NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
587290 | 2mwx | 25376 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLU 49 H GLU 49 1.808 0.001 0.855 2 HA GLU 49 HA GLU 49 1.637 -0.716 -1.911 3 HB2 GLU 49 HB2 GLU 49 1.116 1.859 -1.641 4 HB3 GLU 49 HB3 GLU 49 2.865 1.976 -1.499 5 HG2 GLU 49 HG2 GLU 49 2.270 2.360 -3.771 6 HG3 GLU 49 HG3 GLU 49 3.065 0.790 -3.669 7 H GLU 50 H GLU 50 3.772 -0.882 -2.923 8 HA GLU 50 HA GLU 50 5.901 -1.195 -0.909 9 HB2 GLU 50 HB2 GLU 50 4.842 -3.262 -2.149 10 HB3 GLU 50 HB3 GLU 50 5.899 -2.756 -3.460 11 HG2 GLU 50 HG2 GLU 50 6.904 -4.489 -2.049 12 HG3 GLU 50 HG3 GLU 50 7.837 -2.994 -2.052 13 H GLU 51 H GLU 51 8.111 -0.957 -1.723 14 HA GLU 51 HA GLU 51 8.478 1.451 -3.104 15 HB2 GLU 51 HB2 GLU 51 10.871 0.857 -3.132 16 HB3 GLU 51 HB3 GLU 51 10.143 0.603 -1.552 17 HG2 GLU 51 HG2 GLU 51 10.225 -1.705 -3.406 18 HG3 GLU 51 HG3 GLU 51 11.745 -1.175 -2.686 19 H PHE 52 H PHE 52 8.104 -1.786 -4.238 20 HA PHE 52 HA PHE 52 8.656 -0.865 -6.981 21 HB2 PHE 52 HB2 PHE 52 9.571 -2.985 -7.560 22 HB3 PHE 52 HB3 PHE 52 10.348 -2.508 -6.054 23 HD1 PHE 52 HD1 PHE 52 9.451 -3.485 -3.889 24 HD2 PHE 52 HD2 PHE 52 8.444 -5.015 -7.731 25 HE1 PHE 52 HE1 PHE 52 8.762 -5.610 -2.858 26 HE2 PHE 52 HE2 PHE 52 7.752 -7.142 -6.706 27 HZ PHE 52 HZ PHE 52 7.910 -7.442 -4.267 28 H GLN 53 H GLN 53 7.168 -1.350 -8.526 29 HA GLN 53 HA GLN 53 4.708 -2.659 -7.588 30 HB2 GLN 53 HB2 GLN 53 3.673 -1.467 -9.584 31 HB3 GLN 53 HB3 GLN 53 4.199 -0.451 -8.248 32 HG2 GLN 53 HG2 GLN 53 6.235 0.109 -9.461 33 HG3 GLN 53 HG3 GLN 53 5.729 -0.925 -10.796 34 HE21 GLN 53 HE21 GLN 53 6.013 1.082 -12.018 35 HE22 GLN 53 HE22 GLN 53 4.695 2.195 -12.099 36 H PHE 54 H PHE 54 6.098 -4.656 -8.059 37 HA PHE 54 HA PHE 54 5.428 -5.561 -10.762 38 HB2 PHE 54 HB2 PHE 54 8.013 -4.899 -10.115 39 HB3 PHE 54 HB3 PHE 54 7.980 -6.627 -9.782 40 HD1 PHE 54 HD1 PHE 54 6.518 -4.428 -12.423 41 HD2 PHE 54 HD2 PHE 54 8.861 -7.858 -11.496 42 HE1 PHE 54 HE1 PHE 54 6.785 -4.890 -14.824 43 HE2 PHE 54 HE2 PHE 54 9.133 -8.325 -13.896 44 HZ PHE 54 HZ PHE 54 8.095 -6.840 -15.564 45 H LEU 55 H LEU 55 5.547 -7.958 -10.958 46 HA LEU 55 HA LEU 55 4.469 -9.167 -8.531 47 HB2 LEU 55 HB2 LEU 55 4.558 -10.135 -11.383 48 HB3 LEU 55 HB3 LEU 55 3.830 -11.025 -10.047 49 HG LEU 55 HG LEU 55 2.895 -8.423 -11.245 50 HD11 LEU 55 HD11 LEU 55 0.773 -10.044 -11.258 51 HD12 LEU 55 HD12 LEU 55 2.051 -11.254 -11.380 52 HD13 LEU 55 HD13 LEU 55 1.933 -9.972 -12.586 53 HD21 LEU 55 HD21 LEU 55 2.517 -8.103 -8.962 54 HD22 LEU 55 HD22 LEU 55 2.122 -9.801 -8.694 55 HD23 LEU 55 HD23 LEU 55 0.994 -8.758 -9.562 56 H ARG 56 H ARG 56 5.001 -11.718 -8.573 57 HA ARG 56 HA ARG 56 7.796 -12.244 -9.118 58 HB2 ARG 56 HB2 ARG 56 7.686 -11.104 -6.856 59 HB3 ARG 56 HB3 ARG 56 6.798 -12.509 -6.284 60 HG2 ARG 56 HG2 ARG 56 9.235 -13.272 -7.638 61 HG3 ARG 56 HG3 ARG 56 9.545 -12.169 -6.296 62 HD2 ARG 56 HD2 ARG 56 8.001 -14.757 -6.177 63 HD3 ARG 56 HD3 ARG 56 9.616 -14.470 -5.532 64 HE ARG 56 HE ARG 56 8.054 -12.608 -4.296 65 HH11 ARG 56 HH11 ARG 56 7.959 -16.074 -4.612 66 HH12 ARG 56 HH12 ARG 56 7.191 -16.323 -3.079 67 HH21 ARG 56 HH21 ARG 56 7.043 -12.923 -2.276 68 HH22 ARG 56 HH22 ARG 56 6.670 -14.530 -1.751 69 H CYS 57 H CYS 57 7.776 -14.174 -10.043 70 HA CYS 57 HA CYS 57 5.692 -15.964 -10.131 71 HB2 CYS 57 HB2 CYS 57 7.852 -15.924 -11.514 72 HB3 CYS 57 HB3 CYS 57 8.567 -16.864 -10.208 73 H GLN 58 H GLN 58 4.753 -17.212 -8.666 74 HA GLN 58 HA GLN 58 5.907 -17.572 -6.063 75 HB2 GLN 58 HB2 GLN 58 3.370 -18.645 -7.303 76 HB3 GLN 58 HB3 GLN 58 3.825 -18.889 -5.622 77 HG2 GLN 58 HG2 GLN 58 3.825 -16.446 -5.300 78 HG3 GLN 58 HG3 GLN 58 3.278 -16.252 -6.965 79 HE21 GLN 58 HE21 GLN 58 1.248 -15.595 -6.859 80 HE22 GLN 58 HE22 GLN 58 -0.004 -16.329 -5.922 81 H GLN 59 H GLN 59 6.576 -19.043 -8.876 82 HA GLN 59 HA GLN 59 7.090 -21.643 -7.588 83 HB2 GLN 59 HB2 GLN 59 6.409 -22.758 -9.432 84 HB3 GLN 59 HB3 GLN 59 5.519 -21.278 -9.762 85 HG2 GLN 59 HG2 GLN 59 6.530 -21.384 -11.750 86 HG3 GLN 59 HG3 GLN 59 7.906 -20.695 -10.890 87 HE21 GLN 59 HE21 GLN 59 9.737 -21.842 -10.729 88 HE22 GLN 59 HE22 GLN 59 9.944 -23.454 -11.313 89 H CYS 60 H CYS 60 8.390 -18.950 -9.304 90 HA CYS 60 HA CYS 60 10.990 -20.298 -9.562 91 HB2 CYS 60 HB2 CYS 60 9.705 -18.009 -11.000 92 HB3 CYS 60 HB3 CYS 60 11.462 -18.094 -10.920 93 H GLN 61 H GLN 61 9.292 -17.781 -7.919 94 HA GLN 61 HA GLN 61 9.871 -16.386 -6.218 95 HB2 GLN 61 HB2 GLN 61 12.453 -17.926 -6.002 96 HB3 GLN 61 HB3 GLN 61 11.617 -17.035 -4.737 97 HG2 GLN 61 HG2 GLN 61 9.802 -18.663 -4.782 98 HG3 GLN 61 HG3 GLN 61 10.631 -19.554 -6.057 99 HE21 GLN 61 HE21 GLN 61 11.674 -21.265 -5.369 100 HE22 GLN 61 HE22 GLN 61 12.409 -21.465 -3.818 101 H ALA 62 H ALA 62 10.515 -15.654 -8.895 102 HA ALA 62 HA ALA 62 12.637 -13.719 -8.331 103 HB1 ALA 62 HB1 ALA 62 13.654 -15.634 -9.545 104 HB2 ALA 62 HB2 ALA 62 12.564 -15.305 -10.892 105 HB3 ALA 62 HB3 ALA 62 13.763 -14.103 -10.414 106 H GLU 63 H GLU 63 12.770 -12.203 -10.421 107 HA GLU 63 HA GLU 63 10.304 -10.838 -10.524 108 HB2 GLU 63 HB2 GLU 63 12.876 -10.579 -12.060 109 HB3 GLU 63 HB3 GLU 63 11.481 -9.581 -12.448 110 HG2 GLU 63 HG2 GLU 63 11.517 -8.530 -10.344 111 HG3 GLU 63 HG3 GLU 63 12.628 -9.727 -9.679 112 H ALA 64 H ALA 64 8.619 -10.973 -11.872 113 HA ALA 64 HA ALA 64 8.783 -12.922 -14.064 114 HB1 ALA 64 HB1 ALA 64 7.086 -13.374 -12.367 115 HB2 ALA 64 HB2 ALA 64 6.352 -11.800 -12.676 116 HB3 ALA 64 HB3 ALA 64 6.349 -13.036 -13.934 117 H LYS 65 H LYS 65 9.212 -12.018 -15.968 118 HA LYS 65 HA LYS 65 8.810 -9.307 -16.604 119 HB2 LYS 65 HB2 LYS 65 9.249 -11.716 -18.373 120 HB3 LYS 65 HB3 LYS 65 9.232 -10.061 -18.967 121 HG2 LYS 65 HG2 LYS 65 11.206 -9.513 -17.856 122 HG3 LYS 65 HG3 LYS 65 11.088 -10.900 -16.771 123 HD2 LYS 65 HD2 LYS 65 11.403 -11.252 -19.736 124 HD3 LYS 65 HD3 LYS 65 12.800 -11.001 -18.685 125 HE2 LYS 65 HE2 LYS 65 12.067 -12.948 -17.334 126 HE3 LYS 65 HE3 LYS 65 10.770 -13.224 -18.496 127 HZ1 LYS 65 HZ1 LYS 65 12.318 -14.584 -19.385 128 HZ2 LYS 65 HZ2 LYS 65 13.628 -13.722 -18.750 129 HZ3 LYS 65 HZ3 LYS 65 12.837 -13.159 -20.136 130 H CYS 66 H CYS 66 7.029 -12.204 -17.673 131 HA CYS 66 HA CYS 66 4.647 -10.524 -17.997 132 HB2 CYS 66 HB2 CYS 66 6.010 -12.149 -20.077 133 HB3 CYS 66 HB3 CYS 66 4.252 -12.209 -20.047 134 HG CYS 66 HG CYS 66 4.578 -10.331 -21.900 135 HA PRO 67 HA PRO 67 3.867 -14.432 -15.585 136 HB2 PRO 67 HB2 PRO 67 2.612 -13.198 -13.519 137 HB3 PRO 67 HB3 PRO 67 4.365 -13.415 -13.586 138 HG2 PRO 67 HG2 PRO 67 2.729 -11.000 -14.257 139 HG3 PRO 67 HG3 PRO 67 4.252 -11.104 -13.355 140 HD2 PRO 67 HD2 PRO 67 4.148 -10.360 -15.956 141 HD3 PRO 67 HD3 PRO 67 5.524 -11.249 -15.272 142 H LYS 68 H LYS 68 1.880 -15.484 -15.292 143 HA LYS 68 HA LYS 68 -0.538 -14.046 -16.111 144 HB2 LYS 68 HB2 LYS 68 0.110 -16.769 -17.225 145 HB3 LYS 68 HB3 LYS 68 -1.165 -15.667 -17.727 146 HG2 LYS 68 HG2 LYS 68 1.771 -15.093 -18.050 147 HG3 LYS 68 HG3 LYS 68 0.758 -15.821 -19.300 148 HD2 LYS 68 HD2 LYS 68 -0.423 -13.879 -19.661 149 HD3 LYS 68 HD3 LYS 68 -0.116 -13.264 -18.035 150 HE2 LYS 68 HE2 LYS 68 2.040 -12.562 -18.579 151 HE3 LYS 68 HE3 LYS 68 2.120 -13.599 -20.002 152 HZ1 LYS 68 HZ1 LYS 68 0.072 -12.027 -20.645 153 HZ2 LYS 68 HZ2 LYS 68 1.675 -11.681 -21.058 154 HZ3 LYS 68 HZ3 LYS 68 0.975 -10.950 -19.703 155 H LEU 69 H LEU 69 -2.520 -15.117 -15.502 156 HA LEU 69 HA LEU 69 -2.205 -16.597 -13.015 157 HB2 LEU 69 HB2 LEU 69 -4.762 -15.636 -14.274 158 HB3 LEU 69 HB3 LEU 69 -4.496 -16.102 -12.595 159 HG LEU 69 HG LEU 69 -3.355 -13.655 -13.945 160 HD11 LEU 69 HD11 LEU 69 -5.492 -13.848 -11.831 161 HD12 LEU 69 HD12 LEU 69 -5.811 -13.608 -13.548 162 HD13 LEU 69 HD13 LEU 69 -4.913 -12.392 -12.640 163 HD21 LEU 69 HD21 LEU 69 -1.824 -14.320 -12.277 164 HD22 LEU 69 HD22 LEU 69 -3.114 -14.751 -11.154 165 HD23 LEU 69 HD23 LEU 69 -2.813 -13.057 -11.544 166 H LEU 70 H LEU 70 -1.738 -18.692 -13.516 167 HA LEU 70 HA LEU 70 -2.630 -20.237 -15.593 168 HB2 LEU 70 HB2 LEU 70 -1.856 -20.872 -12.781 169 HB3 LEU 70 HB3 LEU 70 -2.487 -22.152 -13.814 170 HG LEU 70 HG LEU 70 -0.064 -20.476 -14.461 171 HD11 LEU 70 HD11 LEU 70 0.553 -21.748 -12.584 172 HD12 LEU 70 HD12 LEU 70 1.132 -22.663 -13.976 173 HD13 LEU 70 HD13 LEU 70 -0.341 -23.162 -13.145 174 HD21 LEU 70 HD21 LEU 70 -1.204 -21.377 -16.419 175 HD22 LEU 70 HD22 LEU 70 -1.165 -22.992 -15.711 176 HD23 LEU 70 HD23 LEU 70 0.340 -22.188 -16.159 177 HA PRO 71 HA PRO 71 -6.891 -21.139 -15.072 178 HB2 PRO 71 HB2 PRO 71 -7.028 -23.769 -15.733 179 HB3 PRO 71 HB3 PRO 71 -6.739 -22.493 -16.922 180 HG2 PRO 71 HG2 PRO 71 -4.777 -24.318 -15.588 181 HG3 PRO 71 HG3 PRO 71 -4.864 -23.819 -17.287 182 HD2 PRO 71 HD2 PRO 71 -3.132 -22.705 -15.529 183 HD3 PRO 71 HD3 PRO 71 -3.844 -21.793 -16.876 184 H CYS 72 H CYS 72 -4.577 -22.557 -13.065 185 HA CYS 72 HA CYS 72 -6.600 -23.901 -11.415 186 HB2 CYS 72 HB2 CYS 72 -4.142 -24.788 -12.192 187 HB3 CYS 72 HB3 CYS 72 -3.769 -24.096 -10.617 188 H LEU 73 H LEU 73 -5.824 -20.920 -11.676 189 HA LEU 73 HA LEU 73 -5.874 -19.112 -10.295 190 HB2 LEU 73 HB2 LEU 73 -6.213 -20.969 -7.963 191 HB3 LEU 73 HB3 LEU 73 -6.766 -19.304 -8.130 192 HG LEU 73 HG LEU 73 -7.917 -21.751 -9.463 193 HD11 LEU 73 HD11 LEU 73 -9.975 -20.735 -8.223 194 HD12 LEU 73 HD12 LEU 73 -8.745 -19.968 -7.219 195 HD13 LEU 73 HD13 LEU 73 -8.809 -21.726 -7.344 196 HD21 LEU 73 HD21 LEU 73 -9.662 -19.943 -10.168 197 HD22 LEU 73 HD22 LEU 73 -8.201 -20.185 -11.127 198 HD23 LEU 73 HD23 LEU 73 -8.299 -18.838 -9.991 199 H HIS 74 H HIS 74 -3.410 -20.122 -11.002 200 HA HIS 74 HA HIS 74 -1.818 -19.662 -8.565 201 HB2 HIS 74 HB2 HIS 74 -1.064 -21.336 -10.970 202 HB3 HIS 74 HB3 HIS 74 -0.049 -21.048 -9.559 203 HD1 HIS 74 HD1 HIS 74 -2.922 -21.421 -7.816 204 HD2 HIS 74 HD2 HIS 74 -0.825 -24.114 -10.186 205 HE1 HIS 74 HE1 HIS 74 -3.626 -23.703 -7.027 206 H THR 75 H THR 75 0.352 -18.715 -9.002 207 HA THR 75 HA THR 75 0.202 -16.784 -11.225 208 HB THR 75 HB THR 75 1.685 -16.325 -8.638 209 HG1 THR 75 HG1 THR 75 -0.832 -15.183 -9.260 210 HG21 THR 75 HG21 THR 75 1.120 -13.892 -9.512 211 HG22 THR 75 HG22 THR 75 1.052 -14.721 -11.067 212 HG23 THR 75 HG23 THR 75 2.527 -14.774 -10.102 213 H LEU 76 H LEU 76 1.620 -17.255 -12.765 214 HA LEU 76 HA LEU 76 4.299 -18.181 -11.969 215 HB2 LEU 76 HB2 LEU 76 2.359 -19.397 -13.772 216 HB3 LEU 76 HB3 LEU 76 3.938 -19.159 -14.519 217 HG LEU 76 HG LEU 76 4.952 -20.431 -12.633 218 HD11 LEU 76 HD11 LEU 76 3.730 -20.705 -10.798 219 HD12 LEU 76 HD12 LEU 76 2.795 -21.904 -11.691 220 HD13 LEU 76 HD13 LEU 76 2.249 -20.228 -11.629 221 HD21 LEU 76 HD21 LEU 76 3.610 -21.353 -14.887 222 HD22 LEU 76 HD22 LEU 76 3.084 -22.420 -13.585 223 HD23 LEU 76 HD23 LEU 76 4.803 -22.231 -13.931 224 H CYS 77 H CYS 77 5.875 -17.919 -13.891 225 HA CYS 77 HA CYS 77 5.563 -15.175 -14.869 226 HB2 CYS 77 HB2 CYS 77 7.978 -15.210 -15.225 227 HB3 CYS 77 HB3 CYS 77 7.596 -15.700 -13.577 228 H SER 78 H SER 78 6.394 -14.683 -17.056 229 HA SER 78 HA SER 78 5.048 -16.031 -19.040 230 HB2 SER 78 HB2 SER 78 5.736 -14.167 -20.083 231 HB3 SER 78 HB3 SER 78 7.032 -13.927 -18.911 232 HG SER 78 HG SER 78 7.091 -15.127 -21.412 233 H GLY 79 H GLY 79 8.549 -16.265 -18.371 234 HA2 GLY 79 HA2 GLY 79 9.169 -18.243 -20.215 235 HA3 GLY 79 HA3 GLY 79 10.033 -17.985 -18.706 236 H CYS 80 H CYS 80 7.576 -18.539 -17.128 237 HA CYS 80 HA CYS 80 7.975 -21.345 -16.829 238 HB2 CYS 80 HB2 CYS 80 6.533 -19.217 -15.429 239 HB3 CYS 80 HB3 CYS 80 5.688 -20.761 -15.399 240 H LEU 81 H LEU 81 5.515 -19.344 -18.334 241 HA LEU 81 HA LEU 81 3.624 -21.425 -18.752 242 HB2 LEU 81 HB2 LEU 81 3.834 -18.629 -19.276 243 HB3 LEU 81 HB3 LEU 81 3.339 -19.448 -20.756 244 HG LEU 81 HG LEU 81 1.412 -20.396 -19.605 245 HD11 LEU 81 HD11 LEU 81 0.903 -19.399 -17.301 246 HD12 LEU 81 HD12 LEU 81 2.628 -19.040 -17.224 247 HD13 LEU 81 HD13 LEU 81 2.081 -20.708 -17.393 248 HD21 LEU 81 HD21 LEU 81 0.423 -18.039 -18.884 249 HD22 LEU 81 HD22 LEU 81 0.704 -18.464 -20.573 250 HD23 LEU 81 HD23 LEU 81 1.876 -17.468 -19.707 251 H GLU 82 H GLU 82 6.231 -20.054 -20.702 252 HA GLU 82 HA GLU 82 5.634 -21.694 -22.987 253 HB2 GLU 82 HB2 GLU 82 6.867 -19.370 -22.836 254 HB3 GLU 82 HB3 GLU 82 8.290 -20.376 -22.600 255 HG2 GLU 82 HG2 GLU 82 6.548 -21.106 -24.862 256 HG3 GLU 82 HG3 GLU 82 7.411 -19.575 -25.001 257 H ALA 83 H ALA 83 8.162 -21.655 -20.490 258 HA ALA 83 HA ALA 83 9.477 -23.991 -21.440 259 HB1 ALA 83 HB1 ALA 83 10.782 -23.882 -19.437 260 HB2 ALA 83 HB2 ALA 83 10.539 -22.237 -20.025 261 HB3 ALA 83 HB3 ALA 83 9.594 -22.834 -18.661 262 H SER 84 H SER 84 7.378 -23.437 -18.609 263 HA SER 84 HA SER 84 7.124 -26.281 -18.156 264 HB2 SER 84 HB2 SER 84 6.895 -24.002 -16.553 265 HB3 SER 84 HB3 SER 84 5.256 -24.644 -16.654 266 HG SER 84 HG SER 84 7.571 -26.111 -15.909 267 H GLY 85 H GLY 85 5.959 -24.647 -20.546 268 HA2 GLY 85 HA2 GLY 85 3.987 -24.560 -21.757 269 HA3 GLY 85 HA3 GLY 85 3.965 -26.272 -21.363 270 H MET 86 H MET 86 3.476 -23.409 -19.312 271 HA MET 86 HA MET 86 1.746 -22.772 -17.981 272 HB2 MET 86 HB2 MET 86 -0.158 -24.501 -19.511 273 HB3 MET 86 HB3 MET 86 -0.408 -22.898 -18.831 274 HG2 MET 86 HG2 MET 86 1.280 -22.108 -20.593 275 HG3 MET 86 HG3 MET 86 0.989 -23.667 -21.362 276 HE1 MET 86 HE1 MET 86 -1.823 -20.086 -21.081 277 HE2 MET 86 HE2 MET 86 -0.577 -20.508 -19.906 278 HE3 MET 86 HE3 MET 86 -0.120 -20.008 -21.535 279 H GLN 87 H GLN 87 3.293 -25.055 -17.258 280 HA GLN 87 HA GLN 87 1.750 -27.226 -16.375 281 HB2 GLN 87 HB2 GLN 87 4.454 -26.421 -16.236 282 HB3 GLN 87 HB3 GLN 87 3.943 -26.742 -14.584 283 HG2 GLN 87 HG2 GLN 87 4.699 -28.801 -15.236 284 HG3 GLN 87 HG3 GLN 87 2.978 -28.933 -15.595 285 HE21 GLN 87 HE21 GLN 87 2.300 -29.059 -17.702 286 HE22 GLN 87 HE22 GLN 87 3.383 -29.281 -19.030 287 H CYS 88 H CYS 88 2.257 -27.549 -13.690 288 HA CYS 88 HA CYS 88 0.939 -25.291 -12.361 289 HB2 CYS 88 HB2 CYS 88 -0.322 -27.765 -12.997 290 HB3 CYS 88 HB3 CYS 88 -0.098 -27.708 -11.252 291 HA PRO 89 HA PRO 89 4.556 -27.011 -9.986 292 HB2 PRO 89 HB2 PRO 89 5.736 -24.603 -9.567 293 HB3 PRO 89 HB3 PRO 89 6.031 -25.579 -11.011 294 HG2 PRO 89 HG2 PRO 89 4.207 -23.233 -10.651 295 HG3 PRO 89 HG3 PRO 89 5.297 -23.605 -11.998 296 HD2 PRO 89 HD2 PRO 89 2.633 -24.077 -12.106 297 HD3 PRO 89 HD3 PRO 89 3.819 -25.097 -12.947 298 H ILE 90 H ILE 90 2.667 -24.051 -9.434 299 HA ILE 90 HA ILE 90 3.076 -23.907 -6.653 300 HB ILE 90 HB ILE 90 0.602 -22.942 -8.077 301 HG12 ILE 90 HG12 ILE 90 2.466 -22.150 -9.379 302 HG13 ILE 90 HG13 ILE 90 1.872 -20.807 -8.407 303 HG21 ILE 90 HG21 ILE 90 0.102 -21.962 -6.149 304 HG22 ILE 90 HG22 ILE 90 1.467 -22.801 -5.412 305 HG23 ILE 90 HG23 ILE 90 1.685 -21.186 -6.086 306 HD11 ILE 90 HD11 ILE 90 4.358 -22.434 -8.003 307 HD12 ILE 90 HD12 ILE 90 4.212 -20.702 -8.301 308 HD13 ILE 90 HD13 ILE 90 3.697 -21.378 -6.755 309 H CYS 91 H CYS 91 1.246 -26.071 -8.521 310 HA CYS 91 HA CYS 91 -0.808 -26.646 -6.620 311 HB2 CYS 91 HB2 CYS 91 -0.109 -27.469 -9.275 312 HB3 CYS 91 HB3 CYS 91 -0.378 -28.900 -8.285 313 H GLN 92 H GLN 92 2.454 -27.195 -6.556 314 HA GLN 92 HA GLN 92 2.737 -29.813 -5.648 315 HB2 GLN 92 HB2 GLN 92 4.304 -27.301 -5.123 316 HB3 GLN 92 HB3 GLN 92 4.762 -28.832 -4.389 317 HG2 GLN 92 HG2 GLN 92 5.295 -29.798 -6.434 318 HG3 GLN 92 HG3 GLN 92 4.376 -28.601 -7.345 319 HE21 GLN 92 HE21 GLN 92 7.020 -28.620 -4.972 320 HE22 GLN 92 HE22 GLN 92 8.028 -27.515 -5.835 321 H ALA 93 H ALA 93 1.711 -26.914 -3.969 322 HA ALA 93 HA ALA 93 0.956 -28.575 -1.675 323 HB1 ALA 93 HB1 ALA 93 1.769 -26.898 -0.098 324 HB2 ALA 93 HB2 ALA 93 3.084 -27.538 -1.084 325 HB3 ALA 93 HB3 ALA 93 2.413 -25.945 -1.435 326 HA PRO 94 HA PRO 94 -2.862 -26.412 -1.987 327 HB2 PRO 94 HB2 PRO 94 -3.771 -26.722 0.552 328 HB3 PRO 94 HB3 PRO 94 -3.732 -28.043 -0.623 329 HG2 PRO 94 HG2 PRO 94 -1.807 -27.410 1.581 330 HG3 PRO 94 HG3 PRO 94 -2.462 -28.981 1.085 331 HD2 PRO 94 HD2 PRO 94 0.011 -28.143 0.369 332 HD3 PRO 94 HD3 PRO 94 -0.981 -29.186 -0.669 333 H TRP 95 H TRP 95 -1.352 -24.415 -2.170 334 HA TRP 95 HA TRP 95 -1.032 -22.762 0.129 335 HB2 TRP 95 HB2 TRP 95 -0.045 -21.212 -1.298 336 HB3 TRP 95 HB3 TRP 95 0.253 -22.731 -2.138 337 HD1 TRP 95 HD1 TRP 95 -1.930 -23.287 -4.000 338 HE1 TRP 95 HE1 TRP 95 -2.828 -21.641 -5.764 339 HE3 TRP 95 HE3 TRP 95 -0.286 -18.909 -1.936 340 HZ2 TRP 95 HZ2 TRP 95 -2.837 -18.856 -6.220 341 HZ3 TRP 95 HZ3 TRP 95 -0.781 -16.797 -3.099 342 HH2 TRP 95 HH2 TRP 95 -2.029 -16.774 -5.197 343 HA PRO 96 HA PRO 96 -4.924 -20.757 0.425 344 HB2 PRO 96 HB2 PRO 96 -4.187 -18.259 1.190 345 HB3 PRO 96 HB3 PRO 96 -4.091 -19.660 2.263 346 HG2 PRO 96 HG2 PRO 96 -1.928 -18.347 0.662 347 HG3 PRO 96 HG3 PRO 96 -1.879 -18.943 2.332 348 HD2 PRO 96 HD2 PRO 96 -0.850 -20.343 0.255 349 HD3 PRO 96 HD3 PRO 96 -1.567 -21.130 1.675 350 H LEU 97 H LEU 97 -6.090 -20.339 -1.347 351 HA LEU 97 HA LEU 97 -5.054 -18.678 -3.476 352 HB2 LEU 97 HB2 LEU 97 -7.749 -19.996 -3.180 353 HB3 LEU 97 HB3 LEU 97 -7.113 -19.251 -4.646 354 HG LEU 97 HG LEU 97 -5.200 -21.058 -4.276 355 HD11 LEU 97 HD11 LEU 97 -7.049 -21.760 -2.285 356 HD12 LEU 97 HD12 LEU 97 -5.637 -22.671 -2.821 357 HD13 LEU 97 HD13 LEU 97 -7.210 -22.969 -3.560 358 HD21 LEU 97 HD21 LEU 97 -6.104 -22.170 -6.054 359 HD22 LEU 97 HD22 LEU 97 -7.047 -20.681 -6.122 360 HD23 LEU 97 HD23 LEU 97 -7.739 -22.131 -5.393 361 H GLY 98 H GLY 98 -7.134 -17.315 -4.471 362 HA2 GLY 98 HA2 GLY 98 -8.876 -15.758 -3.831 363 HA3 GLY 98 HA3 GLY 98 -8.079 -15.588 -2.274 364 H ALA 99 H ALA 99 -5.429 -15.505 -3.741 365 HA ALA 99 HA ALA 99 -5.639 -12.728 -4.713 366 HB1 ALA 99 HB1 ALA 99 -3.123 -12.752 -3.844 367 HB2 ALA 99 HB2 ALA 99 -4.481 -12.334 -2.800 368 HB3 ALA 99 HB3 ALA 99 -3.796 -13.958 -2.746 369 H ASP 100 H ASP 100 -5.508 -12.957 -6.875 370 HA ASP 100 HA ASP 100 -3.007 -13.865 -7.992 371 HB2 ASP 100 HB2 ASP 100 -4.358 -15.316 -9.690 372 HB3 ASP 100 HB3 ASP 100 -3.932 -15.992 -8.120 373 H THR 101 H THR 101 -2.609 -11.966 -8.979 374 HA THR 101 HA THR 101 -4.430 -11.177 -11.132 375 HB THR 101 HB THR 101 -3.506 -8.734 -10.212 376 HG1 THR 101 HG1 THR 101 -3.512 -8.757 -8.077 377 HG21 THR 101 HG21 THR 101 -5.656 -8.443 -10.748 378 HG22 THR 101 HG22 THR 101 -6.053 -9.019 -9.128 379 HG23 THR 101 HG23 THR 101 -6.020 -10.147 -10.483 380 HA PRO 102 HA PRO 102 -0.782 -10.618 -13.509 381 HB2 PRO 102 HB2 PRO 102 -1.487 -8.556 -15.127 382 HB3 PRO 102 HB3 PRO 102 -2.148 -10.185 -15.305 383 HG2 PRO 102 HG2 PRO 102 -3.351 -7.787 -13.978 384 HG3 PRO 102 HG3 PRO 102 -4.117 -8.974 -15.049 385 HD2 PRO 102 HD2 PRO 102 -4.390 -9.052 -12.356 386 HD3 PRO 102 HD3 PRO 102 -4.379 -10.518 -13.358 387 H ALA 103 H ALA 103 0.659 -8.721 -14.410 388 HA ALA 103 HA ALA 103 1.431 -7.148 -12.086 389 HB1 ALA 103 HB1 ALA 103 2.811 -7.564 -14.735 390 HB2 ALA 103 HB2 ALA 103 3.474 -6.664 -13.370 391 HB3 ALA 103 HB3 ALA 103 3.170 -8.395 -13.221 392 H LEU 104 H LEU 104 1.807 -4.888 -12.168 393 HA LEU 104 HA LEU 104 -0.194 -3.343 -13.258 394 HB2 LEU 104 HB2 LEU 104 2.583 -2.686 -12.346 395 HB3 LEU 104 HB3 LEU 104 1.526 -1.434 -12.996 396 HG LEU 104 HG LEU 104 -0.139 -2.223 -11.180 397 HD11 LEU 104 HD11 LEU 104 2.215 -3.824 -10.582 398 HD12 LEU 104 HD12 LEU 104 0.555 -3.990 -10.012 399 HD13 LEU 104 HD13 LEU 104 1.657 -2.876 -9.203 400 HD21 LEU 104 HD21 LEU 104 0.627 -0.081 -10.884 401 HD22 LEU 104 HD22 LEU 104 2.321 -0.572 -10.855 402 HD23 LEU 104 HD23 LEU 104 1.293 -0.865 -9.451 Start of MODEL 2 1 H1 GLU 49 H GLU 49 2.512 7.354 -0.336 2 HA GLU 49 HA GLU 49 5.340 6.810 -0.006 3 HB2 GLU 49 HB2 GLU 49 3.214 4.821 0.792 4 HB3 GLU 49 HB3 GLU 49 4.885 4.378 0.478 5 HG2 GLU 49 HG2 GLU 49 5.462 6.149 2.253 6 HG3 GLU 49 HG3 GLU 49 3.764 6.024 2.707 7 H GLU 50 H GLU 50 6.075 5.063 -1.497 8 HA GLU 50 HA GLU 50 4.459 5.123 -3.955 9 HB2 GLU 50 HB2 GLU 50 6.514 4.852 -5.195 10 HB3 GLU 50 HB3 GLU 50 6.691 6.199 -4.078 11 HG2 GLU 50 HG2 GLU 50 7.747 4.430 -2.506 12 HG3 GLU 50 HG3 GLU 50 7.946 3.494 -3.986 13 H GLU 51 H GLU 51 4.616 3.212 -5.366 14 HA GLU 51 HA GLU 51 5.368 0.712 -4.099 15 HB2 GLU 51 HB2 GLU 51 2.530 1.505 -4.639 16 HB3 GLU 51 HB3 GLU 51 3.003 -0.182 -4.776 17 HG2 GLU 51 HG2 GLU 51 3.941 0.046 -2.429 18 HG3 GLU 51 HG3 GLU 51 3.066 1.575 -2.347 19 H PHE 52 H PHE 52 6.075 -0.733 -5.554 20 HA PHE 52 HA PHE 52 6.150 0.033 -8.328 21 HB2 PHE 52 HB2 PHE 52 7.492 -2.064 -8.588 22 HB3 PHE 52 HB3 PHE 52 8.138 -0.947 -7.390 23 HD1 PHE 52 HD2 PHE 52 6.233 -4.079 -7.829 24 HD2 PHE 52 HD1 PHE 52 8.388 -1.583 -5.138 25 HE1 PHE 52 HE2 PHE 52 6.215 -5.879 -6.152 26 HE2 PHE 52 HE1 PHE 52 8.374 -3.380 -3.456 27 HZ PHE 52 HZ PHE 52 7.288 -5.531 -3.961 28 H GLN 53 H GLN 53 5.366 -1.198 -10.085 29 HA GLN 53 HA GLN 53 3.006 -2.811 -9.402 30 HB2 GLN 53 HB2 GLN 53 2.336 -2.334 -11.793 31 HB3 GLN 53 HB3 GLN 53 2.374 -0.940 -10.720 32 HG2 GLN 53 HG2 GLN 53 4.793 -1.572 -12.329 33 HG3 GLN 53 HG3 GLN 53 3.404 -0.837 -13.128 34 HE21 GLN 53 HE21 GLN 53 6.088 0.222 -12.608 35 HE22 GLN 53 HE22 GLN 53 5.852 1.688 -11.724 36 H PHE 54 H PHE 54 4.732 -4.520 -9.006 37 HA PHE 54 HA PHE 54 4.965 -6.120 -11.439 38 HB2 PHE 54 HB2 PHE 54 7.224 -5.067 -9.827 39 HB3 PHE 54 HB3 PHE 54 7.341 -6.746 -10.344 40 HD1 PHE 54 HD2 PHE 54 7.476 -7.314 -12.709 41 HD2 PHE 54 HD1 PHE 54 7.351 -3.265 -11.402 42 HE1 PHE 54 HE2 PHE 54 8.255 -6.577 -14.925 43 HE2 PHE 54 HE1 PHE 54 8.129 -2.523 -13.615 44 HZ PHE 54 HZ PHE 54 8.583 -4.180 -15.379 45 H LEU 55 H LEU 55 5.280 -8.390 -11.036 46 HA LEU 55 HA LEU 55 4.323 -9.186 -8.369 47 HB2 LEU 55 HB2 LEU 55 4.132 -10.851 -10.859 48 HB3 LEU 55 HB3 LEU 55 3.243 -11.035 -9.349 49 HG LEU 55 HG LEU 55 2.863 -8.652 -11.142 50 HD11 LEU 55 HD11 LEU 55 2.167 -10.191 -12.656 51 HD12 LEU 55 HD12 LEU 55 0.697 -10.092 -11.687 52 HD13 LEU 55 HD13 LEU 55 1.835 -11.415 -11.430 53 HD21 LEU 55 HD21 LEU 55 1.339 -8.021 -9.650 54 HD22 LEU 55 HD22 LEU 55 1.977 -9.272 -8.582 55 HD23 LEU 55 HD23 LEU 55 0.600 -9.623 -9.627 56 H ARG 56 H ARG 56 4.839 -11.858 -8.410 57 HA ARG 56 HA ARG 56 7.640 -12.273 -9.054 58 HB2 ARG 56 HB2 ARG 56 7.557 -11.192 -6.776 59 HB3 ARG 56 HB3 ARG 56 6.688 -12.613 -6.210 60 HG2 ARG 56 HG2 ARG 56 9.106 -13.354 -7.600 61 HG3 ARG 56 HG3 ARG 56 9.436 -12.243 -6.269 62 HD2 ARG 56 HD2 ARG 56 7.918 -14.843 -6.110 63 HD3 ARG 56 HD3 ARG 56 9.539 -14.534 -5.489 64 HE ARG 56 HE ARG 56 7.931 -12.683 -4.262 65 HH11 ARG 56 HH11 ARG 56 8.032 -16.155 -4.484 66 HH12 ARG 56 HH12 ARG 56 7.327 -16.406 -2.921 67 HH21 ARG 56 HH21 ARG 56 7.002 -12.999 -2.203 68 HH22 ARG 56 HH22 ARG 56 6.740 -14.610 -1.625 69 H CYS 57 H CYS 57 7.713 -14.194 -9.995 70 HA CYS 57 HA CYS 57 5.695 -16.061 -10.110 71 HB2 CYS 57 HB2 CYS 57 7.828 -15.916 -11.515 72 HB3 CYS 57 HB3 CYS 57 8.609 -16.826 -10.225 73 H GLN 58 H GLN 58 4.801 -17.333 -8.640 74 HA GLN 58 HA GLN 58 6.003 -17.715 -6.064 75 HB2 GLN 58 HB2 GLN 58 3.487 -18.873 -7.272 76 HB3 GLN 58 HB3 GLN 58 3.966 -19.058 -5.590 77 HG2 GLN 58 HG2 GLN 58 3.646 -16.344 -6.807 78 HG3 GLN 58 HG3 GLN 58 2.256 -17.243 -6.204 79 HE21 GLN 58 HE21 GLN 58 3.085 -18.394 -3.966 80 HE22 GLN 58 HE22 GLN 58 3.610 -17.226 -2.807 81 H GLN 59 H GLN 59 6.658 -19.122 -8.916 82 HA GLN 59 HA GLN 59 7.253 -21.733 -7.685 83 HB2 GLN 59 HB2 GLN 59 6.608 -22.824 -9.561 84 HB3 GLN 59 HB3 GLN 59 5.654 -21.372 -9.828 85 HG2 GLN 59 HG2 GLN 59 6.640 -21.303 -11.820 86 HG3 GLN 59 HG3 GLN 59 8.049 -20.697 -10.950 87 HE21 GLN 59 HE21 GLN 59 9.847 -21.926 -10.826 88 HE22 GLN 59 HE22 GLN 59 10.013 -23.484 -11.552 89 H CYS 60 H CYS 60 8.494 -18.950 -9.261 90 HA CYS 60 HA CYS 60 11.127 -20.234 -9.556 91 HB2 CYS 60 HB2 CYS 60 9.794 -17.975 -11.009 92 HB3 CYS 60 HB3 CYS 60 11.552 -18.051 -10.942 93 H GLN 61 H GLN 61 9.335 -17.934 -7.791 94 HA GLN 61 HA GLN 61 9.859 -16.443 -6.155 95 HB2 GLN 61 HB2 GLN 61 12.477 -17.914 -5.894 96 HB3 GLN 61 HB3 GLN 61 11.585 -17.056 -4.643 97 HG2 GLN 61 HG2 GLN 61 9.801 -18.747 -4.796 98 HG3 GLN 61 HG3 GLN 61 10.766 -19.624 -5.981 99 HE21 GLN 61 HE21 GLN 61 11.942 -21.214 -5.206 100 HE22 GLN 61 HE22 GLN 61 12.523 -21.361 -3.586 101 H ALA 62 H ALA 62 10.508 -15.677 -8.809 102 HA ALA 62 HA ALA 62 12.594 -13.710 -8.223 103 HB1 ALA 62 HB1 ALA 62 13.721 -14.056 -10.322 104 HB2 ALA 62 HB2 ALA 62 13.670 -15.580 -9.435 105 HB3 ALA 62 HB3 ALA 62 12.563 -15.306 -10.780 106 H GLU 63 H GLU 63 12.710 -12.167 -10.282 107 HA GLU 63 HA GLU 63 10.193 -10.882 -10.412 108 HB2 GLU 63 HB2 GLU 63 12.804 -10.476 -11.849 109 HB3 GLU 63 HB3 GLU 63 11.385 -9.519 -12.251 110 HG2 GLU 63 HG2 GLU 63 11.276 -8.644 -10.018 111 HG3 GLU 63 HG3 GLU 63 12.586 -9.703 -9.499 112 H ALA 64 H ALA 64 8.550 -11.092 -11.793 113 HA ALA 64 HA ALA 64 8.907 -12.896 -14.088 114 HB1 ALA 64 HB1 ALA 64 6.633 -13.468 -13.931 115 HB2 ALA 64 HB2 ALA 64 7.217 -13.435 -12.266 116 HB3 ALA 64 HB3 ALA 64 6.271 -12.086 -12.895 117 H LYS 65 H LYS 65 9.214 -11.858 -15.942 118 HA LYS 65 HA LYS 65 8.573 -9.151 -16.399 119 HB2 LYS 65 HB2 LYS 65 9.498 -11.430 -18.089 120 HB3 LYS 65 HB3 LYS 65 8.867 -10.002 -18.898 121 HG2 LYS 65 HG2 LYS 65 10.603 -8.674 -18.211 122 HG3 LYS 65 HG3 LYS 65 10.931 -9.657 -16.781 123 HD2 LYS 65 HD2 LYS 65 11.404 -10.668 -19.574 124 HD3 LYS 65 HD3 LYS 65 12.630 -9.771 -18.674 125 HE2 LYS 65 HE2 LYS 65 11.288 -12.242 -17.603 126 HE3 LYS 65 HE3 LYS 65 12.773 -12.294 -18.549 127 HZ1 LYS 65 HZ1 LYS 65 12.654 -12.033 -15.869 128 HZ2 LYS 65 HZ2 LYS 65 12.844 -10.424 -16.357 129 HZ3 LYS 65 HZ3 LYS 65 13.979 -11.589 -16.824 130 H CYS 66 H CYS 66 7.177 -12.021 -18.002 131 HA CYS 66 HA CYS 66 4.637 -10.542 -18.201 132 HB2 CYS 66 HB2 CYS 66 6.146 -12.123 -20.209 133 HB3 CYS 66 HB3 CYS 66 4.396 -12.303 -20.216 134 HG CYS 66 HG CYS 66 5.401 -10.399 -22.146 135 HA PRO 67 HA PRO 67 3.999 -14.418 -15.706 136 HB2 PRO 67 HB2 PRO 67 2.584 -13.204 -13.732 137 HB3 PRO 67 HB3 PRO 67 4.349 -13.309 -13.725 138 HG2 PRO 67 HG2 PRO 67 2.591 -11.027 -14.539 139 HG3 PRO 67 HG3 PRO 67 4.079 -11.004 -13.576 140 HD2 PRO 67 HD2 PRO 67 4.035 -10.350 -16.203 141 HD3 PRO 67 HD3 PRO 67 5.435 -11.126 -15.437 142 H LYS 68 H LYS 68 2.108 -15.617 -15.549 143 HA LYS 68 HA LYS 68 -0.324 -14.368 -16.647 144 HB2 LYS 68 HB2 LYS 68 0.585 -17.199 -17.187 145 HB3 LYS 68 HB3 LYS 68 -0.818 -16.393 -17.875 146 HG2 LYS 68 HG2 LYS 68 1.218 -14.716 -18.590 147 HG3 LYS 68 HG3 LYS 68 1.983 -16.304 -18.681 148 HD2 LYS 68 HD2 LYS 68 1.067 -15.912 -20.820 149 HD3 LYS 68 HD3 LYS 68 -0.037 -17.039 -20.029 150 HE2 LYS 68 HE2 LYS 68 -1.666 -15.417 -19.717 151 HE3 LYS 68 HE3 LYS 68 -0.515 -14.091 -19.862 152 HZ1 LYS 68 HZ1 LYS 68 -0.842 -15.779 -22.208 153 HZ2 LYS 68 HZ2 LYS 68 -0.645 -14.103 -22.099 154 HZ3 LYS 68 HZ3 LYS 68 -2.160 -14.796 -21.810 155 H LEU 69 H LEU 69 -2.331 -15.356 -15.990 156 HA LEU 69 HA LEU 69 -2.155 -16.440 -13.279 157 HB2 LEU 69 HB2 LEU 69 -4.035 -14.751 -14.737 158 HB3 LEU 69 HB3 LEU 69 -4.821 -16.017 -13.795 159 HG LEU 69 HG LEU 69 -2.945 -13.910 -12.724 160 HD11 LEU 69 HD11 LEU 69 -4.835 -12.891 -11.750 161 HD12 LEU 69 HD12 LEU 69 -5.877 -14.253 -12.159 162 HD13 LEU 69 HD13 LEU 69 -5.267 -13.197 -13.433 163 HD21 LEU 69 HD21 LEU 69 -2.605 -15.366 -11.070 164 HD22 LEU 69 HD22 LEU 69 -3.876 -16.446 -11.647 165 HD23 LEU 69 HD23 LEU 69 -4.283 -15.074 -10.614 166 H LEU 70 H LEU 70 -1.766 -18.606 -13.575 167 HA LEU 70 HA LEU 70 -2.793 -20.316 -15.459 168 HB2 LEU 70 HB2 LEU 70 -1.938 -20.686 -12.624 169 HB3 LEU 70 HB3 LEU 70 -2.667 -22.037 -13.489 170 HG LEU 70 HG LEU 70 -0.199 -20.561 -14.399 171 HD11 LEU 70 HD11 LEU 70 -0.565 -23.017 -12.726 172 HD12 LEU 70 HD12 LEU 70 0.508 -21.642 -12.468 173 HD13 LEU 70 HD13 LEU 70 0.863 -22.811 -13.740 174 HD21 LEU 70 HD21 LEU 70 -1.447 -23.146 -15.327 175 HD22 LEU 70 HD22 LEU 70 0.059 -22.446 -15.923 176 HD23 LEU 70 HD23 LEU 70 -1.472 -21.614 -16.201 177 HA PRO 71 HA PRO 71 -7.062 -20.976 -14.699 178 HB2 PRO 71 HB2 PRO 71 -7.327 -23.659 -15.024 179 HB3 PRO 71 HB3 PRO 71 -7.029 -22.553 -16.370 180 HG2 PRO 71 HG2 PRO 71 -5.097 -24.285 -14.878 181 HG3 PRO 71 HG3 PRO 71 -5.223 -23.995 -16.623 182 HD2 PRO 71 HD2 PRO 71 -3.387 -22.752 -15.070 183 HD3 PRO 71 HD3 PRO 71 -4.109 -21.982 -16.498 184 H CYS 72 H CYS 72 -4.738 -22.234 -12.600 185 HA CYS 72 HA CYS 72 -6.758 -23.268 -10.735 186 HB2 CYS 72 HB2 CYS 72 -3.765 -23.622 -10.884 187 HB3 CYS 72 HB3 CYS 72 -4.708 -24.109 -9.479 188 H LEU 73 H LEU 73 -5.807 -20.385 -11.397 189 HA LEU 73 HA LEU 73 -5.725 -18.421 -10.249 190 HB2 LEU 73 HB2 LEU 73 -6.093 -19.963 -7.701 191 HB3 LEU 73 HB3 LEU 73 -6.545 -18.295 -8.047 192 HG LEU 73 HG LEU 73 -7.924 -20.828 -8.882 193 HD11 LEU 73 HD11 LEU 73 -8.468 -18.530 -7.114 194 HD12 LEU 73 HD12 LEU 73 -8.971 -20.215 -6.981 195 HD13 LEU 73 HD13 LEU 73 -9.828 -19.123 -8.069 196 HD21 LEU 73 HD21 LEU 73 -7.919 -18.175 -10.226 197 HD22 LEU 73 HD22 LEU 73 -9.450 -19.038 -10.084 198 HD23 LEU 73 HD23 LEU 73 -8.085 -19.791 -10.911 199 H HIS 74 H HIS 74 -3.358 -19.962 -10.775 200 HA HIS 74 HA HIS 74 -1.662 -19.353 -8.459 201 HB2 HIS 74 HB2 HIS 74 -0.995 -20.957 -10.936 202 HB3 HIS 74 HB3 HIS 74 0.017 -20.781 -9.505 203 HD1 HIS 74 HD1 HIS 74 -2.814 -21.135 -7.743 204 HD2 HIS 74 HD2 HIS 74 -0.942 -23.771 -10.353 205 HE1 HIS 74 HE1 HIS 74 -3.632 -23.423 -7.090 206 H THR 75 H THR 75 0.536 -18.479 -8.970 207 HA THR 75 HA THR 75 0.372 -16.497 -11.149 208 HB THR 75 HB THR 75 1.759 -16.150 -8.484 209 HG1 THR 75 HG1 THR 75 -0.777 -15.432 -9.448 210 HG21 THR 75 HG21 THR 75 2.798 -14.394 -9.376 211 HG22 THR 75 HG22 THR 75 1.263 -13.725 -9.927 212 HG23 THR 75 HG23 THR 75 2.155 -14.849 -10.953 213 H LEU 76 H LEU 76 1.682 -17.186 -12.722 214 HA LEU 76 HA LEU 76 4.379 -18.106 -11.970 215 HB2 LEU 76 HB2 LEU 76 2.374 -19.283 -13.700 216 HB3 LEU 76 HB3 LEU 76 3.899 -19.026 -14.545 217 HG LEU 76 HG LEU 76 5.035 -20.320 -12.736 218 HD11 LEU 76 HD11 LEU 76 2.944 -21.836 -11.719 219 HD12 LEU 76 HD12 LEU 76 2.386 -20.169 -11.590 220 HD13 LEU 76 HD13 LEU 76 3.912 -20.648 -10.847 221 HD21 LEU 76 HD21 LEU 76 2.997 -22.181 -13.763 222 HD22 LEU 76 HD22 LEU 76 4.755 -22.228 -13.901 223 HD23 LEU 76 HD23 LEU 76 3.813 -21.195 -14.977 224 H CYS 77 H CYS 77 5.943 -17.863 -13.895 225 HA CYS 77 HA CYS 77 5.674 -15.113 -14.873 226 HB2 CYS 77 HB2 CYS 77 8.093 -15.186 -15.225 227 HB3 CYS 77 HB3 CYS 77 7.694 -15.646 -13.573 228 H SER 78 H SER 78 6.522 -14.639 -17.058 229 HA SER 78 HA SER 78 5.171 -16.001 -19.039 230 HB2 SER 78 HB2 SER 78 5.851 -14.160 -20.122 231 HB3 SER 78 HB3 SER 78 7.093 -13.858 -18.909 232 HG SER 78 HG SER 78 7.891 -14.201 -21.083 233 H GLY 79 H GLY 79 8.667 -16.212 -18.341 234 HA2 GLY 79 HA2 GLY 79 9.341 -18.161 -20.185 235 HA3 GLY 79 HA3 GLY 79 10.156 -17.934 -18.645 236 H CYS 80 H CYS 80 7.678 -18.525 -17.137 237 HA CYS 80 HA CYS 80 8.048 -21.352 -16.941 238 HB2 CYS 80 HB2 CYS 80 6.614 -19.259 -15.456 239 HB3 CYS 80 HB3 CYS 80 5.817 -20.829 -15.440 240 H LEU 81 H LEU 81 5.647 -19.244 -18.377 241 HA LEU 81 HA LEU 81 3.653 -21.206 -18.812 242 HB2 LEU 81 HB2 LEU 81 4.143 -18.439 -19.552 243 HB3 LEU 81 HB3 LEU 81 3.355 -19.349 -20.840 244 HG LEU 81 HG LEU 81 1.756 -18.152 -19.407 245 HD11 LEU 81 HD11 LEU 81 0.372 -20.206 -18.800 246 HD12 LEU 81 HD12 LEU 81 1.712 -21.153 -19.445 247 HD13 LEU 81 HD13 LEU 81 0.851 -20.021 -20.488 248 HD21 LEU 81 HD21 LEU 81 2.915 -19.911 -17.253 249 HD22 LEU 81 HD22 LEU 81 1.375 -19.062 -17.104 250 HD23 LEU 81 HD23 LEU 81 2.871 -18.147 -17.301 251 H GLU 82 H GLU 82 6.303 -19.978 -20.820 252 HA GLU 82 HA GLU 82 5.639 -21.685 -23.036 253 HB2 GLU 82 HB2 GLU 82 6.963 -19.380 -22.931 254 HB3 GLU 82 HB3 GLU 82 8.341 -20.460 -22.777 255 HG2 GLU 82 HG2 GLU 82 7.326 -21.633 -24.856 256 HG3 GLU 82 HG3 GLU 82 6.456 -20.113 -25.063 257 H ALA 83 H ALA 83 8.255 -21.593 -20.626 258 HA ALA 83 HA ALA 83 9.537 -23.952 -21.487 259 HB1 ALA 83 HB1 ALA 83 10.772 -23.854 -19.435 260 HB2 ALA 83 HB2 ALA 83 10.562 -22.210 -20.038 261 HB3 ALA 83 HB3 ALA 83 9.565 -22.794 -18.706 262 H SER 84 H SER 84 7.344 -23.405 -18.728 263 HA SER 84 HA SER 84 7.077 -26.251 -18.290 264 HB2 SER 84 HB2 SER 84 5.249 -24.369 -16.906 265 HB3 SER 84 HB3 SER 84 6.191 -25.711 -16.257 266 HG SER 84 HG SER 84 8.024 -24.401 -16.324 267 H GLY 85 H GLY 85 5.989 -24.605 -20.710 268 HA2 GLY 85 HA2 GLY 85 4.048 -24.500 -21.973 269 HA3 GLY 85 HA3 GLY 85 4.030 -26.221 -21.612 270 H MET 86 H MET 86 3.446 -23.390 -19.539 271 HA MET 86 HA MET 86 1.649 -22.767 -18.291 272 HB2 MET 86 HB2 MET 86 -0.135 -24.619 -19.828 273 HB3 MET 86 HB3 MET 86 -0.492 -23.030 -19.164 274 HG2 MET 86 HG2 MET 86 1.418 -22.394 -20.960 275 HG3 MET 86 HG3 MET 86 0.675 -23.784 -21.750 276 HE1 MET 86 HE1 MET 86 -1.033 -21.241 -23.852 277 HE2 MET 86 HE2 MET 86 0.331 -22.336 -23.628 278 HE3 MET 86 HE3 MET 86 -1.314 -22.974 -23.682 279 H GLN 87 H GLN 87 3.274 -24.967 -17.480 280 HA GLN 87 HA GLN 87 1.787 -27.165 -16.555 281 HB2 GLN 87 HB2 GLN 87 4.432 -26.513 -16.593 282 HB3 GLN 87 HB3 GLN 87 4.065 -26.330 -14.883 283 HG2 GLN 87 HG2 GLN 87 4.451 -28.512 -14.731 284 HG3 GLN 87 HG3 GLN 87 2.874 -28.718 -15.491 285 HE21 GLN 87 HE21 GLN 87 3.140 -30.423 -16.774 286 HE22 GLN 87 HE22 GLN 87 4.354 -30.576 -17.993 287 H CYS 88 H CYS 88 2.303 -27.392 -13.854 288 HA CYS 88 HA CYS 88 0.978 -25.127 -12.566 289 HB2 CYS 88 HB2 CYS 88 -0.402 -27.476 -13.284 290 HB3 CYS 88 HB3 CYS 88 -0.141 -27.579 -11.546 291 HA PRO 89 HA PRO 89 4.474 -26.962 -10.110 292 HB2 PRO 89 HB2 PRO 89 5.691 -24.586 -9.616 293 HB3 PRO 89 HB3 PRO 89 6.006 -25.544 -11.068 294 HG2 PRO 89 HG2 PRO 89 4.221 -23.167 -10.718 295 HG3 PRO 89 HG3 PRO 89 5.341 -23.540 -12.042 296 HD2 PRO 89 HD2 PRO 89 2.672 -23.955 -12.231 297 HD3 PRO 89 HD3 PRO 89 3.859 -24.985 -13.056 298 H ILE 90 H ILE 90 2.674 -23.944 -9.549 299 HA ILE 90 HA ILE 90 2.991 -23.898 -6.751 300 HB ILE 90 HB ILE 90 0.623 -22.769 -8.232 301 HG12 ILE 90 HG12 ILE 90 2.574 -22.035 -9.440 302 HG13 ILE 90 HG13 ILE 90 2.006 -20.693 -8.453 303 HG21 ILE 90 HG21 ILE 90 1.724 -21.134 -6.146 304 HG22 ILE 90 HG22 ILE 90 0.103 -21.808 -6.300 305 HG23 ILE 90 HG23 ILE 90 1.381 -22.752 -5.535 306 HD11 ILE 90 HD11 ILE 90 4.402 -20.812 -8.364 307 HD12 ILE 90 HD12 ILE 90 3.739 -21.239 -6.786 308 HD13 ILE 90 HD13 ILE 90 4.336 -22.501 -7.862 309 H CYS 91 H CYS 91 1.107 -25.895 -8.755 310 HA CYS 91 HA CYS 91 -1.042 -26.423 -6.957 311 HB2 CYS 91 HB2 CYS 91 -0.260 -27.223 -9.594 312 HB3 CYS 91 HB3 CYS 91 -0.631 -28.662 -8.650 313 H GLN 92 H GLN 92 2.199 -27.180 -6.821 314 HA GLN 92 HA GLN 92 2.158 -29.821 -5.827 315 HB2 GLN 92 HB2 GLN 92 4.109 -27.561 -5.749 316 HB3 GLN 92 HB3 GLN 92 4.380 -28.945 -4.699 317 HG2 GLN 92 HG2 GLN 92 3.843 -30.112 -7.127 318 HG3 GLN 92 HG3 GLN 92 4.757 -28.670 -7.568 319 HE21 GLN 92 HE21 GLN 92 4.917 -30.949 -4.852 320 HE22 GLN 92 HE22 GLN 92 6.592 -31.324 -5.043 321 H ALA 93 H ALA 93 1.905 -26.673 -4.253 322 HA ALA 93 HA ALA 93 1.082 -28.062 -1.790 323 HB1 ALA 93 HB1 ALA 93 3.407 -26.613 -2.034 324 HB2 ALA 93 HB2 ALA 93 2.285 -25.453 -1.321 325 HB3 ALA 93 HB3 ALA 93 2.582 -26.999 -0.525 326 HA PRO 94 HA PRO 94 -2.569 -25.614 -2.132 327 HB2 PRO 94 HB2 PRO 94 -3.449 -25.849 0.425 328 HB3 PRO 94 HB3 PRO 94 -3.549 -27.165 -0.750 329 HG2 PRO 94 HG2 PRO 94 -1.531 -26.705 1.413 330 HG3 PRO 94 HG3 PRO 94 -2.331 -28.213 0.932 331 HD2 PRO 94 HD2 PRO 94 0.190 -27.592 0.164 332 HD3 PRO 94 HD3 PRO 94 -0.910 -28.544 -0.853 333 H TRP 95 H TRP 95 -0.653 -23.850 -2.228 334 HA TRP 95 HA TRP 95 -0.179 -22.219 -0.001 335 HB2 TRP 95 HB2 TRP 95 0.907 -20.800 -1.452 336 HB3 TRP 95 HB3 TRP 95 0.884 -22.270 -2.421 337 HD1 TRP 95 HD1 TRP 95 -1.415 -22.372 -4.147 338 HE1 TRP 95 HE1 TRP 95 -2.283 -20.466 -5.641 339 HE3 TRP 95 HE3 TRP 95 0.775 -18.413 -1.767 340 HZ2 TRP 95 HZ2 TRP 95 -2.068 -17.655 -5.792 341 HZ3 TRP 95 HZ3 TRP 95 0.393 -16.148 -2.650 342 HH2 TRP 95 HH2 TRP 95 -0.998 -15.780 -4.621 343 HA PRO 96 HA PRO 96 -3.836 -19.866 0.581 344 HB2 PRO 96 HB2 PRO 96 -2.833 -17.429 1.238 345 HB3 PRO 96 HB3 PRO 96 -2.760 -18.822 2.323 346 HG2 PRO 96 HG2 PRO 96 -0.643 -17.711 0.522 347 HG3 PRO 96 HG3 PRO 96 -0.500 -18.291 2.192 348 HD2 PRO 96 HD2 PRO 96 0.229 -19.792 0.060 349 HD3 PRO 96 HD3 PRO 96 -0.426 -20.504 1.549 350 H LEU 97 H LEU 97 -5.085 -19.418 -1.133 351 HA LEU 97 HA LEU 97 -4.221 -18.137 -3.485 352 HB2 LEU 97 HB2 LEU 97 -6.952 -18.662 -2.343 353 HB3 LEU 97 HB3 LEU 97 -6.713 -17.882 -3.905 354 HG LEU 97 HG LEU 97 -5.208 -20.168 -4.141 355 HD11 LEU 97 HD11 LEU 97 -6.270 -21.985 -3.204 356 HD12 LEU 97 HD12 LEU 97 -7.780 -21.110 -2.952 357 HD13 LEU 97 HD13 LEU 97 -6.393 -20.793 -1.910 358 HD21 LEU 97 HD21 LEU 97 -6.608 -20.610 -5.871 359 HD22 LEU 97 HD22 LEU 97 -7.127 -18.957 -5.540 360 HD23 LEU 97 HD23 LEU 97 -8.063 -20.319 -4.917 361 H GLY 98 H GLY 98 -4.371 -16.051 -4.206 362 HA2 GLY 98 HA2 GLY 98 -5.340 -14.053 -2.256 363 HA3 GLY 98 HA3 GLY 98 -3.832 -13.837 -3.133 364 H ALA 99 H ALA 99 -5.187 -15.107 -5.541 365 HA ALA 99 HA ALA 99 -6.294 -14.435 -7.414 366 HB1 ALA 99 HB1 ALA 99 -7.875 -12.407 -5.913 367 HB2 ALA 99 HB2 ALA 99 -8.381 -13.523 -7.182 368 HB3 ALA 99 HB3 ALA 99 -8.113 -14.115 -5.543 369 H ASP 100 H ASP 100 -3.842 -13.184 -6.713 370 HA ASP 100 HA ASP 100 -4.054 -10.357 -7.175 371 HB2 ASP 100 HB2 ASP 100 -2.148 -11.904 -6.030 372 HB3 ASP 100 HB3 ASP 100 -1.454 -11.691 -7.634 373 H THR 101 H THR 101 -4.497 -9.503 -9.085 374 HA THR 101 HA THR 101 -4.559 -10.866 -11.512 375 HB THR 101 HB THR 101 -4.334 -8.404 -12.458 376 HG1 THR 101 HG1 THR 101 -4.835 -6.863 -10.897 377 HG21 THR 101 HG21 THR 101 -6.799 -8.126 -11.361 378 HG22 THR 101 HG22 THR 101 -6.536 -9.857 -11.150 379 HG23 THR 101 HG23 THR 101 -6.447 -9.142 -12.759 380 HA PRO 102 HA PRO 102 -0.461 -10.953 -13.078 381 HB2 PRO 102 HB2 PRO 102 -0.841 -10.436 -15.716 382 HB3 PRO 102 HB3 PRO 102 -1.306 -11.965 -14.960 383 HG2 PRO 102 HG2 PRO 102 -3.002 -9.592 -15.633 384 HG3 PRO 102 HG3 PRO 102 -3.352 -11.315 -15.854 385 HD2 PRO 102 HD2 PRO 102 -4.352 -9.879 -13.788 386 HD3 PRO 102 HD3 PRO 102 -3.957 -11.603 -13.649 387 H ALA 103 H ALA 103 1.200 -9.695 -14.279 388 HA ALA 103 HA ALA 103 1.070 -6.920 -13.505 389 HB1 ALA 103 HB1 ALA 103 3.412 -6.858 -14.381 390 HB2 ALA 103 HB2 ALA 103 3.132 -8.049 -13.110 391 HB3 ALA 103 HB3 ALA 103 3.239 -8.564 -14.794 392 H LEU 104 H LEU 104 1.381 -5.134 -14.908 393 HA LEU 104 HA LEU 104 -0.194 -5.051 -17.165 394 HB2 LEU 104 HB2 LEU 104 2.075 -3.351 -16.215 395 HB3 LEU 104 HB3 LEU 104 1.308 -3.021 -17.767 396 HG LEU 104 HG LEU 104 0.393 -1.572 -16.066 397 HD11 LEU 104 HD11 LEU 104 -1.700 -3.656 -16.602 398 HD12 LEU 104 HD12 LEU 104 -1.061 -2.619 -17.877 399 HD13 LEU 104 HD13 LEU 104 -1.886 -1.905 -16.492 400 HD21 LEU 104 HD21 LEU 104 0.888 -3.373 -14.242 401 HD22 LEU 104 HD22 LEU 104 -0.759 -3.898 -14.590 402 HD23 LEU 104 HD23 LEU 104 -0.456 -2.250 -14.036 Start of MODEL 3 1 H1 GLU 49 H GLU 49 16.145 6.334 -8.671 2 HA GLU 49 HA GLU 49 17.111 4.173 -6.923 3 HB2 GLU 49 HB2 GLU 49 16.204 5.672 -5.074 4 HB3 GLU 49 HB3 GLU 49 17.638 6.239 -5.918 5 HG2 GLU 49 HG2 GLU 49 16.378 7.814 -7.173 6 HG3 GLU 49 HG3 GLU 49 14.853 7.129 -6.612 7 H GLU 50 H GLU 50 14.299 5.625 -8.354 8 HA GLU 50 HA GLU 50 12.378 4.302 -6.702 9 HB2 GLU 50 HB2 GLU 50 12.049 6.425 -8.109 10 HB3 GLU 50 HB3 GLU 50 11.862 5.340 -9.480 11 HG2 GLU 50 HG2 GLU 50 9.695 5.898 -8.687 12 HG3 GLU 50 HG3 GLU 50 10.010 4.218 -8.255 13 H GLU 51 H GLU 51 12.393 2.135 -6.667 14 HA GLU 51 HA GLU 51 13.178 0.459 -8.774 15 HB2 GLU 51 HB2 GLU 51 12.191 -1.358 -7.472 16 HB3 GLU 51 HB3 GLU 51 13.114 -0.277 -6.437 17 HG2 GLU 51 HG2 GLU 51 10.789 0.860 -6.064 18 HG3 GLU 51 HG3 GLU 51 10.173 -0.706 -6.591 19 H PHE 52 H PHE 52 11.337 -1.439 -9.225 20 HA PHE 52 HA PHE 52 9.113 -0.001 -10.516 21 HB2 PHE 52 HB2 PHE 52 11.081 -1.177 -11.896 22 HB3 PHE 52 HB3 PHE 52 10.048 -2.582 -11.658 23 HD1 PHE 52 HD2 PHE 52 10.177 0.827 -13.068 24 HD2 PHE 52 HD1 PHE 52 8.061 -2.862 -12.893 25 HE1 PHE 52 HE2 PHE 52 8.772 1.547 -14.956 26 HE2 PHE 52 HE1 PHE 52 6.654 -2.149 -14.782 27 HZ PHE 52 HZ PHE 52 7.008 0.059 -15.814 28 H GLN 53 H GLN 53 7.086 -0.846 -10.346 29 HA GLN 53 HA GLN 53 6.725 -2.920 -8.343 30 HB2 GLN 53 HB2 GLN 53 5.414 -0.762 -8.353 31 HB3 GLN 53 HB3 GLN 53 4.590 -1.352 -9.791 32 HG2 GLN 53 HG2 GLN 53 3.348 -2.848 -8.639 33 HG3 GLN 53 HG3 GLN 53 4.614 -3.148 -7.449 34 HE21 GLN 53 HE21 GLN 53 1.632 -2.285 -7.487 35 HE22 GLN 53 HE22 GLN 53 1.586 -1.028 -6.302 36 H PHE 54 H PHE 54 6.251 -4.970 -8.777 37 HA PHE 54 HA PHE 54 4.721 -5.756 -11.066 38 HB2 PHE 54 HB2 PHE 54 6.676 -7.347 -11.801 39 HB3 PHE 54 HB3 PHE 54 6.618 -5.689 -12.389 40 HD1 PHE 54 HD1 PHE 54 7.755 -7.126 -9.144 41 HD2 PHE 54 HD2 PHE 54 8.781 -4.953 -12.657 42 HE1 PHE 54 HE1 PHE 54 10.008 -6.730 -8.238 43 HE2 PHE 54 HE2 PHE 54 11.036 -4.554 -11.757 44 HZ PHE 54 HZ PHE 54 11.651 -5.442 -9.544 45 H LEU 55 H LEU 55 4.673 -8.239 -11.216 46 HA LEU 55 HA LEU 55 4.134 -9.231 -8.566 47 HB2 LEU 55 HB2 LEU 55 4.009 -10.826 -11.105 48 HB3 LEU 55 HB3 LEU 55 3.106 -11.072 -9.612 49 HG LEU 55 HG LEU 55 2.698 -8.653 -11.352 50 HD11 LEU 55 HD11 LEU 55 0.546 -10.340 -11.758 51 HD12 LEU 55 HD12 LEU 55 1.948 -11.402 -11.879 52 HD13 LEU 55 HD13 LEU 55 1.828 -9.978 -12.912 53 HD21 LEU 55 HD21 LEU 55 1.910 -8.969 -8.860 54 HD22 LEU 55 HD22 LEU 55 0.633 -9.918 -9.622 55 HD23 LEU 55 HD23 LEU 55 0.858 -8.225 -10.064 56 H ARG 56 H ARG 56 4.740 -11.771 -8.407 57 HA ARG 56 HA ARG 56 7.538 -12.171 -9.141 58 HB2 ARG 56 HB2 ARG 56 7.434 -11.073 -6.870 59 HB3 ARG 56 HB3 ARG 56 6.601 -12.510 -6.291 60 HG2 ARG 56 HG2 ARG 56 9.032 -13.204 -7.683 61 HG3 ARG 56 HG3 ARG 56 9.341 -12.074 -6.362 62 HD2 ARG 56 HD2 ARG 56 7.868 -14.699 -6.167 63 HD3 ARG 56 HD3 ARG 56 9.497 -14.370 -5.580 64 HE ARG 56 HE ARG 56 7.895 -12.526 -4.333 65 HH11 ARG 56 HH11 ARG 56 8.021 -15.999 -4.536 66 HH12 ARG 56 HH12 ARG 56 7.348 -16.246 -2.960 67 HH21 ARG 56 HH21 ARG 56 7.007 -12.839 -2.254 68 HH22 ARG 56 HH22 ARG 56 6.769 -14.448 -1.663 69 H CYS 57 H CYS 57 7.655 -14.100 -10.059 70 HA CYS 57 HA CYS 57 5.674 -16.010 -10.155 71 HB2 CYS 57 HB2 CYS 57 7.795 -15.834 -11.571 72 HB3 CYS 57 HB3 CYS 57 8.605 -16.708 -10.275 73 H GLN 58 H GLN 58 4.812 -17.287 -8.671 74 HA GLN 58 HA GLN 58 6.032 -17.623 -6.096 75 HB2 GLN 58 HB2 GLN 58 3.533 -18.838 -7.286 76 HB3 GLN 58 HB3 GLN 58 4.024 -19.005 -5.605 77 HG2 GLN 58 HG2 GLN 58 3.413 -16.396 -6.977 78 HG3 GLN 58 HG3 GLN 58 2.300 -17.286 -5.939 79 HE21 GLN 58 HE21 GLN 58 3.841 -18.072 -3.884 80 HE22 GLN 58 HE22 GLN 58 4.473 -16.707 -3.034 81 H GLN 59 H GLN 59 6.707 -19.038 -8.938 82 HA GLN 59 HA GLN 59 7.354 -21.628 -7.689 83 HB2 GLN 59 HB2 GLN 59 6.723 -22.744 -9.553 84 HB3 GLN 59 HB3 GLN 59 5.751 -21.306 -9.840 85 HG2 GLN 59 HG2 GLN 59 6.744 -21.254 -11.830 86 HG3 GLN 59 HG3 GLN 59 8.136 -20.609 -10.962 87 HE21 GLN 59 HE21 GLN 59 9.967 -21.770 -10.876 88 HE22 GLN 59 HE22 GLN 59 10.162 -23.347 -11.554 89 H CYS 60 H CYS 60 8.542 -18.829 -9.275 90 HA CYS 60 HA CYS 60 11.196 -20.067 -9.581 91 HB2 CYS 60 HB2 CYS 60 9.803 -17.850 -11.028 92 HB3 CYS 60 HB3 CYS 60 11.561 -17.837 -10.936 93 H GLN 61 H GLN 61 9.371 -17.707 -7.879 94 HA GLN 61 HA GLN 61 9.878 -16.258 -6.201 95 HB2 GLN 61 HB2 GLN 61 12.528 -17.674 -5.970 96 HB3 GLN 61 HB3 GLN 61 11.635 -16.835 -4.708 97 HG2 GLN 61 HG2 GLN 61 9.925 -18.549 -4.739 98 HG3 GLN 61 HG3 GLN 61 10.749 -19.372 -6.061 99 HE21 GLN 61 HE21 GLN 61 11.678 -21.145 -5.354 100 HE22 GLN 61 HE22 GLN 61 12.542 -21.325 -3.870 101 H ALA 62 H ALA 62 10.500 -15.484 -8.868 102 HA ALA 62 HA ALA 62 12.525 -13.456 -8.287 103 HB1 ALA 62 HB1 ALA 62 13.724 -13.795 -10.316 104 HB2 ALA 62 HB2 ALA 62 13.611 -15.358 -9.505 105 HB3 ALA 62 HB3 ALA 62 12.559 -14.997 -10.873 106 H GLU 63 H GLU 63 12.605 -11.925 -10.360 107 HA GLU 63 HA GLU 63 10.069 -10.694 -10.500 108 HB2 GLU 63 HB2 GLU 63 12.726 -10.254 -11.760 109 HB3 GLU 63 HB3 GLU 63 11.336 -9.506 -12.532 110 HG2 GLU 63 HG2 GLU 63 10.836 -8.220 -10.629 111 HG3 GLU 63 HG3 GLU 63 11.914 -9.170 -9.609 112 H ALA 64 H ALA 64 8.422 -10.911 -11.883 113 HA ALA 64 HA ALA 64 8.771 -12.770 -14.138 114 HB1 ALA 64 HB1 ALA 64 6.236 -12.020 -12.688 115 HB2 ALA 64 HB2 ALA 64 6.382 -13.201 -13.990 116 HB3 ALA 64 HB3 ALA 64 7.165 -13.498 -12.438 117 H LYS 65 H LYS 65 9.024 -11.750 -16.012 118 HA LYS 65 HA LYS 65 8.303 -9.068 -16.494 119 HB2 LYS 65 HB2 LYS 65 9.191 -11.348 -18.226 120 HB3 LYS 65 HB3 LYS 65 8.627 -9.857 -18.969 121 HG2 LYS 65 HG2 LYS 65 10.880 -9.473 -18.859 122 HG3 LYS 65 HG3 LYS 65 10.341 -8.739 -17.347 123 HD2 LYS 65 HD2 LYS 65 12.198 -10.019 -16.729 124 HD3 LYS 65 HD3 LYS 65 10.817 -11.028 -16.291 125 HE2 LYS 65 HE2 LYS 65 11.220 -12.540 -17.962 126 HE3 LYS 65 HE3 LYS 65 11.984 -11.344 -19.008 127 HZ1 LYS 65 HZ1 LYS 65 13.262 -12.273 -16.508 128 HZ2 LYS 65 HZ2 LYS 65 13.977 -11.484 -17.821 129 HZ3 LYS 65 HZ3 LYS 65 13.473 -13.091 -17.974 130 H CYS 66 H CYS 66 6.989 -11.964 -18.115 131 HA CYS 66 HA CYS 66 4.399 -10.567 -18.277 132 HB2 CYS 66 HB2 CYS 66 5.945 -12.106 -20.279 133 HB3 CYS 66 HB3 CYS 66 4.211 -12.402 -20.254 134 HG CYS 66 HG CYS 66 3.439 -10.157 -21.316 135 HA PRO 67 HA PRO 67 3.891 -14.422 -15.714 136 HB2 PRO 67 HB2 PRO 67 2.490 -13.211 -13.730 137 HB3 PRO 67 HB3 PRO 67 4.255 -13.281 -13.753 138 HG2 PRO 67 HG2 PRO 67 2.437 -11.045 -14.563 139 HG3 PRO 67 HG3 PRO 67 3.943 -10.980 -13.628 140 HD2 PRO 67 HD2 PRO 67 3.836 -10.361 -16.262 141 HD3 PRO 67 HD3 PRO 67 5.266 -11.099 -15.512 142 H LYS 68 H LYS 68 2.050 -15.675 -15.575 143 HA LYS 68 HA LYS 68 -0.424 -14.487 -16.647 144 HB2 LYS 68 HB2 LYS 68 0.641 -17.275 -17.130 145 HB3 LYS 68 HB3 LYS 68 -0.904 -16.662 -17.707 146 HG2 LYS 68 HG2 LYS 68 1.835 -15.709 -18.514 147 HG3 LYS 68 HG3 LYS 68 0.687 -16.618 -19.500 148 HD2 LYS 68 HD2 LYS 68 -0.879 -14.742 -19.411 149 HD3 LYS 68 HD3 LYS 68 0.256 -13.836 -18.406 150 HE2 LYS 68 HE2 LYS 68 0.377 -13.127 -20.739 151 HE3 LYS 68 HE3 LYS 68 1.890 -13.863 -20.218 152 HZ1 LYS 68 HZ1 LYS 68 1.721 -15.297 -21.876 153 HZ2 LYS 68 HZ2 LYS 68 0.269 -14.591 -22.376 154 HZ3 LYS 68 HZ3 LYS 68 0.250 -15.872 -21.270 155 H LEU 69 H LEU 69 -2.412 -15.470 -15.935 156 HA LEU 69 HA LEU 69 -2.185 -16.500 -13.200 157 HB2 LEU 69 HB2 LEU 69 -4.596 -15.406 -14.641 158 HB3 LEU 69 HB3 LEU 69 -4.504 -15.834 -12.933 159 HG LEU 69 HG LEU 69 -3.123 -13.540 -14.318 160 HD11 LEU 69 HD11 LEU 69 -4.798 -13.120 -11.944 161 HD12 LEU 69 HD12 LEU 69 -5.660 -13.672 -13.380 162 HD13 LEU 69 HD13 LEU 69 -4.696 -12.198 -13.444 163 HD21 LEU 69 HD21 LEU 69 -1.515 -14.114 -12.783 164 HD22 LEU 69 HD22 LEU 69 -2.681 -14.799 -11.651 165 HD23 LEU 69 HD23 LEU 69 -2.534 -13.049 -11.815 166 H LEU 70 H LEU 70 -1.813 -18.675 -13.552 167 HA LEU 70 HA LEU 70 -2.974 -20.364 -15.377 168 HB2 LEU 70 HB2 LEU 70 -1.958 -20.759 -12.599 169 HB3 LEU 70 HB3 LEU 70 -2.753 -22.097 -13.427 170 HG LEU 70 HG LEU 70 -0.321 -20.644 -14.466 171 HD11 LEU 70 HD11 LEU 70 0.193 -21.844 -12.406 172 HD12 LEU 70 HD12 LEU 70 0.927 -22.630 -13.802 173 HD13 LEU 70 HD13 LEU 70 -0.527 -23.310 -13.072 174 HD21 LEU 70 HD21 LEU 70 -0.179 -22.524 -16.017 175 HD22 LEU 70 HD22 LEU 70 -1.702 -21.656 -16.208 176 HD23 LEU 70 HD23 LEU 70 -1.666 -23.197 -15.349 177 HA PRO 71 HA PRO 71 -7.202 -20.956 -14.369 178 HB2 PRO 71 HB2 PRO 71 -7.532 -23.627 -14.723 179 HB3 PRO 71 HB3 PRO 71 -7.299 -22.502 -16.066 180 HG2 PRO 71 HG2 PRO 71 -5.307 -24.291 -14.726 181 HG3 PRO 71 HG3 PRO 71 -5.536 -23.968 -16.455 182 HD2 PRO 71 HD2 PRO 71 -3.587 -22.782 -14.997 183 HD3 PRO 71 HD3 PRO 71 -4.382 -21.975 -16.364 184 H CYS 72 H CYS 72 -4.775 -22.287 -12.439 185 HA CYS 72 HA CYS 72 -6.681 -23.358 -10.481 186 HB2 CYS 72 HB2 CYS 72 -3.685 -23.636 -10.751 187 HB3 CYS 72 HB3 CYS 72 -4.580 -24.205 -9.346 188 H LEU 73 H LEU 73 -5.778 -20.447 -11.152 189 HA LEU 73 HA LEU 73 -5.688 -18.499 -9.977 190 HB2 LEU 73 HB2 LEU 73 -5.874 -20.048 -7.419 191 HB3 LEU 73 HB3 LEU 73 -6.431 -18.412 -7.760 192 HG LEU 73 HG LEU 73 -7.872 -20.156 -9.459 193 HD11 LEU 73 HD11 LEU 73 -9.019 -21.335 -7.382 194 HD12 LEU 73 HD12 LEU 73 -7.379 -21.241 -6.742 195 HD13 LEU 73 HD13 LEU 73 -7.685 -22.081 -8.263 196 HD21 LEU 73 HD21 LEU 73 -8.338 -17.931 -7.996 197 HD22 LEU 73 HD22 LEU 73 -9.176 -19.142 -7.025 198 HD23 LEU 73 HD23 LEU 73 -9.603 -18.922 -8.722 199 H HIS 74 H HIS 74 -3.328 -20.051 -10.620 200 HA HIS 74 HA HIS 74 -1.524 -19.418 -8.395 201 HB2 HIS 74 HB2 HIS 74 -0.953 -20.985 -10.918 202 HB3 HIS 74 HB3 HIS 74 0.114 -20.819 -9.527 203 HD1 HIS 74 HD1 HIS 74 -2.667 -21.226 -7.679 204 HD2 HIS 74 HD2 HIS 74 -0.820 -23.809 -10.358 205 HE1 HIS 74 HE1 HIS 74 -3.427 -23.531 -7.023 206 H THR 75 H THR 75 0.625 -18.499 -8.998 207 HA THR 75 HA THR 75 0.356 -16.543 -11.188 208 HB THR 75 HB THR 75 1.849 -16.044 -8.612 209 HG1 THR 75 HG1 THR 75 -0.840 -15.588 -9.327 210 HG21 THR 75 HG21 THR 75 1.719 -14.694 -11.124 211 HG22 THR 75 HG22 THR 75 2.613 -14.241 -9.673 212 HG23 THR 75 HG23 THR 75 0.956 -13.683 -9.898 213 H LEU 76 H LEU 76 1.658 -17.293 -12.752 214 HA LEU 76 HA LEU 76 4.392 -18.096 -11.998 215 HB2 LEU 76 HB2 LEU 76 2.417 -19.320 -13.729 216 HB3 LEU 76 HB3 LEU 76 3.934 -19.025 -14.574 217 HG LEU 76 HG LEU 76 5.100 -20.290 -12.761 218 HD11 LEU 76 HD11 LEU 76 2.471 -20.182 -11.602 219 HD12 LEU 76 HD12 LEU 76 3.995 -20.700 -10.882 220 HD13 LEU 76 HD13 LEU 76 3.006 -21.853 -11.778 221 HD21 LEU 76 HD21 LEU 76 4.915 -22.148 -13.995 222 HD22 LEU 76 HD22 LEU 76 3.825 -21.194 -15.000 223 HD23 LEU 76 HD23 LEU 76 3.172 -22.253 -13.750 224 H CYS 77 H CYS 77 5.950 -17.816 -13.922 225 HA CYS 77 HA CYS 77 5.609 -15.078 -14.913 226 HB2 CYS 77 HB2 CYS 77 8.036 -15.078 -15.239 227 HB3 CYS 77 HB3 CYS 77 7.628 -15.522 -13.585 228 H SER 78 H SER 78 6.344 -14.569 -17.091 229 HA SER 78 HA SER 78 5.111 -16.013 -19.069 230 HB2 SER 78 HB2 SER 78 5.722 -14.183 -20.207 231 HB3 SER 78 HB3 SER 78 6.875 -13.760 -18.941 232 HG SER 78 HG SER 78 7.290 -15.282 -21.279 233 H GLY 79 H GLY 79 8.599 -16.073 -18.317 234 HA2 GLY 79 HA2 GLY 79 9.388 -17.986 -20.157 235 HA3 GLY 79 HA3 GLY 79 10.170 -17.722 -18.605 236 H CYS 80 H CYS 80 7.732 -18.426 -17.108 237 HA CYS 80 HA CYS 80 8.209 -21.240 -16.936 238 HB2 CYS 80 HB2 CYS 80 6.716 -19.211 -15.421 239 HB3 CYS 80 HB3 CYS 80 5.972 -20.808 -15.414 240 H LEU 81 H LEU 81 5.734 -19.208 -18.349 241 HA LEU 81 HA LEU 81 3.800 -21.231 -18.780 242 HB2 LEU 81 HB2 LEU 81 4.256 -18.463 -19.680 243 HB3 LEU 81 HB3 LEU 81 3.283 -19.464 -20.757 244 HG LEU 81 HG LEU 81 1.858 -18.177 -19.286 245 HD11 LEU 81 HD11 LEU 81 0.561 -19.969 -19.534 246 HD12 LEU 81 HD12 LEU 81 1.082 -20.443 -17.916 247 HD13 LEU 81 HD13 LEU 81 1.918 -21.078 -19.333 248 HD21 LEU 81 HD21 LEU 81 3.579 -19.375 -17.147 249 HD22 LEU 81 HD22 LEU 81 1.926 -18.866 -16.797 250 HD23 LEU 81 HD23 LEU 81 3.105 -17.694 -17.389 251 H GLU 82 H GLU 82 6.406 -19.921 -20.791 252 HA GLU 82 HA GLU 82 5.782 -21.640 -23.011 253 HB2 GLU 82 HB2 GLU 82 7.021 -19.298 -22.925 254 HB3 GLU 82 HB3 GLU 82 8.442 -20.316 -22.742 255 HG2 GLU 82 HG2 GLU 82 7.588 -21.549 -24.817 256 HG3 GLU 82 HG3 GLU 82 6.539 -20.151 -25.045 257 H ALA 83 H ALA 83 8.328 -21.510 -20.539 258 HA ALA 83 HA ALA 83 9.709 -23.816 -21.434 259 HB1 ALA 83 HB1 ALA 83 10.983 -23.655 -19.448 260 HB2 ALA 83 HB2 ALA 83 10.611 -21.999 -19.931 261 HB3 ALA 83 HB3 ALA 83 9.710 -22.758 -18.618 262 H SER 84 H SER 84 7.478 -23.339 -18.690 263 HA SER 84 HA SER 84 7.296 -26.192 -18.254 264 HB2 SER 84 HB2 SER 84 6.933 -23.932 -16.653 265 HB3 SER 84 HB3 SER 84 5.316 -24.611 -16.833 266 HG SER 84 HG SER 84 7.535 -25.627 -15.532 267 H GLY 85 H GLY 85 6.188 -24.595 -20.691 268 HA2 GLY 85 HA2 GLY 85 4.269 -24.565 -21.987 269 HA3 GLY 85 HA3 GLY 85 4.280 -26.278 -21.594 270 H MET 86 H MET 86 3.614 -23.429 -19.574 271 HA MET 86 HA MET 86 1.798 -22.832 -18.341 272 HB2 MET 86 HB2 MET 86 0.103 -24.687 -19.991 273 HB3 MET 86 HB3 MET 86 -0.354 -23.172 -19.224 274 HG2 MET 86 HG2 MET 86 0.963 -21.927 -20.825 275 HG3 MET 86 HG3 MET 86 1.524 -23.427 -21.560 276 HE1 MET 86 HE1 MET 86 0.405 -23.916 -24.004 277 HE2 MET 86 HE2 MET 86 0.138 -25.086 -22.712 278 HE3 MET 86 HE3 MET 86 -1.194 -24.623 -23.773 279 H GLN 87 H GLN 87 3.417 -25.015 -17.497 280 HA GLN 87 HA GLN 87 1.915 -27.225 -16.613 281 HB2 GLN 87 HB2 GLN 87 4.585 -26.444 -16.528 282 HB3 GLN 87 HB3 GLN 87 4.111 -26.537 -14.837 283 HG2 GLN 87 HG2 GLN 87 4.836 -28.670 -15.207 284 HG3 GLN 87 HG3 GLN 87 3.113 -28.841 -15.541 285 HE21 GLN 87 HE21 GLN 87 2.539 -29.695 -17.415 286 HE22 GLN 87 HE22 GLN 87 3.573 -29.922 -18.780 287 H CYS 88 H CYS 88 2.423 -27.451 -13.900 288 HA CYS 88 HA CYS 88 1.090 -25.193 -12.616 289 HB2 CYS 88 HB2 CYS 88 -0.335 -27.469 -13.394 290 HB3 CYS 88 HB3 CYS 88 -0.047 -27.689 -11.671 291 HA PRO 89 HA PRO 89 4.535 -27.091 -10.131 292 HB2 PRO 89 HB2 PRO 89 5.779 -24.734 -9.612 293 HB3 PRO 89 HB3 PRO 89 6.098 -25.689 -11.065 294 HG2 PRO 89 HG2 PRO 89 4.342 -23.288 -10.723 295 HG3 PRO 89 HG3 PRO 89 5.471 -23.670 -12.035 296 HD2 PRO 89 HD2 PRO 89 2.799 -24.047 -12.258 297 HD3 PRO 89 HD3 PRO 89 3.982 -25.089 -13.075 298 H ILE 90 H ILE 90 2.749 -24.065 -9.580 299 HA ILE 90 HA ILE 90 3.033 -24.066 -6.767 300 HB ILE 90 HB ILE 90 0.746 -22.806 -8.266 301 HG12 ILE 90 HG12 ILE 90 2.755 -22.156 -9.439 302 HG13 ILE 90 HG13 ILE 90 2.217 -20.796 -8.458 303 HG21 ILE 90 HG21 ILE 90 1.398 -22.889 -5.572 304 HG22 ILE 90 HG22 ILE 90 1.953 -21.304 -6.109 305 HG23 ILE 90 HG23 ILE 90 0.272 -21.777 -6.351 306 HD11 ILE 90 HD11 ILE 90 4.493 -22.674 -7.891 307 HD12 ILE 90 HD12 ILE 90 4.578 -20.953 -8.271 308 HD13 ILE 90 HD13 ILE 90 3.887 -21.485 -6.739 309 H CYS 91 H CYS 91 1.020 -25.848 -8.891 310 HA CYS 91 HA CYS 91 -1.251 -26.318 -7.374 311 HB2 CYS 91 HB2 CYS 91 -0.172 -27.318 -9.739 312 HB3 CYS 91 HB3 CYS 91 -0.320 -28.733 -8.701 313 H GLN 92 H GLN 92 1.985 -27.376 -6.854 314 HA GLN 92 HA GLN 92 1.269 -29.549 -5.092 315 HB2 GLN 92 HB2 GLN 92 3.905 -28.248 -5.776 316 HB3 GLN 92 HB3 GLN 92 3.753 -29.568 -4.623 317 HG2 GLN 92 HG2 GLN 92 3.051 -29.653 -7.548 318 HG3 GLN 92 HG3 GLN 92 4.441 -30.411 -6.773 319 HE21 GLN 92 HE21 GLN 92 2.224 -31.561 -8.332 320 HE22 GLN 92 HE22 GLN 92 1.517 -32.764 -7.314 321 H ALA 93 H ALA 93 2.173 -26.183 -4.826 322 HA ALA 93 HA ALA 93 2.176 -26.385 -1.896 323 HB1 ALA 93 HB1 ALA 93 2.849 -23.825 -3.221 324 HB2 ALA 93 HB2 ALA 93 3.572 -24.600 -1.811 325 HB3 ALA 93 HB3 ALA 93 3.980 -25.162 -3.432 326 HA PRO 94 HA PRO 94 -2.031 -24.789 -2.392 327 HB2 PRO 94 HB2 PRO 94 -2.794 -25.421 0.136 328 HB3 PRO 94 HB3 PRO 94 -2.760 -26.600 -1.180 329 HG2 PRO 94 HG2 PRO 94 -0.752 -26.123 0.989 330 HG3 PRO 94 HG3 PRO 94 -1.365 -27.659 0.349 331 HD2 PRO 94 HD2 PRO 94 1.029 -26.630 -0.383 332 HD3 PRO 94 HD3 PRO 94 0.030 -27.599 -1.484 333 H TRP 95 H TRP 95 -0.705 -22.695 -2.445 334 HA TRP 95 HA TRP 95 -0.562 -21.305 0.106 335 HB2 TRP 95 HB2 TRP 95 0.753 -19.718 -0.958 336 HB3 TRP 95 HB3 TRP 95 1.132 -21.167 -1.885 337 HD1 TRP 95 HD1 TRP 95 -1.216 -21.282 -3.915 338 HE1 TRP 95 HE1 TRP 95 -1.496 -19.470 -5.722 339 HE3 TRP 95 HE3 TRP 95 1.459 -17.522 -1.713 340 HZ2 TRP 95 HZ2 TRP 95 -0.689 -16.799 -6.155 341 HZ3 TRP 95 HZ3 TRP 95 1.657 -15.371 -2.891 342 HH2 TRP 95 HH2 TRP 95 0.606 -15.019 -5.066 343 HA PRO 96 HA PRO 96 -4.354 -19.117 -0.189 344 HB2 PRO 96 HB2 PRO 96 -3.679 -16.692 0.830 345 HB3 PRO 96 HB3 PRO 96 -3.826 -18.146 1.825 346 HG2 PRO 96 HG2 PRO 96 -1.366 -16.856 0.709 347 HG3 PRO 96 HG3 PRO 96 -1.639 -17.531 2.325 348 HD2 PRO 96 HD2 PRO 96 -0.303 -18.876 0.391 349 HD3 PRO 96 HD3 PRO 96 -1.291 -19.696 1.616 350 H LEU 97 H LEU 97 -5.155 -18.577 -2.124 351 HA LEU 97 HA LEU 97 -3.709 -16.722 -3.847 352 HB2 LEU 97 HB2 LEU 97 -5.491 -17.319 -5.499 353 HB3 LEU 97 HB3 LEU 97 -4.485 -18.662 -4.959 354 HG LEU 97 HG LEU 97 -6.714 -18.652 -3.259 355 HD11 LEU 97 HD11 LEU 97 -7.397 -17.911 -6.065 356 HD12 LEU 97 HD12 LEU 97 -8.133 -17.389 -4.550 357 HD13 LEU 97 HD13 LEU 97 -8.451 -19.008 -5.173 358 HD21 LEU 97 HD21 LEU 97 -5.848 -20.714 -3.749 359 HD22 LEU 97 HD22 LEU 97 -5.646 -20.347 -5.462 360 HD23 LEU 97 HD23 LEU 97 -7.251 -20.702 -4.818 361 H GLY 98 H GLY 98 -4.681 -15.499 -1.567 362 HA2 GLY 98 HA2 GLY 98 -7.201 -14.390 -1.599 363 HA3 GLY 98 HA3 GLY 98 -5.776 -13.563 -0.990 364 H ALA 99 H ALA 99 -4.411 -12.467 -2.662 365 HA ALA 99 HA ALA 99 -6.177 -11.150 -4.606 366 HB1 ALA 99 HB1 ALA 99 -5.341 -9.445 -3.330 367 HB2 ALA 99 HB2 ALA 99 -3.801 -10.259 -3.050 368 HB3 ALA 99 HB3 ALA 99 -4.128 -9.500 -4.609 369 H ASP 100 H ASP 100 -6.055 -12.348 -6.440 370 HA ASP 100 HA ASP 100 -3.374 -12.911 -7.520 371 HB2 ASP 100 HB2 ASP 100 -4.597 -14.584 -8.978 372 HB3 ASP 100 HB3 ASP 100 -4.553 -14.963 -7.258 373 H THR 101 H THR 101 -2.875 -11.156 -8.718 374 HA THR 101 HA THR 101 -4.586 -10.602 -11.026 375 HB THR 101 HB THR 101 -3.651 -8.080 -10.390 376 HG1 THR 101 HG1 THR 101 -4.550 -9.401 -8.028 377 HG21 THR 101 HG21 THR 101 -6.348 -8.864 -9.418 378 HG22 THR 101 HG22 THR 101 -5.983 -9.117 -11.124 379 HG23 THR 101 HG23 THR 101 -5.862 -7.503 -10.426 380 HA PRO 102 HA PRO 102 -0.830 -10.407 -13.289 381 HB2 PRO 102 HB2 PRO 102 -1.399 -8.523 -15.159 382 HB3 PRO 102 HB3 PRO 102 -2.107 -10.143 -15.181 383 HG2 PRO 102 HG2 PRO 102 -3.283 -7.575 -14.188 384 HG3 PRO 102 HG3 PRO 102 -4.042 -8.856 -15.153 385 HD2 PRO 102 HD2 PRO 102 -4.430 -8.618 -12.483 386 HD3 PRO 102 HD3 PRO 102 -4.425 -10.188 -13.312 387 H ALA 103 H ALA 103 0.628 -8.576 -14.410 388 HA ALA 103 HA ALA 103 1.452 -6.857 -12.214 389 HB1 ALA 103 HB1 ALA 103 3.230 -8.065 -13.190 390 HB2 ALA 103 HB2 ALA 103 2.742 -7.613 -14.824 391 HB3 ALA 103 HB3 ALA 103 3.418 -6.399 -13.738 392 H LEU 104 H LEU 104 1.828 -4.608 -12.440 393 HA LEU 104 HA LEU 104 -0.195 -3.125 -13.577 394 HB2 LEU 104 HB2 LEU 104 2.604 -2.419 -12.774 395 HB3 LEU 104 HB3 LEU 104 1.525 -1.207 -13.464 396 HG LEU 104 HG LEU 104 -0.085 -1.819 -11.575 397 HD11 LEU 104 HD11 LEU 104 1.562 -2.552 -9.570 398 HD12 LEU 104 HD12 LEU 104 2.255 -3.473 -10.905 399 HD13 LEU 104 HD13 LEU 104 0.554 -3.676 -10.481 400 HD21 LEU 104 HD21 LEU 104 1.062 0.283 -11.589 401 HD22 LEU 104 HD22 LEU 104 2.557 -0.471 -11.034 402 HD23 LEU 104 HD23 LEU 104 1.160 -0.387 -9.960 Start of MODEL 4 1 H1 GLU 49 H GLU 49 4.321 6.895 -2.537 2 HA GLU 49 HA GLU 49 7.124 6.116 -2.432 3 HB2 GLU 49 HB2 GLU 49 4.986 3.994 -2.314 4 HB3 GLU 49 HB3 GLU 49 6.724 3.787 -2.152 5 HG2 GLU 49 HG2 GLU 49 6.029 3.608 0.024 6 HG3 GLU 49 HG3 GLU 49 6.448 5.317 -0.073 7 H GLU 50 H GLU 50 7.910 5.295 -4.356 8 HA GLU 50 HA GLU 50 5.999 5.034 -6.574 9 HB2 GLU 50 HB2 GLU 50 6.983 7.281 -6.679 10 HB3 GLU 50 HB3 GLU 50 8.596 6.581 -6.669 11 HG2 GLU 50 HG2 GLU 50 8.283 7.009 -8.899 12 HG3 GLU 50 HG3 GLU 50 7.781 5.322 -8.786 13 H GLU 51 H GLU 51 6.257 3.193 -7.646 14 HA GLU 51 HA GLU 51 8.907 2.050 -8.003 15 HB2 GLU 51 HB2 GLU 51 6.669 0.480 -6.711 16 HB3 GLU 51 HB3 GLU 51 8.242 -0.156 -7.171 17 HG2 GLU 51 HG2 GLU 51 9.259 1.506 -5.586 18 HG3 GLU 51 HG3 GLU 51 7.625 1.845 -5.018 19 H PHE 52 H PHE 52 8.408 -0.290 -9.144 20 HA PHE 52 HA PHE 52 6.714 0.414 -11.442 21 HB2 PHE 52 HB2 PHE 52 9.322 -0.194 -11.519 22 HB3 PHE 52 HB3 PHE 52 8.664 -1.823 -11.626 23 HD1 PHE 52 HD2 PHE 52 8.524 1.529 -13.207 24 HD2 PHE 52 HD1 PHE 52 7.872 -2.654 -13.652 25 HE1 PHE 52 HE2 PHE 52 8.140 1.848 -15.616 26 HE2 PHE 52 HE1 PHE 52 7.488 -2.342 -16.062 27 HZ PHE 52 HZ PHE 52 7.622 -0.088 -17.047 28 H GLN 53 H GLN 53 4.841 -0.609 -11.598 29 HA GLN 53 HA GLN 53 3.934 -2.610 -9.919 30 HB2 GLN 53 HB2 GLN 53 2.502 -1.172 -11.360 31 HB3 GLN 53 HB3 GLN 53 3.011 -2.114 -12.754 32 HG2 GLN 53 HG2 GLN 53 1.211 -3.355 -12.370 33 HG3 GLN 53 HG3 GLN 53 2.124 -4.045 -11.029 34 HE21 GLN 53 HE21 GLN 53 -0.733 -3.748 -11.285 35 HE22 GLN 53 HE22 GLN 53 -1.251 -2.761 -9.964 36 H PHE 54 H PHE 54 4.847 -4.539 -9.649 37 HA PHE 54 HA PHE 54 5.074 -6.318 -11.928 38 HB2 PHE 54 HB2 PHE 54 7.355 -6.768 -11.791 39 HB3 PHE 54 HB3 PHE 54 7.301 -5.025 -11.552 40 HD1 PHE 54 HD2 PHE 54 6.565 -4.721 -8.782 41 HD2 PHE 54 HD1 PHE 54 9.135 -7.591 -10.591 42 HE1 PHE 54 HE2 PHE 54 7.771 -4.978 -6.653 43 HE2 PHE 54 HE1 PHE 54 10.345 -7.852 -8.466 44 HZ PHE 54 HZ PHE 54 9.666 -6.544 -6.493 45 H LEU 55 H LEU 55 5.675 -8.565 -11.205 46 HA LEU 55 HA LEU 55 4.696 -9.065 -8.471 47 HB2 LEU 55 HB2 LEU 55 4.241 -10.917 -10.791 48 HB3 LEU 55 HB3 LEU 55 3.475 -10.946 -9.205 49 HG LEU 55 HG LEU 55 3.036 -8.631 -11.053 50 HD11 LEU 55 HD11 LEU 55 0.860 -10.047 -11.569 51 HD12 LEU 55 HD12 LEU 55 1.972 -11.391 -11.310 52 HD13 LEU 55 HD13 LEU 55 2.317 -10.187 -12.552 53 HD21 LEU 55 HD21 LEU 55 1.195 -9.915 -9.050 54 HD22 LEU 55 HD22 LEU 55 1.051 -8.326 -9.800 55 HD23 LEU 55 HD23 LEU 55 2.334 -8.635 -8.630 56 H ARG 56 H ARG 56 5.079 -11.770 -8.341 57 HA ARG 56 HA ARG 56 7.856 -12.299 -9.060 58 HB2 ARG 56 HB2 ARG 56 7.799 -11.207 -6.782 59 HB3 ARG 56 HB3 ARG 56 6.905 -12.609 -6.212 60 HG2 ARG 56 HG2 ARG 56 9.309 -13.389 -7.612 61 HG3 ARG 56 HG3 ARG 56 9.657 -12.296 -6.271 62 HD2 ARG 56 HD2 ARG 56 8.095 -14.872 -6.139 63 HD3 ARG 56 HD3 ARG 56 9.718 -14.593 -5.508 64 HE ARG 56 HE ARG 56 7.249 -13.918 -4.248 65 HH11 ARG 56 HH11 ARG 56 10.579 -12.961 -4.589 66 HH12 ARG 56 HH12 ARG 56 10.642 -12.161 -3.053 67 HH21 ARG 56 HH21 ARG 56 7.318 -12.868 -2.224 68 HH22 ARG 56 HH22 ARG 56 8.788 -12.110 -1.709 69 H CYS 57 H CYS 57 7.879 -14.228 -9.986 70 HA CYS 57 HA CYS 57 5.802 -16.037 -10.081 71 HB2 CYS 57 HB2 CYS 57 7.924 -15.947 -11.511 72 HB3 CYS 57 HB3 CYS 57 8.691 -16.886 -10.233 73 H GLN 58 H GLN 58 4.913 -17.339 -8.631 74 HA GLN 58 HA GLN 58 6.117 -17.723 -6.053 75 HB2 GLN 58 HB2 GLN 58 3.606 -18.936 -7.219 76 HB3 GLN 58 HB3 GLN 58 4.077 -18.980 -5.526 77 HG2 GLN 58 HG2 GLN 58 3.927 -16.540 -5.425 78 HG3 GLN 58 HG3 GLN 58 3.434 -16.508 -7.118 79 HE21 GLN 58 HE21 GLN 58 2.500 -18.661 -4.469 80 HE22 GLN 58 HE22 GLN 58 0.810 -18.312 -4.547 81 H GLN 59 H GLN 59 6.759 -19.132 -8.906 82 HA GLN 59 HA GLN 59 7.346 -21.743 -7.674 83 HB2 GLN 59 HB2 GLN 59 6.678 -22.844 -9.538 84 HB3 GLN 59 HB3 GLN 59 5.715 -21.393 -9.790 85 HG2 GLN 59 HG2 GLN 59 6.664 -21.337 -11.801 86 HG3 GLN 59 HG3 GLN 59 8.079 -20.708 -10.960 87 HE21 GLN 59 HE21 GLN 59 9.897 -21.902 -10.876 88 HE22 GLN 59 HE22 GLN 59 10.071 -23.468 -11.586 89 H CYS 60 H CYS 60 8.575 -18.977 -9.294 90 HA CYS 60 HA CYS 60 11.193 -20.278 -9.639 91 HB2 CYS 60 HB2 CYS 60 9.836 -18.011 -11.044 92 HB3 CYS 60 HB3 CYS 60 11.595 -18.049 -10.984 93 H GLN 61 H GLN 61 9.463 -17.821 -7.943 94 HA GLN 61 HA GLN 61 10.035 -16.430 -6.238 95 HB2 GLN 61 HB2 GLN 61 12.664 -17.892 -6.083 96 HB3 GLN 61 HB3 GLN 61 11.818 -17.047 -4.794 97 HG2 GLN 61 HG2 GLN 61 10.062 -18.733 -4.824 98 HG3 GLN 61 HG3 GLN 61 10.885 -19.573 -6.137 99 HE21 GLN 61 HE21 GLN 61 12.048 -21.241 -5.535 100 HE22 GLN 61 HE22 GLN 61 12.806 -21.458 -3.997 101 H ALA 62 H ALA 62 10.599 -15.640 -8.911 102 HA ALA 62 HA ALA 62 12.680 -13.657 -8.366 103 HB1 ALA 62 HB1 ALA 62 12.607 -15.151 -10.979 104 HB2 ALA 62 HB2 ALA 62 13.823 -14.002 -10.419 105 HB3 ALA 62 HB3 ALA 62 13.677 -15.580 -9.644 106 H GLU 63 H GLU 63 12.728 -12.087 -10.397 107 HA GLU 63 HA GLU 63 10.213 -10.814 -10.457 108 HB2 GLU 63 HB2 GLU 63 12.780 -10.427 -11.964 109 HB3 GLU 63 HB3 GLU 63 11.349 -9.502 -12.394 110 HG2 GLU 63 HG2 GLU 63 11.348 -9.039 -9.777 111 HG3 GLU 63 HG3 GLU 63 13.072 -9.334 -9.997 112 H ALA 64 H ALA 64 8.519 -11.001 -11.782 113 HA ALA 64 HA ALA 64 8.741 -12.879 -14.030 114 HB1 ALA 64 HB1 ALA 64 6.035 -12.193 -13.529 115 HB2 ALA 64 HB2 ALA 64 6.843 -13.739 -13.272 116 HB3 ALA 64 HB3 ALA 64 6.806 -12.539 -11.981 117 H LYS 65 H LYS 65 9.155 -11.866 -15.887 118 HA LYS 65 HA LYS 65 8.557 -9.168 -16.434 119 HB2 LYS 65 HB2 LYS 65 9.354 -11.502 -18.152 120 HB3 LYS 65 HB3 LYS 65 8.975 -9.942 -18.868 121 HG2 LYS 65 HG2 LYS 65 10.845 -8.940 -18.020 122 HG3 LYS 65 HG3 LYS 65 10.937 -10.034 -16.637 123 HD2 LYS 65 HD2 LYS 65 11.431 -10.968 -19.451 124 HD3 LYS 65 HD3 LYS 65 12.716 -10.290 -18.449 125 HE2 LYS 65 HE2 LYS 65 10.994 -12.542 -17.467 126 HE3 LYS 65 HE3 LYS 65 12.401 -12.846 -18.485 127 HZ1 LYS 65 HZ1 LYS 65 12.568 -11.266 -15.987 128 HZ2 LYS 65 HZ2 LYS 65 13.833 -11.954 -16.872 129 HZ3 LYS 65 HZ3 LYS 65 12.769 -12.945 -16.009 130 H CYS 66 H CYS 66 7.122 -12.097 -17.886 131 HA CYS 66 HA CYS 66 4.607 -10.593 -18.179 132 HB2 CYS 66 HB2 CYS 66 6.136 -12.179 -20.173 133 HB3 CYS 66 HB3 CYS 66 4.384 -12.337 -20.206 134 HG CYS 66 HG CYS 66 6.124 -10.118 -21.685 135 HA PRO 67 HA PRO 67 3.943 -14.480 -15.706 136 HB2 PRO 67 HB2 PRO 67 2.508 -13.273 -13.742 137 HB3 PRO 67 HB3 PRO 67 4.273 -13.379 -13.716 138 HG2 PRO 67 HG2 PRO 67 2.524 -11.093 -14.539 139 HG3 PRO 67 HG3 PRO 67 4.003 -11.075 -13.561 140 HD2 PRO 67 HD2 PRO 67 3.985 -10.409 -16.185 141 HD3 PRO 67 HD3 PRO 67 5.378 -11.189 -15.408 142 H LYS 68 H LYS 68 2.038 -15.670 -15.543 143 HA LYS 68 HA LYS 68 -0.376 -14.418 -16.675 144 HB2 LYS 68 HB2 LYS 68 0.536 -17.250 -17.205 145 HB3 LYS 68 HB3 LYS 68 -0.863 -16.447 -17.903 146 HG2 LYS 68 HG2 LYS 68 2.038 -15.839 -18.411 147 HG3 LYS 68 HG3 LYS 68 0.856 -16.495 -19.547 148 HD2 LYS 68 HD2 LYS 68 -0.305 -14.143 -18.663 149 HD3 LYS 68 HD3 LYS 68 1.406 -13.737 -18.817 150 HE2 LYS 68 HE2 LYS 68 1.390 -13.958 -21.068 151 HE3 LYS 68 HE3 LYS 68 0.242 -15.294 -21.035 152 HZ1 LYS 68 HZ1 LYS 68 -0.660 -12.576 -20.358 153 HZ2 LYS 68 HZ2 LYS 68 -1.548 -13.872 -20.987 154 HZ3 LYS 68 HZ3 LYS 68 -0.479 -13.017 -21.982 155 H LEU 69 H LEU 69 -2.393 -15.403 -16.040 156 HA LEU 69 HA LEU 69 -2.257 -16.448 -13.314 157 HB2 LEU 69 HB2 LEU 69 -4.103 -14.799 -14.828 158 HB3 LEU 69 HB3 LEU 69 -4.927 -16.101 -13.973 159 HG LEU 69 HG LEU 69 -4.174 -15.305 -11.863 160 HD11 LEU 69 HD11 LEU 69 -2.817 -12.971 -12.159 161 HD12 LEU 69 HD12 LEU 69 -2.165 -13.926 -13.492 162 HD13 LEU 69 HD13 LEU 69 -2.069 -14.537 -11.841 163 HD21 LEU 69 HD21 LEU 69 -5.000 -12.947 -13.555 164 HD22 LEU 69 HD22 LEU 69 -5.123 -13.061 -11.799 165 HD23 LEU 69 HD23 LEU 69 -6.090 -14.124 -12.821 166 H LEU 70 H LEU 70 -1.786 -18.608 -13.578 167 HA LEU 70 HA LEU 70 -2.730 -20.386 -15.437 168 HB2 LEU 70 HB2 LEU 70 -1.928 -20.672 -12.577 169 HB3 LEU 70 HB3 LEU 70 -2.602 -22.061 -13.428 170 HG LEU 70 HG LEU 70 -0.153 -20.537 -14.311 171 HD11 LEU 70 HD11 LEU 70 0.542 -21.566 -12.350 172 HD12 LEU 70 HD12 LEU 70 0.944 -22.754 -13.589 173 HD13 LEU 70 HD13 LEU 70 -0.498 -22.968 -12.598 174 HD21 LEU 70 HD21 LEU 70 -1.314 -23.168 -15.222 175 HD22 LEU 70 HD22 LEU 70 0.188 -22.442 -15.795 176 HD23 LEU 70 HD23 LEU 70 -1.355 -21.652 -16.123 177 HA PRO 71 HA PRO 71 -6.999 -21.134 -14.760 178 HB2 PRO 71 HB2 PRO 71 -7.191 -23.825 -15.065 179 HB3 PRO 71 HB3 PRO 71 -6.893 -22.724 -16.414 180 HG2 PRO 71 HG2 PRO 71 -4.948 -24.393 -14.868 181 HG3 PRO 71 HG3 PRO 71 -5.047 -24.123 -16.618 182 HD2 PRO 71 HD2 PRO 71 -3.274 -22.819 -15.040 183 HD3 PRO 71 HD3 PRO 71 -3.985 -22.081 -16.488 184 H CYS 72 H CYS 72 -4.686 -22.333 -12.608 185 HA CYS 72 HA CYS 72 -6.722 -23.382 -10.769 186 HB2 CYS 72 HB2 CYS 72 -3.725 -23.705 -10.878 187 HB3 CYS 72 HB3 CYS 72 -4.673 -24.181 -9.474 188 H LEU 73 H LEU 73 -5.833 -20.493 -11.430 189 HA LEU 73 HA LEU 73 -5.816 -18.522 -10.287 190 HB2 LEU 73 HB2 LEU 73 -6.083 -20.032 -7.712 191 HB3 LEU 73 HB3 LEU 73 -6.646 -18.409 -8.103 192 HG LEU 73 HG LEU 73 -7.847 -21.034 -8.957 193 HD11 LEU 73 HD11 LEU 73 -9.870 -19.762 -7.919 194 HD12 LEU 73 HD12 LEU 73 -8.618 -18.819 -7.113 195 HD13 LEU 73 HD13 LEU 73 -8.699 -20.565 -6.873 196 HD21 LEU 73 HD21 LEU 73 -8.302 -19.941 -10.879 197 HD22 LEU 73 HD22 LEU 73 -8.046 -18.350 -10.165 198 HD23 LEU 73 HD23 LEU 73 -9.569 -19.200 -9.902 199 H HIS 74 H HIS 74 -3.420 -20.222 -10.709 200 HA HIS 74 HA HIS 74 -1.718 -19.447 -8.462 201 HB2 HIS 74 HB2 HIS 74 -1.028 -21.100 -10.899 202 HB3 HIS 74 HB3 HIS 74 -0.027 -20.882 -9.466 203 HD1 HIS 74 HD1 HIS 74 -2.890 -21.233 -7.737 204 HD2 HIS 74 HD2 HIS 74 -0.918 -23.903 -10.236 205 HE1 HIS 74 HE1 HIS 74 -3.677 -23.516 -7.037 206 H THR 75 H THR 75 0.460 -18.549 -9.002 207 HA THR 75 HA THR 75 0.268 -16.645 -11.246 208 HB THR 75 HB THR 75 1.686 -16.141 -8.624 209 HG1 THR 75 HG1 THR 75 -0.918 -15.472 -9.524 210 HG21 THR 75 HG21 THR 75 2.169 -14.955 -10.991 211 HG22 THR 75 HG22 THR 75 2.304 -14.118 -9.444 212 HG23 THR 75 HG23 THR 75 0.842 -13.946 -10.415 213 H LEU 76 H LEU 76 1.646 -17.254 -12.780 214 HA LEU 76 HA LEU 76 4.337 -18.136 -11.965 215 HB2 LEU 76 HB2 LEU 76 2.387 -19.384 -13.705 216 HB3 LEU 76 HB3 LEU 76 3.916 -19.106 -14.534 217 HG LEU 76 HG LEU 76 5.062 -20.350 -12.704 218 HD11 LEU 76 HD11 LEU 76 2.989 -21.876 -11.657 219 HD12 LEU 76 HD12 LEU 76 2.415 -20.212 -11.557 220 HD13 LEU 76 HD13 LEU 76 3.947 -20.662 -10.808 221 HD21 LEU 76 HD21 LEU 76 4.821 -22.278 -13.838 222 HD22 LEU 76 HD22 LEU 76 3.840 -21.293 -14.924 223 HD23 LEU 76 HD23 LEU 76 3.064 -22.276 -13.680 224 H CYS 77 H CYS 77 5.925 -17.900 -13.876 225 HA CYS 77 HA CYS 77 5.634 -15.166 -14.890 226 HB2 CYS 77 HB2 CYS 77 8.050 -15.208 -15.216 227 HB3 CYS 77 HB3 CYS 77 7.651 -15.684 -13.568 228 H SER 78 H SER 78 6.431 -14.692 -17.073 229 HA SER 78 HA SER 78 5.127 -16.101 -19.046 230 HB2 SER 78 HB2 SER 78 5.785 -14.295 -20.194 231 HB3 SER 78 HB3 SER 78 6.944 -13.893 -18.928 232 HG SER 78 HG SER 78 8.334 -14.295 -20.464 233 H GLY 79 H GLY 79 8.619 -16.246 -18.318 234 HA2 GLY 79 HA2 GLY 79 9.344 -18.189 -20.153 235 HA3 GLY 79 HA3 GLY 79 10.144 -17.938 -18.609 236 H CYS 80 H CYS 80 7.669 -18.567 -17.112 237 HA CYS 80 HA CYS 80 8.087 -21.391 -16.915 238 HB2 CYS 80 HB2 CYS 80 6.635 -19.318 -15.416 239 HB3 CYS 80 HB3 CYS 80 5.865 -20.902 -15.393 240 H LEU 81 H LEU 81 5.640 -19.311 -18.316 241 HA LEU 81 HA LEU 81 3.670 -21.294 -18.741 242 HB2 LEU 81 HB2 LEU 81 4.170 -18.534 -19.615 243 HB3 LEU 81 HB3 LEU 81 3.216 -19.506 -20.734 244 HG LEU 81 HG LEU 81 1.747 -18.246 -19.300 245 HD11 LEU 81 HD11 LEU 81 1.801 -21.124 -19.391 246 HD12 LEU 81 HD12 LEU 81 0.430 -20.022 -19.488 247 HD13 LEU 81 HD13 LEU 81 1.021 -20.554 -17.915 248 HD21 LEU 81 HD21 LEU 81 2.990 -17.747 -17.391 249 HD22 LEU 81 HD22 LEU 81 3.405 -19.437 -17.102 250 HD23 LEU 81 HD23 LEU 81 1.761 -18.869 -16.810 251 H GLU 82 H GLU 82 6.307 -20.058 -20.752 252 HA GLU 82 HA GLU 82 5.638 -21.764 -22.970 253 HB2 GLU 82 HB2 GLU 82 6.976 -19.445 -22.832 254 HB3 GLU 82 HB3 GLU 82 8.341 -20.551 -22.766 255 HG2 GLU 82 HG2 GLU 82 7.687 -21.554 -24.859 256 HG3 GLU 82 HG3 GLU 82 6.234 -20.558 -24.913 257 H ALA 83 H ALA 83 8.268 -21.650 -20.576 258 HA ALA 83 HA ALA 83 9.565 -23.998 -21.444 259 HB1 ALA 83 HB1 ALA 83 10.829 -23.878 -19.426 260 HB2 ALA 83 HB2 ALA 83 10.557 -22.227 -19.983 261 HB3 ALA 83 HB3 ALA 83 9.602 -22.876 -18.650 262 H SER 84 H SER 84 7.365 -23.467 -18.687 263 HA SER 84 HA SER 84 7.136 -26.312 -18.229 264 HB2 SER 84 HB2 SER 84 5.277 -24.426 -16.882 265 HB3 SER 84 HB3 SER 84 6.201 -25.771 -16.213 266 HG SER 84 HG SER 84 6.872 -23.551 -15.624 267 H GLY 85 H GLY 85 6.039 -24.703 -20.671 268 HA2 GLY 85 HA2 GLY 85 4.110 -24.647 -21.954 269 HA3 GLY 85 HA3 GLY 85 4.114 -26.362 -21.572 270 H MET 86 H MET 86 3.479 -23.527 -19.522 271 HA MET 86 HA MET 86 1.659 -22.910 -18.304 272 HB2 MET 86 HB2 MET 86 -0.012 -24.818 -19.926 273 HB3 MET 86 HB3 MET 86 -0.512 -23.326 -19.140 274 HG2 MET 86 HG2 MET 86 0.681 -22.010 -20.745 275 HG3 MET 86 HG3 MET 86 1.390 -23.453 -21.466 276 HE1 MET 86 HE1 MET 86 -1.081 -21.055 -23.172 277 HE2 MET 86 HE2 MET 86 -2.457 -21.388 -22.118 278 HE3 MET 86 HE3 MET 86 -0.911 -20.895 -21.424 279 H GLN 87 H GLN 87 3.314 -25.063 -17.441 280 HA GLN 87 HA GLN 87 1.852 -27.272 -16.494 281 HB2 GLN 87 HB2 GLN 87 4.484 -26.613 -16.551 282 HB3 GLN 87 HB3 GLN 87 4.127 -26.368 -14.846 283 HG2 GLN 87 HG2 GLN 87 4.627 -28.545 -14.692 284 HG3 GLN 87 HG3 GLN 87 2.962 -28.761 -15.232 285 HE21 GLN 87 HE21 GLN 87 3.122 -30.587 -16.388 286 HE22 GLN 87 HE22 GLN 87 4.137 -30.792 -17.770 287 H CYS 88 H CYS 88 2.375 -27.447 -13.787 288 HA CYS 88 HA CYS 88 1.025 -25.179 -12.533 289 HB2 CYS 88 HB2 CYS 88 -0.344 -27.535 -13.229 290 HB3 CYS 88 HB3 CYS 88 -0.076 -27.635 -11.492 291 HA PRO 89 HA PRO 89 4.528 -26.964 -10.047 292 HB2 PRO 89 HB2 PRO 89 5.733 -24.575 -9.586 293 HB3 PRO 89 HB3 PRO 89 6.055 -25.552 -11.023 294 HG2 PRO 89 HG2 PRO 89 4.258 -23.179 -10.709 295 HG3 PRO 89 HG3 PRO 89 5.382 -23.565 -12.026 296 HD2 PRO 89 HD2 PRO 89 2.715 -23.995 -12.213 297 HD3 PRO 89 HD3 PRO 89 3.908 -25.031 -13.021 298 H ILE 90 H ILE 90 2.703 -23.953 -9.533 299 HA ILE 90 HA ILE 90 3.017 -23.873 -6.732 300 HB ILE 90 HB ILE 90 0.657 -22.751 -8.231 301 HG12 ILE 90 HG12 ILE 90 2.617 -22.048 -9.446 302 HG13 ILE 90 HG13 ILE 90 2.044 -20.687 -8.489 303 HG21 ILE 90 HG21 ILE 90 0.141 -21.767 -6.309 304 HG22 ILE 90 HG22 ILE 90 1.418 -22.704 -5.536 305 HG23 ILE 90 HG23 ILE 90 1.765 -21.094 -6.167 306 HD11 ILE 90 HD11 ILE 90 4.384 -22.473 -7.881 307 HD12 ILE 90 HD12 ILE 90 4.425 -20.776 -8.361 308 HD13 ILE 90 HD13 ILE 90 3.765 -21.233 -6.791 309 H CYS 91 H CYS 91 1.170 -25.911 -8.712 310 HA CYS 91 HA CYS 91 -1.011 -26.404 -6.944 311 HB2 CYS 91 HB2 CYS 91 -0.209 -27.233 -9.551 312 HB3 CYS 91 HB3 CYS 91 -0.525 -28.676 -8.594 313 H GLN 92 H GLN 92 2.223 -27.122 -6.702 314 HA GLN 92 HA GLN 92 2.311 -29.737 -5.748 315 HB2 GLN 92 HB2 GLN 92 3.984 -27.316 -5.100 316 HB3 GLN 92 HB3 GLN 92 4.335 -28.906 -4.437 317 HG2 GLN 92 HG2 GLN 92 4.011 -28.666 -7.375 318 HG3 GLN 92 HG3 GLN 92 5.479 -28.022 -6.643 319 HE21 GLN 92 HE21 GLN 92 5.579 -30.092 -8.436 320 HE22 GLN 92 HE22 GLN 92 6.056 -31.540 -7.624 321 H ALA 93 H ALA 93 1.442 -26.744 -4.123 322 HA ALA 93 HA ALA 93 0.417 -28.330 -1.880 323 HB1 ALA 93 HB1 ALA 93 2.745 -27.130 -1.523 324 HB2 ALA 93 HB2 ALA 93 1.706 -25.738 -1.217 325 HB3 ALA 93 HB3 ALA 93 1.533 -27.198 -0.244 326 HA PRO 94 HA PRO 94 -3.167 -25.835 -2.441 327 HB2 PRO 94 HB2 PRO 94 -4.311 -26.173 -0.003 328 HB3 PRO 94 HB3 PRO 94 -4.287 -27.438 -1.237 329 HG2 PRO 94 HG2 PRO 94 -2.509 -27.079 1.144 330 HG3 PRO 94 HG3 PRO 94 -3.253 -28.562 0.517 331 HD2 PRO 94 HD2 PRO 94 -0.665 -27.919 0.047 332 HD3 PRO 94 HD3 PRO 94 -1.652 -28.823 -1.120 333 H TRP 95 H TRP 95 -1.533 -23.957 -2.426 334 HA TRP 95 HA TRP 95 -1.272 -22.444 -0.011 335 HB2 TRP 95 HB2 TRP 95 0.067 -21.021 -1.223 336 HB3 TRP 95 HB3 TRP 95 0.185 -22.465 -2.224 337 HD1 TRP 95 HD1 TRP 95 -1.703 -22.485 -4.355 338 HE1 TRP 95 HE1 TRP 95 -2.316 -20.521 -5.903 339 HE3 TRP 95 HE3 TRP 95 -0.102 -18.614 -1.426 340 HZ2 TRP 95 HZ2 TRP 95 -2.143 -17.704 -5.884 341 HZ3 TRP 95 HZ3 TRP 95 -0.362 -16.315 -2.264 342 HH2 TRP 95 HH2 TRP 95 -1.361 -15.872 -4.448 343 HA PRO 96 HA PRO 96 -4.952 -20.055 -0.019 344 HB2 PRO 96 HB2 PRO 96 -4.055 -17.642 0.840 345 HB3 PRO 96 HB3 PRO 96 -4.179 -19.052 1.898 346 HG2 PRO 96 HG2 PRO 96 -1.778 -17.937 0.503 347 HG3 PRO 96 HG3 PRO 96 -1.926 -18.545 2.162 348 HD2 PRO 96 HD2 PRO 96 -0.857 -20.021 0.159 349 HD3 PRO 96 HD3 PRO 96 -1.762 -20.748 1.502 350 H LEU 97 H LEU 97 -5.913 -19.530 -1.884 351 HA LEU 97 HA LEU 97 -4.553 -17.748 -3.764 352 HB2 LEU 97 HB2 LEU 97 -6.331 -18.416 -5.335 353 HB3 LEU 97 HB3 LEU 97 -5.400 -19.779 -4.717 354 HG LEU 97 HG LEU 97 -7.462 -19.815 -2.991 355 HD11 LEU 97 HD11 LEU 97 -9.122 -18.493 -3.647 356 HD12 LEU 97 HD12 LEU 97 -9.319 -19.550 -5.044 357 HD13 LEU 97 HD13 LEU 97 -8.305 -18.113 -5.163 358 HD21 LEU 97 HD21 LEU 97 -7.114 -21.836 -3.934 359 HD22 LEU 97 HD22 LEU 97 -6.851 -21.163 -5.543 360 HD23 LEU 97 HD23 LEU 97 -8.492 -21.365 -4.929 361 H GLY 98 H GLY 98 -6.532 -16.526 -5.092 362 HA2 GLY 98 HA2 GLY 98 -8.495 -15.167 -4.787 363 HA3 GLY 98 HA3 GLY 98 -8.131 -15.104 -3.068 364 H ALA 99 H ALA 99 -5.442 -14.724 -5.141 365 HA ALA 99 HA ALA 99 -5.545 -11.802 -4.762 366 HB1 ALA 99 HB1 ALA 99 -3.889 -12.578 -3.276 367 HB2 ALA 99 HB2 ALA 99 -3.222 -13.687 -4.473 368 HB3 ALA 99 HB3 ALA 99 -3.017 -11.947 -4.673 369 H ASP 100 H ASP 100 -6.613 -12.875 -7.038 370 HA ASP 100 HA ASP 100 -4.837 -13.221 -9.187 371 HB2 ASP 100 HB2 ASP 100 -7.609 -12.052 -9.421 372 HB3 ASP 100 HB3 ASP 100 -6.733 -13.010 -10.612 373 H THR 101 H THR 101 -3.244 -11.676 -9.255 374 HA THR 101 HA THR 101 -4.085 -9.057 -10.245 375 HB THR 101 HB THR 101 -1.825 -9.032 -8.312 376 HG1 THR 101 HG1 THR 101 -4.559 -9.027 -7.495 377 HG21 THR 101 HG21 THR 101 -3.821 -6.967 -8.050 378 HG22 THR 101 HG22 THR 101 -3.330 -7.149 -9.734 379 HG23 THR 101 HG23 THR 101 -2.119 -6.829 -8.493 380 HA PRO 102 HA PRO 102 -0.586 -10.981 -12.634 381 HB2 PRO 102 HB2 PRO 102 -1.714 -10.580 -15.070 382 HB3 PRO 102 HB3 PRO 102 -2.033 -12.015 -14.089 383 HG2 PRO 102 HG2 PRO 102 -3.682 -9.537 -14.416 384 HG3 PRO 102 HG3 PRO 102 -4.203 -11.232 -14.381 385 HD2 PRO 102 HD2 PRO 102 -4.423 -9.595 -12.235 386 HD3 PRO 102 HD3 PRO 102 -4.127 -11.339 -12.080 387 H ALA 103 H ALA 103 0.935 -9.923 -13.965 388 HA ALA 103 HA ALA 103 1.050 -7.084 -13.601 389 HB1 ALA 103 HB1 ALA 103 3.109 -8.215 -13.435 390 HB2 ALA 103 HB2 ALA 103 2.858 -9.060 -14.964 391 HB3 ALA 103 HB3 ALA 103 3.180 -7.325 -14.958 392 H LEU 104 H LEU 104 1.184 -5.491 -15.243 393 HA LEU 104 HA LEU 104 -0.773 -5.545 -17.178 394 HB2 LEU 104 HB2 LEU 104 1.746 -3.933 -16.940 395 HB3 LEU 104 HB3 LEU 104 0.619 -3.690 -18.272 396 HG LEU 104 HG LEU 104 -1.127 -3.370 -16.348 397 HD11 LEU 104 HD11 LEU 104 1.363 -3.569 -14.910 398 HD12 LEU 104 HD12 LEU 104 -0.288 -3.489 -14.297 399 HD13 LEU 104 HD13 LEU 104 0.597 -2.003 -14.642 400 HD21 LEU 104 HD21 LEU 104 0.942 -1.262 -16.960 401 HD22 LEU 104 HD22 LEU 104 -0.706 -0.987 -16.393 402 HD23 LEU 104 HD23 LEU 104 -0.426 -1.675 -17.994 Start of MODEL 5 1 H1 GLU 49 H GLU 49 3.862 3.387 3.419 2 HA GLU 49 HA GLU 49 6.657 3.317 2.797 3 HB2 GLU 49 HB2 GLU 49 5.218 0.802 3.579 4 HB3 GLU 49 HB3 GLU 49 6.527 0.749 2.405 5 HG2 GLU 49 HG2 GLU 49 6.706 1.744 5.239 6 HG3 GLU 49 HG3 GLU 49 7.351 0.228 4.612 7 H GLU 50 H GLU 50 7.073 2.635 0.615 8 HA GLU 50 HA GLU 50 4.679 2.847 -1.076 9 HB2 GLU 50 HB2 GLU 50 6.174 3.622 -2.843 10 HB3 GLU 50 HB3 GLU 50 6.361 4.606 -1.398 11 HG2 GLU 50 HG2 GLU 50 8.329 3.050 -0.846 12 HG3 GLU 50 HG3 GLU 50 8.230 2.569 -2.539 13 H GLU 51 H GLU 51 5.075 1.766 -3.321 14 HA GLU 51 HA GLU 51 6.546 -0.728 -3.170 15 HB2 GLU 51 HB2 GLU 51 3.547 -0.719 -3.561 16 HB3 GLU 51 HB3 GLU 51 4.597 -2.126 -3.667 17 HG2 GLU 51 HG2 GLU 51 5.191 -1.837 -1.301 18 HG3 GLU 51 HG3 GLU 51 4.082 -0.470 -1.208 19 H PHE 52 H PHE 52 5.922 -2.052 -5.293 20 HA PHE 52 HA PHE 52 5.946 -0.113 -7.512 21 HB2 PHE 52 HB2 PHE 52 7.284 -1.928 -8.721 22 HB3 PHE 52 HB3 PHE 52 8.114 -1.047 -7.442 23 HD1 PHE 52 HD2 PHE 52 6.327 -4.205 -8.187 24 HD2 PHE 52 HD1 PHE 52 9.051 -2.174 -5.623 25 HE1 PHE 52 HE2 PHE 52 6.868 -6.335 -7.081 26 HE2 PHE 52 HE1 PHE 52 9.597 -4.300 -4.514 27 HZ PHE 52 HZ PHE 52 8.507 -6.385 -5.242 28 H GLN 53 H GLN 53 5.335 -1.181 -9.653 29 HA GLN 53 HA GLN 53 2.878 -2.715 -9.206 30 HB2 GLN 53 HB2 GLN 53 2.346 -2.009 -11.567 31 HB3 GLN 53 HB3 GLN 53 2.457 -0.700 -10.397 32 HG2 GLN 53 HG2 GLN 53 4.889 -1.412 -11.943 33 HG3 GLN 53 HG3 GLN 53 3.592 -0.548 -12.767 34 HE21 GLN 53 HE21 GLN 53 6.327 0.274 -12.018 35 HE22 GLN 53 HE22 GLN 53 6.134 1.718 -11.091 36 H PHE 54 H PHE 54 4.493 -4.560 -8.870 37 HA PHE 54 HA PHE 54 4.624 -6.049 -11.366 38 HB2 PHE 54 HB2 PHE 54 6.992 -5.118 -9.840 39 HB3 PHE 54 HB3 PHE 54 7.030 -6.784 -10.409 40 HD1 PHE 54 HD1 PHE 54 6.963 -3.264 -11.408 41 HD2 PHE 54 HD2 PHE 54 7.168 -7.296 -12.754 42 HE1 PHE 54 HE1 PHE 54 7.653 -2.481 -13.636 43 HE2 PHE 54 HE2 PHE 54 7.859 -6.521 -14.984 44 HZ PHE 54 HZ PHE 54 8.102 -4.111 -15.428 45 H LEU 55 H LEU 55 5.128 -8.363 -10.992 46 HA LEU 55 HA LEU 55 4.128 -9.214 -8.355 47 HB2 LEU 55 HB2 LEU 55 3.989 -10.860 -10.858 48 HB3 LEU 55 HB3 LEU 55 3.075 -11.054 -9.365 49 HG LEU 55 HG LEU 55 2.707 -8.680 -11.173 50 HD11 LEU 55 HD11 LEU 55 0.539 -10.195 -11.668 51 HD12 LEU 55 HD12 LEU 55 1.763 -11.452 -11.495 52 HD13 LEU 55 HD13 LEU 55 1.975 -10.174 -12.692 53 HD21 LEU 55 HD21 LEU 55 1.392 -8.020 -9.511 54 HD22 LEU 55 HD22 LEU 55 1.644 -9.536 -8.643 55 HD23 LEU 55 HD23 LEU 55 0.356 -9.409 -9.842 56 H ARG 56 H ARG 56 4.691 -11.880 -8.443 57 HA ARG 56 HA ARG 56 7.498 -12.243 -9.079 58 HB2 ARG 56 HB2 ARG 56 7.406 -11.169 -6.799 59 HB3 ARG 56 HB3 ARG 56 6.562 -12.603 -6.232 60 HG2 ARG 56 HG2 ARG 56 8.987 -13.301 -7.633 61 HG3 ARG 56 HG3 ARG 56 9.305 -12.189 -6.299 62 HD2 ARG 56 HD2 ARG 56 7.805 -14.802 -6.133 63 HD3 ARG 56 HD3 ARG 56 9.442 -14.500 -5.549 64 HE ARG 56 HE ARG 56 6.983 -13.794 -4.249 65 HH11 ARG 56 HH11 ARG 56 10.360 -13.019 -4.579 66 HH12 ARG 56 HH12 ARG 56 10.474 -12.267 -3.023 67 HH21 ARG 56 HH21 ARG 56 7.120 -12.808 -2.196 68 HH22 ARG 56 HH22 ARG 56 8.632 -12.149 -1.667 69 H CYS 57 H CYS 57 7.601 -14.162 -10.020 70 HA CYS 57 HA CYS 57 5.611 -16.059 -10.136 71 HB2 CYS 57 HB2 CYS 57 7.730 -15.884 -11.550 72 HB3 CYS 57 HB3 CYS 57 8.540 -16.768 -10.261 73 H GLN 58 H GLN 58 4.729 -17.313 -8.643 74 HA GLN 58 HA GLN 58 5.959 -17.697 -6.082 75 HB2 GLN 58 HB2 GLN 58 3.362 -18.445 -7.343 76 HB3 GLN 58 HB3 GLN 58 3.875 -19.331 -5.913 77 HG2 GLN 58 HG2 GLN 58 3.606 -16.338 -6.074 78 HG3 GLN 58 HG3 GLN 58 2.390 -17.429 -5.413 79 HE21 GLN 58 HE21 GLN 58 5.425 -15.877 -4.905 80 HE22 GLN 58 HE22 GLN 58 5.634 -16.347 -3.256 81 H GLN 59 H GLN 59 6.612 -19.091 -8.934 82 HA GLN 59 HA GLN 59 7.212 -21.708 -7.716 83 HB2 GLN 59 HB2 GLN 59 6.546 -22.787 -9.586 84 HB3 GLN 59 HB3 GLN 59 5.625 -21.317 -9.878 85 HG2 GLN 59 HG2 GLN 59 6.638 -21.309 -11.860 86 HG3 GLN 59 HG3 GLN 59 8.031 -20.683 -10.978 87 HE21 GLN 59 HE21 GLN 59 9.847 -21.851 -10.916 88 HE22 GLN 59 HE22 GLN 59 10.023 -23.444 -11.562 89 H CYS 60 H CYS 60 8.449 -18.913 -9.276 90 HA CYS 60 HA CYS 60 11.081 -20.192 -9.590 91 HB2 CYS 60 HB2 CYS 60 9.730 -17.927 -11.006 92 HB3 CYS 60 HB3 CYS 60 11.488 -17.950 -10.915 93 H GLN 61 H GLN 61 9.301 -17.759 -7.911 94 HA GLN 61 HA GLN 61 9.830 -16.371 -6.190 95 HB2 GLN 61 HB2 GLN 61 12.462 -17.830 -5.996 96 HB3 GLN 61 HB3 GLN 61 11.601 -16.982 -4.719 97 HG2 GLN 61 HG2 GLN 61 9.846 -18.663 -4.761 98 HG3 GLN 61 HG3 GLN 61 10.669 -19.502 -6.075 99 HE21 GLN 61 HE21 GLN 61 11.543 -21.294 -5.341 100 HE22 GLN 61 HE22 GLN 61 12.402 -21.476 -3.854 101 H ALA 62 H ALA 62 10.416 -15.534 -8.826 102 HA ALA 62 HA ALA 62 12.466 -13.539 -8.236 103 HB1 ALA 62 HB1 ALA 62 12.499 -15.109 -10.809 104 HB2 ALA 62 HB2 ALA 62 13.636 -13.857 -10.306 105 HB3 ALA 62 HB3 ALA 62 13.585 -15.398 -9.448 106 H GLU 63 H GLU 63 12.561 -11.998 -10.304 107 HA GLU 63 HA GLU 63 10.013 -10.775 -10.450 108 HB2 GLU 63 HB2 GLU 63 12.636 -10.304 -11.834 109 HB3 GLU 63 HB3 GLU 63 11.200 -9.409 -12.311 110 HG2 GLU 63 HG2 GLU 63 12.041 -7.960 -10.789 111 HG3 GLU 63 HG3 GLU 63 11.059 -8.953 -9.713 112 H ALA 64 H ALA 64 8.380 -11.043 -11.830 113 HA ALA 64 HA ALA 64 8.800 -12.830 -14.128 114 HB1 ALA 64 HB1 ALA 64 6.173 -12.106 -12.847 115 HB2 ALA 64 HB2 ALA 64 6.488 -13.395 -14.009 116 HB3 ALA 64 HB3 ALA 64 7.144 -13.501 -12.376 117 H LYS 65 H LYS 65 9.059 -11.796 -15.990 118 HA LYS 65 HA LYS 65 8.361 -9.106 -16.448 119 HB2 LYS 65 HB2 LYS 65 9.238 -11.375 -18.197 120 HB3 LYS 65 HB3 LYS 65 8.681 -9.876 -18.932 121 HG2 LYS 65 HG2 LYS 65 10.906 -9.438 -18.812 122 HG3 LYS 65 HG3 LYS 65 10.404 -8.815 -17.238 123 HD2 LYS 65 HD2 LYS 65 12.315 -10.136 -16.824 124 HD3 LYS 65 HD3 LYS 65 10.940 -11.117 -16.316 125 HE2 LYS 65 HE2 LYS 65 12.202 -12.631 -17.524 126 HE3 LYS 65 HE3 LYS 65 11.051 -12.061 -18.730 127 HZ1 LYS 65 HZ1 LYS 65 12.648 -10.853 -19.818 128 HZ2 LYS 65 HZ2 LYS 65 13.565 -12.172 -19.289 129 HZ3 LYS 65 HZ3 LYS 65 13.641 -10.700 -18.458 130 H CYS 66 H CYS 66 7.025 -11.968 -18.110 131 HA CYS 66 HA CYS 66 4.450 -10.544 -18.261 132 HB2 CYS 66 HB2 CYS 66 5.970 -12.111 -20.271 133 HB3 CYS 66 HB3 CYS 66 4.224 -12.323 -20.265 134 HG CYS 66 HG CYS 66 3.594 -10.081 -21.391 135 HA PRO 67 HA PRO 67 3.886 -14.416 -15.741 136 HB2 PRO 67 HB2 PRO 67 2.465 -13.212 -13.766 137 HB3 PRO 67 HB3 PRO 67 4.231 -13.290 -13.769 138 HG2 PRO 67 HG2 PRO 67 2.433 -11.040 -14.586 139 HG3 PRO 67 HG3 PRO 67 3.926 -10.989 -13.631 140 HD2 PRO 67 HD2 PRO 67 3.856 -10.351 -16.262 141 HD3 PRO 67 HD3 PRO 67 5.272 -11.101 -15.499 142 H LYS 68 H LYS 68 2.046 -15.667 -15.656 143 HA LYS 68 HA LYS 68 -0.422 -14.454 -16.714 144 HB2 LYS 68 HB2 LYS 68 0.538 -17.268 -17.253 145 HB3 LYS 68 HB3 LYS 68 -0.883 -16.490 -17.936 146 HG2 LYS 68 HG2 LYS 68 2.002 -15.842 -18.480 147 HG3 LYS 68 HG3 LYS 68 0.809 -16.502 -19.602 148 HD2 LYS 68 HD2 LYS 68 -0.429 -14.221 -18.816 149 HD3 LYS 68 HD3 LYS 68 1.263 -13.728 -18.730 150 HE2 LYS 68 HE2 LYS 68 0.050 -15.075 -21.134 151 HE3 LYS 68 HE3 LYS 68 0.114 -13.324 -20.937 152 HZ1 LYS 68 HZ1 LYS 68 2.664 -14.404 -20.446 153 HZ2 LYS 68 HZ2 LYS 68 2.188 -13.337 -21.669 154 HZ3 LYS 68 HZ3 LYS 68 2.101 -15.007 -21.922 155 H LEU 69 H LEU 69 -2.410 -15.474 -16.049 156 HA LEU 69 HA LEU 69 -2.206 -16.558 -13.339 157 HB2 LEU 69 HB2 LEU 69 -4.121 -14.898 -14.788 158 HB3 LEU 69 HB3 LEU 69 -4.878 -16.172 -13.835 159 HG LEU 69 HG LEU 69 -4.803 -14.130 -12.556 160 HD11 LEU 69 HD11 LEU 69 -3.826 -16.586 -11.712 161 HD12 LEU 69 HD12 LEU 69 -4.382 -15.261 -10.691 162 HD13 LEU 69 HD13 LEU 69 -2.670 -15.410 -11.083 163 HD21 LEU 69 HD21 LEU 69 -2.757 -13.274 -13.837 164 HD22 LEU 69 HD22 LEU 69 -1.803 -14.179 -12.661 165 HD23 LEU 69 HD23 LEU 69 -2.874 -12.884 -12.121 166 H LEU 70 H LEU 70 -1.809 -18.718 -13.608 167 HA LEU 70 HA LEU 70 -2.795 -20.447 -15.496 168 HB2 LEU 70 HB2 LEU 70 -1.973 -20.795 -12.650 169 HB3 LEU 70 HB3 LEU 70 -2.680 -22.157 -13.515 170 HG LEU 70 HG LEU 70 -0.213 -20.665 -14.401 171 HD11 LEU 70 HD11 LEU 70 0.855 -22.906 -13.720 172 HD12 LEU 70 HD12 LEU 70 -0.583 -23.115 -12.722 173 HD13 LEU 70 HD13 LEU 70 0.479 -21.732 -12.459 174 HD21 LEU 70 HD21 LEU 70 0.079 -22.552 -15.917 175 HD22 LEU 70 HD22 LEU 70 -1.454 -21.733 -16.216 176 HD23 LEU 70 HD23 LEU 70 -1.428 -23.262 -15.337 177 HA PRO 71 HA PRO 71 -7.069 -21.143 -14.790 178 HB2 PRO 71 HB2 PRO 71 -7.305 -23.829 -15.104 179 HB3 PRO 71 HB3 PRO 71 -7.000 -22.727 -16.452 180 HG2 PRO 71 HG2 PRO 71 -5.070 -24.434 -14.926 181 HG3 PRO 71 HG3 PRO 71 -5.177 -24.154 -16.674 182 HD2 PRO 71 HD2 PRO 71 -3.372 -22.886 -15.103 183 HD3 PRO 71 HD3 PRO 71 -4.083 -22.130 -16.544 184 H CYS 72 H CYS 72 -4.763 -22.348 -12.647 185 HA CYS 72 HA CYS 72 -6.796 -23.399 -10.805 186 HB2 CYS 72 HB2 CYS 72 -3.795 -23.717 -10.896 187 HB3 CYS 72 HB3 CYS 72 -4.767 -24.227 -9.519 188 H LEU 73 H LEU 73 -5.801 -20.513 -11.480 189 HA LEU 73 HA LEU 73 -5.775 -18.540 -10.340 190 HB2 LEU 73 HB2 LEU 73 -6.139 -20.039 -7.770 191 HB3 LEU 73 HB3 LEU 73 -6.647 -18.400 -8.172 192 HG LEU 73 HG LEU 73 -7.917 -21.002 -8.976 193 HD11 LEU 73 HD11 LEU 73 -9.044 -20.457 -7.114 194 HD12 LEU 73 HD12 LEU 73 -9.876 -19.313 -8.168 195 HD13 LEU 73 HD13 LEU 73 -8.528 -18.771 -7.168 196 HD21 LEU 73 HD21 LEU 73 -9.512 -19.220 -10.155 197 HD22 LEU 73 HD22 LEU 73 -8.181 -20.011 -10.999 198 HD23 LEU 73 HD23 LEU 73 -7.973 -18.382 -10.354 199 H HIS 74 H HIS 74 -3.389 -20.058 -10.835 200 HA HIS 74 HA HIS 74 -1.722 -19.423 -8.505 201 HB2 HIS 74 HB2 HIS 74 -1.007 -21.032 -10.964 202 HB3 HIS 74 HB3 HIS 74 -0.026 -20.849 -9.514 203 HD1 HIS 74 HD1 HIS 74 -2.903 -21.216 -7.821 204 HD2 HIS 74 HD2 HIS 74 -0.937 -23.846 -10.367 205 HE1 HIS 74 HE1 HIS 74 -3.718 -23.508 -7.180 206 H THR 75 H THR 75 0.467 -18.526 -8.993 207 HA THR 75 HA THR 75 0.305 -16.554 -11.179 208 HB THR 75 HB THR 75 1.806 -16.158 -8.590 209 HG1 THR 75 HG1 THR 75 0.039 -15.200 -7.779 210 HG21 THR 75 HG21 THR 75 2.656 -14.407 -9.677 211 HG22 THR 75 HG22 THR 75 1.030 -13.726 -9.747 212 HG23 THR 75 HG23 THR 75 1.629 -14.718 -11.076 213 H LEU 76 H LEU 76 1.642 -17.161 -12.753 214 HA LEU 76 HA LEU 76 4.335 -18.096 -12.003 215 HB2 LEU 76 HB2 LEU 76 2.338 -19.292 -13.723 216 HB3 LEU 76 HB3 LEU 76 3.851 -19.013 -14.582 217 HG LEU 76 HG LEU 76 5.018 -20.292 -12.777 218 HD11 LEU 76 HD11 LEU 76 3.903 -20.653 -10.890 219 HD12 LEU 76 HD12 LEU 76 2.954 -21.852 -11.769 220 HD13 LEU 76 HD13 LEU 76 2.368 -20.194 -11.628 221 HD21 LEU 76 HD21 LEU 76 4.786 -22.179 -13.976 222 HD22 LEU 76 HD22 LEU 76 3.779 -21.175 -15.019 223 HD23 LEU 76 HD23 LEU 76 3.031 -22.202 -13.795 224 H CYS 77 H CYS 77 5.901 -17.833 -13.918 225 HA CYS 77 HA CYS 77 5.603 -15.089 -14.904 226 HB2 CYS 77 HB2 CYS 77 8.025 -15.133 -15.243 227 HB3 CYS 77 HB3 CYS 77 7.621 -15.589 -13.591 228 H SER 78 H SER 78 6.404 -14.599 -17.085 229 HA SER 78 HA SER 78 5.104 -16.002 -19.066 230 HB2 SER 78 HB2 SER 78 5.738 -14.152 -20.159 231 HB3 SER 78 HB3 SER 78 6.963 -13.807 -18.938 232 HG SER 78 HG SER 78 8.281 -14.216 -20.532 233 H GLY 79 H GLY 79 8.597 -16.132 -18.343 234 HA2 GLY 79 HA2 GLY 79 9.329 -18.061 -20.189 235 HA3 GLY 79 HA3 GLY 79 10.131 -17.814 -18.644 236 H CYS 80 H CYS 80 7.668 -18.466 -17.143 237 HA CYS 80 HA CYS 80 8.103 -21.284 -16.949 238 HB2 CYS 80 HB2 CYS 80 6.626 -19.225 -15.463 239 HB3 CYS 80 HB3 CYS 80 5.850 -20.805 -15.458 240 H LEU 81 H LEU 81 5.646 -19.232 -18.377 241 HA LEU 81 HA LEU 81 3.702 -21.236 -18.820 242 HB2 LEU 81 HB2 LEU 81 4.133 -18.462 -19.557 243 HB3 LEU 81 HB3 LEU 81 3.388 -19.386 -20.860 244 HG LEU 81 HG LEU 81 1.727 -18.243 -19.469 245 HD11 LEU 81 HD11 LEU 81 0.436 -20.370 -18.810 246 HD12 LEU 81 HD12 LEU 81 1.800 -21.237 -19.514 247 HD13 LEU 81 HD13 LEU 81 0.854 -20.130 -20.507 248 HD21 LEU 81 HD21 LEU 81 2.722 -18.123 -17.342 249 HD22 LEU 81 HD22 LEU 81 2.996 -19.864 -17.279 250 HD23 LEU 81 HD23 LEU 81 1.357 -19.224 -17.153 251 H GLU 82 H GLU 82 6.328 -19.961 -20.830 252 HA GLU 82 HA GLU 82 5.708 -21.685 -23.042 253 HB2 GLU 82 HB2 GLU 82 7.002 -19.365 -22.934 254 HB3 GLU 82 HB3 GLU 82 8.394 -20.424 -22.759 255 HG2 GLU 82 HG2 GLU 82 8.070 -21.391 -24.861 256 HG3 GLU 82 HG3 GLU 82 6.417 -20.791 -24.979 257 H ALA 83 H ALA 83 8.271 -21.575 -20.582 258 HA ALA 83 HA ALA 83 9.602 -23.914 -21.438 259 HB1 ALA 83 HB1 ALA 83 9.582 -22.772 -18.650 260 HB2 ALA 83 HB2 ALA 83 10.816 -23.800 -19.380 261 HB3 ALA 83 HB3 ALA 83 10.578 -22.154 -19.968 262 H SER 84 H SER 84 7.362 -23.393 -18.710 263 HA SER 84 HA SER 84 7.127 -26.239 -18.264 264 HB2 SER 84 HB2 SER 84 6.269 -25.684 -16.240 265 HB3 SER 84 HB3 SER 84 6.903 -24.081 -16.613 266 HG SER 84 HG SER 84 4.816 -23.604 -17.513 267 H GLY 85 H GLY 85 6.055 -24.605 -20.711 268 HA2 GLY 85 HA2 GLY 85 4.145 -24.550 -22.020 269 HA3 GLY 85 HA3 GLY 85 4.152 -26.268 -21.652 270 H MET 86 H MET 86 3.486 -23.467 -19.569 271 HA MET 86 HA MET 86 1.641 -22.864 -18.379 272 HB2 MET 86 HB2 MET 86 -0.045 -24.772 -19.967 273 HB3 MET 86 HB3 MET 86 -0.489 -23.218 -19.274 274 HG2 MET 86 HG2 MET 86 1.445 -22.478 -21.022 275 HG3 MET 86 HG3 MET 86 0.732 -23.855 -21.857 276 HE1 MET 86 HE1 MET 86 -2.625 -22.752 -23.024 277 HE2 MET 86 HE2 MET 86 -1.248 -23.846 -23.155 278 HE3 MET 86 HE3 MET 86 -2.295 -23.910 -21.736 279 H GLN 87 H GLN 87 3.301 -25.015 -17.514 280 HA GLN 87 HA GLN 87 1.834 -27.235 -16.595 281 HB2 GLN 87 HB2 GLN 87 4.470 -26.559 -16.625 282 HB3 GLN 87 HB3 GLN 87 4.094 -26.359 -14.919 283 HG2 GLN 87 HG2 GLN 87 2.988 -28.723 -15.226 284 HG3 GLN 87 HG3 GLN 87 4.107 -28.817 -16.584 285 HE21 GLN 87 HE21 GLN 87 3.764 -28.774 -13.154 286 HE22 GLN 87 HE22 GLN 87 5.408 -29.134 -12.770 287 H CYS 88 H CYS 88 2.350 -27.425 -13.886 288 HA CYS 88 HA CYS 88 0.991 -25.168 -12.623 289 HB2 CYS 88 HB2 CYS 88 -0.375 -27.520 -13.342 290 HB3 CYS 88 HB3 CYS 88 -0.112 -27.634 -11.605 291 HA PRO 89 HA PRO 89 4.484 -26.964 -10.132 292 HB2 PRO 89 HB2 PRO 89 5.678 -24.575 -9.643 293 HB3 PRO 89 HB3 PRO 89 6.011 -25.539 -11.087 294 HG2 PRO 89 HG2 PRO 89 4.204 -23.174 -10.763 295 HG3 PRO 89 HG3 PRO 89 5.337 -23.545 -12.076 296 HD2 PRO 89 HD2 PRO 89 2.673 -23.983 -12.282 297 HD3 PRO 89 HD3 PRO 89 3.873 -25.007 -13.093 298 H ILE 90 H ILE 90 2.661 -23.955 -9.598 299 HA ILE 90 HA ILE 90 2.955 -23.902 -6.796 300 HB ILE 90 HB ILE 90 0.601 -22.771 -8.300 301 HG12 ILE 90 HG12 ILE 90 2.561 -22.044 -9.496 302 HG13 ILE 90 HG13 ILE 90 1.991 -20.698 -8.514 303 HG21 ILE 90 HG21 ILE 90 1.687 -21.132 -6.211 304 HG22 ILE 90 HG22 ILE 90 0.068 -21.809 -6.373 305 HG23 ILE 90 HG23 ILE 90 1.342 -22.748 -5.597 306 HD11 ILE 90 HD11 ILE 90 3.711 -21.259 -6.832 307 HD12 ILE 90 HD12 ILE 90 4.318 -22.508 -7.921 308 HD13 ILE 90 HD13 ILE 90 4.379 -20.812 -8.402 309 H CYS 91 H CYS 91 1.106 -25.913 -8.810 310 HA CYS 91 HA CYS 91 -1.086 -26.426 -7.072 311 HB2 CYS 91 HB2 CYS 91 -0.239 -27.252 -9.662 312 HB3 CYS 91 HB3 CYS 91 -0.546 -28.701 -8.710 313 H GLN 92 H GLN 92 2.161 -27.176 -6.829 314 HA GLN 92 HA GLN 92 2.197 -29.774 -5.822 315 HB2 GLN 92 HB2 GLN 92 3.945 -27.375 -5.367 316 HB3 GLN 92 HB3 GLN 92 4.240 -28.876 -4.499 317 HG2 GLN 92 HG2 GLN 92 3.973 -28.928 -7.466 318 HG3 GLN 92 HG3 GLN 92 5.476 -28.370 -6.734 319 HE21 GLN 92 HE21 GLN 92 4.439 -30.874 -8.239 320 HE22 GLN 92 HE22 GLN 92 5.123 -32.175 -7.332 321 H ALA 93 H ALA 93 1.473 -26.715 -4.238 322 HA ALA 93 HA ALA 93 0.394 -28.217 -1.964 323 HB1 ALA 93 HB1 ALA 93 2.652 -26.352 -1.896 324 HB2 ALA 93 HB2 ALA 93 1.399 -26.028 -0.697 325 HB3 ALA 93 HB3 ALA 93 2.179 -27.609 -0.751 326 HA PRO 94 HA PRO 94 -3.045 -25.519 -2.478 327 HB2 PRO 94 HB2 PRO 94 -4.137 -25.719 -0.001 328 HB3 PRO 94 HB3 PRO 94 -4.223 -27.018 -1.197 329 HG2 PRO 94 HG2 PRO 94 -2.359 -26.699 1.124 330 HG3 PRO 94 HG3 PRO 94 -3.207 -28.151 0.561 331 HD2 PRO 94 HD2 PRO 94 -0.601 -27.680 0.003 332 HD3 PRO 94 HD3 PRO 94 -1.673 -28.555 -1.110 333 H TRP 95 H TRP 95 -1.075 -23.848 -2.437 334 HA TRP 95 HA TRP 95 -0.712 -22.265 -0.126 335 HB2 TRP 95 HB2 TRP 95 0.633 -20.921 -1.436 336 HB3 TRP 95 HB3 TRP 95 0.656 -22.413 -2.372 337 HD1 TRP 95 HD1 TRP 95 -1.667 -22.362 -4.230 338 HE1 TRP 95 HE1 TRP 95 -2.103 -20.478 -5.929 339 HE3 TRP 95 HE3 TRP 95 1.068 -18.640 -2.037 340 HZ2 TRP 95 HZ2 TRP 95 -1.383 -17.773 -6.293 341 HZ3 TRP 95 HZ3 TRP 95 1.143 -16.434 -3.125 342 HH2 TRP 95 HH2 TRP 95 -0.058 -16.012 -5.209 343 HA PRO 96 HA PRO 96 -4.232 -19.648 -0.008 344 HB2 PRO 96 HB2 PRO 96 -3.144 -17.288 0.777 345 HB3 PRO 96 HB3 PRO 96 -3.311 -18.675 1.859 346 HG2 PRO 96 HG2 PRO 96 -0.907 -17.733 0.344 347 HG3 PRO 96 HG3 PRO 96 -1.021 -18.312 2.018 348 HD2 PRO 96 HD2 PRO 96 -0.140 -19.877 -0.008 349 HD3 PRO 96 HD3 PRO 96 -1.028 -20.528 1.384 350 H LEU 97 H LEU 97 -5.264 -19.033 -1.800 351 HA LEU 97 HA LEU 97 -3.878 -17.296 -3.722 352 HB2 LEU 97 HB2 LEU 97 -5.880 -17.960 -5.188 353 HB3 LEU 97 HB3 LEU 97 -4.620 -19.155 -4.883 354 HG LEU 97 HG LEU 97 -6.740 -19.357 -2.930 355 HD11 LEU 97 HD11 LEU 97 -7.766 -18.497 -5.281 356 HD12 LEU 97 HD12 LEU 97 -8.615 -19.550 -4.149 357 HD13 LEU 97 HD13 LEU 97 -7.770 -20.244 -5.533 358 HD21 LEU 97 HD21 LEU 97 -5.873 -21.323 -5.037 359 HD22 LEU 97 HD22 LEU 97 -6.617 -21.663 -3.474 360 HD23 LEU 97 HD23 LEU 97 -4.969 -21.036 -3.550 361 H GLY 98 H GLY 98 -5.793 -16.039 -5.042 362 HA2 GLY 98 HA2 GLY 98 -7.931 -14.984 -3.538 363 HA3 GLY 98 HA3 GLY 98 -6.542 -13.919 -3.374 364 H ALA 99 H ALA 99 -7.083 -15.745 -6.291 365 HA ALA 99 HA ALA 99 -7.416 -15.088 -8.447 366 HB1 ALA 99 HB1 ALA 99 -9.213 -12.870 -7.829 367 HB2 ALA 99 HB2 ALA 99 -9.498 -14.336 -8.768 368 HB3 ALA 99 HB3 ALA 99 -9.634 -14.375 -7.011 369 H ASP 100 H ASP 100 -5.209 -13.881 -7.103 370 HA ASP 100 HA ASP 100 -5.037 -11.105 -7.511 371 HB2 ASP 100 HB2 ASP 100 -3.009 -13.299 -7.214 372 HB3 ASP 100 HB3 ASP 100 -2.491 -11.665 -7.621 373 H THR 101 H THR 101 -5.249 -10.082 -9.380 374 HA THR 101 HA THR 101 -5.089 -11.265 -11.912 375 HB THR 101 HB THR 101 -4.729 -8.734 -12.613 376 HG1 THR 101 HG1 THR 101 -5.713 -7.428 -10.887 377 HG21 THR 101 HG21 THR 101 -7.283 -8.454 -11.928 378 HG22 THR 101 HG22 THR 101 -7.122 -10.181 -11.610 379 HG23 THR 101 HG23 THR 101 -6.777 -9.544 -13.218 380 HA PRO 102 HA PRO 102 -0.839 -11.301 -13.007 381 HB2 PRO 102 HB2 PRO 102 -0.912 -10.568 -15.620 382 HB3 PRO 102 HB3 PRO 102 -1.474 -12.144 -15.049 383 HG2 PRO 102 HG2 PRO 102 -3.061 -9.694 -15.713 384 HG3 PRO 102 HG3 PRO 102 -3.399 -11.388 -16.112 385 HD2 PRO 102 HD2 PRO 102 -4.614 -10.103 -14.062 386 HD3 PRO 102 HD3 PRO 102 -4.253 -11.840 -14.019 387 H ALA 103 H ALA 103 0.720 -9.854 -14.571 388 HA ALA 103 HA ALA 103 0.738 -7.241 -13.279 389 HB1 ALA 103 HB1 ALA 103 2.808 -8.731 -14.877 390 HB2 ALA 103 HB2 ALA 103 3.033 -7.084 -14.287 391 HB3 ALA 103 HB3 ALA 103 2.804 -8.408 -13.144 392 H LEU 104 H LEU 104 1.000 -5.283 -14.439 393 HA LEU 104 HA LEU 104 -0.689 -4.873 -16.572 394 HB2 LEU 104 HB2 LEU 104 1.686 -3.346 -15.571 395 HB3 LEU 104 HB3 LEU 104 0.782 -2.793 -16.979 396 HG LEU 104 HG LEU 104 -1.274 -2.837 -15.462 397 HD11 LEU 104 HD11 LEU 104 -0.874 -3.860 -13.502 398 HD12 LEU 104 HD12 LEU 104 -0.245 -2.284 -13.026 399 HD13 LEU 104 HD13 LEU 104 0.860 -3.545 -13.569 400 HD21 LEU 104 HD21 LEU 104 0.225 -0.843 -16.217 401 HD22 LEU 104 HD22 LEU 104 0.733 -0.831 -14.527 402 HD23 LEU 104 HD23 LEU 104 -0.969 -0.613 -14.939 Start of MODEL 6 1 H1 GLU 49 H GLU 49 5.658 7.701 -10.398 2 HA GLU 49 HA GLU 49 3.835 9.789 -11.365 3 HB2 GLU 49 HB2 GLU 49 5.248 9.756 -13.517 4 HB3 GLU 49 HB3 GLU 49 5.863 10.654 -12.137 5 HG2 GLU 49 HG2 GLU 49 7.691 9.405 -12.024 6 HG3 GLU 49 HG3 GLU 49 6.763 7.908 -12.104 7 H GLU 50 H GLU 50 5.327 6.636 -11.898 8 HA GLU 50 HA GLU 50 3.017 5.895 -13.570 9 HB2 GLU 50 HB2 GLU 50 5.516 5.834 -14.442 10 HB3 GLU 50 HB3 GLU 50 5.536 4.295 -13.593 11 HG2 GLU 50 HG2 GLU 50 4.178 3.293 -15.087 12 HG3 GLU 50 HG3 GLU 50 3.244 4.757 -15.387 13 H GLU 51 H GLU 51 2.660 3.416 -13.507 14 HA GLU 51 HA GLU 51 2.360 2.702 -10.692 15 HB2 GLU 51 HB2 GLU 51 0.804 0.982 -11.507 16 HB3 GLU 51 HB3 GLU 51 0.365 2.583 -12.087 17 HG2 GLU 51 HG2 GLU 51 1.267 2.105 -14.259 18 HG3 GLU 51 HG3 GLU 51 1.898 0.558 -13.698 19 H PHE 52 H PHE 52 2.311 0.064 -10.581 20 HA PHE 52 HA PHE 52 4.902 -0.841 -11.651 21 HB2 PHE 52 HB2 PHE 52 4.547 -0.264 -9.042 22 HB3 PHE 52 HB3 PHE 52 4.017 -1.943 -9.045 23 HD1 PHE 52 HD2 PHE 52 6.834 0.224 -10.141 24 HD2 PHE 52 HD1 PHE 52 5.576 -3.640 -8.878 25 HE1 PHE 52 HE2 PHE 52 9.181 -0.510 -10.063 26 HE2 PHE 52 HE1 PHE 52 7.921 -4.381 -8.798 27 HZ PHE 52 HZ PHE 52 9.727 -2.816 -9.390 28 H GLN 53 H GLN 53 4.349 -2.276 -13.174 29 HA GLN 53 HA GLN 53 2.264 -4.253 -12.543 30 HB2 GLN 53 HB2 GLN 53 2.295 -4.659 -15.049 31 HB3 GLN 53 HB3 GLN 53 1.668 -3.102 -14.523 32 HG2 GLN 53 HG2 GLN 53 4.550 -3.291 -15.205 33 HG3 GLN 53 HG3 GLN 53 3.373 -3.315 -16.518 34 HE21 GLN 53 HE21 GLN 53 5.418 -1.325 -15.373 35 HE22 GLN 53 HE22 GLN 53 4.535 0.157 -15.313 36 H PHE 54 H PHE 54 4.147 -5.164 -11.213 37 HA PHE 54 HA PHE 54 5.350 -7.295 -12.789 38 HB2 PHE 54 HB2 PHE 54 6.877 -5.132 -11.436 39 HB3 PHE 54 HB3 PHE 54 7.506 -6.770 -11.289 40 HD1 PHE 54 HD1 PHE 54 6.639 -4.094 -13.663 41 HD2 PHE 54 HD2 PHE 54 8.536 -7.865 -13.122 42 HE1 PHE 54 HE1 PHE 54 7.668 -3.892 -15.890 43 HE2 PHE 54 HE2 PHE 54 9.568 -7.669 -15.347 44 HZ PHE 54 HZ PHE 54 9.136 -5.680 -16.733 45 H LEU 55 H LEU 55 5.509 -9.187 -11.694 46 HA LEU 55 HA LEU 55 4.998 -9.138 -8.797 47 HB2 LEU 55 HB2 LEU 55 3.421 -10.849 -8.926 48 HB3 LEU 55 HB3 LEU 55 2.998 -9.760 -10.246 49 HG LEU 55 HG LEU 55 4.495 -11.458 -11.630 50 HD11 LEU 55 HD11 LEU 55 5.198 -13.107 -10.269 51 HD12 LEU 55 HD12 LEU 55 3.587 -13.759 -10.564 52 HD13 LEU 55 HD13 LEU 55 3.910 -12.837 -9.095 53 HD21 LEU 55 HD21 LEU 55 2.329 -12.791 -11.980 54 HD22 LEU 55 HD22 LEU 55 2.306 -11.062 -12.329 55 HD23 LEU 55 HD23 LEU 55 1.616 -11.669 -10.823 56 H ARG 56 H ARG 56 5.468 -11.375 -7.821 57 HA ARG 56 HA ARG 56 8.017 -12.320 -8.944 58 HB2 ARG 56 HB2 ARG 56 7.972 -11.277 -6.630 59 HB3 ARG 56 HB3 ARG 56 7.057 -12.684 -6.109 60 HG2 ARG 56 HG2 ARG 56 9.426 -13.484 -7.533 61 HG3 ARG 56 HG3 ARG 56 9.824 -12.402 -6.196 62 HD2 ARG 56 HD2 ARG 56 8.226 -14.954 -6.047 63 HD3 ARG 56 HD3 ARG 56 9.854 -14.690 -5.424 64 HE ARG 56 HE ARG 56 7.378 -13.925 -4.185 65 HH11 ARG 56 HH11 ARG 56 10.786 -13.249 -4.421 66 HH12 ARG 56 HH12 ARG 56 10.880 -12.510 -2.857 67 HH21 ARG 56 HH21 ARG 56 7.490 -12.953 -2.125 68 HH22 ARG 56 HH22 ARG 56 9.005 -12.342 -1.552 69 H CYS 57 H CYS 57 8.022 -14.259 -9.850 70 HA CYS 57 HA CYS 57 5.853 -15.963 -10.036 71 HB2 CYS 57 HB2 CYS 57 8.006 -15.952 -11.418 72 HB3 CYS 57 HB3 CYS 57 8.708 -16.931 -10.134 73 H GLN 58 H GLN 58 4.878 -17.261 -8.639 74 HA GLN 58 HA GLN 58 5.988 -17.723 -6.032 75 HB2 GLN 58 HB2 GLN 58 3.528 -19.050 -7.146 76 HB3 GLN 58 HB3 GLN 58 3.899 -18.677 -5.469 77 HG2 GLN 58 HG2 GLN 58 3.887 -16.207 -6.342 78 HG3 GLN 58 HG3 GLN 58 2.907 -16.897 -7.634 79 HE21 GLN 58 HE21 GLN 58 3.100 -16.219 -4.229 80 HE22 GLN 58 HE22 GLN 58 1.424 -16.454 -3.881 81 H GLN 59 H GLN 59 6.681 -19.110 -8.878 82 HA GLN 59 HA GLN 59 7.145 -21.754 -7.665 83 HB2 GLN 59 HB2 GLN 59 6.469 -22.811 -9.546 84 HB3 GLN 59 HB3 GLN 59 5.588 -21.315 -9.831 85 HG2 GLN 59 HG2 GLN 59 6.603 -21.339 -11.814 86 HG3 GLN 59 HG3 GLN 59 8.000 -20.730 -10.928 87 HE21 GLN 59 HE21 GLN 59 9.790 -21.951 -10.789 88 HE22 GLN 59 HE22 GLN 59 9.951 -23.535 -11.457 89 H CYS 60 H CYS 60 8.494 -19.022 -9.263 90 HA CYS 60 HA CYS 60 11.080 -20.399 -9.542 91 HB2 CYS 60 HB2 CYS 60 9.832 -18.075 -10.959 92 HB3 CYS 60 HB3 CYS 60 11.586 -18.183 -10.867 93 H GLN 61 H GLN 61 9.387 -17.898 -7.871 94 HA GLN 61 HA GLN 61 9.960 -16.545 -6.135 95 HB2 GLN 61 HB2 GLN 61 12.553 -18.072 -5.958 96 HB3 GLN 61 HB3 GLN 61 11.713 -17.213 -4.672 97 HG2 GLN 61 HG2 GLN 61 9.893 -18.854 -4.786 98 HG3 GLN 61 HG3 GLN 61 10.778 -19.728 -6.035 99 HE21 GLN 61 HE21 GLN 61 11.713 -21.469 -5.268 100 HE22 GLN 61 HE22 GLN 61 12.445 -21.640 -3.713 101 H ALA 62 H ALA 62 10.618 -15.782 -8.817 102 HA ALA 62 HA ALA 62 12.713 -13.829 -8.211 103 HB1 ALA 62 HB1 ALA 62 13.885 -14.184 -10.253 104 HB2 ALA 62 HB2 ALA 62 13.720 -15.752 -9.462 105 HB3 ALA 62 HB3 ALA 62 12.673 -15.334 -10.819 106 H GLU 63 H GLU 63 12.842 -12.271 -10.259 107 HA GLU 63 HA GLU 63 10.371 -10.924 -10.360 108 HB2 GLU 63 HB2 GLU 63 12.970 -10.638 -11.826 109 HB3 GLU 63 HB3 GLU 63 11.573 -9.697 -12.330 110 HG2 GLU 63 HG2 GLU 63 11.502 -8.500 -10.344 111 HG3 GLU 63 HG3 GLU 63 12.463 -9.695 -9.476 112 H ALA 64 H ALA 64 8.684 -11.053 -11.707 113 HA ALA 64 HA ALA 64 8.876 -12.940 -13.955 114 HB1 ALA 64 HB1 ALA 64 6.746 -13.617 -13.559 115 HB2 ALA 64 HB2 ALA 64 7.156 -13.087 -11.927 116 HB3 ALA 64 HB3 ALA 64 6.228 -12.030 -12.990 117 H LYS 65 H LYS 65 9.296 -11.873 -15.785 118 HA LYS 65 HA LYS 65 8.683 -9.181 -16.294 119 HB2 LYS 65 HB2 LYS 65 9.399 -11.490 -18.088 120 HB3 LYS 65 HB3 LYS 65 9.073 -9.888 -18.734 121 HG2 LYS 65 HG2 LYS 65 10.962 -8.969 -17.769 122 HG3 LYS 65 HG3 LYS 65 11.086 -10.244 -16.555 123 HD2 LYS 65 HD2 LYS 65 11.428 -10.819 -19.483 124 HD3 LYS 65 HD3 LYS 65 12.774 -10.255 -18.487 125 HE2 LYS 65 HE2 LYS 65 12.593 -12.160 -17.051 126 HE3 LYS 65 HE3 LYS 65 11.094 -12.669 -17.828 127 HZ1 LYS 65 HZ1 LYS 65 13.584 -13.538 -18.469 128 HZ2 LYS 65 HZ2 LYS 65 13.274 -12.388 -19.671 129 HZ3 LYS 65 HZ3 LYS 65 12.211 -13.685 -19.447 130 H CYS 66 H CYS 66 7.308 -11.943 -18.074 131 HA CYS 66 HA CYS 66 4.756 -10.475 -18.176 132 HB2 CYS 66 HB2 CYS 66 6.269 -11.985 -20.240 133 HB3 CYS 66 HB3 CYS 66 4.516 -12.138 -20.269 134 HG CYS 66 HG CYS 66 5.134 -10.219 -22.140 135 HA PRO 67 HA PRO 67 4.088 -14.448 -15.851 136 HB2 PRO 67 HB2 PRO 67 2.648 -13.313 -13.848 137 HB3 PRO 67 HB3 PRO 67 4.413 -13.417 -13.822 138 HG2 PRO 67 HG2 PRO 67 2.662 -11.106 -14.569 139 HG3 PRO 67 HG3 PRO 67 4.138 -11.120 -13.588 140 HD2 PRO 67 HD2 PRO 67 4.124 -10.363 -16.187 141 HD3 PRO 67 HD3 PRO 67 5.516 -11.168 -15.435 142 H LYS 68 H LYS 68 2.038 -15.498 -15.358 143 HA LYS 68 HA LYS 68 -0.321 -14.259 -16.580 144 HB2 LYS 68 HB2 LYS 68 0.605 -17.071 -17.197 145 HB3 LYS 68 HB3 LYS 68 -0.851 -16.298 -17.811 146 HG2 LYS 68 HG2 LYS 68 1.978 -15.448 -18.395 147 HG3 LYS 68 HG3 LYS 68 0.909 -16.333 -19.487 148 HD2 LYS 68 HD2 LYS 68 -0.416 -13.976 -18.537 149 HD3 LYS 68 HD3 LYS 68 1.164 -13.543 -19.196 150 HE2 LYS 68 HE2 LYS 68 0.037 -13.518 -21.150 151 HE3 LYS 68 HE3 LYS 68 0.318 -15.258 -21.091 152 HZ1 LYS 68 HZ1 LYS 68 -2.071 -14.243 -19.754 153 HZ2 LYS 68 HZ2 LYS 68 -1.840 -15.684 -20.611 154 HZ3 LYS 68 HZ3 LYS 68 -2.075 -14.230 -21.446 155 H LEU 69 H LEU 69 -2.338 -15.227 -15.934 156 HA LEU 69 HA LEU 69 -2.172 -16.354 -13.241 157 HB2 LEU 69 HB2 LEU 69 -3.688 -14.344 -14.227 158 HB3 LEU 69 HB3 LEU 69 -4.805 -15.698 -14.385 159 HG LEU 69 HG LEU 69 -3.471 -14.859 -11.812 160 HD11 LEU 69 HD11 LEU 69 -5.553 -13.591 -13.166 161 HD12 LEU 69 HD12 LEU 69 -5.088 -13.378 -11.479 162 HD13 LEU 69 HD13 LEU 69 -6.332 -14.552 -11.909 163 HD21 LEU 69 HD21 LEU 69 -3.993 -17.026 -11.381 164 HD22 LEU 69 HD22 LEU 69 -5.256 -17.086 -12.610 165 HD23 LEU 69 HD23 LEU 69 -5.572 -16.310 -11.058 166 H LEU 70 H LEU 70 -1.800 -18.517 -13.530 167 HA LEU 70 HA LEU 70 -2.821 -20.209 -15.443 168 HB2 LEU 70 HB2 LEU 70 -1.955 -20.607 -12.617 169 HB3 LEU 70 HB3 LEU 70 -2.687 -21.950 -13.493 170 HG LEU 70 HG LEU 70 -0.219 -20.463 -14.387 171 HD11 LEU 70 HD11 LEU 70 -0.583 -22.970 -12.784 172 HD12 LEU 70 HD12 LEU 70 0.460 -21.587 -12.459 173 HD13 LEU 70 HD13 LEU 70 0.857 -22.702 -13.766 174 HD21 LEU 70 HD21 LEU 70 0.030 -22.322 -15.946 175 HD22 LEU 70 HD22 LEU 70 -1.495 -21.475 -16.208 176 HD23 LEU 70 HD23 LEU 70 -1.479 -23.025 -15.362 177 HA PRO 71 HA PRO 71 -7.090 -20.871 -14.677 178 HB2 PRO 71 HB2 PRO 71 -7.358 -23.546 -15.050 179 HB3 PRO 71 HB3 PRO 71 -7.066 -22.416 -16.378 180 HG2 PRO 71 HG2 PRO 71 -5.127 -24.176 -14.928 181 HG3 PRO 71 HG3 PRO 71 -5.262 -23.855 -16.667 182 HD2 PRO 71 HD2 PRO 71 -3.418 -22.642 -15.099 183 HD3 PRO 71 HD3 PRO 71 -4.145 -21.845 -16.509 184 H CYS 72 H CYS 72 -4.755 -22.185 -12.618 185 HA CYS 72 HA CYS 72 -6.765 -23.251 -10.763 186 HB2 CYS 72 HB2 CYS 72 -3.773 -23.597 -10.938 187 HB3 CYS 72 HB3 CYS 72 -4.700 -24.103 -9.530 188 H LEU 73 H LEU 73 -5.849 -20.353 -11.369 189 HA LEU 73 HA LEU 73 -5.827 -18.417 -10.166 190 HB2 LEU 73 HB2 LEU 73 -5.945 -19.974 -7.611 191 HB3 LEU 73 HB3 LEU 73 -6.582 -18.369 -7.962 192 HG LEU 73 HG LEU 73 -7.728 -21.035 -8.762 193 HD11 LEU 73 HD11 LEU 73 -9.522 -19.109 -7.605 194 HD12 LEU 73 HD12 LEU 73 -8.127 -19.368 -6.558 195 HD13 LEU 73 HD13 LEU 73 -9.119 -20.737 -7.062 196 HD21 LEU 73 HD21 LEU 73 -8.132 -19.865 -10.704 197 HD22 LEU 73 HD22 LEU 73 -8.210 -18.309 -9.878 198 HD23 LEU 73 HD23 LEU 73 -9.552 -19.446 -9.744 199 H HIS 74 H HIS 74 -3.453 -20.236 -10.648 200 HA HIS 74 HA HIS 74 -1.653 -19.426 -8.500 201 HB2 HIS 74 HB2 HIS 74 -1.046 -21.071 -10.964 202 HB3 HIS 74 HB3 HIS 74 -0.020 -20.883 -9.545 203 HD1 HIS 74 HD1 HIS 74 -2.839 -21.224 -7.759 204 HD2 HIS 74 HD2 HIS 74 -0.977 -23.881 -10.354 205 HE1 HIS 74 HE1 HIS 74 -3.648 -23.507 -7.079 206 H THR 75 H THR 75 0.509 -18.548 -9.135 207 HA THR 75 HA THR 75 0.276 -16.694 -11.414 208 HB THR 75 HB THR 75 1.859 -15.910 -9.004 209 HG1 THR 75 HG1 THR 75 -0.945 -16.029 -9.204 210 HG21 THR 75 HG21 THR 75 0.123 -14.158 -10.709 211 HG22 THR 75 HG22 THR 75 1.708 -14.678 -11.281 212 HG23 THR 75 HG23 THR 75 1.572 -13.740 -9.795 213 H LEU 76 H LEU 76 1.710 -17.287 -12.901 214 HA LEU 76 HA LEU 76 4.388 -18.127 -12.002 215 HB2 LEU 76 HB2 LEU 76 2.512 -19.343 -13.867 216 HB3 LEU 76 HB3 LEU 76 4.110 -19.098 -14.569 217 HG LEU 76 HG LEU 76 5.081 -20.376 -12.672 218 HD11 LEU 76 HD11 LEU 76 2.860 -21.822 -11.785 219 HD12 LEU 76 HD12 LEU 76 2.394 -20.124 -11.680 220 HD13 LEU 76 HD13 LEU 76 3.847 -20.693 -10.857 221 HD21 LEU 76 HD21 LEU 76 4.885 -22.272 -13.852 222 HD22 LEU 76 HD22 LEU 76 3.930 -21.291 -14.965 223 HD23 LEU 76 HD23 LEU 76 3.124 -22.277 -13.742 224 H CYS 77 H CYS 77 6.040 -17.857 -13.849 225 HA CYS 77 HA CYS 77 5.785 -15.110 -14.820 226 HB2 CYS 77 HB2 CYS 77 8.208 -15.188 -15.133 227 HB3 CYS 77 HB3 CYS 77 7.781 -15.678 -13.497 228 H SER 78 H SER 78 6.808 -14.645 -16.980 229 HA SER 78 HA SER 78 5.435 -15.920 -19.019 230 HB2 SER 78 HB2 SER 78 6.789 -14.668 -20.556 231 HB3 SER 78 HB3 SER 78 6.549 -13.659 -19.130 232 HG SER 78 HG SER 78 8.751 -13.759 -19.930 233 H GLY 79 H GLY 79 8.911 -16.251 -18.264 234 HA2 GLY 79 HA2 GLY 79 9.543 -18.216 -20.106 235 HA3 GLY 79 HA3 GLY 79 10.350 -18.016 -18.557 236 H CYS 80 H CYS 80 7.803 -18.526 -17.104 237 HA CYS 80 HA CYS 80 8.099 -21.362 -16.886 238 HB2 CYS 80 HB2 CYS 80 6.687 -19.226 -15.439 239 HB3 CYS 80 HB3 CYS 80 5.852 -20.776 -15.436 240 H LEU 81 H LEU 81 5.744 -19.191 -18.326 241 HA LEU 81 HA LEU 81 3.733 -21.115 -18.822 242 HB2 LEU 81 HB2 LEU 81 4.288 -18.351 -19.544 243 HB3 LEU 81 HB3 LEU 81 3.481 -19.243 -20.832 244 HG LEU 81 HG LEU 81 1.891 -18.029 -19.426 245 HD11 LEU 81 HD11 LEU 81 1.838 -21.025 -19.406 246 HD12 LEU 81 HD12 LEU 81 0.941 -19.904 -20.431 247 HD13 LEU 81 HD13 LEU 81 0.514 -20.076 -18.728 248 HD21 LEU 81 HD21 LEU 81 3.114 -19.684 -17.234 249 HD22 LEU 81 HD22 LEU 81 1.521 -18.941 -17.090 250 HD23 LEU 81 HD23 LEU 81 2.949 -17.931 -17.321 251 H GLU 82 H GLU 82 6.446 -19.929 -20.764 252 HA GLU 82 HA GLU 82 5.782 -21.584 -23.018 253 HB2 GLU 82 HB2 GLU 82 7.149 -19.325 -22.884 254 HB3 GLU 82 HB3 GLU 82 8.506 -20.416 -22.650 255 HG2 GLU 82 HG2 GLU 82 7.901 -21.561 -24.752 256 HG3 GLU 82 HG3 GLU 82 6.624 -20.370 -24.998 257 H ALA 83 H ALA 83 8.408 -21.588 -20.609 258 HA ALA 83 HA ALA 83 9.609 -23.982 -21.462 259 HB1 ALA 83 HB1 ALA 83 9.643 -22.967 -18.632 260 HB2 ALA 83 HB2 ALA 83 10.878 -23.904 -19.474 261 HB3 ALA 83 HB3 ALA 83 10.585 -22.225 -19.925 262 H SER 84 H SER 84 7.391 -23.402 -18.727 263 HA SER 84 HA SER 84 7.030 -26.246 -18.334 264 HB2 SER 84 HB2 SER 84 6.787 -23.974 -16.708 265 HB3 SER 84 HB3 SER 84 5.145 -24.595 -16.881 266 HG SER 84 HG SER 84 6.996 -25.501 -15.287 267 H GLY 85 H GLY 85 6.010 -24.492 -20.725 268 HA2 GLY 85 HA2 GLY 85 4.083 -24.302 -22.000 269 HA3 GLY 85 HA3 GLY 85 4.030 -26.033 -21.702 270 H MET 86 H MET 86 3.474 -23.265 -19.538 271 HA MET 86 HA MET 86 1.673 -22.653 -18.289 272 HB2 MET 86 HB2 MET 86 -0.124 -24.438 -19.886 273 HB3 MET 86 HB3 MET 86 -0.462 -22.861 -19.187 274 HG2 MET 86 HG2 MET 86 1.458 -22.195 -20.948 275 HG3 MET 86 HG3 MET 86 0.734 -23.572 -21.777 276 HE1 MET 86 HE1 MET 86 -1.512 -23.944 -22.158 277 HE2 MET 86 HE2 MET 86 -2.783 -23.015 -21.362 278 HE3 MET 86 HE3 MET 86 -2.402 -22.715 -23.059 279 H GLN 87 H GLN 87 3.266 -24.895 -17.529 280 HA GLN 87 HA GLN 87 1.739 -27.096 -16.673 281 HB2 GLN 87 HB2 GLN 87 4.396 -26.484 -16.686 282 HB3 GLN 87 HB3 GLN 87 4.026 -26.356 -14.972 283 HG2 GLN 87 HG2 GLN 87 2.839 -28.681 -15.455 284 HG3 GLN 87 HG3 GLN 87 4.041 -28.725 -16.743 285 HE21 GLN 87 HE21 GLN 87 5.577 -30.058 -16.086 286 HE22 GLN 87 HE22 GLN 87 6.374 -30.005 -14.554 287 H CYS 88 H CYS 88 2.265 -27.397 -13.974 288 HA CYS 88 HA CYS 88 0.944 -25.154 -12.639 289 HB2 CYS 88 HB2 CYS 88 -0.428 -27.493 -13.386 290 HB3 CYS 88 HB3 CYS 88 -0.142 -27.641 -11.656 291 HA PRO 89 HA PRO 89 4.473 -26.996 -10.235 292 HB2 PRO 89 HB2 PRO 89 5.673 -24.618 -9.714 293 HB3 PRO 89 HB3 PRO 89 5.987 -25.551 -11.183 294 HG2 PRO 89 HG2 PRO 89 4.183 -23.195 -10.784 295 HG3 PRO 89 HG3 PRO 89 5.296 -23.538 -12.121 296 HD2 PRO 89 HD2 PRO 89 2.630 -23.973 -12.297 297 HD3 PRO 89 HD3 PRO 89 3.820 -24.981 -13.146 298 H ILE 90 H ILE 90 2.628 -24.019 -9.620 299 HA ILE 90 HA ILE 90 2.970 -24.016 -6.819 300 HB ILE 90 HB ILE 90 0.584 -22.864 -8.251 301 HG12 ILE 90 HG12 ILE 90 2.512 -22.125 -9.497 302 HG13 ILE 90 HG13 ILE 90 1.963 -20.790 -8.490 303 HG21 ILE 90 HG21 ILE 90 1.774 -21.279 -6.155 304 HG22 ILE 90 HG22 ILE 90 0.123 -21.874 -6.316 305 HG23 ILE 90 HG23 ILE 90 1.358 -22.893 -5.577 306 HD11 ILE 90 HD11 ILE 90 4.359 -22.549 -8.092 307 HD12 ILE 90 HD12 ILE 90 4.306 -20.804 -8.345 308 HD13 ILE 90 HD13 ILE 90 3.727 -21.493 -6.828 309 H CYS 91 H CYS 91 1.114 -26.003 -8.845 310 HA CYS 91 HA CYS 91 -1.026 -26.564 -7.030 311 HB2 CYS 91 HB2 CYS 91 -0.317 -27.259 -9.713 312 HB3 CYS 91 HB3 CYS 91 -0.657 -28.738 -8.820 313 H GLN 92 H GLN 92 2.199 -27.281 -6.917 314 HA GLN 92 HA GLN 92 2.326 -29.960 -6.160 315 HB2 GLN 92 HB2 GLN 92 4.005 -27.563 -5.479 316 HB3 GLN 92 HB3 GLN 92 4.360 -29.140 -4.787 317 HG2 GLN 92 HG2 GLN 92 4.726 -30.081 -6.955 318 HG3 GLN 92 HG3 GLN 92 4.176 -28.601 -7.739 319 HE21 GLN 92 HE21 GLN 92 5.444 -26.621 -7.157 320 HE22 GLN 92 HE22 GLN 92 7.158 -26.792 -7.034 321 H ALA 93 H ALA 93 1.403 -27.112 -4.342 322 HA ALA 93 HA ALA 93 0.512 -28.859 -2.162 323 HB1 ALA 93 HB1 ALA 93 1.773 -27.924 -0.568 324 HB2 ALA 93 HB2 ALA 93 2.783 -27.362 -1.901 325 HB3 ALA 93 HB3 ALA 93 1.556 -26.298 -1.217 326 HA PRO 94 HA PRO 94 -3.193 -26.506 -2.393 327 HB2 PRO 94 HB2 PRO 94 -4.122 -26.830 0.137 328 HB3 PRO 94 HB3 PRO 94 -4.141 -28.124 -1.066 329 HG2 PRO 94 HG2 PRO 94 -2.194 -27.630 1.153 330 HG3 PRO 94 HG3 PRO 94 -2.920 -29.157 0.622 331 HD2 PRO 94 HD2 PRO 94 -0.410 -28.419 -0.072 332 HD3 PRO 94 HD3 PRO 94 -1.446 -29.393 -1.134 333 H TRP 95 H TRP 95 -1.424 -24.636 -2.449 334 HA TRP 95 HA TRP 95 -1.128 -23.036 -0.127 335 HB2 TRP 95 HB2 TRP 95 0.117 -21.636 -1.443 336 HB3 TRP 95 HB3 TRP 95 0.154 -23.071 -2.463 337 HD1 TRP 95 HD1 TRP 95 -2.021 -23.072 -4.359 338 HE1 TRP 95 HE1 TRP 95 -2.723 -21.102 -5.860 339 HE3 TRP 95 HE3 TRP 95 0.084 -19.242 -1.707 340 HZ2 TRP 95 HZ2 TRP 95 -2.424 -18.295 -5.912 341 HZ3 TRP 95 HZ3 TRP 95 -0.171 -16.943 -2.551 342 HH2 TRP 95 HH2 TRP 95 -1.399 -16.483 -4.610 343 HA PRO 96 HA PRO 96 -4.858 -20.733 0.060 344 HB2 PRO 96 HB2 PRO 96 -3.969 -18.270 0.777 345 HB3 PRO 96 HB3 PRO 96 -3.976 -19.649 1.884 346 HG2 PRO 96 HG2 PRO 96 -1.714 -18.518 0.283 347 HG3 PRO 96 HG3 PRO 96 -1.725 -19.075 1.966 348 HD2 PRO 96 HD2 PRO 96 -0.763 -20.588 -0.064 349 HD3 PRO 96 HD3 PRO 96 -1.547 -21.293 1.364 350 H LEU 97 H LEU 97 -6.166 -19.782 -1.380 351 HA LEU 97 HA LEU 97 -4.949 -18.103 -3.473 352 HB2 LEU 97 HB2 LEU 97 -7.042 -18.957 -4.797 353 HB3 LEU 97 HB3 LEU 97 -5.562 -19.911 -4.717 354 HG LEU 97 HG LEU 97 -7.429 -20.561 -2.581 355 HD11 LEU 97 HD11 LEU 97 -9.208 -21.426 -3.787 356 HD12 LEU 97 HD12 LEU 97 -8.330 -21.373 -5.316 357 HD13 LEU 97 HD13 LEU 97 -8.911 -19.879 -4.582 358 HD21 LEU 97 HD21 LEU 97 -7.041 -22.842 -3.860 359 HD22 LEU 97 HD22 LEU 97 -5.797 -22.133 -2.831 360 HD23 LEU 97 HD23 LEU 97 -5.714 -21.932 -4.582 361 H GLY 98 H GLY 98 -7.082 -17.073 -4.710 362 HA2 GLY 98 HA2 GLY 98 -9.201 -15.980 -4.274 363 HA3 GLY 98 HA3 GLY 98 -8.718 -15.835 -2.590 364 H ALA 99 H ALA 99 -6.084 -15.198 -4.521 365 HA ALA 99 HA ALA 99 -6.680 -12.420 -5.061 366 HB1 ALA 99 HB1 ALA 99 -6.126 -11.972 -2.866 367 HB2 ALA 99 HB2 ALA 99 -4.919 -13.257 -2.797 368 HB3 ALA 99 HB3 ALA 99 -4.575 -11.770 -3.681 369 H ASP 100 H ASP 100 -6.143 -12.858 -7.189 370 HA ASP 100 HA ASP 100 -3.298 -13.451 -7.676 371 HB2 ASP 100 HB2 ASP 100 -5.512 -14.068 -9.626 372 HB3 ASP 100 HB3 ASP 100 -3.852 -14.657 -9.641 373 H THR 101 H THR 101 -2.482 -11.443 -7.960 374 HA THR 101 HA THR 101 -3.812 -9.691 -9.919 375 HB THR 101 HB THR 101 -1.864 -8.156 -8.669 376 HG1 THR 101 HG1 THR 101 -1.680 -9.806 -7.055 377 HG21 THR 101 HG21 THR 101 -3.641 -6.838 -7.999 378 HG22 THR 101 HG22 THR 101 -4.662 -8.225 -7.619 379 HG23 THR 101 HG23 THR 101 -4.373 -7.776 -9.299 380 HA PRO 102 HA PRO 102 -0.034 -11.176 -12.096 381 HB2 PRO 102 HB2 PRO 102 -1.201 -11.203 -14.547 382 HB3 PRO 102 HB3 PRO 102 -1.319 -12.552 -13.412 383 HG2 PRO 102 HG2 PRO 102 -3.296 -10.378 -13.983 384 HG3 PRO 102 HG3 PRO 102 -3.577 -12.115 -13.758 385 HD2 PRO 102 HD2 PRO 102 -4.027 -10.300 -11.799 386 HD3 PRO 102 HD3 PRO 102 -3.492 -11.959 -11.460 387 H ALA 103 H ALA 103 1.278 -10.102 -13.668 388 HA ALA 103 HA ALA 103 0.839 -7.221 -13.705 389 HB1 ALA 103 HB1 ALA 103 3.189 -9.003 -14.080 390 HB2 ALA 103 HB2 ALA 103 3.218 -7.409 -14.837 391 HB3 ALA 103 HB3 ALA 103 3.013 -7.553 -13.091 392 H LEU 104 H LEU 104 0.967 -5.965 -15.619 393 HA LEU 104 HA LEU 104 -0.550 -6.824 -17.756 394 HB2 LEU 104 HB2 LEU 104 1.457 -4.627 -17.440 395 HB3 LEU 104 HB3 LEU 104 0.705 -4.923 -19.007 396 HG LEU 104 HG LEU 104 -0.428 -3.126 -17.837 397 HD11 LEU 104 HD11 LEU 104 -1.697 -4.741 -19.271 398 HD12 LEU 104 HD12 LEU 104 -2.665 -3.898 -18.064 399 HD13 LEU 104 HD13 LEU 104 -2.182 -5.572 -17.793 400 HD21 LEU 104 HD21 LEU 104 -1.306 -3.264 -15.707 401 HD22 LEU 104 HD22 LEU 104 0.188 -4.185 -15.542 402 HD23 LEU 104 HD23 LEU 104 -1.352 -5.027 -15.724 Start of MODEL 7 1 H1 GLU 49 H GLU 49 4.234 10.489 -3.168 2 HA GLU 49 HA GLU 49 5.532 8.056 -2.930 3 HB2 GLU 49 HB2 GLU 49 2.703 8.759 -2.127 4 HB3 GLU 49 HB3 GLU 49 3.579 7.339 -1.573 5 HG2 GLU 49 HG2 GLU 49 4.637 10.108 -1.140 6 HG3 GLU 49 HG3 GLU 49 3.490 9.363 -0.029 7 H GLU 50 H GLU 50 5.748 6.721 -4.633 8 HA GLU 50 HA GLU 50 3.328 5.974 -6.129 9 HB2 GLU 50 HB2 GLU 50 5.399 6.928 -7.317 10 HB3 GLU 50 HB3 GLU 50 6.155 5.379 -6.977 11 HG2 GLU 50 HG2 GLU 50 5.202 5.506 -9.236 12 HG3 GLU 50 HG3 GLU 50 4.487 4.222 -8.263 13 H GLU 51 H GLU 51 3.054 3.729 -6.723 14 HA GLU 51 HA GLU 51 4.231 1.900 -4.735 15 HB2 GLU 51 HB2 GLU 51 1.476 2.056 -5.916 16 HB3 GLU 51 HB3 GLU 51 2.085 0.534 -5.280 17 HG2 GLU 51 HG2 GLU 51 2.650 2.086 -3.198 18 HG3 GLU 51 HG3 GLU 51 1.305 3.011 -3.864 19 H PHE 52 H PHE 52 5.462 0.318 -5.494 20 HA PHE 52 HA PHE 52 6.087 0.007 -8.198 21 HB2 PHE 52 HB2 PHE 52 6.824 -1.245 -5.694 22 HB3 PHE 52 HB3 PHE 52 6.687 -2.443 -6.976 23 HD1 PHE 52 HD2 PHE 52 8.400 0.648 -5.936 24 HD2 PHE 52 HD1 PHE 52 8.284 -2.572 -8.719 25 HE1 PHE 52 HE2 PHE 52 10.624 1.290 -6.768 26 HE2 PHE 52 HE1 PHE 52 10.509 -1.935 -9.553 27 HZ PHE 52 HZ PHE 52 11.682 -0.001 -8.578 28 H GLN 53 H GLN 53 5.389 -1.334 -9.794 29 HA GLN 53 HA GLN 53 3.041 -3.004 -9.178 30 HB2 GLN 53 HB2 GLN 53 2.362 -2.600 -11.554 31 HB3 GLN 53 HB3 GLN 53 2.343 -1.162 -10.541 32 HG2 GLN 53 HG2 GLN 53 4.907 -1.295 -11.681 33 HG3 GLN 53 HG3 GLN 53 3.762 -1.647 -12.974 34 HE21 GLN 53 HE21 GLN 53 1.655 -0.122 -12.481 35 HE22 GLN 53 HE22 GLN 53 2.071 1.554 -12.467 36 H PHE 54 H PHE 54 4.887 -4.560 -8.705 37 HA PHE 54 HA PHE 54 5.368 -6.131 -11.128 38 HB2 PHE 54 HB2 PHE 54 7.674 -6.423 -10.726 39 HB3 PHE 54 HB3 PHE 54 7.398 -4.699 -10.498 40 HD1 PHE 54 HD2 PHE 54 6.603 -4.198 -7.922 41 HD2 PHE 54 HD1 PHE 54 9.134 -7.356 -9.241 42 HE1 PHE 54 HE2 PHE 54 7.598 -4.334 -5.676 43 HE2 PHE 54 HE1 PHE 54 10.132 -7.498 -6.996 44 HZ PHE 54 HZ PHE 54 9.363 -5.986 -5.210 45 H LEU 55 H LEU 55 5.187 -8.296 -10.849 46 HA LEU 55 HA LEU 55 4.383 -9.206 -8.187 47 HB2 LEU 55 HB2 LEU 55 4.220 -10.826 -10.703 48 HB3 LEU 55 HB3 LEU 55 3.271 -10.982 -9.225 49 HG LEU 55 HG LEU 55 3.030 -8.618 -11.074 50 HD11 LEU 55 HD11 LEU 55 0.800 -9.982 -11.583 51 HD12 LEU 55 HD12 LEU 55 1.883 -11.339 -11.281 52 HD13 LEU 55 HD13 LEU 55 2.268 -10.168 -12.541 53 HD21 LEU 55 HD21 LEU 55 0.900 -8.312 -9.944 54 HD22 LEU 55 HD22 LEU 55 2.222 -8.325 -8.777 55 HD23 LEU 55 HD23 LEU 55 1.195 -9.747 -8.962 56 H ARG 56 H ARG 56 4.882 -11.887 -8.335 57 HA ARG 56 HA ARG 56 7.674 -12.318 -8.977 58 HB2 ARG 56 HB2 ARG 56 7.627 -11.247 -6.690 59 HB3 ARG 56 HB3 ARG 56 6.757 -12.665 -6.122 60 HG2 ARG 56 HG2 ARG 56 9.155 -13.405 -7.551 61 HG3 ARG 56 HG3 ARG 56 9.505 -12.315 -6.208 62 HD2 ARG 56 HD2 ARG 56 7.977 -14.911 -6.073 63 HD3 ARG 56 HD3 ARG 56 9.602 -14.616 -5.458 64 HE ARG 56 HE ARG 56 8.078 -12.781 -4.162 65 HH11 ARG 56 HH11 ARG 56 7.903 -16.236 -4.554 66 HH12 ARG 56 HH12 ARG 56 7.143 -16.502 -3.021 67 HH21 ARG 56 HH21 ARG 56 7.079 -13.119 -2.140 68 HH22 ARG 56 HH22 ARG 56 6.674 -14.728 -1.648 69 H CYS 57 H CYS 57 7.704 -14.232 -9.933 70 HA CYS 57 HA CYS 57 5.668 -16.073 -10.038 71 HB2 CYS 57 HB2 CYS 57 7.798 -15.954 -11.450 72 HB3 CYS 57 HB3 CYS 57 8.570 -16.880 -10.167 73 H GLN 58 H GLN 58 4.774 -17.372 -8.590 74 HA GLN 58 HA GLN 58 5.967 -17.763 -6.009 75 HB2 GLN 58 HB2 GLN 58 3.448 -18.908 -7.226 76 HB3 GLN 58 HB3 GLN 58 3.924 -19.097 -5.544 77 HG2 GLN 58 HG2 GLN 58 3.703 -16.356 -6.679 78 HG3 GLN 58 HG3 GLN 58 2.233 -17.239 -6.271 79 HE21 GLN 58 HE21 GLN 58 2.417 -18.346 -4.034 80 HE22 GLN 58 HE22 GLN 58 2.998 -17.332 -2.762 81 H GLN 59 H GLN 59 6.614 -19.164 -8.869 82 HA GLN 59 HA GLN 59 7.198 -21.781 -7.647 83 HB2 GLN 59 HB2 GLN 59 6.546 -22.862 -9.526 84 HB3 GLN 59 HB3 GLN 59 5.606 -21.401 -9.795 85 HG2 GLN 59 HG2 GLN 59 6.599 -21.363 -11.788 86 HG3 GLN 59 HG3 GLN 59 7.992 -20.729 -10.914 87 HE21 GLN 59 HE21 GLN 59 9.815 -21.901 -10.825 88 HE22 GLN 59 HE22 GLN 59 10.005 -23.477 -11.509 89 H CYS 60 H CYS 60 8.450 -19.003 -9.233 90 HA CYS 60 HA CYS 60 11.072 -20.299 -9.548 91 HB2 CYS 60 HB2 CYS 60 9.732 -18.020 -10.948 92 HB3 CYS 60 HB3 CYS 60 11.490 -18.043 -10.854 93 H GLN 61 H GLN 61 9.321 -17.852 -7.855 94 HA GLN 61 HA GLN 61 9.869 -16.485 -6.122 95 HB2 GLN 61 HB2 GLN 61 12.489 -17.964 -5.946 96 HB3 GLN 61 HB3 GLN 61 11.636 -17.121 -4.661 97 HG2 GLN 61 HG2 GLN 61 9.852 -18.794 -4.756 98 HG3 GLN 61 HG3 GLN 61 10.729 -19.645 -6.028 99 HE21 GLN 61 HE21 GLN 61 11.905 -21.287 -5.378 100 HE22 GLN 61 HE22 GLN 61 12.585 -21.498 -3.804 101 H ALA 62 H ALA 62 10.506 -15.700 -8.798 102 HA ALA 62 HA ALA 62 12.563 -13.709 -8.191 103 HB1 ALA 62 HB1 ALA 62 13.599 -15.623 -9.445 104 HB2 ALA 62 HB2 ALA 62 12.561 -15.197 -10.806 105 HB3 ALA 62 HB3 ALA 62 13.757 -14.043 -10.216 106 H GLU 63 H GLU 63 12.662 -12.138 -10.224 107 HA GLU 63 HA GLU 63 10.164 -10.848 -10.333 108 HB2 GLU 63 HB2 GLU 63 12.742 -10.504 -11.832 109 HB3 GLU 63 HB3 GLU 63 11.324 -9.560 -12.265 110 HG2 GLU 63 HG2 GLU 63 12.335 -8.134 -10.809 111 HG3 GLU 63 HG3 GLU 63 11.290 -9.019 -9.700 112 H ALA 64 H ALA 64 8.502 -10.950 -11.727 113 HA ALA 64 HA ALA 64 8.728 -12.861 -13.954 114 HB1 ALA 64 HB1 ALA 64 7.025 -13.136 -12.004 115 HB2 ALA 64 HB2 ALA 64 6.102 -11.920 -12.888 116 HB3 ALA 64 HB3 ALA 64 6.518 -13.449 -13.665 117 H LYS 65 H LYS 65 9.125 -11.836 -15.808 118 HA LYS 65 HA LYS 65 8.506 -9.136 -16.331 119 HB2 LYS 65 HB2 LYS 65 9.367 -11.452 -18.032 120 HB3 LYS 65 HB3 LYS 65 8.908 -9.930 -18.783 121 HG2 LYS 65 HG2 LYS 65 10.653 -8.760 -17.665 122 HG3 LYS 65 HG3 LYS 65 11.017 -10.157 -16.650 123 HD2 LYS 65 HD2 LYS 65 11.250 -10.202 -19.653 124 HD3 LYS 65 HD3 LYS 65 12.588 -9.759 -18.589 125 HE2 LYS 65 HE2 LYS 65 12.258 -11.970 -17.436 126 HE3 LYS 65 HE3 LYS 65 11.131 -12.392 -18.723 127 HZ1 LYS 65 HZ1 LYS 65 13.156 -11.694 -20.209 128 HZ2 LYS 65 HZ2 LYS 65 13.049 -13.251 -19.559 129 HZ3 LYS 65 HZ3 LYS 65 14.041 -12.095 -18.824 130 H CYS 66 H CYS 66 7.126 -12.043 -17.877 131 HA CYS 66 HA CYS 66 4.593 -10.564 -18.154 132 HB2 CYS 66 HB2 CYS 66 6.160 -12.114 -20.133 133 HB3 CYS 66 HB3 CYS 66 4.418 -12.359 -20.164 134 HG CYS 66 HG CYS 66 6.084 -9.413 -20.642 135 HA PRO 67 HA PRO 67 3.936 -14.447 -15.668 136 HB2 PRO 67 HB2 PRO 67 2.511 -13.238 -13.698 137 HB3 PRO 67 HB3 PRO 67 4.276 -13.348 -13.679 138 HG2 PRO 67 HG2 PRO 67 2.530 -11.057 -14.496 139 HG3 PRO 67 HG3 PRO 67 4.012 -11.043 -13.522 140 HD2 PRO 67 HD2 PRO 67 3.986 -10.377 -16.147 141 HD3 PRO 67 HD3 PRO 67 5.379 -11.161 -15.374 142 H LYS 68 H LYS 68 2.031 -15.634 -15.503 143 HA LYS 68 HA LYS 68 -0.385 -14.376 -16.623 144 HB2 LYS 68 HB2 LYS 68 0.526 -17.207 -17.162 145 HB3 LYS 68 HB3 LYS 68 -0.881 -16.407 -17.848 146 HG2 LYS 68 HG2 LYS 68 1.102 -14.710 -18.592 147 HG3 LYS 68 HG3 LYS 68 1.937 -16.265 -18.628 148 HD2 LYS 68 HD2 LYS 68 1.063 -16.076 -20.777 149 HD3 LYS 68 HD3 LYS 68 -0.121 -17.089 -19.947 150 HE2 LYS 68 HE2 LYS 68 -1.250 -15.397 -21.260 151 HE3 LYS 68 HE3 LYS 68 -1.509 -15.100 -19.542 152 HZ1 LYS 68 HZ1 LYS 68 0.774 -13.704 -20.249 153 HZ2 LYS 68 HZ2 LYS 68 -0.743 -13.063 -19.868 154 HZ3 LYS 68 HZ3 LYS 68 -0.347 -13.401 -21.478 155 H LEU 69 H LEU 69 -2.401 -15.349 -15.977 156 HA LEU 69 HA LEU 69 -2.248 -16.431 -13.263 157 HB2 LEU 69 HB2 LEU 69 -4.691 -15.474 -14.739 158 HB3 LEU 69 HB3 LEU 69 -4.525 -15.757 -13.008 159 HG LEU 69 HG LEU 69 -3.073 -13.591 -14.524 160 HD11 LEU 69 HD11 LEU 69 -4.744 -12.131 -14.103 161 HD12 LEU 69 HD12 LEU 69 -5.227 -12.940 -12.611 162 HD13 LEU 69 HD13 LEU 69 -5.726 -13.595 -14.170 163 HD21 LEU 69 HD21 LEU 69 -3.245 -12.917 -11.857 164 HD22 LEU 69 HD22 LEU 69 -1.823 -13.561 -12.678 165 HD23 LEU 69 HD23 LEU 69 -2.916 -14.649 -11.821 166 H LEU 70 H LEU 70 -1.810 -18.594 -13.614 167 HA LEU 70 HA LEU 70 -2.844 -20.307 -15.482 168 HB2 LEU 70 HB2 LEU 70 -1.971 -20.678 -12.652 169 HB3 LEU 70 HB3 LEU 70 -2.700 -22.032 -13.514 170 HG LEU 70 HG LEU 70 -0.246 -20.542 -14.439 171 HD11 LEU 70 HD11 LEU 70 -0.528 -23.126 -12.918 172 HD12 LEU 70 HD12 LEU 70 0.308 -21.661 -12.403 173 HD13 LEU 70 HD13 LEU 70 0.947 -22.616 -13.740 174 HD21 LEU 70 HD21 LEU 70 -1.475 -23.140 -15.356 175 HD22 LEU 70 HD22 LEU 70 0.013 -22.417 -15.970 176 HD23 LEU 70 HD23 LEU 70 -1.534 -21.607 -16.229 177 HA PRO 71 HA PRO 71 -7.106 -20.999 -14.706 178 HB2 PRO 71 HB2 PRO 71 -7.353 -23.683 -15.035 179 HB3 PRO 71 HB3 PRO 71 -7.069 -22.573 -16.380 180 HG2 PRO 71 HG2 PRO 71 -5.118 -24.294 -14.900 181 HG3 PRO 71 HG3 PRO 71 -5.253 -24.002 -16.643 182 HD2 PRO 71 HD2 PRO 71 -3.419 -22.748 -15.095 183 HD3 PRO 71 HD3 PRO 71 -4.152 -21.981 -16.518 184 H CYS 72 H CYS 72 -4.765 -22.238 -12.617 185 HA CYS 72 HA CYS 72 -6.769 -23.293 -10.746 186 HB2 CYS 72 HB2 CYS 72 -3.773 -23.620 -10.901 187 HB3 CYS 72 HB3 CYS 72 -4.712 -24.124 -9.499 188 H LEU 73 H LEU 73 -5.869 -20.402 -11.402 189 HA LEU 73 HA LEU 73 -5.796 -18.439 -10.253 190 HB2 LEU 73 HB2 LEU 73 -6.141 -20.008 -7.714 191 HB3 LEU 73 HB3 LEU 73 -6.586 -18.333 -8.031 192 HG LEU 73 HG LEU 73 -7.978 -20.840 -8.923 193 HD11 LEU 73 HD11 LEU 73 -9.817 -19.023 -8.012 194 HD12 LEU 73 HD12 LEU 73 -8.427 -18.725 -6.968 195 HD13 LEU 73 HD13 LEU 73 -9.121 -20.344 -7.072 196 HD21 LEU 73 HD21 LEU 73 -8.093 -19.678 -10.910 197 HD22 LEU 73 HD22 LEU 73 -8.063 -18.104 -10.117 198 HD23 LEU 73 HD23 LEU 73 -9.527 -19.087 -10.069 199 H HIS 74 H HIS 74 -3.420 -20.039 -10.755 200 HA HIS 74 HA HIS 74 -1.716 -19.383 -8.462 201 HB2 HIS 74 HB2 HIS 74 -1.053 -20.985 -10.942 202 HB3 HIS 74 HB3 HIS 74 -0.032 -20.799 -9.520 203 HD1 HIS 74 HD1 HIS 74 -2.856 -21.170 -7.744 204 HD2 HIS 74 HD2 HIS 74 -0.964 -23.798 -10.346 205 HE1 HIS 74 HE1 HIS 74 -3.649 -23.463 -7.079 206 H THR 75 H THR 75 0.468 -18.488 -8.978 207 HA THR 75 HA THR 75 0.291 -16.521 -11.168 208 HB THR 75 HB THR 75 1.667 -16.127 -8.503 209 HG1 THR 75 HG1 THR 75 -0.513 -15.977 -8.137 210 HG21 THR 75 HG21 THR 75 2.823 -14.669 -9.815 211 HG22 THR 75 HG22 THR 75 1.406 -13.663 -9.517 212 HG23 THR 75 HG23 THR 75 1.542 -14.571 -11.022 213 H LEU 76 H LEU 76 1.600 -17.272 -12.722 214 HA LEU 76 HA LEU 76 4.307 -18.138 -11.941 215 HB2 LEU 76 HB2 LEU 76 2.328 -19.332 -13.687 216 HB3 LEU 76 HB3 LEU 76 3.856 -19.063 -14.523 217 HG LEU 76 HG LEU 76 4.991 -20.345 -12.703 218 HD11 LEU 76 HD11 LEU 76 2.328 -20.224 -11.581 219 HD12 LEU 76 HD12 LEU 76 3.854 -20.675 -10.822 220 HD13 LEU 76 HD13 LEU 76 2.915 -21.883 -11.698 221 HD21 LEU 76 HD21 LEU 76 4.770 -22.213 -13.921 222 HD22 LEU 76 HD22 LEU 76 3.722 -21.232 -14.946 223 HD23 LEU 76 HD23 LEU 76 3.020 -22.268 -13.701 224 H CYS 77 H CYS 77 5.891 -17.885 -13.846 225 HA CYS 77 HA CYS 77 5.610 -15.140 -14.837 226 HB2 CYS 77 HB2 CYS 77 8.033 -15.186 -15.150 227 HB3 CYS 77 HB3 CYS 77 7.617 -15.652 -13.504 228 H SER 78 H SER 78 6.415 -14.650 -17.012 229 HA SER 78 HA SER 78 5.133 -16.046 -19.004 230 HB2 SER 78 HB2 SER 78 5.797 -14.209 -20.100 231 HB3 SER 78 HB3 SER 78 7.001 -13.864 -18.858 232 HG SER 78 HG SER 78 7.802 -14.236 -21.065 233 H GLY 79 H GLY 79 8.621 -16.203 -18.260 234 HA2 GLY 79 HA2 GLY 79 9.354 -18.140 -20.092 235 HA3 GLY 79 HA3 GLY 79 10.140 -17.902 -18.539 236 H CYS 80 H CYS 80 7.665 -18.533 -17.059 237 HA CYS 80 HA CYS 80 8.062 -21.361 -16.886 238 HB2 CYS 80 HB2 CYS 80 6.615 -19.292 -15.375 239 HB3 CYS 80 HB3 CYS 80 5.837 -20.872 -15.368 240 H LEU 81 H LEU 81 5.638 -19.253 -18.285 241 HA LEU 81 HA LEU 81 3.653 -21.218 -18.730 242 HB2 LEU 81 HB2 LEU 81 4.186 -18.460 -19.604 243 HB3 LEU 81 HB3 LEU 81 3.212 -19.424 -20.712 244 HG LEU 81 HG LEU 81 1.766 -18.145 -19.278 245 HD11 LEU 81 HD11 LEU 81 1.047 -20.448 -17.867 246 HD12 LEU 81 HD12 LEU 81 1.786 -21.019 -19.362 247 HD13 LEU 81 HD13 LEU 81 0.422 -19.903 -19.424 248 HD21 LEU 81 HD21 LEU 81 3.493 -19.269 -17.115 249 HD22 LEU 81 HD22 LEU 81 1.818 -18.838 -16.768 250 HD23 LEU 81 HD23 LEU 81 2.939 -17.613 -17.365 251 H GLU 82 H GLU 82 6.297 -19.980 -20.736 252 HA GLU 82 HA GLU 82 5.629 -21.673 -22.962 253 HB2 GLU 82 HB2 GLU 82 6.998 -19.371 -22.796 254 HB3 GLU 82 HB3 GLU 82 8.346 -20.498 -22.736 255 HG2 GLU 82 HG2 GLU 82 7.851 -21.375 -24.855 256 HG3 GLU 82 HG3 GLU 82 6.247 -20.645 -24.872 257 H ALA 83 H ALA 83 8.261 -21.600 -20.567 258 HA ALA 83 HA ALA 83 9.534 -23.955 -21.437 259 HB1 ALA 83 HB1 ALA 83 9.544 -22.801 -18.652 260 HB2 ALA 83 HB2 ALA 83 10.740 -23.891 -19.353 261 HB3 ALA 83 HB3 ALA 83 10.573 -22.248 -19.974 262 H SER 84 H SER 84 7.304 -23.432 -18.704 263 HA SER 84 HA SER 84 7.036 -26.286 -18.297 264 HB2 SER 84 HB2 SER 84 6.750 -24.027 -16.668 265 HB3 SER 84 HB3 SER 84 5.120 -24.678 -16.833 266 HG SER 84 HG SER 84 6.654 -25.531 -15.112 267 H GLY 85 H GLY 85 5.963 -24.599 -20.695 268 HA2 GLY 85 HA2 GLY 85 4.022 -24.463 -21.959 269 HA3 GLY 85 HA3 GLY 85 4.008 -26.191 -21.637 270 H MET 86 H MET 86 3.392 -23.386 -19.535 271 HA MET 86 HA MET 86 1.590 -22.798 -18.278 272 HB2 MET 86 HB2 MET 86 -0.115 -24.657 -19.916 273 HB3 MET 86 HB3 MET 86 -0.580 -23.160 -19.120 274 HG2 MET 86 HG2 MET 86 0.653 -21.864 -20.725 275 HG3 MET 86 HG3 MET 86 1.287 -23.329 -21.471 276 HE1 MET 86 HE1 MET 86 -0.621 -25.296 -22.204 277 HE2 MET 86 HE2 MET 86 -1.513 -24.690 -23.599 278 HE3 MET 86 HE3 MET 86 0.227 -24.425 -23.482 279 H GLN 87 H GLN 87 3.238 -24.987 -17.484 280 HA GLN 87 HA GLN 87 1.763 -27.206 -16.579 281 HB2 GLN 87 HB2 GLN 87 4.404 -26.552 -16.633 282 HB3 GLN 87 HB3 GLN 87 4.053 -26.377 -14.918 283 HG2 GLN 87 HG2 GLN 87 4.477 -28.559 -14.805 284 HG3 GLN 87 HG3 GLN 87 2.863 -28.759 -15.486 285 HE21 GLN 87 HE21 GLN 87 6.259 -28.387 -16.383 286 HE22 GLN 87 HE22 GLN 87 6.170 -29.346 -17.816 287 H CYS 88 H CYS 88 2.321 -27.445 -13.879 288 HA CYS 88 HA CYS 88 0.991 -25.200 -12.561 289 HB2 CYS 88 HB2 CYS 88 -0.400 -27.527 -13.299 290 HB3 CYS 88 HB3 CYS 88 -0.104 -27.685 -11.570 291 HA PRO 89 HA PRO 89 4.513 -27.036 -10.148 292 HB2 PRO 89 HB2 PRO 89 5.704 -24.653 -9.622 293 HB3 PRO 89 HB3 PRO 89 6.022 -25.582 -11.091 294 HG2 PRO 89 HG2 PRO 89 4.210 -23.234 -10.691 295 HG3 PRO 89 HG3 PRO 89 5.326 -23.570 -12.027 296 HD2 PRO 89 HD2 PRO 89 2.662 -24.016 -12.208 297 HD3 PRO 89 HD3 PRO 89 3.857 -25.017 -13.057 298 H ILE 90 H ILE 90 2.632 -24.083 -9.537 299 HA ILE 90 HA ILE 90 2.979 -24.070 -6.734 300 HB ILE 90 HB ILE 90 0.580 -22.945 -8.167 301 HG12 ILE 90 HG12 ILE 90 2.482 -22.177 -9.420 302 HG13 ILE 90 HG13 ILE 90 1.947 -20.853 -8.393 303 HG21 ILE 90 HG21 ILE 90 0.105 -21.972 -6.227 304 HG22 ILE 90 HG22 ILE 90 1.370 -22.958 -5.493 305 HG23 ILE 90 HG23 ILE 90 1.745 -21.338 -6.079 306 HD11 ILE 90 HD11 ILE 90 3.733 -21.515 -6.772 307 HD12 ILE 90 HD12 ILE 90 4.330 -22.634 -7.999 308 HD13 ILE 90 HD13 ILE 90 4.310 -20.899 -8.320 309 H CYS 91 H CYS 91 1.154 -26.086 -8.755 310 HA CYS 91 HA CYS 91 -0.950 -26.680 -6.888 311 HB2 CYS 91 HB2 CYS 91 -0.326 -27.308 -9.627 312 HB3 CYS 91 HB3 CYS 91 -0.722 -28.784 -8.753 313 H GLN 92 H GLN 92 2.252 -27.343 -6.837 314 HA GLN 92 HA GLN 92 2.455 -30.065 -6.261 315 HB2 GLN 92 HB2 GLN 92 4.073 -27.679 -5.403 316 HB3 GLN 92 HB3 GLN 92 4.480 -29.303 -4.863 317 HG2 GLN 92 HG2 GLN 92 5.081 -30.001 -6.977 318 HG3 GLN 92 HG3 GLN 92 4.131 -28.748 -7.774 319 HE21 GLN 92 HE21 GLN 92 6.649 -28.735 -5.272 320 HE22 GLN 92 HE22 GLN 92 7.675 -27.596 -6.070 321 H ALA 93 H ALA 93 1.343 -27.401 -4.315 322 HA ALA 93 HA ALA 93 0.630 -29.303 -2.200 323 HB1 ALA 93 HB1 ALA 93 2.556 -28.349 -1.263 324 HB2 ALA 93 HB2 ALA 93 2.142 -26.734 -1.838 325 HB3 ALA 93 HB3 ALA 93 1.215 -27.469 -0.529 326 HA PRO 94 HA PRO 94 -3.301 -27.345 -2.291 327 HB2 PRO 94 HB2 PRO 94 -4.106 -27.693 0.278 328 HB3 PRO 94 HB3 PRO 94 -4.026 -29.017 -0.890 329 HG2 PRO 94 HG2 PRO 94 -2.071 -28.255 1.245 330 HG3 PRO 94 HG3 PRO 94 -2.648 -29.866 0.778 331 HD2 PRO 94 HD2 PRO 94 -0.253 -28.885 -0.022 332 HD3 PRO 94 HD3 PRO 94 -1.215 -29.993 -1.023 333 H TRP 95 H TRP 95 -1.793 -25.289 -2.480 334 HA TRP 95 HA TRP 95 -1.697 -23.606 -0.158 335 HB2 TRP 95 HB2 TRP 95 -0.373 -22.251 -1.408 336 HB3 TRP 95 HB3 TRP 95 -0.286 -23.655 -2.469 337 HD1 TRP 95 HD1 TRP 95 -2.532 -23.599 -4.354 338 HE1 TRP 95 HE1 TRP 95 -3.150 -21.597 -5.850 339 HE3 TRP 95 HE3 TRP 95 -0.232 -19.875 -1.714 340 HZ2 TRP 95 HZ2 TRP 95 -2.719 -18.807 -5.902 341 HZ3 TRP 95 HZ3 TRP 95 -0.383 -17.567 -2.554 342 HH2 TRP 95 HH2 TRP 95 -1.600 -17.047 -4.605 343 HA PRO 96 HA PRO 96 -5.563 -21.545 -0.390 344 HB2 PRO 96 HB2 PRO 96 -4.895 -18.978 0.193 345 HB3 PRO 96 HB3 PRO 96 -4.884 -20.270 1.398 346 HG2 PRO 96 HG2 PRO 96 -2.600 -19.095 -0.139 347 HG3 PRO 96 HG3 PRO 96 -2.688 -19.529 1.578 348 HD2 PRO 96 HD2 PRO 96 -1.489 -21.109 -0.266 349 HD3 PRO 96 HD3 PRO 96 -2.319 -21.766 1.159 350 H LEU 97 H LEU 97 -6.564 -21.328 -2.296 351 HA LEU 97 HA LEU 97 -5.390 -20.041 -4.551 352 HB2 LEU 97 HB2 LEU 97 -8.190 -21.009 -4.009 353 HB3 LEU 97 HB3 LEU 97 -7.665 -20.348 -5.557 354 HG LEU 97 HG LEU 97 -5.828 -22.321 -5.156 355 HD11 LEU 97 HD11 LEU 97 -8.100 -22.899 -3.456 356 HD12 LEU 97 HD12 LEU 97 -6.537 -23.705 -3.567 357 HD13 LEU 97 HD13 LEU 97 -7.840 -24.157 -4.666 358 HD21 LEU 97 HD21 LEU 97 -6.717 -23.203 -7.046 359 HD22 LEU 97 HD22 LEU 97 -7.585 -21.668 -7.057 360 HD23 LEU 97 HD23 LEU 97 -8.372 -23.123 -6.441 361 H GLY 98 H GLY 98 -6.852 -18.381 -5.788 362 HA2 GLY 98 HA2 GLY 98 -8.054 -16.376 -5.790 363 HA3 GLY 98 HA3 GLY 98 -8.141 -16.455 -4.036 364 H ALA 99 H ALA 99 -6.445 -15.219 -6.754 365 HA ALA 99 HA ALA 99 -5.200 -13.169 -5.325 366 HB1 ALA 99 HB1 ALA 99 -2.790 -13.984 -5.679 367 HB2 ALA 99 HB2 ALA 99 -3.696 -14.634 -4.311 368 HB3 ALA 99 HB3 ALA 99 -3.500 -15.597 -5.775 369 H ASP 100 H ASP 100 -6.637 -13.588 -7.761 370 HA ASP 100 HA ASP 100 -4.941 -13.481 -10.023 371 HB2 ASP 100 HB2 ASP 100 -7.776 -12.500 -9.641 372 HB3 ASP 100 HB3 ASP 100 -6.957 -12.599 -11.197 373 H THR 101 H THR 101 -3.312 -11.983 -9.696 374 HA THR 101 HA THR 101 -4.126 -9.198 -10.052 375 HB THR 101 HB THR 101 -1.895 -9.714 -8.132 376 HG1 THR 101 HG1 THR 101 -3.216 -10.467 -6.671 377 HG21 THR 101 HG21 THR 101 -1.995 -7.498 -7.929 378 HG22 THR 101 HG22 THR 101 -3.687 -7.594 -7.440 379 HG23 THR 101 HG23 THR 101 -3.269 -7.465 -9.148 380 HA PRO 102 HA PRO 102 -0.657 -10.525 -12.840 381 HB2 PRO 102 HB2 PRO 102 -1.755 -9.476 -15.091 382 HB3 PRO 102 HB3 PRO 102 -2.125 -11.105 -14.510 383 HG2 PRO 102 HG2 PRO 102 -3.695 -8.576 -14.187 384 HG3 PRO 102 HG3 PRO 102 -4.268 -10.206 -14.589 385 HD2 PRO 102 HD2 PRO 102 -4.452 -9.170 -12.093 386 HD3 PRO 102 HD3 PRO 102 -4.211 -10.903 -12.392 387 H ALA 103 H ALA 103 0.956 -9.227 -13.717 388 HA ALA 103 HA ALA 103 1.166 -6.596 -12.666 389 HB1 ALA 103 HB1 ALA 103 3.259 -6.526 -14.102 390 HB2 ALA 103 HB2 ALA 103 3.178 -7.797 -12.881 391 HB3 ALA 103 HB3 ALA 103 2.864 -8.180 -14.573 392 H LEU 104 H LEU 104 1.404 -4.620 -13.836 393 HA LEU 104 HA LEU 104 -0.604 -3.972 -15.571 394 HB2 LEU 104 HB2 LEU 104 0.354 -1.915 -15.745 395 HB3 LEU 104 HB3 LEU 104 1.222 -2.533 -14.340 396 HG LEU 104 HG LEU 104 2.267 -2.460 -17.171 397 HD11 LEU 104 HD11 LEU 104 3.741 -0.722 -16.397 398 HD12 LEU 104 HD12 LEU 104 3.081 -0.836 -14.766 399 HD13 LEU 104 HD13 LEU 104 2.071 -0.247 -16.086 400 HD21 LEU 104 HD21 LEU 104 4.379 -2.838 -15.447 401 HD22 LEU 104 HD22 LEU 104 3.629 -4.076 -16.454 402 HD23 LEU 104 HD23 LEU 104 3.121 -3.877 -14.776 Start of MODEL 8 1 H1 GLU 49 H GLU 49 -4.910 0.546 -12.662 2 HA GLU 49 HA GLU 49 -3.891 2.503 -11.542 3 HB2 GLU 49 HB2 GLU 49 -6.350 1.588 -11.087 4 HB3 GLU 49 HB3 GLU 49 -5.698 1.354 -9.472 5 HG2 GLU 49 HG2 GLU 49 -6.753 3.472 -9.511 6 HG3 GLU 49 HG3 GLU 49 -5.013 3.753 -9.486 7 H GLU 50 H GLU 50 -2.192 0.113 -11.050 8 HA GLU 50 HA GLU 50 -1.602 0.381 -8.197 9 HB2 GLU 50 HB2 GLU 50 -1.366 -1.739 -10.126 10 HB3 GLU 50 HB3 GLU 50 0.202 -1.422 -9.399 11 HG2 GLU 50 HG2 GLU 50 -2.351 -2.137 -7.983 12 HG3 GLU 50 HG3 GLU 50 -0.894 -3.118 -8.132 13 H GLU 51 H GLU 51 0.932 0.133 -7.819 14 HA GLU 51 HA GLU 51 2.067 2.574 -8.771 15 HB2 GLU 51 HB2 GLU 51 2.868 0.427 -6.880 16 HB3 GLU 51 HB3 GLU 51 4.155 1.412 -7.561 17 HG2 GLU 51 HG2 GLU 51 3.004 3.432 -6.756 18 HG3 GLU 51 HG3 GLU 51 1.773 2.410 -6.018 19 H PHE 52 H PHE 52 2.331 -0.783 -9.650 20 HA PHE 52 HA PHE 52 3.701 -0.112 -12.076 21 HB2 PHE 52 HB2 PHE 52 5.397 -0.498 -9.995 22 HB3 PHE 52 HB3 PHE 52 5.241 -2.149 -10.587 23 HD1 PHE 52 HD2 PHE 52 5.504 1.206 -12.206 24 HD2 PHE 52 HD1 PHE 52 7.011 -2.762 -11.897 25 HE1 PHE 52 HE2 PHE 52 7.141 1.694 -13.978 26 HE2 PHE 52 HE1 PHE 52 8.651 -2.281 -13.668 27 HZ PHE 52 HZ PHE 52 8.718 -0.051 -14.710 28 H GLN 53 H GLN 53 4.109 -2.089 -13.418 29 HA GLN 53 HA GLN 53 2.035 -4.100 -12.854 30 HB2 GLN 53 HB2 GLN 53 2.185 -4.492 -15.382 31 HB3 GLN 53 HB3 GLN 53 1.413 -3.009 -14.836 32 HG2 GLN 53 HG2 GLN 53 4.320 -2.970 -15.465 33 HG3 GLN 53 HG3 GLN 53 3.153 -2.989 -16.787 34 HE21 GLN 53 HE21 GLN 53 5.043 -0.985 -15.226 35 HE22 GLN 53 HE22 GLN 53 4.084 0.452 -15.204 36 H PHE 54 H PHE 54 3.916 -4.971 -11.495 37 HA PHE 54 HA PHE 54 5.176 -7.083 -13.041 38 HB2 PHE 54 HB2 PHE 54 6.668 -4.862 -11.742 39 HB3 PHE 54 HB3 PHE 54 7.335 -6.482 -11.575 40 HD1 PHE 54 HD1 PHE 54 6.506 -3.797 -13.923 41 HD2 PHE 54 HD2 PHE 54 8.248 -7.653 -13.462 42 HE1 PHE 54 HE1 PHE 54 7.506 -3.609 -16.163 43 HE2 PHE 54 HE2 PHE 54 9.252 -7.471 -15.700 44 HZ PHE 54 HZ PHE 54 8.881 -5.448 -17.055 45 H LEU 55 H LEU 55 5.316 -8.953 -11.928 46 HA LEU 55 HA LEU 55 4.870 -8.859 -9.019 47 HB2 LEU 55 HB2 LEU 55 3.331 -10.626 -9.104 48 HB3 LEU 55 HB3 LEU 55 2.841 -9.513 -10.380 49 HG LEU 55 HG LEU 55 4.320 -11.164 -11.852 50 HD11 LEU 55 HD11 LEU 55 3.708 -12.647 -9.358 51 HD12 LEU 55 HD12 LEU 55 5.078 -12.791 -10.459 52 HD13 LEU 55 HD13 LEU 55 3.525 -13.504 -10.889 53 HD21 LEU 55 HD21 LEU 55 2.142 -12.502 -12.162 54 HD22 LEU 55 HD22 LEU 55 2.119 -10.770 -12.497 55 HD23 LEU 55 HD23 LEU 55 1.461 -11.385 -10.979 56 H ARG 56 H ARG 56 5.308 -11.163 -8.076 57 HA ARG 56 HA ARG 56 7.875 -12.068 -9.197 58 HB2 ARG 56 HB2 ARG 56 7.900 -11.018 -6.910 59 HB3 ARG 56 HB3 ARG 56 6.924 -12.368 -6.347 60 HG2 ARG 56 HG2 ARG 56 9.195 -13.388 -7.735 61 HG3 ARG 56 HG3 ARG 56 9.727 -12.201 -6.543 62 HD2 ARG 56 HD2 ARG 56 8.022 -14.637 -6.057 63 HD3 ARG 56 HD3 ARG 56 9.677 -14.370 -5.511 64 HE ARG 56 HE ARG 56 7.284 -13.433 -4.265 65 HH11 ARG 56 HH11 ARG 56 10.651 -12.722 -4.786 66 HH12 ARG 56 HH12 ARG 56 10.809 -11.774 -3.343 67 HH21 ARG 56 HH21 ARG 56 7.478 -12.187 -2.364 68 HH22 ARG 56 HH22 ARG 56 9.003 -11.471 -1.966 69 H CYS 57 H CYS 57 8.057 -14.107 -9.875 70 HA CYS 57 HA CYS 57 5.841 -15.807 -10.107 71 HB2 CYS 57 HB2 CYS 57 7.990 -15.793 -11.495 72 HB3 CYS 57 HB3 CYS 57 8.707 -16.741 -10.196 73 H GLN 58 H GLN 58 4.898 -17.119 -8.699 74 HA GLN 58 HA GLN 58 6.005 -17.497 -6.077 75 HB2 GLN 58 HB2 GLN 58 3.553 -18.793 -7.275 76 HB3 GLN 58 HB3 GLN 58 3.941 -18.645 -5.566 77 HG2 GLN 58 HG2 GLN 58 3.459 -16.302 -7.387 78 HG3 GLN 58 HG3 GLN 58 2.218 -17.051 -6.384 79 HE21 GLN 58 HE21 GLN 58 3.364 -17.482 -4.041 80 HE22 GLN 58 HE22 GLN 58 3.935 -16.016 -3.329 81 H GLN 59 H GLN 59 6.741 -18.924 -8.897 82 HA GLN 59 HA GLN 59 7.282 -21.527 -7.625 83 HB2 GLN 59 HB2 GLN 59 6.644 -22.647 -9.486 84 HB3 GLN 59 HB3 GLN 59 5.706 -21.190 -9.790 85 HG2 GLN 59 HG2 GLN 59 6.711 -21.207 -11.779 86 HG3 GLN 59 HG3 GLN 59 8.090 -20.535 -10.912 87 HE21 GLN 59 HE21 GLN 59 9.920 -21.698 -10.741 88 HE22 GLN 59 HE22 GLN 59 10.136 -23.283 -11.394 89 H CYS 60 H CYS 60 8.548 -18.799 -9.300 90 HA CYS 60 HA CYS 60 11.173 -20.105 -9.547 91 HB2 CYS 60 HB2 CYS 60 9.859 -17.847 -11.012 92 HB3 CYS 60 HB3 CYS 60 11.616 -17.908 -10.922 93 H GLN 61 H GLN 61 9.411 -17.624 -7.922 94 HA GLN 61 HA GLN 61 9.949 -16.217 -6.219 95 HB2 GLN 61 HB2 GLN 61 12.580 -17.676 -6.021 96 HB3 GLN 61 HB3 GLN 61 11.736 -16.797 -4.753 97 HG2 GLN 61 HG2 GLN 61 9.934 -18.480 -4.833 98 HG3 GLN 61 HG3 GLN 61 10.868 -19.381 -6.026 99 HE21 GLN 61 HE21 GLN 61 12.053 -20.963 -5.252 100 HE22 GLN 61 HE22 GLN 61 12.675 -21.082 -3.645 101 H ALA 62 H ALA 62 10.545 -15.454 -8.894 102 HA ALA 62 HA ALA 62 12.587 -13.436 -8.341 103 HB1 ALA 62 HB1 ALA 62 13.811 -13.811 -10.327 104 HB2 ALA 62 HB2 ALA 62 13.628 -15.389 -9.560 105 HB3 ALA 62 HB3 ALA 62 12.615 -14.954 -10.937 106 H GLU 63 H GLU 63 12.663 -11.894 -10.382 107 HA GLU 63 HA GLU 63 10.151 -10.648 -10.536 108 HB2 GLU 63 HB2 GLU 63 12.741 -10.307 -12.008 109 HB3 GLU 63 HB3 GLU 63 11.313 -9.421 -12.527 110 HG2 GLU 63 HG2 GLU 63 12.228 -7.896 -11.114 111 HG3 GLU 63 HG3 GLU 63 11.196 -8.770 -9.984 112 H ALA 64 H ALA 64 8.474 -10.861 -11.885 113 HA ALA 64 HA ALA 64 8.743 -12.778 -14.102 114 HB1 ALA 64 HB1 ALA 64 6.444 -13.299 -13.861 115 HB2 ALA 64 HB2 ALA 64 7.134 -13.298 -12.238 116 HB3 ALA 64 HB3 ALA 64 6.174 -11.925 -12.788 117 H LYS 65 H LYS 65 9.096 -11.720 -15.951 118 HA LYS 65 HA LYS 65 8.347 -9.065 -16.485 119 HB2 LYS 65 HB2 LYS 65 9.282 -11.357 -18.172 120 HB3 LYS 65 HB3 LYS 65 8.711 -9.886 -18.947 121 HG2 LYS 65 HG2 LYS 65 10.473 -8.632 -18.181 122 HG3 LYS 65 HG3 LYS 65 10.759 -9.686 -16.793 123 HD2 LYS 65 HD2 LYS 65 11.267 -10.501 -19.651 124 HD3 LYS 65 HD3 LYS 65 12.501 -9.815 -18.592 125 HE2 LYS 65 HE2 LYS 65 11.665 -11.745 -16.984 126 HE3 LYS 65 HE3 LYS 65 11.183 -12.479 -18.512 127 HZ1 LYS 65 HZ1 LYS 65 13.912 -11.424 -18.092 128 HZ2 LYS 65 HZ2 LYS 65 13.377 -12.520 -19.264 129 HZ3 LYS 65 HZ3 LYS 65 13.494 -13.003 -17.647 130 H CYS 66 H CYS 66 7.121 -11.914 -18.237 131 HA CYS 66 HA CYS 66 4.505 -10.568 -18.386 132 HB2 CYS 66 HB2 CYS 66 6.084 -12.119 -20.371 133 HB3 CYS 66 HB3 CYS 66 4.337 -12.333 -20.398 134 HG CYS 66 HG CYS 66 4.643 -10.488 -22.315 135 HA PRO 67 HA PRO 67 3.975 -14.444 -15.873 136 HB2 PRO 67 HB2 PRO 67 2.471 -13.271 -13.942 137 HB3 PRO 67 HB3 PRO 67 4.237 -13.300 -13.897 138 HG2 PRO 67 HG2 PRO 67 2.401 -11.105 -14.773 139 HG3 PRO 67 HG3 PRO 67 3.868 -11.008 -13.781 140 HD2 PRO 67 HD2 PRO 67 3.848 -10.384 -16.416 141 HD3 PRO 67 HD3 PRO 67 5.263 -11.091 -15.612 142 H LYS 68 H LYS 68 1.975 -15.567 -15.368 143 HA LYS 68 HA LYS 68 -0.434 -14.479 -16.630 144 HB2 LYS 68 HB2 LYS 68 0.668 -17.237 -17.202 145 HB3 LYS 68 HB3 LYS 68 -0.858 -16.596 -17.797 146 HG2 LYS 68 HG2 LYS 68 1.826 -15.391 -18.430 147 HG3 LYS 68 HG3 LYS 68 1.000 -16.568 -19.453 148 HD2 LYS 68 HD2 LYS 68 -0.914 -15.028 -19.640 149 HD3 LYS 68 HD3 LYS 68 -0.037 -13.845 -18.665 150 HE2 LYS 68 HE2 LYS 68 0.775 -14.922 -21.363 151 HE3 LYS 68 HE3 LYS 68 0.175 -13.301 -21.014 152 HZ1 LYS 68 HZ1 LYS 68 2.237 -13.418 -19.350 153 HZ2 LYS 68 HZ2 LYS 68 2.364 -12.847 -20.937 154 HZ3 LYS 68 HZ3 LYS 68 2.813 -14.436 -20.573 155 H LEU 69 H LEU 69 -2.402 -15.537 -15.965 156 HA LEU 69 HA LEU 69 -2.190 -16.581 -13.247 157 HB2 LEU 69 HB2 LEU 69 -4.332 -15.279 -14.853 158 HB3 LEU 69 HB3 LEU 69 -4.801 -16.331 -13.519 159 HG LEU 69 HG LEU 69 -3.065 -13.874 -13.289 160 HD11 LEU 69 HD11 LEU 69 -4.948 -12.827 -12.240 161 HD12 LEU 69 HD12 LEU 69 -5.895 -14.310 -12.354 162 HD13 LEU 69 HD13 LEU 69 -5.453 -13.432 -13.819 163 HD21 LEU 69 HD21 LEU 69 -3.476 -14.232 -10.841 164 HD22 LEU 69 HD22 LEU 69 -2.423 -15.424 -11.605 165 HD23 LEU 69 HD23 LEU 69 -4.102 -15.829 -11.249 166 H LEU 70 H LEU 70 -2.110 -18.709 -13.003 167 HA LEU 70 HA LEU 70 -2.576 -20.639 -14.910 168 HB2 LEU 70 HB2 LEU 70 -2.574 -20.663 -11.928 169 HB3 LEU 70 HB3 LEU 70 -3.075 -22.111 -12.798 170 HG LEU 70 HG LEU 70 -0.729 -22.223 -12.129 171 HD11 LEU 70 HD11 LEU 70 0.222 -22.758 -14.329 172 HD12 LEU 70 HD12 LEU 70 -1.142 -21.950 -15.102 173 HD13 LEU 70 HD13 LEU 70 -1.409 -23.399 -14.134 174 HD21 LEU 70 HD21 LEU 70 -0.331 -19.841 -13.935 175 HD22 LEU 70 HD22 LEU 70 0.924 -20.729 -13.072 176 HD23 LEU 70 HD23 LEU 70 -0.275 -19.801 -12.173 177 HA PRO 71 HA PRO 71 -6.903 -21.218 -15.355 178 HB2 PRO 71 HB2 PRO 71 -7.130 -23.920 -15.485 179 HB3 PRO 71 HB3 PRO 71 -6.433 -22.951 -16.788 180 HG2 PRO 71 HG2 PRO 71 -5.049 -24.520 -14.647 181 HG3 PRO 71 HG3 PRO 71 -4.665 -24.405 -16.375 182 HD2 PRO 71 HD2 PRO 71 -3.319 -23.008 -14.486 183 HD3 PRO 71 HD3 PRO 71 -3.583 -22.385 -16.126 184 H CYS 72 H CYS 72 -5.301 -22.290 -12.574 185 HA CYS 72 HA CYS 72 -7.819 -23.071 -11.269 186 HB2 CYS 72 HB2 CYS 72 -5.086 -23.423 -10.063 187 HB3 CYS 72 HB3 CYS 72 -6.572 -24.298 -9.702 188 H LEU 73 H LEU 73 -4.804 -21.566 -10.115 189 HA LEU 73 HA LEU 73 -5.775 -19.037 -9.559 190 HB2 LEU 73 HB2 LEU 73 -6.020 -19.311 -7.025 191 HB3 LEU 73 HB3 LEU 73 -7.369 -19.793 -8.053 192 HG LEU 73 HG LEU 73 -5.643 -22.042 -7.559 193 HD11 LEU 73 HD11 LEU 73 -6.904 -21.282 -5.014 194 HD12 LEU 73 HD12 LEU 73 -5.464 -20.365 -5.451 195 HD13 LEU 73 HD13 LEU 73 -5.385 -22.122 -5.328 196 HD21 LEU 73 HD21 LEU 73 -8.106 -22.364 -6.270 197 HD22 LEU 73 HD22 LEU 73 -7.657 -22.921 -7.882 198 HD23 LEU 73 HD23 LEU 73 -8.431 -21.348 -7.675 199 H HIS 74 H HIS 74 -3.420 -19.705 -10.473 200 HA HIS 74 HA HIS 74 -1.595 -19.135 -8.243 201 HB2 HIS 74 HB2 HIS 74 -0.687 -20.878 -10.505 202 HB3 HIS 74 HB3 HIS 74 -0.037 -20.746 -8.874 203 HD1 HIS 74 HD1 HIS 74 -1.486 -21.917 -6.960 204 HD2 HIS 74 HD2 HIS 74 -2.529 -22.873 -10.866 205 HE1 HIS 74 HE1 HIS 74 -2.896 -23.993 -6.790 206 H THR 75 H THR 75 0.526 -18.262 -9.024 207 HA THR 75 HA THR 75 0.176 -16.690 -11.492 208 HB THR 75 HB THR 75 1.727 -15.625 -9.151 209 HG1 THR 75 HG1 THR 75 -0.293 -14.464 -8.664 210 HG21 THR 75 HG21 THR 75 0.162 -14.154 -11.261 211 HG22 THR 75 HG22 THR 75 1.845 -14.632 -11.483 212 HG23 THR 75 HG23 THR 75 1.407 -13.519 -10.187 213 H LEU 76 H LEU 76 1.649 -17.228 -12.952 214 HA LEU 76 HA LEU 76 4.330 -18.022 -12.021 215 HB2 LEU 76 HB2 LEU 76 2.467 -19.322 -13.821 216 HB3 LEU 76 HB3 LEU 76 4.027 -19.038 -14.588 217 HG LEU 76 HG LEU 76 5.109 -20.242 -12.699 218 HD11 LEU 76 HD11 LEU 76 3.957 -20.624 -10.845 219 HD12 LEU 76 HD12 LEU 76 2.931 -21.741 -11.744 220 HD13 LEU 76 HD13 LEU 76 2.474 -20.043 -11.604 221 HD21 LEU 76 HD21 LEU 76 3.146 -22.184 -13.735 222 HD22 LEU 76 HD22 LEU 76 4.909 -22.214 -13.779 223 HD23 LEU 76 HD23 LEU 76 4.014 -21.237 -14.945 224 H CYS 77 H CYS 77 5.986 -17.792 -13.878 225 HA CYS 77 HA CYS 77 5.710 -15.072 -14.922 226 HB2 CYS 77 HB2 CYS 77 8.132 -15.112 -15.192 227 HB3 CYS 77 HB3 CYS 77 7.697 -15.587 -13.553 228 H SER 78 H SER 78 6.564 -14.606 -17.090 229 HA SER 78 HA SER 78 5.302 -16.027 -19.085 230 HB2 SER 78 HB2 SER 78 5.944 -14.137 -20.114 231 HB3 SER 78 HB3 SER 78 7.237 -13.866 -18.945 232 HG SER 78 HG SER 78 8.471 -14.317 -20.590 233 H GLY 79 H GLY 79 8.771 -16.164 -18.259 234 HA2 GLY 79 HA2 GLY 79 9.550 -18.105 -20.078 235 HA3 GLY 79 HA3 GLY 79 10.312 -17.848 -18.514 236 H CYS 80 H CYS 80 7.788 -18.482 -17.091 237 HA CYS 80 HA CYS 80 8.217 -21.302 -16.864 238 HB2 CYS 80 HB2 CYS 80 6.694 -19.231 -15.431 239 HB3 CYS 80 HB3 CYS 80 5.942 -20.823 -15.421 240 H LEU 81 H LEU 81 5.827 -19.248 -18.387 241 HA LEU 81 HA LEU 81 3.874 -21.241 -18.859 242 HB2 LEU 81 HB2 LEU 81 4.312 -18.474 -19.545 243 HB3 LEU 81 HB3 LEU 81 3.682 -19.371 -20.925 244 HG LEU 81 HG LEU 81 1.885 -18.310 -19.681 245 HD11 LEU 81 HD11 LEU 81 0.759 -20.064 -20.451 246 HD12 LEU 81 HD12 LEU 81 0.958 -20.788 -18.856 247 HD13 LEU 81 HD13 LEU 81 2.107 -21.158 -20.140 248 HD21 LEU 81 HD21 LEU 81 3.168 -19.714 -17.381 249 HD22 LEU 81 HD22 LEU 81 1.427 -19.428 -17.362 250 HD23 LEU 81 HD23 LEU 81 2.543 -18.067 -17.490 251 H GLU 82 H GLU 82 6.565 -20.001 -20.801 252 HA GLU 82 HA GLU 82 5.991 -21.739 -23.018 253 HB2 GLU 82 HB2 GLU 82 7.325 -19.418 -22.849 254 HB3 GLU 82 HB3 GLU 82 8.685 -20.524 -22.720 255 HG2 GLU 82 HG2 GLU 82 7.942 -21.605 -24.822 256 HG3 GLU 82 HG3 GLU 82 6.689 -20.373 -24.966 257 H ALA 83 H ALA 83 8.386 -21.658 -20.407 258 HA ALA 83 HA ALA 83 9.790 -23.979 -21.231 259 HB1 ALA 83 HB1 ALA 83 9.614 -22.763 -18.476 260 HB2 ALA 83 HB2 ALA 83 10.832 -23.907 -19.039 261 HB3 ALA 83 HB3 ALA 83 10.756 -22.288 -19.734 262 H SER 84 H SER 84 7.379 -23.471 -18.653 263 HA SER 84 HA SER 84 7.142 -26.318 -18.207 264 HB2 SER 84 HB2 SER 84 5.187 -24.396 -17.035 265 HB3 SER 84 HB3 SER 84 5.978 -25.788 -16.296 266 HG SER 84 HG SER 84 7.044 -24.161 -15.392 267 H GLY 85 H GLY 85 6.258 -24.778 -20.754 268 HA2 GLY 85 HA2 GLY 85 4.454 -24.753 -22.207 269 HA3 GLY 85 HA3 GLY 85 4.407 -26.455 -21.773 270 H MET 86 H MET 86 3.638 -23.586 -19.827 271 HA MET 86 HA MET 86 1.714 -22.907 -18.816 272 HB2 MET 86 HB2 MET 86 0.170 -24.864 -20.500 273 HB3 MET 86 HB3 MET 86 -0.374 -23.332 -19.825 274 HG2 MET 86 HG2 MET 86 1.741 -22.620 -21.451 275 HG3 MET 86 HG3 MET 86 0.924 -23.897 -22.350 276 HE1 MET 86 HE1 MET 86 -1.683 -23.874 -22.834 277 HE2 MET 86 HE2 MET 86 -2.221 -22.398 -23.634 278 HE3 MET 86 HE3 MET 86 -0.717 -23.174 -24.132 279 H GLN 87 H GLN 87 3.275 -25.019 -17.729 280 HA GLN 87 HA GLN 87 1.650 -27.158 -16.818 281 HB2 GLN 87 HB2 GLN 87 4.324 -26.658 -16.807 282 HB3 GLN 87 HB3 GLN 87 3.926 -26.366 -15.119 283 HG2 GLN 87 HG2 GLN 87 4.276 -28.566 -14.912 284 HG3 GLN 87 HG3 GLN 87 2.630 -28.693 -15.528 285 HE21 GLN 87 HE21 GLN 87 5.947 -28.359 -16.744 286 HE22 GLN 87 HE22 GLN 87 5.768 -29.487 -18.040 287 H CYS 88 H CYS 88 2.157 -27.242 -14.072 288 HA CYS 88 HA CYS 88 1.017 -24.862 -12.875 289 HB2 CYS 88 HB2 CYS 88 -0.797 -26.619 -13.801 290 HB3 CYS 88 HB3 CYS 88 -0.491 -27.333 -12.222 291 HA PRO 89 HA PRO 89 3.995 -27.267 -10.234 292 HB2 PRO 89 HB2 PRO 89 5.550 -25.127 -9.622 293 HB3 PRO 89 HB3 PRO 89 5.798 -26.112 -11.068 294 HG2 PRO 89 HG2 PRO 89 4.407 -23.477 -10.788 295 HG3 PRO 89 HG3 PRO 89 5.534 -24.020 -12.045 296 HD2 PRO 89 HD2 PRO 89 2.852 -23.988 -12.410 297 HD3 PRO 89 HD3 PRO 89 3.906 -25.193 -13.176 298 H ILE 90 H ILE 90 2.547 -24.063 -9.770 299 HA ILE 90 HA ILE 90 2.722 -24.073 -6.939 300 HB ILE 90 HB ILE 90 0.689 -22.547 -8.556 301 HG12 ILE 90 HG12 ILE 90 2.874 -22.190 -9.576 302 HG13 ILE 90 HG13 ILE 90 2.376 -20.743 -8.703 303 HG21 ILE 90 HG21 ILE 90 0.969 -20.892 -6.730 304 HG22 ILE 90 HG22 ILE 90 0.329 -22.442 -6.182 305 HG23 ILE 90 HG23 ILE 90 2.024 -22.038 -5.902 306 HD11 ILE 90 HD11 ILE 90 4.494 -22.731 -8.001 307 HD12 ILE 90 HD12 ILE 90 4.612 -20.977 -8.156 308 HD13 ILE 90 HD13 ILE 90 3.780 -21.686 -6.771 309 H CYS 91 H CYS 91 0.694 -25.714 -9.115 310 HA CYS 91 HA CYS 91 -1.725 -25.860 -7.742 311 HB2 CYS 91 HB2 CYS 91 -0.720 -26.955 -10.047 312 HB3 CYS 91 HB3 CYS 91 -0.892 -28.373 -9.016 313 H GLN 92 H GLN 92 1.334 -27.170 -6.945 314 HA GLN 92 HA GLN 92 0.460 -29.373 -5.371 315 HB2 GLN 92 HB2 GLN 92 3.043 -27.805 -5.368 316 HB3 GLN 92 HB3 GLN 92 2.775 -29.255 -4.407 317 HG2 GLN 92 HG2 GLN 92 2.142 -30.305 -6.714 318 HG3 GLN 92 HG3 GLN 92 3.087 -28.962 -7.353 319 HE21 GLN 92 HE21 GLN 92 3.827 -31.587 -7.750 320 HE22 GLN 92 HE22 GLN 92 5.284 -31.907 -6.880 321 H ALA 93 H ALA 93 0.220 -26.064 -4.914 322 HA ALA 93 HA ALA 93 -0.005 -26.397 -1.993 323 HB1 ALA 93 HB1 ALA 93 0.429 -23.956 -1.838 324 HB2 ALA 93 HB2 ALA 93 1.783 -24.876 -2.496 325 HB3 ALA 93 HB3 ALA 93 0.745 -23.943 -3.573 326 HA PRO 94 HA PRO 94 -4.273 -25.604 -3.529 327 HB2 PRO 94 HB2 PRO 94 -5.461 -27.207 -1.689 328 HB3 PRO 94 HB3 PRO 94 -4.808 -27.816 -3.214 329 HG2 PRO 94 HG2 PRO 94 -3.586 -27.858 -0.482 330 HG3 PRO 94 HG3 PRO 94 -3.621 -29.135 -1.712 331 HD2 PRO 94 HD2 PRO 94 -1.452 -27.569 -1.299 332 HD3 PRO 94 HD3 PRO 94 -1.873 -28.214 -2.898 333 H TRP 95 H TRP 95 -4.225 -23.452 -2.799 334 HA TRP 95 HA TRP 95 -5.193 -23.102 -0.042 335 HB2 TRP 95 HB2 TRP 95 -3.810 -21.233 0.333 336 HB3 TRP 95 HB3 TRP 95 -2.750 -22.415 -0.431 337 HD1 TRP 95 HD1 TRP 95 -3.082 -22.001 -3.413 338 HE1 TRP 95 HE1 TRP 95 -2.530 -19.772 -4.576 339 HE3 TRP 95 HE3 TRP 95 -3.420 -18.878 0.620 340 HZ2 TRP 95 HZ2 TRP 95 -2.272 -17.050 -3.875 341 HZ3 TRP 95 HZ3 TRP 95 -3.005 -16.475 0.288 342 HH2 TRP 95 HH2 TRP 95 -2.442 -15.582 -1.913 343 HA PRO 96 HA PRO 96 -8.476 -20.735 -1.739 344 HB2 PRO 96 HB2 PRO 96 -8.891 -18.904 0.222 345 HB3 PRO 96 HB3 PRO 96 -9.332 -20.607 0.390 346 HG2 PRO 96 HG2 PRO 96 -6.916 -19.165 1.415 347 HG3 PRO 96 HG3 PRO 96 -7.933 -20.367 2.233 348 HD2 PRO 96 HD2 PRO 96 -5.546 -20.994 1.117 349 HD3 PRO 96 HD3 PRO 96 -6.902 -22.139 1.181 350 H LEU 97 H LEU 97 -8.352 -19.343 -3.373 351 HA LEU 97 HA LEU 97 -6.351 -17.232 -3.352 352 HB2 LEU 97 HB2 LEU 97 -6.734 -17.013 -5.662 353 HB3 LEU 97 HB3 LEU 97 -6.776 -18.743 -5.324 354 HG LEU 97 HG LEU 97 -9.407 -17.460 -5.267 355 HD11 LEU 97 HD11 LEU 97 -8.826 -16.107 -7.032 356 HD12 LEU 97 HD12 LEU 97 -9.371 -17.558 -7.874 357 HD13 LEU 97 HD13 LEU 97 -7.646 -17.255 -7.666 358 HD21 LEU 97 HD21 LEU 97 -9.950 -19.581 -5.613 359 HD22 LEU 97 HD22 LEU 97 -8.241 -20.002 -5.725 360 HD23 LEU 97 HD23 LEU 97 -9.135 -19.548 -7.176 361 H GLY 98 H GLY 98 -7.001 -15.051 -4.208 362 HA2 GLY 98 HA2 GLY 98 -9.592 -14.058 -4.193 363 HA3 GLY 98 HA3 GLY 98 -9.016 -13.951 -2.536 364 H ALA 99 H ALA 99 -6.220 -13.538 -3.539 365 HA ALA 99 HA ALA 99 -6.514 -10.770 -4.506 366 HB1 ALA 99 HB1 ALA 99 -4.364 -10.399 -3.077 367 HB2 ALA 99 HB2 ALA 99 -5.951 -10.371 -2.309 368 HB3 ALA 99 HB3 ALA 99 -4.941 -11.812 -2.194 369 H ASP 100 H ASP 100 -6.044 -11.444 -6.629 370 HA ASP 100 HA ASP 100 -3.211 -12.130 -7.052 371 HB2 ASP 100 HB2 ASP 100 -5.652 -13.415 -8.156 372 HB3 ASP 100 HB3 ASP 100 -4.300 -13.195 -9.263 373 H THR 101 H THR 101 -2.255 -10.425 -7.931 374 HA THR 101 HA THR 101 -3.733 -8.877 -9.960 375 HB THR 101 HB THR 101 -1.559 -7.344 -8.928 376 HG1 THR 101 HG1 THR 101 -1.941 -7.350 -6.774 377 HG21 THR 101 HG21 THR 101 -4.429 -6.821 -8.262 378 HG22 THR 101 HG22 THR 101 -3.889 -6.739 -9.940 379 HG23 THR 101 HG23 THR 101 -3.162 -5.686 -8.726 380 HA PRO 102 HA PRO 102 -0.184 -10.747 -12.181 381 HB2 PRO 102 HB2 PRO 102 -1.491 -10.906 -14.556 382 HB3 PRO 102 HB3 PRO 102 -1.637 -12.136 -13.294 383 HG2 PRO 102 HG2 PRO 102 -3.488 -9.880 -13.964 384 HG3 PRO 102 HG3 PRO 102 -3.876 -11.564 -13.564 385 HD2 PRO 102 HD2 PRO 102 -4.083 -9.554 -11.761 386 HD3 PRO 102 HD3 PRO 102 -3.645 -11.211 -11.297 387 H ALA 103 H ALA 103 1.104 -9.919 -13.914 388 HA ALA 103 HA ALA 103 0.993 -7.037 -14.109 389 HB1 ALA 103 HB1 ALA 103 3.133 -8.136 -13.747 390 HB2 ALA 103 HB2 ALA 103 2.961 -9.004 -15.274 391 HB3 ALA 103 HB3 ALA 103 3.138 -7.250 -15.272 392 H LEU 104 H LEU 104 1.005 -5.863 -16.096 393 HA LEU 104 HA LEU 104 -0.999 -6.422 -17.864 394 HB2 LEU 104 HB2 LEU 104 -0.332 -4.590 -19.028 395 HB3 LEU 104 HB3 LEU 104 0.578 -4.334 -17.541 396 HG LEU 104 HG LEU 104 1.657 -5.455 -20.126 397 HD11 LEU 104 HD11 LEU 104 2.910 -3.072 -19.086 398 HD12 LEU 104 HD12 LEU 104 1.189 -2.819 -19.376 399 HD13 LEU 104 HD13 LEU 104 2.230 -3.383 -20.683 400 HD21 LEU 104 HD21 LEU 104 3.174 -6.427 -18.805 401 HD22 LEU 104 HD22 LEU 104 2.656 -5.518 -17.386 402 HD23 LEU 104 HD23 LEU 104 3.788 -4.797 -18.531 Start of MODEL 9 1 H1 GLU 49 H GLU 49 11.159 6.540 -1.298 2 HA GLU 49 HA GLU 49 10.554 4.918 1.024 3 HB2 GLU 49 HB2 GLU 49 10.235 7.527 0.619 4 HB3 GLU 49 HB3 GLU 49 8.668 6.997 0.024 5 HG2 GLU 49 HG2 GLU 49 8.476 5.724 2.240 6 HG3 GLU 49 HG3 GLU 49 9.813 6.740 2.777 7 H GLU 50 H GLU 50 9.524 5.220 -2.269 8 HA GLU 50 HA GLU 50 7.310 3.346 -1.762 9 HB2 GLU 50 HB2 GLU 50 7.072 5.715 -2.968 10 HB3 GLU 50 HB3 GLU 50 7.548 4.764 -4.368 11 HG2 GLU 50 HG2 GLU 50 5.638 3.472 -4.310 12 HG3 GLU 50 HG3 GLU 50 5.331 3.819 -2.610 13 H GLU 51 H GLU 51 6.853 1.975 -3.833 14 HA GLU 51 HA GLU 51 9.396 0.996 -4.939 15 HB2 GLU 51 HB2 GLU 51 7.143 -0.752 -3.935 16 HB3 GLU 51 HB3 GLU 51 8.640 -1.310 -4.667 17 HG2 GLU 51 HG2 GLU 51 9.839 -0.149 -2.763 18 HG3 GLU 51 HG3 GLU 51 8.259 0.009 -2.001 19 H PHE 52 H PHE 52 8.598 -0.922 -6.606 20 HA PHE 52 HA PHE 52 6.834 0.505 -8.474 21 HB2 PHE 52 HB2 PHE 52 9.348 -0.291 -8.943 22 HB3 PHE 52 HB3 PHE 52 8.509 -1.768 -9.404 23 HD1 PHE 52 HD2 PHE 52 8.258 1.915 -9.951 24 HD2 PHE 52 HD1 PHE 52 7.877 -1.992 -11.596 25 HE1 PHE 52 HE2 PHE 52 7.755 2.894 -12.151 26 HE2 PHE 52 HE1 PHE 52 7.374 -1.019 -13.799 27 HZ PHE 52 HZ PHE 52 7.311 1.426 -14.078 28 H GLN 53 H GLN 53 5.439 -0.810 -9.862 29 HA GLN 53 HA GLN 53 4.173 -2.922 -8.307 30 HB2 GLN 53 HB2 GLN 53 2.762 -1.139 -9.220 31 HB3 GLN 53 HB3 GLN 53 3.291 -1.542 -10.848 32 HG2 GLN 53 HG2 GLN 53 1.590 -2.938 -11.010 33 HG3 GLN 53 HG3 GLN 53 2.316 -3.924 -9.742 34 HE21 GLN 53 HE21 GLN 53 -0.502 -2.880 -10.567 35 HE22 GLN 53 HE22 GLN 53 -1.198 -2.446 -9.047 36 H PHE 54 H PHE 54 5.351 -4.763 -8.563 37 HA PHE 54 HA PHE 54 5.310 -5.950 -11.234 38 HB2 PHE 54 HB2 PHE 54 7.660 -6.811 -10.843 39 HB3 PHE 54 HB3 PHE 54 7.530 -5.086 -11.176 40 HD1 PHE 54 HD2 PHE 54 7.541 -3.495 -9.183 41 HD2 PHE 54 HD1 PHE 54 8.743 -7.571 -8.935 42 HE1 PHE 54 HE2 PHE 54 8.776 -3.002 -7.112 43 HE2 PHE 54 HE1 PHE 54 9.978 -7.085 -6.863 44 HZ PHE 54 HZ PHE 54 9.995 -4.798 -5.948 45 H LEU 55 H LEU 55 5.295 -8.221 -11.252 46 HA LEU 55 HA LEU 55 4.389 -9.396 -8.739 47 HB2 LEU 55 HB2 LEU 55 4.264 -10.319 -11.599 48 HB3 LEU 55 HB3 LEU 55 3.785 -11.336 -10.242 49 HG LEU 55 HG LEU 55 2.498 -8.740 -11.084 50 HD11 LEU 55 HD11 LEU 55 0.533 -10.269 -11.437 51 HD12 LEU 55 HD12 LEU 55 1.651 -11.621 -11.266 52 HD13 LEU 55 HD13 LEU 55 1.862 -10.465 -12.580 53 HD21 LEU 55 HD21 LEU 55 2.228 -10.429 -8.648 54 HD22 LEU 55 HD22 LEU 55 0.781 -9.676 -9.321 55 HD23 LEU 55 HD23 LEU 55 2.148 -8.676 -8.824 56 H ARG 56 H ARG 56 5.029 -11.765 -8.419 57 HA ARG 56 HA ARG 56 7.802 -12.276 -9.214 58 HB2 ARG 56 HB2 ARG 56 7.746 -11.144 -6.963 59 HB3 ARG 56 HB3 ARG 56 6.864 -12.539 -6.356 60 HG2 ARG 56 HG2 ARG 56 9.267 -13.343 -7.738 61 HG3 ARG 56 HG3 ARG 56 9.616 -12.201 -6.438 62 HD2 ARG 56 HD2 ARG 56 8.067 -14.779 -6.203 63 HD3 ARG 56 HD3 ARG 56 9.696 -14.476 -5.602 64 HE ARG 56 HE ARG 56 7.980 -12.584 -4.468 65 HH11 ARG 56 HH11 ARG 56 8.558 -16.016 -4.388 66 HH12 ARG 56 HH12 ARG 56 7.986 -16.206 -2.763 67 HH21 ARG 56 HH21 ARG 56 7.225 -12.821 -2.329 68 HH22 ARG 56 HH22 ARG 56 7.227 -14.388 -1.594 69 H CYS 57 H CYS 57 7.840 -14.210 -10.130 70 HA CYS 57 HA CYS 57 5.822 -16.074 -10.177 71 HB2 CYS 57 HB2 CYS 57 7.928 -15.969 -11.617 72 HB3 CYS 57 HB3 CYS 57 8.735 -16.839 -10.316 73 H GLN 58 H GLN 58 4.934 -17.284 -8.652 74 HA GLN 58 HA GLN 58 6.181 -17.632 -6.094 75 HB2 GLN 58 HB2 GLN 58 3.659 -18.908 -7.164 76 HB3 GLN 58 HB3 GLN 58 4.146 -18.812 -5.477 77 HG2 GLN 58 HG2 GLN 58 3.355 -16.537 -7.276 78 HG3 GLN 58 HG3 GLN 58 2.468 -17.166 -5.888 79 HE21 GLN 58 HE21 GLN 58 4.510 -17.448 -4.064 80 HE22 GLN 58 HE22 GLN 58 5.128 -15.890 -3.649 81 H GLN 59 H GLN 59 6.760 -19.108 -8.928 82 HA GLN 59 HA GLN 59 7.331 -21.706 -7.659 83 HB2 GLN 59 HB2 GLN 59 6.633 -22.809 -9.502 84 HB3 GLN 59 HB3 GLN 59 5.737 -21.330 -9.816 85 HG2 GLN 59 HG2 GLN 59 6.735 -21.377 -11.806 86 HG3 GLN 59 HG3 GLN 59 8.144 -20.760 -10.945 87 HE21 GLN 59 HE21 GLN 59 9.941 -21.957 -10.880 88 HE22 GLN 59 HE22 GLN 59 10.082 -23.566 -11.493 89 H CYS 60 H CYS 60 8.610 -18.966 -9.276 90 HA CYS 60 HA CYS 60 11.215 -20.300 -9.589 91 HB2 CYS 60 HB2 CYS 60 9.892 -18.042 -11.035 92 HB3 CYS 60 HB3 CYS 60 11.650 -18.079 -10.946 93 H GLN 61 H GLN 61 9.498 -17.789 -7.952 94 HA GLN 61 HA GLN 61 10.068 -16.390 -6.251 95 HB2 GLN 61 HB2 GLN 61 12.676 -17.887 -6.048 96 HB3 GLN 61 HB3 GLN 61 11.827 -17.015 -4.779 97 HG2 GLN 61 HG2 GLN 61 10.060 -18.674 -4.784 98 HG3 GLN 61 HG3 GLN 61 10.849 -19.532 -6.107 99 HE21 GLN 61 HE21 GLN 61 11.871 -21.273 -5.465 100 HE22 GLN 61 HE22 GLN 61 12.686 -21.488 -3.958 101 H ALA 62 H ALA 62 10.661 -15.626 -8.916 102 HA ALA 62 HA ALA 62 12.765 -13.669 -8.374 103 HB1 ALA 62 HB1 ALA 62 13.956 -14.062 -10.371 104 HB2 ALA 62 HB2 ALA 62 13.723 -15.647 -9.630 105 HB3 ALA 62 HB3 ALA 62 12.713 -15.150 -10.989 106 H GLU 63 H GLU 63 12.856 -12.120 -10.415 107 HA GLU 63 HA GLU 63 10.379 -10.796 -10.516 108 HB2 GLU 63 HB2 GLU 63 13.034 -10.465 -11.755 109 HB3 GLU 63 HB3 GLU 63 11.698 -9.780 -12.670 110 HG2 GLU 63 HG2 GLU 63 11.536 -9.117 -9.857 111 HG3 GLU 63 HG3 GLU 63 13.054 -8.590 -10.580 112 H ALA 64 H ALA 64 8.685 -10.916 -11.862 113 HA ALA 64 HA ALA 64 8.868 -12.818 -14.104 114 HB1 ALA 64 HB1 ALA 64 7.085 -13.788 -13.209 115 HB2 ALA 64 HB2 ALA 64 6.958 -12.524 -11.985 116 HB3 ALA 64 HB3 ALA 64 6.164 -12.322 -13.547 117 H LYS 65 H LYS 65 9.138 -11.766 -15.963 118 HA LYS 65 HA LYS 65 8.459 -9.077 -16.426 119 HB2 LYS 65 HB2 LYS 65 9.309 -11.372 -18.129 120 HB3 LYS 65 HB3 LYS 65 8.637 -9.957 -18.927 121 HG2 LYS 65 HG2 LYS 65 10.787 -9.299 -18.938 122 HG3 LYS 65 HG3 LYS 65 10.402 -8.758 -17.301 123 HD2 LYS 65 HD2 LYS 65 12.423 -9.963 -17.118 124 HD3 LYS 65 HD3 LYS 65 11.165 -11.048 -16.518 125 HE2 LYS 65 HE2 LYS 65 12.466 -12.405 -17.901 126 HE3 LYS 65 HE3 LYS 65 11.091 -11.963 -18.913 127 HZ1 LYS 65 HZ1 LYS 65 13.435 -11.799 -19.894 128 HZ2 LYS 65 HZ2 LYS 65 13.580 -10.383 -18.982 129 HZ3 LYS 65 HZ3 LYS 65 12.370 -10.511 -20.158 130 H CYS 66 H CYS 66 7.027 -11.910 -18.052 131 HA CYS 66 HA CYS 66 4.458 -10.465 -18.076 132 HB2 CYS 66 HB2 CYS 66 5.840 -11.055 -20.292 133 HB3 CYS 66 HB3 CYS 66 4.982 -12.580 -20.101 134 HG CYS 66 HG CYS 66 3.672 -10.883 -21.963 135 HA PRO 67 HA PRO 67 3.965 -14.406 -15.654 136 HB2 PRO 67 HB2 PRO 67 2.607 -13.257 -13.603 137 HB3 PRO 67 HB3 PRO 67 4.372 -13.335 -13.662 138 HG2 PRO 67 HG2 PRO 67 2.551 -11.063 -14.362 139 HG3 PRO 67 HG3 PRO 67 4.074 -11.038 -13.453 140 HD2 PRO 67 HD2 PRO 67 3.922 -10.328 -16.062 141 HD3 PRO 67 HD3 PRO 67 5.361 -11.099 -15.364 142 H LYS 68 H LYS 68 2.188 -15.687 -15.743 143 HA LYS 68 HA LYS 68 -0.324 -14.440 -16.651 144 HB2 LYS 68 HB2 LYS 68 0.622 -17.253 -17.223 145 HB3 LYS 68 HB3 LYS 68 -0.814 -16.474 -17.872 146 HG2 LYS 68 HG2 LYS 68 2.055 -15.785 -18.462 147 HG3 LYS 68 HG3 LYS 68 0.871 -16.493 -19.562 148 HD2 LYS 68 HD2 LYS 68 0.712 -13.742 -18.332 149 HD3 LYS 68 HD3 LYS 68 1.183 -14.103 -19.994 150 HE2 LYS 68 HE2 LYS 68 -1.490 -14.746 -18.750 151 HE3 LYS 68 HE3 LYS 68 -1.163 -13.382 -19.818 152 HZ1 LYS 68 HZ1 LYS 68 -1.322 -16.242 -20.455 153 HZ2 LYS 68 HZ2 LYS 68 -0.315 -15.257 -21.391 154 HZ3 LYS 68 HZ3 LYS 68 -1.969 -14.918 -21.286 155 H LEU 69 H LEU 69 -2.306 -15.453 -15.962 156 HA LEU 69 HA LEU 69 -2.059 -16.573 -13.267 157 HB2 LEU 69 HB2 LEU 69 -3.952 -14.828 -14.628 158 HB3 LEU 69 HB3 LEU 69 -4.741 -16.120 -13.726 159 HG LEU 69 HG LEU 69 -2.828 -14.077 -12.597 160 HD11 LEU 69 HD11 LEU 69 -5.618 -13.973 -13.121 161 HD12 LEU 69 HD12 LEU 69 -4.599 -12.778 -12.318 162 HD13 LEU 69 HD13 LEU 69 -5.381 -14.046 -11.375 163 HD21 LEU 69 HD21 LEU 69 -2.463 -15.712 -11.095 164 HD22 LEU 69 HD22 LEU 69 -3.907 -16.611 -11.562 165 HD23 LEU 69 HD23 LEU 69 -4.040 -15.228 -10.473 166 H LEU 70 H LEU 70 -1.698 -18.735 -13.611 167 HA LEU 70 HA LEU 70 -2.760 -20.411 -15.494 168 HB2 LEU 70 HB2 LEU 70 -1.903 -20.823 -12.667 169 HB3 LEU 70 HB3 LEU 70 -2.655 -22.155 -13.542 170 HG LEU 70 HG LEU 70 -0.169 -20.705 -14.446 171 HD11 LEU 70 HD11 LEU 70 -0.454 -23.362 -13.051 172 HD12 LEU 70 HD12 LEU 70 0.246 -21.897 -12.365 173 HD13 LEU 70 HD13 LEU 70 1.038 -22.701 -13.719 174 HD21 LEU 70 HD21 LEU 70 -1.471 -21.726 -16.250 175 HD22 LEU 70 HD22 LEU 70 -1.449 -23.268 -15.394 176 HD23 LEU 70 HD23 LEU 70 0.057 -22.570 -15.994 177 HA PRO 71 HA PRO 71 -7.037 -21.026 -14.736 178 HB2 PRO 71 HB2 PRO 71 -7.336 -23.700 -15.092 179 HB3 PRO 71 HB3 PRO 71 -7.027 -22.582 -16.426 180 HG2 PRO 71 HG2 PRO 71 -5.113 -24.357 -14.957 181 HG3 PRO 71 HG3 PRO 71 -5.238 -24.045 -16.699 182 HD2 PRO 71 HD2 PRO 71 -3.385 -22.843 -15.133 183 HD3 PRO 71 HD3 PRO 71 -4.098 -22.047 -16.551 184 H CYS 72 H CYS 72 -4.727 -22.323 -12.651 185 HA CYS 72 HA CYS 72 -6.754 -23.364 -10.797 186 HB2 CYS 72 HB2 CYS 72 -3.761 -23.732 -10.938 187 HB3 CYS 72 HB3 CYS 72 -4.718 -24.241 -9.551 188 H LEU 73 H LEU 73 -5.767 -20.482 -11.430 189 HA LEU 73 HA LEU 73 -5.681 -18.529 -10.261 190 HB2 LEU 73 HB2 LEU 73 -6.050 -20.097 -7.728 191 HB3 LEU 73 HB3 LEU 73 -6.495 -18.424 -8.056 192 HG LEU 73 HG LEU 73 -7.873 -20.929 -8.994 193 HD11 LEU 73 HD11 LEU 73 -8.258 -19.071 -6.851 194 HD12 LEU 73 HD12 LEU 73 -9.150 -20.545 -7.225 195 HD13 LEU 73 HD13 LEU 73 -9.638 -19.012 -7.948 196 HD21 LEU 73 HD21 LEU 73 -7.914 -18.182 -10.118 197 HD22 LEU 73 HD22 LEU 73 -9.449 -19.039 -9.982 198 HD23 LEU 73 HD23 LEU 73 -8.129 -19.739 -10.918 199 H HIS 74 H HIS 74 -3.326 -20.102 -10.800 200 HA HIS 74 HA HIS 74 -1.620 -19.514 -8.485 201 HB2 HIS 74 HB2 HIS 74 -0.966 -21.104 -10.974 202 HB3 HIS 74 HB3 HIS 74 0.043 -20.951 -9.538 203 HD1 HIS 74 HD1 HIS 74 -2.818 -21.294 -7.808 204 HD2 HIS 74 HD2 HIS 74 -0.919 -23.927 -10.400 205 HE1 HIS 74 HE1 HIS 74 -3.653 -23.579 -7.175 206 H THR 75 H THR 75 0.579 -18.649 -8.990 207 HA THR 75 HA THR 75 0.429 -16.656 -11.158 208 HB THR 75 HB THR 75 1.748 -16.351 -8.454 209 HG1 THR 75 HG1 THR 75 -0.463 -14.955 -9.590 210 HG21 THR 75 HG21 THR 75 1.530 -13.887 -9.823 211 HG22 THR 75 HG22 THR 75 2.261 -15.039 -10.942 212 HG23 THR 75 HG23 THR 75 2.998 -14.750 -9.365 213 H LEU 76 H LEU 76 1.807 -17.154 -12.727 214 HA LEU 76 HA LEU 76 4.475 -18.154 -11.982 215 HB2 LEU 76 HB2 LEU 76 2.476 -19.319 -13.732 216 HB3 LEU 76 HB3 LEU 76 4.008 -19.059 -14.563 217 HG LEU 76 HG LEU 76 5.127 -20.367 -12.755 218 HD11 LEU 76 HD11 LEU 76 4.005 -20.742 -10.878 219 HD12 LEU 76 HD12 LEU 76 2.991 -21.871 -11.775 220 HD13 LEU 76 HD13 LEU 76 2.495 -20.188 -11.602 221 HD21 LEU 76 HD21 LEU 76 3.142 -22.271 -13.749 222 HD22 LEU 76 HD22 LEU 76 4.888 -22.217 -13.994 223 HD23 LEU 76 HD23 LEU 76 3.825 -21.227 -14.996 224 H CYS 77 H CYS 77 6.037 -17.893 -13.907 225 HA CYS 77 HA CYS 77 5.757 -15.138 -14.871 226 HB2 CYS 77 HB2 CYS 77 8.189 -15.221 -15.234 227 HB3 CYS 77 HB3 CYS 77 7.771 -15.616 -13.570 228 H SER 78 H SER 78 6.568 -14.640 -17.048 229 HA SER 78 HA SER 78 5.260 -16.010 -19.042 230 HB2 SER 78 HB2 SER 78 5.978 -14.259 -20.240 231 HB3 SER 78 HB3 SER 78 7.011 -13.790 -18.890 232 HG SER 78 HG SER 78 8.469 -14.110 -20.423 233 H GLY 79 H GLY 79 8.744 -16.213 -18.291 234 HA2 GLY 79 HA2 GLY 79 9.455 -18.140 -20.148 235 HA3 GLY 79 HA3 GLY 79 10.250 -17.920 -18.596 236 H CYS 80 H CYS 80 7.832 -18.549 -17.069 237 HA CYS 80 HA CYS 80 8.190 -21.371 -16.916 238 HB2 CYS 80 HB2 CYS 80 6.738 -19.299 -15.419 239 HB3 CYS 80 HB3 CYS 80 5.948 -20.872 -15.423 240 H LEU 81 H LEU 81 5.784 -19.265 -18.345 241 HA LEU 81 HA LEU 81 3.799 -21.226 -18.805 242 HB2 LEU 81 HB2 LEU 81 4.341 -18.470 -19.656 243 HB3 LEU 81 HB3 LEU 81 3.410 -19.427 -20.807 244 HG LEU 81 HG LEU 81 1.930 -18.147 -19.385 245 HD11 LEU 81 HD11 LEU 81 1.042 -20.429 -18.115 246 HD12 LEU 81 HD12 LEU 81 1.939 -21.046 -19.502 247 HD13 LEU 81 HD13 LEU 81 0.615 -19.905 -19.744 248 HD21 LEU 81 HD21 LEU 81 3.645 -19.266 -17.248 249 HD22 LEU 81 HD22 LEU 81 1.927 -19.097 -16.893 250 HD23 LEU 81 HD23 LEU 81 2.870 -17.686 -17.374 251 H GLU 82 H GLU 82 6.467 -20.003 -20.788 252 HA GLU 82 HA GLU 82 5.819 -21.725 -23.003 253 HB2 GLU 82 HB2 GLU 82 7.138 -19.399 -22.881 254 HB3 GLU 82 HB3 GLU 82 8.513 -20.489 -22.780 255 HG2 GLU 82 HG2 GLU 82 8.150 -21.355 -24.893 256 HG3 GLU 82 HG3 GLU 82 6.462 -20.848 -24.921 257 H ALA 83 H ALA 83 8.414 -21.587 -20.575 258 HA ALA 83 HA ALA 83 9.724 -23.943 -21.425 259 HB1 ALA 83 HB1 ALA 83 10.952 -23.816 -19.353 260 HB2 ALA 83 HB2 ALA 83 10.777 -22.197 -20.031 261 HB3 ALA 83 HB3 ALA 83 9.763 -22.700 -18.679 262 H SER 84 H SER 84 7.579 -23.375 -18.630 263 HA SER 84 HA SER 84 7.337 -26.209 -18.138 264 HB2 SER 84 HB2 SER 84 5.479 -24.323 -16.801 265 HB3 SER 84 HB3 SER 84 6.445 -25.631 -16.119 266 HG SER 84 HG SER 84 6.987 -23.195 -15.800 267 H GLY 85 H GLY 85 6.222 -24.644 -20.598 268 HA2 GLY 85 HA2 GLY 85 4.292 -24.619 -21.877 269 HA3 GLY 85 HA3 GLY 85 4.277 -26.322 -21.438 270 H MET 86 H MET 86 3.684 -23.407 -19.488 271 HA MET 86 HA MET 86 1.907 -22.763 -18.224 272 HB2 MET 86 HB2 MET 86 0.088 -24.545 -19.800 273 HB3 MET 86 HB3 MET 86 -0.226 -22.948 -19.132 274 HG2 MET 86 HG2 MET 86 1.757 -22.410 -20.910 275 HG3 MET 86 HG3 MET 86 0.906 -23.727 -21.714 276 HE1 MET 86 HE1 MET 86 -2.052 -22.220 -23.230 277 HE2 MET 86 HE2 MET 86 -0.774 -23.434 -23.206 278 HE3 MET 86 HE3 MET 86 -2.057 -23.479 -21.996 279 H GLN 87 H GLN 87 3.450 -25.029 -17.414 280 HA GLN 87 HA GLN 87 1.883 -27.183 -16.526 281 HB2 GLN 87 HB2 GLN 87 4.591 -26.293 -16.248 282 HB3 GLN 87 HB3 GLN 87 3.984 -26.780 -14.670 283 HG2 GLN 87 HG2 GLN 87 4.289 -28.900 -15.197 284 HG3 GLN 87 HG3 GLN 87 3.172 -28.734 -16.552 285 HE21 GLN 87 HE21 GLN 87 4.047 -29.559 -18.303 286 HE22 GLN 87 HE22 GLN 87 5.683 -29.358 -18.820 287 H CYS 88 H CYS 88 2.289 -27.474 -13.837 288 HA CYS 88 HA CYS 88 0.980 -25.177 -12.568 289 HB2 CYS 88 HB2 CYS 88 -0.336 -27.598 -13.244 290 HB3 CYS 88 HB3 CYS 88 -0.137 -27.586 -11.495 291 HA PRO 89 HA PRO 89 4.477 -26.981 -10.071 292 HB2 PRO 89 HB2 PRO 89 5.728 -24.607 -9.653 293 HB3 PRO 89 HB3 PRO 89 6.030 -25.616 -11.072 294 HG2 PRO 89 HG2 PRO 89 4.279 -23.203 -10.801 295 HG3 PRO 89 HG3 PRO 89 5.394 -23.635 -12.111 296 HD2 PRO 89 HD2 PRO 89 2.720 -24.017 -12.290 297 HD3 PRO 89 HD3 PRO 89 3.893 -25.090 -13.080 298 H ILE 90 H ILE 90 2.725 -23.918 -9.609 299 HA ILE 90 HA ILE 90 3.037 -23.794 -6.811 300 HB ILE 90 HB ILE 90 0.729 -22.650 -8.380 301 HG12 ILE 90 HG12 ILE 90 2.789 -21.981 -9.472 302 HG13 ILE 90 HG13 ILE 90 2.134 -20.610 -8.584 303 HG21 ILE 90 HG21 ILE 90 1.372 -22.619 -5.644 304 HG22 ILE 90 HG22 ILE 90 1.728 -21.006 -6.261 305 HG23 ILE 90 HG23 ILE 90 0.118 -21.695 -6.472 306 HD11 ILE 90 HD11 ILE 90 4.385 -22.384 -7.671 307 HD12 ILE 90 HD12 ILE 90 4.542 -20.757 -8.333 308 HD13 ILE 90 HD13 ILE 90 3.730 -21.006 -6.787 309 H CYS 91 H CYS 91 0.871 -25.580 -8.842 310 HA CYS 91 HA CYS 91 -1.287 -26.058 -7.196 311 HB2 CYS 91 HB2 CYS 91 -0.243 -27.159 -9.576 312 HB3 CYS 91 HB3 CYS 91 -0.525 -28.514 -8.488 313 H GLN 92 H GLN 92 1.970 -27.165 -6.869 314 HA GLN 92 HA GLN 92 1.209 -29.104 -4.812 315 HB2 GLN 92 HB2 GLN 92 3.570 -28.710 -6.551 316 HB3 GLN 92 HB3 GLN 92 3.899 -29.307 -4.929 317 HG2 GLN 92 HG2 GLN 92 1.898 -30.583 -6.770 318 HG3 GLN 92 HG3 GLN 92 3.596 -31.051 -6.711 319 HE21 GLN 92 HE21 GLN 92 0.537 -31.487 -5.379 320 HE22 GLN 92 HE22 GLN 92 0.988 -32.456 -4.022 321 H ALA 93 H ALA 93 2.658 -25.987 -5.237 322 HA ALA 93 HA ALA 93 3.929 -25.836 -2.687 323 HB1 ALA 93 HB1 ALA 93 3.124 -23.697 -4.650 324 HB2 ALA 93 HB2 ALA 93 4.051 -23.396 -3.180 325 HB3 ALA 93 HB3 ALA 93 4.719 -24.423 -4.449 326 HA PRO 94 HA PRO 94 0.558 -24.855 -0.046 327 HB2 PRO 94 HB2 PRO 94 1.777 -23.221 1.746 328 HB3 PRO 94 HB3 PRO 94 2.055 -24.965 1.693 329 HG2 PRO 94 HG2 PRO 94 3.723 -22.746 0.572 330 HG3 PRO 94 HG3 PRO 94 4.237 -24.199 1.450 331 HD2 PRO 94 HD2 PRO 94 4.383 -23.997 -1.247 332 HD3 PRO 94 HD3 PRO 94 4.075 -25.539 -0.420 333 H TRP 95 H TRP 95 2.003 -22.564 -2.038 334 HA TRP 95 HA TRP 95 1.011 -20.123 -1.203 335 HB2 TRP 95 HB2 TRP 95 2.468 -20.066 -3.042 336 HB3 TRP 95 HB3 TRP 95 1.537 -21.265 -3.935 337 HD1 TRP 95 HD1 TRP 95 -0.671 -20.404 -5.210 338 HE1 TRP 95 HE1 TRP 95 -1.369 -18.060 -6.011 339 HE3 TRP 95 HE3 TRP 95 2.601 -17.599 -2.461 340 HZ2 TRP 95 HZ2 TRP 95 -0.631 -15.377 -5.541 341 HZ3 TRP 95 HZ3 TRP 95 2.540 -15.150 -2.694 342 HH2 TRP 95 HH2 TRP 95 0.958 -14.064 -4.204 343 HA PRO 96 HA PRO 96 -3.376 -20.889 -1.383 344 HB2 PRO 96 HB2 PRO 96 -4.120 -18.395 -0.609 345 HB3 PRO 96 HB3 PRO 96 -3.520 -19.613 0.523 346 HG2 PRO 96 HG2 PRO 96 -2.064 -17.324 -0.741 347 HG3 PRO 96 HG3 PRO 96 -2.006 -17.897 0.936 348 HD2 PRO 96 HD2 PRO 96 -0.087 -18.497 -0.876 349 HD3 PRO 96 HD3 PRO 96 -0.543 -19.605 0.433 350 H LEU 97 H LEU 97 -5.170 -20.172 -2.632 351 HA LEU 97 HA LEU 97 -4.373 -18.769 -5.077 352 HB2 LEU 97 HB2 LEU 97 -6.633 -19.668 -5.878 353 HB3 LEU 97 HB3 LEU 97 -5.311 -20.811 -5.652 354 HG LEU 97 HG LEU 97 -7.199 -20.432 -3.391 355 HD11 LEU 97 HD11 LEU 97 -8.846 -20.590 -5.037 356 HD12 LEU 97 HD12 LEU 97 -8.628 -22.252 -4.490 357 HD13 LEU 97 HD13 LEU 97 -7.902 -21.721 -6.007 358 HD21 LEU 97 HD21 LEU 97 -6.174 -23.006 -4.521 359 HD22 LEU 97 HD22 LEU 97 -6.611 -22.608 -2.860 360 HD23 LEU 97 HD23 LEU 97 -5.121 -21.971 -3.557 361 H GLY 98 H GLY 98 -6.259 -17.502 -6.121 362 HA2 GLY 98 HA2 GLY 98 -8.282 -16.322 -4.604 363 HA3 GLY 98 HA3 GLY 98 -6.855 -15.311 -4.440 364 H ALA 99 H ALA 99 -7.745 -13.566 -5.528 365 HA ALA 99 HA ALA 99 -8.298 -13.997 -8.390 366 HB1 ALA 99 HB1 ALA 99 -10.030 -12.960 -6.643 367 HB2 ALA 99 HB2 ALA 99 -9.177 -11.484 -7.100 368 HB3 ALA 99 HB3 ALA 99 -9.967 -12.465 -8.335 369 H ASP 100 H ASP 100 -5.761 -13.338 -6.723 370 HA ASP 100 HA ASP 100 -4.812 -10.809 -7.214 371 HB2 ASP 100 HB2 ASP 100 -3.534 -13.482 -6.943 372 HB3 ASP 100 HB3 ASP 100 -2.541 -12.174 -7.578 373 H THR 101 H THR 101 -4.906 -9.704 -9.053 374 HA THR 101 HA THR 101 -4.958 -10.937 -11.623 375 HB THR 101 HB THR 101 -4.455 -8.353 -12.227 376 HG1 THR 101 HG1 THR 101 -4.931 -7.036 -10.602 377 HG21 THR 101 HG21 THR 101 -6.506 -8.652 -13.044 378 HG22 THR 101 HG22 THR 101 -7.176 -8.421 -11.429 379 HG23 THR 101 HG23 THR 101 -6.741 -10.039 -11.980 380 HA PRO 102 HA PRO 102 -0.721 -11.069 -12.761 381 HB2 PRO 102 HB2 PRO 102 -0.784 -10.266 -15.353 382 HB3 PRO 102 HB3 PRO 102 -1.394 -11.836 -14.820 383 HG2 PRO 102 HG2 PRO 102 -2.903 -9.319 -15.411 384 HG3 PRO 102 HG3 PRO 102 -3.299 -10.990 -15.851 385 HD2 PRO 102 HD2 PRO 102 -4.461 -9.721 -13.761 386 HD3 PRO 102 HD3 PRO 102 -4.157 -11.470 -13.767 387 H ALA 103 H ALA 103 0.879 -9.634 -14.291 388 HA ALA 103 HA ALA 103 1.031 -7.082 -12.907 389 HB1 ALA 103 HB1 ALA 103 2.974 -8.484 -14.736 390 HB2 ALA 103 HB2 ALA 103 3.279 -6.938 -13.942 391 HB3 ALA 103 HB3 ALA 103 3.045 -8.394 -12.976 392 H LEU 104 H LEU 104 1.313 -5.075 -13.980 393 HA LEU 104 HA LEU 104 -0.473 -4.495 -15.994 394 HB2 LEU 104 HB2 LEU 104 1.991 -3.109 -15.013 395 HB3 LEU 104 HB3 LEU 104 1.086 -2.457 -16.377 396 HG LEU 104 HG LEU 104 -0.926 -2.363 -14.891 397 HD11 LEU 104 HD11 LEU 104 1.069 -3.430 -12.966 398 HD12 LEU 104 HD12 LEU 104 -0.652 -3.781 -13.127 399 HD13 LEU 104 HD13 LEU 104 -0.126 -2.273 -12.379 400 HD21 LEU 104 HD21 LEU 104 0.157 -0.482 -13.419 401 HD22 LEU 104 HD22 LEU 104 0.013 -0.288 -15.167 402 HD23 LEU 104 HD23 LEU 104 1.554 -0.769 -14.456 Start of MODEL 10 1 H1 GLU 49 H GLU 49 8.164 6.262 -0.798 2 HA GLU 49 HA GLU 49 5.918 5.221 -2.357 3 HB2 GLU 49 HB2 GLU 49 8.536 6.169 -3.446 4 HB3 GLU 49 HB3 GLU 49 7.757 4.783 -4.196 5 HG2 GLU 49 HG2 GLU 49 5.843 6.057 -4.771 6 HG3 GLU 49 HG3 GLU 49 6.374 7.416 -3.782 7 H GLU 50 H GLU 50 6.048 3.000 -2.834 8 HA GLU 50 HA GLU 50 7.823 1.537 -1.033 9 HB2 GLU 50 HB2 GLU 50 5.340 0.735 -2.547 10 HB3 GLU 50 HB3 GLU 50 6.327 -0.411 -1.652 11 HG2 GLU 50 HG2 GLU 50 5.788 0.547 0.406 12 HG3 GLU 50 HG3 GLU 50 5.206 2.034 -0.338 13 H GLU 51 H GLU 51 8.233 -0.831 -2.055 14 HA GLU 51 HA GLU 51 10.288 -0.541 -3.889 15 HB2 GLU 51 HB2 GLU 51 9.304 -2.605 -2.390 16 HB3 GLU 51 HB3 GLU 51 8.901 -3.131 -4.019 17 HG2 GLU 51 HG2 GLU 51 11.395 -2.491 -4.505 18 HG3 GLU 51 HG3 GLU 51 11.563 -2.712 -2.765 19 H PHE 52 H PHE 52 10.326 -1.809 -6.052 20 HA PHE 52 HA PHE 52 8.835 -0.437 -7.928 21 HB2 PHE 52 HB2 PHE 52 9.468 -2.340 -9.491 22 HB3 PHE 52 HB3 PHE 52 10.802 -1.546 -8.660 23 HD1 PHE 52 HD2 PHE 52 8.491 -4.442 -8.241 24 HD2 PHE 52 HD1 PHE 52 12.396 -2.854 -7.648 25 HE1 PHE 52 HE2 PHE 52 9.243 -6.620 -7.378 26 HE2 PHE 52 HE1 PHE 52 13.154 -5.029 -6.784 27 HZ PHE 52 HZ PHE 52 11.577 -6.916 -6.648 28 H GLN 53 H GLN 53 7.234 -1.302 -9.478 29 HA GLN 53 HA GLN 53 5.207 -2.873 -8.049 30 HB2 GLN 53 HB2 GLN 53 3.644 -1.899 -9.786 31 HB3 GLN 53 HB3 GLN 53 4.336 -0.751 -8.648 32 HG2 GLN 53 HG2 GLN 53 5.855 -1.128 -11.134 33 HG3 GLN 53 HG3 GLN 53 4.263 -0.397 -11.319 34 HE21 GLN 53 HE21 GLN 53 3.806 1.420 -9.781 35 HE22 GLN 53 HE22 GLN 53 5.091 2.533 -9.476 36 H PHE 54 H PHE 54 6.336 -4.856 -8.614 37 HA PHE 54 HA PHE 54 5.510 -5.806 -11.257 38 HB2 PHE 54 HB2 PHE 54 8.276 -5.565 -10.278 39 HB3 PHE 54 HB3 PHE 54 7.874 -7.140 -10.951 40 HD1 PHE 54 HD1 PHE 54 8.128 -3.544 -11.669 41 HD2 PHE 54 HD2 PHE 54 7.515 -7.434 -13.285 42 HE1 PHE 54 HE1 PHE 54 8.443 -2.648 -13.939 43 HE2 PHE 54 HE2 PHE 54 7.830 -6.544 -15.557 44 HZ PHE 54 HZ PHE 54 8.294 -4.148 -15.886 45 H LEU 55 H LEU 55 5.278 -8.106 -11.401 46 HA LEU 55 HA LEU 55 4.350 -9.265 -8.937 47 HB2 LEU 55 HB2 LEU 55 4.363 -10.108 -11.806 48 HB3 LEU 55 HB3 LEU 55 3.986 -11.278 -10.542 49 HG LEU 55 HG LEU 55 2.465 -8.735 -11.114 50 HD11 LEU 55 HD11 LEU 55 0.669 -10.584 -11.559 51 HD12 LEU 55 HD12 LEU 55 2.081 -11.591 -11.872 52 HD13 LEU 55 HD13 LEU 55 1.815 -10.127 -12.818 53 HD21 LEU 55 HD21 LEU 55 2.263 -9.114 -8.806 54 HD22 LEU 55 HD22 LEU 55 2.163 -10.863 -9.015 55 HD23 LEU 55 HD23 LEU 55 0.819 -9.836 -9.514 56 H ARG 56 H ARG 56 4.903 -11.707 -8.625 57 HA ARG 56 HA ARG 56 7.731 -12.249 -9.123 58 HB2 ARG 56 HB2 ARG 56 7.464 -11.075 -6.893 59 HB3 ARG 56 HB3 ARG 56 6.561 -12.484 -6.352 60 HG2 ARG 56 HG2 ARG 56 9.079 -13.252 -7.532 61 HG3 ARG 56 HG3 ARG 56 9.306 -12.096 -6.218 62 HD2 ARG 56 HD2 ARG 56 7.778 -14.693 -6.081 63 HD3 ARG 56 HD3 ARG 56 9.359 -14.371 -5.369 64 HE ARG 56 HE ARG 56 7.706 -12.476 -4.292 65 HH11 ARG 56 HH11 ARG 56 7.726 -15.954 -4.440 66 HH12 ARG 56 HH12 ARG 56 6.905 -16.154 -2.927 67 HH21 ARG 56 HH21 ARG 56 6.625 -12.724 -2.299 68 HH22 ARG 56 HH22 ARG 56 6.278 -14.316 -1.711 69 H CYS 57 H CYS 57 7.795 -14.190 -10.024 70 HA CYS 57 HA CYS 57 5.740 -16.026 -10.167 71 HB2 CYS 57 HB2 CYS 57 7.918 -15.943 -11.509 72 HB3 CYS 57 HB3 CYS 57 8.642 -16.839 -10.178 73 H GLN 58 H GLN 58 4.801 -17.291 -8.717 74 HA GLN 58 HA GLN 58 5.897 -17.602 -6.085 75 HB2 GLN 58 HB2 GLN 58 3.432 -18.762 -7.389 76 HB3 GLN 58 HB3 GLN 58 3.849 -18.993 -5.697 77 HG2 GLN 58 HG2 GLN 58 3.869 -16.452 -5.530 78 HG3 GLN 58 HG3 GLN 58 3.064 -16.463 -7.097 79 HE21 GLN 58 HE21 GLN 58 1.297 -18.412 -6.996 80 HE22 GLN 58 HE22 GLN 58 0.163 -18.190 -5.713 81 H GLN 59 H GLN 59 6.621 -19.098 -8.897 82 HA GLN 59 HA GLN 59 7.217 -21.658 -7.565 83 HB2 GLN 59 HB2 GLN 59 6.652 -22.815 -9.432 84 HB3 GLN 59 HB3 GLN 59 5.667 -21.392 -9.748 85 HG2 GLN 59 HG2 GLN 59 6.689 -21.318 -11.718 86 HG3 GLN 59 HG3 GLN 59 8.081 -20.697 -10.835 87 HE21 GLN 59 HE21 GLN 59 9.873 -21.939 -10.619 88 HE22 GLN 59 HE22 GLN 59 10.062 -23.495 -11.346 89 H CYS 60 H CYS 60 8.481 -18.910 -9.175 90 HA CYS 60 HA CYS 60 11.132 -20.180 -9.357 91 HB2 CYS 60 HB2 CYS 60 9.822 -17.990 -10.932 92 HB3 CYS 60 HB3 CYS 60 11.577 -18.046 -10.810 93 H GLN 61 H GLN 61 9.272 -17.928 -7.653 94 HA GLN 61 HA GLN 61 9.734 -16.339 -6.086 95 HB2 GLN 61 HB2 GLN 61 12.349 -17.780 -5.689 96 HB3 GLN 61 HB3 GLN 61 11.408 -16.893 -4.497 97 HG2 GLN 61 HG2 GLN 61 9.660 -18.598 -4.613 98 HG3 GLN 61 HG3 GLN 61 10.614 -19.488 -5.798 99 HE21 GLN 61 HE21 GLN 61 11.768 -21.087 -5.013 100 HE22 GLN 61 HE22 GLN 61 12.368 -21.220 -3.399 101 H ALA 62 H ALA 62 10.429 -15.615 -8.717 102 HA ALA 62 HA ALA 62 12.517 -13.649 -8.136 103 HB1 ALA 62 HB1 ALA 62 13.712 -14.046 -10.160 104 HB2 ALA 62 HB2 ALA 62 13.552 -15.592 -9.325 105 HB3 ALA 62 HB3 ALA 62 12.516 -15.222 -10.704 106 H GLU 63 H GLU 63 12.668 -12.150 -10.235 107 HA GLU 63 HA GLU 63 10.207 -10.797 -10.389 108 HB2 GLU 63 HB2 GLU 63 11.303 -9.224 -11.680 109 HB3 GLU 63 HB3 GLU 63 12.642 -9.960 -10.811 110 HG2 GLU 63 HG2 GLU 63 12.859 -11.496 -12.856 111 HG3 GLU 63 HG3 GLU 63 11.842 -10.311 -13.673 112 H ALA 64 H ALA 64 8.549 -10.877 -11.797 113 HA ALA 64 HA ALA 64 8.740 -12.833 -13.993 114 HB1 ALA 64 HB1 ALA 64 7.085 -13.101 -11.960 115 HB2 ALA 64 HB2 ALA 64 6.100 -11.991 -12.912 116 HB3 ALA 64 HB3 ALA 64 6.600 -13.536 -13.599 117 H LYS 65 H LYS 65 9.069 -11.773 -15.842 118 HA LYS 65 HA LYS 65 8.345 -9.095 -16.332 119 HB2 LYS 65 HB2 LYS 65 9.231 -11.372 -18.073 120 HB3 LYS 65 HB3 LYS 65 8.705 -9.859 -18.799 121 HG2 LYS 65 HG2 LYS 65 10.449 -8.645 -17.755 122 HG3 LYS 65 HG3 LYS 65 10.863 -10.009 -16.713 123 HD2 LYS 65 HD2 LYS 65 11.050 -10.130 -19.715 124 HD3 LYS 65 HD3 LYS 65 12.391 -9.609 -18.692 125 HE2 LYS 65 HE2 LYS 65 12.260 -11.770 -17.494 126 HE3 LYS 65 HE3 LYS 65 10.994 -12.282 -18.609 127 HZ1 LYS 65 HZ1 LYS 65 13.820 -12.279 -18.968 128 HZ2 LYS 65 HZ2 LYS 65 13.048 -11.433 -20.212 129 HZ3 LYS 65 HZ3 LYS 65 12.622 -13.039 -19.890 130 H CYS 66 H CYS 66 7.072 -11.953 -18.042 131 HA CYS 66 HA CYS 66 4.472 -10.574 -18.191 132 HB2 CYS 66 HB2 CYS 66 6.050 -12.065 -20.199 133 HB3 CYS 66 HB3 CYS 66 4.323 -12.395 -20.193 134 HG CYS 66 HG CYS 66 4.325 -10.534 -22.070 135 HA PRO 67 HA PRO 67 3.943 -14.460 -15.683 136 HB2 PRO 67 HB2 PRO 67 2.497 -13.279 -13.712 137 HB3 PRO 67 HB3 PRO 67 4.263 -13.336 -13.705 138 HG2 PRO 67 HG2 PRO 67 2.443 -11.105 -14.526 139 HG3 PRO 67 HG3 PRO 67 3.931 -11.039 -13.563 140 HD2 PRO 67 HD2 PRO 67 3.867 -10.393 -16.191 141 HD3 PRO 67 HD3 PRO 67 5.288 -11.128 -15.423 142 H LYS 68 H LYS 68 2.061 -15.691 -15.462 143 HA LYS 68 HA LYS 68 -0.382 -14.524 -16.623 144 HB2 LYS 68 HB2 LYS 68 0.733 -17.296 -17.084 145 HB3 LYS 68 HB3 LYS 68 -0.840 -16.742 -17.642 146 HG2 LYS 68 HG2 LYS 68 1.846 -15.684 -18.493 147 HG3 LYS 68 HG3 LYS 68 0.736 -16.664 -19.455 148 HD2 LYS 68 HD2 LYS 68 0.191 -13.886 -18.408 149 HD3 LYS 68 HD3 LYS 68 0.607 -14.300 -20.074 150 HE2 LYS 68 HE2 LYS 68 -1.596 -14.431 -20.419 151 HE3 LYS 68 HE3 LYS 68 -1.517 -15.959 -19.544 152 HZ1 LYS 68 HZ1 LYS 68 -1.720 -13.632 -17.852 153 HZ2 LYS 68 HZ2 LYS 68 -2.570 -15.093 -17.789 154 HZ3 LYS 68 HZ3 LYS 68 -3.065 -13.872 -18.851 155 H LEU 69 H LEU 69 -2.380 -15.502 -15.934 156 HA LEU 69 HA LEU 69 -2.187 -16.550 -13.200 157 HB2 LEU 69 HB2 LEU 69 -4.483 -15.265 -14.670 158 HB3 LEU 69 HB3 LEU 69 -4.568 -15.885 -13.022 159 HG LEU 69 HG LEU 69 -2.934 -13.547 -14.000 160 HD11 LEU 69 HD11 LEU 69 -4.717 -12.342 -13.479 161 HD12 LEU 69 HD12 LEU 69 -4.617 -12.929 -11.819 162 HD13 LEU 69 HD13 LEU 69 -5.591 -13.799 -13.004 163 HD21 LEU 69 HD21 LEU 69 -1.580 -14.547 -12.370 164 HD22 LEU 69 HD22 LEU 69 -2.962 -14.995 -11.370 165 HD23 LEU 69 HD23 LEU 69 -2.478 -13.303 -11.500 166 H LEU 70 H LEU 70 -1.855 -18.729 -13.617 167 HA LEU 70 HA LEU 70 -3.076 -20.351 -15.460 168 HB2 LEU 70 HB2 LEU 70 -2.040 -20.827 -12.702 169 HB3 LEU 70 HB3 LEU 70 -2.878 -22.127 -13.545 170 HG LEU 70 HG LEU 70 -0.425 -20.716 -14.588 171 HD11 LEU 70 HD11 LEU 70 0.865 -22.553 -13.863 172 HD12 LEU 70 HD12 LEU 70 -0.566 -23.484 -13.423 173 HD13 LEU 70 HD13 LEU 70 -0.108 -22.069 -12.475 174 HD21 LEU 70 HD21 LEU 70 -1.855 -21.668 -16.325 175 HD22 LEU 70 HD22 LEU 70 -1.835 -23.224 -15.496 176 HD23 LEU 70 HD23 LEU 70 -0.346 -22.567 -16.175 177 HA PRO 71 HA PRO 71 -7.304 -20.883 -14.418 178 HB2 PRO 71 HB2 PRO 71 -7.688 -23.546 -14.779 179 HB3 PRO 71 HB3 PRO 71 -7.443 -22.420 -16.120 180 HG2 PRO 71 HG2 PRO 71 -5.476 -24.253 -14.803 181 HG3 PRO 71 HG3 PRO 71 -5.713 -23.918 -16.527 182 HD2 PRO 71 HD2 PRO 71 -3.730 -22.776 -15.081 183 HD3 PRO 71 HD3 PRO 71 -4.519 -21.948 -16.438 184 H CYS 72 H CYS 72 -4.888 -22.273 -12.513 185 HA CYS 72 HA CYS 72 -6.799 -23.312 -10.544 186 HB2 CYS 72 HB2 CYS 72 -3.797 -23.619 -10.757 187 HB3 CYS 72 HB3 CYS 72 -4.771 -24.269 -9.442 188 H LEU 73 H LEU 73 -5.833 -20.418 -11.213 189 HA LEU 73 HA LEU 73 -5.695 -18.477 -10.031 190 HB2 LEU 73 HB2 LEU 73 -5.904 -20.041 -7.482 191 HB3 LEU 73 HB3 LEU 73 -6.412 -18.384 -7.803 192 HG LEU 73 HG LEU 73 -7.774 -20.941 -8.610 193 HD11 LEU 73 HD11 LEU 73 -9.549 -19.056 -7.559 194 HD12 LEU 73 HD12 LEU 73 -8.114 -18.978 -6.538 195 HD13 LEU 73 HD13 LEU 73 -8.945 -20.516 -6.776 196 HD21 LEU 73 HD21 LEU 73 -9.434 -19.111 -9.588 197 HD22 LEU 73 HD22 LEU 73 -8.154 -19.837 -10.561 198 HD23 LEU 73 HD23 LEU 73 -7.918 -18.245 -9.839 199 H HIS 74 H HIS 74 -3.370 -20.036 -10.714 200 HA HIS 74 HA HIS 74 -1.539 -19.487 -8.490 201 HB2 HIS 74 HB2 HIS 74 -1.017 -21.000 -11.056 202 HB3 HIS 74 HB3 HIS 74 0.068 -20.882 -9.674 203 HD1 HIS 74 HD1 HIS 74 -2.787 -21.283 -7.877 204 HD2 HIS 74 HD2 HIS 74 -0.826 -23.850 -10.489 205 HE1 HIS 74 HE1 HIS 74 -3.549 -23.595 -7.247 206 H THR 75 H THR 75 0.624 -18.594 -9.095 207 HA THR 75 HA THR 75 0.387 -16.605 -11.256 208 HB THR 75 HB THR 75 1.654 -16.176 -8.542 209 HG1 THR 75 HG1 THR 75 -0.093 -14.893 -8.139 210 HG21 THR 75 HG21 THR 75 1.669 -13.749 -9.488 211 HG22 THR 75 HG22 THR 75 1.610 -14.551 -11.057 212 HG23 THR 75 HG23 THR 75 2.948 -14.868 -9.954 213 H LEU 76 H LEU 76 1.720 -17.375 -12.788 214 HA LEU 76 HA LEU 76 4.436 -18.172 -11.971 215 HB2 LEU 76 HB2 LEU 76 2.508 -19.362 -13.789 216 HB3 LEU 76 HB3 LEU 76 4.072 -19.093 -14.554 217 HG LEU 76 HG LEU 76 5.130 -20.397 -12.722 218 HD11 LEU 76 HD11 LEU 76 2.990 -21.886 -11.752 219 HD12 LEU 76 HD12 LEU 76 2.466 -20.206 -11.632 220 HD13 LEU 76 HD13 LEU 76 3.966 -20.719 -10.859 221 HD21 LEU 76 HD21 LEU 76 4.894 -22.278 -13.921 222 HD22 LEU 76 HD22 LEU 76 3.895 -21.281 -14.980 223 HD23 LEU 76 HD23 LEU 76 3.139 -22.289 -13.746 224 H CYS 77 H CYS 77 6.034 -17.894 -13.876 225 HA CYS 77 HA CYS 77 5.739 -15.137 -14.830 226 HB2 CYS 77 HB2 CYS 77 8.184 -15.204 -15.164 227 HB3 CYS 77 HB3 CYS 77 7.736 -15.582 -13.504 228 H SER 78 H SER 78 6.818 -14.684 -16.984 229 HA SER 78 HA SER 78 5.478 -15.995 -19.028 230 HB2 SER 78 HB2 SER 78 6.912 -14.780 -20.567 231 HB3 SER 78 HB3 SER 78 6.501 -13.732 -19.210 232 HG SER 78 HG SER 78 8.801 -13.859 -19.927 233 H GLY 79 H GLY 79 8.951 -16.265 -18.236 234 HA2 GLY 79 HA2 GLY 79 9.644 -18.232 -20.043 235 HA3 GLY 79 HA3 GLY 79 10.410 -18.023 -18.476 236 H CYS 80 H CYS 80 7.951 -18.579 -16.994 237 HA CYS 80 HA CYS 80 8.233 -21.405 -16.810 238 HB2 CYS 80 HB2 CYS 80 6.772 -19.288 -15.378 239 HB3 CYS 80 HB3 CYS 80 5.971 -20.856 -15.376 240 H LEU 81 H LEU 81 5.918 -19.260 -18.327 241 HA LEU 81 HA LEU 81 3.907 -21.193 -18.825 242 HB2 LEU 81 HB2 LEU 81 4.508 -18.443 -19.662 243 HB3 LEU 81 HB3 LEU 81 3.586 -19.386 -20.831 244 HG LEU 81 HG LEU 81 2.170 -18.013 -19.343 245 HD11 LEU 81 HD11 LEU 81 1.124 -19.893 -20.314 246 HD12 LEU 81 HD12 LEU 81 0.676 -19.912 -18.609 247 HD13 LEU 81 HD13 LEU 81 1.924 -21.006 -19.206 248 HD21 LEU 81 HD21 LEU 81 3.359 -17.971 -17.308 249 HD22 LEU 81 HD22 LEU 81 3.432 -19.731 -17.222 250 HD23 LEU 81 HD23 LEU 81 1.895 -18.899 -16.984 251 H GLU 82 H GLU 82 6.632 -19.995 -20.749 252 HA GLU 82 HA GLU 82 6.014 -21.704 -22.981 253 HB2 GLU 82 HB2 GLU 82 7.376 -19.398 -22.802 254 HB3 GLU 82 HB3 GLU 82 8.724 -20.523 -22.704 255 HG2 GLU 82 HG2 GLU 82 7.946 -21.568 -24.807 256 HG3 GLU 82 HG3 GLU 82 6.697 -20.329 -24.920 257 H ALA 83 H ALA 83 8.620 -21.589 -20.555 258 HA ALA 83 HA ALA 83 9.878 -23.977 -21.366 259 HB1 ALA 83 HB1 ALA 83 10.947 -22.241 -19.970 260 HB2 ALA 83 HB2 ALA 83 9.914 -22.725 -18.624 261 HB3 ALA 83 HB3 ALA 83 11.090 -23.861 -19.285 262 H SER 84 H SER 84 7.714 -23.360 -18.596 263 HA SER 84 HA SER 84 7.403 -26.200 -18.132 264 HB2 SER 84 HB2 SER 84 5.623 -24.312 -16.716 265 HB3 SER 84 HB3 SER 84 6.610 -25.627 -16.079 266 HG SER 84 HG SER 84 7.193 -23.278 -15.644 267 H GLY 85 H GLY 85 6.321 -24.588 -20.556 268 HA2 GLY 85 HA2 GLY 85 4.358 -24.443 -21.785 269 HA3 GLY 85 HA3 GLY 85 4.306 -26.157 -21.400 270 H MET 86 H MET 86 3.790 -23.244 -19.418 271 HA MET 86 HA MET 86 2.064 -22.608 -18.081 272 HB2 MET 86 HB2 MET 86 0.110 -24.283 -19.577 273 HB3 MET 86 HB3 MET 86 -0.037 -22.625 -19.010 274 HG2 MET 86 HG2 MET 86 1.772 -22.138 -20.815 275 HG3 MET 86 HG3 MET 86 1.231 -23.671 -21.495 276 HE1 MET 86 HE1 MET 86 -1.727 -23.887 -22.325 277 HE2 MET 86 HE2 MET 86 -1.452 -22.776 -23.667 278 HE3 MET 86 HE3 MET 86 -0.155 -23.841 -23.125 279 H GLN 87 H GLN 87 3.560 -24.915 -17.336 280 HA GLN 87 HA GLN 87 1.993 -27.079 -16.502 281 HB2 GLN 87 HB2 GLN 87 4.688 -26.245 -16.237 282 HB3 GLN 87 HB3 GLN 87 4.101 -26.609 -14.619 283 HG2 GLN 87 HG2 GLN 87 4.715 -28.697 -15.129 284 HG3 GLN 87 HG3 GLN 87 3.166 -28.747 -15.970 285 HE21 GLN 87 HE21 GLN 87 6.615 -28.427 -16.326 286 HE22 GLN 87 HE22 GLN 87 6.673 -28.753 -18.022 287 H CYS 88 H CYS 88 2.357 -27.425 -13.813 288 HA CYS 88 HA CYS 88 1.013 -25.165 -12.518 289 HB2 CYS 88 HB2 CYS 88 -0.274 -27.583 -13.266 290 HB3 CYS 88 HB3 CYS 88 -0.112 -27.598 -11.513 291 HA PRO 89 HA PRO 89 4.476 -26.998 -9.997 292 HB2 PRO 89 HB2 PRO 89 5.691 -24.623 -9.493 293 HB3 PRO 89 HB3 PRO 89 6.032 -25.589 -10.933 294 HG2 PRO 89 HG2 PRO 89 4.249 -23.204 -10.631 295 HG3 PRO 89 HG3 PRO 89 5.393 -23.588 -11.930 296 HD2 PRO 89 HD2 PRO 89 2.727 -23.994 -12.170 297 HD3 PRO 89 HD3 PRO 89 3.927 -25.033 -12.966 298 H ILE 90 H ILE 90 2.680 -23.968 -9.487 299 HA ILE 90 HA ILE 90 2.939 -23.918 -6.682 300 HB ILE 90 HB ILE 90 0.619 -22.761 -8.218 301 HG12 ILE 90 HG12 ILE 90 2.617 -22.063 -9.378 302 HG13 ILE 90 HG13 ILE 90 2.026 -20.707 -8.424 303 HG21 ILE 90 HG21 ILE 90 0.063 -21.804 -6.295 304 HG22 ILE 90 HG22 ILE 90 1.326 -22.747 -5.504 305 HG23 ILE 90 HG23 ILE 90 1.684 -21.132 -6.114 306 HD11 ILE 90 HD11 ILE 90 4.430 -20.867 -8.281 307 HD12 ILE 90 HD12 ILE 90 3.703 -21.203 -6.709 308 HD13 ILE 90 HD13 ILE 90 4.308 -22.528 -7.702 309 H CYS 91 H CYS 91 1.084 -25.902 -8.724 310 HA CYS 91 HA CYS 91 -1.131 -26.393 -7.010 311 HB2 CYS 91 HB2 CYS 91 -0.260 -27.229 -9.591 312 HB3 CYS 91 HB3 CYS 91 -0.601 -28.673 -8.641 313 H GLN 92 H GLN 92 2.105 -27.186 -6.735 314 HA GLN 92 HA GLN 92 1.825 -29.766 -5.513 315 HB2 GLN 92 HB2 GLN 92 4.132 -27.815 -5.546 316 HB3 GLN 92 HB3 GLN 92 4.215 -29.443 -4.887 317 HG2 GLN 92 HG2 GLN 92 3.567 -28.776 -7.749 318 HG3 GLN 92 HG3 GLN 92 5.156 -29.255 -7.155 319 HE21 GLN 92 HE21 GLN 92 3.093 -30.464 -9.031 320 HE22 GLN 92 HE22 GLN 92 2.946 -32.096 -8.485 321 H ALA 93 H ALA 93 2.170 -26.444 -4.375 322 HA ALA 93 HA ALA 93 1.760 -27.396 -1.618 323 HB1 ALA 93 HB1 ALA 93 3.854 -26.090 -2.141 324 HB2 ALA 93 HB2 ALA 93 2.813 -24.691 -2.412 325 HB3 ALA 93 HB3 ALA 93 2.865 -25.459 -0.825 326 HA PRO 94 HA PRO 94 -2.294 -25.625 -1.840 327 HB2 PRO 94 HB2 PRO 94 -2.870 -25.774 0.808 328 HB3 PRO 94 HB3 PRO 94 -2.883 -27.184 -0.258 329 HG2 PRO 94 HG2 PRO 94 -0.755 -26.259 1.635 330 HG3 PRO 94 HG3 PRO 94 -1.358 -27.901 1.345 331 HD2 PRO 94 HD2 PRO 94 0.950 -26.984 0.266 332 HD3 PRO 94 HD3 PRO 94 -0.086 -28.167 -0.559 333 H TRP 95 H TRP 95 -0.647 -23.624 -2.243 334 HA TRP 95 HA TRP 95 -0.162 -21.760 -0.247 335 HB2 TRP 95 HB2 TRP 95 0.463 -20.348 -1.930 336 HB3 TRP 95 HB3 TRP 95 0.400 -21.842 -2.860 337 HD1 TRP 95 HD1 TRP 95 -0.641 -18.419 -3.171 338 HE1 TRP 95 HE1 TRP 95 -2.613 -18.148 -4.805 339 HE3 TRP 95 HE3 TRP 95 -2.137 -23.299 -3.453 340 HZ2 TRP 95 HZ2 TRP 95 -4.545 -19.787 -6.047 341 HZ3 TRP 95 HZ3 TRP 95 -4.055 -23.863 -4.886 342 HH2 TRP 95 HH2 TRP 95 -5.233 -22.143 -6.155 343 HA PRO 96 HA PRO 96 -4.009 -19.974 0.878 344 HB2 PRO 96 HB2 PRO 96 -3.345 -17.362 1.201 345 HB3 PRO 96 HB3 PRO 96 -2.842 -18.627 2.328 346 HG2 PRO 96 HG2 PRO 96 -1.299 -17.347 0.104 347 HG3 PRO 96 HG3 PRO 96 -0.767 -17.753 1.747 348 HD2 PRO 96 HD2 PRO 96 -0.174 -19.294 -0.399 349 HD3 PRO 96 HD3 PRO 96 -0.424 -19.971 1.222 350 H LEU 97 H LEU 97 -5.653 -19.781 -0.505 351 HA LEU 97 HA LEU 97 -5.369 -18.390 -3.014 352 HB2 LEU 97 HB2 LEU 97 -7.654 -19.838 -1.703 353 HB3 LEU 97 HB3 LEU 97 -7.813 -19.010 -3.251 354 HG LEU 97 HG LEU 97 -5.586 -20.743 -3.452 355 HD11 LEU 97 HD11 LEU 97 -8.009 -22.290 -2.602 356 HD12 LEU 97 HD12 LEU 97 -6.761 -21.827 -1.446 357 HD13 LEU 97 HD13 LEU 97 -6.352 -22.852 -2.822 358 HD21 LEU 97 HD21 LEU 97 -8.248 -20.374 -4.683 359 HD22 LEU 97 HD22 LEU 97 -7.468 -21.935 -4.934 360 HD23 LEU 97 HD23 LEU 97 -6.651 -20.451 -5.428 361 H GLY 98 H GLY 98 -7.194 -16.871 -3.693 362 HA2 GLY 98 HA2 GLY 98 -8.790 -15.193 -3.030 363 HA3 GLY 98 HA3 GLY 98 -7.999 -15.124 -1.462 364 H ALA 99 H ALA 99 -5.361 -15.223 -3.049 365 HA ALA 99 HA ALA 99 -5.362 -12.406 -3.912 366 HB1 ALA 99 HB1 ALA 99 -4.358 -12.628 -1.678 367 HB2 ALA 99 HB2 ALA 99 -3.179 -13.763 -2.337 368 HB3 ALA 99 HB3 ALA 99 -3.192 -12.087 -2.885 369 H ASP 100 H ASP 100 -5.248 -12.671 -6.081 370 HA ASP 100 HA ASP 100 -2.767 -13.579 -7.195 371 HB2 ASP 100 HB2 ASP 100 -5.242 -15.240 -7.442 372 HB3 ASP 100 HB3 ASP 100 -4.143 -15.146 -8.815 373 H THR 101 H THR 101 -2.446 -11.751 -8.318 374 HA THR 101 HA THR 101 -4.351 -11.126 -10.450 375 HB THR 101 HB THR 101 -3.493 -8.611 -9.703 376 HG1 THR 101 HG1 THR 101 -4.312 -8.765 -7.368 377 HG21 THR 101 HG21 THR 101 -5.821 -9.692 -10.331 378 HG22 THR 101 HG22 THR 101 -5.731 -8.154 -9.473 379 HG23 THR 101 HG23 THR 101 -6.055 -9.642 -8.585 380 HA PRO 102 HA PRO 102 -0.803 -10.556 -12.969 381 HB2 PRO 102 HB2 PRO 102 -1.587 -8.544 -14.614 382 HB3 PRO 102 HB3 PRO 102 -2.235 -10.185 -14.727 383 HG2 PRO 102 HG2 PRO 102 -3.421 -7.767 -13.421 384 HG3 PRO 102 HG3 PRO 102 -4.208 -8.989 -14.436 385 HD2 PRO 102 HD2 PRO 102 -4.389 -9.001 -11.734 386 HD3 PRO 102 HD3 PRO 102 -4.394 -10.492 -12.698 387 H ALA 103 H ALA 103 0.534 -8.615 -14.003 388 HA ALA 103 HA ALA 103 1.368 -6.977 -11.735 389 HB1 ALA 103 HB1 ALA 103 2.726 -7.332 -14.403 390 HB2 ALA 103 HB2 ALA 103 3.409 -6.600 -12.951 391 HB3 ALA 103 HB3 ALA 103 3.036 -8.324 -12.978 392 H LEU 104 H LEU 104 1.723 -4.719 -11.916 393 HA LEU 104 HA LEU 104 -0.318 -3.236 -13.019 394 HB2 LEU 104 HB2 LEU 104 2.462 -2.538 -12.163 395 HB3 LEU 104 HB3 LEU 104 1.425 -1.312 -12.889 396 HG LEU 104 HG LEU 104 1.362 -1.140 -10.479 397 HD11 LEU 104 HD11 LEU 104 -0.820 -0.667 -10.459 398 HD12 LEU 104 HD12 LEU 104 -1.281 -2.330 -10.825 399 HD13 LEU 104 HD13 LEU 104 -0.818 -1.235 -12.129 400 HD21 LEU 104 HD21 LEU 104 0.087 -3.830 -10.249 401 HD22 LEU 104 HD22 LEU 104 0.905 -2.864 -9.021 402 HD23 LEU 104 HD23 LEU 104 1.844 -3.694 -10.262 Start of MODEL 11 1 H1 GLU 49 H GLU 49 3.809 10.679 -4.079 2 HA GLU 49 HA GLU 49 4.322 8.106 -3.111 3 HB2 GLU 49 HB2 GLU 49 1.703 9.573 -3.459 4 HB3 GLU 49 HB3 GLU 49 1.873 8.062 -2.576 5 HG2 GLU 49 HG2 GLU 49 3.540 10.428 -1.841 6 HG3 GLU 49 HG3 GLU 49 1.871 10.301 -1.289 7 H GLU 50 H GLU 50 4.746 6.480 -4.489 8 HA GLU 50 HA GLU 50 2.599 5.661 -6.294 9 HB2 GLU 50 HB2 GLU 50 4.057 5.327 -8.167 10 HB3 GLU 50 HB3 GLU 50 4.254 6.986 -7.619 11 HG2 GLU 50 HG2 GLU 50 6.257 6.107 -6.289 12 HG3 GLU 50 HG3 GLU 50 6.132 4.675 -7.311 13 H GLU 51 H GLU 51 2.892 3.414 -7.074 14 HA GLU 51 HA GLU 51 4.514 1.799 -5.223 15 HB2 GLU 51 HB2 GLU 51 2.737 0.216 -4.956 16 HB3 GLU 51 HB3 GLU 51 2.089 1.810 -4.596 17 HG2 GLU 51 HG2 GLU 51 1.309 1.826 -7.039 18 HG3 GLU 51 HG3 GLU 51 1.612 0.090 -6.998 19 H PHE 52 H PHE 52 5.487 -0.006 -6.065 20 HA PHE 52 HA PHE 52 5.986 -0.037 -8.849 21 HB2 PHE 52 HB2 PHE 52 7.359 -1.969 -8.419 22 HB3 PHE 52 HB3 PHE 52 7.580 -0.832 -7.093 23 HD1 PHE 52 HD1 PHE 52 6.627 -1.296 -4.887 24 HD2 PHE 52 HD2 PHE 52 6.352 -4.105 -8.072 25 HE1 PHE 52 HE1 PHE 52 6.050 -3.062 -3.274 26 HE2 PHE 52 HE2 PHE 52 5.772 -5.876 -6.465 27 HZ PHE 52 HZ PHE 52 5.622 -5.356 -4.063 28 H GLN 53 H GLN 53 5.201 -1.290 -10.475 29 HA GLN 53 HA GLN 53 2.856 -2.942 -9.825 30 HB2 GLN 53 HB2 GLN 53 2.505 -0.980 -11.327 31 HB3 GLN 53 HB3 GLN 53 3.601 -1.719 -12.486 32 HG2 GLN 53 HG2 GLN 53 1.304 -2.115 -13.117 33 HG3 GLN 53 HG3 GLN 53 2.096 -3.631 -12.691 34 HE21 GLN 53 HE21 GLN 53 1.477 -4.720 -10.839 35 HE22 GLN 53 HE22 GLN 53 0.024 -4.343 -9.984 36 H PHE 54 H PHE 54 4.659 -4.533 -9.241 37 HA PHE 54 HA PHE 54 5.072 -6.264 -11.559 38 HB2 PHE 54 HB2 PHE 54 7.195 -4.991 -9.938 39 HB3 PHE 54 HB3 PHE 54 7.412 -6.704 -10.278 40 HD1 PHE 54 HD1 PHE 54 7.137 -3.357 -11.754 41 HD2 PHE 54 HD2 PHE 54 7.898 -7.480 -12.488 42 HE1 PHE 54 HE1 PHE 54 8.003 -2.796 -13.988 43 HE2 PHE 54 HE2 PHE 54 8.766 -6.926 -14.722 44 HZ PHE 54 HZ PHE 54 8.821 -4.581 -15.474 45 H LEU 55 H LEU 55 5.387 -8.486 -11.030 46 HA LEU 55 HA LEU 55 4.467 -9.168 -8.315 47 HB2 LEU 55 HB2 LEU 55 4.154 -11.015 -10.638 48 HB3 LEU 55 HB3 LEU 55 3.209 -10.916 -9.154 49 HG LEU 55 HG LEU 55 3.096 -8.859 -11.354 50 HD11 LEU 55 HD11 LEU 55 0.698 -10.303 -11.226 51 HD12 LEU 55 HD12 LEU 55 1.990 -11.502 -11.263 52 HD13 LEU 55 HD13 LEU 55 1.880 -10.286 -12.535 53 HD21 LEU 55 HD21 LEU 55 1.013 -9.362 -9.268 54 HD22 LEU 55 HD22 LEU 55 1.333 -7.901 -10.204 55 HD23 LEU 55 HD23 LEU 55 2.421 -8.367 -8.895 56 H ARG 56 H ARG 56 4.923 -11.852 -8.290 57 HA ARG 56 HA ARG 56 7.708 -12.312 -9.004 58 HB2 ARG 56 HB2 ARG 56 7.668 -11.249 -6.720 59 HB3 ARG 56 HB3 ARG 56 6.773 -12.653 -6.153 60 HG2 ARG 56 HG2 ARG 56 9.164 -13.441 -7.563 61 HG3 ARG 56 HG3 ARG 56 9.530 -12.341 -6.233 62 HD2 ARG 56 HD2 ARG 56 7.962 -14.912 -6.071 63 HD3 ARG 56 HD3 ARG 56 9.589 -14.631 -5.452 64 HE ARG 56 HE ARG 56 7.125 -13.930 -4.188 65 HH11 ARG 56 HH11 ARG 56 10.471 -13.031 -4.533 66 HH12 ARG 56 HH12 ARG 56 10.550 -12.232 -2.997 67 HH21 ARG 56 HH21 ARG 56 7.216 -12.882 -2.163 68 HH22 ARG 56 HH22 ARG 56 8.699 -12.149 -1.650 69 H CYS 57 H CYS 57 7.765 -14.234 -9.945 70 HA CYS 57 HA CYS 57 5.718 -16.073 -10.060 71 HB2 CYS 57 HB2 CYS 57 7.830 -15.949 -11.489 72 HB3 CYS 57 HB3 CYS 57 8.626 -16.859 -10.209 73 H GLN 58 H GLN 58 4.823 -17.348 -8.592 74 HA GLN 58 HA GLN 58 6.043 -17.760 -6.028 75 HB2 GLN 58 HB2 GLN 58 3.545 -19.046 -7.138 76 HB3 GLN 58 HB3 GLN 58 4.006 -18.922 -5.445 77 HG2 GLN 58 HG2 GLN 58 3.513 -16.518 -7.174 78 HG3 GLN 58 HG3 GLN 58 2.239 -17.317 -6.254 79 HE21 GLN 58 HE21 GLN 58 3.220 -17.853 -3.896 80 HE22 GLN 58 HE22 GLN 58 3.805 -16.442 -3.088 81 H GLN 59 H GLN 59 6.608 -19.175 -8.914 82 HA GLN 59 HA GLN 59 7.186 -21.798 -7.705 83 HB2 GLN 59 HB2 GLN 59 6.519 -22.853 -9.592 84 HB3 GLN 59 HB3 GLN 59 5.602 -21.376 -9.853 85 HG2 GLN 59 HG2 GLN 59 6.603 -21.319 -11.838 86 HG3 GLN 59 HG3 GLN 59 8.017 -20.746 -10.955 87 HE21 GLN 59 HE21 GLN 59 9.795 -21.991 -10.864 88 HE22 GLN 59 HE22 GLN 59 9.934 -23.556 -11.583 89 H CYS 60 H CYS 60 8.480 -19.012 -9.224 90 HA CYS 60 HA CYS 60 11.090 -20.339 -9.544 91 HB2 CYS 60 HB2 CYS 60 9.800 -18.030 -10.953 92 HB3 CYS 60 HB3 CYS 60 11.556 -18.134 -10.883 93 H GLN 61 H GLN 61 9.340 -17.934 -7.824 94 HA GLN 61 HA GLN 61 9.889 -16.524 -6.126 95 HB2 GLN 61 HB2 GLN 61 12.485 -18.036 -5.895 96 HB3 GLN 61 HB3 GLN 61 11.612 -17.183 -4.630 97 HG2 GLN 61 HG2 GLN 61 9.808 -18.841 -4.778 98 HG3 GLN 61 HG3 GLN 61 10.730 -19.710 -6.004 99 HE21 GLN 61 HE21 GLN 61 11.790 -21.388 -5.260 100 HE22 GLN 61 HE22 GLN 61 12.440 -21.567 -3.670 101 H ALA 62 H ALA 62 10.537 -15.724 -8.768 102 HA ALA 62 HA ALA 62 12.644 -13.790 -8.157 103 HB1 ALA 62 HB1 ALA 62 13.760 -14.119 -10.277 104 HB2 ALA 62 HB2 ALA 62 13.728 -15.637 -9.377 105 HB3 ALA 62 HB3 ALA 62 12.608 -15.382 -10.717 106 H GLU 63 H GLU 63 12.779 -12.201 -10.161 107 HA GLU 63 HA GLU 63 10.275 -10.902 -10.299 108 HB2 GLU 63 HB2 GLU 63 12.885 -10.501 -11.746 109 HB3 GLU 63 HB3 GLU 63 11.475 -9.511 -12.096 110 HG2 GLU 63 HG2 GLU 63 11.452 -8.591 -9.933 111 HG3 GLU 63 HG3 GLU 63 12.577 -9.803 -9.322 112 H ALA 64 H ALA 64 8.643 -11.054 -11.706 113 HA ALA 64 HA ALA 64 8.986 -12.852 -14.009 114 HB1 ALA 64 HB1 ALA 64 6.319 -11.998 -12.956 115 HB2 ALA 64 HB2 ALA 64 6.761 -13.467 -13.827 116 HB3 ALA 64 HB3 ALA 64 7.238 -13.265 -12.142 117 H LYS 65 H LYS 65 9.369 -11.785 -15.836 118 HA LYS 65 HA LYS 65 8.824 -9.078 -16.300 119 HB2 LYS 65 HB2 LYS 65 9.567 -11.399 -18.028 120 HB3 LYS 65 HB3 LYS 65 9.042 -9.908 -18.798 121 HG2 LYS 65 HG2 LYS 65 10.815 -8.678 -17.710 122 HG3 LYS 65 HG3 LYS 65 11.310 -10.125 -16.830 123 HD2 LYS 65 HD2 LYS 65 11.320 -9.836 -19.834 124 HD3 LYS 65 HD3 LYS 65 12.736 -9.661 -18.795 125 HE2 LYS 65 HE2 LYS 65 12.176 -12.012 -17.954 126 HE3 LYS 65 HE3 LYS 65 11.106 -12.123 -19.351 127 HZ1 LYS 65 HZ1 LYS 65 13.513 -11.179 -20.312 128 HZ2 LYS 65 HZ2 LYS 65 12.869 -12.729 -20.521 129 HZ3 LYS 65 HZ3 LYS 65 13.922 -12.418 -19.234 130 H CYS 66 H CYS 66 7.233 -11.880 -17.838 131 HA CYS 66 HA CYS 66 4.752 -10.296 -17.926 132 HB2 CYS 66 HB2 CYS 66 6.146 -10.807 -20.150 133 HB3 CYS 66 HB3 CYS 66 5.243 -12.315 -20.056 134 HG CYS 66 HG CYS 66 4.155 -10.168 -21.777 135 HA PRO 67 HA PRO 67 4.038 -14.307 -15.707 136 HB2 PRO 67 HB2 PRO 67 2.581 -13.202 -13.701 137 HB3 PRO 67 HB3 PRO 67 4.346 -13.305 -13.663 138 HG2 PRO 67 HG2 PRO 67 2.599 -10.986 -14.389 139 HG3 PRO 67 HG3 PRO 67 4.068 -11.013 -13.396 140 HD2 PRO 67 HD2 PRO 67 4.074 -10.218 -15.984 141 HD3 PRO 67 HD3 PRO 67 5.461 -11.033 -15.233 142 H LYS 68 H LYS 68 2.088 -15.473 -15.502 143 HA LYS 68 HA LYS 68 -0.322 -14.178 -16.571 144 HB2 LYS 68 HB2 LYS 68 0.572 -16.940 -17.398 145 HB3 LYS 68 HB3 LYS 68 -0.780 -16.017 -18.041 146 HG2 LYS 68 HG2 LYS 68 1.492 -14.415 -18.407 147 HG3 LYS 68 HG3 LYS 68 1.957 -16.052 -18.878 148 HD2 LYS 68 HD2 LYS 68 -0.680 -15.178 -19.842 149 HD3 LYS 68 HD3 LYS 68 0.691 -14.284 -20.503 150 HE2 LYS 68 HE2 LYS 68 1.689 -16.680 -20.856 151 HE3 LYS 68 HE3 LYS 68 -0.001 -17.177 -20.764 152 HZ1 LYS 68 HZ1 LYS 68 -0.256 -16.559 -22.857 153 HZ2 LYS 68 HZ2 LYS 68 1.362 -16.074 -22.943 154 HZ3 LYS 68 HZ3 LYS 68 0.173 -14.968 -22.472 155 H LEU 69 H LEU 69 -2.313 -15.257 -16.021 156 HA LEU 69 HA LEU 69 -2.140 -16.554 -13.415 157 HB2 LEU 69 HB2 LEU 69 -4.448 -15.389 -14.959 158 HB3 LEU 69 HB3 LEU 69 -4.625 -16.209 -13.409 159 HG LEU 69 HG LEU 69 -3.157 -13.628 -13.939 160 HD11 LEU 69 HD11 LEU 69 -5.669 -14.284 -12.409 161 HD12 LEU 69 HD12 LEU 69 -5.542 -13.334 -13.889 162 HD13 LEU 69 HD13 LEU 69 -4.857 -12.718 -12.385 163 HD21 LEU 69 HD21 LEU 69 -3.198 -15.457 -11.582 164 HD22 LEU 69 HD22 LEU 69 -3.107 -13.714 -11.326 165 HD23 LEU 69 HD23 LEU 69 -1.861 -14.533 -12.268 166 H LEU 70 H LEU 70 -1.817 -18.692 -13.568 167 HA LEU 70 HA LEU 70 -2.424 -20.403 -15.619 168 HB2 LEU 70 HB2 LEU 70 -2.160 -20.786 -12.671 169 HB3 LEU 70 HB3 LEU 70 -2.669 -22.140 -13.679 170 HG LEU 70 HG LEU 70 -0.086 -20.613 -13.997 171 HD11 LEU 70 HD11 LEU 70 -0.339 -22.024 -11.910 172 HD12 LEU 70 HD12 LEU 70 1.017 -22.420 -12.965 173 HD13 LEU 70 HD13 LEU 70 -0.435 -23.420 -12.983 174 HD21 LEU 70 HD21 LEU 70 0.512 -22.430 -15.522 175 HD22 LEU 70 HD22 LEU 70 -0.904 -21.548 -16.092 176 HD23 LEU 70 HD23 LEU 70 -1.097 -23.125 -15.327 177 HA PRO 71 HA PRO 71 -6.751 -21.121 -15.744 178 HB2 PRO 71 HB2 PRO 71 -6.904 -23.802 -16.148 179 HB3 PRO 71 HB3 PRO 71 -6.359 -22.671 -17.393 180 HG2 PRO 71 HG2 PRO 71 -4.738 -24.401 -15.564 181 HG3 PRO 71 HG3 PRO 71 -4.517 -24.088 -17.295 182 HD2 PRO 71 HD2 PRO 71 -3.049 -22.843 -15.389 183 HD3 PRO 71 HD3 PRO 71 -3.481 -22.062 -16.923 184 H CYS 72 H CYS 72 -4.875 -22.389 -13.238 185 HA CYS 72 HA CYS 72 -7.154 -23.586 -11.850 186 HB2 CYS 72 HB2 CYS 72 -4.215 -23.790 -11.636 187 HB3 CYS 72 HB3 CYS 72 -5.088 -23.836 -10.107 188 H LEU 73 H LEU 73 -4.462 -21.720 -10.504 189 HA LEU 73 HA LEU 73 -5.774 -19.362 -9.896 190 HB2 LEU 73 HB2 LEU 73 -6.176 -19.799 -7.416 191 HB3 LEU 73 HB3 LEU 73 -7.362 -20.419 -8.562 192 HG LEU 73 HG LEU 73 -5.871 -22.609 -8.326 193 HD11 LEU 73 HD11 LEU 73 -5.316 -20.992 -5.872 194 HD12 LEU 73 HD12 LEU 73 -4.211 -21.958 -6.848 195 HD13 LEU 73 HD13 LEU 73 -5.380 -22.753 -5.793 196 HD21 LEU 73 HD21 LEU 73 -7.540 -23.477 -6.934 197 HD22 LEU 73 HD22 LEU 73 -8.334 -22.166 -7.805 198 HD23 LEU 73 HD23 LEU 73 -7.810 -21.926 -6.138 199 H HIS 74 H HIS 74 -3.202 -20.160 -10.610 200 HA HIS 74 HA HIS 74 -1.665 -19.218 -8.283 201 HB2 HIS 74 HB2 HIS 74 -0.275 -20.956 -10.245 202 HB3 HIS 74 HB3 HIS 74 -0.066 -20.835 -8.500 203 HD1 HIS 74 HD1 HIS 74 -1.902 -22.119 -7.036 204 HD2 HIS 74 HD2 HIS 74 -1.833 -23.042 -11.086 205 HE1 HIS 74 HE1 HIS 74 -3.185 -24.271 -7.256 206 H THR 75 H THR 75 0.451 -18.240 -8.914 207 HA THR 75 HA THR 75 0.170 -16.776 -11.457 208 HB THR 75 HB THR 75 1.525 -15.825 -8.926 209 HG1 THR 75 HG1 THR 75 -0.985 -15.183 -10.110 210 HG21 THR 75 HG21 THR 75 1.010 -13.655 -10.565 211 HG22 THR 75 HG22 THR 75 1.574 -14.897 -11.682 212 HG23 THR 75 HG23 THR 75 2.578 -14.421 -10.313 213 H LEU 76 H LEU 76 1.694 -17.131 -12.926 214 HA LEU 76 HA LEU 76 4.340 -18.051 -12.018 215 HB2 LEU 76 HB2 LEU 76 2.459 -19.271 -13.872 216 HB3 LEU 76 HB3 LEU 76 4.052 -19.030 -14.585 217 HG LEU 76 HG LEU 76 5.040 -20.308 -12.706 218 HD11 LEU 76 HD11 LEU 76 3.851 -20.619 -10.861 219 HD12 LEU 76 HD12 LEU 76 2.805 -21.714 -11.765 220 HD13 LEU 76 HD13 LEU 76 2.393 -20.004 -11.644 221 HD21 LEU 76 HD21 LEU 76 3.878 -21.238 -14.964 222 HD22 LEU 76 HD22 LEU 76 3.014 -22.172 -13.742 223 HD23 LEU 76 HD23 LEU 76 4.775 -22.242 -13.825 224 H CYS 77 H CYS 77 6.003 -17.798 -13.854 225 HA CYS 77 HA CYS 77 5.774 -15.054 -14.835 226 HB2 CYS 77 HB2 CYS 77 8.196 -15.169 -15.165 227 HB3 CYS 77 HB3 CYS 77 7.770 -15.645 -13.524 228 H SER 78 H SER 78 6.557 -14.534 -17.001 229 HA SER 78 HA SER 78 5.236 -15.849 -19.015 230 HB2 SER 78 HB2 SER 78 6.003 -14.118 -20.214 231 HB3 SER 78 HB3 SER 78 6.999 -13.657 -18.833 232 HG SER 78 HG SER 78 8.225 -13.976 -20.756 233 H GLY 79 H GLY 79 8.706 -16.154 -18.240 234 HA2 GLY 79 HA2 GLY 79 9.369 -18.071 -20.139 235 HA3 GLY 79 HA3 GLY 79 10.182 -17.876 -18.593 236 H CYS 80 H CYS 80 7.697 -18.454 -17.097 237 HA CYS 80 HA CYS 80 8.025 -21.289 -16.942 238 HB2 CYS 80 HB2 CYS 80 6.628 -19.197 -15.425 239 HB3 CYS 80 HB3 CYS 80 5.796 -20.748 -15.439 240 H LEU 81 H LEU 81 5.577 -19.124 -18.247 241 HA LEU 81 HA LEU 81 3.591 -21.058 -18.746 242 HB2 LEU 81 HB2 LEU 81 4.120 -18.283 -19.480 243 HB3 LEU 81 HB3 LEU 81 3.249 -19.181 -20.722 244 HG LEU 81 HG LEU 81 1.722 -17.968 -19.259 245 HD11 LEU 81 HD11 LEU 81 1.720 -20.941 -19.338 246 HD12 LEU 81 HD12 LEU 81 0.615 -19.788 -20.085 247 HD13 LEU 81 HD13 LEU 81 0.505 -20.121 -18.357 248 HD21 LEU 81 HD21 LEU 81 1.495 -18.893 -16.884 249 HD22 LEU 81 HD22 LEU 81 2.830 -17.787 -17.208 250 HD23 LEU 81 HD23 LEU 81 3.126 -19.524 -17.110 251 H GLU 82 H GLU 82 6.269 -19.847 -20.715 252 HA GLU 82 HA GLU 82 5.565 -21.478 -22.979 253 HB2 GLU 82 HB2 GLU 82 6.944 -19.204 -22.809 254 HB3 GLU 82 HB3 GLU 82 8.294 -20.324 -22.698 255 HG2 GLU 82 HG2 GLU 82 7.464 -21.389 -24.805 256 HG3 GLU 82 HG3 GLU 82 6.308 -20.066 -24.938 257 H ALA 83 H ALA 83 8.245 -21.476 -20.633 258 HA ALA 83 HA ALA 83 9.450 -23.849 -21.534 259 HB1 ALA 83 HB1 ALA 83 9.524 -22.784 -18.716 260 HB2 ALA 83 HB2 ALA 83 10.718 -23.810 -19.512 261 HB3 ALA 83 HB3 ALA 83 10.498 -22.142 -20.039 262 H SER 84 H SER 84 7.294 -23.322 -18.739 263 HA SER 84 HA SER 84 6.980 -26.165 -18.343 264 HB2 SER 84 HB2 SER 84 6.690 -23.887 -16.733 265 HB3 SER 84 HB3 SER 84 5.063 -24.548 -16.895 266 HG SER 84 HG SER 84 7.140 -25.475 -15.449 267 H GLY 85 H GLY 85 5.915 -24.460 -20.746 268 HA2 GLY 85 HA2 GLY 85 3.987 -24.332 -22.023 269 HA3 GLY 85 HA3 GLY 85 3.958 -26.057 -21.690 270 H MET 86 H MET 86 3.375 -23.261 -19.570 271 HA MET 86 HA MET 86 1.574 -22.651 -18.321 272 HB2 MET 86 HB2 MET 86 -0.214 -24.454 -19.910 273 HB3 MET 86 HB3 MET 86 -0.560 -22.876 -19.217 274 HG2 MET 86 HG2 MET 86 1.102 -21.954 -20.911 275 HG3 MET 86 HG3 MET 86 0.987 -23.526 -21.698 276 HE1 MET 86 HE1 MET 86 -2.647 -20.993 -20.740 277 HE2 MET 86 HE2 MET 86 -1.116 -21.073 -19.869 278 HE3 MET 86 HE3 MET 86 -1.283 -20.007 -21.265 279 H GLN 87 H GLN 87 3.174 -24.859 -17.519 280 HA GLN 87 HA GLN 87 1.685 -27.083 -16.670 281 HB2 GLN 87 HB2 GLN 87 4.324 -26.404 -16.625 282 HB3 GLN 87 HB3 GLN 87 3.909 -26.259 -14.922 283 HG2 GLN 87 HG2 GLN 87 4.474 -28.439 -14.927 284 HG3 GLN 87 HG3 GLN 87 2.788 -28.622 -15.412 285 HE21 GLN 87 HE21 GLN 87 2.339 -28.843 -17.689 286 HE22 GLN 87 HE22 GLN 87 3.512 -29.576 -18.723 287 H CYS 88 H CYS 88 2.180 -27.323 -13.945 288 HA CYS 88 HA CYS 88 0.833 -25.099 -12.633 289 HB2 CYS 88 HB2 CYS 88 -0.657 -27.259 -13.539 290 HB3 CYS 88 HB3 CYS 88 -0.379 -27.629 -11.841 291 HA PRO 89 HA PRO 89 4.160 -27.184 -10.133 292 HB2 PRO 89 HB2 PRO 89 5.472 -24.888 -9.518 293 HB3 PRO 89 HB3 PRO 89 5.791 -25.811 -10.990 294 HG2 PRO 89 HG2 PRO 89 4.110 -23.363 -10.618 295 HG3 PRO 89 HG3 PRO 89 5.257 -23.745 -11.915 296 HD2 PRO 89 HD2 PRO 89 2.580 -24.023 -12.208 297 HD3 PRO 89 HD3 PRO 89 3.744 -25.082 -13.028 298 H ILE 90 H ILE 90 2.584 -24.050 -9.499 299 HA ILE 90 HA ILE 90 2.741 -24.254 -6.676 300 HB ILE 90 HB ILE 90 0.701 -22.638 -8.194 301 HG12 ILE 90 HG12 ILE 90 2.934 -22.240 -9.154 302 HG13 ILE 90 HG13 ILE 90 2.348 -20.828 -8.281 303 HG21 ILE 90 HG21 ILE 90 1.337 -22.936 -5.451 304 HG22 ILE 90 HG22 ILE 90 1.827 -21.317 -5.944 305 HG23 ILE 90 HG23 ILE 90 0.164 -21.849 -6.193 306 HD11 ILE 90 HD11 ILE 90 4.780 -21.481 -7.966 307 HD12 ILE 90 HD12 ILE 90 3.833 -21.173 -6.510 308 HD13 ILE 90 HD13 ILE 90 4.175 -22.831 -7.006 309 H CYS 91 H CYS 91 0.751 -25.778 -8.961 310 HA CYS 91 HA CYS 91 -1.706 -26.026 -7.747 311 HB2 CYS 91 HB2 CYS 91 -0.596 -27.102 -9.952 312 HB3 CYS 91 HB3 CYS 91 -0.576 -28.515 -8.901 313 H GLN 92 H GLN 92 1.325 -27.464 -6.831 314 HA GLN 92 HA GLN 92 0.424 -29.563 -5.223 315 HB2 GLN 92 HB2 GLN 92 2.610 -29.285 -4.023 316 HB3 GLN 92 HB3 GLN 92 2.748 -29.422 -5.771 317 HG2 GLN 92 HG2 GLN 92 2.688 -26.802 -5.662 318 HG3 GLN 92 HG3 GLN 92 3.227 -27.079 -4.007 319 HE21 GLN 92 HE21 GLN 92 5.282 -26.374 -4.165 320 HE22 GLN 92 HE22 GLN 92 6.479 -27.080 -5.191 321 H ALA 93 H ALA 93 0.657 -26.125 -4.601 322 HA ALA 93 HA ALA 93 -0.400 -26.576 -1.887 323 HB1 ALA 93 HB1 ALA 93 0.396 -24.117 -1.597 324 HB2 ALA 93 HB2 ALA 93 1.573 -25.430 -1.539 325 HB3 ALA 93 HB3 ALA 93 1.398 -24.469 -3.007 326 HA PRO 94 HA PRO 94 -3.985 -24.835 -4.123 327 HB2 PRO 94 HB2 PRO 94 -5.821 -26.008 -2.504 328 HB3 PRO 94 HB3 PRO 94 -5.069 -26.844 -3.866 329 HG2 PRO 94 HG2 PRO 94 -4.397 -26.985 -0.953 330 HG3 PRO 94 HG3 PRO 94 -4.510 -28.297 -2.140 331 HD2 PRO 94 HD2 PRO 94 -2.143 -27.238 -1.360 332 HD3 PRO 94 HD3 PRO 94 -2.413 -27.872 -2.996 333 H TRP 95 H TRP 95 -4.182 -22.729 -3.643 334 HA TRP 95 HA TRP 95 -5.019 -22.019 -0.913 335 HB2 TRP 95 HB2 TRP 95 -3.465 -20.364 -0.695 336 HB3 TRP 95 HB3 TRP 95 -2.559 -21.407 -1.788 337 HD1 TRP 95 HD1 TRP 95 -3.344 -20.720 -4.571 338 HE1 TRP 95 HE1 TRP 95 -3.179 -18.351 -5.568 339 HE3 TRP 95 HE3 TRP 95 -3.335 -18.013 -0.235 340 HZ2 TRP 95 HZ2 TRP 95 -3.060 -15.689 -4.638 341 HZ3 TRP 95 HZ3 TRP 95 -3.193 -15.560 -0.375 342 HH2 TRP 95 HH2 TRP 95 -3.058 -14.424 -2.532 343 HA PRO 96 HA PRO 96 -8.317 -19.742 -2.697 344 HB2 PRO 96 HB2 PRO 96 -8.457 -17.551 -1.099 345 HB3 PRO 96 HB3 PRO 96 -8.950 -19.163 -0.565 346 HG2 PRO 96 HG2 PRO 96 -6.387 -17.702 -0.060 347 HG3 PRO 96 HG3 PRO 96 -7.366 -18.663 1.062 348 HD2 PRO 96 HD2 PRO 96 -5.131 -19.634 -0.121 349 HD3 PRO 96 HD3 PRO 96 -6.520 -20.663 0.286 350 H LEU 97 H LEU 97 -8.647 -18.331 -4.328 351 HA LEU 97 HA LEU 97 -6.483 -16.428 -4.928 352 HB2 LEU 97 HB2 LEU 97 -7.282 -16.550 -7.267 353 HB3 LEU 97 HB3 LEU 97 -6.686 -18.085 -6.639 354 HG LEU 97 HG LEU 97 -9.615 -17.547 -6.546 355 HD11 LEU 97 HD11 LEU 97 -9.270 -16.916 -8.774 356 HD12 LEU 97 HD12 LEU 97 -9.707 -18.622 -8.856 357 HD13 LEU 97 HD13 LEU 97 -8.020 -18.136 -9.018 358 HD21 LEU 97 HD21 LEU 97 -8.987 -20.123 -7.452 359 HD22 LEU 97 HD22 LEU 97 -9.551 -19.653 -5.849 360 HD23 LEU 97 HD23 LEU 97 -7.821 -19.757 -6.180 361 H GLY 98 H GLY 98 -7.101 -14.394 -5.945 362 HA2 GLY 98 HA2 GLY 98 -9.842 -13.547 -5.251 363 HA3 GLY 98 HA3 GLY 98 -8.451 -12.571 -4.803 364 H ALA 99 H ALA 99 -8.810 -10.770 -5.993 365 HA ALA 99 HA ALA 99 -9.258 -11.085 -8.878 366 HB1 ALA 99 HB1 ALA 99 -9.780 -8.829 -6.972 367 HB2 ALA 99 HB2 ALA 99 -9.748 -8.576 -8.717 368 HB3 ALA 99 HB3 ALA 99 -10.918 -9.689 -8.009 369 H ASP 100 H ASP 100 -6.681 -11.103 -7.093 370 HA ASP 100 HA ASP 100 -5.095 -8.916 -7.852 371 HB2 ASP 100 HB2 ASP 100 -4.106 -11.723 -7.323 372 HB3 ASP 100 HB3 ASP 100 -3.206 -10.220 -7.134 373 H THR 101 H THR 101 -5.257 -8.422 -10.009 374 HA THR 101 HA THR 101 -4.987 -10.341 -12.093 375 HB THR 101 HB THR 101 -4.391 -8.027 -13.356 376 HG1 THR 101 HG1 THR 101 -5.926 -6.516 -12.159 377 HG21 THR 101 HG21 THR 101 -7.062 -7.769 -13.276 378 HG22 THR 101 HG22 THR 101 -6.907 -9.403 -12.628 379 HG23 THR 101 HG23 THR 101 -6.244 -9.016 -14.216 380 HA PRO 102 HA PRO 102 -0.646 -10.680 -12.639 381 HB2 PRO 102 HB2 PRO 102 -0.387 -10.653 -15.342 382 HB3 PRO 102 HB3 PRO 102 -1.072 -12.021 -14.456 383 HG2 PRO 102 HG2 PRO 102 -2.475 -9.818 -15.918 384 HG3 PRO 102 HG3 PRO 102 -2.831 -11.555 -15.904 385 HD2 PRO 102 HD2 PRO 102 -4.225 -9.771 -14.419 386 HD3 PRO 102 HD3 PRO 102 -3.939 -11.440 -13.887 387 H ALA 103 H ALA 103 1.148 -9.702 -14.297 388 HA ALA 103 HA ALA 103 1.029 -6.812 -13.832 389 HB1 ALA 103 HB1 ALA 103 3.258 -8.772 -14.158 390 HB2 ALA 103 HB2 ALA 103 3.541 -7.061 -14.478 391 HB3 ALA 103 HB3 ALA 103 2.986 -7.580 -12.887 392 H LEU 104 H LEU 104 1.649 -5.319 -15.460 393 HA LEU 104 HA LEU 104 0.497 -5.652 -17.938 394 HB2 LEU 104 HB2 LEU 104 2.710 -3.838 -17.022 395 HB3 LEU 104 HB3 LEU 104 2.042 -3.755 -18.651 396 HG LEU 104 HG LEU 104 -0.230 -3.463 -17.382 397 HD11 LEU 104 HD11 LEU 104 1.829 -2.835 -15.298 398 HD12 LEU 104 HD12 LEU 104 0.352 -3.788 -15.152 399 HD13 LEU 104 HD13 LEU 104 0.257 -2.034 -15.307 400 HD21 LEU 104 HD21 LEU 104 1.904 -1.522 -18.052 401 HD22 LEU 104 HD22 LEU 104 0.538 -0.925 -17.108 402 HD23 LEU 104 HD23 LEU 104 0.264 -1.670 -18.684 Start of MODEL 12 1 H1 GLU 49 H GLU 49 3.243 4.648 1.515 2 HA GLU 49 HA GLU 49 6.124 4.170 1.397 3 HB2 GLU 49 HB2 GLU 49 4.026 2.084 1.929 4 HB3 GLU 49 HB3 GLU 49 5.545 1.664 1.152 5 HG2 GLU 49 HG2 GLU 49 6.750 2.595 3.100 6 HG3 GLU 49 HG3 GLU 49 5.196 2.875 3.884 7 H GLU 50 H GLU 50 6.884 3.568 -0.615 8 HA GLU 50 HA GLU 50 4.947 3.862 -2.798 9 HB2 GLU 50 HB2 GLU 50 6.791 5.431 -2.870 10 HB3 GLU 50 HB3 GLU 50 7.958 4.120 -2.757 11 HG2 GLU 50 HG2 GLU 50 7.683 3.496 -4.936 12 HG3 GLU 50 HG3 GLU 50 6.033 4.110 -5.021 13 H GLU 51 H GLU 51 4.795 2.381 -4.467 14 HA GLU 51 HA GLU 51 6.314 -0.117 -4.167 15 HB2 GLU 51 HB2 GLU 51 4.380 -1.465 -4.429 16 HB3 GLU 51 HB3 GLU 51 3.984 -0.278 -3.195 17 HG2 GLU 51 HG2 GLU 51 2.861 1.073 -4.970 18 HG3 GLU 51 HG3 GLU 51 3.113 -0.280 -6.072 19 H PHE 52 H PHE 52 5.598 -1.576 -6.209 20 HA PHE 52 HA PHE 52 5.775 0.149 -8.588 21 HB2 PHE 52 HB2 PHE 52 7.226 -1.714 -9.567 22 HB3 PHE 52 HB3 PHE 52 7.970 -0.692 -8.341 23 HD1 PHE 52 HD2 PHE 52 6.361 -3.976 -8.897 24 HD2 PHE 52 HD1 PHE 52 8.828 -1.609 -6.363 25 HE1 PHE 52 HE2 PHE 52 6.924 -5.978 -7.581 26 HE2 PHE 52 HE1 PHE 52 9.395 -3.607 -5.043 27 HZ PHE 52 HZ PHE 52 8.444 -5.794 -5.652 28 H GLN 53 H GLN 53 5.350 -1.218 -10.640 29 HA GLN 53 HA GLN 53 2.917 -2.784 -10.136 30 HB2 GLN 53 HB2 GLN 53 2.897 -0.675 -11.596 31 HB3 GLN 53 HB3 GLN 53 3.755 -1.638 -12.792 32 HG2 GLN 53 HG2 GLN 53 1.445 -1.668 -13.342 33 HG3 GLN 53 HG3 GLN 53 1.879 -3.266 -12.736 34 HE21 GLN 53 HE21 GLN 53 0.025 -0.409 -12.209 35 HE22 GLN 53 HE22 GLN 53 -0.871 -0.981 -10.848 36 H PHE 54 H PHE 54 4.558 -4.529 -9.581 37 HA PHE 54 HA PHE 54 4.857 -6.226 -11.919 38 HB2 PHE 54 HB2 PHE 54 7.130 -5.020 -10.456 39 HB3 PHE 54 HB3 PHE 54 7.268 -6.740 -10.809 40 HD1 PHE 54 HD1 PHE 54 7.115 -3.379 -12.227 41 HD2 PHE 54 HD2 PHE 54 7.449 -7.535 -13.084 42 HE1 PHE 54 HE1 PHE 54 7.838 -2.845 -14.518 43 HE2 PHE 54 HE2 PHE 54 8.172 -7.008 -15.376 44 HZ PHE 54 HZ PHE 54 8.366 -4.660 -16.096 45 H LEU 55 H LEU 55 5.085 -8.451 -11.415 46 HA LEU 55 HA LEU 55 4.251 -9.097 -8.670 47 HB2 LEU 55 HB2 LEU 55 3.995 -10.869 -11.085 48 HB3 LEU 55 HB3 LEU 55 3.192 -11.037 -9.524 49 HG LEU 55 HG LEU 55 2.646 -8.672 -11.283 50 HD11 LEU 55 HD11 LEU 55 1.753 -11.476 -11.649 51 HD12 LEU 55 HD12 LEU 55 2.031 -10.209 -12.843 52 HD13 LEU 55 HD13 LEU 55 0.560 -10.195 -11.870 53 HD21 LEU 55 HD21 LEU 55 1.333 -10.039 -8.971 54 HD22 LEU 55 HD22 LEU 55 0.372 -9.075 -10.094 55 HD23 LEU 55 HD23 LEU 55 1.700 -8.328 -9.203 56 H ARG 56 H ARG 56 4.780 -11.762 -8.562 57 HA ARG 56 HA ARG 56 7.582 -12.177 -9.233 58 HB2 ARG 56 HB2 ARG 56 7.518 -11.027 -7.000 59 HB3 ARG 56 HB3 ARG 56 6.632 -12.412 -6.376 60 HG2 ARG 56 HG2 ARG 56 9.042 -13.238 -7.731 61 HG3 ARG 56 HG3 ARG 56 9.385 -12.077 -6.445 62 HD2 ARG 56 HD2 ARG 56 7.829 -14.647 -6.180 63 HD3 ARG 56 HD3 ARG 56 9.458 -14.343 -5.580 64 HE ARG 56 HE ARG 56 7.902 -12.415 -4.413 65 HH11 ARG 56 HH11 ARG 56 7.891 -15.895 -4.519 66 HH12 ARG 56 HH12 ARG 56 7.178 -16.071 -2.950 67 HH21 ARG 56 HH21 ARG 56 6.962 -12.633 -2.346 68 HH22 ARG 56 HH22 ARG 56 6.649 -14.215 -1.715 69 H CYS 57 H CYS 57 7.663 -14.122 -10.121 70 HA CYS 57 HA CYS 57 5.674 -16.017 -10.174 71 HB2 CYS 57 HB2 CYS 57 7.798 -15.906 -11.581 72 HB3 CYS 57 HB3 CYS 57 8.603 -16.737 -10.254 73 H GLN 58 H GLN 58 4.769 -17.194 -8.634 74 HA GLN 58 HA GLN 58 5.983 -17.501 -6.057 75 HB2 GLN 58 HB2 GLN 58 3.473 -18.765 -7.173 76 HB3 GLN 58 HB3 GLN 58 3.946 -18.738 -5.479 77 HG2 GLN 58 HG2 GLN 58 3.374 -16.295 -7.140 78 HG3 GLN 58 HG3 GLN 58 2.227 -17.067 -6.047 79 HE21 GLN 58 HE21 GLN 58 3.621 -17.612 -3.854 80 HE22 GLN 58 HE22 GLN 58 4.271 -16.177 -3.145 81 H GLN 59 H GLN 59 6.615 -19.013 -8.861 82 HA GLN 59 HA GLN 59 7.178 -21.591 -7.550 83 HB2 GLN 59 HB2 GLN 59 6.513 -22.715 -9.390 84 HB3 GLN 59 HB3 GLN 59 5.636 -21.236 -9.755 85 HG2 GLN 59 HG2 GLN 59 6.689 -21.335 -11.716 86 HG3 GLN 59 HG3 GLN 59 8.072 -20.694 -10.828 87 HE21 GLN 59 HE21 GLN 59 9.870 -21.878 -10.702 88 HE22 GLN 59 HE22 GLN 59 10.032 -23.502 -11.267 89 H CYS 60 H CYS 60 8.477 -18.861 -9.171 90 HA CYS 60 HA CYS 60 11.097 -20.184 -9.406 91 HB2 CYS 60 HB2 CYS 60 9.796 -17.952 -10.914 92 HB3 CYS 60 HB3 CYS 60 11.553 -17.990 -10.792 93 H GLN 61 H GLN 61 9.325 -17.656 -7.852 94 HA GLN 61 HA GLN 61 9.846 -16.228 -6.159 95 HB2 GLN 61 HB2 GLN 61 12.459 -17.705 -5.880 96 HB3 GLN 61 HB3 GLN 61 11.585 -16.811 -4.643 97 HG2 GLN 61 HG2 GLN 61 9.823 -18.477 -4.651 98 HG3 GLN 61 HG3 GLN 61 10.642 -19.359 -5.938 99 HE21 GLN 61 HE21 GLN 61 11.749 -21.043 -5.280 100 HE22 GLN 61 HE22 GLN 61 12.499 -21.237 -3.736 101 H ALA 62 H ALA 62 10.464 -15.468 -8.803 102 HA ALA 62 HA ALA 62 12.525 -13.478 -8.251 103 HB1 ALA 62 HB1 ALA 62 13.782 -13.891 -10.220 104 HB2 ALA 62 HB2 ALA 62 13.604 -15.441 -9.396 105 HB3 ALA 62 HB3 ALA 62 12.608 -15.070 -10.803 106 H GLU 63 H GLU 63 12.675 -12.020 -10.382 107 HA GLU 63 HA GLU 63 10.150 -10.770 -10.614 108 HB2 GLU 63 HB2 GLU 63 12.797 -10.408 -11.980 109 HB3 GLU 63 HB3 GLU 63 11.383 -9.526 -12.540 110 HG2 GLU 63 HG2 GLU 63 12.152 -7.992 -11.084 111 HG3 GLU 63 HG3 GLU 63 11.216 -8.957 -9.944 112 H ALA 64 H ALA 64 8.540 -11.015 -12.036 113 HA ALA 64 HA ALA 64 8.961 -12.895 -14.266 114 HB1 ALA 64 HB1 ALA 64 7.349 -13.592 -12.492 115 HB2 ALA 64 HB2 ALA 64 6.339 -12.218 -12.946 116 HB3 ALA 64 HB3 ALA 64 6.656 -13.503 -14.111 117 H LYS 65 H LYS 65 9.142 -11.909 -16.161 118 HA LYS 65 HA LYS 65 8.401 -9.238 -16.658 119 HB2 LYS 65 HB2 LYS 65 9.283 -11.536 -18.358 120 HB3 LYS 65 HB3 LYS 65 8.641 -10.098 -19.139 121 HG2 LYS 65 HG2 LYS 65 10.779 -9.430 -19.100 122 HG3 LYS 65 HG3 LYS 65 10.405 -8.976 -17.434 123 HD2 LYS 65 HD2 LYS 65 12.412 -10.208 -17.318 124 HD3 LYS 65 HD3 LYS 65 11.147 -11.319 -16.788 125 HE2 LYS 65 HE2 LYS 65 12.438 -12.598 -18.250 126 HE3 LYS 65 HE3 LYS 65 11.071 -12.083 -19.237 127 HZ1 LYS 65 HZ1 LYS 65 12.376 -10.507 -20.339 128 HZ2 LYS 65 HZ2 LYS 65 13.365 -11.877 -20.251 129 HZ3 LYS 65 HZ3 LYS 65 13.618 -10.580 -19.193 130 H CYS 66 H CYS 66 7.068 -12.116 -18.290 131 HA CYS 66 HA CYS 66 4.472 -10.727 -18.391 132 HB2 CYS 66 HB2 CYS 66 5.850 -11.390 -20.552 133 HB3 CYS 66 HB3 CYS 66 5.123 -12.966 -20.260 134 HG CYS 66 HG CYS 66 3.412 -10.048 -20.787 135 HA PRO 67 HA PRO 67 3.971 -14.495 -15.711 136 HB2 PRO 67 HB2 PRO 67 2.565 -13.219 -13.770 137 HB3 PRO 67 HB3 PRO 67 4.331 -13.282 -13.793 138 HG2 PRO 67 HG2 PRO 67 2.502 -11.085 -14.681 139 HG3 PRO 67 HG3 PRO 67 4.008 -10.980 -13.751 140 HD2 PRO 67 HD2 PRO 67 3.897 -10.455 -16.405 141 HD3 PRO 67 HD3 PRO 67 5.330 -11.160 -15.630 142 H LYS 68 H LYS 68 2.164 -15.771 -15.607 143 HA LYS 68 HA LYS 68 -0.343 -14.617 -16.641 144 HB2 LYS 68 HB2 LYS 68 0.776 -17.374 -17.178 145 HB3 LYS 68 HB3 LYS 68 -0.793 -16.793 -17.719 146 HG2 LYS 68 HG2 LYS 68 1.905 -15.754 -18.559 147 HG3 LYS 68 HG3 LYS 68 0.768 -16.685 -19.538 148 HD2 LYS 68 HD2 LYS 68 0.274 -13.930 -18.406 149 HD3 LYS 68 HD3 LYS 68 0.693 -14.294 -20.082 150 HE2 LYS 68 HE2 LYS 68 -1.524 -14.332 -20.413 151 HE3 LYS 68 HE3 LYS 68 -1.448 -15.932 -19.678 152 HZ1 LYS 68 HZ1 LYS 68 -3.039 -14.010 -18.797 153 HZ2 LYS 68 HZ2 LYS 68 -1.677 -13.679 -17.851 154 HZ3 LYS 68 HZ3 LYS 68 -2.402 -15.206 -17.784 155 H LEU 69 H LEU 69 -2.304 -15.680 -15.936 156 HA LEU 69 HA LEU 69 -2.018 -16.768 -13.225 157 HB2 LEU 69 HB2 LEU 69 -3.988 -15.055 -14.578 158 HB3 LEU 69 HB3 LEU 69 -4.668 -16.265 -13.491 159 HG LEU 69 HG LEU 69 -2.628 -14.182 -12.713 160 HD11 LEU 69 HD11 LEU 69 -5.292 -14.085 -11.520 161 HD12 LEU 69 HD12 LEU 69 -5.268 -13.742 -13.251 162 HD13 LEU 69 HD13 LEU 69 -4.278 -12.785 -12.148 163 HD21 LEU 69 HD21 LEU 69 -3.632 -16.584 -11.427 164 HD22 LEU 69 HD22 LEU 69 -3.898 -15.136 -10.455 165 HD23 LEU 69 HD23 LEU 69 -2.270 -15.551 -10.991 166 H LEU 70 H LEU 70 -1.768 -18.937 -13.505 167 HA LEU 70 HA LEU 70 -2.865 -20.590 -15.397 168 HB2 LEU 70 HB2 LEU 70 -2.015 -21.004 -12.570 169 HB3 LEU 70 HB3 LEU 70 -2.830 -22.318 -13.417 170 HG LEU 70 HG LEU 70 -0.433 -22.617 -13.515 171 HD11 LEU 70 HD11 LEU 70 -0.147 -22.737 -15.957 172 HD12 LEU 70 HD12 LEU 70 -1.609 -21.773 -16.160 173 HD13 LEU 70 HD13 LEU 70 -1.705 -23.374 -15.427 174 HD21 LEU 70 HD21 LEU 70 0.098 -20.174 -13.285 175 HD22 LEU 70 HD22 LEU 70 -0.274 -20.002 -15.001 176 HD23 LEU 70 HD23 LEU 70 1.059 -21.039 -14.486 177 HA PRO 71 HA PRO 71 -7.157 -21.098 -14.647 178 HB2 PRO 71 HB2 PRO 71 -7.522 -23.775 -14.914 179 HB3 PRO 71 HB3 PRO 71 -7.174 -22.712 -16.282 180 HG2 PRO 71 HG2 PRO 71 -5.318 -24.482 -14.739 181 HG3 PRO 71 HG3 PRO 71 -5.423 -24.227 -16.491 182 HD2 PRO 71 HD2 PRO 71 -3.551 -23.021 -14.952 183 HD3 PRO 71 HD3 PRO 71 -4.233 -22.256 -16.403 184 H CYS 72 H CYS 72 -4.901 -22.318 -12.483 185 HA CYS 72 HA CYS 72 -6.961 -23.279 -10.620 186 HB2 CYS 72 HB2 CYS 72 -3.954 -23.611 -10.534 187 HB3 CYS 72 HB3 CYS 72 -5.081 -24.259 -9.347 188 H LEU 73 H LEU 73 -5.818 -20.442 -11.365 189 HA LEU 73 HA LEU 73 -5.752 -18.443 -10.270 190 HB2 LEU 73 HB2 LEU 73 -6.180 -19.863 -7.665 191 HB3 LEU 73 HB3 LEU 73 -6.637 -18.221 -8.116 192 HG LEU 73 HG LEU 73 -7.976 -20.806 -8.861 193 HD11 LEU 73 HD11 LEU 73 -9.813 -18.864 -8.095 194 HD12 LEU 73 HD12 LEU 73 -8.454 -18.665 -6.989 195 HD13 LEU 73 HD13 LEU 73 -9.248 -20.232 -7.135 196 HD21 LEU 73 HD21 LEU 73 -8.212 -19.856 -10.905 197 HD22 LEU 73 HD22 LEU 73 -7.948 -18.220 -10.301 198 HD23 LEU 73 HD23 LEU 73 -9.516 -18.999 -10.083 199 H HIS 74 H HIS 74 -3.410 -19.967 -10.754 200 HA HIS 74 HA HIS 74 -1.737 -19.377 -8.412 201 HB2 HIS 74 HB2 HIS 74 -1.053 -21.028 -10.853 202 HB3 HIS 74 HB3 HIS 74 -0.077 -20.860 -9.397 203 HD1 HIS 74 HD1 HIS 74 -3.141 -21.119 -7.887 204 HD2 HIS 74 HD2 HIS 74 -0.894 -23.852 -10.065 205 HE1 HIS 74 HE1 HIS 74 -3.979 -23.386 -7.191 206 H THR 75 H THR 75 0.488 -18.561 -8.916 207 HA THR 75 HA THR 75 0.376 -16.592 -11.108 208 HB THR 75 HB THR 75 1.927 -16.232 -8.545 209 HG1 THR 75 HG1 THR 75 -0.427 -16.347 -8.252 210 HG21 THR 75 HG21 THR 75 0.991 -13.888 -10.012 211 HG22 THR 75 HG22 THR 75 2.080 -14.907 -10.953 212 HG23 THR 75 HG23 THR 75 2.598 -14.269 -9.393 213 H LEU 76 H LEU 76 1.794 -16.985 -12.664 214 HA LEU 76 HA LEU 76 4.418 -18.100 -11.940 215 HB2 LEU 76 HB2 LEU 76 2.389 -19.228 -13.668 216 HB3 LEU 76 HB3 LEU 76 3.907 -18.978 -14.528 217 HG LEU 76 HG LEU 76 5.047 -20.306 -12.745 218 HD11 LEU 76 HD11 LEU 76 2.435 -20.119 -11.553 219 HD12 LEU 76 HD12 LEU 76 3.950 -20.693 -10.856 220 HD13 LEU 76 HD13 LEU 76 2.914 -21.805 -11.750 221 HD21 LEU 76 HD21 LEU 76 3.003 -22.154 -13.761 222 HD22 LEU 76 HD22 LEU 76 4.756 -22.175 -13.958 223 HD23 LEU 76 HD23 LEU 76 3.765 -21.137 -14.984 224 H CYS 77 H CYS 77 5.973 -17.873 -13.883 225 HA CYS 77 HA CYS 77 5.738 -15.110 -14.844 226 HB2 CYS 77 HB2 CYS 77 8.177 -15.237 -15.204 227 HB3 CYS 77 HB3 CYS 77 7.738 -15.584 -13.535 228 H SER 78 H SER 78 7.073 -14.822 -16.996 229 HA SER 78 HA SER 78 5.599 -16.097 -19.029 230 HB2 SER 78 HB2 SER 78 7.087 -14.938 -20.586 231 HB3 SER 78 HB3 SER 78 6.615 -13.855 -19.277 232 HG SER 78 HG SER 78 9.084 -14.744 -19.984 233 H GLY 79 H GLY 79 9.058 -16.403 -18.195 234 HA2 GLY 79 HA2 GLY 79 9.752 -18.390 -19.983 235 HA3 GLY 79 HA3 GLY 79 10.499 -18.180 -18.406 236 H CYS 80 H CYS 80 7.947 -18.681 -17.006 237 HA CYS 80 HA CYS 80 8.207 -21.520 -16.792 238 HB2 CYS 80 HB2 CYS 80 6.739 -19.378 -15.384 239 HB3 CYS 80 HB3 CYS 80 5.971 -20.963 -15.354 240 H LEU 81 H LEU 81 5.959 -19.330 -18.339 241 HA LEU 81 HA LEU 81 3.909 -21.223 -18.843 242 HB2 LEU 81 HB2 LEU 81 4.582 -18.490 -19.723 243 HB3 LEU 81 HB3 LEU 81 3.585 -19.429 -20.832 244 HG LEU 81 HG LEU 81 2.192 -18.049 -19.420 245 HD11 LEU 81 HD11 LEU 81 2.056 -20.932 -19.496 246 HD12 LEU 81 HD12 LEU 81 0.769 -19.737 -19.662 247 HD13 LEU 81 HD13 LEU 81 1.264 -20.283 -18.059 248 HD21 LEU 81 HD21 LEU 81 3.830 -19.266 -17.249 249 HD22 LEU 81 HD22 LEU 81 2.157 -18.820 -16.912 250 HD23 LEU 81 HD23 LEU 81 3.302 -17.596 -17.464 251 H GLU 82 H GLU 82 6.669 -20.076 -20.746 252 HA GLU 82 HA GLU 82 6.035 -21.738 -23.000 253 HB2 GLU 82 HB2 GLU 82 7.436 -19.499 -22.841 254 HB3 GLU 82 HB3 GLU 82 8.769 -20.616 -22.585 255 HG2 GLU 82 HG2 GLU 82 8.477 -21.613 -24.695 256 HG3 GLU 82 HG3 GLU 82 6.899 -20.859 -24.917 257 H ALA 83 H ALA 83 8.495 -21.806 -20.437 258 HA ALA 83 HA ALA 83 9.728 -24.205 -21.278 259 HB1 ALA 83 HB1 ALA 83 10.933 -24.142 -19.257 260 HB2 ALA 83 HB2 ALA 83 10.664 -22.455 -19.698 261 HB3 ALA 83 HB3 ALA 83 9.677 -23.208 -18.444 262 H SER 84 H SER 84 7.386 -23.581 -18.663 263 HA SER 84 HA SER 84 6.970 -26.425 -18.287 264 HB2 SER 84 HB2 SER 84 5.197 -24.468 -16.932 265 HB3 SER 84 HB3 SER 84 6.018 -25.886 -16.280 266 HG SER 84 HG SER 84 6.737 -23.508 -15.823 267 H GLY 85 H GLY 85 6.092 -24.703 -20.720 268 HA2 GLY 85 HA2 GLY 85 4.211 -24.448 -22.055 269 HA3 GLY 85 HA3 GLY 85 4.085 -26.172 -21.738 270 H MET 86 H MET 86 3.539 -23.323 -19.674 271 HA MET 86 HA MET 86 1.723 -22.633 -18.491 272 HB2 MET 86 HB2 MET 86 -0.008 -24.417 -20.185 273 HB3 MET 86 HB3 MET 86 -0.431 -22.895 -19.411 274 HG2 MET 86 HG2 MET 86 0.954 -21.675 -20.968 275 HG3 MET 86 HG3 MET 86 1.497 -23.182 -21.703 276 HE1 MET 86 HE1 MET 86 0.861 -23.736 -23.741 277 HE2 MET 86 HE2 MET 86 -0.437 -24.823 -23.246 278 HE3 MET 86 HE3 MET 86 -0.721 -23.630 -24.514 279 H GLN 87 H GLN 87 3.222 -24.859 -17.581 280 HA GLN 87 HA GLN 87 1.557 -26.979 -16.710 281 HB2 GLN 87 HB2 GLN 87 4.246 -26.564 -16.767 282 HB3 GLN 87 HB3 GLN 87 3.912 -26.348 -15.055 283 HG2 GLN 87 HG2 GLN 87 3.682 -28.528 -14.737 284 HG3 GLN 87 HG3 GLN 87 2.569 -28.678 -16.096 285 HE21 GLN 87 HE21 GLN 87 3.402 -30.559 -16.891 286 HE22 GLN 87 HE22 GLN 87 4.974 -30.681 -17.598 287 H CYS 88 H CYS 88 2.131 -27.226 -13.997 288 HA CYS 88 HA CYS 88 0.992 -24.871 -12.702 289 HB2 CYS 88 HB2 CYS 88 -0.588 -27.095 -13.403 290 HB3 CYS 88 HB3 CYS 88 -0.317 -27.222 -11.668 291 HA PRO 89 HA PRO 89 4.354 -26.951 -10.272 292 HB2 PRO 89 HB2 PRO 89 5.696 -24.655 -9.725 293 HB3 PRO 89 HB3 PRO 89 5.960 -25.594 -11.199 294 HG2 PRO 89 HG2 PRO 89 4.303 -23.134 -10.789 295 HG3 PRO 89 HG3 PRO 89 5.400 -23.533 -12.123 296 HD2 PRO 89 HD2 PRO 89 2.713 -23.802 -12.317 297 HD3 PRO 89 HD3 PRO 89 3.844 -24.873 -13.169 298 H ILE 90 H ILE 90 2.648 -23.898 -9.652 299 HA ILE 90 HA ILE 90 2.997 -23.874 -6.859 300 HB ILE 90 HB ILE 90 0.630 -22.707 -8.316 301 HG12 ILE 90 HG12 ILE 90 2.611 -21.992 -9.506 302 HG13 ILE 90 HG13 ILE 90 2.022 -20.648 -8.534 303 HG21 ILE 90 HG21 ILE 90 0.775 -21.010 -6.514 304 HG22 ILE 90 HG22 ILE 90 0.425 -22.633 -5.922 305 HG23 ILE 90 HG23 ILE 90 2.051 -21.968 -5.763 306 HD11 ILE 90 HD11 ILE 90 4.416 -22.388 -8.055 307 HD12 ILE 90 HD12 ILE 90 4.347 -20.639 -8.280 308 HD13 ILE 90 HD13 ILE 90 3.726 -21.362 -6.796 309 H CYS 91 H CYS 91 1.089 -25.857 -8.843 310 HA CYS 91 HA CYS 91 -1.056 -26.365 -7.031 311 HB2 CYS 91 HB2 CYS 91 -0.325 -27.146 -9.677 312 HB3 CYS 91 HB3 CYS 91 -0.643 -28.604 -8.743 313 H GLN 92 H GLN 92 2.170 -27.109 -6.868 314 HA GLN 92 HA GLN 92 2.254 -29.752 -5.987 315 HB2 GLN 92 HB2 GLN 92 3.969 -27.362 -5.336 316 HB3 GLN 92 HB3 GLN 92 4.316 -28.964 -4.697 317 HG2 GLN 92 HG2 GLN 92 3.919 -28.743 -7.618 318 HG3 GLN 92 HG3 GLN 92 5.387 -28.034 -6.947 319 HE21 GLN 92 HE21 GLN 92 3.631 -30.954 -7.558 320 HE22 GLN 92 HE22 GLN 92 4.913 -32.050 -7.184 321 H ALA 93 H ALA 93 1.441 -26.793 -4.278 322 HA ALA 93 HA ALA 93 0.458 -28.420 -2.047 323 HB1 ALA 93 HB1 ALA 93 2.781 -27.383 -1.622 324 HB2 ALA 93 HB2 ALA 93 1.903 -25.861 -1.474 325 HB3 ALA 93 HB3 ALA 93 1.534 -27.201 -0.388 326 HA PRO 94 HA PRO 94 -3.111 -25.872 -2.343 327 HB2 PRO 94 HB2 PRO 94 -4.036 -26.039 0.205 328 HB3 PRO 94 HB3 PRO 94 -4.136 -27.379 -0.943 329 HG2 PRO 94 HG2 PRO 94 -2.147 -26.901 1.243 330 HG3 PRO 94 HG3 PRO 94 -2.961 -28.407 0.780 331 HD2 PRO 94 HD2 PRO 94 -0.419 -27.839 0.042 332 HD3 PRO 94 HD3 PRO 94 -1.516 -28.796 -0.973 333 H TRP 95 H TRP 95 -1.136 -24.152 -2.423 334 HA TRP 95 HA TRP 95 -0.834 -22.457 -0.169 335 HB2 TRP 95 HB2 TRP 95 0.621 -21.275 -1.467 336 HB3 TRP 95 HB3 TRP 95 0.535 -22.724 -2.463 337 HD1 TRP 95 HD1 TRP 95 -1.784 -22.450 -4.295 338 HE1 TRP 95 HE1 TRP 95 -2.123 -20.469 -5.904 339 HE3 TRP 95 HE3 TRP 95 1.176 -18.994 -1.964 340 HZ2 TRP 95 HZ2 TRP 95 -1.250 -17.796 -6.153 341 HZ3 TRP 95 HZ3 TRP 95 1.371 -16.749 -2.952 342 HH2 TRP 95 HH2 TRP 95 0.182 -16.165 -5.004 343 HA PRO 96 HA PRO 96 -4.342 -19.829 -0.322 344 HB2 PRO 96 HB2 PRO 96 -3.277 -17.394 0.232 345 HB3 PRO 96 HB3 PRO 96 -3.436 -18.672 1.444 346 HG2 PRO 96 HG2 PRO 96 -1.035 -17.861 -0.150 347 HG3 PRO 96 HG3 PRO 96 -1.148 -18.275 1.571 348 HD2 PRO 96 HD2 PRO 96 -0.248 -20.022 -0.292 349 HD3 PRO 96 HD3 PRO 96 -1.136 -20.542 1.154 350 H LEU 97 H LEU 97 -5.429 -19.273 -2.094 351 HA LEU 97 HA LEU 97 -4.033 -17.771 -4.204 352 HB2 LEU 97 HB2 LEU 97 -6.197 -18.567 -5.488 353 HB3 LEU 97 HB3 LEU 97 -4.781 -19.602 -5.314 354 HG LEU 97 HG LEU 97 -6.952 -19.815 -3.285 355 HD11 LEU 97 HD11 LEU 97 -7.114 -20.789 -6.121 356 HD12 LEU 97 HD12 LEU 97 -8.311 -19.879 -5.199 357 HD13 LEU 97 HD13 LEU 97 -7.991 -21.568 -4.803 358 HD21 LEU 97 HD21 LEU 97 -4.572 -21.137 -3.812 359 HD22 LEU 97 HD22 LEU 97 -5.820 -22.236 -4.400 360 HD23 LEU 97 HD23 LEU 97 -5.858 -21.671 -2.729 361 H GLY 98 H GLY 98 -5.934 -16.619 -5.619 362 HA2 GLY 98 HA2 GLY 98 -8.083 -15.438 -4.245 363 HA3 GLY 98 HA3 GLY 98 -6.690 -14.374 -4.113 364 H ALA 99 H ALA 99 -7.684 -12.750 -5.331 365 HA ALA 99 HA ALA 99 -8.222 -13.390 -8.149 366 HB1 ALA 99 HB1 ALA 99 -10.015 -12.289 -6.794 367 HB2 ALA 99 HB2 ALA 99 -8.973 -10.870 -6.681 368 HB3 ALA 99 HB3 ALA 99 -9.552 -11.417 -8.256 369 H ASP 100 H ASP 100 -5.578 -12.822 -6.698 370 HA ASP 100 HA ASP 100 -4.493 -10.387 -7.404 371 HB2 ASP 100 HB2 ASP 100 -2.296 -11.704 -7.584 372 HB3 ASP 100 HB3 ASP 100 -3.161 -11.777 -6.051 373 H THR 101 H THR 101 -4.842 -9.489 -9.349 374 HA THR 101 HA THR 101 -4.942 -10.939 -11.787 375 HB THR 101 HB THR 101 -4.539 -8.468 -12.700 376 HG1 THR 101 HG1 THR 101 -5.717 -7.860 -10.213 377 HG21 THR 101 HG21 THR 101 -6.610 -9.243 -13.231 378 HG22 THR 101 HG22 THR 101 -7.091 -8.128 -11.952 379 HG23 THR 101 HG23 THR 101 -6.919 -9.848 -11.605 380 HA PRO 102 HA PRO 102 -0.748 -11.170 -13.060 381 HB2 PRO 102 HB2 PRO 102 -0.925 -10.664 -15.722 382 HB3 PRO 102 HB3 PRO 102 -1.492 -12.170 -14.990 383 HG2 PRO 102 HG2 PRO 102 -3.059 -9.751 -15.796 384 HG3 PRO 102 HG3 PRO 102 -3.448 -11.465 -16.030 385 HD2 PRO 102 HD2 PRO 102 -4.543 -9.979 -14.049 386 HD3 PRO 102 HD3 PRO 102 -4.215 -11.715 -13.871 387 H ALA 103 H ALA 103 0.841 -9.925 -14.680 388 HA ALA 103 HA ALA 103 0.820 -7.147 -13.760 389 HB1 ALA 103 HB1 ALA 103 3.205 -7.168 -14.547 390 HB2 ALA 103 HB2 ALA 103 2.837 -8.288 -13.234 391 HB3 ALA 103 HB3 ALA 103 3.004 -8.887 -14.884 392 H LEU 104 H LEU 104 1.241 -5.404 -15.186 393 HA LEU 104 HA LEU 104 -0.223 -5.338 -17.518 394 HB2 LEU 104 HB2 LEU 104 2.055 -3.671 -16.519 395 HB3 LEU 104 HB3 LEU 104 1.335 -3.355 -18.097 396 HG LEU 104 HG LEU 104 -0.874 -3.091 -16.900 397 HD11 LEU 104 HD11 LEU 104 0.937 -3.539 -14.594 398 HD12 LEU 104 HD12 LEU 104 -0.752 -3.995 -14.818 399 HD13 LEU 104 HD13 LEU 104 -0.335 -2.328 -14.420 400 HD21 LEU 104 HD21 LEU 104 0.731 -1.245 -17.657 401 HD22 LEU 104 HD22 LEU 104 1.167 -1.104 -15.954 402 HD23 LEU 104 HD23 LEU 104 -0.498 -0.825 -16.464 Start of MODEL 13 1 H1 GLU 49 H GLU 49 -1.469 7.078 -8.407 2 HA GLU 49 HA GLU 49 -0.930 6.222 -6.177 3 HB2 GLU 49 HB2 GLU 49 -3.349 5.076 -7.548 4 HB3 GLU 49 HB3 GLU 49 -3.016 4.729 -5.857 5 HG2 GLU 49 HG2 GLU 49 -3.411 7.459 -7.061 6 HG3 GLU 49 HG3 GLU 49 -4.579 6.569 -6.086 7 H GLU 50 H GLU 50 0.630 4.720 -8.231 8 HA GLU 50 HA GLU 50 0.646 2.109 -6.866 9 HB2 GLU 50 HB2 GLU 50 -0.073 2.293 -9.397 10 HB3 GLU 50 HB3 GLU 50 1.663 2.384 -9.662 11 HG2 GLU 50 HG2 GLU 50 0.806 0.105 -9.887 12 HG3 GLU 50 HG3 GLU 50 1.981 0.250 -8.580 13 H GLU 51 H GLU 51 2.355 2.079 -5.561 14 HA GLU 51 HA GLU 51 4.709 3.641 -6.081 15 HB2 GLU 51 HB2 GLU 51 3.980 1.660 -3.929 16 HB3 GLU 51 HB3 GLU 51 5.559 2.429 -4.009 17 HG2 GLU 51 HG2 GLU 51 4.056 4.614 -4.129 18 HG3 GLU 51 HG3 GLU 51 2.929 3.563 -3.272 19 H PHE 52 H PHE 52 3.754 0.291 -6.418 20 HA PHE 52 HA PHE 52 5.908 -0.250 -8.204 21 HB2 PHE 52 HB2 PHE 52 6.746 -0.467 -5.669 22 HB3 PHE 52 HB3 PHE 52 6.042 -2.070 -5.857 23 HD1 PHE 52 HD2 PHE 52 8.171 0.226 -7.895 24 HD2 PHE 52 HD1 PHE 52 7.529 -3.712 -6.414 25 HE1 PHE 52 HE2 PHE 52 10.216 -0.532 -9.036 26 HE2 PHE 52 HE1 PHE 52 9.573 -4.476 -7.551 27 HZ PHE 52 HZ PHE 52 10.919 -2.886 -8.865 28 H GLN 53 H GLN 53 4.790 -1.310 -9.700 29 HA GLN 53 HA GLN 53 2.819 -3.315 -8.840 30 HB2 GLN 53 HB2 GLN 53 2.001 -3.094 -11.240 31 HB3 GLN 53 HB3 GLN 53 1.736 -1.710 -10.189 32 HG2 GLN 53 HG2 GLN 53 4.226 -1.743 -11.789 33 HG3 GLN 53 HG3 GLN 53 2.708 -1.483 -12.647 34 HE21 GLN 53 HE21 GLN 53 1.616 0.415 -12.391 35 HE22 GLN 53 HE22 GLN 53 2.246 1.767 -11.519 36 H PHE 54 H PHE 54 4.913 -4.590 -8.473 37 HA PHE 54 HA PHE 54 5.500 -6.090 -10.936 38 HB2 PHE 54 HB2 PHE 54 7.364 -4.825 -9.023 39 HB3 PHE 54 HB3 PHE 54 7.776 -6.467 -9.510 40 HD1 PHE 54 HD2 PHE 54 7.462 -6.839 -12.167 41 HD2 PHE 54 HD1 PHE 54 8.315 -3.141 -10.238 42 HE1 PHE 54 HE2 PHE 54 8.431 -5.975 -14.257 43 HE2 PHE 54 HE1 PHE 54 9.285 -2.272 -12.326 44 HZ PHE 54 HZ PHE 54 9.346 -3.691 -14.338 45 H LEU 55 H LEU 55 4.997 -8.168 -10.785 46 HA LEU 55 HA LEU 55 4.287 -9.298 -8.214 47 HB2 LEU 55 HB2 LEU 55 4.304 -10.837 -10.776 48 HB3 LEU 55 HB3 LEU 55 3.238 -11.003 -9.383 49 HG LEU 55 HG LEU 55 3.144 -8.609 -11.201 50 HD11 LEU 55 HD11 LEU 55 2.478 -11.265 -11.893 51 HD12 LEU 55 HD12 LEU 55 2.153 -9.785 -12.795 52 HD13 LEU 55 HD13 LEU 55 0.966 -10.392 -11.641 53 HD21 LEU 55 HD21 LEU 55 2.036 -9.017 -8.755 54 HD22 LEU 55 HD22 LEU 55 0.752 -9.599 -9.817 55 HD23 LEU 55 HD23 LEU 55 1.367 -7.955 -9.994 56 H ARG 56 H ARG 56 4.899 -11.907 -8.359 57 HA ARG 56 HA ARG 56 7.705 -12.261 -8.979 58 HB2 ARG 56 HB2 ARG 56 7.610 -11.192 -6.692 59 HB3 ARG 56 HB3 ARG 56 6.779 -12.636 -6.132 60 HG2 ARG 56 HG2 ARG 56 9.207 -13.303 -7.545 61 HG3 ARG 56 HG3 ARG 56 9.515 -12.204 -6.200 62 HD2 ARG 56 HD2 ARG 56 8.046 -14.835 -6.065 63 HD3 ARG 56 HD3 ARG 56 9.674 -14.516 -5.469 64 HE ARG 56 HE ARG 56 7.192 -13.841 -4.184 65 HH11 ARG 56 HH11 ARG 56 10.578 -13.078 -4.457 66 HH12 ARG 56 HH12 ARG 56 10.676 -12.358 -2.883 67 HH21 ARG 56 HH21 ARG 56 7.308 -12.896 -2.112 68 HH22 ARG 56 HH22 ARG 56 8.816 -12.256 -1.551 69 H CYS 57 H CYS 57 7.778 -14.168 -9.950 70 HA CYS 57 HA CYS 57 5.793 -16.065 -10.051 71 HB2 CYS 57 HB2 CYS 57 7.907 -15.881 -11.478 72 HB3 CYS 57 HB3 CYS 57 8.718 -16.784 -10.203 73 H GLN 58 H GLN 58 4.929 -17.348 -8.572 74 HA GLN 58 HA GLN 58 6.173 -17.736 -6.016 75 HB2 GLN 58 HB2 GLN 58 3.667 -18.981 -7.161 76 HB3 GLN 58 HB3 GLN 58 4.160 -19.031 -5.474 77 HG2 GLN 58 HG2 GLN 58 3.733 -16.768 -5.153 78 HG3 GLN 58 HG3 GLN 58 3.751 -16.424 -6.881 79 HE21 GLN 58 HE21 GLN 58 1.722 -15.329 -6.347 80 HE22 GLN 58 HE22 GLN 58 0.263 -16.253 -6.326 81 H GLN 59 H GLN 59 6.812 -19.114 -8.881 82 HA GLN 59 HA GLN 59 7.437 -21.730 -7.681 83 HB2 GLN 59 HB2 GLN 59 6.772 -22.811 -9.553 84 HB3 GLN 59 HB3 GLN 59 5.815 -21.358 -9.808 85 HG2 GLN 59 HG2 GLN 59 6.787 -21.286 -11.807 86 HG3 GLN 59 HG3 GLN 59 8.199 -20.675 -10.945 87 HE21 GLN 59 HE21 GLN 59 10.015 -21.857 -10.915 88 HE22 GLN 59 HE22 GLN 59 10.179 -23.428 -11.612 89 H CYS 60 H CYS 60 8.642 -18.920 -9.228 90 HA CYS 60 HA CYS 60 11.277 -20.184 -9.587 91 HB2 CYS 60 HB2 CYS 60 9.891 -17.930 -10.981 92 HB3 CYS 60 HB3 CYS 60 11.650 -17.930 -10.905 93 H GLN 61 H GLN 61 9.503 -17.763 -7.883 94 HA GLN 61 HA GLN 61 10.046 -16.382 -6.158 95 HB2 GLN 61 HB2 GLN 61 12.696 -17.807 -6.004 96 HB3 GLN 61 HB3 GLN 61 11.830 -16.988 -4.711 97 HG2 GLN 61 HG2 GLN 61 10.102 -18.699 -4.765 98 HG3 GLN 61 HG3 GLN 61 10.939 -19.513 -6.085 99 HE21 GLN 61 HE21 GLN 61 11.885 -21.278 -5.383 100 HE22 GLN 61 HE22 GLN 61 12.735 -21.460 -3.891 101 H ALA 62 H ALA 62 10.591 -15.537 -8.805 102 HA ALA 62 HA ALA 62 12.638 -13.531 -8.235 103 HB1 ALA 62 HB1 ALA 62 13.791 -13.831 -10.301 104 HB2 ALA 62 HB2 ALA 62 13.712 -15.402 -9.500 105 HB3 ALA 62 HB3 ALA 62 12.625 -15.040 -10.841 106 H GLU 63 H GLU 63 12.680 -11.959 -10.274 107 HA GLU 63 HA GLU 63 10.148 -10.723 -10.348 108 HB2 GLU 63 HB2 GLU 63 12.681 -10.303 -11.922 109 HB3 GLU 63 HB3 GLU 63 11.237 -9.347 -12.221 110 HG2 GLU 63 HG2 GLU 63 12.196 -7.966 -10.731 111 HG3 GLU 63 HG3 GLU 63 11.416 -9.040 -9.570 112 H ALA 64 H ALA 64 8.472 -10.895 -11.708 113 HA ALA 64 HA ALA 64 8.746 -12.758 -13.969 114 HB1 ALA 64 HB1 ALA 64 7.121 -13.313 -12.138 115 HB2 ALA 64 HB2 ALA 64 6.181 -11.907 -12.642 116 HB3 ALA 64 HB3 ALA 64 6.430 -13.249 -13.759 117 H LYS 65 H LYS 65 9.096 -11.689 -15.808 118 HA LYS 65 HA LYS 65 8.363 -9.006 -16.286 119 HB2 LYS 65 HB2 LYS 65 9.369 -11.254 -17.986 120 HB3 LYS 65 HB3 LYS 65 8.772 -9.793 -18.762 121 HG2 LYS 65 HG2 LYS 65 10.421 -8.455 -17.699 122 HG3 LYS 65 HG3 LYS 65 10.904 -9.784 -16.642 123 HD2 LYS 65 HD2 LYS 65 11.132 -9.906 -19.643 124 HD3 LYS 65 HD3 LYS 65 12.430 -9.316 -18.603 125 HE2 LYS 65 HE2 LYS 65 11.157 -12.045 -18.424 126 HE3 LYS 65 HE3 LYS 65 12.698 -11.692 -19.207 127 HZ1 LYS 65 HZ1 LYS 65 13.252 -12.441 -17.083 128 HZ2 LYS 65 HZ2 LYS 65 12.028 -11.547 -16.330 129 HZ3 LYS 65 HZ3 LYS 65 13.384 -10.758 -16.965 130 H CYS 66 H CYS 66 7.139 -11.912 -17.960 131 HA CYS 66 HA CYS 66 4.542 -10.542 -18.211 132 HB2 CYS 66 HB2 CYS 66 6.168 -12.068 -20.165 133 HB3 CYS 66 HB3 CYS 66 4.431 -12.347 -20.210 134 HG CYS 66 HG CYS 66 3.691 -9.929 -21.036 135 HA PRO 67 HA PRO 67 3.992 -14.422 -15.695 136 HB2 PRO 67 HB2 PRO 67 2.506 -13.244 -13.752 137 HB3 PRO 67 HB3 PRO 67 4.272 -13.292 -13.715 138 HG2 PRO 67 HG2 PRO 67 2.457 -11.072 -14.572 139 HG3 PRO 67 HG3 PRO 67 3.928 -10.996 -13.584 140 HD2 PRO 67 HD2 PRO 67 3.907 -10.357 -16.215 141 HD3 PRO 67 HD3 PRO 67 5.317 -11.085 -15.421 142 H LYS 68 H LYS 68 2.026 -15.578 -15.293 143 HA LYS 68 HA LYS 68 -0.378 -14.448 -16.550 144 HB2 LYS 68 HB2 LYS 68 0.672 -17.247 -17.012 145 HB3 LYS 68 HB3 LYS 68 -0.826 -16.589 -17.656 146 HG2 LYS 68 HG2 LYS 68 0.994 -14.767 -18.538 147 HG3 LYS 68 HG3 LYS 68 1.925 -16.266 -18.587 148 HD2 LYS 68 HD2 LYS 68 0.905 -16.116 -20.699 149 HD3 LYS 68 HD3 LYS 68 -0.077 -17.276 -19.801 150 HE2 LYS 68 HE2 LYS 68 -1.679 -15.490 -19.277 151 HE3 LYS 68 HE3 LYS 68 -0.701 -14.351 -20.201 152 HZ1 LYS 68 HZ1 LYS 68 -1.408 -15.188 -22.157 153 HZ2 LYS 68 HZ2 LYS 68 -2.748 -15.661 -21.239 154 HZ3 LYS 68 HZ3 LYS 68 -1.523 -16.776 -21.585 155 H LEU 69 H LEU 69 -2.371 -15.388 -15.848 156 HA LEU 69 HA LEU 69 -2.186 -16.466 -13.130 157 HB2 LEU 69 HB2 LEU 69 -4.644 -15.433 -14.523 158 HB3 LEU 69 HB3 LEU 69 -4.413 -15.703 -12.796 159 HG LEU 69 HG LEU 69 -3.068 -13.564 -14.448 160 HD11 LEU 69 HD11 LEU 69 -4.823 -12.276 -14.031 161 HD12 LEU 69 HD12 LEU 69 -4.689 -12.600 -12.304 162 HD13 LEU 69 HD13 LEU 69 -5.650 -13.666 -13.328 163 HD21 LEU 69 HD21 LEU 69 -3.042 -13.864 -11.457 164 HD22 LEU 69 HD22 LEU 69 -2.066 -12.791 -12.460 165 HD23 LEU 69 HD23 LEU 69 -1.777 -14.530 -12.488 166 H LEU 70 H LEU 70 -1.814 -18.638 -13.538 167 HA LEU 70 HA LEU 70 -2.989 -20.286 -15.388 168 HB2 LEU 70 HB2 LEU 70 -1.975 -20.738 -12.618 169 HB3 LEU 70 HB3 LEU 70 -2.780 -22.055 -13.469 170 HG LEU 70 HG LEU 70 -0.338 -20.601 -14.483 171 HD11 LEU 70 HD11 LEU 70 0.849 -22.694 -13.893 172 HD12 LEU 70 HD12 LEU 70 -0.602 -23.242 -13.054 173 HD13 LEU 70 HD13 LEU 70 0.252 -21.806 -12.490 174 HD21 LEU 70 HD21 LEU 70 -1.704 -23.125 -15.412 175 HD22 LEU 70 HD22 LEU 70 -0.209 -22.457 -16.067 176 HD23 LEU 70 HD23 LEU 70 -1.723 -21.569 -16.243 177 HA PRO 71 HA PRO 71 -7.220 -20.872 -14.388 178 HB2 PRO 71 HB2 PRO 71 -7.566 -23.535 -14.780 179 HB3 PRO 71 HB3 PRO 71 -7.326 -22.393 -16.107 180 HG2 PRO 71 HG2 PRO 71 -5.345 -24.213 -14.793 181 HG3 PRO 71 HG3 PRO 71 -5.572 -23.864 -16.517 182 HD2 PRO 71 HD2 PRO 71 -3.615 -22.710 -15.041 183 HD3 PRO 71 HD3 PRO 71 -4.405 -21.879 -16.397 184 H CYS 72 H CYS 72 -4.802 -22.239 -12.476 185 HA CYS 72 HA CYS 72 -6.715 -23.322 -10.532 186 HB2 CYS 72 HB2 CYS 72 -3.721 -23.624 -10.792 187 HB3 CYS 72 HB3 CYS 72 -4.640 -24.225 -9.415 188 H LEU 73 H LEU 73 -5.761 -20.414 -11.168 189 HA LEU 73 HA LEU 73 -5.650 -18.483 -9.965 190 HB2 LEU 73 HB2 LEU 73 -5.852 -20.058 -7.424 191 HB3 LEU 73 HB3 LEU 73 -6.398 -18.415 -7.752 192 HG LEU 73 HG LEU 73 -7.683 -20.997 -8.618 193 HD11 LEU 73 HD11 LEU 73 -9.594 -19.449 -7.482 194 HD12 LEU 73 HD12 LEU 73 -8.173 -18.969 -6.554 195 HD13 LEU 73 HD13 LEU 73 -8.652 -20.665 -6.622 196 HD21 LEU 73 HD21 LEU 73 -8.164 -19.835 -10.502 197 HD22 LEU 73 HD22 LEU 73 -7.900 -18.268 -9.736 198 HD23 LEU 73 HD23 LEU 73 -9.411 -19.139 -9.466 199 H HIS 74 H HIS 74 -3.308 -19.988 -10.661 200 HA HIS 74 HA HIS 74 -1.495 -19.433 -8.418 201 HB2 HIS 74 HB2 HIS 74 -0.941 -20.971 -10.964 202 HB3 HIS 74 HB3 HIS 74 0.125 -20.839 -9.568 203 HD1 HIS 74 HD1 HIS 74 -2.687 -21.238 -7.751 204 HD2 HIS 74 HD2 HIS 74 -0.818 -23.808 -10.428 205 HE1 HIS 74 HE1 HIS 74 -3.469 -23.545 -7.127 206 H THR 75 H THR 75 0.665 -18.532 -9.016 207 HA THR 75 HA THR 75 0.422 -16.557 -11.190 208 HB THR 75 HB THR 75 1.935 -16.038 -8.635 209 HG1 THR 75 HG1 THR 75 -0.377 -16.368 -8.278 210 HG21 THR 75 HG21 THR 75 0.745 -13.829 -10.149 211 HG22 THR 75 HG22 THR 75 1.969 -14.736 -11.040 212 HG23 THR 75 HG23 THR 75 2.370 -14.003 -9.487 213 H LEU 76 H LEU 76 1.746 -17.299 -12.738 214 HA LEU 76 HA LEU 76 4.469 -18.101 -11.949 215 HB2 LEU 76 HB2 LEU 76 2.517 -19.339 -13.696 216 HB3 LEU 76 HB3 LEU 76 4.047 -19.050 -14.522 217 HG LEU 76 HG LEU 76 5.195 -20.309 -12.705 218 HD11 LEU 76 HD11 LEU 76 4.091 -20.663 -10.812 219 HD12 LEU 76 HD12 LEU 76 3.105 -21.841 -11.678 220 HD13 LEU 76 HD13 LEU 76 2.563 -20.169 -11.541 221 HD21 LEU 76 HD21 LEU 76 3.992 -21.236 -14.932 222 HD22 LEU 76 HD22 LEU 76 3.186 -22.218 -13.708 223 HD23 LEU 76 HD23 LEU 76 4.945 -22.240 -13.840 224 H CYS 77 H CYS 77 6.048 -17.831 -13.860 225 HA CYS 77 HA CYS 77 5.725 -15.093 -14.854 226 HB2 CYS 77 HB2 CYS 77 8.145 -15.107 -15.180 227 HB3 CYS 77 HB3 CYS 77 7.746 -15.586 -13.533 228 H SER 78 H SER 78 6.521 -14.597 -17.034 229 HA SER 78 HA SER 78 5.237 -16.005 -19.017 230 HB2 SER 78 HB2 SER 78 5.875 -14.164 -20.122 231 HB3 SER 78 HB3 SER 78 7.078 -13.801 -18.884 232 HG SER 78 HG SER 78 7.371 -15.315 -21.247 233 H GLY 79 H GLY 79 8.729 -16.129 -18.285 234 HA2 GLY 79 HA2 GLY 79 9.471 -18.058 -20.126 235 HA3 GLY 79 HA3 GLY 79 10.266 -17.809 -18.578 236 H CYS 80 H CYS 80 7.799 -18.465 -17.086 237 HA CYS 80 HA CYS 80 8.232 -21.287 -16.909 238 HB2 CYS 80 HB2 CYS 80 6.771 -19.233 -15.395 239 HB3 CYS 80 HB3 CYS 80 6.010 -20.821 -15.381 240 H LEU 81 H LEU 81 5.784 -19.211 -18.309 241 HA LEU 81 HA LEU 81 3.813 -21.194 -18.735 242 HB2 LEU 81 HB2 LEU 81 4.320 -18.435 -19.619 243 HB3 LEU 81 HB3 LEU 81 3.360 -19.411 -20.729 244 HG LEU 81 HG LEU 81 1.904 -18.134 -19.292 245 HD11 LEU 81 HD11 LEU 81 1.150 -20.432 -17.917 246 HD12 LEU 81 HD12 LEU 81 1.941 -21.018 -19.380 247 HD13 LEU 81 HD13 LEU 81 0.579 -19.903 -19.500 248 HD21 LEU 81 HD21 LEU 81 3.591 -19.311 -17.118 249 HD22 LEU 81 HD22 LEU 81 1.927 -18.821 -16.796 250 HD23 LEU 81 HD23 LEU 81 3.102 -17.635 -17.371 251 H GLU 82 H GLU 82 6.441 -19.946 -20.759 252 HA GLU 82 HA GLU 82 5.779 -21.659 -22.970 253 HB2 GLU 82 HB2 GLU 82 7.119 -19.341 -22.832 254 HB3 GLU 82 HB3 GLU 82 8.483 -20.448 -22.761 255 HG2 GLU 82 HG2 GLU 82 7.758 -21.484 -24.849 256 HG3 GLU 82 HG3 GLU 82 6.390 -20.375 -24.921 257 H ALA 83 H ALA 83 8.350 -21.571 -20.519 258 HA ALA 83 HA ALA 83 9.674 -23.907 -21.398 259 HB1 ALA 83 HB1 ALA 83 10.820 -23.845 -19.246 260 HB2 ALA 83 HB2 ALA 83 10.753 -22.241 -19.974 261 HB3 ALA 83 HB3 ALA 83 9.660 -22.656 -18.654 262 H SER 84 H SER 84 7.434 -23.390 -18.671 263 HA SER 84 HA SER 84 7.195 -26.242 -18.241 264 HB2 SER 84 HB2 SER 84 6.870 -23.975 -16.637 265 HB3 SER 84 HB3 SER 84 5.244 -24.632 -16.817 266 HG SER 84 HG SER 84 7.283 -25.551 -15.330 267 H GLY 85 H GLY 85 6.117 -24.587 -20.665 268 HA2 GLY 85 HA2 GLY 85 4.197 -24.506 -21.959 269 HA3 GLY 85 HA3 GLY 85 4.187 -26.226 -21.598 270 H MET 86 H MET 86 3.554 -23.405 -19.528 271 HA MET 86 HA MET 86 1.732 -22.792 -18.310 272 HB2 MET 86 HB2 MET 86 0.054 -24.676 -19.950 273 HB3 MET 86 HB3 MET 86 -0.432 -23.180 -19.165 274 HG2 MET 86 HG2 MET 86 0.826 -21.884 -20.760 275 HG3 MET 86 HG3 MET 86 1.453 -23.353 -21.503 276 HE1 MET 86 HE1 MET 86 0.575 -23.950 -23.761 277 HE2 MET 86 HE2 MET 86 -0.128 -25.161 -22.688 278 HE3 MET 86 HE3 MET 86 -1.112 -24.426 -23.955 279 H GLN 87 H GLN 87 3.371 -24.946 -17.444 280 HA GLN 87 HA GLN 87 1.888 -27.161 -16.529 281 HB2 GLN 87 HB2 GLN 87 4.527 -26.522 -16.573 282 HB3 GLN 87 HB3 GLN 87 4.168 -26.292 -14.867 283 HG2 GLN 87 HG2 GLN 87 4.635 -28.473 -14.725 284 HG3 GLN 87 HG3 GLN 87 2.982 -28.676 -15.302 285 HE21 GLN 87 HE21 GLN 87 2.619 -29.318 -17.412 286 HE22 GLN 87 HE22 GLN 87 3.870 -29.963 -18.414 287 H CYS 88 H CYS 88 2.380 -27.380 -13.832 288 HA CYS 88 HA CYS 88 1.060 -25.106 -12.554 289 HB2 CYS 88 HB2 CYS 88 -0.292 -27.512 -13.243 290 HB3 CYS 88 HB3 CYS 88 -0.109 -27.488 -11.493 291 HA PRO 89 HA PRO 89 4.526 -26.983 -10.077 292 HB2 PRO 89 HB2 PRO 89 5.790 -24.627 -9.608 293 HB3 PRO 89 HB3 PRO 89 6.090 -25.608 -11.047 294 HG2 PRO 89 HG2 PRO 89 4.352 -23.190 -10.730 295 HG3 PRO 89 HG3 PRO 89 5.468 -23.602 -12.045 296 HD2 PRO 89 HD2 PRO 89 2.791 -23.963 -12.239 297 HD3 PRO 89 HD3 PRO 89 3.959 -25.028 -13.048 298 H ILE 90 H ILE 90 2.813 -23.907 -9.550 299 HA ILE 90 HA ILE 90 3.118 -23.823 -6.761 300 HB ILE 90 HB ILE 90 0.767 -22.703 -8.280 301 HG12 ILE 90 HG12 ILE 90 2.754 -21.990 -9.446 302 HG13 ILE 90 HG13 ILE 90 2.157 -20.636 -8.493 303 HG21 ILE 90 HG21 ILE 90 1.376 -22.705 -5.579 304 HG22 ILE 90 HG22 ILE 90 1.894 -21.115 -6.134 305 HG23 ILE 90 HG23 ILE 90 0.232 -21.640 -6.396 306 HD11 ILE 90 HD11 ILE 90 4.451 -22.440 -7.767 307 HD12 ILE 90 HD12 ILE 90 4.565 -20.783 -8.360 308 HD13 ILE 90 HD13 ILE 90 3.843 -21.108 -6.785 309 H CYS 91 H CYS 91 0.944 -25.604 -8.796 310 HA CYS 91 HA CYS 91 -1.167 -26.137 -7.087 311 HB2 CYS 91 HB2 CYS 91 -0.183 -27.163 -9.547 312 HB3 CYS 91 HB3 CYS 91 -0.508 -28.539 -8.497 313 H GLN 92 H GLN 92 2.104 -27.195 -6.900 314 HA GLN 92 HA GLN 92 1.443 -29.277 -4.953 315 HB2 GLN 92 HB2 GLN 92 3.738 -28.708 -6.717 316 HB3 GLN 92 HB3 GLN 92 4.154 -29.331 -5.126 317 HG2 GLN 92 HG2 GLN 92 2.833 -31.295 -5.482 318 HG3 GLN 92 HG3 GLN 92 2.204 -30.650 -6.996 319 HE21 GLN 92 HE21 GLN 92 3.106 -31.466 -8.733 320 HE22 GLN 92 HE22 GLN 92 4.723 -32.062 -8.865 321 H ALA 93 H ALA 93 2.727 -26.078 -5.188 322 HA ALA 93 HA ALA 93 4.068 -26.023 -2.675 323 HB1 ALA 93 HB1 ALA 93 4.864 -24.210 -3.691 324 HB2 ALA 93 HB2 ALA 93 3.520 -24.172 -4.832 325 HB3 ALA 93 HB3 ALA 93 3.357 -23.406 -3.252 326 HA PRO 94 HA PRO 94 0.795 -25.393 0.179 327 HB2 PRO 94 HB2 PRO 94 1.902 -23.626 1.917 328 HB3 PRO 94 HB3 PRO 94 2.391 -25.323 1.831 329 HG2 PRO 94 HG2 PRO 94 3.703 -22.909 0.639 330 HG3 PRO 94 HG3 PRO 94 4.443 -24.290 1.471 331 HD2 PRO 94 HD2 PRO 94 4.407 -24.063 -1.227 332 HD3 PRO 94 HD3 PRO 94 4.341 -25.632 -0.400 333 H TRP 95 H TRP 95 1.860 -22.905 -1.836 334 HA TRP 95 HA TRP 95 0.583 -20.631 -0.912 335 HB2 TRP 95 HB2 TRP 95 2.047 -20.527 -2.826 336 HB3 TRP 95 HB3 TRP 95 0.990 -21.590 -3.750 337 HD1 TRP 95 HD1 TRP 95 -1.045 -20.501 -4.996 338 HE1 TRP 95 HE1 TRP 95 -1.801 -18.070 -5.369 339 HE3 TRP 95 HE3 TRP 95 2.007 -18.174 -1.618 340 HZ2 TRP 95 HZ2 TRP 95 -1.185 -15.504 -4.366 341 HZ3 TRP 95 HZ3 TRP 95 1.861 -15.729 -1.387 342 HH2 TRP 95 HH2 TRP 95 0.298 -14.423 -2.734 343 HA PRO 96 HA PRO 96 -3.635 -22.175 -1.022 344 HB2 PRO 96 HB2 PRO 96 -4.696 -20.033 0.265 345 HB3 PRO 96 HB3 PRO 96 -3.860 -21.342 1.108 346 HG2 PRO 96 HG2 PRO 96 -2.835 -18.647 0.303 347 HG3 PRO 96 HG3 PRO 96 -2.597 -19.526 1.826 348 HD2 PRO 96 HD2 PRO 96 -0.714 -19.445 -0.119 349 HD3 PRO 96 HD3 PRO 96 -0.926 -20.849 0.947 350 H LEU 97 H LEU 97 -5.202 -21.873 -2.501 351 HA LEU 97 HA LEU 97 -4.873 -20.079 -4.634 352 HB2 LEU 97 HB2 LEU 97 -7.298 -21.621 -3.728 353 HB3 LEU 97 HB3 LEU 97 -7.193 -20.747 -5.255 354 HG LEU 97 HG LEU 97 -5.071 -22.307 -5.575 355 HD11 LEU 97 HD11 LEU 97 -6.233 -24.593 -4.616 356 HD12 LEU 97 HD12 LEU 97 -6.493 -23.451 -3.299 357 HD13 LEU 97 HD13 LEU 97 -4.860 -23.758 -3.891 358 HD21 LEU 97 HD21 LEU 97 -6.420 -23.736 -6.919 359 HD22 LEU 97 HD22 LEU 97 -7.142 -22.127 -6.978 360 HD23 LEU 97 HD23 LEU 97 -7.859 -23.380 -5.962 361 H GLY 98 H GLY 98 -6.668 -18.539 -5.347 362 HA2 GLY 98 HA2 GLY 98 -8.401 -16.997 -4.649 363 HA3 GLY 98 HA3 GLY 98 -7.697 -17.017 -3.039 364 H ALA 99 H ALA 99 -4.963 -16.764 -3.948 365 HA ALA 99 HA ALA 99 -5.025 -13.913 -4.658 366 HB1 ALA 99 HB1 ALA 99 -3.944 -14.142 -2.599 367 HB2 ALA 99 HB2 ALA 99 -3.061 -15.577 -3.119 368 HB3 ALA 99 HB3 ALA 99 -2.629 -13.993 -3.765 369 H ASP 100 H ASP 100 -4.788 -13.639 -6.787 370 HA ASP 100 HA ASP 100 -2.370 -14.358 -8.081 371 HB2 ASP 100 HB2 ASP 100 -3.418 -15.788 -9.867 372 HB3 ASP 100 HB3 ASP 100 -3.304 -16.554 -8.285 373 H THR 101 H THR 101 -2.164 -12.311 -8.811 374 HA THR 101 HA THR 101 -4.142 -11.407 -10.785 375 HB THR 101 HB THR 101 -3.214 -9.042 -9.688 376 HG1 THR 101 HG1 THR 101 -4.118 -10.505 -7.469 377 HG21 THR 101 HG21 THR 101 -5.586 -10.019 -10.378 378 HG22 THR 101 HG22 THR 101 -5.432 -8.606 -9.333 379 HG23 THR 101 HG23 THR 101 -5.744 -10.193 -8.631 380 HA PRO 102 HA PRO 102 -0.715 -10.482 -13.368 381 HB2 PRO 102 HB2 PRO 102 -1.608 -8.295 -14.705 382 HB3 PRO 102 HB3 PRO 102 -2.235 -9.921 -14.997 383 HG2 PRO 102 HG2 PRO 102 -3.395 -7.714 -13.341 384 HG3 PRO 102 HG3 PRO 102 -4.210 -8.815 -14.466 385 HD2 PRO 102 HD2 PRO 102 -4.261 -9.174 -11.783 386 HD3 PRO 102 HD3 PRO 102 -4.290 -10.530 -12.928 387 H ALA 103 H ALA 103 0.583 -8.442 -14.182 388 HA ALA 103 HA ALA 103 1.442 -7.040 -11.767 389 HB1 ALA 103 HB1 ALA 103 3.504 -7.199 -12.585 390 HB2 ALA 103 HB2 ALA 103 2.833 -8.233 -13.847 391 HB3 ALA 103 HB3 ALA 103 3.021 -6.502 -14.131 392 H LEU 104 H LEU 104 0.365 -5.202 -11.401 393 HA LEU 104 HA LEU 104 0.655 -2.959 -13.051 394 HB2 LEU 104 HB2 LEU 104 -1.473 -2.639 -13.998 395 HB3 LEU 104 HB3 LEU 104 -1.010 -4.293 -14.395 396 HG LEU 104 HG LEU 104 -3.253 -4.482 -13.840 397 HD11 LEU 104 HD11 LEU 104 -1.743 -6.019 -12.553 398 HD12 LEU 104 HD12 LEU 104 -3.340 -5.769 -11.848 399 HD13 LEU 104 HD13 LEU 104 -1.939 -4.940 -11.172 400 HD21 LEU 104 HD21 LEU 104 -4.436 -3.168 -12.403 401 HD22 LEU 104 HD22 LEU 104 -3.111 -2.064 -12.772 402 HD23 LEU 104 HD23 LEU 104 -3.091 -2.997 -11.275 Start of MODEL 14 1 H1 GLU 49 H GLU 49 2.838 2.519 0.519 2 HA GLU 49 HA GLU 49 3.263 2.578 -2.343 3 HB2 GLU 49 HB2 GLU 49 4.214 4.351 -0.093 4 HB3 GLU 49 HB3 GLU 49 4.674 4.598 -1.772 5 HG2 GLU 49 HG2 GLU 49 2.238 4.760 -2.322 6 HG3 GLU 49 HG3 GLU 49 1.917 4.751 -0.589 7 H GLU 50 H GLU 50 4.874 1.593 -3.355 8 HA GLU 50 HA GLU 50 7.323 0.975 -1.840 9 HB2 GLU 50 HB2 GLU 50 5.495 -0.833 -3.128 10 HB3 GLU 50 HB3 GLU 50 7.066 -0.923 -3.912 11 HG2 GLU 50 HG2 GLU 50 6.461 -1.357 -0.999 12 HG3 GLU 50 HG3 GLU 50 6.972 -2.564 -2.179 13 H GLU 51 H GLU 51 9.045 0.161 -3.612 14 HA GLU 51 HA GLU 51 9.748 2.465 -5.073 15 HB2 GLU 51 HB2 GLU 51 11.639 1.239 -5.833 16 HB3 GLU 51 HB3 GLU 51 11.321 0.701 -4.190 17 HG2 GLU 51 HG2 GLU 51 10.061 -1.237 -5.200 18 HG3 GLU 51 HG3 GLU 51 10.734 -0.746 -6.753 19 H PHE 52 H PHE 52 8.047 -0.467 -5.946 20 HA PHE 52 HA PHE 52 6.894 0.697 -8.245 21 HB2 PHE 52 HB2 PHE 52 9.420 -0.018 -8.822 22 HB3 PHE 52 HB3 PHE 52 8.617 -1.555 -9.123 23 HD1 PHE 52 HD2 PHE 52 8.266 2.068 -9.928 24 HD2 PHE 52 HD1 PHE 52 7.754 -1.957 -11.214 25 HE1 PHE 52 HE2 PHE 52 7.576 2.870 -12.149 26 HE2 PHE 52 HE1 PHE 52 7.064 -1.162 -13.438 27 HZ PHE 52 HZ PHE 52 6.972 1.254 -13.907 28 H GLN 53 H GLN 53 5.289 -0.614 -9.178 29 HA GLN 53 HA GLN 53 4.544 -2.898 -7.510 30 HB2 GLN 53 HB2 GLN 53 2.843 -1.196 -7.736 31 HB3 GLN 53 HB3 GLN 53 2.959 -1.256 -9.489 32 HG2 GLN 53 HG2 GLN 53 1.857 -3.283 -9.627 33 HG3 GLN 53 HG3 GLN 53 2.211 -3.703 -7.951 34 HE21 GLN 53 HE21 GLN 53 0.038 -4.163 -7.558 35 HE22 GLN 53 HE22 GLN 53 -1.139 -2.912 -7.375 36 H PHE 54 H PHE 54 5.264 -4.797 -8.213 37 HA PHE 54 HA PHE 54 4.780 -5.526 -11.002 38 HB2 PHE 54 HB2 PHE 54 7.092 -6.706 -10.917 39 HB3 PHE 54 HB3 PHE 54 7.033 -4.977 -11.245 40 HD1 PHE 54 HD2 PHE 54 7.583 -3.366 -9.434 41 HD2 PHE 54 HD1 PHE 54 8.166 -7.559 -8.999 42 HE1 PHE 54 HE2 PHE 54 9.096 -2.955 -7.537 43 HE2 PHE 54 HE1 PHE 54 9.679 -7.156 -7.101 44 HZ PHE 54 HZ PHE 54 10.147 -4.851 -6.369 45 H LEU 55 H LEU 55 5.247 -7.949 -11.306 46 HA LEU 55 HA LEU 55 4.049 -9.352 -9.026 47 HB2 LEU 55 HB2 LEU 55 4.226 -9.995 -11.958 48 HB3 LEU 55 HB3 LEU 55 3.681 -11.167 -10.761 49 HG LEU 55 HG LEU 55 2.346 -8.555 -11.467 50 HD11 LEU 55 HD11 LEU 55 0.479 -10.308 -11.964 51 HD12 LEU 55 HD12 LEU 55 1.837 -11.422 -12.119 52 HD13 LEU 55 HD13 LEU 55 1.743 -9.997 -13.153 53 HD21 LEU 55 HD21 LEU 55 2.081 -8.926 -9.111 54 HD22 LEU 55 HD22 LEU 55 1.660 -10.618 -9.377 55 HD23 LEU 55 HD23 LEU 55 0.568 -9.341 -9.917 56 H ARG 56 H ARG 56 4.776 -11.592 -8.618 57 HA ARG 56 HA ARG 56 7.565 -12.104 -9.343 58 HB2 ARG 56 HB2 ARG 56 7.468 -10.905 -7.131 59 HB3 ARG 56 HB3 ARG 56 6.581 -12.283 -6.494 60 HG2 ARG 56 HG2 ARG 56 9.012 -13.115 -7.811 61 HG3 ARG 56 HG3 ARG 56 9.331 -11.940 -6.535 62 HD2 ARG 56 HD2 ARG 56 7.776 -14.510 -6.258 63 HD3 ARG 56 HD3 ARG 56 9.403 -14.201 -5.650 64 HE ARG 56 HE ARG 56 6.927 -13.401 -4.448 65 HH11 ARG 56 HH11 ARG 56 10.309 -12.640 -4.763 66 HH12 ARG 56 HH12 ARG 56 10.393 -11.792 -3.255 67 HH21 ARG 56 HH21 ARG 56 7.024 -12.286 -2.460 68 HH22 ARG 56 HH22 ARG 56 8.523 -11.592 -1.945 69 H CYS 57 H CYS 57 7.611 -14.058 -10.217 70 HA CYS 57 HA CYS 57 5.606 -15.936 -10.225 71 HB2 CYS 57 HB2 CYS 57 7.725 -15.857 -11.649 72 HB3 CYS 57 HB3 CYS 57 8.524 -16.691 -10.321 73 H GLN 58 H GLN 58 4.718 -17.120 -8.679 74 HA GLN 58 HA GLN 58 5.940 -17.381 -6.099 75 HB2 GLN 58 HB2 GLN 58 3.370 -18.369 -7.308 76 HB3 GLN 58 HB3 GLN 58 3.881 -18.884 -5.706 77 HG2 GLN 58 HG2 GLN 58 3.750 -15.977 -6.372 78 HG3 GLN 58 HG3 GLN 58 2.281 -16.865 -5.966 79 HE21 GLN 58 HE21 GLN 58 5.489 -16.002 -4.803 80 HE22 GLN 58 HE22 GLN 58 5.108 -16.105 -3.121 81 H GLN 59 H GLN 59 6.521 -18.950 -8.902 82 HA GLN 59 HA GLN 59 7.119 -21.500 -7.553 83 HB2 GLN 59 HB2 GLN 59 6.468 -22.650 -9.384 84 HB3 GLN 59 HB3 GLN 59 5.568 -21.185 -9.752 85 HG2 GLN 59 HG2 GLN 59 6.609 -21.292 -11.721 86 HG3 GLN 59 HG3 GLN 59 7.981 -20.611 -10.849 87 HE21 GLN 59 HE21 GLN 59 9.800 -21.771 -10.670 88 HE22 GLN 59 HE22 GLN 59 9.998 -23.391 -11.237 89 H CYS 60 H CYS 60 8.401 -18.797 -9.245 90 HA CYS 60 HA CYS 60 11.025 -20.110 -9.460 91 HB2 CYS 60 HB2 CYS 60 9.724 -17.877 -10.973 92 HB3 CYS 60 HB3 CYS 60 11.481 -17.940 -10.872 93 H GLN 61 H GLN 61 9.255 -17.577 -7.915 94 HA GLN 61 HA GLN 61 9.780 -16.129 -6.242 95 HB2 GLN 61 HB2 GLN 61 12.393 -17.598 -5.940 96 HB3 GLN 61 HB3 GLN 61 11.502 -16.708 -4.713 97 HG2 GLN 61 HG2 GLN 61 9.747 -18.388 -4.744 98 HG3 GLN 61 HG3 GLN 61 10.602 -19.271 -6.007 99 HE21 GLN 61 HE21 GLN 61 11.742 -20.923 -5.324 100 HE22 GLN 61 HE22 GLN 61 12.452 -21.100 -3.758 101 H ALA 62 H ALA 62 10.433 -15.434 -8.915 102 HA ALA 62 HA ALA 62 12.515 -13.452 -8.376 103 HB1 ALA 62 HB1 ALA 62 13.731 -13.882 -10.361 104 HB2 ALA 62 HB2 ALA 62 13.520 -15.440 -9.560 105 HB3 ALA 62 HB3 ALA 62 12.514 -15.017 -10.945 106 H GLU 63 H GLU 63 12.640 -11.946 -10.445 107 HA GLU 63 HA GLU 63 10.142 -10.657 -10.631 108 HB2 GLU 63 HB2 GLU 63 12.740 -10.349 -12.113 109 HB3 GLU 63 HB3 GLU 63 11.329 -9.395 -12.546 110 HG2 GLU 63 HG2 GLU 63 12.340 -7.965 -11.099 111 HG3 GLU 63 HG3 GLU 63 11.313 -8.854 -9.974 112 H ALA 64 H ALA 64 8.495 -10.846 -12.020 113 HA ALA 64 HA ALA 64 8.786 -12.778 -14.221 114 HB1 ALA 64 HB1 ALA 64 7.130 -13.525 -12.704 115 HB2 ALA 64 HB2 ALA 64 6.381 -11.930 -12.626 116 HB3 ALA 64 HB3 ALA 64 6.270 -12.884 -14.104 117 H LYS 65 H LYS 65 9.151 -11.797 -16.100 118 HA LYS 65 HA LYS 65 8.540 -9.111 -16.679 119 HB2 LYS 65 HB2 LYS 65 9.439 -11.472 -18.262 120 HB3 LYS 65 HB3 LYS 65 8.823 -10.077 -19.139 121 HG2 LYS 65 HG2 LYS 65 10.538 -8.697 -18.403 122 HG3 LYS 65 HG3 LYS 65 10.944 -9.759 -17.052 123 HD2 LYS 65 HD2 LYS 65 11.291 -10.547 -19.939 124 HD3 LYS 65 HD3 LYS 65 12.564 -9.783 -18.984 125 HE2 LYS 65 HE2 LYS 65 11.202 -12.409 -18.392 126 HE3 LYS 65 HE3 LYS 65 12.847 -12.192 -18.989 127 HZ1 LYS 65 HZ1 LYS 65 13.384 -12.284 -16.836 128 HZ2 LYS 65 HZ2 LYS 65 11.814 -11.940 -16.307 129 HZ3 LYS 65 HZ3 LYS 65 12.848 -10.681 -16.767 130 H CYS 66 H CYS 66 7.114 -12.011 -18.196 131 HA CYS 66 HA CYS 66 4.583 -10.519 -18.419 132 HB2 CYS 66 HB2 CYS 66 6.027 -11.162 -20.557 133 HB3 CYS 66 HB3 CYS 66 5.213 -12.707 -20.345 134 HG CYS 66 HG CYS 66 2.818 -10.628 -20.102 135 HA PRO 67 HA PRO 67 3.917 -14.360 -15.886 136 HB2 PRO 67 HB2 PRO 67 2.465 -13.121 -13.955 137 HB3 PRO 67 HB3 PRO 67 4.230 -13.214 -13.918 138 HG2 PRO 67 HG2 PRO 67 2.472 -10.957 -14.799 139 HG3 PRO 67 HG3 PRO 67 3.945 -10.909 -13.813 140 HD2 PRO 67 HD2 PRO 67 3.937 -10.300 -16.452 141 HD3 PRO 67 HD3 PRO 67 5.330 -11.055 -15.651 142 H LYS 68 H LYS 68 2.005 -15.546 -15.672 143 HA LYS 68 HA LYS 68 -0.441 -14.325 -16.748 144 HB2 LYS 68 HB2 LYS 68 0.521 -17.083 -17.516 145 HB3 LYS 68 HB3 LYS 68 -0.884 -16.234 -18.147 146 HG2 LYS 68 HG2 LYS 68 1.973 -15.361 -18.528 147 HG3 LYS 68 HG3 LYS 68 1.012 -16.252 -19.712 148 HD2 LYS 68 HD2 LYS 68 -0.395 -14.446 -20.113 149 HD3 LYS 68 HD3 LYS 68 0.014 -13.662 -18.586 150 HE2 LYS 68 HE2 LYS 68 0.982 -12.564 -20.610 151 HE3 LYS 68 HE3 LYS 68 2.169 -13.041 -19.398 152 HZ1 LYS 68 HZ1 LYS 68 1.708 -15.105 -21.314 153 HZ2 LYS 68 HZ2 LYS 68 3.163 -14.385 -20.840 154 HZ3 LYS 68 HZ3 LYS 68 2.225 -13.675 -22.056 155 H LEU 69 H LEU 69 -2.406 -15.430 -16.150 156 HA LEU 69 HA LEU 69 -2.200 -16.604 -13.495 157 HB2 LEU 69 HB2 LEU 69 -4.651 -15.846 -15.077 158 HB3 LEU 69 HB3 LEU 69 -4.600 -16.281 -13.370 159 HG LEU 69 HG LEU 69 -3.482 -13.791 -14.650 160 HD11 LEU 69 HD11 LEU 69 -5.557 -13.066 -14.284 161 HD12 LEU 69 HD12 LEU 69 -5.151 -13.110 -12.569 162 HD13 LEU 69 HD13 LEU 69 -5.971 -14.480 -13.317 163 HD21 LEU 69 HD21 LEU 69 -3.076 -14.988 -11.943 164 HD22 LEU 69 HD22 LEU 69 -3.119 -13.234 -12.132 165 HD23 LEU 69 HD23 LEU 69 -1.916 -14.187 -13.002 166 H LEU 70 H LEU 70 -1.885 -18.730 -13.406 167 HA LEU 70 HA LEU 70 -2.290 -20.600 -15.383 168 HB2 LEU 70 HB2 LEU 70 -1.893 -20.650 -12.485 169 HB3 LEU 70 HB3 LEU 70 -2.744 -22.060 -13.113 170 HG LEU 70 HG LEU 70 -0.908 -22.740 -14.395 171 HD11 LEU 70 HD11 LEU 70 -0.203 -20.861 -15.555 172 HD12 LEU 70 HD12 LEU 70 1.162 -21.202 -14.493 173 HD13 LEU 70 HD13 LEU 70 0.027 -19.915 -14.085 174 HD21 LEU 70 HD21 LEU 70 0.350 -21.534 -11.938 175 HD22 LEU 70 HD22 LEU 70 0.875 -22.966 -12.824 176 HD23 LEU 70 HD23 LEU 70 -0.642 -22.993 -11.923 177 HA PRO 71 HA PRO 71 -6.566 -21.536 -15.673 178 HB2 PRO 71 HB2 PRO 71 -6.601 -24.248 -15.802 179 HB3 PRO 71 HB3 PRO 71 -6.019 -23.231 -17.125 180 HG2 PRO 71 HG2 PRO 71 -4.457 -24.696 -15.032 181 HG3 PRO 71 HG3 PRO 71 -4.138 -24.553 -16.770 182 HD2 PRO 71 HD2 PRO 71 -2.836 -23.061 -14.924 183 HD3 PRO 71 HD3 PRO 71 -3.197 -22.460 -16.554 184 H CYS 72 H CYS 72 -4.794 -22.537 -12.957 185 HA CYS 72 HA CYS 72 -7.147 -23.603 -11.581 186 HB2 CYS 72 HB2 CYS 72 -4.214 -23.781 -11.182 187 HB3 CYS 72 HB3 CYS 72 -5.200 -23.762 -9.724 188 H LEU 73 H LEU 73 -4.502 -21.707 -10.204 189 HA LEU 73 HA LEU 73 -5.860 -19.288 -9.862 190 HB2 LEU 73 HB2 LEU 73 -6.096 -19.677 -7.259 191 HB3 LEU 73 HB3 LEU 73 -7.406 -20.040 -8.383 192 HG LEU 73 HG LEU 73 -6.652 -22.428 -8.355 193 HD11 LEU 73 HD11 LEU 73 -5.146 -21.825 -5.856 194 HD12 LEU 73 HD12 LEU 73 -4.339 -21.650 -7.412 195 HD13 LEU 73 HD13 LEU 73 -5.020 -23.208 -6.944 196 HD21 LEU 73 HD21 LEU 73 -7.213 -22.132 -5.562 197 HD22 LEU 73 HD22 LEU 73 -8.268 -22.698 -6.858 198 HD23 LEU 73 HD23 LEU 73 -8.171 -20.976 -6.488 199 H HIS 74 H HIS 74 -3.235 -20.311 -10.426 200 HA HIS 74 HA HIS 74 -1.727 -19.084 -8.210 201 HB2 HIS 74 HB2 HIS 74 -0.332 -20.942 -10.064 202 HB3 HIS 74 HB3 HIS 74 -0.087 -20.675 -8.340 203 HD1 HIS 74 HD1 HIS 74 -1.282 -22.226 -6.739 204 HD2 HIS 74 HD2 HIS 74 -2.462 -22.745 -10.688 205 HE1 HIS 74 HE1 HIS 74 -2.683 -24.314 -6.753 206 H THR 75 H THR 75 0.376 -18.121 -8.913 207 HA THR 75 HA THR 75 0.060 -16.822 -11.540 208 HB THR 75 HB THR 75 1.500 -15.697 -9.132 209 HG1 THR 75 HG1 THR 75 -0.997 -14.828 -10.170 210 HG21 THR 75 HG21 THR 75 1.311 -14.925 -11.925 211 HG22 THR 75 HG22 THR 75 2.378 -14.319 -10.658 212 HG23 THR 75 HG23 THR 75 0.758 -13.648 -10.844 213 H LEU 76 H LEU 76 1.660 -17.012 -12.985 214 HA LEU 76 HA LEU 76 4.278 -17.983 -12.060 215 HB2 LEU 76 HB2 LEU 76 2.406 -19.229 -13.906 216 HB3 LEU 76 HB3 LEU 76 4.005 -19.002 -14.611 217 HG LEU 76 HG LEU 76 4.978 -20.255 -12.712 218 HD11 LEU 76 HD11 LEU 76 3.798 -20.591 -10.869 219 HD12 LEU 76 HD12 LEU 76 2.682 -21.609 -11.778 220 HD13 LEU 76 HD13 LEU 76 2.373 -19.880 -11.626 221 HD21 LEU 76 HD21 LEU 76 3.746 -21.218 -14.950 222 HD22 LEU 76 HD22 LEU 76 2.980 -22.165 -13.674 223 HD23 LEU 76 HD23 LEU 76 4.736 -22.172 -13.845 224 H CYS 77 H CYS 77 5.935 -17.775 -13.924 225 HA CYS 77 HA CYS 77 5.702 -15.043 -14.951 226 HB2 CYS 77 HB2 CYS 77 8.139 -15.168 -15.269 227 HB3 CYS 77 HB3 CYS 77 7.685 -15.540 -13.609 228 H SER 78 H SER 78 6.882 -14.687 -17.104 229 HA SER 78 HA SER 78 5.480 -15.977 -19.136 230 HB2 SER 78 HB2 SER 78 6.964 -14.833 -20.687 231 HB3 SER 78 HB3 SER 78 6.566 -13.750 -19.354 232 HG SER 78 HG SER 78 8.987 -14.849 -20.077 233 H GLY 79 H GLY 79 8.935 -16.343 -18.303 234 HA2 GLY 79 HA2 GLY 79 9.574 -18.363 -20.080 235 HA3 GLY 79 HA3 GLY 79 10.349 -18.140 -18.518 236 H CYS 80 H CYS 80 7.800 -18.579 -17.080 237 HA CYS 80 HA CYS 80 8.023 -21.418 -16.823 238 HB2 CYS 80 HB2 CYS 80 6.636 -19.229 -15.419 239 HB3 CYS 80 HB3 CYS 80 5.803 -20.780 -15.374 240 H LEU 81 H LEU 81 5.745 -19.211 -18.322 241 HA LEU 81 HA LEU 81 3.684 -21.095 -18.788 242 HB2 LEU 81 HB2 LEU 81 4.336 -18.361 -19.635 243 HB3 LEU 81 HB3 LEU 81 3.377 -19.282 -20.792 244 HG LEU 81 HG LEU 81 1.960 -17.923 -19.352 245 HD11 LEU 81 HD11 LEU 81 0.629 -19.646 -19.897 246 HD12 LEU 81 HD12 LEU 81 0.817 -20.088 -18.201 247 HD13 LEU 81 HD13 LEU 81 1.824 -20.856 -19.429 248 HD21 LEU 81 HD21 LEU 81 3.106 -17.643 -17.353 249 HD22 LEU 81 HD22 LEU 81 3.428 -19.368 -17.177 250 HD23 LEU 81 HD23 LEU 81 1.800 -18.742 -16.910 251 H GLU 82 H GLU 82 6.431 -19.992 -20.730 252 HA GLU 82 HA GLU 82 5.734 -21.642 -22.976 253 HB2 GLU 82 HB2 GLU 82 7.142 -19.420 -22.873 254 HB3 GLU 82 HB3 GLU 82 8.480 -20.524 -22.583 255 HG2 GLU 82 HG2 GLU 82 8.294 -21.506 -24.676 256 HG3 GLU 82 HG3 GLU 82 6.640 -20.940 -24.901 257 H ALA 83 H ALA 83 8.329 -21.706 -20.537 258 HA ALA 83 HA ALA 83 9.474 -24.136 -21.375 259 HB1 ALA 83 HB1 ALA 83 9.517 -22.953 -18.601 260 HB2 ALA 83 HB2 ALA 83 10.650 -24.128 -19.269 261 HB3 ALA 83 HB3 ALA 83 10.598 -22.488 -19.915 262 H SER 84 H SER 84 7.245 -23.464 -18.672 263 HA SER 84 HA SER 84 6.804 -26.299 -18.258 264 HB2 SER 84 HB2 SER 84 5.092 -24.323 -16.860 265 HB3 SER 84 HB3 SER 84 5.946 -25.728 -16.224 266 HG SER 84 HG SER 84 7.136 -24.133 -15.436 267 H GLY 85 H GLY 85 5.846 -24.542 -20.660 268 HA2 GLY 85 HA2 GLY 85 3.915 -24.274 -21.919 269 HA3 GLY 85 HA3 GLY 85 3.809 -26.004 -21.625 270 H MET 86 H MET 86 3.310 -23.160 -19.534 271 HA MET 86 HA MET 86 1.549 -22.514 -18.250 272 HB2 MET 86 HB2 MET 86 -0.307 -24.234 -19.854 273 HB3 MET 86 HB3 MET 86 -0.594 -22.650 -19.147 274 HG2 MET 86 HG2 MET 86 1.376 -22.081 -20.918 275 HG3 MET 86 HG3 MET 86 0.530 -23.384 -21.750 276 HE1 MET 86 HE1 MET 86 -1.343 -23.312 -22.910 277 HE2 MET 86 HE2 MET 86 -2.465 -21.977 -23.172 278 HE3 MET 86 HE3 MET 86 -0.840 -21.909 -23.854 279 H GLN 87 H GLN 87 3.060 -24.771 -17.447 280 HA GLN 87 HA GLN 87 1.456 -26.933 -16.608 281 HB2 GLN 87 HB2 GLN 87 4.136 -26.404 -16.615 282 HB3 GLN 87 HB3 GLN 87 3.762 -26.284 -14.901 283 HG2 GLN 87 HG2 GLN 87 4.207 -28.493 -14.987 284 HG3 GLN 87 HG3 GLN 87 2.499 -28.563 -15.420 285 HE21 GLN 87 HE21 GLN 87 1.974 -29.567 -17.232 286 HE22 GLN 87 HE22 GLN 87 3.065 -30.000 -18.500 287 H CYS 88 H CYS 88 2.019 -27.221 -13.894 288 HA CYS 88 HA CYS 88 0.832 -24.933 -12.536 289 HB2 CYS 88 HB2 CYS 88 -0.892 -26.786 -13.434 290 HB3 CYS 88 HB3 CYS 88 -0.441 -27.541 -11.909 291 HA PRO 89 HA PRO 89 4.121 -27.196 -10.142 292 HB2 PRO 89 HB2 PRO 89 5.569 -24.974 -9.565 293 HB3 PRO 89 HB3 PRO 89 5.795 -25.909 -11.047 294 HG2 PRO 89 HG2 PRO 89 4.257 -23.376 -10.622 295 HG3 PRO 89 HG3 PRO 89 5.342 -23.816 -11.954 296 HD2 PRO 89 HD2 PRO 89 2.647 -23.950 -12.165 297 HD3 PRO 89 HD3 PRO 89 3.728 -25.068 -13.021 298 H ILE 90 H ILE 90 2.699 -23.999 -9.466 299 HA ILE 90 HA ILE 90 2.990 -24.048 -6.688 300 HB ILE 90 HB ILE 90 0.704 -22.738 -8.155 301 HG12 ILE 90 HG12 ILE 90 2.740 -22.102 -9.292 302 HG13 ILE 90 HG13 ILE 90 2.209 -20.750 -8.297 303 HG21 ILE 90 HG21 ILE 90 0.819 -21.112 -6.327 304 HG22 ILE 90 HG22 ILE 90 0.509 -22.741 -5.730 305 HG23 ILE 90 HG23 ILE 90 2.121 -22.042 -5.586 306 HD11 ILE 90 HD11 ILE 90 4.558 -20.931 -8.069 307 HD12 ILE 90 HD12 ILE 90 3.843 -21.508 -6.563 308 HD13 ILE 90 HD13 ILE 90 4.458 -22.662 -7.747 309 H CYS 91 H CYS 91 0.841 -25.773 -8.734 310 HA CYS 91 HA CYS 91 -1.349 -26.196 -7.064 311 HB2 CYS 91 HB2 CYS 91 -0.544 -27.096 -9.556 312 HB3 CYS 91 HB3 CYS 91 -0.590 -28.567 -8.589 313 H GLN 92 H GLN 92 1.874 -27.310 -6.787 314 HA GLN 92 HA GLN 92 1.259 -29.602 -5.148 315 HB2 GLN 92 HB2 GLN 92 3.924 -28.231 -5.524 316 HB3 GLN 92 HB3 GLN 92 3.648 -29.859 -4.917 317 HG2 GLN 92 HG2 GLN 92 2.975 -28.928 -7.698 318 HG3 GLN 92 HG3 GLN 92 4.440 -29.799 -7.250 319 HE21 GLN 92 HE21 GLN 92 3.817 -31.815 -5.808 320 HE22 GLN 92 HE22 GLN 92 2.620 -32.837 -6.520 321 H ALA 93 H ALA 93 2.317 -26.277 -4.660 322 HA ALA 93 HA ALA 93 2.287 -26.686 -1.754 323 HB1 ALA 93 HB1 ALA 93 3.047 -24.028 -2.592 324 HB2 ALA 93 HB2 ALA 93 3.948 -25.213 -1.646 325 HB3 ALA 93 HB3 ALA 93 4.010 -25.261 -3.407 326 HA PRO 94 HA PRO 94 -1.825 -24.861 -2.010 327 HB2 PRO 94 HB2 PRO 94 -2.484 -25.440 0.559 328 HB3 PRO 94 HB3 PRO 94 -2.561 -26.631 -0.743 329 HG2 PRO 94 HG2 PRO 94 -0.429 -26.214 1.317 330 HG3 PRO 94 HG3 PRO 94 -1.134 -27.731 0.726 331 HD2 PRO 94 HD2 PRO 94 1.260 -26.802 -0.135 332 HD3 PRO 94 HD3 PRO 94 0.170 -27.742 -1.174 333 H TRP 95 H TRP 95 -0.204 -22.884 -2.089 334 HA TRP 95 HA TRP 95 0.271 -21.468 0.325 335 HB2 TRP 95 HB2 TRP 95 1.149 -19.763 -1.011 336 HB3 TRP 95 HB3 TRP 95 1.419 -21.208 -1.982 337 HD1 TRP 95 HD1 TRP 95 -0.787 -21.649 -3.812 338 HE1 TRP 95 HE1 TRP 95 -1.817 -19.885 -5.377 339 HE3 TRP 95 HE3 TRP 95 0.762 -17.419 -1.394 340 HZ2 TRP 95 HZ2 TRP 95 -1.953 -17.071 -5.562 341 HZ3 TRP 95 HZ3 TRP 95 0.140 -15.231 -2.330 342 HH2 TRP 95 HH2 TRP 95 -1.189 -15.063 -4.372 343 HA PRO 96 HA PRO 96 -3.552 -19.458 1.100 344 HB2 PRO 96 HB2 PRO 96 -2.722 -17.047 2.033 345 HB3 PRO 96 HB3 PRO 96 -2.566 -18.543 2.963 346 HG2 PRO 96 HG2 PRO 96 -0.511 -17.104 1.328 347 HG3 PRO 96 HG3 PRO 96 -0.345 -17.852 2.927 348 HD2 PRO 96 HD2 PRO 96 0.503 -19.062 0.657 349 HD3 PRO 96 HD3 PRO 96 -0.116 -19.973 2.050 350 H LEU 97 H LEU 97 -4.851 -18.855 -0.517 351 HA LEU 97 HA LEU 97 -3.964 -17.079 -2.604 352 HB2 LEU 97 HB2 LEU 97 -6.677 -18.278 -2.063 353 HB3 LEU 97 HB3 LEU 97 -6.219 -17.406 -3.524 354 HG LEU 97 HG LEU 97 -4.355 -19.327 -3.574 355 HD11 LEU 97 HD11 LEU 97 -6.214 -20.191 -1.574 356 HD12 LEU 97 HD12 LEU 97 -4.734 -20.968 -2.135 357 HD13 LEU 97 HD13 LEU 97 -6.262 -21.288 -2.953 358 HD21 LEU 97 HD21 LEU 97 -6.916 -20.314 -4.583 359 HD22 LEU 97 HD22 LEU 97 -5.423 -19.938 -5.443 360 HD23 LEU 97 HD23 LEU 97 -6.557 -18.649 -5.042 361 H GLY 98 H GLY 98 -5.825 -15.406 -3.289 362 HA2 GLY 98 HA2 GLY 98 -7.436 -14.036 -1.609 363 HA3 GLY 98 HA3 GLY 98 -5.840 -13.463 -1.146 364 H ALA 99 H ALA 99 -4.580 -12.306 -2.687 365 HA ALA 99 HA ALA 99 -6.244 -10.964 -4.703 366 HB1 ALA 99 HB1 ALA 99 -5.333 -9.444 -3.094 367 HB2 ALA 99 HB2 ALA 99 -3.708 -10.089 -3.331 368 HB3 ALA 99 HB3 ALA 99 -4.498 -9.191 -4.627 369 H ASP 100 H ASP 100 -6.062 -12.144 -6.539 370 HA ASP 100 HA ASP 100 -3.338 -12.673 -7.535 371 HB2 ASP 100 HB2 ASP 100 -5.907 -14.175 -8.080 372 HB3 ASP 100 HB3 ASP 100 -4.383 -14.482 -8.908 373 H THR 101 H THR 101 -2.871 -11.011 -8.848 374 HA THR 101 HA THR 101 -4.620 -10.575 -11.150 375 HB THR 101 HB THR 101 -3.712 -8.014 -10.627 376 HG1 THR 101 HG1 THR 101 -4.369 -9.362 -8.224 377 HG21 THR 101 HG21 THR 101 -6.396 -8.819 -9.619 378 HG22 THR 101 HG22 THR 101 -6.027 -9.090 -11.322 379 HG23 THR 101 HG23 THR 101 -5.936 -7.463 -10.648 380 HA PRO 102 HA PRO 102 -0.892 -10.430 -13.460 381 HB2 PRO 102 HB2 PRO 102 -1.521 -8.662 -15.422 382 HB3 PRO 102 HB3 PRO 102 -2.193 -10.296 -15.349 383 HG2 PRO 102 HG2 PRO 102 -3.416 -7.705 -14.480 384 HG3 PRO 102 HG3 PRO 102 -4.157 -9.051 -15.366 385 HD2 PRO 102 HD2 PRO 102 -4.520 -8.680 -12.708 386 HD3 PRO 102 HD3 PRO 102 -4.490 -10.292 -13.452 387 H ALA 103 H ALA 103 0.566 -8.683 -14.646 388 HA ALA 103 HA ALA 103 1.195 -6.679 -12.603 389 HB1 ALA 103 HB1 ALA 103 2.928 -8.332 -13.359 390 HB2 ALA 103 HB2 ALA 103 2.918 -7.519 -14.924 391 HB3 ALA 103 HB3 ALA 103 3.405 -6.638 -13.477 392 H LEU 104 H LEU 104 1.690 -4.514 -13.173 393 HA LEU 104 HA LEU 104 -0.099 -3.239 -14.832 394 HB2 LEU 104 HB2 LEU 104 2.565 -2.454 -13.728 395 HB3 LEU 104 HB3 LEU 104 1.725 -1.379 -14.844 396 HG LEU 104 HG LEU 104 1.332 -0.710 -12.546 397 HD11 LEU 104 HD11 LEU 104 -1.208 -1.958 -13.551 398 HD12 LEU 104 HD12 LEU 104 -0.464 -0.566 -14.338 399 HD13 LEU 104 HD13 LEU 104 -0.998 -0.450 -12.661 400 HD21 LEU 104 HD21 LEU 104 0.517 -2.076 -10.879 401 HD22 LEU 104 HD22 LEU 104 1.568 -3.184 -11.761 402 HD23 LEU 104 HD23 LEU 104 -0.178 -3.232 -12.017 Start of MODEL 15 1 H1 GLU 49 H GLU 49 -3.776 7.241 -8.886 2 HA GLU 49 HA GLU 49 -2.030 7.509 -11.066 3 HB2 GLU 49 HB2 GLU 49 0.138 7.234 -9.805 4 HB3 GLU 49 HB3 GLU 49 -0.593 8.830 -9.708 5 HG2 GLU 49 HG2 GLU 49 -1.213 6.856 -7.576 6 HG3 GLU 49 HG3 GLU 49 0.372 7.628 -7.582 7 H GLU 50 H GLU 50 -0.322 5.588 -10.974 8 HA GLU 50 HA GLU 50 -1.619 3.258 -9.733 9 HB2 GLU 50 HB2 GLU 50 -1.993 3.658 -12.304 10 HB3 GLU 50 HB3 GLU 50 -0.363 3.012 -12.437 11 HG2 GLU 50 HG2 GLU 50 -1.027 0.953 -11.417 12 HG3 GLU 50 HG3 GLU 50 -2.627 1.596 -11.053 13 H GLU 51 H GLU 51 -0.256 2.173 -8.487 14 HA GLU 51 HA GLU 51 2.455 2.788 -8.215 15 HB2 GLU 51 HB2 GLU 51 2.587 0.981 -6.688 16 HB3 GLU 51 HB3 GLU 51 0.957 1.620 -6.536 17 HG2 GLU 51 HG2 GLU 51 1.723 -0.805 -8.145 18 HG3 GLU 51 HG3 GLU 51 1.025 -0.832 -6.528 19 H PHE 52 H PHE 52 4.040 0.685 -8.226 20 HA PHE 52 HA PHE 52 4.870 0.368 -10.840 21 HB2 PHE 52 HB2 PHE 52 6.194 -1.586 -9.984 22 HB3 PHE 52 HB3 PHE 52 6.378 -0.114 -9.036 23 HD1 PHE 52 HD2 PHE 52 4.714 -3.410 -9.134 24 HD2 PHE 52 HD1 PHE 52 5.812 -0.056 -6.755 25 HE1 PHE 52 HE2 PHE 52 4.078 -4.647 -7.104 26 HE2 PHE 52 HE1 PHE 52 5.179 -1.287 -4.720 27 HZ PHE 52 HZ PHE 52 4.311 -3.586 -4.894 28 H GLN 53 H GLN 53 4.944 -1.572 -12.185 29 HA GLN 53 HA GLN 53 2.529 -3.235 -11.897 30 HB2 GLN 53 HB2 GLN 53 2.765 -3.290 -14.529 31 HB3 GLN 53 HB3 GLN 53 1.903 -1.988 -13.718 32 HG2 GLN 53 HG2 GLN 53 3.383 -1.158 -15.473 33 HG3 GLN 53 HG3 GLN 53 3.842 -0.555 -13.881 34 HE21 GLN 53 HE21 GLN 53 4.640 -2.856 -16.402 35 HE22 GLN 53 HE22 GLN 53 6.297 -3.055 -15.958 36 H PHE 54 H PHE 54 4.318 -4.503 -10.737 37 HA PHE 54 HA PHE 54 5.307 -6.495 -12.618 38 HB2 PHE 54 HB2 PHE 54 7.021 -4.692 -11.010 39 HB3 PHE 54 HB3 PHE 54 7.473 -6.395 -11.006 40 HD1 PHE 54 HD2 PHE 54 7.876 -7.538 -13.217 41 HD2 PHE 54 HD1 PHE 54 7.521 -3.314 -12.830 42 HE1 PHE 54 HE2 PHE 54 8.988 -7.249 -15.393 43 HE2 PHE 54 HE1 PHE 54 8.631 -3.019 -15.006 44 HZ PHE 54 HZ PHE 54 9.366 -4.987 -16.291 45 H LEU 55 H LEU 55 5.305 -8.540 -11.811 46 HA LEU 55 HA LEU 55 4.449 -8.839 -9.008 47 HB2 LEU 55 HB2 LEU 55 3.977 -10.794 -11.247 48 HB3 LEU 55 HB3 LEU 55 3.267 -10.813 -9.634 49 HG LEU 55 HG LEU 55 2.719 -8.529 -11.489 50 HD11 LEU 55 HD11 LEU 55 2.090 -10.233 -12.925 51 HD12 LEU 55 HD12 LEU 55 0.598 -9.891 -12.050 52 HD13 LEU 55 HD13 LEU 55 1.576 -11.291 -11.611 53 HD21 LEU 55 HD21 LEU 55 1.416 -7.904 -9.807 54 HD22 LEU 55 HD22 LEU 55 1.906 -9.326 -8.887 55 HD23 LEU 55 HD23 LEU 55 0.502 -9.405 -9.951 56 H ARG 56 H ARG 56 4.820 -11.494 -8.619 57 HA ARG 56 HA ARG 56 7.619 -12.068 -9.265 58 HB2 ARG 56 HB2 ARG 56 7.443 -10.903 -7.025 59 HB3 ARG 56 HB3 ARG 56 6.545 -12.304 -6.454 60 HG2 ARG 56 HG2 ARG 56 9.008 -13.102 -7.722 61 HG3 ARG 56 HG3 ARG 56 9.300 -11.943 -6.424 62 HD2 ARG 56 HD2 ARG 56 7.760 -14.528 -6.221 63 HD3 ARG 56 HD3 ARG 56 9.359 -14.203 -5.553 64 HE ARG 56 HE ARG 56 6.832 -13.452 -4.429 65 HH11 ARG 56 HH11 ARG 56 10.212 -12.638 -4.619 66 HH12 ARG 56 HH12 ARG 56 10.230 -11.806 -3.100 67 HH21 ARG 56 HH21 ARG 56 6.844 -12.358 -2.427 68 HH22 ARG 56 HH22 ARG 56 8.315 -11.648 -1.854 69 H CYS 57 H CYS 57 7.719 -14.036 -10.099 70 HA CYS 57 HA CYS 57 5.645 -15.858 -10.236 71 HB2 CYS 57 HB2 CYS 57 7.814 -15.803 -11.586 72 HB3 CYS 57 HB3 CYS 57 8.549 -16.673 -10.244 73 H GLN 58 H GLN 58 4.689 -17.075 -8.757 74 HA GLN 58 HA GLN 58 5.798 -17.383 -6.131 75 HB2 GLN 58 HB2 GLN 58 3.284 -18.390 -7.452 76 HB3 GLN 58 HB3 GLN 58 3.720 -18.839 -5.808 77 HG2 GLN 58 HG2 GLN 58 3.686 -15.954 -6.505 78 HG3 GLN 58 HG3 GLN 58 2.144 -16.791 -6.327 79 HE21 GLN 58 HE21 GLN 58 5.185 -16.085 -4.699 80 HE22 GLN 58 HE22 GLN 58 4.556 -16.173 -3.092 81 H GLN 59 H GLN 59 6.528 -18.896 -8.916 82 HA GLN 59 HA GLN 59 7.060 -21.466 -7.576 83 HB2 GLN 59 HB2 GLN 59 6.463 -22.612 -9.431 84 HB3 GLN 59 HB3 GLN 59 5.551 -21.153 -9.797 85 HG2 GLN 59 HG2 GLN 59 6.621 -21.215 -11.750 86 HG3 GLN 59 HG3 GLN 59 7.982 -20.549 -10.848 87 HE21 GLN 59 HE21 GLN 59 9.788 -21.736 -10.605 88 HE22 GLN 59 HE22 GLN 59 9.998 -23.336 -11.222 89 H CYS 60 H CYS 60 8.380 -18.754 -9.223 90 HA CYS 60 HA CYS 60 11.010 -20.067 -9.377 91 HB2 CYS 60 HB2 CYS 60 9.750 -17.838 -10.933 92 HB3 CYS 60 HB3 CYS 60 11.503 -17.921 -10.799 93 H GLN 61 H GLN 61 9.184 -17.659 -7.774 94 HA GLN 61 HA GLN 61 9.671 -16.146 -6.147 95 HB2 GLN 61 HB2 GLN 61 12.255 -17.649 -5.761 96 HB3 GLN 61 HB3 GLN 61 11.354 -16.724 -4.566 97 HG2 GLN 61 HG2 GLN 61 9.546 -18.374 -4.665 98 HG3 GLN 61 HG3 GLN 61 10.474 -19.306 -5.837 99 HE21 GLN 61 HE21 GLN 61 11.513 -20.958 -5.009 100 HE22 GLN 61 HE22 GLN 61 12.132 -21.076 -3.401 101 H ALA 62 H ALA 62 10.383 -15.424 -8.776 102 HA ALA 62 HA ALA 62 12.459 -13.458 -8.179 103 HB1 ALA 62 HB1 ALA 62 13.498 -15.475 -9.307 104 HB2 ALA 62 HB2 ALA 62 12.580 -15.022 -10.744 105 HB3 ALA 62 HB3 ALA 62 13.780 -13.914 -10.077 106 H GLU 63 H GLU 63 12.679 -11.998 -10.290 107 HA GLU 63 HA GLU 63 10.193 -10.700 -10.590 108 HB2 GLU 63 HB2 GLU 63 12.842 -10.427 -11.992 109 HB3 GLU 63 HB3 GLU 63 11.451 -9.464 -12.468 110 HG2 GLU 63 HG2 GLU 63 11.385 -8.332 -10.427 111 HG3 GLU 63 HG3 GLU 63 12.407 -9.528 -9.631 112 H ALA 64 H ALA 64 8.599 -10.914 -12.036 113 HA ALA 64 HA ALA 64 8.999 -12.835 -14.232 114 HB1 ALA 64 HB1 ALA 64 6.324 -12.064 -13.111 115 HB2 ALA 64 HB2 ALA 64 6.759 -13.490 -14.054 116 HB3 ALA 64 HB3 ALA 64 7.306 -13.337 -12.384 117 H LYS 65 H LYS 65 9.246 -11.876 -16.134 118 HA LYS 65 HA LYS 65 8.604 -9.194 -16.685 119 HB2 LYS 65 HB2 LYS 65 9.317 -11.550 -18.408 120 HB3 LYS 65 HB3 LYS 65 8.881 -10.008 -19.132 121 HG2 LYS 65 HG2 LYS 65 10.748 -8.928 -18.253 122 HG3 LYS 65 HG3 LYS 65 11.025 -10.189 -17.048 123 HD2 LYS 65 HD2 LYS 65 11.236 -10.709 -20.004 124 HD3 LYS 65 HD3 LYS 65 12.603 -10.135 -19.046 125 HE2 LYS 65 HE2 LYS 65 12.355 -12.093 -17.571 126 HE3 LYS 65 HE3 LYS 65 11.037 -12.672 -18.587 127 HZ1 LYS 65 HZ1 LYS 65 13.681 -13.252 -18.902 128 HZ2 LYS 65 HZ2 LYS 65 13.397 -12.085 -20.091 129 HZ3 LYS 65 HZ3 LYS 65 12.467 -13.498 -20.055 130 H CYS 66 H CYS 66 7.185 -12.013 -18.342 131 HA CYS 66 HA CYS 66 4.628 -10.552 -18.416 132 HB2 CYS 66 HB2 CYS 66 6.088 -12.127 -20.455 133 HB3 CYS 66 HB3 CYS 66 4.344 -12.351 -20.408 134 HG CYS 66 HG CYS 66 4.898 -10.498 -22.402 135 HA PRO 67 HA PRO 67 4.037 -14.407 -15.878 136 HB2 PRO 67 HB2 PRO 67 2.682 -13.172 -13.875 137 HB3 PRO 67 HB3 PRO 67 4.446 -13.288 -13.915 138 HG2 PRO 67 HG2 PRO 67 2.680 -11.001 -14.697 139 HG3 PRO 67 HG3 PRO 67 4.194 -10.980 -13.774 140 HD2 PRO 67 HD2 PRO 67 4.082 -10.344 -16.403 141 HD3 PRO 67 HD3 PRO 67 5.498 -11.122 -15.669 142 H LYS 68 H LYS 68 2.117 -15.570 -15.584 143 HA LYS 68 HA LYS 68 -0.353 -14.311 -16.552 144 HB2 LYS 68 HB2 LYS 68 0.602 -17.054 -17.388 145 HB3 LYS 68 HB3 LYS 68 -0.885 -16.266 -17.898 146 HG2 LYS 68 HG2 LYS 68 1.679 -14.870 -18.428 147 HG3 LYS 68 HG3 LYS 68 1.281 -16.284 -19.407 148 HD2 LYS 68 HD2 LYS 68 0.163 -14.815 -20.688 149 HD3 LYS 68 HD3 LYS 68 -1.076 -14.917 -19.435 150 HE2 LYS 68 HE2 LYS 68 -0.376 -12.924 -18.423 151 HE3 LYS 68 HE3 LYS 68 1.180 -12.948 -19.252 152 HZ1 LYS 68 HZ1 LYS 68 -1.375 -11.945 -20.154 153 HZ2 LYS 68 HZ2 LYS 68 -0.542 -12.858 -21.307 154 HZ3 LYS 68 HZ3 LYS 68 0.189 -11.498 -20.618 155 H LEU 69 H LEU 69 -2.306 -15.377 -15.868 156 HA LEU 69 HA LEU 69 -1.965 -16.690 -13.276 157 HB2 LEU 69 HB2 LEU 69 -4.016 -14.986 -14.522 158 HB3 LEU 69 HB3 LEU 69 -4.632 -16.281 -13.498 159 HG LEU 69 HG LEU 69 -2.671 -14.163 -12.619 160 HD11 LEU 69 HD11 LEU 69 -5.140 -13.539 -13.177 161 HD12 LEU 69 HD12 LEU 69 -4.401 -12.975 -11.679 162 HD13 LEU 69 HD13 LEU 69 -5.488 -14.365 -11.658 163 HD21 LEU 69 HD21 LEU 69 -3.389 -15.044 -10.344 164 HD22 LEU 69 HD22 LEU 69 -2.310 -16.068 -11.290 165 HD23 LEU 69 HD23 LEU 69 -4.032 -16.440 -11.208 166 H LEU 70 H LEU 70 -1.890 -18.837 -13.359 167 HA LEU 70 HA LEU 70 -2.682 -20.494 -15.408 168 HB2 LEU 70 HB2 LEU 70 -2.359 -20.925 -12.467 169 HB3 LEU 70 HB3 LEU 70 -2.940 -22.234 -13.495 170 HG LEU 70 HG LEU 70 -0.625 -22.586 -13.233 171 HD11 LEU 70 HD11 LEU 70 -1.518 -22.767 -15.553 172 HD12 LEU 70 HD12 LEU 70 0.216 -22.453 -15.464 173 HD13 LEU 70 HD13 LEU 70 -0.897 -21.145 -15.864 174 HD21 LEU 70 HD21 LEU 70 -0.224 -19.685 -13.959 175 HD22 LEU 70 HD22 LEU 70 1.059 -20.860 -13.669 176 HD23 LEU 70 HD23 LEU 70 -0.025 -20.395 -12.356 177 HA PRO 71 HA PRO 71 -7.052 -20.881 -15.351 178 HB2 PRO 71 HB2 PRO 71 -7.413 -23.531 -15.811 179 HB3 PRO 71 HB3 PRO 71 -6.845 -22.410 -17.053 180 HG2 PRO 71 HG2 PRO 71 -5.272 -24.297 -15.343 181 HG3 PRO 71 HG3 PRO 71 -5.106 -23.954 -17.075 182 HD2 PRO 71 HD2 PRO 71 -3.469 -22.868 -15.211 183 HD3 PRO 71 HD3 PRO 71 -3.913 -22.016 -16.705 184 H CYS 72 H CYS 72 -5.165 -22.290 -12.949 185 HA CYS 72 HA CYS 72 -7.435 -23.420 -11.497 186 HB2 CYS 72 HB2 CYS 72 -4.455 -23.540 -11.146 187 HB3 CYS 72 HB3 CYS 72 -5.525 -23.954 -9.810 188 H LEU 73 H LEU 73 -4.649 -21.637 -10.228 189 HA LEU 73 HA LEU 73 -5.918 -19.264 -9.540 190 HB2 LEU 73 HB2 LEU 73 -6.192 -19.691 -7.062 191 HB3 LEU 73 HB3 LEU 73 -7.413 -20.384 -8.126 192 HG LEU 73 HG LEU 73 -5.930 -22.532 -7.945 193 HD11 LEU 73 HD11 LEU 73 -5.127 -20.964 -5.503 194 HD12 LEU 73 HD12 LEU 73 -4.072 -21.602 -6.762 195 HD13 LEU 73 HD13 LEU 73 -4.919 -22.706 -5.679 196 HD21 LEU 73 HD21 LEU 73 -7.336 -22.059 -5.401 197 HD22 LEU 73 HD22 LEU 73 -7.545 -23.339 -6.597 198 HD23 LEU 73 HD23 LEU 73 -8.276 -21.755 -6.862 199 H HIS 74 H HIS 74 -3.373 -20.223 -10.388 200 HA HIS 74 HA HIS 74 -1.697 -19.193 -8.195 201 HB2 HIS 74 HB2 HIS 74 -0.431 -21.026 -10.147 202 HB3 HIS 74 HB3 HIS 74 -0.160 -20.862 -8.415 203 HD1 HIS 74 HD1 HIS 74 -1.701 -22.238 -6.839 204 HD2 HIS 74 HD2 HIS 74 -2.326 -22.928 -10.888 205 HE1 HIS 74 HE1 HIS 74 -3.101 -24.324 -6.957 206 H THR 75 H THR 75 0.429 -18.332 -9.005 207 HA THR 75 HA THR 75 0.062 -17.001 -11.611 208 HB THR 75 HB THR 75 1.447 -15.842 -9.186 209 HG1 THR 75 HG1 THR 75 -0.739 -15.771 -8.800 210 HG21 THR 75 HG21 THR 75 2.391 -14.469 -10.672 211 HG22 THR 75 HG22 THR 75 0.779 -13.829 -10.995 212 HG23 THR 75 HG23 THR 75 1.427 -15.134 -11.990 213 H LEU 76 H LEU 76 1.742 -17.012 -13.014 214 HA LEU 76 HA LEU 76 4.334 -18.022 -12.078 215 HB2 LEU 76 HB2 LEU 76 2.500 -19.272 -13.963 216 HB3 LEU 76 HB3 LEU 76 4.114 -19.038 -14.629 217 HG LEU 76 HG LEU 76 5.045 -20.291 -12.707 218 HD11 LEU 76 HD11 LEU 76 2.336 -20.014 -11.757 219 HD12 LEU 76 HD12 LEU 76 3.787 -20.522 -10.893 220 HD13 LEU 76 HD13 LEU 76 2.833 -21.707 -11.785 221 HD21 LEU 76 HD21 LEU 76 4.839 -22.213 -13.843 222 HD22 LEU 76 HD22 LEU 76 3.901 -21.250 -14.985 223 HD23 LEU 76 HD23 LEU 76 3.078 -22.199 -13.745 224 H CYS 77 H CYS 77 6.004 -17.791 -13.931 225 HA CYS 77 HA CYS 77 5.750 -15.057 -14.949 226 HB2 CYS 77 HB2 CYS 77 8.190 -15.136 -15.224 227 HB3 CYS 77 HB3 CYS 77 7.721 -15.542 -13.576 228 H SER 78 H SER 78 6.857 -14.642 -17.092 229 HA SER 78 HA SER 78 5.534 -15.967 -19.137 230 HB2 SER 78 HB2 SER 78 6.986 -14.776 -20.672 231 HB3 SER 78 HB3 SER 78 6.585 -13.713 -19.324 232 HG SER 78 HG SER 78 9.013 -14.984 -19.933 233 H GLY 79 H GLY 79 8.983 -16.268 -18.261 234 HA2 GLY 79 HA2 GLY 79 9.686 -18.263 -20.046 235 HA3 GLY 79 HA3 GLY 79 10.438 -18.032 -18.474 236 H CYS 80 H CYS 80 7.877 -18.531 -17.073 237 HA CYS 80 HA CYS 80 8.161 -21.366 -16.819 238 HB2 CYS 80 HB2 CYS 80 6.704 -19.213 -15.434 239 HB3 CYS 80 HB3 CYS 80 5.896 -20.777 -15.413 240 H LEU 81 H LEU 81 5.884 -19.213 -18.386 241 HA LEU 81 HA LEU 81 3.860 -21.132 -18.881 242 HB2 LEU 81 HB2 LEU 81 4.472 -18.389 -19.686 243 HB3 LEU 81 HB3 LEU 81 3.626 -19.318 -20.922 244 HG LEU 81 HG LEU 81 2.029 -18.077 -19.623 245 HD11 LEU 81 HD11 LEU 81 0.708 -19.826 -19.955 246 HD12 LEU 81 HD12 LEU 81 1.165 -20.415 -18.358 247 HD13 LEU 81 HD13 LEU 81 2.060 -20.945 -19.782 248 HD21 LEU 81 HD21 LEU 81 1.820 -18.875 -17.135 249 HD22 LEU 81 HD22 LEU 81 2.938 -17.583 -17.575 250 HD23 LEU 81 HD23 LEU 81 3.539 -19.223 -17.323 251 H GLU 82 H GLU 82 6.617 -19.984 -20.788 252 HA GLU 82 HA GLU 82 6.005 -21.680 -23.023 253 HB2 GLU 82 HB2 GLU 82 7.363 -19.429 -22.923 254 HB3 GLU 82 HB3 GLU 82 8.718 -20.499 -22.585 255 HG2 GLU 82 HG2 GLU 82 7.030 -21.236 -24.885 256 HG3 GLU 82 HG3 GLU 82 7.978 -19.759 -25.052 257 H ALA 83 H ALA 83 8.505 -21.678 -20.493 258 HA ALA 83 HA ALA 83 9.748 -24.079 -21.287 259 HB1 ALA 83 HB1 ALA 83 9.674 -23.057 -18.462 260 HB2 ALA 83 HB2 ALA 83 10.948 -23.978 -19.265 261 HB3 ALA 83 HB3 ALA 83 10.653 -22.299 -19.719 262 H SER 84 H SER 84 7.399 -23.458 -18.676 263 HA SER 84 HA SER 84 7.016 -26.301 -18.268 264 HB2 SER 84 HB2 SER 84 6.741 -24.030 -16.659 265 HB3 SER 84 HB3 SER 84 5.093 -24.611 -16.901 266 HG SER 84 HG SER 84 6.508 -25.523 -15.108 267 H GLY 85 H GLY 85 6.115 -24.588 -20.720 268 HA2 GLY 85 HA2 GLY 85 4.241 -24.389 -22.071 269 HA3 GLY 85 HA3 GLY 85 4.153 -26.115 -21.747 270 H MET 86 H MET 86 3.538 -23.286 -19.677 271 HA MET 86 HA MET 86 1.699 -22.631 -18.508 272 HB2 MET 86 HB2 MET 86 -0.035 -24.435 -20.160 273 HB3 MET 86 HB3 MET 86 -0.413 -22.861 -19.473 274 HG2 MET 86 HG2 MET 86 1.638 -22.274 -21.182 275 HG3 MET 86 HG3 MET 86 0.782 -23.554 -22.039 276 HE1 MET 86 HE1 MET 86 -0.810 -23.062 -23.666 277 HE2 MET 86 HE2 MET 86 -2.054 -23.333 -22.446 278 HE3 MET 86 HE3 MET 86 -2.166 -21.943 -23.526 279 H GLN 87 H GLN 87 3.232 -24.842 -17.604 280 HA GLN 87 HA GLN 87 1.625 -27.009 -16.764 281 HB2 GLN 87 HB2 GLN 87 4.296 -26.485 -16.740 282 HB3 GLN 87 HB3 GLN 87 3.903 -26.289 -15.038 283 HG2 GLN 87 HG2 GLN 87 3.665 -28.478 -14.726 284 HG3 GLN 87 HG3 GLN 87 2.722 -28.676 -16.203 285 HE21 GLN 87 HE21 GLN 87 4.085 -28.444 -18.249 286 HE22 GLN 87 HE22 GLN 87 5.596 -29.282 -18.247 287 H CYS 88 H CYS 88 2.108 -27.252 -14.041 288 HA CYS 88 HA CYS 88 0.918 -24.937 -12.738 289 HB2 CYS 88 HB2 CYS 88 -0.768 -26.879 -13.667 290 HB3 CYS 88 HB3 CYS 88 -0.454 -27.442 -12.029 291 HA PRO 89 HA PRO 89 4.086 -27.223 -10.222 292 HB2 PRO 89 HB2 PRO 89 5.504 -25.006 -9.560 293 HB3 PRO 89 HB3 PRO 89 5.792 -25.924 -11.043 294 HG2 PRO 89 HG2 PRO 89 4.233 -23.398 -10.651 295 HG3 PRO 89 HG3 PRO 89 5.371 -23.820 -11.943 296 HD2 PRO 89 HD2 PRO 89 2.686 -23.959 -12.266 297 HD3 PRO 89 HD3 PRO 89 3.805 -25.063 -13.089 298 H ILE 90 H ILE 90 2.547 -24.079 -9.593 299 HA ILE 90 HA ILE 90 2.720 -24.255 -6.768 300 HB ILE 90 HB ILE 90 0.667 -22.658 -8.289 301 HG12 ILE 90 HG12 ILE 90 2.890 -22.265 -9.271 302 HG13 ILE 90 HG13 ILE 90 2.309 -20.846 -8.407 303 HG21 ILE 90 HG21 ILE 90 1.379 -22.909 -5.541 304 HG22 ILE 90 HG22 ILE 90 1.770 -21.279 -6.085 305 HG23 ILE 90 HG23 ILE 90 0.131 -21.902 -6.274 306 HD11 ILE 90 HD11 ILE 90 4.646 -21.178 -7.959 307 HD12 ILE 90 HD12 ILE 90 3.717 -21.479 -6.489 308 HD13 ILE 90 HD13 ILE 90 4.344 -22.832 -7.429 309 H CYS 91 H CYS 91 0.727 -25.806 -9.030 310 HA CYS 91 HA CYS 91 -1.710 -26.050 -7.724 311 HB2 CYS 91 HB2 CYS 91 -0.661 -27.050 -10.027 312 HB3 CYS 91 HB3 CYS 91 -0.733 -28.504 -9.038 313 H GLN 92 H GLN 92 1.355 -27.382 -6.911 314 HA GLN 92 HA GLN 92 0.497 -29.613 -5.401 315 HB2 GLN 92 HB2 GLN 92 3.014 -27.951 -5.280 316 HB3 GLN 92 HB3 GLN 92 2.767 -29.399 -4.314 317 HG2 GLN 92 HG2 GLN 92 2.978 -30.797 -6.096 318 HG3 GLN 92 HG3 GLN 92 2.369 -29.605 -7.244 319 HE21 GLN 92 HE21 GLN 92 5.052 -29.686 -4.920 320 HE22 GLN 92 HE22 GLN 92 6.273 -29.233 -6.054 321 H ALA 93 H ALA 93 0.422 -26.246 -4.799 322 HA ALA 93 HA ALA 93 0.003 -26.689 -1.921 323 HB1 ALA 93 HB1 ALA 93 1.749 -25.041 -2.648 324 HB2 ALA 93 HB2 ALA 93 0.443 -24.045 -3.292 325 HB3 ALA 93 HB3 ALA 93 0.517 -24.394 -1.565 326 HA PRO 94 HA PRO 94 -4.317 -26.172 -3.159 327 HB2 PRO 94 HB2 PRO 94 -5.320 -27.164 -0.840 328 HB3 PRO 94 HB3 PRO 94 -4.744 -28.194 -2.155 329 HG2 PRO 94 HG2 PRO 94 -3.349 -27.384 0.368 330 HG3 PRO 94 HG3 PRO 94 -3.412 -28.975 -0.415 331 HD2 PRO 94 HD2 PRO 94 -1.284 -27.318 -0.651 332 HD3 PRO 94 HD3 PRO 94 -1.781 -28.425 -1.947 333 H TRP 95 H TRP 95 -4.043 -23.850 -3.065 334 HA TRP 95 HA TRP 95 -5.002 -22.721 -0.519 335 HB2 TRP 95 HB2 TRP 95 -3.566 -20.875 -0.683 336 HB3 TRP 95 HB3 TRP 95 -2.547 -22.235 -1.151 337 HD1 TRP 95 HD1 TRP 95 -2.736 -22.607 -4.072 338 HE1 TRP 95 HE1 TRP 95 -2.300 -20.757 -5.807 339 HE3 TRP 95 HE3 TRP 95 -3.486 -18.515 -1.101 340 HZ2 TRP 95 HZ2 TRP 95 -2.278 -17.937 -5.904 341 HZ3 TRP 95 HZ3 TRP 95 -3.238 -16.276 -2.093 342 HH2 TRP 95 HH2 TRP 95 -2.646 -15.995 -4.444 343 HA PRO 96 HA PRO 96 -8.267 -20.837 -2.766 344 HB2 PRO 96 HB2 PRO 96 -8.578 -18.496 -1.428 345 HB3 PRO 96 HB3 PRO 96 -9.056 -20.058 -0.753 346 HG2 PRO 96 HG2 PRO 96 -6.576 -18.458 -0.252 347 HG3 PRO 96 HG3 PRO 96 -7.598 -19.331 0.905 348 HD2 PRO 96 HD2 PRO 96 -5.262 -20.338 -0.023 349 HD3 PRO 96 HD3 PRO 96 -6.644 -21.368 0.405 350 H LEU 97 H LEU 97 -8.829 -19.116 -4.202 351 HA LEU 97 HA LEU 97 -6.769 -18.220 -5.847 352 HB2 LEU 97 HB2 LEU 97 -9.629 -17.408 -5.505 353 HB3 LEU 97 HB3 LEU 97 -8.582 -16.535 -6.622 354 HG LEU 97 HG LEU 97 -8.647 -19.471 -6.935 355 HD11 LEU 97 HD11 LEU 97 -10.759 -19.337 -8.235 356 HD12 LEU 97 HD12 LEU 97 -11.020 -17.727 -7.568 357 HD13 LEU 97 HD13 LEU 97 -10.977 -19.127 -6.497 358 HD21 LEU 97 HD21 LEU 97 -7.459 -17.654 -8.350 359 HD22 LEU 97 HD22 LEU 97 -9.058 -17.391 -9.047 360 HD23 LEU 97 HD23 LEU 97 -8.291 -18.975 -9.169 361 H GLY 98 H GLY 98 -6.780 -15.680 -6.427 362 HA2 GLY 98 HA2 GLY 98 -6.438 -14.167 -3.924 363 HA3 GLY 98 HA3 GLY 98 -5.115 -14.246 -5.079 364 H ALA 99 H ALA 99 -5.421 -11.849 -4.904 365 HA ALA 99 HA ALA 99 -7.437 -10.967 -6.865 366 HB1 ALA 99 HB1 ALA 99 -6.483 -8.996 -4.883 367 HB2 ALA 99 HB2 ALA 99 -8.086 -9.217 -5.588 368 HB3 ALA 99 HB3 ALA 99 -7.544 -10.269 -4.279 369 H ASP 100 H ASP 100 -4.175 -11.215 -6.087 370 HA ASP 100 HA ASP 100 -3.128 -8.865 -7.248 371 HB2 ASP 100 HB2 ASP 100 -1.007 -10.182 -7.420 372 HB3 ASP 100 HB3 ASP 100 -1.735 -10.209 -5.815 373 H THR 101 H THR 101 -4.124 -8.444 -9.205 374 HA THR 101 HA THR 101 -4.532 -10.247 -11.293 375 HB THR 101 HB THR 101 -4.183 -7.960 -12.680 376 HG1 THR 101 HG1 THR 101 -3.474 -6.739 -10.921 377 HG21 THR 101 HG21 THR 101 -6.276 -9.428 -12.108 378 HG22 THR 101 HG22 THR 101 -6.484 -7.768 -12.667 379 HG23 THR 101 HG23 THR 101 -6.611 -8.143 -10.949 380 HA PRO 102 HA PRO 102 -0.642 -10.927 -13.207 381 HB2 PRO 102 HB2 PRO 102 -1.266 -10.853 -15.848 382 HB3 PRO 102 HB3 PRO 102 -1.743 -12.182 -14.785 383 HG2 PRO 102 HG2 PRO 102 -3.349 -9.836 -15.722 384 HG3 PRO 102 HG3 PRO 102 -3.828 -11.539 -15.589 385 HD2 PRO 102 HD2 PRO 102 -4.511 -9.685 -13.737 386 HD3 PRO 102 HD3 PRO 102 -4.212 -11.386 -13.321 387 H ALA 103 H ALA 103 1.027 -10.008 -14.577 388 HA ALA 103 HA ALA 103 0.956 -7.103 -14.528 389 HB1 ALA 103 HB1 ALA 103 3.337 -7.214 -14.952 390 HB2 ALA 103 HB2 ALA 103 2.910 -8.313 -13.640 391 HB3 ALA 103 HB3 ALA 103 3.229 -8.948 -15.254 392 H LEU 104 H LEU 104 1.463 -5.791 -16.337 393 HA LEU 104 HA LEU 104 0.110 -6.330 -18.672 394 HB2 LEU 104 HB2 LEU 104 2.367 -4.471 -18.032 395 HB3 LEU 104 HB3 LEU 104 1.731 -4.576 -19.672 396 HG LEU 104 HG LEU 104 -0.530 -4.001 -18.699 397 HD11 LEU 104 HD11 LEU 104 -0.539 -4.298 -16.452 398 HD12 LEU 104 HD12 LEU 104 -0.064 -2.600 -16.485 399 HD13 LEU 104 HD13 LEU 104 1.158 -3.853 -16.272 400 HD21 LEU 104 HD21 LEU 104 0.520 -2.297 -19.893 401 HD22 LEU 104 HD22 LEU 104 1.802 -2.117 -18.696 402 HD23 LEU 104 HD23 LEU 104 0.169 -1.557 -18.331 Start of MODEL 16 1 H1 GLU 49 H GLU 49 3.564 3.756 2.537 2 HA GLU 49 HA GLU 49 6.376 3.360 1.751 3 HB2 GLU 49 HB2 GLU 49 4.275 1.286 2.405 4 HB3 GLU 49 HB3 GLU 49 5.917 0.937 1.883 5 HG2 GLU 49 HG2 GLU 49 6.536 2.431 3.958 6 HG3 GLU 49 HG3 GLU 49 4.929 1.945 4.494 7 H GLU 50 H GLU 50 6.858 2.811 -0.320 8 HA GLU 50 HA GLU 50 4.595 2.635 -2.199 9 HB2 GLU 50 HB2 GLU 50 5.989 4.712 -2.369 10 HB3 GLU 50 HB3 GLU 50 7.360 3.697 -2.793 11 HG2 GLU 50 HG2 GLU 50 6.287 4.715 -4.750 12 HG3 GLU 50 HG3 GLU 50 6.253 2.954 -4.796 13 H GLU 51 H GLU 51 4.736 1.181 -3.923 14 HA GLU 51 HA GLU 51 6.894 -0.815 -3.712 15 HB2 GLU 51 HB2 GLU 51 5.355 -2.585 -4.094 16 HB3 GLU 51 HB3 GLU 51 4.660 -1.585 -2.828 17 HG2 GLU 51 HG2 GLU 51 3.175 -0.540 -4.437 18 HG3 GLU 51 HG3 GLU 51 3.898 -1.486 -5.738 19 H PHE 52 H PHE 52 6.426 -2.368 -5.845 20 HA PHE 52 HA PHE 52 6.684 -0.500 -8.104 21 HB2 PHE 52 HB2 PHE 52 8.565 -2.222 -7.273 22 HB3 PHE 52 HB3 PHE 52 7.673 -3.290 -8.351 23 HD1 PHE 52 HD2 PHE 52 8.780 0.276 -8.448 24 HD2 PHE 52 HD1 PHE 52 8.633 -3.497 -10.414 25 HE1 PHE 52 HE2 PHE 52 9.969 1.237 -10.376 26 HE2 PHE 52 HE1 PHE 52 9.823 -2.542 -12.343 27 HZ PHE 52 HZ PHE 52 10.492 -0.172 -12.327 28 H GLN 53 H GLN 53 6.070 -1.471 -10.254 29 HA GLN 53 HA GLN 53 3.458 -2.755 -9.967 30 HB2 GLN 53 HB2 GLN 53 4.507 -1.743 -12.578 31 HB3 GLN 53 HB3 GLN 53 2.852 -1.796 -11.987 32 HG2 GLN 53 HG2 GLN 53 5.001 0.079 -11.026 33 HG3 GLN 53 HG3 GLN 53 3.692 0.485 -12.134 34 HE21 GLN 53 HE21 GLN 53 4.159 1.829 -9.736 35 HE22 GLN 53 HE22 GLN 53 2.827 1.540 -8.674 36 H PHE 54 H PHE 54 4.845 -4.745 -9.436 37 HA PHE 54 HA PHE 54 4.828 -6.434 -11.764 38 HB2 PHE 54 HB2 PHE 54 7.340 -5.357 -10.709 39 HB3 PHE 54 HB3 PHE 54 7.323 -7.114 -10.814 40 HD1 PHE 54 HD2 PHE 54 6.745 -8.177 -13.037 41 HD2 PHE 54 HD1 PHE 54 7.662 -4.042 -12.608 42 HE1 PHE 54 HE2 PHE 54 7.227 -8.037 -15.446 43 HE2 PHE 54 HE1 PHE 54 8.145 -3.896 -15.016 44 HZ PHE 54 HZ PHE 54 7.928 -5.895 -16.438 45 H LEU 55 H LEU 55 5.051 -8.694 -11.236 46 HA LEU 55 HA LEU 55 4.341 -9.231 -8.436 47 HB2 LEU 55 HB2 LEU 55 3.986 -11.361 -10.432 48 HB3 LEU 55 HB3 LEU 55 2.915 -10.827 -9.137 49 HG LEU 55 HG LEU 55 3.243 -9.391 -11.768 50 HD11 LEU 55 HD11 LEU 55 0.701 -10.704 -11.252 51 HD12 LEU 55 HD12 LEU 55 2.044 -11.837 -11.405 52 HD13 LEU 55 HD13 LEU 55 1.699 -10.696 -12.705 53 HD21 LEU 55 HD21 LEU 55 2.481 -8.118 -9.706 54 HD22 LEU 55 HD22 LEU 55 1.033 -9.126 -9.748 55 HD23 LEU 55 HD23 LEU 55 1.413 -8.068 -11.109 56 H ARG 56 H ARG 56 4.807 -11.915 -8.280 57 HA ARG 56 HA ARG 56 7.603 -12.362 -8.989 58 HB2 ARG 56 HB2 ARG 56 7.498 -11.276 -6.711 59 HB3 ARG 56 HB3 ARG 56 6.635 -12.702 -6.150 60 HG2 ARG 56 HG2 ARG 56 9.071 -13.421 -7.526 61 HG3 ARG 56 HG3 ARG 56 9.379 -12.315 -6.185 62 HD2 ARG 56 HD2 ARG 56 7.864 -14.921 -6.050 63 HD3 ARG 56 HD3 ARG 56 9.489 -14.625 -5.435 64 HE ARG 56 HE ARG 56 7.003 -13.895 -4.189 65 HH11 ARG 56 HH11 ARG 56 10.407 -13.204 -4.418 66 HH12 ARG 56 HH12 ARG 56 10.499 -12.476 -2.849 67 HH21 ARG 56 HH21 ARG 56 7.110 -12.939 -2.121 68 HH22 ARG 56 HH22 ARG 56 8.622 -12.327 -1.542 69 H CYS 57 H CYS 57 7.670 -14.277 -9.940 70 HA CYS 57 HA CYS 57 5.662 -16.151 -10.058 71 HB2 CYS 57 HB2 CYS 57 7.810 -15.995 -11.447 72 HB3 CYS 57 HB3 CYS 57 8.573 -16.924 -10.160 73 H GLN 58 H GLN 58 4.762 -17.413 -8.581 74 HA GLN 58 HA GLN 58 5.957 -17.794 -6.004 75 HB2 GLN 58 HB2 GLN 58 3.471 -19.043 -7.186 76 HB3 GLN 58 HB3 GLN 58 3.929 -19.072 -5.488 77 HG2 GLN 58 HG2 GLN 58 3.426 -16.539 -7.025 78 HG3 GLN 58 HG3 GLN 58 2.183 -17.390 -6.109 79 HE21 GLN 58 HE21 GLN 58 2.884 -17.910 -3.799 80 HE22 GLN 58 HE22 GLN 58 3.650 -16.624 -2.937 81 H GLN 59 H GLN 59 6.647 -19.193 -8.845 82 HA GLN 59 HA GLN 59 7.241 -21.804 -7.612 83 HB2 GLN 59 HB2 GLN 59 6.594 -22.895 -9.481 84 HB3 GLN 59 HB3 GLN 59 5.665 -21.433 -9.783 85 HG2 GLN 59 HG2 GLN 59 6.685 -21.462 -11.767 86 HG3 GLN 59 HG3 GLN 59 8.045 -20.766 -10.887 87 HE21 GLN 59 HE21 GLN 59 9.896 -21.884 -10.737 88 HE22 GLN 59 HE22 GLN 59 10.138 -23.476 -11.365 89 H CYS 60 H CYS 60 8.468 -19.035 -9.256 90 HA CYS 60 HA CYS 60 11.109 -20.303 -9.527 91 HB2 CYS 60 HB2 CYS 60 9.763 -18.034 -10.946 92 HB3 CYS 60 HB3 CYS 60 11.522 -18.075 -10.863 93 H GLN 61 H GLN 61 9.318 -17.940 -7.796 94 HA GLN 61 HA GLN 61 9.846 -16.513 -6.105 95 HB2 GLN 61 HB2 GLN 61 12.463 -17.991 -5.880 96 HB3 GLN 61 HB3 GLN 61 11.592 -17.137 -4.613 97 HG2 GLN 61 HG2 GLN 61 9.803 -18.812 -4.735 98 HG3 GLN 61 HG3 GLN 61 10.718 -19.679 -5.968 99 HE21 GLN 61 HE21 GLN 61 11.872 -21.310 -5.255 100 HE22 GLN 61 HE22 GLN 61 12.512 -21.492 -3.661 101 H ALA 62 H ALA 62 10.482 -15.707 -8.750 102 HA ALA 62 HA ALA 62 12.552 -13.733 -8.141 103 HB1 ALA 62 HB1 ALA 62 12.558 -15.258 -10.740 104 HB2 ALA 62 HB2 ALA 62 13.738 -14.067 -10.186 105 HB3 ALA 62 HB3 ALA 62 13.614 -15.629 -9.375 106 H GLU 63 H GLU 63 12.672 -12.191 -10.215 107 HA GLU 63 HA GLU 63 10.139 -10.929 -10.352 108 HB2 GLU 63 HB2 GLU 63 12.823 -10.461 -11.558 109 HB3 GLU 63 HB3 GLU 63 11.440 -9.657 -12.291 110 HG2 GLU 63 HG2 GLU 63 10.883 -8.675 -10.105 111 HG3 GLU 63 HG3 GLU 63 12.319 -9.434 -9.421 112 H ALA 64 H ALA 64 8.497 -11.238 -11.704 113 HA ALA 64 HA ALA 64 8.916 -12.984 -14.028 114 HB1 ALA 64 HB1 ALA 64 6.592 -13.518 -13.927 115 HB2 ALA 64 HB2 ALA 64 7.245 -13.655 -12.295 116 HB3 ALA 64 HB3 ALA 64 6.293 -12.242 -12.747 117 H LYS 65 H LYS 65 9.187 -11.950 -15.887 118 HA LYS 65 HA LYS 65 8.533 -9.247 -16.334 119 HB2 LYS 65 HB2 LYS 65 9.284 -11.517 -18.162 120 HB3 LYS 65 HB3 LYS 65 8.888 -9.925 -18.797 121 HG2 LYS 65 HG2 LYS 65 10.702 -8.932 -17.551 122 HG3 LYS 65 HG3 LYS 65 11.061 -10.484 -16.787 123 HD2 LYS 65 HD2 LYS 65 11.188 -9.967 -19.758 124 HD3 LYS 65 HD3 LYS 65 12.580 -9.922 -18.673 125 HE2 LYS 65 HE2 LYS 65 12.811 -12.097 -19.118 126 HE3 LYS 65 HE3 LYS 65 11.402 -12.341 -18.086 127 HZ1 LYS 65 HZ1 LYS 65 11.655 -12.638 -20.926 128 HZ2 LYS 65 HZ2 LYS 65 10.329 -11.682 -20.493 129 HZ3 LYS 65 HZ3 LYS 65 10.478 -13.251 -19.878 130 H CYS 66 H CYS 66 7.155 -12.059 -18.045 131 HA CYS 66 HA CYS 66 4.605 -10.592 -18.185 132 HB2 CYS 66 HB2 CYS 66 6.113 -12.163 -20.186 133 HB3 CYS 66 HB3 CYS 66 4.372 -12.419 -20.169 134 HG CYS 66 HG CYS 66 6.130 -9.710 -21.121 135 HA PRO 67 HA PRO 67 3.940 -14.421 -15.630 136 HB2 PRO 67 HB2 PRO 67 2.520 -13.166 -13.686 137 HB3 PRO 67 HB3 PRO 67 4.285 -13.275 -13.668 138 HG2 PRO 67 HG2 PRO 67 2.535 -11.005 -14.534 139 HG3 PRO 67 HG3 PRO 67 4.019 -10.967 -13.565 140 HD2 PRO 67 HD2 PRO 67 3.987 -10.364 -16.205 141 HD3 PRO 67 HD3 PRO 67 5.382 -11.128 -15.417 142 H LYS 68 H LYS 68 2.069 -15.631 -15.520 143 HA LYS 68 HA LYS 68 -0.389 -14.382 -16.553 144 HB2 LYS 68 HB2 LYS 68 0.564 -17.159 -17.266 145 HB3 LYS 68 HB3 LYS 68 -0.856 -16.335 -17.897 146 HG2 LYS 68 HG2 LYS 68 1.999 -15.488 -18.347 147 HG3 LYS 68 HG3 LYS 68 0.986 -16.356 -19.502 148 HD2 LYS 68 HD2 LYS 68 -0.461 -14.513 -19.771 149 HD3 LYS 68 HD3 LYS 68 0.185 -13.698 -18.343 150 HE2 LYS 68 HE2 LYS 68 0.964 -12.710 -20.478 151 HE3 LYS 68 HE3 LYS 68 2.277 -13.294 -19.457 152 HZ1 LYS 68 HZ1 LYS 68 1.399 -15.342 -21.203 153 HZ2 LYS 68 HZ2 LYS 68 2.936 -14.650 -21.062 154 HZ3 LYS 68 HZ3 LYS 68 1.788 -13.958 -22.094 155 H LEU 69 H LEU 69 -2.367 -15.470 -15.945 156 HA LEU 69 HA LEU 69 -2.172 -16.593 -13.265 157 HB2 LEU 69 HB2 LEU 69 -4.310 -15.319 -14.887 158 HB3 LEU 69 HB3 LEU 69 -4.793 -16.440 -13.617 159 HG LEU 69 HG LEU 69 -3.009 -14.077 -13.086 160 HD11 LEU 69 HD11 LEU 69 -6.003 -14.168 -12.769 161 HD12 LEU 69 HD12 LEU 69 -5.167 -13.349 -14.087 162 HD13 LEU 69 HD13 LEU 69 -4.929 -12.812 -12.425 163 HD21 LEU 69 HD21 LEU 69 -4.226 -14.464 -10.805 164 HD22 LEU 69 HD22 LEU 69 -2.849 -15.467 -11.262 165 HD23 LEU 69 HD23 LEU 69 -4.492 -16.084 -11.450 166 H LEU 70 H LEU 70 -1.702 -18.722 -13.342 167 HA LEU 70 HA LEU 70 -2.321 -20.571 -15.273 168 HB2 LEU 70 HB2 LEU 70 -1.570 -20.646 -12.454 169 HB3 LEU 70 HB3 LEU 70 -2.506 -22.050 -12.965 170 HG LEU 70 HG LEU 70 -0.856 -22.764 -14.446 171 HD11 LEU 70 HD11 LEU 70 -0.394 -20.850 -15.720 172 HD12 LEU 70 HD12 LEU 70 1.141 -21.275 -14.965 173 HD13 LEU 70 HD13 LEU 70 0.179 -19.947 -14.317 174 HD21 LEU 70 HD21 LEU 70 -0.248 -22.864 -11.988 175 HD22 LEU 70 HD22 LEU 70 0.805 -21.482 -12.290 176 HD23 LEU 70 HD23 LEU 70 1.087 -23.007 -13.131 177 HA PRO 71 HA PRO 71 -6.588 -21.571 -15.083 178 HB2 PRO 71 HB2 PRO 71 -6.604 -24.282 -15.212 179 HB3 PRO 71 HB3 PRO 71 -6.185 -23.258 -16.591 180 HG2 PRO 71 HG2 PRO 71 -4.382 -24.705 -14.687 181 HG3 PRO 71 HG3 PRO 71 -4.261 -24.558 -16.450 182 HD2 PRO 71 HD2 PRO 71 -2.780 -23.052 -14.757 183 HD3 PRO 71 HD3 PRO 71 -3.329 -22.453 -16.336 184 H CYS 72 H CYS 72 -4.521 -22.501 -12.572 185 HA CYS 72 HA CYS 72 -6.762 -23.465 -10.926 186 HB2 CYS 72 HB2 CYS 72 -3.778 -23.845 -10.683 187 HB3 CYS 72 HB3 CYS 72 -4.890 -24.228 -9.372 188 H LEU 73 H LEU 73 -5.775 -20.634 -11.644 189 HA LEU 73 HA LEU 73 -5.878 -18.606 -10.607 190 HB2 LEU 73 HB2 LEU 73 -6.289 -19.956 -7.966 191 HB3 LEU 73 HB3 LEU 73 -6.871 -18.384 -8.510 192 HG LEU 73 HG LEU 73 -7.934 -21.103 -9.251 193 HD11 LEU 73 HD11 LEU 73 -8.824 -18.847 -7.542 194 HD12 LEU 73 HD12 LEU 73 -9.006 -20.586 -7.313 195 HD13 LEU 73 HD13 LEU 73 -10.052 -19.732 -8.447 196 HD21 LEU 73 HD21 LEU 73 -8.126 -18.520 -10.657 197 HD22 LEU 73 HD22 LEU 73 -9.647 -19.379 -10.416 198 HD23 LEU 73 HD23 LEU 73 -8.315 -20.164 -11.266 199 H HIS 74 H HIS 74 -3.467 -20.424 -10.689 200 HA HIS 74 HA HIS 74 -1.917 -19.456 -8.416 201 HB2 HIS 74 HB2 HIS 74 -1.038 -21.252 -10.684 202 HB3 HIS 74 HB3 HIS 74 -0.174 -20.960 -9.178 203 HD1 HIS 74 HD1 HIS 74 -3.216 -21.212 -7.737 204 HD2 HIS 74 HD2 HIS 74 -0.982 -24.016 -9.837 205 HE1 HIS 74 HE1 HIS 74 -4.074 -23.453 -6.987 206 H THR 75 H THR 75 0.294 -18.590 -8.859 207 HA THR 75 HA THR 75 0.204 -16.747 -11.156 208 HB THR 75 HB THR 75 1.827 -16.282 -8.662 209 HG1 THR 75 HG1 THR 75 -0.072 -14.793 -8.230 210 HG21 THR 75 HG21 THR 75 2.509 -14.484 -9.783 211 HG22 THR 75 HG22 THR 75 0.841 -13.914 -9.863 212 HG23 THR 75 HG23 THR 75 1.490 -14.929 -11.151 213 H LEU 76 H LEU 76 1.755 -16.899 -12.642 214 HA LEU 76 HA LEU 76 4.325 -18.107 -11.921 215 HB2 LEU 76 HB2 LEU 76 2.309 -19.260 -13.646 216 HB3 LEU 76 HB3 LEU 76 3.825 -19.007 -14.507 217 HG LEU 76 HG LEU 76 4.976 -20.321 -12.728 218 HD11 LEU 76 HD11 LEU 76 3.905 -20.688 -10.821 219 HD12 LEU 76 HD12 LEU 76 2.847 -21.801 -11.688 220 HD13 LEU 76 HD13 LEU 76 2.384 -20.110 -11.501 221 HD21 LEU 76 HD21 LEU 76 3.568 -21.182 -14.923 222 HD22 LEU 76 HD22 LEU 76 2.975 -22.235 -13.639 223 HD23 LEU 76 HD23 LEU 76 4.703 -22.150 -13.982 224 H CYS 77 H CYS 77 5.892 -17.888 -13.851 225 HA CYS 77 HA CYS 77 5.659 -15.134 -14.833 226 HB2 CYS 77 HB2 CYS 77 8.082 -15.220 -15.151 227 HB3 CYS 77 HB3 CYS 77 7.659 -15.671 -13.503 228 H SER 78 H SER 78 6.458 -14.657 -17.009 229 HA SER 78 HA SER 78 5.156 -16.045 -18.994 230 HB2 SER 78 HB2 SER 78 5.834 -14.229 -20.115 231 HB3 SER 78 HB3 SER 78 7.014 -13.864 -18.857 232 HG SER 78 HG SER 78 7.830 -14.266 -21.070 233 H GLY 79 H GLY 79 8.638 -16.236 -18.235 234 HA2 GLY 79 HA2 GLY 79 9.361 -18.171 -20.079 235 HA3 GLY 79 HA3 GLY 79 10.145 -17.946 -18.521 236 H CYS 80 H CYS 80 7.670 -18.562 -17.044 237 HA CYS 80 HA CYS 80 8.040 -21.393 -16.882 238 HB2 CYS 80 HB2 CYS 80 6.599 -19.318 -15.371 239 HB3 CYS 80 HB3 CYS 80 5.818 -20.896 -15.367 240 H LEU 81 H LEU 81 5.661 -19.264 -18.312 241 HA LEU 81 HA LEU 81 3.654 -21.213 -18.762 242 HB2 LEU 81 HB2 LEU 81 4.202 -18.451 -19.597 243 HB3 LEU 81 HB3 LEU 81 3.250 -19.396 -20.741 244 HG LEU 81 HG LEU 81 1.793 -18.120 -19.297 245 HD11 LEU 81 HD11 LEU 81 1.786 -21.010 -19.439 246 HD12 LEU 81 HD12 LEU 81 0.455 -19.867 -19.610 247 HD13 LEU 81 HD13 LEU 81 0.942 -20.420 -18.008 248 HD21 LEU 81 HD21 LEU 81 3.065 -17.740 -17.358 249 HD22 LEU 81 HD22 LEU 81 3.332 -19.463 -17.092 250 HD23 LEU 81 HD23 LEU 81 1.730 -18.768 -16.838 251 H GLU 82 H GLU 82 6.314 -19.979 -20.750 252 HA GLU 82 HA GLU 82 5.645 -21.651 -22.989 253 HB2 GLU 82 HB2 GLU 82 6.992 -19.364 -22.852 254 HB3 GLU 82 HB3 GLU 82 8.360 -20.456 -22.694 255 HG2 GLU 82 HG2 GLU 82 7.545 -21.591 -24.791 256 HG3 GLU 82 HG3 GLU 82 6.422 -20.245 -24.977 257 H ALA 83 H ALA 83 8.131 -21.671 -20.460 258 HA ALA 83 HA ALA 83 9.442 -24.015 -21.375 259 HB1 ALA 83 HB1 ALA 83 9.419 -22.837 -18.599 260 HB2 ALA 83 HB2 ALA 83 10.588 -23.994 -19.239 261 HB3 ALA 83 HB3 ALA 83 10.510 -22.361 -19.901 262 H SER 84 H SER 84 7.178 -23.483 -18.671 263 HA SER 84 HA SER 84 6.873 -26.332 -18.274 264 HB2 SER 84 HB2 SER 84 5.044 -24.410 -16.932 265 HB3 SER 84 HB3 SER 84 5.886 -25.812 -16.273 266 HG SER 84 HG SER 84 7.805 -24.580 -16.299 267 H GLY 85 H GLY 85 5.888 -24.681 -20.719 268 HA2 GLY 85 HA2 GLY 85 3.997 -24.554 -22.052 269 HA3 GLY 85 HA3 GLY 85 3.925 -26.268 -21.673 270 H MET 86 H MET 86 3.354 -23.424 -19.619 271 HA MET 86 HA MET 86 1.524 -22.735 -18.453 272 HB2 MET 86 HB2 MET 86 -0.174 -24.577 -20.122 273 HB3 MET 86 HB3 MET 86 -0.638 -23.069 -19.344 274 HG2 MET 86 HG2 MET 86 0.711 -21.811 -20.908 275 HG3 MET 86 HG3 MET 86 1.271 -23.305 -21.656 276 HE1 MET 86 HE1 MET 86 -1.168 -20.460 -21.869 277 HE2 MET 86 HE2 MET 86 -0.045 -20.806 -23.183 278 HE3 MET 86 HE3 MET 86 -1.784 -20.904 -23.461 279 H GLN 87 H GLN 87 3.074 -24.925 -17.531 280 HA GLN 87 HA GLN 87 1.460 -27.063 -16.612 281 HB2 GLN 87 HB2 GLN 87 4.139 -26.588 -16.691 282 HB3 GLN 87 HB3 GLN 87 3.809 -26.355 -14.979 283 HG2 GLN 87 HG2 GLN 87 4.100 -28.560 -14.833 284 HG3 GLN 87 HG3 GLN 87 2.462 -28.660 -15.477 285 HE21 GLN 87 HE21 GLN 87 5.712 -28.086 -16.794 286 HE22 GLN 87 HE22 GLN 87 5.582 -29.243 -18.071 287 H CYS 88 H CYS 88 2.027 -27.272 -13.906 288 HA CYS 88 HA CYS 88 0.941 -24.911 -12.598 289 HB2 CYS 88 HB2 CYS 88 -0.762 -26.994 -13.399 290 HB3 CYS 88 HB3 CYS 88 -0.522 -27.227 -11.671 291 HA PRO 89 HA PRO 89 4.103 -27.309 -10.162 292 HB2 PRO 89 HB2 PRO 89 5.681 -25.164 -9.635 293 HB3 PRO 89 HB3 PRO 89 5.847 -26.143 -11.097 294 HG2 PRO 89 HG2 PRO 89 4.462 -23.515 -10.726 295 HG3 PRO 89 HG3 PRO 89 5.516 -24.048 -12.049 296 HD2 PRO 89 HD2 PRO 89 2.816 -24.029 -12.255 297 HD3 PRO 89 HD3 PRO 89 3.829 -25.226 -13.087 298 H ILE 90 H ILE 90 2.757 -24.070 -9.582 299 HA ILE 90 HA ILE 90 3.121 -23.864 -6.860 300 HB ILE 90 HB ILE 90 0.637 -22.968 -8.321 301 HG12 ILE 90 HG12 ILE 90 2.537 -22.154 -9.550 302 HG13 ILE 90 HG13 ILE 90 1.892 -20.815 -8.608 303 HG21 ILE 90 HG21 ILE 90 1.578 -21.165 -6.318 304 HG22 ILE 90 HG22 ILE 90 0.036 -22.013 -6.412 305 HG23 ILE 90 HG23 ILE 90 1.415 -22.776 -5.621 306 HD11 ILE 90 HD11 ILE 90 4.374 -22.417 -8.095 307 HD12 ILE 90 HD12 ILE 90 4.229 -20.690 -8.419 308 HD13 ILE 90 HD13 ILE 90 3.658 -21.351 -6.886 309 H CYS 91 H CYS 91 0.904 -25.882 -8.611 310 HA CYS 91 HA CYS 91 -1.054 -26.420 -6.749 311 HB2 CYS 91 HB2 CYS 91 0.228 -28.044 -8.908 312 HB3 CYS 91 HB3 CYS 91 -0.897 -28.831 -7.805 313 H GLN 92 H GLN 92 2.286 -27.311 -6.695 314 HA GLN 92 HA GLN 92 2.160 -29.502 -4.931 315 HB2 GLN 92 HB2 GLN 92 4.290 -27.547 -5.703 316 HB3 GLN 92 HB3 GLN 92 4.572 -28.641 -4.356 317 HG2 GLN 92 HG2 GLN 92 5.233 -30.161 -5.814 318 HG3 GLN 92 HG3 GLN 92 3.575 -30.245 -6.405 319 HE21 GLN 92 HE21 GLN 92 6.678 -28.660 -6.847 320 HE22 GLN 92 HE22 GLN 92 6.442 -28.250 -8.509 321 H ALA 93 H ALA 93 2.357 -26.024 -4.378 322 HA ALA 93 HA ALA 93 1.968 -26.527 -1.499 323 HB1 ALA 93 HB1 ALA 93 2.890 -24.103 -1.332 324 HB2 ALA 93 HB2 ALA 93 4.007 -25.447 -1.573 325 HB3 ALA 93 HB3 ALA 93 3.539 -24.433 -2.938 326 HA PRO 94 HA PRO 94 -2.016 -24.683 -2.334 327 HB2 PRO 94 HB2 PRO 94 -2.961 -24.956 0.196 328 HB3 PRO 94 HB3 PRO 94 -2.889 -26.297 -0.953 329 HG2 PRO 94 HG2 PRO 94 -1.005 -25.601 1.267 330 HG3 PRO 94 HG3 PRO 94 -1.636 -27.189 0.791 331 HD2 PRO 94 HD2 PRO 94 0.839 -26.336 0.097 332 HD3 PRO 94 HD3 PRO 94 -0.126 -27.410 -0.937 333 H TRP 95 H TRP 95 -0.369 -22.713 -2.455 334 HA TRP 95 HA TRP 95 -0.112 -21.007 -0.229 335 HB2 TRP 95 HB2 TRP 95 0.822 -19.466 -1.692 336 HB3 TRP 95 HB3 TRP 95 1.097 -20.982 -2.544 337 HD1 TRP 95 HD1 TRP 95 -1.168 -21.546 -4.314 338 HE1 TRP 95 HE1 TRP 95 -2.130 -19.902 -6.047 339 HE3 TRP 95 HE3 TRP 95 0.573 -17.166 -2.333 340 HZ2 TRP 95 HZ2 TRP 95 -2.148 -17.118 -6.512 341 HZ3 TRP 95 HZ3 TRP 95 0.040 -15.057 -3.483 342 HH2 TRP 95 HH2 TRP 95 -1.293 -15.036 -5.530 343 HA PRO 96 HA PRO 96 -4.012 -19.033 0.155 344 HB2 PRO 96 HB2 PRO 96 -3.289 -16.497 0.801 345 HB3 PRO 96 HB3 PRO 96 -3.122 -17.858 1.918 346 HG2 PRO 96 HG2 PRO 96 -1.053 -16.566 0.183 347 HG3 PRO 96 HG3 PRO 96 -0.924 -17.103 1.868 348 HD2 PRO 96 HD2 PRO 96 0.044 -18.557 -0.201 349 HD3 PRO 96 HD3 PRO 96 -0.599 -19.306 1.274 350 H LEU 97 H LEU 97 -5.260 -18.692 -1.575 351 HA LEU 97 HA LEU 97 -4.429 -17.403 -3.940 352 HB2 LEU 97 HB2 LEU 97 -7.163 -18.077 -2.878 353 HB3 LEU 97 HB3 LEU 97 -6.889 -17.391 -4.478 354 HG LEU 97 HG LEU 97 -5.241 -19.563 -4.525 355 HD11 LEU 97 HD11 LEU 97 -7.701 -20.734 -3.359 356 HD12 LEU 97 HD12 LEU 97 -6.508 -20.068 -2.245 357 HD13 LEU 97 HD13 LEU 97 -6.046 -21.345 -3.370 358 HD21 LEU 97 HD21 LEU 97 -6.784 -20.482 -6.057 359 HD22 LEU 97 HD22 LEU 97 -6.971 -18.732 -6.176 360 HD23 LEU 97 HD23 LEU 97 -8.151 -19.687 -5.277 361 H GLY 98 H GLY 98 -5.437 -15.457 -4.890 362 HA2 GLY 98 HA2 GLY 98 -6.604 -13.503 -3.131 363 HA3 GLY 98 HA3 GLY 98 -4.926 -13.154 -3.521 364 H ALA 99 H ALA 99 -6.529 -11.247 -4.266 365 HA ALA 99 HA ALA 99 -7.367 -11.721 -7.033 366 HB1 ALA 99 HB1 ALA 99 -9.048 -10.363 -6.543 367 HB2 ALA 99 HB2 ALA 99 -8.400 -10.147 -4.916 368 HB3 ALA 99 HB3 ALA 99 -7.911 -9.056 -6.212 369 H ASP 100 H ASP 100 -4.535 -11.339 -5.956 370 HA ASP 100 HA ASP 100 -3.502 -8.877 -6.768 371 HB2 ASP 100 HB2 ASP 100 -2.129 -10.333 -5.461 372 HB3 ASP 100 HB3 ASP 100 -2.244 -11.619 -6.657 373 H THR 101 H THR 101 -4.194 -8.108 -8.708 374 HA THR 101 HA THR 101 -4.519 -9.582 -11.062 375 HB THR 101 HB THR 101 -4.008 -7.156 -12.088 376 HG1 THR 101 HG1 THR 101 -4.817 -5.666 -10.376 377 HG21 THR 101 HG21 THR 101 -6.342 -8.510 -11.007 378 HG22 THR 101 HG22 THR 101 -6.170 -7.572 -12.490 379 HG23 THR 101 HG23 THR 101 -6.509 -6.755 -10.965 380 HA PRO 102 HA PRO 102 -0.515 -10.152 -12.763 381 HB2 PRO 102 HB2 PRO 102 -0.921 -9.662 -15.403 382 HB3 PRO 102 HB3 PRO 102 -1.527 -11.110 -14.590 383 HG2 PRO 102 HG2 PRO 102 -2.971 -8.580 -15.280 384 HG3 PRO 102 HG3 PRO 102 -3.518 -10.259 -15.442 385 HD2 PRO 102 HD2 PRO 102 -4.283 -8.668 -13.388 386 HD3 PRO 102 HD3 PRO 102 -4.078 -10.423 -13.212 387 H ALA 103 H ALA 103 1.307 -9.118 -13.774 388 HA ALA 103 HA ALA 103 1.623 -6.415 -13.067 389 HB1 ALA 103 HB1 ALA 103 3.282 -8.193 -14.848 390 HB2 ALA 103 HB2 ALA 103 3.768 -6.577 -14.334 391 HB3 ALA 103 HB3 ALA 103 3.535 -7.849 -13.136 392 H LEU 104 H LEU 104 1.941 -4.564 -14.379 393 HA LEU 104 HA LEU 104 0.030 -4.069 -16.298 394 HB2 LEU 104 HB2 LEU 104 2.653 -2.777 -15.669 395 HB3 LEU 104 HB3 LEU 104 1.692 -2.210 -17.032 396 HG LEU 104 HG LEU 104 1.304 -0.813 -15.099 397 HD11 LEU 104 HD11 LEU 104 -0.590 -1.696 -16.701 398 HD12 LEU 104 HD12 LEU 104 -0.966 -0.680 -15.310 399 HD13 LEU 104 HD13 LEU 104 -1.191 -2.427 -15.212 400 HD21 LEU 104 HD21 LEU 104 1.819 -2.824 -13.518 401 HD22 LEU 104 HD22 LEU 104 0.077 -3.089 -13.607 402 HD23 LEU 104 HD23 LEU 104 0.707 -1.555 -13.003 Start of MODEL 17 1 H1 GLU 49 H GLU 49 7.768 4.554 0.653 2 HA GLU 49 HA GLU 49 5.746 5.936 -0.869 3 HB2 GLU 49 HB2 GLU 49 7.654 6.872 0.719 4 HB3 GLU 49 HB3 GLU 49 8.573 6.880 -0.779 5 HG2 GLU 49 HG2 GLU 49 6.949 8.326 -1.818 6 HG3 GLU 49 HG3 GLU 49 5.923 8.249 -0.388 7 H GLU 50 H GLU 50 6.883 3.383 -1.886 8 HA GLU 50 HA GLU 50 8.092 4.340 -4.390 9 HB2 GLU 50 HB2 GLU 50 9.266 2.585 -2.921 10 HB3 GLU 50 HB3 GLU 50 8.023 1.473 -3.477 11 HG2 GLU 50 HG2 GLU 50 10.050 1.257 -4.793 12 HG3 GLU 50 HG3 GLU 50 8.708 1.830 -5.781 13 H GLU 51 H GLU 51 7.423 3.274 -6.385 14 HA GLU 51 HA GLU 51 4.728 2.118 -6.300 15 HB2 GLU 51 HB2 GLU 51 3.874 3.575 -7.961 16 HB3 GLU 51 HB3 GLU 51 4.655 4.607 -6.772 17 HG2 GLU 51 HG2 GLU 51 6.708 4.431 -8.347 18 HG3 GLU 51 HG3 GLU 51 5.517 3.935 -9.547 19 H PHE 52 H PHE 52 4.418 0.471 -7.685 20 HA PHE 52 HA PHE 52 5.693 0.134 -10.161 21 HB2 PHE 52 HB2 PHE 52 7.197 -1.770 -9.587 22 HB3 PHE 52 HB3 PHE 52 7.730 -0.234 -8.912 23 HD1 PHE 52 HD1 PHE 52 7.385 0.227 -6.494 24 HD2 PHE 52 HD2 PHE 52 6.648 -3.600 -8.204 25 HE1 PHE 52 HE1 PHE 52 7.459 -0.784 -4.252 26 HE2 PHE 52 HE2 PHE 52 6.719 -4.618 -5.965 27 HZ PHE 52 HZ PHE 52 7.126 -3.210 -3.986 28 H GLN 53 H GLN 53 4.586 -1.328 -11.323 29 HA GLN 53 HA GLN 53 2.676 -3.027 -9.873 30 HB2 GLN 53 HB2 GLN 53 1.469 -3.128 -12.062 31 HB3 GLN 53 HB3 GLN 53 1.575 -1.515 -11.370 32 HG2 GLN 53 HG2 GLN 53 3.697 -2.302 -13.271 33 HG3 GLN 53 HG3 GLN 53 2.084 -2.031 -13.928 34 HE21 GLN 53 HE21 GLN 53 3.819 -0.385 -14.895 35 HE22 GLN 53 HE22 GLN 53 3.749 1.181 -14.169 36 H PHE 54 H PHE 54 4.699 -4.396 -9.547 37 HA PHE 54 HA PHE 54 4.929 -6.279 -11.802 38 HB2 PHE 54 HB2 PHE 54 7.038 -5.001 -10.149 39 HB3 PHE 54 HB3 PHE 54 7.267 -6.701 -10.543 40 HD1 PHE 54 HD2 PHE 54 7.576 -7.413 -12.849 41 HD2 PHE 54 HD1 PHE 54 7.150 -3.300 -11.840 42 HE1 PHE 54 HE2 PHE 54 8.441 -6.783 -15.065 43 HE2 PHE 54 HE1 PHE 54 8.013 -2.664 -14.054 44 HZ PHE 54 HZ PHE 54 8.661 -4.406 -15.670 45 H LEU 55 H LEU 55 5.251 -8.492 -11.247 46 HA LEU 55 HA LEU 55 4.296 -9.149 -8.539 47 HB2 LEU 55 HB2 LEU 55 4.059 -10.911 -10.962 48 HB3 LEU 55 HB3 LEU 55 3.225 -11.068 -9.417 49 HG LEU 55 HG LEU 55 2.737 -8.683 -11.161 50 HD11 LEU 55 HD11 LEU 55 0.671 -10.196 -11.848 51 HD12 LEU 55 HD12 LEU 55 1.861 -11.477 -11.623 52 HD13 LEU 55 HD13 LEU 55 2.171 -10.179 -12.776 53 HD21 LEU 55 HD21 LEU 55 1.929 -8.882 -8.769 54 HD22 LEU 55 HD22 LEU 55 0.869 -10.173 -9.335 55 HD23 LEU 55 HD23 LEU 55 0.697 -8.541 -9.984 56 H ARG 56 H ARG 56 4.805 -11.842 -8.501 57 HA ARG 56 HA ARG 56 7.612 -12.257 -9.128 58 HB2 ARG 56 HB2 ARG 56 7.522 -11.130 -6.879 59 HB3 ARG 56 HB3 ARG 56 6.640 -12.530 -6.283 60 HG2 ARG 56 HG2 ARG 56 9.069 -13.312 -7.636 61 HG3 ARG 56 HG3 ARG 56 9.388 -12.182 -6.319 62 HD2 ARG 56 HD2 ARG 56 7.833 -14.759 -6.126 63 HD3 ARG 56 HD3 ARG 56 9.465 -14.478 -5.521 64 HE ARG 56 HE ARG 56 7.013 -13.743 -4.253 65 HH11 ARG 56 HH11 ARG 56 10.361 -12.870 -4.629 66 HH12 ARG 56 HH12 ARG 56 10.453 -12.049 -3.105 67 HH21 ARG 56 HH21 ARG 56 7.121 -12.665 -2.247 68 HH22 ARG 56 HH22 ARG 56 8.609 -11.934 -1.750 69 H CYS 57 H CYS 57 7.666 -14.185 -10.058 70 HA CYS 57 HA CYS 57 5.670 -16.067 -10.134 71 HB2 CYS 57 HB2 CYS 57 7.811 -15.942 -11.529 72 HB3 CYS 57 HB3 CYS 57 8.587 -16.824 -10.219 73 H GLN 58 H GLN 58 4.809 -17.406 -8.699 74 HA GLN 58 HA GLN 58 5.966 -17.693 -6.082 75 HB2 GLN 58 HB2 GLN 58 3.428 -18.555 -7.401 76 HB3 GLN 58 HB3 GLN 58 3.921 -19.355 -5.916 77 HG2 GLN 58 HG2 GLN 58 3.656 -16.374 -6.177 78 HG3 GLN 58 HG3 GLN 58 2.348 -17.427 -5.640 79 HE21 GLN 58 HE21 GLN 58 5.395 -16.000 -4.837 80 HE22 GLN 58 HE22 GLN 58 5.396 -16.436 -3.164 81 H GLN 59 H GLN 59 6.599 -19.180 -8.940 82 HA GLN 59 HA GLN 59 7.280 -21.733 -7.640 83 HB2 GLN 59 HB2 GLN 59 6.716 -22.875 -9.519 84 HB3 GLN 59 HB3 GLN 59 5.694 -21.470 -9.791 85 HG2 GLN 59 HG2 GLN 59 6.676 -21.327 -11.775 86 HG3 GLN 59 HG3 GLN 59 8.078 -20.705 -10.906 87 HE21 GLN 59 HE21 GLN 59 9.889 -21.934 -10.740 88 HE22 GLN 59 HE22 GLN 59 10.085 -23.466 -11.513 89 H CYS 60 H CYS 60 8.485 -18.944 -9.218 90 HA CYS 60 HA CYS 60 11.149 -20.176 -9.462 91 HB2 CYS 60 HB2 CYS 60 9.795 -17.965 -10.970 92 HB3 CYS 60 HB3 CYS 60 11.553 -18.018 -10.885 93 H GLN 61 H GLN 61 9.280 -17.930 -7.731 94 HA GLN 61 HA GLN 61 9.744 -16.385 -6.125 95 HB2 GLN 61 HB2 GLN 61 12.388 -17.796 -5.802 96 HB3 GLN 61 HB3 GLN 61 11.466 -16.932 -4.580 97 HG2 GLN 61 HG2 GLN 61 9.726 -18.652 -4.687 98 HG3 GLN 61 HG3 GLN 61 10.677 -19.525 -5.888 99 HE21 GLN 61 HE21 GLN 61 11.821 -21.132 -5.113 100 HE22 GLN 61 HE22 GLN 61 12.456 -21.259 -3.512 101 H ALA 62 H ALA 62 10.637 -15.875 -8.898 102 HA ALA 62 HA ALA 62 12.624 -13.794 -8.277 103 HB1 ALA 62 HB1 ALA 62 12.587 -15.297 -10.882 104 HB2 ALA 62 HB2 ALA 62 13.821 -14.191 -10.277 105 HB3 ALA 62 HB3 ALA 62 13.599 -15.766 -9.516 106 H GLU 63 H GLU 63 12.709 -12.155 -10.166 107 HA GLU 63 HA GLU 63 10.220 -10.892 -10.346 108 HB2 GLU 63 HB2 GLU 63 12.766 -10.538 -11.923 109 HB3 GLU 63 HB3 GLU 63 11.357 -9.516 -12.164 110 HG2 GLU 63 HG2 GLU 63 11.505 -8.619 -9.997 111 HG3 GLU 63 HG3 GLU 63 12.640 -9.861 -9.475 112 H ALA 64 H ALA 64 8.618 -10.878 -11.838 113 HA ALA 64 HA ALA 64 8.844 -12.826 -14.035 114 HB1 ALA 64 HB1 ALA 64 7.094 -13.098 -12.155 115 HB2 ALA 64 HB2 ALA 64 6.231 -11.805 -12.991 116 HB3 ALA 64 HB3 ALA 64 6.586 -13.315 -13.831 117 H LYS 65 H LYS 65 9.330 -11.809 -15.873 118 HA LYS 65 HA LYS 65 8.779 -9.097 -16.419 119 HB2 LYS 65 HB2 LYS 65 9.767 -11.427 -17.991 120 HB3 LYS 65 HB3 LYS 65 9.194 -10.023 -18.881 121 HG2 LYS 65 HG2 LYS 65 10.869 -8.653 -18.052 122 HG3 LYS 65 HG3 LYS 65 11.185 -9.707 -16.672 123 HD2 LYS 65 HD2 LYS 65 11.742 -10.461 -19.539 124 HD3 LYS 65 HD3 LYS 65 12.944 -9.766 -18.448 125 HE2 LYS 65 HE2 LYS 65 12.293 -11.714 -16.876 126 HE3 LYS 65 HE3 LYS 65 11.596 -12.440 -18.324 127 HZ1 LYS 65 HZ1 LYS 65 13.921 -13.118 -17.858 128 HZ2 LYS 65 HZ2 LYS 65 14.411 -11.522 -18.130 129 HZ3 LYS 65 HZ3 LYS 65 13.713 -12.417 -19.384 130 H CYS 66 H CYS 66 7.314 -12.053 -17.776 131 HA CYS 66 HA CYS 66 4.843 -10.517 -18.205 132 HB2 CYS 66 HB2 CYS 66 6.421 -12.103 -20.163 133 HB3 CYS 66 HB3 CYS 66 4.669 -12.241 -20.250 134 HG CYS 66 HG CYS 66 4.141 -9.794 -21.097 135 HA PRO 67 HA PRO 67 4.091 -14.416 -15.779 136 HB2 PRO 67 HB2 PRO 67 2.604 -13.216 -13.851 137 HB3 PRO 67 HB3 PRO 67 4.366 -13.329 -13.773 138 HG2 PRO 67 HG2 PRO 67 2.651 -11.032 -14.635 139 HG3 PRO 67 HG3 PRO 67 4.100 -11.025 -13.612 140 HD2 PRO 67 HD2 PRO 67 4.163 -10.343 -16.232 141 HD3 PRO 67 HD3 PRO 67 5.529 -11.134 -15.417 142 H LYS 68 H LYS 68 2.051 -15.478 -15.383 143 HA LYS 68 HA LYS 68 -0.276 -14.249 -16.681 144 HB2 LYS 68 HB2 LYS 68 0.647 -17.083 -17.193 145 HB3 LYS 68 HB3 LYS 68 -0.774 -16.308 -17.883 146 HG2 LYS 68 HG2 LYS 68 1.212 -14.592 -18.622 147 HG3 LYS 68 HG3 LYS 68 2.031 -16.155 -18.685 148 HD2 LYS 68 HD2 LYS 68 1.150 -16.106 -20.792 149 HD3 LYS 68 HD3 LYS 68 -0.197 -16.859 -19.935 150 HE2 LYS 68 HE2 LYS 68 -0.184 -13.910 -19.989 151 HE3 LYS 68 HE3 LYS 68 -0.446 -14.706 -21.540 152 HZ1 LYS 68 HZ1 LYS 68 -2.570 -14.592 -20.770 153 HZ2 LYS 68 HZ2 LYS 68 -2.126 -14.707 -19.142 154 HZ3 LYS 68 HZ3 LYS 68 -2.134 -16.090 -20.115 155 H LEU 69 H LEU 69 -2.315 -15.195 -16.071 156 HA LEU 69 HA LEU 69 -2.234 -16.257 -13.349 157 HB2 LEU 69 HB2 LEU 69 -3.580 -14.261 -13.765 158 HB3 LEU 69 HB3 LEU 69 -4.527 -15.144 -14.961 159 HG LEU 69 HG LEU 69 -5.339 -14.750 -12.443 160 HD11 LEU 69 HD11 LEU 69 -6.077 -16.356 -14.625 161 HD12 LEU 69 HD12 LEU 69 -7.076 -15.859 -13.258 162 HD13 LEU 69 HD13 LEU 69 -6.186 -17.380 -13.193 163 HD21 LEU 69 HD21 LEU 69 -4.177 -17.514 -12.291 164 HD22 LEU 69 HD22 LEU 69 -4.889 -16.541 -11.004 165 HD23 LEU 69 HD23 LEU 69 -3.315 -16.105 -11.672 166 H LEU 70 H LEU 70 -1.828 -18.428 -13.636 167 HA LEU 70 HA LEU 70 -2.855 -20.141 -15.529 168 HB2 LEU 70 HB2 LEU 70 -1.973 -20.512 -12.703 169 HB3 LEU 70 HB3 LEU 70 -2.702 -21.865 -13.565 170 HG LEU 70 HG LEU 70 -0.270 -20.370 -14.535 171 HD11 LEU 70 HD11 LEU 70 -0.488 -22.888 -12.899 172 HD12 LEU 70 HD12 LEU 70 0.340 -21.393 -12.469 173 HD13 LEU 70 HD13 LEU 70 0.965 -22.402 -13.772 174 HD21 LEU 70 HD21 LEU 70 -0.103 -21.947 -16.200 175 HD22 LEU 70 HD22 LEU 70 -1.853 -21.766 -16.076 176 HD23 LEU 70 HD23 LEU 70 -1.052 -23.143 -15.315 177 HA PRO 71 HA PRO 71 -7.116 -20.813 -14.727 178 HB2 PRO 71 HB2 PRO 71 -7.377 -23.495 -15.061 179 HB3 PRO 71 HB3 PRO 71 -7.096 -22.381 -16.405 180 HG2 PRO 71 HG2 PRO 71 -5.143 -24.115 -14.943 181 HG3 PRO 71 HG3 PRO 71 -5.289 -23.818 -16.685 182 HD2 PRO 71 HD2 PRO 71 -3.440 -22.576 -15.145 183 HD3 PRO 71 HD3 PRO 71 -4.178 -21.802 -16.562 184 H CYS 72 H CYS 72 -4.765 -22.079 -12.661 185 HA CYS 72 HA CYS 72 -6.763 -23.120 -10.776 186 HB2 CYS 72 HB2 CYS 72 -3.781 -23.499 -11.002 187 HB3 CYS 72 HB3 CYS 72 -4.669 -23.945 -9.549 188 H LEU 73 H LEU 73 -5.867 -20.236 -11.425 189 HA LEU 73 HA LEU 73 -5.783 -18.281 -10.260 190 HB2 LEU 73 HB2 LEU 73 -6.001 -19.830 -7.702 191 HB3 LEU 73 HB3 LEU 73 -6.537 -18.187 -8.043 192 HG LEU 73 HG LEU 73 -7.830 -20.775 -8.860 193 HD11 LEU 73 HD11 LEU 73 -8.195 -18.965 -6.727 194 HD12 LEU 73 HD12 LEU 73 -9.178 -20.367 -7.150 195 HD13 LEU 73 HD13 LEU 73 -9.575 -18.779 -7.810 196 HD21 LEU 73 HD21 LEU 73 -8.227 -19.698 -10.816 197 HD22 LEU 73 HD22 LEU 73 -7.993 -18.097 -10.113 198 HD23 LEU 73 HD23 LEU 73 -9.511 -18.960 -9.857 199 H HIS 74 H HIS 74 -3.428 -20.036 -10.757 200 HA HIS 74 HA HIS 74 -1.649 -19.304 -8.558 201 HB2 HIS 74 HB2 HIS 74 -1.060 -20.931 -11.040 202 HB3 HIS 74 HB3 HIS 74 -0.006 -20.743 -9.641 203 HD1 HIS 74 HD1 HIS 74 -2.758 -21.087 -7.773 204 HD2 HIS 74 HD2 HIS 74 -1.011 -23.738 -10.454 205 HE1 HIS 74 HE1 HIS 74 -3.558 -23.368 -7.082 206 H THR 75 H THR 75 0.519 -18.420 -9.140 207 HA THR 75 HA THR 75 0.318 -16.517 -11.383 208 HB THR 75 HB THR 75 1.815 -15.907 -8.842 209 HG1 THR 75 HG1 THR 75 -0.148 -14.600 -8.390 210 HG21 THR 75 HG21 THR 75 0.750 -13.608 -10.047 211 HG22 THR 75 HG22 THR 75 1.385 -14.591 -11.366 212 HG23 THR 75 HG23 THR 75 2.435 -14.125 -10.028 213 H LEU 76 H LEU 76 1.678 -17.268 -12.888 214 HA LEU 76 HA LEU 76 4.375 -18.087 -12.027 215 HB2 LEU 76 HB2 LEU 76 2.454 -19.308 -13.829 216 HB3 LEU 76 HB3 LEU 76 4.022 -19.058 -14.596 217 HG LEU 76 HG LEU 76 5.075 -20.331 -12.745 218 HD11 LEU 76 HD11 LEU 76 2.881 -21.763 -11.753 219 HD12 LEU 76 HD12 LEU 76 2.455 -20.058 -11.614 220 HD13 LEU 76 HD13 LEU 76 3.938 -20.659 -10.872 221 HD21 LEU 76 HD21 LEU 76 4.761 -22.302 -13.811 222 HD22 LEU 76 HD22 LEU 76 3.945 -21.265 -14.981 223 HD23 LEU 76 HD23 LEU 76 3.003 -22.163 -13.789 224 H CYS 77 H CYS 77 6.005 -17.843 -13.895 225 HA CYS 77 HA CYS 77 5.744 -15.107 -14.905 226 HB2 CYS 77 HB2 CYS 77 8.175 -15.192 -15.218 227 HB3 CYS 77 HB3 CYS 77 7.736 -15.612 -13.565 228 H SER 78 H SER 78 6.644 -14.641 -17.072 229 HA SER 78 HA SER 78 5.334 -15.984 -19.084 230 HB2 SER 78 HB2 SER 78 6.080 -14.136 -20.115 231 HB3 SER 78 HB3 SER 78 7.353 -13.914 -18.915 232 HG SER 78 HG SER 78 7.424 -15.350 -21.338 233 H GLY 79 H GLY 79 8.822 -16.251 -18.355 234 HA2 GLY 79 HA2 GLY 79 9.486 -18.235 -20.149 235 HA3 GLY 79 HA3 GLY 79 10.270 -18.021 -18.590 236 H CYS 80 H CYS 80 7.839 -18.565 -17.069 237 HA CYS 80 HA CYS 80 8.101 -21.398 -16.904 238 HB2 CYS 80 HB2 CYS 80 6.703 -19.272 -15.419 239 HB3 CYS 80 HB3 CYS 80 5.896 -20.836 -15.395 240 H LEU 81 H LEU 81 5.774 -19.215 -18.345 241 HA LEU 81 HA LEU 81 3.725 -21.122 -18.791 242 HB2 LEU 81 HB2 LEU 81 4.313 -18.367 -19.583 243 HB3 LEU 81 HB3 LEU 81 3.394 -19.276 -20.779 244 HG LEU 81 HG LEU 81 1.897 -18.021 -19.358 245 HD11 LEU 81 HD11 LEU 81 0.476 -19.701 -19.599 246 HD12 LEU 81 HD12 LEU 81 1.124 -20.460 -18.146 247 HD13 LEU 81 HD13 LEU 81 1.819 -20.838 -19.721 248 HD21 LEU 81 HD21 LEU 81 1.789 -18.903 -16.896 249 HD22 LEU 81 HD22 LEU 81 2.928 -17.633 -17.341 250 HD23 LEU 81 HD23 LEU 81 3.483 -19.300 -17.180 251 H GLU 82 H GLU 82 6.418 -19.952 -20.770 252 HA GLU 82 HA GLU 82 5.708 -21.641 -22.997 253 HB2 GLU 82 HB2 GLU 82 6.986 -19.342 -22.974 254 HB3 GLU 82 HB3 GLU 82 8.396 -20.360 -22.716 255 HG2 GLU 82 HG2 GLU 82 8.173 -21.405 -24.786 256 HG3 GLU 82 HG3 GLU 82 6.500 -20.884 -24.970 257 H ALA 83 H ALA 83 8.411 -21.525 -20.679 258 HA ALA 83 HA ALA 83 9.631 -23.915 -21.539 259 HB1 ALA 83 HB1 ALA 83 10.997 -23.755 -19.611 260 HB2 ALA 83 HB2 ALA 83 10.676 -22.102 -20.137 261 HB3 ALA 83 HB3 ALA 83 9.804 -22.775 -18.760 262 H SER 84 H SER 84 7.599 -23.294 -18.671 263 HA SER 84 HA SER 84 7.284 -26.142 -18.228 264 HB2 SER 84 HB2 SER 84 7.335 -23.973 -16.538 265 HB3 SER 84 HB3 SER 84 5.612 -24.340 -16.625 266 HG SER 84 HG SER 84 7.439 -25.577 -15.199 267 H GLY 85 H GLY 85 6.100 -24.567 -20.576 268 HA2 GLY 85 HA2 GLY 85 4.039 -24.306 -21.635 269 HA3 GLY 85 HA3 GLY 85 3.995 -26.030 -21.301 270 H MET 86 H MET 86 3.425 -22.973 -19.550 271 HA MET 86 HA MET 86 1.883 -22.438 -17.948 272 HB2 MET 86 HB2 MET 86 -0.412 -22.717 -18.640 273 HB3 MET 86 HB3 MET 86 0.566 -22.338 -20.053 274 HG2 MET 86 HG2 MET 86 0.444 -24.527 -20.867 275 HG3 MET 86 HG3 MET 86 -0.111 -25.162 -19.320 276 HE1 MET 86 HE1 MET 86 -2.630 -24.022 -22.799 277 HE2 MET 86 HE2 MET 86 -1.161 -23.079 -22.545 278 HE3 MET 86 HE3 MET 86 -1.070 -24.837 -22.670 279 H GLN 87 H GLN 87 3.362 -24.733 -17.278 280 HA GLN 87 HA GLN 87 1.822 -26.933 -16.480 281 HB2 GLN 87 HB2 GLN 87 4.517 -26.057 -16.199 282 HB3 GLN 87 HB3 GLN 87 3.939 -26.540 -14.610 283 HG2 GLN 87 HG2 GLN 87 5.022 -28.377 -15.802 284 HG3 GLN 87 HG3 GLN 87 3.327 -28.717 -15.452 285 HE21 GLN 87 HE21 GLN 87 5.713 -28.463 -17.847 286 HE22 GLN 87 HE22 GLN 87 4.702 -28.719 -19.223 287 H CYS 88 H CYS 88 2.250 -27.336 -13.800 288 HA CYS 88 HA CYS 88 0.892 -25.125 -12.434 289 HB2 CYS 88 HB2 CYS 88 -0.377 -27.532 -13.212 290 HB3 CYS 88 HB3 CYS 88 -0.154 -27.618 -11.467 291 HA PRO 89 HA PRO 89 4.440 -26.942 -10.021 292 HB2 PRO 89 HB2 PRO 89 5.636 -24.558 -9.512 293 HB3 PRO 89 HB3 PRO 89 5.957 -25.501 -10.973 294 HG2 PRO 89 HG2 PRO 89 4.150 -23.144 -10.600 295 HG3 PRO 89 HG3 PRO 89 5.270 -23.496 -11.928 296 HD2 PRO 89 HD2 PRO 89 2.604 -23.935 -12.115 297 HD3 PRO 89 HD3 PRO 89 3.799 -24.947 -12.951 298 H ILE 90 H ILE 90 2.570 -23.974 -9.443 299 HA ILE 90 HA ILE 90 2.903 -23.957 -6.635 300 HB ILE 90 HB ILE 90 0.534 -22.789 -8.080 301 HG12 ILE 90 HG12 ILE 90 2.466 -22.076 -9.333 302 HG13 ILE 90 HG13 ILE 90 1.934 -20.730 -8.331 303 HG21 ILE 90 HG21 ILE 90 1.289 -22.816 -5.409 304 HG22 ILE 90 HG22 ILE 90 1.757 -21.217 -5.986 305 HG23 ILE 90 HG23 ILE 90 0.090 -21.763 -6.157 306 HD11 ILE 90 HD11 ILE 90 4.288 -22.539 -7.870 307 HD12 ILE 90 HD12 ILE 90 4.302 -20.815 -8.242 308 HD13 ILE 90 HD13 ILE 90 3.695 -21.376 -6.684 309 H CYS 91 H CYS 91 1.045 -25.929 -8.675 310 HA CYS 91 HA CYS 91 -1.109 -26.472 -6.868 311 HB2 CYS 91 HB2 CYS 91 -0.396 -27.169 -9.554 312 HB3 CYS 91 HB3 CYS 91 -0.774 -28.641 -8.665 313 H GLN 92 H GLN 92 2.103 -27.216 -6.740 314 HA GLN 92 HA GLN 92 2.200 -29.904 -6.001 315 HB2 GLN 92 HB2 GLN 92 3.907 -27.535 -5.277 316 HB3 GLN 92 HB3 GLN 92 4.249 -29.139 -4.642 317 HG2 GLN 92 HG2 GLN 92 3.884 -28.903 -7.566 318 HG3 GLN 92 HG3 GLN 92 5.345 -28.200 -6.874 319 HE21 GLN 92 HE21 GLN 92 5.205 -30.412 -8.663 320 HE22 GLN 92 HE22 GLN 92 5.856 -31.784 -7.840 321 H ALA 93 H ALA 93 1.322 -27.051 -4.166 322 HA ALA 93 HA ALA 93 0.392 -28.796 -2.002 323 HB1 ALA 93 HB1 ALA 93 2.704 -27.431 -1.694 324 HB2 ALA 93 HB2 ALA 93 1.542 -26.248 -1.092 325 HB3 ALA 93 HB3 ALA 93 1.620 -27.854 -0.369 326 HA PRO 94 HA PRO 94 -3.249 -26.344 -2.087 327 HB2 PRO 94 HB2 PRO 94 -4.021 -26.441 0.515 328 HB3 PRO 94 HB3 PRO 94 -4.143 -27.827 -0.576 329 HG2 PRO 94 HG2 PRO 94 -2.048 -27.206 1.470 330 HG3 PRO 94 HG3 PRO 94 -2.838 -28.753 1.111 331 HD2 PRO 94 HD2 PRO 94 -0.362 -28.136 0.205 332 HD3 PRO 94 HD3 PRO 94 -1.484 -29.165 -0.708 333 H TRP 95 H TRP 95 -1.394 -24.549 -2.378 334 HA TRP 95 HA TRP 95 -1.026 -22.761 -0.188 335 HB2 TRP 95 HB2 TRP 95 0.382 -21.641 -1.573 336 HB3 TRP 95 HB3 TRP 95 0.244 -23.100 -2.552 337 HD1 TRP 95 HD1 TRP 95 -2.101 -22.860 -4.315 338 HE1 TRP 95 HE1 TRP 95 -2.540 -20.883 -5.903 339 HE3 TRP 95 HE3 TRP 95 0.828 -19.333 -2.053 340 HZ2 TRP 95 HZ2 TRP 95 -1.750 -18.186 -6.164 341 HZ3 TRP 95 HZ3 TRP 95 0.932 -17.079 -3.035 342 HH2 TRP 95 HH2 TRP 95 -0.331 -16.520 -5.049 343 HA PRO 96 HA PRO 96 -4.602 -20.228 -0.343 344 HB2 PRO 96 HB2 PRO 96 -3.584 -17.739 0.036 345 HB3 PRO 96 HB3 PRO 96 -3.661 -18.952 1.321 346 HG2 PRO 96 HG2 PRO 96 -1.347 -18.169 -0.410 347 HG3 PRO 96 HG3 PRO 96 -1.380 -18.491 1.333 348 HD2 PRO 96 HD2 PRO 96 -0.506 -20.313 -0.469 349 HD3 PRO 96 HD3 PRO 96 -1.321 -20.776 1.039 350 H LEU 97 H LEU 97 -5.760 -19.829 -2.115 351 HA LEU 97 HA LEU 97 -4.493 -18.400 -4.351 352 HB2 LEU 97 HB2 LEU 97 -6.640 -19.319 -5.534 353 HB3 LEU 97 HB3 LEU 97 -5.227 -20.344 -5.289 354 HG LEU 97 HG LEU 97 -7.295 -20.429 -3.176 355 HD11 LEU 97 HD11 LEU 97 -8.752 -20.389 -5.070 356 HD12 LEU 97 HD12 LEU 97 -8.628 -22.057 -4.511 357 HD13 LEU 97 HD13 LEU 97 -7.737 -21.538 -5.941 358 HD21 LEU 97 HD21 LEU 97 -6.241 -22.851 -4.479 359 HD22 LEU 97 HD22 LEU 97 -6.409 -22.461 -2.767 360 HD23 LEU 97 HD23 LEU 97 -5.044 -21.824 -3.687 361 H GLY 98 H GLY 98 -6.505 -17.401 -5.751 362 HA2 GLY 98 HA2 GLY 98 -8.363 -15.963 -5.743 363 HA3 GLY 98 HA3 GLY 98 -8.326 -15.960 -3.985 364 H ALA 99 H ALA 99 -6.525 -14.809 -6.822 365 HA ALA 99 HA ALA 99 -6.378 -12.156 -5.868 366 HB1 ALA 99 HB1 ALA 99 -4.055 -11.958 -5.300 367 HB2 ALA 99 HB2 ALA 99 -4.773 -13.218 -4.295 368 HB3 ALA 99 HB3 ALA 99 -3.771 -13.657 -5.678 369 H ASP 100 H ASP 100 -7.242 -12.837 -8.216 370 HA ASP 100 HA ASP 100 -5.331 -13.177 -10.271 371 HB2 ASP 100 HB2 ASP 100 -7.741 -13.694 -10.529 372 HB3 ASP 100 HB3 ASP 100 -8.098 -11.970 -10.462 373 H THR 101 H THR 101 -3.674 -11.693 -10.054 374 HA THR 101 HA THR 101 -4.328 -8.987 -10.955 375 HB THR 101 HB THR 101 -2.241 -9.133 -8.853 376 HG1 THR 101 HG1 THR 101 -4.176 -10.375 -8.120 377 HG21 THR 101 HG21 THR 101 -3.706 -7.153 -10.221 378 HG22 THR 101 HG22 THR 101 -2.515 -6.924 -8.940 379 HG23 THR 101 HG23 THR 101 -4.223 -7.086 -8.537 380 HA PRO 102 HA PRO 102 -0.682 -10.923 -13.117 381 HB2 PRO 102 HB2 PRO 102 -1.578 -10.396 -15.624 382 HB3 PRO 102 HB3 PRO 102 -2.014 -11.860 -14.736 383 HG2 PRO 102 HG2 PRO 102 -3.574 -9.331 -15.103 384 HG3 PRO 102 HG3 PRO 102 -4.132 -11.012 -15.185 385 HD2 PRO 102 HD2 PRO 102 -4.508 -9.458 -12.999 386 HD3 PRO 102 HD3 PRO 102 -4.264 -11.214 -12.893 387 H ALA 103 H ALA 103 0.971 -9.851 -14.274 388 HA ALA 103 HA ALA 103 1.154 -7.048 -13.751 389 HB1 ALA 103 HB1 ALA 103 2.979 -8.888 -15.294 390 HB2 ALA 103 HB2 ALA 103 3.357 -7.222 -14.851 391 HB3 ALA 103 HB3 ALA 103 3.123 -8.437 -13.594 392 H LEU 104 H LEU 104 -0.284 -5.855 -14.919 393 HA LEU 104 HA LEU 104 -1.277 -4.840 -16.699 394 HB2 LEU 104 HB2 LEU 104 1.495 -5.357 -17.728 395 HB3 LEU 104 HB3 LEU 104 0.295 -4.490 -18.683 396 HG LEU 104 HG LEU 104 0.170 -3.006 -16.485 397 HD11 LEU 104 HD11 LEU 104 1.666 -3.899 -15.016 398 HD12 LEU 104 HD12 LEU 104 2.731 -2.784 -15.871 399 HD13 LEU 104 HD13 LEU 104 2.731 -4.498 -16.288 400 HD21 LEU 104 HD21 LEU 104 1.228 -2.747 -19.021 401 HD22 LEU 104 HD22 LEU 104 2.563 -2.284 -17.966 402 HD23 LEU 104 HD23 LEU 104 1.013 -1.452 -17.843 Start of MODEL 18 1 H1 GLU 49 H GLU 49 10.893 7.785 -9.960 2 HA GLU 49 HA GLU 49 12.672 7.048 -8.749 3 HB2 GLU 49 HB2 GLU 49 12.243 9.778 -7.577 4 HB3 GLU 49 HB3 GLU 49 13.461 8.704 -6.901 5 HG2 GLU 49 HG2 GLU 49 13.368 9.427 -9.814 6 HG3 GLU 49 HG3 GLU 49 14.257 10.369 -8.618 7 H GLU 50 H GLU 50 9.864 6.501 -7.902 8 HA GLU 50 HA GLU 50 10.284 6.008 -5.035 9 HB2 GLU 50 HB2 GLU 50 7.855 5.655 -4.913 10 HB3 GLU 50 HB3 GLU 50 8.250 7.242 -5.559 11 HG2 GLU 50 HG2 GLU 50 7.772 6.498 -7.800 12 HG3 GLU 50 HG3 GLU 50 7.496 4.853 -7.227 13 H GLU 51 H GLU 51 9.049 3.928 -4.306 14 HA GLU 51 HA GLU 51 10.433 1.718 -5.247 15 HB2 GLU 51 HB2 GLU 51 8.129 2.172 -3.470 16 HB3 GLU 51 HB3 GLU 51 8.191 0.572 -4.197 17 HG2 GLU 51 HG2 GLU 51 9.659 -0.047 -2.672 18 HG3 GLU 51 HG3 GLU 51 10.791 1.158 -3.283 19 H PHE 52 H PHE 52 9.769 -0.128 -6.451 20 HA PHE 52 HA PHE 52 7.827 0.536 -8.553 21 HB2 PHE 52 HB2 PHE 52 10.416 -0.241 -8.834 22 HB3 PHE 52 HB3 PHE 52 9.597 -1.796 -8.932 23 HD1 PHE 52 HD2 PHE 52 9.213 1.662 -10.283 24 HD2 PHE 52 HD1 PHE 52 8.999 -2.525 -11.017 25 HE1 PHE 52 HE2 PHE 52 8.662 2.107 -12.640 26 HE2 PHE 52 HE1 PHE 52 8.449 -2.086 -13.375 27 HZ PHE 52 HZ PHE 52 8.281 0.232 -14.189 28 H GLN 53 H GLN 53 5.907 -0.396 -8.396 29 HA GLN 53 HA GLN 53 5.493 -2.680 -6.683 30 HB2 GLN 53 HB2 GLN 53 3.871 -0.806 -6.803 31 HB3 GLN 53 HB3 GLN 53 3.528 -1.238 -8.473 32 HG2 GLN 53 HG2 GLN 53 1.809 -2.092 -7.012 33 HG3 GLN 53 HG3 GLN 53 2.710 -3.422 -7.736 34 HE21 GLN 53 HE21 GLN 53 3.641 -4.881 -6.446 35 HE22 GLN 53 HE22 GLN 53 3.707 -4.783 -4.723 36 H PHE 54 H PHE 54 6.209 -4.570 -7.473 37 HA PHE 54 HA PHE 54 5.134 -5.437 -10.064 38 HB2 PHE 54 HB2 PHE 54 7.892 -4.980 -9.456 39 HB3 PHE 54 HB3 PHE 54 7.648 -6.706 -9.698 40 HD1 PHE 54 HD1 PHE 54 6.342 -3.590 -11.293 41 HD2 PHE 54 HD2 PHE 54 8.184 -7.393 -11.811 42 HE1 PHE 54 HE1 PHE 54 6.361 -3.245 -13.728 43 HE2 PHE 54 HE2 PHE 54 8.207 -7.053 -14.248 44 HZ PHE 54 HZ PHE 54 7.296 -4.977 -15.210 45 H LEU 55 H LEU 55 5.463 -7.893 -10.313 46 HA LEU 55 HA LEU 55 4.641 -9.137 -7.784 47 HB2 LEU 55 HB2 LEU 55 4.078 -11.009 -9.629 48 HB3 LEU 55 HB3 LEU 55 2.955 -9.744 -9.134 49 HG LEU 55 HG LEU 55 3.663 -8.405 -11.092 50 HD11 LEU 55 HD11 LEU 55 5.910 -9.440 -11.312 51 HD12 LEU 55 HD12 LEU 55 5.007 -9.370 -12.824 52 HD13 LEU 55 HD13 LEU 55 5.133 -10.892 -11.944 53 HD21 LEU 55 HD21 LEU 55 2.642 -11.180 -11.690 54 HD22 LEU 55 HD22 LEU 55 2.526 -9.794 -12.775 55 HD23 LEU 55 HD23 LEU 55 1.672 -9.779 -11.231 56 H ARG 56 H ARG 56 5.121 -11.697 -8.016 57 HA ARG 56 HA ARG 56 7.812 -12.189 -8.990 58 HB2 ARG 56 HB2 ARG 56 8.185 -11.251 -6.748 59 HB3 ARG 56 HB3 ARG 56 7.120 -12.470 -6.060 60 HG2 ARG 56 HG2 ARG 56 9.135 -13.766 -7.608 61 HG3 ARG 56 HG3 ARG 56 9.896 -12.623 -6.500 62 HD2 ARG 56 HD2 ARG 56 8.026 -14.884 -5.827 63 HD3 ARG 56 HD3 ARG 56 9.718 -14.710 -5.366 64 HE ARG 56 HE ARG 56 8.375 -12.521 -4.326 65 HH11 ARG 56 HH11 ARG 56 8.322 -15.985 -3.976 66 HH12 ARG 56 HH12 ARG 56 7.792 -15.939 -2.327 67 HH21 ARG 56 HH21 ARG 56 7.678 -12.449 -2.155 68 HH22 ARG 56 HH22 ARG 56 7.426 -13.929 -1.293 69 H CYS 57 H CYS 57 7.930 -14.175 -9.807 70 HA CYS 57 HA CYS 57 5.788 -15.920 -9.954 71 HB2 CYS 57 HB2 CYS 57 7.912 -15.877 -11.374 72 HB3 CYS 57 HB3 CYS 57 8.662 -16.825 -10.094 73 H GLN 58 H GLN 58 4.860 -17.223 -8.530 74 HA GLN 58 HA GLN 58 6.031 -17.656 -5.943 75 HB2 GLN 58 HB2 GLN 58 3.494 -18.769 -7.151 76 HB3 GLN 58 HB3 GLN 58 3.953 -18.887 -5.458 77 HG2 GLN 58 HG2 GLN 58 3.472 -16.311 -6.937 78 HG3 GLN 58 HG3 GLN 58 2.300 -17.118 -5.897 79 HE21 GLN 58 HE21 GLN 58 3.437 -17.765 -3.696 80 HE22 GLN 58 HE22 GLN 58 4.228 -16.445 -2.911 81 H GLN 59 H GLN 59 6.670 -19.050 -8.799 82 HA GLN 59 HA GLN 59 7.175 -21.689 -7.589 83 HB2 GLN 59 HB2 GLN 59 6.447 -22.745 -9.443 84 HB3 GLN 59 HB3 GLN 59 5.595 -21.237 -9.751 85 HG2 GLN 59 HG2 GLN 59 6.605 -21.341 -11.741 86 HG3 GLN 59 HG3 GLN 59 7.996 -20.697 -10.869 87 HE21 GLN 59 HE21 GLN 59 9.811 -21.852 -10.820 88 HE22 GLN 59 HE22 GLN 59 9.976 -23.475 -11.388 89 H CYS 60 H CYS 60 8.483 -18.949 -9.210 90 HA CYS 60 HA CYS 60 11.069 -20.311 -9.545 91 HB2 CYS 60 HB2 CYS 60 9.778 -17.982 -10.907 92 HB3 CYS 60 HB3 CYS 60 11.536 -18.052 -10.830 93 H GLN 61 H GLN 61 9.407 -17.816 -7.823 94 HA GLN 61 HA GLN 61 10.009 -16.497 -6.071 95 HB2 GLN 61 HB2 GLN 61 12.601 -18.033 -5.954 96 HB3 GLN 61 HB3 GLN 61 11.783 -17.191 -4.644 97 HG2 GLN 61 HG2 GLN 61 9.940 -18.830 -4.796 98 HG3 GLN 61 HG3 GLN 61 10.862 -19.703 -6.019 99 HE21 GLN 61 HE21 GLN 61 11.913 -21.382 -5.266 100 HE22 GLN 61 HE22 GLN 61 12.564 -21.556 -3.675 101 H ALA 62 H ALA 62 10.695 -15.775 -8.799 102 HA ALA 62 HA ALA 62 12.790 -13.816 -8.184 103 HB1 ALA 62 HB1 ALA 62 12.676 -15.298 -10.804 104 HB2 ALA 62 HB2 ALA 62 13.903 -14.148 -10.271 105 HB3 ALA 62 HB3 ALA 62 13.763 -15.717 -9.480 106 H GLU 63 H GLU 63 12.891 -12.214 -10.188 107 HA GLU 63 HA GLU 63 10.447 -10.832 -10.217 108 HB2 GLU 63 HB2 GLU 63 12.910 -10.586 -11.941 109 HB3 GLU 63 HB3 GLU 63 11.537 -9.495 -12.078 110 HG2 GLU 63 HG2 GLU 63 11.896 -8.581 -9.968 111 HG3 GLU 63 HG3 GLU 63 12.913 -9.926 -9.456 112 H ALA 64 H ALA 64 8.732 -10.858 -11.547 113 HA ALA 64 HA ALA 64 8.794 -12.766 -13.787 114 HB1 ALA 64 HB1 ALA 64 6.167 -12.339 -13.439 115 HB2 ALA 64 HB2 ALA 64 7.072 -13.585 -12.577 116 HB3 ALA 64 HB3 ALA 64 6.740 -12.038 -11.798 117 H LYS 65 H LYS 65 8.973 -11.864 -15.722 118 HA LYS 65 HA LYS 65 8.474 -9.091 -16.187 119 HB2 LYS 65 HB2 LYS 65 9.148 -11.388 -18.023 120 HB3 LYS 65 HB3 LYS 65 8.914 -9.744 -18.602 121 HG2 LYS 65 HG2 LYS 65 10.754 -8.978 -17.198 122 HG3 LYS 65 HG3 LYS 65 10.980 -10.620 -16.594 123 HD2 LYS 65 HD2 LYS 65 11.067 -10.061 -19.534 124 HD3 LYS 65 HD3 LYS 65 12.483 -9.756 -18.525 125 HE2 LYS 65 HE2 LYS 65 11.024 -12.391 -18.614 126 HE3 LYS 65 HE3 LYS 65 12.420 -12.013 -19.621 127 HZ1 LYS 65 HZ1 LYS 65 12.769 -11.522 -16.788 128 HZ2 LYS 65 HZ2 LYS 65 13.825 -12.232 -17.903 129 HZ3 LYS 65 HZ3 LYS 65 12.582 -13.149 -17.213 130 H CYS 66 H CYS 66 7.146 -11.820 -18.042 131 HA CYS 66 HA CYS 66 4.566 -10.397 -18.098 132 HB2 CYS 66 HB2 CYS 66 6.047 -10.873 -20.264 133 HB3 CYS 66 HB3 CYS 66 5.223 -12.425 -20.178 134 HG CYS 66 HG CYS 66 2.642 -11.120 -20.128 135 HA PRO 67 HA PRO 67 3.963 -14.443 -15.876 136 HB2 PRO 67 HB2 PRO 67 2.527 -13.384 -13.831 137 HB3 PRO 67 HB3 PRO 67 4.292 -13.470 -13.822 138 HG2 PRO 67 HG2 PRO 67 2.512 -11.157 -14.486 139 HG3 PRO 67 HG3 PRO 67 3.996 -11.184 -13.516 140 HD2 PRO 67 HD2 PRO 67 3.955 -10.350 -16.092 141 HD3 PRO 67 HD3 PRO 67 5.361 -11.162 -15.373 142 H LYS 68 H LYS 68 1.912 -15.511 -15.363 143 HA LYS 68 HA LYS 68 -0.462 -14.265 -16.545 144 HB2 LYS 68 HB2 LYS 68 0.382 -17.085 -17.223 145 HB3 LYS 68 HB3 LYS 68 -0.974 -16.187 -17.892 146 HG2 LYS 68 HG2 LYS 68 1.049 -14.542 -18.554 147 HG3 LYS 68 HG3 LYS 68 1.886 -16.095 -18.580 148 HD2 LYS 68 HD2 LYS 68 -0.328 -16.776 -19.921 149 HD3 LYS 68 HD3 LYS 68 -0.266 -15.061 -20.332 150 HE2 LYS 68 HE2 LYS 68 1.361 -15.428 -21.799 151 HE3 LYS 68 HE3 LYS 68 2.352 -16.199 -20.560 152 HZ1 LYS 68 HZ1 LYS 68 0.798 -17.390 -22.662 153 HZ2 LYS 68 HZ2 LYS 68 0.512 -18.096 -21.153 154 HZ3 LYS 68 HZ3 LYS 68 2.084 -18.034 -21.772 155 H LEU 69 H LEU 69 -2.464 -15.261 -15.901 156 HA LEU 69 HA LEU 69 -2.247 -16.525 -13.266 157 HB2 LEU 69 HB2 LEU 69 -4.738 -15.419 -14.530 158 HB3 LEU 69 HB3 LEU 69 -4.439 -15.754 -12.826 159 HG LEU 69 HG LEU 69 -3.052 -13.583 -14.395 160 HD11 LEU 69 HD11 LEU 69 -5.196 -12.769 -14.345 161 HD12 LEU 69 HD12 LEU 69 -4.577 -12.173 -12.806 162 HD13 LEU 69 HD13 LEU 69 -5.599 -13.608 -12.847 163 HD21 LEU 69 HD21 LEU 69 -1.825 -14.434 -12.444 164 HD22 LEU 69 HD22 LEU 69 -3.229 -14.105 -11.428 165 HD23 LEU 69 HD23 LEU 69 -2.374 -12.774 -12.210 166 H LEU 70 H LEU 70 -1.886 -18.663 -13.842 167 HA LEU 70 HA LEU 70 -3.099 -20.171 -15.782 168 HB2 LEU 70 HB2 LEU 70 -2.058 -20.833 -13.062 169 HB3 LEU 70 HB3 LEU 70 -2.860 -22.079 -14.017 170 HG LEU 70 HG LEU 70 -0.553 -20.530 -15.145 171 HD11 LEU 70 HD11 LEU 70 -0.267 -23.095 -13.601 172 HD12 LEU 70 HD12 LEU 70 0.049 -21.507 -12.901 173 HD13 LEU 70 HD13 LEU 70 1.008 -22.075 -14.268 174 HD21 LEU 70 HD21 LEU 70 -2.056 -22.012 -16.539 175 HD22 LEU 70 HD22 LEU 70 -1.410 -23.375 -15.623 176 HD23 LEU 70 HD23 LEU 70 -0.331 -22.377 -16.600 177 HA PRO 71 HA PRO 71 -7.318 -20.806 -14.756 178 HB2 PRO 71 HB2 PRO 71 -7.686 -23.429 -15.348 179 HB3 PRO 71 HB3 PRO 71 -7.462 -22.189 -16.585 180 HG2 PRO 71 HG2 PRO 71 -5.471 -24.114 -15.452 181 HG3 PRO 71 HG3 PRO 71 -5.725 -23.631 -17.139 182 HD2 PRO 71 HD2 PRO 71 -3.737 -22.605 -15.614 183 HD3 PRO 71 HD3 PRO 71 -4.544 -21.667 -16.887 184 H CYS 72 H CYS 72 -4.877 -22.277 -12.975 185 HA CYS 72 HA CYS 72 -6.755 -23.538 -11.104 186 HB2 CYS 72 HB2 CYS 72 -4.247 -24.334 -12.069 187 HB3 CYS 72 HB3 CYS 72 -3.963 -23.845 -10.403 188 H LEU 73 H LEU 73 -6.011 -20.580 -11.494 189 HA LEU 73 HA LEU 73 -5.876 -18.742 -10.162 190 HB2 LEU 73 HB2 LEU 73 -6.087 -20.612 -7.815 191 HB3 LEU 73 HB3 LEU 73 -6.493 -18.899 -7.866 192 HG LEU 73 HG LEU 73 -8.190 -19.906 -9.741 193 HD11 LEU 73 HD11 LEU 73 -7.329 -22.124 -8.090 194 HD12 LEU 73 HD12 LEU 73 -8.310 -22.118 -9.555 195 HD13 LEU 73 HD13 LEU 73 -9.069 -21.854 -7.985 196 HD21 LEU 73 HD21 LEU 73 -9.756 -20.019 -7.572 197 HD22 LEU 73 HD22 LEU 73 -9.216 -18.503 -8.293 198 HD23 LEU 73 HD23 LEU 73 -8.376 -19.160 -6.888 199 H HIS 74 H HIS 74 -3.503 -20.180 -10.968 200 HA HIS 74 HA HIS 74 -1.688 -19.691 -8.712 201 HB2 HIS 74 HB2 HIS 74 -1.219 -21.184 -11.301 202 HB3 HIS 74 HB3 HIS 74 -0.031 -20.983 -10.017 203 HD1 HIS 74 HD1 HIS 74 -2.909 -21.478 -8.142 204 HD2 HIS 74 HD2 HIS 74 -0.640 -24.004 -10.535 205 HE1 HIS 74 HE1 HIS 74 -3.452 -23.807 -7.365 206 H THR 75 H THR 75 0.453 -18.735 -9.283 207 HA THR 75 HA THR 75 0.213 -16.738 -11.435 208 HB THR 75 HB THR 75 1.357 -16.237 -8.679 209 HG1 THR 75 HG1 THR 75 -1.092 -15.568 -9.930 210 HG21 THR 75 HG21 THR 75 2.415 -14.488 -9.561 211 HG22 THR 75 HG22 THR 75 0.882 -13.859 -10.165 212 HG23 THR 75 HG23 THR 75 1.843 -14.947 -11.164 213 H LEU 76 H LEU 76 1.645 -17.468 -12.897 214 HA LEU 76 HA LEU 76 4.360 -18.116 -11.951 215 HB2 LEU 76 HB2 LEU 76 2.578 -19.415 -13.870 216 HB3 LEU 76 HB3 LEU 76 4.208 -19.148 -14.484 217 HG LEU 76 HG LEU 76 5.104 -20.383 -12.537 218 HD11 LEU 76 HD11 LEU 76 2.867 -21.828 -11.690 219 HD12 LEU 76 HD12 LEU 76 2.382 -20.133 -11.647 220 HD13 LEU 76 HD13 LEU 76 3.810 -20.664 -10.758 221 HD21 LEU 76 HD21 LEU 76 3.244 -22.369 -13.575 222 HD22 LEU 76 HD22 LEU 76 4.999 -22.268 -13.728 223 HD23 LEU 76 HD23 LEU 76 3.963 -21.370 -14.838 224 H CYS 77 H CYS 77 6.028 -17.789 -13.772 225 HA CYS 77 HA CYS 77 5.684 -15.060 -14.752 226 HB2 CYS 77 HB2 CYS 77 8.100 -15.067 -15.082 227 HB3 CYS 77 HB3 CYS 77 7.711 -15.608 -13.453 228 H SER 78 H SER 78 6.679 -14.562 -16.921 229 HA SER 78 HA SER 78 5.304 -15.823 -18.957 230 HB2 SER 78 HB2 SER 78 6.686 -14.588 -20.502 231 HB3 SER 78 HB3 SER 78 6.408 -13.572 -19.087 232 HG SER 78 HG SER 78 8.557 -13.443 -19.458 233 H GLY 79 H GLY 79 8.792 -16.165 -18.261 234 HA2 GLY 79 HA2 GLY 79 9.369 -18.147 -20.108 235 HA3 GLY 79 HA3 GLY 79 10.224 -17.930 -18.588 236 H CYS 80 H CYS 80 7.705 -18.421 -17.064 237 HA CYS 80 HA CYS 80 8.015 -21.254 -16.810 238 HB2 CYS 80 HB2 CYS 80 6.652 -19.099 -15.357 239 HB3 CYS 80 HB3 CYS 80 5.786 -20.631 -15.330 240 H LEU 81 H LEU 81 5.542 -19.111 -18.127 241 HA LEU 81 HA LEU 81 3.562 -21.055 -18.584 242 HB2 LEU 81 HB2 LEU 81 4.061 -18.291 -19.315 243 HB3 LEU 81 HB3 LEU 81 3.270 -19.186 -20.611 244 HG LEU 81 HG LEU 81 1.656 -18.013 -19.201 245 HD11 LEU 81 HD11 LEU 81 1.641 -21.016 -19.116 246 HD12 LEU 81 HD12 LEU 81 0.801 -19.946 -20.237 247 HD13 LEU 81 HD13 LEU 81 0.282 -20.042 -18.555 248 HD21 LEU 81 HD21 LEU 81 2.995 -19.584 -17.028 249 HD22 LEU 81 HD22 LEU 81 1.324 -19.047 -16.863 250 HD23 LEU 81 HD23 LEU 81 2.612 -17.863 -17.086 251 H GLU 82 H GLU 82 6.230 -19.892 -20.595 252 HA GLU 82 HA GLU 82 5.507 -21.559 -22.824 253 HB2 GLU 82 HB2 GLU 82 6.956 -19.296 -22.640 254 HB3 GLU 82 HB3 GLU 82 8.259 -20.476 -22.626 255 HG2 GLU 82 HG2 GLU 82 7.055 -21.455 -24.700 256 HG3 GLU 82 HG3 GLU 82 6.278 -19.875 -24.774 257 H ALA 83 H ALA 83 8.207 -21.537 -20.498 258 HA ALA 83 HA ALA 83 9.368 -23.949 -21.357 259 HB1 ALA 83 HB1 ALA 83 10.472 -22.223 -19.933 260 HB2 ALA 83 HB2 ALA 83 9.504 -22.799 -18.576 261 HB3 ALA 83 HB3 ALA 83 10.665 -23.877 -19.351 262 H SER 84 H SER 84 7.266 -23.317 -18.544 263 HA SER 84 HA SER 84 6.923 -26.140 -18.060 264 HB2 SER 84 HB2 SER 84 6.137 -25.524 -16.024 265 HB3 SER 84 HB3 SER 84 6.821 -23.952 -16.438 266 HG SER 84 HG SER 84 4.784 -23.447 -15.962 267 H GLY 85 H GLY 85 5.837 -24.472 -20.492 268 HA2 GLY 85 HA2 GLY 85 3.890 -24.363 -21.745 269 HA3 GLY 85 HA3 GLY 85 3.864 -26.082 -21.382 270 H MET 86 H MET 86 3.320 -23.258 -19.292 271 HA MET 86 HA MET 86 1.551 -22.641 -18.002 272 HB2 MET 86 HB2 MET 86 -0.314 -24.379 -19.562 273 HB3 MET 86 HB3 MET 86 -0.575 -22.768 -18.906 274 HG2 MET 86 HG2 MET 86 1.316 -22.184 -20.690 275 HG3 MET 86 HG3 MET 86 0.624 -23.605 -21.471 276 HE1 MET 86 HE1 MET 86 -2.140 -23.660 -22.244 277 HE2 MET 86 HE2 MET 86 -2.200 -22.287 -23.348 278 HE3 MET 86 HE3 MET 86 -0.746 -23.280 -23.254 279 H GLN 87 H GLN 87 3.109 -24.947 -17.301 280 HA GLN 87 HA GLN 87 1.545 -27.114 -16.438 281 HB2 GLN 87 HB2 GLN 87 4.266 -26.280 -16.233 282 HB3 GLN 87 HB3 GLN 87 3.713 -26.751 -14.632 283 HG2 GLN 87 HG2 GLN 87 3.762 -28.906 -15.151 284 HG3 GLN 87 HG3 GLN 87 2.873 -28.642 -16.650 285 HE21 GLN 87 HE21 GLN 87 4.157 -30.148 -17.734 286 HE22 GLN 87 HE22 GLN 87 5.779 -29.789 -18.207 287 H CYS 88 H CYS 88 2.061 -27.467 -13.757 288 HA CYS 88 HA CYS 88 0.749 -25.214 -12.410 289 HB2 CYS 88 HB2 CYS 88 -0.470 -27.734 -13.012 290 HB3 CYS 88 HB3 CYS 88 -0.277 -27.600 -11.268 291 HA PRO 89 HA PRO 89 4.401 -26.924 -10.073 292 HB2 PRO 89 HB2 PRO 89 5.594 -24.515 -9.688 293 HB3 PRO 89 HB3 PRO 89 5.868 -25.505 -11.127 294 HG2 PRO 89 HG2 PRO 89 4.057 -23.149 -10.766 295 HG3 PRO 89 HG3 PRO 89 5.130 -23.538 -12.123 296 HD2 PRO 89 HD2 PRO 89 2.463 -24.002 -12.196 297 HD3 PRO 89 HD3 PRO 89 3.635 -25.033 -13.040 298 H ILE 90 H ILE 90 2.562 -23.929 -9.518 299 HA ILE 90 HA ILE 90 2.994 -23.776 -6.745 300 HB ILE 90 HB ILE 90 0.514 -22.795 -8.150 301 HG12 ILE 90 HG12 ILE 90 2.358 -22.020 -9.480 302 HG13 ILE 90 HG13 ILE 90 1.812 -20.671 -8.489 303 HG21 ILE 90 HG21 ILE 90 0.042 -21.801 -6.223 304 HG22 ILE 90 HG22 ILE 90 1.407 -22.646 -5.494 305 HG23 ILE 90 HG23 ILE 90 1.631 -21.038 -6.181 306 HD11 ILE 90 HD11 ILE 90 3.673 -21.407 -6.868 307 HD12 ILE 90 HD12 ILE 90 4.306 -22.294 -8.256 308 HD13 ILE 90 HD13 ILE 90 4.111 -20.543 -8.341 309 H CYS 91 H CYS 91 1.094 -25.913 -8.587 310 HA CYS 91 HA CYS 91 -0.952 -26.457 -6.685 311 HB2 CYS 91 HB2 CYS 91 -0.258 -27.320 -9.312 312 HB3 CYS 91 HB3 CYS 91 -0.462 -28.750 -8.306 313 H GLN 92 H GLN 92 2.327 -27.086 -6.655 314 HA GLN 92 HA GLN 92 2.461 -29.667 -5.552 315 HB2 GLN 92 HB2 GLN 92 4.274 -27.283 -5.522 316 HB3 GLN 92 HB3 GLN 92 4.652 -28.677 -4.518 317 HG2 GLN 92 HG2 GLN 92 4.924 -30.081 -6.368 318 HG3 GLN 92 HG3 GLN 92 4.113 -28.951 -7.452 319 HE21 GLN 92 HE21 GLN 92 6.172 -29.521 -8.643 320 HE22 GLN 92 HE22 GLN 92 7.527 -28.483 -8.381 321 H ALA 93 H ALA 93 2.043 -26.492 -4.069 322 HA ALA 93 HA ALA 93 1.505 -27.843 -1.504 323 HB1 ALA 93 HB1 ALA 93 3.350 -26.612 -0.948 324 HB2 ALA 93 HB2 ALA 93 2.993 -25.342 -2.119 325 HB3 ALA 93 HB3 ALA 93 2.082 -25.433 -0.612 326 HA PRO 94 HA PRO 94 -2.584 -26.224 -1.782 327 HB2 PRO 94 HB2 PRO 94 -3.264 -26.375 0.842 328 HB3 PRO 94 HB3 PRO 94 -3.147 -27.796 -0.204 329 HG2 PRO 94 HG2 PRO 94 -1.162 -26.723 1.764 330 HG3 PRO 94 HG3 PRO 94 -1.652 -28.401 1.472 331 HD2 PRO 94 HD2 PRO 94 0.640 -27.360 0.478 332 HD3 PRO 94 HD3 PRO 94 -0.287 -28.613 -0.373 333 H TRP 95 H TRP 95 -1.081 -24.126 -2.163 334 HA TRP 95 HA TRP 95 -0.850 -22.219 -0.125 335 HB2 TRP 95 HB2 TRP 95 -0.043 -20.847 -1.746 336 HB3 TRP 95 HB3 TRP 95 -0.021 -22.334 -2.691 337 HD1 TRP 95 HD1 TRP 95 -0.975 -18.920 -3.126 338 HE1 TRP 95 HE1 TRP 95 -2.813 -18.631 -4.906 339 HE3 TRP 95 HE3 TRP 95 -2.572 -23.767 -3.438 340 HZ2 TRP 95 HZ2 TRP 95 -4.690 -20.245 -6.263 341 HZ3 TRP 95 HZ3 TRP 95 -4.394 -24.310 -5.001 342 HH2 TRP 95 HH2 TRP 95 -5.429 -22.584 -6.383 343 HA PRO 96 HA PRO 96 -4.868 -20.569 0.488 344 HB2 PRO 96 HB2 PRO 96 -4.370 -17.914 0.756 345 HB3 PRO 96 HB3 PRO 96 -3.931 -19.103 1.989 346 HG2 PRO 96 HG2 PRO 96 -2.220 -17.836 -0.116 347 HG3 PRO 96 HG3 PRO 96 -1.850 -18.144 1.590 348 HD2 PRO 96 HD2 PRO 96 -0.954 -19.740 -0.404 349 HD3 PRO 96 HD3 PRO 96 -1.345 -20.361 1.212 350 H LEU 97 H LEU 97 -6.362 -20.518 -1.067 351 HA LEU 97 HA LEU 97 -5.902 -19.379 -3.639 352 HB2 LEU 97 HB2 LEU 97 -8.192 -20.685 -2.257 353 HB3 LEU 97 HB3 LEU 97 -8.512 -19.755 -3.720 354 HG LEU 97 HG LEU 97 -6.355 -21.772 -3.884 355 HD11 LEU 97 HD11 LEU 97 -9.174 -22.730 -4.107 356 HD12 LEU 97 HD12 LEU 97 -8.361 -22.735 -2.543 357 HD13 LEU 97 HD13 LEU 97 -7.688 -23.654 -3.889 358 HD21 LEU 97 HD21 LEU 97 -8.649 -21.005 -5.685 359 HD22 LEU 97 HD22 LEU 97 -7.333 -22.103 -6.096 360 HD23 LEU 97 HD23 LEU 97 -6.998 -20.397 -5.797 361 H GLY 98 H GLY 98 -7.313 -17.731 -4.631 362 HA2 GLY 98 HA2 GLY 98 -8.704 -15.816 -4.478 363 HA3 GLY 98 HA3 GLY 98 -8.428 -15.786 -2.743 364 H ALA 99 H ALA 99 -8.179 -13.643 -4.742 365 HA ALA 99 HA ALA 99 -6.836 -11.842 -5.119 366 HB1 ALA 99 HB1 ALA 99 -5.234 -11.253 -3.519 367 HB2 ALA 99 HB2 ALA 99 -6.420 -12.204 -2.625 368 HB3 ALA 99 HB3 ALA 99 -4.890 -12.934 -3.113 369 H ASP 100 H ASP 100 -6.171 -12.175 -7.184 370 HA ASP 100 HA ASP 100 -3.431 -12.941 -7.584 371 HB2 ASP 100 HB2 ASP 100 -4.181 -14.627 -9.426 372 HB3 ASP 100 HB3 ASP 100 -4.122 -15.155 -7.747 373 H THR 101 H THR 101 -2.781 -11.295 -8.796 374 HA THR 101 HA THR 101 -4.238 -10.699 -11.261 375 HB THR 101 HB THR 101 -3.396 -8.186 -10.443 376 HG1 THR 101 HG1 THR 101 -4.295 -9.724 -8.258 377 HG21 THR 101 HG21 THR 101 -6.192 -8.948 -9.837 378 HG22 THR 101 HG22 THR 101 -5.627 -9.252 -11.480 379 HG23 THR 101 HG23 THR 101 -5.565 -7.620 -10.814 380 HA PRO 102 HA PRO 102 -0.251 -10.441 -13.080 381 HB2 PRO 102 HB2 PRO 102 -0.657 -8.583 -15.017 382 HB3 PRO 102 HB3 PRO 102 -1.313 -10.222 -15.106 383 HG2 PRO 102 HG2 PRO 102 -2.665 -7.685 -14.272 384 HG3 PRO 102 HG3 PRO 102 -3.275 -8.990 -15.304 385 HD2 PRO 102 HD2 PRO 102 -3.965 -8.751 -12.697 386 HD3 PRO 102 HD3 PRO 102 -3.825 -10.325 -13.508 387 H ALA 103 H ALA 103 1.180 -8.471 -14.137 388 HA ALA 103 HA ALA 103 1.828 -6.821 -11.838 389 HB1 ALA 103 HB1 ALA 103 3.902 -6.418 -12.860 390 HB2 ALA 103 HB2 ALA 103 3.524 -8.097 -13.248 391 HB3 ALA 103 HB3 ALA 103 3.291 -6.838 -14.460 392 H LEU 104 H LEU 104 2.083 -4.543 -11.934 393 HA LEU 104 HA LEU 104 -0.006 -3.117 -13.018 394 HB2 LEU 104 HB2 LEU 104 2.725 -2.327 -12.096 395 HB3 LEU 104 HB3 LEU 104 1.651 -1.123 -12.805 396 HG LEU 104 HG LEU 104 -0.013 -1.629 -11.041 397 HD11 LEU 104 HD11 LEU 104 0.351 -3.774 -10.298 398 HD12 LEU 104 HD12 LEU 104 1.085 -2.828 -9.003 399 HD13 LEU 104 HD13 LEU 104 2.103 -3.573 -10.236 400 HD21 LEU 104 HD21 LEU 104 2.704 -0.566 -10.481 401 HD22 LEU 104 HD22 LEU 104 1.607 -0.798 -9.119 402 HD23 LEU 104 HD23 LEU 104 1.140 0.250 -10.459 Start of MODEL 19 1 H1 GLU 49 H GLU 49 14.897 4.668 -5.525 2 HA GLU 49 HA GLU 49 12.800 6.609 -5.868 3 HB2 GLU 49 HB2 GLU 49 13.933 5.148 -8.258 4 HB3 GLU 49 HB3 GLU 49 12.357 5.928 -8.251 5 HG2 GLU 49 HG2 GLU 49 14.723 7.536 -7.456 6 HG3 GLU 49 HG3 GLU 49 14.506 7.145 -9.161 7 H GLU 50 H GLU 50 10.753 5.501 -6.671 8 HA GLU 50 HA GLU 50 10.517 2.966 -5.254 9 HB2 GLU 50 HB2 GLU 50 8.619 5.076 -6.163 10 HB3 GLU 50 HB3 GLU 50 8.001 3.441 -5.978 11 HG2 GLU 50 HG2 GLU 50 8.605 3.397 -3.670 12 HG3 GLU 50 HG3 GLU 50 9.465 4.929 -3.815 13 H GLU 51 H GLU 51 9.887 1.051 -6.167 14 HA GLU 51 HA GLU 51 10.467 0.692 -8.940 15 HB2 GLU 51 HB2 GLU 51 9.448 -1.144 -6.781 16 HB3 GLU 51 HB3 GLU 51 9.627 -1.679 -8.446 17 HG2 GLU 51 HG2 GLU 51 11.582 -2.355 -7.350 18 HG3 GLU 51 HG3 GLU 51 12.036 -0.934 -8.289 19 H PHE 52 H PHE 52 8.895 -0.679 -10.299 20 HA PHE 52 HA PHE 52 6.297 0.686 -10.254 21 HB2 PHE 52 HB2 PHE 52 6.124 -0.002 -12.627 22 HB3 PHE 52 HB3 PHE 52 7.556 0.973 -12.314 23 HD1 PHE 52 HD2 PHE 52 6.329 -2.422 -13.012 24 HD2 PHE 52 HD1 PHE 52 9.745 0.085 -12.602 25 HE1 PHE 52 HE2 PHE 52 7.733 -4.178 -14.010 26 HE2 PHE 52 HE1 PHE 52 11.154 -1.668 -13.600 27 HZ PHE 52 HZ PHE 52 10.149 -3.802 -14.306 28 H GLN 53 H GLN 53 4.379 -0.544 -10.843 29 HA GLN 53 HA GLN 53 3.946 -2.763 -9.258 30 HB2 GLN 53 HB2 GLN 53 2.149 -1.368 -10.203 31 HB3 GLN 53 HB3 GLN 53 2.483 -2.027 -11.799 32 HG2 GLN 53 HG2 GLN 53 0.732 -3.340 -11.204 33 HG3 GLN 53 HG3 GLN 53 2.056 -4.316 -10.569 34 HE21 GLN 53 HE21 GLN 53 1.627 -5.113 -8.654 35 HE22 GLN 53 HE22 GLN 53 0.718 -4.344 -7.402 36 H PHE 54 H PHE 54 4.826 -4.711 -9.357 37 HA PHE 54 HA PHE 54 4.895 -6.139 -11.885 38 HB2 PHE 54 HB2 PHE 54 7.203 -6.611 -11.904 39 HB3 PHE 54 HB3 PHE 54 7.110 -4.886 -11.565 40 HD1 PHE 54 HD2 PHE 54 6.727 -4.545 -8.830 41 HD2 PHE 54 HD1 PHE 54 8.900 -7.643 -10.777 42 HE1 PHE 54 HE2 PHE 54 8.078 -4.869 -6.798 43 HE2 PHE 54 HE1 PHE 54 10.253 -7.975 -8.749 44 HZ PHE 54 HZ PHE 54 9.844 -6.586 -6.756 45 H LEU 55 H LEU 55 4.570 -8.289 -11.646 46 HA LEU 55 HA LEU 55 3.932 -9.249 -8.998 47 HB2 LEU 55 HB2 LEU 55 3.864 -10.705 -11.636 48 HB3 LEU 55 HB3 LEU 55 3.131 -11.242 -10.125 49 HG LEU 55 HG LEU 55 2.296 -8.752 -11.606 50 HD11 LEU 55 HD11 LEU 55 1.638 -10.364 -13.103 51 HD12 LEU 55 HD12 LEU 55 0.236 -10.304 -12.035 52 HD13 LEU 55 HD13 LEU 55 1.426 -11.593 -11.856 53 HD21 LEU 55 HD21 LEU 55 1.753 -8.676 -9.263 54 HD22 LEU 55 HD22 LEU 55 1.079 -10.305 -9.325 55 HD23 LEU 55 HD23 LEU 55 0.281 -8.985 -10.183 56 H ARG 56 H ARG 56 4.579 -11.759 -8.758 57 HA ARG 56 HA ARG 56 7.398 -12.138 -9.415 58 HB2 ARG 56 HB2 ARG 56 7.253 -10.981 -7.188 59 HB3 ARG 56 HB3 ARG 56 6.391 -12.388 -6.580 60 HG2 ARG 56 HG2 ARG 56 8.854 -13.148 -7.879 61 HG3 ARG 56 HG3 ARG 56 9.134 -11.979 -6.587 62 HD2 ARG 56 HD2 ARG 56 7.653 -14.597 -6.361 63 HD3 ARG 56 HD3 ARG 56 9.250 -14.233 -5.709 64 HE ARG 56 HE ARG 56 7.604 -12.362 -4.590 65 HH11 ARG 56 HH11 ARG 56 7.667 -15.840 -4.717 66 HH12 ARG 56 HH12 ARG 56 6.898 -16.041 -3.177 67 HH21 ARG 56 HH21 ARG 56 6.590 -12.612 -2.562 68 HH22 ARG 56 HH22 ARG 56 6.284 -14.203 -1.953 69 H CYS 57 H CYS 57 7.533 -14.081 -10.303 70 HA CYS 57 HA CYS 57 5.592 -16.023 -10.380 71 HB2 CYS 57 HB2 CYS 57 7.746 -15.854 -11.749 72 HB3 CYS 57 HB3 CYS 57 8.532 -16.691 -10.414 73 H GLN 58 H GLN 58 4.753 -17.370 -8.939 74 HA GLN 58 HA GLN 58 5.874 -17.575 -6.301 75 HB2 GLN 58 HB2 GLN 58 3.517 -19.051 -7.487 76 HB3 GLN 58 HB3 GLN 58 3.905 -18.904 -5.778 77 HG2 GLN 58 HG2 GLN 58 3.242 -16.582 -7.571 78 HG3 GLN 58 HG3 GLN 58 2.078 -17.414 -6.540 79 HE21 GLN 58 HE21 GLN 58 2.490 -17.399 -4.232 80 HE22 GLN 58 HE22 GLN 58 3.296 -16.045 -3.527 81 H GLN 59 H GLN 59 6.564 -19.108 -9.137 82 HA GLN 59 HA GLN 59 7.324 -21.609 -7.780 83 HB2 GLN 59 HB2 GLN 59 6.843 -22.794 -9.658 84 HB3 GLN 59 HB3 GLN 59 5.768 -21.435 -9.957 85 HG2 GLN 59 HG2 GLN 59 6.771 -21.263 -11.928 86 HG3 GLN 59 HG3 GLN 59 8.142 -20.589 -11.045 87 HE21 GLN 59 HE21 GLN 59 9.986 -21.767 -10.832 88 HE22 GLN 59 HE22 GLN 59 10.244 -23.292 -11.600 89 H CYS 60 H CYS 60 8.468 -18.799 -9.365 90 HA CYS 60 HA CYS 60 11.175 -19.948 -9.547 91 HB2 CYS 60 HB2 CYS 60 9.786 -17.788 -11.101 92 HB3 CYS 60 HB3 CYS 60 11.544 -17.808 -10.994 93 H GLN 61 H GLN 61 9.207 -17.779 -7.848 94 HA GLN 61 HA GLN 61 9.591 -16.169 -6.281 95 HB2 GLN 61 HB2 GLN 61 12.243 -17.524 -5.829 96 HB3 GLN 61 HB3 GLN 61 11.239 -16.679 -4.657 97 HG2 GLN 61 HG2 GLN 61 9.570 -18.442 -4.793 98 HG3 GLN 61 HG3 GLN 61 10.545 -19.283 -5.997 99 HE21 GLN 61 HE21 GLN 61 11.720 -20.877 -5.237 100 HE22 GLN 61 HE22 GLN 61 12.338 -21.017 -3.630 101 H ALA 62 H ALA 62 10.511 -15.629 -9.003 102 HA ALA 62 HA ALA 62 12.495 -13.556 -8.355 103 HB1 ALA 62 HB1 ALA 62 12.487 -15.204 -10.881 104 HB2 ALA 62 HB2 ALA 62 13.620 -13.915 -10.471 105 HB3 ALA 62 HB3 ALA 62 13.607 -15.408 -9.533 106 H GLU 63 H GLU 63 12.583 -11.864 -10.151 107 HA GLU 63 HA GLU 63 10.087 -10.645 -10.402 108 HB2 GLU 63 HB2 GLU 63 12.692 -10.225 -11.852 109 HB3 GLU 63 HB3 GLU 63 11.274 -9.243 -12.191 110 HG2 GLU 63 HG2 GLU 63 11.499 -8.046 -10.319 111 HG3 GLU 63 HG3 GLU 63 11.934 -9.454 -9.350 112 H ALA 64 H ALA 64 8.419 -11.031 -11.689 113 HA ALA 64 HA ALA 64 8.767 -12.820 -13.973 114 HB1 ALA 64 HB1 ALA 64 6.081 -12.305 -13.813 115 HB2 ALA 64 HB2 ALA 64 6.912 -13.663 -13.054 116 HB3 ALA 64 HB3 ALA 64 6.593 -12.195 -12.129 117 H LYS 65 H LYS 65 9.299 -11.832 -15.814 118 HA LYS 65 HA LYS 65 8.806 -9.133 -16.422 119 HB2 LYS 65 HB2 LYS 65 9.245 -11.323 -18.450 120 HB3 LYS 65 HB3 LYS 65 9.643 -9.618 -18.606 121 HG2 LYS 65 HG2 LYS 65 11.689 -10.089 -17.914 122 HG3 LYS 65 HG3 LYS 65 11.018 -10.512 -16.338 123 HD2 LYS 65 HD2 LYS 65 10.540 -12.718 -18.009 124 HD3 LYS 65 HD3 LYS 65 12.201 -12.211 -18.330 125 HE2 LYS 65 HE2 LYS 65 11.392 -12.306 -15.492 126 HE3 LYS 65 HE3 LYS 65 11.500 -13.860 -16.319 127 HZ1 LYS 65 HZ1 LYS 65 13.770 -12.691 -17.103 128 HZ2 LYS 65 HZ2 LYS 65 13.649 -13.703 -15.753 129 HZ3 LYS 65 HZ3 LYS 65 13.604 -12.024 -15.557 130 H CYS 66 H CYS 66 7.317 -12.030 -17.886 131 HA CYS 66 HA CYS 66 4.853 -10.463 -18.247 132 HB2 CYS 66 HB2 CYS 66 6.416 -12.008 -20.252 133 HB3 CYS 66 HB3 CYS 66 4.662 -12.102 -20.352 134 HG CYS 66 HG CYS 66 4.200 -9.549 -21.000 135 HA PRO 67 HA PRO 67 4.062 -14.442 -15.962 136 HB2 PRO 67 HB2 PRO 67 2.599 -13.300 -13.983 137 HB3 PRO 67 HB3 PRO 67 4.359 -13.439 -13.917 138 HG2 PRO 67 HG2 PRO 67 2.673 -11.086 -14.680 139 HG3 PRO 67 HG3 PRO 67 4.125 -11.139 -13.664 140 HD2 PRO 67 HD2 PRO 67 4.188 -10.356 -16.255 141 HD3 PRO 67 HD3 PRO 67 5.546 -11.197 -15.479 142 H LYS 68 H LYS 68 2.111 -15.587 -15.846 143 HA LYS 68 HA LYS 68 -0.270 -14.240 -16.920 144 HB2 LYS 68 HB2 LYS 68 0.519 -17.024 -17.760 145 HB3 LYS 68 HB3 LYS 68 -0.714 -15.985 -18.464 146 HG2 LYS 68 HG2 LYS 68 2.261 -15.533 -18.590 147 HG3 LYS 68 HG3 LYS 68 1.240 -16.134 -19.899 148 HD2 LYS 68 HD2 LYS 68 0.142 -13.699 -18.864 149 HD3 LYS 68 HD3 LYS 68 1.844 -13.458 -19.262 150 HE2 LYS 68 HE2 LYS 68 1.510 -14.114 -21.506 151 HE3 LYS 68 HE3 LYS 68 -0.084 -14.777 -21.154 152 HZ1 LYS 68 HZ1 LYS 68 -0.977 -12.823 -21.619 153 HZ2 LYS 68 HZ2 LYS 68 0.547 -12.203 -22.009 154 HZ3 LYS 68 HZ3 LYS 68 -0.043 -12.065 -20.429 155 H LEU 69 H LEU 69 -2.284 -15.291 -16.409 156 HA LEU 69 HA LEU 69 -2.233 -16.477 -13.774 157 HB2 LEU 69 HB2 LEU 69 -4.536 -15.770 -15.587 158 HB3 LEU 69 HB3 LEU 69 -4.689 -16.322 -13.920 159 HG LEU 69 HG LEU 69 -3.482 -13.725 -14.865 160 HD11 LEU 69 HD11 LEU 69 -5.910 -14.255 -13.164 161 HD12 LEU 69 HD12 LEU 69 -5.955 -13.882 -14.885 162 HD13 LEU 69 HD13 LEU 69 -5.335 -12.692 -13.742 163 HD21 LEU 69 HD21 LEU 69 -3.147 -15.216 -12.385 164 HD22 LEU 69 HD22 LEU 69 -3.763 -13.582 -12.135 165 HD23 LEU 69 HD23 LEU 69 -2.249 -13.831 -13.006 166 H LEU 70 H LEU 70 -3.392 -18.434 -13.234 167 HA LEU 70 HA LEU 70 -3.281 -20.412 -15.412 168 HB2 LEU 70 HB2 LEU 70 -2.539 -20.484 -12.554 169 HB3 LEU 70 HB3 LEU 70 -3.306 -21.935 -13.197 170 HG LEU 70 HG LEU 70 -1.276 -21.207 -15.019 171 HD11 LEU 70 HD11 LEU 70 0.446 -20.415 -13.867 172 HD12 LEU 70 HD12 LEU 70 0.292 -21.693 -12.661 173 HD13 LEU 70 HD13 LEU 70 -0.633 -20.202 -12.488 174 HD21 LEU 70 HD21 LEU 70 -0.367 -23.348 -13.489 175 HD22 LEU 70 HD22 LEU 70 -1.315 -23.430 -14.975 176 HD23 LEU 70 HD23 LEU 70 -2.127 -23.446 -13.408 177 HA PRO 71 HA PRO 71 -7.543 -21.379 -15.024 178 HB2 PRO 71 HB2 PRO 71 -7.570 -24.087 -15.193 179 HB3 PRO 71 HB3 PRO 71 -7.222 -23.042 -16.575 180 HG2 PRO 71 HG2 PRO 71 -5.325 -24.520 -14.792 181 HG3 PRO 71 HG3 PRO 71 -5.296 -24.344 -16.557 182 HD2 PRO 71 HD2 PRO 71 -3.726 -22.867 -14.920 183 HD3 PRO 71 HD3 PRO 71 -4.355 -22.243 -16.459 184 H CYS 72 H CYS 72 -5.347 -22.362 -12.642 185 HA CYS 72 HA CYS 72 -7.462 -23.435 -10.913 186 HB2 CYS 72 HB2 CYS 72 -4.453 -23.556 -10.774 187 HB3 CYS 72 HB3 CYS 72 -5.471 -24.004 -9.410 188 H LEU 73 H LEU 73 -4.517 -21.663 -10.055 189 HA LEU 73 HA LEU 73 -5.622 -19.207 -9.409 190 HB2 LEU 73 HB2 LEU 73 -5.679 -19.491 -6.878 191 HB3 LEU 73 HB3 LEU 73 -7.042 -20.118 -7.802 192 HG LEU 73 HG LEU 73 -5.703 -22.372 -7.654 193 HD11 LEU 73 HD11 LEU 73 -4.569 -22.524 -5.429 194 HD12 LEU 73 HD12 LEU 73 -4.607 -20.762 -5.358 195 HD13 LEU 73 HD13 LEU 73 -3.704 -21.573 -6.637 196 HD21 LEU 73 HD21 LEU 73 -7.938 -21.903 -6.714 197 HD22 LEU 73 HD22 LEU 73 -7.168 -21.246 -5.269 198 HD23 LEU 73 HD23 LEU 73 -6.967 -22.951 -5.680 199 H HIS 74 H HIS 74 -3.217 -20.195 -10.433 200 HA HIS 74 HA HIS 74 -1.303 -19.299 -8.379 201 HB2 HIS 74 HB2 HIS 74 -0.347 -21.018 -10.610 202 HB3 HIS 74 HB3 HIS 74 0.206 -20.931 -8.939 203 HD1 HIS 74 HD1 HIS 74 -1.643 -22.002 -7.168 204 HD2 HIS 74 HD2 HIS 74 -1.795 -23.238 -11.132 205 HE1 HIS 74 HE1 HIS 74 -2.929 -24.162 -7.150 206 H THR 75 H THR 75 0.704 -18.341 -9.303 207 HA THR 75 HA THR 75 0.185 -16.951 -11.848 208 HB THR 75 HB THR 75 1.347 -15.718 -9.344 209 HG1 THR 75 HG1 THR 75 -0.646 -15.115 -9.010 210 HG21 THR 75 HG21 THR 75 1.362 -14.895 -12.181 211 HG22 THR 75 HG22 THR 75 2.473 -14.481 -10.874 212 HG23 THR 75 HG23 THR 75 0.925 -13.646 -11.015 213 H LEU 76 H LEU 76 1.662 -17.631 -13.252 214 HA LEU 76 HA LEU 76 4.394 -18.152 -12.289 215 HB2 LEU 76 HB2 LEU 76 2.641 -19.477 -14.211 216 HB3 LEU 76 HB3 LEU 76 4.264 -19.182 -14.832 217 HG LEU 76 HG LEU 76 5.207 -20.423 -12.939 218 HD11 LEU 76 HD11 LEU 76 4.014 -20.699 -11.093 219 HD12 LEU 76 HD12 LEU 76 2.967 -21.815 -11.971 220 HD13 LEU 76 HD13 LEU 76 2.561 -20.101 -11.895 221 HD21 LEU 76 HD21 LEU 76 3.202 -22.337 -13.928 222 HD22 LEU 76 HD22 LEU 76 4.964 -22.401 -13.989 223 HD23 LEU 76 HD23 LEU 76 4.075 -21.440 -15.172 224 H CYS 77 H CYS 77 6.078 -17.814 -14.096 225 HA CYS 77 HA CYS 77 5.704 -15.095 -15.105 226 HB2 CYS 77 HB2 CYS 77 8.140 -15.076 -15.391 227 HB3 CYS 77 HB3 CYS 77 7.701 -15.533 -13.748 228 H SER 78 H SER 78 6.641 -14.574 -17.254 229 HA SER 78 HA SER 78 5.395 -15.896 -19.306 230 HB2 SER 78 HB2 SER 78 6.164 -14.031 -20.291 231 HB3 SER 78 HB3 SER 78 7.426 -13.839 -19.075 232 HG SER 78 HG SER 78 7.556 -14.928 -21.599 233 H GLY 79 H GLY 79 8.866 -16.179 -18.509 234 HA2 GLY 79 HA2 GLY 79 9.535 -18.166 -20.314 235 HA3 GLY 79 HA3 GLY 79 10.326 -17.934 -18.762 236 H CYS 80 H CYS 80 7.865 -18.465 -17.251 237 HA CYS 80 HA CYS 80 8.150 -21.302 -17.059 238 HB2 CYS 80 HB2 CYS 80 6.772 -19.169 -15.564 239 HB3 CYS 80 HB3 CYS 80 5.971 -20.736 -15.519 240 H LEU 81 H LEU 81 5.799 -19.121 -18.465 241 HA LEU 81 HA LEU 81 3.741 -21.020 -18.875 242 HB2 LEU 81 HB2 LEU 81 4.309 -18.269 -19.632 243 HB3 LEU 81 HB3 LEU 81 3.458 -19.158 -20.893 244 HG LEU 81 HG LEU 81 1.867 -17.974 -19.531 245 HD11 LEU 81 HD11 LEU 81 1.103 -20.431 -18.354 246 HD12 LEU 81 HD12 LEU 81 1.880 -20.794 -19.895 247 HD13 LEU 81 HD13 LEU 81 0.504 -19.692 -19.839 248 HD21 LEU 81 HD21 LEU 81 3.397 -19.212 -17.292 249 HD22 LEU 81 HD22 LEU 81 1.681 -18.869 -17.076 250 HD23 LEU 81 HD23 LEU 81 2.799 -17.563 -17.472 251 H GLU 82 H GLU 82 6.431 -19.905 -20.883 252 HA GLU 82 HA GLU 82 5.676 -21.589 -23.098 253 HB2 GLU 82 HB2 GLU 82 7.014 -19.313 -23.072 254 HB3 GLU 82 HB3 GLU 82 8.397 -20.377 -22.855 255 HG2 GLU 82 HG2 GLU 82 8.078 -21.407 -24.927 256 HG3 GLU 82 HG3 GLU 82 6.431 -20.798 -25.074 257 H ALA 83 H ALA 83 8.380 -21.520 -20.781 258 HA ALA 83 HA ALA 83 9.560 -23.931 -21.640 259 HB1 ALA 83 HB1 ALA 83 9.747 -22.784 -18.864 260 HB2 ALA 83 HB2 ALA 83 10.922 -23.798 -19.702 261 HB3 ALA 83 HB3 ALA 83 10.642 -22.142 -20.241 262 H SER 84 H SER 84 7.541 -23.275 -18.771 263 HA SER 84 HA SER 84 7.183 -26.112 -18.313 264 HB2 SER 84 HB2 SER 84 5.544 -24.186 -16.778 265 HB3 SER 84 HB3 SER 84 6.519 -25.542 -16.212 266 HG SER 84 HG SER 84 8.063 -24.188 -15.806 267 H GLY 85 H GLY 85 6.013 -24.450 -20.658 268 HA2 GLY 85 HA2 GLY 85 3.967 -24.199 -21.738 269 HA3 GLY 85 HA3 GLY 85 3.930 -25.931 -21.439 270 H MET 86 H MET 86 3.295 -22.893 -19.676 271 HA MET 86 HA MET 86 1.737 -22.395 -18.077 272 HB2 MET 86 HB2 MET 86 -0.548 -22.709 -18.790 273 HB3 MET 86 HB3 MET 86 0.436 -22.299 -20.189 274 HG2 MET 86 HG2 MET 86 0.366 -24.488 -21.020 275 HG3 MET 86 HG3 MET 86 -0.208 -25.139 -19.486 276 HE1 MET 86 HE1 MET 86 -2.590 -22.798 -22.602 277 HE2 MET 86 HE2 MET 86 -1.936 -21.823 -21.287 278 HE3 MET 86 HE3 MET 86 -0.850 -22.757 -22.317 279 H GLN 87 H GLN 87 3.246 -24.688 -17.427 280 HA GLN 87 HA GLN 87 1.722 -26.905 -16.646 281 HB2 GLN 87 HB2 GLN 87 4.410 -25.895 -16.182 282 HB3 GLN 87 HB3 GLN 87 3.763 -26.712 -14.766 283 HG2 GLN 87 HG2 GLN 87 3.856 -28.734 -15.726 284 HG3 GLN 87 HG3 GLN 87 3.349 -28.126 -17.301 285 HE21 GLN 87 HE21 GLN 87 6.117 -27.907 -15.089 286 HE22 GLN 87 HE22 GLN 87 7.326 -28.042 -16.316 287 H CYS 88 H CYS 88 2.093 -27.360 -13.993 288 HA CYS 88 HA CYS 88 0.774 -25.153 -12.583 289 HB2 CYS 88 HB2 CYS 88 -0.579 -27.448 -13.464 290 HB3 CYS 88 HB3 CYS 88 -0.315 -27.697 -11.741 291 HA PRO 89 HA PRO 89 4.250 -27.157 -10.195 292 HB2 PRO 89 HB2 PRO 89 5.568 -24.841 -9.674 293 HB3 PRO 89 HB3 PRO 89 5.841 -25.793 -11.137 294 HG2 PRO 89 HG2 PRO 89 4.158 -23.347 -10.757 295 HG3 PRO 89 HG3 PRO 89 5.261 -23.750 -12.086 296 HD2 PRO 89 HD2 PRO 89 2.576 -24.050 -12.278 297 HD3 PRO 89 HD3 PRO 89 3.719 -25.119 -13.117 298 H ILE 90 H ILE 90 2.627 -24.047 -9.583 299 HA ILE 90 HA ILE 90 2.903 -24.175 -6.761 300 HB ILE 90 HB ILE 90 0.781 -22.624 -8.234 301 HG12 ILE 90 HG12 ILE 90 2.993 -22.245 -9.283 302 HG13 ILE 90 HG13 ILE 90 2.381 -20.806 -8.474 303 HG21 ILE 90 HG21 ILE 90 0.520 -22.624 -5.843 304 HG22 ILE 90 HG22 ILE 90 2.216 -22.200 -5.618 305 HG23 ILE 90 HG23 ILE 90 1.109 -21.041 -6.351 306 HD11 ILE 90 HD11 ILE 90 3.916 -21.003 -6.726 307 HD12 ILE 90 HD12 ILE 90 4.295 -22.677 -7.130 308 HD13 ILE 90 HD13 ILE 90 4.841 -21.370 -8.181 309 H CYS 91 H CYS 91 0.841 -25.763 -8.942 310 HA CYS 91 HA CYS 91 -1.546 -26.020 -7.559 311 HB2 CYS 91 HB2 CYS 91 -0.575 -27.036 -9.877 312 HB3 CYS 91 HB3 CYS 91 -0.551 -28.479 -8.867 313 H GLN 92 H GLN 92 1.556 -27.300 -6.807 314 HA GLN 92 HA GLN 92 0.806 -29.528 -5.257 315 HB2 GLN 92 HB2 GLN 92 3.240 -27.754 -5.235 316 HB3 GLN 92 HB3 GLN 92 3.071 -29.119 -4.140 317 HG2 GLN 92 HG2 GLN 92 2.735 -29.512 -7.078 318 HG3 GLN 92 HG3 GLN 92 4.347 -29.405 -6.375 319 HE21 GLN 92 HE21 GLN 92 3.596 -31.673 -7.653 320 HE22 GLN 92 HE22 GLN 92 3.374 -32.954 -6.516 321 H ALA 93 H ALA 93 0.414 -26.208 -4.714 322 HA ALA 93 HA ALA 93 0.009 -26.662 -1.830 323 HB1 ALA 93 HB1 ALA 93 1.778 -25.013 -2.423 324 HB2 ALA 93 HB2 ALA 93 0.531 -24.017 -3.174 325 HB3 ALA 93 HB3 ALA 93 0.473 -24.346 -1.443 326 HA PRO 94 HA PRO 94 -4.233 -26.088 -3.418 327 HB2 PRO 94 HB2 PRO 94 -5.393 -27.507 -1.415 328 HB3 PRO 94 HB3 PRO 94 -4.693 -28.266 -2.850 329 HG2 PRO 94 HG2 PRO 94 -3.518 -27.938 -0.115 330 HG3 PRO 94 HG3 PRO 94 -3.484 -29.352 -1.186 331 HD2 PRO 94 HD2 PRO 94 -1.381 -27.665 -0.934 332 HD3 PRO 94 HD3 PRO 94 -1.751 -28.510 -2.451 333 H TRP 95 H TRP 95 -4.122 -23.837 -2.903 334 HA TRP 95 HA TRP 95 -5.271 -23.213 -0.267 335 HB2 TRP 95 HB2 TRP 95 -3.883 -21.337 0.027 336 HB3 TRP 95 HB3 TRP 95 -2.795 -22.593 -0.556 337 HD1 TRP 95 HD1 TRP 95 -2.825 -22.461 -3.548 338 HE1 TRP 95 HE1 TRP 95 -2.207 -20.347 -4.880 339 HE3 TRP 95 HE3 TRP 95 -3.621 -18.951 0.084 340 HZ2 TRP 95 HZ2 TRP 95 -2.073 -17.560 -4.447 341 HZ3 TRP 95 HZ3 TRP 95 -3.224 -16.584 -0.456 342 HH2 TRP 95 HH2 TRP 95 -2.466 -15.905 -2.676 343 HA PRO 96 HA PRO 96 -8.385 -20.966 -2.389 344 HB2 PRO 96 HB2 PRO 96 -8.857 -18.917 -0.671 345 HB3 PRO 96 HB3 PRO 96 -9.352 -20.581 -0.341 346 HG2 PRO 96 HG2 PRO 96 -6.959 -19.084 0.654 347 HG3 PRO 96 HG3 PRO 96 -8.050 -20.164 1.540 348 HD2 PRO 96 HD2 PRO 96 -5.625 -20.962 0.640 349 HD3 PRO 96 HD3 PRO 96 -7.011 -22.065 0.753 350 H LEU 97 H LEU 97 -8.953 -18.830 -3.306 351 HA LEU 97 HA LEU 97 -6.683 -17.006 -3.619 352 HB2 LEU 97 HB2 LEU 97 -6.803 -16.983 -5.976 353 HB3 LEU 97 HB3 LEU 97 -6.733 -18.676 -5.492 354 HG LEU 97 HG LEU 97 -9.380 -17.404 -6.050 355 HD11 LEU 97 HD11 LEU 97 -8.547 -16.823 -8.077 356 HD12 LEU 97 HD12 LEU 97 -8.888 -18.520 -8.415 357 HD13 LEU 97 HD13 LEU 97 -7.247 -18.013 -8.012 358 HD21 LEU 97 HD21 LEU 97 -10.140 -19.509 -6.012 359 HD22 LEU 97 HD22 LEU 97 -8.615 -19.892 -5.213 360 HD23 LEU 97 HD23 LEU 97 -8.781 -20.118 -6.956 361 H GLY 98 H GLY 98 -7.474 -15.051 -5.043 362 HA2 GLY 98 HA2 GLY 98 -10.282 -14.413 -4.651 363 HA3 GLY 98 HA3 GLY 98 -9.155 -13.462 -3.696 364 H ALA 99 H ALA 99 -7.521 -12.219 -4.858 365 HA ALA 99 HA ALA 99 -8.625 -11.182 -7.366 366 HB1 ALA 99 HB1 ALA 99 -8.272 -9.252 -6.306 367 HB2 ALA 99 HB2 ALA 99 -7.232 -10.010 -5.099 368 HB3 ALA 99 HB3 ALA 99 -6.561 -9.505 -6.649 369 H ASP 100 H ASP 100 -7.831 -12.188 -9.103 370 HA ASP 100 HA ASP 100 -4.924 -12.665 -9.219 371 HB2 ASP 100 HB2 ASP 100 -7.192 -14.236 -10.449 372 HB3 ASP 100 HB3 ASP 100 -5.505 -14.458 -10.905 373 H THR 101 H THR 101 -4.012 -11.145 -10.430 374 HA THR 101 HA THR 101 -5.128 -10.608 -13.081 375 HB THR 101 HB THR 101 -4.166 -8.118 -12.297 376 HG1 THR 101 HG1 THR 101 -6.035 -8.865 -10.325 377 HG21 THR 101 HG21 THR 101 -6.353 -9.100 -13.546 378 HG22 THR 101 HG22 THR 101 -6.182 -7.418 -13.046 379 HG23 THR 101 HG23 THR 101 -7.070 -8.555 -12.030 380 HA PRO 102 HA PRO 102 -0.946 -10.819 -14.408 381 HB2 PRO 102 HB2 PRO 102 -0.997 -9.153 -16.551 382 HB3 PRO 102 HB3 PRO 102 -1.753 -10.751 -16.558 383 HG2 PRO 102 HG2 PRO 102 -3.005 -8.063 -16.143 384 HG3 PRO 102 HG3 PRO 102 -3.586 -9.430 -17.110 385 HD2 PRO 102 HD2 PRO 102 -4.549 -8.880 -14.640 386 HD3 PRO 102 HD3 PRO 102 -4.431 -10.534 -15.272 387 H ALA 103 H ALA 103 0.737 -9.066 -15.464 388 HA ALA 103 HA ALA 103 0.924 -6.919 -13.454 389 HB1 ALA 103 HB1 ALA 103 3.012 -7.542 -13.022 390 HB2 ALA 103 HB2 ALA 103 2.729 -8.968 -14.022 391 HB3 ALA 103 HB3 ALA 103 3.435 -7.517 -14.734 392 H LEU 104 H LEU 104 -0.091 -5.300 -14.616 393 HA LEU 104 HA LEU 104 -0.368 -3.655 -16.167 394 HB2 LEU 104 HB2 LEU 104 2.562 -4.001 -15.885 395 HB3 LEU 104 HB3 LEU 104 1.991 -3.004 -17.221 396 HG LEU 104 HG LEU 104 2.620 -1.747 -15.152 397 HD11 LEU 104 HD11 LEU 104 0.724 -0.249 -15.244 398 HD12 LEU 104 HD12 LEU 104 -0.267 -1.506 -15.987 399 HD13 LEU 104 HD13 LEU 104 1.107 -0.833 -16.864 400 HD21 LEU 104 HD21 LEU 104 1.774 -3.380 -13.525 401 HD22 LEU 104 HD22 LEU 104 0.124 -3.026 -14.040 402 HD23 LEU 104 HD23 LEU 104 1.095 -1.773 -13.263 Start of MODEL 20 1 H1 GLU 49 H GLU 49 2.029 6.169 -3.923 2 HA GLU 49 HA GLU 49 3.195 5.486 -6.261 3 HB2 GLU 49 HB2 GLU 49 4.558 6.950 -3.994 4 HB3 GLU 49 HB3 GLU 49 5.079 6.972 -5.673 5 HG2 GLU 49 HG2 GLU 49 3.258 8.240 -6.355 6 HG3 GLU 49 HG3 GLU 49 2.318 7.838 -4.918 7 H GLU 50 H GLU 50 4.047 3.566 -6.762 8 HA GLU 50 HA GLU 50 6.020 2.391 -4.919 9 HB2 GLU 50 HB2 GLU 50 3.812 1.161 -5.677 10 HB3 GLU 50 HB3 GLU 50 4.757 0.809 -7.116 11 HG2 GLU 50 HG2 GLU 50 4.842 -0.993 -5.453 12 HG3 GLU 50 HG3 GLU 50 6.430 -0.315 -5.807 13 H GLU 51 H GLU 51 7.800 1.183 -5.954 14 HA GLU 51 HA GLU 51 9.227 2.787 -7.748 15 HB2 GLU 51 HB2 GLU 51 9.567 0.034 -6.653 16 HB3 GLU 51 HB3 GLU 51 10.553 0.504 -8.031 17 HG2 GLU 51 HG2 GLU 51 11.352 2.456 -6.748 18 HG3 GLU 51 HG3 GLU 51 10.435 1.877 -5.357 19 H PHE 52 H PHE 52 7.518 -0.283 -8.296 20 HA PHE 52 HA PHE 52 6.715 0.444 -10.913 21 HB2 PHE 52 HB2 PHE 52 9.295 -0.262 -10.974 22 HB3 PHE 52 HB3 PHE 52 8.579 -1.868 -11.073 23 HD1 PHE 52 HD2 PHE 52 8.397 1.498 -12.651 24 HD2 PHE 52 HD1 PHE 52 7.938 -2.707 -13.125 25 HE1 PHE 52 HE2 PHE 52 8.038 1.813 -15.065 26 HE2 PHE 52 HE1 PHE 52 7.578 -2.399 -15.539 27 HZ PHE 52 HZ PHE 52 7.626 -0.136 -16.513 28 H GLN 53 H GLN 53 4.894 -0.626 -11.316 29 HA GLN 53 HA GLN 53 3.914 -2.609 -9.561 30 HB2 GLN 53 HB2 GLN 53 2.387 -1.135 -10.716 31 HB3 GLN 53 HB3 GLN 53 2.946 -1.717 -12.279 32 HG2 GLN 53 HG2 GLN 53 1.655 -3.547 -12.209 33 HG3 GLN 53 HG3 GLN 53 1.922 -3.796 -10.484 34 HE21 GLN 53 HE21 GLN 53 0.583 -1.055 -12.282 35 HE22 GLN 53 HE22 GLN 53 -0.939 -1.039 -11.465 36 H PHE 54 H PHE 54 4.864 -4.548 -9.443 37 HA PHE 54 HA PHE 54 4.844 -6.235 -11.802 38 HB2 PHE 54 HB2 PHE 54 7.121 -6.744 -11.878 39 HB3 PHE 54 HB3 PHE 54 7.121 -5.006 -11.598 40 HD1 PHE 54 HD2 PHE 54 6.683 -4.707 -8.786 41 HD2 PHE 54 HD1 PHE 54 8.949 -7.666 -10.842 42 HE1 PHE 54 HE2 PHE 54 8.072 -5.029 -6.782 43 HE2 PHE 54 HE1 PHE 54 10.342 -7.994 -8.840 44 HZ PHE 54 HZ PHE 54 9.906 -6.674 -6.808 45 H LEU 55 H LEU 55 5.019 -8.483 -11.316 46 HA LEU 55 HA LEU 55 4.293 -9.086 -8.536 47 HB2 LEU 55 HB2 LEU 55 3.974 -10.912 -10.899 48 HB3 LEU 55 HB3 LEU 55 3.178 -11.011 -9.330 49 HG LEU 55 HG LEU 55 2.673 -8.706 -11.183 50 HD11 LEU 55 HD11 LEU 55 0.528 -10.230 -11.624 51 HD12 LEU 55 HD12 LEU 55 1.734 -11.501 -11.420 52 HD13 LEU 55 HD13 LEU 55 1.956 -10.266 -12.659 53 HD21 LEU 55 HD21 LEU 55 0.382 -9.405 -9.795 54 HD22 LEU 55 HD22 LEU 55 1.479 -8.078 -9.411 55 HD23 LEU 55 HD23 LEU 55 1.680 -9.646 -8.626 56 H ARG 56 H ARG 56 4.794 -11.766 -8.421 57 HA ARG 56 HA ARG 56 7.594 -12.187 -9.108 58 HB2 ARG 56 HB2 ARG 56 7.515 -11.076 -6.853 59 HB3 ARG 56 HB3 ARG 56 6.634 -12.478 -6.260 60 HG2 ARG 56 HG2 ARG 56 9.056 -13.258 -7.625 61 HG3 ARG 56 HG3 ARG 56 9.383 -12.130 -6.308 62 HD2 ARG 56 HD2 ARG 56 7.838 -14.713 -6.120 63 HD3 ARG 56 HD3 ARG 56 9.463 -14.420 -5.505 64 HE ARG 56 HE ARG 56 7.677 -12.556 -4.381 65 HH11 ARG 56 HH11 ARG 56 8.494 -15.938 -4.253 66 HH12 ARG 56 HH12 ARG 56 7.970 -16.135 -2.614 67 HH21 ARG 56 HH21 ARG 56 6.982 -12.804 -2.223 68 HH22 ARG 56 HH22 ARG 56 7.109 -14.354 -1.460 69 H CYS 57 H CYS 57 7.651 -14.108 -10.052 70 HA CYS 57 HA CYS 57 5.662 -15.996 -10.133 71 HB2 CYS 57 HB2 CYS 57 7.792 -15.856 -11.538 72 HB3 CYS 57 HB3 CYS 57 8.584 -16.736 -10.236 73 H GLN 58 H GLN 58 4.779 -17.264 -8.651 74 HA GLN 58 HA GLN 58 5.979 -17.601 -6.066 75 HB2 GLN 58 HB2 GLN 58 3.408 -18.428 -7.348 76 HB3 GLN 58 HB3 GLN 58 3.910 -19.219 -5.860 77 HG2 GLN 58 HG2 GLN 58 4.030 -16.278 -5.850 78 HG3 GLN 58 HG3 GLN 58 2.419 -16.988 -5.948 79 HE21 GLN 58 HE21 GLN 58 5.286 -16.632 -4.020 80 HE22 GLN 58 HE22 GLN 58 4.608 -17.206 -2.539 81 H GLN 59 H GLN 59 6.641 -19.043 -8.904 82 HA GLN 59 HA GLN 59 7.263 -21.629 -7.637 83 HB2 GLN 59 HB2 GLN 59 6.628 -22.751 -9.496 84 HB3 GLN 59 HB3 GLN 59 5.666 -21.308 -9.790 85 HG2 GLN 59 HG2 GLN 59 6.657 -21.267 -11.779 86 HG3 GLN 59 HG3 GLN 59 8.058 -20.634 -10.914 87 HE21 GLN 59 HE21 GLN 59 9.871 -21.829 -10.796 88 HE22 GLN 59 HE22 GLN 59 10.052 -23.403 -11.483 89 H CYS 60 H CYS 60 8.482 -18.852 -9.238 90 HA CYS 60 HA CYS 60 11.126 -20.118 -9.523 91 HB2 CYS 60 HB2 CYS 60 9.766 -17.894 -10.998 92 HB3 CYS 60 HB3 CYS 60 11.524 -17.926 -10.914 93 H GLN 61 H GLN 61 9.313 -17.773 -7.814 94 HA GLN 61 HA GLN 61 9.828 -16.283 -6.173 95 HB2 GLN 61 HB2 GLN 61 12.455 -17.734 -5.903 96 HB3 GLN 61 HB3 GLN 61 11.566 -16.865 -4.659 97 HG2 GLN 61 HG2 GLN 61 9.829 -18.554 -4.682 98 HG3 GLN 61 HG3 GLN 61 10.653 -19.408 -5.986 99 HE21 GLN 61 HE21 GLN 61 11.516 -21.195 -5.228 100 HE22 GLN 61 HE22 GLN 61 12.377 -21.362 -3.740 101 H ALA 62 H ALA 62 10.456 -15.522 -8.826 102 HA ALA 62 HA ALA 62 12.525 -13.535 -8.261 103 HB1 ALA 62 HB1 ALA 62 13.599 -15.432 -9.464 104 HB2 ALA 62 HB2 ALA 62 12.517 -15.124 -10.822 105 HB3 ALA 62 HB3 ALA 62 13.682 -13.896 -10.327 106 H GLU 63 H GLU 63 12.631 -12.032 -10.367 107 HA GLU 63 HA GLU 63 10.112 -10.751 -10.496 108 HB2 GLU 63 HB2 GLU 63 12.709 -10.379 -11.964 109 HB3 GLU 63 HB3 GLU 63 11.284 -9.440 -12.390 110 HG2 GLU 63 HG2 GLU 63 11.395 -8.169 -10.535 111 HG3 GLU 63 HG3 GLU 63 11.982 -9.492 -9.530 112 H ALA 64 H ALA 64 8.456 -10.976 -11.861 113 HA ALA 64 HA ALA 64 8.788 -12.825 -14.126 114 HB1 ALA 64 HB1 ALA 64 7.121 -13.290 -12.216 115 HB2 ALA 64 HB2 ALA 64 6.135 -12.041 -12.977 116 HB3 ALA 64 HB3 ALA 64 6.574 -13.491 -13.880 117 H LYS 65 H LYS 65 9.065 -11.794 -15.990 118 HA LYS 65 HA LYS 65 8.383 -9.109 -16.476 119 HB2 LYS 65 HB2 LYS 65 9.130 -11.405 -18.269 120 HB3 LYS 65 HB3 LYS 65 8.704 -9.833 -18.935 121 HG2 LYS 65 HG2 LYS 65 10.613 -8.846 -18.197 122 HG3 LYS 65 HG3 LYS 65 10.749 -9.903 -16.791 123 HD2 LYS 65 HD2 LYS 65 11.196 -10.850 -19.614 124 HD3 LYS 65 HD3 LYS 65 12.493 -10.236 -18.585 125 HE2 LYS 65 HE2 LYS 65 11.942 -11.974 -16.918 126 HE3 LYS 65 HE3 LYS 65 10.718 -12.610 -18.017 127 HZ1 LYS 65 HZ1 LYS 65 12.404 -13.919 -18.671 128 HZ2 LYS 65 HZ2 LYS 65 13.605 -12.868 -18.112 129 HZ3 LYS 65 HZ3 LYS 65 12.858 -12.583 -19.603 130 H CYS 66 H CYS 66 6.997 -11.956 -18.119 131 HA CYS 66 HA CYS 66 4.425 -10.519 -18.209 132 HB2 CYS 66 HB2 CYS 66 5.918 -12.028 -20.277 133 HB3 CYS 66 HB3 CYS 66 4.176 -12.278 -20.241 134 HG CYS 66 HG CYS 66 3.723 -9.414 -20.363 135 HA PRO 67 HA PRO 67 3.887 -14.431 -15.750 136 HB2 PRO 67 HB2 PRO 67 2.480 -13.260 -13.745 137 HB3 PRO 67 HB3 PRO 67 4.247 -13.333 -13.764 138 HG2 PRO 67 HG2 PRO 67 2.436 -11.077 -14.532 139 HG3 PRO 67 HG3 PRO 67 3.938 -11.035 -13.590 140 HD2 PRO 67 HD2 PRO 67 3.842 -10.359 -16.210 141 HD3 PRO 67 HD3 PRO 67 5.268 -11.116 -15.471 142 H LYS 68 H LYS 68 2.036 -15.677 -15.624 143 HA LYS 68 HA LYS 68 -0.434 -14.460 -16.671 144 HB2 LYS 68 HB2 LYS 68 0.563 -17.259 -17.228 145 HB3 LYS 68 HB3 LYS 68 -0.914 -16.538 -17.855 146 HG2 LYS 68 HG2 LYS 68 1.915 -15.744 -18.502 147 HG3 LYS 68 HG3 LYS 68 0.743 -16.511 -19.575 148 HD2 LYS 68 HD2 LYS 68 -0.647 -14.321 -18.842 149 HD3 LYS 68 HD3 LYS 68 0.999 -13.690 -18.744 150 HE2 LYS 68 HE2 LYS 68 -0.080 -15.155 -21.145 151 HE3 LYS 68 HE3 LYS 68 -0.145 -13.402 -20.968 152 HZ1 LYS 68 HZ1 LYS 68 1.924 -13.280 -21.702 153 HZ2 LYS 68 HZ2 LYS 68 1.976 -14.960 -21.896 154 HZ3 LYS 68 HZ3 LYS 68 2.470 -14.262 -20.436 155 H LEU 69 H LEU 69 -2.422 -15.483 -15.998 156 HA LEU 69 HA LEU 69 -2.197 -16.579 -13.291 157 HB2 LEU 69 HB2 LEU 69 -3.967 -14.744 -14.585 158 HB3 LEU 69 HB3 LEU 69 -4.896 -16.107 -13.964 159 HG LEU 69 HG LEU 69 -3.105 -14.279 -12.366 160 HD11 LEU 69 HD11 LEU 69 -4.989 -13.254 -11.564 161 HD12 LEU 69 HD12 LEU 69 -6.025 -14.639 -11.906 162 HD13 LEU 69 HD13 LEU 69 -5.488 -13.595 -13.222 163 HD21 LEU 69 HD21 LEU 69 -4.041 -16.955 -11.847 164 HD22 LEU 69 HD22 LEU 69 -4.701 -15.820 -10.670 165 HD23 LEU 69 HD23 LEU 69 -2.955 -15.940 -10.896 166 H LEU 70 H LEU 70 -1.786 -18.739 -13.668 167 HA LEU 70 HA LEU 70 -2.860 -20.425 -15.537 168 HB2 LEU 70 HB2 LEU 70 -1.946 -20.832 -12.727 169 HB3 LEU 70 HB3 LEU 70 -2.698 -22.171 -13.590 170 HG LEU 70 HG LEU 70 -0.244 -20.689 -14.532 171 HD11 LEU 70 HD11 LEU 70 -0.451 -23.390 -13.210 172 HD12 LEU 70 HD12 LEU 70 0.159 -21.925 -12.443 173 HD13 LEU 70 HD13 LEU 70 1.018 -22.624 -13.815 174 HD21 LEU 70 HD21 LEU 70 -0.028 -22.536 -16.102 175 HD22 LEU 70 HD22 LEU 70 -1.570 -21.707 -16.322 176 HD23 LEU 70 HD23 LEU 70 -1.513 -23.257 -15.480 177 HA PRO 71 HA PRO 71 -7.110 -21.117 -14.700 178 HB2 PRO 71 HB2 PRO 71 -7.370 -23.802 -15.014 179 HB3 PRO 71 HB3 PRO 71 -7.100 -22.698 -16.367 180 HG2 PRO 71 HG2 PRO 71 -5.134 -24.418 -14.904 181 HG3 PRO 71 HG3 PRO 71 -5.291 -24.135 -16.647 182 HD2 PRO 71 HD2 PRO 71 -3.434 -22.879 -15.129 183 HD3 PRO 71 HD3 PRO 71 -4.184 -22.116 -16.546 184 H CYS 72 H CYS 72 -4.750 -22.318 -12.625 185 HA CYS 72 HA CYS 72 -6.730 -23.374 -10.728 186 HB2 CYS 72 HB2 CYS 72 -3.735 -23.698 -10.915 187 HB3 CYS 72 HB3 CYS 72 -4.658 -24.194 -9.499 188 H LEU 73 H LEU 73 -5.829 -20.487 -11.417 189 HA LEU 73 HA LEU 73 -5.747 -18.515 -10.281 190 HB2 LEU 73 HB2 LEU 73 -6.067 -20.064 -7.728 191 HB3 LEU 73 HB3 LEU 73 -6.517 -18.391 -8.054 192 HG LEU 73 HG LEU 73 -7.923 -20.913 -8.868 193 HD11 LEU 73 HD11 LEU 73 -9.184 -20.336 -7.138 194 HD12 LEU 73 HD12 LEU 73 -9.683 -18.907 -8.043 195 HD13 LEU 73 HD13 LEU 73 -8.310 -18.816 -6.940 196 HD21 LEU 73 HD21 LEU 73 -9.454 -19.273 -10.133 197 HD22 LEU 73 HD22 LEU 73 -7.965 -19.807 -10.912 198 HD23 LEU 73 HD23 LEU 73 -8.045 -18.212 -10.159 199 H HIS 74 H HIS 74 -3.375 -20.077 -10.816 200 HA HIS 74 HA HIS 74 -1.647 -19.445 -8.535 201 HB2 HIS 74 HB2 HIS 74 -1.007 -21.002 -11.047 202 HB3 HIS 74 HB3 HIS 74 0.036 -20.827 -9.640 203 HD1 HIS 74 HD1 HIS 74 -2.786 -21.247 -7.849 204 HD2 HIS 74 HD2 HIS 74 -0.851 -23.826 -10.469 205 HE1 HIS 74 HE1 HIS 74 -3.539 -23.557 -7.198 206 H THR 75 H THR 75 0.534 -18.540 -9.077 207 HA THR 75 HA THR 75 0.325 -16.550 -11.243 208 HB THR 75 HB THR 75 1.662 -16.141 -8.561 209 HG1 THR 75 HG1 THR 75 -0.663 -14.835 -9.540 210 HG21 THR 75 HG21 THR 75 1.914 -14.785 -11.071 211 HG22 THR 75 HG22 THR 75 2.717 -14.440 -9.539 212 HG23 THR 75 HG23 THR 75 1.152 -13.710 -9.899 213 H LEU 76 H LEU 76 1.652 -17.304 -12.786 214 HA LEU 76 HA LEU 76 4.375 -18.097 -11.985 215 HB2 LEU 76 HB2 LEU 76 2.433 -19.337 -13.759 216 HB3 LEU 76 HB3 LEU 76 3.992 -19.078 -14.540 217 HG LEU 76 HG LEU 76 5.066 -20.336 -12.681 218 HD11 LEU 76 HD11 LEU 76 2.427 -20.113 -11.570 219 HD12 LEU 76 HD12 LEU 76 3.918 -20.671 -10.813 220 HD13 LEU 76 HD13 LEU 76 2.900 -21.808 -11.698 221 HD21 LEU 76 HD21 LEU 76 3.115 -22.288 -13.634 222 HD22 LEU 76 HD22 LEU 76 4.860 -22.214 -13.877 223 HD23 LEU 76 HD23 LEU 76 3.785 -21.274 -14.913 224 H CYS 77 H CYS 77 5.957 -17.837 -13.895 225 HA CYS 77 HA CYS 77 5.633 -15.104 -14.900 226 HB2 CYS 77 HB2 CYS 77 8.059 -15.147 -15.259 227 HB3 CYS 77 HB3 CYS 77 7.659 -15.570 -13.598 228 H SER 78 H SER 78 6.551 -14.645 -17.085 229 HA SER 78 HA SER 78 5.205 -16.012 -19.071 230 HB2 SER 78 HB2 SER 78 6.514 -14.765 -20.662 231 HB3 SER 78 HB3 SER 78 6.232 -13.725 -19.265 232 HG SER 78 HG SER 78 8.315 -13.544 -19.182 233 H GLY 79 H GLY 79 8.702 -16.221 -18.373 234 HA2 GLY 79 HA2 GLY 79 9.371 -18.201 -20.181 235 HA3 GLY 79 HA3 GLY 79 10.185 -17.955 -18.642 236 H CYS 80 H CYS 80 7.737 -18.523 -17.106 237 HA CYS 80 HA CYS 80 8.088 -21.346 -16.880 238 HB2 CYS 80 HB2 CYS 80 6.652 -19.230 -15.427 239 HB3 CYS 80 HB3 CYS 80 5.859 -20.801 -15.386 240 H LEU 81 H LEU 81 5.690 -19.254 -18.346 241 HA LEU 81 HA LEU 81 3.705 -21.237 -18.762 242 HB2 LEU 81 HB2 LEU 81 4.222 -18.481 -19.678 243 HB3 LEU 81 HB3 LEU 81 3.212 -19.466 -20.734 244 HG LEU 81 HG LEU 81 1.835 -18.134 -19.258 245 HD11 LEU 81 HD11 LEU 81 1.830 -21.040 -19.263 246 HD12 LEU 81 HD12 LEU 81 0.501 -19.903 -19.483 247 HD13 LEU 81 HD13 LEU 81 1.012 -20.357 -17.858 248 HD21 LEU 81 HD21 LEU 81 3.533 -19.370 -17.119 249 HD22 LEU 81 HD22 LEU 81 1.912 -18.771 -16.768 250 HD23 LEU 81 HD23 LEU 81 3.145 -17.670 -17.388 251 H GLU 82 H GLU 82 6.345 -19.987 -20.766 252 HA GLU 82 HA GLU 82 5.685 -21.682 -22.993 253 HB2 GLU 82 HB2 GLU 82 7.003 -19.373 -22.872 254 HB3 GLU 82 HB3 GLU 82 8.385 -20.452 -22.729 255 HG2 GLU 82 HG2 GLU 82 8.125 -21.294 -24.847 256 HG3 GLU 82 HG3 GLU 82 6.407 -20.904 -24.909 257 H ALA 83 H ALA 83 8.296 -21.599 -20.579 258 HA ALA 83 HA ALA 83 9.577 -23.957 -21.457 259 HB1 ALA 83 HB1 ALA 83 9.626 -22.769 -18.687 260 HB2 ALA 83 HB2 ALA 83 10.813 -23.866 -19.393 261 HB3 ALA 83 HB3 ALA 83 10.636 -22.232 -20.030 262 H SER 84 H SER 84 7.406 -23.404 -18.680 263 HA SER 84 HA SER 84 7.140 -26.250 -18.238 264 HB2 SER 84 HB2 SER 84 5.330 -24.362 -16.839 265 HB3 SER 84 HB3 SER 84 6.269 -25.709 -16.198 266 HG SER 84 HG SER 84 7.934 -24.420 -15.881 267 H GLY 85 H GLY 85 6.054 -24.655 -20.668 268 HA2 GLY 85 HA2 GLY 85 4.099 -24.538 -21.913 269 HA3 GLY 85 HA3 GLY 85 4.076 -26.255 -21.538 270 H MET 86 H MET 86 3.507 -23.391 -19.504 271 HA MET 86 HA MET 86 1.725 -22.756 -18.241 272 HB2 MET 86 HB2 MET 86 -0.037 -24.614 -19.813 273 HB3 MET 86 HB3 MET 86 -0.447 -23.073 -19.072 274 HG2 MET 86 HG2 MET 86 0.873 -21.896 -20.733 275 HG3 MET 86 HG3 MET 86 1.352 -23.429 -21.457 276 HE1 MET 86 HE1 MET 86 0.671 -23.235 -23.727 277 HE2 MET 86 HE2 MET 86 -0.902 -22.740 -24.355 278 HE3 MET 86 HE3 MET 86 0.175 -21.544 -23.631 279 H GLN 87 H GLN 87 3.343 -24.971 -17.433 280 HA GLN 87 HA GLN 87 1.865 -27.158 -16.489 281 HB2 GLN 87 HB2 GLN 87 4.502 -26.503 -16.522 282 HB3 GLN 87 HB3 GLN 87 4.133 -26.283 -14.817 283 HG2 GLN 87 HG2 GLN 87 4.623 -28.462 -14.690 284 HG3 GLN 87 HG3 GLN 87 2.964 -28.668 -15.252 285 HE21 GLN 87 HE21 GLN 87 3.189 -30.514 -16.387 286 HE22 GLN 87 HE22 GLN 87 4.197 -30.685 -17.781 287 H CYS 88 H CYS 88 2.353 -27.370 -13.787 288 HA CYS 88 HA CYS 88 1.006 -25.102 -12.523 289 HB2 CYS 88 HB2 CYS 88 -0.296 -27.555 -13.180 290 HB3 CYS 88 HB3 CYS 88 -0.140 -27.468 -11.429 291 HA PRO 89 HA PRO 89 4.499 -26.904 -10.032 292 HB2 PRO 89 HB2 PRO 89 5.715 -24.522 -9.565 293 HB3 PRO 89 HB3 PRO 89 6.037 -25.499 -11.003 294 HG2 PRO 89 HG2 PRO 89 4.250 -23.117 -10.693 295 HG3 PRO 89 HG3 PRO 89 5.376 -23.508 -12.006 296 HD2 PRO 89 HD2 PRO 89 2.707 -23.925 -12.202 297 HD3 PRO 89 HD3 PRO 89 3.898 -24.966 -13.007 298 H ILE 90 H ILE 90 2.709 -23.871 -9.517 299 HA ILE 90 HA ILE 90 3.013 -23.773 -6.725 300 HB ILE 90 HB ILE 90 0.637 -22.705 -8.244 301 HG12 ILE 90 HG12 ILE 90 2.610 -21.963 -9.423 302 HG13 ILE 90 HG13 ILE 90 1.984 -20.614 -8.482 303 HG21 ILE 90 HG21 ILE 90 1.393 -22.626 -5.532 304 HG22 ILE 90 HG22 ILE 90 1.644 -21.007 -6.180 305 HG23 ILE 90 HG23 ILE 90 0.062 -21.772 -6.315 306 HD11 ILE 90 HD11 ILE 90 4.314 -22.363 -7.731 307 HD12 ILE 90 HD12 ILE 90 4.400 -20.717 -8.359 308 HD13 ILE 90 HD13 ILE 90 3.683 -21.021 -6.778 309 H CYS 91 H CYS 91 1.150 -25.834 -8.687 310 HA CYS 91 HA CYS 91 -0.994 -26.352 -6.884 311 HB2 CYS 91 HB2 CYS 91 -0.211 -27.185 -9.497 312 HB3 CYS 91 HB3 CYS 91 -0.501 -28.627 -8.529 313 H GLN 92 H GLN 92 2.257 -27.054 -6.708 314 HA GLN 92 HA GLN 92 2.152 -29.661 -5.555 315 HB2 GLN 92 HB2 GLN 92 4.239 -27.526 -5.784 316 HB3 GLN 92 HB3 GLN 92 4.503 -28.880 -4.694 317 HG2 GLN 92 HG2 GLN 92 3.960 -29.081 -7.648 318 HG3 GLN 92 HG3 GLN 92 5.532 -29.255 -6.868 319 HE21 GLN 92 HE21 GLN 92 4.149 -31.164 -8.516 320 HE22 GLN 92 HE22 GLN 92 3.898 -32.572 -7.548 321 H ALA 93 H ALA 93 2.209 -26.377 -4.266 322 HA ALA 93 HA ALA 93 1.741 -27.492 -1.577 323 HB1 ALA 93 HB1 ALA 93 3.304 -26.131 -0.789 324 HB2 ALA 93 HB2 ALA 93 3.658 -25.621 -2.440 325 HB3 ALA 93 HB3 ALA 93 2.479 -24.731 -1.477 326 HA PRO 94 HA PRO 94 -2.289 -25.709 -1.713 327 HB2 PRO 94 HB2 PRO 94 -2.795 -25.655 0.954 328 HB3 PRO 94 HB3 PRO 94 -2.810 -27.145 0.004 329 HG2 PRO 94 HG2 PRO 94 -0.651 -26.041 1.759 330 HG3 PRO 94 HG3 PRO 94 -1.233 -27.710 1.616 331 HD2 PRO 94 HD2 PRO 94 1.031 -26.849 0.405 332 HD3 PRO 94 HD3 PRO 94 -0.007 -28.108 -0.295 333 H TRP 95 H TRP 95 -0.595 -23.738 -2.272 334 HA TRP 95 HA TRP 95 -0.156 -21.713 -0.431 335 HB2 TRP 95 HB2 TRP 95 0.550 -20.490 -2.209 336 HB3 TRP 95 HB3 TRP 95 0.389 -22.024 -3.060 337 HD1 TRP 95 HD1 TRP 95 -0.406 -18.594 -3.615 338 HE1 TRP 95 HE1 TRP 95 -2.413 -18.287 -5.198 339 HE3 TRP 95 HE3 TRP 95 -2.322 -23.329 -3.422 340 HZ2 TRP 95 HZ2 TRP 95 -4.527 -19.846 -6.227 341 HZ3 TRP 95 HZ3 TRP 95 -4.339 -23.839 -4.736 342 HH2 TRP 95 HH2 TRP 95 -5.418 -22.132 -6.108 343 HA PRO 96 HA PRO 96 -4.005 -19.808 0.461 344 HB2 PRO 96 HB2 PRO 96 -3.379 -17.167 0.445 345 HB3 PRO 96 HB3 PRO 96 -2.852 -18.272 1.720 346 HG2 PRO 96 HG2 PRO 96 -1.338 -17.263 -0.658 347 HG3 PRO 96 HG3 PRO 96 -0.792 -17.450 1.018 348 HD2 PRO 96 HD2 PRO 96 -0.187 -19.242 -0.919 349 HD3 PRO 96 HD3 PRO 96 -0.419 -19.711 0.778 350 H LEU 97 H LEU 97 -5.605 -19.920 -0.996 351 HA LEU 97 HA LEU 97 -5.440 -19.071 -3.670 352 HB2 LEU 97 HB2 LEU 97 -7.613 -19.940 -1.844 353 HB3 LEU 97 HB3 LEU 97 -8.076 -19.106 -3.325 354 HG LEU 97 HG LEU 97 -6.190 -21.360 -3.632 355 HD11 LEU 97 HD11 LEU 97 -7.768 -22.180 -1.910 356 HD12 LEU 97 HD12 LEU 97 -7.885 -23.052 -3.438 357 HD13 LEU 97 HD13 LEU 97 -9.100 -21.844 -3.017 358 HD21 LEU 97 HD21 LEU 97 -8.130 -21.741 -5.424 359 HD22 LEU 97 HD22 LEU 97 -6.801 -20.611 -5.683 360 HD23 LEU 97 HD23 LEU 97 -8.367 -20.020 -5.123 361 H GLY 98 H GLY 98 -6.266 -17.274 -4.740 362 HA2 GLY 98 HA2 GLY 98 -7.622 -15.162 -3.361 363 HA3 GLY 98 HA3 GLY 98 -5.925 -14.788 -3.622 364 H ALA 99 H ALA 99 -7.387 -13.034 -4.776 365 HA ALA 99 HA ALA 99 -7.884 -13.890 -7.545 366 HB1 ALA 99 HB1 ALA 99 -9.706 -12.629 -7.480 367 HB2 ALA 99 HB2 ALA 99 -9.369 -12.271 -5.785 368 HB3 ALA 99 HB3 ALA 99 -8.750 -11.210 -7.051 369 H ASP 100 H ASP 100 -5.249 -13.231 -6.269 370 HA ASP 100 HA ASP 100 -4.235 -10.774 -6.991 371 HB2 ASP 100 HB2 ASP 100 -2.829 -12.204 -5.737 372 HB3 ASP 100 HB3 ASP 100 -2.960 -13.503 -6.919 373 H THR 101 H THR 101 -4.692 -9.838 -8.894 374 HA THR 101 HA THR 101 -4.908 -11.243 -11.354 375 HB THR 101 HB THR 101 -4.551 -8.700 -12.184 376 HG1 THR 101 HG1 THR 101 -5.737 -7.514 -10.381 377 HG21 THR 101 HG21 THR 101 -6.557 -9.675 -12.769 378 HG22 THR 101 HG22 THR 101 -7.100 -8.472 -11.599 379 HG23 THR 101 HG23 THR 101 -6.927 -10.158 -11.114 380 HA PRO 102 HA PRO 102 -0.790 -11.355 -12.866 381 HB2 PRO 102 HB2 PRO 102 -1.122 -10.777 -15.498 382 HB3 PRO 102 HB3 PRO 102 -1.622 -12.314 -14.781 383 HG2 PRO 102 HG2 PRO 102 -3.271 -9.902 -15.429 384 HG3 PRO 102 HG3 PRO 102 -3.644 -11.615 -15.692 385 HD2 PRO 102 HD2 PRO 102 -4.654 -10.207 -13.610 386 HD3 PRO 102 HD3 PRO 102 -4.286 -11.941 -13.502 387 H ALA 103 H ALA 103 0.702 -10.042 -14.505 388 HA ALA 103 HA ALA 103 0.693 -7.296 -13.502 389 HB1 ALA 103 HB1 ALA 103 2.762 -8.383 -13.152 390 HB2 ALA 103 HB2 ALA 103 2.812 -8.984 -14.810 391 HB3 ALA 103 HB3 ALA 103 3.020 -7.261 -14.489 392 H LEU 104 H LEU 104 0.987 -5.493 -14.884 393 HA LEU 104 HA LEU 104 -0.636 -5.360 -17.104 394 HB2 LEU 104 HB2 LEU 104 1.720 -3.699 -16.265 395 HB3 LEU 104 HB3 LEU 104 0.789 -3.320 -17.712 396 HG LEU 104 HG LEU 104 -1.224 -3.391 -15.986 397 HD11 LEU 104 HD11 LEU 104 1.030 -3.636 -14.297 398 HD12 LEU 104 HD12 LEU 104 -0.663 -3.444 -13.844 399 HD13 LEU 104 HD13 LEU 104 0.358 -2.023 -14.057 400 HD21 LEU 104 HD21 LEU 104 0.670 -1.056 -16.226 401 HD22 LEU 104 HD22 LEU 104 -1.040 -0.982 -15.797 402 HD23 LEU 104 HD23 LEU 104 -0.558 -1.501 -17.412
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