98 13.381 7.751 -3.799 488 HG LEU 98 HG LEU 98 15.135 5.747 -5.233 489 HD11 LEU 98 HD11 LEU 98 13.332 5.550 -6.865 490 HD12 LEU 98 HD12 LEU 98 12.273 6.445 -5.753 491 HD13 LEU 98 HD13 LEU 98 12.940 4.871 -5.288 492 HD21 LEU 98 HD21 LEU 98 14.805 7.319 -7.089 493 HD22 LEU 98 HD22 LEU 98 15.611 8.061 -5.694 494 HD23 LEU 98 HD23 LEU 98 13.890 8.356 -5.993 495 H PHE 99 HN PHE 99 14.234 6.068 -0.797 496 HA PHE 99 HA PHE 99 13.862 8.701 0.390 497 HB2 PHE 99 HB2 PHE 99 12.490 6.122 0.746 498 HB3 PHE 99 HB1 PHE 99 12.340 7.301 2.052 499 HD1 PHE 99 HD1 PHE 99 12.366 9.548 -0.398 500 HD2 PHE 99 HD2 PHE 99 10.108 6.055 0.564 501 HE1 PHE 99 HE1 PHE 99 10.477 10.382 -1.718 502 HE2 PHE 99 HE2 PHE 99 8.248 6.906 -0.770 503 HZ PHE 99 HZ PHE 99 8.453 9.091 -1.915 504 H LYS 100 HN LYS 100 15.677 5.860 0.822 505 HA LYS 100 HA LYS 100 17.377 5.308 2.141 506 HB2 LYS 100 HB2 LYS 100 17.387 8.240 2.823 507 HB3 LYS 100 HB1 LYS 100 18.692 7.093 3.119 508 HG2 LYS 100 HG2 LYS 100 19.079 6.790 0.783 509 HG3 LYS 100 HG1 LYS 100 17.627 7.694 0.367 510 HD2 LYS 100 HD2 LYS 100 20.059 8.838 1.743 511 HD3 LYS 100 HD1 LYS 100 19.694 8.989 0.024 512 HE2 LYS 100 HE2 LYS 100 18.025 10.067 2.307 513 HE3 LYS 100 HE1 LYS 100 19.044 10.999 1.222 514 HZ1 LYS 100 HZ1 LYS 100 17.618 10.338 -0.631 515 HZ2 LYS 100 HZ2 LYS 100 16.751 11.140 0.562 516 HZ3 LYS 100 HZ3 LYS 100 16.609 9.486 0.420 517 H SER 101 HN SER 101 14.828 4.957 3.205 518 HA SER 101 HA SER 101 15.216 5.627 6.012 519 HB2 SER 101 HB2 SER 101 13.125 6.503 5.176 520 HB3 SER 101 HB1 SER 101 12.659 4.924 4.557 521 HG SER 101 HG SER 101 11.914 5.811 6.767 522 H LYS 102 HN LYS 102 13.293 2.912 4.744 523 HA LYS 102 HA LYS 102 14.685 1.281 6.694 524 HB2 LYS 102 HB2 LYS 102 12.075 0.808 5.267 525 HB3 LYS 102 HB1 LYS 102 12.838 -0.376 6.310 526 HG2 LYS 102 HG2 LYS 102 11.984 2.372 7.205 527 HG3 LYS 102 HG1 LYS 102 10.999 0.918 7.374 528 HD2 LYS 102 HD2 LYS 102 12.826 -0.106 8.710 529 HD3 LYS 102 HD1 LYS 102 13.707 1.417 8.612 530 HE2 LYS 102 HE2 LYS 102 11.925 2.562 9.784 531 HE3 LYS 102 HE1 LYS 102 10.952 1.091 9.801 532 HZ1 LYS 102 HZ1 LYS 102 12.040 1.398 11.916 533 HZ2 LYS 102 HZ2 LYS 102 13.547 1.493 11.190 534 HZ3 LYS 102 HZ3 LYS 102 12.687 0.049 11.155 535 H GLY 103 HN GLY 103 13.125 -0.278 3.906 536 HA2 GLY 103 HA2 GLY 103 14.016 -1.688 2.382 537 HA3 GLY 103 HA1 GLY 103 15.548 -0.853 2.631 538 H ASN 104 HN ASN 104 13.737 -2.367 5.138 539 HA ASN 104 HA ASN 104 16.005 -4.171 5.569 540 HB2 ASN 104 HB2 ASN 104 14.232 -2.721 7.531 541 HB3 ASN 104 HB1 ASN 104 15.274 -4.055 7.996 542 HD21 ASN 104 HD21 ASN 104 17.491 -3.760 7.928 543 HD22 ASN 104 HD22 ASN 104 18.209 -2.187 7.918 544 H TYR 105 HN TYR 105 15.186 -5.959 7.135 545 HA TYR 105 HA TYR 105 12.995 -7.195 5.743 546 HB2 TYR 105 HB2 TYR 105 14.951 -8.267 7.777 547 HB3 TYR 105 HB1 TYR 105 13.663 -9.229 7.046 548 HD1 TYR 105 HD2 TYR 105 13.686 -9.668 4.617 549 HD2 TYR 105 HD1 TYR 105 16.957 -7.779 6.562 550 HE1 TYR 105 HE2 TYR 105 15.102 -10.140 2.673 551 HE2 TYR 105 HE1 TYR 105 18.382 -8.237 4.620 552 HH TYR 105 HH TYR 105 17.058 -9.415 1.662 553 H ASP 106 HN ASP 106 12.015 -5.195 6.921 554 HA ASP 106 HA ASP 106 10.879 -5.858 9.458 555 HB2 ASP 106 HB2 ASP 106 9.550 -3.737 9.128 556 HB3 ASP 106 HB1 ASP 106 11.289 -3.496 9.036 557 H GLU 107 HN GLU 107 10.128 -7.857 8.776 558 HA GLU 107 HA GLU 107 7.688 -7.748 7.228 559 HB2 GLU 107 HB2 GLU 107 7.904 -10.276 7.164 560 HB3 GLU 107 HB1 GLU 107 9.151 -9.402 6.298 561 HG2 GLU 107 HG2 GLU 107 10.668 -9.753 8.231 562 HG3 GLU 107 HG1 GLU 107 9.398 -10.702 9.001 Start of MODEL 5 1 H1 ARG 36 HT1 ARG 36 -14.434 -0.995 7.277 2 H2 ARG 36 HT2 ARG 36 -14.258 -2.304 8.324 3 H3 ARG 36 HT3 ARG 36 -14.634 -0.791 8.953 4 HA ARG 36 HA ARG 36 -16.540 -2.255 8.928 5 HB2 ARG 36 HB2 ARG 36 -16.742 -0.128 6.776 6 HB3 ARG 36 HB1 ARG 36 -18.089 -0.839 7.643 7 HG2 ARG 36 HG2 ARG 36 -15.940 0.918 8.832 8 HG3 ARG 36 HG1 ARG 36 -17.582 1.409 8.444 9 HD2 ARG 36 HD2 ARG 36 -18.444 -0.226 10.079 10 HD3 ARG 36 HD1 ARG 36 -16.779 -0.683 10.450 11 HE ARG 36 HE ARG 36 -17.375 2.110 10.760 12 HH11 ARG 36 HH11 ARG 36 -17.204 -1.007 12.405 13 HH12 ARG 36 HH12 ARG 36 -17.123 -0.327 13.971 14 HH21 ARG 36 HH21 ARG 36 -17.216 3.010 12.857 15 HH22 ARG 36 HH22 ARG 36 -17.094 2.008 14.248 16 H ALA 37 HN ALA 37 -17.593 -3.930 7.908 17 HA ALA 37 HA ALA 37 -16.731 -4.502 5.151 18 HB1 ALA 37 HB1 ALA 37 -17.048 -6.869 5.631 19 HB2 ALA 37 HB2 ALA 37 -17.573 -6.482 7.269 20 HB3 ALA 37 HB3 ALA 37 -15.913 -6.152 6.773 21 H GLN 38 HN GLN 38 -19.282 -3.477 6.952 22 HA GLN 38 HA GLN 38 -21.235 -4.551 5.032 23 HB2 GLN 38 HB2 GLN 38 -21.658 -3.272 7.744 24 HB3 GLN 38 HB1 GLN 38 -22.947 -3.807 6.680 25 HG2 GLN 38 HG2 GLN 38 -22.160 -6.100 6.859 26 HG3 GLN 38 HG1 GLN 38 -20.840 -5.576 7.904 27 HE21 GLN 38 HE21 GLN 38 -22.965 -7.466 8.427 28 HE22 GLN 38 HE22 GLN 38 -23.821 -6.876 9.809 29 H VAL 39 HN VAL 39 -19.270 -2.061 5.499 30 HA VAL 39 HA VAL 39 -21.041 -0.081 4.247 31 HB VAL 39 HB VAL 39 -18.768 0.568 6.175 32 HG11 VAL 39 HG11 VAL 39 -20.968 2.310 5.091 33 HG12 VAL 39 HG12 VAL 39 -19.273 2.343 4.611 34 HG13 VAL 39 HG13 VAL 39 -19.735 2.811 6.249 35 HG21 VAL 39 HG21 VAL 39 -20.419 1.125 7.881 36 HG22 VAL 39 HG22 VAL 39 -20.550 -0.578 7.427 37 HG23 VAL 39 HG23 VAL 39 -21.709 0.598 6.804 38 H LYS 40 HN LYS 40 -19.778 1.339 2.842 39 HA LYS 40 HA LYS 40 -17.729 -0.081 1.414 40 HB2 LYS 40 HB2 LYS 40 -18.968 2.632 0.916 41 HB3 LYS 40 HB1 LYS 40 -17.956 1.737 -0.201 42 HG2 LYS 40 HG2 LYS 40 -19.654 0.042 -0.461 43 HG3 LYS 40 HG1 LYS 40 -20.653 0.814 0.770 44 HD2 LYS 40 HD2 LYS 40 -20.780 2.836 -0.667 45 HD3 LYS 40 HD1 LYS 40 -19.867 1.977 -1.903 46 HE2 LYS 40 HE2 LYS 40 -21.606 0.319 -2.097 47 HE3 LYS 40 HE1 LYS 40 -22.517 1.069 -0.786 48 HZ1 LYS 40 HZ1 LYS 40 -21.905 2.338 -3.406 49 HZ2 LYS 40 HZ2 LYS 40 -22.851 3.007 -2.167 50 HZ3 LYS 40 HZ3 LYS 40 -23.368 1.629 -2.971 51 H GLU 41 HN GLU 41 -15.676 0.590 1.316 52 HA GLU 41 HA GLU 41 -14.774 2.542 3.338 53 HB2 GLU 41 HB2 GLU 41 -13.476 0.073 2.214 54 HB3 GLU 41 HB1 GLU 41 -12.838 1.092 3.498 55 HG2 GLU 41 HG2 GLU 41 -15.532 0.091 3.857 56 HG3 GLU 41 HG1 GLU 41 -14.312 -1.142 3.923 57 H THR 42 HN THR 42 -12.777 3.686 2.632 58 HA THR 42 HA THR 42 -12.691 3.642 -0.286 59 HB THR 42 HB THR 42 -11.543 6.084 0.834 60 HG1 THR 42 HG1 THR 42 -13.941 5.160 1.767 61 HG21 THR 42 HG21 THR 42 -12.978 7.067 -0.933 62 HG22 THR 42 HG22 THR 42 -13.696 5.471 -1.189 63 HG23 THR 42 HG23 THR 42 -11.985 5.732 -1.530 64 H CYS 43 HN CYS 43 -10.660 3.672 -1.274 65 HA CYS 43 HA CYS 43 -8.635 2.452 0.332 66 HB2 CYS 43 HB2 CYS 43 -8.877 1.206 -1.468 67 HB3 CYS 43 HB1 CYS 43 -9.446 2.524 -2.442 68 H ALA 44 HN ALA 44 -6.563 3.161 0.509 69 HA ALA 44 HA ALA 44 -6.187 6.016 0.020 70 HB1 ALA 44 HB1 ALA 44 -4.555 4.154 1.690 71 HB2 ALA 44 HB2 ALA 44 -5.899 5.180 2.248 72 HB3 ALA 44 HB3 ALA 44 -4.438 5.917 1.568 73 H ALA 45 HN ALA 45 -5.207 3.027 -1.339 74 HA ALA 45 HA ALA 45 -2.611 4.057 -2.114 75 HB1 ALA 45 HB1 ALA 45 -2.161 1.826 -2.924 76 HB2 ALA 45 HB2 ALA 45 -3.844 1.362 -2.652 77 HB3 ALA 45 HB3 ALA 45 -2.806 1.772 -1.278 78 H CYS 46 HN CYS 46 -5.728 3.439 -3.452 79 HA CYS 46 HA CYS 46 -4.824 4.760 -5.882 80 HB2 CYS 46 HB2 CYS 46 -5.266 2.818 -7.291 81 HB3 CYS 46 HB1 CYS 46 -5.100 2.275 -5.809 82 H GLN 47 HN GLN 47 -6.728 4.980 -3.341 83 HA GLN 47 HA GLN 47 -8.558 5.918 -2.696 84 HB2 GLN 47 HB2 GLN 47 -7.859 7.864 -4.864 85 HB3 GLN 47 HB1 GLN 47 -9.012 8.070 -3.522 86 HG2 GLN 47 HG2 GLN 47 -7.373 7.904 -1.895 87 HG3 GLN 47 HG1 GLN 47 -6.181 7.310 -3.039 88 HE21 GLN 47 HE21 GLN 47 -5.165 8.792 -4.376 89 HE22 GLN 47 HE22 GLN 47 -5.180 10.484 -4.091 90 H LYS 48 HN LYS 48 -9.351 3.876 -4.131 91 HA LYS 48 HA LYS 48 -11.823 4.757 -5.425 92 HB2 LYS 48 HB2 LYS 48 -10.211 2.218 -5.761 93 HB3 LYS 48 HB1 LYS 48 -11.775 2.511 -6.507 94 HG2 LYS 48 HG2 LYS 48 -9.229 4.039 -7.006 95 HG3 LYS 48 HG1 LYS 48 -9.921 2.820 -8.062 96 HD2 LYS 48 HD2 LYS 48 -11.165 5.438 -7.274 97 HD3 LYS 48 HD1 LYS 48 -10.411 5.119 -8.835 98 HE2 LYS 48 HE2 LYS 48 -12.897 3.773 -7.730 99 HE3 LYS 48 HE1 LYS 48 -12.858 4.972 -9.016 100 HZ1 LYS 48 HZ1 LYS 48 -11.630 2.264 -9.151 101 HZ2 LYS 48 HZ2 LYS 48 -11.620 3.395 -10.383 102 HZ3 LYS 48 HZ3 LYS 48 -13.075 2.728 -9.861 103 H THR 49 HN THR 49 -13.678 3.517 -4.774 104 HA THR 49 HA THR 49 -13.691 2.950 -2.030 105 HB THR 49 HB THR 49 -15.742 1.994 -3.935 106 HG1 THR 49 HG1 THR 49 -16.088 4.563 -2.961 107 HG21 THR 49 HG21 THR 49 -16.138 1.488 -1.634 108 HG22 THR 49 HG22 THR 49 -17.208 2.850 -2.036 109 HG23 THR 49 HG23 THR 49 -15.666 3.124 -1.184 110 H VAL 50 HN VAL 50 -13.424 1.109 -0.952 111 HA VAL 50 HA VAL 50 -12.686 -1.256 -2.474 112 HB VAL 50 HB VAL 50 -12.300 -1.494 0.443 113 HG11 VAL 50 HG11 VAL 50 -10.603 -1.886 -1.964 114 HG12 VAL 50 HG12 VAL 50 -11.471 -3.111 -1.033 115 HG13 VAL 50 HG13 VAL 50 -10.116 -2.225 -0.314 116 HG21 VAL 50 HG21 VAL 50 -10.314 -0.002 0.460 117 HG22 VAL 50 HG22 VAL 50 -11.827 0.890 0.233 118 HG23 VAL 50 HG23 VAL 50 -10.793 0.556 -1.156 119 H TYR 51 HN TYR 51 -13.857 -3.076 -2.225 120 HA TYR 51 HA TYR 51 -16.250 -2.883 -0.563 121 HB2 TYR 51 HB2 TYR 51 -15.800 -4.635 -3.004 122 HB3 TYR 51 HB1 TYR 51 -17.335 -4.240 -2.231 123 HD1 TYR 51 HD1 TYR 51 -17.897 -1.762 -2.164 124 HD2 TYR 51 HD2 TYR 51 -15.122 -3.426 -4.855 125 HE1 TYR 51 HE1 TYR 51 -18.175 0.225 -3.643 126 HE2 TYR 51 HE2 TYR 51 -15.347 -1.493 -6.347 127 HH TYR 51 HH TYR 51 -16.787 0.313 -6.829 128 HA PRO 52 HA PRO 52 -14.951 -6.015 2.206 129 HB2 PRO 52 HB2 PRO 52 -16.960 -7.866 1.124 130 HB3 PRO 52 HB1 PRO 52 -16.637 -7.442 2.809 131 HG2 PRO 52 HG2 PRO 52 -18.737 -6.400 1.558 132 HG3 PRO 52 HG1 PRO 52 -17.756 -5.401 2.644 133 HD2 PRO 52 HD2 PRO 52 -17.897 -5.404 -0.321 134 HD3 PRO 52 HD1 PRO 52 -17.555 -4.068 0.794 135 H MET 53 HN MET 53 -15.555 -7.416 -0.980 136 HA MET 53 HA MET 53 -13.986 -9.756 -0.691 137 HB2 MET 53 HB2 MET 53 -15.673 -9.499 -2.387 138 HB3 MET 53 HB1 MET 53 -14.747 -8.218 -3.163 139 HG2 MET 53 HG2 MET 53 -12.932 -9.903 -3.497 140 HG3 MET 53 HG1 MET 53 -14.066 -11.126 -2.941 141 HE1 MET 53 HE1 MET 53 -13.961 -11.768 -6.810 142 HE2 MET 53 HE2 MET 53 -13.779 -12.491 -5.215 143 HE3 MET 53 HE3 MET 53 -12.624 -11.277 -5.768 144 H GLU 54 HN GLU 54 -13.146 -6.477 -1.588 145 HA GLU 54 HA GLU 54 -10.439 -7.342 -2.276 146 HB2 GLU 54 HB2 GLU 54 -11.943 -4.850 -2.997 147 HB3 GLU 54 HB1 GLU 54 -10.301 -5.223 -3.500 148 HG2 GLU 54 HG2 GLU 54 -11.195 -7.291 -4.556 149 HG3 GLU 54 HG1 GLU 54 -12.800 -6.712 -4.191 150 H ARG 55 HN ARG 55 -12.267 -5.726 0.057 151 HA ARG 55 HA ARG 55 -10.409 -3.784 0.821 152 HB2 ARG 55 HB2 ARG 55 -12.567 -3.300 1.479 153 HB3 ARG 55 HB1 ARG 55 -12.852 -4.851 2.172 154 HG2 ARG 55 HG2 ARG 55 -10.958 -4.087 3.818 155 HG3 ARG 55 HG1 ARG 55 -11.365 -2.492 3.187 156 HD2 ARG 55 HD2 ARG 55 -13.739 -2.957 3.777 157 HD3 ARG 55 HD1 ARG 55 -13.195 -4.432 4.556 158 HE ARG 55 HE ARG 55 -12.669 -1.702 5.432 159 HH11 ARG 55 HH11 ARG 55 -12.413 -5.171 6.106 160 HH12 ARG 55 HH12 ARG 55 -11.872 -4.961 7.694 161 HH21 ARG 55 HH21 ARG 55 -11.915 -1.404 7.549 162 HH22 ARG 55 HH22 ARG 55 -11.549 -2.757 8.552 163 H LEU 56 HN LEU 56 -8.574 -4.198 1.289 164 HA LEU 56 HA LEU 56 -7.876 -6.072 3.404 165 HB2 LEU 56 HB2 LEU 56 -6.878 -6.618 1.247 166 HB3 LEU 56 HB1 LEU 56 -6.393 -4.963 1.008 167 HG LEU 56 HG LEU 56 -5.179 -6.530 3.271 168 HD11 LEU 56 HD11 LEU 56 -4.346 -6.548 0.384 169 HD12 LEU 56 HD12 LEU 56 -5.051 -7.930 1.237 170 HD13 LEU 56 HD13 LEU 56 -3.475 -7.288 1.719 171 HD21 LEU 56 HD21 LEU 56 -3.285 -5.081 2.803 172 HD22 LEU 56 HD22 LEU 56 -4.738 -4.104 2.999 173 HD23 LEU 56 HD23 LEU 56 -4.106 -4.427 1.385 174 H VAL 57 HN VAL 57 -6.187 -5.183 4.827 175 HA VAL 57 HA VAL 57 -6.080 -2.311 4.758 176 HB VAL 57 HB VAL 57 -7.854 -2.649 6.296 177 HG11 VAL 57 HG11 VAL 57 -7.637 -4.968 6.780 178 HG12 VAL 57 HG12 VAL 57 -7.689 -4.067 8.298 179 HG13 VAL 57 HG13 VAL 57 -6.150 -4.689 7.684 180 HG21 VAL 57 HG21 VAL 57 -6.286 -0.974 7.006 181 HG22 VAL 57 HG22 VAL 57 -5.311 -2.184 7.821 182 HG23 VAL 57 HG23 VAL 57 -6.931 -1.805 8.425 183 H ALA 58 HN ALA 58 -4.057 -1.811 4.543 184 HA ALA 58 HA ALA 58 -2.064 -3.442 5.994 185 HB1 ALA 58 HB1 ALA 58 -0.381 -2.649 4.329 186 HB2 ALA 58 HB2 ALA 58 -1.572 -1.634 3.577 187 HB3 ALA 58 HB3 ALA 58 -1.729 -3.379 3.467 188 H ASP 59 HN ASP 59 -0.825 -2.387 7.476 189 HA ASP 59 HA ASP 59 -0.481 -0.868 9.134 190 HB2 ASP 59 HB2 ASP 59 -0.093 1.452 7.393 191 HB3 ASP 59 HB1 ASP 59 0.849 0.743 8.643 192 H LYS 60 HN LYS 60 -3.112 -1.113 8.653 193 HA LYS 60 HA LYS 60 -5.078 -0.365 9.333 194 HB2 LYS 60 HB2 LYS 60 -3.719 0.725 11.194 195 HB3 LYS 60 HB1 LYS 60 -3.834 2.198 10.234 196 HG2 LYS 60 HG2 LYS 60 -6.189 2.321 10.509 197 HG3 LYS 60 HG1 LYS 60 -6.260 0.690 11.171 198 HD2 LYS 60 HD2 LYS 60 -6.498 2.242 12.988 199 HD3 LYS 60 HD1 LYS 60 -4.915 1.493 13.113 200 HE2 LYS 60 HE2 LYS 60 -4.711 3.845 13.572 201 HE3 LYS 60 HE1 LYS 60 -3.930 3.497 12.034 202 HZ1 LYS 60 HZ1 LYS 60 -5.262 5.512 11.985 203 HZ2 LYS 60 HZ2 LYS 60 -6.665 4.651 12.328 204 HZ3 LYS 60 HZ3 LYS 60 -5.842 4.394 10.880 205 H LEU 61 HN LEU 61 -3.438 1.013 6.859 206 HA LEU 61 HA LEU 61 -5.491 2.828 5.943 207 HB2 LEU 61 HB2 LEU 61 -3.300 1.457 4.464 208 HB3 LEU 61 HB1 LEU 61 -4.236 2.813 3.872 209 HG LEU 61 HG LEU 61 -2.331 2.925 6.216 210 HD11 LEU 61 HD11 LEU 61 -1.195 2.549 4.068 211 HD12 LEU 61 HD12 LEU 61 -0.864 4.150 4.732 212 HD13 LEU 61 HD13 LEU 61 -2.019 3.965 3.410 213 HD21 LEU 61 HD21 LEU 61 -3.812 5.088 4.726 214 HD22 LEU 61 HD22 LEU 61 -2.616 5.343 5.994 215 HD23 LEU 61 HD23 LEU 61 -4.144 4.543 6.372 216 H ILE 62 HN ILE 62 -7.241 2.278 4.652 217 HA ILE 62 HA ILE 62 -7.634 -0.591 4.298 218 HB ILE 62 HB ILE 62 -9.668 1.612 3.827 219 HG12 ILE 62 HG12 ILE 62 -8.866 1.714 6.175 220 HG13 ILE 62 HG11 ILE 62 -10.563 1.277 6.049 221 HG21 ILE 62 HG21 ILE 62 -10.145 -0.538 2.843 222 HG22 ILE 62 HG22 ILE 62 -11.249 -0.202 4.208 223 HG23 ILE 62 HG23 ILE 62 -9.869 -1.287 4.420 224 HD11 ILE 62 HD11 ILE 62 -9.446 -0.005 7.774 225 HD12 ILE 62 HD12 ILE 62 -8.265 -0.577 6.595 226 HD13 ILE 62 HD13 ILE 62 -9.953 -1.063 6.454 227 H PHE 63 HN PHE 63 -7.329 -1.414 2.320 228 HA PHE 63 HA PHE 63 -8.234 -0.126 0.055 229 HB2 PHE 63 HB2 PHE 63 -6.072 0.143 -1.243 230 HB3 PHE 63 HB1 PHE 63 -6.459 1.227 0.084 231 HD1 PHE 63 HD2 PHE 63 -4.745 -2.113 0.365 232 HD2 PHE 63 HD1 PHE 63 -4.675 2.117 0.757 233 HE1 PHE 63 HE2 PHE 63 -2.565 -2.225 1.459 234 HE2 PHE 63 HE1 PHE 63 -2.527 1.990 1.819 235 HZ PHE 63 HZ PHE 63 -1.437 -0.117 2.185 236 H HIS 64 HN HIS 64 -7.651 -1.070 -2.017 237 HA HIS 64 HA HIS 64 -8.368 -3.782 -2.096 238 HB2 HIS 64 HB2 HIS 64 -7.022 -2.122 -4.250 239 HB3 HIS 64 HB1 HIS 64 -8.023 -3.547 -4.490 240 HD2 HIS 64 HD2 HIS 64 -10.690 -3.061 -4.566 241 HE1 HIS 64 HE1 HIS 64 -10.391 1.139 -4.100 242 HE2 HIS 64 HE2 HIS 64 -11.974 -0.767 -4.556 243 H ASN 65 HN ASN 65 -7.089 -5.541 -2.251 244 HA ASN 65 HA ASN 65 -4.455 -5.482 -1.446 245 HB2 ASN 65 HB2 ASN 65 -4.489 -7.902 -2.089 246 HB3 ASN 65 HB1 ASN 65 -5.713 -7.410 -0.932 247 HD21 ASN 65 HD21 ASN 65 -7.868 -7.545 -1.496 248 HD22 ASN 65 HD22 ASN 65 -8.401 -8.310 -2.940 249 H SER 66 HN SER 66 -5.848 -5.468 -4.638 250 HA SER 66 HA SER 66 -3.455 -6.193 -5.997 251 HB2 SER 66 HB2 SER 66 -4.755 -5.621 -7.984 252 HB3 SER 66 HB1 SER 66 -5.543 -6.793 -6.930 253 HG SER 66 HG SER 66 -7.075 -5.397 -6.466 254 H CYS 67 HN CYS 67 -4.205 -3.151 -4.559 255 HA CYS 67 HA CYS 67 -3.285 -1.828 -6.998 256 HB2 CYS 67 HB2 CYS 67 -4.224 0.279 -6.001 257 HB3 CYS 67 HB1 CYS 67 -5.379 -0.959 -6.537 258 H PHE 68 HN PHE 68 -2.082 -2.250 -3.779 259 HA PHE 68 HA PHE 68 -0.631 0.183 -4.158 260 HB2 PHE 68 HB2 PHE 68 0.494 -0.397 -1.981 261 HB3 PHE 68 HB1 PHE 68 -1.207 0.120 -1.861 262 HD1 PHE 68 HD2 PHE 68 -2.545 -2.488 -2.143 263 HD2 PHE 68 HD1 PHE 68 1.157 -1.506 -0.356 264 HE1 PHE 68 HE2 PHE 68 -2.774 -4.433 -0.616 265 HE2 PHE 68 HE1 PHE 68 0.952 -3.427 1.180 266 HZ PHE 68 HZ PHE 68 -0.971 -4.888 1.055 267 H CYS 69 HN CYS 69 0.643 0.052 -5.655 268 HA CYS 69 HA CYS 69 2.851 -1.855 -5.572 269 HB2 CYS 69 HB2 CYS 69 2.044 -0.069 -7.903 270 HB3 CYS 69 HB1 CYS 69 3.168 -1.394 -7.872 271 HG CYS 69 HG CYS 69 -0.169 -1.832 -7.350 272 H CYS 70 HN CYS 70 4.916 -0.747 -6.374 273 HA CYS 70 HA CYS 70 5.440 1.475 -4.697 274 HB2 CYS 70 HB2 CYS 70 7.151 -0.034 -4.957 275 HB3 CYS 70 HB1 CYS 70 7.070 -0.034 -6.723 276 H LYS 71 HN LYS 71 5.698 3.451 -5.154 277 HA LYS 71 HA LYS 71 4.315 4.507 -7.407 278 HB2 LYS 71 HB2 LYS 71 4.354 5.457 -5.022 279 HB3 LYS 71 HB1 LYS 71 5.928 6.070 -5.472 280 HG2 LYS 71 HG2 LYS 71 4.520 7.935 -5.855 281 HG3 LYS 71 HG1 LYS 71 4.765 7.204 -7.419 282 HD2 LYS 71 HD2 LYS 71 2.352 6.625 -5.727 283 HD3 LYS 71 HD1 LYS 71 2.417 7.976 -6.860 284 HE2 LYS 71 HE2 LYS 71 3.096 6.272 -8.534 285 HE3 LYS 71 HE1 LYS 71 2.535 5.035 -7.399 286 HZ1 LYS 71 HZ1 LYS 71 0.341 6.118 -7.367 287 HZ2 LYS 71 HZ2 LYS 71 0.730 5.554 -8.904 288 HZ3 LYS 71 HZ3 LYS 71 0.860 7.198 -8.552 289 H HIS 72 HN HIS 72 7.618 3.845 -6.743 290 HA HIS 72 HA HIS 72 8.452 5.652 -8.871 291 HB2 HIS 72 HB2 HIS 72 9.718 5.481 -6.699 292 HB3 HIS 72 HB1 HIS 72 10.246 3.880 -7.205 293 HD2 HIS 72 HD2 HIS 72 12.101 3.879 -9.360 294 HE1 HIS 72 HE1 HIS 72 12.987 7.988 -8.939 295 HE2 HIS 72 HE2 HIS 72 13.494 5.889 -10.222 296 H CYS 73 HN CYS 73 8.038 2.195 -8.243 297 HA CYS 73 HA CYS 73 8.434 1.781 -11.047 298 HB2 CYS 73 HB2 CYS 73 9.795 -0.170 -10.730 299 HB3 CYS 73 HB1 CYS 73 10.410 1.128 -9.777 300 H HIS 74 HN HIS 74 6.643 0.334 -11.750 301 HA HIS 74 HA HIS 74 4.769 -0.097 -9.563 302 HB2 HIS 74 HB2 HIS 74 3.047 -0.738 -11.207 303 HB3 HIS 74 HB1 HIS 74 3.680 0.878 -11.440 304 HD1 HIS 74 HD1 HIS 74 4.242 1.436 -13.784 305 HD2 HIS 74 HD2 HIS 74 4.115 -2.666 -13.195 306 HE1 HIS 74 HE1 HIS 74 4.474 0.427 -16.064 307 HE2 HIS 74 HE2 HIS 74 4.070 -2.036 -15.678 308 H THR 75 HN THR 75 6.461 -1.538 -8.835 309 HA THR 75 HA THR 75 6.100 -4.262 -9.703 310 HB THR 75 HB THR 75 8.352 -3.497 -8.893 311 HG1 THR 75 HG1 THR 75 7.478 -5.757 -8.606 312 HG21 THR 75 HG21 THR 75 8.745 -3.204 -6.473 313 HG22 THR 75 HG22 THR 75 7.008 -3.338 -6.189 314 HG23 THR 75 HG23 THR 75 7.648 -1.982 -7.115 315 H LYS 76 HN LYS 76 4.793 -5.723 -8.738 316 HA LYS 76 HA LYS 76 2.700 -4.682 -7.074 317 HB2 LYS 76 HB2 LYS 76 2.455 -6.400 -8.985 318 HB3 LYS 76 HB1 LYS 76 3.156 -7.557 -7.869 319 HG2 LYS 76 HG2 LYS 76 0.595 -6.071 -7.263 320 HG3 LYS 76 HG1 LYS 76 0.618 -7.587 -8.149 321 HD2 LYS 76 HD2 LYS 76 1.710 -7.201 -5.356 322 HD3 LYS 76 HD1 LYS 76 0.107 -7.837 -5.726 323 HE2 LYS 76 HE2 LYS 76 1.113 -9.736 -6.890 324 HE3 LYS 76 HE1 LYS 76 2.723 -9.077 -6.610 325 HZ1 LYS 76 HZ1 LYS 76 2.155 -10.827 -5.036 326 HZ2 LYS 76 HZ2 LYS 76 0.857 -9.915 -4.454 327 HZ3 LYS 76 HZ3 LYS 76 2.437 -9.361 -4.277 328 H LEU 77 HN LEU 77 3.944 -4.100 -5.355 329 HA LEU 77 HA LEU 77 5.258 -6.066 -3.700 330 HB2 LEU 77 HB2 LEU 77 6.049 -4.132 -2.391 331 HB3 LEU 77 HB1 LEU 77 6.240 -3.964 -4.132 332 HG LEU 77 HG LEU 77 4.297 -2.499 -4.280 333 HD11 LEU 77 HD11 LEU 77 3.474 -1.317 -2.365 334 HD12 LEU 77 HD12 LEU 77 4.565 -2.219 -1.327 335 HD13 LEU 77 HD13 LEU 77 3.205 -3.056 -2.084 336 HD21 LEU 77 HD21 LEU 77 5.484 -0.606 -3.599 337 HD22 LEU 77 HD22 LEU 77 6.635 -1.828 -4.195 338 HD23 LEU 77 HD23 LEU 77 6.419 -1.560 -2.468 339 H SER 78 HN SER 78 2.219 -5.194 -4.105 340 HA SER 78 HA SER 78 1.023 -4.687 -1.730 341 HB2 SER 78 HB2 SER 78 0.035 -6.609 -3.697 342 HB3 SER 78 HB1 SER 78 -0.888 -5.402 -2.802 343 HG SER 78 HG SER 78 0.520 -3.823 -4.026 344 H LEU 79 HN LEU 79 0.553 -5.803 -0.044 345 HA LEU 79 HA LEU 79 0.935 -7.272 1.629 346 HB2 LEU 79 HB2 LEU 79 -1.304 -7.542 0.206 347 HB3 LEU 79 HB1 LEU 79 -0.739 -9.204 0.286 348 HG LEU 79 HG LEU 79 -2.313 -8.720 2.126 349 HD11 LEU 79 HD11 LEU 79 -0.559 -10.333 2.422 350 HD12 LEU 79 HD12 LEU 79 -0.978 -9.502 3.942 351 HD13 LEU 79 HD13 LEU 79 0.488 -9.044 3.037 352 HD21 LEU 79 HD21 LEU 79 -0.246 -6.736 3.090 353 HD22 LEU 79 HD22 LEU 79 -1.774 -7.149 3.864 354 HD23 LEU 79 HD23 LEU 79 -1.766 -6.305 2.324 355 H GLY 80 HN GLY 80 3.124 -7.732 1.304 356 HA2 GLY 80 HA2 GLY 80 3.641 -10.468 1.606 357 HA3 GLY 80 HA1 GLY 80 4.158 -9.963 -0.005 358 H SER 81 HN SER 81 5.242 -7.815 0.047 359 HA SER 81 HA SER 81 6.745 -7.216 2.413 360 HB2 SER 81 HB2 SER 81 8.965 -7.369 1.176 361 HB3 SER 81 HB1 SER 81 8.168 -8.913 1.481 362 HG SER 81 HG SER 81 7.260 -8.585 -0.698 363 H TYR 82 HN TYR 82 6.366 -5.080 2.565 364 HA TYR 82 HA TYR 82 6.541 -3.505 0.150 365 HB2 TYR 82 HB2 TYR 82 4.316 -2.484 0.508 366 HB3 TYR 82 HB1 TYR 82 4.207 -4.193 0.234 367 HD1 TYR 82 HD1 TYR 82 4.422 -1.812 3.070 368 HD2 TYR 82 HD2 TYR 82 2.715 -5.416 1.607 369 HE1 TYR 82 HE1 TYR 82 3.032 -1.940 5.071 370 HE2 TYR 82 HE2 TYR 82 1.326 -5.587 3.610 371 HH TYR 82 HH TYR 82 1.240 -2.911 5.945 372 H ALA 83 HN ALA 83 6.450 -1.213 0.656 373 HA ALA 83 HA ALA 83 6.993 -0.550 3.424 374 HB1 ALA 83 HB1 ALA 83 8.580 0.386 1.022 375 HB2 ALA 83 HB2 ALA 83 9.163 -0.678 2.304 376 HB3 ALA 83 HB3 ALA 83 8.757 0.998 2.668 377 H ALA 84 HN ALA 84 5.923 1.310 3.979 378 HA ALA 84 HA ALA 84 4.599 2.672 1.770 379 HB1 ALA 84 HB1 ALA 84 3.264 1.854 4.338 380 HB2 ALA 84 HB2 ALA 84 3.039 1.110 2.752 381 HB3 ALA 84 HB3 ALA 84 2.543 2.782 3.013 382 H LEU 85 HN LEU 85 4.493 4.868 1.929 383 HA LEU 85 HA LEU 85 5.205 6.040 4.479 384 HB2 LEU 85 HB2 LEU 85 7.121 6.144 3.042 385 HB3 LEU 85 HB1 LEU 85 6.219 6.893 1.726 386 HG LEU 85 HG LEU 85 5.801 8.694 3.590 387 HD11 LEU 85 HD11 LEU 85 6.816 7.394 5.366 388 HD12 LEU 85 HD12 LEU 85 7.577 8.963 5.077 389 HD13 LEU 85 HD13 LEU 85 8.359 7.473 4.473 390 HD21 LEU 85 HD21 LEU 85 7.783 9.902 2.936 391 HD22 LEU 85 HD22 LEU 85 6.998 9.153 1.535 392 HD23 LEU 85 HD23 LEU 85 8.462 8.439 2.222 393 H HIS 86 HN HIS 86 4.164 7.964 4.774 394 HA HIS 86 HA HIS 86 1.657 8.474 3.806 395 HB2 HIS 86 HB2 HIS 86 2.198 10.942 4.452 396 HB3 HIS 86 HB1 HIS 86 2.251 9.715 5.709 397 HD1 HIS 86 HD1 HIS 86 4.335 9.664 7.080 398 HD2 HIS 86 HD2 HIS 86 5.016 11.544 3.447 399 HE1 HIS 86 HE1 HIS 86 6.682 10.541 7.172 400 HE2 HIS 86 HE2 HIS 86 6.868 11.985 5.154 401 H GLY 87 HN GLY 87 0.939 8.896 1.875 402 HA2 GLY 87 HA2 GLY 87 0.791 10.271 -0.024 403 HA3 GLY 87 HA1 GLY 87 2.510 10.597 0.110 404 H GLU 88 HN GLU 88 3.470 7.857 0.295 405 HA GLU 88 HA GLU 88 2.704 6.840 -2.342 406 HB2 GLU 88 HB2 GLU 88 5.595 7.399 -1.622 407 HB3 GLU 88 HB1 GLU 88 4.934 6.781 -3.125 408 HG2 GLU 88 HG2 GLU 88 3.887 8.791 -3.668 409 HG3 GLU 88 HG1 GLU 88 4.197 9.463 -2.079 410 H PHE 89 HN PHE 89 2.944 4.610 -2.544 411 HA PHE 89 HA PHE 89 4.075 3.200 -0.282 412 HB2 PHE 89 HB2 PHE 89 2.382 2.151 -2.623 413 HB3 PHE 89 HB1 PHE 89 2.971 1.231 -1.262 414 HD1 PHE 89 HD2 PHE 89 0.812 4.152 -2.047 415 HD2 PHE 89 HD1 PHE 89 1.732 1.054 0.757 416 HE1 PHE 89 HE2 PHE 89 -1.121 4.803 -0.667 417 HE2 PHE 89 HE1 PHE 89 -0.174 1.699 2.097 418 HZ PHE 89 HZ PHE 89 -1.605 3.615 1.381 419 H TYR 90 HN TYR 90 5.869 1.854 -0.680 420 HA TYR 90 HA TYR 90 7.178 2.422 -3.256 421 HB2 TYR 90 HB2 TYR 90 7.418 3.744 -0.935 422 HB3 TYR 90 HB1 TYR 90 8.918 2.789 -0.899 423 HD1 TYR 90 HD1 TYR 90 6.623 5.033 -2.787 424 HD2 TYR 90 HD2 TYR 90 10.692 3.947 -2.154 425 HE1 TYR 90 HE1 TYR 90 7.311 6.941 -4.089 426 HE2 TYR 90 HE2 TYR 90 11.403 5.888 -3.466 427 HH TYR 90 HH TYR 90 9.250 8.366 -4.245 428 H CYS 91 HN CYS 91 8.842 0.861 -3.649 429 HA CYS 91 HA CYS 91 8.358 -1.599 -2.238 430 HB2 CYS 91 HB2 CYS 91 9.861 -2.663 -3.812 431 HB3 CYS 91 HB1 CYS 91 8.760 -1.651 -4.697 432 H LYS 92 HN LYS 92 9.964 -2.785 -1.060 433 HA LYS 92 HA LYS 92 11.292 -1.262 0.748 434 HB2 LYS 92 HB2 LYS 92 11.877 -4.131 -0.047 435 HB3 LYS 92 HB1 LYS 92 12.406 -3.367 1.449 436 HG2 LYS 92 HG2 LYS 92 10.116 -3.037 2.154 437 HG3 LYS 92 HG1 LYS 92 9.515 -3.646 0.627 438 HD2 LYS 92 HD2 LYS 92 9.253 -5.355 2.291 439 HD3 LYS 92 HD1 LYS 92 10.529 -5.855 1.187 440 HE2 LYS 92 HE2 LYS 92 12.219 -5.302 2.766 441 HE3 LYS 92 HE1 LYS 92 11.057 -4.483 3.807 442 HZ1 LYS 92 HZ1 LYS 92 11.676 -6.719 4.608 443 HZ2 LYS 92 HZ2 LYS 92 11.003 -7.408 3.242 444 HZ3 LYS 92 HZ3 LYS 92 10.040 -6.576 4.324 445 HA PRO 93 HA PRO 93 15.469 -1.674 -1.822 446 HB2 PRO 93 HB2 PRO 93 14.342 -1.563 -4.554 447 HB3 PRO 93 HB1 PRO 93 15.739 -2.458 -3.960 448 HG2 PRO 93 HG2 PRO 93 13.465 -3.720 -4.553 449 HG3 PRO 93 HG1 PRO 93 14.442 -4.214 -3.164 450 HD2 PRO 93 HD2 PRO 93 11.933 -2.657 -3.254 451 HD3 PRO 93 HD1 PRO 93 12.451 -3.884 -2.085 452 H HIS 94 HN HIS 94 12.731 -0.072 -3.528 453 HA HIS 94 HA HIS 94 14.282 2.274 -4.005 454 HB2 HIS 94 HB2 HIS 94 11.361 1.731 -4.400 455 HB3 HIS 94 HB1 HIS 94 11.988 3.369 -4.504 456 HD2 HIS 94 HD2 HIS 94 14.758 2.401 -6.014 457 HE1 HIS 94 HE1 HIS 94 11.947 1.434 -9.070 458 HE2 HIS 94 HE2 HIS 94 14.413 1.939 -8.588 459 H PHE 95 HN PHE 95 12.109 1.400 -1.456 460 HA PHE 95 HA PHE 95 11.788 3.982 -0.357 461 HB2 PHE 95 HB2 PHE 95 10.585 1.715 0.134 462 HB3 PHE 95 HB1 PHE 95 11.916 1.462 1.253 463 HD1 PHE 95 HD2 PHE 95 9.545 4.156 0.342 464 HD2 PHE 95 HD1 PHE 95 11.514 2.044 3.421 465 HE1 PHE 95 HE2 PHE 95 8.345 5.452 1.948 466 HE2 PHE 95 HE1 PHE 95 10.294 3.370 5.100 467 HZ PHE 95 HZ PHE 95 8.698 5.087 4.372 468 H GLN 96 HN GLN 96 14.132 1.391 0.172 469 HA GLN 96 HA GLN 96 15.660 2.723 2.127 470 HB2 GLN 96 HB2 GLN 96 16.371 0.484 0.251 471 HB3 GLN 96 HB1 GLN 96 17.440 1.055 1.531 472 HG2 GLN 96 HG2 GLN 96 15.832 0.451 3.201 473 HG3 GLN 96 HG1 GLN 96 14.660 0.040 1.955 474 HE21 GLN 96 HE21 GLN 96 14.897 -1.804 0.820 475 HE22 GLN 96 HE22 GLN 96 15.905 -3.127 1.308 476 H GLN 97 HN GLN 97 16.010 2.609 -1.421 477 HA GLN 97 HA GLN 97 18.451 4.032 -1.399 478 HB2 GLN 97 HB2 GLN 97 16.459 3.453 -3.584 479 HB3 GLN 97 HB1 GLN 97 18.039 4.191 -3.780 480 HG2 GLN 97 HG2 GLN 97 19.118 2.198 -3.017 481 HG3 GLN 97 HG1 GLN 97 17.561 1.448 -2.659 482 HE21 GLN 97 HE21 GLN 97 16.280 0.800 -4.358 483 HE22 GLN 97 HE22 GLN 97 16.885 0.558 -5.960 484 H LEU 98 HN LEU 98 15.130 4.971 -2.321 485 HA LEU 98 HA LEU 98 15.919 7.656 -2.913 486 HB2 LEU 98 HB2 LEU 98 13.313 6.237 -2.886 487 HB3 LEU 98 HB1 LEU 98 13.486 7.922 -3.346 488 HG LEU 98 HG LEU 98 15.088 5.797 -4.747 489 HD11 LEU 98 HD11 LEU 98 12.793 5.114 -4.812 490 HD12 LEU 98 HD12 LEU 98 13.313 5.700 -6.402 491 HD13 LEU 98 HD13 LEU 98 12.306 6.719 -5.355 492 HD21 LEU 98 HD21 LEU 98 15.706 8.118 -5.147 493 HD22 LEU 98 HD22 LEU 98 14.024 8.496 -5.501 494 HD23 LEU 98 HD23 LEU 98 14.918 7.442 -6.585 495 H PHE 99 HN PHE 99 13.925 6.119 -0.395 496 HA PHE 99 HA PHE 99 13.666 8.761 0.818 497 HB2 PHE 99 HB2 PHE 99 12.165 6.234 1.026 498 HB3 PHE 99 HB1 PHE 99 11.952 7.409 2.333 499 HD1 PHE 99 HD1 PHE 99 12.381 9.433 -0.422 500 HD2 PHE 99 HD2 PHE 99 9.629 6.483 0.992 501 HE1 PHE 99 HE1 PHE 99 10.623 10.356 -1.859 502 HE2 PHE 99 HE2 PHE 99 7.908 7.421 -0.465 503 HZ PHE 99 HZ PHE 99 8.425 9.371 -1.893 504 H LYS 100 HN LYS 100 15.390 5.977 1.055 505 HA LYS 100 HA LYS 100 16.895 5.106 2.408 506 HB2 LYS 100 HB2 LYS 100 17.819 7.428 2.007 507 HB3 LYS 100 HB1 LYS 100 17.136 7.886 3.560 508 HG2 LYS 100 HG2 LYS 100 18.545 6.222 4.661 509 HG3 LYS 100 HG1 LYS 100 19.227 5.768 3.100 510 HD2 LYS 100 HD2 LYS 100 20.744 7.250 4.250 511 HD3 LYS 100 HD1 LYS 100 20.087 8.061 2.830 512 HE2 LYS 100 HE2 LYS 100 20.170 9.562 4.749 513 HE3 LYS 100 HE1 LYS 100 18.508 9.271 4.262 514 HZ1 LYS 100 HZ1 LYS 100 18.822 9.183 6.683 515 HZ2 LYS 100 HZ2 LYS 100 19.878 7.884 6.509 516 HZ3 LYS 100 HZ3 LYS 100 18.266 7.715 6.088 517 H SER 101 HN SER 101 14.474 4.458 3.243 518 HA SER 101 HA SER 101 14.734 4.515 6.130 519 HB2 SER 101 HB2 SER 101 13.257 6.428 5.477 520 HB3 SER 101 HB1 SER 101 12.173 5.284 4.693 521 HG SER 101 HG SER 101 12.710 5.705 7.398 522 H LYS 102 HN LYS 102 13.172 3.024 7.093 523 HA LYS 102 HA LYS 102 12.814 0.870 7.517 524 HB2 LYS 102 HB2 LYS 102 10.649 2.080 6.665 525 HB3 LYS 102 HB1 LYS 102 10.737 0.922 5.348 526 HG2 LYS 102 HG2 LYS 102 10.599 0.207 8.282 527 HG3 LYS 102 HG1 LYS 102 9.212 0.257 7.202 528 HD2 LYS 102 HD2 LYS 102 10.159 -1.553 5.892 529 HD3 LYS 102 HD1 LYS 102 11.622 -1.525 6.872 530 HE2 LYS 102 HE2 LYS 102 8.854 -2.181 7.882 531 HE3 LYS 102 HE1 LYS 102 10.096 -3.360 7.485 532 HZ1 LYS 102 HZ1 LYS 102 10.309 -1.283 9.598 533 HZ2 LYS 102 HZ2 LYS 102 11.487 -2.441 9.229 534 HZ3 LYS 102 HZ3 LYS 102 9.994 -2.917 9.841 535 H GLY 103 HN GLY 103 11.818 -0.015 4.176 536 HA2 GLY 103 HA2 GLY 103 12.506 -1.792 2.984 537 HA3 GLY 103 HA1 GLY 103 14.142 -1.332 3.459 538 H ASN 104 HN ASN 104 15.210 -2.706 4.594 539 HA ASN 104 HA ASN 104 14.925 -3.787 6.983 540 HB2 ASN 104 HB2 ASN 104 13.152 -5.373 5.230 541 HB3 ASN 104 HB1 ASN 104 14.416 -6.359 5.941 542 HD21 ASN 104 HD21 ASN 104 14.430 -6.633 8.240 543 HD22 ASN 104 HD22 ASN 104 13.023 -6.329 9.170 544 H TYR 105 HN TYR 105 15.321 -5.411 3.883 545 HA TYR 105 HA TYR 105 16.889 -6.689 3.014 546 HB2 TYR 105 HB2 TYR 105 18.101 -4.348 3.076 547 HB3 TYR 105 HB1 TYR 105 19.054 -5.067 4.374 548 HD1 TYR 105 HD2 TYR 105 20.533 -7.020 3.895 549 HD2 TYR 105 HD1 TYR 105 18.387 -5.030 0.816 550 HE1 TYR 105 HE2 TYR 105 21.931 -8.134 2.197 551 HE2 TYR 105 HE1 TYR 105 19.768 -6.140 -0.872 552 HH TYR 105 HH TYR 105 21.687 -8.775 -0.183 553 H ASP 106 HN ASP 106 15.827 -7.950 4.671 554 HA ASP 106 HA ASP 106 17.664 -8.928 6.752 555 HB2 ASP 106 HB2 ASP 106 15.507 -7.889 7.484 556 HB3 ASP 106 HB1 ASP 106 14.644 -9.121 6.588 557 H GLU 107 HN GLU 107 17.334 -9.530 3.862 558 HA GLU 107 HA GLU 107 16.615 -12.343 3.875 559 HB2 GLU 107 HB2 GLU 107 17.328 -10.440 1.651 560 HB3 GLU 107 HB1 GLU 107 17.023 -12.148 1.403 561 HG2 GLU 107 HG2 GLU 107 14.731 -11.833 2.255 562 HG3 GLU 107 HG1 GLU 107 15.067 -10.111 2.438 Start of MODEL 6 1 H1 ARG 36 HT1 ARG 36 -28.188 2.386 -0.735 2 H2 ARG 36 HT2 ARG 36 -27.930 3.156 -2.203 3 H3 ARG 36 HT3 ARG 36 -27.327 3.815 -0.775 4 HA ARG 36 HA ARG 36 -26.542 1.217 -1.863 5 HB2 ARG 36 HB2 ARG 36 -24.329 2.314 -2.388 6 HB3 ARG 36 HB1 ARG 36 -25.667 2.853 -3.381 7 HG2 ARG 36 HG2 ARG 36 -25.818 4.890 -1.931 8 HG3 ARG 36 HG1 ARG 36 -24.370 4.330 -1.095 9 HD2 ARG 36 HD2 ARG 36 -23.819 5.973 -2.813 10 HD3 ARG 36 HD1 ARG 36 -23.123 4.397 -3.195 11 HE ARG 36 HE ARG 36 -25.520 4.412 -4.486 12 HH11 ARG 36 HH11 ARG 36 -22.696 6.587 -4.607 13 HH12 ARG 36 HH12 ARG 36 -22.962 7.032 -6.215 14 HH21 ARG 36 HH21 ARG 36 -25.842 5.028 -6.698 15 HH22 ARG 36 HH22 ARG 36 -24.753 6.117 -7.438 16 H ALA 37 HN ALA 37 -27.046 0.480 0.275 17 HA ALA 37 HA ALA 37 -25.286 1.410 2.410 18 HB1 ALA 37 HB1 ALA 37 -27.666 1.221 2.949 19 HB2 ALA 37 HB2 ALA 37 -26.720 0.068 3.896 20 HB3 ALA 37 HB3 ALA 37 -27.636 -0.482 2.497 21 H GLN 38 HN GLN 38 -23.367 0.522 1.835 22 HA GLN 38 HA GLN 38 -22.977 -2.261 2.455 23 HB2 GLN 38 HB2 GLN 38 -23.446 -2.255 -0.008 24 HB3 GLN 38 HB1 GLN 38 -22.166 -1.078 -0.217 25 HG2 GLN 38 HG2 GLN 38 -21.468 -3.357 -0.839 26 HG3 GLN 38 HG1 GLN 38 -20.502 -2.695 0.482 27 HE21 GLN 38 HE21 GLN 38 -22.913 -5.002 -0.405 28 HE22 GLN 38 HE22 GLN 38 -22.859 -5.927 1.049 29 H VAL 39 HN VAL 39 -20.707 -2.592 2.931 30 HA VAL 39 HA VAL 39 -19.448 -0.213 3.920 31 HB VAL 39 HB VAL 39 -18.288 -3.016 3.823 32 HG11 VAL 39 HG11 VAL 39 -17.610 -0.646 5.564 33 HG12 VAL 39 HG12 VAL 39 -16.637 -1.276 4.239 34 HG13 VAL 39 HG13 VAL 39 -16.886 -2.250 5.689 35 HG21 VAL 39 HG21 VAL 39 -20.420 -3.064 5.007 36 HG22 VAL 39 HG22 VAL 39 -19.903 -1.713 6.013 37 HG23 VAL 39 HG23 VAL 39 -19.084 -3.271 6.143 38 H LYS 40 HN LYS 40 -18.736 1.060 2.345 39 HA LYS 40 HA LYS 40 -16.856 -0.085 0.463 40 HB2 LYS 40 HB2 LYS 40 -18.995 1.972 -0.126 41 HB3 LYS 40 HB1 LYS 40 -17.679 1.584 -1.231 42 HG2 LYS 40 HG2 LYS 40 -18.442 -0.764 -1.277 43 HG3 LYS 40 HG1 LYS 40 -19.781 -0.323 -0.231 44 HD2 LYS 40 HD2 LYS 40 -20.691 1.123 -1.937 45 HD3 LYS 40 HD1 LYS 40 -19.297 0.829 -2.980 46 HE2 LYS 40 HE2 LYS 40 -19.870 -1.566 -3.032 47 HE3 LYS 40 HE1 LYS 40 -21.278 -1.249 -2.037 48 HZ1 LYS 40 HZ1 LYS 40 -20.824 -0.209 -4.787 49 HZ2 LYS 40 HZ2 LYS 40 -22.147 0.156 -3.826 50 HZ3 LYS 40 HZ3 LYS 40 -21.886 -1.426 -4.338 51 H GLU 41 HN GLU 41 -15.090 0.499 1.105 52 HA GLU 41 HA GLU 41 -14.513 2.946 2.569 53 HB2 GLU 41 HB2 GLU 41 -12.838 0.587 1.718 54 HB3 GLU 41 HB1 GLU 41 -12.337 1.859 2.821 55 HG2 GLU 41 HG2 GLU 41 -14.728 0.173 3.348 56 HG3 GLU 41 HG1 GLU 41 -13.118 -0.364 3.809 57 H THR 42 HN THR 42 -12.788 4.382 1.737 58 HA THR 42 HA THR 42 -12.473 3.966 -1.108 59 HB THR 42 HB THR 42 -11.617 6.571 -0.028 60 HG1 THR 42 HG1 THR 42 -13.572 6.400 1.097 61 HG21 THR 42 HG21 THR 42 -13.313 5.669 -2.347 62 HG22 THR 42 HG22 THR 42 -11.584 6.031 -2.402 63 HG23 THR 42 HG23 THR 42 -12.752 7.321 -2.099 64 H CYS 43 HN CYS 43 -10.398 4.092 -1.929 65 HA CYS 43 HA CYS 43 -8.496 2.908 -0.132 66 HB2 CYS 43 HB2 CYS 43 -8.664 1.633 -1.922 67 HB3 CYS 43 HB1 CYS 43 -9.083 2.916 -3.012 68 H ALA 44 HN ALA 44 -6.436 3.595 0.228 69 HA ALA 44 HA ALA 44 -5.884 6.410 -0.323 70 HB1 ALA 44 HB1 ALA 44 -4.424 4.473 1.417 71 HB2 ALA 44 HB2 ALA 44 -5.699 5.613 1.923 72 HB3 ALA 44 HB3 ALA 44 -4.160 6.217 1.282 73 H ALA 45 HN ALA 45 -5.041 3.392 -1.655 74 HA ALA 45 HA ALA 45 -2.364 4.272 -2.397 75 HB1 ALA 45 HB1 ALA 45 -2.642 2.047 -1.444 76 HB2 ALA 45 HB2 ALA 45 -1.982 1.984 -3.087 77 HB3 ALA 45 HB3 ALA 45 -3.680 1.589 -2.799 78 H CYS 46 HN CYS 46 -5.479 3.988 -3.664 79 HA CYS 46 HA CYS 46 -4.540 5.103 -6.109 80 HB2 CYS 46 HB2 CYS 46 -4.815 3.139 -7.536 81 HB3 CYS 46 HB1 CYS 46 -4.648 2.629 -6.051 82 H GLN 47 HN GLN 47 -6.565 5.411 -3.654 83 HA GLN 47 HA GLN 47 -8.474 6.363 -3.180 84 HB2 GLN 47 HB2 GLN 47 -7.609 8.156 -5.419 85 HB3 GLN 47 HB1 GLN 47 -8.929 8.472 -4.289 86 HG2 GLN 47 HG2 GLN 47 -7.521 8.544 -2.435 87 HG3 GLN 47 HG1 GLN 47 -6.174 7.855 -3.328 88 HE21 GLN 47 HE21 GLN 47 -6.522 9.566 -5.642 89 HE22 GLN 47 HE22 GLN 47 -6.013 11.140 -5.169 90 H LYS 48 HN LYS 48 -9.023 4.200 -4.721 91 HA LYS 48 HA LYS 48 -11.467 5.018 -6.113 92 HB2 LYS 48 HB2 LYS 48 -9.844 2.476 -6.407 93 HB3 LYS 48 HB1 LYS 48 -11.319 2.848 -7.285 94 HG2 LYS 48 HG2 LYS 48 -8.672 4.273 -7.500 95 HG3 LYS 48 HG1 LYS 48 -9.377 3.185 -8.687 96 HD2 LYS 48 HD2 LYS 48 -10.513 5.866 -7.826 97 HD3 LYS 48 HD1 LYS 48 -9.644 5.553 -9.325 98 HE2 LYS 48 HE2 LYS 48 -11.399 4.045 -10.057 99 HE3 LYS 48 HE1 LYS 48 -12.240 4.253 -8.524 100 HZ1 LYS 48 HZ1 LYS 48 -13.189 5.610 -10.294 101 HZ2 LYS 48 HZ2 LYS 48 -11.718 6.430 -10.474 102 HZ3 LYS 48 HZ3 LYS 48 -12.590 6.566 -9.044 103 H THR 49 HN THR 49 -13.312 3.715 -5.589 104 HA THR 49 HA THR 49 -13.405 3.182 -2.839 105 HB THR 49 HB THR 49 -15.431 2.238 -4.770 106 HG1 THR 49 HG1 THR 49 -15.507 4.906 -3.819 107 HG21 THR 49 HG21 THR 49 -15.833 1.818 -2.440 108 HG22 THR 49 HG22 THR 49 -16.918 3.135 -2.929 109 HG23 THR 49 HG23 THR 49 -15.408 3.481 -2.056 110 H VAL 50 HN VAL 50 -13.102 1.399 -1.780 111 HA VAL 50 HA VAL 50 -12.280 -0.986 -3.215 112 HB VAL 50 HB VAL 50 -12.148 -1.027 -0.241 113 HG11 VAL 50 HG11 VAL 50 -10.293 -1.751 -2.441 114 HG12 VAL 50 HG12 VAL 50 -11.285 -2.827 -1.447 115 HG13 VAL 50 HG13 VAL 50 -9.943 -1.920 -0.732 116 HG21 VAL 50 HG21 VAL 50 -11.519 1.302 -0.589 117 HG22 VAL 50 HG22 VAL 50 -10.453 0.825 -1.892 118 HG23 VAL 50 HG23 VAL 50 -10.064 0.357 -0.222 119 H TYR 51 HN TYR 51 -13.504 -2.802 -3.018 120 HA TYR 51 HA TYR 51 -15.988 -2.497 -1.518 121 HB2 TYR 51 HB2 TYR 51 -15.402 -4.314 -3.890 122 HB3 TYR 51 HB1 TYR 51 -16.979 -4.032 -3.149 123 HD1 TYR 51 HD1 TYR 51 -17.483 -1.448 -2.982 124 HD2 TYR 51 HD2 TYR 51 -15.042 -3.231 -5.907 125 HE1 TYR 51 HE1 TYR 51 -17.884 0.509 -4.484 126 HE2 TYR 51 HE2 TYR 51 -15.407 -1.322 -7.422 127 HH TYR 51 HH TYR 51 -17.117 0.454 -7.744 128 HA PRO 52 HA PRO 52 -14.957 -5.518 1.488 129 HB2 PRO 52 HB2 PRO 52 -16.923 -7.355 0.300 130 HB3 PRO 52 HB1 PRO 52 -16.696 -6.942 2.001 131 HG2 PRO 52 HG2 PRO 52 -18.696 -5.830 0.653 132 HG3 PRO 52 HG1 PRO 52 -17.727 -4.850 1.765 133 HD2 PRO 52 HD2 PRO 52 -17.737 -4.876 -1.208 134 HD3 PRO 52 HD1 PRO 52 -17.380 -3.548 -0.090 135 H MET 53 HN MET 53 -15.425 -7.079 -1.658 136 HA MET 53 HA MET 53 -13.882 -9.398 -1.211 137 HB2 MET 53 HB2 MET 53 -15.399 -9.158 -3.065 138 HB3 MET 53 HB1 MET 53 -14.399 -7.893 -3.777 139 HG2 MET 53 HG2 MET 53 -12.569 -9.590 -3.926 140 HG3 MET 53 HG1 MET 53 -13.738 -10.805 -3.437 141 HE1 MET 53 HE1 MET 53 -12.026 -10.916 -6.179 142 HE2 MET 53 HE2 MET 53 -13.250 -11.469 -7.319 143 HE3 MET 53 HE3 MET 53 -13.151 -12.195 -5.718 144 H GLU 54 HN GLU 54 -12.873 -6.112 -2.018 145 HA GLU 54 HA GLU 54 -10.147 -7.078 -2.409 146 HB2 GLU 54 HB2 GLU 54 -11.484 -4.618 -3.486 147 HB3 GLU 54 HB1 GLU 54 -9.795 -5.003 -3.744 148 HG2 GLU 54 HG2 GLU 54 -10.691 -7.221 -4.700 149 HG3 GLU 54 HG1 GLU 54 -12.232 -6.402 -4.749 150 H ARG 55 HN ARG 55 -12.080 -5.380 -0.261 151 HA ARG 55 HA ARG 55 -10.261 -3.391 0.553 152 HB2 ARG 55 HB2 ARG 55 -12.358 -2.785 1.120 153 HB3 ARG 55 HB1 ARG 55 -12.833 -4.393 1.635 154 HG2 ARG 55 HG2 ARG 55 -11.149 -3.857 3.583 155 HG3 ARG 55 HG1 ARG 55 -11.388 -2.197 3.058 156 HD2 ARG 55 HD2 ARG 55 -13.798 -2.394 3.337 157 HD3 ARG 55 HD1 ARG 55 -13.616 -4.082 3.798 158 HE ARG 55 HE ARG 55 -12.165 -2.215 5.442 159 HH11 ARG 55 HH11 ARG 55 -15.062 -4.212 5.095 160 HH12 ARG 55 HH12 ARG 55 -15.621 -3.933 6.667 161 HH21 ARG 55 HH21 ARG 55 -12.915 -1.862 7.628 162 HH22 ARG 55 HH22 ARG 55 -14.383 -2.551 8.150 163 H LEU 56 HN LEU 56 -8.464 -3.817 1.129 164 HA LEU 56 HA LEU 56 -7.880 -5.623 3.346 165 HB2 LEU 56 HB2 LEU 56 -6.811 -6.342 1.315 166 HB3 LEU 56 HB1 LEU 56 -6.322 -4.720 0.924 167 HG LEU 56 HG LEU 56 -5.117 -6.101 3.323 168 HD11 LEU 56 HD11 LEU 56 -4.922 -7.630 1.394 169 HD12 LEU 56 HD12 LEU 56 -3.368 -6.890 1.825 170 HD13 LEU 56 HD13 LEU 56 -4.275 -6.282 0.447 171 HD21 LEU 56 HD21 LEU 56 -3.238 -4.654 2.792 172 HD22 LEU 56 HD22 LEU 56 -4.710 -3.691 2.895 173 HD23 LEU 56 HD23 LEU 56 -4.046 -4.117 1.318 174 H VAL 57 HN VAL 57 -6.255 -4.740 4.864 175 HA VAL 57 HA VAL 57 -5.903 -1.868 4.641 176 HB VAL 57 HB VAL 57 -7.625 -2.097 6.324 177 HG11 VAL 57 HG11 VAL 57 -5.835 -4.073 7.724 178 HG12 VAL 57 HG12 VAL 57 -7.387 -4.403 6.940 179 HG13 VAL 57 HG13 VAL 57 -7.325 -3.397 8.385 180 HG21 VAL 57 HG21 VAL 57 -4.969 -1.609 7.673 181 HG22 VAL 57 HG22 VAL 57 -6.540 -1.099 8.298 182 HG23 VAL 57 HG23 VAL 57 -5.924 -0.424 6.790 183 H ALA 58 HN ALA 58 -3.862 -1.316 4.612 184 HA ALA 58 HA ALA 58 -1.922 -3.117 5.946 185 HB1 ALA 58 HB1 ALA 58 -1.415 -2.803 3.491 186 HB2 ALA 58 HB2 ALA 58 -0.163 -2.052 4.451 187 HB3 ALA 58 HB3 ALA 58 -1.425 -1.065 3.729 188 H ASP 59 HN ASP 59 -0.642 -2.162 7.557 189 HA ASP 59 HA ASP 59 -0.720 -1.198 9.511 190 HB2 ASP 59 HB2 ASP 59 -0.319 1.398 9.453 191 HB3 ASP 59 HB1 ASP 59 1.019 0.353 9.240 192 H LYS 60 HN LYS 60 -2.381 1.181 7.776 193 HA LYS 60 HA LYS 60 -4.814 0.597 8.982 194 HB2 LYS 60 HB2 LYS 60 -3.573 1.780 10.872 195 HB3 LYS 60 HB1 LYS 60 -3.798 3.235 9.901 196 HG2 LYS 60 HG2 LYS 60 -6.172 3.052 10.044 197 HG3 LYS 60 HG1 LYS 60 -6.036 1.489 10.855 198 HD2 LYS 60 HD2 LYS 60 -6.486 3.181 12.537 199 HD3 LYS 60 HD1 LYS 60 -4.814 2.605 12.662 200 HE2 LYS 60 HE2 LYS 60 -4.982 5.042 12.919 201 HE3 LYS 60 HE1 LYS 60 -3.983 4.573 11.546 202 HZ1 LYS 60 HZ1 LYS 60 -5.470 6.406 11.022 203 HZ2 LYS 60 HZ2 LYS 60 -6.814 5.475 11.411 204 HZ3 LYS 60 HZ3 LYS 60 -5.867 5.070 10.078 205 H LEU 61 HN LEU 61 -3.578 1.205 6.447 206 HA LEU 61 HA LEU 61 -5.291 3.366 5.459 207 HB2 LEU 61 HB2 LEU 61 -3.049 1.884 4.170 208 HB3 LEU 61 HB1 LEU 61 -3.902 3.247 3.474 209 HG LEU 61 HG LEU 61 -2.130 3.381 5.926 210 HD11 LEU 61 HD11 LEU 61 -0.575 4.589 4.494 211 HD12 LEU 61 HD12 LEU 61 -1.644 4.340 3.114 212 HD13 LEU 61 HD13 LEU 61 -0.864 2.958 3.882 213 HD21 LEU 61 HD21 LEU 61 -3.921 5.029 5.961 214 HD22 LEU 61 HD22 LEU 61 -3.485 5.554 4.332 215 HD23 LEU 61 HD23 LEU 61 -2.362 5.801 5.669 216 H ILE 62 HN ILE 62 -7.038 2.762 4.215 217 HA ILE 62 HA ILE 62 -7.426 -0.114 3.987 218 HB ILE 62 HB ILE 62 -9.526 1.999 3.445 219 HG12 ILE 62 HG12 ILE 62 -8.615 2.402 5.706 220 HG13 ILE 62 HG11 ILE 62 -10.288 1.863 5.745 221 HG21 ILE 62 HG21 ILE 62 -9.991 -0.268 2.743 222 HG22 ILE 62 HG22 ILE 62 -11.022 0.206 4.122 223 HG23 ILE 62 HG23 ILE 62 -9.607 -0.824 4.385 224 HD11 ILE 62 HD11 ILE 62 -8.965 0.846 7.522 225 HD12 ILE 62 HD12 ILE 62 -7.869 0.174 6.305 226 HD13 ILE 62 HD13 ILE 62 -9.543 -0.364 6.373 227 H PHE 63 HN PHE 63 -7.178 -1.011 2.059 228 HA PHE 63 HA PHE 63 -8.038 0.200 -0.285 229 HB2 PHE 63 HB2 PHE 63 -5.824 0.403 -1.506 230 HB3 PHE 63 HB1 PHE 63 -6.257 1.520 -0.223 231 HD1 PHE 63 HD2 PHE 63 -4.655 -1.836 0.364 232 HD2 PHE 63 HD1 PHE 63 -4.460 2.413 0.426 233 HE1 PHE 63 HE2 PHE 63 -2.565 -1.924 1.601 234 HE2 PHE 63 HE1 PHE 63 -2.407 2.302 1.637 235 HZ PHE 63 HZ PHE 63 -1.422 0.193 2.240 236 H HIS 64 HN HIS 64 -7.292 -0.818 -2.285 237 HA HIS 64 HA HIS 64 -8.047 -3.522 -2.396 238 HB2 HIS 64 HB2 HIS 64 -6.506 -1.895 -4.456 239 HB3 HIS 64 HB1 HIS 64 -7.493 -3.319 -4.752 240 HD2 HIS 64 HD2 HIS 64 -10.118 -2.836 -5.108 241 HE1 HIS 64 HE1 HIS 64 -9.936 1.370 -4.630 242 HE2 HIS 64 HE2 HIS 64 -11.408 -0.579 -5.312 243 H ASN 65 HN ASN 65 -6.777 -5.274 -2.272 244 HA ASN 65 HA ASN 65 -4.115 -5.228 -1.401 245 HB2 ASN 65 HB2 ASN 65 -4.103 -7.658 -1.760 246 HB3 ASN 65 HB1 ASN 65 -5.600 -7.144 -1.011 247 HD21 ASN 65 HD21 ASN 65 -4.159 -8.501 -3.872 248 HD22 ASN 65 HD22 ASN 65 -5.642 -8.932 -4.639 249 H SER 66 HN SER 66 -5.478 -5.369 -4.596 250 HA SER 66 HA SER 66 -3.093 -6.043 -5.930 251 HB2 SER 66 HB2 SER 66 -4.498 -5.428 -7.878 252 HB3 SER 66 HB1 SER 66 -5.043 -6.779 -6.888 253 HG SER 66 HG SER 66 -6.244 -4.314 -7.287 254 H CYS 67 HN CYS 67 -3.818 -2.986 -4.511 255 HA CYS 67 HA CYS 67 -2.857 -1.769 -6.985 256 HB2 CYS 67 HB2 CYS 67 -3.718 0.416 -6.082 257 HB3 CYS 67 HB1 CYS 67 -4.931 -0.769 -6.594 258 H PHE 68 HN PHE 68 -1.909 -1.893 -3.614 259 HA PHE 68 HA PHE 68 -0.243 0.366 -4.072 260 HB2 PHE 68 HB2 PHE 68 0.748 -0.190 -1.843 261 HB3 PHE 68 HB1 PHE 68 -0.942 0.374 -1.778 262 HD1 PHE 68 HD2 PHE 68 -2.357 -2.218 -1.980 263 HD2 PHE 68 HD1 PHE 68 1.403 -1.297 -0.237 264 HE1 PHE 68 HE2 PHE 68 -2.599 -4.137 -0.436 265 HE2 PHE 68 HE1 PHE 68 1.173 -3.193 1.301 266 HZ PHE 68 HZ PHE 68 -0.792 -4.615 1.206 267 H CYS 69 HN CYS 69 1.321 0.272 -5.293 268 HA CYS 69 HA CYS 69 3.318 -1.826 -5.024 269 HB2 CYS 69 HB2 CYS 69 2.680 -0.199 -7.509 270 HB3 CYS 69 HB1 CYS 69 3.740 -1.577 -7.348 271 HG CYS 69 HG CYS 69 0.417 -1.789 -6.817 272 H CYS 70 HN CYS 70 5.471 -0.802 -5.741 273 HA CYS 70 HA CYS 70 5.870 1.603 -4.319 274 HB2 CYS 70 HB2 CYS 70 7.651 0.137 -4.401 275 HB3 CYS 70 HB1 CYS 70 7.626 0.008 -6.168 276 H LYS 71 HN LYS 71 6.056 3.526 -4.963 277 HA LYS 71 HA LYS 71 4.706 4.181 -7.404 278 HB2 LYS 71 HB2 LYS 71 4.480 5.381 -5.098 279 HB3 LYS 71 HB1 LYS 71 5.950 6.162 -5.596 280 HG2 LYS 71 HG2 LYS 71 4.217 7.710 -6.169 281 HG3 LYS 71 HG1 LYS 71 4.767 6.975 -7.651 282 HD2 LYS 71 HD2 LYS 71 2.373 5.851 -6.231 283 HD3 LYS 71 HD1 LYS 71 2.219 7.307 -7.210 284 HE2 LYS 71 HE2 LYS 71 3.260 6.077 -9.040 285 HE3 LYS 71 HE1 LYS 71 3.137 4.582 -8.121 286 HZ1 LYS 71 HZ1 LYS 71 0.806 6.243 -8.919 287 HZ2 LYS 71 HZ2 LYS 71 0.731 4.835 -8.017 288 HZ3 LYS 71 HZ3 LYS 71 1.254 4.789 -9.609 289 H HIS 72 HN HIS 72 7.939 3.928 -6.431 290 HA HIS 72 HA HIS 72 8.811 5.625 -8.622 291 HB2 HIS 72 HB2 HIS 72 9.899 5.686 -6.339 292 HB3 HIS 72 HB1 HIS 72 10.621 4.125 -6.726 293 HD2 HIS 72 HD2 HIS 72 12.622 4.237 -8.740 294 HE1 HIS 72 HE1 HIS 72 13.066 8.432 -8.438 295 HE2 HIS 72 HE2 HIS 72 13.824 6.334 -9.638 296 H CYS 73 HN CYS 73 8.455 2.226 -7.835 297 HA CYS 73 HA CYS 73 9.017 1.705 -10.558 298 HB2 CYS 73 HB2 CYS 73 10.524 -0.101 -10.141 299 HB3 CYS 73 HB1 CYS 73 11.027 1.281 -9.261 300 H HIS 74 HN HIS 74 7.367 0.089 -11.207 301 HA HIS 74 HA HIS 74 5.423 -0.271 -9.086 302 HB2 HIS 74 HB2 HIS 74 3.842 -1.085 -10.816 303 HB3 HIS 74 HB1 HIS 74 4.406 0.565 -11.032 304 HD1 HIS 74 HD1 HIS 74 5.182 1.117 -13.338 305 HD2 HIS 74 HD2 HIS 74 5.177 -2.971 -12.663 306 HE1 HIS 74 HE1 HIS 74 5.690 0.062 -15.556 307 HE2 HIS 74 HE2 HIS 74 5.534 -2.408 -15.140 308 H THR 75 HN THR 75 7.195 -1.677 -8.261 309 HA THR 75 HA THR 75 6.960 -4.451 -8.982 310 HB THR 75 HB THR 75 9.097 -3.624 -8.010 311 HG1 THR 75 HG1 THR 75 8.893 -5.734 -7.696 312 HG21 THR 75 HG21 THR 75 9.267 -3.148 -5.600 313 HG22 THR 75 HG22 THR 75 7.508 -3.255 -5.476 314 HG23 THR 75 HG23 THR 75 8.249 -1.977 -6.440 315 H LYS 76 HN LYS 76 5.662 -5.949 -8.083 316 HA LYS 76 HA LYS 76 3.395 -4.968 -6.653 317 HB2 LYS 76 HB2 LYS 76 3.407 -6.786 -8.460 318 HB3 LYS 76 HB1 LYS 76 4.060 -7.833 -7.204 319 HG2 LYS 76 HG2 LYS 76 1.697 -8.158 -7.388 320 HG3 LYS 76 HG1 LYS 76 2.087 -7.424 -5.838 321 HD2 LYS 76 HD2 LYS 76 1.350 -5.278 -6.560 322 HD3 LYS 76 HD1 LYS 76 1.212 -5.819 -8.234 323 HE2 LYS 76 HE2 LYS 76 -0.965 -5.647 -7.145 324 HE3 LYS 76 HE1 LYS 76 -0.584 -7.300 -7.626 325 HZ1 LYS 76 HZ1 LYS 76 0.042 -7.764 -5.332 326 HZ2 LYS 76 HZ2 LYS 76 -1.547 -7.259 -5.416 327 HZ3 LYS 76 HZ3 LYS 76 -0.345 -6.178 -4.893 328 H LEU 77 HN LEU 77 4.284 -4.318 -4.878 329 HA LEU 77 HA LEU 77 5.616 -6.166 -3.056 330 HB2 LEU 77 HB2 LEU 77 6.435 -4.149 -1.893 331 HB3 LEU 77 HB1 LEU 77 6.684 -4.171 -3.635 332 HG LEU 77 HG LEU 77 4.927 -2.604 -4.054 333 HD11 LEU 77 HD11 LEU 77 3.555 -2.944 -1.922 334 HD12 LEU 77 HD12 LEU 77 3.916 -1.254 -2.338 335 HD13 LEU 77 HD13 LEU 77 4.876 -2.080 -1.123 336 HD21 LEU 77 HD21 LEU 77 7.240 -1.978 -3.791 337 HD22 LEU 77 HD22 LEU 77 6.929 -1.700 -2.073 338 HD23 LEU 77 HD23 LEU 77 6.117 -0.716 -3.283 339 H SER 78 HN SER 78 2.624 -5.334 -3.669 340 HA SER 78 HA SER 78 1.418 -4.525 -1.317 341 HB2 SER 78 HB2 SER 78 0.211 -6.555 -3.015 342 HB3 SER 78 HB1 SER 78 -0.503 -5.091 -2.355 343 HG SER 78 HG SER 78 0.881 -3.918 -3.832 344 H LEU 79 HN LEU 79 0.967 -5.528 0.447 345 HA LEU 79 HA LEU 79 1.133 -6.978 2.156 346 HB2 LEU 79 HB2 LEU 79 -1.026 -7.253 0.524 347 HB3 LEU 79 HB1 LEU 79 -0.517 -8.913 0.804 348 HG LEU 79 HG LEU 79 -2.224 -8.203 2.453 349 HD11 LEU 79 HD11 LEU 79 0.478 -8.683 3.674 350 HD12 LEU 79 HD12 LEU 79 -0.633 -9.917 3.063 351 HD13 LEU 79 HD13 LEU 79 -1.090 -8.930 4.451 352 HD21 LEU 79 HD21 LEU 79 -1.633 -6.547 4.179 353 HD22 LEU 79 HD22 LEU 79 -1.655 -5.830 2.573 354 HD23 LEU 79 HD23 LEU 79 -0.124 -6.202 3.336 355 H GLY 80 HN GLY 80 3.438 -7.352 1.082 356 HA2 GLY 80 HA2 GLY 80 3.931 -10.132 1.732 357 HA3 GLY 80 HA1 GLY 80 4.433 -9.621 0.114 358 H SER 81 HN SER 81 5.716 -7.651 0.025 359 HA SER 81 HA SER 81 7.282 -7.121 2.421 360 HB2 SER 81 HB2 SER 81 9.342 -7.143 0.920 361 HB3 SER 81 HB1 SER 81 8.655 -8.727 1.271 362 HG SER 81 HG SER 81 8.260 -7.160 -1.049 363 H TYR 82 HN TYR 82 6.812 -4.963 2.694 364 HA TYR 82 HA TYR 82 6.987 -3.264 0.367 365 HB2 TYR 82 HB2 TYR 82 4.758 -2.306 0.710 366 HB3 TYR 82 HB1 TYR 82 4.646 -4.015 0.397 367 HD1 TYR 82 HD1 TYR 82 4.874 -1.718 3.318 368 HD2 TYR 82 HD2 TYR 82 2.982 -5.204 1.721 369 HE1 TYR 82 HE1 TYR 82 3.411 -1.834 5.272 370 HE2 TYR 82 HE2 TYR 82 1.563 -5.320 3.671 371 HH TYR 82 HH TYR 82 1.452 -4.560 5.957 372 H ALA 83 HN ALA 83 6.828 -1.020 0.925 373 HA ALA 83 HA ALA 83 7.161 -0.366 3.753 374 HB1 ALA 83 HB1 ALA 83 8.678 0.676 1.355 375 HB2 ALA 83 HB2 ALA 83 9.360 -0.105 2.790 376 HB3 ALA 83 HB3 ALA 83 8.633 1.508 2.900 377 H ALA 84 HN ALA 84 5.371 0.906 4.198 378 HA ALA 84 HA ALA 84 4.363 2.438 1.909 379 HB1 ALA 84 HB1 ALA 84 2.828 0.630 2.569 380 HB2 ALA 84 HB2 ALA 84 2.149 2.243 2.730 381 HB3 ALA 84 HB3 ALA 84 2.676 1.369 4.173 382 H LEU 85 HN LEU 85 4.179 4.581 2.121 383 HA LEU 85 HA LEU 85 4.482 5.647 4.811 384 HB2 LEU 85 HB2 LEU 85 6.514 5.894 3.423 385 HB3 LEU 85 HB1 LEU 85 5.575 6.754 2.215 386 HG LEU 85 HG LEU 85 5.029 8.331 4.162 387 HD11 LEU 85 HD11 LEU 85 7.514 7.079 5.186 388 HD12 LEU 85 HD12 LEU 85 5.884 6.933 5.898 389 HD13 LEU 85 HD13 LEU 85 6.689 8.518 5.826 390 HD21 LEU 85 HD21 LEU 85 6.384 9.038 2.286 391 HD22 LEU 85 HD22 LEU 85 7.804 8.275 3.015 392 HD23 LEU 85 HD23 LEU 85 7.023 9.647 3.813 393 H HIS 86 HN HIS 86 3.271 7.448 5.107 394 HA HIS 86 HA HIS 86 0.907 7.967 3.855 395 HB2 HIS 86 HB2 HIS 86 1.309 10.410 4.666 396 HB3 HIS 86 HB1 HIS 86 1.209 9.130 5.867 397 HD1 HIS 86 HD1 HIS 86 3.090 9.058 7.500 398 HD2 HIS 86 HD2 HIS 86 4.192 11.113 4.075 399 HE1 HIS 86 HE1 HIS 86 5.417 9.946 7.922 400 HE2 HIS 86 HE2 HIS 86 5.996 11.261 5.893 401 H GLY 87 HN GLY 87 0.460 8.464 1.857 402 HA2 GLY 87 HA2 GLY 87 0.528 9.963 0.024 403 HA3 GLY 87 HA1 GLY 87 2.210 10.304 0.407 404 H GLU 88 HN GLU 88 3.315 7.665 0.518 405 HA GLU 88 HA GLU 88 2.708 6.670 -2.116 406 HB2 GLU 88 HB2 GLU 88 5.573 7.451 -1.466 407 HB3 GLU 88 HB1 GLU 88 4.931 6.692 -2.917 408 HG2 GLU 88 HG2 GLU 88 3.635 8.559 -3.474 409 HG3 GLU 88 HG1 GLU 88 4.112 9.385 -2.009 410 H PHE 89 HN PHE 89 3.201 4.579 -2.440 411 HA PHE 89 HA PHE 89 4.133 3.071 -0.152 412 HB2 PHE 89 HB2 PHE 89 2.648 2.193 -2.682 413 HB3 PHE 89 HB1 PHE 89 3.023 1.176 -1.306 414 HD1 PHE 89 HD2 PHE 89 1.052 4.131 -2.383 415 HD2 PHE 89 HD1 PHE 89 1.689 1.250 0.698 416 HE1 PHE 89 HE2 PHE 89 -0.929 4.966 -1.176 417 HE2 PHE 89 HE1 PHE 89 -0.258 2.089 1.873 418 HZ PHE 89 HZ PHE 89 -1.569 3.963 0.932 419 H TYR 90 HN TYR 90 6.010 1.882 -0.447 420 HA TYR 90 HA TYR 90 7.456 2.528 -2.915 421 HB2 TYR 90 HB2 TYR 90 7.432 3.843 -0.586 422 HB3 TYR 90 HB1 TYR 90 8.999 3.028 -0.421 423 HD1 TYR 90 HD1 TYR 90 6.640 5.038 -2.451 424 HD2 TYR 90 HD2 TYR 90 10.735 4.338 -1.576 425 HE1 TYR 90 HE1 TYR 90 7.205 7.005 -3.711 426 HE2 TYR 90 HE2 TYR 90 11.335 6.338 -2.838 427 HH TYR 90 HH TYR 90 9.126 8.674 -3.717 428 H CYS 91 HN CYS 91 9.262 1.104 -3.139 429 HA CYS 91 HA CYS 91 8.821 -1.381 -1.778 430 HB2 CYS 91 HB2 CYS 91 10.551 -2.318 -3.236 431 HB3 CYS 91 HB1 CYS 91 9.400 -1.425 -4.184 432 H LYS 92 HN LYS 92 10.554 -2.443 -0.546 433 HA LYS 92 HA LYS 92 11.693 -0.844 1.361 434 HB2 LYS 92 HB2 LYS 92 12.669 -3.547 0.427 435 HB3 LYS 92 HB1 LYS 92 13.221 -2.748 1.885 436 HG2 LYS 92 HG2 LYS 92 10.982 -2.852 2.816 437 HG3 LYS 92 HG1 LYS 92 10.384 -3.593 1.324 438 HD2 LYS 92 HD2 LYS 92 11.825 -5.503 1.656 439 HD3 LYS 92 HD1 LYS 92 12.542 -4.753 3.077 440 HE2 LYS 92 HE2 LYS 92 10.369 -4.825 4.200 441 HE3 LYS 92 HE1 LYS 92 9.665 -5.592 2.775 442 HZ1 LYS 92 HZ1 LYS 92 11.057 -7.495 3.098 443 HZ2 LYS 92 HZ2 LYS 92 10.373 -7.166 4.612 444 HZ3 LYS 92 HZ3 LYS 92 11.944 -6.711 4.262 445 HA PRO 93 HA PRO 93 15.974 -0.737 -1.080 446 HB2 PRO 93 HB2 PRO 93 14.932 -0.734 -3.850 447 HB3 PRO 93 HB1 PRO 93 16.406 -1.466 -3.213 448 HG2 PRO 93 HG2 PRO 93 14.322 -2.993 -3.879 449 HG3 PRO 93 HG1 PRO 93 15.284 -3.355 -2.442 450 HD2 PRO 93 HD2 PRO 93 12.621 -2.093 -2.653 451 HD3 PRO 93 HD1 PRO 93 13.233 -3.253 -1.460 452 H HIS 94 HN HIS 94 13.176 0.561 -2.923 453 HA HIS 94 HA HIS 94 14.499 3.037 -3.355 454 HB2 HIS 94 HB2 HIS 94 11.653 2.234 -3.858 455 HB3 HIS 94 HB1 HIS 94 12.159 3.914 -3.983 456 HD2 HIS 94 HD2 HIS 94 15.046 3.167 -5.397 457 HE1 HIS 94 HE1 HIS 94 12.468 1.776 -8.475 458 HE2 HIS 94 HE2 HIS 94 14.896 2.359 -7.873 459 H PHE 95 HN PHE 95 12.323 1.977 -0.870 460 HA PHE 95 HA PHE 95 11.716 4.498 0.223 461 HB2 PHE 95 HB2 PHE 95 10.772 2.188 0.902 462 HB3 PHE 95 HB1 PHE 95 12.249 2.020 1.832 463 HD1 PHE 95 HD2 PHE 95 9.192 3.953 1.432 464 HD2 PHE 95 HD1 PHE 95 12.547 3.145 3.824 465 HE1 PHE 95 HE2 PHE 95 8.155 5.177 3.222 466 HE2 PHE 95 HE1 PHE 95 11.535 4.403 5.708 467 HZ PHE 95 HZ PHE 95 9.313 5.434 5.409 468 H GLN 96 HN GLN 96 14.353 2.236 0.788 469 HA GLN 96 HA GLN 96 15.670 3.705 2.778 470 HB2 GLN 96 HB2 GLN 96 16.659 1.613 0.856 471 HB3 GLN 96 HB1 GLN 96 17.634 2.257 2.171 472 HG2 GLN 96 HG2 GLN 96 16.121 1.383 3.799 473 HG3 GLN 96 HG1 GLN 96 14.968 0.888 2.570 474 HE21 GLN 96 HE21 GLN 96 15.429 -0.873 1.320 475 HE22 GLN 96 HE22 GLN 96 16.611 -2.069 1.738 476 H GLN 97 HN GLN 97 16.067 3.697 -0.766 477 HA GLN 97 HA GLN 97 18.374 5.349 -0.808 478 HB2 GLN 97 HB2 GLN 97 16.265 4.794 -2.867 479 HB3 GLN 97 HB1 GLN 97 17.823 5.534 -3.148 480 HG2 GLN 97 HG2 GLN 97 18.957 3.514 -2.693 481 HG3 GLN 97 HG1 GLN 97 17.486 2.763 -2.068 482 HE21 GLN 97 HE21 GLN 97 17.482 4.771 -4.940 483 HE22 GLN 97 HE22 GLN 97 17.187 3.502 -6.052 484 H LEU 98 HN LEU 98 14.957 5.904 -1.588 485 HA LEU 98 HA LEU 98 15.372 8.669 -2.146 486 HB2 LEU 98 HB2 LEU 98 13.034 6.883 -2.213 487 HB3 LEU 98 HB1 LEU 98 12.931 8.584 -2.649 488 HG LEU 98 HG LEU 98 14.886 6.730 -4.010 489 HD11 LEU 98 HD11 LEU 98 13.235 6.486 -5.773 490 HD12 LEU 98 HD12 LEU 98 12.054 7.327 -4.755 491 HD13 LEU 98 HD13 LEU 98 12.717 5.769 -4.249 492 HD21 LEU 98 HD21 LEU 98 14.599 8.386 -5.827 493 HD22 LEU 98 HD22 LEU 98 15.295 9.069 -4.355 494 HD23 LEU 98 HD23 LEU 98 13.594 9.345 -4.742 495 H PHE 99 HN PHE 99 13.617 6.876 0.380 496 HA PHE 99 HA PHE 99 12.842 9.445 1.542 497 HB2 PHE 99 HB2 PHE 99 11.821 6.683 1.764 498 HB3 PHE 99 HB1 PHE 99 11.393 7.818 3.047 499 HD1 PHE 99 HD1 PHE 99 11.467 9.788 0.197 500 HD2 PHE 99 HD2 PHE 99 9.266 6.500 1.814 501 HE1 PHE 99 HE1 PHE 99 9.541 10.353 -1.226 502 HE2 PHE 99 HE2 PHE 99 7.372 7.078 0.368 503 HZ PHE 99 HZ PHE 99 7.531 9.028 -1.153 504 H LYS 100 HN LYS 100 14.851 6.732 2.014 505 HA LYS 100 HA LYS 100 16.531 6.284 3.382 506 HB2 LYS 100 HB2 LYS 100 16.937 8.703 3.740 507 HB3 LYS 100 HB1 LYS 100 15.663 8.725 4.946 508 HG2 LYS 100 HG2 LYS 100 16.987 7.189 6.312 509 HG3 LYS 100 HG1 LYS 100 18.290 7.281 5.130 510 HD2 LYS 100 HD2 LYS 100 18.744 8.819 6.951 511 HD3 LYS 100 HD1 LYS 100 18.409 9.724 5.474 512 HE2 LYS 100 HE2 LYS 100 16.111 10.117 6.254 513 HE3 LYS 100 HE1 LYS 100 16.457 9.209 7.724 514 HZ1 LYS 100 HZ1 LYS 100 16.601 11.556 8.087 515 HZ2 LYS 100 HZ2 LYS 100 17.743 11.723 6.855 516 HZ3 LYS 100 HZ3 LYS 100 18.140 10.876 8.268 517 H SER 101 HN SER 101 16.784 5.139 5.441 518 HA SER 101 HA SER 101 16.151 3.848 7.159 519 HB2 SER 101 HB2 SER 101 13.430 5.195 7.074 520 HB3 SER 101 HB1 SER 101 14.119 4.284 8.417 521 HG SER 101 HG SER 101 14.323 6.850 7.846 522 H LYS 102 HN LYS 102 14.454 2.055 7.662 523 HA LYS 102 HA LYS 102 13.729 0.841 5.096 524 HB2 LYS 102 HB2 LYS 102 14.173 -0.405 7.826 525 HB3 LYS 102 HB1 LYS 102 13.849 -1.290 6.337 526 HG2 LYS 102 HG2 LYS 102 15.935 -0.570 5.383 527 HG3 LYS 102 HG1 LYS 102 16.247 0.483 6.761 528 HD2 LYS 102 HD2 LYS 102 16.319 -1.521 8.213 529 HD3 LYS 102 HD1 LYS 102 16.117 -2.531 6.781 530 HE2 LYS 102 HE2 LYS 102 18.187 -1.718 5.854 531 HE3 LYS 102 HE1 LYS 102 18.369 -0.570 7.178 532 HZ1 LYS 102 HZ1 LYS 102 18.559 -2.502 8.708 533 HZ2 LYS 102 HZ2 LYS 102 19.763 -2.412 7.566 534 HZ3 LYS 102 HZ3 LYS 102 18.566 -3.553 7.375 535 H GLY 103 HN GLY 103 11.669 0.706 4.613 536 HA2 GLY 103 HA2 GLY 103 9.735 2.098 6.119 537 HA3 GLY 103 HA1 GLY 103 9.414 1.134 4.698 538 H ASN 104 HN ASN 104 10.055 -1.369 5.620 539 HA ASN 104 HA ASN 104 8.710 -1.798 8.119 540 HB2 ASN 104 HB2 ASN 104 6.833 -1.784 6.436 541 HB3 ASN 104 HB1 ASN 104 7.644 -3.093 5.583 542 HD21 ASN 104 HD21 ASN 104 7.572 -5.153 6.443 543 HD22 ASN 104 HD22 ASN 104 6.551 -5.589 7.761 544 H TYR 105 HN TYR 105 10.607 -2.498 8.766 545 HA TYR 105 HA TYR 105 12.020 -4.517 7.264 546 HB2 TYR 105 HB2 TYR 105 13.014 -2.439 8.453 547 HB3 TYR 105 HB1 TYR 105 12.769 -3.347 9.935 548 HD1 TYR 105 HD2 TYR 105 13.925 -4.528 6.616 549 HD2 TYR 105 HD1 TYR 105 14.931 -3.824 10.677 550 HE1 TYR 105 HE2 TYR 105 16.092 -5.564 6.240 551 HE2 TYR 105 HE1 TYR 105 17.132 -4.868 10.308 552 HH TYR 105 HH TYR 105 18.208 -6.388 8.783 553 H ASP 106 HN ASP 106 10.544 -6.178 7.465 554 HA ASP 106 HA ASP 106 9.477 -7.023 9.924 555 HB2 ASP 106 HB2 ASP 106 8.725 -9.085 8.680 556 HB3 ASP 106 HB1 ASP 106 8.204 -7.571 7.974 557 H GLU 107 HN GLU 107 10.964 -7.318 11.362 558 HA GLU 107 HA GLU 107 12.746 -9.626 11.063 559 HB2 GLU 107 HB2 GLU 107 13.093 -7.127 12.750 560 HB3 GLU 107 HB1 GLU 107 14.146 -8.523 12.800 561 HG2 GLU 107 HG2 GLU 107 13.721 -6.820 10.363 562 HG3 GLU 107 HG1 GLU 107 15.046 -6.613 11.505 Start of MODEL 7 1 H1 ARG 36 HT1 ARG 36 -25.910 -2.644 9.656 2 H2 ARG 36 HT2 ARG 36 -25.384 -2.267 8.084 3 H3 ARG 36 HT3 ARG 36 -24.332 -2.160 9.371 4 HA ARG 36 HA ARG 36 -24.342 -4.486 9.732 5 HB2 ARG 36 HB2 ARG 36 -25.930 -4.705 7.152 6 HB3 ARG 36 HB1 ARG 36 -25.422 -6.019 8.190 7 HG2 ARG 36 HG2 ARG 36 -27.662 -5.887 8.688 8 HG3 ARG 36 HG1 ARG 36 -26.992 -4.828 9.928 9 HD2 ARG 36 HD2 ARG 36 -28.907 -3.754 8.925 10 HD3 ARG 36 HD1 ARG 36 -27.440 -2.893 8.456 11 HE ARG 36 HE ARG 36 -28.417 -4.925 6.648 12 HH11 ARG 36 HH11 ARG 36 -28.052 -1.434 7.303 13 HH12 ARG 36 HH12 ARG 36 -28.556 -0.972 5.758 14 HH21 ARG 36 HH21 ARG 36 -29.129 -4.216 4.533 15 HH22 ARG 36 HH22 ARG 36 -29.188 -2.559 4.168 16 H ALA 37 HN ALA 37 -22.219 -4.341 9.336 17 HA ALA 37 HA ALA 37 -20.241 -4.546 8.305 18 HB1 ALA 37 HB1 ALA 37 -20.078 -5.509 6.078 19 HB2 ALA 37 HB2 ALA 37 -21.790 -5.194 5.795 20 HB3 ALA 37 HB3 ALA 37 -21.299 -6.359 7.025 21 H GLN 38 HN GLN 38 -18.732 -3.181 7.498 22 HA GLN 38 HA GLN 38 -19.710 -0.711 6.337 23 HB2 GLN 38 HB2 GLN 38 -16.929 -1.545 7.193 24 HB3 GLN 38 HB1 GLN 38 -17.310 0.020 6.489 25 HG2 GLN 38 HG2 GLN 38 -18.825 0.478 8.354 26 HG3 GLN 38 HG1 GLN 38 -18.421 -1.083 9.054 27 HE21 GLN 38 HE21 GLN 38 -16.026 1.019 7.479 28 HE22 GLN 38 HE22 GLN 38 -15.205 1.374 8.942 29 H VAL 39 HN VAL 39 -20.341 -1.178 4.358 30 HA VAL 39 HA VAL 39 -18.499 -2.618 2.622 31 HB VAL 39 HB VAL 39 -20.337 -2.922 1.059 32 HG11 VAL 39 HG11 VAL 39 -20.102 -4.569 2.809 33 HG12 VAL 39 HG12 VAL 39 -21.810 -4.330 2.437 34 HG13 VAL 39 HG13 VAL 39 -21.114 -3.606 3.885 35 HG21 VAL 39 HG21 VAL 39 -21.537 -0.829 1.381 36 HG22 VAL 39 HG22 VAL 39 -21.998 -1.321 3.008 37 HG23 VAL 39 HG23 VAL 39 -22.631 -2.196 1.611 38 H LYS 40 HN LYS 40 -19.183 0.549 3.330 39 HA LYS 40 HA LYS 40 -18.570 1.313 0.564 40 HB2 LYS 40 HB2 LYS 40 -20.815 2.077 1.626 41 HB3 LYS 40 HB1 LYS 40 -19.830 3.198 2.555 42 HG2 LYS 40 HG2 LYS 40 -20.660 4.370 0.658 43 HG3 LYS 40 HG1 LYS 40 -18.937 4.078 0.382 44 HD2 LYS 40 HD2 LYS 40 -19.572 2.057 -0.957 45 HD3 LYS 40 HD1 LYS 40 -21.257 2.531 -0.775 46 HE2 LYS 40 HE2 LYS 40 -19.076 4.090 -2.149 47 HE3 LYS 40 HE1 LYS 40 -20.395 3.211 -2.912 48 HZ1 LYS 40 HZ1 LYS 40 -20.630 5.644 -1.221 49 HZ2 LYS 40 HZ2 LYS 40 -21.945 4.769 -1.806 50 HZ3 LYS 40 HZ3 LYS 40 -20.899 5.517 -2.882 51 H GLU 41 HN GLU 41 -16.461 0.624 1.663 52 HA GLU 41 HA GLU 41 -15.147 2.689 3.244 53 HB2 GLU 41 HB2 GLU 41 -14.176 0.088 2.070 54 HB3 GLU 41 HB1 GLU 41 -13.276 1.106 3.181 55 HG2 GLU 41 HG2 GLU 41 -15.926 -0.102 3.864 56 HG3 GLU 41 HG1 GLU 41 -14.384 -0.908 4.142 57 H THR 42 HN THR 42 -13.276 3.828 2.350 58 HA THR 42 HA THR 42 -13.162 3.464 -0.539 59 HB THR 42 HB THR 42 -12.226 6.097 0.368 60 HG1 THR 42 HG1 THR 42 -14.307 5.413 1.583 61 HG21 THR 42 HG21 THR 42 -13.533 6.791 -1.616 62 HG22 THR 42 HG22 THR 42 -14.141 5.137 -1.757 63 HG23 THR 42 HG23 THR 42 -12.423 5.465 -1.981 64 H CYS 43 HN CYS 43 -11.079 3.568 -1.467 65 HA CYS 43 HA CYS 43 -9.053 2.587 0.329 66 HB2 CYS 43 HB2 CYS 43 -9.251 1.141 -1.325 67 HB3 CYS 43 HB1 CYS 43 -9.786 2.306 -2.501 68 H ALA 44 HN ALA 44 -6.940 3.301 0.330 69 HA ALA 44 HA ALA 44 -6.552 6.121 -0.353 70 HB1 ALA 44 HB1 ALA 44 -4.784 4.349 1.288 71 HB2 ALA 44 HB2 ALA 44 -6.111 5.352 1.914 72 HB3 ALA 44 HB3 ALA 44 -4.727 6.108 1.106 73 H ALA 45 HN ALA 45 -5.387 2.944 -1.310 74 HA ALA 45 HA ALA 45 -2.954 4.056 -2.378 75 HB1 ALA 45 HB1 ALA 45 -2.317 1.808 -2.874 76 HB2 ALA 45 HB2 ALA 45 -3.956 1.229 -2.575 77 HB3 ALA 45 HB3 ALA 45 -2.986 1.874 -1.241 78 H CYS 46 HN CYS 46 -6.067 3.191 -3.497 79 HA CYS 46 HA CYS 46 -5.259 4.132 -6.101 80 HB2 CYS 46 HB2 CYS 46 -5.521 1.993 -7.226 81 HB3 CYS 46 HB1 CYS 46 -5.317 1.661 -5.684 82 H GLN 47 HN GLN 47 -7.101 4.705 -3.649 83 HA GLN 47 HA GLN 47 -9.040 5.602 -3.134 84 HB2 GLN 47 HB2 GLN 47 -8.352 7.256 -5.541 85 HB3 GLN 47 HB1 GLN 47 -9.570 7.642 -4.309 86 HG2 GLN 47 HG2 GLN 47 -7.977 7.761 -2.602 87 HG3 GLN 47 HG1 GLN 47 -6.724 7.074 -3.628 88 HE21 GLN 47 HE21 GLN 47 -6.711 9.544 -2.121 89 HE22 GLN 47 HE22 GLN 47 -6.504 10.840 -3.236 90 H LYS 48 HN LYS 48 -9.762 3.380 -4.227 91 HA LYS 48 HA LYS 48 -12.163 3.926 -5.840 92 HB2 LYS 48 HB2 LYS 48 -10.575 1.345 -5.587 93 HB3 LYS 48 HB1 LYS 48 -12.012 1.574 -6.566 94 HG2 LYS 48 HG2 LYS 48 -9.372 2.955 -6.973 95 HG3 LYS 48 HG1 LYS 48 -9.941 1.541 -7.851 96 HD2 LYS 48 HD2 LYS 48 -11.337 4.179 -7.762 97 HD3 LYS 48 HD1 LYS 48 -10.216 3.728 -9.049 98 HE2 LYS 48 HE2 LYS 48 -12.809 2.315 -8.358 99 HE3 LYS 48 HE1 LYS 48 -12.520 3.342 -9.760 100 HZ1 LYS 48 HZ1 LYS 48 -10.857 1.753 -10.517 101 HZ2 LYS 48 HZ2 LYS 48 -12.356 1.056 -10.414 102 HZ3 LYS 48 HZ3 LYS 48 -11.194 0.716 -9.232 103 H THR 49 HN THR 49 -14.082 2.795 -5.025 104 HA THR 49 HA THR 49 -14.127 2.616 -2.220 105 HB THR 49 HB THR 49 -16.156 1.426 -4.013 106 HG1 THR 49 HG1 THR 49 -16.257 3.398 -4.911 107 HG21 THR 49 HG21 THR 49 -16.579 1.166 -1.676 108 HG22 THR 49 HG22 THR 49 -17.663 2.458 -2.232 109 HG23 THR 49 HG23 THR 49 -16.135 2.845 -1.399 110 H VAL 50 HN VAL 50 -13.834 0.920 -0.935 111 HA VAL 50 HA VAL 50 -13.021 -1.593 -2.193 112 HB VAL 50 HB VAL 50 -12.660 -1.432 0.738 113 HG11 VAL 50 HG11 VAL 50 -10.935 -2.164 -1.558 114 HG12 VAL 50 HG12 VAL 50 -11.817 -3.237 -0.462 115 HG13 VAL 50 HG13 VAL 50 -10.472 -2.255 0.131 116 HG21 VAL 50 HG21 VAL 50 -12.191 0.915 0.209 117 HG22 VAL 50 HG22 VAL 50 -11.170 0.404 -1.119 118 HG23 VAL 50 HG23 VAL 50 -10.668 0.073 0.551 119 H TYR 51 HN TYR 51 -14.265 -3.368 -1.797 120 HA TYR 51 HA TYR 51 -16.503 -3.046 0.049 121 HB2 TYR 51 HB2 TYR 51 -16.210 -4.943 -2.311 122 HB3 TYR 51 HB1 TYR 51 -17.668 -4.683 -1.353 123 HD1 TYR 51 HD1 TYR 51 -18.285 -2.138 -1.230 124 HD2 TYR 51 HD2 TYR 51 -16.157 -3.932 -4.376 125 HE1 TYR 51 HE1 TYR 51 -19.032 -0.307 -2.747 126 HE2 TYR 51 HE2 TYR 51 -16.856 -2.142 -5.916 127 HH TYR 51 HH TYR 51 -18.353 0.725 -4.785 128 HA PRO 52 HA PRO 52 -14.890 -5.907 2.966 129 HB2 PRO 52 HB2 PRO 52 -16.950 -7.866 2.212 130 HB3 PRO 52 HB1 PRO 52 -16.471 -7.336 3.828 131 HG2 PRO 52 HG2 PRO 52 -18.700 -6.374 2.762 132 HG3 PRO 52 HG1 PRO 52 -17.600 -5.292 3.637 133 HD2 PRO 52 HD2 PRO 52 -18.079 -5.538 0.707 134 HD3 PRO 52 HD1 PRO 52 -17.640 -4.115 1.658 135 H MET 53 HN MET 53 -15.781 -7.542 -0.014 136 HA MET 53 HA MET 53 -14.189 -9.850 0.194 137 HB2 MET 53 HB2 MET 53 -15.985 -9.554 -1.381 138 HB3 MET 53 HB1 MET 53 -15.076 -8.306 -2.225 139 HG2 MET 53 HG2 MET 53 -13.354 -10.022 -2.709 140 HG3 MET 53 HG1 MET 53 -14.419 -11.222 -2.000 141 HE1 MET 53 HE1 MET 53 -15.569 -8.108 -4.192 142 HE2 MET 53 HE2 MET 53 -15.554 -8.826 -5.800 143 HE3 MET 53 HE3 MET 53 -14.042 -8.607 -4.921 144 H GLU 54 HN GLU 54 -13.347 -6.572 -0.782 145 HA GLU 54 HA GLU 54 -10.656 -7.463 -1.602 146 HB2 GLU 54 HB2 GLU 54 -12.076 -4.878 -2.161 147 HB3 GLU 54 HB1 GLU 54 -10.571 -5.414 -2.868 148 HG2 GLU 54 HG2 GLU 54 -11.744 -7.257 -3.954 149 HG3 GLU 54 HG1 GLU 54 -13.254 -6.698 -3.252 150 H ARG 55 HN ARG 55 -12.464 -5.811 0.724 151 HA ARG 55 HA ARG 55 -10.681 -3.757 1.413 152 HB2 ARG 55 HB2 ARG 55 -12.863 -3.331 1.880 153 HB3 ARG 55 HB1 ARG 55 -13.148 -4.843 2.682 154 HG2 ARG 55 HG2 ARG 55 -11.486 -3.856 4.451 155 HG3 ARG 55 HG1 ARG 55 -11.833 -2.332 3.630 156 HD2 ARG 55 HD2 ARG 55 -14.274 -2.874 3.917 157 HD3 ARG 55 HD1 ARG 55 -13.779 -4.171 4.980 158 HE ARG 55 HE ARG 55 -13.249 -1.314 5.479 159 HH11 ARG 55 HH11 ARG 55 -13.669 -4.569 6.819 160 HH12 ARG 55 HH12 ARG 55 -13.959 -3.988 8.397 161 HH21 ARG 55 HH21 ARG 55 -13.677 -0.575 7.515 162 HH22 ARG 55 HH22 ARG 55 -13.988 -1.653 8.824 163 H LEU 56 HN LEU 56 -8.852 -4.070 2.049 164 HA LEU 56 HA LEU 56 -8.305 -5.795 4.320 165 HB2 LEU 56 HB2 LEU 56 -7.203 -6.548 2.285 166 HB3 LEU 56 HB1 LEU 56 -6.658 -4.934 1.935 167 HG LEU 56 HG LEU 56 -5.613 -6.354 4.381 168 HD11 LEU 56 HD11 LEU 56 -5.406 -7.833 2.376 169 HD12 LEU 56 HD12 LEU 56 -3.878 -7.259 3.054 170 HD13 LEU 56 HD13 LEU 56 -4.522 -6.507 1.594 171 HD21 LEU 56 HD21 LEU 56 -3.675 -4.989 3.932 172 HD22 LEU 56 HD22 LEU 56 -5.111 -3.966 4.016 173 HD23 LEU 56 HD23 LEU 56 -4.408 -4.376 2.450 174 H VAL 57 HN VAL 57 -6.822 -4.795 5.857 175 HA VAL 57 HA VAL 57 -6.581 -1.937 5.467 176 HB VAL 57 HB VAL 57 -8.357 -2.122 7.059 177 HG11 VAL 57 HG11 VAL 57 -8.179 -3.274 9.198 178 HG12 VAL 57 HG12 VAL 57 -6.623 -3.948 8.693 179 HG13 VAL 57 HG13 VAL 57 -8.103 -4.357 7.810 180 HG21 VAL 57 HG21 VAL 57 -5.796 -1.408 8.488 181 HG22 VAL 57 HG22 VAL 57 -7.408 -0.952 9.047 182 HG23 VAL 57 HG23 VAL 57 -6.799 -0.338 7.519 183 H ALA 58 HN ALA 58 -4.591 -1.546 5.093 184 HA ALA 58 HA ALA 58 -2.528 -2.890 6.742 185 HB1 ALA 58 HB1 ALA 58 -2.319 -3.301 4.203 186 HB2 ALA 58 HB2 ALA 58 -0.927 -2.533 4.924 187 HB3 ALA 58 HB3 ALA 58 -2.059 -1.562 4.034 188 H ASP 59 HN ASP 59 -1.189 -1.531 7.919 189 HA ASP 59 HA ASP 59 -0.654 0.358 9.050 190 HB2 ASP 59 HB2 ASP 59 -0.636 2.195 6.698 191 HB3 ASP 59 HB1 ASP 59 0.373 1.833 8.020 192 H LYS 60 HN LYS 60 -3.331 -0.180 8.895 193 HA LYS 60 HA LYS 60 -5.290 0.582 9.663 194 HB2 LYS 60 HB2 LYS 60 -3.869 1.931 11.209 195 HB3 LYS 60 HB1 LYS 60 -3.947 3.218 10.011 196 HG2 LYS 60 HG2 LYS 60 -6.312 3.433 10.316 197 HG3 LYS 60 HG1 LYS 60 -6.324 2.050 11.410 198 HD2 LYS 60 HD2 LYS 60 -6.398 4.130 12.691 199 HD3 LYS 60 HD1 LYS 60 -4.837 3.347 12.949 200 HE2 LYS 60 HE2 LYS 60 -3.854 4.848 11.224 201 HE3 LYS 60 HE1 LYS 60 -5.414 5.655 11.079 202 HZ1 LYS 60 HZ1 LYS 60 -5.218 6.247 13.446 203 HZ2 LYS 60 HZ2 LYS 60 -3.990 6.901 12.514 204 HZ3 LYS 60 HZ3 LYS 60 -3.675 5.552 13.472 205 H LEU 61 HN LEU 61 -3.957 1.593 6.841 206 HA LEU 61 HA LEU 61 -6.157 3.263 5.973 207 HB2 LEU 61 HB2 LEU 61 -3.908 1.994 4.504 208 HB3 LEU 61 HB1 LEU 61 -5.063 3.116 3.805 209 HG LEU 61 HG LEU 61 -3.127 3.822 6.014 210 HD11 LEU 61 HD11 LEU 61 -1.898 4.994 4.278 211 HD12 LEU 61 HD12 LEU 61 -3.057 4.431 3.076 212 HD13 LEU 61 HD13 LEU 61 -2.014 3.268 3.901 213 HD21 LEU 61 HD21 LEU 61 -4.896 5.522 4.258 214 HD22 LEU 61 HD22 LEU 61 -3.760 6.114 5.468 215 HD23 LEU 61 HD23 LEU 61 -5.172 5.182 5.967 216 H ILE 62 HN ILE 62 -7.810 2.599 4.664 217 HA ILE 62 HA ILE 62 -8.158 -0.291 4.601 218 HB ILE 62 HB ILE 62 -10.236 1.803 3.895 219 HG12 ILE 62 HG12 ILE 62 -9.405 2.178 6.213 220 HG13 ILE 62 HG11 ILE 62 -11.100 1.714 6.134 221 HG21 ILE 62 HG21 ILE 62 -11.771 0.010 4.467 222 HG22 ILE 62 HG22 ILE 62 -10.372 -0.990 4.883 223 HG23 ILE 62 HG23 ILE 62 -10.629 -0.498 3.194 224 HD11 ILE 62 HD11 ILE 62 -9.981 0.618 7.988 225 HD12 ILE 62 HD12 ILE 62 -8.786 -0.053 6.876 226 HD13 ILE 62 HD13 ILE 62 -10.466 -0.573 6.776 227 H PHE 63 HN PHE 63 -7.717 -1.265 2.729 228 HA PHE 63 HA PHE 63 -8.656 -0.236 0.342 229 HB2 PHE 63 HB2 PHE 63 -6.475 0.002 -0.938 230 HB3 PHE 63 HB1 PHE 63 -6.935 1.187 0.276 231 HD1 PHE 63 HD2 PHE 63 -5.225 -2.022 1.128 232 HD2 PHE 63 HD1 PHE 63 -5.069 2.195 0.660 233 HE1 PHE 63 HE2 PHE 63 -3.063 -1.958 2.273 234 HE2 PHE 63 HE1 PHE 63 -2.947 2.253 1.778 235 HZ PHE 63 HZ PHE 63 -1.894 0.251 2.588 236 H HIS 64 HN HIS 64 -8.112 -1.370 -1.593 237 HA HIS 64 HA HIS 64 -8.672 -4.073 -1.497 238 HB2 HIS 64 HB2 HIS 64 -7.219 -2.544 -3.682 239 HB3 HIS 64 HB1 HIS 64 -8.189 -3.994 -3.892 240 HD2 HIS 64 HD2 HIS 64 -10.878 -3.511 -4.109 241 HE1 HIS 64 HE1 HIS 64 -10.617 0.691 -3.774 242 HE2 HIS 64 HE2 HIS 64 -12.147 -1.256 -4.314 243 H ASN 65 HN ASN 65 -7.417 -5.744 -1.284 244 HA ASN 65 HA ASN 65 -4.886 -5.645 -0.172 245 HB2 ASN 65 HB2 ASN 65 -4.824 -8.084 -0.380 246 HB3 ASN 65 HB1 ASN 65 -6.403 -7.536 0.151 247 HD21 ASN 65 HD21 ASN 65 -4.621 -9.111 -2.340 248 HD22 ASN 65 HD22 ASN 65 -5.962 -9.622 -3.283 249 H SER 66 HN SER 66 -5.758 -6.175 -3.523 250 HA SER 66 HA SER 66 -3.124 -6.734 -4.389 251 HB2 SER 66 HB2 SER 66 -4.275 -6.557 -6.583 252 HB3 SER 66 HB1 SER 66 -4.772 -7.842 -5.486 253 HG SER 66 HG SER 66 -6.678 -7.032 -5.928 254 H CYS 67 HN CYS 67 -4.426 -3.644 -3.609 255 HA CYS 67 HA CYS 67 -3.480 -2.594 -6.164 256 HB2 CYS 67 HB2 CYS 67 -4.603 -0.466 -5.561 257 HB3 CYS 67 HB1 CYS 67 -5.697 -1.852 -5.779 258 H PHE 68 HN PHE 68 -2.402 -2.472 -2.915 259 HA PHE 68 HA PHE 68 -1.036 -0.021 -3.528 260 HB2 PHE 68 HB2 PHE 68 0.055 -0.341 -1.283 261 HB3 PHE 68 HB1 PHE 68 -1.681 0.066 -1.242 262 HD1 PHE 68 HD2 PHE 68 -2.978 -2.472 -1.224 263 HD2 PHE 68 HD1 PHE 68 0.856 -1.464 0.278 264 HE1 PHE 68 HE2 PHE 68 -3.121 -4.342 0.411 265 HE2 PHE 68 HE1 PHE 68 0.718 -3.312 1.893 266 HZ PHE 68 HZ PHE 68 -1.228 -4.738 1.946 267 H CYS 69 HN CYS 69 0.347 -0.261 -4.976 268 HA CYS 69 HA CYS 69 2.479 -2.242 -4.691 269 HB2 CYS 69 HB2 CYS 69 1.776 -0.548 -7.121 270 HB3 CYS 69 HB1 CYS 69 2.901 -1.874 -7.015 271 HG CYS 69 HG CYS 69 -0.471 -2.170 -6.672 272 H CYS 70 HN CYS 70 4.619 -1.351 -5.438 273 HA CYS 70 HA CYS 70 5.359 0.850 -3.887 274 HB2 CYS 70 HB2 CYS 70 7.002 -0.653 -4.382 275 HB3 CYS 70 HB1 CYS 70 6.794 -0.619 -6.111 276 H LYS 71 HN LYS 71 5.545 2.814 -4.199 277 HA LYS 71 HA LYS 71 3.953 4.086 -6.142 278 HB2 LYS 71 HB2 LYS 71 4.387 4.846 -3.742 279 HB3 LYS 71 HB1 LYS 71 5.939 5.351 -4.350 280 HG2 LYS 71 HG2 LYS 71 4.576 7.332 -4.279 281 HG3 LYS 71 HG1 LYS 71 4.794 6.851 -5.942 282 HD2 LYS 71 HD2 LYS 71 2.349 5.956 -4.475 283 HD3 LYS 71 HD1 LYS 71 2.449 7.607 -5.071 284 HE2 LYS 71 HE2 LYS 71 3.077 6.619 -7.265 285 HE3 LYS 71 HE1 LYS 71 2.563 5.056 -6.660 286 HZ1 LYS 71 HZ1 LYS 71 0.826 7.434 -6.808 287 HZ2 LYS 71 HZ2 LYS 71 0.357 5.930 -6.233 288 HZ3 LYS 71 HZ3 LYS 71 0.781 6.122 -7.856 289 H HIS 72 HN HIS 72 7.296 3.330 -5.945 290 HA HIS 72 HA HIS 72 7.890 5.296 -7.999 291 HB2 HIS 72 HB2 HIS 72 9.245 4.979 -5.879 292 HB3 HIS 72 HB1 HIS 72 9.915 3.538 -6.642 293 HD2 HIS 72 HD2 HIS 72 11.504 4.107 -8.956 294 HE1 HIS 72 HE1 HIS 72 12.057 8.150 -7.840 295 HE2 HIS 72 HE2 HIS 72 12.654 6.354 -9.518 296 H CYS 73 HN CYS 73 7.465 1.816 -7.640 297 HA CYS 73 HA CYS 73 7.781 1.583 -10.471 298 HB2 CYS 73 HB2 CYS 73 9.227 -0.330 -10.346 299 HB3 CYS 73 HB1 CYS 73 9.849 0.919 -9.349 300 H HIS 74 HN HIS 74 6.203 0.002 -11.216 301 HA HIS 74 HA HIS 74 4.093 -0.394 -9.286 302 HB2 HIS 74 HB2 HIS 74 3.741 0.317 -11.670 303 HB3 HIS 74 HB1 HIS 74 4.171 -1.327 -12.142 304 HD1 HIS 74 HD1 HIS 74 2.207 -2.764 -12.478 305 HD2 HIS 74 HD2 HIS 74 1.466 0.226 -9.711 306 HE1 HIS 74 HE1 HIS 74 -0.194 -3.067 -11.772 307 HE2 HIS 74 HE2 HIS 74 -0.643 -1.164 -10.192 308 H THR 75 HN THR 75 5.865 -1.660 -8.272 309 HA THR 75 HA THR 75 5.881 -4.514 -8.733 310 HB THR 75 HB THR 75 7.269 -2.520 -7.054 311 HG1 THR 75 HG1 THR 75 8.756 -2.909 -8.322 312 HG21 THR 75 HG21 THR 75 6.775 -3.953 -5.336 313 HG22 THR 75 HG22 THR 75 8.450 -4.313 -5.760 314 HG23 THR 75 HG23 THR 75 7.143 -5.428 -6.245 315 H LYS 76 HN LYS 76 4.316 -5.793 -7.861 316 HA LYS 76 HA LYS 76 2.459 -4.734 -5.942 317 HB2 LYS 76 HB2 LYS 76 1.907 -6.305 -7.915 318 HB3 LYS 76 HB1 LYS 76 2.633 -7.578 -6.951 319 HG2 LYS 76 HG2 LYS 76 0.243 -5.954 -6.043 320 HG3 LYS 76 HG1 LYS 76 0.102 -7.465 -6.923 321 HD2 LYS 76 HD2 LYS 76 1.454 -7.133 -4.234 322 HD3 LYS 76 HD1 LYS 76 -0.191 -7.722 -4.469 323 HE2 LYS 76 HE2 LYS 76 0.670 -9.625 -5.740 324 HE3 LYS 76 HE1 LYS 76 2.308 -9.010 -5.559 325 HZ1 LYS 76 HZ1 LYS 76 0.557 -9.901 -3.328 326 HZ2 LYS 76 HZ2 LYS 76 2.146 -9.334 -3.175 327 HZ3 LYS 76 HZ3 LYS 76 1.845 -10.754 -3.991 328 H LEU 77 HN LEU 77 3.576 -4.398 -4.230 329 HA LEU 77 HA LEU 77 5.111 -6.462 -2.872 330 HB2 LEU 77 HB2 LEU 77 6.080 -4.535 -1.632 331 HB3 LEU 77 HB1 LEU 77 6.061 -4.418 -3.384 332 HG LEU 77 HG LEU 77 4.313 -2.860 -3.512 333 HD11 LEU 77 HD11 LEU 77 4.435 -2.666 -0.581 334 HD12 LEU 77 HD12 LEU 77 3.055 -3.394 -1.410 335 HD13 LEU 77 HD13 LEU 77 3.435 -1.661 -1.615 336 HD21 LEU 77 HD21 LEU 77 6.612 -2.231 -3.298 337 HD22 LEU 77 HD22 LEU 77 6.346 -1.998 -1.557 338 HD23 LEU 77 HD23 LEU 77 5.467 -1.018 -2.736 339 H SER 78 HN SER 78 2.038 -5.389 -2.913 340 HA SER 78 HA SER 78 1.179 -4.797 -0.419 341 HB2 SER 78 HB2 SER 78 -0.331 -6.607 -2.108 342 HB3 SER 78 HB1 SER 78 -0.836 -5.099 -1.349 343 HG SER 78 HG SER 78 0.332 -3.936 -2.906 344 H LEU 79 HN LEU 79 0.831 -5.878 1.344 345 HA LEU 79 HA LEU 79 1.015 -7.403 2.939 346 HB2 LEU 79 HB2 LEU 79 -1.127 -7.808 1.243 347 HB3 LEU 79 HB1 LEU 79 -0.683 -9.389 1.888 348 HG LEU 79 HG LEU 79 -2.384 -8.335 3.308 349 HD11 LEU 79 HD11 LEU 79 -1.267 -8.489 5.462 350 HD12 LEU 79 HD12 LEU 79 0.295 -8.382 4.663 351 HD13 LEU 79 HD13 LEU 79 -0.745 -9.786 4.381 352 HD21 LEU 79 HD21 LEU 79 -0.383 -6.088 3.505 353 HD22 LEU 79 HD22 LEU 79 -1.674 -6.328 4.674 354 HD23 LEU 79 HD23 LEU 79 -2.078 -6.037 2.984 355 H GLY 80 HN GLY 80 3.156 -7.788 1.254 356 HA2 GLY 80 HA2 GLY 80 3.668 -10.595 1.947 357 HA3 GLY 80 HA1 GLY 80 4.302 -9.875 0.458 358 H SER 81 HN SER 81 5.462 -7.870 0.746 359 HA SER 81 HA SER 81 6.599 -7.367 3.311 360 HB2 SER 81 HB2 SER 81 8.956 -7.581 2.493 361 HB3 SER 81 HB1 SER 81 8.084 -9.108 2.587 362 HG SER 81 HG SER 81 8.084 -9.306 0.502 363 H TYR 82 HN TYR 82 6.212 -5.171 3.400 364 HA TYR 82 HA TYR 82 6.997 -3.715 1.052 365 HB2 TYR 82 HB2 TYR 82 4.928 -2.457 1.119 366 HB3 TYR 82 HB1 TYR 82 4.606 -4.161 0.847 367 HD1 TYR 82 HD1 TYR 82 4.701 -1.573 3.400 368 HD2 TYR 82 HD2 TYR 82 2.868 -5.231 2.249 369 HE1 TYR 82 HE1 TYR 82 3.011 -1.293 5.186 370 HE2 TYR 82 HE2 TYR 82 1.243 -5.000 4.030 371 HH TYR 82 HH TYR 82 0.878 -2.000 5.683 372 H ALA 83 HN ALA 83 7.090 -1.436 1.546 373 HA ALA 83 HA ALA 83 7.513 -0.925 4.370 374 HB1 ALA 83 HB1 ALA 83 9.674 -1.075 3.172 375 HB2 ALA 83 HB2 ALA 83 9.370 0.550 3.772 376 HB3 ALA 83 HB3 ALA 83 9.143 0.191 2.066 377 H ALA 84 HN ALA 84 6.117 0.580 4.966 378 HA ALA 84 HA ALA 84 4.991 2.177 2.814 379 HB1 ALA 84 HB1 ALA 84 2.968 2.354 4.160 380 HB2 ALA 84 HB2 ALA 84 3.705 1.345 5.404 381 HB3 ALA 84 HB3 ALA 84 3.372 0.675 3.808 382 H LEU 85 HN LEU 85 5.231 4.285 2.962 383 HA LEU 85 HA LEU 85 6.116 5.396 5.504 384 HB2 LEU 85 HB2 LEU 85 7.797 5.610 3.731 385 HB3 LEU 85 HB1 LEU 85 6.642 6.373 2.665 386 HG LEU 85 HG LEU 85 6.475 8.113 4.564 387 HD11 LEU 85 HD11 LEU 85 7.718 6.817 6.198 388 HD12 LEU 85 HD12 LEU 85 8.363 8.428 5.874 389 HD13 LEU 85 HD13 LEU 85 9.162 6.996 5.168 390 HD21 LEU 85 HD21 LEU 85 7.430 8.642 2.402 391 HD22 LEU 85 HD22 LEU 85 8.980 7.959 2.917 392 HD23 LEU 85 HD23 LEU 85 8.329 9.391 3.725 393 H HIS 86 HN HIS 86 5.054 7.324 6.005 394 HA HIS 86 HA HIS 86 2.406 7.649 5.431 395 HB2 HIS 86 HB2 HIS 86 2.806 10.147 5.980 396 HB3 HIS 86 HB1 HIS 86 3.209 8.965 7.211 397 HD1 HIS 86 HD1 HIS 86 5.354 9.439 8.313 398 HD2 HIS 86 HD2 HIS 86 5.431 10.699 4.372 399 HE1 HIS 86 HE1 HIS 86 7.635 10.500 7.938 400 HE2 HIS 86 HE2 HIS 86 7.595 11.282 5.572 401 H GLY 87 HN GLY 87 1.367 7.951 3.664 402 HA2 GLY 87 HA2 GLY 87 0.719 9.230 1.807 403 HA3 GLY 87 HA1 GLY 87 2.369 9.803 1.655 404 H GLU 88 HN GLU 88 3.722 7.220 1.645 405 HA GLU 88 HA GLU 88 2.715 6.288 -0.948 406 HB2 GLU 88 HB2 GLU 88 5.644 6.939 -0.484 407 HB3 GLU 88 HB1 GLU 88 4.867 6.422 -1.954 408 HG2 GLU 88 HG2 GLU 88 3.631 8.418 -2.188 409 HG3 GLU 88 HG1 GLU 88 4.107 8.970 -0.591 410 H PHE 89 HN PHE 89 3.082 4.148 -1.421 411 HA PHE 89 HA PHE 89 4.180 2.465 0.695 412 HB2 PHE 89 HB2 PHE 89 2.506 1.813 -1.768 413 HB3 PHE 89 HB1 PHE 89 2.896 0.679 -0.478 414 HD1 PHE 89 HD1 PHE 89 1.678 0.872 1.742 415 HD2 PHE 89 HD2 PHE 89 0.879 3.550 -1.515 416 HE1 PHE 89 HE1 PHE 89 -0.268 1.714 2.896 417 HE2 PHE 89 HE2 PHE 89 -1.092 4.387 -0.309 418 HZ PHE 89 HZ PHE 89 -1.641 3.517 1.858 419 H TYR 90 HN TYR 90 6.155 1.565 0.287 420 HA TYR 90 HA TYR 90 7.229 2.082 -2.405 421 HB2 TYR 90 HB2 TYR 90 7.647 3.341 -0.061 422 HB3 TYR 90 HB1 TYR 90 9.145 2.398 -0.145 423 HD1 TYR 90 HD1 TYR 90 6.731 4.684 -1.854 424 HD2 TYR 90 HD2 TYR 90 10.835 3.572 -1.502 425 HE1 TYR 90 HE1 TYR 90 7.331 6.572 -3.208 426 HE2 TYR 90 HE2 TYR 90 11.480 5.489 -2.836 427 HH TYR 90 HH TYR 90 10.424 7.006 -4.589 428 H CYS 91 HN CYS 91 8.707 0.464 -3.097 429 HA CYS 91 HA CYS 91 8.335 -2.036 -1.771 430 HB2 CYS 91 HB2 CYS 91 9.754 -3.054 -3.497 431 HB3 CYS 91 HB1 CYS 91 8.590 -2.025 -4.274 432 H LYS 92 HN LYS 92 10.165 -3.333 -0.925 433 HA LYS 92 HA LYS 92 11.649 -1.951 0.927 434 HB2 LYS 92 HB2 LYS 92 12.454 -4.596 -0.294 435 HB3 LYS 92 HB1 LYS 92 13.038 -3.952 1.225 436 HG2 LYS 92 HG2 LYS 92 10.792 -4.111 2.167 437 HG3 LYS 92 HG1 LYS 92 10.191 -4.713 0.629 438 HD2 LYS 92 HD2 LYS 92 12.284 -6.048 2.345 439 HD3 LYS 92 HD1 LYS 92 10.598 -6.537 2.251 440 HE2 LYS 92 HE2 LYS 92 12.551 -6.537 -0.059 441 HE3 LYS 92 HE1 LYS 92 12.133 -7.954 0.870 442 HZ1 LYS 92 HZ1 LYS 92 10.929 -7.863 -1.199 443 HZ2 LYS 92 HZ2 LYS 92 10.237 -6.377 -0.823 444 HZ3 LYS 92 HZ3 LYS 92 9.836 -7.753 0.070 445 HA PRO 93 HA PRO 93 15.568 -2.050 -2.096 446 HB2 PRO 93 HB2 PRO 93 14.138 -1.827 -4.685 447 HB3 PRO 93 HB1 PRO 93 15.632 -2.694 -4.310 448 HG2 PRO 93 HG2 PRO 93 13.368 -4.027 -4.709 449 HG3 PRO 93 HG1 PRO 93 14.472 -4.524 -3.422 450 HD2 PRO 93 HD2 PRO 93 11.935 -3.018 -3.253 451 HD3 PRO 93 HD1 PRO 93 12.567 -4.290 -2.193 452 H HIS 94 HN HIS 94 12.682 -0.427 -3.479 453 HA HIS 94 HA HIS 94 14.130 1.955 -4.013 454 HB2 HIS 94 HB2 HIS 94 11.218 1.342 -4.120 455 HB3 HIS 94 HB1 HIS 94 11.740 3.021 -4.114 456 HD2 HIS 94 HD2 HIS 94 14.364 2.515 -6.019 457 HE1 HIS 94 HE1 HIS 94 11.386 1.440 -8.832 458 HE2 HIS 94 HE2 HIS 94 13.629 2.559 -8.515 459 H PHE 95 HN PHE 95 12.271 0.933 -1.277 460 HA PHE 95 HA PHE 95 12.097 3.431 -0.000 461 HB2 PHE 95 HB2 PHE 95 10.947 1.193 0.660 462 HB3 PHE 95 HB1 PHE 95 12.488 0.793 1.385 463 HD1 PHE 95 HD2 PHE 95 10.038 3.571 1.382 464 HD2 PHE 95 HD1 PHE 95 12.783 1.239 3.621 465 HE1 PHE 95 HE2 PHE 95 9.400 4.796 3.373 466 HE2 PHE 95 HE1 PHE 95 12.161 2.461 5.665 467 HZ PHE 95 HZ PHE 95 10.460 4.250 5.556 468 H GLN 96 HN GLN 96 14.466 0.864 0.064 469 HA GLN 96 HA GLN 96 16.220 2.037 1.926 470 HB2 GLN 96 HB2 GLN 96 16.659 -0.041 -0.186 471 HB3 GLN 96 HB1 GLN 96 17.870 0.415 1.004 472 HG2 GLN 96 HG2 GLN 96 16.522 -0.291 2.766 473 HG3 GLN 96 HG1 GLN 96 15.131 -0.603 1.715 474 HE21 GLN 96 HE21 GLN 96 18.468 -1.418 1.042 475 HE22 GLN 96 HE22 GLN 96 18.268 -3.124 1.084 476 H GLN 97 HN GLN 97 16.177 2.155 -1.639 477 HA GLN 97 HA GLN 97 18.637 3.516 -1.789 478 HB2 GLN 97 HB2 GLN 97 16.363 3.227 -3.726 479 HB3 GLN 97 HB1 GLN 97 17.951 3.871 -4.105 480 HG2 GLN 97 HG2 GLN 97 18.971 1.740 -3.598 481 HG3 GLN 97 HG1 GLN 97 17.404 1.092 -3.108 482 HE21 GLN 97 HE21 GLN 97 19.400 2.032 -5.742 483 HE22 GLN 97 HE22 GLN 97 18.439 1.339 -7.004 484 H LEU 98 HN LEU 98 15.248 4.553 -2.143 485 HA LEU 98 HA LEU 98 16.001 7.266 -2.641 486 HB2 LEU 98 HB2 LEU 98 13.405 5.859 -2.406 487 HB3 LEU 98 HB1 LEU 98 13.531 7.568 -2.783 488 HG LEU 98 HG LEU 98 14.994 5.543 -4.462 489 HD11 LEU 98 HD11 LEU 98 13.074 5.488 -5.941 490 HD12 LEU 98 HD12 LEU 98 12.150 6.427 -4.757 491 HD13 LEU 98 HD13 LEU 98 12.715 4.800 -4.357 492 HD21 LEU 98 HD21 LEU 98 13.786 8.229 -5.020 493 HD22 LEU 98 HD22 LEU 98 14.678 7.250 -6.177 494 HD23 LEU 98 HD23 LEU 98 15.505 7.916 -4.756 495 H PHE 99 HN PHE 99 14.296 5.611 0.048 496 HA PHE 99 HA PHE 99 14.326 8.178 1.491 497 HB2 PHE 99 HB2 PHE 99 12.687 5.727 1.626 498 HB3 PHE 99 HB1 PHE 99 12.645 6.793 3.033 499 HD1 PHE 99 HD1 PHE 99 12.860 9.110 0.568 500 HD2 PHE 99 HD2 PHE 99 10.276 5.890 1.662 501 HE1 PHE 99 HE1 PHE 99 11.013 10.135 -0.699 502 HE2 PHE 99 HE2 PHE 99 8.464 6.929 0.381 503 HZ PHE 99 HZ PHE 99 8.857 9.065 -0.795 504 H LYS 100 HN LYS 100 16.073 5.403 1.242 505 HA LYS 100 HA LYS 100 17.729 4.486 2.345 506 HB2 LYS 100 HB2 LYS 100 18.189 6.976 2.940 507 HB3 LYS 100 HB1 LYS 100 17.451 6.615 4.488 508 HG2 LYS 100 HG2 LYS 100 19.168 4.994 4.962 509 HG3 LYS 100 HG1 LYS 100 19.866 5.228 3.369 510 HD2 LYS 100 HD2 LYS 100 20.484 7.467 3.865 511 HD3 LYS 100 HD1 LYS 100 19.565 7.447 5.371 512 HE2 LYS 100 HE2 LYS 100 21.933 5.689 4.782 513 HE3 LYS 100 HE1 LYS 100 22.010 7.196 5.694 514 HZ1 LYS 100 HZ1 LYS 100 20.492 4.746 6.464 515 HZ2 LYS 100 HZ2 LYS 100 20.392 6.218 7.248 516 HZ3 LYS 100 HZ3 LYS 100 21.843 5.395 7.237 517 H SER 101 HN SER 101 17.892 4.163 5.373 518 HA SER 101 HA SER 101 17.090 2.754 6.919 519 HB2 SER 101 HB2 SER 101 14.397 3.552 5.746 520 HB3 SER 101 HB1 SER 101 14.646 2.823 7.335 521 HG SER 101 HG SER 101 16.217 4.987 6.906 522 H LYS 102 HN LYS 102 14.780 0.904 6.643 523 HA LYS 102 HA LYS 102 15.456 -0.568 4.247 524 HB2 LYS 102 HB2 LYS 102 15.985 -2.627 5.328 525 HB3 LYS 102 HB1 LYS 102 16.986 -1.408 6.080 526 HG2 LYS 102 HG2 LYS 102 14.436 -2.476 7.285 527 HG3 LYS 102 HG1 LYS 102 16.034 -3.120 7.628 528 HD2 LYS 102 HD2 LYS 102 16.706 -0.991 8.597 529 HD3 LYS 102 HD1 LYS 102 15.145 -0.283 8.160 530 HE2 LYS 102 HE2 LYS 102 14.008 -1.886 9.570 531 HE3 LYS 102 HE1 LYS 102 15.545 -2.635 10.001 532 HZ1 LYS 102 HZ1 LYS 102 14.686 0.132 10.671 533 HZ2 LYS 102 HZ2 LYS 102 16.166 -0.559 11.109 534 HZ3 LYS 102 HZ3 LYS 102 14.723 -1.190 11.712 535 H GLY 103 HN GLY 103 13.933 -2.214 3.733 536 HA2 GLY 103 HA2 GLY 103 11.285 -1.339 4.297 537 HA3 GLY 103 HA1 GLY 103 11.733 -2.714 3.283 538 H ASN 104 HN ASN 104 11.148 -1.573 6.453 539 HA ASN 104 HA ASN 104 11.586 -3.965 7.859 540 HB2 ASN 104 HB2 ASN 104 10.599 -2.754 9.789 541 HB3 ASN 104 HB1 ASN 104 11.839 -1.824 8.965 542 HD21 ASN 104 HD21 ASN 104 8.579 -1.925 9.970 543 HD22 ASN 104 HD22 ASN 104 8.094 -0.385 9.357 544 H TYR 105 HN TYR 105 10.423 -5.617 7.018 545 HA TYR 105 HA TYR 105 7.534 -5.402 7.246 546 HB2 TYR 105 HB2 TYR 105 8.248 -6.620 5.267 547 HB3 TYR 105 HB1 TYR 105 9.278 -7.678 6.230 548 HD1 TYR 105 HD1 TYR 105 5.693 -6.686 5.843 549 HD2 TYR 105 HD2 TYR 105 8.458 -9.727 6.944 550 HE1 TYR 105 HE1 TYR 105 3.834 -8.264 6.165 551 HE2 TYR 105 HE2 TYR 105 6.614 -11.304 7.261 552 HH TYR 105 HH TYR 105 4.259 -11.208 7.767 553 H ASP 106 HN ASP 106 10.028 -7.633 8.342 554 HA ASP 106 HA ASP 106 8.531 -7.915 10.845 555 HB2 ASP 106 HB2 ASP 106 8.540 -10.035 9.613 556 HB3 ASP 106 HB1 ASP 106 10.287 -9.945 9.428 557 H GLU 107 HN GLU 107 9.600 -6.096 11.640 558 HA GLU 107 HA GLU 107 12.434 -6.546 12.194 559 HB2 GLU 107 HB2 GLU 107 11.603 -4.720 10.425 560 HB3 GLU 107 HB1 GLU 107 11.322 -3.790 11.884 561 HG2 GLU 107 HG2 GLU 107 13.964 -5.052 11.284 562 HG3 GLU 107 HG1 GLU 107 13.521 -3.480 10.646 Start of MODEL 8 1 H1 ARG 36 HT1 ARG 36 -18.348 -4.590 8.294 2 H2 ARG 36 HT2 ARG 36 -17.223 -3.625 9.082 3 H3 ARG 36 HT3 ARG 36 -16.721 -4.853 8.025 4 HA ARG 36 HA ARG 36 -18.252 -2.471 7.238 5 HB2 ARG 36 HB2 ARG 36 -15.377 -3.272 6.707 6 HB3 ARG 36 HB1 ARG 36 -16.199 -1.964 5.888 7 HG2 ARG 36 HG2 ARG 36 -15.752 -2.078 8.862 8 HG3 ARG 36 HG1 ARG 36 -14.710 -1.227 7.725 9 HD2 ARG 36 HD2 ARG 36 -17.644 -0.683 8.175 10 HD3 ARG 36 HD1 ARG 36 -16.312 0.292 8.791 11 HE ARG 36 HE ARG 36 -15.854 0.276 6.146 12 HH11 ARG 36 HH11 ARG 36 -18.791 0.996 7.982 13 HH12 ARG 36 HH12 ARG 36 -19.369 2.126 6.852 14 HH21 ARG 36 HH21 ARG 36 -16.613 1.782 4.688 15 HH22 ARG 36 HH22 ARG 36 -18.070 2.678 4.978 16 H ALA 37 HN ALA 37 -19.771 -4.091 6.448 17 HA ALA 37 HA ALA 37 -18.820 -5.601 4.139 18 HB1 ALA 37 HB1 ALA 37 -20.139 -6.826 5.766 19 HB2 ALA 37 HB2 ALA 37 -21.008 -6.699 4.231 20 HB3 ALA 37 HB3 ALA 37 -21.455 -5.665 5.589 21 H GLN 38 HN GLN 38 -20.441 -2.743 4.973 22 HA GLN 38 HA GLN 38 -21.807 -2.526 2.449 23 HB2 GLN 38 HB2 GLN 38 -22.705 -1.498 4.536 24 HB3 GLN 38 HB1 GLN 38 -21.327 -0.404 4.559 25 HG2 GLN 38 HG2 GLN 38 -22.058 0.666 2.567 26 HG3 GLN 38 HG1 GLN 38 -23.289 -0.562 2.290 27 HE21 GLN 38 HE21 GLN 38 -25.116 -0.575 3.552 28 HE22 GLN 38 HE22 GLN 38 -25.621 0.781 4.480 29 H VAL 39 HN VAL 39 -20.822 -2.031 0.682 30 HA VAL 39 HA VAL 39 -18.038 -1.478 0.788 31 HB VAL 39 HB VAL 39 -19.823 -1.813 -1.632 32 HG11 VAL 39 HG11 VAL 39 -17.769 -2.309 -2.846 33 HG12 VAL 39 HG12 VAL 39 -16.817 -1.982 -1.398 34 HG13 VAL 39 HG13 VAL 39 -17.721 -0.680 -2.172 35 HG21 VAL 39 HG21 VAL 39 -19.884 -3.787 -0.236 36 HG22 VAL 39 HG22 VAL 39 -18.129 -3.798 -0.131 37 HG23 VAL 39 HG23 VAL 39 -18.914 -4.120 -1.675 38 H LYS 40 HN LYS 40 -18.230 0.554 1.775 39 HA LYS 40 HA LYS 40 -18.253 2.625 -0.298 40 HB2 LYS 40 HB2 LYS 40 -18.863 2.998 2.642 41 HB3 LYS 40 HB1 LYS 40 -18.646 4.319 1.509 42 HG2 LYS 40 HG2 LYS 40 -20.618 3.372 0.232 43 HG3 LYS 40 HG1 LYS 40 -20.885 2.316 1.622 44 HD2 LYS 40 HD2 LYS 40 -20.813 5.339 1.695 45 HD3 LYS 40 HD1 LYS 40 -22.266 4.344 1.738 46 HE2 LYS 40 HE2 LYS 40 -21.636 3.419 3.856 47 HE3 LYS 40 HE1 LYS 40 -20.063 4.213 3.799 48 HZ1 LYS 40 HZ1 LYS 40 -21.181 6.338 3.901 49 HZ2 LYS 40 HZ2 LYS 40 -21.612 5.412 5.232 50 HZ3 LYS 40 HZ3 LYS 40 -22.686 5.603 3.946 51 H GLU 41 HN GLU 41 -16.360 0.760 0.535 52 HA GLU 41 HA GLU 41 -14.338 2.195 2.069 53 HB2 GLU 41 HB2 GLU 41 -14.130 -0.450 0.633 54 HB3 GLU 41 HB1 GLU 41 -12.993 0.206 1.793 55 HG2 GLU 41 HG2 GLU 41 -15.803 -0.702 2.373 56 HG3 GLU 41 HG1 GLU 41 -14.260 -1.531 2.671 57 H THR 42 HN THR 42 -12.812 3.288 1.075 58 HA THR 42 HA THR 42 -12.603 2.782 -1.772 59 HB THR 42 HB THR 42 -11.674 5.454 -1.011 60 HG1 THR 42 HG1 THR 42 -14.139 4.514 -0.179 61 HG21 THR 42 HG21 THR 42 -11.944 4.710 -3.312 62 HG22 THR 42 HG22 THR 42 -13.060 6.041 -2.984 63 HG23 THR 42 HG23 THR 42 -13.651 4.377 -3.018 64 H CYS 43 HN CYS 43 -10.476 2.860 -2.541 65 HA CYS 43 HA CYS 43 -8.538 2.031 -0.608 66 HB2 CYS 43 HB2 CYS 43 -8.570 0.628 -2.312 67 HB3 CYS 43 HB1 CYS 43 -9.085 1.786 -3.482 68 H ALA 44 HN ALA 44 -6.460 2.910 -0.448 69 HA ALA 44 HA ALA 44 -6.297 5.754 -1.127 70 HB1 ALA 44 HB1 ALA 44 -4.658 5.944 0.544 71 HB2 ALA 44 HB2 ALA 44 -4.608 4.193 0.793 72 HB3 ALA 44 HB3 ALA 44 -6.073 5.120 1.202 73 H ALA 45 HN ALA 45 -4.979 2.730 -2.089 74 HA ALA 45 HA ALA 45 -2.430 3.892 -2.861 75 HB1 ALA 45 HB1 ALA 45 -2.520 1.712 -1.750 76 HB2 ALA 45 HB2 ALA 45 -1.745 1.645 -3.338 77 HB3 ALA 45 HB3 ALA 45 -3.398 1.054 -3.139 78 H CYS 46 HN CYS 46 -5.401 2.835 -4.242 79 HA CYS 46 HA CYS 46 -4.506 3.882 -6.778 80 HB2 CYS 46 HB2 CYS 46 -4.615 1.726 -7.924 81 HB3 CYS 46 HB1 CYS 46 -4.482 1.398 -6.370 82 H GLN 47 HN GLN 47 -6.465 4.298 -4.376 83 HA GLN 47 HA GLN 47 -8.470 5.027 -3.917 84 HB2 GLN 47 HB2 GLN 47 -7.670 6.918 -6.107 85 HB3 GLN 47 HB1 GLN 47 -9.042 7.165 -5.011 86 HG2 GLN 47 HG2 GLN 47 -7.636 7.110 -3.097 87 HG3 GLN 47 HG1 GLN 47 -6.242 6.672 -4.071 88 HE21 GLN 47 HE21 GLN 47 -5.080 8.433 -3.338 89 HE22 GLN 47 HE22 GLN 47 -5.416 10.060 -3.805 90 H LYS 48 HN LYS 48 -8.856 2.852 -5.415 91 HA LYS 48 HA LYS 48 -11.327 3.302 -6.937 92 HB2 LYS 48 HB2 LYS 48 -9.473 0.928 -6.635 93 HB3 LYS 48 HB1 LYS 48 -10.985 0.866 -7.525 94 HG2 LYS 48 HG2 LYS 48 -8.607 2.607 -8.175 95 HG3 LYS 48 HG1 LYS 48 -9.007 1.078 -8.961 96 HD2 LYS 48 HD2 LYS 48 -10.761 3.480 -8.855 97 HD3 LYS 48 HD1 LYS 48 -9.718 3.096 -10.231 98 HE2 LYS 48 HE2 LYS 48 -10.906 0.936 -10.497 99 HE3 LYS 48 HE1 LYS 48 -11.975 1.366 -9.169 100 HZ1 LYS 48 HZ1 LYS 48 -12.980 1.742 -11.289 101 HZ2 LYS 48 HZ2 LYS 48 -11.748 2.821 -11.736 102 HZ3 LYS 48 HZ3 LYS 48 -12.794 3.202 -10.468 103 H THR 49 HN THR 49 -13.212 2.196 -6.213 104 HA THR 49 HA THR 49 -13.466 1.883 -3.470 105 HB THR 49 HB THR 49 -15.187 0.489 -5.424 106 HG1 THR 49 HG1 THR 49 -16.140 2.485 -5.908 107 HG21 THR 49 HG21 THR 49 -15.476 1.929 -2.840 108 HG22 THR 49 HG22 THR 49 -15.842 0.212 -3.195 109 HG23 THR 49 HG23 THR 49 -16.902 1.494 -3.797 110 H VAL 50 HN VAL 50 -13.209 0.174 -2.154 111 HA VAL 50 HA VAL 50 -11.925 -2.146 -3.368 112 HB VAL 50 HB VAL 50 -12.033 -2.111 -0.401 113 HG11 VAL 50 HG11 VAL 50 -9.981 -2.645 -2.480 114 HG12 VAL 50 HG12 VAL 50 -10.873 -3.812 -1.501 115 HG13 VAL 50 HG13 VAL 50 -9.697 -2.719 -0.756 116 HG21 VAL 50 HG21 VAL 50 -11.694 0.284 -0.834 117 HG22 VAL 50 HG22 VAL 50 -10.431 -0.093 -1.989 118 HG23 VAL 50 HG23 VAL 50 -10.190 -0.451 -0.264 119 H TYR 51 HN TYR 51 -12.770 -4.162 -3.198 120 HA TYR 51 HA TYR 51 -15.509 -4.254 -2.177 121 HB2 TYR 51 HB2 TYR 51 -14.192 -6.163 -4.115 122 HB3 TYR 51 HB1 TYR 51 -15.920 -5.955 -3.829 123 HD1 TYR 51 HD1 TYR 51 -16.518 -3.314 -4.152 124 HD2 TYR 51 HD2 TYR 51 -13.488 -5.457 -6.136 125 HE1 TYR 51 HE1 TYR 51 -16.615 -1.677 -6.023 126 HE2 TYR 51 HE2 TYR 51 -13.537 -3.868 -8.003 127 HH TYR 51 HH TYR 51 -15.058 -2.322 -8.984 128 HA PRO 52 HA PRO 52 -14.644 -6.711 1.262 129 HB2 PRO 52 HB2 PRO 52 -15.987 -9.017 0.055 130 HB3 PRO 52 HB1 PRO 52 -16.204 -8.330 1.668 131 HG2 PRO 52 HG2 PRO 52 -18.007 -7.826 -0.212 132 HG3 PRO 52 HG1 PRO 52 -17.470 -6.535 0.877 133 HD2 PRO 52 HD2 PRO 52 -16.801 -7.004 -1.986 134 HD3 PRO 52 HD1 PRO 52 -16.968 -5.478 -1.102 135 H MET 53 HN MET 53 -14.065 -8.779 -1.643 136 HA MET 53 HA MET 53 -12.359 -10.511 -0.144 137 HB2 MET 53 HB2 MET 53 -13.539 -11.286 -2.105 138 HB3 MET 53 HB1 MET 53 -12.586 -10.208 -3.132 139 HG2 MET 53 HG2 MET 53 -10.558 -11.394 -2.398 140 HG3 MET 53 HG1 MET 53 -11.566 -12.500 -1.483 141 HE1 MET 53 HE1 MET 53 -10.365 -14.520 -2.735 142 HE2 MET 53 HE2 MET 53 -9.419 -13.372 -3.681 143 HE3 MET 53 HE3 MET 53 -10.288 -14.673 -4.490 144 H GLU 54 HN GLU 54 -11.762 -7.689 -2.172 145 HA GLU 54 HA GLU 54 -8.934 -8.096 -1.842 146 HB2 GLU 54 HB2 GLU 54 -10.565 -6.251 -3.493 147 HB3 GLU 54 HB1 GLU 54 -8.827 -6.091 -3.409 148 HG2 GLU 54 HG2 GLU 54 -8.739 -8.526 -4.045 149 HG3 GLU 54 HG1 GLU 54 -10.454 -8.418 -4.353 150 H ARG 55 HN ARG 55 -11.422 -6.409 -0.370 151 HA ARG 55 HA ARG 55 -10.012 -4.146 0.499 152 HB2 ARG 55 HB2 ARG 55 -12.339 -4.002 0.707 153 HB3 ARG 55 HB1 ARG 55 -12.447 -5.520 1.572 154 HG2 ARG 55 HG2 ARG 55 -11.049 -4.221 3.337 155 HG3 ARG 55 HG1 ARG 55 -11.601 -2.807 2.442 156 HD2 ARG 55 HD2 ARG 55 -13.933 -3.610 2.737 157 HD3 ARG 55 HD1 ARG 55 -13.302 -4.892 3.773 158 HE ARG 55 HE ARG 55 -13.487 -2.065 4.387 159 HH11 ARG 55 HH11 ARG 55 -12.223 -5.197 5.468 160 HH12 ARG 55 HH12 ARG 55 -11.873 -4.641 7.032 161 HH21 ARG 55 HH21 ARG 55 -13.027 -1.347 6.343 162 HH22 ARG 55 HH22 ARG 55 -12.352 -2.306 7.598 163 H LEU 56 HN LEU 56 -8.165 -4.481 1.195 164 HA LEU 56 HA LEU 56 -7.732 -6.097 3.570 165 HB2 LEU 56 HB2 LEU 56 -6.423 -6.829 1.684 166 HB3 LEU 56 HB1 LEU 56 -5.953 -5.199 1.298 167 HG LEU 56 HG LEU 56 -5.005 -6.422 3.883 168 HD11 LEU 56 HD11 LEU 56 -4.538 -8.008 1.997 169 HD12 LEU 56 HD12 LEU 56 -3.106 -7.275 2.727 170 HD13 LEU 56 HD13 LEU 56 -3.707 -6.665 1.183 171 HD21 LEU 56 HD21 LEU 56 -3.785 -4.482 1.921 172 HD22 LEU 56 HD22 LEU 56 -3.123 -4.960 3.490 173 HD23 LEU 56 HD23 LEU 56 -4.623 -4.037 3.407 174 H VAL 57 HN VAL 57 -6.469 -5.062 5.227 175 HA VAL 57 HA VAL 57 -6.335 -2.195 4.866 176 HB VAL 57 HB VAL 57 -8.142 -2.622 6.411 177 HG11 VAL 57 HG11 VAL 57 -7.837 -3.687 8.584 178 HG12 VAL 57 HG12 VAL 57 -6.205 -4.169 8.105 179 HG13 VAL 57 HG13 VAL 57 -7.611 -4.790 7.229 180 HG21 VAL 57 HG21 VAL 57 -5.707 -1.544 7.815 181 HG22 VAL 57 HG22 VAL 57 -7.370 -1.316 8.373 182 HG23 VAL 57 HG23 VAL 57 -6.859 -0.651 6.824 183 H ALA 58 HN ALA 58 -4.355 -1.627 4.589 184 HA ALA 58 HA ALA 58 -2.311 -2.865 6.324 185 HB1 ALA 58 HB1 ALA 58 -1.777 -1.475 3.656 186 HB2 ALA 58 HB2 ALA 58 -1.899 -3.211 3.787 187 HB3 ALA 58 HB3 ALA 58 -0.600 -2.362 4.601 188 H ASP 59 HN ASP 59 -1.197 -1.482 7.580 189 HA ASP 59 HA ASP 59 -0.863 0.359 8.849 190 HB2 ASP 59 HB2 ASP 59 -0.788 2.247 6.629 191 HB3 ASP 59 HB1 ASP 59 0.347 1.899 7.872 192 H LYS 60 HN LYS 60 -3.485 -0.212 8.623 193 HA LYS 60 HA LYS 60 -5.533 0.410 9.015 194 HB2 LYS 60 HB2 LYS 60 -4.365 1.796 10.745 195 HB3 LYS 60 HB1 LYS 60 -4.492 3.133 9.607 196 HG2 LYS 60 HG2 LYS 60 -6.874 3.057 9.692 197 HG3 LYS 60 HG1 LYS 60 -6.829 1.607 10.702 198 HD2 LYS 60 HD2 LYS 60 -5.743 2.846 12.459 199 HD3 LYS 60 HD1 LYS 60 -5.654 4.261 11.401 200 HE2 LYS 60 HE2 LYS 60 -8.125 4.358 11.371 201 HE3 LYS 60 HE1 LYS 60 -8.191 2.933 12.399 202 HZ1 LYS 60 HZ1 LYS 60 -8.522 4.906 13.687 203 HZ2 LYS 60 HZ2 LYS 60 -7.068 5.580 13.167 204 HZ3 LYS 60 HZ3 LYS 60 -7.063 4.213 14.140 205 H LEU 61 HN LEU 61 -4.042 1.423 6.355 206 HA LEU 61 HA LEU 61 -6.229 3.040 5.333 207 HB2 LEU 61 HB2 LEU 61 -3.847 1.877 3.985 208 HB3 LEU 61 HB1 LEU 61 -4.948 3.041 3.275 209 HG LEU 61 HG LEU 61 -3.138 3.570 5.632 210 HD11 LEU 61 HD11 LEU 61 -1.843 4.914 4.091 211 HD12 LEU 61 HD12 LEU 61 -2.942 4.484 2.780 212 HD13 LEU 61 HD13 LEU 61 -1.940 3.238 3.530 213 HD21 LEU 61 HD21 LEU 61 -5.174 4.922 5.693 214 HD22 LEU 61 HD22 LEU 61 -4.899 5.423 4.025 215 HD23 LEU 61 HD23 LEU 61 -3.775 5.915 5.290 216 H ILE 62 HN ILE 62 -7.777 2.283 3.945 217 HA ILE 62 HA ILE 62 -7.941 -0.621 3.866 218 HB ILE 62 HB ILE 62 -10.118 1.359 3.098 219 HG12 ILE 62 HG12 ILE 62 -9.398 1.694 5.469 220 HG13 ILE 62 HG11 ILE 62 -11.070 1.174 5.304 221 HG21 ILE 62 HG21 ILE 62 -10.365 -0.933 2.314 222 HG22 ILE 62 HG22 ILE 62 -11.558 -0.552 3.590 223 HG23 ILE 62 HG23 ILE 62 -10.097 -1.473 3.982 224 HD11 ILE 62 HD11 ILE 62 -9.967 0.060 7.170 225 HD12 ILE 62 HD12 ILE 62 -8.729 -0.555 6.071 226 HD13 ILE 62 HD13 ILE 62 -10.395 -1.101 5.914 227 H PHE 63 HN PHE 63 -7.274 -1.534 2.029 228 HA PHE 63 HA PHE 63 -8.173 -0.591 -0.427 229 HB2 PHE 63 HB2 PHE 63 -5.956 -0.182 -1.558 230 HB3 PHE 63 HB1 PHE 63 -6.544 0.970 -0.369 231 HD1 PHE 63 HD2 PHE 63 -4.708 -2.146 0.586 232 HD2 PHE 63 HD1 PHE 63 -4.730 2.071 0.076 233 HE1 PHE 63 HE2 PHE 63 -2.599 -1.970 1.808 234 HE2 PHE 63 HE1 PHE 63 -2.659 2.234 1.258 235 HZ PHE 63 HZ PHE 63 -1.545 0.295 2.136 236 H HIS 64 HN HIS 64 -7.343 -1.675 -2.316 237 HA HIS 64 HA HIS 64 -7.782 -4.407 -2.184 238 HB2 HIS 64 HB2 HIS 64 -6.250 -2.899 -4.324 239 HB3 HIS 64 HB1 HIS 64 -7.113 -4.420 -4.518 240 HD2 HIS 64 HD2 HIS 64 -9.752 -4.150 -5.064 241 HE1 HIS 64 HE1 HIS 64 -9.831 0.082 -4.918 242 HE2 HIS 64 HE2 HIS 64 -11.207 -1.972 -5.337 243 H ASN 65 HN ASN 65 -6.479 -5.971 -1.685 244 HA ASN 65 HA ASN 65 -3.869 -5.759 -0.791 245 HB2 ASN 65 HB2 ASN 65 -3.754 -8.275 -1.102 246 HB3 ASN 65 HB1 ASN 65 -5.087 -7.692 -0.132 247 HD21 ASN 65 HD21 ASN 65 -6.226 -9.586 -0.450 248 HD22 ASN 65 HD22 ASN 65 -6.967 -9.998 -1.956 249 H SER 66 HN SER 66 -5.062 -6.225 -3.969 250 HA SER 66 HA SER 66 -2.688 -7.039 -5.237 251 HB2 SER 66 HB2 SER 66 -4.111 -6.538 -7.195 252 HB3 SER 66 HB1 SER 66 -4.693 -7.772 -6.076 253 HG SER 66 HG SER 66 -6.480 -6.573 -6.076 254 H CYS 67 HN CYS 67 -3.561 -3.817 -4.194 255 HA CYS 67 HA CYS 67 -2.541 -2.815 -6.754 256 HB2 CYS 67 HB2 CYS 67 -3.650 -0.676 -6.191 257 HB3 CYS 67 HB1 CYS 67 -4.727 -2.062 -6.507 258 H PHE 68 HN PHE 68 -1.682 -2.546 -3.363 259 HA PHE 68 HA PHE 68 -0.458 -0.057 -3.934 260 HB2 PHE 68 HB2 PHE 68 0.607 -0.286 -1.647 261 HB3 PHE 68 HB1 PHE 68 -1.145 0.005 -1.681 262 HD1 PHE 68 HD2 PHE 68 -2.321 -2.560 -1.625 263 HD2 PHE 68 HD1 PHE 68 1.433 -1.367 -0.070 264 HE1 PHE 68 HE2 PHE 68 -2.446 -4.377 0.079 265 HE2 PHE 68 HE1 PHE 68 1.320 -3.167 1.617 266 HZ PHE 68 HZ PHE 68 -0.592 -4.658 1.677 267 H CYS 69 HN CYS 69 0.924 -0.005 -5.245 268 HA CYS 69 HA CYS 69 3.235 -1.779 -5.180 269 HB2 CYS 69 HB2 CYS 69 2.233 0.051 -7.378 270 HB3 CYS 69 HB1 CYS 69 3.539 -1.117 -7.492 271 HG CYS 69 HG CYS 69 0.259 -1.820 -7.020 272 H CYS 70 HN CYS 70 5.220 -0.620 -5.915 273 HA CYS 70 HA CYS 70 5.735 1.540 -4.190 274 HB2 CYS 70 HB2 CYS 70 7.446 0.053 -4.531 275 HB3 CYS 70 HB1 CYS 70 7.337 0.135 -6.297 276 H LYS 71 HN LYS 71 5.828 3.444 -4.520 277 HA LYS 71 HA LYS 71 4.548 4.990 -6.511 278 HB2 LYS 71 HB2 LYS 71 5.064 5.616 -4.148 279 HB3 LYS 71 HB1 LYS 71 6.734 5.809 -4.678 280 HG2 LYS 71 HG2 LYS 71 5.717 7.957 -4.690 281 HG3 LYS 71 HG1 LYS 71 5.953 7.427 -6.355 282 HD2 LYS 71 HD2 LYS 71 3.464 6.477 -5.913 283 HD3 LYS 71 HD1 LYS 71 3.482 7.871 -4.837 284 HE2 LYS 71 HE2 LYS 71 4.205 7.764 -7.658 285 HE3 LYS 71 HE1 LYS 71 2.703 8.493 -7.051 286 HZ1 LYS 71 HZ1 LYS 71 5.501 9.517 -6.738 287 HZ2 LYS 71 HZ2 LYS 71 4.286 9.983 -5.702 288 HZ3 LYS 71 HZ3 LYS 71 4.160 10.355 -7.348 289 H HIS 72 HN HIS 72 7.904 3.998 -6.221 290 HA HIS 72 HA HIS 72 8.504 5.700 -8.500 291 HB2 HIS 72 HB2 HIS 72 9.964 5.634 -6.446 292 HB3 HIS 72 HB1 HIS 72 10.488 4.032 -6.960 293 HD2 HIS 72 HD2 HIS 72 12.039 4.036 -9.384 294 HE1 HIS 72 HE1 HIS 72 12.925 8.154 -9.018 295 HE2 HIS 72 HE2 HIS 72 13.666 5.960 -10.008 296 H CYS 73 HN CYS 73 8.260 2.237 -7.692 297 HA CYS 73 HA CYS 73 8.498 1.785 -10.529 298 HB2 CYS 73 HB2 CYS 73 9.846 -0.203 -10.211 299 HB3 CYS 73 HB1 CYS 73 10.511 1.136 -9.376 300 H HIS 74 HN HIS 74 6.803 0.463 -11.238 301 HA HIS 74 HA HIS 74 4.747 0.020 -9.259 302 HB2 HIS 74 HB2 HIS 74 3.270 -0.646 -11.166 303 HB3 HIS 74 HB1 HIS 74 3.916 0.985 -11.257 304 HD1 HIS 74 HD1 HIS 74 5.307 1.559 -13.298 305 HD2 HIS 74 HD2 HIS 74 4.354 -2.466 -13.087 306 HE1 HIS 74 HE1 HIS 74 5.894 0.606 -15.539 307 HE2 HIS 74 HE2 HIS 74 5.067 -1.747 -15.462 308 H THR 75 HN THR 75 6.211 -1.483 -8.253 309 HA THR 75 HA THR 75 5.839 -4.173 -9.319 310 HB THR 75 HB THR 75 8.175 -3.311 -8.764 311 HG1 THR 75 HG1 THR 75 8.026 -5.411 -9.008 312 HG21 THR 75 HG21 THR 75 7.714 -2.211 -6.627 313 HG22 THR 75 HG22 THR 75 8.912 -3.488 -6.403 314 HG23 THR 75 HG23 THR 75 7.236 -3.756 -5.924 315 H LYS 76 HN LYS 76 4.580 -5.635 -8.283 316 HA LYS 76 HA LYS 76 2.771 -4.744 -6.267 317 HB2 LYS 76 HB2 LYS 76 2.389 -6.495 -8.140 318 HB3 LYS 76 HB1 LYS 76 3.161 -7.636 -7.048 319 HG2 LYS 76 HG2 LYS 76 0.664 -6.053 -6.386 320 HG3 LYS 76 HG1 LYS 76 0.627 -7.660 -7.076 321 HD2 LYS 76 HD2 LYS 76 1.984 -7.063 -4.443 322 HD3 LYS 76 HD1 LYS 76 0.265 -7.402 -4.545 323 HE2 LYS 76 HE2 LYS 76 1.410 -9.424 -3.918 324 HE3 LYS 76 HE1 LYS 76 0.822 -9.617 -5.558 325 HZ1 LYS 76 HZ1 LYS 76 3.083 -10.462 -5.177 326 HZ2 LYS 76 HZ2 LYS 76 3.625 -8.899 -4.854 327 HZ3 LYS 76 HZ3 LYS 76 3.047 -9.303 -6.381 328 H LEU 77 HN LEU 77 4.279 -4.143 -4.733 329 HA LEU 77 HA LEU 77 5.786 -6.103 -3.234 330 HB2 LEU 77 HB2 LEU 77 6.708 -4.135 -2.053 331 HB3 LEU 77 HB1 LEU 77 6.678 -3.990 -3.804 332 HG LEU 77 HG LEU 77 4.796 -2.501 -3.802 333 HD11 LEU 77 HD11 LEU 77 3.699 -3.064 -1.648 334 HD12 LEU 77 HD12 LEU 77 4.069 -1.339 -1.794 335 HD13 LEU 77 HD13 LEU 77 5.112 -2.393 -0.839 336 HD21 LEU 77 HD21 LEU 77 7.069 -1.756 -3.817 337 HD22 LEU 77 HD22 LEU 77 7.012 -1.620 -2.053 338 HD23 LEU 77 HD23 LEU 77 5.977 -0.601 -3.052 339 H SER 78 HN SER 78 2.710 -5.097 -3.249 340 HA SER 78 HA SER 78 1.810 -4.527 -0.782 341 HB2 SER 78 HB2 SER 78 0.487 -6.459 -2.505 342 HB3 SER 78 HB1 SER 78 -0.211 -5.080 -1.655 343 HG SER 78 HG SER 78 1.057 -3.728 -3.151 344 H LEU 79 HN LEU 79 1.475 -5.581 1.027 345 HA LEU 79 HA LEU 79 1.706 -7.064 2.672 346 HB2 LEU 79 HB2 LEU 79 -0.484 -7.568 1.028 347 HB3 LEU 79 HB1 LEU 79 0.125 -9.144 1.528 348 HG LEU 79 HG LEU 79 -1.598 -8.359 3.067 349 HD11 LEU 79 HD11 LEU 79 -0.408 -8.601 5.157 350 HD12 LEU 79 HD12 LEU 79 1.122 -8.290 4.340 351 HD13 LEU 79 HD13 LEU 79 0.198 -9.755 3.963 352 HD21 LEU 79 HD21 LEU 79 -1.123 -6.401 4.523 353 HD22 LEU 79 HD22 LEU 79 -1.400 -6.000 2.838 354 HD23 LEU 79 HD23 LEU 79 0.244 -5.999 3.474 355 H GLY 80 HN GLY 80 3.789 -7.621 2.761 356 HA2 GLY 80 HA2 GLY 80 4.565 -10.179 2.873 357 HA3 GLY 80 HA1 GLY 80 4.887 -9.754 1.190 358 H SER 81 HN SER 81 5.904 -7.547 0.989 359 HA SER 81 HA SER 81 7.616 -6.800 3.166 360 HB2 SER 81 HB2 SER 81 9.660 -6.943 1.642 361 HB3 SER 81 HB1 SER 81 8.977 -8.478 2.189 362 HG SER 81 HG SER 81 7.729 -8.147 0.018 363 H TYR 82 HN TYR 82 6.982 -4.641 3.254 364 HA TYR 82 HA TYR 82 7.360 -3.159 0.827 365 HB2 TYR 82 HB2 TYR 82 5.165 -2.059 0.989 366 HB3 TYR 82 HB1 TYR 82 5.004 -3.776 0.810 367 HD1 TYR 82 HD1 TYR 82 5.146 -1.245 3.496 368 HD2 TYR 82 HD2 TYR 82 3.330 -4.843 2.139 369 HE1 TYR 82 HE1 TYR 82 3.552 -1.155 5.380 370 HE2 TYR 82 HE2 TYR 82 1.785 -4.787 4.009 371 HH TYR 82 HH TYR 82 1.490 -1.952 5.989 372 H ALA 83 HN ALA 83 7.263 -0.808 1.269 373 HA ALA 83 HA ALA 83 7.843 -0.145 4.054 374 HB1 ALA 83 HB1 ALA 83 9.240 0.924 1.594 375 HB2 ALA 83 HB2 ALA 83 9.946 -0.153 2.799 376 HB3 ALA 83 HB3 ALA 83 9.499 1.491 3.246 377 H ALA 84 HN ALA 84 6.282 1.288 4.655 378 HA ALA 84 HA ALA 84 5.077 2.735 2.448 379 HB1 ALA 84 HB1 ALA 84 3.055 2.845 3.727 380 HB2 ALA 84 HB2 ALA 84 3.813 1.967 5.066 381 HB3 ALA 84 HB3 ALA 84 3.566 1.176 3.501 382 H LEU 85 HN LEU 85 4.937 4.918 2.571 383 HA LEU 85 HA LEU 85 5.701 6.157 5.077 384 HB2 LEU 85 HB2 LEU 85 7.473 6.446 3.319 385 HB3 LEU 85 HB1 LEU 85 6.318 7.213 2.274 386 HG LEU 85 HG LEU 85 5.999 8.872 4.173 387 HD11 LEU 85 HD11 LEU 85 8.608 7.715 4.995 388 HD12 LEU 85 HD12 LEU 85 7.074 7.571 5.896 389 HD13 LEU 85 HD13 LEU 85 7.833 9.160 5.668 390 HD21 LEU 85 HD21 LEU 85 8.682 8.822 2.819 391 HD22 LEU 85 HD22 LEU 85 7.878 10.220 3.564 392 HD23 LEU 85 HD23 LEU 85 7.174 9.448 2.138 393 H HIS 86 HN HIS 86 4.477 8.083 5.417 394 HA HIS 86 HA HIS 86 1.827 8.003 4.835 395 HB2 HIS 86 HB2 HIS 86 1.888 10.583 5.154 396 HB3 HIS 86 HB1 HIS 86 2.359 9.563 6.521 397 HD1 HIS 86 HD1 HIS 86 4.066 11.046 7.654 398 HD2 HIS 86 HD2 HIS 86 4.683 10.761 3.594 399 HE1 HIS 86 HE1 HIS 86 6.274 12.210 7.178 400 HE2 HIS 86 HE2 HIS 86 6.396 12.298 4.725 401 H GLY 87 HN GLY 87 0.720 8.034 3.049 402 HA2 GLY 87 HA2 GLY 87 -0.186 9.095 1.176 403 HA3 GLY 87 HA1 GLY 87 1.286 10.030 1.016 404 H GLU 88 HN GLU 88 3.055 7.551 1.099 405 HA GLU 88 HA GLU 88 2.308 6.499 -1.516 406 HB2 GLU 88 HB2 GLU 88 5.073 7.664 -1.042 407 HB3 GLU 88 HB1 GLU 88 4.425 6.975 -2.515 408 HG2 GLU 88 HG2 GLU 88 2.799 8.689 -2.747 409 HG3 GLU 88 HG1 GLU 88 3.262 9.393 -1.211 410 H PHE 89 HN PHE 89 3.112 4.445 -1.976 411 HA PHE 89 HA PHE 89 4.319 3.099 0.296 412 HB2 PHE 89 HB2 PHE 89 2.754 2.015 -2.088 413 HB3 PHE 89 HB1 PHE 89 3.310 1.060 -0.722 414 HD1 PHE 89 HD2 PHE 89 1.034 3.734 -1.816 415 HD2 PHE 89 HD1 PHE 89 2.024 1.122 1.435 416 HE1 PHE 89 HE2 PHE 89 -0.961 4.453 -0.615 417 HE2 PHE 89 HE1 PHE 89 0.034 1.842 2.605 418 HZ PHE 89 HZ PHE 89 -1.458 3.558 1.572 419 H TYR 90 HN TYR 90 6.308 2.226 -0.023 420 HA TYR 90 HA TYR 90 7.518 2.772 -2.653 421 HB2 TYR 90 HB2 TYR 90 7.703 4.051 -0.288 422 HB3 TYR 90 HB1 TYR 90 9.263 3.210 -0.270 423 HD1 TYR 90 HD1 TYR 90 6.839 5.571 -1.790 424 HD2 TYR 90 HD2 TYR 90 10.939 4.349 -1.807 425 HE1 TYR 90 HE1 TYR 90 7.425 7.562 -3.027 426 HE2 TYR 90 HE2 TYR 90 11.515 6.373 -3.046 427 HH TYR 90 HH TYR 90 9.297 8.961 -3.469 428 H CYS 91 HN CYS 91 9.050 1.132 -3.219 429 HA CYS 91 HA CYS 91 8.877 -1.274 -1.660 430 HB2 CYS 91 HB2 CYS 91 10.405 -2.293 -3.253 431 HB3 CYS 91 HB1 CYS 91 9.210 -1.405 -4.154 432 H LYS 92 HN LYS 92 10.699 -2.275 -0.538 433 HA LYS 92 HA LYS 92 11.940 -0.473 1.133 434 HB2 LYS 92 HB2 LYS 92 12.861 -3.292 0.497 435 HB3 LYS 92 HB1 LYS 92 13.377 -2.339 1.880 436 HG2 LYS 92 HG2 LYS 92 11.102 -2.340 2.757 437 HG3 LYS 92 HG1 LYS 92 10.543 -3.238 1.347 438 HD2 LYS 92 HD2 LYS 92 12.078 -5.072 1.950 439 HD3 LYS 92 HD1 LYS 92 12.549 -4.175 3.392 440 HE2 LYS 92 HE2 LYS 92 9.758 -5.146 2.763 441 HE3 LYS 92 HE1 LYS 92 10.879 -5.929 3.870 442 HZ1 LYS 92 HZ1 LYS 92 9.422 -4.664 5.153 443 HZ2 LYS 92 HZ2 LYS 92 9.525 -3.312 4.174 444 HZ3 LYS 92 HZ3 LYS 92 10.856 -3.770 5.130 445 HA PRO 93 HA PRO 93 16.007 -0.841 -1.729 446 HB2 PRO 93 HB2 PRO 93 14.530 -0.970 -4.313 447 HB3 PRO 93 HB1 PRO 93 16.092 -1.672 -3.882 448 HG2 PRO 93 HG2 PRO 93 13.951 -3.227 -4.063 449 HG3 PRO 93 HG1 PRO 93 15.110 -3.462 -2.748 450 HD2 PRO 93 HD2 PRO 93 12.450 -2.185 -2.714 451 HD3 PRO 93 HD1 PRO 93 13.208 -3.238 -1.505 452 H HIS 94 HN HIS 94 13.033 0.581 -3.120 453 HA HIS 94 HA HIS 94 14.483 2.942 -3.858 454 HB2 HIS 94 HB2 HIS 94 11.566 2.261 -4.110 455 HB3 HIS 94 HB1 HIS 94 12.126 3.913 -4.338 456 HD2 HIS 94 HD2 HIS 94 14.871 3.040 -5.950 457 HE1 HIS 94 HE1 HIS 94 12.059 1.567 -8.759 458 HE2 HIS 94 HE2 HIS 94 14.347 2.657 -8.443 459 H PHE 95 HN PHE 95 12.501 2.079 -1.177 460 HA PHE 95 HA PHE 95 12.160 4.692 -0.097 461 HB2 PHE 95 HB2 PHE 95 10.984 2.494 0.554 462 HB3 PHE 95 HB1 PHE 95 12.453 2.122 1.433 463 HD1 PHE 95 HD2 PHE 95 10.122 5.006 1.126 464 HD2 PHE 95 HD1 PHE 95 12.381 2.485 3.662 465 HE1 PHE 95 HE2 PHE 95 9.253 6.196 3.067 466 HE2 PHE 95 HE1 PHE 95 11.500 3.637 5.622 467 HZ PHE 95 HZ PHE 95 9.925 5.516 5.341 468 H GLN 96 HN GLN 96 14.602 2.191 0.257 469 HA GLN 96 HA GLN 96 16.253 3.545 2.088 470 HB2 GLN 96 HB2 GLN 96 16.854 1.349 0.127 471 HB3 GLN 96 HB1 GLN 96 18.019 1.932 1.302 472 HG2 GLN 96 HG2 GLN 96 16.544 1.265 3.112 473 HG3 GLN 96 HG1 GLN 96 15.341 0.716 1.948 474 HE21 GLN 96 HE21 GLN 96 18.415 0.096 3.380 475 HE22 GLN 96 HE22 GLN 96 18.577 -1.536 2.845 476 H GLN 97 HN GLN 97 16.423 3.430 -1.473 477 HA GLN 97 HA GLN 97 18.747 5.030 -1.517 478 HB2 GLN 97 HB2 GLN 97 16.780 4.161 -3.585 479 HB3 GLN 97 HB1 GLN 97 18.219 5.101 -3.950 480 HG2 GLN 97 HG2 GLN 97 19.638 3.333 -3.148 481 HG3 GLN 97 HG1 GLN 97 18.241 2.424 -2.575 482 HE21 GLN 97 HE21 GLN 97 16.944 1.442 -4.034 483 HE22 GLN 97 HE22 GLN 97 17.432 1.091 -5.659 484 H LEU 98 HN LEU 98 15.323 5.722 -2.272 485 HA LEU 98 HA LEU 98 15.898 8.423 -2.981 486 HB2 LEU 98 HB2 LEU 98 13.392 6.866 -2.658 487 HB3 LEU 98 HB1 LEU 98 13.410 8.551 -3.149 488 HG LEU 98 HG LEU 98 14.926 6.452 -4.696 489 HD11 LEU 98 HD11 LEU 98 13.000 6.354 -6.178 490 HD12 LEU 98 HD12 LEU 98 12.097 7.370 -5.039 491 HD13 LEU 98 HD13 LEU 98 12.639 5.758 -4.560 492 HD21 LEU 98 HD21 LEU 98 14.591 8.076 -6.512 493 HD22 LEU 98 HD22 LEU 98 15.500 8.762 -5.154 494 HD23 LEU 98 HD23 LEU 98 13.782 9.140 -5.363 495 H PHE 99 HN PHE 99 14.253 6.876 -0.179 496 HA PHE 99 HA PHE 99 14.124 9.549 0.984 497 HB2 PHE 99 HB2 PHE 99 12.626 7.033 1.453 498 HB3 PHE 99 HB1 PHE 99 12.595 8.235 2.745 499 HD1 PHE 99 HD1 PHE 99 12.642 10.340 0.104 500 HD2 PHE 99 HD2 PHE 99 10.131 7.141 1.510 501 HE1 PHE 99 HE1 PHE 99 10.748 11.233 -1.159 502 HE2 PHE 99 HE2 PHE 99 8.294 8.066 0.224 503 HZ PHE 99 HZ PHE 99 8.615 10.128 -1.119 504 H LYS 100 HN LYS 100 16.069 6.868 1.047 505 HA LYS 100 HA LYS 100 17.835 6.277 2.161 506 HB2 LYS 100 HB2 LYS 100 17.712 9.044 3.362 507 HB3 LYS 100 HB1 LYS 100 19.067 7.922 3.475 508 HG2 LYS 100 HG2 LYS 100 19.256 7.947 1.006 509 HG3 LYS 100 HG1 LYS 100 17.981 9.157 0.954 510 HD2 LYS 100 HD2 LYS 100 20.578 9.555 2.445 511 HD3 LYS 100 HD1 LYS 100 20.372 10.005 0.762 512 HE2 LYS 100 HE2 LYS 100 20.094 11.979 2.093 513 HE3 LYS 100 HE1 LYS 100 18.522 11.514 1.466 514 HZ1 LYS 100 HZ1 LYS 100 18.529 12.255 3.788 515 HZ2 LYS 100 HZ2 LYS 100 19.441 10.920 4.241 516 HZ3 LYS 100 HZ3 LYS 100 17.880 10.730 3.614 517 H SER 101 HN SER 101 15.381 5.526 3.186 518 HA SER 101 HA SER 101 16.068 5.211 6.024 519 HB2 SER 101 HB2 SER 101 13.294 5.454 4.835 520 HB3 SER 101 HB1 SER 101 13.703 5.337 6.547 521 HG SER 101 HG SER 101 15.061 7.322 5.371 522 H LYS 102 HN LYS 102 15.874 3.133 6.757 523 HA LYS 102 HA LYS 102 15.867 0.907 5.045 524 HB2 LYS 102 HB2 LYS 102 16.846 0.841 7.264 525 HB3 LYS 102 HB1 LYS 102 15.299 1.201 8.003 526 HG2 LYS 102 HG2 LYS 102 15.756 -1.102 8.363 527 HG3 LYS 102 HG1 LYS 102 14.476 -1.006 7.159 528 HD2 LYS 102 HD2 LYS 102 16.106 -1.423 5.384 529 HD3 LYS 102 HD1 LYS 102 17.406 -1.474 6.578 530 HE2 LYS 102 HE2 LYS 102 16.255 -3.366 7.689 531 HE3 LYS 102 HE1 LYS 102 15.049 -3.349 6.407 532 HZ1 LYS 102 HZ1 LYS 102 16.707 -5.020 5.998 533 HZ2 LYS 102 HZ2 LYS 102 17.944 -3.894 6.101 534 HZ3 LYS 102 HZ3 LYS 102 16.878 -3.829 4.817 535 H GLY 103 HN GLY 103 14.143 0.080 3.948 536 HA2 GLY 103 HA2 GLY 103 11.493 0.917 4.259 537 HA3 GLY 103 HA1 GLY 103 12.029 -0.526 3.408 538 H ASN 104 HN ASN 104 10.743 0.786 6.310 539 HA ASN 104 HA ASN 104 10.401 -1.935 7.325 540 HB2 ASN 104 HB2 ASN 104 10.668 -1.158 9.584 541 HB3 ASN 104 HB1 ASN 104 12.063 -0.639 8.652 542 HD21 ASN 104 HD21 ASN 104 12.313 1.595 8.195 543 HD22 ASN 104 HD22 ASN 104 11.509 2.802 9.079 544 H TYR 105 HN TYR 105 8.503 -2.485 8.024 545 HA TYR 105 HA TYR 105 6.623 -0.918 9.239 546 HB2 TYR 105 HB2 TYR 105 6.357 -0.542 6.489 547 HB3 TYR 105 HB1 TYR 105 5.225 -1.859 6.813 548 HD1 TYR 105 HD2 TYR 105 3.696 -1.507 8.907 549 HD2 TYR 105 HD1 TYR 105 5.610 1.651 6.823 550 HE1 TYR 105 HE2 TYR 105 2.115 0.089 9.895 551 HE2 TYR 105 HE1 TYR 105 4.042 3.263 7.821 552 HH TYR 105 HH TYR 105 2.136 2.440 10.444 553 H ASP 106 HN ASP 106 8.000 -2.987 9.837 554 HA ASP 106 HA ASP 106 6.848 -5.551 9.189 555 HB2 ASP 106 HB2 ASP 106 8.630 -6.384 10.634 556 HB3 ASP 106 HB1 ASP 106 9.273 -5.211 9.491 557 H GLU 107 HN GLU 107 6.452 -3.096 11.412 558 HA GLU 107 HA GLU 107 4.677 -4.636 13.117 559 HB2 GLU 107 HB2 GLU 107 6.924 -4.619 14.187 560 HB3 GLU 107 HB1 GLU 107 6.954 -2.874 14.060 561 HG2 GLU 107 HG2 GLU 107 4.993 -2.778 15.566 562 HG3 GLU 107 HG1 GLU 107 5.107 -4.531 15.757 Start of MODEL 9 1 H1 ARG 36 HT1 ARG 36 -24.896 -4.059 -2.198 2 H2 ARG 36 HT2 ARG 36 -26.535 -4.006 -2.556 3 H3 ARG 36 HT3 ARG 36 -25.787 -2.738 -1.716 4 HA ARG 36 HA ARG 36 -25.024 -3.541 -4.419 5 HB2 ARG 36 HB2 ARG 36 -26.915 -1.319 -3.607 6 HB3 ARG 36 HB1 ARG 36 -26.109 -1.379 -5.161 7 HG2 ARG 36 HG2 ARG 36 -27.188 -3.519 -5.639 8 HG3 ARG 36 HG1 ARG 36 -28.021 -3.437 -4.088 9 HD2 ARG 36 HD2 ARG 36 -29.187 -1.440 -4.764 10 HD3 ARG 36 HD1 ARG 36 -28.263 -1.370 -6.266 11 HE ARG 36 HE ARG 36 -29.481 -3.827 -6.224 12 HH11 ARG 36 HH11 ARG 36 -30.574 -0.456 -6.214 13 HH12 ARG 36 HH12 ARG 36 -31.999 -0.763 -7.085 14 HH21 ARG 36 HH21 ARG 36 -31.443 -4.236 -7.451 15 HH22 ARG 36 HH22 ARG 36 -32.505 -2.962 -7.806 16 H ALA 37 HN ALA 37 -25.146 -0.492 -2.475 17 HA ALA 37 HA ALA 37 -22.269 -0.361 -2.718 18 HB1 ALA 37 HB1 ALA 37 -22.263 1.813 -3.802 19 HB2 ALA 37 HB2 ALA 37 -24.023 1.794 -3.895 20 HB3 ALA 37 HB3 ALA 37 -23.078 0.627 -4.820 21 H GLN 38 HN GLN 38 -24.015 -0.652 -0.477 22 HA GLN 38 HA GLN 38 -24.002 1.984 0.783 23 HB2 GLN 38 HB2 GLN 38 -25.709 -0.163 1.048 24 HB3 GLN 38 HB1 GLN 38 -24.665 -0.371 2.446 25 HG2 GLN 38 HG2 GLN 38 -26.277 2.102 1.813 26 HG3 GLN 38 HG1 GLN 38 -26.700 0.876 2.997 27 HE21 GLN 38 HE21 GLN 38 -25.542 0.789 4.931 28 HE22 GLN 38 HE22 GLN 38 -24.603 2.117 5.488 29 H VAL 39 HN VAL 39 -21.931 -0.464 0.244 30 HA VAL 39 HA VAL 39 -20.420 -0.298 2.675 31 HB VAL 39 HB VAL 39 -18.684 -1.648 1.360 32 HG11 VAL 39 HG11 VAL 39 -20.039 -3.709 1.397 33 HG12 VAL 39 HG12 VAL 39 -21.499 -2.729 1.520 34 HG13 VAL 39 HG13 VAL 39 -20.319 -2.716 2.824 35 HG21 VAL 39 HG21 VAL 39 -20.901 -1.722 -0.710 36 HG22 VAL 39 HG22 VAL 39 -19.419 -2.677 -0.758 37 HG23 VAL 39 HG23 VAL 39 -19.343 -0.920 -0.903 38 H LYS 40 HN LYS 40 -20.123 1.859 2.851 39 HA LYS 40 HA LYS 40 -18.807 3.343 0.750 40 HB2 LYS 40 HB2 LYS 40 -19.709 4.244 3.488 41 HB3 LYS 40 HB1 LYS 40 -19.101 5.293 2.216 42 HG2 LYS 40 HG2 LYS 40 -21.618 3.635 2.079 43 HG3 LYS 40 HG1 LYS 40 -21.534 5.370 2.364 44 HD2 LYS 40 HD2 LYS 40 -20.477 5.648 0.151 45 HD3 LYS 40 HD1 LYS 40 -20.650 3.914 -0.132 46 HE2 LYS 40 HE2 LYS 40 -23.095 4.153 0.130 47 HE3 LYS 40 HE1 LYS 40 -22.882 5.891 0.319 48 HZ1 LYS 40 HZ1 LYS 40 -22.190 4.310 -2.110 49 HZ2 LYS 40 HZ2 LYS 40 -21.940 5.971 -1.910 50 HZ3 LYS 40 HZ3 LYS 40 -23.485 5.372 -1.926 51 H GLU 41 HN GLU 41 -17.046 1.619 1.207 52 HA GLU 41 HA GLU 41 -15.086 2.654 3.136 53 HB2 GLU 41 HB2 GLU 41 -15.075 0.163 1.446 54 HB3 GLU 41 HB1 GLU 41 -13.829 0.628 2.591 55 HG2 GLU 41 HG2 GLU 41 -16.680 0.003 3.299 56 HG3 GLU 41 HG1 GLU 41 -15.270 -1.070 3.373 57 H THR 42 HN THR 42 -13.399 3.743 2.332 58 HA THR 42 HA THR 42 -13.256 3.664 -0.565 59 HB THR 42 HB THR 42 -11.955 6.045 0.431 60 HG1 THR 42 HG1 THR 42 -13.751 5.733 2.050 61 HG21 THR 42 HG21 THR 42 -14.293 5.503 -1.392 62 HG22 THR 42 HG22 THR 42 -12.605 5.677 -1.872 63 HG23 THR 42 HG23 THR 42 -13.490 7.070 -1.233 64 H CYS 43 HN CYS 43 -11.288 3.434 -1.528 65 HA CYS 43 HA CYS 43 -9.283 2.200 0.079 66 HB2 CYS 43 HB2 CYS 43 -9.650 0.964 -1.722 67 HB3 CYS 43 HB1 CYS 43 -10.083 2.324 -2.708 68 H ALA 44 HN ALA 44 -7.168 2.930 0.286 69 HA ALA 44 HA ALA 44 -6.747 5.748 -0.378 70 HB1 ALA 44 HB1 ALA 44 -5.103 3.957 1.356 71 HB2 ALA 44 HB2 ALA 44 -6.413 5.041 1.892 72 HB3 ALA 44 HB3 ALA 44 -4.951 5.707 1.139 73 H ALA 45 HN ALA 45 -5.813 2.680 -1.512 74 HA ALA 45 HA ALA 45 -3.217 3.588 -2.421 75 HB1 ALA 45 HB1 ALA 45 -3.472 1.368 -1.447 76 HB2 ALA 45 HB2 ALA 45 -2.827 1.307 -3.091 77 HB3 ALA 45 HB3 ALA 45 -4.522 0.895 -2.789 78 H CYS 46 HN CYS 46 -6.365 2.995 -3.705 79 HA CYS 46 HA CYS 46 -5.439 4.179 -6.186 80 HB2 CYS 46 HB2 CYS 46 -5.951 2.207 -7.519 81 HB3 CYS 46 HB1 CYS 46 -5.792 1.713 -6.018 82 H GLN 47 HN GLN 47 -7.442 4.405 -3.643 83 HA GLN 47 HA GLN 47 -9.200 5.455 -3.066 84 HB2 GLN 47 HB2 GLN 47 -8.236 7.447 -5.095 85 HB3 GLN 47 HB1 GLN 47 -9.383 7.715 -3.757 86 HG2 GLN 47 HG2 GLN 47 -7.823 7.209 -2.116 87 HG3 GLN 47 HG1 GLN 47 -6.689 6.545 -3.277 88 HE21 GLN 47 HE21 GLN 47 -5.052 7.823 -2.580 89 HE22 GLN 47 HE22 GLN 47 -4.973 9.516 -2.874 90 H LYS 48 HN LYS 48 -10.034 3.549 -4.485 91 HA LYS 48 HA LYS 48 -12.490 4.506 -5.775 92 HB2 LYS 48 HB2 LYS 48 -11.014 1.868 -5.986 93 HB3 LYS 48 HB1 LYS 48 -12.566 2.197 -6.737 94 HG2 LYS 48 HG2 LYS 48 -9.958 3.577 -7.331 95 HG3 LYS 48 HG1 LYS 48 -10.716 2.329 -8.317 96 HD2 LYS 48 HD2 LYS 48 -11.863 5.021 -7.655 97 HD3 LYS 48 HD1 LYS 48 -11.119 4.603 -9.202 98 HE2 LYS 48 HE2 LYS 48 -13.639 3.380 -8.033 99 HE3 LYS 48 HE1 LYS 48 -13.560 4.507 -9.376 100 HZ1 LYS 48 HZ1 LYS 48 -12.424 1.755 -9.364 101 HZ2 LYS 48 HZ2 LYS 48 -12.306 2.855 -10.631 102 HZ3 LYS 48 HZ3 LYS 48 -13.806 2.260 -10.183 103 H THR 49 HN THR 49 -14.416 3.430 -5.014 104 HA THR 49 HA THR 49 -14.324 2.915 -2.243 105 HB THR 49 HB THR 49 -16.568 2.244 -4.069 106 HG1 THR 49 HG1 THR 49 -15.516 4.741 -3.210 107 HG21 THR 49 HG21 THR 49 -17.888 3.058 -2.080 108 HG22 THR 49 HG22 THR 49 -16.307 3.209 -1.258 109 HG23 THR 49 HG23 THR 49 -16.888 1.625 -1.779 110 H VAL 50 HN VAL 50 -14.229 1.033 -1.206 111 HA VAL 50 HA VAL 50 -13.429 -1.298 -2.782 112 HB VAL 50 HB VAL 50 -13.242 -1.484 0.175 113 HG11 VAL 50 HG11 VAL 50 -11.472 -2.142 -2.102 114 HG12 VAL 50 HG12 VAL 50 -12.441 -3.237 -1.109 115 HG13 VAL 50 HG13 VAL 50 -11.064 -2.370 -0.414 116 HG21 VAL 50 HG21 VAL 50 -12.601 0.852 -0.093 117 HG22 VAL 50 HG22 VAL 50 -11.565 0.427 -1.440 118 HG23 VAL 50 HG23 VAL 50 -11.148 -0.119 0.196 119 H TYR 51 HN TYR 51 -14.573 -3.170 -2.715 120 HA TYR 51 HA TYR 51 -17.043 -3.162 -1.160 121 HB2 TYR 51 HB2 TYR 51 -16.164 -4.923 -3.465 122 HB3 TYR 51 HB1 TYR 51 -17.747 -4.990 -2.689 123 HD1 TYR 51 HD1 TYR 51 -17.815 -1.834 -2.508 124 HD2 TYR 51 HD2 TYR 51 -17.157 -4.604 -5.647 125 HE1 TYR 51 HE1 TYR 51 -18.651 -0.179 -4.120 126 HE2 TYR 51 HE2 TYR 51 -17.980 -2.957 -7.277 127 HH TYR 51 HH TYR 51 -18.288 0.248 -6.555 128 HA PRO 52 HA PRO 52 -15.733 -5.824 2.005 129 HB2 PRO 52 HB2 PRO 52 -17.554 -7.916 1.040 130 HB3 PRO 52 HB1 PRO 52 -17.351 -7.288 2.679 131 HG2 PRO 52 HG2 PRO 52 -19.433 -6.498 1.249 132 HG3 PRO 52 HG1 PRO 52 -18.521 -5.321 2.214 133 HD2 PRO 52 HD2 PRO 52 -18.535 -5.753 -0.731 134 HD3 PRO 52 HD1 PRO 52 -18.349 -4.249 0.194 135 H MET 53 HN MET 53 -16.011 -7.631 -1.011 136 HA MET 53 HA MET 53 -14.287 -9.780 -0.275 137 HB2 MET 53 HB2 MET 53 -15.847 -9.984 -2.087 138 HB3 MET 53 HB1 MET 53 -15.017 -8.714 -2.987 139 HG2 MET 53 HG2 MET 53 -12.994 -10.166 -2.968 140 HG3 MET 53 HG1 MET 53 -13.975 -11.430 -2.253 141 HE1 MET 53 HE1 MET 53 -14.735 -9.729 -6.487 142 HE2 MET 53 HE2 MET 53 -13.457 -9.157 -5.414 143 HE3 MET 53 HE3 MET 53 -15.150 -8.841 -5.026 144 H GLU 54 HN GLU 54 -13.697 -6.630 -1.760 145 HA GLU 54 HA GLU 54 -10.917 -7.355 -2.265 146 HB2 GLU 54 HB2 GLU 54 -12.451 -4.843 -2.944 147 HB3 GLU 54 HB1 GLU 54 -10.835 -5.241 -3.492 148 HG2 GLU 54 HG2 GLU 54 -11.759 -7.165 -4.727 149 HG3 GLU 54 HG1 GLU 54 -13.372 -6.692 -4.207 150 H ARG 55 HN ARG 55 -12.931 -5.766 -0.086 151 HA ARG 55 HA ARG 55 -11.170 -3.824 0.891 152 HB2 ARG 55 HB2 ARG 55 -13.317 -3.306 1.251 153 HB3 ARG 55 HB1 ARG 55 -13.816 -4.861 1.773 154 HG2 ARG 55 HG2 ARG 55 -12.300 -4.233 3.855 155 HG3 ARG 55 HG1 ARG 55 -12.533 -2.600 3.236 156 HD2 ARG 55 HD2 ARG 55 -14.979 -2.961 3.168 157 HD3 ARG 55 HD1 ARG 55 -14.754 -4.532 3.882 158 HE ARG 55 HE ARG 55 -14.192 -1.982 5.261 159 HH11 ARG 55 HH11 ARG 55 -15.027 -5.442 5.404 160 HH12 ARG 55 HH12 ARG 55 -15.565 -5.396 7.003 161 HH21 ARG 55 HH21 ARG 55 -14.977 -1.940 7.487 162 HH22 ARG 55 HH22 ARG 55 -15.556 -3.351 8.223 163 H LEU 56 HN LEU 56 -9.462 -4.231 1.558 164 HA LEU 56 HA LEU 56 -8.937 -6.137 3.693 165 HB2 LEU 56 HB2 LEU 56 -7.913 -6.839 1.614 166 HB3 LEU 56 HB1 LEU 56 -7.335 -5.230 1.298 167 HG LEU 56 HG LEU 56 -6.236 -6.765 3.652 168 HD11 LEU 56 HD11 LEU 56 -6.131 -8.201 1.639 169 HD12 LEU 56 HD12 LEU 56 -4.545 -7.605 2.177 170 HD13 LEU 56 HD13 LEU 56 -5.340 -6.854 0.797 171 HD21 LEU 56 HD21 LEU 56 -4.270 -5.427 3.168 172 HD22 LEU 56 HD22 LEU 56 -5.673 -4.373 3.341 173 HD23 LEU 56 HD23 LEU 56 -5.051 -4.759 1.735 174 H VAL 57 HN VAL 57 -7.309 -5.290 5.172 175 HA VAL 57 HA VAL 57 -6.972 -2.438 4.969 176 HB VAL 57 HB VAL 57 -8.737 -2.576 6.535 177 HG11 VAL 57 HG11 VAL 57 -8.700 -3.980 8.544 178 HG12 VAL 57 HG12 VAL 57 -7.223 -4.749 7.938 179 HG13 VAL 57 HG13 VAL 57 -8.735 -4.894 7.037 180 HG21 VAL 57 HG21 VAL 57 -7.011 -1.051 7.225 181 HG22 VAL 57 HG22 VAL 57 -6.160 -2.342 8.061 182 HG23 VAL 57 HG23 VAL 57 -7.737 -1.796 8.651 183 H ALA 58 HN ALA 58 -4.961 -2.059 4.696 184 HA ALA 58 HA ALA 58 -2.983 -3.659 6.207 185 HB1 ALA 58 HB1 ALA 58 -2.685 -3.780 3.670 186 HB2 ALA 58 HB2 ALA 58 -1.308 -3.052 4.460 187 HB3 ALA 58 HB3 ALA 58 -2.472 -2.033 3.660 188 H ASP 59 HN ASP 59 -1.640 -2.510 7.534 189 HA ASP 59 HA ASP 59 -1.426 -0.898 9.156 190 HB2 ASP 59 HB2 ASP 59 -0.833 1.298 7.299 191 HB3 ASP 59 HB1 ASP 59 -0.112 0.655 8.718 192 H LYS 60 HN LYS 60 -3.950 -1.135 8.778 193 HA LYS 60 HA LYS 60 -5.921 -0.321 9.297 194 HB2 LYS 60 HB2 LYS 60 -4.611 0.670 11.155 195 HB3 LYS 60 HB1 LYS 60 -4.461 2.120 10.176 196 HG2 LYS 60 HG2 LYS 60 -6.774 2.609 10.389 197 HG3 LYS 60 HG1 LYS 60 -7.102 1.010 11.071 198 HD2 LYS 60 HD2 LYS 60 -5.839 1.515 13.030 199 HD3 LYS 60 HD1 LYS 60 -5.282 3.031 12.341 200 HE2 LYS 60 HE2 LYS 60 -8.146 2.344 13.042 201 HE3 LYS 60 HE1 LYS 60 -7.067 3.313 14.039 202 HZ1 LYS 60 HZ1 LYS 60 -8.092 4.047 11.336 203 HZ2 LYS 60 HZ2 LYS 60 -6.949 4.929 12.204 204 HZ3 LYS 60 HZ3 LYS 60 -8.496 4.729 12.822 205 H LEU 61 HN LEU 61 -4.276 0.856 6.749 206 HA LEU 61 HA LEU 61 -6.330 2.702 5.847 207 HB2 LEU 61 HB2 LEU 61 -4.183 1.317 4.322 208 HB3 LEU 61 HB1 LEU 61 -5.157 2.647 3.734 209 HG LEU 61 HG LEU 61 -3.091 2.789 5.933 210 HD11 LEU 61 HD11 LEU 61 -3.122 3.887 3.137 211 HD12 LEU 61 HD12 LEU 61 -2.175 2.510 3.693 212 HD13 LEU 61 HD13 LEU 61 -1.849 4.129 4.334 213 HD21 LEU 61 HD21 LEU 61 -4.784 4.959 4.690 214 HD22 LEU 61 HD22 LEU 61 -3.467 5.211 5.834 215 HD23 LEU 61 HD23 LEU 61 -4.922 4.352 6.341 216 H ILE 62 HN ILE 62 -8.087 2.154 4.551 217 HA ILE 62 HA ILE 62 -8.490 -0.711 4.270 218 HB ILE 62 HB ILE 62 -10.553 1.447 3.742 219 HG12 ILE 62 HG12 ILE 62 -9.719 1.747 6.017 220 HG13 ILE 62 HG11 ILE 62 -11.387 1.191 6.019 221 HG21 ILE 62 HG21 ILE 62 -11.002 -0.802 2.928 222 HG22 ILE 62 HG22 ILE 62 -12.107 -0.341 4.253 223 HG23 ILE 62 HG23 ILE 62 -10.732 -1.408 4.572 224 HD11 ILE 62 HD11 ILE 62 -10.123 0.103 7.768 225 HD12 ILE 62 HD12 ILE 62 -8.927 -0.431 6.591 226 HD13 ILE 62 HD13 ILE 62 -10.566 -1.076 6.529 227 H PHE 63 HN PHE 63 -8.210 -1.561 2.322 228 HA PHE 63 HA PHE 63 -9.095 -0.304 0.025 229 HB2 PHE 63 HB2 PHE 63 -6.907 -0.121 -1.244 230 HB3 PHE 63 HB1 PHE 63 -7.274 0.995 0.063 231 HD1 PHE 63 HD2 PHE 63 -5.776 -2.394 0.653 232 HD2 PHE 63 HD1 PHE 63 -5.370 1.835 0.527 233 HE1 PHE 63 HE2 PHE 63 -3.623 -2.544 1.792 234 HE2 PHE 63 HE1 PHE 63 -3.259 1.669 1.634 235 HZ PHE 63 HZ PHE 63 -2.334 -0.444 2.279 236 H HIS 64 HN HIS 64 -8.450 -1.357 -1.997 237 HA HIS 64 HA HIS 64 -9.198 -4.070 -1.948 238 HB2 HIS 64 HB2 HIS 64 -7.776 -2.542 -4.144 239 HB3 HIS 64 HB1 HIS 64 -8.785 -3.972 -4.336 240 HD2 HIS 64 HD2 HIS 64 -11.439 -3.453 -4.549 241 HE1 HIS 64 HE1 HIS 64 -11.097 0.760 -4.383 242 HE2 HIS 64 HE2 HIS 64 -12.569 -1.186 -5.112 243 H ASN 65 HN ASN 65 -7.915 -5.840 -1.907 244 HA ASN 65 HA ASN 65 -5.318 -5.767 -0.992 245 HB2 ASN 65 HB2 ASN 65 -5.379 -8.103 -1.090 246 HB3 ASN 65 HB1 ASN 65 -7.041 -7.636 -0.837 247 HD21 ASN 65 HD21 ASN 65 -4.827 -9.222 -2.918 248 HD22 ASN 65 HD22 ASN 65 -5.958 -9.760 -4.098 249 H SER 66 HN SER 66 -6.574 -5.874 -4.249 250 HA SER 66 HA SER 66 -4.180 -6.711 -5.487 251 HB2 SER 66 HB2 SER 66 -5.456 -6.208 -7.508 252 HB3 SER 66 HB1 SER 66 -6.214 -7.361 -6.409 253 HG SER 66 HG SER 66 -7.100 -4.992 -7.286 254 H CYS 67 HN CYS 67 -4.963 -3.560 -4.312 255 HA CYS 67 HA CYS 67 -3.837 -2.460 -6.770 256 HB2 CYS 67 HB2 CYS 67 -4.798 -0.265 -5.991 257 HB3 CYS 67 HB1 CYS 67 -5.911 -1.524 -6.545 258 H PHE 68 HN PHE 68 -2.800 -2.766 -3.509 259 HA PHE 68 HA PHE 68 -1.271 -0.390 -3.926 260 HB2 PHE 68 HB2 PHE 68 -0.214 -0.924 -1.707 261 HB3 PHE 68 HB1 PHE 68 -1.901 -0.356 -1.639 262 HD1 PHE 68 HD2 PHE 68 -3.400 -2.802 -1.710 263 HD2 PHE 68 HD1 PHE 68 0.495 -2.128 -0.181 264 HE1 PHE 68 HE2 PHE 68 -3.689 -4.705 -0.113 265 HE2 PHE 68 HE1 PHE 68 0.226 -3.997 1.388 266 HZ PHE 68 HZ PHE 68 -1.828 -5.283 1.423 267 H CYS 69 HN CYS 69 0.091 -0.556 -5.335 268 HA CYS 69 HA CYS 69 2.164 -2.610 -5.217 269 HB2 CYS 69 HB2 CYS 69 1.521 -0.756 -7.547 270 HB3 CYS 69 HB1 CYS 69 2.571 -2.138 -7.507 271 HG CYS 69 HG CYS 69 -0.529 -2.924 -6.618 272 H CYS 70 HN CYS 70 4.326 -1.658 -5.928 273 HA CYS 70 HA CYS 70 4.950 0.565 -4.287 274 HB2 CYS 70 HB2 CYS 70 6.586 -1.073 -4.586 275 HB3 CYS 70 HB1 CYS 70 6.536 -0.958 -6.350 276 H LYS 71 HN LYS 71 5.330 2.491 -4.767 277 HA LYS 71 HA LYS 71 3.967 3.708 -7.018 278 HB2 LYS 71 HB2 LYS 71 4.080 4.591 -4.608 279 HB3 LYS 71 HB1 LYS 71 5.706 5.094 -5.055 280 HG2 LYS 71 HG2 LYS 71 4.257 6.969 -5.371 281 HG3 LYS 71 HG1 LYS 71 4.767 6.354 -6.941 282 HD2 LYS 71 HD2 LYS 71 2.492 4.936 -6.573 283 HD3 LYS 71 HD1 LYS 71 2.104 6.416 -5.704 284 HE2 LYS 71 HE2 LYS 71 3.158 6.193 -8.438 285 HE3 LYS 71 HE1 LYS 71 1.460 6.556 -8.069 286 HZ1 LYS 71 HZ1 LYS 71 3.848 8.258 -7.506 287 HZ2 LYS 71 HZ2 LYS 71 2.305 8.615 -6.939 288 HZ3 LYS 71 HZ3 LYS 71 2.610 8.610 -8.589 289 H HIS 72 HN HIS 72 7.263 2.988 -6.228 290 HA HIS 72 HA HIS 72 8.193 4.686 -8.387 291 HB2 HIS 72 HB2 HIS 72 9.459 4.442 -6.229 292 HB3 HIS 72 HB1 HIS 72 9.841 2.792 -6.697 293 HD2 HIS 72 HD2 HIS 72 11.729 2.567 -8.795 294 HE1 HIS 72 HE1 HIS 72 12.963 6.586 -8.497 295 HE2 HIS 72 HE2 HIS 72 13.649 4.275 -9.122 296 H CYS 73 HN CYS 73 7.921 1.201 -7.657 297 HA CYS 73 HA CYS 73 8.139 0.807 -10.515 298 HB2 CYS 73 HB2 CYS 73 9.298 -1.314 -10.192 299 HB3 CYS 73 HB1 CYS 73 10.055 -0.074 -9.302 300 H HIS 74 HN HIS 74 6.333 -0.419 -11.318 301 HA HIS 74 HA HIS 74 4.120 -0.456 -9.387 302 HB2 HIS 74 HB2 HIS 74 4.021 0.649 -11.673 303 HB3 HIS 74 HB1 HIS 74 4.039 -0.978 -12.348 304 HD1 HIS 74 HD1 HIS 74 1.793 -1.853 -12.854 305 HD2 HIS 74 HD2 HIS 74 1.664 0.961 -9.811 306 HE1 HIS 74 HE1 HIS 74 -0.629 -1.563 -12.314 307 HE2 HIS 74 HE2 HIS 74 -0.678 0.356 -10.702 308 H THR 75 HN THR 75 5.635 -2.243 -8.614 309 HA THR 75 HA THR 75 4.850 -4.818 -9.726 310 HB THR 75 HB THR 75 7.286 -4.341 -9.160 311 HG1 THR 75 HG1 THR 75 7.500 -6.363 -8.978 312 HG21 THR 75 HG21 THR 75 6.992 -3.194 -7.014 313 HG22 THR 75 HG22 THR 75 8.005 -4.625 -6.810 314 HG23 THR 75 HG23 THR 75 6.314 -4.662 -6.311 315 H LYS 76 HN LYS 76 3.489 -6.178 -8.705 316 HA LYS 76 HA LYS 76 1.969 -5.029 -6.650 317 HB2 LYS 76 HB2 LYS 76 0.869 -7.443 -6.728 318 HB3 LYS 76 HB1 LYS 76 0.371 -6.114 -7.740 319 HG2 LYS 76 HG2 LYS 76 2.378 -8.189 -8.623 320 HG3 LYS 76 HG1 LYS 76 0.646 -8.382 -8.876 321 HD2 LYS 76 HD2 LYS 76 2.262 -6.042 -9.826 322 HD3 LYS 76 HD1 LYS 76 1.875 -7.424 -10.879 323 HE2 LYS 76 HE2 LYS 76 -0.017 -5.405 -9.614 324 HE3 LYS 76 HE1 LYS 76 0.377 -5.551 -11.316 325 HZ1 LYS 76 HZ1 LYS 76 -1.072 -7.583 -9.712 326 HZ2 LYS 76 HZ2 LYS 76 -0.783 -7.689 -11.380 327 HZ3 LYS 76 HZ3 LYS 76 -1.773 -6.492 -10.747 328 H LEU 77 HN LEU 77 2.942 -4.843 -4.956 329 HA LEU 77 HA LEU 77 4.289 -7.035 -3.602 330 HB2 LEU 77 HB2 LEU 77 5.377 -5.238 -2.293 331 HB3 LEU 77 HB1 LEU 77 5.435 -5.035 -4.041 332 HG LEU 77 HG LEU 77 3.799 -3.323 -4.086 333 HD11 LEU 77 HD11 LEU 77 3.900 -3.289 -1.101 334 HD12 LEU 77 HD12 LEU 77 2.503 -3.862 -2.001 335 HD13 LEU 77 HD13 LEU 77 3.007 -2.162 -2.115 336 HD21 LEU 77 HD21 LEU 77 5.957 -2.818 -2.136 337 HD22 LEU 77 HD22 LEU 77 5.146 -1.626 -3.161 338 HD23 LEU 77 HD23 LEU 77 6.145 -2.902 -3.878 339 H SER 78 HN SER 78 1.307 -5.798 -3.744 340 HA SER 78 HA SER 78 0.560 -5.259 -1.186 341 HB2 SER 78 HB2 SER 78 -1.689 -5.975 -2.248 342 HB3 SER 78 HB1 SER 78 -0.826 -4.566 -2.869 343 HG SER 78 HG SER 78 -1.429 -6.910 -4.069 344 H LEU 79 HN LEU 79 -0.087 -6.388 0.414 345 HA LEU 79 HA LEU 79 0.046 -8.033 1.918 346 HB2 LEU 79 HB2 LEU 79 -2.230 -8.012 0.439 347 HB3 LEU 79 HB1 LEU 79 -1.835 -9.721 0.545 348 HG LEU 79 HG LEU 79 -3.372 -9.042 2.358 349 HD11 LEU 79 HD11 LEU 79 -0.634 -9.763 3.230 350 HD12 LEU 79 HD12 LEU 79 -1.911 -10.859 2.690 351 HD13 LEU 79 HD13 LEU 79 -2.095 -9.958 4.213 352 HD21 LEU 79 HD21 LEU 79 -1.106 -7.212 3.235 353 HD22 LEU 79 HD22 LEU 79 -2.543 -7.541 4.176 354 HD23 LEU 79 HD23 LEU 79 -2.674 -6.694 2.648 355 H GLY 80 HN GLY 80 2.193 -8.464 1.187 356 HA2 GLY 80 HA2 GLY 80 2.651 -11.231 1.337 357 HA3 GLY 80 HA1 GLY 80 3.054 -10.622 -0.272 358 H SER 81 HN SER 81 4.190 -8.454 -0.174 359 HA SER 81 HA SER 81 5.912 -8.139 2.119 360 HB2 SER 81 HB2 SER 81 7.987 -8.137 0.669 361 HB3 SER 81 HB1 SER 81 7.215 -9.711 0.836 362 HG SER 81 HG SER 81 6.127 -9.147 -1.184 363 H TYR 82 HN TYR 82 5.391 -5.974 2.547 364 HA TYR 82 HA TYR 82 5.749 -4.168 0.336 365 HB2 TYR 82 HB2 TYR 82 3.581 -3.102 0.771 366 HB3 TYR 82 HB1 TYR 82 3.396 -4.775 0.326 367 HD1 TYR 82 HD1 TYR 82 3.554 -2.583 3.233 368 HD2 TYR 82 HD2 TYR 82 1.985 -6.200 1.682 369 HE1 TYR 82 HE1 TYR 82 2.105 -2.792 5.216 370 HE2 TYR 82 HE2 TYR 82 0.594 -6.456 3.643 371 HH TYR 82 HH TYR 82 0.598 -5.709 5.967 372 H ALA 83 HN ALA 83 5.759 -1.954 1.089 373 HA ALA 83 HA ALA 83 6.141 -1.571 3.934 374 HB1 ALA 83 HB1 ALA 83 8.390 -1.893 3.042 375 HB2 ALA 83 HB2 ALA 83 8.133 -0.207 3.490 376 HB3 ALA 83 HB3 ALA 83 8.084 -0.684 1.792 377 H ALA 84 HN ALA 84 4.801 0.096 4.424 378 HA ALA 84 HA ALA 84 4.032 1.736 2.144 379 HB1 ALA 84 HB1 ALA 84 1.898 2.075 3.249 380 HB2 ALA 84 HB2 ALA 84 2.464 1.122 4.629 381 HB3 ALA 84 HB3 ALA 84 2.254 0.356 3.069 382 H LEU 85 HN LEU 85 4.344 3.905 2.182 383 HA LEU 85 HA LEU 85 5.107 5.106 4.724 384 HB2 LEU 85 HB2 LEU 85 6.973 5.214 3.081 385 HB3 LEU 85 HB1 LEU 85 5.967 5.978 1.901 386 HG LEU 85 HG LEU 85 5.589 7.696 3.829 387 HD11 LEU 85 HD11 LEU 85 8.264 6.633 4.532 388 HD12 LEU 85 HD12 LEU 85 6.781 6.494 5.497 389 HD13 LEU 85 HD13 LEU 85 7.489 8.093 5.174 390 HD21 LEU 85 HD21 LEU 85 6.535 8.303 1.703 391 HD22 LEU 85 HD22 LEU 85 8.115 7.676 2.211 392 HD23 LEU 85 HD23 LEU 85 7.394 9.064 3.042 393 H HIS 86 HN HIS 86 4.167 7.153 5.043 394 HA HIS 86 HA HIS 86 1.598 7.626 4.244 395 HB2 HIS 86 HB2 HIS 86 2.085 10.105 4.731 396 HB3 HIS 86 HB1 HIS 86 2.346 8.959 6.031 397 HD1 HIS 86 HD1 HIS 86 4.352 9.604 7.332 398 HD2 HIS 86 HD2 HIS 86 4.881 10.413 3.296 399 HE1 HIS 86 HE1 HIS 86 6.649 10.591 7.105 400 HE2 HIS 86 HE2 HIS 86 6.936 11.052 4.672 401 H GLY 87 HN GLY 87 0.699 7.962 2.391 402 HA2 GLY 87 HA2 GLY 87 0.294 9.204 0.458 403 HA3 GLY 87 HA1 GLY 87 1.969 9.717 0.470 404 H GLU 88 HN GLU 88 3.036 6.889 0.688 405 HA GLU 88 HA GLU 88 2.302 5.942 -1.976 406 HB2 GLU 88 HB2 GLU 88 5.186 6.493 -1.209 407 HB3 GLU 88 HB1 GLU 88 4.545 5.877 -2.729 408 HG2 GLU 88 HG2 GLU 88 3.481 7.884 -3.257 409 HG3 GLU 88 HG1 GLU 88 3.811 8.555 -1.676 410 H PHE 89 HN PHE 89 2.554 3.718 -2.241 411 HA PHE 89 HA PHE 89 3.526 2.249 0.057 412 HB2 PHE 89 HB2 PHE 89 1.917 1.301 -2.377 413 HB3 PHE 89 HB1 PHE 89 2.357 0.338 -0.977 414 HD1 PHE 89 HD2 PHE 89 0.357 3.247 -2.066 415 HD2 PHE 89 HD1 PHE 89 1.040 0.408 1.068 416 HE1 PHE 89 HE2 PHE 89 -1.617 4.076 -0.848 417 HE2 PHE 89 HE1 PHE 89 -0.894 1.240 2.241 418 HZ PHE 89 HZ PHE 89 -2.221 3.132 1.265 419 H TYR 90 HN TYR 90 5.354 1.016 -0.209 420 HA TYR 90 HA TYR 90 6.725 1.489 -2.761 421 HB2 TYR 90 HB2 TYR 90 6.916 2.816 -0.429 422 HB3 TYR 90 HB1 TYR 90 8.390 1.837 -0.325 423 HD1 TYR 90 HD1 TYR 90 6.237 4.137 -2.294 424 HD2 TYR 90 HD2 TYR 90 10.235 2.892 -1.564 425 HE1 TYR 90 HE1 TYR 90 7.039 6.015 -3.594 426 HE2 TYR 90 HE2 TYR 90 11.057 4.787 -2.852 427 HH TYR 90 HH TYR 90 9.136 7.383 -3.713 428 H CYS 91 HN CYS 91 8.290 -0.151 -3.153 429 HA CYS 91 HA CYS 91 7.811 -2.550 -1.659 430 HB2 CYS 91 HB2 CYS 91 9.408 -3.663 -3.147 431 HB3 CYS 91 HB1 CYS 91 8.285 -2.760 -4.108 432 H LYS 92 HN LYS 92 9.388 -3.616 -0.307 433 HA LYS 92 HA LYS 92 10.633 -1.956 1.450 434 HB2 LYS 92 HB2 LYS 92 11.358 -4.827 0.812 435 HB3 LYS 92 HB1 LYS 92 11.827 -3.973 2.269 436 HG2 LYS 92 HG2 LYS 92 9.525 -3.788 2.959 437 HG3 LYS 92 HG1 LYS 92 8.975 -4.511 1.449 438 HD2 LYS 92 HD2 LYS 92 10.228 -6.573 2.042 439 HD3 LYS 92 HD1 LYS 92 10.660 -5.820 3.576 440 HE2 LYS 92 HE2 LYS 92 7.840 -6.363 2.638 441 HE3 LYS 92 HE1 LYS 92 8.738 -7.371 3.766 442 HZ1 LYS 92 HZ1 LYS 92 8.845 -5.434 5.279 443 HZ2 LYS 92 HZ2 LYS 92 7.255 -5.895 4.944 444 HZ3 LYS 92 HZ3 LYS 92 7.874 -4.549 4.217 445 HA PRO 93 HA PRO 93 14.929 -2.565 -0.942 446 HB2 PRO 93 HB2 PRO 93 13.864 -2.646 -3.710 447 HB3 PRO 93 HB1 PRO 93 15.250 -3.501 -3.023 448 HG2 PRO 93 HG2 PRO 93 12.988 -4.796 -3.571 449 HG3 PRO 93 HG1 PRO 93 13.905 -5.169 -2.104 450 HD2 PRO 93 HD2 PRO 93 11.426 -3.600 -2.432 451 HD3 PRO 93 HD1 PRO 93 11.890 -4.738 -1.151 452 H HIS 94 HN HIS 94 12.295 -1.091 -2.908 453 HA HIS 94 HA HIS 94 13.829 1.239 -3.483 454 HB2 HIS 94 HB2 HIS 94 10.901 0.688 -3.861 455 HB3 HIS 94 HB1 HIS 94 11.538 2.324 -4.008 456 HD2 HIS 94 HD2 HIS 94 14.304 1.272 -5.483 457 HE1 HIS 94 HE1 HIS 94 11.536 0.223 -8.518 458 HE2 HIS 94 HE2 HIS 94 13.992 0.414 -7.939 459 H PHE 95 HN PHE 95 11.652 0.436 -0.948 460 HA PHE 95 HA PHE 95 11.365 3.054 0.025 461 HB2 PHE 95 HB2 PHE 95 10.046 0.890 0.635 462 HB3 PHE 95 HB1 PHE 95 11.369 0.599 1.750 463 HD1 PHE 95 HD2 PHE 95 10.134 4.009 1.080 464 HD2 PHE 95 HD1 PHE 95 9.964 0.662 3.675 465 HE1 PHE 95 HE2 PHE 95 8.991 5.363 2.757 466 HE2 PHE 95 HE1 PHE 95 8.798 2.033 5.342 467 HZ PHE 95 HZ PHE 95 8.316 4.376 4.887 468 H GLN 96 HN GLN 96 13.694 0.460 0.723 469 HA GLN 96 HA GLN 96 15.184 1.928 2.590 470 HB2 GLN 96 HB2 GLN 96 15.934 -0.395 0.868 471 HB3 GLN 96 HB1 GLN 96 17.055 0.335 2.010 472 HG2 GLN 96 HG2 GLN 96 15.442 -0.093 3.807 473 HG3 GLN 96 HG1 GLN 96 14.404 -0.865 2.604 474 HE21 GLN 96 HE21 GLN 96 15.791 -1.897 5.021 475 HE22 GLN 96 HE22 GLN 96 16.692 -3.263 4.468 476 H GLN 97 HN GLN 97 15.517 1.684 -0.927 477 HA GLN 97 HA GLN 97 17.967 3.058 -0.985 478 HB2 GLN 97 HB2 GLN 97 15.896 2.492 -3.092 479 HB3 GLN 97 HB1 GLN 97 17.478 3.188 -3.389 480 HG2 GLN 97 HG2 GLN 97 18.542 1.164 -2.555 481 HG3 GLN 97 HG1 GLN 97 16.956 0.482 -2.198 482 HE21 GLN 97 HE21 GLN 97 19.157 1.418 -4.676 483 HE22 GLN 97 HE22 GLN 97 18.435 0.548 -5.972 484 H LEU 98 HN LEU 98 14.638 4.012 -1.757 485 HA LEU 98 HA LEU 98 15.416 6.689 -2.351 486 HB2 LEU 98 HB2 LEU 98 12.839 5.253 -2.285 487 HB3 LEU 98 HB1 LEU 98 12.962 6.959 -2.701 488 HG LEU 98 HG LEU 98 14.602 4.913 -4.171 489 HD11 LEU 98 HD11 LEU 98 11.801 5.795 -4.772 490 HD12 LEU 98 HD12 LEU 98 12.321 4.164 -4.318 491 HD13 LEU 98 HD13 LEU 98 12.843 4.864 -5.848 492 HD21 LEU 98 HD21 LEU 98 14.464 6.603 -5.923 493 HD22 LEU 98 HD22 LEU 98 15.160 7.260 -4.434 494 HD23 LEU 98 HD23 LEU 98 13.478 7.599 -4.852 495 H PHE 99 HN PHE 99 13.501 5.220 0.293 496 HA PHE 99 HA PHE 99 13.516 7.892 1.508 497 HB2 PHE 99 HB2 PHE 99 11.690 5.588 1.633 498 HB3 PHE 99 HB1 PHE 99 11.579 6.750 2.965 499 HD1 PHE 99 HD1 PHE 99 12.148 9.105 0.831 500 HD2 PHE 99 HD2 PHE 99 9.369 5.822 0.927 501 HE1 PHE 99 HE1 PHE 99 10.630 10.292 -0.702 502 HE2 PHE 99 HE2 PHE 99 7.928 7.032 -0.605 503 HZ PHE 99 HZ PHE 99 8.567 9.281 -1.411 504 H LYS 100 HN LYS 100 14.443 4.650 1.943 505 HA LYS 100 HA LYS 100 15.965 3.644 3.073 506 HB2 LYS 100 HB2 LYS 100 17.307 5.692 2.933 507 HB3 LYS 100 HB1 LYS 100 16.624 6.226 4.462 508 HG2 LYS 100 HG2 LYS 100 17.582 4.365 5.595 509 HG3 LYS 100 HG1 LYS 100 18.194 3.698 4.087 510 HD2 LYS 100 HD2 LYS 100 19.563 5.714 3.761 511 HD3 LYS 100 HD1 LYS 100 18.999 6.324 5.315 512 HE2 LYS 100 HE2 LYS 100 19.999 4.455 6.463 513 HE3 LYS 100 HE1 LYS 100 20.469 3.722 4.934 514 HZ1 LYS 100 HZ1 LYS 100 21.480 6.297 6.012 515 HZ2 LYS 100 HZ2 LYS 100 21.936 5.597 4.530 516 HZ3 LYS 100 HZ3 LYS 100 22.301 4.821 5.973 517 H SER 101 HN SER 101 13.822 5.559 4.970 518 HA SER 101 HA SER 101 14.281 4.201 7.405 519 HB2 SER 101 HB2 SER 101 12.006 5.986 6.604 520 HB3 SER 101 HB1 SER 101 12.503 5.595 8.246 521 HG SER 101 HG SER 101 13.263 7.616 7.391 522 H LYS 102 HN LYS 102 13.935 1.994 6.461 523 HA LYS 102 HA LYS 102 12.483 0.433 7.854 524 HB2 LYS 102 HB2 LYS 102 10.550 1.140 5.636 525 HB3 LYS 102 HB1 LYS 102 10.476 -0.415 6.436 526 HG2 LYS 102 HG2 LYS 102 10.026 2.282 7.723 527 HG3 LYS 102 HG1 LYS 102 8.789 1.106 7.299 528 HD2 LYS 102 HD2 LYS 102 9.794 -0.481 8.886 529 HD3 LYS 102 HD1 LYS 102 10.977 0.747 9.340 530 HE2 LYS 102 HE2 LYS 102 9.211 0.788 10.965 531 HE3 LYS 102 HE1 LYS 102 9.108 2.240 9.977 532 HZ1 LYS 102 HZ1 LYS 102 7.303 1.146 8.688 533 HZ2 LYS 102 HZ2 LYS 102 6.936 1.315 10.319 534 HZ3 LYS 102 HZ3 LYS 102 7.397 -0.175 9.733 535 H GLY 103 HN GLY 103 11.291 -0.839 4.893 536 HA2 GLY 103 HA2 GLY 103 12.205 -2.330 3.472 537 HA3 GLY 103 HA1 GLY 103 13.795 -1.857 4.067 538 H ASN 104 HN ASN 104 11.843 -2.557 6.617 539 HA ASN 104 HA ASN 104 13.316 -4.799 7.444 540 HB2 ASN 104 HB2 ASN 104 10.525 -3.992 8.343 541 HB3 ASN 104 HB1 ASN 104 11.575 -5.144 9.152 542 HD21 ASN 104 HD21 ASN 104 10.399 -2.750 10.201 543 HD22 ASN 104 HD22 ASN 104 11.699 -1.744 10.727 544 H TYR 105 HN TYR 105 13.235 -6.833 6.788 545 HA TYR 105 HA TYR 105 11.443 -7.508 4.698 546 HB2 TYR 105 HB2 TYR 105 13.941 -8.267 5.128 547 HB3 TYR 105 HB1 TYR 105 13.179 -9.525 6.088 548 HD1 TYR 105 HD1 TYR 105 13.681 -8.184 2.743 549 HD2 TYR 105 HD2 TYR 105 11.852 -11.288 5.004 550 HE1 TYR 105 HE1 TYR 105 13.300 -9.446 0.678 551 HE2 TYR 105 HE2 TYR 105 11.469 -12.564 2.934 552 HH TYR 105 HH TYR 105 11.201 -12.030 0.529 553 H ASP 106 HN ASP 106 9.694 -8.842 4.812 554 HA ASP 106 HA ASP 106 8.919 -10.059 7.245 555 HB2 ASP 106 HB2 ASP 106 8.490 -7.792 7.926 556 HB3 ASP 106 HB1 ASP 106 7.680 -7.437 6.412 557 H GLU 107 HN GLU 107 8.507 -11.826 5.940 558 HA GLU 107 HA GLU 107 6.132 -11.583 4.303 559 HB2 GLU 107 HB2 GLU 107 8.564 -13.285 3.661 560 HB3 GLU 107 HB1 GLU 107 6.997 -13.533 2.919 561 HG2 GLU 107 HG2 GLU 107 7.109 -11.178 2.124 562 HG3 GLU 107 HG1 GLU 107 8.792 -11.139 2.659 Start of MODEL 10 1 H1 ARG 36 HT1 ARG 36 -19.346 1.622 11.536 2 H2 ARG 36 HT2 ARG 36 -19.260 2.747 12.789 3 H3 ARG 36 HT3 ARG 36 -19.927 3.174 11.294 4 HA ARG 36 HA ARG 36 -20.995 1.083 13.057 5 HB2 ARG 36 HB2 ARG 36 -22.869 2.639 13.540 6 HB3 ARG 36 HB1 ARG 36 -21.340 3.157 14.220 7 HG2 ARG 36 HG2 ARG 36 -21.106 4.836 12.481 8 HG3 ARG 36 HG1 ARG 36 -22.578 4.257 11.693 9 HD2 ARG 36 HD2 ARG 36 -23.906 4.898 13.581 10 HD3 ARG 36 HD1 ARG 36 -22.483 5.328 14.521 11 HE ARG 36 HE ARG 36 -22.446 6.866 12.206 12 HH11 ARG 36 HH11 ARG 36 -24.609 6.573 15.021 13 HH12 ARG 36 HH12 ARG 36 -25.035 8.227 15.003 14 HH21 ARG 36 HH21 ARG 36 -23.058 9.087 12.233 15 HH22 ARG 36 HH22 ARG 36 -24.146 9.675 13.407 16 H ALA 37 HN ALA 37 -20.525 1.359 9.949 17 HA ALA 37 HA ALA 37 -23.180 0.430 9.334 18 HB1 ALA 37 HB1 ALA 37 -23.364 1.901 7.379 19 HB2 ALA 37 HB2 ALA 37 -21.872 2.714 7.851 20 HB3 ALA 37 HB3 ALA 37 -23.302 2.826 8.879 21 H GLN 38 HN GLN 38 -23.199 -0.922 7.558 22 HA GLN 38 HA GLN 38 -20.607 -1.876 6.733 23 HB2 GLN 38 HB2 GLN 38 -21.792 -3.717 5.550 24 HB3 GLN 38 HB1 GLN 38 -22.304 -3.615 7.216 25 HG2 GLN 38 HG2 GLN 38 -23.874 -2.569 4.853 26 HG3 GLN 38 HG1 GLN 38 -24.126 -4.135 5.605 27 HE21 GLN 38 HE21 GLN 38 -23.802 -3.107 8.336 28 HE22 GLN 38 HE22 GLN 38 -25.225 -2.173 8.644 29 H VAL 39 HN VAL 39 -20.117 0.138 5.893 30 HA VAL 39 HA VAL 39 -21.358 0.827 3.352 31 HB VAL 39 HB VAL 39 -21.413 2.523 5.144 32 HG11 VAL 39 HG11 VAL 39 -19.374 3.704 5.823 33 HG12 VAL 39 HG12 VAL 39 -18.416 2.500 4.958 34 HG13 VAL 39 HG13 VAL 39 -19.402 2.016 6.338 35 HG21 VAL 39 HG21 VAL 39 -21.465 3.290 2.843 36 HG22 VAL 39 HG22 VAL 39 -19.707 3.288 2.775 37 HG23 VAL 39 HG23 VAL 39 -20.544 4.431 3.826 38 H LYS 40 HN LYS 40 -20.120 1.224 1.617 39 HA LYS 40 HA LYS 40 -17.718 -0.184 1.255 40 HB2 LYS 40 HB2 LYS 40 -17.812 0.811 -1.021 41 HB3 LYS 40 HB1 LYS 40 -19.328 0.074 -0.540 42 HG2 LYS 40 HG2 LYS 40 -20.201 2.344 0.034 43 HG3 LYS 40 HG1 LYS 40 -18.702 3.025 -0.574 44 HD2 LYS 40 HD2 LYS 40 -20.402 3.212 -2.268 45 HD3 LYS 40 HD1 LYS 40 -19.203 2.035 -2.802 46 HE2 LYS 40 HE2 LYS 40 -20.686 0.216 -2.145 47 HE3 LYS 40 HE1 LYS 40 -21.862 1.388 -1.543 48 HZ1 LYS 40 HZ1 LYS 40 -22.082 2.244 -3.786 49 HZ2 LYS 40 HZ2 LYS 40 -22.465 0.608 -3.733 50 HZ3 LYS 40 HZ3 LYS 40 -20.982 1.105 -4.361 51 H GLU 41 HN GLU 41 -15.745 0.445 1.646 52 HA GLU 41 HA GLU 41 -15.177 3.129 2.616 53 HB2 GLU 41 HB2 GLU 41 -13.389 0.713 2.431 54 HB3 GLU 41 HB1 GLU 41 -13.032 2.167 3.335 55 HG2 GLU 41 HG2 GLU 41 -15.402 1.442 4.454 56 HG3 GLU 41 HG1 GLU 41 -14.756 -0.121 3.925 57 H THR 42 HN THR 42 -13.253 4.302 1.731 58 HA THR 42 HA THR 42 -12.954 3.532 -1.068 59 HB THR 42 HB THR 42 -12.138 6.265 -0.196 60 HG1 THR 42 HG1 THR 42 -14.255 5.877 0.696 61 HG21 THR 42 HG21 THR 42 -13.583 5.165 -2.598 62 HG22 THR 42 HG22 THR 42 -11.847 5.481 -2.514 63 HG23 THR 42 HG23 THR 42 -12.997 6.822 -2.441 64 H CYS 43 HN CYS 43 -10.869 3.753 -1.982 65 HA CYS 43 HA CYS 43 -8.987 2.591 -0.160 66 HB2 CYS 43 HB2 CYS 43 -9.268 1.204 -1.852 67 HB3 CYS 43 HB1 CYS 43 -9.671 2.469 -2.962 68 H ALA 44 HN ALA 44 -6.928 3.333 0.139 69 HA ALA 44 HA ALA 44 -6.371 6.063 -0.701 70 HB1 ALA 44 HB1 ALA 44 -6.102 5.412 1.608 71 HB2 ALA 44 HB2 ALA 44 -4.625 6.033 0.854 72 HB3 ALA 44 HB3 ALA 44 -4.803 4.291 1.127 73 H ALA 45 HN ALA 45 -5.505 2.880 -1.706 74 HA ALA 45 HA ALA 45 -2.870 3.716 -2.581 75 HB1 ALA 45 HB1 ALA 45 -4.191 1.020 -2.781 76 HB2 ALA 45 HB2 ALA 45 -3.165 1.576 -1.454 77 HB3 ALA 45 HB3 ALA 45 -2.489 1.394 -3.083 78 H CYS 46 HN CYS 46 -6.000 3.256 -3.844 79 HA CYS 46 HA CYS 46 -5.013 4.139 -6.402 80 HB2 CYS 46 HB2 CYS 46 -5.407 2.045 -7.592 81 HB3 CYS 46 HB1 CYS 46 -5.284 1.678 -6.053 82 H GLN 47 HN GLN 47 -6.980 4.779 -3.976 83 HA GLN 47 HA GLN 47 -8.789 5.864 -3.565 84 HB2 GLN 47 HB2 GLN 47 -7.982 7.385 -6.017 85 HB3 GLN 47 HB1 GLN 47 -9.169 7.836 -4.768 86 HG2 GLN 47 HG2 GLN 47 -7.583 7.970 -3.089 87 HG3 GLN 47 HG1 GLN 47 -6.370 7.143 -4.053 88 HE21 GLN 47 HE21 GLN 47 -6.926 8.765 -6.442 89 HE22 GLN 47 HE22 GLN 47 -6.277 10.324 -6.122 90 H LYS 48 HN LYS 48 -9.577 3.615 -4.774 91 HA LYS 48 HA LYS 48 -11.969 4.416 -6.270 92 HB2 LYS 48 HB2 LYS 48 -10.478 1.778 -6.313 93 HB3 LYS 48 HB1 LYS 48 -11.942 2.135 -7.213 94 HG2 LYS 48 HG2 LYS 48 -9.248 3.425 -7.582 95 HG3 LYS 48 HG1 LYS 48 -9.959 2.197 -8.618 96 HD2 LYS 48 HD2 LYS 48 -11.026 4.986 -8.136 97 HD3 LYS 48 HD1 LYS 48 -10.169 4.452 -9.582 98 HE2 LYS 48 HE2 LYS 48 -11.968 2.848 -10.051 99 HE3 LYS 48 HE1 LYS 48 -12.825 3.396 -8.614 100 HZ1 LYS 48 HZ1 LYS 48 -13.732 4.442 -10.525 101 HZ2 LYS 48 HZ2 LYS 48 -12.226 4.994 -11.034 102 HZ3 LYS 48 HZ3 LYS 48 -12.927 5.625 -9.634 103 H THR 49 HN THR 49 -13.884 3.357 -5.515 104 HA THR 49 HA THR 49 -13.900 2.915 -2.750 105 HB THR 49 HB THR 49 -16.020 1.955 -4.564 106 HG1 THR 49 HG1 THR 49 -16.059 4.615 -3.642 107 HG21 THR 49 HG21 THR 49 -15.890 3.235 -1.874 108 HG22 THR 49 HG22 THR 49 -16.365 1.557 -2.247 109 HG23 THR 49 HG23 THR 49 -17.405 2.912 -2.714 110 H VAL 50 HN VAL 50 -13.655 1.168 -1.589 111 HA VAL 50 HA VAL 50 -12.921 -1.295 -2.910 112 HB VAL 50 HB VAL 50 -12.846 -1.192 0.049 113 HG11 VAL 50 HG11 VAL 50 -10.986 -2.077 -2.081 114 HG12 VAL 50 HG12 VAL 50 -12.010 -3.060 -1.026 115 HG13 VAL 50 HG13 VAL 50 -10.640 -2.155 -0.364 116 HG21 VAL 50 HG21 VAL 50 -12.135 1.072 -0.283 117 HG22 VAL 50 HG22 VAL 50 -11.135 0.593 -1.641 118 HG23 VAL 50 HG23 VAL 50 -10.673 0.112 0.008 119 H TYR 51 HN TYR 51 -14.276 -3.046 -2.702 120 HA TYR 51 HA TYR 51 -16.692 -2.572 -1.193 121 HB2 TYR 51 HB2 TYR 51 -16.030 -4.714 -3.239 122 HB3 TYR 51 HB1 TYR 51 -17.627 -4.459 -2.514 123 HD1 TYR 51 HD1 TYR 51 -18.078 -1.747 -2.574 124 HD2 TYR 51 HD2 TYR 51 -16.004 -4.019 -5.457 125 HE1 TYR 51 HE1 TYR 51 -18.605 -0.027 -4.273 126 HE2 TYR 51 HE2 TYR 51 -16.500 -2.331 -7.180 127 HH TYR 51 HH TYR 51 -18.027 -0.558 -7.613 128 HA PRO 52 HA PRO 52 -15.819 -4.772 2.388 129 HB2 PRO 52 HB2 PRO 52 -17.726 -6.881 1.632 130 HB3 PRO 52 HB1 PRO 52 -17.579 -6.010 3.160 131 HG2 PRO 52 HG2 PRO 52 -19.506 -5.343 1.465 132 HG3 PRO 52 HG1 PRO 52 -18.598 -4.091 2.330 133 HD2 PRO 52 HD2 PRO 52 -18.448 -4.924 -0.519 134 HD3 PRO 52 HD1 PRO 52 -18.183 -3.329 0.207 135 H MET 53 HN MET 53 -16.035 -7.061 -0.303 136 HA MET 53 HA MET 53 -14.460 -9.077 0.959 137 HB2 MET 53 HB2 MET 53 -16.017 -9.567 -0.816 138 HB3 MET 53 HB1 MET 53 -15.036 -8.664 -1.972 139 HG2 MET 53 HG2 MET 53 -13.190 -10.245 -1.516 140 HG3 MET 53 HG1 MET 53 -14.277 -11.170 -0.496 141 HE1 MET 53 HE1 MET 53 -12.696 -12.465 -2.959 142 HE2 MET 53 HE2 MET 53 -13.956 -13.471 -3.673 143 HE3 MET 53 HE3 MET 53 -13.784 -13.388 -1.921 144 H GLU 54 HN GLU 54 -13.632 -6.326 -1.090 145 HA GLU 54 HA GLU 54 -10.886 -7.276 -1.459 146 HB2 GLU 54 HB2 GLU 54 -12.193 -4.720 -2.399 147 HB3 GLU 54 HB1 GLU 54 -10.653 -5.374 -2.917 148 HG2 GLU 54 HG2 GLU 54 -11.743 -7.219 -3.991 149 HG3 GLU 54 HG1 GLU 54 -13.309 -6.683 -3.372 150 H ARG 55 HN ARG 55 -12.783 -5.288 0.478 151 HA ARG 55 HA ARG 55 -10.971 -3.298 1.196 152 HB2 ARG 55 HB2 ARG 55 -13.078 -2.607 1.689 153 HB3 ARG 55 HB1 ARG 55 -13.617 -4.194 2.151 154 HG2 ARG 55 HG2 ARG 55 -12.013 -3.589 4.184 155 HG3 ARG 55 HG1 ARG 55 -12.401 -1.961 3.640 156 HD2 ARG 55 HD2 ARG 55 -14.806 -2.470 3.675 157 HD3 ARG 55 HD1 ARG 55 -14.457 -4.082 4.279 158 HE ARG 55 HE ARG 55 -13.666 -1.689 5.742 159 HH11 ARG 55 HH11 ARG 55 -15.485 -4.767 5.655 160 HH12 ARG 55 HH12 ARG 55 -15.941 -4.701 7.292 161 HH21 ARG 55 HH21 ARG 55 -14.330 -1.628 7.987 162 HH22 ARG 55 HH22 ARG 55 -15.289 -2.857 8.657 163 H LEU 56 HN LEU 56 -9.222 -3.726 1.791 164 HA LEU 56 HA LEU 56 -8.605 -5.401 4.100 165 HB2 LEU 56 HB2 LEU 56 -7.666 -6.269 2.037 166 HB3 LEU 56 HB1 LEU 56 -7.072 -4.695 1.591 167 HG LEU 56 HG LEU 56 -5.923 -6.073 4.024 168 HD11 LEU 56 HD11 LEU 56 -4.321 -7.145 2.618 169 HD12 LEU 56 HD12 LEU 56 -4.988 -6.351 1.201 170 HD13 LEU 56 HD13 LEU 56 -5.927 -7.618 2.026 171 HD21 LEU 56 HD21 LEU 56 -4.771 -4.225 1.933 172 HD22 LEU 56 HD22 LEU 56 -3.943 -4.823 3.375 173 HD23 LEU 56 HD23 LEU 56 -5.321 -3.732 3.534 174 H VAL 57 HN VAL 57 -6.977 -4.478 5.491 175 HA VAL 57 HA VAL 57 -6.539 -1.657 5.063 176 HB VAL 57 HB VAL 57 -8.250 -1.695 6.729 177 HG11 VAL 57 HG11 VAL 57 -6.617 -3.696 8.270 178 HG12 VAL 57 HG12 VAL 57 -8.133 -3.999 7.416 179 HG13 VAL 57 HG13 VAL 57 -8.113 -2.934 8.822 180 HG21 VAL 57 HG21 VAL 57 -5.591 -1.329 8.084 181 HG22 VAL 57 HG22 VAL 57 -7.137 -0.688 8.668 182 HG23 VAL 57 HG23 VAL 57 -6.458 -0.121 7.146 183 H ALA 58 HN ALA 58 -4.466 -1.427 4.667 184 HA ALA 58 HA ALA 58 -2.577 -3.031 6.273 185 HB1 ALA 58 HB1 ALA 58 -2.047 -1.613 3.619 186 HB2 ALA 58 HB2 ALA 58 -2.393 -3.316 3.726 187 HB3 ALA 58 HB3 ALA 58 -0.924 -2.680 4.436 188 H ASP 59 HN ASP 59 -1.242 -1.866 7.596 189 HA ASP 59 HA ASP 59 -0.580 -0.088 8.878 190 HB2 ASP 59 HB2 ASP 59 -0.210 1.837 6.645 191 HB3 ASP 59 HB1 ASP 59 0.722 1.311 7.979 192 H LYS 60 HN LYS 60 -3.274 -0.283 8.679 193 HA LYS 60 HA LYS 60 -5.197 0.669 9.178 194 HB2 LYS 60 HB2 LYS 60 -3.905 1.712 10.980 195 HB3 LYS 60 HB1 LYS 60 -3.535 3.043 9.897 196 HG2 LYS 60 HG2 LYS 60 -5.776 3.794 9.909 197 HG3 LYS 60 HG1 LYS 60 -6.324 2.325 10.720 198 HD2 LYS 60 HD2 LYS 60 -5.196 2.930 12.721 199 HD3 LYS 60 HD1 LYS 60 -4.361 4.247 11.889 200 HE2 LYS 60 HE2 LYS 60 -6.234 5.058 13.316 201 HE3 LYS 60 HE1 LYS 60 -6.471 5.434 11.613 202 HZ1 LYS 60 HZ1 LYS 60 -7.782 3.204 13.102 203 HZ2 LYS 60 HZ2 LYS 60 -7.967 3.518 11.467 204 HZ3 LYS 60 HZ3 LYS 60 -8.495 4.640 12.595 205 H LEU 61 HN LEU 61 -3.599 1.541 6.519 206 HA LEU 61 HA LEU 61 -5.503 3.509 5.552 207 HB2 LEU 61 HB2 LEU 61 -3.435 1.919 4.120 208 HB3 LEU 61 HB1 LEU 61 -4.205 3.381 3.511 209 HG LEU 61 HG LEU 61 -2.303 3.226 5.861 210 HD11 LEU 61 HD11 LEU 61 -1.866 4.320 3.101 211 HD12 LEU 61 HD12 LEU 61 -1.226 2.802 3.723 212 HD13 LEU 61 HD13 LEU 61 -0.700 4.334 4.429 213 HD21 LEU 61 HD21 LEU 61 -2.305 5.674 5.750 214 HD22 LEU 61 HD22 LEU 61 -3.906 5.037 6.113 215 HD23 LEU 61 HD23 LEU 61 -3.534 5.612 4.484 216 H ILE 62 HN ILE 62 -7.339 2.958 4.291 217 HA ILE 62 HA ILE 62 -7.878 0.088 4.197 218 HB ILE 62 HB ILE 62 -9.868 2.252 3.509 219 HG12 ILE 62 HG12 ILE 62 -8.981 2.716 5.781 220 HG13 ILE 62 HG11 ILE 62 -10.680 2.274 5.786 221 HG21 ILE 62 HG21 ILE 62 -11.445 0.544 4.190 222 HG22 ILE 62 HG22 ILE 62 -10.078 -0.499 4.601 223 HG23 ILE 62 HG23 ILE 62 -10.360 -0.046 2.905 224 HD11 ILE 62 HD11 ILE 62 -10.059 0.025 6.532 225 HD12 ILE 62 HD12 ILE 62 -9.494 1.273 7.650 226 HD13 ILE 62 HD13 ILE 62 -8.364 0.507 6.528 227 H PHE 63 HN PHE 63 -7.718 -0.946 2.347 228 HA PHE 63 HA PHE 63 -8.594 0.136 -0.040 229 HB2 PHE 63 HB2 PHE 63 -6.415 0.096 -1.357 230 HB3 PHE 63 HB1 PHE 63 -6.737 1.330 -0.154 231 HD1 PHE 63 HD2 PHE 63 -5.239 -2.050 0.514 232 HD2 PHE 63 HD1 PHE 63 -4.952 2.185 0.484 233 HE1 PHE 63 HE2 PHE 63 -3.107 -2.160 1.699 234 HE2 PHE 63 HE1 PHE 63 -2.876 2.065 1.630 235 HZ PHE 63 HZ PHE 63 -1.895 -0.036 2.253 236 H HIS 64 HN HIS 64 -8.011 -1.126 -1.990 237 HA HIS 64 HA HIS 64 -8.858 -3.801 -1.776 238 HB2 HIS 64 HB2 HIS 64 -7.296 -2.513 -4.041 239 HB3 HIS 64 HB1 HIS 64 -8.328 -3.927 -4.136 240 HD2 HIS 64 HD2 HIS 64 -10.907 -3.432 -4.628 241 HE1 HIS 64 HE1 HIS 64 -10.631 0.798 -4.561 242 HE2 HIS 64 HE2 HIS 64 -12.042 -1.207 -5.306 243 H ASN 65 HN ASN 65 -7.639 -5.584 -1.581 244 HA ASN 65 HA ASN 65 -5.033 -5.539 -0.719 245 HB2 ASN 65 HB2 ASN 65 -5.142 -7.957 -0.918 246 HB3 ASN 65 HB1 ASN 65 -6.565 -7.310 -0.135 247 HD21 ASN 65 HD21 ASN 65 -6.192 -9.870 -1.383 248 HD22 ASN 65 HD22 ASN 65 -7.398 -10.007 -2.613 249 H SER 66 HN SER 66 -6.346 -6.022 -3.937 250 HA SER 66 HA SER 66 -3.894 -6.808 -5.111 251 HB2 SER 66 HB2 SER 66 -5.208 -6.519 -7.190 252 HB3 SER 66 HB1 SER 66 -5.749 -7.747 -6.054 253 HG SER 66 HG SER 66 -6.882 -5.150 -6.429 254 H CYS 67 HN CYS 67 -4.617 -3.650 -4.157 255 HA CYS 67 HA CYS 67 -3.712 -2.675 -6.757 256 HB2 CYS 67 HB2 CYS 67 -4.560 -0.419 -6.013 257 HB3 CYS 67 HB1 CYS 67 -5.780 -1.662 -6.380 258 H PHE 68 HN PHE 68 -2.582 -2.552 -3.456 259 HA PHE 68 HA PHE 68 -1.065 -0.248 -4.122 260 HB2 PHE 68 HB2 PHE 68 0.098 -0.636 -1.918 261 HB3 PHE 68 HB1 PHE 68 -1.602 -0.114 -1.827 262 HD1 PHE 68 HD2 PHE 68 -3.039 -2.619 -1.782 263 HD2 PHE 68 HD1 PHE 68 0.840 -1.740 -0.314 264 HE1 PHE 68 HE2 PHE 68 -3.263 -4.444 -0.076 265 HE2 PHE 68 HE1 PHE 68 0.622 -3.536 1.358 266 HZ PHE 68 HZ PHE 68 -1.396 -4.874 1.460 267 H CYS 69 HN CYS 69 0.234 -0.452 -5.577 268 HA CYS 69 HA CYS 69 2.402 -2.414 -5.473 269 HB2 CYS 69 HB2 CYS 69 1.674 -0.581 -7.788 270 HB3 CYS 69 HB1 CYS 69 2.712 -1.980 -7.778 271 HG CYS 69 HG CYS 69 -0.644 -2.137 -7.264 272 H CYS 70 HN CYS 70 4.515 -1.426 -6.251 273 HA CYS 70 HA CYS 70 5.160 0.834 -4.655 274 HB2 CYS 70 HB2 CYS 70 6.821 -0.742 -4.977 275 HB3 CYS 70 HB1 CYS 70 6.714 -0.691 -6.742 276 H LYS 71 HN LYS 71 5.454 2.791 -5.138 277 HA LYS 71 HA LYS 71 3.944 3.844 -7.302 278 HB2 LYS 71 HB2 LYS 71 4.051 4.868 -4.985 279 HB3 LYS 71 HB1 LYS 71 5.659 5.367 -5.417 280 HG2 LYS 71 HG2 LYS 71 4.244 7.310 -5.706 281 HG3 LYS 71 HG1 LYS 71 4.721 6.680 -7.278 282 HD2 LYS 71 HD2 LYS 71 2.127 5.782 -6.164 283 HD3 LYS 71 HD1 LYS 71 2.247 7.444 -6.741 284 HE2 LYS 71 HE2 LYS 71 3.258 5.194 -8.266 285 HE3 LYS 71 HE1 LYS 71 1.519 5.595 -8.440 286 HZ1 LYS 71 HZ1 LYS 71 2.495 7.871 -9.131 287 HZ2 LYS 71 HZ2 LYS 71 2.728 6.607 -10.205 288 HZ3 LYS 71 HZ3 LYS 71 3.991 7.082 -9.227 289 H HIS 72 HN HIS 72 7.169 2.998 -6.962 290 HA HIS 72 HA HIS 72 7.960 4.793 -9.139 291 HB2 HIS 72 HB2 HIS 72 9.276 4.802 -6.992 292 HB3 HIS 72 HB1 HIS 72 9.815 3.173 -7.387 293 HD2 HIS 72 HD2 HIS 72 11.569 3.039 -9.637 294 HE1 HIS 72 HE1 HIS 72 12.556 7.135 -9.364 295 HE2 HIS 72 HE2 HIS 72 13.387 4.816 -9.896 296 H CYS 73 HN CYS 73 7.539 1.377 -8.274 297 HA CYS 73 HA CYS 73 7.926 0.834 -11.051 298 HB2 CYS 73 HB2 CYS 73 9.275 -1.111 -10.647 299 HB3 CYS 73 HB1 CYS 73 9.889 0.226 -9.760 300 H HIS 74 HN HIS 74 6.233 -0.541 -11.748 301 HA HIS 74 HA HIS 74 4.112 -0.843 -9.814 302 HB2 HIS 74 HB2 HIS 74 2.706 -1.666 -11.660 303 HB3 HIS 74 HB1 HIS 74 3.379 -0.066 -11.935 304 HD1 HIS 74 HD1 HIS 74 4.705 0.241 -14.100 305 HD2 HIS 74 HD2 HIS 74 3.868 -3.746 -13.319 306 HE1 HIS 74 HE1 HIS 74 5.298 -0.986 -16.172 307 HE2 HIS 74 HE2 HIS 74 4.537 -3.317 -15.781 308 H THR 75 HN THR 75 5.757 -2.291 -8.747 309 HA THR 75 HA THR 75 5.226 -5.031 -9.521 310 HB THR 75 HB THR 75 7.557 -4.368 -8.863 311 HG1 THR 75 HG1 THR 75 7.549 -6.407 -8.556 312 HG21 THR 75 HG21 THR 75 8.099 -4.163 -6.452 313 HG22 THR 75 HG22 THR 75 6.374 -4.167 -6.084 314 HG23 THR 75 HG23 THR 75 7.074 -2.844 -7.018 315 H LYS 76 HN LYS 76 3.838 -6.277 -8.503 316 HA LYS 76 HA LYS 76 2.013 -5.053 -6.657 317 HB2 LYS 76 HB2 LYS 76 1.398 -6.623 -8.587 318 HB3 LYS 76 HB1 LYS 76 2.065 -7.922 -7.616 319 HG2 LYS 76 HG2 LYS 76 -0.202 -6.191 -6.639 320 HG3 LYS 76 HG1 LYS 76 -0.473 -7.617 -7.630 321 HD2 LYS 76 HD2 LYS 76 0.946 -7.608 -4.963 322 HD3 LYS 76 HD1 LYS 76 -0.757 -8.010 -5.197 323 HE2 LYS 76 HE2 LYS 76 -0.082 -9.860 -6.697 324 HE3 LYS 76 HE1 LYS 76 1.607 -9.476 -6.388 325 HZ1 LYS 76 HZ1 LYS 76 1.229 -9.950 -4.047 326 HZ2 LYS 76 HZ2 LYS 76 0.889 -11.282 -5.019 327 HZ3 LYS 76 HZ3 LYS 76 -0.379 -10.367 -4.390 328 H LEU 77 HN LEU 77 3.176 -4.694 -4.934 329 HA LEU 77 HA LEU 77 4.571 -6.807 -3.490 330 HB2 LEU 77 HB2 LEU 77 5.713 -4.933 -2.336 331 HB3 LEU 77 HB1 LEU 77 5.691 -4.857 -4.094 332 HG LEU 77 HG LEU 77 4.010 -3.170 -4.175 333 HD11 LEU 77 HD11 LEU 77 3.319 -1.855 -2.294 334 HD12 LEU 77 HD12 LEU 77 4.371 -2.793 -1.256 335 HD13 LEU 77 HD13 LEU 77 2.923 -3.554 -1.917 336 HD21 LEU 77 HD21 LEU 77 6.340 -2.663 -4.252 337 HD22 LEU 77 HD22 LEU 77 6.353 -2.499 -2.494 338 HD23 LEU 77 HD23 LEU 77 5.417 -1.373 -3.475 339 H SER 78 HN SER 78 1.590 -5.710 -3.568 340 HA SER 78 HA SER 78 0.745 -4.939 -1.091 341 HB2 SER 78 HB2 SER 78 -0.729 -6.823 -2.749 342 HB3 SER 78 HB1 SER 78 -1.296 -5.345 -1.977 343 HG SER 78 HG SER 78 0.073 -4.181 -3.506 344 H LEU 79 HN LEU 79 0.409 -5.977 0.769 345 HA LEU 79 HA LEU 79 0.581 -7.497 2.413 346 HB2 LEU 79 HB2 LEU 79 -1.620 -7.921 0.742 347 HB3 LEU 79 HB1 LEU 79 -1.101 -9.502 1.300 348 HG LEU 79 HG LEU 79 -2.859 -8.497 2.701 349 HD11 LEU 79 HD11 LEU 79 -1.754 -8.891 4.843 350 HD12 LEU 79 HD12 LEU 79 -0.191 -8.804 3.999 351 HD13 LEU 79 HD13 LEU 79 -1.328 -10.099 3.614 352 HD21 LEU 79 HD21 LEU 79 -2.365 -6.169 2.529 353 HD22 LEU 79 HD22 LEU 79 -0.763 -6.375 3.216 354 HD23 LEU 79 HD23 LEU 79 -2.190 -6.605 4.227 355 H GLY 80 HN GLY 80 2.560 -8.224 2.623 356 HA2 GLY 80 HA2 GLY 80 3.296 -10.776 2.608 357 HA3 GLY 80 HA1 GLY 80 3.583 -10.332 0.925 358 H SER 81 HN SER 81 4.801 -8.305 0.631 359 HA SER 81 HA SER 81 6.576 -7.603 2.810 360 HB2 SER 81 HB2 SER 81 8.606 -7.952 1.348 361 HB3 SER 81 HB1 SER 81 7.793 -9.446 1.811 362 HG SER 81 HG SER 81 6.883 -8.314 -0.518 363 H TYR 82 HN TYR 82 6.141 -5.439 2.824 364 HA TYR 82 HA TYR 82 6.501 -4.012 0.350 365 HB2 TYR 82 HB2 TYR 82 4.347 -2.848 0.573 366 HB3 TYR 82 HB1 TYR 82 4.123 -4.566 0.373 367 HD1 TYR 82 HD1 TYR 82 4.395 -2.018 3.032 368 HD2 TYR 82 HD2 TYR 82 2.443 -5.598 1.799 369 HE1 TYR 82 HE1 TYR 82 2.861 -1.867 4.953 370 HE2 TYR 82 HE2 TYR 82 0.962 -5.446 3.723 371 HH TYR 82 HH TYR 82 0.720 -2.574 5.504 372 H ALA 83 HN ALA 83 6.485 -1.678 0.729 373 HA ALA 83 HA ALA 83 7.090 -0.928 3.479 374 HB1 ALA 83 HB1 ALA 83 8.637 0.795 2.512 375 HB2 ALA 83 HB2 ALA 83 8.454 0.028 0.938 376 HB3 ALA 83 HB3 ALA 83 9.201 -0.854 2.271 377 H ALA 84 HN ALA 84 5.832 0.791 4.090 378 HA ALA 84 HA ALA 84 4.448 2.144 1.915 379 HB1 ALA 84 HB1 ALA 84 3.131 1.243 4.479 380 HB2 ALA 84 HB2 ALA 84 2.922 0.495 2.895 381 HB3 ALA 84 HB3 ALA 84 2.367 2.142 3.162 382 H LEU 85 HN LEU 85 4.523 4.246 2.062 383 HA LEU 85 HA LEU 85 5.326 5.419 4.602 384 HB2 LEU 85 HB2 LEU 85 7.089 5.553 2.947 385 HB3 LEU 85 HB1 LEU 85 6.038 6.308 1.772 386 HG LEU 85 HG LEU 85 5.751 8.064 3.674 387 HD11 LEU 85 HD11 LEU 85 6.944 6.830 5.352 388 HD12 LEU 85 HD12 LEU 85 7.683 8.399 4.980 389 HD13 LEU 85 HD13 LEU 85 8.401 6.902 4.324 390 HD21 LEU 85 HD21 LEU 85 8.243 7.888 2.019 391 HD22 LEU 85 HD22 LEU 85 7.655 9.331 2.855 392 HD23 LEU 85 HD23 LEU 85 6.702 8.621 1.546 393 H HIS 86 HN HIS 86 4.309 7.375 4.997 394 HA HIS 86 HA HIS 86 1.694 7.760 4.334 395 HB2 HIS 86 HB2 HIS 86 2.183 10.262 4.826 396 HB3 HIS 86 HB1 HIS 86 2.499 9.093 6.095 397 HD1 HIS 86 HD1 HIS 86 4.633 9.578 7.283 398 HD2 HIS 86 HD2 HIS 86 4.891 10.687 3.297 399 HE1 HIS 86 HE1 HIS 86 6.914 10.594 6.988 400 HE2 HIS 86 HE2 HIS 86 6.801 11.608 4.688 401 H GLY 87 HN GLY 87 0.740 8.026 2.454 402 HA2 GLY 87 HA2 GLY 87 0.252 9.277 0.531 403 HA3 GLY 87 HA1 GLY 87 1.919 9.823 0.502 404 H GLU 88 HN GLU 88 3.246 7.206 0.586 405 HA GLU 88 HA GLU 88 2.361 6.177 -2.024 406 HB2 GLU 88 HB2 GLU 88 5.289 6.849 -1.514 407 HB3 GLU 88 HB1 GLU 88 4.531 6.289 -2.961 408 HG2 GLU 88 HG2 GLU 88 3.342 8.256 -3.350 409 HG3 GLU 88 HG1 GLU 88 3.699 8.880 -1.750 410 H PHE 89 HN PHE 89 2.773 4.020 -2.393 411 HA PHE 89 HA PHE 89 3.863 2.483 -0.182 412 HB2 PHE 89 HB2 PHE 89 2.201 1.622 -2.602 413 HB3 PHE 89 HB1 PHE 89 2.656 0.601 -1.253 414 HD1 PHE 89 HD2 PHE 89 0.631 3.484 -2.290 415 HD2 PHE 89 HD1 PHE 89 1.447 0.747 0.894 416 HE1 PHE 89 HE2 PHE 89 -1.284 4.361 -1.028 417 HE2 PHE 89 HE1 PHE 89 -0.422 1.610 2.121 418 HZ PHE 89 HZ PHE 89 -1.804 3.474 1.146 419 H TYR 90 HN TYR 90 5.689 1.275 -0.604 420 HA TYR 90 HA TYR 90 6.937 1.826 -3.207 421 HB2 TYR 90 HB2 TYR 90 7.203 3.179 -0.893 422 HB3 TYR 90 HB1 TYR 90 8.706 2.241 -0.867 423 HD1 TYR 90 HD1 TYR 90 6.391 4.495 -2.736 424 HD2 TYR 90 HD2 TYR 90 10.451 3.275 -2.237 425 HE1 TYR 90 HE1 TYR 90 7.083 6.303 -4.161 426 HE2 TYR 90 HE2 TYR 90 11.170 5.109 -3.644 427 HH TYR 90 HH TYR 90 10.143 6.517 -5.520 428 H CYS 91 HN CYS 91 8.509 0.206 -3.691 429 HA CYS 91 HA CYS 91 8.226 -2.184 -2.128 430 HB2 CYS 91 HB2 CYS 91 9.722 -3.250 -3.706 431 HB3 CYS 91 HB1 CYS 91 8.562 -2.328 -4.614 432 H LYS 92 HN LYS 92 9.927 -3.168 -0.884 433 HA LYS 92 HA LYS 92 11.263 -1.284 0.583 434 HB2 LYS 92 HB2 LYS 92 11.710 -4.261 0.461 435 HB3 LYS 92 HB1 LYS 92 12.546 -3.217 1.611 436 HG2 LYS 92 HG2 LYS 92 10.400 -2.434 2.479 437 HG3 LYS 92 HG1 LYS 92 9.544 -3.485 1.361 438 HD2 LYS 92 HD2 LYS 92 11.450 -4.476 3.488 439 HD3 LYS 92 HD1 LYS 92 9.732 -4.247 3.775 440 HE2 LYS 92 HE2 LYS 92 10.106 -6.561 3.344 441 HE3 LYS 92 HE1 LYS 92 9.289 -5.889 1.940 442 HZ1 LYS 92 HZ1 LYS 92 12.218 -6.299 2.096 443 HZ2 LYS 92 HZ2 LYS 92 11.294 -6.031 0.675 444 HZ3 LYS 92 HZ3 LYS 92 11.163 -7.453 1.520 445 HA PRO 93 HA PRO 93 15.398 -2.028 -2.027 446 HB2 PRO 93 HB2 PRO 93 14.015 -2.093 -4.650 447 HB3 PRO 93 HB1 PRO 93 15.509 -2.888 -4.143 448 HG2 PRO 93 HG2 PRO 93 13.254 -4.305 -4.419 449 HG3 PRO 93 HG1 PRO 93 14.347 -4.624 -3.066 450 HD2 PRO 93 HD2 PRO 93 11.777 -3.163 -3.115 451 HD3 PRO 93 HD1 PRO 93 12.432 -4.257 -1.879 452 H HIS 94 HN HIS 94 12.589 -0.543 -3.700 453 HA HIS 94 HA HIS 94 14.059 1.798 -4.366 454 HB2 HIS 94 HB2 HIS 94 11.120 1.184 -4.559 455 HB3 HIS 94 HB1 HIS 94 11.684 2.840 -4.733 456 HD2 HIS 94 HD2 HIS 94 14.369 2.032 -6.460 457 HE1 HIS 94 HE1 HIS 94 11.474 0.674 -9.253 458 HE2 HIS 94 HE2 HIS 94 13.932 1.100 -8.873 459 H PHE 95 HN PHE 95 12.133 0.927 -1.675 460 HA PHE 95 HA PHE 95 11.828 3.478 -0.514 461 HB2 PHE 95 HB2 PHE 95 10.763 1.221 0.181 462 HB3 PHE 95 HB1 PHE 95 12.264 0.935 1.034 463 HD1 PHE 95 HD2 PHE 95 9.463 3.314 0.750 464 HD2 PHE 95 HD1 PHE 95 12.576 1.772 3.150 465 HE1 PHE 95 HE2 PHE 95 8.608 4.587 2.604 466 HE2 PHE 95 HE1 PHE 95 11.726 3.053 5.085 467 HZ PHE 95 HZ PHE 95 9.726 4.474 4.819 468 H GLN 96 HN GLN 96 14.413 1.065 -0.394 469 HA GLN 96 HA GLN 96 16.189 2.420 1.373 470 HB2 GLN 96 HB2 GLN 96 16.742 0.488 -0.855 471 HB3 GLN 96 HB1 GLN 96 17.985 1.118 0.203 472 HG2 GLN 96 HG2 GLN 96 16.799 0.039 2.103 473 HG3 GLN 96 HG1 GLN 96 15.677 -0.667 0.935 474 HE21 GLN 96 HE21 GLN 96 17.703 -1.935 2.740 475 HE22 GLN 96 HE22 GLN 96 18.697 -2.878 1.697 476 H GLN 97 HN GLN 97 16.004 2.511 -2.158 477 HA GLN 97 HA GLN 97 18.245 4.214 -2.298 478 HB2 GLN 97 HB2 GLN 97 16.076 3.446 -4.221 479 HB3 GLN 97 HB1 GLN 97 17.476 4.419 -4.657 480 HG2 GLN 97 HG2 GLN 97 18.936 2.559 -4.077 481 HG3 GLN 97 HG1 GLN 97 17.537 1.614 -3.572 482 HE21 GLN 97 HE21 GLN 97 19.508 1.070 -5.640 483 HE22 GLN 97 HE22 GLN 97 18.609 0.888 -7.111 484 H LEU 98 HN LEU 98 14.800 4.738 -2.746 485 HA LEU 98 HA LEU 98 15.149 7.500 -3.296 486 HB2 LEU 98 HB2 LEU 98 12.872 5.681 -3.210 487 HB3 LEU 98 HB1 LEU 98 12.689 7.385 -3.635 488 HG LEU 98 HG LEU 98 14.628 5.586 -5.095 489 HD11 LEU 98 HD11 LEU 98 11.770 6.140 -5.756 490 HD12 LEU 98 HD12 LEU 98 12.446 4.593 -5.220 491 HD13 LEU 98 HD13 LEU 98 12.924 5.278 -6.778 492 HD21 LEU 98 HD21 LEU 98 13.221 8.144 -5.776 493 HD22 LEU 98 HD22 LEU 98 14.249 7.239 -6.875 494 HD23 LEU 98 HD23 LEU 98 14.944 7.965 -5.412 495 H PHE 99 HN PHE 99 13.605 5.749 -0.522 496 HA PHE 99 HA PHE 99 12.947 8.448 0.500 497 HB2 PHE 99 HB2 PHE 99 11.744 5.795 0.891 498 HB3 PHE 99 HB1 PHE 99 11.479 7.035 2.120 499 HD1 PHE 99 HD1 PHE 99 11.466 9.107 -0.490 500 HD2 PHE 99 HD2 PHE 99 9.323 5.641 0.781 501 HE1 PHE 99 HE1 PHE 99 9.511 9.819 -1.796 502 HE2 PHE 99 HE2 PHE 99 7.397 6.363 -0.553 503 HZ PHE 99 HZ PHE 99 7.517 8.479 -1.839 504 H LYS 100 HN LYS 100 14.502 5.422 1.580 505 HA LYS 100 HA LYS 100 15.871 6.752 3.663 506 HB2 LYS 100 HB2 LYS 100 13.639 6.906 4.647 507 HB3 LYS 100 HB1 LYS 100 13.373 5.198 4.410 508 HG2 LYS 100 HG2 LYS 100 15.118 4.729 6.084 509 HG3 LYS 100 HG1 LYS 100 15.319 6.480 6.282 510 HD2 LYS 100 HD2 LYS 100 13.028 6.703 7.047 511 HD3 LYS 100 HD1 LYS 100 12.699 5.010 6.699 512 HE2 LYS 100 HE2 LYS 100 14.313 4.370 8.456 513 HE3 LYS 100 HE1 LYS 100 14.574 6.077 8.813 514 HZ1 LYS 100 HZ1 LYS 100 12.959 5.087 10.348 515 HZ2 LYS 100 HZ2 LYS 100 11.977 4.632 9.074 516 HZ3 LYS 100 HZ3 LYS 100 12.220 6.266 9.399 517 H SER 101 HN SER 101 14.351 3.665 4.197 518 HA SER 101 HA SER 101 15.639 1.728 2.910 519 HB2 SER 101 HB2 SER 101 17.827 2.752 3.894 520 HB3 SER 101 HB1 SER 101 17.203 2.257 5.467 521 HG SER 101 HG SER 101 18.377 0.545 4.822 522 H LYS 102 HN LYS 102 15.680 -0.206 4.229 523 HA LYS 102 HA LYS 102 14.454 -0.617 6.624 524 HB2 LYS 102 HB2 LYS 102 12.420 0.396 5.262 525 HB3 LYS 102 HB1 LYS 102 12.410 -1.148 4.433 526 HG2 LYS 102 HG2 LYS 102 12.085 -0.815 7.422 527 HG3 LYS 102 HG1 LYS 102 10.746 -0.941 6.286 528 HD2 LYS 102 HD2 LYS 102 11.478 -3.178 5.662 529 HD3 LYS 102 HD1 LYS 102 12.876 -3.028 6.725 530 HE2 LYS 102 HE2 LYS 102 9.998 -2.925 7.638 531 HE3 LYS 102 HE1 LYS 102 11.018 -4.360 7.705 532 HZ1 LYS 102 HZ1 LYS 102 12.511 -3.141 9.197 533 HZ2 LYS 102 HZ2 LYS 102 10.965 -3.266 9.822 534 HZ3 LYS 102 HZ3 LYS 102 11.482 -1.809 9.171 535 H GLY 103 HN GLY 103 14.145 -1.732 3.285 536 HA2 GLY 103 HA2 GLY 103 15.136 -3.465 2.182 537 HA3 GLY 103 HA1 GLY 103 16.146 -3.728 3.593 538 H ASN 104 HN ASN 104 15.291 -4.871 5.320 539 HA ASN 104 HA ASN 104 14.616 -6.841 6.156 540 HB2 ASN 104 HB2 ASN 104 12.717 -5.246 6.592 541 HB3 ASN 104 HB1 ASN 104 11.896 -5.947 5.204 542 HD21 ASN 104 HD21 ASN 104 12.972 -6.472 8.464 543 HD22 ASN 104 HD22 ASN 104 12.036 -7.885 8.753 544 H TYR 105 HN TYR 105 15.801 -7.736 4.321 545 HA TYR 105 HA TYR 105 14.079 -9.266 2.541 546 HB2 TYR 105 HB2 TYR 105 17.119 -9.147 2.677 547 HB3 TYR 105 HB1 TYR 105 16.168 -9.912 1.402 548 HD1 TYR 105 HD2 TYR 105 14.476 -8.324 0.175 549 HD2 TYR 105 HD1 TYR 105 17.853 -6.952 2.364 550 HE1 TYR 105 HE2 TYR 105 14.367 -6.176 -1.016 551 HE2 TYR 105 HE1 TYR 105 17.743 -4.798 1.186 552 HH TYR 105 HH TYR 105 16.836 -3.912 -0.966 553 H ASP 106 HN ASP 106 13.147 -10.661 3.852 554 HA ASP 106 HA ASP 106 14.111 -11.682 6.215 555 HB2 ASP 106 HB2 ASP 106 11.741 -11.752 5.638 556 HB3 ASP 106 HB1 ASP 106 12.071 -12.942 4.383 557 H GLU 107 HN GLU 107 15.518 -13.061 6.762 558 HA GLU 107 HA GLU 107 16.533 -14.936 4.777 559 HB2 GLU 107 HB2 GLU 107 18.071 -13.077 5.579 560 HB3 GLU 107 HB1 GLU 107 17.990 -13.805 7.175 561 HG2 GLU 107 HG2 GLU 107 20.006 -14.488 6.036 562 HG3 GLU 107 HG1 GLU 107 18.932 -15.874 6.264
Contact the webmaster for help, if required. Monday, April 29, 2024 12:27:35 AM GMT (wattos1)