NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
3515 | 1dsv | cing | 1-original | 12 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA PRO 54 HA PRO 54 1.690 0.628 -1.902 2 1HB PRO 54 2HB PRO 54 4.263 -0.141 -1.396 3 2HB PRO 54 3HB PRO 54 3.677 1.486 -1.116 4 1HG PRO 54 2HG PRO 54 4.253 -0.640 0.854 5 2HG PRO 54 3HG PRO 54 4.083 1.084 1.118 6 1HD PRO 54 2HD PRO 54 2.147 -0.944 1.722 7 2HD PRO 54 3HD PRO 54 1.934 0.789 1.877 8 HA PRO 55 HA PRO 55 1.584 -3.199 -3.727 9 1HB PRO 55 2HB PRO 55 2.924 -2.806 -6.076 10 2HB PRO 55 3HB PRO 55 1.256 -2.325 -5.832 11 1HG PRO 55 2HG PRO 55 3.679 -0.634 -5.918 12 2HG PRO 55 3HG PRO 55 2.002 -0.159 -6.102 13 1HD PRO 55 2HD PRO 55 3.643 0.202 -3.777 14 2HD PRO 55 3HD PRO 55 1.936 0.570 -3.922 15 H GLY 56 HN GLY 56 2.647 -4.435 -2.159 16 1HA GLY 56 1HA GLY 56 5.309 -5.242 -3.108 17 2HA GLY 56 2HA GLY 56 5.120 -4.709 -1.450 18 H LEU 57 HN LEU 57 3.800 -7.055 -3.872 19 HA LEU 57 HA LEU 57 2.455 -8.625 -1.966 20 1HB LEU 57 2HB LEU 57 2.078 -8.496 -4.458 21 2HB LEU 57 3HB LEU 57 3.507 -9.491 -4.657 22 HG LEU 57 HG LEU 57 2.490 -11.391 -3.845 23 1HD1 LEU 57 1HD1 LEU 57 0.306 -11.266 -2.491 24 2HD1 LEU 57 2HD1 LEU 57 1.826 -10.808 -1.686 25 3HD1 LEU 57 3HD1 LEU 57 0.710 -9.547 -2.262 26 1HD2 LEU 57 1HD2 LEU 57 0.553 -11.716 -5.083 27 2HD2 LEU 57 2HD2 LEU 57 -0.033 -10.059 -4.798 28 3HD2 LEU 57 3HD2 LEU 57 1.329 -10.343 -5.909 29 H CYS 58 HN CYS 58 3.495 -9.485 -0.234 30 HA CYS 58 HA CYS 58 6.114 -9.950 0.068 31 1HB CYS 58 2HB CYS 58 4.474 -10.162 1.877 32 2HB CYS 58 3HB CYS 58 3.851 -11.643 1.177 33 HA PRO 59 HA PRO 59 6.542 -13.096 -3.050 34 1HB PRO 59 2HB PRO 59 9.220 -12.758 -3.474 35 2HB PRO 59 3HB PRO 59 7.992 -11.858 -4.342 36 1HG PRO 59 2HG PRO 59 9.759 -10.946 -2.155 37 2HG PRO 59 3HG PRO 59 8.848 -9.985 -3.303 38 1HD PRO 59 2HD PRO 59 8.179 -10.467 -0.555 39 2HD PRO 59 3HD PRO 59 7.211 -9.605 -1.734 40 H ARG 60 HN ARG 60 7.311 -12.990 0.087 41 HA ARG 60 HA ARG 60 9.002 -15.296 0.028 42 1HB ARG 60 2HB ARG 60 8.321 -13.208 1.930 43 2HB ARG 60 3HB ARG 60 8.031 -14.762 2.686 44 1HG ARG 60 2HG ARG 60 10.353 -14.091 3.098 45 2HG ARG 60 3HG ARG 60 10.340 -15.499 2.055 46 1HD ARG 60 2HD ARG 60 10.239 -12.941 0.555 47 2HD ARG 60 3HD ARG 60 11.685 -13.110 1.530 48 HE ARG 60 HE ARG 60 11.018 -14.641 -0.851 49 1HH1 ARG 60 1HH1 ARG 60 13.714 -16.830 -0.505 50 2HH1 ARG 60 2HH1 ARG 60 12.483 -16.239 -1.572 51 1HH2 ARG 60 1HH2 ARG 60 13.874 -15.999 1.656 52 2HH2 ARG 60 2HH2 ARG 60 12.763 -14.787 2.202 53 H CYS 61 HN CYS 61 5.922 -14.494 1.813 54 HA CYS 61 HA CYS 61 5.264 -17.287 1.897 55 1HB CYS 61 2HB CYS 61 3.379 -16.602 3.275 56 2HB CYS 61 3HB CYS 61 4.854 -15.854 3.854 57 H LYS 62 HN LYS 62 4.362 -14.285 0.169 58 HA LYS 62 HA LYS 62 3.097 -13.901 -1.598 59 1HB LYS 62 2HB LYS 62 4.361 -16.385 -2.102 60 2HB LYS 62 3HB LYS 62 2.709 -16.555 -2.660 61 1HG LYS 62 2HG LYS 62 2.909 -14.830 -4.241 62 2HG LYS 62 3HG LYS 62 4.173 -14.008 -3.349 63 1HD LYS 62 2HD LYS 62 5.840 -15.631 -4.018 64 2HD LYS 62 3HD LYS 62 4.624 -16.740 -4.619 65 1HE LYS 62 2HE LYS 62 5.004 -15.809 -6.665 66 2HE LYS 62 3HE LYS 62 4.068 -14.444 -6.088 67 1HZ LYS 62 1HZ LYS 62 5.942 -13.259 -5.653 68 2HZ LYS 62 2HZ LYS 62 6.896 -14.565 -5.428 69 3HZ LYS 62 3HZ LYS 62 6.464 -14.120 -6.939 70 H LYS 63 HN LYS 63 1.781 -14.069 0.850 71 HA LYS 63 HA LYS 63 -0.799 -15.122 -0.046 72 1HB LYS 63 2HB LYS 63 0.627 -15.717 2.537 73 2HB LYS 63 3HB LYS 63 -1.124 -15.690 2.484 74 1HG LYS 63 2HG LYS 63 -1.258 -17.604 1.200 75 2HG LYS 63 3HG LYS 63 0.165 -17.204 0.259 76 1HD LYS 63 2HD LYS 63 1.461 -18.541 1.552 77 2HD LYS 63 3HD LYS 63 0.982 -17.678 2.999 78 1HE LYS 63 2HE LYS 63 -0.526 -19.290 3.609 79 2HE LYS 63 3HE LYS 63 -1.158 -19.448 1.982 80 1HZ LYS 63 1HZ LYS 63 1.311 -20.661 3.012 81 2HZ LYS 63 2HZ LYS 63 -0.061 -21.440 2.590 82 3HZ LYS 63 3HZ LYS 63 0.855 -20.720 1.445 83 H GLY 64 HN GLY 64 0.913 -12.450 0.382 84 1HA GLY 64 1HA GLY 64 -1.256 -10.747 0.747 85 2HA GLY 64 2HA GLY 64 -0.506 -10.952 2.318 86 H TYR 65 HN TYR 65 -0.490 -8.427 1.190 87 HA TYR 65 HA TYR 65 2.119 -8.116 -0.082 88 1HB TYR 65 2HB TYR 65 -0.338 -6.368 0.529 89 2HB TYR 65 3HB TYR 65 1.124 -5.677 -0.148 90 HD1 TYR 65 HD1 TYR 65 -1.805 -7.783 -0.815 91 HD2 TYR 65 HD2 TYR 65 1.794 -6.161 -2.463 92 HE1 TYR 65 HE1 TYR 65 -2.607 -8.365 -3.157 93 HE2 TYR 65 HE2 TYR 65 0.981 -6.748 -4.799 94 HH TYR 65 HH TYR 65 -2.170 -7.479 -5.478 95 H HIS 66 HN HIS 66 3.882 -7.696 1.143 96 HA HIS 66 HA HIS 66 3.981 -5.681 3.010 97 1HB HIS 66 2HB HIS 66 4.205 -6.993 5.124 98 2HB HIS 66 3HB HIS 66 2.576 -6.896 4.487 99 HD1 HIS 66 HD1 HIS 66 1.345 -9.068 4.387 100 HD2 HIS 66 HD2 HIS 66 5.504 -9.607 4.312 101 HE1 HIS 66 HE1 HIS 66 1.740 -11.588 4.430 102 H TRP 67 HN TRP 67 6.126 -5.831 4.328 103 HA TRP 67 HA TRP 67 8.125 -6.729 2.476 104 1HB TRP 67 2HB TRP 67 8.206 -5.256 5.105 105 2HB TRP 67 3HB TRP 67 9.659 -5.773 4.272 106 HD1 TRP 67 HD1 TRP 67 6.737 -3.278 3.867 107 HE1 TRP 67 HE1 TRP 67 7.330 -1.394 2.116 108 HE3 TRP 67 HE3 TRP 67 11.101 -5.369 2.307 109 HZ2 TRP 67 HZ2 TRP 67 9.508 -1.000 0.316 110 HZ3 TRP 67 HZ3 TRP 67 12.400 -4.170 0.549 111 HH2 TRP 67 HH2 TRP 67 11.669 -2.058 -0.440 112 H LYS 68 HN LYS 68 9.817 -8.285 3.007 113 HA LYS 68 HA LYS 68 8.901 -10.630 4.098 114 1HB LYS 68 2HB LYS 68 11.278 -11.322 4.085 115 2HB LYS 68 3HB LYS 68 10.772 -10.568 2.587 116 1HG LYS 68 2HG LYS 68 11.658 -8.338 3.722 117 2HG LYS 68 3HG LYS 68 12.538 -9.431 4.771 118 1HD LYS 68 2HD LYS 68 14.068 -9.882 3.154 119 2HD LYS 68 3HD LYS 68 12.817 -10.291 1.997 120 1HE LYS 68 2HE LYS 68 12.821 -8.192 1.037 121 2HE LYS 68 3HE LYS 68 13.067 -7.373 2.567 122 1HZ LYS 68 1HZ LYS 68 14.949 -7.748 0.710 123 2HZ LYS 68 2HZ LYS 68 15.252 -7.409 2.279 124 3HZ LYS 68 3HZ LYS 68 15.295 -8.955 1.754 125 H SER 69 HN SER 69 10.946 -8.065 5.643 126 HA SER 69 HA SER 69 11.090 -9.405 8.081 127 1HB SER 69 2HB SER 69 12.673 -7.632 7.427 128 2HB SER 69 3HB SER 69 11.384 -6.445 7.406 129 HG SER 69 HG SER 69 11.783 -7.930 9.812 130 H GLU 70 HN GLU 70 8.602 -7.482 6.524 131 HA GLU 70 HA GLU 70 7.294 -6.937 9.030 132 1HB GLU 70 2HB GLU 70 6.770 -6.179 6.142 133 2HB GLU 70 3HB GLU 70 5.527 -5.948 7.355 134 1HG GLU 70 2HG GLU 70 7.820 -4.900 8.588 135 2HG GLU 70 3HG GLU 70 8.018 -4.426 6.913 136 H CYS 71 HN CYS 71 7.565 -9.534 6.889 137 HA CYS 71 HA CYS 71 4.963 -10.394 6.565 138 1HB CYS 71 2HB CYS 71 6.852 -11.383 5.369 139 2HB CYS 71 3HB CYS 71 7.504 -12.030 6.861 140 H LYS 72 HN LYS 72 3.455 -10.791 8.146 141 HA LYS 72 HA LYS 72 4.465 -11.639 10.763 142 1HB LYS 72 2HB LYS 72 2.435 -10.731 11.693 143 2HB LYS 72 3HB LYS 72 3.205 -9.515 10.693 144 1HG LYS 72 2HG LYS 72 1.554 -10.829 8.864 145 2HG LYS 72 3HG LYS 72 0.596 -10.874 10.331 146 1HD LYS 72 2HD LYS 72 0.648 -8.469 10.563 147 2HD LYS 72 3HD LYS 72 1.919 -8.305 9.368 148 1HE LYS 72 2HE LYS 72 0.153 -7.814 7.972 149 2HE LYS 72 3HE LYS 72 0.068 -9.558 7.821 150 1HZ LYS 72 1HZ LYS 72 -1.407 -9.315 9.915 151 2HZ LYS 72 2HZ LYS 72 -1.617 -7.785 9.383 152 3HZ LYS 72 3HZ LYS 72 -2.039 -9.044 8.433 153 H SER 73 HN SER 73 3.719 -13.116 8.026 154 HA SER 73 HA SER 73 1.557 -14.746 8.757 155 1HB SER 73 2HB SER 73 3.765 -15.100 6.684 156 2HB SER 73 3HB SER 73 2.391 -16.179 6.824 157 HG SER 73 HG SER 73 1.177 -13.909 6.715 158 H LYS 74 HN LYS 74 1.774 -17.216 8.998 159 HA LYS 74 HA LYS 74 3.776 -17.714 11.019 160 1HB LYS 74 2HB LYS 74 1.208 -18.361 10.961 161 2HB LYS 74 3HB LYS 74 1.796 -19.766 10.094 162 1HG LYS 74 2HG LYS 74 3.397 -20.251 11.949 163 2HG LYS 74 3HG LYS 74 2.832 -18.835 12.814 164 1HD LYS 74 2HD LYS 74 0.447 -20.164 12.278 165 2HD LYS 74 3HD LYS 74 1.556 -21.500 12.517 166 1HE LYS 74 2HE LYS 74 2.331 -20.207 14.665 167 2HE LYS 74 3HE LYS 74 0.865 -19.268 14.464 168 1HZ LYS 74 1HZ LYS 74 0.836 -22.199 14.517 169 2HZ LYS 74 2HZ LYS 74 0.696 -21.299 15.873 170 3HZ LYS 74 3HZ LYS 74 -0.429 -21.182 14.695 171 H PHE 75 HN PHE 75 2.848 -18.878 7.733 172 HA PHE 75 HA PHE 75 5.531 -20.055 7.578 173 1HB PHE 75 2HB PHE 75 2.767 -21.058 6.708 174 2HB PHE 75 3HB PHE 75 4.218 -21.704 5.969 175 HD1 PHE 75 HD1 PHE 75 5.864 -22.951 7.378 176 HD2 PHE 75 HD2 PHE 75 2.077 -21.756 8.874 177 HE1 PHE 75 HE1 PHE 75 6.084 -24.604 9.254 178 HE2 PHE 75 HE2 PHE 75 2.297 -23.409 10.750 179 HZ PHE 75 HZ PHE 75 4.298 -24.813 10.918 180 H ASP 76 HN ASP 76 6.222 -20.396 5.215 181 HA ASP 76 HA ASP 76 4.994 -18.366 3.533 182 1HB ASP 76 2HB ASP 76 7.349 -17.826 2.711 183 2HB ASP 76 3HB ASP 76 6.985 -17.290 4.339 184 H LYS 77 HN LYS 77 6.427 -18.685 1.199 185 HA LYS 77 HA LYS 77 5.488 -20.844 -0.038 186 1HB LYS 77 2HB LYS 77 6.875 -18.852 -0.919 187 2HB LYS 77 3HB LYS 77 8.278 -19.863 -0.637 188 1HG LYS 77 2HG LYS 77 6.220 -21.413 -2.000 189 2HG LYS 77 3HG LYS 77 6.510 -19.925 -2.879 190 1HD LYS 77 2HD LYS 77 9.098 -20.694 -2.285 191 2HD LYS 77 3HD LYS 77 8.318 -22.255 -2.449 192 1HE LYS 77 2HE LYS 77 7.285 -21.207 -4.661 193 2HE LYS 77 3HE LYS 77 8.601 -20.058 -4.519 194 1HZ LYS 77 1HZ LYS 77 8.924 -22.979 -4.572 195 2HZ LYS 77 2HZ LYS 77 9.207 -21.974 -5.828 196 3HZ LYS 77 3HZ LYS 77 10.138 -21.890 -4.489 197 H ASP 78 HN ASP 78 6.270 -22.971 -0.640 198 HA ASP 78 HA ASP 78 7.114 -24.926 -0.238 199 1HB ASP 78 2HB ASP 78 9.338 -24.161 -0.566 200 2HB ASP 78 3HB ASP 78 9.324 -23.192 0.894 201 H GLY 79 HN GLY 79 5.638 -23.095 1.937 202 1HA GLY 79 1HA GLY 79 4.771 -23.378 3.989 203 2HA GLY 79 2HA GLY 79 5.144 -25.082 3.829 204 H ASN 80 HN ASN 80 7.428 -22.274 3.850 205 HA ASN 80 HA ASN 80 8.977 -23.640 5.816 206 1HB ASN 80 2HB ASN 80 9.268 -21.124 4.155 207 2HB ASN 80 3HB ASN 80 10.276 -21.288 5.579 208 1HD2 ASN 80 1HD2 ASN 80 9.895 -22.024 2.337 209 2HD2 ASN 80 2HD2 ASN 80 11.130 -23.223 2.142 210 HA PRO 81 HA PRO 81 7.390 -21.313 9.179 211 1HB PRO 81 2HB PRO 81 9.430 -21.505 10.988 212 2HB PRO 81 3HB PRO 81 8.263 -22.784 10.721 213 1HG PRO 81 2HG PRO 81 11.079 -22.632 9.836 214 2HG PRO 81 3HG PRO 81 10.041 -24.038 9.957 215 1HD PRO 81 2HD PRO 81 10.769 -22.644 7.558 216 2HD PRO 81 3HD PRO 81 9.640 -23.977 7.694 217 H LEU 82 HN LEU 82 6.960 -19.235 8.678 218 HA LEU 82 HA LEU 82 8.680 -17.398 7.784 219 1HB LEU 82 2HB LEU 82 6.114 -17.431 8.985 220 2HB LEU 82 3HB LEU 82 7.015 -16.133 9.743 221 HG LEU 82 HG LEU 82 6.027 -15.033 7.988 222 1HD1 LEU 82 1HD1 LEU 82 7.807 -14.154 6.977 223 2HD1 LEU 82 2HD1 LEU 82 8.765 -15.404 7.807 224 3HD1 LEU 82 3HD1 LEU 82 8.193 -15.679 6.144 225 1HD2 LEU 82 1HD2 LEU 82 4.861 -16.759 6.896 226 2HD2 LEU 82 2HD2 LEU 82 5.897 -16.030 5.645 227 3HD2 LEU 82 3HD2 LEU 82 6.361 -17.576 6.396 228 HA PRO 83 HA PRO 83 11.524 -17.346 11.169 229 1HB PRO 83 2HB PRO 83 13.697 -16.531 9.725 230 2HB PRO 83 3HB PRO 83 13.272 -18.217 9.949 231 1HG PRO 83 2HG PRO 83 12.937 -16.524 7.549 232 2HG PRO 83 3HG PRO 83 12.923 -18.272 7.670 233 1HD PRO 83 2HD PRO 83 10.645 -16.555 7.372 234 2HD PRO 83 3HD PRO 83 10.625 -18.291 7.610 235 HA PRO 84 HA PRO 84 11.439 -13.234 12.203 236 1HB PRO 84 2HB PRO 84 13.404 -13.047 14.093 237 2HB PRO 84 3HB PRO 84 11.800 -13.665 14.436 238 1HG PRO 84 2HG PRO 84 14.334 -15.156 14.127 239 2HG PRO 84 3HG PRO 84 12.836 -15.678 14.873 240 1HD PRO 84 2HD PRO 84 13.814 -16.422 12.281 241 2HD PRO 84 3HD PRO 84 12.265 -16.851 12.979 Start of MODEL 2 1 HA PRO 54 HA PRO 54 1.690 0.628 -1.902 2 1HB PRO 54 2HB PRO 54 4.263 -0.141 -1.396 3 2HB PRO 54 3HB PRO 54 3.677 1.486 -1.116 4 1HG PRO 54 2HG PRO 54 4.253 -0.640 0.854 5 2HG PRO 54 3HG PRO 54 4.083 1.084 1.118 6 1HD PRO 54 2HD PRO 54 2.147 -0.944 1.722 7 2HD PRO 54 3HD PRO 54 1.934 0.789 1.877 8 HA PRO 55 HA PRO 55 1.582 -3.200 -3.726 9 1HB PRO 55 2HB PRO 55 2.917 -2.805 -6.077 10 2HB PRO 55 3HB PRO 55 1.249 -2.326 -5.830 11 1HG PRO 55 2HG PRO 55 3.670 -0.632 -5.921 12 2HG PRO 55 3HG PRO 55 1.992 -0.159 -6.102 13 1HD PRO 55 2HD PRO 55 3.638 0.204 -3.780 14 2HD PRO 55 3HD PRO 55 1.930 0.570 -3.922 15 H GLY 56 HN GLY 56 2.586 -4.587 -2.315 16 1HA GLY 56 1HA GLY 56 5.245 -5.371 -3.234 17 2HA GLY 56 2HA GLY 56 5.113 -4.798 -1.583 18 H LEU 57 HN LEU 57 4.425 -7.418 -3.827 19 HA LEU 57 HA LEU 57 2.657 -8.861 -2.171 20 1HB LEU 57 2HB LEU 57 3.022 -9.073 -4.664 21 2HB LEU 57 3HB LEU 57 4.494 -9.952 -4.300 22 HG LEU 57 HG LEU 57 3.374 -11.814 -3.521 23 1HD1 LEU 57 1HD1 LEU 57 0.866 -11.703 -2.928 24 2HD1 LEU 57 2HD1 LEU 57 2.045 -11.025 -1.780 25 3HD1 LEU 57 3HD1 LEU 57 1.115 -9.942 -2.844 26 1HD2 LEU 57 1HD2 LEU 57 2.957 -11.605 -5.889 27 2HD2 LEU 57 2HD2 LEU 57 1.530 -12.315 -5.096 28 3HD2 LEU 57 3HD2 LEU 57 1.517 -10.603 -5.586 29 H CYS 58 HN CYS 58 3.179 -9.449 -0.127 30 HA CYS 58 HA CYS 58 5.639 -9.597 0.956 31 1HB CYS 58 2HB CYS 58 3.546 -9.727 2.243 32 2HB CYS 58 3HB CYS 58 3.259 -11.351 1.649 33 HA PRO 59 HA PRO 59 7.113 -13.064 -1.403 34 1HB PRO 59 2HB PRO 59 9.779 -12.567 -1.064 35 2HB PRO 59 3HB PRO 59 8.835 -11.881 -2.371 36 1HG PRO 59 2HG PRO 59 9.822 -10.571 0.089 37 2HG PRO 59 3HG PRO 59 9.262 -9.833 -1.399 38 1HD PRO 59 2HD PRO 59 7.815 -10.030 1.069 39 2HD PRO 59 3HD PRO 59 7.214 -9.397 -0.450 40 H ARG 60 HN ARG 60 6.891 -12.518 1.774 41 HA ARG 60 HA ARG 60 8.598 -14.695 2.522 42 1HB ARG 60 2HB ARG 60 7.355 -12.421 3.845 43 2HB ARG 60 3HB ARG 60 6.919 -13.881 4.709 44 1HG ARG 60 2HG ARG 60 9.789 -13.699 3.893 45 2HG ARG 60 3HG ARG 60 9.277 -12.518 5.082 46 1HD ARG 60 2HD ARG 60 8.837 -14.129 6.713 47 2HD ARG 60 3HD ARG 60 8.399 -15.357 5.543 48 HE ARG 60 HE ARG 60 11.110 -14.735 6.502 49 1HH1 ARG 60 1HH1 ARG 60 12.529 -17.284 4.588 50 2HH1 ARG 60 2HH1 ARG 60 12.793 -16.142 5.863 51 1HH2 ARG 60 1HH2 ARG 60 10.466 -17.386 3.529 52 2HH2 ARG 60 2HH2 ARG 60 9.191 -16.319 4.014 53 H CYS 61 HN CYS 61 5.122 -13.842 3.231 54 HA CYS 61 HA CYS 61 4.517 -16.627 3.557 55 1HB CYS 61 2HB CYS 61 2.277 -15.851 4.172 56 2HB CYS 61 3HB CYS 61 3.512 -14.992 5.070 57 H LYS 62 HN LYS 62 4.080 -13.966 1.197 58 HA LYS 62 HA LYS 62 3.370 -13.922 -0.892 59 1HB LYS 62 2HB LYS 62 5.036 -16.021 -0.803 60 2HB LYS 62 3HB LYS 62 3.577 -16.876 -1.260 61 1HG LYS 62 2HG LYS 62 3.428 -15.824 -3.328 62 2HG LYS 62 3HG LYS 62 4.135 -14.330 -2.745 63 1HD LYS 62 2HD LYS 62 6.327 -15.069 -3.057 64 2HD LYS 62 3HD LYS 62 5.919 -16.751 -2.779 65 1HE LYS 62 2HE LYS 62 4.489 -16.356 -5.059 66 2HE LYS 62 3HE LYS 62 5.725 -15.140 -5.310 67 1HZ LYS 62 1HZ LYS 62 7.355 -16.713 -5.361 68 2HZ LYS 62 2HZ LYS 62 6.528 -17.809 -4.477 69 3HZ LYS 62 3HZ LYS 62 6.129 -17.553 -6.039 70 H LYS 63 HN LYS 63 1.416 -13.964 1.149 71 HA LYS 63 HA LYS 63 -0.744 -15.317 -0.300 72 1HB LYS 63 2HB LYS 63 0.123 -15.735 2.466 73 2HB LYS 63 3HB LYS 63 -1.568 -15.290 2.352 74 1HG LYS 63 2HG LYS 63 -2.151 -17.215 1.196 75 2HG LYS 63 3HG LYS 63 -0.619 -17.307 0.351 76 1HD LYS 63 2HD LYS 63 -0.596 -19.151 1.873 77 2HD LYS 63 3HD LYS 63 0.455 -17.952 2.599 78 1HE LYS 63 2HE LYS 63 -1.542 -17.147 3.975 79 2HE LYS 63 3HE LYS 63 -2.455 -18.503 3.344 80 1HZ LYS 63 1HZ LYS 63 -0.375 -18.484 5.298 81 2HZ LYS 63 2HZ LYS 63 -1.590 -19.553 5.080 82 3HZ LYS 63 3HZ LYS 63 -0.222 -19.680 4.197 83 H GLY 64 HN GLY 64 0.633 -12.469 0.147 84 1HA GLY 64 1HA GLY 64 -1.620 -10.935 -0.383 85 2HA GLY 64 2HA GLY 64 -1.364 -10.858 1.349 86 H TYR 65 HN TYR 65 -1.130 -8.508 -0.059 87 HA TYR 65 HA TYR 65 1.721 -8.138 -0.577 88 1HB TYR 65 2HB TYR 65 -0.893 -6.570 -0.980 89 2HB TYR 65 3HB TYR 65 0.662 -5.817 -1.275 90 HD1 TYR 65 HD1 TYR 65 1.602 -5.933 -3.407 91 HD2 TYR 65 HD2 TYR 65 -1.329 -8.835 -2.270 92 HE1 TYR 65 HE1 TYR 65 1.599 -6.868 -5.772 93 HE2 TYR 65 HE2 TYR 65 -1.322 -9.760 -4.638 94 HH TYR 65 HH TYR 65 -0.253 -9.765 -6.562 95 H HIS 66 HN HIS 66 3.021 -7.403 1.022 96 HA HIS 66 HA HIS 66 2.451 -5.165 2.519 97 1HB HIS 66 2HB HIS 66 2.115 -6.159 4.775 98 2HB HIS 66 3HB HIS 66 0.749 -6.346 3.693 99 HD1 HIS 66 HD1 HIS 66 -0.241 -8.634 3.675 100 HD2 HIS 66 HD2 HIS 66 3.821 -8.689 4.721 101 HE1 HIS 66 HE1 HIS 66 0.325 -11.063 4.213 102 H TRP 67 HN TRP 67 4.152 -4.851 4.300 103 HA TRP 67 HA TRP 67 6.642 -5.793 3.262 104 1HB TRP 67 2HB TRP 67 5.799 -3.935 5.462 105 2HB TRP 67 3HB TRP 67 7.458 -4.493 5.365 106 HD1 TRP 67 HD1 TRP 67 4.908 -2.505 3.198 107 HE1 TRP 67 HE1 TRP 67 6.160 -0.867 1.550 108 HE3 TRP 67 HE3 TRP 67 9.599 -4.101 4.340 109 HZ2 TRP 67 HZ2 TRP 67 8.910 -0.433 0.924 110 HZ3 TRP 67 HZ3 TRP 67 11.512 -3.017 3.165 111 HH2 TRP 67 HH2 TRP 67 11.226 -1.243 1.508 112 H LYS 68 HN LYS 68 8.206 -7.089 4.458 113 HA LYS 68 HA LYS 68 7.176 -9.363 5.589 114 1HB LYS 68 2HB LYS 68 9.909 -8.081 5.788 115 2HB LYS 68 3HB LYS 68 9.554 -9.655 6.470 116 1HG LYS 68 2HG LYS 68 8.533 -10.103 4.021 117 2HG LYS 68 3HG LYS 68 9.631 -8.813 3.574 118 1HD LYS 68 2HD LYS 68 10.658 -11.084 5.293 119 2HD LYS 68 3HD LYS 68 10.450 -11.349 3.573 120 1HE LYS 68 2HE LYS 68 11.924 -9.420 3.063 121 2HE LYS 68 3HE LYS 68 12.075 -9.053 4.770 122 1HZ LYS 68 1HZ LYS 68 12.743 -11.744 3.981 123 2HZ LYS 68 2HZ LYS 68 13.773 -10.575 3.493 124 3HZ LYS 68 3HZ LYS 68 13.458 -10.773 5.083 125 H SER 69 HN SER 69 8.515 -6.430 7.249 126 HA SER 69 HA SER 69 8.021 -7.442 9.799 127 1HB SER 69 2HB SER 69 8.394 -5.092 10.541 128 2HB SER 69 3HB SER 69 9.626 -5.636 9.419 129 HG SER 69 HG SER 69 8.038 -3.476 9.196 130 H GLU 70 HN GLU 70 5.992 -5.971 7.343 131 HA GLU 70 HA GLU 70 3.986 -5.229 9.264 132 1HB GLU 70 2HB GLU 70 4.208 -4.989 6.242 133 2HB GLU 70 3HB GLU 70 2.715 -4.619 7.082 134 1HG GLU 70 2HG GLU 70 5.290 -3.369 8.063 135 2HG GLU 70 3HG GLU 70 4.527 -2.715 6.628 136 H CYS 71 HN CYS 71 5.009 -8.065 7.744 137 HA CYS 71 HA CYS 71 2.692 -9.234 6.839 138 1HB CYS 71 2HB CYS 71 4.921 -10.194 6.489 139 2HB CYS 71 3HB CYS 71 5.069 -10.544 8.200 140 H LYS 72 HN LYS 72 0.790 -9.639 7.910 141 HA LYS 72 HA LYS 72 0.958 -9.951 10.824 142 1HB LYS 72 2HB LYS 72 -0.488 -8.109 9.349 143 2HB LYS 72 3HB LYS 72 -1.679 -9.349 9.686 144 1HG LYS 72 2HG LYS 72 -1.416 -9.142 12.049 145 2HG LYS 72 3HG LYS 72 0.134 -8.337 11.902 146 1HD LYS 72 2HD LYS 72 -0.832 -6.282 11.706 147 2HD LYS 72 3HD LYS 72 -1.976 -6.843 10.504 148 1HE LYS 72 2HE LYS 72 -2.468 -7.800 13.299 149 2HE LYS 72 3HE LYS 72 -2.688 -6.081 13.040 150 1HZ LYS 72 1HZ LYS 72 -3.877 -8.008 11.196 151 2HZ LYS 72 2HZ LYS 72 -4.626 -7.636 12.600 152 3HZ LYS 72 3HZ LYS 72 -4.330 -6.468 11.497 153 H SER 73 HN SER 73 1.134 -11.853 8.265 154 HA SER 73 HA SER 73 -1.117 -13.510 8.577 155 1HB SER 73 2HB SER 73 1.566 -13.790 7.193 156 2HB SER 73 3HB SER 73 0.476 -15.159 7.285 157 HG SER 73 HG SER 73 0.043 -14.056 5.345 158 H LYS 74 HN LYS 74 -0.945 -15.880 9.269 159 HA LYS 74 HA LYS 74 0.446 -15.965 11.799 160 1HB LYS 74 2HB LYS 74 -1.889 -17.230 10.590 161 2HB LYS 74 3HB LYS 74 -0.863 -18.398 11.398 162 1HG LYS 74 2HG LYS 74 -2.447 -17.519 13.029 163 2HG LYS 74 3HG LYS 74 -0.849 -16.935 13.448 164 1HD LYS 74 2HD LYS 74 -1.399 -14.748 13.039 165 2HD LYS 74 3HD LYS 74 -2.279 -15.139 11.575 166 1HE LYS 74 2HE LYS 74 -4.301 -15.353 12.676 167 2HE LYS 74 3HE LYS 74 -3.575 -16.061 14.105 168 1HZ LYS 74 1HZ LYS 74 -4.245 -13.958 14.740 169 2HZ LYS 74 2HZ LYS 74 -2.642 -13.765 14.492 170 3HZ LYS 74 3HZ LYS 74 -3.711 -13.232 13.378 171 H PHE 75 HN PHE 75 0.488 -17.575 8.582 172 HA PHE 75 HA PHE 75 3.089 -18.689 9.356 173 1HB PHE 75 2HB PHE 75 0.669 -19.864 7.893 174 2HB PHE 75 3HB PHE 75 2.263 -20.538 7.620 175 HD1 PHE 75 HD1 PHE 75 -0.527 -20.298 9.919 176 HD2 PHE 75 HD2 PHE 75 3.474 -21.643 9.480 177 HE1 PHE 75 HE1 PHE 75 -0.790 -21.743 11.954 178 HE2 PHE 75 HE2 PHE 75 3.211 -23.088 11.516 179 HZ PHE 75 HZ PHE 75 1.082 -23.121 12.728 180 H ASP 76 HN ASP 76 4.459 -19.257 7.381 181 HA ASP 76 HA ASP 76 3.775 -17.510 5.159 182 1HB ASP 76 2HB ASP 76 6.260 -16.956 5.012 183 2HB ASP 76 3HB ASP 76 5.420 -16.251 6.379 184 H LYS 77 HN LYS 77 5.848 -18.041 3.421 185 HA LYS 77 HA LYS 77 5.345 -20.377 2.252 186 1HB LYS 77 2HB LYS 77 7.292 -20.082 1.003 187 2HB LYS 77 3HB LYS 77 6.891 -18.462 1.536 188 1HG LYS 77 2HG LYS 77 9.010 -18.339 2.352 189 2HG LYS 77 3HG LYS 77 8.477 -19.409 3.633 190 1HD LYS 77 2HD LYS 77 9.192 -21.387 2.372 191 2HD LYS 77 3HD LYS 77 9.540 -20.416 0.955 192 1HE LYS 77 2HE LYS 77 11.684 -20.434 1.783 193 2HE LYS 77 3HE LYS 77 11.105 -19.111 2.776 194 1HZ LYS 77 1HZ LYS 77 11.494 -20.367 4.521 195 2HZ LYS 77 2HZ LYS 77 10.382 -21.459 4.033 196 3HZ LYS 77 3HZ LYS 77 11.945 -21.632 3.593 197 H ASP 78 HN ASP 78 6.285 -22.522 2.195 198 HA ASP 78 HA ASP 78 6.985 -24.371 3.082 199 1HB ASP 78 2HB ASP 78 9.201 -23.553 3.330 200 2HB ASP 78 3HB ASP 78 8.743 -22.409 4.575 201 H GLY 79 HN GLY 79 4.908 -22.363 4.459 202 1HA GLY 79 1HA GLY 79 3.468 -22.431 6.181 203 2HA GLY 79 2HA GLY 79 3.889 -24.122 6.366 204 H ASN 80 HN ASN 80 6.053 -21.241 6.683 205 HA ASN 80 HA ASN 80 6.948 -22.271 9.184 206 1HB ASN 80 2HB ASN 80 7.698 -19.967 7.366 207 2HB ASN 80 3HB ASN 80 8.235 -19.905 9.033 208 1HD2 ASN 80 1HD2 ASN 80 8.855 -21.047 5.952 209 2HD2 ASN 80 2HD2 ASN 80 10.102 -22.200 6.290 210 HA PRO 81 HA PRO 81 4.408 -19.627 11.594 211 1HB PRO 81 2HB PRO 81 5.821 -19.489 13.929 212 2HB PRO 81 3HB PRO 81 4.801 -20.849 13.505 213 1HG PRO 81 2HG PRO 81 7.751 -20.664 13.472 214 2HG PRO 81 3HG PRO 81 6.741 -22.096 13.470 215 1HD PRO 81 2HD PRO 81 8.132 -20.974 11.227 216 2HD PRO 81 3HD PRO 81 7.030 -22.337 11.202 217 H LEU 82 HN LEU 82 4.132 -17.657 10.696 218 HA LEU 82 HA LEU 82 6.021 -15.860 10.120 219 1HB LEU 82 2HB LEU 82 3.214 -15.877 10.475 220 2HB LEU 82 3HB LEU 82 3.816 -14.455 11.303 221 HG LEU 82 HG LEU 82 3.420 -13.607 9.213 222 1HD1 LEU 82 1HD1 LEU 82 5.421 -12.792 8.662 223 2HD1 LEU 82 2HD1 LEU 82 6.078 -13.875 9.912 224 3HD1 LEU 82 3HD1 LEU 82 6.049 -14.395 8.210 225 1HD2 LEU 82 1HD2 LEU 82 2.639 -15.493 8.046 226 2HD2 LEU 82 2HD2 LEU 82 4.005 -14.880 7.082 227 3HD2 LEU 82 3HD2 LEU 82 4.221 -16.306 8.124 228 HA PRO 83 HA PRO 83 7.697 -15.233 14.163 229 1HB PRO 83 2HB PRO 83 10.198 -14.499 13.342 230 2HB PRO 83 3HB PRO 83 9.743 -16.161 13.656 231 1HG PRO 83 2HG PRO 83 10.138 -14.808 11.058 232 2HG PRO 83 3HG PRO 83 10.105 -16.525 11.408 233 1HD PRO 83 2HD PRO 83 8.010 -14.978 10.207 234 2HD PRO 83 3HD PRO 83 7.935 -16.668 10.663 235 HA PRO 84 HA PRO 84 7.454 -11.021 14.624 236 1HB PRO 84 2HB PRO 84 9.206 -10.418 16.634 237 2HB PRO 84 3HB PRO 84 7.617 -11.100 16.920 238 1HG PRO 84 2HG PRO 84 10.256 -12.424 17.065 239 2HG PRO 84 3HG PRO 84 8.727 -12.947 17.743 240 1HD PRO 84 2HD PRO 84 10.002 -13.977 15.389 241 2HD PRO 84 3HD PRO 84 8.420 -14.417 16.003 Start of MODEL 3 1 HA PRO 54 HA PRO 54 1.690 0.628 -1.902 2 1HB PRO 54 2HB PRO 54 4.263 -0.141 -1.396 3 2HB PRO 54 3HB PRO 54 3.677 1.486 -1.116 4 1HG PRO 54 2HG PRO 54 4.253 -0.640 0.854 5 2HG PRO 54 3HG PRO 54 4.083 1.084 1.118 6 1HD PRO 54 2HD PRO 54 2.147 -0.944 1.722 7 2HD PRO 54 3HD PRO 54 1.934 0.789 1.877 8 HA PRO 55 HA PRO 55 1.062 -3.597 -2.868 9 1HB PRO 55 2HB PRO 55 -0.581 -3.224 -5.019 10 2HB PRO 55 3HB PRO 55 -1.176 -3.436 -3.384 11 1HG PRO 55 2HG PRO 55 -1.014 -0.960 -4.991 12 2HG PRO 55 3HG PRO 55 -1.971 -1.278 -3.558 13 1HD PRO 55 2HD PRO 55 0.457 0.244 -3.699 14 2HD PRO 55 3HD PRO 55 -0.438 -0.172 -2.250 15 H GLY 56 HN GLY 56 1.185 -4.811 -5.138 16 1HA GLY 56 1HA GLY 56 2.776 -3.528 -7.096 17 2HA GLY 56 2HA GLY 56 3.800 -4.440 -6.005 18 H LEU 57 HN LEU 57 4.115 -5.549 -8.275 19 HA LEU 57 HA LEU 57 2.062 -7.171 -9.276 20 1HB LEU 57 2HB LEU 57 4.178 -6.371 -10.413 21 2HB LEU 57 3HB LEU 57 5.032 -7.628 -9.539 22 HG LEU 57 HG LEU 57 4.073 -9.343 -10.759 23 1HD1 LEU 57 1HD1 LEU 57 1.769 -9.007 -10.454 24 2HD1 LEU 57 2HD1 LEU 57 1.788 -7.452 -11.319 25 3HD1 LEU 57 3HD1 LEU 57 2.010 -8.973 -12.217 26 1HD2 LEU 57 1HD2 LEU 57 3.942 -8.456 -13.213 27 2HD2 LEU 57 2HD2 LEU 57 4.494 -6.926 -12.488 28 3HD2 LEU 57 3HD2 LEU 57 5.481 -8.398 -12.321 29 H CYS 58 HN CYS 58 1.019 -8.686 -8.092 30 HA CYS 58 HA CYS 58 1.783 -9.800 -5.784 31 1HB CYS 58 2HB CYS 58 -0.438 -10.101 -6.790 32 2HB CYS 58 3HB CYS 58 0.230 -11.183 -7.996 33 HA PRO 59 HA PRO 59 5.323 -12.022 -7.315 34 1HB PRO 59 2HB PRO 59 6.653 -12.176 -4.933 35 2HB PRO 59 3HB PRO 59 6.834 -10.835 -6.046 36 1HG PRO 59 2HG PRO 59 5.346 -10.937 -3.495 37 2HG PRO 59 3HG PRO 59 5.891 -9.534 -4.392 38 1HD PRO 59 2HD PRO 59 3.216 -10.564 -4.275 39 2HD PRO 59 3HD PRO 59 3.784 -9.232 -5.262 40 H ARG 60 HN ARG 60 2.728 -12.917 -5.617 41 HA ARG 60 HA ARG 60 3.804 -15.439 -4.794 42 1HB ARG 60 2HB ARG 60 1.438 -13.832 -4.213 43 2HB ARG 60 3HB ARG 60 0.942 -15.457 -4.645 44 1HG ARG 60 2HG ARG 60 1.309 -15.509 -2.276 45 2HG ARG 60 3HG ARG 60 2.688 -16.329 -2.981 46 1HD ARG 60 2HD ARG 60 3.021 -13.377 -2.662 47 2HD ARG 60 3HD ARG 60 2.876 -14.266 -1.159 48 HE ARG 60 HE ARG 60 4.745 -15.502 -3.047 49 1HH1 ARG 60 1HH1 ARG 60 7.542 -14.509 -1.213 50 2HH1 ARG 60 2HH1 ARG 60 6.960 -15.525 -2.489 51 1HH2 ARG 60 1HH2 ARG 60 6.072 -13.125 -0.070 52 2HH2 ARG 60 2HH2 ARG 60 4.392 -13.107 -0.493 53 H CYS 61 HN CYS 61 0.969 -14.394 -6.843 54 HA CYS 61 HA CYS 61 1.114 -16.920 -8.238 55 1HB CYS 61 2HB CYS 61 -1.002 -16.303 -9.229 56 2HB CYS 61 3HB CYS 61 -1.078 -16.034 -7.499 57 H LYS 62 HN LYS 62 1.631 -13.391 -8.693 58 HA LYS 62 HA LYS 62 2.723 -12.247 -10.233 59 1HB LYS 62 2HB LYS 62 4.034 -14.802 -10.227 60 2HB LYS 62 3HB LYS 62 3.985 -14.202 -11.873 61 1HG LYS 62 2HG LYS 62 4.681 -11.894 -10.606 62 2HG LYS 62 3HG LYS 62 5.354 -13.041 -9.465 63 1HD LYS 62 2HD LYS 62 6.365 -14.197 -11.631 64 2HD LYS 62 3HD LYS 62 6.064 -12.644 -12.384 65 1HE LYS 62 2HE LYS 62 7.294 -11.706 -10.193 66 2HE LYS 62 3HE LYS 62 7.962 -13.325 -10.134 67 1HZ LYS 62 1HZ LYS 62 8.688 -13.014 -12.425 68 2HZ LYS 62 2HZ LYS 62 8.126 -11.481 -12.415 69 3HZ LYS 62 3HZ LYS 62 9.353 -11.907 -11.425 70 H LYS 63 HN LYS 63 0.035 -12.648 -10.634 71 HA LYS 63 HA LYS 63 -0.051 -12.713 -13.549 72 1HB LYS 63 2HB LYS 63 -1.480 -14.561 -11.701 73 2HB LYS 63 3HB LYS 63 -2.411 -13.905 -13.032 74 1HG LYS 63 2HG LYS 63 -1.485 -15.554 -14.299 75 2HG LYS 63 3HG LYS 63 -0.026 -14.584 -14.291 76 1HD LYS 63 2HD LYS 63 0.935 -15.823 -12.480 77 2HD LYS 63 3HD LYS 63 -0.606 -16.519 -12.020 78 1HE LYS 63 2HE LYS 63 0.020 -18.338 -13.243 79 2HE LYS 63 3HE LYS 63 -0.360 -17.376 -14.657 80 1HZ LYS 63 1HZ LYS 63 2.177 -18.154 -13.652 81 2HZ LYS 63 2HZ LYS 63 1.763 -17.655 -15.151 82 3HZ LYS 63 3HZ LYS 63 2.114 -16.558 -13.993 83 H GLY 64 HN GLY 64 -0.126 -10.787 -11.069 84 1HA GLY 64 1HA GLY 64 -1.674 -8.797 -12.156 85 2HA GLY 64 2HA GLY 64 -2.758 -9.673 -11.094 86 H TYR 65 HN TYR 65 -1.746 -6.905 -10.793 87 HA TYR 65 HA TYR 65 0.192 -7.029 -8.662 88 1HB TYR 65 2HB TYR 65 -1.564 -4.894 -10.018 89 2HB TYR 65 3HB TYR 65 -0.450 -4.486 -8.728 90 HD1 TYR 65 HD1 TYR 65 -0.714 -5.629 -12.229 91 HD2 TYR 65 HD2 TYR 65 1.939 -4.380 -9.114 92 HE1 TYR 65 HE1 TYR 65 1.162 -5.362 -13.924 93 HE2 TYR 65 HE2 TYR 65 3.806 -4.117 -10.820 94 HH TYR 65 HH TYR 65 3.822 -5.484 -13.697 95 H HIS 66 HN HIS 66 -0.297 -7.368 -6.557 96 HA HIS 66 HA HIS 66 -2.299 -6.032 -5.224 97 1HB HIS 66 2HB HIS 66 -3.875 -7.937 -4.760 98 2HB HIS 66 3HB HIS 66 -3.986 -7.228 -6.358 99 HD1 HIS 66 HD1 HIS 66 -3.943 -8.843 -8.273 100 HD2 HIS 66 HD2 HIS 66 -2.238 -10.459 -4.798 101 HE1 HIS 66 HE1 HIS 66 -3.402 -11.278 -8.808 102 H TRP 67 HN TRP 67 -2.720 -7.217 -2.964 103 HA TRP 67 HA TRP 67 -0.086 -7.905 -2.028 104 1HB TRP 67 2HB TRP 67 -2.735 -7.395 -0.684 105 2HB TRP 67 3HB TRP 67 -1.340 -7.987 0.197 106 HD1 TRP 67 HD1 TRP 67 -2.523 -4.829 -1.699 107 HE1 TRP 67 HE1 TRP 67 -1.099 -2.718 -1.005 108 HE3 TRP 67 HE3 TRP 67 0.863 -7.381 1.109 109 HZ2 TRP 67 HZ2 TRP 67 1.231 -2.361 0.603 110 HZ3 TRP 67 HZ3 TRP 67 2.681 -6.075 2.207 111 HH2 TRP 67 HH2 TRP 67 2.896 -3.650 1.990 112 H LYS 68 HN LYS 68 0.434 -9.923 -0.956 113 HA LYS 68 HA LYS 68 -0.448 -12.183 -2.238 114 1HB LYS 68 2HB LYS 68 0.633 -13.399 -0.333 115 2HB LYS 68 3HB LYS 68 1.639 -12.186 -1.097 116 1HG LYS 68 2HG LYS 68 1.990 -11.434 1.034 117 2HG LYS 68 3HG LYS 68 0.428 -10.662 0.847 118 1HD LYS 68 2HD LYS 68 -0.565 -12.944 1.690 119 2HD LYS 68 3HD LYS 68 1.066 -13.293 2.228 120 1HE LYS 68 2HE LYS 68 -0.127 -10.620 2.972 121 2HE LYS 68 3HE LYS 68 -0.702 -12.041 3.821 122 1HZ LYS 68 1HZ LYS 68 1.596 -10.678 4.319 123 2HZ LYS 68 2HZ LYS 68 1.171 -12.122 4.952 124 3HZ LYS 68 3HZ LYS 68 2.106 -12.060 3.615 125 H SER 69 HN SER 69 -1.515 -10.818 0.945 126 HA SER 69 HA SER 69 -3.351 -12.860 1.409 127 1HB SER 69 2HB SER 69 -4.048 -11.573 3.273 128 2HB SER 69 3HB SER 69 -2.364 -11.139 3.062 129 HG SER 69 HG SER 69 -3.250 -9.286 1.702 130 H GLU 70 HN GLU 70 -3.380 -9.987 -0.617 131 HA GLU 70 HA GLU 70 -6.253 -10.004 -0.790 132 1HB GLU 70 2HB GLU 70 -4.090 -8.252 -2.019 133 2HB GLU 70 3HB GLU 70 -5.779 -8.094 -2.461 134 1HG GLU 70 2HG GLU 70 -4.866 -8.002 0.444 135 2HG GLU 70 3HG GLU 70 -4.901 -6.565 -0.557 136 H CYS 71 HN CYS 71 -3.696 -11.751 -2.122 137 HA CYS 71 HA CYS 71 -4.159 -11.805 -4.812 138 1HB CYS 71 2HB CYS 71 -2.269 -12.942 -3.786 139 2HB CYS 71 3HB CYS 71 -3.332 -14.075 -2.974 140 H LYS 72 HN LYS 72 -6.033 -12.208 -5.932 141 HA LYS 72 HA LYS 72 -7.990 -13.976 -4.641 142 1HB LYS 72 2HB LYS 72 -8.231 -11.345 -5.725 143 2HB LYS 72 3HB LYS 72 -9.146 -12.428 -6.754 144 1HG LYS 72 2HG LYS 72 -10.100 -13.420 -4.523 145 2HG LYS 72 3HG LYS 72 -9.459 -11.977 -3.763 146 1HD LYS 72 2HD LYS 72 -10.970 -11.361 -6.224 147 2HD LYS 72 3HD LYS 72 -11.949 -12.210 -5.044 148 1HE LYS 72 2HE LYS 72 -10.609 -10.358 -3.451 149 2HE LYS 72 3HE LYS 72 -10.832 -9.460 -4.939 150 1HZ LYS 72 1HZ LYS 72 -12.902 -9.159 -4.303 151 2HZ LYS 72 2HZ LYS 72 -13.199 -10.757 -4.468 152 3HZ LYS 72 3HZ LYS 72 -12.745 -10.155 -3.019 153 H SER 73 HN SER 73 -5.493 -14.333 -6.578 154 HA SER 73 HA SER 73 -6.692 -15.317 -8.933 155 1HB SER 73 2HB SER 73 -3.950 -15.192 -7.752 156 2HB SER 73 3HB SER 73 -4.215 -16.486 -8.904 157 HG SER 73 HG SER 73 -4.353 -13.650 -9.304 158 H LYS 74 HN LYS 74 -6.657 -17.626 -9.642 159 HA LYS 74 HA LYS 74 -7.572 -19.314 -7.524 160 1HB LYS 74 2HB LYS 74 -7.247 -19.684 -10.510 161 2HB LYS 74 3HB LYS 74 -7.809 -20.962 -9.452 162 1HG LYS 74 2HG LYS 74 -9.498 -19.070 -8.589 163 2HG LYS 74 3HG LYS 74 -9.153 -18.345 -10.147 164 1HD LYS 74 2HD LYS 74 -10.795 -19.709 -10.952 165 2HD LYS 74 3HD LYS 74 -9.594 -20.982 -10.870 166 1HE LYS 74 2HE LYS 74 -10.759 -22.053 -9.242 167 2HE LYS 74 3HE LYS 74 -10.742 -20.624 -8.229 168 1HZ LYS 74 1HZ LYS 74 -12.550 -20.381 -10.399 169 2HZ LYS 74 2HZ LYS 74 -12.906 -21.662 -9.451 170 3HZ LYS 74 3HZ LYS 74 -12.813 -20.167 -8.801 171 H PHE 75 HN PHE 75 -4.808 -19.398 -9.880 172 HA PHE 75 HA PHE 75 -3.472 -21.188 -7.973 173 1HB PHE 75 2HB PHE 75 -3.626 -20.926 -11.003 174 2HB PHE 75 3HB PHE 75 -2.146 -21.567 -10.319 175 HD1 PHE 75 HD1 PHE 75 -5.518 -22.295 -11.267 176 HD2 PHE 75 HD2 PHE 75 -2.302 -23.635 -8.845 177 HE1 PHE 75 HE1 PHE 75 -6.565 -24.573 -11.137 178 HE2 PHE 75 HE2 PHE 75 -3.348 -25.912 -8.714 179 HZ PHE 75 HZ PHE 75 -5.467 -26.354 -9.861 180 H ASP 76 HN ASP 76 -1.078 -20.969 -7.855 181 HA ASP 76 HA ASP 76 -0.221 -18.303 -8.646 182 1HB ASP 76 2HB ASP 76 0.760 -17.880 -6.524 183 2HB ASP 76 3HB ASP 76 -0.808 -18.562 -6.141 184 H LYS 77 HN LYS 77 2.438 -18.376 -7.902 185 HA LYS 77 HA LYS 77 3.755 -19.744 -9.764 186 1HB LYS 77 2HB LYS 77 4.518 -18.121 -7.808 187 2HB LYS 77 3HB LYS 77 5.019 -19.620 -7.051 188 1HG LYS 77 2HG LYS 77 6.718 -19.978 -8.562 189 2HG LYS 77 3HG LYS 77 5.775 -19.401 -9.922 190 1HD LYS 77 2HD LYS 77 7.076 -17.534 -9.842 191 2HD LYS 77 3HD LYS 77 6.126 -17.070 -8.444 192 1HE LYS 77 2HE LYS 77 8.291 -18.985 -7.785 193 2HE LYS 77 3HE LYS 77 8.889 -17.485 -8.465 194 1HZ LYS 77 1HZ LYS 77 8.694 -17.040 -6.239 195 2HZ LYS 77 2HZ LYS 77 7.294 -16.419 -6.808 196 3HZ LYS 77 3HZ LYS 77 7.298 -17.867 -6.051 197 H ASP 78 HN ASP 78 4.901 -21.765 -9.950 198 HA ASP 78 HA ASP 78 5.114 -23.917 -9.798 199 1HB ASP 78 2HB ASP 78 5.967 -23.756 -7.578 200 2HB ASP 78 3HB ASP 78 4.411 -23.298 -6.914 201 H GLY 79 HN GLY 79 2.320 -22.390 -10.013 202 1HA GLY 79 1HA GLY 79 0.178 -22.934 -10.412 203 2HA GLY 79 2HA GLY 79 0.739 -24.565 -10.725 204 H ASN 80 HN ASN 80 0.848 -22.620 -7.665 205 HA ASN 80 HA ASN 80 -0.264 -24.876 -6.299 206 1HB ASN 80 2HB ASN 80 0.971 -22.226 -5.507 207 2HB ASN 80 3HB ASN 80 -0.041 -23.041 -4.331 208 1HD2 ASN 80 1HD2 ASN 80 3.014 -22.781 -5.671 209 2HD2 ASN 80 2HD2 ASN 80 3.762 -24.203 -5.024 210 HA PRO 81 HA PRO 81 -4.287 -23.114 -6.251 211 1HB PRO 81 2HB PRO 81 -5.449 -24.595 -4.269 212 2HB PRO 81 3HB PRO 81 -5.268 -25.170 -5.915 213 1HG PRO 81 2HG PRO 81 -3.733 -25.931 -3.506 214 2HG PRO 81 3HG PRO 81 -3.864 -26.775 -5.036 215 1HD PRO 81 2HD PRO 81 -1.646 -25.198 -4.130 216 2HD PRO 81 3HD PRO 81 -1.827 -25.946 -5.705 217 H LEU 82 HN LEU 82 -4.241 -20.982 -5.766 218 HA LEU 82 HA LEU 82 -3.295 -19.843 -3.545 219 1HB LEU 82 2HB LEU 82 -5.419 -19.193 -5.480 220 2HB LEU 82 3HB LEU 82 -5.518 -18.325 -3.961 221 HG LEU 82 HG LEU 82 -4.275 -16.910 -5.318 222 1HD1 LEU 82 1HD1 LEU 82 -3.192 -17.559 -3.074 223 2HD1 LEU 82 2HD1 LEU 82 -1.991 -18.422 -4.064 224 3HD1 LEU 82 3HD1 LEU 82 -2.211 -16.666 -4.261 225 1HD2 LEU 82 1HD2 LEU 82 -3.954 -18.449 -7.189 226 2HD2 LEU 82 2HD2 LEU 82 -2.446 -17.592 -6.791 227 3HD2 LEU 82 3HD2 LEU 82 -2.665 -19.286 -6.291 228 HA PRO 83 HA PRO 83 -5.861 -21.834 -0.545 229 1HB PRO 83 2HB PRO 83 -4.099 -21.641 1.535 230 2HB PRO 83 3HB PRO 83 -4.130 -23.000 0.429 231 1HG PRO 83 2HG PRO 83 -2.200 -20.765 0.565 232 2HG PRO 83 3HG PRO 83 -2.024 -22.321 -0.222 233 1HD PRO 83 2HD PRO 83 -2.573 -19.808 -1.491 234 2HD PRO 83 3HD PRO 83 -2.512 -21.380 -2.263 235 HA PRO 84 HA PRO 84 -7.539 -18.533 1.523 236 1HB PRO 84 2HB PRO 84 -8.551 -19.607 3.823 237 2HB PRO 84 3HB PRO 84 -9.355 -19.734 2.272 238 1HG PRO 84 2HG PRO 84 -7.854 -21.803 3.755 239 2HG PRO 84 3HG PRO 84 -9.001 -22.006 2.447 240 1HD PRO 84 2HD PRO 84 -6.144 -22.182 2.266 241 2HD PRO 84 3HD PRO 84 -7.285 -22.269 0.939 Start of MODEL 4 1 HA PRO 54 HA PRO 54 1.690 0.628 -1.902 2 1HB PRO 54 2HB PRO 54 4.263 -0.141 -1.396 3 2HB PRO 54 3HB PRO 54 3.677 1.486 -1.116 4 1HG PRO 54 2HG PRO 54 4.253 -0.640 0.854 5 2HG PRO 54 3HG PRO 54 4.083 1.084 1.118 6 1HD PRO 54 2HD PRO 54 2.147 -0.944 1.722 7 2HD PRO 54 3HD PRO 54 1.934 0.789 1.877 8 HA PRO 55 HA PRO 55 1.660 -3.186 -3.759 9 1HB PRO 55 2HB PRO 55 3.194 -2.851 -5.995 10 2HB PRO 55 3HB PRO 55 1.532 -2.307 -5.883 11 1HG PRO 55 2HG PRO 55 4.016 -0.708 -5.780 12 2HG PRO 55 3HG PRO 55 2.377 -0.172 -6.095 13 1HD PRO 55 2HD PRO 55 3.843 0.136 -3.649 14 2HD PRO 55 3HD PRO 55 2.168 0.567 -3.928 15 H GLY 56 HN GLY 56 2.992 -3.621 -1.620 16 1HA GLY 56 1HA GLY 56 4.933 -5.553 -2.433 17 2HA GLY 56 2HA GLY 56 5.689 -4.133 -1.737 18 H LEU 57 HN LEU 57 6.369 -5.843 -0.079 19 HA LEU 57 HA LEU 57 4.573 -7.121 1.573 20 1HB LEU 57 2HB LEU 57 7.088 -7.388 1.357 21 2HB LEU 57 3HB LEU 57 7.241 -6.008 2.427 22 HG LEU 57 HG LEU 57 6.473 -7.160 4.277 23 1HD1 LEU 57 1HD1 LEU 57 5.218 -9.342 4.121 24 2HD1 LEU 57 2HD1 LEU 57 4.349 -7.907 3.526 25 3HD1 LEU 57 3HD1 LEU 57 5.078 -9.048 2.371 26 1HD2 LEU 57 1HD2 LEU 57 8.540 -8.135 3.948 27 2HD2 LEU 57 2HD2 LEU 57 7.478 -9.559 4.076 28 3HD2 LEU 57 3HD2 LEU 57 8.023 -8.996 2.478 29 H CYS 58 HN CYS 58 2.860 -6.204 2.578 30 HA CYS 58 HA CYS 58 2.415 -3.622 3.080 31 1HB CYS 58 2HB CYS 58 0.754 -5.392 3.437 32 2HB CYS 58 3HB CYS 58 1.607 -5.942 4.865 33 HA PRO 59 HA PRO 59 5.738 -2.963 5.970 34 1HB PRO 59 2HB PRO 59 5.984 -0.273 5.560 35 2HB PRO 59 3HB PRO 59 6.853 -1.469 4.619 36 1HG PRO 59 2HG PRO 59 4.509 0.156 3.840 37 2HG PRO 59 3HG PRO 59 5.635 -0.709 2.814 38 1HD PRO 59 2HD PRO 59 2.972 -1.520 3.505 39 2HD PRO 59 3HD PRO 59 4.139 -2.439 2.574 40 H ARG 60 HN ARG 60 2.565 -2.389 6.089 41 HA ARG 60 HA ARG 60 2.688 -0.642 8.351 42 1HB ARG 60 2HB ARG 60 0.671 -1.522 6.437 43 2HB ARG 60 3HB ARG 60 0.062 -1.756 8.064 44 1HG ARG 60 2HG ARG 60 1.299 0.856 7.076 45 2HG ARG 60 3HG ARG 60 -0.424 0.536 7.079 46 1HD ARG 60 2HD ARG 60 -0.563 1.113 9.271 47 2HD ARG 60 3HD ARG 60 0.603 -0.122 9.701 48 HE ARG 60 HE ARG 60 1.888 2.218 8.536 49 1HH1 ARG 60 1HH1 ARG 60 2.992 3.439 11.614 50 2HH1 ARG 60 2HH1 ARG 60 3.150 3.556 9.893 51 1HH2 ARG 60 1HH2 ARG 60 1.497 1.925 12.541 52 2HH2 ARG 60 2HH2 ARG 60 0.541 0.911 11.512 53 H CYS 61 HN CYS 61 1.153 -3.890 7.703 54 HA CYS 61 HA CYS 61 1.326 -4.475 10.526 55 1HB CYS 61 2HB CYS 61 -0.076 -6.376 10.055 56 2HB CYS 61 3HB CYS 61 -0.752 -4.971 9.255 57 H LYS 62 HN LYS 62 2.691 -5.426 7.343 58 HA LYS 62 HA LYS 62 4.500 -6.565 6.792 59 1HB LYS 62 2HB LYS 62 5.683 -5.161 8.385 60 2HB LYS 62 3HB LYS 62 5.242 -6.218 9.711 61 1HG LYS 62 2HG LYS 62 6.953 -7.643 9.255 62 2HG LYS 62 3HG LYS 62 6.484 -7.771 7.571 63 1HD LYS 62 2HD LYS 62 7.849 -5.962 6.906 64 2HD LYS 62 3HD LYS 62 7.863 -5.246 8.505 65 1HE LYS 62 2HE LYS 62 9.580 -6.609 9.261 66 2HE LYS 62 3HE LYS 62 9.060 -7.984 8.309 67 1HZ LYS 62 1HZ LYS 62 9.885 -6.822 6.346 68 2HZ LYS 62 2HZ LYS 62 10.438 -5.602 7.281 69 3HZ LYS 62 3HZ LYS 62 11.072 -7.100 7.433 70 H LYS 63 HN LYS 63 2.181 -7.995 7.020 71 HA LYS 63 HA LYS 63 3.221 -10.555 7.958 72 1HB LYS 63 2HB LYS 63 0.893 -9.108 9.055 73 2HB LYS 63 3HB LYS 63 0.567 -10.771 8.609 74 1HG LYS 63 2HG LYS 63 2.101 -11.643 10.154 75 2HG LYS 63 3HG LYS 63 3.105 -10.206 10.136 76 1HD LYS 63 2HD LYS 63 2.059 -9.472 12.006 77 2HD LYS 63 3HD LYS 63 0.560 -9.356 11.106 78 1HE LYS 63 2HE LYS 63 -0.194 -10.918 12.607 79 2HE LYS 63 3HE LYS 63 0.624 -12.062 11.562 80 1HZ LYS 63 1HZ LYS 63 1.164 -11.697 14.152 81 2HZ LYS 63 2HZ LYS 63 2.179 -12.402 13.085 82 3HZ LYS 63 3HZ LYS 63 2.354 -10.821 13.456 83 H GLY 64 HN GLY 64 2.606 -8.852 5.374 84 1HA GLY 64 1HA GLY 64 2.139 -10.923 3.637 85 2HA GLY 64 2HA GLY 64 0.544 -10.318 4.038 86 H TYR 65 HN TYR 65 1.808 -10.177 1.416 87 HA TYR 65 HA TYR 65 2.685 -7.441 1.109 88 1HB TYR 65 2HB TYR 65 2.088 -9.862 -0.695 89 2HB TYR 65 3HB TYR 65 2.620 -8.333 -1.365 90 HD1 TYR 65 HD1 TYR 65 4.925 -7.642 -1.240 91 HD2 TYR 65 HD2 TYR 65 3.624 -11.200 0.750 92 HE1 TYR 65 HE1 TYR 65 7.344 -8.332 -0.875 93 HE2 TYR 65 HE2 TYR 65 6.048 -11.877 1.108 94 HH TYR 65 HH TYR 65 8.687 -9.737 0.085 95 H HIS 66 HN HIS 66 1.397 -5.729 0.633 96 HA HIS 66 HA HIS 66 -0.698 -5.769 -1.118 97 1HB HIS 66 2HB HIS 66 -2.647 -5.562 0.486 98 2HB HIS 66 3HB HIS 66 -2.016 -7.175 0.217 99 HD1 HIS 66 HD1 HIS 66 -1.346 -8.495 2.259 100 HD2 HIS 66 HD2 HIS 66 -1.735 -4.393 3.050 101 HE1 HIS 66 HE1 HIS 66 -1.103 -8.228 4.785 102 H TRP 67 HN TRP 67 -2.140 -3.692 -0.793 103 HA TRP 67 HA TRP 67 -0.303 -1.568 -0.282 104 1HB TRP 67 2HB TRP 67 -3.140 -1.770 -1.239 105 2HB TRP 67 3HB TRP 67 -2.482 -0.219 -0.756 106 HD1 TRP 67 HD1 TRP 67 -1.807 -3.000 -3.389 107 HE1 TRP 67 HE1 TRP 67 -0.573 -2.009 -5.500 108 HE3 TRP 67 HE3 TRP 67 -1.148 1.663 -1.470 109 HZ2 TRP 67 HZ2 TRP 67 0.516 0.556 -6.117 110 HZ3 TRP 67 HZ3 TRP 67 0.010 3.351 -2.892 111 HH2 TRP 67 HH2 TRP 67 0.830 2.860 -5.142 112 H LYS 68 HN LYS 68 -0.524 0.074 1.370 113 HA LYS 68 HA LYS 68 -1.060 -0.867 3.890 114 1HB LYS 68 2HB LYS 68 0.294 0.991 3.852 115 2HB LYS 68 3HB LYS 68 -0.681 1.832 2.664 116 1HG LYS 68 2HG LYS 68 -2.440 2.262 4.341 117 2HG LYS 68 3HG LYS 68 -1.587 1.301 5.533 118 1HD LYS 68 2HD LYS 68 -0.350 3.097 6.145 119 2HD LYS 68 3HD LYS 68 0.264 3.263 4.512 120 1HE LYS 68 2HE LYS 68 -2.253 4.305 4.175 121 2HE LYS 68 3HE LYS 68 -1.977 4.722 5.854 122 1HZ LYS 68 1HZ LYS 68 -0.233 5.403 3.591 123 2HZ LYS 68 2HZ LYS 68 -1.146 6.436 4.467 124 3HZ LYS 68 3HZ LYS 68 0.140 5.701 5.153 125 H SER 69 HN SER 69 -3.180 1.123 1.724 126 HA SER 69 HA SER 69 -5.281 1.160 3.568 127 1HB SER 69 2HB SER 69 -4.907 2.752 1.614 128 2HB SER 69 3HB SER 69 -5.457 1.480 0.541 129 HG SER 69 HG SER 69 -6.941 2.928 2.531 130 H GLU 70 HN GLU 70 -4.073 -1.222 1.309 131 HA GLU 70 HA GLU 70 -6.595 -2.578 1.139 132 1HB GLU 70 2HB GLU 70 -3.815 -3.136 0.043 133 2HB GLU 70 3HB GLU 70 -5.109 -4.309 -0.105 134 1HG GLU 70 2HG GLU 70 -5.497 -1.427 -0.999 135 2HG GLU 70 3HG GLU 70 -4.754 -2.608 -2.059 136 H CYS 71 HN CYS 71 -4.222 -2.257 3.483 137 HA CYS 71 HA CYS 71 -3.679 -4.840 4.278 138 1HB CYS 71 2HB CYS 71 -2.501 -2.897 5.177 139 2HB CYS 71 3HB CYS 71 -3.961 -2.331 5.964 140 H LYS 72 HN LYS 72 -5.142 -6.436 4.776 141 HA LYS 72 HA LYS 72 -7.697 -5.580 5.934 142 1HB LYS 72 2HB LYS 72 -6.910 -7.674 3.984 143 2HB LYS 72 3HB LYS 72 -8.120 -8.147 5.159 144 1HG LYS 72 2HG LYS 72 -8.360 -5.520 3.646 145 2HG LYS 72 3HG LYS 72 -8.919 -7.021 2.935 146 1HD LYS 72 2HD LYS 72 -10.617 -7.320 4.549 147 2HD LYS 72 3HD LYS 72 -9.803 -6.330 5.744 148 1HE LYS 72 2HE LYS 72 -10.575 -4.328 4.831 149 2HE LYS 72 3HE LYS 72 -10.618 -4.959 3.197 150 1HZ LYS 72 1HZ LYS 72 -12.793 -4.605 4.446 151 2HZ LYS 72 2HZ LYS 72 -12.621 -5.978 3.580 152 3HZ LYS 72 3HZ LYS 72 -12.454 -6.011 5.204 153 H SER 73 HN SER 73 -4.824 -6.202 7.110 154 HA SER 73 HA SER 73 -5.301 -8.497 8.685 155 1HB SER 73 2HB SER 73 -3.121 -6.650 8.162 156 2HB SER 73 3HB SER 73 -3.282 -6.875 9.892 157 HG SER 73 HG SER 73 -3.452 -9.238 8.348 158 H LYS 74 HN LYS 74 -5.687 -8.569 11.009 159 HA LYS 74 HA LYS 74 -7.521 -6.597 11.872 160 1HB LYS 74 2HB LYS 74 -7.195 -9.193 12.436 161 2HB LYS 74 3HB LYS 74 -6.303 -8.533 13.791 162 1HG LYS 74 2HG LYS 74 -9.039 -7.418 13.103 163 2HG LYS 74 3HG LYS 74 -8.911 -8.915 14.005 164 1HD LYS 74 2HD LYS 74 -7.880 -7.874 15.860 165 2HD LYS 74 3HD LYS 74 -7.291 -6.524 14.910 166 1HE LYS 74 2HE LYS 74 -9.136 -5.714 16.269 167 2HE LYS 74 3HE LYS 74 -9.684 -5.750 14.605 168 1HZ LYS 74 1HZ LYS 74 -10.783 -7.064 16.757 169 2HZ LYS 74 2HZ LYS 74 -11.254 -7.151 15.195 170 3HZ LYS 74 3HZ LYS 74 -10.178 -8.229 15.785 171 H PHE 75 HN PHE 75 -4.101 -7.414 12.712 172 HA PHE 75 HA PHE 75 -3.954 -4.757 13.952 173 1HB PHE 75 2HB PHE 75 -3.296 -7.513 14.866 174 2HB PHE 75 3HB PHE 75 -1.922 -6.436 15.019 175 HD1 PHE 75 HD1 PHE 75 -1.809 -6.318 17.377 176 HD2 PHE 75 HD2 PHE 75 -5.459 -5.426 15.406 177 HE1 PHE 75 HE1 PHE 75 -2.750 -5.423 19.525 178 HE2 PHE 75 HE2 PHE 75 -6.400 -4.530 17.554 179 HZ PHE 75 HZ PHE 75 -5.034 -4.539 19.588 180 H ASP 76 HN ASP 76 -1.580 -3.966 14.076 181 HA ASP 76 HA ASP 76 -0.084 -4.983 11.806 182 1HB ASP 76 2HB ASP 76 0.247 -2.826 10.867 183 2HB ASP 76 3HB ASP 76 -1.459 -2.859 11.265 184 H LYS 77 HN LYS 77 2.152 -3.366 11.900 185 HA LYS 77 HA LYS 77 3.703 -4.250 13.870 186 1HB LYS 77 2HB LYS 77 3.721 -1.666 12.334 187 2HB LYS 77 3HB LYS 77 4.922 -1.942 13.579 188 1HG LYS 77 2HG LYS 77 4.932 -4.366 12.192 189 2HG LYS 77 3HG LYS 77 4.653 -3.203 10.911 190 1HD LYS 77 2HD LYS 77 6.755 -2.387 12.855 191 2HD LYS 77 3HD LYS 77 7.139 -3.841 11.955 192 1HE LYS 77 2HE LYS 77 7.887 -2.360 10.367 193 2HE LYS 77 3HE LYS 77 6.197 -2.287 9.911 194 1HZ LYS 77 1HZ LYS 77 7.159 -0.109 10.279 195 2HZ LYS 77 2HZ LYS 77 5.932 -0.385 11.321 196 3HZ LYS 77 3HZ LYS 77 7.478 -0.476 11.839 197 H ASP 78 HN ASP 78 4.463 -3.506 15.949 198 HA ASP 78 HA ASP 78 4.217 -2.762 17.969 199 1HB ASP 78 2HB ASP 78 4.328 -0.496 17.240 200 2HB ASP 78 3HB ASP 78 2.758 -0.570 16.467 201 H GLY 79 HN GLY 79 1.967 -4.329 16.332 202 1HA GLY 79 1HA GLY 79 0.005 -5.325 16.784 203 2HA GLY 79 2HA GLY 79 0.325 -5.003 18.476 204 H ASN 80 HN ASN 80 -0.164 -2.658 15.757 205 HA ASN 80 HA ASN 80 -2.049 -1.273 17.394 206 1HB ASN 80 2HB ASN 80 -0.686 -0.795 14.734 207 2HB ASN 80 3HB ASN 80 -2.150 0.106 15.073 208 1HD2 ASN 80 1HD2 ASN 80 1.168 -0.069 15.473 209 2HD2 ASN 80 2HD2 ASN 80 1.401 1.145 16.686 210 HA PRO 81 HA PRO 81 -5.524 -3.056 15.391 211 1HB PRO 81 2HB PRO 81 -7.463 -1.224 15.986 212 2HB PRO 81 3HB PRO 81 -6.929 -2.454 17.114 213 1HG PRO 81 2HG PRO 81 -6.321 0.439 17.102 214 2HG PRO 81 3HG PRO 81 -6.164 -0.711 18.416 215 1HD PRO 81 2HD PRO 81 -4.044 0.354 16.803 216 2HD PRO 81 3HD PRO 81 -3.902 -0.881 18.038 217 H LEU 82 HN LEU 82 -5.270 -3.276 13.237 218 HA LEU 82 HA LEU 82 -4.778 -1.346 11.460 219 1HB LEU 82 2HB LEU 82 -5.905 -3.997 11.422 220 2HB LEU 82 3HB LEU 82 -6.673 -3.003 10.199 221 HG LEU 82 HG LEU 82 -4.911 -3.959 9.048 222 1HD1 LEU 82 1HD1 LEU 82 -4.834 -1.231 9.469 223 2HD1 LEU 82 2HD1 LEU 82 -3.147 -1.732 9.732 224 3HD1 LEU 82 3HD1 LEU 82 -3.964 -2.127 8.201 225 1HD2 LEU 82 1HD2 LEU 82 -3.281 -3.624 11.567 226 2HD2 LEU 82 2HD2 LEU 82 -3.748 -5.124 10.731 227 3HD2 LEU 82 3HD2 LEU 82 -2.549 -4.033 9.997 228 HA PRO 83 HA PRO 83 -8.361 1.166 12.090 229 1HB PRO 83 2HB PRO 83 -7.222 3.521 11.300 230 2HB PRO 83 3HB PRO 83 -7.186 2.947 12.955 231 1HG PRO 83 2HG PRO 83 -5.010 2.971 10.953 232 2HG PRO 83 3HG PRO 83 -4.898 2.808 12.694 233 1HD PRO 83 2HD PRO 83 -4.643 0.710 10.755 234 2HD PRO 83 3HD PRO 83 -4.647 0.531 12.498 235 HA PRO 84 HA PRO 84 -9.950 1.546 8.171 236 1HB PRO 84 2HB PRO 84 -11.534 3.772 8.232 237 2HB PRO 84 3HB PRO 84 -12.027 2.226 8.894 238 1HG PRO 84 2HG PRO 84 -11.150 4.660 10.324 239 2HG PRO 84 3HG PRO 84 -12.035 3.281 10.945 240 1HD PRO 84 2HD PRO 84 -9.251 3.850 11.335 241 2HD PRO 84 3HD PRO 84 -10.110 2.415 11.857 Start of MODEL 5 1 HA PRO 54 HA PRO 54 1.690 0.628 -1.902 2 1HB PRO 54 2HB PRO 54 4.263 -0.141 -1.396 3 2HB PRO 54 3HB PRO 54 3.677 1.486 -1.116 4 1HG PRO 54 2HG PRO 54 4.253 -0.640 0.854 5 2HG PRO 54 3HG PRO 54 4.083 1.084 1.118 6 1HD PRO 54 2HD PRO 54 2.147 -0.944 1.722 7 2HD PRO 54 3HD PRO 54 1.934 0.789 1.877 8 HA PRO 55 HA PRO 55 1.106 -3.689 -2.679 9 1HB PRO 55 2HB PRO 55 -0.962 -3.485 -4.454 10 2HB PRO 55 3HB PRO 55 -1.195 -3.745 -2.737 11 1HG PRO 55 2HG PRO 55 -1.594 -1.273 -4.308 12 2HG PRO 55 3HG PRO 55 -2.210 -1.674 -2.717 13 1HD PRO 55 2HD PRO 55 -0.016 0.073 -3.316 14 2HD PRO 55 3HD PRO 55 -0.559 -0.420 -1.725 15 H GLY 56 HN GLY 56 0.237 -1.698 -5.458 16 1HA GLY 56 1HA GLY 56 1.313 -1.380 -7.415 17 2HA GLY 56 2HA GLY 56 2.787 -1.989 -6.688 18 H LEU 57 HN LEU 57 -0.476 -3.218 -7.737 19 HA LEU 57 HA LEU 57 0.455 -5.850 -8.118 20 1HB LEU 57 2HB LEU 57 -1.901 -5.064 -7.680 21 2HB LEU 57 3HB LEU 57 -1.968 -4.544 -9.352 22 HG LEU 57 HG LEU 57 -2.030 -6.695 -10.182 23 1HD1 LEU 57 1HD1 LEU 57 -0.085 -7.693 -9.378 24 2HD1 LEU 57 2HD1 LEU 57 -0.572 -7.507 -7.676 25 3HD1 LEU 57 3HD1 LEU 57 -1.384 -8.709 -8.708 26 1HD2 LEU 57 1HD2 LEU 57 -4.006 -7.286 -9.361 27 2HD2 LEU 57 2HD2 LEU 57 -3.277 -7.798 -7.819 28 3HD2 LEU 57 3HD2 LEU 57 -3.759 -6.101 -8.056 29 H CYS 58 HN CYS 58 2.069 -6.324 -9.523 30 HA CYS 58 HA CYS 58 2.971 -4.854 -11.569 31 1HB CYS 58 2HB CYS 58 4.072 -6.890 -10.759 32 2HB CYS 58 3HB CYS 58 2.818 -7.885 -11.474 33 HA PRO 59 HA PRO 59 -0.668 -5.051 -14.122 34 1HB PRO 59 2HB PRO 59 -0.174 -2.775 -15.552 35 2HB PRO 59 3HB PRO 59 -1.057 -2.783 -14.039 36 1HG PRO 59 2HG PRO 59 1.717 -1.905 -14.561 37 2HG PRO 59 3HG PRO 59 0.688 -1.537 -13.191 38 1HD PRO 59 2HD PRO 59 2.852 -3.418 -13.255 39 2HD PRO 59 3HD PRO 59 1.751 -3.133 -11.923 40 H ARG 60 HN ARG 60 2.443 -5.733 -14.669 41 HA ARG 60 HA ARG 60 2.204 -5.815 -17.518 42 1HB ARG 60 2HB ARG 60 4.352 -5.906 -15.558 43 2HB ARG 60 3HB ARG 60 4.500 -7.294 -16.618 44 1HG ARG 60 2HG ARG 60 3.864 -5.087 -18.314 45 2HG ARG 60 3HG ARG 60 5.064 -4.490 -17.185 46 1HD ARG 60 2HD ARG 60 5.611 -7.202 -18.336 47 2HD ARG 60 3HD ARG 60 5.690 -5.868 -19.470 48 HE ARG 60 HE ARG 60 7.129 -5.360 -16.963 49 1HH1 ARG 60 1HH1 ARG 60 10.249 -5.655 -18.499 50 2HH1 ARG 60 2HH1 ARG 60 9.402 -5.151 -17.074 51 1HH2 ARG 60 1HH2 ARG 60 9.075 -6.542 -20.294 52 2HH2 ARG 60 2HH2 ARG 60 7.352 -6.700 -20.209 53 H CYS 61 HN CYS 61 3.149 -8.282 -15.001 54 HA CYS 61 HA CYS 61 2.226 -10.377 -16.734 55 1HB CYS 61 2HB CYS 61 3.129 -11.895 -15.064 56 2HB CYS 61 3HB CYS 61 4.305 -10.653 -15.445 57 H LYS 62 HN LYS 62 1.264 -8.603 -13.777 58 HA LYS 62 HA LYS 62 -0.606 -8.555 -12.605 59 1HB LYS 62 2HB LYS 62 -1.424 -8.531 -15.185 60 2HB LYS 62 3HB LYS 62 -2.255 -9.971 -14.632 61 1HG LYS 62 2HG LYS 62 -2.404 -7.672 -12.743 62 2HG LYS 62 3HG LYS 62 -3.181 -7.386 -14.287 63 1HD LYS 62 2HD LYS 62 -3.699 -9.947 -12.731 64 2HD LYS 62 3HD LYS 62 -4.589 -8.481 -12.371 65 1HE LYS 62 2HE LYS 62 -5.936 -8.774 -14.177 66 2HE LYS 62 3HE LYS 62 -4.557 -8.898 -15.252 67 1HZ LYS 62 1HZ LYS 62 -5.699 -11.082 -13.654 68 2HZ LYS 62 2HZ LYS 62 -5.784 -10.918 -15.276 69 3HZ LYS 62 3HZ LYS 62 -4.347 -11.217 -14.559 70 H LYS 63 HN LYS 63 1.182 -10.588 -11.978 71 HA LYS 63 HA LYS 63 -0.698 -12.651 -11.103 72 1HB LYS 63 2HB LYS 63 1.680 -13.004 -12.825 73 2HB LYS 63 3HB LYS 63 1.595 -14.096 -11.458 74 1HG LYS 63 2HG LYS 63 -0.478 -15.025 -12.154 75 2HG LYS 63 3HG LYS 63 -0.872 -13.646 -13.161 76 1HD LYS 63 2HD LYS 63 1.638 -14.859 -14.047 77 2HD LYS 63 3HD LYS 63 0.373 -16.069 -13.975 78 1HE LYS 63 2HE LYS 63 -0.970 -13.942 -15.148 79 2HE LYS 63 3HE LYS 63 0.647 -13.727 -15.789 80 1HZ LYS 63 1HZ LYS 63 0.308 -16.344 -16.063 81 2HZ LYS 63 2HZ LYS 63 -1.228 -15.833 -16.279 82 3HZ LYS 63 3HZ LYS 63 -0.034 -15.257 -17.233 83 H GLY 64 HN GLY 64 0.954 -10.096 -10.154 84 1HA GLY 64 1HA GLY 64 1.174 -10.812 -7.486 85 2HA GLY 64 2HA GLY 64 2.758 -11.068 -8.191 86 H TYR 65 HN TYR 65 2.479 -9.137 -6.216 87 HA TYR 65 HA TYR 65 2.219 -6.584 -7.604 88 1HB TYR 65 2HB TYR 65 2.582 -7.563 -4.708 89 2HB TYR 65 3HB TYR 65 2.571 -5.857 -5.107 90 HD1 TYR 65 HD1 TYR 65 0.499 -4.737 -5.807 91 HD2 TYR 65 HD2 TYR 65 0.531 -8.889 -4.774 92 HE1 TYR 65 HE1 TYR 65 -2.037 -4.718 -5.623 93 HE2 TYR 65 HE2 TYR 65 -2.005 -8.856 -4.594 94 HH TYR 65 HH TYR 65 -3.803 -7.683 -4.761 95 H HIS 66 HN HIS 66 3.971 -5.535 -8.391 96 HA HIS 66 HA HIS 66 6.306 -5.175 -6.997 97 1HB HIS 66 2HB HIS 66 7.877 -6.610 -8.335 98 2HB HIS 66 3HB HIS 66 6.885 -7.456 -7.164 99 HD1 HIS 66 HD1 HIS 66 5.638 -9.458 -8.016 100 HD2 HIS 66 HD2 HIS 66 6.753 -6.846 -11.104 101 HE1 HIS 66 HE1 HIS 66 4.991 -10.612 -10.198 102 H TRP 67 HN TRP 67 8.157 -4.429 -8.668 103 HA TRP 67 HA TRP 67 6.792 -2.591 -10.426 104 1HB TRP 67 2HB TRP 67 9.668 -2.918 -9.573 105 2HB TRP 67 3HB TRP 67 9.156 -1.751 -10.776 106 HD1 TRP 67 HD1 TRP 67 8.875 -2.427 -6.989 107 HE1 TRP 67 HE1 TRP 67 8.116 -0.261 -5.686 108 HE3 TRP 67 HE3 TRP 67 7.888 0.355 -11.129 109 HZ2 TRP 67 HZ2 TRP 67 7.208 2.314 -6.515 110 HZ3 TRP 67 HZ3 TRP 67 7.069 2.686 -10.794 111 HH2 TRP 67 HH2 TRP 67 6.726 3.672 -8.585 112 H LYS 68 HN LYS 68 7.225 -2.461 -12.732 113 HA LYS 68 HA LYS 68 7.176 -4.879 -14.043 114 1HB LYS 68 2HB LYS 68 8.047 -2.186 -15.135 115 2HB LYS 68 3HB LYS 68 7.512 -3.559 -16.083 116 1HG LYS 68 2HG LYS 68 5.286 -3.273 -15.514 117 2HG LYS 68 3HG LYS 68 5.656 -2.716 -13.894 118 1HD LYS 68 2HD LYS 68 6.144 -0.492 -14.637 119 2HD LYS 68 3HD LYS 68 6.318 -0.992 -16.308 120 1HE LYS 68 2HE LYS 68 3.886 -1.509 -16.430 121 2HE LYS 68 3HE LYS 68 3.694 -1.084 -14.741 122 1HZ LYS 68 1HZ LYS 68 3.338 0.633 -16.673 123 2HZ LYS 68 2HZ LYS 68 3.879 1.093 -15.202 124 3HZ LYS 68 3HZ LYS 68 4.932 0.898 -16.435 125 H SER 69 HN SER 69 9.965 -2.634 -13.488 126 HA SER 69 HA SER 69 11.771 -4.278 -14.840 127 1HB SER 69 2HB SER 69 13.505 -2.875 -13.645 128 2HB SER 69 3HB SER 69 12.302 -1.948 -14.521 129 HG SER 69 HG SER 69 11.250 -1.422 -12.584 130 H GLU 70 HN GLU 70 10.259 -4.455 -11.708 131 HA GLU 70 HA GLU 70 12.378 -6.128 -10.673 132 1HB GLU 70 2HB GLU 70 9.880 -4.909 -9.443 133 2HB GLU 70 3HB GLU 70 10.820 -6.121 -8.596 134 1HG GLU 70 2HG GLU 70 12.425 -3.890 -9.759 135 2HG GLU 70 3HG GLU 70 11.315 -3.409 -8.490 136 H CYS 71 HN CYS 71 9.666 -6.439 -12.636 137 HA CYS 71 HA CYS 71 8.260 -8.556 -11.637 138 1HB CYS 71 2HB CYS 71 7.582 -7.322 -13.634 139 2HB CYS 71 3HB CYS 71 8.953 -7.946 -14.529 140 H LYS 72 HN LYS 72 8.991 -10.535 -10.946 141 HA LYS 72 HA LYS 72 11.395 -11.589 -12.260 142 1HB LYS 72 2HB LYS 72 11.265 -11.012 -9.696 143 2HB LYS 72 3HB LYS 72 10.407 -12.535 -9.584 144 1HG LYS 72 2HG LYS 72 12.503 -13.307 -11.169 145 2HG LYS 72 3HG LYS 72 13.275 -12.016 -10.271 146 1HD LYS 72 2HD LYS 72 13.633 -13.615 -8.676 147 2HD LYS 72 3HD LYS 72 11.963 -13.322 -8.232 148 1HE LYS 72 2HE LYS 72 11.172 -15.224 -9.433 149 2HE LYS 72 3HE LYS 72 12.616 -15.321 -10.421 150 1HZ LYS 72 1HZ LYS 72 12.173 -16.292 -7.758 151 2HZ LYS 72 2HZ LYS 72 13.151 -16.872 -8.930 152 3HZ LYS 72 3HZ LYS 72 13.639 -15.617 -8.005 153 H SER 73 HN SER 73 8.278 -11.688 -12.835 154 HA SER 73 HA SER 73 7.647 -14.404 -12.484 155 1HB SER 73 2HB SER 73 6.366 -12.003 -13.470 156 2HB SER 73 3HB SER 73 6.114 -13.286 -14.637 157 HG SER 73 HG SER 73 5.044 -14.527 -13.125 158 H LYS 74 HN LYS 74 6.766 -15.525 -14.774 159 HA LYS 74 HA LYS 74 9.217 -15.941 -16.234 160 1HB LYS 74 2HB LYS 74 6.711 -17.395 -15.746 161 2HB LYS 74 3HB LYS 74 7.275 -17.523 -17.400 162 1HG LYS 74 2HG LYS 74 9.060 -18.822 -16.814 163 2HG LYS 74 3HG LYS 74 9.482 -17.789 -15.463 164 1HD LYS 74 2HD LYS 74 8.143 -18.966 -13.949 165 2HD LYS 74 3HD LYS 74 7.004 -19.475 -15.180 166 1HE LYS 74 2HE LYS 74 9.647 -20.582 -15.753 167 2HE LYS 74 3HE LYS 74 9.177 -20.978 -14.112 168 1HZ LYS 74 1HZ LYS 74 7.264 -21.322 -16.286 169 2HZ LYS 74 2HZ LYS 74 8.406 -22.459 -16.018 170 3HZ LYS 74 3HZ LYS 74 7.329 -22.090 -14.847 171 H PHE 75 HN PHE 75 5.770 -15.317 -17.218 172 HA PHE 75 HA PHE 75 6.851 -13.529 -19.270 173 1HB PHE 75 2HB PHE 75 4.888 -15.872 -19.420 174 2HB PHE 75 3HB PHE 75 4.782 -14.583 -20.602 175 HD1 PHE 75 HD1 PHE 75 6.576 -14.245 -22.238 176 HD2 PHE 75 HD2 PHE 75 6.719 -17.447 -19.457 177 HE1 PHE 75 HE1 PHE 75 8.356 -15.360 -23.613 178 HE2 PHE 75 HE2 PHE 75 8.499 -18.562 -20.832 179 HZ PHE 75 HZ PHE 75 9.296 -17.505 -22.894 180 H ASP 76 HN ASP 76 5.325 -11.877 -20.015 181 HA ASP 76 HA ASP 76 3.184 -11.491 -18.073 182 1HB ASP 76 2HB ASP 76 3.629 -9.168 -18.024 183 2HB ASP 76 3HB ASP 76 5.228 -9.885 -18.032 184 H LYS 77 HN LYS 77 1.720 -9.476 -19.227 185 HA LYS 77 HA LYS 77 0.155 -10.555 -21.083 186 1HB LYS 77 2HB LYS 77 0.358 -8.102 -19.899 187 2HB LYS 77 3HB LYS 77 0.684 -7.685 -21.569 188 1HG LYS 77 2HG LYS 77 -1.424 -9.264 -22.047 189 2HG LYS 77 3HG LYS 77 -1.805 -8.915 -20.372 190 1HD LYS 77 2HD LYS 77 -1.023 -6.492 -21.869 191 2HD LYS 77 3HD LYS 77 -2.414 -7.290 -22.577 192 1HE LYS 77 2HE LYS 77 -2.538 -7.122 -19.616 193 2HE LYS 77 3HE LYS 77 -2.490 -5.555 -20.399 194 1HZ LYS 77 1HZ LYS 77 -4.383 -6.092 -21.644 195 2HZ LYS 77 2HZ LYS 77 -4.331 -7.675 -21.245 196 3HZ LYS 77 3HZ LYS 77 -4.727 -6.561 -20.118 197 H ASP 78 HN ASP 78 -0.094 -10.400 -23.429 198 HA ASP 78 HA ASP 78 0.599 -10.592 -25.474 199 1HB ASP 78 2HB ASP 78 1.422 -8.370 -25.557 200 2HB ASP 78 3HB ASP 78 2.709 -8.700 -24.414 201 H GLY 79 HN GLY 79 1.887 -12.098 -22.931 202 1HA GLY 79 1HA GLY 79 3.233 -13.868 -22.614 203 2HA GLY 79 2HA GLY 79 3.213 -14.111 -24.349 204 H ASN 80 HN ASN 80 4.411 -11.191 -22.600 205 HA ASN 80 HA ASN 80 6.817 -11.322 -24.080 206 1HB ASN 80 2HB ASN 80 5.620 -9.491 -21.989 207 2HB ASN 80 3HB ASN 80 7.348 -9.385 -22.265 208 1HD2 ASN 80 1HD2 ASN 80 4.279 -8.472 -23.294 209 2HD2 ASN 80 2HD2 ASN 80 4.673 -7.731 -24.809 210 HA PRO 81 HA PRO 81 9.026 -13.571 -21.015 211 1HB PRO 81 2HB PRO 81 11.578 -13.210 -21.924 212 2HB PRO 81 3HB PRO 81 10.489 -14.416 -22.580 213 1HG PRO 81 2HG PRO 81 11.318 -11.833 -23.754 214 2HG PRO 81 3HG PRO 81 10.593 -13.216 -24.547 215 1HD PRO 81 2HD PRO 81 9.282 -10.769 -23.826 216 2HD PRO 81 3HD PRO 81 8.533 -12.197 -24.513 217 H LEU 82 HN LEU 82 9.792 -13.330 -18.974 218 HA LEU 82 HA LEU 82 10.576 -10.561 -18.402 219 1HB LEU 82 2HB LEU 82 9.203 -12.676 -16.758 220 2HB LEU 82 3HB LEU 82 9.961 -11.278 -16.023 221 HG LEU 82 HG LEU 82 8.304 -9.877 -16.629 222 1HD1 LEU 82 1HD1 LEU 82 7.985 -11.428 -19.212 223 2HD1 LEU 82 2HD1 LEU 82 7.071 -9.965 -18.774 224 3HD1 LEU 82 3HD1 LEU 82 8.837 -9.882 -18.985 225 1HD2 LEU 82 1HD2 LEU 82 6.137 -10.863 -16.543 226 2HD2 LEU 82 2HD2 LEU 82 6.744 -12.412 -17.177 227 3HD2 LEU 82 3HD2 LEU 82 7.217 -11.870 -15.549 228 HA PRO 83 HA PRO 83 14.483 -11.950 -17.213 229 1HB PRO 83 2HB PRO 83 15.200 -10.159 -15.278 230 2HB PRO 83 3HB PRO 83 15.281 -9.802 -16.991 231 1HG PRO 83 2HG PRO 83 13.308 -8.872 -14.996 232 2HG PRO 83 3HG PRO 83 13.662 -8.211 -16.580 233 1HD PRO 83 2HD PRO 83 11.405 -9.828 -15.860 234 2HD PRO 83 3HD PRO 83 11.820 -9.265 -17.466 235 HA PRO 84 HA PRO 84 14.509 -14.476 -13.803 236 1HB PRO 84 2HB PRO 84 17.128 -14.609 -13.033 237 2HB PRO 84 3HB PRO 84 16.480 -15.514 -14.387 238 1HG PRO 84 2HG PRO 84 18.183 -13.098 -14.418 239 2HG PRO 84 3HG PRO 84 17.881 -14.245 -15.708 240 1HD PRO 84 2HD PRO 84 16.745 -11.625 -15.441 241 2HD PRO 84 3HD PRO 84 16.356 -12.817 -16.666 Start of MODEL 6 1 HA PRO 54 HA PRO 54 1.690 0.628 -1.902 2 1HB PRO 54 2HB PRO 54 4.263 -0.141 -1.396 3 2HB PRO 54 3HB PRO 54 3.677 1.486 -1.116 4 1HG PRO 54 2HG PRO 54 4.253 -0.640 0.854 5 2HG PRO 54 3HG PRO 54 4.083 1.084 1.118 6 1HD PRO 54 2HD PRO 54 2.147 -0.944 1.722 7 2HD PRO 54 3HD PRO 54 1.934 0.789 1.877 8 HA PRO 55 HA PRO 55 1.149 -3.737 -2.581 9 1HB PRO 55 2HB PRO 55 -1.109 -3.643 -4.117 10 2HB PRO 55 3HB PRO 55 -1.138 -3.915 -2.386 11 1HG PRO 55 2HG PRO 55 -1.836 -1.467 -3.889 12 2HG PRO 55 3HG PRO 55 -2.252 -1.900 -2.243 13 1HD PRO 55 2HD PRO 55 -0.232 -0.040 -3.070 14 2HD PRO 55 3HD PRO 55 -0.570 -0.560 -1.431 15 H GLY 56 HN GLY 56 3.070 -3.850 -3.714 16 1HA GLY 56 1HA GLY 56 3.028 -2.747 -6.413 17 2HA GLY 56 2HA GLY 56 4.393 -3.439 -5.560 18 H LEU 57 HN LEU 57 1.068 -4.562 -6.542 19 HA LEU 57 HA LEU 57 1.931 -7.224 -6.895 20 1HB LEU 57 2HB LEU 57 -0.390 -6.349 -6.365 21 2HB LEU 57 3HB LEU 57 -0.529 -5.929 -8.061 22 HG LEU 57 HG LEU 57 -0.651 -8.129 -8.756 23 1HD1 LEU 57 1HD1 LEU 57 0.746 -8.913 -6.188 24 2HD1 LEU 57 2HD1 LEU 57 0.062 -10.077 -7.348 25 3HD1 LEU 57 3HD1 LEU 57 1.381 -8.992 -7.849 26 1HD2 LEU 57 1HD2 LEU 57 -1.918 -7.945 -6.022 27 2HD2 LEU 57 2HD2 LEU 57 -2.674 -7.741 -7.621 28 3HD2 LEU 57 3HD2 LEU 57 -2.140 -9.353 -7.088 29 H CYS 58 HN CYS 58 3.425 -7.804 -8.383 30 HA CYS 58 HA CYS 58 4.185 -6.353 -10.546 31 1HB CYS 58 2HB CYS 58 5.420 -8.292 -9.646 32 2HB CYS 58 3HB CYS 58 4.206 -9.379 -10.291 33 HA PRO 59 HA PRO 59 0.461 -6.893 -12.900 34 1HB PRO 59 2HB PRO 59 0.846 -4.784 -14.595 35 2HB PRO 59 3HB PRO 59 0.043 -4.633 -13.044 36 1HG PRO 59 2HG PRO 59 2.773 -3.793 -13.808 37 2HG PRO 59 3HG PRO 59 1.812 -3.286 -12.433 38 1HD PRO 59 2HD PRO 59 3.998 -5.144 -12.407 39 2HD PRO 59 3HD PRO 59 2.963 -4.724 -11.056 40 H ARG 60 HN ARG 60 3.548 -7.605 -13.535 41 HA ARG 60 HA ARG 60 3.108 -8.046 -16.339 42 1HB ARG 60 2HB ARG 60 5.410 -7.756 -14.575 43 2HB ARG 60 3HB ARG 60 5.565 -9.253 -15.473 44 1HG ARG 60 2HG ARG 60 6.595 -7.427 -16.751 45 2HG ARG 60 3HG ARG 60 5.187 -8.017 -17.612 46 1HD ARG 60 2HD ARG 60 3.847 -6.130 -16.464 47 2HD ARG 60 3HD ARG 60 5.383 -5.483 -15.924 48 HE ARG 60 HE ARG 60 5.872 -4.808 -18.127 49 1HH1 ARG 60 1HH1 ARG 60 3.975 -5.180 -21.032 50 2HH1 ARG 60 2HH1 ARG 60 5.342 -4.398 -20.311 51 1HH2 ARG 60 1HH2 ARG 60 2.682 -6.644 -19.779 52 2HH2 ARG 60 2HH2 ARG 60 3.084 -6.955 -18.123 53 H CYS 61 HN CYS 61 4.387 -10.070 -13.584 54 HA CYS 61 HA CYS 61 3.515 -12.445 -14.938 55 1HB CYS 61 2HB CYS 61 4.565 -13.636 -13.064 56 2HB CYS 61 3HB CYS 61 5.657 -12.466 -13.779 57 H LYS 62 HN LYS 62 2.608 -10.349 -12.171 58 HA LYS 62 HA LYS 62 0.821 -10.268 -10.879 59 1HB LYS 62 2HB LYS 62 -0.229 -11.320 -13.446 60 2HB LYS 62 3HB LYS 62 -1.278 -11.528 -12.059 61 1HG LYS 62 2HG LYS 62 -0.500 -8.942 -11.639 62 2HG LYS 62 3HG LYS 62 -0.357 -9.001 -13.384 63 1HD LYS 62 2HD LYS 62 -2.790 -10.238 -13.059 64 2HD LYS 62 3HD LYS 62 -2.803 -9.166 -11.673 65 1HE LYS 62 2HE LYS 62 -1.855 -7.857 -14.164 66 2HE LYS 62 3HE LYS 62 -3.502 -8.444 -14.271 67 1HZ LYS 62 1HZ LYS 62 -3.444 -7.300 -11.854 68 2HZ LYS 62 2HZ LYS 62 -2.451 -6.315 -12.698 69 3HZ LYS 62 3HZ LYS 62 -3.979 -6.571 -13.214 70 H LYS 63 HN LYS 63 2.763 -12.313 -10.376 71 HA LYS 63 HA LYS 63 0.993 -14.337 -9.194 72 1HB LYS 63 2HB LYS 63 3.628 -14.701 -10.622 73 2HB LYS 63 3HB LYS 63 3.050 -15.873 -9.455 74 1HG LYS 63 2HG LYS 63 0.815 -15.842 -10.817 75 2HG LYS 63 3HG LYS 63 1.739 -15.036 -12.068 76 1HD LYS 63 2HD LYS 63 1.986 -17.285 -12.689 77 2HD LYS 63 3HD LYS 63 3.449 -17.020 -11.762 78 1HE LYS 63 2HE LYS 63 2.768 -18.385 -10.030 79 2HE LYS 63 3HE LYS 63 1.097 -17.869 -10.136 80 1HZ LYS 63 1HZ LYS 63 2.148 -19.442 -12.328 81 2HZ LYS 63 2HZ LYS 63 1.848 -20.216 -10.922 82 3HZ LYS 63 3HZ LYS 63 0.645 -19.423 -11.691 83 H GLY 64 HN GLY 64 2.453 -11.615 -8.449 84 1HA GLY 64 1HA GLY 64 2.730 -12.072 -5.748 85 2HA GLY 64 2HA GLY 64 4.323 -12.347 -6.423 86 H TYR 65 HN TYR 65 4.085 -10.265 -4.660 87 HA TYR 65 HA TYR 65 3.705 -7.852 -6.262 88 1HB TYR 65 2HB TYR 65 4.149 -8.555 -3.298 89 2HB TYR 65 3HB TYR 65 4.085 -6.892 -3.849 90 HD1 TYR 65 HD1 TYR 65 2.127 -9.951 -3.258 91 HD2 TYR 65 HD2 TYR 65 1.976 -5.873 -4.545 92 HE1 TYR 65 HE1 TYR 65 -0.405 -9.964 -3.027 93 HE2 TYR 65 HE2 TYR 65 -0.556 -5.901 -4.310 94 HH TYR 65 HH TYR 65 -2.180 -8.135 -2.588 95 H HIS 66 HN HIS 66 5.438 -7.000 -7.290 96 HA HIS 66 HA HIS 66 7.781 -6.377 -5.962 97 1HB HIS 66 2HB HIS 66 9.386 -7.916 -7.004 98 2HB HIS 66 3HB HIS 66 8.288 -8.734 -5.911 99 HD1 HIS 66 HD1 HIS 66 7.579 -10.938 -6.819 100 HD2 HIS 66 HD2 HIS 66 8.122 -8.099 -9.859 101 HE1 HIS 66 HE1 HIS 66 7.050 -12.129 -9.013 102 H TRP 67 HN TRP 67 9.369 -5.326 -7.446 103 HA TRP 67 HA TRP 67 7.958 -4.003 -9.546 104 1HB TRP 67 2HB TRP 67 10.726 -3.821 -8.389 105 2HB TRP 67 3HB TRP 67 10.317 -2.987 -9.875 106 HD1 TRP 67 HD1 TRP 67 9.337 -2.984 -6.123 107 HE1 TRP 67 HE1 TRP 67 8.262 -0.675 -5.432 108 HE3 TRP 67 HE3 TRP 67 9.168 -1.057 -10.825 109 HZ2 TRP 67 HZ2 TRP 67 7.479 1.645 -6.896 110 HZ3 TRP 67 HZ3 TRP 67 8.233 1.237 -11.107 111 HH2 TRP 67 HH2 TRP 67 7.406 2.577 -9.238 112 H LYS 68 HN LYS 68 8.485 -4.093 -11.824 113 HA LYS 68 HA LYS 68 8.856 -6.619 -12.836 114 1HB LYS 68 2HB LYS 68 9.347 -3.932 -14.153 115 2HB LYS 68 3HB LYS 68 9.216 -5.456 -15.006 116 1HG LYS 68 2HG LYS 68 6.927 -5.634 -14.644 117 2HG LYS 68 3HG LYS 68 6.995 -4.823 -13.092 118 1HD LYS 68 2HD LYS 68 7.747 -3.090 -15.389 119 2HD LYS 68 3HD LYS 68 6.096 -3.673 -15.453 120 1HE LYS 68 2HE LYS 68 5.863 -1.704 -14.185 121 2HE LYS 68 3HE LYS 68 5.964 -2.926 -12.933 122 1HZ LYS 68 1HZ LYS 68 7.501 -1.394 -12.276 123 2HZ LYS 68 2HZ LYS 68 8.463 -2.437 -13.086 124 3HZ LYS 68 3HZ LYS 68 8.005 -1.035 -13.788 125 H SER 69 HN SER 69 11.267 -3.989 -12.281 126 HA SER 69 HA SER 69 13.385 -5.290 -13.467 127 1HB SER 69 2HB SER 69 13.446 -2.912 -12.858 128 2HB SER 69 3HB SER 69 13.324 -3.304 -11.154 129 HG SER 69 HG SER 69 15.410 -4.094 -11.130 130 H GLU 70 HN GLU 70 11.794 -5.715 -10.330 131 HA GLU 70 HA GLU 70 13.982 -7.360 -9.402 132 1HB GLU 70 2HB GLU 70 11.450 -6.311 -8.084 133 2HB GLU 70 3HB GLU 70 12.474 -7.500 -7.304 134 1HG GLU 70 2HG GLU 70 14.055 -5.261 -8.373 135 2HG GLU 70 3HG GLU 70 12.817 -4.697 -7.267 136 H CYS 71 HN CYS 71 11.116 -7.636 -11.228 137 HA CYS 71 HA CYS 71 9.913 -9.905 -10.309 138 1HB CYS 71 2HB CYS 71 8.974 -8.579 -12.112 139 2HB CYS 71 3HB CYS 71 10.312 -8.980 -13.171 140 H LYS 72 HN LYS 72 10.668 -11.973 -9.997 141 HA LYS 72 HA LYS 72 13.008 -12.770 -11.587 142 1HB LYS 72 2HB LYS 72 12.721 -12.570 -8.766 143 2HB LYS 72 3HB LYS 72 12.769 -14.279 -9.149 144 1HG LYS 72 2HG LYS 72 14.773 -13.423 -10.785 145 2HG LYS 72 3HG LYS 72 14.875 -12.179 -9.555 146 1HD LYS 72 2HD LYS 72 15.740 -13.616 -8.003 147 2HD LYS 72 3HD LYS 72 14.579 -14.871 -8.385 148 1HE LYS 72 2HE LYS 72 16.295 -15.995 -9.368 149 2HE LYS 72 3HE LYS 72 16.198 -14.824 -10.668 150 1HZ LYS 72 1HZ LYS 72 18.392 -14.863 -9.826 151 2HZ LYS 72 2HZ LYS 72 17.738 -13.436 -9.374 152 3HZ LYS 72 3HZ LYS 72 17.903 -14.641 -8.284 153 H SER 73 HN SER 73 9.832 -13.000 -11.714 154 HA SER 73 HA SER 73 9.277 -15.699 -11.419 155 1HB SER 73 2HB SER 73 7.999 -13.332 -12.690 156 2HB SER 73 3HB SER 73 7.517 -14.870 -13.377 157 HG SER 73 HG SER 73 6.827 -15.587 -11.310 158 H LYS 74 HN LYS 74 8.506 -17.089 -13.441 159 HA LYS 74 HA LYS 74 10.715 -16.988 -15.362 160 1HB LYS 74 2HB LYS 74 9.438 -19.115 -13.862 161 2HB LYS 74 3HB LYS 74 9.355 -19.444 -15.580 162 1HG LYS 74 2HG LYS 74 11.783 -19.151 -15.817 163 2HG LYS 74 3HG LYS 74 11.924 -18.610 -14.156 164 1HD LYS 74 2HD LYS 74 12.201 -20.758 -13.495 165 2HD LYS 74 3HD LYS 74 10.575 -21.122 -14.038 166 1HE LYS 74 2HE LYS 74 11.302 -22.141 -15.969 167 2HE LYS 74 3HE LYS 74 12.562 -20.955 -16.245 168 1HZ LYS 74 1HZ LYS 74 13.676 -22.070 -14.266 169 2HZ LYS 74 2HZ LYS 74 12.649 -23.312 -14.528 170 3HZ LYS 74 3HZ LYS 74 13.695 -22.857 -15.697 171 H PHE 75 HN PHE 75 7.141 -17.307 -15.016 172 HA PHE 75 HA PHE 75 6.965 -16.497 -17.832 173 1HB PHE 75 2HB PHE 75 5.511 -18.578 -16.133 174 2HB PHE 75 3HB PHE 75 4.666 -17.859 -17.490 175 HD1 PHE 75 HD1 PHE 75 7.377 -20.092 -16.490 176 HD2 PHE 75 HD2 PHE 75 5.358 -18.328 -19.779 177 HE1 PHE 75 HE1 PHE 75 8.451 -21.750 -18.038 178 HE2 PHE 75 HE2 PHE 75 6.431 -19.986 -21.327 179 HZ PHE 75 HZ PHE 75 7.965 -21.677 -20.438 180 H ASP 76 HN ASP 76 5.251 -15.045 -18.374 181 HA ASP 76 HA ASP 76 3.820 -14.008 -16.063 182 1HB ASP 76 2HB ASP 76 4.293 -11.755 -16.641 183 2HB ASP 76 3HB ASP 76 5.832 -12.571 -16.831 184 H LYS 77 HN LYS 77 2.168 -12.154 -17.250 185 HA LYS 77 HA LYS 77 0.158 -13.464 -18.392 186 1HB LYS 77 2HB LYS 77 0.772 -10.819 -17.908 187 2HB LYS 77 3HB LYS 77 0.568 -10.836 -19.648 188 1HG LYS 77 2HG LYS 77 -1.639 -10.497 -18.927 189 2HG LYS 77 3HG LYS 77 -1.611 -12.236 -19.147 190 1HD LYS 77 2HD LYS 77 -1.060 -12.490 -16.685 191 2HD LYS 77 3HD LYS 77 -1.228 -10.756 -16.502 192 1HE LYS 77 2HE LYS 77 -3.474 -12.413 -17.710 193 2HE LYS 77 3HE LYS 77 -3.299 -12.274 -15.972 194 1HZ LYS 77 1HZ LYS 77 -4.736 -10.579 -16.811 195 2HZ LYS 77 2HZ LYS 77 -3.381 -9.873 -16.234 196 3HZ LYS 77 3HZ LYS 77 -3.597 -10.030 -17.845 197 H ASP 78 HN ASP 78 -0.636 -13.910 -20.535 198 HA ASP 78 HA ASP 78 -0.477 -14.630 -22.573 199 1HB ASP 78 2HB ASP 78 0.155 -12.485 -23.383 200 2HB ASP 78 3HB ASP 78 1.727 -12.552 -22.612 201 H GLY 79 HN GLY 79 1.436 -15.534 -20.187 202 1HA GLY 79 1HA GLY 79 2.954 -17.149 -19.821 203 2HA GLY 79 2HA GLY 79 2.508 -17.807 -21.383 204 H ASN 80 HN ASN 80 4.003 -14.598 -20.616 205 HA ASN 80 HA ASN 80 5.970 -15.126 -22.618 206 1HB ASN 80 2HB ASN 80 5.167 -12.761 -20.904 207 2HB ASN 80 3HB ASN 80 6.762 -12.744 -21.631 208 1HD2 ASN 80 1HD2 ASN 80 3.517 -12.075 -22.046 209 2HD2 ASN 80 2HD2 ASN 80 3.460 -11.846 -23.762 210 HA PRO 81 HA PRO 81 8.984 -16.348 -19.664 211 1HB PRO 81 2HB PRO 81 11.254 -16.136 -21.171 212 2HB PRO 81 3HB PRO 81 10.177 -17.516 -21.250 213 1HG PRO 81 2HG PRO 81 10.500 -15.305 -23.185 214 2HG PRO 81 3HG PRO 81 9.767 -16.878 -23.428 215 1HD PRO 81 2HD PRO 81 8.397 -14.383 -23.071 216 2HD PRO 81 3HD PRO 81 7.667 -15.971 -23.198 217 H LEU 82 HN LEU 82 9.027 -15.018 -17.931 218 HA LEU 82 HA LEU 82 9.492 -12.392 -17.908 219 1HB LEU 82 2HB LEU 82 9.998 -14.607 -16.020 220 2HB LEU 82 3HB LEU 82 10.847 -13.113 -15.674 221 HG LEU 82 HG LEU 82 8.890 -12.938 -14.433 222 1HD1 LEU 82 1HD1 LEU 82 7.962 -11.550 -16.943 223 2HD1 LEU 82 2HD1 LEU 82 7.793 -11.042 -15.245 224 3HD1 LEU 82 3HD1 LEU 82 9.387 -10.990 -16.035 225 1HD2 LEU 82 1HD2 LEU 82 7.311 -13.945 -16.817 226 2HD2 LEU 82 2HD2 LEU 82 7.736 -14.881 -15.364 227 3HD2 LEU 82 3HD2 LEU 82 6.644 -13.482 -15.233 228 HA PRO 83 HA PRO 83 13.524 -12.340 -19.725 229 1HB PRO 83 2HB PRO 83 13.342 -9.830 -20.790 230 2HB PRO 83 3HB PRO 83 12.844 -11.273 -21.649 231 1HG PRO 83 2HG PRO 83 11.164 -9.209 -20.362 232 2HG PRO 83 3HG PRO 83 10.710 -10.401 -21.564 233 1HD PRO 83 2HD PRO 83 10.138 -10.493 -18.755 234 2HD PRO 83 3HD PRO 83 9.787 -11.738 -19.938 235 HA PRO 84 HA PRO 84 15.801 -10.099 -16.928 236 1HB PRO 84 2HB PRO 84 17.941 -9.121 -18.318 237 2HB PRO 84 3HB PRO 84 17.834 -10.781 -17.768 238 1HG PRO 84 2HG PRO 84 17.491 -9.707 -20.501 239 2HG PRO 84 3HG PRO 84 17.808 -11.357 -20.001 240 1HD PRO 84 2HD PRO 84 15.295 -10.279 -20.868 241 2HD PRO 84 3HD PRO 84 15.588 -11.896 -20.259 Start of MODEL 7 1 HA PRO 54 HA PRO 54 1.690 0.628 -1.902 2 1HB PRO 54 2HB PRO 54 4.263 -0.141 -1.396 3 2HB PRO 54 3HB PRO 54 3.677 1.486 -1.116 4 1HG PRO 54 2HG PRO 54 4.253 -0.640 0.854 5 2HG PRO 54 3HG PRO 54 4.083 1.084 1.118 6 1HD PRO 54 2HD PRO 54 2.147 -0.944 1.722 7 2HD PRO 54 3HD PRO 54 1.934 0.789 1.877 8 HA PRO 55 HA PRO 55 1.508 -3.216 -3.687 9 1HB PRO 55 2HB PRO 55 2.634 -2.770 -6.136 10 2HB PRO 55 3HB PRO 55 0.975 -2.355 -5.755 11 1HG PRO 55 2HG PRO 55 3.315 -0.569 -6.033 12 2HG PRO 55 3HG PRO 55 1.611 -0.161 -6.077 13 1HD PRO 55 2HD PRO 55 3.421 0.263 -3.893 14 2HD PRO 55 3HD PRO 55 1.695 0.564 -3.897 15 H GLY 56 HN GLY 56 2.687 -5.105 -4.568 16 1HA GLY 56 1HA GLY 56 5.470 -5.139 -4.683 17 2HA GLY 56 2HA GLY 56 5.023 -5.494 -3.026 18 H LEU 57 HN LEU 57 6.181 -7.605 -3.816 19 HA LEU 57 HA LEU 57 4.839 -9.300 -5.599 20 1HB LEU 57 2HB LEU 57 7.242 -9.378 -4.798 21 2HB LEU 57 3HB LEU 57 6.644 -10.122 -3.328 22 HG LEU 57 HG LEU 57 6.093 -12.108 -4.373 23 1HD1 LEU 57 1HD1 LEU 57 4.609 -11.325 -6.067 24 2HD1 LEU 57 2HD1 LEU 57 5.942 -10.576 -6.979 25 3HD1 LEU 57 3HD1 LEU 57 5.832 -12.348 -6.856 26 1HD2 LEU 57 1HD2 LEU 57 8.148 -12.764 -4.900 27 2HD2 LEU 57 2HD2 LEU 57 8.138 -11.811 -6.403 28 3HD2 LEU 57 3HD2 LEU 57 8.634 -11.052 -4.871 29 H CYS 58 HN CYS 58 2.754 -9.920 -5.357 30 HA CYS 58 HA CYS 58 1.236 -9.810 -3.162 31 1HB CYS 58 2HB CYS 58 0.379 -10.364 -5.393 32 2HB CYS 58 3HB CYS 58 1.109 -11.954 -5.308 33 HA PRO 59 HA PRO 59 3.445 -12.814 -0.729 34 1HB PRO 59 2HB PRO 59 2.655 -11.882 1.716 35 2HB PRO 59 3HB PRO 59 4.082 -11.298 0.883 36 1HG PRO 59 2HG PRO 59 1.459 -9.977 1.215 37 2HG PRO 59 3HG PRO 59 2.998 -9.265 0.774 38 1HD PRO 59 2HD PRO 59 0.810 -9.847 -0.987 39 2HD PRO 59 3HD PRO 59 2.391 -9.244 -1.443 40 H ARG 60 HN ARG 60 0.337 -12.495 -1.548 41 HA ARG 60 HA ARG 60 -0.647 -14.353 0.391 42 1HB ARG 60 2HB ARG 60 -1.774 -12.469 -1.526 43 2HB ARG 60 3HB ARG 60 -2.511 -14.040 -1.768 44 1HG ARG 60 2HG ARG 60 -2.260 -13.375 1.094 45 2HG ARG 60 3HG ARG 60 -3.188 -12.170 0.224 46 1HD ARG 60 2HD ARG 60 -4.967 -13.576 -0.018 47 2HD ARG 60 3HD ARG 60 -3.955 -14.875 -0.618 48 HE ARG 60 HE ARG 60 -3.634 -14.483 2.253 49 1HH1 ARG 60 1HH1 ARG 60 -5.577 -17.260 3.085 50 2HH1 ARG 60 2HH1 ARG 60 -4.442 -16.087 3.665 51 1HH2 ARG 60 1HH2 ARG 60 -6.275 -17.202 0.872 52 2HH2 ARG 60 2HH2 ARG 60 -5.662 -15.986 -0.198 53 H CYS 61 HN CYS 61 -0.628 -14.239 -3.257 54 HA CYS 61 HA CYS 61 -0.748 -17.120 -3.305 55 1HB CYS 61 2HB CYS 61 -1.115 -16.897 -5.681 56 2HB CYS 61 3HB CYS 61 -2.161 -15.774 -4.835 57 H LYS 62 HN LYS 62 1.467 -14.378 -3.985 58 HA LYS 62 HA LYS 62 3.649 -14.280 -4.301 59 1HB LYS 62 2HB LYS 62 3.312 -16.370 -2.478 60 2HB LYS 62 3HB LYS 62 4.408 -17.026 -3.678 61 1HG LYS 62 2HG LYS 62 6.066 -15.888 -2.620 62 2HG LYS 62 3HG LYS 62 5.384 -14.428 -3.310 63 1HD LYS 62 2HD LYS 62 5.171 -13.762 -1.130 64 2HD LYS 62 3HD LYS 62 3.724 -14.750 -1.147 65 1HE LYS 62 2HE LYS 62 4.702 -15.823 0.626 66 2HE LYS 62 3HE LYS 62 5.611 -16.675 -0.607 67 1HZ LYS 62 1HZ LYS 62 6.759 -14.162 0.010 68 2HZ LYS 62 2HZ LYS 62 6.650 -15.112 1.334 69 3HZ LYS 62 3HZ LYS 62 7.447 -15.643 0.011 70 H LYS 63 HN LYS 63 2.102 -14.600 -6.546 71 HA LYS 63 HA LYS 63 3.925 -16.145 -8.219 72 1HB LYS 63 2HB LYS 63 0.996 -16.625 -7.884 73 2HB LYS 63 3HB LYS 63 1.653 -16.728 -9.505 74 1HG LYS 63 2HG LYS 63 3.118 -18.509 -8.946 75 2HG LYS 63 3HG LYS 63 3.078 -18.140 -7.234 76 1HD LYS 63 2HD LYS 63 0.375 -18.675 -7.952 77 2HD LYS 63 3HD LYS 63 1.324 -19.895 -8.777 78 1HE LYS 63 2HE LYS 63 2.476 -19.746 -6.198 79 2HE LYS 63 3HE LYS 63 0.753 -19.615 -5.909 80 1HZ LYS 63 1HZ LYS 63 2.232 -21.801 -7.111 81 2HZ LYS 63 2HZ LYS 63 1.026 -21.846 -6.011 82 3HZ LYS 63 3HZ LYS 63 0.686 -21.570 -7.584 83 H GLY 64 HN GLY 64 3.095 -13.219 -7.386 84 1HA GLY 64 1HA GLY 64 3.779 -11.947 -9.730 85 2HA GLY 64 2HA GLY 64 2.030 -12.058 -9.764 86 H TYR 65 HN TYR 65 3.554 -9.591 -9.569 87 HA TYR 65 HA TYR 65 3.355 -8.773 -6.799 88 1HB TYR 65 2HB TYR 65 4.116 -7.531 -9.508 89 2HB TYR 65 3HB TYR 65 4.083 -6.563 -8.047 90 HD1 TYR 65 HD1 TYR 65 5.686 -9.567 -9.574 91 HD2 TYR 65 HD2 TYR 65 5.939 -6.515 -6.587 92 HE1 TYR 65 HE1 TYR 65 8.070 -10.273 -9.045 93 HE2 TYR 65 HE2 TYR 65 8.323 -7.232 -6.067 94 HH TYR 65 HH TYR 65 9.757 -10.035 -7.696 95 H HIS 66 HN HIS 66 1.565 -7.891 -5.898 96 HA HIS 66 HA HIS 66 0.030 -5.952 -7.074 97 1HB HIS 66 2HB HIS 66 -2.089 -7.246 -7.521 98 2HB HIS 66 3HB HIS 66 -0.813 -7.418 -8.710 99 HD1 HIS 66 HD1 HIS 66 -0.150 -9.767 -9.309 100 HD2 HIS 66 HD2 HIS 66 -2.197 -9.569 -5.653 101 HE1 HIS 66 HE1 HIS 66 -0.526 -12.180 -8.569 102 H TRP 67 HN TRP 67 -2.184 -5.728 -5.801 103 HA TRP 67 HA TRP 67 -1.475 -6.020 -3.039 104 1HB TRP 67 2HB TRP 67 -3.751 -4.747 -4.535 105 2HB TRP 67 3HB TRP 67 -3.818 -4.952 -2.796 106 HD1 TRP 67 HD1 TRP 67 -1.685 -3.096 -5.459 107 HE1 TRP 67 HE1 TRP 67 -0.471 -1.006 -4.399 108 HE3 TRP 67 HE3 TRP 67 -3.089 -4.051 -0.666 109 HZ2 TRP 67 HZ2 TRP 67 -0.240 -0.010 -1.734 110 HZ3 TRP 67 HZ3 TRP 67 -2.327 -2.471 1.104 111 HH2 TRP 67 HH2 TRP 67 -0.950 -0.507 0.634 112 H LYS 68 HN LYS 68 -2.720 -7.236 -1.461 113 HA LYS 68 HA LYS 68 -3.361 -9.797 -2.232 114 1HB LYS 68 2HB LYS 68 -4.318 -10.028 0.012 115 2HB LYS 68 3HB LYS 68 -2.780 -9.188 0.047 116 1HG LYS 68 2HG LYS 68 -4.027 -6.987 0.086 117 2HG LYS 68 3HG LYS 68 -5.537 -7.874 0.159 118 1HD LYS 68 2HD LYS 68 -4.406 -9.080 2.243 119 2HD LYS 68 3HD LYS 68 -3.357 -7.676 2.253 120 1HE LYS 68 2HE LYS 68 -4.974 -6.588 3.420 121 2HE LYS 68 3HE LYS 68 -5.927 -6.569 1.950 122 1HZ LYS 68 1HZ LYS 68 -7.097 -7.589 3.781 123 2HZ LYS 68 2HZ LYS 68 -6.867 -8.673 2.582 124 3HZ LYS 68 3HZ LYS 68 -5.949 -8.740 3.930 125 H SER 69 HN SER 69 -5.561 -6.980 -1.627 126 HA SER 69 HA SER 69 -7.855 -8.445 -2.268 127 1HB SER 69 2HB SER 69 -7.753 -6.302 -0.917 128 2HB SER 69 3HB SER 69 -7.446 -5.425 -2.403 129 HG SER 69 HG SER 69 -9.592 -6.902 -2.942 130 H GLU 70 HN GLU 70 -5.305 -7.046 -4.166 131 HA GLU 70 HA GLU 70 -7.000 -6.798 -6.490 132 1HB GLU 70 2HB GLU 70 -4.084 -6.122 -5.947 133 2HB GLU 70 3HB GLU 70 -4.773 -6.036 -7.556 134 1HG GLU 70 2HG GLU 70 -6.134 -4.627 -5.236 135 2HG GLU 70 3HG GLU 70 -4.770 -3.879 -6.042 136 H CYS 71 HN CYS 71 -5.389 -9.248 -4.858 137 HA CYS 71 HA CYS 71 -3.957 -10.580 -6.779 138 1HB CYS 71 2HB CYS 71 -3.951 -11.224 -4.423 139 2HB CYS 71 3HB CYS 71 -5.627 -11.725 -4.518 140 H LYS 72 HN LYS 72 -4.601 -11.284 -8.784 141 HA LYS 72 HA LYS 72 -7.447 -11.913 -9.115 142 1HB LYS 72 2HB LYS 72 -5.407 -10.598 -10.835 143 2HB LYS 72 3HB LYS 72 -6.534 -11.666 -11.646 144 1HG LYS 72 2HG LYS 72 -8.450 -10.427 -10.820 145 2HG LYS 72 3HG LYS 72 -7.463 -9.520 -9.691 146 1HD LYS 72 2HD LYS 72 -6.293 -9.095 -12.260 147 2HD LYS 72 3HD LYS 72 -8.024 -8.955 -12.496 148 1HE LYS 72 2HE LYS 72 -6.478 -7.480 -10.310 149 2HE LYS 72 3HE LYS 72 -6.887 -6.777 -11.862 150 1HZ LYS 72 1HZ LYS 72 -9.193 -7.093 -11.363 151 2HZ LYS 72 2HZ LYS 72 -8.851 -7.840 -9.952 152 3HZ LYS 72 3HZ LYS 72 -8.497 -6.257 -10.145 153 H SER 73 HN SER 73 -4.832 -13.494 -8.171 154 HA SER 73 HA SER 73 -4.591 -15.477 -10.160 155 1HB SER 73 2HB SER 73 -3.356 -14.801 -7.623 156 2HB SER 73 3HB SER 73 -3.753 -16.508 -7.625 157 HG SER 73 HG SER 73 -1.636 -16.109 -8.524 158 H LYS 74 HN LYS 74 -5.279 -17.756 -9.969 159 HA LYS 74 HA LYS 74 -7.940 -17.945 -8.970 160 1HB LYS 74 2HB LYS 74 -7.917 -20.155 -9.959 161 2HB LYS 74 3HB LYS 74 -7.228 -18.995 -11.076 162 1HG LYS 74 2HG LYS 74 -4.916 -19.689 -10.024 163 2HG LYS 74 3HG LYS 74 -5.784 -21.081 -9.407 164 1HD LYS 74 2HD LYS 74 -6.326 -21.868 -11.609 165 2HD LYS 74 3HD LYS 74 -5.945 -20.325 -12.348 166 1HE LYS 74 2HE LYS 74 -3.548 -21.039 -11.059 167 2HE LYS 74 3HE LYS 74 -4.151 -22.566 -11.671 168 1HZ LYS 74 1HZ LYS 74 -4.473 -20.564 -13.605 169 2HZ LYS 74 2HZ LYS 74 -2.919 -20.588 -13.103 170 3HZ LYS 74 3HZ LYS 74 -3.606 -21.945 -13.696 171 H PHE 75 HN PHE 75 -4.710 -19.264 -8.042 172 HA PHE 75 HA PHE 75 -5.930 -19.974 -5.469 173 1HB PHE 75 2HB PHE 75 -3.806 -21.338 -7.220 174 2HB PHE 75 3HB PHE 75 -4.029 -21.778 -5.539 175 HD1 PHE 75 HD1 PHE 75 -6.722 -22.130 -5.011 176 HD2 PHE 75 HD2 PHE 75 -4.752 -22.806 -8.708 177 HE1 PHE 75 HE1 PHE 75 -8.522 -23.749 -5.674 178 HE2 PHE 75 HE2 PHE 75 -6.551 -24.425 -9.371 179 HZ PHE 75 HZ PHE 75 -8.415 -24.878 -7.846 180 H ASP 76 HN ASP 76 -4.184 -20.173 -3.685 181 HA ASP 76 HA ASP 76 -2.016 -18.318 -4.211 182 1HB ASP 76 2HB ASP 76 -2.478 -16.990 -2.297 183 2HB ASP 76 3HB ASP 76 -4.045 -17.212 -3.049 184 H LYS 77 HN LYS 77 -0.751 -18.299 -1.758 185 HA LYS 77 HA LYS 77 0.640 -20.554 -1.549 186 1HB LYS 77 2HB LYS 77 1.279 -19.876 0.655 187 2HB LYS 77 3HB LYS 77 1.035 -18.433 -0.308 188 1HG LYS 77 2HG LYS 77 -1.170 -18.054 0.686 189 2HG LYS 77 3HG LYS 77 -1.124 -19.604 1.504 190 1HD LYS 77 2HD LYS 77 1.124 -18.638 2.571 191 2HD LYS 77 3HD LYS 77 0.439 -17.088 2.122 192 1HE LYS 77 2HE LYS 77 -1.230 -19.116 3.651 193 2HE LYS 77 3HE LYS 77 -0.102 -18.079 4.501 194 1HZ LYS 77 1HZ LYS 77 -1.231 -16.188 3.738 195 2HZ LYS 77 2HZ LYS 77 -2.125 -17.024 2.658 196 3HZ LYS 77 3HZ LYS 77 -2.396 -17.208 4.258 197 H ASP 78 HN ASP 78 0.613 -22.498 -0.255 198 HA ASP 78 HA ASP 78 -0.294 -24.285 0.570 199 1HB ASP 78 2HB ASP 78 -1.039 -23.117 2.508 200 2HB ASP 78 3HB ASP 78 -2.254 -22.222 1.616 201 H GLY 79 HN GLY 79 -1.308 -22.794 -2.066 202 1HA GLY 79 1HA GLY 79 -2.694 -23.244 -3.775 203 2HA GLY 79 2HA GLY 79 -2.859 -24.857 -3.108 204 H ASN 80 HN ASN 80 -3.803 -21.683 -1.638 205 HA ASN 80 HA ASN 80 -6.363 -22.796 -1.054 206 1HB ASN 80 2HB ASN 80 -4.881 -20.239 -0.401 207 2HB ASN 80 3HB ASN 80 -6.625 -20.234 -0.232 208 1HD2 ASN 80 1HD2 ASN 80 -3.690 -20.987 1.191 209 2HD2 ASN 80 2HD2 ASN 80 -4.229 -21.929 2.540 210 HA PRO 81 HA PRO 81 -8.302 -20.902 -4.507 211 1HB PRO 81 2HB PRO 81 -10.917 -20.948 -3.714 212 2HB PRO 81 3HB PRO 81 -10.096 -22.341 -4.391 213 1HG PRO 81 2HG PRO 81 -10.827 -21.805 -1.576 214 2HG PRO 81 3HG PRO 81 -10.405 -23.330 -2.330 215 1HD PRO 81 2HD PRO 81 -8.728 -21.729 -0.641 216 2HD PRO 81 3HD PRO 81 -8.270 -23.193 -1.488 217 H LEU 82 HN LEU 82 -7.597 -18.866 -4.859 218 HA LEU 82 HA LEU 82 -7.728 -16.793 -3.182 219 1HB LEU 82 2HB LEU 82 -7.519 -17.179 -6.031 220 2HB LEU 82 3HB LEU 82 -8.421 -15.716 -5.688 221 HG LEU 82 HG LEU 82 -6.257 -14.935 -5.831 222 1HD1 LEU 82 1HD1 LEU 82 -6.151 -15.545 -2.893 223 2HD1 LEU 82 2HD1 LEU 82 -5.742 -14.046 -3.762 224 3HD1 LEU 82 3HD1 LEU 82 -7.446 -14.515 -3.549 225 1HD2 LEU 82 1HD2 LEU 82 -5.009 -16.910 -6.125 226 2HD2 LEU 82 2HD2 LEU 82 -4.304 -16.112 -4.698 227 3HD2 LEU 82 3HD2 LEU 82 -5.398 -17.501 -4.491 228 HA PRO 83 HA PRO 83 -12.107 -16.584 -2.611 229 1HB PRO 83 2HB PRO 83 -12.033 -15.448 -0.126 230 2HB PRO 83 3HB PRO 83 -12.029 -17.180 -0.388 231 1HG PRO 83 2HG PRO 83 -9.788 -15.418 0.396 232 2HG PRO 83 3HG PRO 83 -9.918 -17.160 0.541 233 1HD PRO 83 2HD PRO 83 -8.414 -15.708 -1.424 234 2HD PRO 83 3HD PRO 83 -8.638 -17.444 -1.348 235 HA PRO 84 HA PRO 84 -12.213 -12.533 -4.078 236 1HB PRO 84 2HB PRO 84 -14.608 -12.692 -5.384 237 2HB PRO 84 3HB PRO 84 -13.082 -13.128 -6.126 238 1HG PRO 84 2HG PRO 84 -15.228 -14.898 -5.124 239 2HG PRO 84 3HG PRO 84 -13.920 -15.275 -6.228 240 1HD PRO 84 2HD PRO 84 -14.083 -15.986 -3.455 241 2HD PRO 84 3HD PRO 84 -12.727 -16.261 -4.529 Start of MODEL 8 1 HA PRO 54 HA PRO 54 1.690 0.628 -1.902 2 1HB PRO 54 2HB PRO 54 4.263 -0.141 -1.396 3 2HB PRO 54 3HB PRO 54 3.677 1.486 -1.116 4 1HG PRO 54 2HG PRO 54 4.253 -0.640 0.854 5 2HG PRO 54 3HG PRO 54 4.083 1.084 1.118 6 1HD PRO 54 2HD PRO 54 2.147 -0.944 1.722 7 2HD PRO 54 3HD PRO 54 1.934 0.789 1.877 8 HA PRO 55 HA PRO 55 1.773 -3.172 -3.794 9 1HB PRO 55 2HB PRO 55 3.564 -2.933 -5.844 10 2HB PRO 55 3HB PRO 55 1.932 -2.300 -5.919 11 1HG PRO 55 2HG PRO 55 4.471 -0.836 -5.537 12 2HG PRO 55 3HG PRO 55 2.910 -0.214 -6.034 13 1HD PRO 55 2HD PRO 55 4.107 0.028 -3.439 14 2HD PRO 55 3HD PRO 55 2.499 0.547 -3.904 15 H GLY 56 HN GLY 56 5.051 -2.038 -3.221 16 1HA GLY 56 1HA GLY 56 6.540 -3.185 -1.841 17 2HA GLY 56 2HA GLY 56 5.644 -4.672 -2.078 18 H LEU 57 HN LEU 57 7.922 -2.355 -3.595 19 HA LEU 57 HA LEU 57 8.283 -3.872 -5.955 20 1HB LEU 57 2HB LEU 57 8.714 -1.410 -5.588 21 2HB LEU 57 3HB LEU 57 10.174 -1.865 -4.733 22 HG LEU 57 HG LEU 57 11.260 -2.574 -6.646 23 1HD1 LEU 57 1HD1 LEU 57 9.849 -4.209 -7.539 24 2HD1 LEU 57 2HD1 LEU 57 8.521 -3.055 -7.809 25 3HD1 LEU 57 3HD1 LEU 57 9.976 -2.992 -8.832 26 1HD2 LEU 57 1HD2 LEU 57 10.322 -0.862 -8.522 27 2HD2 LEU 57 2HD2 LEU 57 9.583 -0.173 -7.057 28 3HD2 LEU 57 3HD2 LEU 57 11.348 -0.381 -7.149 29 H CYS 58 HN CYS 58 9.008 -5.936 -5.922 30 HA CYS 58 HA CYS 58 10.280 -7.177 -3.890 31 1HB CYS 58 2HB CYS 58 9.336 -8.317 -5.865 32 2HB CYS 58 3HB CYS 58 10.659 -7.729 -6.852 33 HA PRO 59 HA PRO 59 14.103 -4.929 -4.150 34 1HB PRO 59 2HB PRO 59 14.964 -5.473 -1.614 35 2HB PRO 59 3HB PRO 59 13.945 -4.102 -2.007 36 1HG PRO 59 2HG PRO 59 13.209 -6.638 -0.677 37 2HG PRO 59 3HG PRO 59 12.339 -5.117 -0.699 38 1HD PRO 59 2HD PRO 59 11.724 -7.467 -2.223 39 2HD PRO 59 3HD PRO 59 10.926 -5.911 -2.329 40 H ARG 60 HN ARG 60 13.418 -8.084 -4.293 41 HA ARG 60 HA ARG 60 16.139 -8.931 -3.949 42 1HB ARG 60 2HB ARG 60 13.721 -10.544 -4.905 43 2HB ARG 60 3HB ARG 60 15.248 -11.202 -4.352 44 1HG ARG 60 2HG ARG 60 13.311 -9.561 -2.651 45 2HG ARG 60 3HG ARG 60 13.503 -11.301 -2.573 46 1HD ARG 60 2HD ARG 60 16.069 -10.712 -2.148 47 2HD ARG 60 3HD ARG 60 15.437 -9.143 -1.688 48 HE ARG 60 HE ARG 60 14.510 -10.095 0.248 49 1HH1 ARG 60 1HH1 ARG 60 14.420 -13.423 1.294 50 2HH1 ARG 60 2HH1 ARG 60 14.146 -11.775 1.753 51 1HH2 ARG 60 1HH2 ARG 60 15.157 -13.924 -0.849 52 2HH2 ARG 60 2HH2 ARG 60 15.432 -12.650 -1.990 53 H CYS 61 HN CYS 61 13.619 -9.411 -6.545 54 HA CYS 61 HA CYS 61 15.696 -9.715 -8.497 55 1HB CYS 61 2HB CYS 61 13.860 -10.144 -10.067 56 2HB CYS 61 3HB CYS 61 13.716 -11.133 -8.628 57 H LYS 62 HN LYS 62 13.293 -7.298 -7.388 58 HA LYS 62 HA LYS 62 12.976 -5.169 -7.874 59 1HB LYS 62 2HB LYS 62 15.620 -5.394 -7.450 60 2HB LYS 62 3HB LYS 62 15.669 -4.819 -9.104 61 1HG LYS 62 2HG LYS 62 14.718 -2.755 -8.574 62 2HG LYS 62 3HG LYS 62 13.792 -3.399 -7.233 63 1HD LYS 62 2HD LYS 62 16.669 -3.673 -6.736 64 2HD LYS 62 3HD LYS 62 16.255 -2.007 -7.085 65 1HE LYS 62 2HE LYS 62 14.293 -3.263 -5.278 66 2HE LYS 62 3HE LYS 62 15.916 -3.329 -4.621 67 1HZ LYS 62 1HZ LYS 62 15.634 -0.819 -5.670 68 2HZ LYS 62 2HZ LYS 62 14.228 -1.108 -4.891 69 3HZ LYS 62 3HZ LYS 62 15.646 -1.225 -4.088 70 H LYS 63 HN LYS 63 12.037 -7.103 -9.743 71 HA LYS 63 HA LYS 63 12.210 -5.489 -12.185 72 1HB LYS 63 2HB LYS 63 12.483 -8.478 -11.889 73 2HB LYS 63 3HB LYS 63 11.895 -7.769 -13.379 74 1HG LYS 63 2HG LYS 63 13.941 -6.795 -13.898 75 2HG LYS 63 3HG LYS 63 14.368 -6.531 -12.219 76 1HD LYS 63 2HD LYS 63 15.736 -8.337 -12.414 77 2HD LYS 63 3HD LYS 63 14.285 -9.318 -12.384 78 1HE LYS 63 2HE LYS 63 14.929 -10.054 -14.444 79 2HE LYS 63 3HE LYS 63 14.356 -8.510 -15.043 80 1HZ LYS 63 1HZ LYS 63 17.081 -9.329 -14.452 81 2HZ LYS 63 2HZ LYS 63 16.499 -8.542 -15.759 82 3HZ LYS 63 3HZ LYS 63 16.701 -7.744 -14.349 83 H GLY 64 HN GLY 64 10.365 -6.041 -9.640 84 1HA GLY 64 1HA GLY 64 7.949 -5.384 -10.852 85 2HA GLY 64 2HA GLY 64 7.962 -7.126 -10.666 86 H TYR 65 HN TYR 65 6.057 -5.694 -9.270 87 HA TYR 65 HA TYR 65 7.119 -5.349 -6.571 88 1HB TYR 65 2HB TYR 65 4.514 -4.759 -8.093 89 2HB TYR 65 3HB TYR 65 4.601 -4.560 -6.354 90 HD1 TYR 65 HD1 TYR 65 5.933 -2.752 -5.355 91 HD2 TYR 65 HD2 TYR 65 5.656 -3.212 -9.599 92 HE1 TYR 65 HE1 TYR 65 6.849 -0.402 -5.677 93 HE2 TYR 65 HE2 TYR 65 6.572 -0.860 -9.907 94 HH TYR 65 HH TYR 65 7.907 0.913 -7.261 95 H HIS 66 HN HIS 66 7.072 -7.052 -5.199 96 HA HIS 66 HA HIS 66 4.766 -8.465 -4.662 97 1HB HIS 66 2HB HIS 66 5.332 -10.699 -5.574 98 2HB HIS 66 3HB HIS 66 4.922 -9.519 -6.803 99 HD1 HIS 66 HD1 HIS 66 6.442 -9.569 -8.774 100 HD2 HIS 66 HD2 HIS 66 8.391 -10.780 -5.263 101 HE1 HIS 66 HE1 HIS 66 8.817 -10.204 -9.458 102 H TRP 67 HN TRP 67 5.232 -10.335 -3.113 103 HA TRP 67 HA TRP 67 7.362 -9.504 -1.390 104 1HB TRP 67 2HB TRP 67 5.269 -11.671 -1.223 105 2HB TRP 67 3HB TRP 67 6.501 -11.439 0.001 106 HD1 TRP 67 HD1 TRP 67 3.324 -9.750 -1.371 107 HE1 TRP 67 HE1 TRP 67 2.425 -7.907 0.289 108 HE3 TRP 67 HE3 TRP 67 7.323 -9.876 1.767 109 HZ2 TRP 67 HZ2 TRP 67 3.463 -6.735 2.675 110 HZ3 TRP 67 HZ3 TRP 67 7.301 -8.351 3.738 111 HH2 TRP 67 HH2 TRP 67 5.458 -6.818 4.215 112 H LYS 68 HN LYS 68 9.145 -10.902 -0.705 113 HA LYS 68 HA LYS 68 10.509 -12.074 -2.781 114 1HB LYS 68 2HB LYS 68 11.956 -13.032 -0.997 115 2HB LYS 68 3HB LYS 68 11.646 -11.318 -0.815 116 1HG LYS 68 2HG LYS 68 9.567 -12.264 0.657 117 2HG LYS 68 3HG LYS 68 10.665 -13.616 0.854 118 1HD LYS 68 2HD LYS 68 12.289 -12.321 1.969 119 2HD LYS 68 3HD LYS 68 11.742 -10.820 1.250 120 1HE LYS 68 2HE LYS 68 10.847 -10.552 3.377 121 2HE LYS 68 3HE LYS 68 9.495 -11.364 2.612 122 1HZ LYS 68 1HZ LYS 68 10.399 -12.270 4.793 123 2HZ LYS 68 2HZ LYS 68 10.042 -13.341 3.613 124 3HZ LYS 68 3HZ LYS 68 11.596 -12.928 3.898 125 H SER 69 HN SER 69 8.506 -13.658 -0.205 126 HA SER 69 HA SER 69 8.918 -16.219 -1.224 127 1HB SER 69 2HB SER 69 6.861 -16.768 0.198 128 2HB SER 69 3HB SER 69 8.205 -16.030 1.045 129 HG SER 69 HG SER 69 6.428 -14.145 -0.005 130 H GLU 70 HN GLU 70 6.947 -13.539 -2.252 131 HA GLU 70 HA GLU 70 5.134 -15.286 -3.671 132 1HB GLU 70 2HB GLU 70 5.209 -12.306 -3.117 133 2HB GLU 70 3HB GLU 70 4.162 -12.946 -4.368 134 1HG GLU 70 2HG GLU 70 3.717 -14.663 -2.175 135 2HG GLU 70 3HG GLU 70 3.866 -13.078 -1.442 136 H CYS 71 HN CYS 71 8.183 -13.873 -4.101 137 HA CYS 71 HA CYS 71 8.089 -12.854 -6.655 138 1HB CYS 71 2HB CYS 71 10.029 -12.617 -5.174 139 2HB CYS 71 3HB CYS 71 10.356 -14.335 -5.282 140 H LYS 72 HN LYS 72 7.419 -13.845 -8.526 141 HA LYS 72 HA LYS 72 7.707 -16.762 -8.653 142 1HB LYS 72 2HB LYS 72 5.475 -15.073 -9.080 143 2HB LYS 72 3HB LYS 72 5.945 -15.667 -10.659 144 1HG LYS 72 2HG LYS 72 6.115 -18.015 -9.467 145 2HG LYS 72 3HG LYS 72 5.155 -17.269 -8.205 146 1HD LYS 72 2HD LYS 72 3.263 -17.076 -9.550 147 2HD LYS 72 3HD LYS 72 4.191 -16.883 -11.024 148 1HE LYS 72 2HE LYS 72 4.846 -19.485 -10.149 149 2HE LYS 72 3HE LYS 72 3.135 -19.342 -9.797 150 1HZ LYS 72 1HZ LYS 72 3.325 -20.067 -11.994 151 2HZ LYS 72 2HZ LYS 72 2.905 -18.494 -12.113 152 3HZ LYS 72 3HZ LYS 72 4.449 -18.949 -12.387 153 H SER 73 HN SER 73 9.554 -14.259 -9.326 154 HA SER 73 HA SER 73 9.875 -14.440 -12.111 155 1HB SER 73 2HB SER 73 11.584 -13.309 -9.865 156 2HB SER 73 3HB SER 73 12.121 -13.266 -11.533 157 HG SER 73 HG SER 73 10.396 -11.586 -10.272 158 H LYS 74 HN LYS 74 12.226 -15.013 -13.009 159 HA LYS 74 HA LYS 74 12.783 -17.700 -12.022 160 1HB LYS 74 2HB LYS 74 12.196 -17.193 -14.455 161 2HB LYS 74 3HB LYS 74 13.768 -16.430 -14.585 162 1HG LYS 74 2HG LYS 74 14.936 -18.469 -14.161 163 2HG LYS 74 3HG LYS 74 13.527 -19.240 -13.460 164 1HD LYS 74 2HD LYS 74 13.722 -20.203 -15.636 165 2HD LYS 74 3HD LYS 74 12.416 -19.044 -15.779 166 1HE LYS 74 2HE LYS 74 13.551 -18.108 -17.510 167 2HE LYS 74 3HE LYS 74 14.716 -17.518 -16.341 168 1HZ LYS 74 1HZ LYS 74 14.885 -19.825 -18.074 169 2HZ LYS 74 2HZ LYS 74 16.046 -18.760 -17.642 170 3HZ LYS 74 3HZ LYS 74 15.602 -19.947 -16.612 171 H PHE 75 HN PHE 75 14.310 -14.509 -12.676 172 HA PHE 75 HA PHE 75 16.550 -15.425 -11.019 173 1HB PHE 75 2HB PHE 75 16.369 -14.091 -13.732 174 2HB PHE 75 3HB PHE 75 17.640 -13.508 -12.676 175 HD1 PHE 75 HD1 PHE 75 16.258 -16.864 -13.593 176 HD2 PHE 75 HD2 PHE 75 19.696 -14.423 -13.117 177 HE1 PHE 75 HE1 PHE 75 17.717 -18.784 -14.287 178 HE2 PHE 75 HE2 PHE 75 21.156 -16.343 -13.811 179 HZ PHE 75 HZ PHE 75 20.149 -18.501 -14.387 180 H ASP 76 HN ASP 76 17.797 -13.533 -10.044 181 HA ASP 76 HA ASP 76 16.035 -11.248 -9.691 182 1HB ASP 76 2HB ASP 76 16.779 -11.219 -7.254 183 2HB ASP 76 3HB ASP 76 15.700 -12.531 -7.685 184 H LYS 77 HN LYS 77 17.595 -9.636 -8.083 185 HA LYS 77 HA LYS 77 19.424 -8.482 -9.630 186 1HB LYS 77 2HB LYS 77 20.308 -7.430 -7.684 187 2HB LYS 77 3HB LYS 77 18.600 -7.702 -7.401 188 1HG LYS 77 2HG LYS 77 19.083 -9.693 -6.038 189 2HG LYS 77 3HG LYS 77 20.788 -9.600 -6.433 190 1HD LYS 77 2HD LYS 77 21.128 -8.204 -4.683 191 2HD LYS 77 3HD LYS 77 20.044 -7.029 -5.400 192 1HE LYS 77 2HE LYS 77 19.021 -7.461 -3.316 193 2HE LYS 77 3HE LYS 77 18.112 -8.493 -4.402 194 1HZ LYS 77 1HZ LYS 77 18.949 -10.306 -3.456 195 2HZ LYS 77 2HZ LYS 77 20.463 -9.710 -3.318 196 3HZ LYS 77 3HZ LYS 77 19.333 -9.336 -2.200 197 H ASP 78 HN ASP 78 21.751 -8.518 -9.884 198 HA ASP 78 HA ASP 78 23.661 -9.478 -10.242 199 1HB ASP 78 2HB ASP 78 24.029 -9.817 -7.914 200 2HB ASP 78 3HB ASP 78 22.782 -11.042 -7.799 201 H GLY 79 HN GLY 79 20.834 -10.698 -11.094 202 1HA GLY 79 1HA GLY 79 20.100 -12.347 -12.430 203 2HA GLY 79 2HA GLY 79 21.767 -12.591 -12.913 204 H ASN 80 HN ASN 80 20.344 -12.951 -9.608 205 HA ASN 80 HA ASN 80 21.567 -15.512 -9.424 206 1HB ASN 80 2HB ASN 80 20.009 -13.684 -7.581 207 2HB ASN 80 3HB ASN 80 20.128 -15.375 -7.138 208 1HD2 ASN 80 1HD2 ASN 80 21.586 -12.369 -7.044 209 2HD2 ASN 80 2HD2 ASN 80 23.181 -12.810 -6.533 210 HA PRO 81 HA PRO 81 17.926 -17.747 -10.423 211 1HB PRO 81 2HB PRO 81 18.416 -20.152 -9.221 212 2HB PRO 81 3HB PRO 81 19.110 -19.693 -10.763 213 1HG PRO 81 2HG PRO 81 20.406 -19.813 -8.109 214 2HG PRO 81 3HG PRO 81 21.152 -19.776 -9.694 215 1HD PRO 81 2HD PRO 81 20.947 -17.595 -7.843 216 2HD PRO 81 3HD PRO 81 21.589 -17.530 -9.472 217 H LEU 82 HN LEU 82 16.119 -16.795 -9.646 218 HA LEU 82 HA LEU 82 15.511 -16.306 -7.094 219 1HB LEU 82 2HB LEU 82 14.126 -16.501 -9.555 220 2HB LEU 82 3HB LEU 82 13.154 -17.339 -8.362 221 HG LEU 82 HG LEU 82 12.309 -15.217 -8.199 222 1HD1 LEU 82 1HD1 LEU 82 12.829 -14.382 -6.096 223 2HD1 LEU 82 2HD1 LEU 82 13.387 -16.070 -6.004 224 3HD1 LEU 82 3HD1 LEU 82 14.562 -14.757 -6.259 225 1HD2 LEU 82 1HD2 LEU 82 13.800 -13.144 -8.231 226 2HD2 LEU 82 2HD2 LEU 82 15.092 -14.223 -8.808 227 3HD2 LEU 82 3HD2 LEU 82 13.601 -14.032 -9.760 228 HA PRO 83 HA PRO 83 15.629 -20.430 -5.504 229 1HB PRO 83 2HB PRO 83 16.266 -19.745 -2.936 230 2HB PRO 83 3HB PRO 83 17.469 -20.059 -4.171 231 1HG PRO 83 2HG PRO 83 16.602 -17.467 -3.044 232 2HG PRO 83 3HG PRO 83 18.061 -17.841 -3.941 233 1HD PRO 83 2HD PRO 83 15.731 -16.495 -4.937 234 2HD PRO 83 3HD PRO 83 17.141 -16.973 -5.861 235 HA PRO 84 HA PRO 84 11.533 -20.152 -4.191 236 1HB PRO 84 2HB PRO 84 10.814 -22.733 -4.728 237 2HB PRO 84 3HB PRO 84 10.726 -21.447 -5.915 238 1HG PRO 84 2HG PRO 84 12.700 -23.637 -5.698 239 2HG PRO 84 3HG PRO 84 12.338 -22.617 -7.077 240 1HD PRO 84 2HD PRO 84 14.605 -22.404 -5.333 241 2HD PRO 84 3HD PRO 84 14.182 -21.316 -6.640 Start of MODEL 9 1 HA PRO 54 HA PRO 54 1.690 0.628 -1.902 2 1HB PRO 54 2HB PRO 54 4.263 -0.141 -1.396 3 2HB PRO 54 3HB PRO 54 3.677 1.486 -1.116 4 1HG PRO 54 2HG PRO 54 4.253 -0.640 0.854 5 2HG PRO 54 3HG PRO 54 4.083 1.084 1.118 6 1HD PRO 54 2HD PRO 54 2.147 -0.944 1.722 7 2HD PRO 54 3HD PRO 54 1.934 0.789 1.877 8 HA PRO 55 HA PRO 55 1.079 -3.646 -2.768 9 1HB PRO 55 2HB PRO 55 -0.798 -3.356 -4.733 10 2HB PRO 55 3HB PRO 55 -1.206 -3.597 -3.046 11 1HG PRO 55 2HG PRO 55 -1.339 -1.116 -4.648 12 2HG PRO 55 3HG PRO 55 -2.122 -1.482 -3.123 13 1HD PRO 55 2HD PRO 55 0.198 0.160 -3.510 14 2HD PRO 55 3HD PRO 55 -0.517 -0.300 -1.978 15 H GLY 56 HN GLY 56 1.566 -0.952 -4.915 16 1HA GLY 56 1HA GLY 56 3.808 -1.417 -6.084 17 2HA GLY 56 2HA GLY 56 2.932 -2.755 -6.800 18 H LEU 57 HN LEU 57 3.889 0.401 -7.321 19 HA LEU 57 HA LEU 57 1.574 1.549 -8.423 20 1HB LEU 57 2HB LEU 57 3.690 2.687 -7.657 21 2HB LEU 57 3HB LEU 57 4.445 2.137 -9.139 22 HG LEU 57 HG LEU 57 3.277 3.604 -10.465 23 1HD1 LEU 57 1HD1 LEU 57 1.116 4.717 -9.704 24 2HD1 LEU 57 2HD1 LEU 57 1.043 2.976 -10.069 25 3HD1 LEU 57 3HD1 LEU 57 1.096 3.529 -8.378 26 1HD2 LEU 57 1HD2 LEU 57 3.822 4.790 -7.786 27 2HD2 LEU 57 2HD2 LEU 57 4.537 5.153 -9.375 28 3HD2 LEU 57 3HD2 LEU 57 2.920 5.774 -8.964 29 H CYS 58 HN CYS 58 0.407 0.525 -9.976 30 HA CYS 58 HA CYS 58 1.266 -1.384 -11.679 31 1HB CYS 58 2HB CYS 58 -1.095 -0.774 -11.356 32 2HB CYS 58 3HB CYS 58 -0.850 0.721 -12.238 33 HA PRO 59 HA PRO 59 4.004 1.170 -14.071 34 1HB PRO 59 2HB PRO 59 5.531 -0.859 -15.080 35 2HB PRO 59 3HB PRO 59 5.873 -0.070 -13.553 36 1HG PRO 59 2HG PRO 59 4.699 -2.740 -14.038 37 2HG PRO 59 3HG PRO 59 5.432 -2.113 -12.575 38 1HD PRO 59 2HD PRO 59 2.628 -2.430 -13.090 39 2HD PRO 59 3HD PRO 59 3.358 -1.696 -11.676 40 H ARG 60 HN ARG 60 1.474 -0.649 -14.880 41 HA ARG 60 HA ARG 60 2.065 -0.653 -17.689 42 1HB ARG 60 2HB ARG 60 0.267 -2.083 -15.908 43 2HB ARG 60 3HB ARG 60 -0.682 -1.347 -17.184 44 1HG ARG 60 2HG ARG 60 1.515 -2.370 -18.578 45 2HG ARG 60 3HG ARG 60 1.261 -3.577 -17.333 46 1HD ARG 60 2HD ARG 60 -0.382 -4.426 -18.663 47 2HD ARG 60 3HD ARG 60 -1.346 -3.038 -18.199 48 HE ARG 60 HE ARG 60 0.427 -2.318 -20.358 49 1HH1 ARG 60 1HH1 ARG 60 -1.948 -2.731 -22.882 50 2HH1 ARG 60 2HH1 ARG 60 -0.410 -2.050 -22.468 51 1HH2 ARG 60 1HH2 ARG 60 -3.158 -3.914 -21.294 52 2HH2 ARG 60 2HH2 ARG 60 -2.524 -4.117 -19.695 53 H CYS 61 HN CYS 61 -0.770 0.436 -15.666 54 HA CYS 61 HA CYS 61 -1.437 2.377 -17.674 55 1HB CYS 61 2HB CYS 61 -3.393 2.841 -16.282 56 2HB CYS 61 3HB CYS 61 -3.223 1.120 -16.568 57 H LYS 62 HN LYS 62 0.271 2.121 -14.584 58 HA LYS 62 HA LYS 62 1.248 3.601 -13.259 59 1HB LYS 62 2HB LYS 62 2.672 5.197 -14.321 60 2HB LYS 62 3HB LYS 62 2.607 3.775 -15.342 61 1HG LYS 62 2HG LYS 62 1.220 4.830 -16.956 62 2HG LYS 62 3HG LYS 62 0.659 6.047 -15.826 63 1HD LYS 62 2HD LYS 62 2.492 7.403 -16.157 64 2HD LYS 62 3HD LYS 62 3.605 6.054 -16.271 65 1HE LYS 62 2HE LYS 62 3.324 5.823 -18.563 66 2HE LYS 62 3HE LYS 62 1.641 6.308 -18.520 67 1HZ LYS 62 1HZ LYS 62 3.935 7.900 -18.933 68 2HZ LYS 62 2HZ LYS 62 2.367 8.253 -19.223 69 3HZ LYS 62 3HZ LYS 62 3.002 8.517 -17.742 70 H LYS 63 HN LYS 63 -1.603 3.760 -13.335 71 HA LYS 63 HA LYS 63 -1.898 6.614 -12.731 72 1HB LYS 63 2HB LYS 63 -3.780 4.859 -14.325 73 2HB LYS 63 3HB LYS 63 -4.290 6.357 -13.573 74 1HG LYS 63 2HG LYS 63 -1.770 6.579 -15.145 75 2HG LYS 63 3HG LYS 63 -3.178 6.158 -16.101 76 1HD LYS 63 2HD LYS 63 -3.588 8.405 -16.132 77 2HD LYS 63 3HD LYS 63 -4.221 8.161 -14.517 78 1HE LYS 63 2HE LYS 63 -1.279 8.449 -14.539 79 2HE LYS 63 3HE LYS 63 -2.091 9.849 -15.212 80 1HZ LYS 63 1HZ LYS 63 -3.438 9.002 -12.914 81 2HZ LYS 63 2HZ LYS 63 -1.854 9.180 -12.562 82 3HZ LYS 63 3HZ LYS 63 -2.695 10.429 -13.193 83 H GLY 64 HN GLY 64 -1.337 3.903 -11.276 84 1HA GLY 64 1HA GLY 64 -2.584 4.479 -8.886 85 2HA GLY 64 2HA GLY 64 -3.666 3.379 -9.717 86 H TYR 65 HN TYR 65 -2.561 2.503 -7.357 87 HA TYR 65 HA TYR 65 -0.262 0.858 -8.116 88 1HB TYR 65 2HB TYR 65 -1.712 1.650 -5.519 89 2HB TYR 65 3HB TYR 65 -0.419 0.467 -5.524 90 HD1 TYR 65 HD1 TYR 65 -1.224 4.035 -6.128 91 HD2 TYR 65 HD2 TYR 65 1.883 1.133 -5.646 92 HE1 TYR 65 HE1 TYR 65 0.492 5.898 -5.907 93 HE2 TYR 65 HE2 TYR 65 3.588 3.006 -5.426 94 HH TYR 65 HH TYR 65 2.559 6.407 -5.578 95 H HIS 66 HN HIS 66 -0.669 -1.167 -8.839 96 HA HIS 66 HA HIS 66 -2.153 -2.986 -7.393 97 1HB HIS 66 2HB HIS 66 -4.110 -3.322 -8.870 98 2HB HIS 66 3HB HIS 66 -4.150 -1.808 -7.988 99 HD1 HIS 66 HD1 HIS 66 -4.880 0.119 -9.383 100 HD2 HIS 66 HD2 HIS 66 -2.898 -2.796 -11.656 101 HE1 HIS 66 HE1 HIS 66 -4.921 0.945 -11.797 102 H TRP 67 HN TRP 67 -2.457 -5.093 -8.710 103 HA TRP 67 HA TRP 67 -0.056 -5.435 -10.253 104 1HB TRP 67 2HB TRP 67 -2.212 -7.307 -9.282 105 2HB TRP 67 3HB TRP 67 -0.913 -7.829 -10.336 106 HD1 TRP 67 HD1 TRP 67 -1.501 -6.639 -6.716 107 HE1 TRP 67 HE1 TRP 67 0.554 -7.230 -5.169 108 HE3 TRP 67 HE3 TRP 67 1.537 -8.232 -10.469 109 HZ2 TRP 67 HZ2 TRP 67 3.160 -8.274 -5.678 110 HZ3 TRP 67 HZ3 TRP 67 3.821 -9.021 -9.858 111 HH2 TRP 67 HH2 TRP 67 4.647 -9.058 -7.558 112 H LYS 68 HN LYS 68 -0.012 -6.165 -12.480 113 HA LYS 68 HA LYS 68 -1.718 -4.827 -14.170 114 1HB LYS 68 2HB LYS 68 0.422 -5.513 -14.940 115 2HB LYS 68 3HB LYS 68 0.110 -7.199 -14.578 116 1HG LYS 68 2HG LYS 68 -1.858 -5.933 -16.432 117 2HG LYS 68 3HG LYS 68 -0.228 -6.055 -17.063 118 1HD LYS 68 2HD LYS 68 -0.182 -8.462 -16.734 119 2HD LYS 68 3HD LYS 68 -1.657 -8.427 -15.788 120 1HE LYS 68 2HE LYS 68 -2.910 -7.607 -17.816 121 2HE LYS 68 3HE LYS 68 -1.433 -7.717 -18.753 122 1HZ LYS 68 1HZ LYS 68 -3.183 -9.786 -17.934 123 2HZ LYS 68 2HZ LYS 68 -2.047 -9.794 -19.107 124 3HZ LYS 68 3HZ LYS 68 -1.630 -10.132 -17.565 125 H SER 69 HN SER 69 -1.851 -8.240 -12.992 126 HA SER 69 HA SER 69 -4.014 -8.964 -14.554 127 1HB SER 69 2HB SER 69 -4.088 -10.930 -13.245 128 2HB SER 69 3HB SER 69 -2.411 -10.430 -13.143 129 HG SER 69 HG SER 69 -2.906 -10.783 -11.031 130 H GLU 70 HN GLU 70 -3.734 -7.099 -11.556 131 HA GLU 70 HA GLU 70 -6.579 -7.313 -11.103 132 1HB GLU 70 2HB GLU 70 -4.288 -6.087 -9.524 133 2HB GLU 70 3HB GLU 70 -5.960 -5.816 -9.076 134 1HG GLU 70 2HG GLU 70 -4.734 -8.591 -9.426 135 2HG GLU 70 3HG GLU 70 -4.846 -7.768 -7.883 136 H CYS 71 HN CYS 71 -4.431 -5.456 -12.951 137 HA CYS 71 HA CYS 71 -5.254 -2.867 -12.561 138 1HB CYS 71 2HB CYS 71 -3.349 -3.429 -13.962 139 2HB CYS 71 3HB CYS 71 -4.381 -4.246 -15.119 140 H LYS 72 HN LYS 72 -7.245 -1.904 -12.794 141 HA LYS 72 HA LYS 72 -9.145 -3.236 -14.598 142 1HB LYS 72 2HB LYS 72 -9.535 -3.372 -12.039 143 2HB LYS 72 3HB LYS 72 -9.962 -1.677 -12.149 144 1HG LYS 72 2HG LYS 72 -11.664 -2.235 -13.913 145 2HG LYS 72 3HG LYS 72 -11.252 -3.931 -13.759 146 1HD LYS 72 2HD LYS 72 -11.836 -3.729 -11.259 147 2HD LYS 72 3HD LYS 72 -12.478 -2.138 -11.618 148 1HE LYS 72 2HE LYS 72 -14.438 -3.232 -12.047 149 2HE LYS 72 3HE LYS 72 -13.705 -3.646 -13.583 150 1HZ LYS 72 1HZ LYS 72 -14.564 -5.541 -12.272 151 2HZ LYS 72 2HZ LYS 72 -13.000 -5.697 -12.713 152 3HZ LYS 72 3HZ LYS 72 -13.378 -5.294 -11.177 153 H SER 73 HN SER 73 -7.030 -0.869 -14.680 154 HA SER 73 HA SER 73 -8.469 1.465 -14.952 155 1HB SER 73 2HB SER 73 -5.783 0.461 -15.697 156 2HB SER 73 3HB SER 73 -6.362 1.737 -16.748 157 HG SER 73 HG SER 73 -5.411 1.917 -14.182 158 H LYS 74 HN LYS 74 -8.207 2.632 -17.386 159 HA LYS 74 HA LYS 74 -9.670 0.812 -19.168 160 1HB LYS 74 2HB LYS 74 -10.124 3.628 -18.345 161 2HB LYS 74 3HB LYS 74 -10.362 3.284 -20.046 162 1HG LYS 74 2HG LYS 74 -11.663 1.134 -18.991 163 2HG LYS 74 3HG LYS 74 -11.883 2.263 -17.669 164 1HD LYS 74 2HD LYS 74 -12.676 3.965 -19.472 165 2HD LYS 74 3HD LYS 74 -12.761 2.598 -20.565 166 1HE LYS 74 2HE LYS 74 -14.961 2.775 -19.656 167 2HE LYS 74 3HE LYS 74 -14.236 1.434 -18.791 168 1HZ LYS 74 1HZ LYS 74 -14.021 2.677 -16.912 169 2HZ LYS 74 2HZ LYS 74 -13.981 4.113 -17.688 170 3HZ LYS 74 3HZ LYS 74 -15.397 3.319 -17.513 171 H PHE 75 HN PHE 75 -7.248 3.476 -18.928 172 HA PHE 75 HA PHE 75 -6.130 2.459 -21.439 173 1HB PHE 75 2HB PHE 75 -7.017 5.198 -20.536 174 2HB PHE 75 3HB PHE 75 -5.475 5.160 -21.368 175 HD1 PHE 75 HD1 PHE 75 -8.937 3.815 -21.778 176 HD2 PHE 75 HD2 PHE 75 -5.487 5.418 -23.658 177 HE1 PHE 75 HE1 PHE 75 -10.130 3.791 -23.987 178 HE2 PHE 75 HE2 PHE 75 -6.679 5.394 -25.867 179 HZ PHE 75 HZ PHE 75 -8.986 4.581 -26.005 180 H ASP 76 HN ASP 76 -3.915 2.166 -21.444 181 HA ASP 76 HA ASP 76 -2.543 3.170 -19.074 182 1HB ASP 76 2HB ASP 76 -1.106 1.129 -19.195 183 2HB ASP 76 3HB ASP 76 -2.789 0.740 -18.904 184 H LYS 77 HN LYS 77 0.090 2.657 -19.722 185 HA LYS 77 HA LYS 77 0.928 4.602 -21.321 186 1HB LYS 77 2HB LYS 77 2.074 1.904 -20.686 187 2HB LYS 77 3HB LYS 77 2.902 2.921 -21.847 188 1HG LYS 77 2HG LYS 77 3.418 4.564 -20.265 189 2HG LYS 77 3HG LYS 77 2.012 4.215 -19.279 190 1HD LYS 77 2HD LYS 77 3.762 3.342 -17.968 191 2HD LYS 77 3HD LYS 77 3.177 1.913 -18.798 192 1HE LYS 77 2HE LYS 77 4.968 2.188 -20.530 193 2HE LYS 77 3HE LYS 77 5.554 3.614 -19.697 194 1HZ LYS 77 1HZ LYS 77 5.530 1.861 -17.726 195 2HZ LYS 77 2HZ LYS 77 5.827 0.850 -18.973 196 3HZ LYS 77 3HZ LYS 77 6.828 2.108 -18.685 197 H ASP 78 HN ASP 78 1.590 4.872 -23.541 198 HA ASP 78 HA ASP 78 1.336 4.736 -25.689 199 1HB ASP 78 2HB ASP 78 2.360 2.590 -25.772 200 2HB ASP 78 3HB ASP 78 1.011 1.810 -24.970 201 H GLY 79 HN GLY 79 -1.062 4.746 -23.585 202 1HA GLY 79 1HA GLY 79 -3.295 4.984 -23.640 203 2HA GLY 79 2HA GLY 79 -3.130 5.340 -25.348 204 H ASN 80 HN ASN 80 -2.302 2.277 -23.606 205 HA ASN 80 HA ASN 80 -3.776 0.835 -25.567 206 1HB ASN 80 2HB ASN 80 -1.993 0.153 -23.219 207 2HB ASN 80 3HB ASN 80 -3.065 -1.099 -23.815 208 1HD2 ASN 80 1HD2 ASN 80 -0.120 0.451 -24.176 209 2HD2 ASN 80 2HD2 ASN 80 0.369 -0.164 -25.720 210 HA PRO 81 HA PRO 81 -7.370 0.629 -23.033 211 1HB PRO 81 2HB PRO 81 -8.819 -1.190 -24.470 212 2HB PRO 81 3HB PRO 81 -8.754 0.515 -24.870 213 1HG PRO 81 2HG PRO 81 -7.416 -1.755 -26.210 214 2HG PRO 81 3HG PRO 81 -7.712 -0.140 -26.821 215 1HD PRO 81 2HD PRO 81 -5.221 -1.177 -25.850 216 2HD PRO 81 3HD PRO 81 -5.546 0.470 -26.352 217 H LEU 82 HN LEU 82 -6.885 -0.101 -21.030 218 HA LEU 82 HA LEU 82 -5.740 -2.437 -20.398 219 1HB LEU 82 2HB LEU 82 -7.756 -0.708 -19.049 220 2HB LEU 82 3HB LEU 82 -7.414 -2.272 -18.338 221 HG LEU 82 HG LEU 82 -5.984 -0.828 -17.211 222 1HD1 LEU 82 1HD1 LEU 82 -4.872 -2.862 -18.275 223 2HD1 LEU 82 2HD1 LEU 82 -4.146 -1.721 -19.433 224 3HD1 LEU 82 3HD1 LEU 82 -3.803 -1.562 -17.694 225 1HD2 LEU 82 1HD2 LEU 82 -5.207 0.473 -19.836 226 2HD2 LEU 82 2HD2 LEU 82 -6.363 1.133 -18.654 227 3HD2 LEU 82 3HD2 LEU 82 -4.651 0.936 -18.210 228 HA PRO 83 HA PRO 83 -8.438 -5.669 -21.339 229 1HB PRO 83 2HB PRO 83 -7.878 -7.525 -19.413 230 2HB PRO 83 3HB PRO 83 -6.862 -7.265 -20.817 231 1HG PRO 83 2HG PRO 83 -6.400 -6.437 -18.017 232 2HG PRO 83 3HG PRO 83 -5.244 -6.569 -19.328 233 1HD PRO 83 2HD PRO 83 -6.389 -4.154 -18.287 234 2HD PRO 83 3HD PRO 83 -5.323 -4.298 -19.671 235 HA PRO 84 HA PRO 84 -12.091 -5.506 -19.190 236 1HB PRO 84 2HB PRO 84 -13.366 -7.806 -19.932 237 2HB PRO 84 3HB PRO 84 -13.309 -6.374 -20.940 238 1HG PRO 84 2HG PRO 84 -11.807 -8.904 -21.227 239 2HG PRO 84 3HG PRO 84 -12.090 -7.654 -22.422 240 1HD PRO 84 2HD PRO 84 -9.665 -8.114 -20.959 241 2HD PRO 84 3HD PRO 84 -9.987 -6.795 -22.067 Start of MODEL 10 1 HA PRO 54 HA PRO 54 1.690 0.628 -1.902 2 1HB PRO 54 2HB PRO 54 4.263 -0.141 -1.396 3 2HB PRO 54 3HB PRO 54 3.677 1.486 -1.116 4 1HG PRO 54 2HG PRO 54 4.253 -0.640 0.854 5 2HG PRO 54 3HG PRO 54 4.083 1.084 1.118 6 1HD PRO 54 2HD PRO 54 2.147 -0.944 1.722 7 2HD PRO 54 3HD PRO 54 1.934 0.789 1.877 8 HA PRO 55 HA PRO 55 1.506 -3.217 -3.686 9 1HB PRO 55 2HB PRO 55 2.629 -2.769 -6.137 10 2HB PRO 55 3HB PRO 55 0.970 -2.356 -5.753 11 1HG PRO 55 2HG PRO 55 3.307 -0.568 -6.035 12 2HG PRO 55 3HG PRO 55 1.603 -0.162 -6.077 13 1HD PRO 55 2HD PRO 55 3.417 0.264 -3.896 14 2HD PRO 55 3HD PRO 55 1.690 0.563 -3.897 15 H GLY 56 HN GLY 56 3.031 -3.841 -1.876 16 1HA GLY 56 1HA GLY 56 5.575 -4.677 -3.136 17 2HA GLY 56 2HA GLY 56 5.409 -4.214 -1.454 18 H LEU 57 HN LEU 57 6.472 -6.506 -1.342 19 HA LEU 57 HA LEU 57 4.935 -8.764 -1.935 20 1HB LEU 57 2HB LEU 57 7.425 -8.562 -1.484 21 2HB LEU 57 3HB LEU 57 7.028 -8.531 0.222 22 HG LEU 57 HG LEU 57 6.385 -10.750 0.272 23 1HD1 LEU 57 1HD1 LEU 57 4.687 -10.816 -1.372 24 2HD1 LEU 57 2HD1 LEU 57 5.843 -10.519 -2.692 25 3HD1 LEU 57 3HD1 LEU 57 5.863 -12.073 -1.824 26 1HD2 LEU 57 1HD2 LEU 57 8.537 -11.288 0.012 27 2HD2 LEU 57 2HD2 LEU 57 8.074 -11.821 -1.622 28 3HD2 LEU 57 3HD2 LEU 57 8.741 -10.189 -1.374 29 H CYS 58 HN CYS 58 2.911 -9.110 -1.179 30 HA CYS 58 HA CYS 58 1.675 -7.933 0.868 31 1HB CYS 58 2HB CYS 58 0.558 -9.443 -0.702 32 2HB CYS 58 3HB CYS 58 1.350 -10.830 0.019 33 HA PRO 59 HA PRO 59 4.257 -9.500 4.143 34 1HB PRO 59 2HB PRO 59 3.781 -7.475 5.915 35 2HB PRO 59 3HB PRO 59 5.073 -7.429 4.732 36 1HG PRO 59 2HG PRO 59 2.493 -5.987 4.714 37 2HG PRO 59 3HG PRO 59 3.947 -5.648 3.796 38 1HD PRO 59 2HD PRO 59 1.556 -6.898 2.823 39 2HD PRO 59 3HD PRO 59 3.050 -6.663 1.938 40 H ARG 60 HN ARG 60 1.063 -9.469 3.667 41 HA ARG 60 HA ARG 60 0.368 -10.105 6.364 42 1HB ARG 60 2HB ARG 60 -1.024 -9.359 3.917 43 2HB ARG 60 3HB ARG 60 -1.747 -10.821 4.558 44 1HG ARG 60 2HG ARG 60 -1.173 -8.842 6.673 45 2HG ARG 60 3HG ARG 60 -2.244 -8.202 5.443 46 1HD ARG 60 2HD ARG 60 -2.949 -10.967 6.228 47 2HD ARG 60 3HD ARG 60 -3.002 -9.851 7.579 48 HE ARG 60 HE ARG 60 -4.301 -8.758 5.208 49 1HH1 ARG 60 1HH1 ARG 60 -7.520 -9.340 6.423 50 2HH1 ARG 60 2HH1 ARG 60 -6.573 -8.513 5.232 51 1HH2 ARG 60 1HH2 ARG 60 -6.482 -10.696 7.995 52 2HH2 ARG 60 2HH2 ARG 60 -4.760 -10.881 7.976 53 H CYS 61 HN CYS 61 -0.045 -11.801 3.158 54 HA CYS 61 HA CYS 61 -0.076 -14.326 4.563 55 1HB CYS 61 2HB CYS 61 -0.828 -15.295 2.503 56 2HB CYS 61 3HB CYS 61 -1.741 -13.823 2.770 57 H LYS 62 HN LYS 62 1.898 -12.350 2.309 58 HA LYS 62 HA LYS 62 4.012 -12.486 1.687 59 1HB LYS 62 2HB LYS 62 4.332 -14.532 3.903 60 2HB LYS 62 3HB LYS 62 5.631 -13.695 3.078 61 1HG LYS 62 2HG LYS 62 3.833 -11.656 3.937 62 2HG LYS 62 3HG LYS 62 3.961 -12.767 5.285 63 1HD LYS 62 2HD LYS 62 6.553 -12.658 4.848 64 2HD LYS 62 3HD LYS 62 6.186 -11.228 3.904 65 1HE LYS 62 2HE LYS 62 6.674 -10.428 6.115 66 2HE LYS 62 3HE LYS 62 4.932 -10.317 5.952 67 1HZ LYS 62 1HZ LYS 62 6.184 -11.577 7.930 68 2HZ LYS 62 2HZ LYS 62 4.643 -11.881 7.485 69 3HZ LYS 62 3HZ LYS 62 5.853 -12.835 6.943 70 H LYS 63 HN LYS 63 2.219 -13.742 0.075 71 HA LYS 63 HA LYS 63 3.811 -15.998 -0.864 72 1HB LYS 63 2HB LYS 63 0.822 -16.073 -0.371 73 2HB LYS 63 3HB LYS 63 1.674 -17.237 -1.364 74 1HG LYS 63 2HG LYS 63 3.262 -17.342 0.841 75 2HG LYS 63 3HG LYS 63 1.769 -16.847 1.614 76 1HD LYS 63 2HD LYS 63 0.574 -18.781 0.705 77 2HD LYS 63 3HD LYS 63 1.942 -19.220 -0.298 78 1HE LYS 63 2HE LYS 63 3.051 -19.089 2.282 79 2HE LYS 63 3HE LYS 63 1.464 -19.778 2.561 80 1HZ LYS 63 1HZ LYS 63 3.581 -21.153 1.726 81 2HZ LYS 63 2HZ LYS 63 2.036 -21.635 1.511 82 3HZ LYS 63 3HZ LYS 63 2.830 -20.875 0.303 83 H GLY 64 HN GLY 64 3.095 -12.982 -1.432 84 1HA GLY 64 1HA GLY 64 3.482 -12.980 -4.145 85 2HA GLY 64 2HA GLY 64 1.742 -13.043 -3.953 86 H TYR 65 HN TYR 65 3.210 -10.820 -5.097 87 HA TYR 65 HA TYR 65 3.303 -8.788 -3.043 88 1HB TYR 65 2HB TYR 65 3.678 -8.980 -6.090 89 2HB TYR 65 3HB TYR 65 3.804 -7.444 -5.255 90 HD1 TYR 65 HD1 TYR 65 5.342 -10.798 -5.620 91 HD2 TYR 65 HD2 TYR 65 5.774 -6.854 -4.017 92 HE1 TYR 65 HE1 TYR 65 7.795 -11.257 -5.132 93 HE2 TYR 65 HE2 TYR 65 8.225 -7.327 -3.535 94 HH TYR 65 HH TYR 65 9.721 -8.990 -3.294 95 H HIS 66 HN HIS 66 1.626 -7.498 -2.470 96 HA HIS 66 HA HIS 66 -0.117 -6.327 -4.224 97 1HB HIS 66 2HB HIS 66 -2.230 -7.617 -3.699 98 2HB HIS 66 3HB HIS 66 -1.120 -8.359 -4.834 99 HD1 HIS 66 HD1 HIS 66 -0.361 -10.709 -4.322 100 HD2 HIS 66 HD2 HIS 66 -2.058 -8.804 -0.993 101 HE1 HIS 66 HE1 HIS 66 -0.546 -12.485 -2.499 102 H TRP 67 HN TRP 67 -2.116 -5.393 -2.967 103 HA TRP 67 HA TRP 67 -1.069 -4.344 -0.527 104 1HB TRP 67 2HB TRP 67 -3.546 -3.914 -2.162 105 2HB TRP 67 3HB TRP 67 -3.453 -3.287 -0.528 106 HD1 TRP 67 HD1 TRP 67 -1.588 -2.910 -3.922 107 HE1 TRP 67 HE1 TRP 67 -0.402 -0.558 -4.080 108 HE3 TRP 67 HE3 TRP 67 -2.661 -1.462 0.833 109 HZ2 TRP 67 HZ2 TRP 67 -0.054 1.596 -2.241 110 HZ3 TRP 67 HZ3 TRP 67 -1.861 0.781 1.572 111 HH2 TRP 67 HH2 TRP 67 -0.599 2.290 0.122 112 H LYS 68 HN LYS 68 -2.019 -4.617 1.600 113 HA LYS 68 HA LYS 68 -2.628 -7.212 2.269 114 1HB LYS 68 2HB LYS 68 -3.299 -4.650 3.748 115 2HB LYS 68 3HB LYS 68 -3.332 -6.257 4.447 116 1HG LYS 68 2HG LYS 68 -0.965 -6.541 4.211 117 2HG LYS 68 3HG LYS 68 -0.831 -5.224 3.063 118 1HD LYS 68 2HD LYS 68 -1.973 -4.040 5.368 119 2HD LYS 68 3HD LYS 68 -0.762 -5.140 5.995 120 1HE LYS 68 2HE LYS 68 1.012 -4.070 4.809 121 2HE LYS 68 3HE LYS 68 -0.083 -3.292 3.684 122 1HZ LYS 68 1HZ LYS 68 -0.124 -2.685 6.550 123 2HZ LYS 68 2HZ LYS 68 0.837 -1.880 5.504 124 3HZ LYS 68 3HZ LYS 68 -0.786 -1.821 5.333 125 H SER 69 HN SER 69 -4.869 -4.412 1.737 126 HA SER 69 HA SER 69 -7.148 -5.963 2.215 127 1HB SER 69 2HB SER 69 -7.185 -3.526 2.441 128 2HB SER 69 3HB SER 69 -6.753 -3.316 0.756 129 HG SER 69 HG SER 69 -8.940 -3.080 0.703 130 H GLU 70 HN GLU 70 -4.954 -5.687 -0.464 131 HA GLU 70 HA GLU 70 -6.949 -6.530 -2.367 132 1HB GLU 70 2HB GLU 70 -4.002 -5.809 -2.602 133 2HB GLU 70 3HB GLU 70 -4.909 -6.467 -3.949 134 1HG GLU 70 2HG GLU 70 -5.746 -3.969 -2.403 135 2HG GLU 70 3HG GLU 70 -4.813 -3.928 -3.886 136 H CYS 71 HN CYS 71 -5.098 -7.978 0.018 137 HA CYS 71 HA CYS 71 -3.963 -10.155 -1.276 138 1HB CYS 71 2HB CYS 71 -3.376 -9.566 1.009 139 2HB CYS 71 3HB CYS 71 -5.009 -9.887 1.561 140 H LYS 72 HN LYS 72 -5.002 -11.708 -2.474 141 HA LYS 72 HA LYS 72 -7.794 -12.276 -1.765 142 1HB LYS 72 2HB LYS 72 -7.031 -11.294 -4.098 143 2HB LYS 72 3HB LYS 72 -6.612 -12.962 -4.436 144 1HG LYS 72 2HG LYS 72 -8.794 -13.328 -4.935 145 2HG LYS 72 3HG LYS 72 -9.155 -13.140 -3.231 146 1HD LYS 72 2HD LYS 72 -8.919 -10.491 -4.099 147 2HD LYS 72 3HD LYS 72 -9.665 -11.280 -5.475 148 1HE LYS 72 2HE LYS 72 -10.711 -11.680 -2.641 149 2HE LYS 72 3HE LYS 72 -11.246 -10.343 -3.640 150 1HZ LYS 72 1HZ LYS 72 -12.219 -11.771 -5.131 151 2HZ LYS 72 2HZ LYS 72 -11.331 -13.066 -4.684 152 3HZ LYS 72 3HZ LYS 72 -12.527 -12.522 -3.714 153 H SER 73 HN SER 73 -4.950 -13.335 -0.841 154 HA SER 73 HA SER 73 -4.855 -15.975 -1.727 155 1HB SER 73 2HB SER 73 -3.336 -14.268 -0.038 156 2HB SER 73 3HB SER 73 -3.771 -15.641 0.961 157 HG SER 73 HG SER 73 -2.898 -17.055 -0.703 158 H LYS 74 HN LYS 74 -4.983 -17.874 0.024 159 HA LYS 74 HA LYS 74 -7.642 -17.637 1.206 160 1HB LYS 74 2HB LYS 74 -6.899 -19.471 -0.492 161 2HB LYS 74 3HB LYS 74 -6.097 -20.202 0.884 162 1HG LYS 74 2HG LYS 74 -8.585 -19.598 1.955 163 2HG LYS 74 3HG LYS 74 -9.003 -19.968 0.294 164 1HD LYS 74 2HD LYS 74 -7.075 -21.926 1.240 165 2HD LYS 74 3HD LYS 74 -8.383 -21.809 2.400 166 1HE LYS 74 2HE LYS 74 -9.085 -23.464 0.810 167 2HE LYS 74 3HE LYS 74 -10.016 -22.029 0.430 168 1HZ LYS 74 1HZ LYS 74 -7.829 -21.687 -1.053 169 2HZ LYS 74 2HZ LYS 74 -7.977 -23.313 -1.100 170 3HZ LYS 74 3HZ LYS 74 -9.211 -22.366 -1.596 171 H PHE 75 HN PHE 75 -4.229 -18.534 1.947 172 HA PHE 75 HA PHE 75 -4.930 -18.190 4.776 173 1HB PHE 75 2HB PHE 75 -3.311 -20.248 3.226 174 2HB PHE 75 3HB PHE 75 -2.774 -19.854 4.847 175 HD1 PHE 75 HD1 PHE 75 -3.960 -20.639 6.765 176 HD2 PHE 75 HD2 PHE 75 -5.552 -21.267 2.882 177 HE1 PHE 75 HE1 PHE 75 -5.630 -22.256 7.712 178 HE2 PHE 75 HE2 PHE 75 -7.222 -22.884 3.829 179 HZ PHE 75 HZ PHE 75 -7.242 -23.359 6.232 180 H ASP 76 HN ASP 76 -3.474 -17.001 6.050 181 HA ASP 76 HA ASP 76 -1.207 -15.926 4.566 182 1HB ASP 76 2HB ASP 76 -1.538 -13.792 5.815 183 2HB ASP 76 3HB ASP 76 -2.915 -14.182 4.803 184 H LYS 77 HN LYS 77 0.147 -14.590 6.569 185 HA LYS 77 HA LYS 77 1.554 -16.385 7.929 186 1HB LYS 77 2HB LYS 77 1.523 -13.694 7.828 187 2HB LYS 77 3HB LYS 77 0.910 -13.909 9.455 188 1HG LYS 77 2HG LYS 77 3.392 -15.378 8.478 189 2HG LYS 77 3HG LYS 77 3.488 -13.765 9.155 190 1HD LYS 77 2HD LYS 77 1.854 -15.297 10.942 191 2HD LYS 77 3HD LYS 77 3.231 -16.305 10.543 192 1HE LYS 77 2HE LYS 77 4.395 -15.121 12.099 193 2HE LYS 77 3HE LYS 77 4.409 -13.799 10.948 194 1HZ LYS 77 1HZ LYS 77 2.145 -14.204 12.757 195 2HZ LYS 77 2HZ LYS 77 3.460 -13.353 13.218 196 3HZ LYS 77 3HZ LYS 77 2.564 -12.849 11.949 197 H ASP 78 HN ASP 78 1.577 -17.328 10.060 198 HA ASP 78 HA ASP 78 0.709 -18.372 11.750 199 1HB ASP 78 2HB ASP 78 0.037 -16.333 12.780 200 2HB ASP 78 3HB ASP 78 -1.210 -16.031 11.586 201 H GLY 79 HN GLY 79 -0.408 -18.523 8.764 202 1HA GLY 79 1HA GLY 79 -1.863 -19.791 7.616 203 2HA GLY 79 2HA GLY 79 -1.991 -20.791 9.050 204 H ASN 80 HN ASN 80 -2.898 -17.311 8.609 205 HA ASN 80 HA ASN 80 -5.425 -17.898 9.796 206 1HB ASN 80 2HB ASN 80 -3.934 -15.410 8.928 207 2HB ASN 80 3HB ASN 80 -5.670 -15.290 9.135 208 1HD2 ASN 80 1HD2 ASN 80 -2.676 -15.205 10.625 209 2HD2 ASN 80 2HD2 ASN 80 -3.153 -15.276 12.289 210 HA PRO 81 HA PRO 81 -7.410 -18.195 5.881 211 1HB PRO 81 2HB PRO 81 -10.019 -18.159 6.693 212 2HB PRO 81 3HB PRO 81 -9.026 -19.603 6.721 213 1HG PRO 81 2HG PRO 81 -9.878 -17.895 8.979 214 2HG PRO 81 3HG PRO 81 -9.265 -19.536 9.014 215 1HD PRO 81 2HD PRO 81 -7.824 -17.151 9.696 216 2HD PRO 81 3HD PRO 81 -7.180 -18.779 9.619 217 H LEU 82 HN LEU 82 -6.827 -16.435 4.687 218 HA LEU 82 HA LEU 82 -7.354 -13.867 5.227 219 1HB LEU 82 2HB LEU 82 -7.157 -15.432 2.699 220 2HB LEU 82 3HB LEU 82 -7.692 -13.766 2.594 221 HG LEU 82 HG LEU 82 -5.398 -13.639 2.236 222 1HD1 LEU 82 1HD1 LEU 82 -6.320 -12.130 4.084 223 2HD1 LEU 82 2HD1 LEU 82 -5.455 -13.193 5.220 224 3HD1 LEU 82 3HD1 LEU 82 -4.552 -12.304 3.969 225 1HD2 LEU 82 1HD2 LEU 82 -5.112 -16.076 3.130 226 2HD2 LEU 82 2HD2 LEU 82 -3.733 -14.951 3.144 227 3HD2 LEU 82 3HD2 LEU 82 -4.641 -15.264 4.642 228 HA PRO 83 HA PRO 83 -11.611 -13.195 5.032 229 1HB PRO 83 2HB PRO 83 -11.789 -10.622 4.127 230 2HB PRO 83 3HB PRO 83 -11.400 -11.030 5.786 231 1HG PRO 83 2HG PRO 83 -9.605 -10.058 3.648 232 2HG PRO 83 3HG PRO 83 -9.345 -10.064 5.381 233 1HD PRO 83 2HD PRO 83 -8.203 -11.871 3.468 234 2HD PRO 83 3HD PRO 83 -8.037 -11.947 5.211 235 HA PRO 84 HA PRO 84 -12.614 -14.316 0.993 236 1HB PRO 84 2HB PRO 84 -14.915 -15.674 1.564 237 2HB PRO 84 3HB PRO 84 -13.330 -16.422 1.586 238 1HG PRO 84 2HG PRO 84 -15.030 -15.614 3.865 239 2HG PRO 84 3HG PRO 84 -13.673 -16.721 3.847 240 1HD PRO 84 2HD PRO 84 -13.671 -14.021 4.815 241 2HD PRO 84 3HD PRO 84 -12.289 -15.090 4.689 Start of MODEL 11 1 HA PRO 54 HA PRO 54 1.690 0.628 -1.902 2 1HB PRO 54 2HB PRO 54 4.263 -0.141 -1.396 3 2HB PRO 54 3HB PRO 54 3.677 1.486 -1.116 4 1HG PRO 54 2HG PRO 54 4.253 -0.640 0.854 5 2HG PRO 54 3HG PRO 54 4.083 1.084 1.118 6 1HD PRO 54 2HD PRO 54 2.147 -0.944 1.722 7 2HD PRO 54 3HD PRO 54 1.934 0.789 1.877 8 HA PRO 55 HA PRO 55 1.688 -3.182 -3.769 9 1HB PRO 55 2HB PRO 55 3.291 -2.870 -5.961 10 2HB PRO 55 3HB PRO 55 1.634 -2.303 -5.897 11 1HG PRO 55 2HG PRO 55 4.136 -0.738 -5.723 12 2HG PRO 55 3HG PRO 55 2.514 -0.180 -6.085 13 1HD PRO 55 2HD PRO 55 3.914 0.109 -3.598 14 2HD PRO 55 3HD PRO 55 2.253 0.563 -3.925 15 H GLY 56 HN GLY 56 3.388 -4.796 -5.116 16 1HA GLY 56 1HA GLY 56 5.551 -5.164 -3.128 17 2HA GLY 56 2HA GLY 56 4.585 -6.486 -3.753 18 H LEU 57 HN LEU 57 6.281 -3.608 -5.210 19 HA LEU 57 HA LEU 57 6.945 -5.058 -7.547 20 1HB LEU 57 2HB LEU 57 6.583 -2.568 -7.285 21 2HB LEU 57 3HB LEU 57 8.172 -2.489 -6.551 22 HG LEU 57 HG LEU 57 9.281 -2.913 -8.532 23 1HD1 LEU 57 1HD1 LEU 57 8.107 -3.873 -10.572 24 2HD1 LEU 57 2HD1 LEU 57 8.371 -4.981 -9.204 25 3HD1 LEU 57 3HD1 LEU 57 6.759 -4.277 -9.482 26 1HD2 LEU 57 1HD2 LEU 57 7.226 -0.984 -8.593 27 2HD2 LEU 57 2HD2 LEU 57 8.728 -1.021 -9.547 28 3HD2 LEU 57 3HD2 LEU 57 7.242 -1.753 -10.198 29 H CYS 58 HN CYS 58 8.292 -6.782 -7.506 30 HA CYS 58 HA CYS 58 10.061 -7.392 -5.538 31 1HB CYS 58 2HB CYS 58 9.335 -8.946 -7.316 32 2HB CYS 58 3HB CYS 58 10.314 -8.082 -8.484 33 HA PRO 59 HA PRO 59 12.954 -4.134 -6.379 34 1HB PRO 59 2HB PRO 59 14.218 -4.196 -3.957 35 2HB PRO 59 3HB PRO 59 12.786 -3.235 -4.266 36 1HG PRO 59 2HG PRO 59 13.029 -5.766 -2.758 37 2HG PRO 59 3HG PRO 59 11.732 -4.588 -2.724 38 1HD PRO 59 2HD PRO 59 11.714 -7.123 -4.067 39 2HD PRO 59 3HD PRO 59 10.464 -5.895 -4.128 40 H ARG 60 HN ARG 60 13.276 -7.351 -6.303 41 HA ARG 60 HA ARG 60 16.148 -7.290 -6.301 42 1HB ARG 60 2HB ARG 60 14.073 -9.287 -5.864 43 2HB ARG 60 3HB ARG 60 15.165 -9.864 -7.107 44 1HG ARG 60 2HG ARG 60 16.036 -10.582 -4.950 45 2HG ARG 60 3HG ARG 60 17.115 -9.358 -5.589 46 1HD ARG 60 2HD ARG 60 14.994 -8.088 -4.034 47 2HD ARG 60 3HD ARG 60 15.769 -9.333 -3.075 48 HE ARG 60 HE ARG 60 17.636 -7.567 -4.516 49 1HH1 ARG 60 1HH1 ARG 60 18.732 -6.084 -1.554 50 2HH1 ARG 60 2HH1 ARG 60 19.026 -6.269 -3.251 51 1HH2 ARG 60 1HH2 ARG 60 16.926 -7.156 -0.566 52 2HH2 ARG 60 2HH2 ARG 60 15.872 -8.140 -1.526 53 H CYS 61 HN CYS 61 13.623 -8.764 -8.485 54 HA CYS 61 HA CYS 61 15.434 -8.597 -10.696 55 1HB CYS 61 2HB CYS 61 13.621 -9.674 -11.968 56 2HB CYS 61 3HB CYS 61 13.994 -10.545 -10.494 57 H LYS 62 HN LYS 62 12.544 -6.922 -9.387 58 HA LYS 62 HA LYS 62 11.534 -5.037 -9.930 59 1HB LYS 62 2HB LYS 62 14.141 -4.416 -9.834 60 2HB LYS 62 3HB LYS 62 13.844 -4.006 -11.511 61 1HG LYS 62 2HG LYS 62 11.729 -3.040 -9.662 62 2HG LYS 62 3HG LYS 62 13.309 -2.355 -9.337 63 1HD LYS 62 2HD LYS 62 13.291 -2.097 -12.047 64 2HD LYS 62 3HD LYS 62 11.563 -2.044 -11.760 65 1HE LYS 62 2HE LYS 62 12.339 -0.326 -9.808 66 2HE LYS 62 3HE LYS 62 13.696 -0.105 -10.895 67 1HZ LYS 62 1HZ LYS 62 11.447 1.199 -11.156 68 2HZ LYS 62 2HZ LYS 62 12.386 0.830 -12.440 69 3HZ LYS 62 3HZ LYS 62 11.075 -0.082 -12.099 70 H LYS 63 HN LYS 63 11.114 -7.346 -11.596 71 HA LYS 63 HA LYS 63 10.487 -5.957 -14.105 72 1HB LYS 63 2HB LYS 63 11.548 -8.775 -13.761 73 2HB LYS 63 3HB LYS 63 10.841 -8.172 -15.246 74 1HG LYS 63 2HG LYS 63 12.621 -6.720 -15.679 75 2HG LYS 63 3HG LYS 63 13.004 -6.502 -13.983 76 1HD LYS 63 2HD LYS 63 14.789 -7.832 -14.875 77 2HD LYS 63 3HD LYS 63 13.798 -8.942 -13.951 78 1HE LYS 63 2HE LYS 63 12.589 -9.546 -16.120 79 2HE LYS 63 3HE LYS 63 13.759 -8.566 -16.982 80 1HZ LYS 63 1HZ LYS 63 14.053 -11.167 -16.038 81 2HZ LYS 63 2HZ LYS 63 15.100 -10.289 -16.932 82 3HZ LYS 63 3HZ LYS 63 15.172 -10.233 -15.302 83 H GLY 64 HN GLY 64 9.149 -6.735 -11.349 84 1HA GLY 64 1HA GLY 64 6.552 -6.984 -12.276 85 2HA GLY 64 2HA GLY 64 7.122 -8.617 -11.992 86 H TYR 65 HN TYR 65 5.030 -7.775 -10.443 87 HA TYR 65 HA TYR 65 6.204 -6.863 -7.922 88 1HB TYR 65 2HB TYR 65 3.393 -7.198 -9.125 89 2HB TYR 65 3HB TYR 65 3.611 -6.802 -7.432 90 HD1 TYR 65 HD1 TYR 65 3.861 -5.557 -10.877 91 HD2 TYR 65 HD2 TYR 65 4.433 -4.592 -6.749 92 HE1 TYR 65 HE1 TYR 65 3.994 -3.087 -11.466 93 HE2 TYR 65 HE2 TYR 65 4.565 -2.125 -7.351 94 HH TYR 65 HH TYR 65 4.207 -0.640 -8.931 95 H HIS 66 HN HIS 66 6.875 -8.429 -6.544 96 HA HIS 66 HA HIS 66 5.127 -10.401 -5.654 97 1HB HIS 66 2HB HIS 66 6.288 -12.422 -6.496 98 2HB HIS 66 3HB HIS 66 5.435 -11.529 -7.740 99 HD1 HIS 66 HD1 HIS 66 6.736 -11.296 -9.849 100 HD2 HIS 66 HD2 HIS 66 9.234 -11.520 -6.487 101 HE1 HIS 66 HE1 HIS 66 9.129 -11.224 -10.731 102 H TRP 67 HN TRP 67 6.364 -11.997 -4.145 103 HA TRP 67 HA TRP 67 8.222 -10.387 -2.652 104 1HB TRP 67 2HB TRP 67 6.873 -13.039 -2.198 105 2HB TRP 67 3HB TRP 67 8.151 -12.466 -1.145 106 HD1 TRP 67 HD1 TRP 67 4.549 -11.499 -2.208 107 HE1 TRP 67 HE1 TRP 67 3.409 -9.965 -0.388 108 HE3 TRP 67 HE3 TRP 67 8.697 -10.947 0.681 109 HZ2 TRP 67 HZ2 TRP 67 4.350 -8.721 2.002 110 HZ3 TRP 67 HZ3 TRP 67 8.500 -9.556 2.741 111 HH2 TRP 67 HH2 TRP 67 6.421 -8.463 3.417 112 H LYS 68 HN LYS 68 10.416 -11.061 -2.132 113 HA LYS 68 HA LYS 68 11.894 -11.912 -4.276 114 1HB LYS 68 2HB LYS 68 12.485 -11.913 -1.308 115 2HB LYS 68 3HB LYS 68 13.686 -12.332 -2.513 116 1HG LYS 68 2HG LYS 68 13.952 -10.160 -3.188 117 2HG LYS 68 3HG LYS 68 12.229 -9.840 -3.168 118 1HD LYS 68 2HD LYS 68 13.478 -10.218 -0.479 119 2HD LYS 68 3HD LYS 68 14.014 -8.797 -1.352 120 1HE LYS 68 2HE LYS 68 11.252 -8.738 -1.763 121 2HE LYS 68 3HE LYS 68 11.373 -9.372 -0.133 122 1HZ LYS 68 1HZ LYS 68 13.072 -7.127 -0.755 123 2HZ LYS 68 2HZ LYS 68 11.471 -6.815 -0.672 124 3HZ LYS 68 3HZ LYS 68 12.245 -7.460 0.613 125 H SER 69 HN SER 69 10.693 -13.838 -1.452 126 HA SER 69 HA SER 69 11.851 -16.209 -2.312 127 1HB SER 69 2HB SER 69 10.960 -15.707 0.001 128 2HB SER 69 3HB SER 69 9.331 -15.856 -0.629 129 HG SER 69 HG SER 69 9.920 -18.078 -1.303 130 H GLU 70 HN GLU 70 8.930 -14.462 -3.258 131 HA GLU 70 HA GLU 70 7.831 -16.790 -4.538 132 1HB GLU 70 2HB GLU 70 6.906 -13.942 -4.103 133 2HB GLU 70 3HB GLU 70 6.116 -14.930 -5.315 134 1HG GLU 70 2HG GLU 70 6.420 -16.509 -2.906 135 2HG GLU 70 3HG GLU 70 5.718 -14.964 -2.468 136 H CYS 71 HN CYS 71 10.179 -14.432 -5.219 137 HA CYS 71 HA CYS 71 9.697 -13.630 -7.774 138 1HB CYS 71 2HB CYS 71 11.586 -12.841 -6.414 139 2HB CYS 71 3HB CYS 71 12.368 -14.403 -6.554 140 H LYS 72 HN LYS 72 9.340 -14.759 -9.654 141 HA LYS 72 HA LYS 72 10.390 -17.502 -9.757 142 1HB LYS 72 2HB LYS 72 7.776 -16.833 -9.768 143 2HB LYS 72 3HB LYS 72 8.100 -16.707 -11.485 144 1HG LYS 72 2HG LYS 72 9.148 -19.021 -11.399 145 2HG LYS 72 3HG LYS 72 8.654 -19.138 -9.721 146 1HD LYS 72 2HD LYS 72 6.511 -18.354 -11.665 147 2HD LYS 72 3HD LYS 72 7.110 -19.995 -11.808 148 1HE LYS 72 2HE LYS 72 6.679 -20.348 -9.353 149 2HE LYS 72 3HE LYS 72 6.039 -18.720 -9.244 150 1HZ LYS 72 1HZ LYS 72 4.534 -19.526 -11.146 151 2HZ LYS 72 2HZ LYS 72 4.912 -21.023 -10.616 152 3HZ LYS 72 3HZ LYS 72 4.183 -19.962 -9.612 153 H SER 73 HN SER 73 11.313 -14.556 -10.602 154 HA SER 73 HA SER 73 11.476 -14.722 -13.396 155 1HB SER 73 2HB SER 73 12.567 -12.978 -11.234 156 2HB SER 73 3HB SER 73 13.514 -13.016 -12.708 157 HG SER 73 HG SER 73 11.723 -11.365 -12.550 158 H LYS 74 HN LYS 74 13.593 -14.878 -14.640 159 HA LYS 74 HA LYS 74 15.061 -17.155 -13.651 160 1HB LYS 74 2HB LYS 74 14.665 -15.788 -16.264 161 2HB LYS 74 3HB LYS 74 16.203 -16.594 -16.031 162 1HG LYS 74 2HG LYS 74 14.751 -18.613 -15.153 163 2HG LYS 74 3HG LYS 74 13.418 -17.799 -15.947 164 1HD LYS 74 2HD LYS 74 14.121 -19.035 -17.759 165 2HD LYS 74 3HD LYS 74 15.219 -17.685 -17.975 166 1HE LYS 74 2HE LYS 74 16.492 -19.398 -16.088 167 2HE LYS 74 3HE LYS 74 15.833 -20.465 -17.313 168 1HZ LYS 74 1HZ LYS 74 18.068 -19.566 -17.790 169 2HZ LYS 74 2HZ LYS 74 16.981 -19.284 -18.976 170 3HZ LYS 74 3HZ LYS 74 17.415 -18.079 -17.963 171 H PHE 75 HN PHE 75 15.501 -13.652 -14.210 172 HA PHE 75 HA PHE 75 17.940 -13.827 -12.641 173 1HB PHE 75 2HB PHE 75 17.562 -12.859 -15.508 174 2HB PHE 75 3HB PHE 75 18.751 -12.043 -14.511 175 HD1 PHE 75 HD1 PHE 75 17.961 -15.066 -16.355 176 HD2 PHE 75 HD2 PHE 75 20.728 -13.275 -13.681 177 HE1 PHE 75 HE1 PHE 75 19.643 -16.847 -16.901 178 HE2 PHE 75 HE2 PHE 75 22.410 -15.056 -14.228 179 HZ PHE 75 HZ PHE 75 21.847 -16.821 -15.832 180 H ASP 76 HN ASP 76 18.632 -11.676 -11.805 181 HA ASP 76 HA ASP 76 16.463 -9.742 -11.932 182 1HB ASP 76 2HB ASP 76 16.869 -9.277 -9.481 183 2HB ASP 76 3HB ASP 76 16.182 -10.857 -9.800 184 H LYS 77 HN LYS 77 17.519 -7.668 -10.460 185 HA LYS 77 HA LYS 77 19.264 -6.382 -11.991 186 1HB LYS 77 2HB LYS 77 18.893 -6.327 -8.999 187 2HB LYS 77 3HB LYS 77 20.040 -5.260 -9.782 188 1HG LYS 77 2HG LYS 77 17.563 -5.201 -11.285 189 2HG LYS 77 3HG LYS 77 17.187 -4.960 -9.591 190 1HD LYS 77 2HD LYS 77 17.624 -2.773 -10.510 191 2HD LYS 77 3HD LYS 77 19.008 -3.177 -9.513 192 1HE LYS 77 2HE LYS 77 20.086 -2.434 -11.449 193 2HE LYS 77 3HE LYS 77 20.008 -4.154 -11.774 194 1HZ LYS 77 1HZ LYS 77 19.227 -2.826 -13.622 195 2HZ LYS 77 2HZ LYS 77 18.031 -3.785 -13.057 196 3HZ LYS 77 3HZ LYS 77 18.032 -2.189 -12.709 197 H ASP 78 HN ASP 78 21.578 -5.987 -12.032 198 HA ASP 78 HA ASP 78 23.657 -6.594 -12.096 199 1HB ASP 78 2HB ASP 78 23.836 -6.602 -9.725 200 2HB ASP 78 3HB ASP 78 22.809 -8.012 -9.557 201 H GLY 79 HN GLY 79 21.203 -8.424 -13.020 202 1HA GLY 79 1HA GLY 79 20.929 -10.319 -14.195 203 2HA GLY 79 2HA GLY 79 22.654 -10.286 -14.503 204 H ASN 80 HN ASN 80 21.061 -10.515 -11.275 205 HA ASN 80 HA ASN 80 22.688 -12.743 -10.656 206 1HB ASN 80 2HB ASN 80 20.579 -11.101 -9.244 207 2HB ASN 80 3HB ASN 80 20.947 -12.679 -8.578 208 1HD2 ASN 80 1HD2 ASN 80 21.812 -9.447 -8.735 209 2HD2 ASN 80 2HD2 ASN 80 23.372 -9.506 -7.985 210 HA PRO 81 HA PRO 81 19.733 -15.774 -11.827 211 1HB PRO 81 2HB PRO 81 20.711 -17.956 -10.503 212 2HB PRO 81 3HB PRO 81 21.358 -17.392 -12.031 213 1HG PRO 81 2HG PRO 81 22.504 -17.120 -9.319 214 2HG PRO 81 3HG PRO 81 23.303 -16.956 -10.870 215 1HD PRO 81 2HD PRO 81 22.493 -14.830 -9.124 216 2HD PRO 81 3HD PRO 81 23.186 -14.665 -10.724 217 H LEU 82 HN LEU 82 17.709 -16.448 -11.325 218 HA LEU 82 HA LEU 82 17.116 -16.158 -8.465 219 1HB LEU 82 2HB LEU 82 15.682 -15.422 -10.953 220 2HB LEU 82 3HB LEU 82 14.701 -16.053 -9.646 221 HG LEU 82 HG LEU 82 14.831 -14.156 -8.470 222 1HD1 LEU 82 1HD1 LEU 82 16.952 -14.430 -7.543 223 2HD1 LEU 82 2HD1 LEU 82 17.774 -14.218 -9.107 224 3HD1 LEU 82 3HD1 LEU 82 17.027 -12.820 -8.298 225 1HD2 LEU 82 1HD2 LEU 82 14.717 -12.293 -9.765 226 2HD2 LEU 82 2HD2 LEU 82 16.220 -12.667 -10.643 227 3HD2 LEU 82 3HD2 LEU 82 14.711 -13.516 -11.058 228 HA PRO 83 HA PRO 83 16.038 -20.334 -8.353 229 1HB PRO 83 2HB PRO 83 14.191 -20.401 -6.340 230 2HB PRO 83 3HB PRO 83 15.918 -20.327 -6.054 231 1HG PRO 83 2HG PRO 83 13.902 -18.181 -5.788 232 2HG PRO 83 3HG PRO 83 15.519 -18.258 -5.116 233 1HD PRO 83 2HD PRO 83 14.675 -16.725 -7.389 234 2HD PRO 83 3HD PRO 83 16.312 -16.893 -6.787 235 HA PRO 84 HA PRO 84 12.591 -21.202 -10.666 236 1HB PRO 84 2HB PRO 84 12.139 -23.848 -10.153 237 2HB PRO 84 3HB PRO 84 13.365 -23.284 -11.271 238 1HG PRO 84 2HG PRO 84 13.704 -24.368 -8.542 239 2HG PRO 84 3HG PRO 84 14.898 -24.203 -9.814 240 1HD PRO 84 2HD PRO 84 14.607 -22.526 -7.505 241 2HD PRO 84 3HD PRO 84 15.724 -22.294 -8.835 Start of MODEL 12 1 HA PRO 54 HA PRO 54 1.690 0.628 -1.902 2 1HB PRO 54 2HB PRO 54 4.263 -0.141 -1.396 3 2HB PRO 54 3HB PRO 54 3.677 1.486 -1.116 4 1HG PRO 54 2HG PRO 54 4.253 -0.640 0.854 5 2HG PRO 54 3HG PRO 54 4.083 1.084 1.118 6 1HD PRO 54 2HD PRO 54 2.147 -0.944 1.722 7 2HD PRO 54 3HD PRO 54 1.934 0.789 1.877 8 HA PRO 55 HA PRO 55 1.134 -3.398 -3.288 9 1HB PRO 55 2HB PRO 55 0.683 -2.824 -5.921 10 2HB PRO 55 3HB PRO 55 -0.582 -2.817 -4.708 11 1HG PRO 55 2HG PRO 55 0.759 -0.521 -6.001 12 2HG PRO 55 3HG PRO 55 -0.761 -0.556 -5.129 13 1HD PRO 55 2HD PRO 55 1.752 0.432 -4.159 14 2HD PRO 55 3HD PRO 55 0.260 0.290 -3.250 15 H GLY 56 HN GLY 56 3.521 -3.372 -2.562 16 1HA GLY 56 1HA GLY 56 4.967 -4.447 -4.814 17 2HA GLY 56 2HA GLY 56 5.605 -2.922 -4.233 18 H LEU 57 HN LEU 57 7.546 -4.361 -3.755 19 HA LEU 57 HA LEU 57 7.546 -6.412 -1.954 20 1HB LEU 57 2HB LEU 57 9.417 -5.471 -3.391 21 2HB LEU 57 3HB LEU 57 9.684 -4.294 -2.120 22 HG LEU 57 HG LEU 57 10.502 -5.866 -0.626 23 1HD1 LEU 57 1HD1 LEU 57 8.783 -7.461 -0.504 24 2HD1 LEU 57 2HD1 LEU 57 8.973 -7.928 -2.212 25 3HD1 LEU 57 3HD1 LEU 57 10.222 -8.372 -1.024 26 1HD2 LEU 57 1HD2 LEU 57 12.029 -5.558 -2.523 27 2HD2 LEU 57 2HD2 LEU 57 12.186 -7.177 -1.799 28 3HD2 LEU 57 3HD2 LEU 57 11.306 -6.969 -3.332 29 H CYS 58 HN CYS 58 6.559 -6.505 -0.008 30 HA CYS 58 HA CYS 58 5.669 -4.434 1.463 31 1HB CYS 58 2HB CYS 58 5.089 -6.774 1.909 32 2HB CYS 58 3HB CYS 58 6.706 -7.090 2.507 33 HA PRO 59 HA PRO 59 9.632 -2.768 2.593 34 1HB PRO 59 2HB PRO 59 8.761 -0.242 3.167 35 2HB PRO 59 3HB PRO 59 9.256 -0.743 1.562 36 1HG PRO 59 2HG PRO 59 6.527 -0.291 2.603 37 2HG PRO 59 3HG PRO 59 7.067 -0.372 0.938 38 1HD PRO 59 2HD PRO 59 5.676 -2.416 2.392 39 2HD PRO 59 3HD PRO 59 6.319 -2.539 0.766 40 H ARG 60 HN ARG 60 7.089 -3.735 4.337 41 HA ARG 60 HA ARG 60 7.950 -2.502 6.771 42 1HB ARG 60 2HB ARG 60 5.894 -4.737 6.430 43 2HB ARG 60 3HB ARG 60 6.035 -3.634 7.785 44 1HG ARG 60 2HG ARG 60 5.569 -2.551 4.988 45 2HG ARG 60 3HG ARG 60 4.223 -3.170 5.925 46 1HD ARG 60 2HD ARG 60 4.229 -1.376 7.363 47 2HD ARG 60 3HD ARG 60 5.978 -1.330 7.461 48 HE ARG 60 HE ARG 60 5.268 -0.481 4.843 49 1HH1 ARG 60 1HH1 ARG 60 5.006 2.933 5.516 50 2HH1 ARG 60 2HH1 ARG 60 5.192 1.733 4.281 51 1HH2 ARG 60 1HH2 ARG 60 4.833 2.293 7.740 52 2HH2 ARG 60 2HH2 ARG 60 4.891 0.615 8.166 53 H CYS 61 HN CYS 61 7.385 -5.940 5.682 54 HA CYS 61 HA CYS 61 9.275 -6.827 7.679 55 1HB CYS 61 2HB CYS 61 8.518 -9.066 7.153 56 2HB CYS 61 3HB CYS 61 7.130 -8.025 7.401 57 H LYS 62 HN LYS 62 8.816 -6.565 4.120 58 HA LYS 62 HA LYS 62 10.250 -6.625 2.442 59 1HB LYS 62 2HB LYS 62 11.633 -5.286 4.251 60 2HB LYS 62 3HB LYS 62 12.640 -6.720 4.253 61 1HG LYS 62 2HG LYS 62 12.957 -6.544 1.802 62 2HG LYS 62 3HG LYS 62 11.868 -5.173 1.734 63 1HD LYS 62 2HD LYS 62 13.625 -3.799 2.128 64 2HD LYS 62 3HD LYS 62 13.784 -4.502 3.725 65 1HE LYS 62 2HE LYS 62 15.902 -4.972 2.871 66 2HE LYS 62 3HE LYS 62 15.067 -6.446 2.424 67 1HZ LYS 62 1HZ LYS 62 14.689 -5.541 0.256 68 2HZ LYS 62 2HZ LYS 62 15.366 -4.112 0.663 69 3HZ LYS 62 3HZ LYS 62 16.286 -5.459 0.590 70 H LYS 63 HN LYS 63 9.027 -8.982 3.163 71 HA LYS 63 HA LYS 63 11.102 -10.884 2.413 72 1HB LYS 63 2HB LYS 63 9.397 -11.036 4.889 73 2HB LYS 63 3HB LYS 63 9.916 -12.504 4.086 74 1HG LYS 63 2HG LYS 63 12.259 -10.959 4.167 75 2HG LYS 63 3HG LYS 63 11.489 -10.597 5.699 76 1HD LYS 63 2HD LYS 63 11.408 -13.479 5.005 77 2HD LYS 63 3HD LYS 63 13.037 -12.853 5.161 78 1HE LYS 63 2HE LYS 63 12.239 -11.787 7.398 79 2HE LYS 63 3HE LYS 63 10.820 -12.804 7.249 80 1HZ LYS 63 1HZ LYS 63 12.916 -14.464 6.778 81 2HZ LYS 63 2HZ LYS 63 13.439 -13.522 8.005 82 3HZ LYS 63 3HZ LYS 63 12.052 -14.370 8.161 83 H GLY 64 HN GLY 64 8.612 -9.308 1.338 84 1HA GLY 64 1HA GLY 64 7.777 -11.121 -0.550 85 2HA GLY 64 2HA GLY 64 6.657 -11.316 0.783 86 H TYR 65 HN TYR 65 6.220 -10.193 -1.973 87 HA TYR 65 HA TYR 65 5.863 -7.369 -1.585 88 1HB TYR 65 2HB TYR 65 5.050 -9.485 -3.670 89 2HB TYR 65 3HB TYR 65 4.702 -7.782 -3.892 90 HD1 TYR 65 HD1 TYR 65 6.383 -6.259 -4.655 91 HD2 TYR 65 HD2 TYR 65 7.444 -10.267 -3.602 92 HE1 TYR 65 HE1 TYR 65 8.677 -5.935 -5.703 93 HE2 TYR 65 HE2 TYR 65 9.734 -9.930 -4.653 94 HH TYR 65 HH TYR 65 11.068 -8.567 -5.654 95 H HIS 66 HN HIS 66 4.110 -6.369 -0.728 96 HA HIS 66 HA HIS 66 1.511 -7.065 -1.216 97 1HB HIS 66 2HB HIS 66 0.851 -8.004 1.036 98 2HB HIS 66 3HB HIS 66 1.673 -9.100 -0.056 99 HD1 HIS 66 HD1 HIS 66 3.698 -10.289 0.850 100 HD2 HIS 66 HD2 HIS 66 2.672 -6.914 3.121 101 HE1 HIS 66 HE1 HIS 66 5.229 -10.308 2.891 102 H TRP 67 HN TRP 67 -0.012 -5.954 0.531 103 HA TRP 67 HA TRP 67 1.086 -3.333 0.891 104 1HB TRP 67 2HB TRP 67 -1.605 -4.597 1.337 105 2HB TRP 67 3HB TRP 67 -1.253 -2.988 1.934 106 HD1 TRP 67 HD1 TRP 67 -1.534 -4.887 -1.436 107 HE1 TRP 67 HE1 TRP 67 -2.003 -3.215 -3.423 108 HE3 TRP 67 HE3 TRP 67 -1.005 -0.643 1.316 109 HZ2 TRP 67 HZ2 TRP 67 -2.097 -0.369 -3.617 110 HZ3 TRP 67 HZ3 TRP 67 -1.301 1.540 0.151 111 HH2 TRP 67 HH2 TRP 67 -1.829 1.720 -2.229 112 H LYS 68 HN LYS 68 1.384 -2.261 2.941 113 HA LYS 68 HA LYS 68 2.613 -3.748 4.889 114 1HB LYS 68 2HB LYS 68 2.449 -1.727 6.273 115 2HB LYS 68 3HB LYS 68 2.942 -1.361 4.632 116 1HG LYS 68 2HG LYS 68 0.542 -0.790 4.076 117 2HG LYS 68 3HG LYS 68 0.114 -1.072 5.752 118 1HD LYS 68 2HD LYS 68 0.927 0.953 6.414 119 2HD LYS 68 3HD LYS 68 2.422 0.738 5.526 120 1HE LYS 68 2HE LYS 68 1.689 2.016 3.785 121 2HE LYS 68 3HE LYS 68 0.164 1.157 3.694 122 1HZ LYS 68 1HZ LYS 68 -0.192 3.421 4.303 123 2HZ LYS 68 2HZ LYS 68 -0.597 2.479 5.573 124 3HZ LYS 68 3HZ LYS 68 0.809 3.309 5.588 125 H SER 69 HN SER 69 -0.804 -2.541 4.792 126 HA SER 69 HA SER 69 -1.449 -3.717 7.243 127 1HB SER 69 2HB SER 69 -3.777 -3.203 6.630 128 2HB SER 69 3HB SER 69 -2.733 -1.850 6.244 129 HG SER 69 HG SER 69 -4.250 -2.370 4.518 130 H GLU 70 HN GLU 70 -1.086 -4.940 3.982 131 HA GLU 70 HA GLU 70 -2.758 -7.217 4.487 132 1HB GLU 70 2HB GLU 70 -1.056 -6.345 2.122 133 2HB GLU 70 3HB GLU 70 -1.864 -7.899 2.162 134 1HG GLU 70 2HG GLU 70 -3.393 -5.321 2.682 135 2HG GLU 70 3HG GLU 70 -3.112 -5.891 1.050 136 H CYS 71 HN CYS 71 0.343 -6.255 5.369 137 HA CYS 71 HA CYS 71 1.943 -8.413 4.814 138 1HB CYS 71 2HB CYS 71 2.790 -6.323 5.762 139 2HB CYS 71 3HB CYS 71 1.948 -6.626 7.269 140 H LYS 72 HN LYS 72 1.659 -10.557 5.316 141 HA LYS 72 HA LYS 72 0.066 -11.151 7.711 142 1HB LYS 72 2HB LYS 72 -0.414 -11.897 5.098 143 2HB LYS 72 3HB LYS 72 0.418 -13.301 5.734 144 1HG LYS 72 2HG LYS 72 -1.534 -13.929 6.703 145 2HG LYS 72 3HG LYS 72 -1.360 -12.575 7.801 146 1HD LYS 72 2HD LYS 72 -2.351 -11.437 5.397 147 2HD LYS 72 3HD LYS 72 -3.248 -12.930 5.588 148 1HE LYS 72 2HE LYS 72 -3.652 -12.203 8.045 149 2HE LYS 72 3HE LYS 72 -3.036 -10.630 7.578 150 1HZ LYS 72 1HZ LYS 72 -4.738 -10.630 5.815 151 2HZ LYS 72 2HZ LYS 72 -5.364 -12.005 6.435 152 3HZ LYS 72 3HZ LYS 72 -5.366 -10.634 7.322 153 H SER 73 HN SER 73 3.134 -10.625 7.052 154 HA SER 73 HA SER 73 4.326 -13.107 7.639 155 1HB SER 73 2HB SER 73 5.179 -10.331 7.130 156 2HB SER 73 3HB SER 73 6.180 -11.123 8.331 157 HG SER 73 HG SER 73 6.341 -12.953 6.740 158 H LYS 74 HN LYS 74 5.446 -13.715 9.643 159 HA LYS 74 HA LYS 74 3.945 -13.015 11.945 160 1HB LYS 74 2HB LYS 74 5.032 -15.262 11.357 161 2HB LYS 74 3HB LYS 74 6.545 -14.555 11.886 162 1HG LYS 74 2HG LYS 74 5.622 -15.679 13.806 163 2HG LYS 74 3HG LYS 74 5.410 -13.963 14.095 164 1HD LYS 74 2HD LYS 74 3.128 -15.101 12.625 165 2HD LYS 74 3HD LYS 74 3.394 -15.935 14.143 166 1HE LYS 74 2HE LYS 74 3.626 -13.459 15.118 167 2HE LYS 74 3HE LYS 74 2.738 -13.018 13.673 168 1HZ LYS 74 1HZ LYS 74 0.902 -14.007 14.432 169 2HZ LYS 74 2HZ LYS 74 1.684 -15.265 15.117 170 3HZ LYS 74 3HZ LYS 74 1.593 -13.836 15.902 171 H PHE 75 HN PHE 75 7.235 -12.234 10.689 172 HA PHE 75 HA PHE 75 7.308 -10.093 12.695 173 1HB PHE 75 2HB PHE 75 9.343 -12.155 11.739 174 2HB PHE 75 3HB PHE 75 9.932 -10.601 12.294 175 HD1 PHE 75 HD1 PHE 75 10.494 -10.398 14.520 176 HD2 PHE 75 HD2 PHE 75 7.614 -13.310 13.412 177 HE1 PHE 75 HE1 PHE 75 10.405 -11.212 16.893 178 HE2 PHE 75 HE2 PHE 75 7.524 -14.124 15.785 179 HZ PHE 75 HZ PHE 75 8.921 -13.066 17.497 180 H ASP 76 HN ASP 76 8.967 -8.331 12.030 181 HA ASP 76 HA ASP 76 9.087 -8.132 9.138 182 1HB ASP 76 2HB ASP 76 8.156 -5.947 9.093 183 2HB ASP 76 3HB ASP 76 7.097 -6.838 10.169 184 H LYS 77 HN LYS 77 10.365 -5.705 8.841 185 HA LYS 77 HA LYS 77 12.943 -6.079 9.370 186 1HB LYS 77 2HB LYS 77 13.284 -3.739 9.019 187 2HB LYS 77 3HB LYS 77 11.937 -4.244 8.018 188 1HG LYS 77 2HG LYS 77 10.317 -3.316 9.593 189 2HG LYS 77 3HG LYS 77 11.565 -3.016 10.786 190 1HD LYS 77 2HD LYS 77 12.193 -1.754 8.196 191 2HD LYS 77 3HD LYS 77 10.658 -1.203 8.837 192 1HE LYS 77 2HE LYS 77 12.091 0.290 9.908 193 2HE LYS 77 3HE LYS 77 12.029 -0.977 11.117 194 1HZ LYS 77 1HZ LYS 77 14.279 -0.316 10.607 195 2HZ LYS 77 2HZ LYS 77 14.047 -1.882 10.209 196 3HZ LYS 77 3HZ LYS 77 14.097 -0.741 9.041 197 H ASP 78 HN ASP 78 14.498 -5.412 10.983 198 HA ASP 78 HA ASP 78 15.252 -5.210 13.005 199 1HB ASP 78 2HB ASP 78 14.241 -3.075 13.278 200 2HB ASP 78 3HB ASP 78 12.621 -3.741 13.313 201 H GLY 79 HN GLY 79 13.068 -7.357 12.092 202 1HA GLY 79 1HA GLY 79 12.144 -9.217 12.946 203 2HA GLY 79 2HA GLY 79 13.267 -9.064 14.283 204 H ASN 80 HN ASN 80 10.631 -6.799 13.263 205 HA ASN 80 HA ASN 80 9.724 -6.755 15.967 206 1HB ASN 80 2HB ASN 80 9.073 -5.268 13.411 207 2HB ASN 80 3HB ASN 80 7.890 -5.226 14.704 208 1HD2 ASN 80 1HD2 ASN 80 10.689 -3.891 13.445 209 2HD2 ASN 80 2HD2 ASN 80 11.205 -2.925 14.787 210 HA PRO 81 HA PRO 81 6.461 -9.599 15.240 211 1HB PRO 81 2HB PRO 81 4.769 -8.994 17.299 212 2HB PRO 81 3HB PRO 81 6.194 -9.996 17.493 213 1HG PRO 81 2HG PRO 81 5.774 -7.189 18.322 214 2HG PRO 81 3HG PRO 81 6.993 -8.324 18.866 215 1HD PRO 81 2HD PRO 81 7.365 -6.160 17.020 216 2HD PRO 81 3HD PRO 81 8.553 -7.365 17.476 217 H LEU 82 HN LEU 82 5.481 -9.344 13.311 218 HA LEU 82 HA LEU 82 4.259 -7.152 12.397 219 1HB LEU 82 2HB LEU 82 4.233 -9.955 11.826 220 2HB LEU 82 3HB LEU 82 2.605 -9.333 11.646 221 HG LEU 82 HG LEU 82 3.455 -9.085 9.520 222 1HD1 LEU 82 1HD1 LEU 82 3.058 -6.919 9.172 223 2HD1 LEU 82 2HD1 LEU 82 2.947 -6.770 10.942 224 3HD1 LEU 82 3HD1 LEU 82 4.482 -6.415 10.113 225 1HD2 LEU 82 1HD2 LEU 82 6.088 -8.455 10.841 226 2HD2 LEU 82 2HD2 LEU 82 5.680 -9.761 9.703 227 3HD2 LEU 82 3HD2 LEU 82 5.794 -8.081 9.125 228 HA PRO 83 HA PRO 83 1.129 -6.714 15.489 229 1HB PRO 83 2HB PRO 83 0.831 -4.009 15.235 230 2HB PRO 83 3HB PRO 83 1.981 -4.747 16.331 231 1HG PRO 83 2HG PRO 83 2.482 -3.413 13.741 232 2HG PRO 83 3HG PRO 83 3.615 -3.770 15.029 233 1HD PRO 83 2HD PRO 83 3.333 -5.187 12.551 234 2HD PRO 83 3HD PRO 83 4.384 -5.612 13.888 235 HA PRO 84 HA PRO 84 -2.358 -6.710 13.074 236 1HB PRO 84 2HB PRO 84 -4.335 -6.152 14.876 237 2HB PRO 84 3HB PRO 84 -3.625 -7.744 14.695 238 1HG PRO 84 2HG PRO 84 -3.191 -5.754 16.838 239 2HG PRO 84 3HG PRO 84 -2.844 -7.472 16.847 240 1HD PRO 84 2HD PRO 84 -0.951 -5.339 16.531 241 2HD PRO 84 3HD PRO 84 -0.622 -7.057 16.425 Start of MODEL 13 1 HA PRO 54 HA PRO 54 1.690 0.628 -1.902 2 1HB PRO 54 2HB PRO 54 4.263 -0.141 -1.396 3 2HB PRO 54 3HB PRO 54 3.677 1.486 -1.116 4 1HG PRO 54 2HG PRO 54 4.253 -0.640 0.854 5 2HG PRO 54 3HG PRO 54 4.083 1.084 1.118 6 1HD PRO 54 2HD PRO 54 2.147 -0.944 1.722 7 2HD PRO 54 3HD PRO 54 1.934 0.789 1.877 8 HA PRO 55 HA PRO 55 1.070 -3.623 -2.815 9 1HB PRO 55 2HB PRO 55 -0.701 -3.293 -4.870 10 2HB PRO 55 3HB PRO 55 -1.197 -3.521 -3.205 11 1HG PRO 55 2HG PRO 55 -1.192 -1.041 -4.813 12 2HG PRO 55 3HG PRO 55 -2.058 -1.385 -3.329 13 1HD PRO 55 2HD PRO 55 0.316 0.201 -3.602 14 2HD PRO 55 3HD PRO 55 -0.484 -0.239 -2.107 15 H GLY 56 HN GLY 56 1.267 -4.922 -4.941 16 1HA GLY 56 1HA GLY 56 2.171 -4.273 -7.266 17 2HA GLY 56 2HA GLY 56 3.529 -3.664 -6.341 18 H LEU 57 HN LEU 57 4.664 -5.362 -7.757 19 HA LEU 57 HA LEU 57 4.244 -8.049 -7.574 20 1HB LEU 57 2HB LEU 57 5.877 -6.710 -8.994 21 2HB LEU 57 3HB LEU 57 6.971 -6.770 -7.627 22 HG LEU 57 HG LEU 57 7.334 -9.058 -7.826 23 1HD1 LEU 57 1HD1 LEU 57 5.888 -10.523 -9.324 24 2HD1 LEU 57 2HD1 LEU 57 5.159 -9.960 -7.801 25 3HD1 LEU 57 3HD1 LEU 57 4.723 -9.177 -9.339 26 1HD2 LEU 57 1HD2 LEU 57 7.963 -9.464 -10.124 27 2HD2 LEU 57 2HD2 LEU 57 6.871 -8.176 -10.688 28 3HD2 LEU 57 3HD2 LEU 57 8.296 -7.766 -9.705 29 H CYS 58 HN CYS 58 3.928 -9.288 -5.807 30 HA CYS 58 HA CYS 58 4.420 -8.631 -3.253 31 1HB CYS 58 2HB CYS 58 3.126 -10.605 -3.972 32 2HB CYS 58 3HB CYS 58 4.605 -11.424 -4.432 33 HA PRO 59 HA PRO 59 8.862 -8.605 -3.482 34 1HB PRO 59 2HB PRO 59 9.280 -6.972 -1.331 35 2HB PRO 59 3HB PRO 59 9.043 -6.370 -2.959 36 1HG PRO 59 2HG PRO 59 7.153 -6.360 -0.687 37 2HG PRO 59 3HG PRO 59 7.106 -5.409 -2.157 38 1HD PRO 59 2HD PRO 59 5.504 -7.709 -1.550 39 2HD PRO 59 3HD PRO 59 5.541 -6.827 -3.064 40 H ARG 60 HN ARG 60 6.776 -10.152 -1.566 41 HA ARG 60 HA ARG 60 8.745 -10.925 0.370 42 1HB ARG 60 2HB ARG 60 5.827 -11.014 0.131 43 2HB ARG 60 3HB ARG 60 6.438 -12.588 0.599 44 1HG ARG 60 2HG ARG 60 7.817 -10.480 2.088 45 2HG ARG 60 3HG ARG 60 6.082 -10.318 2.272 46 1HD ARG 60 2HD ARG 60 5.848 -12.511 3.199 47 2HD ARG 60 3HD ARG 60 7.405 -13.036 2.590 48 HE ARG 60 HE ARG 60 7.669 -10.790 4.424 49 1HH1 ARG 60 1HH1 ARG 60 8.732 -12.779 7.088 50 2HH1 ARG 60 2HH1 ARG 60 8.600 -11.163 6.478 51 1HH2 ARG 60 1HH2 ARG 60 7.964 -14.565 5.820 52 2HH2 ARG 60 2HH2 ARG 60 7.259 -14.282 4.263 53 H CYS 61 HN CYS 61 6.507 -12.654 -1.938 54 HA CYS 61 HA CYS 61 8.327 -14.905 -1.920 55 1HB CYS 61 2HB CYS 61 6.580 -16.129 -3.037 56 2HB CYS 61 3HB CYS 61 5.881 -15.275 -1.676 57 H LYS 62 HN LYS 62 6.940 -12.366 -4.075 58 HA LYS 62 HA LYS 62 7.690 -11.487 -5.961 59 1HB LYS 62 2HB LYS 62 10.001 -12.078 -4.700 60 2HB LYS 62 3HB LYS 62 10.186 -13.101 -6.110 61 1HG LYS 62 2HG LYS 62 10.034 -11.254 -7.624 62 2HG LYS 62 3HG LYS 62 9.325 -10.203 -6.415 63 1HD LYS 62 2HD LYS 62 11.378 -9.813 -5.337 64 2HD LYS 62 3HD LYS 62 12.073 -11.329 -5.874 65 1HE LYS 62 2HE LYS 62 13.164 -10.045 -7.422 66 2HE LYS 62 3HE LYS 62 11.648 -10.089 -8.299 67 1HZ LYS 62 1HZ LYS 62 12.746 -7.956 -6.671 68 2HZ LYS 62 2HZ LYS 62 11.991 -7.874 -8.117 69 3HZ LYS 62 3HZ LYS 62 11.120 -8.092 -6.752 70 H LYS 63 HN LYS 63 5.788 -13.435 -6.105 71 HA LYS 63 HA LYS 63 6.474 -14.660 -8.651 72 1HB LYS 63 2HB LYS 63 5.607 -16.191 -6.195 73 2HB LYS 63 3HB LYS 63 5.323 -16.802 -7.812 74 1HG LYS 63 2HG LYS 63 7.952 -16.127 -8.066 75 2HG LYS 63 3HG LYS 63 7.915 -16.442 -6.343 76 1HD LYS 63 2HD LYS 63 6.654 -18.658 -7.002 77 2HD LYS 63 3HD LYS 63 7.263 -18.348 -8.615 78 1HE LYS 63 2HE LYS 63 9.522 -18.608 -7.967 79 2HE LYS 63 3HE LYS 63 9.193 -18.234 -6.287 80 1HZ LYS 63 1HZ LYS 63 8.952 -20.375 -5.923 81 2HZ LYS 63 2HZ LYS 63 7.715 -20.477 -6.984 82 3HZ LYS 63 3HZ LYS 63 9.248 -20.723 -7.490 83 H GLY 64 HN GLY 64 4.782 -12.398 -7.342 84 1HA GLY 64 1HA GLY 64 2.703 -12.332 -9.117 85 2HA GLY 64 2HA GLY 64 2.060 -13.203 -7.740 86 H TYR 65 HN TYR 65 1.435 -10.445 -8.832 87 HA TYR 65 HA TYR 65 2.486 -8.617 -6.889 88 1HB TYR 65 2HB TYR 65 0.246 -8.618 -9.003 89 2HB TYR 65 3HB TYR 65 0.660 -7.183 -8.088 90 HD1 TYR 65 HD1 TYR 65 1.969 -9.632 -10.560 91 HD2 TYR 65 HD2 TYR 65 2.512 -5.815 -8.705 92 HE1 TYR 65 HE1 TYR 65 3.753 -9.044 -12.274 93 HE2 TYR 65 HE2 TYR 65 4.293 -5.240 -10.426 94 HH TYR 65 HH TYR 65 5.915 -6.646 -11.874 95 H HIS 66 HN HIS 66 1.703 -8.223 -4.880 96 HA HIS 66 HA HIS 66 -0.946 -7.982 -4.250 97 1HB HIS 66 2HB HIS 66 -1.289 -10.089 -2.890 98 2HB HIS 66 3HB HIS 66 -1.413 -10.250 -4.630 99 HD1 HIS 66 HD1 HIS 66 -0.067 -12.097 -5.657 100 HD2 HIS 66 HD2 HIS 66 1.410 -10.957 -1.901 101 HE1 HIS 66 HE1 HIS 66 1.816 -13.729 -5.104 102 H TRP 67 HN TRP 67 -1.257 -7.999 -1.748 103 HA TRP 67 HA TRP 67 0.959 -6.585 -0.661 104 1HB TRP 67 2HB TRP 67 -1.770 -7.371 0.301 105 2HB TRP 67 3HB TRP 67 -0.584 -6.762 1.439 106 HD1 TRP 67 HD1 TRP 67 -2.492 -5.584 -1.733 107 HE1 TRP 67 HE1 TRP 67 -2.642 -2.950 -1.813 108 HE3 TRP 67 HE3 TRP 67 0.482 -4.767 2.311 109 HZ2 TRP 67 HZ2 TRP 67 -1.525 -0.868 -0.213 110 HZ3 TRP 67 HZ3 TRP 67 0.902 -2.404 2.985 111 HH2 TRP 67 HH2 TRP 67 -0.047 -0.491 1.796 112 H LYS 68 HN LYS 68 2.319 -7.247 1.103 113 HA LYS 68 HA LYS 68 3.246 -9.822 1.009 114 1HB LYS 68 2HB LYS 68 4.727 -8.332 1.940 115 2HB LYS 68 3HB LYS 68 3.509 -7.538 2.917 116 1HG LYS 68 2HG LYS 68 4.234 -10.430 3.474 117 2HG LYS 68 3HG LYS 68 5.268 -9.145 4.067 118 1HD LYS 68 2HD LYS 68 2.555 -8.402 4.675 119 2HD LYS 68 3HD LYS 68 2.750 -10.077 5.151 120 1HE LYS 68 2HE LYS 68 4.995 -9.267 6.265 121 2HE LYS 68 3HE LYS 68 4.320 -7.657 6.106 122 1HZ LYS 68 1HZ LYS 68 3.343 -9.884 7.701 123 2HZ LYS 68 2HZ LYS 68 3.554 -8.322 8.129 124 3HZ LYS 68 3HZ LYS 68 2.283 -8.748 7.197 125 H SER 69 HN SER 69 0.876 -8.361 3.327 126 HA SER 69 HA SER 69 0.540 -10.731 4.754 127 1HB SER 69 2HB SER 69 -0.059 -8.455 5.594 128 2HB SER 69 3HB SER 69 -1.368 -8.372 4.432 129 HG SER 69 HG SER 69 -2.223 -10.375 5.484 130 H GLU 70 HN GLU 70 -0.735 -9.517 1.699 131 HA GLU 70 HA GLU 70 -2.935 -11.352 1.722 132 1HB GLU 70 2HB GLU 70 -1.888 -9.288 -0.236 133 2HB GLU 70 3HB GLU 70 -3.103 -10.446 -0.740 134 1HG GLU 70 2HG GLU 70 -3.677 -9.133 1.871 135 2HG GLU 70 3HG GLU 70 -3.643 -8.034 0.506 136 H CYS 71 HN CYS 71 0.394 -11.571 1.186 137 HA CYS 71 HA CYS 71 0.681 -13.006 -1.114 138 1HB CYS 71 2HB CYS 71 2.587 -12.246 0.177 139 2HB CYS 71 3HB CYS 71 2.163 -13.291 1.518 140 H LYS 72 HN LYS 72 -0.486 -14.784 -1.762 141 HA LYS 72 HA LYS 72 -1.336 -16.652 0.331 142 1HB LYS 72 2HB LYS 72 -2.622 -15.531 -2.039 143 2HB LYS 72 3HB LYS 72 -2.693 -17.281 -2.023 144 1HG LYS 72 2HG LYS 72 -3.967 -17.362 -0.068 145 2HG LYS 72 3HG LYS 72 -3.292 -15.875 0.567 146 1HD LYS 72 2HD LYS 72 -4.903 -15.622 -1.951 147 2HD LYS 72 3HD LYS 72 -5.796 -16.044 -0.504 148 1HE LYS 72 2HE LYS 72 -4.035 -13.978 0.318 149 2HE LYS 72 3HE LYS 72 -4.608 -13.472 -1.258 150 1HZ LYS 72 1HZ LYS 72 -6.666 -14.537 0.395 151 2HZ LYS 72 2HZ LYS 72 -5.964 -13.209 1.034 152 3HZ LYS 72 3HZ LYS 72 -6.632 -13.144 -0.455 153 H SER 73 HN SER 73 1.350 -16.270 -1.269 154 HA SER 73 HA SER 73 1.487 -18.593 -2.856 155 1HB SER 73 2HB SER 73 3.139 -16.321 -2.259 156 2HB SER 73 3HB SER 73 4.096 -17.753 -1.936 157 HG SER 73 HG SER 73 2.831 -16.959 -4.399 158 H LYS 74 HN LYS 74 2.737 -20.563 -2.389 159 HA LYS 74 HA LYS 74 2.297 -21.490 0.246 160 1HB LYS 74 2HB LYS 74 2.700 -22.613 -2.278 161 2HB LYS 74 3HB LYS 74 4.114 -23.106 -1.367 162 1HG LYS 74 2HG LYS 74 2.521 -24.800 -0.888 163 2HG LYS 74 3HG LYS 74 2.468 -23.771 0.530 164 1HD LYS 74 2HD LYS 74 0.303 -23.171 0.145 165 2HD LYS 74 3HD LYS 74 0.615 -22.819 -1.544 166 1HE LYS 74 2HE LYS 74 0.585 -25.339 -1.988 167 2HE LYS 74 3HE LYS 74 0.065 -25.568 -0.331 168 1HZ LYS 74 1HZ LYS 74 -1.916 -24.494 -0.749 169 2HZ LYS 74 2HZ LYS 74 -1.384 -23.751 -2.102 170 3HZ LYS 74 3HZ LYS 74 -1.691 -25.354 -2.118 171 H PHE 75 HN PHE 75 5.223 -20.508 -1.636 172 HA PHE 75 HA PHE 75 6.602 -20.307 0.947 173 1HB PHE 75 2HB PHE 75 7.480 -21.331 -1.810 174 2HB PHE 75 3HB PHE 75 8.663 -20.862 -0.605 175 HD1 PHE 75 HD1 PHE 75 9.026 -22.217 1.377 176 HD2 PHE 75 HD2 PHE 75 6.131 -23.340 -1.515 177 HE1 PHE 75 HE1 PHE 75 8.911 -24.513 2.384 178 HE2 PHE 75 HE2 PHE 75 6.016 -25.637 -0.509 179 HZ PHE 75 HZ PHE 75 7.408 -26.196 1.429 180 H ASP 76 HN ASP 76 8.612 -18.820 0.750 181 HA ASP 76 HA ASP 76 8.077 -16.731 -1.199 182 1HB ASP 76 2HB ASP 76 8.656 -15.049 0.620 183 2HB ASP 76 3HB ASP 76 7.119 -15.863 0.834 184 H LYS 77 HN LYS 77 10.147 -14.985 -0.665 185 HA LYS 77 HA LYS 77 12.354 -15.997 -1.751 186 1HB LYS 77 2HB LYS 77 11.791 -13.596 -0.999 187 2HB LYS 77 3HB LYS 77 12.551 -14.018 0.522 188 1HG LYS 77 2HG LYS 77 14.310 -14.944 -1.540 189 2HG LYS 77 3HG LYS 77 13.806 -13.333 -2.008 190 1HD LYS 77 2HD LYS 77 15.401 -12.570 -0.574 191 2HD LYS 77 3HD LYS 77 14.299 -13.014 0.715 192 1HE LYS 77 2HE LYS 77 15.707 -14.646 1.425 193 2HE LYS 77 3HE LYS 77 15.696 -15.401 -0.157 194 1HZ LYS 77 1HZ LYS 77 17.656 -14.522 -0.616 195 2HZ LYS 77 2HZ LYS 77 17.247 -13.027 -0.104 196 3HZ LYS 77 3HZ LYS 77 17.790 -14.135 0.965 197 H ASP 78 HN ASP 78 14.410 -16.845 -1.024 198 HA ASP 78 HA ASP 78 15.679 -18.189 0.108 199 1HB ASP 78 2HB ASP 78 15.770 -16.714 1.970 200 2HB ASP 78 3HB ASP 78 14.089 -16.983 2.386 201 H GLY 79 HN GLY 79 12.631 -18.783 -0.668 202 1HA GLY 79 1HA GLY 79 11.271 -20.570 -0.696 203 2HA GLY 79 2HA GLY 79 12.659 -21.536 -0.237 204 H ASN 80 HN ASN 80 11.044 -18.854 1.587 205 HA ASN 80 HA ASN 80 10.978 -20.560 3.877 206 1HB ASN 80 2HB ASN 80 10.388 -17.645 3.297 207 2HB ASN 80 3HB ASN 80 9.723 -18.342 4.761 208 1HD2 ASN 80 1HD2 ASN 80 12.383 -16.919 3.314 209 2HD2 ASN 80 2HD2 ASN 80 13.596 -17.235 4.510 210 HA PRO 81 HA PRO 81 6.742 -21.585 3.368 211 1HB PRO 81 2HB PRO 81 6.033 -22.242 5.924 212 2HB PRO 81 3HB PRO 81 6.898 -23.333 4.859 213 1HG PRO 81 2HG PRO 81 7.928 -21.780 7.154 214 2HG PRO 81 3HG PRO 81 8.643 -23.168 6.358 215 1HD PRO 81 2HD PRO 81 9.428 -20.425 6.061 216 2HD PRO 81 3HD PRO 81 10.065 -21.799 5.179 217 H LEU 82 HN LEU 82 5.501 -19.966 2.610 218 HA LEU 82 HA LEU 82 5.146 -17.557 3.711 219 1HB LEU 82 2HB LEU 82 3.810 -19.200 1.803 220 2HB LEU 82 3HB LEU 82 2.591 -18.410 2.783 221 HG LEU 82 HG LEU 82 2.858 -16.905 1.065 222 1HD1 LEU 82 1HD1 LEU 82 3.769 -16.116 3.550 223 2HD1 LEU 82 2HD1 LEU 82 5.027 -15.515 2.444 224 3HD1 LEU 82 3HD1 LEU 82 3.328 -15.044 2.199 225 1HD2 LEU 82 1HD2 LEU 82 4.970 -16.314 -0.014 226 2HD2 LEU 82 2HD2 LEU 82 5.852 -17.382 1.104 227 3HD2 LEU 82 3HD2 LEU 82 4.693 -18.071 -0.057 228 HA PRO 83 HA PRO 83 3.393 -18.773 7.582 229 1HB PRO 83 2HB PRO 83 4.213 -16.577 8.988 230 2HB PRO 83 3HB PRO 83 5.180 -18.030 8.830 231 1HG PRO 83 2HG PRO 83 5.521 -15.421 7.483 232 2HG PRO 83 3HG PRO 83 6.683 -16.718 7.673 233 1HD PRO 83 2HD PRO 83 5.207 -16.069 5.300 234 2HD PRO 83 3HD PRO 83 6.282 -17.435 5.525 235 HA PRO 84 HA PRO 84 -0.188 -16.504 6.803 236 1HB PRO 84 2HB PRO 84 -1.960 -18.229 7.966 237 2HB PRO 84 3HB PRO 84 -1.447 -18.364 6.296 238 1HG PRO 84 2HG PRO 84 -0.645 -20.006 8.620 239 2HG PRO 84 3HG PRO 84 -0.492 -20.371 6.913 240 1HD PRO 84 2HD PRO 84 1.600 -19.519 8.680 241 2HD PRO 84 3HD PRO 84 1.728 -19.771 6.951 Start of MODEL 14 1 HA PRO 54 HA PRO 54 1.690 0.628 -1.902 2 1HB PRO 54 2HB PRO 54 4.263 -0.141 -1.396 3 2HB PRO 54 3HB PRO 54 3.677 1.486 -1.116 4 1HG PRO 54 2HG PRO 54 4.253 -0.640 0.854 5 2HG PRO 54 3HG PRO 54 4.083 1.084 1.118 6 1HD PRO 54 2HD PRO 54 2.147 -0.944 1.722 7 2HD PRO 54 3HD PRO 54 1.934 0.789 1.877 8 HA PRO 55 HA PRO 55 1.079 -3.646 -2.768 9 1HB PRO 55 2HB PRO 55 -0.797 -3.356 -4.733 10 2HB PRO 55 3HB PRO 55 -1.206 -3.597 -3.046 11 1HG PRO 55 2HG PRO 55 -1.338 -1.116 -4.649 12 2HG PRO 55 3HG PRO 55 -2.122 -1.482 -3.125 13 1HD PRO 55 2HD PRO 55 0.198 0.160 -3.511 14 2HD PRO 55 3HD PRO 55 -0.517 -0.300 -1.978 15 H GLY 56 HN GLY 56 3.038 -4.205 -3.567 16 1HA GLY 56 1HA GLY 56 3.476 -3.313 -6.356 17 2HA GLY 56 2HA GLY 56 4.753 -3.516 -5.174 18 H LEU 57 HN LEU 57 2.450 -5.163 -7.316 19 HA LEU 57 HA LEU 57 2.728 -7.764 -6.523 20 1HB LEU 57 2HB LEU 57 1.237 -6.786 -8.293 21 2HB LEU 57 3HB LEU 57 2.612 -6.794 -9.379 22 HG LEU 57 HG LEU 57 2.747 -9.195 -9.330 23 1HD1 LEU 57 1HD1 LEU 57 0.589 -10.214 -7.980 24 2HD1 LEU 57 2HD1 LEU 57 2.265 -10.180 -7.380 25 3HD1 LEU 57 3HD1 LEU 57 1.122 -8.902 -6.902 26 1HD2 LEU 57 1HD2 LEU 57 1.104 -9.457 -10.817 27 2HD2 LEU 57 2HD2 LEU 57 -0.164 -9.107 -9.617 28 3HD2 LEU 57 3HD2 LEU 57 0.668 -7.771 -10.449 29 H CYS 58 HN CYS 58 4.227 -9.418 -6.802 30 HA CYS 58 HA CYS 58 6.874 -8.470 -7.521 31 1HB CYS 58 2HB CYS 58 6.610 -9.612 -5.360 32 2HB CYS 58 3HB CYS 58 5.996 -11.042 -6.167 33 HA PRO 59 HA PRO 59 6.084 -10.533 -11.359 34 1HB PRO 59 2HB PRO 59 8.152 -9.422 -12.758 35 2HB PRO 59 3HB PRO 59 6.576 -8.670 -12.619 36 1HG PRO 59 2HG PRO 59 9.099 -7.950 -11.257 37 2HG PRO 59 3HG PRO 59 7.652 -6.986 -11.467 38 1HD PRO 59 2HD PRO 59 8.484 -8.334 -9.076 39 2HD PRO 59 3HD PRO 59 6.982 -7.466 -9.321 40 H ARG 60 HN ARG 60 8.401 -10.986 -9.100 41 HA ARG 60 HA ARG 60 9.980 -12.738 -10.710 42 1HB ARG 60 2HB ARG 60 10.049 -12.427 -7.672 43 2HB ARG 60 3HB ARG 60 11.331 -13.039 -8.698 44 1HG ARG 60 2HG ARG 60 10.237 -10.212 -9.004 45 2HG ARG 60 3HG ARG 60 11.537 -10.585 -7.890 46 1HD ARG 60 2HD ARG 60 12.211 -11.823 -10.394 47 2HD ARG 60 3HD ARG 60 11.675 -10.196 -10.762 48 HE ARG 60 HE ARG 60 13.543 -10.349 -8.498 49 1HH1 ARG 60 1HH1 ARG 60 16.123 -8.873 -10.326 50 2HH1 ARG 60 2HH1 ARG 60 15.584 -9.354 -8.752 51 1HH2 ARG 60 1HH2 ARG 60 14.772 -9.240 -12.177 52 2HH2 ARG 60 2HH2 ARG 60 13.225 -9.995 -11.984 53 H CYS 61 HN CYS 61 8.134 -13.118 -7.584 54 HA CYS 61 HA CYS 61 7.903 -15.942 -8.098 55 1HB CYS 61 2HB CYS 61 6.904 -16.058 -5.868 56 2HB CYS 61 3HB CYS 61 8.425 -15.187 -5.830 57 H LYS 62 HN LYS 62 5.887 -12.955 -7.916 58 HA LYS 62 HA LYS 62 3.877 -12.477 -8.693 59 1HB LYS 62 2HB LYS 62 4.969 -13.879 -10.696 60 2HB LYS 62 3HB LYS 62 3.646 -14.966 -10.326 61 1HG LYS 62 2HG LYS 62 2.043 -13.492 -11.073 62 2HG LYS 62 3HG LYS 62 2.867 -12.094 -10.413 63 1HD LYS 62 2HD LYS 62 4.588 -12.992 -12.461 64 2HD LYS 62 3HD LYS 62 2.984 -13.212 -13.132 65 1HE LYS 62 2HE LYS 62 2.462 -10.916 -13.014 66 2HE LYS 62 3HE LYS 62 3.599 -10.613 -11.716 67 1HZ LYS 62 1HZ LYS 62 5.283 -11.335 -13.547 68 2HZ LYS 62 2HZ LYS 62 4.101 -10.838 -14.557 69 3HZ LYS 62 3HZ LYS 62 4.735 -9.799 -13.469 70 H LYS 63 HN LYS 63 4.094 -13.702 -6.173 71 HA LYS 63 HA LYS 63 1.511 -15.069 -6.101 72 1HB LYS 63 2HB LYS 63 4.057 -16.036 -4.771 73 2HB LYS 63 3HB LYS 63 2.457 -16.611 -4.351 74 1HG LYS 63 2HG LYS 63 2.086 -17.452 -6.621 75 2HG LYS 63 3HG LYS 63 3.563 -16.703 -7.194 76 1HD LYS 63 2HD LYS 63 4.948 -18.275 -6.134 77 2HD LYS 63 3HD LYS 63 3.771 -18.635 -4.886 78 1HE LYS 63 2HE LYS 63 3.743 -20.565 -6.280 79 2HE LYS 63 3HE LYS 63 2.314 -19.674 -6.764 80 1HZ LYS 63 1HZ LYS 63 4.583 -18.842 -8.220 81 2HZ LYS 63 2HZ LYS 63 4.349 -20.451 -8.380 82 3HZ LYS 63 3HZ LYS 63 3.153 -19.409 -8.771 83 H GLY 64 HN GLY 64 2.394 -12.263 -5.679 84 1HA GLY 64 1HA GLY 64 0.894 -11.494 -3.575 85 2HA GLY 64 2HA GLY 64 2.426 -11.875 -2.813 86 H TYR 65 HN TYR 65 1.998 -9.366 -2.416 87 HA TYR 65 HA TYR 65 3.246 -7.905 -4.645 88 1HB TYR 65 2HB TYR 65 1.275 -7.239 -2.386 89 2HB TYR 65 3HB TYR 65 2.112 -5.957 -3.238 90 HD1 TYR 65 HD1 TYR 65 1.400 -5.234 -5.402 91 HD2 TYR 65 HD2 TYR 65 -0.303 -8.748 -3.654 92 HE1 TYR 65 HE1 TYR 65 -0.395 -5.269 -7.202 93 HE2 TYR 65 HE2 TYR 65 -2.092 -8.771 -5.460 94 HH TYR 65 HH TYR 65 -2.824 -7.862 -7.275 95 H HIS 66 HN HIS 66 5.398 -7.660 -4.256 96 HA HIS 66 HA HIS 66 6.224 -6.218 -1.996 97 1HB HIS 66 2HB HIS 66 7.674 -7.946 -0.966 98 2HB HIS 66 3HB HIS 66 5.960 -8.239 -0.751 99 HD1 HIS 66 HD1 HIS 66 5.372 -10.638 -1.044 100 HD2 HIS 66 HD2 HIS 66 8.583 -9.506 -3.494 101 HE1 HIS 66 HE1 HIS 66 6.073 -12.735 -2.319 102 H TRP 67 HN TRP 67 8.704 -5.983 -2.013 103 HA TRP 67 HA TRP 67 9.483 -5.619 -4.742 104 1HB TRP 67 2HB TRP 67 10.801 -5.061 -2.088 105 2HB TRP 67 3HB TRP 67 11.620 -4.806 -3.616 106 HD1 TRP 67 HD1 TRP 67 8.755 -3.344 -1.503 107 HE1 TRP 67 HE1 TRP 67 8.048 -0.953 -2.366 108 HE3 TRP 67 HE3 TRP 67 11.598 -3.449 -5.717 109 HZ2 TRP 67 HZ2 TRP 67 8.741 0.592 -4.664 110 HZ3 TRP 67 HZ3 TRP 67 11.526 -1.459 -7.216 111 HH2 TRP 67 HH2 TRP 67 10.161 0.514 -6.747 112 H LYS 68 HN LYS 68 11.260 -6.685 -5.806 113 HA LYS 68 HA LYS 68 11.398 -9.390 -5.511 114 1HB LYS 68 2HB LYS 68 13.484 -9.225 -6.872 115 2HB LYS 68 3HB LYS 68 12.124 -8.334 -7.524 116 1HG LYS 68 2HG LYS 68 13.191 -6.347 -6.035 117 2HG LYS 68 3HG LYS 68 14.650 -7.291 -6.257 118 1HD LYS 68 2HD LYS 68 14.880 -6.469 -8.355 119 2HD LYS 68 3HD LYS 68 13.342 -7.175 -8.811 120 1HE LYS 68 2HE LYS 68 12.329 -5.053 -7.548 121 2HE LYS 68 3HE LYS 68 13.921 -4.373 -7.821 122 1HZ LYS 68 1HZ LYS 68 13.505 -5.218 -10.206 123 2HZ LYS 68 2HZ LYS 68 11.930 -5.177 -9.778 124 3HZ LYS 68 3HZ LYS 68 12.828 -3.815 -9.717 125 H SER 69 HN SER 69 13.672 -6.909 -4.159 126 HA SER 69 HA SER 69 15.272 -8.793 -2.891 127 1HB SER 69 2HB SER 69 16.161 -6.850 -1.624 128 2HB SER 69 3HB SER 69 16.033 -6.503 -3.337 129 HG SER 69 HG SER 69 13.891 -5.497 -2.806 130 H GLU 70 HN GLU 70 12.185 -7.264 -2.067 131 HA GLU 70 HA GLU 70 12.393 -8.014 0.686 132 1HB GLU 70 2HB GLU 70 10.263 -6.675 -1.009 133 2HB GLU 70 3HB GLU 70 9.896 -7.216 0.617 134 1HG GLU 70 2HG GLU 70 12.406 -5.596 0.240 135 2HG GLU 70 3HG GLU 70 10.879 -4.749 0.102 136 H CYS 71 HN CYS 71 11.668 -9.589 -2.243 137 HA CYS 71 HA CYS 71 9.480 -11.118 -1.733 138 1HB CYS 71 2HB CYS 71 10.742 -11.087 -3.867 139 2HB CYS 71 3HB CYS 71 12.026 -12.019 -3.122 140 H LYS 72 HN LYS 72 8.991 -12.487 -0.054 141 HA LYS 72 HA LYS 72 11.261 -13.660 1.392 142 1HB LYS 72 2HB LYS 72 9.778 -12.012 2.611 143 2HB LYS 72 3HB LYS 72 8.466 -13.162 2.449 144 1HG LYS 72 2HG LYS 72 10.515 -14.771 3.425 145 2HG LYS 72 3HG LYS 72 10.844 -13.248 4.226 146 1HD LYS 72 2HD LYS 72 7.974 -13.830 4.273 147 2HD LYS 72 3HD LYS 72 8.881 -15.171 4.943 148 1HE LYS 72 2HE LYS 72 8.661 -13.852 6.851 149 2HE LYS 72 3HE LYS 72 10.192 -13.249 6.250 150 1HZ LYS 72 1HZ LYS 72 8.346 -11.771 4.944 151 2HZ LYS 72 2HZ LYS 72 7.705 -11.915 6.439 152 3HZ LYS 72 3HZ LYS 72 9.202 -11.291 6.250 153 H SER 73 HN SER 73 9.427 -14.433 -1.114 154 HA SER 73 HA SER 73 8.147 -16.774 -0.214 155 1HB SER 73 2HB SER 73 8.432 -15.274 -2.692 156 2HB SER 73 3HB SER 73 8.660 -16.982 -3.009 157 HG SER 73 HG SER 73 6.502 -16.962 -3.057 158 H LYS 74 HN LYS 74 8.732 -19.019 -1.103 159 HA LYS 74 HA LYS 74 11.564 -19.423 -0.659 160 1HB LYS 74 2HB LYS 74 9.588 -20.750 0.390 161 2HB LYS 74 3HB LYS 74 9.523 -21.587 -1.148 162 1HG LYS 74 2HG LYS 74 11.130 -22.952 -0.280 163 2HG LYS 74 3HG LYS 74 12.242 -21.641 -0.620 164 1HD LYS 74 2HD LYS 74 10.945 -21.028 1.875 165 2HD LYS 74 3HD LYS 74 11.448 -22.705 1.951 166 1HE LYS 74 2HE LYS 74 13.749 -21.872 1.042 167 2HE LYS 74 3HE LYS 74 13.186 -20.260 1.435 168 1HZ LYS 74 1HZ LYS 74 14.404 -21.820 3.159 169 2HZ LYS 74 2HZ LYS 74 13.334 -20.674 3.615 170 3HZ LYS 74 3HZ LYS 74 12.862 -22.233 3.504 171 H PHE 75 HN PHE 75 9.064 -19.935 -3.213 172 HA PHE 75 HA PHE 75 11.296 -20.218 -5.099 173 1HB PHE 75 2HB PHE 75 8.585 -21.630 -4.829 174 2HB PHE 75 3HB PHE 75 9.454 -21.645 -6.351 175 HD1 PHE 75 HD1 PHE 75 9.513 -22.796 -2.860 176 HD2 PHE 75 HD2 PHE 75 11.399 -23.019 -6.655 177 HE1 PHE 75 HE1 PHE 75 10.832 -24.787 -2.088 178 HE2 PHE 75 HE2 PHE 75 12.717 -25.011 -5.883 179 HZ PHE 75 HZ PHE 75 12.418 -25.871 -3.608 180 H ASP 76 HN ASP 76 10.603 -19.673 -7.417 181 HA ASP 76 HA ASP 76 8.476 -17.694 -7.386 182 1HB ASP 76 2HB ASP 76 9.927 -16.240 -8.867 183 2HB ASP 76 3HB ASP 76 10.498 -16.378 -7.216 184 H LYS 77 HN LYS 77 8.465 -16.904 -10.028 185 HA LYS 77 HA LYS 77 7.247 -18.799 -11.436 186 1HB LYS 77 2HB LYS 77 7.482 -17.445 -13.294 187 2HB LYS 77 3HB LYS 77 7.766 -16.317 -11.984 188 1HG LYS 77 2HG LYS 77 10.321 -17.342 -12.446 189 2HG LYS 77 3HG LYS 77 9.639 -17.302 -14.060 190 1HD LYS 77 2HD LYS 77 9.260 -14.881 -12.294 191 2HD LYS 77 3HD LYS 77 10.842 -15.151 -12.997 192 1HE LYS 77 2HE LYS 77 8.494 -15.415 -14.852 193 2HE LYS 77 3HE LYS 77 8.862 -13.798 -14.286 194 1HZ LYS 77 1HZ LYS 77 10.614 -13.741 -15.600 195 2HZ LYS 77 2HZ LYS 77 11.209 -15.156 -15.044 196 3HZ LYS 77 3HZ LYS 77 10.135 -15.149 -16.274 197 H ASP 78 HN ASP 78 7.795 -20.364 -13.083 198 HA ASP 78 HA ASP 78 8.918 -22.023 -13.908 199 1HB ASP 78 2HB ASP 78 10.516 -20.584 -14.920 200 2HB ASP 78 3HB ASP 78 11.197 -20.100 -13.379 201 H GLY 79 HN GLY 79 8.659 -21.379 -10.789 202 1HA GLY 79 1HA GLY 79 9.085 -22.440 -8.856 203 2HA GLY 79 2HA GLY 79 9.482 -23.853 -9.814 204 H ASN 80 HN ASN 80 11.113 -20.621 -9.787 205 HA ASN 80 HA ASN 80 13.610 -21.963 -9.477 206 1HB ASN 80 2HB ASN 80 12.695 -19.118 -9.969 207 2HB ASN 80 3HB ASN 80 14.323 -19.362 -9.367 208 1HD2 ASN 80 1HD2 ASN 80 12.341 -19.256 -12.056 209 2HD2 ASN 80 2HD2 ASN 80 13.391 -19.948 -13.248 210 HA PRO 81 HA PRO 81 13.839 -21.224 -5.158 211 1HB PRO 81 2HB PRO 81 16.532 -21.402 -4.732 212 2HB PRO 81 3HB PRO 81 15.493 -22.803 -4.891 213 1HG PRO 81 2HG PRO 81 17.404 -21.683 -6.848 214 2HG PRO 81 3HG PRO 81 16.687 -23.281 -6.805 215 1HD PRO 81 2HD PRO 81 15.944 -21.112 -8.529 216 2HD PRO 81 3HD PRO 81 15.153 -22.670 -8.405 217 H LEU 82 HN LEU 82 13.059 -19.270 -4.577 218 HA LEU 82 HA LEU 82 13.918 -16.877 -5.387 219 1HB LEU 82 2HB LEU 82 12.437 -17.930 -3.176 220 2HB LEU 82 3HB LEU 82 13.452 -16.623 -2.600 221 HG LEU 82 HG LEU 82 11.515 -15.510 -3.152 222 1HD1 LEU 82 1HD1 LEU 82 12.287 -13.961 -4.563 223 2HD1 LEU 82 2HD1 LEU 82 13.721 -15.004 -4.722 224 3HD1 LEU 82 3HD1 LEU 82 12.403 -15.115 -5.914 225 1HD2 LEU 82 1HD2 LEU 82 11.232 -17.282 -5.594 226 2HD2 LEU 82 2HD2 LEU 82 10.297 -17.385 -4.083 227 3HD2 LEU 82 3HD2 LEU 82 10.126 -15.963 -5.140 228 HA PRO 83 HA PRO 83 18.107 -17.083 -3.985 229 1HB PRO 83 2HB PRO 83 19.133 -15.366 -5.846 230 2HB PRO 83 3HB PRO 83 19.008 -17.094 -6.104 231 1HG PRO 83 2HG PRO 83 17.344 -14.927 -7.232 232 2HG PRO 83 3HG PRO 83 17.517 -16.580 -7.787 233 1HD PRO 83 2HD PRO 83 15.311 -15.485 -6.317 234 2HD PRO 83 3HD PRO 83 15.539 -17.163 -6.772 235 HA PRO 84 HA PRO 84 18.356 -13.589 -1.594 236 1HB PRO 84 2HB PRO 84 21.030 -13.357 -1.078 237 2HB PRO 84 3HB PRO 84 19.984 -14.480 -0.231 238 1HG PRO 84 2HG PRO 84 21.979 -15.037 -2.340 239 2HG PRO 84 3HG PRO 84 21.246 -16.149 -1.201 240 1HD PRO 84 2HD PRO 84 20.589 -15.857 -3.978 241 2HD PRO 84 3HD PRO 84 19.780 -16.884 -2.812 Start of MODEL 15 1 HA PRO 54 HA PRO 54 1.690 0.628 -1.902 2 1HB PRO 54 2HB PRO 54 4.263 -0.141 -1.396 3 2HB PRO 54 3HB PRO 54 3.677 1.486 -1.116 4 1HG PRO 54 2HG PRO 54 4.253 -0.640 0.854 5 2HG PRO 54 3HG PRO 54 4.083 1.084 1.118 6 1HD PRO 54 2HD PRO 54 2.147 -0.944 1.722 7 2HD PRO 54 3HD PRO 54 1.934 0.789 1.877 8 HA PRO 55 HA PRO 55 1.087 -3.660 -2.738 9 1HB PRO 55 2HB PRO 55 -0.857 -3.399 -4.640 10 2HB PRO 55 3HB PRO 55 -1.206 -3.647 -2.941 11 1HG PRO 55 2HG PRO 55 -1.429 -1.168 -4.535 12 2HG PRO 55 3HG PRO 55 -2.157 -1.546 -2.987 13 1HD PRO 55 2HD PRO 55 0.123 0.132 -3.447 14 2HD PRO 55 3HD PRO 55 -0.535 -0.340 -1.893 15 H GLY 56 HN GLY 56 0.584 -4.565 -5.308 16 1HA GLY 56 1HA GLY 56 1.445 -4.523 -7.438 17 2HA GLY 56 2HA GLY 56 2.455 -3.151 -7.028 18 H LEU 57 HN LEU 57 2.038 -6.546 -5.771 19 HA LEU 57 HA LEU 57 4.764 -6.777 -5.103 20 1HB LEU 57 2HB LEU 57 2.766 -8.011 -4.144 21 2HB LEU 57 3HB LEU 57 2.804 -9.019 -5.577 22 HG LEU 57 HG LEU 57 4.746 -10.096 -4.960 23 1HD1 LEU 57 1HD1 LEU 57 6.293 -8.347 -4.747 24 2HD1 LEU 57 2HD1 LEU 57 5.425 -7.622 -3.373 25 3HD1 LEU 57 3HD1 LEU 57 6.302 -9.156 -3.162 26 1HD2 LEU 57 1HD2 LEU 57 3.852 -11.134 -3.219 27 2HD2 LEU 57 2HD2 LEU 57 4.396 -9.824 -2.144 28 3HD2 LEU 57 3HD2 LEU 57 2.795 -9.734 -2.917 29 H CYS 58 HN CYS 58 6.353 -6.624 -6.604 30 HA CYS 58 HA CYS 58 6.092 -6.994 -9.277 31 1HB CYS 58 2HB CYS 58 8.050 -5.959 -8.210 32 2HB CYS 58 3HB CYS 58 8.561 -7.515 -7.587 33 HA PRO 59 HA PRO 59 5.442 -11.385 -9.159 34 1HB PRO 59 2HB PRO 59 4.305 -11.605 -11.635 35 2HB PRO 59 3HB PRO 59 3.384 -11.263 -10.184 36 1HG PRO 59 2HG PRO 59 4.156 -9.424 -12.365 37 2HG PRO 59 3HG PRO 59 2.908 -9.224 -11.151 38 1HD PRO 59 2HD PRO 59 5.485 -7.964 -11.187 39 2HD PRO 59 3HD PRO 59 4.283 -7.856 -9.916 40 H ARG 60 HN ARG 60 7.643 -9.550 -10.668 41 HA ARG 60 HA ARG 60 8.567 -11.645 -12.391 42 1HB ARG 60 2HB ARG 60 8.934 -8.771 -12.165 43 2HB ARG 60 3HB ARG 60 10.511 -9.536 -12.152 44 1HG ARG 60 2HG ARG 60 8.463 -10.423 -14.199 45 2HG ARG 60 3HG ARG 60 9.328 -8.921 -14.457 46 1HD ARG 60 2HD ARG 60 11.402 -10.623 -13.749 47 2HD ARG 60 3HD ARG 60 10.327 -11.724 -14.588 48 HE ARG 60 HE ARG 60 10.475 -9.402 -16.191 49 1HH1 ARG 60 1HH1 ARG 60 13.289 -10.249 -18.074 50 2HH1 ARG 60 2HH1 ARG 60 11.884 -9.241 -17.984 51 1HH2 ARG 60 1HH2 ARG 60 13.741 -11.764 -16.375 52 2HH2 ARG 60 2HH2 ARG 60 12.673 -11.886 -15.017 53 H CYS 61 HN CYS 61 10.152 -9.561 -9.849 54 HA CYS 61 HA CYS 61 12.082 -11.624 -9.366 55 1HB CYS 61 2HB CYS 61 13.076 -10.026 -7.792 56 2HB CYS 61 3HB CYS 61 12.797 -9.292 -9.359 57 H LYS 62 HN LYS 62 9.110 -10.250 -7.926 58 HA LYS 62 HA LYS 62 7.855 -10.850 -6.212 59 1HB LYS 62 2HB LYS 62 8.727 -13.292 -7.465 60 2HB LYS 62 3HB LYS 62 8.549 -13.561 -5.743 61 1HG LYS 62 2HG LYS 62 6.260 -12.402 -5.907 62 2HG LYS 62 3HG LYS 62 6.448 -12.439 -7.649 63 1HD LYS 62 2HD LYS 62 6.976 -15.039 -7.186 64 2HD LYS 62 3HD LYS 62 6.045 -14.733 -5.733 65 1HE LYS 62 2HE LYS 62 4.297 -15.288 -7.151 66 2HE LYS 62 3HE LYS 62 4.356 -13.566 -7.474 67 1HZ LYS 62 1HZ LYS 62 5.658 -15.666 -9.063 68 2HZ LYS 62 2HZ LYS 62 4.369 -14.766 -9.508 69 3HZ LYS 62 3HZ LYS 62 5.835 -14.065 -9.337 70 H LYS 63 HN LYS 63 10.320 -9.543 -5.618 71 HA LYS 63 HA LYS 63 10.802 -10.696 -2.966 72 1HB LYS 63 2HB LYS 63 12.857 -9.723 -4.961 73 2HB LYS 63 3HB LYS 63 13.194 -9.843 -3.246 74 1HG LYS 63 2HG LYS 63 12.291 -12.299 -3.450 75 2HG LYS 63 3HG LYS 63 12.487 -12.081 -5.178 76 1HD LYS 63 2HD LYS 63 14.608 -12.866 -4.741 77 2HD LYS 63 3HD LYS 63 14.920 -11.178 -4.388 78 1HE LYS 63 2HE LYS 63 15.582 -11.856 -2.319 79 2HE LYS 63 3HE LYS 63 13.888 -12.129 -1.965 80 1HZ LYS 63 1HZ LYS 63 15.944 -14.034 -2.556 81 2HZ LYS 63 2HZ LYS 63 14.597 -14.202 -1.649 82 3HZ LYS 63 3HZ LYS 63 14.510 -14.346 -3.273 83 H GLY 64 HN GLY 64 9.139 -8.431 -4.413 84 1HA GLY 64 1HA GLY 64 9.082 -6.640 -2.294 85 2HA GLY 64 2HA GLY 64 10.196 -5.974 -3.472 86 H TYR 65 HN TYR 65 7.877 -4.564 -2.917 87 HA TYR 65 HA TYR 65 5.997 -5.249 -5.046 88 1HB TYR 65 2HB TYR 65 6.125 -3.376 -2.616 89 2HB TYR 65 3HB TYR 65 4.839 -3.207 -3.794 90 HD1 TYR 65 HD1 TYR 65 6.185 -5.261 -1.074 91 HD2 TYR 65 HD2 TYR 65 3.099 -4.939 -4.020 92 HE1 TYR 65 HE1 TYR 65 4.836 -7.047 0.133 93 HE2 TYR 65 HE2 TYR 65 1.761 -6.726 -2.803 94 HH TYR 65 HH TYR 65 1.577 -7.622 -0.565 95 H HIS 66 HN HIS 66 6.406 -4.392 -7.023 96 HA HIS 66 HA HIS 66 6.535 -1.657 -7.410 97 1HB HIS 66 2HB HIS 66 8.850 -1.340 -8.139 98 2HB HIS 66 3HB HIS 66 8.745 -1.721 -6.432 99 HD1 HIS 66 HD1 HIS 66 10.504 -3.322 -5.704 100 HD2 HIS 66 HD2 HIS 66 9.333 -3.987 -9.676 101 HE1 HIS 66 HE1 HIS 66 11.933 -5.257 -6.556 102 H TRP 67 HN TRP 67 6.819 -1.123 -9.758 103 HA TRP 67 HA TRP 67 5.702 -3.250 -11.325 104 1HB TRP 67 2HB TRP 67 6.377 -0.363 -11.874 105 2HB TRP 67 3HB TRP 67 5.807 -1.449 -13.127 106 HD1 TRP 67 HD1 TRP 67 4.553 0.357 -9.967 107 HE1 TRP 67 HE1 TRP 67 1.918 0.344 -9.836 108 HE3 TRP 67 HE3 TRP 67 3.851 -2.810 -13.882 109 HZ2 TRP 67 HZ2 TRP 67 -0.119 -0.960 -11.351 110 HZ3 TRP 67 HZ3 TRP 67 1.508 -3.402 -14.491 111 HH2 TRP 67 HH2 TRP 67 -0.439 -2.532 -13.296 112 H LYS 68 HN LYS 68 6.716 -4.286 -13.120 113 HA LYS 68 HA LYS 68 9.378 -4.903 -12.839 114 1HB LYS 68 2HB LYS 68 7.974 -6.374 -14.044 115 2HB LYS 68 3HB LYS 68 7.454 -5.123 -15.155 116 1HG LYS 68 2HG LYS 68 10.334 -5.261 -15.280 117 2HG LYS 68 3HG LYS 68 9.719 -6.898 -15.392 118 1HD LYS 68 2HD LYS 68 8.311 -4.808 -17.033 119 2HD LYS 68 3HD LYS 68 9.925 -5.258 -17.546 120 1HE LYS 68 2HE LYS 68 8.383 -6.727 -18.699 121 2HE LYS 68 3HE LYS 68 9.202 -7.696 -17.490 122 1HZ LYS 68 1HZ LYS 68 7.293 -8.056 -16.473 123 2HZ LYS 68 2HZ LYS 68 6.880 -6.477 -16.442 124 3HZ LYS 68 3HZ LYS 68 6.524 -7.388 -17.750 125 H SER 69 HN SER 69 7.795 -2.288 -14.719 126 HA SER 69 HA SER 69 10.002 -1.546 -16.185 127 1HB SER 69 2HB SER 69 7.829 -0.666 -16.743 128 2HB SER 69 3HB SER 69 7.611 0.018 -15.145 129 HG SER 69 HG SER 69 8.288 1.794 -16.195 130 H GLU 70 HN GLU 70 9.044 -0.884 -12.810 131 HA GLU 70 HA GLU 70 11.314 0.908 -12.559 132 1HB GLU 70 2HB GLU 70 10.224 1.910 -10.781 133 2HB GLU 70 3HB GLU 70 8.832 1.329 -11.673 134 1HG GLU 70 2HG GLU 70 8.795 -0.741 -10.261 135 2HG GLU 70 3HG GLU 70 10.181 -0.152 -9.365 136 H CYS 71 HN CYS 71 10.636 -2.356 -12.358 137 HA CYS 71 HA CYS 71 11.712 -3.101 -9.911 138 1HB CYS 71 2HB CYS 71 10.478 -4.718 -11.141 139 2HB CYS 71 3HB CYS 71 11.484 -4.536 -12.564 140 H LYS 72 HN LYS 72 13.761 -2.697 -9.160 141 HA LYS 72 HA LYS 72 15.895 -2.537 -11.174 142 1HB LYS 72 2HB LYS 72 17.025 -0.962 -9.696 143 2HB LYS 72 3HB LYS 72 15.436 -0.372 -10.141 144 1HG LYS 72 2HG LYS 72 14.959 -0.151 -7.937 145 2HG LYS 72 3HG LYS 72 14.994 -1.897 -7.796 146 1HD LYS 72 2HD LYS 72 17.723 -1.098 -7.827 147 2HD LYS 72 3HD LYS 72 16.916 0.071 -6.801 148 1HE LYS 72 2HE LYS 72 15.790 -2.384 -6.007 149 2HE LYS 72 3HE LYS 72 17.471 -2.783 -6.302 150 1HZ LYS 72 1HZ LYS 72 17.950 -1.810 -4.406 151 2HZ LYS 72 2HZ LYS 72 17.409 -0.371 -4.955 152 3HZ LYS 72 3HZ LYS 72 16.394 -1.376 -4.164 153 H SER 73 HN SER 73 14.595 -4.819 -9.466 154 HA SER 73 HA SER 73 16.335 -5.581 -7.509 155 1HB SER 73 2HB SER 73 14.141 -6.718 -8.951 156 2HB SER 73 3HB SER 73 15.426 -7.909 -8.982 157 HG SER 73 HG SER 73 15.561 -7.781 -6.660 158 H LYS 74 HN LYS 74 17.560 -7.964 -7.918 159 HA LYS 74 HA LYS 74 19.472 -7.359 -10.061 160 1HB LYS 74 2HB LYS 74 19.764 -8.242 -7.256 161 2HB LYS 74 3HB LYS 74 20.763 -9.113 -8.403 162 1HG LYS 74 2HG LYS 74 21.782 -7.064 -9.214 163 2HG LYS 74 3HG LYS 74 20.608 -6.068 -8.377 164 1HD LYS 74 2HD LYS 74 21.630 -6.339 -6.308 165 2HD LYS 74 3HD LYS 74 22.178 -7.964 -6.665 166 1HE LYS 74 2HE LYS 74 23.923 -7.040 -8.205 167 2HE LYS 74 3HE LYS 74 23.374 -5.414 -7.853 168 1HZ LYS 74 1HZ LYS 74 24.971 -5.614 -6.308 169 2HZ LYS 74 2HZ LYS 74 23.769 -6.273 -5.420 170 3HZ LYS 74 3HZ LYS 74 24.849 -7.237 -6.174 171 H PHE 75 HN PHE 75 17.831 -10.066 -8.286 172 HA PHE 75 HA PHE 75 17.900 -11.533 -10.825 173 1HB PHE 75 2HB PHE 75 18.646 -12.249 -7.967 174 2HB PHE 75 3HB PHE 75 17.911 -13.510 -8.937 175 HD1 PHE 75 HD1 PHE 75 20.564 -10.913 -9.414 176 HD2 PHE 75 HD2 PHE 75 19.393 -14.960 -9.920 177 HE1 PHE 75 HE1 PHE 75 22.799 -11.433 -10.432 178 HE2 PHE 75 HE2 PHE 75 21.627 -15.480 -10.938 179 HZ PHE 75 HZ PHE 75 23.303 -13.710 -11.183 180 H ASP 76 HN ASP 76 16.004 -12.611 -11.399 181 HA ASP 76 HA ASP 76 13.862 -12.418 -9.432 182 1HB ASP 76 2HB ASP 76 12.289 -11.998 -11.317 183 2HB ASP 76 3HB ASP 76 13.494 -10.733 -11.181 184 H LYS 77 HN LYS 77 11.871 -13.868 -10.680 185 HA LYS 77 HA LYS 77 12.380 -16.445 -10.293 186 1HB LYS 77 2HB LYS 77 10.265 -15.040 -11.227 187 2HB LYS 77 3HB LYS 77 10.710 -15.895 -12.690 188 1HG LYS 77 2HG LYS 77 10.795 -17.662 -10.335 189 2HG LYS 77 3HG LYS 77 9.216 -16.929 -10.535 190 1HD LYS 77 2HD LYS 77 10.480 -17.974 -13.040 191 2HD LYS 77 3HD LYS 77 10.024 -19.187 -11.861 192 1HE LYS 77 2HE LYS 77 8.009 -17.032 -12.471 193 2HE LYS 77 3HE LYS 77 8.284 -18.245 -13.705 194 1HZ LYS 77 1HZ LYS 77 8.066 -19.466 -11.192 195 2HZ LYS 77 2HZ LYS 77 6.768 -18.507 -11.442 196 3HZ LYS 77 3HZ LYS 77 7.137 -19.680 -12.517 197 H ASP 78 HN ASP 78 12.999 -18.307 -11.552 198 HA ASP 78 HA ASP 78 14.260 -19.409 -12.927 199 1HB ASP 78 2HB ASP 78 12.983 -18.713 -14.809 200 2HB ASP 78 3HB ASP 78 13.543 -17.056 -14.696 201 H GLY 79 HN GLY 79 15.218 -16.884 -11.230 202 1HA GLY 79 1HA GLY 79 17.167 -15.898 -10.707 203 2HA GLY 79 2HA GLY 79 17.962 -17.243 -11.502 204 H ASN 80 HN ASN 80 15.746 -14.755 -12.924 205 HA ASN 80 HA ASN 80 17.664 -14.336 -14.994 206 1HB ASN 80 2HB ASN 80 14.833 -13.434 -14.410 207 2HB ASN 80 3HB ASN 80 15.765 -12.501 -15.563 208 1HD2 ASN 80 1HD2 ASN 80 13.816 -15.175 -15.075 209 2HD2 ASN 80 2HD2 ASN 80 14.064 -16.020 -16.566 210 HA PRO 81 HA PRO 81 19.312 -10.769 -13.016 211 1HB PRO 81 2HB PRO 81 20.812 -9.768 -15.070 212 2HB PRO 81 3HB PRO 81 21.362 -11.062 -14.024 213 1HG PRO 81 2HG PRO 81 20.392 -11.219 -16.812 214 2HG PRO 81 3HG PRO 81 21.327 -12.393 -15.908 215 1HD PRO 81 2HD PRO 81 18.523 -12.520 -16.498 216 2HD PRO 81 3HD PRO 81 19.435 -13.632 -15.497 217 H LEU 82 HN LEU 82 17.623 -9.474 -12.437 218 HA LEU 82 HA LEU 82 15.866 -8.278 -14.060 219 1HB LEU 82 2HB LEU 82 17.143 -7.480 -11.487 220 2HB LEU 82 3HB LEU 82 16.131 -6.307 -12.305 221 HG LEU 82 HG LEU 82 14.694 -7.354 -10.798 222 1HD1 LEU 82 1HD1 LEU 82 14.168 -9.053 -13.233 223 2HD1 LEU 82 2HD1 LEU 82 13.007 -8.301 -12.112 224 3HD1 LEU 82 3HD1 LEU 82 13.930 -7.289 -13.248 225 1HD2 LEU 82 1HD2 LEU 82 15.390 -10.149 -11.640 226 2HD2 LEU 82 2HD2 LEU 82 16.421 -9.287 -10.472 227 3HD2 LEU 82 3HD2 LEU 82 14.699 -9.555 -10.111 228 HA PRO 83 HA PRO 83 17.906 -5.368 -16.506 229 1HB PRO 83 2HB PRO 83 16.006 -3.439 -16.875 230 2HB PRO 83 3HB PRO 83 16.016 -4.955 -17.755 231 1HG PRO 83 2HG PRO 83 14.266 -4.119 -15.524 232 2HG PRO 83 3HG PRO 83 14.030 -5.417 -16.678 233 1HD PRO 83 2HD PRO 83 14.876 -5.679 -13.950 234 2HD PRO 83 3HD PRO 83 14.752 -6.962 -15.136 235 HA PRO 84 HA PRO 84 19.685 -2.208 -14.306 236 1HB PRO 84 2HB PRO 84 20.514 -0.447 -16.224 237 2HB PRO 84 3HB PRO 84 21.385 -1.915 -15.831 238 1HG PRO 84 2HG PRO 84 19.688 -1.341 -18.182 239 2HG PRO 84 3HG PRO 84 20.886 -2.604 -17.974 240 1HD PRO 84 2HD PRO 84 18.036 -2.905 -17.857 241 2HD PRO 84 3HD PRO 84 19.234 -4.142 -17.535 Start of MODEL 16 1 HA PRO 54 HA PRO 54 1.690 0.628 -1.902 2 1HB PRO 54 2HB PRO 54 4.263 -0.141 -1.396 3 2HB PRO 54 3HB PRO 54 3.677 1.486 -1.116 4 1HG PRO 54 2HG PRO 54 4.253 -0.640 0.854 5 2HG PRO 54 3HG PRO 54 4.083 1.084 1.118 6 1HD PRO 54 2HD PRO 54 2.147 -0.944 1.722 7 2HD PRO 54 3HD PRO 54 1.934 0.789 1.877 8 HA PRO 55 HA PRO 55 1.162 -3.749 -2.557 9 1HB PRO 55 2HB PRO 55 -1.140 -3.685 -4.028 10 2HB PRO 55 3HB PRO 55 -1.116 -3.958 -2.297 11 1HG PRO 55 2HG PRO 55 -1.889 -1.519 -3.778 12 2HG PRO 55 3HG PRO 55 -2.253 -1.959 -2.121 13 1HD PRO 55 2HD PRO 55 -0.281 -0.071 -3.003 14 2HD PRO 55 3HD PRO 55 -0.566 -0.596 -1.356 15 H GLY 56 HN GLY 56 2.027 -4.933 -4.202 16 1HA GLY 56 1HA GLY 56 2.020 -4.983 -6.707 17 2HA GLY 56 2HA GLY 56 2.548 -3.314 -6.622 18 H LEU 57 HN LEU 57 3.436 -6.389 -4.880 19 HA LEU 57 HA LEU 57 6.118 -5.654 -4.586 20 1HB LEU 57 2HB LEU 57 4.890 -7.294 -3.208 21 2HB LEU 57 3HB LEU 57 4.860 -8.401 -4.566 22 HG LEU 57 HG LEU 57 7.319 -8.529 -4.536 23 1HD1 LEU 57 1HD1 LEU 57 7.094 -6.186 -2.926 24 2HD1 LEU 57 2HD1 LEU 57 7.909 -7.447 -1.971 25 3HD1 LEU 57 3HD1 LEU 57 8.558 -6.974 -3.560 26 1HD2 LEU 57 1HD2 LEU 57 5.572 -9.391 -2.332 27 2HD2 LEU 57 2HD2 LEU 57 6.708 -10.321 -3.338 28 3HD2 LEU 57 3HD2 LEU 57 7.309 -9.394 -1.942 29 H CYS 58 HN CYS 58 8.003 -6.214 -5.740 30 HA CYS 58 HA CYS 58 7.471 -6.724 -8.537 31 1HB CYS 58 2HB CYS 58 8.940 -4.839 -7.895 32 2HB CYS 58 3HB CYS 58 10.056 -5.959 -7.140 33 HA PRO 59 HA PRO 59 8.574 -10.914 -7.643 34 1HB PRO 59 2HB PRO 59 7.688 -11.995 -9.992 35 2HB PRO 59 3HB PRO 59 6.655 -11.759 -8.596 36 1HG PRO 59 2HG PRO 59 6.763 -10.201 -11.106 37 2HG PRO 59 3HG PRO 59 5.489 -10.260 -9.904 38 1HD PRO 59 2HD PRO 59 7.411 -8.161 -10.266 39 2HD PRO 59 3HD PRO 59 6.211 -8.276 -8.994 40 H ARG 60 HN ARG 60 9.958 -8.710 -9.593 41 HA ARG 60 HA ARG 60 11.695 -10.619 -10.855 42 1HB ARG 60 2HB ARG 60 10.879 -7.862 -11.331 43 2HB ARG 60 3HB ARG 60 12.629 -7.938 -11.275 44 1HG ARG 60 2HG ARG 60 11.602 -10.203 -12.797 45 2HG ARG 60 3HG ARG 60 10.922 -8.717 -13.428 46 1HD ARG 60 2HD ARG 60 13.578 -7.992 -13.051 47 2HD ARG 60 3HD ARG 60 13.735 -9.681 -13.491 48 HE ARG 60 HE ARG 60 11.919 -8.123 -15.214 49 1HH1 ARG 60 1HH1 ARG 60 14.098 -8.351 -17.930 50 2HH1 ARG 60 2HH1 ARG 60 12.504 -7.912 -17.413 51 1HH2 ARG 60 1HH2 ARG 60 15.638 -9.153 -16.390 52 2HH2 ARG 60 2HH2 ARG 60 15.194 -9.312 -14.724 53 H CYS 61 HN CYS 61 12.196 -7.525 -8.985 54 HA CYS 61 HA CYS 61 14.784 -8.433 -8.165 55 1HB CYS 61 2HB CYS 61 14.933 -6.252 -7.024 56 2HB CYS 61 3HB CYS 61 14.485 -6.087 -8.710 57 H LYS 62 HN LYS 62 11.484 -7.965 -6.804 58 HA LYS 62 HA LYS 62 10.534 -8.643 -4.931 59 1HB LYS 62 2HB LYS 62 12.560 -10.754 -5.457 60 2HB LYS 62 3HB LYS 62 11.865 -10.734 -3.849 61 1HG LYS 62 2HG LYS 62 9.552 -10.611 -4.970 62 2HG LYS 62 3HG LYS 62 10.359 -10.916 -6.496 63 1HD LYS 62 2HD LYS 62 11.343 -13.031 -5.488 64 2HD LYS 62 3HD LYS 62 10.390 -12.741 -4.046 65 1HE LYS 62 2HE LYS 62 8.297 -12.771 -5.466 66 2HE LYS 62 3HE LYS 62 9.281 -13.158 -6.864 67 1HZ LYS 62 1HZ LYS 62 9.033 -14.785 -4.431 68 2HZ LYS 62 2HZ LYS 62 8.420 -15.139 -5.902 69 3HZ LYS 62 3HZ LYS 62 10.036 -15.132 -5.671 70 H LYS 63 HN LYS 63 12.463 -6.454 -4.872 71 HA LYS 63 HA LYS 63 13.238 -6.693 -2.052 72 1HB LYS 63 2HB LYS 63 14.868 -5.817 -4.405 73 2HB LYS 63 3HB LYS 63 15.110 -4.996 -2.877 74 1HG LYS 63 2HG LYS 63 15.020 -8.018 -2.889 75 2HG LYS 63 3HG LYS 63 16.466 -7.224 -3.478 76 1HD LYS 63 2HD LYS 63 15.379 -6.182 -0.889 77 2HD LYS 63 3HD LYS 63 16.027 -7.810 -0.840 78 1HE LYS 63 2HE LYS 63 18.198 -7.082 -1.612 79 2HE LYS 63 3HE LYS 63 17.585 -5.514 -2.099 80 1HZ LYS 63 1HZ LYS 63 18.578 -6.249 0.372 81 2HZ LYS 63 2HZ LYS 63 18.003 -4.789 -0.081 82 3HZ LYS 63 3HZ LYS 63 17.000 -5.890 0.590 83 H GLY 64 HN GLY 64 10.775 -5.686 -3.497 84 1HA GLY 64 1HA GLY 64 10.140 -3.533 -1.952 85 2HA GLY 64 2HA GLY 64 10.896 -2.820 -3.363 86 H TYR 65 HN TYR 65 8.463 -1.976 -3.318 87 HA TYR 65 HA TYR 65 6.847 -3.875 -4.882 88 1HB TYR 65 2HB TYR 65 6.298 -1.550 -2.951 89 2HB TYR 65 3HB TYR 65 5.036 -2.127 -4.021 90 HD1 TYR 65 HD1 TYR 65 7.160 -2.997 -1.127 91 HD2 TYR 65 HD2 TYR 65 3.902 -4.226 -3.613 92 HE1 TYR 65 HE1 TYR 65 6.541 -4.795 0.560 93 HE2 TYR 65 HE2 TYR 65 3.294 -6.019 -1.917 94 HH TYR 65 HH TYR 65 3.905 -6.071 0.945 95 H HIS 66 HN HIS 66 6.754 -3.417 -7.019 96 HA HIS 66 HA HIS 66 5.988 -0.948 -7.982 97 1HB HIS 66 2HB HIS 66 8.068 -0.179 -9.082 98 2HB HIS 66 3HB HIS 66 8.113 -0.056 -7.335 99 HD1 HIS 66 HD1 HIS 66 10.337 -0.707 -6.434 100 HD2 HIS 66 HD2 HIS 66 9.309 -2.950 -9.827 101 HE1 HIS 66 HE1 HIS 66 12.285 -2.301 -6.855 102 H TRP 67 HN TRP 67 5.984 -0.922 -10.414 103 HA TRP 67 HA TRP 67 5.417 -3.543 -11.359 104 1HB TRP 67 2HB TRP 67 5.397 -0.795 -12.581 105 2HB TRP 67 3HB TRP 67 5.154 -2.227 -13.562 106 HD1 TRP 67 HD1 TRP 67 3.437 -0.296 -10.675 107 HE1 TRP 67 HE1 TRP 67 0.871 -0.894 -10.532 108 HE3 TRP 67 HE3 TRP 67 3.567 -3.988 -14.169 109 HZ2 TRP 67 HZ2 TRP 67 -0.779 -2.802 -11.867 110 HZ3 TRP 67 HZ3 TRP 67 1.435 -5.168 -14.691 111 HH2 TRP 67 HH2 TRP 67 -0.687 -4.629 -13.604 112 H LYS 68 HN LYS 68 6.554 -4.691 -13.056 113 HA LYS 68 HA LYS 68 9.268 -4.812 -12.778 114 1HB LYS 68 2HB LYS 68 7.520 -5.600 -15.126 115 2HB LYS 68 3HB LYS 68 9.204 -6.055 -14.962 116 1HG LYS 68 2HG LYS 68 8.786 -7.377 -13.011 117 2HG LYS 68 3HG LYS 68 7.231 -6.621 -12.721 118 1HD LYS 68 2HD LYS 68 6.457 -7.628 -14.964 119 2HD LYS 68 3HD LYS 68 7.946 -8.552 -14.972 120 1HE LYS 68 2HE LYS 68 7.314 -9.862 -13.122 121 2HE LYS 68 3HE LYS 68 6.237 -8.636 -12.483 122 1HZ LYS 68 1HZ LYS 68 5.551 -9.698 -15.072 123 2HZ LYS 68 2HZ LYS 68 5.390 -10.726 -13.812 124 3HZ LYS 68 3HZ LYS 68 4.583 -9.306 -13.816 125 H SER 69 HN SER 69 7.374 -3.055 -15.325 126 HA SER 69 HA SER 69 9.644 -2.038 -16.567 127 1HB SER 69 2HB SER 69 7.975 -0.366 -17.552 128 2HB SER 69 3HB SER 69 7.604 -2.059 -17.808 129 HG SER 69 HG SER 69 5.682 -1.265 -17.084 130 H GLU 70 HN GLU 70 7.846 -1.123 -13.676 131 HA GLU 70 HA GLU 70 8.960 1.521 -13.659 132 1HB GLU 70 2HB GLU 70 7.087 -0.025 -11.846 133 2HB GLU 70 3HB GLU 70 7.798 1.480 -11.299 134 1HG GLU 70 2HG GLU 70 6.767 1.778 -14.021 135 2HG GLU 70 3HG GLU 70 5.513 1.164 -12.961 136 H CYS 71 HN CYS 71 9.976 -1.628 -12.828 137 HA CYS 71 HA CYS 71 11.226 -1.375 -10.427 138 1HB CYS 71 2HB CYS 71 11.075 -3.471 -11.728 139 2HB CYS 71 3HB CYS 71 12.257 -2.859 -12.868 140 H LYS 72 HN LYS 72 12.743 0.071 -9.692 141 HA LYS 72 HA LYS 72 14.453 1.330 -11.723 142 1HB LYS 72 2HB LYS 72 12.676 2.540 -9.984 143 2HB LYS 72 3HB LYS 72 14.201 2.701 -9.137 144 1HG LYS 72 2HG LYS 72 15.049 3.388 -11.624 145 2HG LYS 72 3HG LYS 72 13.366 3.850 -11.787 146 1HD LYS 72 2HD LYS 72 14.393 5.817 -10.955 147 2HD LYS 72 3HD LYS 72 13.665 5.108 -9.527 148 1HE LYS 72 2HE LYS 72 15.837 5.602 -8.766 149 2HE LYS 72 3HE LYS 72 15.987 3.911 -9.204 150 1HZ LYS 72 1HZ LYS 72 17.072 6.233 -10.521 151 2HZ LYS 72 2HZ LYS 72 17.704 4.736 -10.357 152 3HZ LYS 72 3HZ LYS 72 16.574 5.024 -11.500 153 H SER 73 HN SER 73 14.555 -1.249 -9.849 154 HA SER 73 HA SER 73 16.753 -0.679 -8.176 155 1HB SER 73 2HB SER 73 15.207 -3.120 -8.999 156 2HB SER 73 3HB SER 73 16.807 -3.379 -8.333 157 HG SER 73 HG SER 73 15.856 -3.180 -6.428 158 H LYS 74 HN LYS 74 18.938 -1.750 -8.401 159 HA LYS 74 HA LYS 74 19.810 -1.520 -11.154 160 1HB LYS 74 2HB LYS 74 22.014 -1.351 -10.263 161 2HB LYS 74 3HB LYS 74 20.972 -0.344 -9.278 162 1HG LYS 74 2HG LYS 74 20.749 -2.622 -7.842 163 2HG LYS 74 3HG LYS 74 22.301 -2.958 -8.584 164 1HD LYS 74 2HD LYS 74 22.754 -1.830 -6.494 165 2HD LYS 74 3HD LYS 74 23.112 -0.688 -7.774 166 1HE LYS 74 2HE LYS 74 20.428 -0.166 -7.328 167 2HE LYS 74 3HE LYS 74 20.957 -0.613 -5.718 168 1HZ LYS 74 1HZ LYS 74 22.555 1.067 -5.741 169 2HZ LYS 74 2HZ LYS 74 22.432 1.324 -7.349 170 3HZ LYS 74 3HZ LYS 74 21.216 1.770 -6.355 171 H PHE 75 HN PHE 75 19.386 -3.943 -8.563 172 HA PHE 75 HA PHE 75 20.030 -5.982 -10.568 173 1HB PHE 75 2HB PHE 75 20.789 -5.679 -7.612 174 2HB PHE 75 3HB PHE 75 20.816 -7.254 -8.380 175 HD1 PHE 75 HD1 PHE 75 22.854 -4.699 -7.411 176 HD2 PHE 75 HD2 PHE 75 22.077 -7.080 -10.836 177 HE1 PHE 75 HE1 PHE 75 25.177 -4.253 -8.248 178 HE2 PHE 75 HE2 PHE 75 24.400 -6.634 -11.674 179 HZ PHE 75 HZ PHE 75 25.923 -5.225 -10.370 180 H ASP 76 HN ASP 76 19.001 -8.132 -10.089 181 HA ASP 76 HA ASP 76 16.637 -7.805 -8.427 182 1HB ASP 76 2HB ASP 76 15.372 -9.147 -10.177 183 2HB ASP 76 3HB ASP 76 15.810 -7.524 -10.673 184 H LYS 77 HN LYS 77 15.528 -10.318 -8.583 185 HA LYS 77 HA LYS 77 16.920 -11.925 -6.988 186 1HB LYS 77 2HB LYS 77 14.576 -12.241 -7.809 187 2HB LYS 77 3HB LYS 77 15.217 -12.921 -9.290 188 1HG LYS 77 2HG LYS 77 14.852 -14.849 -7.994 189 2HG LYS 77 3HG LYS 77 16.555 -14.545 -7.714 190 1HD LYS 77 2HD LYS 77 15.799 -13.159 -5.644 191 2HD LYS 77 3HD LYS 77 14.222 -13.889 -5.870 192 1HE LYS 77 2HE LYS 77 14.965 -16.032 -5.292 193 2HE LYS 77 3HE LYS 77 16.602 -15.736 -5.844 194 1HZ LYS 77 1HZ LYS 77 15.355 -14.862 -3.353 195 2HZ LYS 77 2HZ LYS 77 16.748 -15.689 -3.564 196 3HZ LYS 77 3HZ LYS 77 16.680 -14.098 -3.926 197 H ASP 78 HN ASP 78 18.314 -13.797 -7.204 198 HA ASP 78 HA ASP 78 20.045 -14.865 -7.952 199 1HB ASP 78 2HB ASP 78 18.865 -15.702 -9.833 200 2HB ASP 78 3HB ASP 78 18.744 -14.123 -10.582 201 H GLY 79 HN GLY 79 19.795 -11.679 -7.814 202 1HA GLY 79 1HA GLY 79 21.188 -9.923 -7.970 203 2HA GLY 79 2HA GLY 79 22.504 -11.075 -8.074 204 H ASN 80 HN ASN 80 19.735 -10.693 -10.365 205 HA ASN 80 HA ASN 80 21.598 -10.591 -12.510 206 1HB ASN 80 2HB ASN 80 18.583 -10.660 -12.225 207 2HB ASN 80 3HB ASN 80 19.250 -10.137 -13.759 208 1HD2 ASN 80 1HD2 ASN 80 18.334 -12.736 -11.875 209 2HD2 ASN 80 2HD2 ASN 80 19.060 -14.038 -12.757 210 HA PRO 81 HA PRO 81 21.525 -6.220 -12.882 211 1HB PRO 81 2HB PRO 81 22.223 -5.881 -15.502 212 2HB PRO 81 3HB PRO 81 23.387 -6.217 -14.236 213 1HG PRO 81 2HG PRO 81 22.340 -8.033 -16.321 214 2HG PRO 81 3HG PRO 81 23.780 -8.205 -15.338 215 1HD PRO 81 2HD PRO 81 21.289 -9.584 -14.989 216 2HD PRO 81 3HD PRO 81 22.690 -9.669 -13.939 217 H LEU 82 HN LEU 82 19.540 -5.412 -12.428 218 HA LEU 82 HA LEU 82 17.259 -5.876 -13.733 219 1HB LEU 82 2HB LEU 82 18.253 -3.947 -11.932 220 2HB LEU 82 3HB LEU 82 17.420 -3.055 -13.189 221 HG LEU 82 HG LEU 82 15.698 -3.390 -11.733 222 1HD1 LEU 82 1HD1 LEU 82 14.159 -4.811 -12.704 223 2HD1 LEU 82 2HD1 LEU 82 15.344 -4.599 -14.015 224 3HD1 LEU 82 3HD1 LEU 82 15.366 -6.079 -13.026 225 1HD2 LEU 82 1HD2 LEU 82 17.049 -5.978 -10.971 226 2HD2 LEU 82 2HD2 LEU 82 16.747 -4.533 -9.975 227 3HD2 LEU 82 3HD2 LEU 82 15.392 -5.584 -10.453 228 HA PRO 83 HA PRO 83 18.414 -4.463 -17.761 229 1HB PRO 83 2HB PRO 83 16.684 -6.059 -19.149 230 2HB PRO 83 3HB PRO 83 18.312 -6.552 -18.724 231 1HG PRO 83 2HG PRO 83 15.746 -7.395 -17.521 232 2HG PRO 83 3HG PRO 83 17.315 -8.168 -17.414 233 1HD PRO 83 2HD PRO 83 16.037 -6.591 -15.388 234 2HD PRO 83 3HD PRO 83 17.653 -7.266 -15.326 235 HA PRO 84 HA PRO 84 15.375 -1.595 -18.488 236 1HB PRO 84 2HB PRO 84 15.813 -0.895 -21.093 237 2HB PRO 84 3HB PRO 84 16.763 -0.269 -19.760 238 1HG PRO 84 2HG PRO 84 17.503 -2.312 -21.765 239 2HG PRO 84 3HG PRO 84 18.547 -1.378 -20.713 240 1HD PRO 84 2HD PRO 84 17.790 -4.124 -20.381 241 2HD PRO 84 3HD PRO 84 18.739 -3.157 -19.270 Start of MODEL 17 1 HA PRO 54 HA PRO 54 1.690 0.628 -1.902 2 1HB PRO 54 2HB PRO 54 4.263 -0.141 -1.396 3 2HB PRO 54 3HB PRO 54 3.677 1.486 -1.116 4 1HG PRO 54 2HG PRO 54 4.253 -0.640 0.854 5 2HG PRO 54 3HG PRO 54 4.083 1.084 1.118 6 1HD PRO 54 2HD PRO 54 2.147 -0.944 1.722 7 2HD PRO 54 3HD PRO 54 1.934 0.789 1.877 8 HA PRO 55 HA PRO 55 1.773 -3.172 -3.794 9 1HB PRO 55 2HB PRO 55 3.564 -2.933 -5.844 10 2HB PRO 55 3HB PRO 55 1.931 -2.300 -5.919 11 1HG PRO 55 2HG PRO 55 4.471 -0.835 -5.538 12 2HG PRO 55 3HG PRO 55 2.909 -0.214 -6.034 13 1HD PRO 55 2HD PRO 55 4.106 0.029 -3.439 14 2HD PRO 55 3HD PRO 55 2.498 0.547 -3.904 15 H GLY 56 HN GLY 56 5.159 -2.637 -4.488 16 1HA GLY 56 1HA GLY 56 7.001 -3.721 -3.782 17 2HA GLY 56 2HA GLY 56 6.136 -4.181 -2.329 18 H LEU 57 HN LEU 57 7.272 -5.199 -5.474 19 HA LEU 57 HA LEU 57 5.628 -7.434 -5.843 20 1HB LEU 57 2HB LEU 57 7.018 -6.358 -7.568 21 2HB LEU 57 3HB LEU 57 8.463 -6.939 -6.764 22 HG LEU 57 HG LEU 57 7.645 -9.290 -7.135 23 1HD1 LEU 57 1HD1 LEU 57 5.230 -8.568 -7.434 24 2HD1 LEU 57 2HD1 LEU 57 5.682 -8.075 -9.083 25 3HD1 LEU 57 3HD1 LEU 57 5.849 -9.776 -8.586 26 1HD2 LEU 57 1HD2 LEU 57 9.157 -9.125 -8.752 27 2HD2 LEU 57 2HD2 LEU 57 7.836 -8.696 -9.866 28 3HD2 LEU 57 3HD2 LEU 57 8.754 -7.415 -9.038 29 H CYS 58 HN CYS 58 5.858 -9.622 -5.268 30 HA CYS 58 HA CYS 58 7.423 -9.981 -2.863 31 1HB CYS 58 2HB CYS 58 5.062 -10.697 -2.888 32 2HB CYS 58 3HB CYS 58 5.402 -11.817 -4.193 33 HA PRO 59 HA PRO 59 10.446 -11.865 -5.486 34 1HB PRO 59 2HB PRO 59 12.471 -11.941 -3.652 35 2HB PRO 59 3HB PRO 59 12.155 -10.552 -4.674 36 1HG PRO 59 2HG PRO 59 11.570 -10.909 -1.798 37 2HG PRO 59 3HG PRO 59 11.660 -9.424 -2.725 38 1HD PRO 59 2HD PRO 59 9.277 -10.760 -1.850 39 2HD PRO 59 3HD PRO 59 9.367 -9.340 -2.873 40 H ARG 60 HN ARG 60 8.750 -13.069 -2.944 41 HA ARG 60 HA ARG 60 10.235 -15.508 -2.817 42 1HB ARG 60 2HB ARG 60 8.213 -14.161 -1.222 43 2HB ARG 60 3HB ARG 60 7.651 -15.782 -1.579 44 1HG ARG 60 2HG ARG 60 10.468 -15.252 -0.547 45 2HG ARG 60 3HG ARG 60 9.113 -15.473 0.542 46 1HD ARG 60 2HD ARG 60 9.160 -17.732 0.265 47 2HD ARG 60 3HD ARG 60 9.104 -17.580 -1.480 48 HE ARG 60 HE ARG 60 11.737 -16.886 -0.555 49 1HH1 ARG 60 1HH1 ARG 60 13.142 -20.036 -1.084 50 2HH1 ARG 60 2HH1 ARG 60 13.467 -18.356 -0.815 51 1HH2 ARG 60 1HH2 ARG 60 10.951 -20.793 -1.180 52 2HH2 ARG 60 2HH2 ARG 60 9.640 -19.679 -0.983 53 H CYS 61 HN CYS 61 6.731 -14.716 -3.460 54 HA CYS 61 HA CYS 61 6.438 -17.160 -4.919 55 1HB CYS 61 2HB CYS 61 4.093 -16.458 -5.182 56 2HB CYS 61 3HB CYS 61 4.610 -16.396 -3.508 57 H LYS 62 HN LYS 62 6.608 -13.607 -5.537 58 HA LYS 62 HA LYS 62 6.999 -12.438 -7.367 59 1HB LYS 62 2HB LYS 62 8.455 -14.934 -7.806 60 2HB LYS 62 3HB LYS 62 7.991 -14.167 -9.312 61 1HG LYS 62 2HG LYS 62 8.854 -11.964 -7.954 62 2HG LYS 62 3HG LYS 62 9.840 -13.180 -7.164 63 1HD LYS 62 2HD LYS 62 10.366 -13.996 -9.624 64 2HD LYS 62 3HD LYS 62 9.784 -12.413 -10.100 65 1HE LYS 62 2HE LYS 62 11.463 -11.308 -8.671 66 2HE LYS 62 3HE LYS 62 11.980 -12.851 -8.021 67 1HZ LYS 62 1HZ LYS 62 12.900 -11.620 -10.288 68 2HZ LYS 62 2HZ LYS 62 13.291 -13.112 -9.752 69 3HZ LYS 62 3HZ LYS 62 12.069 -12.922 -10.818 70 H LYS 63 HN LYS 63 4.374 -13.508 -6.876 71 HA LYS 63 HA LYS 63 3.429 -13.535 -9.644 72 1HB LYS 63 2HB LYS 63 2.847 -15.557 -7.499 73 2HB LYS 63 3HB LYS 63 1.610 -15.171 -8.677 74 1HG LYS 63 2HG LYS 63 4.276 -15.586 -9.900 75 2HG LYS 63 3HG LYS 63 3.692 -16.998 -9.041 76 1HD LYS 63 2HD LYS 63 1.408 -16.214 -10.396 77 2HD LYS 63 3HD LYS 63 2.654 -15.732 -11.529 78 1HE LYS 63 2HE LYS 63 3.069 -17.889 -12.120 79 2HE LYS 63 3HE LYS 63 3.262 -18.378 -10.448 80 1HZ LYS 63 1HZ LYS 63 0.561 -17.860 -11.006 81 2HZ LYS 63 2HZ LYS 63 1.150 -18.936 -12.084 82 3HZ LYS 63 3HZ LYS 63 1.253 -19.244 -10.484 83 H GLY 64 HN GLY 64 3.771 -11.380 -7.665 84 1HA GLY 64 1HA GLY 64 1.535 -9.912 -7.990 85 2HA GLY 64 2HA GLY 64 1.143 -10.865 -6.573 86 H TYR 65 HN TYR 65 1.182 -8.273 -6.018 87 HA TYR 65 HA TYR 65 3.879 -7.684 -5.008 88 1HB TYR 65 2HB TYR 65 1.374 -6.103 -5.808 89 2HB TYR 65 3HB TYR 65 2.601 -5.346 -4.811 90 HD1 TYR 65 HD1 TYR 65 4.708 -4.626 -5.743 91 HD2 TYR 65 HD2 TYR 65 1.894 -6.768 -8.151 92 HE1 TYR 65 HE1 TYR 65 6.013 -4.004 -7.835 93 HE2 TYR 65 HE2 TYR 65 3.209 -6.139 -10.234 94 HH TYR 65 HH TYR 65 5.105 -5.317 -10.983 95 H HIS 66 HN HIS 66 4.186 -8.061 -2.875 96 HA HIS 66 HA HIS 66 2.539 -7.011 -0.925 97 1HB HIS 66 2HB HIS 66 1.538 -9.062 0.033 98 2HB HIS 66 3HB HIS 66 0.855 -8.606 -1.514 99 HD1 HIS 66 HD1 HIS 66 0.475 -10.569 -2.994 100 HD2 HIS 66 HD2 HIS 66 3.806 -11.112 -0.504 101 HE1 HIS 66 HE1 HIS 66 1.394 -12.889 -3.526 102 H TRP 67 HN TRP 67 3.276 -7.702 1.304 103 HA TRP 67 HA TRP 67 6.106 -8.045 1.242 104 1HB TRP 67 2HB TRP 67 4.095 -7.776 3.476 105 2HB TRP 67 3HB TRP 67 5.813 -7.984 3.753 106 HD1 TRP 67 HD1 TRP 67 3.307 -5.361 2.474 107 HE1 TRP 67 HE1 TRP 67 4.404 -2.965 2.346 108 HE3 TRP 67 HE3 TRP 67 8.054 -6.908 3.435 109 HZ2 TRP 67 HZ2 TRP 67 7.074 -2.007 2.654 110 HZ3 TRP 67 HZ3 TRP 67 9.848 -5.178 3.504 111 HH2 TRP 67 HH2 TRP 67 9.420 -2.801 3.133 112 H LYS 68 HN LYS 68 7.296 -9.838 2.173 113 HA LYS 68 HA LYS 68 6.438 -12.323 1.437 114 1HB LYS 68 2HB LYS 68 8.285 -13.178 2.786 115 2HB LYS 68 3HB LYS 68 8.766 -11.755 1.885 116 1HG LYS 68 2HG LYS 68 8.117 -10.416 4.046 117 2HG LYS 68 3HG LYS 68 8.150 -11.971 4.854 118 1HD LYS 68 2HD LYS 68 10.512 -11.316 3.118 119 2HD LYS 68 3HD LYS 68 10.350 -10.391 4.597 120 1HE LYS 68 2HE LYS 68 9.815 -13.078 5.352 121 2HE LYS 68 3HE LYS 68 11.173 -13.179 4.248 122 1HZ LYS 68 1HZ LYS 68 12.355 -11.622 5.569 123 2HZ LYS 68 2HZ LYS 68 11.067 -11.333 6.530 124 3HZ LYS 68 3HZ LYS 68 11.801 -12.791 6.566 125 H SER 69 HN SER 69 6.281 -10.814 4.733 126 HA SER 69 HA SER 69 5.008 -13.015 5.867 127 1HB SER 69 2HB SER 69 6.155 -11.388 7.260 128 2HB SER 69 3HB SER 69 5.145 -10.081 6.673 129 HG SER 69 HG SER 69 4.356 -12.303 8.348 130 H GLU 70 HN GLU 70 3.899 -10.319 3.888 131 HA GLU 70 HA GLU 70 1.171 -10.670 4.700 132 1HB GLU 70 2HB GLU 70 2.579 -8.849 2.720 133 2HB GLU 70 3HB GLU 70 0.830 -8.940 2.780 134 1HG GLU 70 2HG GLU 70 2.332 -8.525 5.368 135 2HG GLU 70 3HG GLU 70 2.180 -7.168 4.269 136 H CYS 71 HN CYS 71 3.354 -12.223 2.608 137 HA CYS 71 HA CYS 71 1.945 -12.647 0.307 138 1HB CYS 71 2HB CYS 71 4.279 -13.374 0.701 139 2HB CYS 71 3HB CYS 71 3.708 -14.644 1.765 140 H LYS 72 HN LYS 72 -0.073 -13.507 -0.038 141 HA LYS 72 HA LYS 72 -1.105 -15.314 2.034 142 1HB LYS 72 2HB LYS 72 -2.186 -12.981 1.486 143 2HB LYS 72 3HB LYS 72 -2.861 -13.822 0.105 144 1HG LYS 72 2HG LYS 72 -3.326 -15.635 2.168 145 2HG LYS 72 3HG LYS 72 -3.517 -14.097 2.986 146 1HD LYS 72 2HD LYS 72 -5.143 -13.362 1.232 147 2HD LYS 72 3HD LYS 72 -4.948 -14.896 0.406 148 1HE LYS 72 2HE LYS 72 -6.864 -15.328 1.680 149 2HE LYS 72 3HE LYS 72 -5.619 -15.947 2.746 150 1HZ LYS 72 1HZ LYS 72 -7.106 -13.453 2.952 151 2HZ LYS 72 2HZ LYS 72 -6.815 -14.578 4.100 152 3HZ LYS 72 3HZ LYS 72 -5.627 -13.556 3.638 153 H SER 73 HN SER 73 0.574 -15.571 -0.677 154 HA SER 73 HA SER 73 -1.150 -17.069 -2.319 155 1HB SER 73 2HB SER 73 1.864 -16.713 -2.187 156 2HB SER 73 3HB SER 73 1.131 -17.810 -3.341 157 HG SER 73 HG SER 73 1.496 -15.635 -4.197 158 H LYS 74 HN LYS 74 -0.451 -19.459 -2.944 159 HA LYS 74 HA LYS 74 -0.244 -20.907 -0.411 160 1HB LYS 74 2HB LYS 74 -2.009 -21.119 -2.584 161 2HB LYS 74 3HB LYS 74 -0.953 -22.509 -2.730 162 1HG LYS 74 2HG LYS 74 -1.417 -22.540 -0.021 163 2HG LYS 74 3HG LYS 74 -2.921 -21.836 -0.582 164 1HD LYS 74 2HD LYS 74 -3.641 -23.809 -1.475 165 2HD LYS 74 3HD LYS 74 -2.103 -24.115 -2.258 166 1HE LYS 74 2HE LYS 74 -1.149 -25.008 -0.177 167 2HE LYS 74 3HE LYS 74 -2.575 -24.541 0.730 168 1HZ LYS 74 1HZ LYS 74 -2.611 -26.446 -1.506 169 2HZ LYS 74 2HZ LYS 74 -2.554 -26.876 0.068 170 3HZ LYS 74 3HZ LYS 74 -3.859 -26.087 -0.517 171 H PHE 75 HN PHE 75 1.166 -20.567 -3.698 172 HA PHE 75 HA PHE 75 3.433 -22.152 -2.716 173 1HB PHE 75 2HB PHE 75 2.209 -21.901 -5.530 174 2HB PHE 75 3HB PHE 75 3.644 -22.839 -5.164 175 HD1 PHE 75 HD1 PHE 75 3.385 -24.779 -3.491 176 HD2 PHE 75 HD2 PHE 75 0.094 -22.880 -5.382 177 HE1 PHE 75 HE1 PHE 75 1.952 -26.781 -3.007 178 HE2 PHE 75 HE2 PHE 75 -1.339 -24.883 -4.898 179 HZ PHE 75 HZ PHE 75 -0.393 -26.810 -3.717 180 H ASP 76 HN ASP 76 5.541 -21.585 -3.739 181 HA ASP 76 HA ASP 76 5.512 -18.891 -4.828 182 1HB ASP 76 2HB ASP 76 7.222 -18.140 -3.366 183 2HB ASP 76 3HB ASP 76 6.131 -19.021 -2.316 184 H LYS 77 HN LYS 77 8.181 -18.509 -5.372 185 HA LYS 77 HA LYS 77 8.764 -19.849 -7.590 186 1HB LYS 77 2HB LYS 77 10.522 -18.636 -5.478 187 2HB LYS 77 3HB LYS 77 11.256 -19.463 -6.837 188 1HG LYS 77 2HG LYS 77 9.055 -17.493 -7.435 189 2HG LYS 77 3HG LYS 77 10.604 -16.845 -6.934 190 1HD LYS 77 2HD LYS 77 11.708 -17.605 -8.842 191 2HD LYS 77 3HD LYS 77 10.657 -18.994 -9.035 192 1HE LYS 77 2HE LYS 77 8.781 -17.341 -9.661 193 2HE LYS 77 3HE LYS 77 10.009 -16.091 -9.714 194 1HZ LYS 77 1HZ LYS 77 10.950 -18.252 -11.159 195 2HZ LYS 77 2HZ LYS 77 9.415 -17.989 -11.650 196 3HZ LYS 77 3HZ LYS 77 10.513 -16.783 -11.724 197 H ASP 78 HN ASP 78 10.064 -21.685 -8.221 198 HA ASP 78 HA ASP 78 10.695 -23.756 -8.131 199 1HB ASP 78 2HB ASP 78 12.380 -23.284 -6.523 200 2HB ASP 78 3HB ASP 78 11.215 -22.954 -5.257 201 H GLY 79 HN GLY 79 7.860 -22.686 -7.127 202 1HA GLY 79 1HA GLY 79 5.885 -23.581 -6.543 203 2HA GLY 79 2HA GLY 79 6.539 -25.136 -7.020 204 H ASN 80 HN ASN 80 7.720 -22.945 -4.397 205 HA ASN 80 HA ASN 80 7.671 -25.164 -2.612 206 1HB ASN 80 2HB ASN 80 8.626 -22.291 -2.512 207 2HB ASN 80 3HB ASN 80 8.392 -23.132 -0.992 208 1HD2 ASN 80 1HD2 ASN 80 10.476 -22.514 -3.522 209 2HD2 ASN 80 2HD2 ASN 80 11.669 -23.741 -3.258 210 HA PRO 81 HA PRO 81 3.866 -24.031 -0.744 211 1HB PRO 81 2HB PRO 81 4.086 -25.229 1.702 212 2HB PRO 81 3HB PRO 81 3.639 -26.097 0.246 213 1HG PRO 81 2HG PRO 81 6.218 -26.108 1.691 214 2HG PRO 81 3HG PRO 81 5.613 -27.258 0.516 215 1HD PRO 81 2HD PRO 81 7.575 -25.215 0.066 216 2HD PRO 81 3HD PRO 81 6.886 -26.289 -1.135 217 H LEU 82 HN LEU 82 3.597 -21.875 -0.557 218 HA LEU 82 HA LEU 82 5.150 -20.157 0.770 219 1HB LEU 82 2HB LEU 82 2.491 -20.213 -0.233 220 2HB LEU 82 3HB LEU 82 2.444 -19.438 1.338 221 HG LEU 82 HG LEU 82 2.773 -17.639 -0.050 222 1HD1 LEU 82 1HD1 LEU 82 4.617 -16.749 0.831 223 2HD1 LEU 82 2HD1 LEU 82 4.904 -18.345 1.565 224 3HD1 LEU 82 3HD1 LEU 82 5.678 -17.924 0.018 225 1HD2 LEU 82 1HD2 LEU 82 4.285 -19.550 -1.789 226 2HD2 LEU 82 2HD2 LEU 82 2.947 -18.446 -2.190 227 3HD2 LEU 82 3HD2 LEU 82 4.589 -17.804 -1.946 228 HA PRO 83 HA PRO 83 4.831 -21.865 4.836 229 1HB PRO 83 2HB PRO 83 7.248 -20.960 5.734 230 2HB PRO 83 3HB PRO 83 7.040 -22.507 4.938 231 1HG PRO 83 2HG PRO 83 8.207 -20.012 3.864 232 2HG PRO 83 3HG PRO 83 8.370 -21.649 3.261 233 1HD PRO 83 2HD PRO 83 6.707 -19.579 2.178 234 2HD PRO 83 3HD PRO 83 6.784 -21.247 1.646 235 HA PRO 84 HA PRO 84 3.532 -18.513 7.087 236 1HB PRO 84 2HB PRO 84 3.913 -19.265 9.686 237 2HB PRO 84 3HB PRO 84 2.556 -19.809 8.721 238 1HG PRO 84 2HG PRO 84 4.980 -21.301 9.517 239 2HG PRO 84 3HG PRO 84 3.450 -21.924 8.934 240 1HD PRO 84 2HD PRO 84 5.889 -21.696 7.442 241 2HD PRO 84 3HD PRO 84 4.330 -22.209 6.829 Start of MODEL 18 1 HA PRO 54 HA PRO 54 1.690 0.628 -1.902 2 1HB PRO 54 2HB PRO 54 4.263 -0.141 -1.396 3 2HB PRO 54 3HB PRO 54 3.677 1.486 -1.116 4 1HG PRO 54 2HG PRO 54 4.253 -0.640 0.854 5 2HG PRO 54 3HG PRO 54 4.083 1.084 1.118 6 1HD PRO 54 2HD PRO 54 2.147 -0.944 1.722 7 2HD PRO 54 3HD PRO 54 1.934 0.789 1.877 8 HA PRO 55 HA PRO 55 1.072 -3.630 -2.800 9 1HB PRO 55 2HB PRO 55 -0.733 -3.312 -4.827 10 2HB PRO 55 3HB PRO 55 -1.201 -3.545 -3.154 11 1HG PRO 55 2HG PRO 55 -1.240 -1.065 -4.761 12 2HG PRO 55 3HG PRO 55 -2.080 -1.416 -3.264 13 1HD PRO 55 2HD PRO 55 0.278 0.188 -3.573 14 2HD PRO 55 3HD PRO 55 -0.496 -0.258 -2.066 15 H GLY 56 HN GLY 56 0.738 -4.555 -5.373 16 1HA GLY 56 1HA GLY 56 1.716 -4.449 -7.477 17 2HA GLY 56 2HA GLY 56 2.827 -3.213 -6.921 18 H LEU 57 HN LEU 57 4.437 -4.676 -8.069 19 HA LEU 57 HA LEU 57 5.011 -7.237 -7.265 20 1HB LEU 57 2HB LEU 57 5.922 -5.850 -9.198 21 2HB LEU 57 3HB LEU 57 7.076 -5.191 -8.056 22 HG LEU 57 HG LEU 57 8.257 -7.162 -7.871 23 1HD1 LEU 57 1HD1 LEU 57 7.310 -9.403 -8.583 24 2HD1 LEU 57 2HD1 LEU 57 6.592 -8.668 -7.129 25 3HD1 LEU 57 3HD1 LEU 57 5.725 -8.599 -8.683 26 1HD2 LEU 57 1HD2 LEU 57 7.548 -8.082 -10.519 27 2HD2 LEU 57 2HD2 LEU 57 7.616 -6.304 -10.460 28 3HD2 LEU 57 3HD2 LEU 57 9.024 -7.267 -9.951 29 H CYS 58 HN CYS 58 5.185 -7.924 -5.192 30 HA CYS 58 HA CYS 58 5.666 -6.499 -2.993 31 1HB CYS 58 2HB CYS 58 5.074 -8.877 -2.971 32 2HB CYS 58 3HB CYS 58 6.674 -9.311 -3.539 33 HA PRO 59 HA PRO 59 9.795 -5.162 -4.007 34 1HB PRO 59 2HB PRO 59 9.772 -2.891 -2.487 35 2HB PRO 59 3HB PRO 59 9.233 -2.934 -4.154 36 1HG PRO 59 2HG PRO 59 7.613 -2.791 -1.685 37 2HG PRO 59 3HG PRO 59 7.143 -2.412 -3.330 38 1HD PRO 59 2HD PRO 59 6.473 -4.779 -1.855 39 2HD PRO 59 3HD PRO 59 6.102 -4.452 -3.536 40 H ARG 60 HN ARG 60 8.511 -6.607 -1.430 41 HA ARG 60 HA ARG 60 10.711 -6.066 0.317 42 1HB ARG 60 2HB ARG 60 8.029 -7.202 0.539 43 2HB ARG 60 3HB ARG 60 9.187 -8.289 1.280 44 1HG ARG 60 2HG ARG 60 9.554 -5.388 1.920 45 2HG ARG 60 3HG ARG 60 8.094 -6.121 2.557 46 1HD ARG 60 2HD ARG 60 9.539 -6.664 4.290 47 2HD ARG 60 3HD ARG 60 9.805 -8.072 3.281 48 HE ARG 60 HE ARG 60 11.611 -6.062 2.402 49 1HH1 ARG 60 1HH1 ARG 60 14.281 -6.890 4.490 50 2HH1 ARG 60 2HH1 ARG 60 13.802 -6.053 3.052 51 1HH2 ARG 60 1HH2 ARG 60 12.699 -8.020 5.758 52 2HH2 ARG 60 2HH2 ARG 60 11.038 -8.026 5.264 53 H CYS 61 HN CYS 61 9.190 -9.081 -1.069 54 HA CYS 61 HA CYS 61 11.749 -10.412 -0.782 55 1HB CYS 61 2HB CYS 61 10.580 -12.461 -1.087 56 2HB CYS 61 3HB CYS 61 9.607 -11.487 -0.003 57 H LYS 62 HN LYS 62 9.361 -9.256 -3.205 58 HA LYS 62 HA LYS 62 9.539 -8.855 -5.370 59 1HB LYS 62 2HB LYS 62 12.325 -8.761 -4.472 60 2HB LYS 62 3HB LYS 62 12.178 -9.220 -6.156 61 1HG LYS 62 2HG LYS 62 11.466 -7.141 -6.785 62 2HG LYS 62 3HG LYS 62 10.347 -7.017 -5.442 63 1HD LYS 62 2HD LYS 62 11.782 -5.492 -4.555 64 2HD LYS 62 3HD LYS 62 12.826 -6.845 -4.169 65 1HE LYS 62 2HE LYS 62 14.304 -6.381 -5.883 66 2HE LYS 62 3HE LYS 62 13.038 -5.872 -6.983 67 1HZ LYS 62 1HZ LYS 62 12.867 -3.901 -5.360 68 2HZ LYS 62 2HZ LYS 62 14.383 -4.322 -4.923 69 3HZ LYS 62 3HZ LYS 62 14.061 -3.921 -6.473 70 H LYS 63 HN LYS 63 8.505 -11.253 -4.705 71 HA LYS 63 HA LYS 63 9.561 -12.947 -6.834 72 1HB LYS 63 2HB LYS 63 9.571 -13.565 -3.956 73 2HB LYS 63 3HB LYS 63 8.800 -14.795 -4.937 74 1HG LYS 63 2HG LYS 63 10.763 -15.389 -5.984 75 2HG LYS 63 3HG LYS 63 11.335 -13.736 -6.085 76 1HD LYS 63 2HD LYS 63 11.343 -14.278 -3.319 77 2HD LYS 63 3HD LYS 63 11.890 -15.780 -4.039 78 1HE LYS 63 2HE LYS 63 13.103 -13.285 -5.170 79 2HE LYS 63 3HE LYS 63 13.544 -13.660 -3.516 80 1HZ LYS 63 1HZ LYS 63 14.761 -15.360 -4.198 81 2HZ LYS 63 2HZ LYS 63 13.616 -15.938 -5.209 82 3HZ LYS 63 3HZ LYS 63 14.632 -14.762 -5.712 83 H GLY 64 HN GLY 64 7.198 -11.008 -6.096 84 1HA GLY 64 1HA GLY 64 5.253 -12.040 -7.681 85 2HA GLY 64 2HA GLY 64 4.900 -12.745 -6.116 86 H TYR 65 HN TYR 65 3.265 -10.797 -7.598 87 HA TYR 65 HA TYR 65 3.645 -8.264 -6.293 88 1HB TYR 65 2HB TYR 65 1.469 -9.595 -8.022 89 2HB TYR 65 3HB TYR 65 1.387 -7.912 -7.539 90 HD1 TYR 65 HD1 TYR 65 2.672 -6.226 -8.664 91 HD2 TYR 65 HD2 TYR 65 3.281 -10.361 -9.578 92 HE1 TYR 65 HE1 TYR 65 4.041 -5.580 -10.707 93 HE2 TYR 65 HE2 TYR 65 4.648 -9.701 -11.618 94 HH TYR 65 HH TYR 65 4.856 -6.358 -12.644 95 H HIS 66 HN HIS 66 2.861 -7.680 -4.332 96 HA HIS 66 HA HIS 66 0.338 -8.240 -3.430 97 1HB HIS 66 2HB HIS 66 0.854 -9.906 -1.606 98 2HB HIS 66 3HB HIS 66 0.764 -10.545 -3.235 99 HD1 HIS 66 HD1 HIS 66 2.712 -11.935 -3.998 100 HD2 HIS 66 HD2 HIS 66 3.679 -9.493 -0.727 101 HE1 HIS 66 HE1 HIS 66 5.077 -12.584 -3.296 102 H TRP 67 HN TRP 67 0.221 -7.815 -0.904 103 HA TRP 67 HA TRP 67 1.750 -5.438 -0.483 104 1HB TRP 67 2HB TRP 67 -0.415 -6.889 1.004 105 2HB TRP 67 3HB TRP 67 0.491 -5.611 1.790 106 HD1 TRP 67 HD1 TRP 67 -1.849 -6.091 -1.278 107 HE1 TRP 67 HE1 TRP 67 -3.031 -3.820 -1.918 108 HE3 TRP 67 HE3 TRP 67 0.694 -3.219 2.060 109 HZ2 TRP 67 HZ2 TRP 67 -2.777 -1.138 -0.977 110 HZ3 TRP 67 HZ3 TRP 67 0.166 -0.784 2.135 111 HH2 TRP 67 HH2 TRP 67 -1.502 0.263 0.687 112 H LYS 68 HN LYS 68 3.305 -5.097 1.226 113 HA LYS 68 HA LYS 68 5.164 -7.088 1.543 114 1HB LYS 68 2HB LYS 68 6.136 -5.655 3.271 115 2HB LYS 68 3HB LYS 68 5.642 -4.725 1.871 116 1HG LYS 68 2HG LYS 68 3.482 -4.157 3.061 117 2HG LYS 68 3HG LYS 68 4.071 -5.006 4.477 118 1HD LYS 68 2HD LYS 68 5.080 -3.083 5.129 119 2HD LYS 68 3HD LYS 68 6.189 -3.269 3.785 120 1HE LYS 68 2HE LYS 68 4.096 -2.195 2.428 121 2HE LYS 68 3HE LYS 68 3.749 -1.525 4.009 122 1HZ LYS 68 1HZ LYS 68 5.961 -0.985 2.256 123 2HZ LYS 68 2HZ LYS 68 5.202 0.003 3.311 124 3HZ LYS 68 3HZ LYS 68 6.330 -1.049 3.845 125 H SER 69 HN SER 69 2.515 -6.089 3.807 126 HA SER 69 HA SER 69 3.182 -8.051 5.685 127 1HB SER 69 2HB SER 69 0.962 -7.498 6.681 128 2HB SER 69 3HB SER 69 1.906 -6.066 6.319 129 HG SER 69 HG SER 69 0.547 -5.504 4.691 130 H GLU 70 HN GLU 70 1.461 -8.081 2.639 131 HA GLU 70 HA GLU 70 0.018 -10.473 3.312 132 1HB GLU 70 2HB GLU 70 0.194 -8.774 0.793 133 2HB GLU 70 3HB GLU 70 -0.706 -10.277 0.848 134 1HG GLU 70 2HG GLU 70 -1.177 -8.010 2.833 135 2HG GLU 70 3HG GLU 70 -2.048 -8.131 1.318 136 H CYS 71 HN CYS 71 3.184 -9.760 2.543 137 HA CYS 71 HA CYS 71 3.821 -11.489 0.493 138 1HB CYS 71 2HB CYS 71 5.386 -9.826 1.351 139 2HB CYS 71 3HB CYS 71 5.481 -10.653 2.893 140 H LYS 72 HN LYS 72 3.492 -13.682 0.373 141 HA LYS 72 HA LYS 72 3.432 -15.150 2.915 142 1HB LYS 72 2HB LYS 72 1.352 -14.996 1.378 143 2HB LYS 72 3HB LYS 72 2.211 -16.102 0.326 144 1HG LYS 72 2HG LYS 72 2.529 -17.221 2.899 145 2HG LYS 72 3HG LYS 72 0.879 -16.632 2.895 146 1HD LYS 72 2HD LYS 72 0.213 -18.063 1.167 147 2HD LYS 72 3HD LYS 72 1.814 -18.136 0.458 148 1HE LYS 72 2HE LYS 72 2.149 -20.110 1.523 149 2HE LYS 72 3HE LYS 72 2.113 -19.255 3.052 150 1HZ LYS 72 1HZ LYS 72 0.259 -20.338 3.466 151 2HZ LYS 72 2HZ LYS 72 -0.497 -19.516 2.275 152 3HZ LYS 72 3HZ LYS 72 0.182 -20.967 1.961 153 H SER 73 HN SER 73 5.669 -14.271 0.827 154 HA SER 73 HA SER 73 6.580 -16.710 -0.212 155 1HB SER 73 2HB SER 73 7.297 -13.944 -0.351 156 2HB SER 73 3HB SER 73 8.733 -14.803 0.170 157 HG SER 73 HG SER 73 8.554 -14.688 -2.166 158 H LYS 74 HN LYS 74 8.884 -17.576 0.394 159 HA LYS 74 HA LYS 74 8.854 -18.016 3.256 160 1HB LYS 74 2HB LYS 74 9.961 -19.392 0.863 161 2HB LYS 74 3HB LYS 74 10.881 -19.553 2.345 162 1HG LYS 74 2HG LYS 74 9.413 -21.136 3.032 163 2HG LYS 74 3HG LYS 74 8.178 -19.898 3.133 164 1HD LYS 74 2HD LYS 74 8.279 -20.435 0.390 165 2HD LYS 74 3HD LYS 74 8.556 -22.014 1.098 166 1HE LYS 74 2HE LYS 74 6.372 -22.200 1.693 167 2HE LYS 74 3HE LYS 74 6.429 -20.682 2.567 168 1HZ LYS 74 1HZ LYS 74 5.897 -21.052 -0.293 169 2HZ LYS 74 2HZ LYS 74 4.887 -20.445 0.838 170 3HZ LYS 74 3HZ LYS 74 6.195 -19.587 0.366 171 H PHE 75 HN PHE 75 11.053 -16.741 0.682 172 HA PHE 75 HA PHE 75 12.548 -15.441 2.849 173 1HB PHE 75 2HB PHE 75 13.314 -16.936 0.313 174 2HB PHE 75 3HB PHE 75 14.347 -15.607 0.803 175 HD1 PHE 75 HD1 PHE 75 16.058 -15.992 2.322 176 HD2 PHE 75 HD2 PHE 75 12.823 -18.733 2.144 177 HE1 PHE 75 HE1 PHE 75 17.258 -17.513 3.919 178 HE2 PHE 75 HE2 PHE 75 14.023 -20.254 3.740 179 HZ PHE 75 HZ PHE 75 16.226 -19.625 4.609 180 H ASP 76 HN ASP 76 13.567 -13.356 2.251 181 HA ASP 76 HA ASP 76 12.245 -12.143 -0.040 182 1HB ASP 76 2HB ASP 76 11.671 -10.197 1.200 183 2HB ASP 76 3HB ASP 76 11.233 -11.526 2.256 184 H LYS 77 HN LYS 77 13.425 -9.647 -0.056 185 HA LYS 77 HA LYS 77 15.843 -9.907 -1.133 186 1HB LYS 77 2HB LYS 77 14.442 -7.828 -0.947 187 2HB LYS 77 3HB LYS 77 15.075 -7.595 0.670 188 1HG LYS 77 2HG LYS 77 17.440 -7.847 -0.504 189 2HG LYS 77 3HG LYS 77 16.557 -7.485 -1.973 190 1HD LYS 77 2HD LYS 77 15.671 -5.387 -0.900 191 2HD LYS 77 3HD LYS 77 16.609 -5.743 0.537 192 1HE LYS 77 2HE LYS 77 18.693 -5.791 -0.992 193 2HE LYS 77 3HE LYS 77 17.674 -5.127 -2.253 194 1HZ LYS 77 1HZ LYS 77 18.770 -3.836 0.014 195 2HZ LYS 77 2HZ LYS 77 18.154 -3.185 -1.352 196 3HZ LYS 77 3HZ LYS 77 17.164 -3.565 -0.110 197 H ASP 78 HN ASP 78 18.070 -9.721 -0.465 198 HA ASP 78 HA ASP 78 19.787 -10.182 0.775 199 1HB ASP 78 2HB ASP 78 19.307 -8.393 2.270 200 2HB ASP 78 3HB ASP 78 17.889 -9.192 2.920 201 H GLY 79 HN GLY 79 17.227 -12.065 0.455 202 1HA GLY 79 1HA GLY 79 16.681 -14.188 0.946 203 2HA GLY 79 2HA GLY 79 18.346 -14.414 1.442 204 H ASN 80 HN ASN 80 15.794 -12.242 2.826 205 HA ASN 80 HA ASN 80 16.459 -13.261 5.416 206 1HB ASN 80 2HB ASN 80 14.767 -11.000 4.321 207 2HB ASN 80 3HB ASN 80 14.448 -11.545 5.956 208 1HD2 ASN 80 1HD2 ASN 80 16.319 -9.590 3.987 209 2HD2 ASN 80 2HD2 ASN 80 17.576 -9.144 5.092 210 HA PRO 81 HA PRO 81 12.983 -15.946 5.470 211 1HB PRO 81 2HB PRO 81 12.811 -16.471 8.146 212 2HB PRO 81 3HB PRO 81 13.942 -17.282 7.081 213 1HG PRO 81 2HG PRO 81 14.465 -15.158 9.069 214 2HG PRO 81 3HG PRO 81 15.600 -16.262 8.317 215 1HD PRO 81 2HD PRO 81 15.211 -13.494 7.670 216 2HD PRO 81 3HD PRO 81 16.261 -14.627 6.841 217 H LEU 82 HN LEU 82 11.110 -15.111 4.766 218 HA LEU 82 HA LEU 82 9.928 -12.875 5.635 219 1HB LEU 82 2HB LEU 82 8.940 -15.422 4.477 220 2HB LEU 82 3HB LEU 82 7.734 -14.347 5.155 221 HG LEU 82 HG LEU 82 8.034 -14.031 2.736 222 1HD1 LEU 82 1HD1 LEU 82 7.151 -12.136 3.738 223 2HD1 LEU 82 2HD1 LEU 82 8.654 -11.771 4.619 224 3HD1 LEU 82 3HD1 LEU 82 8.562 -11.495 2.863 225 1HD2 LEU 82 1HD2 LEU 82 10.420 -14.621 2.605 226 2HD2 LEU 82 2HD2 LEU 82 10.062 -13.070 1.809 227 3HD2 LEU 82 3HD2 LEU 82 10.834 -13.090 3.413 228 HA PRO 83 HA PRO 83 8.588 -13.493 9.690 229 1HB PRO 83 2HB PRO 83 6.560 -11.671 9.880 230 2HB PRO 83 3HB PRO 83 8.253 -11.236 10.002 231 1HG PRO 83 2HG PRO 83 6.391 -10.816 7.746 232 2HG PRO 83 3HG PRO 83 7.926 -10.033 8.062 233 1HD PRO 83 2HD PRO 83 7.420 -12.110 6.149 234 2HD PRO 83 3HD PRO 83 8.976 -11.409 6.548 235 HA PRO 84 HA PRO 84 5.352 -16.231 9.839 236 1HB PRO 84 2HB PRO 84 4.808 -16.346 12.515 237 2HB PRO 84 3HB PRO 84 6.129 -17.221 11.767 238 1HG PRO 84 2HG PRO 84 6.229 -14.779 13.431 239 2HG PRO 84 3HG PRO 84 7.524 -15.894 13.037 240 1HD PRO 84 2HD PRO 84 7.085 -13.300 11.893 241 2HD PRO 84 3HD PRO 84 8.308 -14.461 11.419 Start of MODEL 19 1 HA PRO 54 HA PRO 54 1.690 0.628 -1.902 2 1HB PRO 54 2HB PRO 54 4.263 -0.141 -1.396 3 2HB PRO 54 3HB PRO 54 3.677 1.486 -1.116 4 1HG PRO 54 2HG PRO 54 4.253 -0.640 0.854 5 2HG PRO 54 3HG PRO 54 4.083 1.084 1.118 6 1HD PRO 54 2HD PRO 54 2.147 -0.944 1.722 7 2HD PRO 54 3HD PRO 54 1.934 0.789 1.877 8 HA PRO 55 HA PRO 55 1.799 -3.170 -3.800 9 1HB PRO 55 2HB PRO 55 3.642 -2.953 -5.806 10 2HB PRO 55 3HB PRO 55 2.019 -2.301 -5.921 11 1HG PRO 55 2HG PRO 55 4.566 -0.867 -5.478 12 2HG PRO 55 3HG PRO 55 3.024 -0.227 -6.013 13 1HD PRO 55 2HD PRO 55 4.160 0.003 -3.389 14 2HD PRO 55 3HD PRO 55 2.570 0.540 -3.894 15 H GLY 56 HN GLY 56 2.477 -5.243 -3.534 16 1HA GLY 56 1HA GLY 56 5.303 -5.513 -2.737 17 2HA GLY 56 2HA GLY 56 4.031 -6.140 -1.707 18 H LEU 57 HN LEU 57 5.486 -8.157 -2.282 19 HA LEU 57 HA LEU 57 5.322 -9.270 -4.837 20 1HB LEU 57 2HB LEU 57 6.900 -9.830 -2.947 21 2HB LEU 57 3HB LEU 57 5.596 -10.750 -2.222 22 HG LEU 57 HG LEU 57 5.520 -12.244 -4.152 23 1HD1 LEU 57 1HD1 LEU 57 6.103 -10.752 -5.942 24 2HD1 LEU 57 2HD1 LEU 57 7.731 -10.501 -5.268 25 3HD1 LEU 57 3HD1 LEU 57 7.272 -12.094 -5.914 26 1HD2 LEU 57 1HD2 LEU 57 8.341 -12.560 -3.832 27 2HD2 LEU 57 2HD2 LEU 57 7.648 -12.022 -2.283 28 3HD2 LEU 57 3HD2 LEU 57 7.014 -13.480 -3.082 29 H CYS 58 HN CYS 58 3.813 -10.531 -5.875 30 HA CYS 58 HA CYS 58 1.194 -10.495 -4.740 31 1HB CYS 58 2HB CYS 58 1.588 -10.073 -7.147 32 2HB CYS 58 3HB CYS 58 2.180 -11.710 -7.342 33 HA PRO 59 HA PRO 59 1.943 -14.461 -2.939 34 1HB PRO 59 2HB PRO 59 -0.289 -14.538 -1.363 35 2HB PRO 59 3HB PRO 59 1.214 -13.789 -0.861 36 1HG PRO 59 2HG PRO 59 -1.296 -12.499 -1.740 37 2HG PRO 59 3HG PRO 59 0.041 -11.803 -0.847 38 1HD PRO 59 2HD PRO 59 -0.541 -11.433 -3.631 39 2HD PRO 59 3HD PRO 59 0.859 -10.833 -2.764 40 H ARG 60 HN ARG 60 -0.038 -13.593 -5.318 41 HA ARG 60 HA ARG 60 -1.477 -16.100 -5.260 42 1HB ARG 60 2HB ARG 60 -2.013 -13.432 -6.283 43 2HB ARG 60 3HB ARG 60 -2.108 -14.568 -7.614 44 1HG ARG 60 2HG ARG 60 -3.423 -15.606 -5.187 45 2HG ARG 60 3HG ARG 60 -4.109 -14.076 -5.699 46 1HD ARG 60 2HD ARG 60 -4.898 -14.937 -7.720 47 2HD ARG 60 3HD ARG 60 -3.602 -16.109 -7.857 48 HE ARG 60 HE ARG 60 -5.115 -16.873 -5.595 49 1HH1 ARG 60 1HH1 ARG 60 -7.479 -18.872 -7.206 50 2HH1 ARG 60 2HH1 ARG 60 -6.728 -18.489 -5.693 51 1HH2 ARG 60 1HH2 ARG 60 -6.847 -17.744 -9.134 52 2HH2 ARG 60 2HH2 ARG 60 -5.625 -16.519 -9.059 53 H CYS 61 HN CYS 61 0.104 -14.074 -7.849 54 HA CYS 61 HA CYS 61 0.711 -16.429 -9.345 55 1HB CYS 61 2HB CYS 61 1.687 -14.874 -10.978 56 2HB CYS 61 3HB CYS 61 0.069 -14.388 -10.510 57 H LYS 62 HN LYS 62 2.320 -14.152 -7.110 58 HA LYS 62 HA LYS 62 4.359 -14.066 -6.256 59 1HB LYS 62 2HB LYS 62 5.207 -16.075 -5.328 60 2HB LYS 62 3HB LYS 62 3.461 -16.228 -5.334 61 1HG LYS 62 2HG LYS 62 3.459 -17.791 -7.102 62 2HG LYS 62 3HG LYS 62 5.010 -17.256 -7.719 63 1HD LYS 62 2HD LYS 62 6.220 -18.353 -5.951 64 2HD LYS 62 3HD LYS 62 4.775 -18.567 -4.983 65 1HE LYS 62 2HE LYS 62 4.598 -19.803 -7.682 66 2HE LYS 62 3HE LYS 62 5.860 -20.485 -6.675 67 1HZ LYS 62 1HZ LYS 62 3.286 -21.147 -6.532 68 2HZ LYS 62 2HZ LYS 62 4.361 -21.381 -5.325 69 3HZ LYS 62 3HZ LYS 62 3.387 -20.071 -5.308 70 H LYS 63 HN LYS 63 4.094 -13.703 -9.157 71 HA LYS 63 HA LYS 63 6.813 -14.531 -9.897 72 1HB LYS 63 2HB LYS 63 4.276 -14.610 -11.529 73 2HB LYS 63 3HB LYS 63 5.847 -14.500 -12.296 74 1HG LYS 63 2HG LYS 63 6.531 -16.539 -10.840 75 2HG LYS 63 3HG LYS 63 4.827 -16.713 -10.467 76 1HD LYS 63 2HD LYS 63 4.259 -17.036 -12.815 77 2HD LYS 63 3HD LYS 63 5.873 -16.584 -13.330 78 1HE LYS 63 2HE LYS 63 6.842 -18.590 -12.344 79 2HE LYS 63 3HE LYS 63 5.348 -18.982 -11.517 80 1HZ LYS 63 1HZ LYS 63 4.392 -19.680 -13.433 81 2HZ LYS 63 2HZ LYS 63 5.275 -18.709 -14.404 82 3HZ LYS 63 3HZ LYS 63 5.942 -20.061 -13.778 83 H GLY 64 HN GLY 64 5.757 -12.101 -8.494 84 1HA GLY 64 1HA GLY 64 7.287 -10.142 -9.541 85 2HA GLY 64 2HA GLY 64 5.810 -9.995 -10.473 86 H TYR 65 HN TYR 65 6.517 -7.858 -8.893 87 HA TYR 65 HA TYR 65 4.982 -8.141 -6.419 88 1HB TYR 65 2HB TYR 65 7.023 -6.235 -7.668 89 2HB TYR 65 3HB TYR 65 6.041 -5.658 -6.337 90 HD1 TYR 65 HD1 TYR 65 8.365 -8.443 -7.263 91 HD2 TYR 65 HD2 TYR 65 6.723 -6.038 -4.128 92 HE1 TYR 65 HE1 TYR 65 9.990 -9.481 -5.605 93 HE2 TYR 65 HE2 TYR 65 8.353 -7.085 -2.481 94 HH TYR 65 HH TYR 65 10.853 -8.246 -2.916 95 H HIS 66 HN HIS 66 2.862 -7.600 -6.463 96 HA HIS 66 HA HIS 66 1.994 -5.133 -7.372 97 1HB HIS 66 2HB HIS 66 0.658 -5.769 -9.336 98 2HB HIS 66 3HB HIS 66 2.381 -5.911 -9.617 99 HD1 HIS 66 HD1 HIS 66 2.907 -7.936 -10.962 100 HD2 HIS 66 HD2 HIS 66 -0.326 -8.579 -8.368 101 HE1 HIS 66 HE1 HIS 66 2.160 -10.347 -11.335 102 H TRP 67 HN TRP 67 -0.383 -4.886 -7.073 103 HA TRP 67 HA TRP 67 -1.241 -6.488 -4.887 104 1HB TRP 67 2HB TRP 67 -2.504 -4.257 -6.472 105 2HB TRP 67 3HB TRP 67 -3.354 -5.093 -5.187 106 HD1 TRP 67 HD1 TRP 67 -0.379 -2.687 -5.700 107 HE1 TRP 67 HE1 TRP 67 0.295 -1.509 -3.437 108 HE3 TRP 67 HE3 TRP 67 -3.457 -5.446 -2.738 109 HZ2 TRP 67 HZ2 TRP 67 -0.517 -1.855 -0.723 110 HZ3 TRP 67 HZ3 TRP 67 -3.456 -4.962 -0.292 111 HH2 TRP 67 HH2 TRP 67 -2.053 -3.237 0.724 112 H LYS 68 HN LYS 68 -3.122 -7.900 -4.850 113 HA LYS 68 HA LYS 68 -3.240 -9.728 -6.875 114 1HB LYS 68 2HB LYS 68 -5.459 -9.019 -4.932 115 2HB LYS 68 3HB LYS 68 -5.288 -10.529 -5.804 116 1HG LYS 68 2HG LYS 68 -3.755 -11.329 -4.322 117 2HG LYS 68 3HG LYS 68 -2.808 -9.856 -4.386 118 1HD LYS 68 2HD LYS 68 -4.943 -8.940 -2.951 119 2HD LYS 68 3HD LYS 68 -4.998 -10.629 -2.487 120 1HE LYS 68 2HE LYS 68 -2.249 -9.923 -2.349 121 2HE LYS 68 3HE LYS 68 -3.103 -8.553 -1.666 122 1HZ LYS 68 1HZ LYS 68 -3.364 -11.356 -0.834 123 2HZ LYS 68 2HZ LYS 68 -2.707 -10.134 0.026 124 3HZ LYS 68 3HZ LYS 68 -4.313 -10.152 -0.270 125 H SER 69 HN SER 69 -5.469 -6.922 -6.297 126 HA SER 69 HA SER 69 -6.979 -7.432 -8.578 127 1HB SER 69 2HB SER 69 -8.005 -6.063 -6.950 128 2HB SER 69 3HB SER 69 -6.588 -5.050 -6.758 129 HG SER 69 HG SER 69 -8.683 -4.875 -8.622 130 H GLU 70 HN GLU 70 -3.861 -5.892 -8.027 131 HA GLU 70 HA GLU 70 -3.941 -4.508 -10.536 132 1HB GLU 70 2HB GLU 70 -1.860 -4.794 -8.341 133 2HB GLU 70 3HB GLU 70 -1.478 -4.014 -9.863 134 1HG GLU 70 2HG GLU 70 -3.984 -3.132 -8.440 135 2HG GLU 70 3HG GLU 70 -2.449 -2.639 -7.753 136 H CYS 71 HN CYS 71 -3.343 -7.687 -9.464 137 HA CYS 71 HA CYS 71 -1.134 -8.506 -10.824 138 1HB CYS 71 2HB CYS 71 -2.478 -9.909 -9.278 139 2HB CYS 71 3HB CYS 71 -3.725 -10.056 -10.499 140 H LYS 72 HN LYS 72 -0.588 -8.377 -12.973 141 HA LYS 72 HA LYS 72 -2.807 -8.187 -14.886 142 1HB LYS 72 2HB LYS 72 -1.294 -6.923 -16.315 143 2HB LYS 72 3HB LYS 72 -1.456 -6.155 -14.749 144 1HG LYS 72 2HG LYS 72 0.712 -7.963 -14.451 145 2HG LYS 72 3HG LYS 72 0.940 -7.245 -16.033 146 1HD LYS 72 2HD LYS 72 0.228 -5.040 -14.474 147 2HD LYS 72 3HD LYS 72 1.169 -6.004 -13.353 148 1HE LYS 72 2HE LYS 72 2.436 -5.917 -16.006 149 2HE LYS 72 3HE LYS 72 2.177 -4.304 -15.374 150 1HZ LYS 72 1HZ LYS 72 3.369 -4.854 -13.438 151 2HZ LYS 72 2HZ LYS 72 3.417 -6.446 -13.798 152 3HZ LYS 72 3HZ LYS 72 4.276 -5.381 -14.690 153 H SER 73 HN SER 73 -1.078 -10.512 -13.543 154 HA SER 73 HA SER 73 0.190 -11.632 -15.816 155 1HB SER 73 2HB SER 73 -0.238 -12.371 -12.955 156 2HB SER 73 3HB SER 73 -0.030 -13.720 -14.053 157 HG SER 73 HG SER 73 2.009 -12.958 -14.663 158 H LYS 74 HN LYS 74 -0.426 -13.905 -16.623 159 HA LYS 74 HA LYS 74 -3.304 -13.930 -17.046 160 1HB LYS 74 2HB LYS 74 -1.117 -14.296 -18.728 161 2HB LYS 74 3HB LYS 74 -1.720 -15.923 -18.485 162 1HG LYS 74 2HG LYS 74 -3.322 -15.462 -20.025 163 2HG LYS 74 3HG LYS 74 -4.064 -14.411 -18.834 164 1HD LYS 74 2HD LYS 74 -3.366 -12.500 -19.893 165 2HD LYS 74 3HD LYS 74 -1.775 -13.149 -20.234 166 1HE LYS 74 2HE LYS 74 -3.628 -14.648 -21.831 167 2HE LYS 74 3HE LYS 74 -4.073 -12.962 -22.001 168 1HZ LYS 74 1HZ LYS 74 -1.749 -14.304 -22.932 169 2HZ LYS 74 2HZ LYS 74 -2.411 -12.900 -23.440 170 3HZ LYS 74 3HZ LYS 74 -1.394 -12.908 -22.162 171 H PHE 75 HN PHE 75 -0.626 -15.844 -15.635 172 HA PHE 75 HA PHE 75 -2.684 -17.585 -14.478 173 1HB PHE 75 2HB PHE 75 0.176 -18.286 -15.373 174 2HB PHE 75 3HB PHE 75 -0.995 -19.427 -14.743 175 HD1 PHE 75 HD1 PHE 75 0.489 -18.308 -17.649 176 HD2 PHE 75 HD2 PHE 75 -3.333 -19.346 -16.124 177 HE1 PHE 75 HE1 PHE 75 -0.316 -18.770 -19.981 178 HE2 PHE 75 HE2 PHE 75 -4.137 -19.808 -18.456 179 HZ PHE 75 HZ PHE 75 -2.620 -19.514 -20.357 180 H ASP 76 HN ASP 76 -1.931 -18.681 -12.422 181 HA ASP 76 HA ASP 76 0.114 -17.087 -11.106 182 1HB ASP 76 2HB ASP 76 -1.326 -17.200 -9.011 183 2HB ASP 76 3HB ASP 76 -1.953 -16.166 -10.279 184 H LYS 77 HN LYS 77 0.258 -18.334 -8.655 185 HA LYS 77 HA LYS 77 1.642 -20.582 -8.966 186 1HB LYS 77 2HB LYS 77 1.308 -21.027 -6.659 187 2HB LYS 77 3HB LYS 77 1.248 -19.286 -6.850 188 1HG LYS 77 2HG LYS 77 -1.377 -19.722 -7.137 189 2HG LYS 77 3HG LYS 77 -1.014 -21.212 -6.290 190 1HD LYS 77 2HD LYS 77 0.280 -19.625 -4.601 191 2HD LYS 77 3HD LYS 77 -0.703 -18.360 -5.313 192 1HE LYS 77 2HE LYS 77 -2.446 -18.982 -4.003 193 2HE LYS 77 3HE LYS 77 -2.473 -20.550 -4.785 194 1HZ LYS 77 1HZ LYS 77 -2.054 -20.411 -2.289 195 2HZ LYS 77 2HZ LYS 77 -1.146 -21.447 -3.166 196 3HZ LYS 77 3HZ LYS 77 -0.520 -20.016 -2.686 197 H ASP 78 HN ASP 78 1.257 -22.888 -8.818 198 HA ASP 78 HA ASP 78 0.256 -24.738 -9.342 199 1HB ASP 78 2HB ASP 78 -1.348 -24.502 -7.609 200 2HB ASP 78 3HB ASP 78 -2.126 -23.136 -8.382 201 H GLY 79 HN GLY 79 0.305 -22.115 -11.174 202 1HA GLY 79 1HA GLY 79 -0.169 -21.606 -13.309 203 2HA GLY 79 2HA GLY 79 -0.460 -23.314 -13.571 204 H ASN 80 HN ASN 80 -2.230 -21.098 -11.330 205 HA ASN 80 HA ASN 80 -4.678 -22.010 -12.455 206 1HB ASN 80 2HB ASN 80 -3.853 -20.204 -10.168 207 2HB ASN 80 3HB ASN 80 -5.501 -20.085 -10.752 208 1HD2 ASN 80 1HD2 ASN 80 -3.378 -21.696 -8.737 209 2HD2 ASN 80 2HD2 ASN 80 -4.328 -23.084 -8.324 210 HA PRO 81 HA PRO 81 -5.209 -18.542 -15.090 211 1HB PRO 81 2HB PRO 81 -7.923 -18.503 -15.403 212 2HB PRO 81 3HB PRO 81 -6.873 -19.594 -16.284 213 1HG PRO 81 2HG PRO 81 -8.660 -20.180 -14.003 214 2HG PRO 81 3HG PRO 81 -7.944 -21.294 -15.151 215 1HD PRO 81 2HD PRO 81 -7.100 -20.835 -12.448 216 2HD PRO 81 3HD PRO 81 -6.314 -21.861 -13.631 217 H LEU 82 HN LEU 82 -4.458 -16.693 -14.198 218 HA LEU 82 HA LEU 82 -5.292 -15.521 -11.949 219 1HB LEU 82 2HB LEU 82 -3.829 -14.781 -14.250 220 2HB LEU 82 3HB LEU 82 -4.953 -13.474 -13.936 221 HG LEU 82 HG LEU 82 -3.147 -12.787 -12.711 222 1HD1 LEU 82 1HD1 LEU 82 -5.254 -13.221 -11.270 223 2HD1 LEU 82 2HD1 LEU 82 -4.288 -14.525 -10.537 224 3HD1 LEU 82 3HD1 LEU 82 -3.714 -12.842 -10.461 225 1HD2 LEU 82 1HD2 LEU 82 -1.758 -14.415 -11.302 226 2HD2 LEU 82 2HD2 LEU 82 -2.576 -15.706 -12.214 227 3HD2 LEU 82 3HD2 LEU 82 -1.589 -14.498 -13.072 228 HA PRO 83 HA PRO 83 -9.539 -14.865 -12.991 229 1HB PRO 83 2HB PRO 83 -10.488 -14.905 -10.429 230 2HB PRO 83 3HB PRO 83 -10.342 -16.344 -11.420 231 1HG PRO 83 2HG PRO 83 -8.640 -15.463 -9.169 232 2HG PRO 83 3HG PRO 83 -8.779 -17.058 -9.882 233 1HD PRO 83 2HD PRO 83 -6.648 -15.181 -10.279 234 2HD PRO 83 3HD PRO 83 -6.846 -16.726 -11.081 235 HA PRO 84 HA PRO 84 -9.848 -10.678 -12.390 236 1HB PRO 84 2HB PRO 84 -12.521 -10.219 -12.729 237 2HB PRO 84 3HB PRO 84 -11.408 -10.433 -14.066 238 1HG PRO 84 2HG PRO 84 -13.409 -12.329 -12.999 239 2HG PRO 84 3HG PRO 84 -12.605 -12.343 -14.556 240 1HD PRO 84 2HD PRO 84 -12.010 -14.014 -12.301 241 2HD PRO 84 3HD PRO 84 -11.132 -13.947 -13.816 Start of MODEL 20 1 HA PRO 54 HA PRO 54 1.690 0.628 -1.902 2 1HB PRO 54 2HB PRO 54 4.263 -0.141 -1.396 3 2HB PRO 54 3HB PRO 54 3.677 1.486 -1.116 4 1HG PRO 54 2HG PRO 54 4.253 -0.640 0.854 5 2HG PRO 54 3HG PRO 54 4.083 1.084 1.118 6 1HD PRO 54 2HD PRO 54 2.147 -0.944 1.722 7 2HD PRO 54 3HD PRO 54 1.934 0.789 1.877 8 HA PRO 55 HA PRO 55 1.663 -3.185 -3.760 9 1HB PRO 55 2HB PRO 55 3.205 -2.853 -5.992 10 2HB PRO 55 3HB PRO 55 1.543 -2.307 -5.885 11 1HG PRO 55 2HG PRO 55 4.030 -0.711 -5.774 12 2HG PRO 55 3HG PRO 55 2.393 -0.173 -6.094 13 1HD PRO 55 2HD PRO 55 3.852 0.133 -3.643 14 2HD PRO 55 3HD PRO 55 2.178 0.566 -3.928 15 H GLY 56 HN GLY 56 2.574 -4.386 -2.046 16 1HA GLY 56 1HA GLY 56 5.455 -4.886 -2.413 17 2HA GLY 56 2HA GLY 56 4.529 -5.158 -0.951 18 H LEU 57 HN LEU 57 6.247 -7.013 -2.654 19 HA LEU 57 HA LEU 57 4.642 -8.779 -4.074 20 1HB LEU 57 2HB LEU 57 7.163 -8.558 -4.027 21 2HB LEU 57 3HB LEU 57 7.140 -9.475 -2.534 22 HG LEU 57 HG LEU 57 6.128 -11.387 -3.692 23 1HD1 LEU 57 1HD1 LEU 57 4.996 -11.109 -5.577 24 2HD1 LEU 57 2HD1 LEU 57 5.571 -9.430 -5.719 25 3HD1 LEU 57 3HD1 LEU 57 6.525 -10.760 -6.419 26 1HD2 LEU 57 1HD2 LEU 57 8.698 -10.765 -3.659 27 2HD2 LEU 57 2HD2 LEU 57 8.092 -12.184 -4.547 28 3HD2 LEU 57 3HD2 LEU 57 8.460 -10.677 -5.421 29 H CYS 58 HN CYS 58 3.437 -10.597 -3.534 30 HA CYS 58 HA CYS 58 2.654 -10.692 -0.758 31 1HB CYS 58 2HB CYS 58 0.936 -10.678 -2.541 32 2HB CYS 58 3HB CYS 58 1.557 -12.196 -3.158 33 HA PRO 59 HA PRO 59 5.507 -14.044 -0.335 34 1HB PRO 59 2HB PRO 59 5.468 -14.167 2.395 35 2HB PRO 59 3HB PRO 59 6.535 -13.104 1.499 36 1HG PRO 59 2HG PRO 59 4.080 -12.430 3.002 37 2HG PRO 59 3HG PRO 59 5.368 -11.368 2.472 38 1HD PRO 59 2HD PRO 59 2.775 -11.648 1.279 39 2HD PRO 59 3HD PRO 59 4.103 -10.673 0.682 40 H ARG 60 HN ARG 60 2.282 -13.966 -0.080 41 HA ARG 60 HA ARG 60 2.120 -16.596 1.083 42 1HB ARG 60 2HB ARG 60 0.338 -14.310 0.807 43 2HB ARG 60 3HB ARG 60 -0.440 -15.720 0.117 44 1HG ARG 60 2HG ARG 60 0.862 -15.730 2.878 45 2HG ARG 60 3HG ARG 60 -0.830 -15.349 2.626 46 1HD ARG 60 2HD ARG 60 0.129 -17.871 1.324 47 2HD ARG 60 3HD ARG 60 0.103 -17.889 3.076 48 HE ARG 60 HE ARG 60 -2.359 -16.810 1.921 49 1HH1 ARG 60 1HH1 ARG 60 -4.195 -19.688 2.643 50 2HH1 ARG 60 2HH1 ARG 60 -4.279 -18.025 2.165 51 1HH2 ARG 60 1HH2 ARG 60 -2.135 -20.681 3.035 52 2HH2 ARG 60 2HH2 ARG 60 -0.680 -19.760 2.850 53 H CYS 61 HN CYS 61 0.700 -14.926 -1.836 54 HA CYS 61 HA CYS 61 0.529 -17.468 -3.173 55 1HB CYS 61 2HB CYS 61 -0.638 -16.243 -4.930 56 2HB CYS 61 3HB CYS 61 -1.328 -15.875 -3.361 57 H LYS 62 HN LYS 62 2.360 -14.369 -3.282 58 HA LYS 62 HA LYS 62 4.219 -13.771 -4.309 59 1HB LYS 62 2HB LYS 62 4.771 -16.190 -3.225 60 2HB LYS 62 3HB LYS 62 5.114 -16.541 -4.906 61 1HG LYS 62 2HG LYS 62 6.188 -13.938 -3.894 62 2HG LYS 62 3HG LYS 62 6.910 -15.372 -3.192 63 1HD LYS 62 2HD LYS 62 7.050 -16.192 -5.722 64 2HD LYS 62 3HD LYS 62 6.891 -14.486 -6.087 65 1HE LYS 62 2HE LYS 62 8.815 -14.505 -4.050 66 2HE LYS 62 3HE LYS 62 9.196 -15.956 -4.956 67 1HZ LYS 62 1HZ LYS 62 9.191 -13.197 -5.868 68 2HZ LYS 62 2HZ LYS 62 10.311 -14.362 -6.105 69 3HZ LYS 62 3HZ LYS 62 8.919 -14.381 -6.958 70 H LYS 63 HN LYS 63 1.867 -13.779 -5.848 71 HA LYS 63 HA LYS 63 2.999 -14.433 -8.475 72 1HB LYS 63 2HB LYS 63 0.383 -15.220 -7.297 73 2HB LYS 63 3HB LYS 63 0.354 -14.674 -8.961 74 1HG LYS 63 2HG LYS 63 2.298 -16.793 -7.937 75 2HG LYS 63 3HG LYS 63 0.740 -17.183 -8.637 76 1HD LYS 63 2HD LYS 63 2.261 -15.305 -10.325 77 2HD LYS 63 3HD LYS 63 3.146 -16.791 -10.042 78 1HE LYS 63 2HE LYS 63 0.569 -17.730 -10.558 79 2HE LYS 63 3HE LYS 63 0.675 -16.341 -11.621 80 1HZ LYS 63 1HZ LYS 63 1.542 -18.552 -12.449 81 2HZ LYS 63 2HZ LYS 63 2.482 -17.242 -12.705 82 3HZ LYS 63 3HZ LYS 63 2.850 -18.289 -11.507 83 H GLY 64 HN GLY 64 2.967 -11.974 -6.682 84 1HA GLY 64 1HA GLY 64 2.781 -9.993 -8.506 85 2HA GLY 64 2HA GLY 64 1.121 -10.165 -7.971 86 H TYR 65 HN TYR 65 1.760 -7.804 -7.289 87 HA TYR 65 HA TYR 65 2.974 -7.910 -4.612 88 1HB TYR 65 2HB TYR 65 2.727 -5.857 -6.877 89 2HB TYR 65 3HB TYR 65 3.094 -5.316 -5.251 90 HD1 TYR 65 HD1 TYR 65 4.341 -7.357 -8.086 91 HD2 TYR 65 HD2 TYR 65 5.290 -5.560 -4.321 92 HE1 TYR 65 HE1 TYR 65 6.811 -7.810 -8.484 93 HE2 TYR 65 HE2 TYR 65 7.757 -6.019 -4.732 94 HH TYR 65 HH TYR 65 9.061 -6.514 -7.492 95 H HIS 66 HN HIS 66 1.384 -8.028 -3.090 96 HA HIS 66 HA HIS 66 -0.437 -5.895 -2.876 97 1HB HIS 66 2HB HIS 66 -2.534 -7.155 -3.096 98 2HB HIS 66 3HB HIS 66 -1.666 -7.026 -4.613 99 HD1 HIS 66 HD1 HIS 66 -1.865 -9.145 -5.901 100 HD2 HIS 66 HD2 HIS 66 -1.558 -9.846 -1.776 101 HE1 HIS 66 HE1 HIS 66 -1.912 -11.679 -5.601 102 H TRP 67 HN TRP 67 -1.710 -6.057 -0.838 103 HA TRP 67 HA TRP 67 -0.141 -7.329 1.166 104 1HB TRP 67 2HB TRP 67 -2.679 -5.706 1.193 105 2HB TRP 67 3HB TRP 67 -2.033 -6.444 2.645 106 HD1 TRP 67 HD1 TRP 67 -1.293 -3.591 0.182 107 HE1 TRP 67 HE1 TRP 67 0.542 -1.949 1.131 108 HE3 TRP 67 HE3 TRP 67 -0.046 -6.461 4.190 109 HZ2 TRP 67 HZ2 TRP 67 2.271 -2.033 3.400 110 HZ3 TRP 67 HZ3 TRP 67 1.726 -5.608 5.723 111 HH2 TRP 67 HH2 TRP 67 2.870 -3.476 5.379 112 H LYS 68 HN LYS 68 -0.788 -9.086 2.547 113 HA LYS 68 HA LYS 68 -1.961 -11.221 1.317 114 1HB LYS 68 2HB LYS 68 -2.148 -12.179 3.603 115 2HB LYS 68 3HB LYS 68 -0.574 -11.493 3.251 116 1HG LYS 68 2HG LYS 68 -1.748 -9.284 4.310 117 2HG LYS 68 3HG LYS 68 -2.704 -10.504 5.129 118 1HD LYS 68 2HD LYS 68 0.052 -11.345 5.239 119 2HD LYS 68 3HD LYS 68 -0.002 -9.657 5.706 120 1HE LYS 68 2HE LYS 68 -0.619 -10.397 7.771 121 2HE LYS 68 3HE LYS 68 -2.196 -10.704 7.070 122 1HZ LYS 68 1HZ LYS 68 -0.445 -12.555 8.069 123 2HZ LYS 68 2HZ LYS 68 -1.852 -12.852 7.295 124 3HZ LYS 68 3HZ LYS 68 -0.452 -12.808 6.455 125 H SER 69 HN SER 69 -3.496 -8.781 3.506 126 HA SER 69 HA SER 69 -5.987 -9.974 3.500 127 1HB SER 69 2HB SER 69 -6.811 -7.774 4.281 128 2HB SER 69 3HB SER 69 -5.331 -8.225 5.103 129 HG SER 69 HG SER 69 -4.190 -6.880 3.437 130 H GLU 70 HN GLU 70 -4.340 -7.812 1.189 131 HA GLU 70 HA GLU 70 -6.768 -7.362 -0.264 132 1HB GLU 70 2HB GLU 70 -3.882 -6.497 -0.601 133 2HB GLU 70 3HB GLU 70 -5.036 -6.251 -1.896 134 1HG GLU 70 2HG GLU 70 -5.688 -5.346 0.929 135 2HG GLU 70 3HG GLU 70 -4.693 -4.347 -0.111 136 H CYS 71 HN CYS 71 -4.418 -9.832 -0.026 137 HA CYS 71 HA CYS 71 -3.878 -10.623 -2.548 138 1HB CYS 71 2HB CYS 71 -3.010 -11.748 -0.550 139 2HB CYS 71 3HB CYS 71 -4.597 -12.399 -0.192 140 H LYS 72 HN LYS 72 -5.140 -11.133 -4.308 141 HA LYS 72 HA LYS 72 -7.890 -12.002 -3.744 142 1HB LYS 72 2HB LYS 72 -8.589 -10.833 -5.766 143 2HB LYS 72 3HB LYS 72 -7.858 -9.726 -4.623 144 1HG LYS 72 2HG LYS 72 -6.275 -9.129 -6.133 145 2HG LYS 72 3HG LYS 72 -5.768 -10.796 -6.320 146 1HD LYS 72 2HD LYS 72 -8.083 -10.880 -7.765 147 2HD LYS 72 3HD LYS 72 -7.675 -9.191 -7.988 148 1HE LYS 72 2HE LYS 72 -5.437 -9.801 -8.848 149 2HE LYS 72 3HE LYS 72 -5.739 -11.495 -8.520 150 1HZ LYS 72 1HZ LYS 72 -6.348 -11.367 -10.675 151 2HZ LYS 72 2HZ LYS 72 -7.799 -11.016 -10.015 152 3HZ LYS 72 3HZ LYS 72 -6.856 -9.817 -10.598 153 H SER 73 HN SER 73 -5.046 -13.292 -4.331 154 HA SER 73 HA SER 73 -5.364 -14.535 -6.814 155 1HB SER 73 2HB SER 73 -3.576 -14.822 -4.435 156 2HB SER 73 3HB SER 73 -3.707 -16.238 -5.459 157 HG SER 73 HG SER 73 -3.394 -14.315 -7.210 158 H LYS 74 HN LYS 74 -5.414 -17.097 -6.934 159 HA LYS 74 HA LYS 74 -7.680 -17.939 -5.276 160 1HB LYS 74 2HB LYS 74 -7.910 -17.786 -7.808 161 2HB LYS 74 3HB LYS 74 -6.794 -19.133 -7.912 162 1HG LYS 74 2HG LYS 74 -8.379 -20.366 -6.259 163 2HG LYS 74 3HG LYS 74 -9.536 -19.091 -6.587 164 1HD LYS 74 2HD LYS 74 -8.991 -19.674 -9.138 165 2HD LYS 74 3HD LYS 74 -8.456 -21.201 -8.465 166 1HE LYS 74 2HE LYS 74 -10.639 -21.651 -7.503 167 2HE LYS 74 3HE LYS 74 -11.187 -20.015 -7.810 168 1HZ LYS 74 1HZ LYS 74 -11.590 -20.490 -9.937 169 2HZ LYS 74 2HZ LYS 74 -10.275 -21.439 -10.127 170 3HZ LYS 74 3HZ LYS 74 -11.627 -22.045 -9.440 171 H PHE 75 HN PHE 75 -4.417 -18.826 -6.495 172 HA PHE 75 HA PHE 75 -4.365 -20.874 -4.393 173 1HB PHE 75 2HB PHE 75 -3.144 -20.787 -7.217 174 2HB PHE 75 3HB PHE 75 -2.749 -22.032 -6.049 175 HD1 PHE 75 HD1 PHE 75 -5.121 -22.990 -4.925 176 HD2 PHE 75 HD2 PHE 75 -4.555 -21.526 -8.868 177 HE1 PHE 75 HE1 PHE 75 -7.080 -24.349 -5.711 178 HE2 PHE 75 HE2 PHE 75 -6.514 -22.886 -9.653 179 HZ PHE 75 HZ PHE 75 -7.753 -24.281 -8.066 180 H ASP 76 HN ASP 76 -2.444 -21.044 -3.172 181 HA ASP 76 HA ASP 76 -0.436 -19.041 -3.830 182 1HB ASP 76 2HB ASP 76 -0.277 -18.332 -1.568 183 2HB ASP 76 3HB ASP 76 -2.002 -18.442 -1.860 184 H LYS 77 HN LYS 77 1.508 -19.616 -1.957 185 HA LYS 77 HA LYS 77 2.853 -21.741 -2.816 186 1HB LYS 77 2HB LYS 77 3.467 -19.942 -1.071 187 2HB LYS 77 3HB LYS 77 2.835 -21.056 0.124 188 1HG LYS 77 2HG LYS 77 4.792 -22.195 0.085 189 2HG LYS 77 3HG LYS 77 4.507 -22.613 -1.593 190 1HD LYS 77 2HD LYS 77 5.459 -19.827 -1.228 191 2HD LYS 77 3HD LYS 77 6.600 -21.027 -0.654 192 1HE LYS 77 2HE LYS 77 7.049 -21.813 -2.771 193 2HE LYS 77 3HE LYS 77 5.378 -21.691 -3.285 194 1HZ LYS 77 1HZ LYS 77 6.655 -20.095 -4.441 195 2HZ LYS 77 2HZ LYS 77 5.713 -19.271 -3.392 196 3HZ LYS 77 3HZ LYS 77 7.300 -19.482 -3.072 197 H ASP 78 HN ASP 78 3.164 -23.967 -2.208 198 HA ASP 78 HA ASP 78 2.508 -25.970 -1.708 199 1HB ASP 78 2HB ASP 78 2.451 -25.452 0.619 200 2HB ASP 78 3HB ASP 78 1.039 -24.428 0.451 201 H GLY 79 HN GLY 79 0.769 -23.870 -3.355 202 1HA GLY 79 1HA GLY 79 -1.101 -23.899 -4.598 203 2HA GLY 79 2HA GLY 79 -1.100 -25.641 -4.406 204 H ASN 80 HN ASN 80 -1.447 -23.049 -1.895 205 HA ASN 80 HA ASN 80 -3.741 -24.442 -0.904 206 1HB ASN 80 2HB ASN 80 -2.017 -22.127 0.017 207 2HB ASN 80 3HB ASN 80 -3.620 -22.282 0.709 208 1HD2 ASN 80 1HD2 ASN 80 -0.422 -23.229 0.876 209 2HD2 ASN 80 2HD2 ASN 80 -0.549 -24.579 1.954 210 HA PRO 81 HA PRO 81 -6.507 -21.689 -2.925 211 1HB PRO 81 2HB PRO 81 -8.818 -22.272 -1.589 212 2HB PRO 81 3HB PRO 81 -8.198 -23.250 -2.904 213 1HG PRO 81 2HG PRO 81 -8.159 -23.810 -0.002 214 2HG PRO 81 3HG PRO 81 -7.945 -24.924 -1.337 215 1HD PRO 81 2HD PRO 81 -5.889 -23.854 0.352 216 2HD PRO 81 3HD PRO 81 -5.664 -24.876 -1.054 217 H LEU 82 HN LEU 82 -5.902 -19.603 -2.660 218 HA LEU 82 HA LEU 82 -5.628 -18.286 -0.345 219 1HB LEU 82 2HB LEU 82 -6.458 -17.478 -3.086 220 2HB LEU 82 3HB LEU 82 -6.613 -16.289 -1.808 221 HG LEU 82 HG LEU 82 -4.521 -15.838 -2.690 222 1HD1 LEU 82 1HD1 LEU 82 -2.964 -16.236 -0.979 223 2HD1 LEU 82 2HD1 LEU 82 -4.551 -16.281 -0.175 224 3HD1 LEU 82 3HD1 LEU 82 -3.700 -17.799 -0.549 225 1HD2 LEU 82 1HD2 LEU 82 -2.865 -17.471 -3.374 226 2HD2 LEU 82 2HD2 LEU 82 -3.894 -18.801 -2.790 227 3HD2 LEU 82 3HD2 LEU 82 -4.421 -17.808 -4.170 228 HA PRO 83 HA PRO 83 -9.496 -17.799 1.504 229 1HB PRO 83 2HB PRO 83 -9.277 -15.390 2.777 230 2HB PRO 83 3HB PRO 83 -8.580 -16.871 3.402 231 1HG PRO 83 2HG PRO 83 -7.225 -14.593 2.093 232 2HG PRO 83 3HG PRO 83 -6.532 -15.859 3.087 233 1HD PRO 83 2HD PRO 83 -6.399 -15.655 0.229 234 2HD PRO 83 3HD PRO 83 -5.807 -16.978 1.214 235 HA PRO 84 HA PRO 84 -12.194 -15.599 -0.920 236 1HB PRO 84 2HB PRO 84 -14.467 -15.581 0.597 237 2HB PRO 84 3HB PRO 84 -13.972 -16.955 -0.372 238 1HG PRO 84 2HG PRO 84 -13.824 -16.606 2.559 239 2HG PRO 84 3HG PRO 84 -13.742 -18.086 1.625 240 1HD PRO 84 2HD PRO 84 -11.545 -16.703 2.845 241 2HD PRO 84 3HD PRO 84 -11.451 -18.117 1.814
Contact the webmaster for help, if required. Sunday, June 16, 2024 1:34:17 PM GMT (wattos1)