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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | in_recoord | stage | position | program | type |
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7422 |
1kik ![]() ![]() |
cing | recoord | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H ASN 64 HN ASN 64 1.154 2.915 12.878 2 HA ASN 64 HA ASN 64 3.390 2.259 11.266 3 1HB ASN 64 2HB ASN 64 1.361 0.115 11.781 4 2HB ASN 64 3HB ASN 64 2.055 0.260 10.173 5 1HD2 ASN 64 1HD2 ASN 64 2.354 -1.965 11.855 6 2HD2 ASN 64 2HD2 ASN 64 4.030 -2.120 12.242 7 H LEU 65 HN LEU 65 1.232 4.236 11.631 8 HA LEU 65 HA LEU 65 -0.470 3.896 9.346 9 1HB LEU 65 2HB LEU 65 -1.486 4.978 11.142 10 2HB LEU 65 3HB LEU 65 -0.163 6.095 11.359 11 HG LEU 65 HG LEU 65 -0.758 7.159 9.244 12 1HD1 LEU 65 1HD1 LEU 65 -3.369 6.208 8.831 13 2HD1 LEU 65 2HD1 LEU 65 -1.975 6.073 7.756 14 3HD1 LEU 65 3HD1 LEU 65 -2.311 4.801 8.932 15 1HD2 LEU 65 1HD2 LEU 65 -2.870 8.193 9.995 16 2HD2 LEU 65 2HD2 LEU 65 -3.018 6.935 11.223 17 3HD2 LEU 65 3HD2 LEU 65 -1.676 8.078 11.288 18 H VAL 66 HN VAL 66 -0.476 4.951 7.521 19 HA VAL 66 HA VAL 66 1.863 6.603 6.832 20 HB VAL 66 HB VAL 66 1.481 5.646 4.509 21 1HG1 VAL 66 1HG1 VAL 66 2.604 4.010 6.757 22 2HG1 VAL 66 2HG1 VAL 66 2.825 3.595 5.057 23 3HG1 VAL 66 3HG1 VAL 66 3.469 5.112 5.685 24 1HG2 VAL 66 1HG2 VAL 66 0.569 3.328 4.501 25 2HG2 VAL 66 2HG2 VAL 66 -0.013 3.615 6.140 26 3HG2 VAL 66 3HG2 VAL 66 -0.634 4.581 4.802 27 H ILE 67 HN ILE 67 1.342 7.508 4.468 28 HA ILE 67 HA ILE 67 -1.381 8.442 4.259 29 HB ILE 67 HB ILE 67 0.714 10.119 5.342 30 1HG1 ILE 67 2HG1 ILE 67 -2.238 10.342 4.847 31 2HG1 ILE 67 3HG1 ILE 67 -1.432 9.929 6.333 32 1HG2 ILE 67 1HG2 ILE 67 0.200 12.137 3.990 33 2HG2 ILE 67 2HG2 ILE 67 1.089 10.909 3.090 34 3HG2 ILE 67 3HG2 ILE 67 -0.645 11.108 2.835 35 1HD1 ILE 67 1HD1 ILE 67 -2.318 12.446 5.468 36 2HD1 ILE 67 2HD1 ILE 67 -1.450 12.049 6.952 37 3HD1 ILE 67 3HD1 ILE 67 -0.554 12.503 5.502 38 H ALA 68 HN ALA 68 -2.009 8.461 2.247 39 HA ALA 68 HA ALA 68 -0.324 7.633 0.150 40 1HB ALA 68 1HB ALA 68 -2.226 7.302 -0.962 41 2HB ALA 68 2HB ALA 68 -3.034 7.776 0.533 42 3HB ALA 68 3HB ALA 68 -2.754 8.970 -0.736 43 H LEU 69 HN LEU 69 0.323 8.681 -1.740 44 HA LEU 69 HA LEU 69 0.581 11.610 -1.507 45 1HB LEU 69 2HB LEU 69 2.520 9.566 -2.578 46 2HB LEU 69 3HB LEU 69 2.707 11.293 -2.831 47 HG LEU 69 HG LEU 69 2.678 9.922 -0.137 48 1HD1 LEU 69 1HD1 LEU 69 5.101 10.890 -0.206 49 2HD1 LEU 69 2HD1 LEU 69 4.751 9.346 -0.980 50 3HD1 LEU 69 3HD1 LEU 69 4.883 10.812 -1.953 51 1HD2 LEU 69 1HD2 LEU 69 1.791 12.148 0.040 52 2HD2 LEU 69 2HD2 LEU 69 3.439 12.149 0.667 53 3HD2 LEU 69 3HD2 LEU 69 3.106 12.798 -0.938 54 H HIS 70 HN HIS 70 -1.252 9.561 -3.020 55 HA HIS 70 HA HIS 70 -1.658 11.180 -5.318 56 1HB HIS 70 2HB HIS 70 -1.238 8.725 -6.619 57 2HB HIS 70 3HB HIS 70 -0.283 10.190 -6.789 58 HD1 HIS 70 1HD HIS 70 1.972 9.077 -7.046 59 HD2 HIS 70 2HD HIS 70 -0.029 7.879 -3.612 60 HE1 HIS 70 1HE HIS 70 3.659 7.790 -5.703 61 HE2 HIS 70 2HE HIS 70 2.476 7.249 -3.548 62 H SER 71 HN SER 71 -3.671 10.836 -6.205 63 HA SER 71 HA SER 71 -5.598 9.488 -4.703 64 1HB SER 71 2HB SER 71 -6.141 9.810 -7.602 65 2HB SER 71 3HB SER 71 -7.112 10.292 -6.213 66 HG SER 71 HG SER 71 -5.816 12.086 -5.952 67 H TYR 72 HN TYR 72 -6.083 7.402 -4.513 68 HA TYR 72 HA TYR 72 -4.954 5.551 -6.497 69 1HB TYR 72 2HB TYR 72 -4.353 5.255 -4.079 70 2HB TYR 72 3HB TYR 72 -6.033 4.860 -3.770 71 HD1 TYR 72 1HD TYR 72 -6.164 2.609 -3.275 72 HD2 TYR 72 2HD TYR 72 -3.728 3.849 -6.533 73 HE1 TYR 72 1HE TYR 72 -5.737 0.259 -3.845 74 HE2 TYR 72 2HE TYR 72 -3.303 1.501 -7.115 75 HH TYR 72 HH TYR 72 -4.841 -0.833 -6.564 76 H GLU 73 HN GLU 73 -6.104 3.946 -7.458 77 HA GLU 73 HA GLU 73 -8.992 3.860 -7.057 78 1HB GLU 73 2HB GLU 73 -7.650 4.910 -9.313 79 2HB GLU 73 3HB GLU 73 -8.463 3.438 -9.800 80 1HG GLU 73 2HG GLU 73 -10.569 4.280 -9.099 81 2HG GLU 73 3HG GLU 73 -9.806 5.656 -8.301 82 HA PRO 74 HA PRO 74 -7.395 -0.356 -6.290 83 1HB PRO 74 2HB PRO 74 -10.195 -1.057 -6.257 84 2HB PRO 74 3HB PRO 74 -9.056 -0.992 -4.912 85 1HG PRO 74 2HG PRO 74 -11.018 1.013 -5.795 86 2HG PRO 74 3HG PRO 74 -10.247 0.810 -4.213 87 1HD PRO 74 2HD PRO 74 -9.613 2.856 -5.867 88 2HD PRO 74 3HD PRO 74 -8.406 2.080 -4.815 89 H SER 75 HN SER 75 -6.790 -1.710 -7.815 90 HA SER 75 HA SER 75 -8.548 -2.129 -10.141 91 1HB SER 75 2HB SER 75 -5.658 -1.470 -10.010 92 2HB SER 75 3HB SER 75 -6.125 -2.698 -11.187 93 HG SER 75 HG SER 75 -7.546 -1.220 -12.110 94 H HIS 76 HN HIS 76 -6.051 -3.504 -8.043 95 HA HIS 76 HA HIS 76 -6.426 -6.171 -9.066 96 1HB HIS 76 2HB HIS 76 -4.695 -4.883 -7.011 97 2HB HIS 76 3HB HIS 76 -5.023 -6.603 -6.826 98 HD1 HIS 76 1HD HIS 76 -4.537 -4.913 -10.161 99 HD2 HIS 76 2HD HIS 76 -2.535 -7.500 -7.599 100 HE1 HIS 76 1HE HIS 76 -2.549 -5.742 -11.460 101 HE2 HIS 76 2HE HIS 76 -1.300 -7.228 -9.855 102 H ASP 77 HN ASP 77 -7.086 -7.981 -7.696 103 HA ASP 77 HA ASP 77 -9.573 -7.481 -6.436 104 1HB ASP 77 2HB ASP 77 -7.902 -9.840 -7.034 105 2HB ASP 77 3HB ASP 77 -8.962 -10.011 -5.638 106 H GLY 78 HN GLY 78 -10.168 -7.465 -4.296 107 1HA GLY 78 1HA GLY 78 -9.944 -7.212 -2.022 108 2HA GLY 78 2HA GLY 78 -8.505 -8.211 -2.145 109 H ASP 79 HN ASP 79 -9.068 -5.072 -3.683 110 HA ASP 79 HA ASP 79 -6.753 -4.052 -2.188 111 1HB ASP 79 2HB ASP 79 -7.901 -3.229 -4.856 112 2HB ASP 79 3HB ASP 79 -6.623 -2.343 -4.028 113 H LEU 80 HN LEU 80 -6.771 -1.866 -1.476 114 HA LEU 80 HA LEU 80 -9.468 -0.894 -0.822 115 1HB LEU 80 2HB LEU 80 -8.548 -1.306 1.242 116 2HB LEU 80 3HB LEU 80 -6.913 -1.009 0.695 117 HG LEU 80 HG LEU 80 -7.578 1.466 0.615 118 1HD1 LEU 80 1HD1 LEU 80 -9.983 0.244 1.817 119 2HD1 LEU 80 2HD1 LEU 80 -9.386 1.723 2.575 120 3HD1 LEU 80 3HD1 LEU 80 -9.813 1.718 0.863 121 1HD2 LEU 80 1HD2 LEU 80 -7.077 -0.219 3.001 122 2HD2 LEU 80 2HD2 LEU 80 -6.074 1.033 2.270 123 3HD2 LEU 80 3HD2 LEU 80 -7.468 1.481 3.254 124 H GLY 81 HN GLY 81 -10.062 1.066 -1.541 125 1HA GLY 81 1HA GLY 81 -8.082 2.599 -3.050 126 2HA GLY 81 2HA GLY 81 -9.820 2.808 -3.135 127 H PHE 82 HN PHE 82 -7.518 4.670 -2.629 128 HA PHE 82 HA PHE 82 -8.758 6.051 -0.385 129 1HB PHE 82 2HB PHE 82 -6.308 6.635 0.344 130 2HB PHE 82 3HB PHE 82 -7.061 5.142 0.882 131 HD1 PHE 82 1HD PHE 82 -6.631 3.062 -0.661 132 HD2 PHE 82 2HD PHE 82 -4.201 6.551 -0.582 133 HE1 PHE 82 1HE PHE 82 -4.759 1.779 -1.610 134 HE2 PHE 82 2HE PHE 82 -2.317 5.265 -1.528 135 HZ PHE 82 HZ PHE 82 -2.603 2.878 -2.038 136 H GLU 83 HN GLU 83 -7.566 8.270 -0.127 137 HA GLU 83 HA GLU 83 -7.361 9.383 -2.843 138 1HB GLU 83 2HB GLU 83 -8.697 10.223 -0.401 139 2HB GLU 83 3HB GLU 83 -7.679 11.492 -1.058 140 1HG GLU 83 2HG GLU 83 -9.005 10.510 -3.267 141 2HG GLU 83 3HG GLU 83 -10.219 10.471 -1.991 142 H LYS 84 HN LYS 84 -6.003 11.478 -2.872 143 HA LYS 84 HA LYS 84 -3.353 10.784 -2.062 144 1HB LYS 84 2HB LYS 84 -3.504 11.984 -4.082 145 2HB LYS 84 3HB LYS 84 -4.570 13.192 -3.385 146 1HG LYS 84 2HG LYS 84 -2.596 13.839 -1.909 147 2HG LYS 84 3HG LYS 84 -1.615 12.851 -2.991 148 1HD LYS 84 2HD LYS 84 -1.853 14.289 -4.745 149 2HD LYS 84 3HD LYS 84 -3.423 14.878 -4.197 150 1HE LYS 84 2HE LYS 84 -1.048 15.472 -2.515 151 2HE LYS 84 3HE LYS 84 -1.219 16.353 -4.033 152 1HZ LYS 84 1HZ LYS 84 -3.598 16.207 -2.370 153 2HZ LYS 84 2HZ LYS 84 -2.982 17.500 -3.270 154 3HZ LYS 84 3HZ LYS 84 -2.327 17.138 -1.753 155 H GLY 85 HN GLY 85 -2.331 11.280 -0.233 156 1HA GLY 85 1HA GLY 85 -1.797 12.480 1.712 157 2HA GLY 85 2HA GLY 85 -3.172 13.540 1.402 158 H GLU 86 HN GLU 86 -4.645 10.786 0.970 159 HA GLU 86 HA GLU 86 -6.029 10.703 3.372 160 1HB GLU 86 2HB GLU 86 -6.300 9.498 0.957 161 2HB GLU 86 3HB GLU 86 -5.714 8.149 1.911 162 1HG GLU 86 2HG GLU 86 -8.327 9.055 1.652 163 2HG GLU 86 3HG GLU 86 -7.724 7.797 2.708 164 H GLN 87 HN GLN 87 -6.087 8.810 4.880 165 HA GLN 87 HA GLN 87 -3.361 7.836 5.392 166 1HB GLN 87 2HB GLN 87 -5.329 8.406 7.586 167 2HB GLN 87 3HB GLN 87 -3.600 8.134 7.716 168 1HG GLN 87 2HG GLN 87 -3.080 10.256 7.240 169 2HG GLN 87 3HG GLN 87 -4.374 10.418 6.057 170 1HE2 GLN 87 1HE2 GLN 87 -3.851 10.129 9.548 171 2HE2 GLN 87 2HE2 GLN 87 -5.123 11.205 10.004 172 H LEU 88 HN LEU 88 -3.114 5.833 6.195 173 HA LEU 88 HA LEU 88 -5.431 4.108 6.592 174 1HB LEU 88 2HB LEU 88 -3.311 2.981 4.861 175 2HB LEU 88 3HB LEU 88 -5.022 2.618 4.916 176 HG LEU 88 HG LEU 88 -4.442 5.302 3.899 177 1HD1 LEU 88 1HD1 LEU 88 -3.198 4.834 2.073 178 2HD1 LEU 88 2HD1 LEU 88 -2.554 3.578 3.135 179 3HD1 LEU 88 3HD1 LEU 88 -3.801 3.181 1.950 180 1HD2 LEU 88 1HD2 LEU 88 -5.940 2.982 2.705 181 2HD2 LEU 88 2HD2 LEU 88 -6.637 4.113 3.873 182 3HD2 LEU 88 3HD2 LEU 88 -6.101 4.694 2.294 183 H ARG 89 HN ARG 89 -5.087 2.780 8.225 184 HA ARG 89 HA ARG 89 -2.509 2.721 9.476 185 1HB ARG 89 2HB ARG 89 -4.346 2.856 10.958 186 2HB ARG 89 3HB ARG 89 -5.201 1.551 10.146 187 1HG ARG 89 2HG ARG 89 -3.608 -0.043 10.944 188 2HG ARG 89 3HG ARG 89 -2.634 1.237 11.648 189 1HD ARG 89 2HD ARG 89 -4.748 1.840 12.958 190 2HD ARG 89 3HD ARG 89 -5.318 0.241 12.511 191 HE ARG 89 HE ARG 89 -2.700 0.383 13.761 192 1HH1 ARG 89 2HH1 ARG 89 -6.122 -0.191 14.176 193 2HH1 ARG 89 1HH1 ARG 89 -5.919 -1.071 15.653 194 1HH2 ARG 89 2HH2 ARG 89 -2.439 -0.773 15.705 195 2HH2 ARG 89 1HH2 ARG 89 -3.832 -1.401 16.521 196 H ILE 90 HN ILE 90 -1.060 1.544 8.447 197 HA ILE 90 HA ILE 90 -1.531 -0.639 6.794 198 HB ILE 90 HB ILE 90 1.032 -0.098 8.297 199 1HG1 ILE 90 2HG1 ILE 90 0.177 1.888 7.089 200 2HG1 ILE 90 3HG1 ILE 90 1.687 1.299 6.430 201 1HG2 ILE 90 1HG2 ILE 90 2.026 -1.630 7.007 202 2HG2 ILE 90 2HG2 ILE 90 0.392 -2.223 6.702 203 3HG2 ILE 90 3HG2 ILE 90 1.152 -1.110 5.564 204 1HD1 ILE 90 1HD1 ILE 90 0.763 1.161 4.430 205 2HD1 ILE 90 2HD1 ILE 90 -0.453 0.044 5.048 206 3HD1 ILE 90 3HD1 ILE 90 -0.748 1.782 5.095 207 H LEU 91 HN LEU 91 -2.371 -2.470 7.282 208 HA LEU 91 HA LEU 91 -2.223 -3.644 9.911 209 1HB LEU 91 2HB LEU 91 -3.252 -4.896 7.369 210 2HB LEU 91 3HB LEU 91 -3.690 -5.308 9.017 211 HG LEU 91 HG LEU 91 -4.366 -2.735 7.589 212 1HD1 LEU 91 1HD1 LEU 91 -5.804 -4.238 6.644 213 2HD1 LEU 91 2HD1 LEU 91 -5.912 -5.227 8.101 214 3HD1 LEU 91 3HD1 LEU 91 -6.740 -3.668 8.027 215 1HD2 LEU 91 1HD2 LEU 91 -4.540 -1.897 9.649 216 2HD2 LEU 91 2HD2 LEU 91 -5.971 -2.913 9.815 217 3HD2 LEU 91 3HD2 LEU 91 -4.410 -3.487 10.400 218 H GLU 92 HN GLU 92 -1.109 -4.366 6.654 219 HA GLU 92 HA GLU 92 1.190 -5.763 7.748 220 1HB GLU 92 2HB GLU 92 -1.007 -7.132 6.562 221 2HB GLU 92 3HB GLU 92 0.366 -7.241 5.466 222 1HG GLU 92 2HG GLU 92 1.201 -8.855 6.715 223 2HG GLU 92 3HG GLU 92 1.380 -7.690 8.030 224 H GLN 93 HN GLN 93 3.012 -5.388 6.622 225 HA GLN 93 HA GLN 93 2.718 -3.940 4.092 226 1HB GLN 93 2HB GLN 93 5.008 -2.930 4.892 227 2HB GLN 93 3HB GLN 93 3.480 -2.253 5.428 228 1HG GLN 93 2HG GLN 93 3.646 -3.728 7.420 229 2HG GLN 93 3HG GLN 93 5.261 -4.122 6.879 230 1HE2 GLN 93 1HE2 GLN 93 6.857 -2.467 6.828 231 2HE2 GLN 93 2HE2 GLN 93 6.707 -1.069 7.831 232 H SER 94 HN SER 94 3.011 -6.733 4.327 233 HA SER 94 HA SER 94 5.777 -7.244 3.532 234 1HB SER 94 2HB SER 94 4.291 -9.625 3.360 235 2HB SER 94 3HB SER 94 5.420 -9.168 4.632 236 HG SER 94 HG SER 94 3.221 -9.707 5.316 237 H GLY 95 HN GLY 95 6.315 -7.256 1.457 238 1HA GLY 95 1HA GLY 95 6.100 -7.889 -0.810 239 2HA GLY 95 2HA GLY 95 4.391 -8.177 -0.537 240 H GLU 96 HN GLU 96 5.481 -6.824 -2.719 241 HA GLU 96 HA GLU 96 5.612 -4.090 -2.667 242 1HB GLU 96 2HB GLU 96 6.043 -4.821 -4.759 243 2HB GLU 96 3HB GLU 96 4.875 -6.131 -4.647 244 1HG GLU 96 2HG GLU 96 3.091 -4.673 -5.086 245 2HG GLU 96 3HG GLU 96 4.140 -3.259 -5.014 246 H TRP 97 HN TRP 97 2.831 -6.048 -2.048 247 HA TRP 97 HA TRP 97 1.124 -3.656 -2.167 248 1HB TRP 97 2HB TRP 97 0.528 -6.574 -2.558 249 2HB TRP 97 3HB TRP 97 -0.748 -5.441 -2.124 250 HD1 TRP 97 1HD TRP 97 1.602 -6.345 -5.001 251 HE1 TRP 97 1HE TRP 97 0.790 -5.162 -7.138 252 HE3 TRP 97 3HE TRP 97 -2.067 -3.429 -2.968 253 HZ2 TRP 97 2HZ TRP 97 -1.149 -3.238 -7.862 254 HZ3 TRP 97 3HZ TRP 97 -3.350 -1.945 -4.442 255 HH2 TRP 97 2HH TRP 97 -2.897 -1.847 -6.840 256 H TRP 98 HN TRP 98 0.968 -2.756 -0.220 257 HA TRP 98 HA TRP 98 1.123 -4.393 2.179 258 1HB TRP 98 2HB TRP 98 1.086 -1.413 1.748 259 2HB TRP 98 3HB TRP 98 1.053 -2.154 3.339 260 HD1 TRP 98 1HD TRP 98 3.225 -4.276 1.353 261 HE1 TRP 98 1HE TRP 98 5.705 -3.692 1.739 262 HE3 TRP 98 3HE TRP 98 2.618 0.223 3.634 263 HZ2 TRP 98 2HZ TRP 98 7.205 -1.562 2.860 264 HZ3 TRP 98 3HZ TRP 98 4.609 1.494 4.331 265 HH2 TRP 98 2HH TRP 98 6.859 0.613 3.955 266 H LYS 99 HN LYS 99 -0.457 -4.705 3.632 267 HA LYS 99 HA LYS 99 -3.179 -4.116 2.814 268 1HB LYS 99 2HB LYS 99 -2.709 -6.348 3.679 269 2HB LYS 99 3HB LYS 99 -2.050 -5.665 5.154 270 1HG LYS 99 2HG LYS 99 -4.452 -6.632 5.150 271 2HG LYS 99 3HG LYS 99 -4.120 -5.121 5.998 272 1HD LYS 99 2HD LYS 99 -5.110 -3.831 4.367 273 2HD LYS 99 3HD LYS 99 -5.030 -5.112 3.153 274 1HE LYS 99 2HE LYS 99 -6.552 -6.010 5.409 275 2HE LYS 99 3HE LYS 99 -7.176 -4.459 4.855 276 1HZ LYS 99 1HZ LYS 99 -6.821 -5.801 2.546 277 2HZ LYS 99 2HZ LYS 99 -8.288 -5.693 3.381 278 3HZ LYS 99 3HZ LYS 99 -7.294 -7.044 3.592 279 H ALA 100 HN ALA 100 -4.032 -2.193 3.374 280 HA ALA 100 HA ALA 100 -3.211 -1.046 5.963 281 1HB ALA 100 1HB ALA 100 -4.257 0.738 3.831 282 2HB ALA 100 2HB ALA 100 -3.062 1.050 5.093 283 3HB ALA 100 3HB ALA 100 -2.611 0.117 3.666 284 H GLN 101 HN GLN 101 -4.738 -0.128 7.268 285 HA GLN 101 HA GLN 101 -7.523 -0.636 6.472 286 1HB GLN 101 2HB GLN 101 -6.995 -1.934 8.420 287 2HB GLN 101 3HB GLN 101 -6.263 -0.558 9.222 288 1HG GLN 101 2HG GLN 101 -8.547 0.495 9.055 289 2HG GLN 101 3HG GLN 101 -9.158 -1.093 8.662 290 1HE2 GLN 101 1HE2 GLN 101 -7.530 0.826 11.100 291 2HE2 GLN 101 2HE2 GLN 101 -7.937 -0.180 12.443 292 H SER 102 HN SER 102 -8.406 1.170 5.788 293 HA SER 102 HA SER 102 -7.452 3.721 6.046 294 1HB SER 102 2HB SER 102 -9.869 2.431 5.154 295 2HB SER 102 3HB SER 102 -10.230 3.942 5.949 296 HG SER 102 HG SER 102 -8.691 4.943 4.553 297 H LEU 103 HN LEU 103 -8.567 5.558 7.224 298 HA LEU 103 HA LEU 103 -9.259 4.690 9.953 299 1HB LEU 103 2HB LEU 103 -7.376 6.838 9.064 300 2HB LEU 103 3HB LEU 103 -8.073 6.820 10.669 301 HG LEU 103 HG LEU 103 -7.154 4.263 10.469 302 1HD1 LEU 103 1HD1 LEU 103 -6.080 4.460 8.413 303 2HD1 LEU 103 2HD1 LEU 103 -5.388 6.029 8.824 304 3HD1 LEU 103 3HD1 LEU 103 -4.790 4.569 9.613 305 1HD2 LEU 103 1HD2 LEU 103 -5.264 6.381 11.385 306 2HD2 LEU 103 2HD2 LEU 103 -6.791 6.134 12.233 307 3HD2 LEU 103 3HD2 LEU 103 -5.632 4.807 12.100 308 H THR 104 HN THR 104 -9.938 6.796 7.322 309 HA THR 104 HA THR 104 -11.731 8.485 8.830 310 HB THR 104 HB THR 104 -11.657 8.272 5.835 311 HG1 THR 104 1HG THR 104 -9.595 8.659 5.963 312 1HG2 THR 104 1HG2 THR 104 -11.792 10.784 6.123 313 2HG2 THR 104 2HG2 THR 104 -12.178 10.440 7.810 314 3HG2 THR 104 3HG2 THR 104 -13.222 9.830 6.523 315 H THR 105 HN THR 105 -11.803 5.849 6.573 316 HA THR 105 HA THR 105 -14.696 5.448 6.928 317 HB THR 105 HB THR 105 -14.745 4.631 4.801 318 HG1 THR 105 1HG THR 105 -12.808 3.744 3.787 319 1HG2 THR 105 1HG2 THR 105 -13.941 6.891 4.517 320 2HG2 THR 105 2HG2 THR 105 -13.262 5.836 3.277 321 3HG2 THR 105 3HG2 THR 105 -12.277 6.322 4.659 322 H GLY 106 HN GLY 106 -11.558 4.064 6.990 323 1HA GLY 106 1HA GLY 106 -10.645 2.410 8.211 324 2HA GLY 106 2HA GLY 106 -12.217 2.022 8.852 325 H GLN 107 HN GLN 107 -12.544 2.128 5.566 326 HA GLN 107 HA GLN 107 -13.033 -0.529 5.204 327 1HB GLN 107 2HB GLN 107 -12.391 1.734 3.433 328 2HB GLN 107 3HB GLN 107 -12.425 0.125 2.734 329 1HG GLN 107 2HG GLN 107 -14.607 0.459 2.510 330 2HG GLN 107 3HG GLN 107 -14.670 0.149 4.244 331 1HE2 GLN 107 1HE2 GLN 107 -14.329 2.724 1.853 332 2HE2 GLN 107 2HE2 GLN 107 -15.089 3.951 2.802 333 H GLU 108 HN GLU 108 -11.834 -2.255 5.178 334 HA GLU 108 HA GLU 108 -8.942 -1.995 5.120 335 1HB GLU 108 2HB GLU 108 -10.656 -4.431 5.573 336 2HB GLU 108 3HB GLU 108 -8.923 -4.348 5.784 337 1HG GLU 108 2HG GLU 108 -9.132 -3.560 7.824 338 2HG GLU 108 3HG GLU 108 -10.219 -2.281 7.294 339 H GLY 109 HN GLY 109 -7.570 -2.942 3.662 340 1HA GLY 109 1HA GLY 109 -8.213 -4.751 1.651 341 2HA GLY 109 2HA GLY 109 -8.485 -3.149 0.987 342 H PHE 110 HN PHE 110 -6.685 -4.444 -0.345 343 HA PHE 110 HA PHE 110 -4.035 -4.097 0.746 344 1HB PHE 110 2HB PHE 110 -5.257 -5.409 -1.607 345 2HB PHE 110 3HB PHE 110 -3.631 -4.795 -1.826 346 HD1 PHE 110 1HD PHE 110 -2.277 -6.679 -1.886 347 HD2 PHE 110 2HD PHE 110 -5.203 -6.302 1.184 348 HE1 PHE 110 1HE PHE 110 -1.377 -8.688 -0.787 349 HE2 PHE 110 2HE PHE 110 -4.307 -8.310 2.288 350 HZ PHE 110 HZ PHE 110 -2.392 -9.506 1.303 351 H ILE 111 HN ILE 111 -2.422 -2.752 -0.226 352 HA ILE 111 HA ILE 111 -3.342 -0.738 -2.125 353 HB ILE 111 HB ILE 111 -2.619 1.141 -0.755 354 1HG1 ILE 111 2HG1 ILE 111 -2.430 -0.576 1.679 355 2HG1 ILE 111 3HG1 ILE 111 -1.059 -0.531 0.581 356 1HG2 ILE 111 1HG2 ILE 111 -4.513 1.296 0.569 357 2HG2 ILE 111 2HG2 ILE 111 -4.971 0.091 -0.634 358 3HG2 ILE 111 3HG2 ILE 111 -4.489 -0.419 0.985 359 1HD1 ILE 111 1HD1 ILE 111 -0.460 1.143 1.964 360 2HD1 ILE 111 2HD1 ILE 111 -1.430 2.075 0.823 361 3HD1 ILE 111 3HD1 ILE 111 -2.127 1.565 2.361 362 HA PRO 112 HA PRO 112 0.661 -1.096 -3.876 363 1HB PRO 112 2HB PRO 112 0.940 1.633 -4.512 364 2HB PRO 112 3HB PRO 112 0.267 0.379 -5.553 365 1HG PRO 112 2HG PRO 112 -1.127 2.384 -3.884 366 2HG PRO 112 3HG PRO 112 -1.635 1.625 -5.391 367 1HD PRO 112 2HD PRO 112 -2.676 0.959 -2.996 368 2HD PRO 112 3HD PRO 112 -2.517 -0.194 -4.329 369 H PHE 113 HN PHE 113 2.202 -1.481 -2.347 370 HA PHE 113 HA PHE 113 2.723 -0.042 -0.066 371 1HB PHE 113 2HB PHE 113 4.606 -1.353 0.221 372 2HB PHE 113 3HB PHE 113 3.665 -2.328 -0.899 373 HD1 PHE 113 1HD PHE 113 6.826 -1.742 -0.196 374 HD2 PHE 113 2HD PHE 113 4.190 -1.121 -3.478 375 HE1 PHE 113 1HE PHE 113 8.742 -1.783 -1.738 376 HE2 PHE 113 2HE PHE 113 6.101 -1.160 -5.026 377 HZ PHE 113 HZ PHE 113 8.382 -1.492 -4.157 378 H ASN 114 HN ASN 114 3.632 0.768 -3.310 379 HA ASN 114 HA ASN 114 5.480 2.829 -2.361 380 1HB ASN 114 2HB ASN 114 5.909 3.128 -4.848 381 2HB ASN 114 3HB ASN 114 6.405 1.587 -4.158 382 1HD2 ASN 114 1HD2 ASN 114 6.327 0.599 -6.179 383 2HD2 ASN 114 2HD2 ASN 114 4.829 0.193 -6.940 384 H PHE 115 HN PHE 115 2.587 3.025 -1.953 385 HA PHE 115 HA PHE 115 2.026 5.406 -3.602 386 1HB PHE 115 2HB PHE 115 0.480 3.086 -3.239 387 2HB PHE 115 3HB PHE 115 -0.322 4.339 -2.309 388 HD1 PHE 115 1HD PHE 115 -2.196 4.862 -3.525 389 HD2 PHE 115 2HD PHE 115 1.561 4.633 -5.500 390 HE1 PHE 115 1HE PHE 115 -3.225 5.744 -5.564 391 HE2 PHE 115 2HE PHE 115 0.538 5.519 -7.554 392 HZ PHE 115 HZ PHE 115 -1.862 6.078 -7.591 393 H VAL 116 HN VAL 116 2.266 4.124 -0.379 394 HA VAL 116 HA VAL 116 1.296 6.693 0.682 395 HB VAL 116 HB VAL 116 0.912 5.462 2.816 396 1HG1 VAL 116 1HG1 VAL 116 -1.215 4.998 2.219 397 2HG1 VAL 116 2HG1 VAL 116 -0.714 5.815 0.738 398 3HG1 VAL 116 3HG1 VAL 116 -0.732 4.052 0.811 399 1HG2 VAL 116 1HG2 VAL 116 0.668 2.957 2.574 400 2HG2 VAL 116 2HG2 VAL 116 1.598 3.097 1.085 401 3HG2 VAL 116 3HG2 VAL 116 2.324 3.561 2.625 402 H ALA 117 HN ALA 117 2.316 7.678 2.385 403 HA ALA 117 HA ALA 117 4.975 6.714 3.152 404 1HB ALA 117 1HB ALA 117 4.399 9.054 1.546 405 2HB ALA 117 2HB ALA 117 5.236 9.486 3.036 406 3HB ALA 117 3HB ALA 117 5.951 8.312 1.931 407 H LYS 118 HN LYS 118 5.531 7.200 5.274 408 HA LYS 118 HA LYS 118 3.698 7.309 7.233 409 1HB LYS 118 2HB LYS 118 6.412 8.636 7.277 410 2HB LYS 118 3HB LYS 118 5.440 8.321 8.706 411 1HG LYS 118 2HG LYS 118 6.729 6.331 6.866 412 2HG LYS 118 3HG LYS 118 7.023 6.585 8.588 413 1HD LYS 118 2HD LYS 118 4.738 5.827 9.072 414 2HD LYS 118 3HD LYS 118 4.479 5.540 7.353 415 1HE LYS 118 2HE LYS 118 5.711 3.642 7.346 416 2HE LYS 118 3HE LYS 118 6.860 4.259 8.532 417 1HZ LYS 118 1HZ LYS 118 4.804 4.005 10.109 418 2HZ LYS 118 2HZ LYS 118 5.795 2.679 9.758 419 3HZ LYS 118 3HZ LYS 118 4.318 2.865 8.956 420 H ALA 119 HN ALA 119 2.484 8.749 8.351 421 HA ALA 119 HA ALA 119 1.806 11.212 7.093 422 1HB ALA 119 1HB ALA 119 0.925 9.797 9.564 423 2HB ALA 119 2HB ALA 119 0.578 11.518 9.420 424 3HB ALA 119 3HB ALA 119 -0.026 10.399 8.200 425 H ASN 120 HN ASN 120 4.392 11.580 7.366 426 HA ASN 120 HA ASN 120 4.796 13.217 9.773 427 1HB ASN 120 2HB ASN 120 6.590 11.585 8.074 428 2HB ASN 120 3HB ASN 120 7.261 13.102 8.666 429 1HD2 ASN 120 1HD2 ASN 120 5.635 10.148 9.702 430 2HD2 ASN 120 2HD2 ASN 120 6.361 10.085 11.267 Start of MODEL 2 1 H ASN 64 HN ASN 64 1.326 2.923 12.865 2 HA ASN 64 HA ASN 64 3.467 2.168 11.145 3 1HB ASN 64 2HB ASN 64 1.369 0.128 11.808 4 2HB ASN 64 3HB ASN 64 2.030 0.192 10.181 5 1HD2 ASN 64 1HD2 ASN 64 2.271 -1.981 11.951 6 2HD2 ASN 64 2HD2 ASN 64 3.949 -2.198 12.300 7 H LEU 65 HN LEU 65 1.327 4.204 11.597 8 HA LEU 65 HA LEU 65 -0.426 3.864 9.345 9 1HB LEU 65 2HB LEU 65 -1.419 4.938 11.156 10 2HB LEU 65 3HB LEU 65 -0.092 6.051 11.364 11 HG LEU 65 HG LEU 65 -0.711 7.133 9.268 12 1HD1 LEU 65 1HD1 LEU 65 -3.323 6.190 8.865 13 2HD1 LEU 65 2HD1 LEU 65 -1.937 6.053 7.781 14 3HD1 LEU 65 3HD1 LEU 65 -2.270 4.778 8.954 15 1HD2 LEU 65 1HD2 LEU 65 -2.800 8.173 10.048 16 2HD2 LEU 65 2HD2 LEU 65 -2.968 6.892 11.248 17 3HD2 LEU 65 3HD2 LEU 65 -1.612 8.017 11.343 18 H VAL 66 HN VAL 66 -0.451 4.920 7.521 19 HA VAL 66 HA VAL 66 1.876 6.583 6.820 20 HB VAL 66 HB VAL 66 1.492 5.623 4.500 21 1HG1 VAL 66 1HG1 VAL 66 2.846 3.572 5.058 22 2HG1 VAL 66 2HG1 VAL 66 3.490 5.102 5.656 23 3HG1 VAL 66 3HG1 VAL 66 2.641 4.013 6.754 24 1HG2 VAL 66 1HG2 VAL 66 0.589 3.308 4.484 25 2HG2 VAL 66 2HG2 VAL 66 0.035 3.567 6.136 26 3HG2 VAL 66 3HG2 VAL 66 -0.621 4.544 4.822 27 H ILE 67 HN ILE 67 1.350 7.494 4.464 28 HA ILE 67 HA ILE 67 -1.378 8.416 4.259 29 HB ILE 67 HB ILE 67 0.713 10.096 5.345 30 1HG1 ILE 67 2HG1 ILE 67 -2.237 10.321 4.845 31 2HG1 ILE 67 3HG1 ILE 67 -1.436 9.905 6.331 32 1HG2 ILE 67 1HG2 ILE 67 0.205 12.113 3.995 33 2HG2 ILE 67 2HG2 ILE 67 1.087 10.883 3.089 34 3HG2 ILE 67 3HG2 ILE 67 -0.647 11.091 2.840 35 1HD1 ILE 67 1HD1 ILE 67 -2.311 12.427 5.461 36 2HD1 ILE 67 2HD1 ILE 67 -1.460 12.023 6.954 37 3HD1 ILE 67 3HD1 ILE 67 -0.547 12.476 5.514 38 H ALA 68 HN ALA 68 -2.008 8.430 2.248 39 HA ALA 68 HA ALA 68 -0.315 7.628 0.144 40 1HB ALA 68 1HB ALA 68 -2.795 8.940 -0.681 41 2HB ALA 68 2HB ALA 68 -2.208 7.310 -1.003 42 3HB ALA 68 3HB ALA 68 -3.007 7.672 0.526 43 H LEU 69 HN LEU 69 0.293 8.696 -1.753 44 HA LEU 69 HA LEU 69 0.499 11.629 -1.511 45 1HB LEU 69 2HB LEU 69 2.477 9.629 -2.593 46 2HB LEU 69 3HB LEU 69 2.628 11.359 -2.840 47 HG LEU 69 HG LEU 69 2.633 9.978 -0.151 48 1HD1 LEU 69 1HD1 LEU 69 4.717 9.450 -1.000 49 2HD1 LEU 69 2HD1 LEU 69 4.814 10.922 -1.970 50 3HD1 LEU 69 3HD1 LEU 69 5.035 10.999 -0.223 51 1HD2 LEU 69 1HD2 LEU 69 3.352 12.219 0.657 52 2HD2 LEU 69 2HD2 LEU 69 2.993 12.865 -0.943 53 3HD2 LEU 69 3HD2 LEU 69 1.700 12.180 0.042 54 H HIS 70 HN HIS 70 -1.312 9.567 -3.015 55 HA HIS 70 HA HIS 70 -1.732 11.177 -5.320 56 1HB HIS 70 2HB HIS 70 -1.311 8.702 -6.596 57 2HB HIS 70 3HB HIS 70 -0.378 10.176 -6.802 58 HD1 HIS 70 1HD HIS 70 1.903 9.135 -7.045 59 HD2 HIS 70 2HD HIS 70 -0.068 7.874 -3.616 60 HE1 HIS 70 1HE HIS 70 3.621 7.882 -5.709 61 HE2 HIS 70 2HE HIS 70 2.450 7.297 -3.559 62 H SER 71 HN SER 71 -3.751 10.832 -6.189 63 HA SER 71 HA SER 71 -5.665 9.478 -4.675 64 1HB SER 71 2HB SER 71 -6.231 9.809 -7.569 65 2HB SER 71 3HB SER 71 -7.192 10.285 -6.171 66 HG SER 71 HG SER 71 -6.407 12.130 -7.163 67 H TYR 72 HN TYR 72 -6.145 7.389 -4.492 68 HA TYR 72 HA TYR 72 -5.030 5.550 -6.493 69 1HB TYR 72 2HB TYR 72 -4.397 5.253 -4.081 70 2HB TYR 72 3HB TYR 72 -6.070 4.834 -3.757 71 HD1 TYR 72 1HD TYR 72 -3.805 3.879 -6.570 72 HD2 TYR 72 2HD TYR 72 -6.144 2.575 -3.267 73 HE1 TYR 72 1HE TYR 72 -3.359 1.544 -7.183 74 HE2 TYR 72 2HE TYR 72 -5.693 0.236 -3.864 75 HH TYR 72 HH TYR 72 -5.084 -1.048 -5.906 76 H GLU 73 HN GLU 73 -6.183 3.924 -7.425 77 HA GLU 73 HA GLU 73 -9.062 3.813 -6.987 78 1HB GLU 73 2HB GLU 73 -7.773 4.906 -9.255 79 2HB GLU 73 3HB GLU 73 -8.577 3.431 -9.744 80 1HG GLU 73 2HG GLU 73 -10.679 4.240 -9.025 81 2HG GLU 73 3HG GLU 73 -9.929 5.592 -8.177 82 HA PRO 74 HA PRO 74 -7.397 -0.390 -6.303 83 1HB PRO 74 2HB PRO 74 -10.185 -1.131 -6.214 84 2HB PRO 74 3HB PRO 74 -9.017 -1.061 -4.894 85 1HG PRO 74 2HG PRO 74 -11.027 0.923 -5.717 86 2HG PRO 74 3HG PRO 74 -10.221 0.716 -4.153 87 1HD PRO 74 2HD PRO 74 -9.649 2.787 -5.799 88 2HD PRO 74 3HD PRO 74 -8.411 2.018 -4.779 89 H SER 75 HN SER 75 -6.728 -1.563 -7.949 90 HA SER 75 HA SER 75 -8.565 -2.041 -10.202 91 1HB SER 75 2HB SER 75 -6.586 -0.640 -10.796 92 2HB SER 75 3HB SER 75 -5.539 -1.976 -10.316 93 HG SER 75 HG SER 75 -7.552 -2.169 -12.306 94 H HIS 76 HN HIS 76 -6.109 -3.390 -8.072 95 HA HIS 76 HA HIS 76 -6.342 -6.043 -9.182 96 1HB HIS 76 2HB HIS 76 -4.730 -4.747 -7.041 97 2HB HIS 76 3HB HIS 76 -5.014 -6.479 -6.894 98 HD1 HIS 76 1HD HIS 76 -4.230 -4.432 -10.003 99 HD2 HIS 76 2HD HIS 76 -2.699 -7.581 -7.767 100 HE1 HIS 76 1HE HIS 76 -2.231 -5.256 -11.285 101 HE2 HIS 76 2HE HIS 76 -1.369 -7.214 -9.956 102 H ASP 77 HN ASP 77 -6.700 -7.883 -7.513 103 HA ASP 77 HA ASP 77 -9.358 -7.523 -6.461 104 1HB ASP 77 2HB ASP 77 -8.225 -9.632 -7.607 105 2HB ASP 77 3HB ASP 77 -7.788 -10.008 -5.943 106 H GLY 78 HN GLY 78 -10.011 -7.588 -4.331 107 1HA GLY 78 1HA GLY 78 -9.853 -7.275 -2.059 108 2HA GLY 78 2HA GLY 78 -8.402 -8.261 -2.135 109 H ASP 79 HN ASP 79 -8.926 -5.151 -3.731 110 HA ASP 79 HA ASP 79 -6.646 -4.102 -2.210 111 1HB ASP 79 2HB ASP 79 -7.834 -3.257 -4.853 112 2HB ASP 79 3HB ASP 79 -6.552 -2.373 -4.031 113 H LEU 80 HN LEU 80 -6.685 -1.920 -1.473 114 HA LEU 80 HA LEU 80 -9.391 -0.991 -0.788 115 1HB LEU 80 2HB LEU 80 -8.505 -1.377 1.275 116 2HB LEU 80 3HB LEU 80 -6.856 -1.179 0.728 117 HG LEU 80 HG LEU 80 -7.507 1.358 0.611 118 1HD1 LEU 80 1HD1 LEU 80 -9.050 1.639 2.760 119 2HD1 LEU 80 2HD1 LEU 80 -9.709 1.567 1.125 120 3HD1 LEU 80 3HD1 LEU 80 -9.722 0.129 2.144 121 1HD2 LEU 80 1HD2 LEU 80 -6.525 -0.372 2.744 122 2HD2 LEU 80 2HD2 LEU 80 -5.869 1.138 2.115 123 3HD2 LEU 80 3HD2 LEU 80 -7.160 1.171 3.317 124 H GLY 81 HN GLY 81 -10.014 0.951 -1.516 125 1HA GLY 81 1HA GLY 81 -8.063 2.525 -3.014 126 2HA GLY 81 2HA GLY 81 -9.804 2.717 -3.077 127 H PHE 82 HN PHE 82 -7.579 4.639 -2.635 128 HA PHE 82 HA PHE 82 -8.788 5.999 -0.371 129 1HB PHE 82 2HB PHE 82 -6.352 6.595 0.369 130 2HB PHE 82 3HB PHE 82 -7.084 5.087 0.891 131 HD1 PHE 82 1HD PHE 82 -6.611 3.022 -0.657 132 HD2 PHE 82 2HD PHE 82 -4.248 6.558 -0.568 133 HE1 PHE 82 1HE PHE 82 -4.717 1.780 -1.613 134 HE2 PHE 82 2HE PHE 82 -2.343 5.313 -1.523 135 HZ PHE 82 HZ PHE 82 -2.583 2.922 -2.042 136 H GLU 83 HN GLU 83 -7.607 8.224 -0.119 137 HA GLU 83 HA GLU 83 -7.410 9.332 -2.836 138 1HB GLU 83 2HB GLU 83 -8.734 10.175 -0.391 139 2HB GLU 83 3HB GLU 83 -7.715 11.443 -1.048 140 1HG GLU 83 2HG GLU 83 -9.046 10.470 -3.256 141 2HG GLU 83 3HG GLU 83 -10.260 10.424 -1.980 142 H LYS 84 HN LYS 84 -6.072 11.463 -2.831 143 HA LYS 84 HA LYS 84 -3.408 10.759 -2.062 144 1HB LYS 84 2HB LYS 84 -3.587 11.962 -4.080 145 2HB LYS 84 3HB LYS 84 -4.635 13.173 -3.363 146 1HG LYS 84 2HG LYS 84 -2.638 13.807 -1.916 147 2HG LYS 84 3HG LYS 84 -1.677 12.814 -3.010 148 1HD LYS 84 2HD LYS 84 -1.974 14.240 -4.783 149 2HD LYS 84 3HD LYS 84 -3.488 14.888 -4.152 150 1HE LYS 84 2HE LYS 84 -1.681 15.630 -2.232 151 2HE LYS 84 3HE LYS 84 -0.732 15.765 -3.712 152 1HZ LYS 84 1HZ LYS 84 -1.984 17.468 -4.469 153 2HZ LYS 84 2HZ LYS 84 -2.271 17.713 -2.820 154 3HZ LYS 84 3HZ LYS 84 -3.414 16.901 -3.766 155 H GLY 85 HN GLY 85 -2.358 11.263 -0.248 156 1HA GLY 85 1HA GLY 85 -1.808 12.441 1.700 157 2HA GLY 85 2HA GLY 85 -3.169 13.523 1.396 158 H GLU 86 HN GLU 86 -4.627 10.731 0.978 159 HA GLU 86 HA GLU 86 -6.029 10.691 3.379 160 1HB GLU 86 2HB GLU 86 -6.296 9.467 0.968 161 2HB GLU 86 3HB GLU 86 -5.727 8.123 1.940 162 1HG GLU 86 2HG GLU 86 -8.331 9.053 1.659 163 2HG GLU 86 3HG GLU 86 -7.746 7.796 2.725 164 H GLN 87 HN GLN 87 -6.094 8.807 4.899 165 HA GLN 87 HA GLN 87 -3.368 7.832 5.419 166 1HB GLN 87 2HB GLN 87 -5.337 8.405 7.613 167 2HB GLN 87 3HB GLN 87 -3.607 8.141 7.738 168 1HG GLN 87 2HG GLN 87 -3.096 10.263 7.243 169 2HG GLN 87 3HG GLN 87 -4.404 10.416 6.074 170 1HE2 GLN 87 1HE2 GLN 87 -3.493 10.694 9.413 171 2HE2 GLN 87 2HE2 GLN 87 -4.898 11.552 9.939 172 H LEU 88 HN LEU 88 -3.123 5.832 6.237 173 HA LEU 88 HA LEU 88 -5.439 4.110 6.635 174 1HB LEU 88 2HB LEU 88 -3.328 2.972 4.900 175 2HB LEU 88 3HB LEU 88 -5.042 2.621 4.956 176 HG LEU 88 HG LEU 88 -4.441 5.298 3.936 177 1HD1 LEU 88 1HD1 LEU 88 -3.836 3.182 1.976 178 2HD1 LEU 88 2HD1 LEU 88 -3.197 4.820 2.119 179 3HD1 LEU 88 3HD1 LEU 88 -2.581 3.539 3.165 180 1HD2 LEU 88 1HD2 LEU 88 -6.111 4.708 2.339 181 2HD2 LEU 88 2HD2 LEU 88 -5.963 2.994 2.744 182 3HD2 LEU 88 3HD2 LEU 88 -6.647 4.126 3.917 183 H ARG 89 HN ARG 89 -5.092 2.797 8.271 184 HA ARG 89 HA ARG 89 -2.509 2.729 9.512 185 1HB ARG 89 2HB ARG 89 -4.342 2.886 10.998 186 2HB ARG 89 3HB ARG 89 -5.207 1.583 10.196 187 1HG ARG 89 2HG ARG 89 -3.621 -0.018 11.001 188 2HG ARG 89 3HG ARG 89 -2.643 1.262 11.701 189 1HD ARG 89 2HD ARG 89 -4.760 1.882 13.000 190 2HD ARG 89 3HD ARG 89 -5.334 0.282 12.562 191 HE ARG 89 HE ARG 89 -2.718 0.377 13.797 192 1HH1 ARG 89 2HH1 ARG 89 -6.154 -0.007 14.289 193 2HH1 ARG 89 1HH1 ARG 89 -5.971 -0.829 15.802 194 1HH2 ARG 89 2HH2 ARG 89 -2.479 -0.702 15.788 195 2HH2 ARG 89 1HH2 ARG 89 -3.887 -1.223 16.653 196 H ILE 90 HN ILE 90 -1.074 1.539 8.482 197 HA ILE 90 HA ILE 90 -1.553 -0.639 6.833 198 HB ILE 90 HB ILE 90 1.004 -0.143 8.362 199 1HG1 ILE 90 2HG1 ILE 90 0.218 1.873 7.177 200 2HG1 ILE 90 3HG1 ILE 90 1.698 1.242 6.487 201 1HG2 ILE 90 1HG2 ILE 90 1.992 -1.666 7.054 202 2HG2 ILE 90 2HG2 ILE 90 0.354 -2.249 6.756 203 3HG2 ILE 90 3HG2 ILE 90 1.114 -1.136 5.617 204 1HD1 ILE 90 1HD1 ILE 90 -0.792 1.771 5.223 205 2HD1 ILE 90 2HD1 ILE 90 0.726 1.228 4.505 206 3HD1 ILE 90 3HD1 ILE 90 -0.441 0.047 5.097 207 H LEU 91 HN LEU 91 -2.418 -2.464 7.307 208 HA LEU 91 HA LEU 91 -2.310 -3.646 9.935 209 1HB LEU 91 2HB LEU 91 -3.324 -4.884 7.379 210 2HB LEU 91 3HB LEU 91 -3.780 -5.296 9.021 211 HG LEU 91 HG LEU 91 -4.419 -2.705 7.610 212 1HD1 LEU 91 1HD1 LEU 91 -6.801 -3.591 7.927 213 2HD1 LEU 91 2HD1 LEU 91 -5.818 -4.241 6.614 214 3HD1 LEU 91 3HD1 LEU 91 -6.029 -5.171 8.097 215 1HD2 LEU 91 1HD2 LEU 91 -4.449 -3.441 10.399 216 2HD2 LEU 91 2HD2 LEU 91 -4.718 -1.869 9.646 217 3HD2 LEU 91 3HD2 LEU 91 -6.061 -2.996 9.838 218 H GLU 92 HN GLU 92 -1.159 -4.340 6.692 219 HA GLU 92 HA GLU 92 1.121 -5.762 7.789 220 1HB GLU 92 2HB GLU 92 -1.074 -7.111 6.573 221 2HB GLU 92 3HB GLU 92 0.311 -7.221 5.493 222 1HG GLU 92 2HG GLU 92 1.122 -8.848 6.741 223 2HG GLU 92 3HG GLU 92 1.291 -7.691 8.064 224 H GLN 93 HN GLN 93 2.952 -5.382 6.671 225 HA GLN 93 HA GLN 93 2.671 -3.912 4.153 226 1HB GLN 93 2HB GLN 93 4.937 -2.888 4.952 227 2HB GLN 93 3HB GLN 93 3.412 -2.245 5.536 228 1HG GLN 93 2HG GLN 93 3.644 -3.777 7.485 229 2HG GLN 93 3HG GLN 93 5.256 -4.114 6.902 230 1HE2 GLN 93 1HE2 GLN 93 6.864 -2.572 7.090 231 2HE2 GLN 93 2HE2 GLN 93 6.678 -1.147 8.050 232 H SER 94 HN SER 94 2.965 -6.710 4.379 233 HA SER 94 HA SER 94 5.733 -7.212 3.586 234 1HB SER 94 2HB SER 94 4.248 -9.597 3.409 235 2HB SER 94 3HB SER 94 5.382 -9.142 4.678 236 HG SER 94 HG SER 94 2.585 -8.671 4.614 237 H GLY 95 HN GLY 95 6.277 -7.238 1.510 238 1HA GLY 95 1HA GLY 95 6.057 -7.878 -0.756 239 2HA GLY 95 2HA GLY 95 4.344 -8.143 -0.484 240 H GLU 96 HN GLU 96 5.451 -6.810 -2.668 241 HA GLU 96 HA GLU 96 5.610 -4.073 -2.612 242 1HB GLU 96 2HB GLU 96 6.061 -4.813 -4.698 243 2HB GLU 96 3HB GLU 96 4.878 -6.110 -4.600 244 1HG GLU 96 2HG GLU 96 3.114 -4.634 -5.060 245 2HG GLU 96 3HG GLU 96 4.175 -3.231 -4.974 246 H TRP 97 HN TRP 97 2.817 -6.012 -2.008 247 HA TRP 97 HA TRP 97 1.123 -3.612 -2.148 248 1HB TRP 97 2HB TRP 97 0.512 -6.528 -2.544 249 2HB TRP 97 3HB TRP 97 -0.759 -5.383 -2.130 250 HD1 TRP 97 1HD TRP 97 1.618 -6.315 -4.975 251 HE1 TRP 97 1HE TRP 97 0.843 -5.131 -7.125 252 HE3 TRP 97 3HE TRP 97 -2.050 -3.361 -2.998 253 HZ2 TRP 97 2HZ TRP 97 -1.069 -3.194 -7.880 254 HZ3 TRP 97 3HZ TRP 97 -3.302 -1.871 -4.490 255 HH2 TRP 97 2HH TRP 97 -2.817 -1.784 -6.884 256 H TRP 98 HN TRP 98 1.018 -2.719 -0.186 257 HA TRP 98 HA TRP 98 1.122 -4.368 2.200 258 1HB TRP 98 2HB TRP 98 1.094 -1.385 1.794 259 2HB TRP 98 3HB TRP 98 1.051 -2.142 3.377 260 HD1 TRP 98 1HD TRP 98 3.227 -4.267 1.414 261 HE1 TRP 98 1HE TRP 98 5.706 -3.686 1.804 262 HE3 TRP 98 3HE TRP 98 2.622 0.247 3.661 263 HZ2 TRP 98 2HZ TRP 98 7.208 -1.553 2.917 264 HZ3 TRP 98 3HZ TRP 98 4.613 1.519 4.358 265 HH2 TRP 98 2HH TRP 98 6.863 0.630 3.997 266 H LYS 99 HN LYS 99 -0.455 -4.655 3.660 267 HA LYS 99 HA LYS 99 -3.177 -4.072 2.833 268 1HB LYS 99 2HB LYS 99 -2.705 -6.308 3.682 269 2HB LYS 99 3HB LYS 99 -2.045 -5.634 5.162 270 1HG LYS 99 2HG LYS 99 -4.430 -6.604 5.181 271 2HG LYS 99 3HG LYS 99 -4.118 -5.070 5.998 272 1HD LYS 99 2HD LYS 99 -5.126 -3.830 4.344 273 2HD LYS 99 3HD LYS 99 -5.017 -5.128 3.151 274 1HE LYS 99 2HE LYS 99 -6.537 -6.045 5.387 275 2HE LYS 99 3HE LYS 99 -7.176 -4.491 4.862 276 1HZ LYS 99 1HZ LYS 99 -6.796 -5.817 2.533 277 2HZ LYS 99 2HZ LYS 99 -8.272 -5.683 3.349 278 3HZ LYS 99 3HZ LYS 99 -7.305 -7.053 3.571 279 H ALA 100 HN ALA 100 -4.062 -2.172 3.423 280 HA ALA 100 HA ALA 100 -3.230 -1.030 6.011 281 1HB ALA 100 1HB ALA 100 -2.651 0.131 3.689 282 2HB ALA 100 2HB ALA 100 -4.274 0.791 3.921 283 3HB ALA 100 3HB ALA 100 -3.030 1.053 5.147 284 H GLN 101 HN GLN 101 -4.754 -0.126 7.324 285 HA GLN 101 HA GLN 101 -7.543 -0.621 6.527 286 1HB GLN 101 2HB GLN 101 -7.028 -1.903 8.487 287 2HB GLN 101 3HB GLN 101 -6.272 -0.532 9.272 288 1HG GLN 101 2HG GLN 101 -8.547 0.551 9.105 289 2HG GLN 101 3HG GLN 101 -9.177 -1.037 8.744 290 1HE2 GLN 101 1HE2 GLN 101 -7.689 0.992 11.145 291 2HE2 GLN 101 2HE2 GLN 101 -8.025 -0.017 12.505 292 H SER 102 HN SER 102 -8.428 1.186 5.833 293 HA SER 102 HA SER 102 -7.461 3.737 6.088 294 1HB SER 102 2HB SER 102 -9.884 2.456 5.185 295 2HB SER 102 3HB SER 102 -10.233 3.976 5.969 296 HG SER 102 HG SER 102 -8.785 3.480 3.649 297 H LEU 103 HN LEU 103 -8.576 5.578 7.256 298 HA LEU 103 HA LEU 103 -9.288 4.716 9.981 299 1HB LEU 103 2HB LEU 103 -7.395 6.857 9.098 300 2HB LEU 103 3HB LEU 103 -8.098 6.843 10.701 301 HG LEU 103 HG LEU 103 -7.192 4.288 10.528 302 1HD1 LEU 103 1HD1 LEU 103 -5.430 6.011 8.833 303 2HD1 LEU 103 2HD1 LEU 103 -4.834 4.560 9.640 304 3HD1 LEU 103 3HD1 LEU 103 -6.138 4.441 8.457 305 1HD2 LEU 103 1HD2 LEU 103 -5.644 4.847 12.132 306 2HD2 LEU 103 2HD2 LEU 103 -5.271 6.405 11.386 307 3HD2 LEU 103 3HD2 LEU 103 -6.789 6.186 12.257 308 H THR 104 HN THR 104 -9.942 6.830 7.346 309 HA THR 104 HA THR 104 -11.749 8.513 8.848 310 HB THR 104 HB THR 104 -11.656 8.332 5.854 311 HG1 THR 104 1HG THR 104 -9.721 9.547 7.529 312 1HG2 THR 104 1HG2 THR 104 -12.160 10.483 7.850 313 2HG2 THR 104 2HG2 THR 104 -13.205 9.899 6.552 314 3HG2 THR 104 3HG2 THR 104 -11.763 10.843 6.170 315 H THR 105 HN THR 105 -11.800 5.900 6.561 316 HA THR 105 HA THR 105 -14.699 5.509 6.874 317 HB THR 105 HB THR 105 -14.724 4.717 4.740 318 HG1 THR 105 1HG THR 105 -12.000 4.004 4.928 319 1HG2 THR 105 1HG2 THR 105 -12.223 6.361 4.647 320 2HG2 THR 105 2HG2 THR 105 -13.874 6.958 4.472 321 3HG2 THR 105 3HG2 THR 105 -13.188 5.891 3.246 322 H GLY 106 HN GLY 106 -11.573 4.108 6.985 323 1HA GLY 106 1HA GLY 106 -10.695 2.436 8.218 324 2HA GLY 106 2HA GLY 106 -12.288 2.035 8.797 325 H GLN 107 HN GLN 107 -12.590 2.196 5.536 326 HA GLN 107 HA GLN 107 -13.041 -0.441 5.080 327 1HB GLN 107 2HB GLN 107 -12.363 1.875 3.395 328 2HB GLN 107 3HB GLN 107 -12.353 0.289 2.646 329 1HG GLN 107 2HG GLN 107 -14.532 0.599 2.358 330 2HG GLN 107 3HG GLN 107 -14.654 0.252 4.081 331 1HE2 GLN 107 1HE2 GLN 107 -15.921 1.622 5.081 332 2HE2 GLN 107 2HE2 GLN 107 -16.086 3.306 4.737 333 H GLU 108 HN GLU 108 -11.848 -2.179 4.973 334 HA GLU 108 HA GLU 108 -8.945 -1.898 4.975 335 1HB GLU 108 2HB GLU 108 -10.774 -4.202 5.591 336 2HB GLU 108 3HB GLU 108 -9.040 -4.390 5.479 337 1HG GLU 108 2HG GLU 108 -8.774 -3.665 7.537 338 2HG GLU 108 3HG GLU 108 -9.656 -2.183 7.183 339 H GLY 109 HN GLY 109 -7.567 -3.064 3.618 340 1HA GLY 109 1HA GLY 109 -8.182 -4.807 1.589 341 2HA GLY 109 2HA GLY 109 -8.454 -3.213 0.903 342 H PHE 110 HN PHE 110 -6.631 -4.538 -0.386 343 HA PHE 110 HA PHE 110 -3.995 -4.137 0.724 344 1HB PHE 110 2HB PHE 110 -5.179 -5.540 -1.594 345 2HB PHE 110 3HB PHE 110 -3.559 -4.912 -1.824 346 HD1 PHE 110 1HD PHE 110 -5.158 -6.360 1.202 347 HD2 PHE 110 2HD PHE 110 -2.153 -6.754 -1.788 348 HE1 PHE 110 1HE PHE 110 -4.242 -8.315 2.382 349 HE2 PHE 110 2HE PHE 110 -1.233 -8.710 -0.613 350 HZ PHE 110 HZ PHE 110 -2.278 -9.492 1.475 351 H ILE 111 HN ILE 111 -2.489 -2.647 -0.001 352 HA ILE 111 HA ILE 111 -3.382 -0.728 -2.044 353 HB ILE 111 HB ILE 111 -2.610 1.156 -0.697 354 1HG1 ILE 111 2HG1 ILE 111 -2.432 -0.567 1.738 355 2HG1 ILE 111 3HG1 ILE 111 -1.064 -0.517 0.638 356 1HG2 ILE 111 1HG2 ILE 111 -4.496 -0.351 1.067 357 2HG2 ILE 111 2HG2 ILE 111 -4.501 1.355 0.616 358 3HG2 ILE 111 3HG2 ILE 111 -4.979 0.131 -0.560 359 1HD1 ILE 111 1HD1 ILE 111 -1.404 2.082 0.890 360 2HD1 ILE 111 2HD1 ILE 111 -2.138 1.584 2.415 361 3HD1 ILE 111 3HD1 ILE 111 -0.470 1.139 2.053 362 HA PRO 112 HA PRO 112 0.603 -1.081 -3.841 363 1HB PRO 112 2HB PRO 112 0.878 1.635 -4.507 364 2HB PRO 112 3HB PRO 112 0.166 0.381 -5.522 365 1HG PRO 112 2HG PRO 112 -1.165 2.406 -3.819 366 2HG PRO 112 3HG PRO 112 -1.715 1.660 -5.318 367 1HD PRO 112 2HD PRO 112 -2.712 0.994 -2.908 368 2HD PRO 112 3HD PRO 112 -2.591 -0.155 -4.245 369 H PHE 113 HN PHE 113 2.195 -1.442 -2.365 370 HA PHE 113 HA PHE 113 2.736 0.021 -0.092 371 1HB PHE 113 2HB PHE 113 4.620 -1.288 0.187 372 2HB PHE 113 3HB PHE 113 3.662 -2.278 -0.905 373 HD1 PHE 113 1HD PHE 113 4.161 -1.066 -3.506 374 HD2 PHE 113 2HD PHE 113 6.829 -1.733 -0.258 375 HE1 PHE 113 1HE PHE 113 6.052 -1.133 -5.078 376 HE2 PHE 113 2HE PHE 113 8.724 -1.801 -1.825 377 HZ PHE 113 HZ PHE 113 8.338 -1.500 -4.238 378 H ASN 114 HN ASN 114 3.568 0.800 -3.357 379 HA ASN 114 HA ASN 114 5.452 2.861 -2.478 380 1HB ASN 114 2HB ASN 114 5.879 3.121 -4.937 381 2HB ASN 114 3HB ASN 114 6.262 1.525 -4.304 382 1HD2 ASN 114 1HD2 ASN 114 3.747 3.367 -5.956 383 2HD2 ASN 114 2HD2 ASN 114 3.116 2.036 -6.860 384 H PHE 115 HN PHE 115 2.580 3.073 -1.981 385 HA PHE 115 HA PHE 115 1.979 5.448 -3.623 386 1HB PHE 115 2HB PHE 115 0.445 3.117 -3.238 387 2HB PHE 115 3HB PHE 115 -0.354 4.380 -2.318 388 HD1 PHE 115 1HD PHE 115 1.514 4.643 -5.522 389 HD2 PHE 115 2HD PHE 115 -2.234 4.878 -3.531 390 HE1 PHE 115 1HE PHE 115 0.477 5.501 -7.581 391 HE2 PHE 115 2HE PHE 115 -3.277 5.733 -5.576 392 HZ PHE 115 HZ PHE 115 -1.925 6.050 -7.613 393 H VAL 116 HN VAL 116 2.311 4.171 -0.414 394 HA VAL 116 HA VAL 116 1.314 6.721 0.668 395 HB VAL 116 HB VAL 116 0.954 5.478 2.798 396 1HG1 VAL 116 1HG1 VAL 116 -1.163 4.706 2.184 397 2HG1 VAL 116 2HG1 VAL 116 -0.781 5.957 1.001 398 3HG1 VAL 116 3HG1 VAL 116 -0.625 4.255 0.567 399 1HG2 VAL 116 1HG2 VAL 116 1.639 3.127 1.048 400 2HG2 VAL 116 2HG2 VAL 116 2.369 3.583 2.588 401 3HG2 VAL 116 3HG2 VAL 116 0.715 2.971 2.540 402 H ALA 117 HN ALA 117 2.329 7.695 2.379 403 HA ALA 117 HA ALA 117 4.998 6.751 3.132 404 1HB ALA 117 1HB ALA 117 4.395 9.107 1.549 405 2HB ALA 117 2HB ALA 117 5.254 9.517 3.033 406 3HB ALA 117 3HB ALA 117 5.951 8.357 1.902 407 H LYS 118 HN LYS 118 5.547 7.226 5.255 408 HA LYS 118 HA LYS 118 3.712 7.316 7.216 409 1HB LYS 118 2HB LYS 118 6.414 8.665 7.273 410 2HB LYS 118 3HB LYS 118 5.444 8.316 8.698 411 1HG LYS 118 2HG LYS 118 6.745 6.365 6.823 412 2HG LYS 118 3HG LYS 118 7.056 6.604 8.544 413 1HD LYS 118 2HD LYS 118 4.778 5.822 9.043 414 2HD LYS 118 3HD LYS 118 4.512 5.541 7.322 415 1HE LYS 118 2HE LYS 118 5.316 3.487 7.615 416 2HE LYS 118 3HE LYS 118 6.893 4.214 7.914 417 1HZ LYS 118 1HZ LYS 118 6.435 4.269 10.250 418 2HZ LYS 118 2HZ LYS 118 6.160 2.696 9.691 419 3HZ LYS 118 3HZ LYS 118 4.853 3.719 10.012 420 H ALA 119 HN ALA 119 2.485 8.745 8.335 421 HA ALA 119 HA ALA 119 1.795 11.210 7.089 422 1HB ALA 119 1HB ALA 119 -0.026 10.363 8.199 423 2HB ALA 119 2HB ALA 119 0.935 9.795 9.570 424 3HB ALA 119 3HB ALA 119 0.560 11.509 9.403 425 H ASN 120 HN ASN 120 4.387 11.582 7.369 426 HA ASN 120 HA ASN 120 4.555 13.848 9.126 427 1HB ASN 120 2HB ASN 120 6.693 12.949 10.213 428 2HB ASN 120 3HB ASN 120 5.164 12.307 10.804 429 1HD2 ASN 120 1HD2 ASN 120 7.701 11.648 8.423 430 2HD2 ASN 120 2HD2 ASN 120 7.649 9.929 8.587 Start of MODEL 3 1 H ASN 64 HN ASN 64 1.164 2.971 12.906 2 HA ASN 64 HA ASN 64 3.368 2.248 11.270 3 1HB ASN 64 2HB ASN 64 1.296 0.160 11.838 4 2HB ASN 64 3HB ASN 64 1.958 0.276 10.215 5 1HD2 ASN 64 1HD2 ASN 64 2.252 -1.960 11.839 6 2HD2 ASN 64 2HD2 ASN 64 3.927 -2.146 12.217 7 H LEU 65 HN LEU 65 1.244 4.277 11.646 8 HA LEU 65 HA LEU 65 -0.444 3.947 9.339 9 1HB LEU 65 2HB LEU 65 -1.498 4.982 11.141 10 2HB LEU 65 3HB LEU 65 -0.196 6.117 11.391 11 HG LEU 65 HG LEU 65 -0.782 7.207 9.291 12 1HD1 LEU 65 1HD1 LEU 65 -3.357 6.204 8.801 13 2HD1 LEU 65 2HD1 LEU 65 -1.936 6.113 7.757 14 3HD1 LEU 65 3HD1 LEU 65 -2.273 4.818 8.909 15 1HD2 LEU 65 1HD2 LEU 65 -1.765 8.059 11.336 16 2HD2 LEU 65 2HD2 LEU 65 -2.927 8.183 10.014 17 3HD2 LEU 65 3HD2 LEU 65 -3.083 6.895 11.209 18 H VAL 66 HN VAL 66 -0.422 5.010 7.532 19 HA VAL 66 HA VAL 66 1.883 6.736 6.916 20 HB VAL 66 HB VAL 66 1.596 5.782 4.576 21 1HG1 VAL 66 1HG1 VAL 66 2.743 4.244 6.876 22 2HG1 VAL 66 2HG1 VAL 66 2.970 3.734 5.203 23 3HG1 VAL 66 3HG1 VAL 66 3.582 5.300 5.738 24 1HG2 VAL 66 1HG2 VAL 66 -0.497 4.638 4.845 25 2HG2 VAL 66 2HG2 VAL 66 0.760 3.447 4.510 26 3HG2 VAL 66 3HG2 VAL 66 0.165 3.662 6.157 27 H ILE 67 HN ILE 67 1.404 7.667 4.558 28 HA ILE 67 HA ILE 67 -1.350 8.530 4.322 29 HB ILE 67 HB ILE 67 0.719 10.242 5.391 30 1HG1 ILE 67 2HG1 ILE 67 -2.231 10.441 4.878 31 2HG1 ILE 67 3HG1 ILE 67 -1.434 10.034 6.370 32 1HG2 ILE 67 1HG2 ILE 67 1.097 11.017 3.136 33 2HG2 ILE 67 2HG2 ILE 67 -0.638 11.192 2.868 34 3HG2 ILE 67 3HG2 ILE 67 0.186 12.242 4.019 35 1HD1 ILE 67 1HD1 ILE 67 -0.563 12.611 5.537 36 2HD1 ILE 67 2HD1 ILE 67 -2.327 12.544 5.503 37 3HD1 ILE 67 3HD1 ILE 67 -1.457 12.153 6.987 38 H ALA 68 HN ALA 68 -1.980 8.498 2.312 39 HA ALA 68 HA ALA 68 -0.284 7.693 0.222 40 1HB ALA 68 1HB ALA 68 -2.741 8.969 -0.676 41 2HB ALA 68 2HB ALA 68 -2.180 7.309 -0.883 42 3HB ALA 68 3HB ALA 68 -2.996 7.785 0.607 43 H LEU 69 HN LEU 69 0.329 8.736 -1.684 44 HA LEU 69 HA LEU 69 0.517 11.672 -1.490 45 1HB LEU 69 2HB LEU 69 2.508 9.668 -2.542 46 2HB LEU 69 3HB LEU 69 2.648 11.395 -2.814 47 HG LEU 69 HG LEU 69 2.671 10.050 -0.109 48 1HD1 LEU 69 1HD1 LEU 69 4.756 9.529 -0.949 49 2HD1 LEU 69 2HD1 LEU 69 4.837 10.984 -1.945 50 3HD1 LEU 69 3HD1 LEU 69 5.064 11.095 -0.201 51 1HD2 LEU 69 1HD2 LEU 69 3.013 12.930 -0.929 52 2HD2 LEU 69 2HD2 LEU 69 1.716 12.249 0.052 53 3HD2 LEU 69 3HD2 LEU 69 3.364 12.300 0.680 54 H HIS 70 HN HIS 70 -1.286 9.579 -2.949 55 HA HIS 70 HA HIS 70 -1.722 11.136 -5.283 56 1HB HIS 70 2HB HIS 70 -1.289 8.671 -6.543 57 2HB HIS 70 3HB HIS 70 -0.327 10.131 -6.724 58 HD1 HIS 70 1HD HIS 70 1.895 8.927 -7.001 59 HD2 HIS 70 2HD HIS 70 -0.065 7.929 -3.481 60 HE1 HIS 70 1HE HIS 70 3.579 7.664 -5.634 61 HE2 HIS 70 2HE HIS 70 2.426 7.239 -3.438 62 H SER 71 HN SER 71 -3.734 10.750 -6.151 63 HA SER 71 HA SER 71 -5.633 9.400 -4.606 64 1HB SER 71 2HB SER 71 -6.210 9.718 -7.501 65 2HB SER 71 3HB SER 71 -7.175 10.184 -6.102 66 HG SER 71 HG SER 71 -6.038 12.033 -5.913 67 H TYR 72 HN TYR 72 -6.113 7.313 -4.415 68 HA TYR 72 HA TYR 72 -5.000 5.460 -6.406 69 1HB TYR 72 2HB TYR 72 -4.347 5.171 -4.005 70 2HB TYR 72 3HB TYR 72 -6.021 4.781 -3.652 71 HD1 TYR 72 1HD TYR 72 -3.738 3.752 -6.432 72 HD2 TYR 72 2HD TYR 72 -6.189 2.533 -3.177 73 HE1 TYR 72 1HE TYR 72 -3.337 1.400 -7.016 74 HE2 TYR 72 2HE TYR 72 -5.786 0.179 -3.748 75 HH TYR 72 HH TYR 72 -4.663 -0.841 -6.625 76 H GLU 73 HN GLU 73 -6.158 3.831 -7.327 77 HA GLU 73 HA GLU 73 -9.036 3.729 -6.876 78 1HB GLU 73 2HB GLU 73 -7.747 4.797 -9.157 79 2HB GLU 73 3HB GLU 73 -8.559 3.321 -9.632 80 1HG GLU 73 2HG GLU 73 -10.657 4.147 -8.912 81 2HG GLU 73 3HG GLU 73 -9.898 5.505 -8.083 82 HA PRO 74 HA PRO 74 -7.397 -0.479 -6.141 83 1HB PRO 74 2HB PRO 74 -10.201 -1.186 -6.106 84 2HB PRO 74 3HB PRO 74 -9.052 -1.145 -4.768 85 1HG PRO 74 2HG PRO 74 -11.020 0.876 -5.597 86 2HG PRO 74 3HG PRO 74 -10.222 0.653 -4.032 87 1HD PRO 74 2HD PRO 74 -9.617 2.719 -5.673 88 2HD PRO 74 3HD PRO 74 -8.392 1.931 -4.648 89 H SER 75 HN SER 75 -6.898 -1.980 -7.576 90 HA SER 75 HA SER 75 -8.625 -2.355 -9.926 91 1HB SER 75 2HB SER 75 -6.399 -1.009 -10.268 92 2HB SER 75 3HB SER 75 -5.647 -2.602 -10.184 93 HG SER 75 HG SER 75 -7.818 -2.039 -11.909 94 H HIS 76 HN HIS 76 -6.051 -3.711 -7.898 95 HA HIS 76 HA HIS 76 -6.459 -6.380 -8.903 96 1HB HIS 76 2HB HIS 76 -4.644 -5.086 -6.934 97 2HB HIS 76 3HB HIS 76 -4.969 -6.801 -6.710 98 HD1 HIS 76 1HD HIS 76 -2.943 -4.470 -8.658 99 HD2 HIS 76 2HD HIS 76 -4.205 -8.412 -9.012 100 HE1 HIS 76 1HE HIS 76 -1.444 -5.502 -10.393 101 HE2 HIS 76 2HE HIS 76 -2.172 -7.909 -10.531 102 H ASP 77 HN ASP 77 -7.303 -8.143 -7.747 103 HA ASP 77 HA ASP 77 -9.642 -7.645 -6.296 104 1HB ASP 77 2HB ASP 77 -7.965 -10.120 -6.670 105 2HB ASP 77 3HB ASP 77 -9.429 -10.136 -5.692 106 H GLY 78 HN GLY 78 -10.053 -7.290 -4.204 107 1HA GLY 78 1HA GLY 78 -9.772 -7.320 -1.900 108 2HA GLY 78 2HA GLY 78 -8.295 -8.241 -2.126 109 H ASP 79 HN ASP 79 -8.838 -5.205 -3.772 110 HA ASP 79 HA ASP 79 -6.586 -4.076 -2.287 111 1HB ASP 79 2HB ASP 79 -7.904 -3.318 -4.891 112 2HB ASP 79 3HB ASP 79 -6.708 -2.293 -4.102 113 H LEU 80 HN LEU 80 -6.655 -1.846 -1.611 114 HA LEU 80 HA LEU 80 -9.357 -0.993 -0.810 115 1HB LEU 80 2HB LEU 80 -8.456 -1.385 1.241 116 2HB LEU 80 3HB LEU 80 -6.810 -1.208 0.673 117 HG LEU 80 HG LEU 80 -7.341 1.324 0.605 118 1HD1 LEU 80 1HD1 LEU 80 -9.706 0.208 2.000 119 2HD1 LEU 80 2HD1 LEU 80 -9.006 1.695 2.639 120 3HD1 LEU 80 3HD1 LEU 80 -9.565 1.630 0.967 121 1HD2 LEU 80 1HD2 LEU 80 -5.977 1.303 2.349 122 2HD2 LEU 80 2HD2 LEU 80 -7.292 0.798 3.409 123 3HD2 LEU 80 3HD2 LEU 80 -6.316 -0.411 2.574 124 H GLY 81 HN GLY 81 -9.986 1.021 -1.370 125 1HA GLY 81 1HA GLY 81 -8.079 2.601 -2.931 126 2HA GLY 81 2HA GLY 81 -9.820 2.782 -2.960 127 H PHE 82 HN PHE 82 -7.521 4.658 -2.499 128 HA PHE 82 HA PHE 82 -8.718 6.029 -0.227 129 1HB PHE 82 2HB PHE 82 -6.254 6.633 0.446 130 2HB PHE 82 3HB PHE 82 -6.990 5.143 1.015 131 HD1 PHE 82 1HD PHE 82 -6.599 3.060 -0.566 132 HD2 PHE 82 2HD PHE 82 -4.154 6.539 -0.480 133 HE1 PHE 82 1HE PHE 82 -4.743 1.779 -1.543 134 HE2 PHE 82 2HE PHE 82 -2.286 5.253 -1.455 135 HZ PHE 82 HZ PHE 82 -2.586 2.873 -1.984 136 H GLU 83 HN GLU 83 -7.511 8.261 -0.001 137 HA GLU 83 HA GLU 83 -7.372 9.359 -2.728 138 1HB GLU 83 2HB GLU 83 -8.681 10.198 -0.272 139 2HB GLU 83 3HB GLU 83 -7.697 11.477 -0.962 140 1HG GLU 83 2HG GLU 83 -9.046 10.446 -3.135 141 2HG GLU 83 3HG GLU 83 -10.236 10.404 -1.836 142 H LYS 84 HN LYS 84 -6.036 11.451 -2.823 143 HA LYS 84 HA LYS 84 -3.368 10.820 -2.043 144 1HB LYS 84 2HB LYS 84 -3.482 12.008 -4.044 145 2HB LYS 84 3HB LYS 84 -4.678 13.131 -3.425 146 1HG LYS 84 2HG LYS 84 -2.727 13.877 -1.846 147 2HG LYS 84 3HG LYS 84 -1.716 13.125 -3.078 148 1HD LYS 84 2HD LYS 84 -3.834 15.142 -3.754 149 2HD LYS 84 3HD LYS 84 -2.194 15.620 -3.314 150 1HE LYS 84 2HE LYS 84 -1.371 14.114 -5.145 151 2HE LYS 84 3HE LYS 84 -3.050 13.911 -5.644 152 1HZ LYS 84 1HZ LYS 84 -3.187 16.311 -5.977 153 2HZ LYS 84 2HZ LYS 84 -1.974 15.627 -6.938 154 3HZ LYS 84 3HZ LYS 84 -1.563 16.480 -5.535 155 H GLY 85 HN GLY 85 -2.362 11.297 -0.210 156 1HA GLY 85 1HA GLY 85 -1.800 12.527 1.709 157 2HA GLY 85 2HA GLY 85 -3.188 13.573 1.412 158 H GLU 86 HN GLU 86 -4.698 10.868 1.012 159 HA GLU 86 HA GLU 86 -6.024 10.768 3.433 160 1HB GLU 86 2HB GLU 86 -6.348 9.572 1.028 161 2HB GLU 86 3HB GLU 86 -5.726 8.219 1.954 162 1HG GLU 86 2HG GLU 86 -8.347 9.077 1.763 163 2HG GLU 86 3HG GLU 86 -7.702 7.849 2.830 164 H GLN 87 HN GLN 87 -6.064 8.862 4.929 165 HA GLN 87 HA GLN 87 -3.330 7.893 5.408 166 1HB GLN 87 2HB GLN 87 -5.273 8.442 7.628 167 2HB GLN 87 3HB GLN 87 -3.541 8.191 7.732 168 1HG GLN 87 2HG GLN 87 -3.063 10.326 7.290 169 2HG GLN 87 3HG GLN 87 -4.338 10.468 6.085 170 1HE2 GLN 87 1HE2 GLN 87 -4.030 10.003 9.591 171 2HE2 GLN 87 2HE2 GLN 87 -5.264 11.131 10.022 172 H LEU 88 HN LEU 88 -3.074 5.880 6.178 173 HA LEU 88 HA LEU 88 -5.394 4.161 6.586 174 1HB LEU 88 2HB LEU 88 -3.282 3.032 4.846 175 2HB LEU 88 3HB LEU 88 -4.996 2.678 4.902 176 HG LEU 88 HG LEU 88 -4.428 5.364 3.901 177 1HD1 LEU 88 1HD1 LEU 88 -2.520 3.640 3.136 178 2HD1 LEU 88 2HD1 LEU 88 -3.751 3.295 1.919 179 3HD1 LEU 88 3HD1 LEU 88 -3.134 4.937 2.108 180 1HD2 LEU 88 1HD2 LEU 88 -6.581 4.720 3.505 181 2HD2 LEU 88 2HD2 LEU 88 -5.830 4.182 1.997 182 3HD2 LEU 88 3HD2 LEU 88 -6.138 3.020 3.289 183 H ARG 89 HN ARG 89 -5.059 2.851 8.217 184 HA ARG 89 HA ARG 89 -2.480 2.768 9.466 185 1HB ARG 89 2HB ARG 89 -4.312 2.930 10.949 186 2HB ARG 89 3HB ARG 89 -5.188 1.639 10.139 187 1HG ARG 89 2HG ARG 89 -3.617 0.020 10.938 188 2HG ARG 89 3HG ARG 89 -2.632 1.289 11.651 189 1HD ARG 89 2HD ARG 89 -4.748 1.915 12.946 190 2HD ARG 89 3HD ARG 89 -5.335 0.324 12.493 191 HE ARG 89 HE ARG 89 -2.723 0.409 13.749 192 1HH1 ARG 89 2HH1 ARG 89 -6.161 -0.032 14.186 193 2HH1 ARG 89 1HH1 ARG 89 -5.987 -0.888 15.680 194 1HH2 ARG 89 2HH2 ARG 89 -2.497 -0.716 15.716 195 2HH2 ARG 89 1HH2 ARG 89 -3.908 -1.276 16.549 196 H ILE 90 HN ILE 90 -1.048 1.570 8.437 197 HA ILE 90 HA ILE 90 -1.544 -0.603 6.787 198 HB ILE 90 HB ILE 90 1.026 -0.146 8.299 199 1HG1 ILE 90 2HG1 ILE 90 0.232 1.904 7.159 200 2HG1 ILE 90 3HG1 ILE 90 1.718 1.290 6.472 201 1HG2 ILE 90 1HG2 ILE 90 1.969 -1.668 6.964 202 2HG2 ILE 90 2HG2 ILE 90 0.320 -2.195 6.628 203 3HG2 ILE 90 3HG2 ILE 90 1.124 -1.067 5.537 204 1HD1 ILE 90 1HD1 ILE 90 0.768 1.314 4.479 205 2HD1 ILE 90 2HD1 ILE 90 -0.411 0.128 5.036 206 3HD1 ILE 90 3HD1 ILE 90 -0.753 1.850 5.190 207 H LEU 91 HN LEU 91 -2.443 -2.413 7.286 208 HA LEU 91 HA LEU 91 -2.310 -3.586 9.916 209 1HB LEU 91 2HB LEU 91 -3.374 -4.855 7.397 210 2HB LEU 91 3HB LEU 91 -3.842 -5.191 9.051 211 HG LEU 91 HG LEU 91 -4.410 -2.634 7.556 212 1HD1 LEU 91 1HD1 LEU 91 -5.945 -3.958 6.585 213 2HD1 LEU 91 2HD1 LEU 91 -5.947 -5.126 7.907 214 3HD1 LEU 91 3HD1 LEU 91 -6.831 -3.607 8.069 215 1HD2 LEU 91 1HD2 LEU 91 -6.068 -2.889 9.806 216 2HD2 LEU 91 2HD2 LEU 91 -4.432 -3.253 10.356 217 3HD2 LEU 91 3HD2 LEU 91 -4.770 -1.723 9.546 218 H GLU 92 HN GLU 92 -1.215 -4.305 6.666 219 HA GLU 92 HA GLU 92 1.068 -5.759 7.723 220 1HB GLU 92 2HB GLU 92 -1.167 -7.060 6.478 221 2HB GLU 92 3HB GLU 92 0.251 -7.222 5.448 222 1HG GLU 92 2HG GLU 92 0.982 -8.852 6.742 223 2HG GLU 92 3HG GLU 92 1.113 -7.699 8.073 224 H GLN 93 HN GLN 93 2.818 -5.916 6.165 225 HA GLN 93 HA GLN 93 2.493 -4.227 3.814 226 1HB GLN 93 2HB GLN 93 4.901 -3.367 4.610 227 2HB GLN 93 3HB GLN 93 3.405 -2.548 5.020 228 1HG GLN 93 2HG GLN 93 3.339 -3.816 7.111 229 2HG GLN 93 3HG GLN 93 4.885 -4.514 6.684 230 1HE2 GLN 93 1HE2 GLN 93 6.650 -3.523 7.388 231 2HE2 GLN 93 2HE2 GLN 93 6.731 -1.895 7.959 232 H SER 94 HN SER 94 2.739 -7.039 3.976 233 HA SER 94 HA SER 94 5.467 -7.668 3.244 234 1HB SER 94 2HB SER 94 4.838 -9.643 4.072 235 2HB SER 94 3HB SER 94 3.150 -9.147 4.123 236 HG SER 94 HG SER 94 2.925 -9.837 1.993 237 H GLY 95 HN GLY 95 6.237 -7.819 1.235 238 1HA GLY 95 1HA GLY 95 6.270 -7.943 -1.080 239 2HA GLY 95 2HA GLY 95 4.564 -8.340 -1.033 240 H GLU 96 HN GLU 96 5.544 -6.815 -2.994 241 HA GLU 96 HA GLU 96 5.686 -4.094 -2.783 242 1HB GLU 96 2HB GLU 96 6.049 -4.682 -4.926 243 2HB GLU 96 3HB GLU 96 4.911 -6.022 -4.844 244 1HG GLU 96 2HG GLU 96 3.086 -4.590 -5.146 245 2HG GLU 96 3HG GLU 96 4.102 -3.157 -5.033 246 H TRP 97 HN TRP 97 2.915 -6.059 -2.178 247 HA TRP 97 HA TRP 97 1.204 -3.669 -2.200 248 1HB TRP 97 2HB TRP 97 0.606 -6.590 -2.554 249 2HB TRP 97 3HB TRP 97 -0.657 -5.454 -2.093 250 HD1 TRP 97 1HD TRP 97 1.645 -6.340 -5.024 251 HE1 TRP 97 1HE TRP 97 0.751 -5.194 -7.148 252 HE3 TRP 97 3HE TRP 97 -2.051 -3.509 -2.923 253 HZ2 TRP 97 2HZ TRP 97 -1.253 -3.329 -7.838 254 HZ3 TRP 97 3HZ TRP 97 -3.407 -2.069 -4.375 255 HH2 TRP 97 2HH TRP 97 -3.013 -1.976 -6.784 256 H TRP 98 HN TRP 98 0.862 -2.783 -0.276 257 HA TRP 98 HA TRP 98 1.144 -4.424 2.128 258 1HB TRP 98 2HB TRP 98 1.151 -1.441 1.714 259 2HB TRP 98 3HB TRP 98 1.147 -2.198 3.297 260 HD1 TRP 98 1HD TRP 98 3.223 -4.345 1.250 261 HE1 TRP 98 1HE TRP 98 5.724 -3.811 1.565 262 HE3 TRP 98 3HE TRP 98 2.768 0.163 3.550 263 HZ2 TRP 98 2HZ TRP 98 7.297 -1.713 2.649 264 HZ3 TRP 98 3HZ TRP 98 4.803 1.391 4.195 265 HH2 TRP 98 2HH TRP 98 7.024 0.466 3.755 266 H LYS 99 HN LYS 99 -0.427 -4.679 3.619 267 HA LYS 99 HA LYS 99 -3.142 -4.056 2.807 268 1HB LYS 99 2HB LYS 99 -2.711 -6.292 3.658 269 2HB LYS 99 3HB LYS 99 -2.018 -5.630 5.129 270 1HG LYS 99 2HG LYS 99 -4.411 -6.554 5.200 271 2HG LYS 99 3HG LYS 99 -4.074 -5.008 5.982 272 1HD LYS 99 2HD LYS 99 -5.083 -3.791 4.307 273 2HD LYS 99 3HD LYS 99 -5.011 -5.121 3.148 274 1HE LYS 99 2HE LYS 99 -6.512 -5.960 5.425 275 2HE LYS 99 3HE LYS 99 -7.134 -4.405 4.880 276 1HZ LYS 99 1HZ LYS 99 -6.794 -5.821 2.578 277 2HZ LYS 99 2HZ LYS 99 -8.262 -5.576 3.382 278 3HZ LYS 99 3HZ LYS 99 -7.369 -6.984 3.665 279 H ALA 100 HN ALA 100 -4.031 -2.165 3.400 280 HA ALA 100 HA ALA 100 -3.201 -1.017 5.986 281 1HB ALA 100 1HB ALA 100 -4.189 0.814 3.876 282 2HB ALA 100 2HB ALA 100 -2.969 1.069 5.128 283 3HB ALA 100 3HB ALA 100 -2.566 0.143 3.679 284 H GLN 101 HN GLN 101 -4.734 -0.079 7.266 285 HA GLN 101 HA GLN 101 -7.513 -0.558 6.436 286 1HB GLN 101 2HB GLN 101 -7.020 -1.827 8.410 287 2HB GLN 101 3HB GLN 101 -6.276 -0.448 9.195 288 1HG GLN 101 2HG GLN 101 -8.554 0.627 8.989 289 2HG GLN 101 3HG GLN 101 -9.172 -0.968 8.633 290 1HE2 GLN 101 1HE2 GLN 101 -7.670 1.067 11.034 291 2HE2 GLN 101 2HE2 GLN 101 -8.038 0.074 12.399 292 H SER 102 HN SER 102 -8.391 1.249 5.723 293 HA SER 102 HA SER 102 -7.412 3.802 5.984 294 1HB SER 102 2HB SER 102 -9.811 2.527 5.031 295 2HB SER 102 3HB SER 102 -10.189 4.034 5.827 296 HG SER 102 HG SER 102 -9.609 4.902 4.007 297 H LEU 103 HN LEU 103 -8.519 5.645 7.148 298 HA LEU 103 HA LEU 103 -9.284 4.755 9.853 299 1HB LEU 103 2HB LEU 103 -7.379 6.906 9.028 300 2HB LEU 103 3HB LEU 103 -8.123 6.886 10.613 301 HG LEU 103 HG LEU 103 -7.213 4.333 10.456 302 1HD1 LEU 103 1HD1 LEU 103 -4.844 4.580 9.622 303 2HD1 LEU 103 2HD1 LEU 103 -6.117 4.505 8.402 304 3HD1 LEU 103 3HD1 LEU 103 -5.390 6.056 8.825 305 1HD2 LEU 103 1HD2 LEU 103 -5.686 4.888 12.089 306 2HD2 LEU 103 2HD2 LEU 103 -5.323 6.459 11.367 307 3HD2 LEU 103 3HD2 LEU 103 -6.855 6.209 12.206 308 H THR 104 HN THR 104 -9.929 6.879 7.229 309 HA THR 104 HA THR 104 -11.761 8.533 8.737 310 HB THR 104 HB THR 104 -11.632 8.396 5.741 311 HG1 THR 104 1HG THR 104 -9.865 9.814 5.816 312 1HG2 THR 104 1HG2 THR 104 -12.183 10.520 7.758 313 2HG2 THR 104 2HG2 THR 104 -13.222 9.922 6.461 314 3HG2 THR 104 3HG2 THR 104 -11.799 10.894 6.078 315 H THR 105 HN THR 105 -11.774 5.967 6.394 316 HA THR 105 HA THR 105 -14.672 5.550 6.674 317 HB THR 105 HB THR 105 -14.660 4.763 4.539 318 HG1 THR 105 1HG THR 105 -11.934 4.065 4.754 319 1HG2 THR 105 1HG2 THR 105 -13.816 7.007 4.286 320 2HG2 THR 105 2HG2 THR 105 -13.106 5.945 3.070 321 3HG2 THR 105 3HG2 THR 105 -12.165 6.417 4.486 322 H GLY 106 HN GLY 106 -11.541 4.165 6.834 323 1HA GLY 106 1HA GLY 106 -10.674 2.490 8.065 324 2HA GLY 106 2HA GLY 106 -12.270 2.101 8.646 325 H GLN 107 HN GLN 107 -12.533 2.240 5.369 326 HA GLN 107 HA GLN 107 -13.010 -0.400 4.941 327 1HB GLN 107 2HB GLN 107 -12.296 1.893 3.238 328 2HB GLN 107 3HB GLN 107 -12.294 0.299 2.504 329 1HG GLN 107 2HG GLN 107 -14.467 0.626 2.197 330 2HG GLN 107 3HG GLN 107 -14.604 0.293 3.922 331 1HE2 GLN 107 1HE2 GLN 107 -15.875 1.677 4.897 332 2HE2 GLN 107 2HE2 GLN 107 -16.022 3.361 4.543 333 H GLU 108 HN GLU 108 -11.825 -2.143 4.913 334 HA GLU 108 HA GLU 108 -8.922 -1.893 4.921 335 1HB GLU 108 2HB GLU 108 -10.753 -4.211 5.505 336 2HB GLU 108 3HB GLU 108 -9.009 -4.340 5.498 337 1HG GLU 108 2HG GLU 108 -8.884 -3.566 7.553 338 2HG GLU 108 3HG GLU 108 -9.810 -2.131 7.127 339 H GLY 109 HN GLY 109 -7.540 -3.040 3.569 340 1HA GLY 109 1HA GLY 109 -8.150 -4.826 1.571 341 2HA GLY 109 2HA GLY 109 -8.423 -3.245 0.858 342 H PHE 110 HN PHE 110 -6.601 -4.586 -0.410 343 HA PHE 110 HA PHE 110 -3.962 -4.190 0.693 344 1HB PHE 110 2HB PHE 110 -5.162 -5.606 -1.598 345 2HB PHE 110 3HB PHE 110 -3.570 -4.932 -1.895 346 HD1 PHE 110 1HD PHE 110 -4.983 -6.402 1.210 347 HD2 PHE 110 2HD PHE 110 -2.132 -6.752 -1.931 348 HE1 PHE 110 1HE PHE 110 -3.965 -8.329 2.352 349 HE2 PHE 110 2HE PHE 110 -1.109 -8.680 -0.794 350 HZ PHE 110 HZ PHE 110 -2.026 -9.471 1.350 351 H ILE 111 HN ILE 111 -2.443 -2.710 -0.042 352 HA ILE 111 HA ILE 111 -3.329 -0.781 -2.071 353 HB ILE 111 HB ILE 111 -2.581 1.108 -0.726 354 1HG1 ILE 111 2HG1 ILE 111 -2.369 -0.594 1.717 355 2HG1 ILE 111 3HG1 ILE 111 -1.014 -0.558 0.601 356 1HG2 ILE 111 1HG2 ILE 111 -4.935 0.085 -0.573 357 2HG2 ILE 111 2HG2 ILE 111 -4.441 -0.430 1.040 358 3HG2 ILE 111 3HG2 ILE 111 -4.452 1.284 0.625 359 1HD1 ILE 111 1HD1 ILE 111 -1.347 2.043 0.828 360 2HD1 ILE 111 2HD1 ILE 111 -2.061 1.563 2.368 361 3HD1 ILE 111 3HD1 ILE 111 -0.398 1.112 1.989 362 HA PRO 112 HA PRO 112 0.657 -1.185 -3.870 363 1HB PRO 112 2HB PRO 112 0.922 1.551 -4.515 364 2HB PRO 112 3HB PRO 112 0.274 0.282 -5.555 365 1HG PRO 112 2HG PRO 112 -1.161 2.284 -3.924 366 2HG PRO 112 3HG PRO 112 -1.652 1.486 -5.412 367 1HD PRO 112 2HD PRO 112 -2.685 0.858 -3.000 368 2HD PRO 112 3HD PRO 112 -2.515 -0.318 -4.311 369 H PHE 113 HN PHE 113 2.288 -1.523 -2.447 370 HA PHE 113 HA PHE 113 2.821 -0.167 -0.126 371 1HB PHE 113 2HB PHE 113 4.849 -1.323 -0.003 372 2HB PHE 113 3HB PHE 113 3.836 -2.356 -1.004 373 HD1 PHE 113 1HD PHE 113 7.010 -1.801 -0.678 374 HD2 PHE 113 2HD PHE 113 4.043 -0.986 -3.616 375 HE1 PHE 113 1HE PHE 113 8.747 -1.775 -2.420 376 HE2 PHE 113 2HE PHE 113 5.774 -0.957 -5.363 377 HZ PHE 113 HZ PHE 113 8.130 -1.353 -4.766 378 H ASN 114 HN ASN 114 3.587 0.859 -3.349 379 HA ASN 114 HA ASN 114 5.343 2.969 -2.326 380 1HB ASN 114 2HB ASN 114 5.725 3.397 -4.808 381 2HB ASN 114 3HB ASN 114 6.331 1.870 -4.178 382 1HD2 ASN 114 1HD2 ASN 114 5.074 3.073 -6.805 383 2HD2 ASN 114 2HD2 ASN 114 4.076 1.771 -7.348 384 H PHE 115 HN PHE 115 2.467 2.996 -1.871 385 HA PHE 115 HA PHE 115 1.776 5.440 -3.371 386 1HB PHE 115 2HB PHE 115 0.393 2.990 -3.260 387 2HB PHE 115 3HB PHE 115 -0.540 4.121 -2.297 388 HD1 PHE 115 1HD PHE 115 1.414 4.461 -5.461 389 HD2 PHE 115 2HD PHE 115 -2.317 4.887 -3.474 390 HE1 PHE 115 1HE PHE 115 0.435 5.411 -7.508 391 HE2 PHE 115 2HE PHE 115 -3.303 5.833 -5.501 392 HZ PHE 115 HZ PHE 115 -1.931 6.102 -7.534 393 H VAL 116 HN VAL 116 2.990 4.823 -0.543 394 HA VAL 116 HA VAL 116 1.409 6.869 0.765 395 HB VAL 116 HB VAL 116 1.118 5.515 2.837 396 1HG1 VAL 116 1HG1 VAL 116 -0.331 4.203 0.573 397 2HG1 VAL 116 2HG1 VAL 116 -0.931 4.647 2.171 398 3HG1 VAL 116 3HG1 VAL 116 -0.608 5.899 0.971 399 1HG2 VAL 116 1HG2 VAL 116 2.400 3.489 1.122 400 2HG2 VAL 116 2HG2 VAL 116 2.403 3.654 2.879 401 3HG2 VAL 116 3HG2 VAL 116 1.016 2.931 2.064 402 H ALA 117 HN ALA 117 2.355 7.841 2.529 403 HA ALA 117 HA ALA 117 5.066 7.038 3.279 404 1HB ALA 117 1HB ALA 117 5.247 8.741 1.476 405 2HB ALA 117 2HB ALA 117 4.353 9.866 2.499 406 3HB ALA 117 3HB ALA 117 5.933 9.274 3.011 407 H LYS 118 HN LYS 118 5.549 7.472 5.413 408 HA LYS 118 HA LYS 118 3.684 7.500 7.345 409 1HB LYS 118 2HB LYS 118 6.362 8.893 7.454 410 2HB LYS 118 3HB LYS 118 5.380 8.519 8.862 411 1HG LYS 118 2HG LYS 118 6.740 6.605 6.992 412 2HG LYS 118 3HG LYS 118 7.017 6.831 8.721 413 1HD LYS 118 2HD LYS 118 4.749 6.005 9.174 414 2HD LYS 118 3HD LYS 118 4.509 5.746 7.446 415 1HE LYS 118 2HE LYS 118 5.094 3.657 8.533 416 2HE LYS 118 3HE LYS 118 6.382 4.156 7.437 417 1HZ LYS 118 1HZ LYS 118 7.812 4.493 9.128 418 2HZ LYS 118 2HZ LYS 118 6.823 3.379 9.927 419 3HZ LYS 118 3HZ LYS 118 6.621 5.036 10.200 420 H ALA 119 HN ALA 119 2.412 8.890 8.461 421 HA ALA 119 HA ALA 119 1.704 11.362 7.239 422 1HB ALA 119 1HB ALA 119 0.415 11.601 9.532 423 2HB ALA 119 2HB ALA 119 -0.125 10.467 8.296 424 3HB ALA 119 3HB ALA 119 0.816 9.891 9.678 425 H ASN 120 HN ASN 120 4.278 11.779 7.572 426 HA ASN 120 HA ASN 120 4.374 14.009 9.385 427 1HB ASN 120 2HB ASN 120 5.118 11.644 10.509 428 2HB ASN 120 3HB ASN 120 6.661 12.207 9.873 429 1HD2 ASN 120 1HD2 ASN 120 5.394 11.964 12.630 430 2HD2 ASN 120 2HD2 ASN 120 5.711 13.496 13.362 Start of MODEL 4 1 H ASN 64 HN ASN 64 1.195 2.891 12.854 2 HA ASN 64 HA ASN 64 3.410 2.225 11.199 3 1HB ASN 64 2HB ASN 64 1.358 0.114 11.759 4 2HB ASN 64 3HB ASN 64 2.035 0.238 10.142 5 1HD2 ASN 64 1HD2 ASN 64 2.319 -1.977 11.844 6 2HD2 ASN 64 2HD2 ASN 64 3.997 -2.156 12.210 7 H LEU 65 HN LEU 65 1.240 4.211 11.610 8 HA LEU 65 HA LEU 65 -0.471 3.883 9.332 9 1HB LEU 65 2HB LEU 65 -1.485 4.953 11.131 10 2HB LEU 65 3HB LEU 65 -0.158 6.063 11.362 11 HG LEU 65 HG LEU 65 -0.747 7.153 9.258 12 1HD1 LEU 65 1HD1 LEU 65 -1.966 6.080 7.761 13 2HD1 LEU 65 2HD1 LEU 65 -2.323 4.808 8.932 14 3HD1 LEU 65 3HD1 LEU 65 -3.361 6.230 8.831 15 1HD2 LEU 65 1HD2 LEU 65 -2.888 8.160 10.019 16 2HD2 LEU 65 2HD2 LEU 65 -2.974 6.920 11.270 17 3HD2 LEU 65 3HD2 LEU 65 -1.654 8.089 11.278 18 H VAL 66 HN VAL 66 -0.482 4.938 7.509 19 HA VAL 66 HA VAL 66 1.860 6.588 6.817 20 HB VAL 66 HB VAL 66 1.450 5.654 4.489 21 1HG1 VAL 66 1HG1 VAL 66 2.572 3.956 6.695 22 2HG1 VAL 66 2HG1 VAL 66 2.812 3.623 4.979 23 3HG1 VAL 66 3HG1 VAL 66 3.441 5.112 5.684 24 1HG2 VAL 66 1HG2 VAL 66 -0.675 4.600 4.820 25 2HG2 VAL 66 2HG2 VAL 66 0.518 3.354 4.452 26 3HG2 VAL 66 3HG2 VAL 66 -0.018 3.598 6.114 27 H ILE 67 HN ILE 67 1.336 7.522 4.465 28 HA ILE 67 HA ILE 67 -1.384 8.472 4.274 29 HB ILE 67 HB ILE 67 0.721 10.141 5.361 30 1HG1 ILE 67 2HG1 ILE 67 -2.240 10.335 4.916 31 2HG1 ILE 67 3HG1 ILE 67 -1.402 9.943 6.387 32 1HG2 ILE 67 1HG2 ILE 67 0.202 12.167 4.041 33 2HG2 ILE 67 2HG2 ILE 67 1.050 10.942 3.098 34 3HG2 ILE 67 3HG2 ILE 67 -0.688 11.165 2.896 35 1HD1 ILE 67 1HD1 ILE 67 -1.443 12.063 6.999 36 2HD1 ILE 67 2HD1 ILE 67 -0.581 12.526 5.532 37 3HD1 ILE 67 3HD1 ILE 67 -2.344 12.440 5.529 38 H ALA 68 HN ALA 68 -2.020 8.580 2.267 39 HA ALA 68 HA ALA 68 -0.341 7.772 0.147 40 1HB ALA 68 1HB ALA 68 -3.108 8.132 0.556 41 2HB ALA 68 2HB ALA 68 -2.668 9.054 -0.882 42 3HB ALA 68 3HB ALA 68 -2.295 7.333 -0.789 43 H LEU 69 HN LEU 69 0.343 8.881 -1.698 44 HA LEU 69 HA LEU 69 0.689 11.772 -1.290 45 1HB LEU 69 2HB LEU 69 2.405 9.747 -2.713 46 2HB LEU 69 3HB LEU 69 2.646 11.478 -2.874 47 HG LEU 69 HG LEU 69 2.860 9.877 -0.319 48 1HD1 LEU 69 1HD1 LEU 69 5.255 10.859 -0.511 49 2HD1 LEU 69 2HD1 LEU 69 4.829 9.435 -1.461 50 3HD1 LEU 69 3HD1 LEU 69 4.869 11.028 -2.222 51 1HD2 LEU 69 1HD2 LEU 69 3.168 12.829 -0.842 52 2HD2 LEU 69 2HD2 LEU 69 1.979 12.046 0.197 53 3HD2 LEU 69 3HD2 LEU 69 3.686 12.020 0.637 54 H HIS 70 HN HIS 70 -1.028 9.571 -3.096 55 HA HIS 70 HA HIS 70 -1.811 11.607 -4.988 56 1HB HIS 70 2HB HIS 70 -1.588 9.809 -6.881 57 2HB HIS 70 3HB HIS 70 -0.208 10.800 -6.442 58 HD1 HIS 70 1HD HIS 70 -0.725 7.566 -7.435 59 HD2 HIS 70 2HD HIS 70 1.153 9.163 -4.101 60 HE1 HIS 70 1HE HIS 70 0.853 5.782 -6.638 61 HE2 HIS 70 2HE HIS 70 2.119 6.855 -4.744 62 H SER 71 HN SER 71 -3.583 10.651 -6.491 63 HA SER 71 HA SER 71 -5.548 9.458 -4.757 64 1HB SER 71 2HB SER 71 -6.126 9.759 -7.653 65 2HB SER 71 3HB SER 71 -7.105 10.199 -6.256 66 HG SER 71 HG SER 71 -5.054 11.635 -7.523 67 H TYR 72 HN TYR 72 -5.955 7.365 -4.557 68 HA TYR 72 HA TYR 72 -4.778 5.537 -6.531 69 1HB TYR 72 2HB TYR 72 -4.157 5.192 -4.161 70 2HB TYR 72 3HB TYR 72 -5.845 4.898 -3.780 71 HD1 TYR 72 1HD TYR 72 -3.718 3.703 -6.610 72 HD2 TYR 72 2HD TYR 72 -6.061 2.666 -3.221 73 HE1 TYR 72 1HE TYR 72 -3.440 1.323 -7.155 74 HE2 TYR 72 2HE TYR 72 -5.788 0.283 -3.751 75 HH TYR 72 HH TYR 72 -5.220 -0.982 -6.270 76 H GLU 73 HN GLU 73 -5.900 3.898 -7.501 77 HA GLU 73 HA GLU 73 -8.791 3.793 -7.135 78 1HB GLU 73 2HB GLU 73 -7.427 4.834 -9.382 79 2HB GLU 73 3HB GLU 73 -8.228 3.355 -9.868 80 1HG GLU 73 2HG GLU 73 -10.345 4.195 -9.214 81 2HG GLU 73 3HG GLU 73 -9.605 5.568 -8.391 82 HA PRO 74 HA PRO 74 -7.188 -0.415 -6.321 83 1HB PRO 74 2HB PRO 74 -9.988 -1.119 -6.314 84 2HB PRO 74 3HB PRO 74 -8.865 -1.044 -4.957 85 1HG PRO 74 2HG PRO 74 -10.820 0.953 -5.876 86 2HG PRO 74 3HG PRO 74 -10.068 0.760 -4.283 87 1HD PRO 74 2HD PRO 74 -9.415 2.797 -5.940 88 2HD PRO 74 3HD PRO 74 -8.219 2.027 -4.870 89 H SER 75 HN SER 75 -6.623 -1.859 -7.786 90 HA SER 75 HA SER 75 -8.329 -2.238 -10.155 91 1HB SER 75 2HB SER 75 -6.124 -0.948 -10.516 92 2HB SER 75 3HB SER 75 -5.329 -2.499 -10.251 93 HG SER 75 HG SER 75 -5.721 -2.176 -12.456 94 H HIS 76 HN HIS 76 -5.936 -3.666 -7.975 95 HA HIS 76 HA HIS 76 -6.325 -6.321 -9.018 96 1HB HIS 76 2HB HIS 76 -4.627 -5.059 -6.940 97 2HB HIS 76 3HB HIS 76 -5.036 -6.753 -6.686 98 HD1 HIS 76 1HD HIS 76 -3.779 -8.453 -8.045 99 HD2 HIS 76 2HD HIS 76 -3.164 -4.565 -9.375 100 HE1 HIS 76 1HE HIS 76 -1.940 -8.610 -9.754 101 HE2 HIS 76 2HE HIS 76 -1.522 -6.233 -10.476 102 H ASP 77 HN ASP 77 -6.731 -8.096 -7.253 103 HA ASP 77 HA ASP 77 -9.401 -7.641 -6.290 104 1HB ASP 77 2HB ASP 77 -7.675 -10.070 -5.797 105 2HB ASP 77 3HB ASP 77 -9.433 -9.975 -5.755 106 H GLY 78 HN GLY 78 -10.128 -7.628 -4.172 107 1HA GLY 78 1HA GLY 78 -10.051 -7.138 -1.930 108 2HA GLY 78 2HA GLY 78 -8.612 -8.142 -1.885 109 H ASP 79 HN ASP 79 -9.009 -5.139 -3.704 110 HA ASP 79 HA ASP 79 -6.741 -4.041 -2.218 111 1HB ASP 79 2HB ASP 79 -8.001 -3.257 -4.847 112 2HB ASP 79 3HB ASP 79 -6.715 -2.335 -4.072 113 H LEU 80 HN LEU 80 -6.754 -1.835 -1.535 114 HA LEU 80 HA LEU 80 -9.447 -0.854 -0.860 115 1HB LEU 80 2HB LEU 80 -8.535 -1.364 1.203 116 2HB LEU 80 3HB LEU 80 -6.905 -0.971 0.706 117 HG LEU 80 HG LEU 80 -7.710 1.470 0.680 118 1HD1 LEU 80 1HD1 LEU 80 -10.029 0.077 1.895 119 2HD1 LEU 80 2HD1 LEU 80 -9.538 1.622 2.593 120 3HD1 LEU 80 3HD1 LEU 80 -9.976 1.523 0.886 121 1HD2 LEU 80 1HD2 LEU 80 -7.290 1.697 3.082 122 2HD2 LEU 80 2HD2 LEU 80 -7.496 -0.042 3.274 123 3HD2 LEU 80 3HD2 LEU 80 -6.153 0.584 2.320 124 H GLY 81 HN GLY 81 -9.992 1.054 -1.704 125 1HA GLY 81 1HA GLY 81 -7.942 2.592 -3.093 126 2HA GLY 81 2HA GLY 81 -9.670 2.816 -3.244 127 H PHE 82 HN PHE 82 -7.353 4.645 -2.635 128 HA PHE 82 HA PHE 82 -8.670 6.012 -0.416 129 1HB PHE 82 2HB PHE 82 -6.259 6.636 0.361 130 2HB PHE 82 3HB PHE 82 -6.964 5.102 0.847 131 HD1 PHE 82 1HD PHE 82 -6.427 3.077 -0.741 132 HD2 PHE 82 2HD PHE 82 -4.149 6.662 -0.545 133 HE1 PHE 82 1HE PHE 82 -4.490 1.898 -1.694 134 HE2 PHE 82 2HE PHE 82 -2.203 5.482 -1.493 135 HZ PHE 82 HZ PHE 82 -2.377 3.097 -2.066 136 H GLU 83 HN GLU 83 -7.546 8.248 -0.124 137 HA GLU 83 HA GLU 83 -7.335 9.402 -2.821 138 1HB GLU 83 2HB GLU 83 -8.708 10.178 -0.380 139 2HB GLU 83 3HB GLU 83 -7.707 11.478 -1.004 140 1HG GLU 83 2HG GLU 83 -8.991 10.513 -3.244 141 2HG GLU 83 3HG GLU 83 -10.218 10.425 -1.983 142 H LYS 84 HN LYS 84 -6.041 11.546 -2.789 143 HA LYS 84 HA LYS 84 -3.371 10.902 -1.993 144 1HB LYS 84 2HB LYS 84 -3.449 12.120 -3.970 145 2HB LYS 84 3HB LYS 84 -4.685 13.209 -3.371 146 1HG LYS 84 2HG LYS 84 -2.784 13.972 -1.733 147 2HG LYS 84 3HG LYS 84 -1.734 13.265 -2.959 148 1HD LYS 84 2HD LYS 84 -3.890 15.215 -3.685 149 2HD LYS 84 3HD LYS 84 -2.307 15.766 -3.136 150 1HE LYS 84 2HE LYS 84 -1.878 13.765 -5.092 151 2HE LYS 84 3HE LYS 84 -3.095 14.870 -5.729 152 1HZ LYS 84 1HZ LYS 84 -0.573 15.848 -4.533 153 2HZ LYS 84 2HZ LYS 84 -1.646 16.678 -5.542 154 3HZ LYS 84 3HZ LYS 84 -0.684 15.437 -6.170 155 H GLY 85 HN GLY 85 -2.378 11.385 -0.148 156 1HA GLY 85 1HA GLY 85 -1.868 12.567 1.809 157 2HA GLY 85 2HA GLY 85 -3.250 13.619 1.503 158 H GLU 86 HN GLU 86 -4.652 10.816 1.033 159 HA GLU 86 HA GLU 86 -6.061 10.709 3.427 160 1HB GLU 86 2HB GLU 86 -6.306 9.529 0.993 161 2HB GLU 86 3HB GLU 86 -5.717 8.175 1.938 162 1HG GLU 86 2HG GLU 86 -8.335 9.066 1.670 163 2HG GLU 86 3HG GLU 86 -7.731 7.800 2.715 164 H GLN 87 HN GLN 87 -6.104 8.798 4.910 165 HA GLN 87 HA GLN 87 -3.371 7.837 5.412 166 1HB GLN 87 2HB GLN 87 -5.334 8.397 7.614 167 2HB GLN 87 3HB GLN 87 -3.606 8.121 7.739 168 1HG GLN 87 2HG GLN 87 -3.084 10.244 7.279 169 2HG GLN 87 3HG GLN 87 -4.368 10.412 6.088 170 1HE2 GLN 87 1HE2 GLN 87 -3.474 10.761 9.406 171 2HE2 GLN 87 2HE2 GLN 87 -4.899 11.589 9.925 172 H LEU 88 HN LEU 88 -3.120 5.829 6.210 173 HA LEU 88 HA LEU 88 -5.436 4.098 6.589 174 1HB LEU 88 2HB LEU 88 -3.292 2.998 4.866 175 2HB LEU 88 3HB LEU 88 -4.997 2.607 4.917 176 HG LEU 88 HG LEU 88 -4.450 5.302 3.909 177 1HD1 LEU 88 1HD1 LEU 88 -2.555 3.587 3.132 178 2HD1 LEU 88 2HD1 LEU 88 -3.804 3.197 1.947 179 3HD1 LEU 88 3HD1 LEU 88 -3.204 4.851 2.083 180 1HD2 LEU 88 1HD2 LEU 88 -6.158 4.751 2.394 181 2HD2 LEU 88 2HD2 LEU 88 -5.901 3.016 2.617 182 3HD2 LEU 88 3HD2 LEU 88 -6.619 3.980 3.913 183 H ARG 89 HN ARG 89 -5.103 2.769 8.217 184 HA ARG 89 HA ARG 89 -2.528 2.707 9.480 185 1HB ARG 89 2HB ARG 89 -4.371 2.840 10.958 186 2HB ARG 89 3HB ARG 89 -5.223 1.536 10.142 187 1HG ARG 89 2HG ARG 89 -3.641 -0.061 10.944 188 2HG ARG 89 3HG ARG 89 -2.654 1.216 11.638 189 1HD ARG 89 2HD ARG 89 -4.782 1.834 12.944 190 2HD ARG 89 3HD ARG 89 -5.323 0.215 12.534 191 HE ARG 89 HE ARG 89 -2.698 0.377 13.737 192 1HH1 ARG 89 2HH1 ARG 89 -6.121 -0.040 14.285 193 2HH1 ARG 89 1HH1 ARG 89 -5.907 -0.827 15.812 194 1HH2 ARG 89 2HH2 ARG 89 -2.417 -0.658 15.747 195 2HH2 ARG 89 1HH2 ARG 89 -3.806 -1.177 16.643 196 H ILE 90 HN ILE 90 -1.084 1.535 8.445 197 HA ILE 90 HA ILE 90 -1.557 -0.645 6.787 198 HB ILE 90 HB ILE 90 1.014 -0.096 8.273 199 1HG1 ILE 90 2HG1 ILE 90 0.155 1.894 7.085 200 2HG1 ILE 90 3HG1 ILE 90 1.652 1.303 6.397 201 1HG2 ILE 90 1HG2 ILE 90 0.379 -2.223 6.687 202 2HG2 ILE 90 2HG2 ILE 90 1.104 -1.102 5.534 203 3HG2 ILE 90 3HG2 ILE 90 2.010 -1.610 6.960 204 1HD1 ILE 90 1HD1 ILE 90 0.679 1.249 4.416 205 2HD1 ILE 90 2HD1 ILE 90 -0.456 0.041 5.017 206 3HD1 ILE 90 3HD1 ILE 90 -0.851 1.755 5.130 207 H LEU 91 HN LEU 91 -2.394 -2.473 7.285 208 HA LEU 91 HA LEU 91 -2.213 -3.656 9.906 209 1HB LEU 91 2HB LEU 91 -3.276 -4.891 7.369 210 2HB LEU 91 3HB LEU 91 -3.691 -5.316 9.021 211 HG LEU 91 HG LEU 91 -4.387 -2.734 7.621 212 1HD1 LEU 91 1HD1 LEU 91 -5.880 -4.165 6.694 213 2HD1 LEU 91 2HD1 LEU 91 -5.891 -5.246 8.088 214 3HD1 LEU 91 3HD1 LEU 91 -6.756 -3.709 8.156 215 1HD2 LEU 91 1HD2 LEU 91 -4.436 -1.943 9.720 216 2HD2 LEU 91 2HD2 LEU 91 -5.957 -2.830 9.830 217 3HD2 LEU 91 3HD2 LEU 91 -4.467 -3.554 10.436 218 H GLU 92 HN GLU 92 -1.131 -4.353 6.634 219 HA GLU 92 HA GLU 92 1.176 -5.767 7.692 220 1HB GLU 92 2HB GLU 92 -1.032 -7.116 6.505 221 2HB GLU 92 3HB GLU 92 0.334 -7.214 5.399 222 1HG GLU 92 2HG GLU 92 1.178 -8.843 6.622 223 2HG GLU 92 3HG GLU 92 1.358 -7.698 7.954 224 H GLN 93 HN GLN 93 2.991 -5.402 6.541 225 HA GLN 93 HA GLN 93 2.683 -3.939 4.025 226 1HB GLN 93 2HB GLN 93 4.943 -2.885 4.817 227 2HB GLN 93 3HB GLN 93 3.409 -2.244 5.378 228 1HG GLN 93 2HG GLN 93 3.637 -3.745 7.353 229 2HG GLN 93 3HG GLN 93 5.257 -4.078 6.788 230 1HE2 GLN 93 1HE2 GLN 93 6.398 -3.165 8.428 231 2HE2 GLN 93 2HE2 GLN 93 6.369 -1.477 8.797 232 H SER 94 HN SER 94 3.015 -6.729 4.268 233 HA SER 94 HA SER 94 5.791 -7.199 3.487 234 1HB SER 94 2HB SER 94 4.339 -9.604 3.316 235 2HB SER 94 3HB SER 94 5.461 -9.128 4.587 236 HG SER 94 HG SER 94 3.825 -8.924 5.876 237 H GLY 95 HN GLY 95 6.344 -7.221 1.415 238 1HA GLY 95 1HA GLY 95 6.151 -7.867 -0.850 239 2HA GLY 95 2HA GLY 95 4.446 -8.181 -0.584 240 H GLU 96 HN GLU 96 5.449 -6.856 -2.783 241 HA GLU 96 HA GLU 96 5.576 -4.119 -2.782 242 1HB GLU 96 2HB GLU 96 5.951 -4.882 -4.872 243 2HB GLU 96 3HB GLU 96 4.799 -6.200 -4.699 244 1HG GLU 96 2HG GLU 96 2.988 -4.764 -5.108 245 2HG GLU 96 3HG GLU 96 4.031 -3.344 -5.109 246 H TRP 97 HN TRP 97 2.827 -6.072 -2.039 247 HA TRP 97 HA TRP 97 1.104 -3.689 -2.158 248 1HB TRP 97 2HB TRP 97 0.511 -6.617 -2.478 249 2HB TRP 97 3HB TRP 97 -0.756 -5.479 -2.036 250 HD1 TRP 97 1HD TRP 97 1.515 -6.447 -4.954 251 HE1 TRP 97 1HE TRP 97 0.637 -5.323 -7.097 252 HE3 TRP 97 3HE TRP 97 -2.099 -3.482 -2.893 253 HZ2 TRP 97 2HZ TRP 97 -1.328 -3.425 -7.816 254 HZ3 TRP 97 3HZ TRP 97 -3.431 -2.043 -4.370 255 HH2 TRP 97 2HH TRP 97 -3.049 -2.010 -6.782 256 H TRP 98 HN TRP 98 0.740 -2.784 -0.243 257 HA TRP 98 HA TRP 98 1.045 -4.389 2.181 258 1HB TRP 98 2HB TRP 98 0.977 -1.414 1.722 259 2HB TRP 98 3HB TRP 98 0.980 -2.144 3.318 260 HD1 TRP 98 1HD TRP 98 3.138 -4.259 1.301 261 HE1 TRP 98 1HE TRP 98 5.618 -3.651 1.645 262 HE3 TRP 98 3HE TRP 98 2.530 0.245 3.580 263 HZ2 TRP 98 2HZ TRP 98 7.118 -1.505 2.733 264 HZ3 TRP 98 3HZ TRP 98 4.521 1.534 4.240 265 HH2 TRP 98 2HH TRP 98 6.772 0.669 3.828 266 H LYS 99 HN LYS 99 -0.530 -4.748 3.620 267 HA LYS 99 HA LYS 99 -3.257 -4.158 2.840 268 1HB LYS 99 2HB LYS 99 -2.777 -6.381 3.718 269 2HB LYS 99 3HB LYS 99 -2.100 -5.686 5.181 270 1HG LYS 99 2HG LYS 99 -4.500 -6.653 5.219 271 2HG LYS 99 3HG LYS 99 -4.162 -5.126 6.042 272 1HD LYS 99 2HD LYS 99 -5.152 -3.864 4.373 273 2HD LYS 99 3HD LYS 99 -5.110 -5.185 3.205 274 1HE LYS 99 2HE LYS 99 -6.611 -6.004 5.496 275 2HE LYS 99 3HE LYS 99 -7.210 -4.443 4.943 276 1HZ LYS 99 1HZ LYS 99 -8.374 -5.631 3.481 277 2HZ LYS 99 2HZ LYS 99 -7.454 -7.028 3.722 278 3HZ LYS 99 3HZ LYS 99 -6.919 -5.842 2.642 279 H ALA 100 HN ALA 100 -4.066 -2.204 3.361 280 HA ALA 100 HA ALA 100 -3.248 -1.047 5.948 281 1HB ALA 100 1HB ALA 100 -4.282 0.717 3.788 282 2HB ALA 100 2HB ALA 100 -3.107 1.050 5.064 283 3HB ALA 100 3HB ALA 100 -2.632 0.099 3.654 284 H GLN 101 HN GLN 101 -4.768 -0.152 7.264 285 HA GLN 101 HA GLN 101 -7.555 -0.637 6.461 286 1HB GLN 101 2HB GLN 101 -7.032 -1.938 8.410 287 2HB GLN 101 3HB GLN 101 -6.295 -0.564 9.211 288 1HG GLN 101 2HG GLN 101 -8.574 0.498 9.047 289 2HG GLN 101 3HG GLN 101 -9.193 -1.086 8.649 290 1HE2 GLN 101 1HE2 GLN 101 -7.563 0.822 11.093 291 2HE2 GLN 101 2HE2 GLN 101 -7.973 -0.188 12.433 292 H SER 102 HN SER 102 -8.429 1.168 5.774 293 HA SER 102 HA SER 102 -7.479 3.720 6.031 294 1HB SER 102 2HB SER 102 -9.897 2.422 5.147 295 2HB SER 102 3HB SER 102 -10.257 3.937 5.933 296 HG SER 102 HG SER 102 -9.772 4.007 3.602 297 H LEU 103 HN LEU 103 -8.574 5.555 7.217 298 HA LEU 103 HA LEU 103 -9.282 4.679 9.939 299 1HB LEU 103 2HB LEU 103 -7.387 6.822 9.070 300 2HB LEU 103 3HB LEU 103 -8.096 6.804 10.671 301 HG LEU 103 HG LEU 103 -7.186 4.242 10.466 302 1HD1 LEU 103 1HD1 LEU 103 -4.815 4.536 9.638 303 2HD1 LEU 103 2HD1 LEU 103 -6.090 4.458 8.419 304 3HD1 LEU 103 3HD1 LEU 103 -5.386 6.013 8.861 305 1HD2 LEU 103 1HD2 LEU 103 -5.303 6.352 11.418 306 2HD2 LEU 103 2HD2 LEU 103 -6.840 6.101 12.247 307 3HD2 LEU 103 3HD2 LEU 103 -5.680 4.774 12.118 308 H THR 104 HN THR 104 -9.953 6.803 7.318 309 HA THR 104 HA THR 104 -11.745 8.483 8.842 310 HB THR 104 HB THR 104 -11.682 8.299 5.845 311 HG1 THR 104 1HG THR 104 -9.584 8.583 6.077 312 1HG2 THR 104 1HG2 THR 104 -13.244 9.849 6.565 313 2HG2 THR 104 2HG2 THR 104 -11.817 10.806 6.156 314 3HG2 THR 104 3HG2 THR 104 -12.186 10.448 7.844 315 H THR 105 HN THR 105 -11.821 5.870 6.556 316 HA THR 105 HA THR 105 -14.714 5.469 6.910 317 HB THR 105 HB THR 105 -14.761 4.659 4.782 318 HG1 THR 105 1HG THR 105 -12.024 3.988 4.896 319 1HG2 THR 105 1HG2 THR 105 -12.281 6.330 4.652 320 2HG2 THR 105 2HG2 THR 105 -13.941 6.903 4.480 321 3HG2 THR 105 3HG2 THR 105 -13.246 5.833 3.261 322 H GLY 106 HN GLY 106 -11.577 4.084 6.988 323 1HA GLY 106 1HA GLY 106 -10.671 2.423 8.204 324 2HA GLY 106 2HA GLY 106 -12.243 2.041 8.847 325 H GLN 107 HN GLN 107 -12.559 2.151 5.555 326 HA GLN 107 HA GLN 107 -13.066 -0.503 5.195 327 1HB GLN 107 2HB GLN 107 -12.407 1.754 3.424 328 2HB GLN 107 3HB GLN 107 -12.444 0.145 2.727 329 1HG GLN 107 2HG GLN 107 -14.624 0.478 2.499 330 2HG GLN 107 3HG GLN 107 -14.695 0.187 4.235 331 1HE2 GLN 107 1HE2 GLN 107 -13.959 2.847 1.998 332 2HE2 GLN 107 2HE2 GLN 107 -14.859 4.046 2.857 333 H GLU 108 HN GLU 108 -11.871 -2.225 5.213 334 HA GLU 108 HA GLU 108 -8.978 -1.978 5.138 335 1HB GLU 108 2HB GLU 108 -10.671 -4.423 5.619 336 2HB GLU 108 3HB GLU 108 -8.947 -4.289 5.879 337 1HG GLU 108 2HG GLU 108 -9.233 -3.452 7.890 338 2HG GLU 108 3HG GLU 108 -10.350 -2.226 7.302 339 H GLY 109 HN GLY 109 -7.618 -2.902 3.669 340 1HA GLY 109 1HA GLY 109 -8.288 -4.764 1.700 341 2HA GLY 109 2HA GLY 109 -8.533 -3.168 1.011 342 H PHE 110 HN PHE 110 -6.773 -4.433 -0.336 343 HA PHE 110 HA PHE 110 -4.109 -4.110 0.765 344 1HB PHE 110 2HB PHE 110 -5.349 -5.566 -1.482 345 2HB PHE 110 3HB PHE 110 -3.737 -4.948 -1.786 346 HD1 PHE 110 1HD PHE 110 -2.259 -6.713 -1.677 347 HD2 PHE 110 2HD PHE 110 -5.312 -6.378 1.270 348 HE1 PHE 110 1HE PHE 110 -1.305 -8.637 -0.476 349 HE2 PHE 110 2HE PHE 110 -4.361 -8.300 2.477 350 HZ PHE 110 HZ PHE 110 -2.355 -9.432 1.605 351 H ILE 111 HN ILE 111 -2.622 -2.626 0.070 352 HA ILE 111 HA ILE 111 -3.448 -0.778 -2.062 353 HB ILE 111 HB ILE 111 -2.622 1.139 -0.794 354 1HG1 ILE 111 2HG1 ILE 111 -2.525 -0.445 1.732 355 2HG1 ILE 111 3HG1 ILE 111 -1.155 -0.541 0.637 356 1HG2 ILE 111 1HG2 ILE 111 -5.020 0.281 -0.657 357 2HG2 ILE 111 2HG2 ILE 111 -4.598 -0.263 0.968 358 3HG2 ILE 111 3HG2 ILE 111 -4.492 1.449 0.553 359 1HD1 ILE 111 1HD1 ILE 111 -1.766 1.466 2.531 360 2HD1 ILE 111 2HD1 ILE 111 -0.367 1.334 1.465 361 3HD1 ILE 111 3HD1 ILE 111 -1.814 2.186 0.922 362 HA PRO 112 HA PRO 112 0.530 -1.300 -3.824 363 1HB PRO 112 2HB PRO 112 0.877 1.387 -4.568 364 2HB PRO 112 3HB PRO 112 0.145 0.118 -5.551 365 1HG PRO 112 2HG PRO 112 -1.158 2.222 -3.924 366 2HG PRO 112 3HG PRO 112 -1.710 1.443 -5.402 367 1HD PRO 112 2HD PRO 112 -2.737 0.883 -2.979 368 2HD PRO 112 3HD PRO 112 -2.634 -0.316 -4.276 369 H PHE 113 HN PHE 113 2.293 -1.551 -2.580 370 HA PHE 113 HA PHE 113 2.828 -0.182 -0.232 371 1HB PHE 113 2HB PHE 113 4.858 -1.348 -0.129 372 2HB PHE 113 3HB PHE 113 3.802 -2.399 -1.068 373 HD1 PHE 113 1HD PHE 113 3.961 -1.035 -3.719 374 HD2 PHE 113 2HD PHE 113 6.978 -1.953 -0.862 375 HE1 PHE 113 1HE PHE 113 5.639 -1.088 -5.515 376 HE2 PHE 113 2HE PHE 113 8.662 -2.010 -2.654 377 HZ PHE 113 HZ PHE 113 7.994 -1.576 -4.984 378 H ASN 114 HN ASN 114 3.434 0.844 -3.468 379 HA ASN 114 HA ASN 114 5.258 2.939 -2.513 380 1HB ASN 114 2HB ASN 114 5.596 3.311 -5.024 381 2HB ASN 114 3HB ASN 114 6.256 1.831 -4.337 382 1HD2 ASN 114 1HD2 ASN 114 6.122 1.489 -6.797 383 2HD2 ASN 114 2HD2 ASN 114 4.704 0.675 -7.355 384 H PHE 115 HN PHE 115 2.450 3.074 -1.962 385 HA PHE 115 HA PHE 115 1.689 5.394 -3.615 386 1HB PHE 115 2HB PHE 115 0.317 3.025 -3.315 387 2HB PHE 115 3HB PHE 115 -0.486 4.089 -2.173 388 HD1 PHE 115 1HD PHE 115 -0.135 3.151 -5.599 389 HD2 PHE 115 2HD PHE 115 -1.373 6.304 -3.025 390 HE1 PHE 115 1HE PHE 115 -1.460 4.118 -7.426 391 HE2 PHE 115 2HE PHE 115 -2.698 7.276 -4.848 392 HZ PHE 115 HZ PHE 115 -2.743 6.187 -7.057 393 H VAL 116 HN VAL 116 2.336 4.256 -0.430 394 HA VAL 116 HA VAL 116 1.277 6.787 0.640 395 HB VAL 116 HB VAL 116 0.902 5.567 2.792 396 1HG1 VAL 116 1HG1 VAL 116 -0.734 5.959 0.690 397 2HG1 VAL 116 2HG1 VAL 116 -0.862 4.209 0.879 398 3HG1 VAL 116 3HG1 VAL 116 -1.249 5.273 2.232 399 1HG2 VAL 116 1HG2 VAL 116 0.523 3.059 2.475 400 2HG2 VAL 116 2HG2 VAL 116 1.521 3.213 1.030 401 3HG2 VAL 116 3HG2 VAL 116 2.195 3.607 2.613 402 H ALA 117 HN ALA 117 2.306 7.722 2.386 403 HA ALA 117 HA ALA 117 4.961 6.720 3.115 404 1HB ALA 117 1HB ALA 117 4.512 9.633 2.515 405 2HB ALA 117 2HB ALA 117 6.038 8.773 2.718 406 3HB ALA 117 3HB ALA 117 5.057 8.500 1.279 407 H LYS 118 HN LYS 118 5.541 7.190 5.239 408 HA LYS 118 HA LYS 118 3.725 7.283 7.215 409 1HB LYS 118 2HB LYS 118 6.442 8.605 7.240 410 2HB LYS 118 3HB LYS 118 5.486 8.277 8.679 411 1HG LYS 118 2HG LYS 118 6.739 6.300 6.799 412 2HG LYS 118 3HG LYS 118 7.072 6.542 8.515 413 1HD LYS 118 2HD LYS 118 4.794 5.790 9.043 414 2HD LYS 118 3HD LYS 118 4.500 5.512 7.328 415 1HE LYS 118 2HE LYS 118 5.056 3.425 8.445 416 2HE LYS 118 3HE LYS 118 6.313 3.863 7.290 417 1HZ LYS 118 1HZ LYS 118 6.622 4.715 10.076 418 2HZ LYS 118 2HZ LYS 118 7.804 4.305 8.938 419 3HZ LYS 118 3HZ LYS 118 6.907 3.089 9.700 420 H ALA 119 HN ALA 119 2.516 8.718 8.349 421 HA ALA 119 HA ALA 119 1.836 11.194 7.119 422 1HB ALA 119 1HB ALA 119 0.978 9.770 9.594 423 2HB ALA 119 2HB ALA 119 0.624 11.490 9.450 424 3HB ALA 119 3HB ALA 119 0.014 10.366 8.237 425 H ASN 120 HN ASN 120 4.426 11.554 7.373 426 HA ASN 120 HA ASN 120 4.642 13.586 9.475 427 1HB ASN 120 2HB ASN 120 6.119 11.120 9.383 428 2HB ASN 120 3HB ASN 120 7.225 12.474 9.177 429 1HD2 ASN 120 1HD2 ASN 120 6.778 14.325 10.751 430 2HD2 ASN 120 2HD2 ASN 120 6.510 13.864 12.394 Start of MODEL 5 1 H ASN 64 HN ASN 64 2.204 3.361 12.812 2 HA ASN 64 HA ASN 64 3.942 2.117 10.801 3 1HB ASN 64 2HB ASN 64 1.384 0.922 11.884 4 2HB ASN 64 3HB ASN 64 2.133 0.408 10.381 5 1HD2 ASN 64 1HD2 ASN 64 2.009 -1.632 11.665 6 2HD2 ASN 64 2HD2 ASN 64 3.381 -2.028 12.631 7 H LEU 65 HN LEU 65 0.909 3.676 11.632 8 HA LEU 65 HA LEU 65 -0.433 3.772 9.293 9 1HB LEU 65 2HB LEU 65 -1.414 4.826 11.122 10 2HB LEU 65 3HB LEU 65 -0.073 5.915 11.356 11 HG LEU 65 HG LEU 65 -0.686 7.059 9.280 12 1HD1 LEU 65 1HD1 LEU 65 -1.935 6.014 7.781 13 2HD1 LEU 65 2HD1 LEU 65 -2.304 4.738 8.944 14 3HD1 LEU 65 3HD1 LEU 65 -3.313 6.180 8.871 15 1HD2 LEU 65 1HD2 LEU 65 -1.556 7.931 11.360 16 2HD2 LEU 65 2HD2 LEU 65 -2.781 8.084 10.099 17 3HD2 LEU 65 3HD2 LEU 65 -2.906 6.797 11.299 18 H VAL 66 HN VAL 66 -0.476 4.878 7.490 19 HA VAL 66 HA VAL 66 1.844 6.557 6.806 20 HB VAL 66 HB VAL 66 1.482 5.628 4.478 21 1HG1 VAL 66 1HG1 VAL 66 3.467 5.084 5.657 22 2HG1 VAL 66 2HG1 VAL 66 2.601 3.959 6.705 23 3HG1 VAL 66 3HG1 VAL 66 2.834 3.574 5.000 24 1HG2 VAL 66 1HG2 VAL 66 -0.618 4.541 4.712 25 2HG2 VAL 66 2HG2 VAL 66 0.592 3.287 4.451 26 3HG2 VAL 66 3HG2 VAL 66 -0.032 3.584 6.072 27 H ILE 67 HN ILE 67 1.308 7.499 4.465 28 HA ILE 67 HA ILE 67 -1.435 8.415 4.310 29 HB ILE 67 HB ILE 67 0.698 10.103 5.305 30 1HG1 ILE 67 2HG1 ILE 67 -2.271 10.313 4.915 31 2HG1 ILE 67 3HG1 ILE 67 -1.413 9.929 6.376 32 1HG2 ILE 67 1HG2 ILE 67 0.985 10.856 3.023 33 2HG2 ILE 67 2HG2 ILE 67 -0.757 11.072 2.844 34 3HG2 ILE 67 3HG2 ILE 67 0.150 12.103 3.951 35 1HD1 ILE 67 1HD1 ILE 67 -1.416 12.058 6.961 36 2HD1 ILE 67 2HD1 ILE 67 -0.576 12.492 5.471 37 3HD1 ILE 67 3HD1 ILE 67 -2.340 12.425 5.503 38 H ALA 68 HN ALA 68 -2.120 8.396 2.322 39 HA ALA 68 HA ALA 68 -0.565 7.520 0.179 40 1HB ALA 68 1HB ALA 68 -2.508 7.375 -0.891 41 2HB ALA 68 2HB ALA 68 -3.246 7.924 0.612 42 3HB ALA 68 3HB ALA 68 -2.867 9.084 -0.662 43 H LEU 69 HN LEU 69 0.288 8.515 -1.625 44 HA LEU 69 HA LEU 69 1.026 11.316 -1.223 45 1HB LEU 69 2HB LEU 69 2.161 9.120 -2.940 46 2HB LEU 69 3HB LEU 69 2.680 10.791 -3.079 47 HG LEU 69 HG LEU 69 2.977 8.993 -0.670 48 1HD1 LEU 69 1HD1 LEU 69 4.666 8.466 -2.224 49 2HD1 LEU 69 2HD1 LEU 69 4.917 10.158 -2.651 50 3HD1 LEU 69 3HD1 LEU 69 5.418 9.564 -1.069 51 1HD2 LEU 69 1HD2 LEU 69 3.165 11.936 -0.970 52 2HD2 LEU 69 2HD2 LEU 69 2.688 10.964 0.422 53 3HD2 LEU 69 3HD2 LEU 69 4.395 11.138 0.010 54 H HIS 70 HN HIS 70 -0.849 9.260 -3.281 55 HA HIS 70 HA HIS 70 -1.773 11.600 -4.747 56 1HB HIS 70 2HB HIS 70 -1.703 9.929 -6.842 57 2HB HIS 70 3HB HIS 70 -0.395 11.036 -6.465 58 HD1 HIS 70 1HD HIS 70 -0.970 7.616 -7.258 59 HD2 HIS 70 2HD HIS 70 1.671 9.650 -4.783 60 HE1 HIS 70 1HE HIS 70 0.910 6.005 -6.817 61 HE2 HIS 70 2HE HIS 70 2.454 7.227 -5.243 62 H SER 71 HN SER 71 -3.529 10.647 -6.449 63 HA SER 71 HA SER 71 -5.548 9.483 -4.757 64 1HB SER 71 2HB SER 71 -6.046 9.793 -7.669 65 2HB SER 71 3HB SER 71 -7.064 10.234 -6.298 66 HG SER 71 HG SER 71 -4.932 11.654 -7.464 67 H TYR 72 HN TYR 72 -6.013 7.393 -4.585 68 HA TYR 72 HA TYR 72 -4.792 5.553 -6.529 69 1HB TYR 72 2HB TYR 72 -4.201 5.226 -4.147 70 2HB TYR 72 3HB TYR 72 -5.892 4.920 -3.789 71 HD1 TYR 72 1HD TYR 72 -6.063 2.686 -3.202 72 HD2 TYR 72 2HD TYR 72 -3.749 3.736 -6.607 73 HE1 TYR 72 1HE TYR 72 -5.760 0.305 -3.720 74 HE2 TYR 72 2HE TYR 72 -3.438 1.357 -7.138 75 HH TYR 72 HH TYR 72 -4.804 -0.837 -6.611 76 H GLU 73 HN GLU 73 -5.902 3.928 -7.516 77 HA GLU 73 HA GLU 73 -8.796 3.806 -7.175 78 1HB GLU 73 2HB GLU 73 -7.418 4.857 -9.410 79 2HB GLU 73 3HB GLU 73 -8.201 3.372 -9.903 80 1HG GLU 73 2HG GLU 73 -10.330 4.191 -9.294 81 2HG GLU 73 3HG GLU 73 -9.621 5.556 -8.431 82 HA PRO 74 HA PRO 74 -7.174 -0.388 -6.340 83 1HB PRO 74 2HB PRO 74 -9.970 -1.110 -6.365 84 2HB PRO 74 3HB PRO 74 -8.859 -1.032 -4.998 85 1HG PRO 74 2HG PRO 74 -10.819 0.953 -5.925 86 2HG PRO 74 3HG PRO 74 -10.072 0.764 -4.330 87 1HD PRO 74 2HD PRO 74 -9.428 2.807 -5.987 88 2HD PRO 74 3HD PRO 74 -8.234 2.049 -4.907 89 H SER 75 HN SER 75 -6.662 -1.932 -7.727 90 HA SER 75 HA SER 75 -8.309 -2.307 -10.134 91 1HB SER 75 2HB SER 75 -5.619 -1.346 -10.024 92 2HB SER 75 3HB SER 75 -5.602 -2.948 -10.760 93 HG SER 75 HG SER 75 -7.360 -0.872 -11.558 94 H HIS 76 HN HIS 76 -5.869 -3.693 -7.968 95 HA HIS 76 HA HIS 76 -6.314 -6.373 -8.930 96 1HB HIS 76 2HB HIS 76 -4.541 -5.077 -6.927 97 2HB HIS 76 3HB HIS 76 -4.934 -6.771 -6.655 98 HD1 HIS 76 1HD HIS 76 -3.104 -4.506 -9.007 99 HD2 HIS 76 2HD HIS 76 -3.778 -8.568 -8.453 100 HE1 HIS 76 1HE HIS 76 -1.482 -5.672 -10.535 101 HE2 HIS 76 2HE HIS 76 -1.962 -8.127 -10.240 102 H ASP 77 HN ASP 77 -7.229 -8.092 -7.734 103 HA ASP 77 HA ASP 77 -9.617 -7.469 -6.393 104 1HB ASP 77 2HB ASP 77 -9.587 -9.939 -5.782 105 2HB ASP 77 3HB ASP 77 -9.504 -9.564 -7.500 106 H GLY 78 HN GLY 78 -10.153 -7.273 -4.278 107 1HA GLY 78 1HA GLY 78 -9.916 -7.225 -1.980 108 2HA GLY 78 2HA GLY 78 -8.458 -8.186 -2.157 109 H ASP 79 HN ASP 79 -8.904 -5.130 -3.809 110 HA ASP 79 HA ASP 79 -6.659 -4.057 -2.268 111 1HB ASP 79 2HB ASP 79 -7.874 -3.281 -4.918 112 2HB ASP 79 3HB ASP 79 -6.674 -2.286 -4.098 113 H LEU 80 HN LEU 80 -6.695 -1.824 -1.602 114 HA LEU 80 HA LEU 80 -9.401 -0.897 -0.906 115 1HB LEU 80 2HB LEU 80 -8.530 -1.376 1.163 116 2HB LEU 80 3HB LEU 80 -6.881 -1.073 0.666 117 HG LEU 80 HG LEU 80 -7.679 1.427 0.598 118 1HD1 LEU 80 1HD1 LEU 80 -9.915 1.438 1.061 119 2HD1 LEU 80 2HD1 LEU 80 -9.815 0.030 2.119 120 3HD1 LEU 80 3HD1 LEU 80 -9.268 1.606 2.694 121 1HD2 LEU 80 1HD2 LEU 80 -6.766 -0.290 2.823 122 2HD2 LEU 80 2HD2 LEU 80 -5.989 1.103 2.070 123 3HD2 LEU 80 3HD2 LEU 80 -7.294 1.343 3.232 124 H GLY 81 HN GLY 81 -9.975 0.990 -1.766 125 1HA GLY 81 1HA GLY 81 -7.952 2.582 -3.125 126 2HA GLY 81 2HA GLY 81 -9.686 2.778 -3.272 127 H PHE 82 HN PHE 82 -7.439 4.675 -2.679 128 HA PHE 82 HA PHE 82 -8.767 5.997 -0.445 129 1HB PHE 82 2HB PHE 82 -6.368 6.630 0.361 130 2HB PHE 82 3HB PHE 82 -7.061 5.083 0.823 131 HD1 PHE 82 1HD PHE 82 -6.443 3.046 -0.625 132 HD2 PHE 82 2HD PHE 82 -4.320 6.726 -0.702 133 HE1 PHE 82 1HE PHE 82 -4.495 1.901 -1.598 134 HE2 PHE 82 2HE PHE 82 -2.360 5.581 -1.669 135 HZ PHE 82 HZ PHE 82 -2.451 3.165 -2.114 136 H GLU 83 HN GLU 83 -7.578 8.237 -0.123 137 HA GLU 83 HA GLU 83 -7.395 9.408 -2.815 138 1HB GLU 83 2HB GLU 83 -8.741 10.177 -0.356 139 2HB GLU 83 3HB GLU 83 -7.746 11.476 -0.992 140 1HG GLU 83 2HG GLU 83 -9.056 10.515 -3.217 141 2HG GLU 83 3HG GLU 83 -10.269 10.426 -1.942 142 H LYS 84 HN LYS 84 -6.095 11.550 -2.771 143 HA LYS 84 HA LYS 84 -3.419 10.891 -1.998 144 1HB LYS 84 2HB LYS 84 -3.541 12.112 -3.981 145 2HB LYS 84 3HB LYS 84 -4.731 13.225 -3.340 146 1HG LYS 84 2HG LYS 84 -2.794 13.958 -1.759 147 2HG LYS 84 3HG LYS 84 -1.768 13.191 -2.969 148 1HD LYS 84 2HD LYS 84 -3.855 15.215 -3.714 149 2HD LYS 84 3HD LYS 84 -2.234 15.697 -3.214 150 1HE LYS 84 2HE LYS 84 -1.499 13.937 -5.017 151 2HE LYS 84 3HE LYS 84 -3.115 14.232 -5.658 152 1HZ LYS 84 1HZ LYS 84 -2.628 16.449 -6.078 153 2HZ LYS 84 2HZ LYS 84 -1.201 15.657 -6.522 154 3HZ LYS 84 3HZ LYS 84 -1.290 16.469 -5.042 155 H GLY 85 HN GLY 85 -2.395 11.388 -0.162 156 1HA GLY 85 1HA GLY 85 -1.882 12.558 1.800 157 2HA GLY 85 2HA GLY 85 -3.257 13.622 1.496 158 H GLU 86 HN GLU 86 -4.657 10.804 1.030 159 HA GLU 86 HA GLU 86 -6.073 10.713 3.424 160 1HB GLU 86 2HB GLU 86 -6.322 9.525 0.993 161 2HB GLU 86 3HB GLU 86 -5.736 8.174 1.942 162 1HG GLU 86 2HG GLU 86 -8.351 9.071 1.673 163 2HG GLU 86 3HG GLU 86 -7.749 7.806 2.720 164 H GLN 87 HN GLN 87 -6.118 8.807 4.912 165 HA GLN 87 HA GLN 87 -3.387 7.838 5.409 166 1HB GLN 87 2HB GLN 87 -5.342 8.406 7.617 167 2HB GLN 87 3HB GLN 87 -3.614 8.122 7.737 168 1HG GLN 87 2HG GLN 87 -3.086 10.244 7.277 169 2HG GLN 87 3HG GLN 87 -4.375 10.417 6.091 170 1HE2 GLN 87 1HE2 GLN 87 -3.938 10.026 9.588 171 2HE2 GLN 87 2HE2 GLN 87 -5.176 11.141 10.043 172 H LEU 88 HN LEU 88 -3.142 5.832 6.231 173 HA LEU 88 HA LEU 88 -5.465 4.111 6.599 174 1HB LEU 88 2HB LEU 88 -3.323 3.000 4.878 175 2HB LEU 88 3HB LEU 88 -5.028 2.611 4.931 176 HG LEU 88 HG LEU 88 -4.480 5.303 3.913 177 1HD1 LEU 88 1HD1 LEU 88 -3.853 3.211 1.938 178 2HD1 LEU 88 2HD1 LEU 88 -3.222 4.851 2.100 179 3HD1 LEU 88 3HD1 LEU 88 -2.598 3.560 3.129 180 1HD2 LEU 88 1HD2 LEU 88 -6.169 4.721 2.362 181 2HD2 LEU 88 2HD2 LEU 88 -5.950 2.993 2.673 182 3HD2 LEU 88 3HD2 LEU 88 -6.659 4.034 3.915 183 H ARG 89 HN ARG 89 -5.136 2.810 8.245 184 HA ARG 89 HA ARG 89 -2.567 2.754 9.510 185 1HB ARG 89 2HB ARG 89 -4.418 2.916 10.975 186 2HB ARG 89 3HB ARG 89 -5.259 1.587 10.188 187 1HG ARG 89 2HG ARG 89 -3.631 0.029 11.013 188 2HG ARG 89 3HG ARG 89 -2.700 1.341 11.717 189 1HD ARG 89 2HD ARG 89 -4.813 1.908 13.013 190 2HD ARG 89 3HD ARG 89 -5.392 0.318 12.543 191 HE ARG 89 HE ARG 89 -2.785 0.344 13.780 192 1HH1 ARG 89 2HH1 ARG 89 -6.228 0.102 14.309 193 2HH1 ARG 89 1HH1 ARG 89 -6.063 -0.713 15.828 194 1HH2 ARG 89 2HH2 ARG 89 -2.568 -0.729 15.778 195 2HH2 ARG 89 1HH2 ARG 89 -3.987 -1.184 16.663 196 H ILE 90 HN ILE 90 -1.137 1.591 8.446 197 HA ILE 90 HA ILE 90 -1.559 -0.617 6.841 198 HB ILE 90 HB ILE 90 0.960 -0.072 8.418 199 1HG1 ILE 90 2HG1 ILE 90 0.222 1.913 7.178 200 2HG1 ILE 90 3HG1 ILE 90 1.687 1.246 6.489 201 1HG2 ILE 90 1HG2 ILE 90 1.092 -1.145 5.690 202 2HG2 ILE 90 2HG2 ILE 90 2.011 -1.585 7.132 203 3HG2 ILE 90 3HG2 ILE 90 0.390 -2.234 6.887 204 1HD1 ILE 90 1HD1 ILE 90 -0.472 0.045 5.143 205 2HD1 ILE 90 2HD1 ILE 90 -0.811 1.773 5.235 206 3HD1 ILE 90 3HD1 ILE 90 0.697 1.208 4.516 207 H LEU 91 HN LEU 91 -2.433 -2.440 7.333 208 HA LEU 91 HA LEU 91 -2.347 -3.588 9.976 209 1HB LEU 91 2HB LEU 91 -3.339 -4.862 7.428 210 2HB LEU 91 3HB LEU 91 -3.817 -5.243 9.071 211 HG LEU 91 HG LEU 91 -4.428 -2.676 7.608 212 1HD1 LEU 91 1HD1 LEU 91 -5.999 -5.161 8.056 213 2HD1 LEU 91 2HD1 LEU 91 -6.825 -3.601 7.989 214 3HD1 LEU 91 3HD1 LEU 91 -5.859 -4.149 6.618 215 1HD2 LEU 91 1HD2 LEU 91 -4.435 -3.316 10.401 216 2HD2 LEU 91 2HD2 LEU 91 -4.819 -1.790 9.605 217 3HD2 LEU 91 3HD2 LEU 91 -6.082 -2.994 9.858 218 H GLU 92 HN GLU 92 -1.153 -4.307 6.758 219 HA GLU 92 HA GLU 92 1.148 -5.671 7.874 220 1HB GLU 92 2HB GLU 92 -1.037 -7.096 6.680 221 2HB GLU 92 3HB GLU 92 0.389 -7.253 5.660 222 1HG GLU 92 2HG GLU 92 1.174 -8.799 7.023 223 2HG GLU 92 3HG GLU 92 1.256 -7.588 8.306 224 H GLN 93 HN GLN 93 2.952 -5.653 6.464 225 HA GLN 93 HA GLN 93 2.564 -4.095 4.019 226 1HB GLN 93 2HB GLN 93 4.939 -3.154 4.754 227 2HB GLN 93 3HB GLN 93 3.433 -2.393 5.230 228 1HG GLN 93 2HG GLN 93 3.500 -3.719 7.304 229 2HG GLN 93 3HG GLN 93 5.076 -4.293 6.812 230 1HE2 GLN 93 1HE2 GLN 93 6.208 -2.025 5.790 231 2HE2 GLN 93 2HE2 GLN 93 6.413 -0.854 7.043 232 H SER 94 HN SER 94 2.859 -6.899 4.189 233 HA SER 94 HA SER 94 5.597 -7.460 3.418 234 1HB SER 94 2HB SER 94 5.051 -9.427 4.321 235 2HB SER 94 3HB SER 94 3.345 -9.001 4.376 236 HG SER 94 HG SER 94 3.300 -10.618 2.981 237 H GLY 95 HN GLY 95 6.312 -7.646 1.390 238 1HA GLY 95 1HA GLY 95 6.269 -7.850 -0.924 239 2HA GLY 95 2HA GLY 95 4.561 -8.226 -0.813 240 H GLU 96 HN GLU 96 5.566 -6.733 -2.827 241 HA GLU 96 HA GLU 96 5.700 -4.006 -2.639 242 1HB GLU 96 2HB GLU 96 6.091 -4.621 -4.771 243 2HB GLU 96 3HB GLU 96 4.946 -5.955 -4.694 244 1HG GLU 96 2HG GLU 96 3.131 -4.513 -5.029 245 2HG GLU 96 3HG GLU 96 4.157 -3.086 -4.919 246 H TRP 97 HN TRP 97 2.928 -5.982 -2.053 247 HA TRP 97 HA TRP 97 1.212 -3.594 -2.080 248 1HB TRP 97 2HB TRP 97 0.616 -6.515 -2.461 249 2HB TRP 97 3HB TRP 97 -0.649 -5.375 -2.019 250 HD1 TRP 97 1HD TRP 97 1.702 -6.258 -4.913 251 HE1 TRP 97 1HE TRP 97 0.835 -5.124 -7.054 252 HE3 TRP 97 3HE TRP 97 -2.043 -3.440 -2.879 253 HZ2 TRP 97 2HZ TRP 97 -1.171 -3.273 -7.782 254 HZ3 TRP 97 3HZ TRP 97 -3.385 -2.012 -4.358 255 HH2 TRP 97 2HH TRP 97 -2.956 -1.929 -6.760 256 H TRP 98 HN TRP 98 0.760 -2.752 -0.155 257 HA TRP 98 HA TRP 98 1.074 -4.419 2.230 258 1HB TRP 98 2HB TRP 98 1.008 -1.429 1.872 259 2HB TRP 98 3HB TRP 98 1.042 -2.225 3.436 260 HD1 TRP 98 1HD TRP 98 3.161 -4.290 1.364 261 HE1 TRP 98 1HE TRP 98 5.647 -3.687 1.659 262 HE3 TRP 98 3HE TRP 98 2.596 0.201 3.670 263 HZ2 TRP 98 2HZ TRP 98 7.168 -1.544 2.730 264 HZ3 TRP 98 3HZ TRP 98 4.601 1.488 4.299 265 HH2 TRP 98 2HH TRP 98 6.844 0.627 3.840 266 H LYS 99 HN LYS 99 -0.488 -4.680 3.740 267 HA LYS 99 HA LYS 99 -3.216 -4.116 2.915 268 1HB LYS 99 2HB LYS 99 -2.716 -6.342 3.804 269 2HB LYS 99 3HB LYS 99 -2.100 -5.630 5.285 270 1HG LYS 99 2HG LYS 99 -4.487 -6.627 5.245 271 2HG LYS 99 3HG LYS 99 -4.199 -5.092 6.067 272 1HD LYS 99 2HD LYS 99 -5.150 -3.853 4.363 273 2HD LYS 99 3HD LYS 99 -5.046 -5.178 3.202 274 1HE LYS 99 2HE LYS 99 -6.609 -6.010 5.447 275 2HE LYS 99 3HE LYS 99 -7.220 -4.467 4.855 276 1HZ LYS 99 1HZ LYS 99 -6.848 -5.837 2.573 277 2HZ LYS 99 2HZ LYS 99 -8.321 -5.736 3.400 278 3HZ LYS 99 3HZ LYS 99 -7.314 -7.075 3.628 279 H ALA 100 HN ALA 100 -4.081 -2.198 3.460 280 HA ALA 100 HA ALA 100 -3.257 -1.014 6.032 281 1HB ALA 100 1HB ALA 100 -3.077 1.060 5.131 282 2HB ALA 100 2HB ALA 100 -2.671 0.110 3.700 283 3HB ALA 100 3HB ALA 100 -4.303 0.758 3.896 284 H GLN 101 HN GLN 101 -4.786 -0.118 7.343 285 HA GLN 101 HA GLN 101 -7.570 -0.621 6.538 286 1HB GLN 101 2HB GLN 101 -7.047 -1.890 8.507 287 2HB GLN 101 3HB GLN 101 -6.313 -0.504 9.289 288 1HG GLN 101 2HG GLN 101 -8.599 0.550 9.104 289 2HG GLN 101 3HG GLN 101 -9.210 -1.044 8.737 290 1HE2 GLN 101 1HE2 GLN 101 -7.670 0.956 11.150 291 2HE2 GLN 101 2HE2 GLN 101 -8.045 -0.044 12.506 292 H SER 102 HN SER 102 -8.460 1.175 5.829 293 HA SER 102 HA SER 102 -7.509 3.734 6.065 294 1HB SER 102 2HB SER 102 -9.919 2.428 5.172 295 2HB SER 102 3HB SER 102 -10.287 3.946 5.950 296 HG SER 102 HG SER 102 -9.586 4.922 4.244 297 H LEU 103 HN LEU 103 -8.596 5.579 7.233 298 HA LEU 103 HA LEU 103 -9.313 4.724 9.960 299 1HB LEU 103 2HB LEU 103 -7.426 6.867 9.071 300 2HB LEU 103 3HB LEU 103 -8.129 6.856 10.674 301 HG LEU 103 HG LEU 103 -7.215 4.304 10.509 302 1HD1 LEU 103 1HD1 LEU 103 -4.862 4.571 9.620 303 2HD1 LEU 103 2HD1 LEU 103 -6.164 4.460 8.434 304 3HD1 LEU 103 3HD1 LEU 103 -5.450 6.026 8.816 305 1HD2 LEU 103 1HD2 LEU 103 -6.824 6.194 12.238 306 2HD2 LEU 103 2HD2 LEU 103 -5.655 4.875 12.103 307 3HD2 LEU 103 3HD2 LEU 103 -5.312 6.442 11.363 308 H THR 104 HN THR 104 -9.983 6.833 7.323 309 HA THR 104 HA THR 104 -11.781 8.516 8.835 310 HB THR 104 HB THR 104 -11.709 8.328 5.840 311 HG1 THR 104 1HG THR 104 -9.565 8.486 6.278 312 1HG2 THR 104 1HG2 THR 104 -11.833 10.835 6.143 313 2HG2 THR 104 2HG2 THR 104 -12.203 10.487 7.833 314 3HG2 THR 104 3HG2 THR 104 -13.263 9.889 6.554 315 H THR 105 HN THR 105 -11.847 5.887 6.570 316 HA THR 105 HA THR 105 -14.744 5.499 6.909 317 HB THR 105 HB THR 105 -14.789 4.697 4.780 318 HG1 THR 105 1HG THR 105 -12.057 4.008 4.926 319 1HG2 THR 105 1HG2 THR 105 -13.950 6.947 4.506 320 2HG2 THR 105 2HG2 THR 105 -13.289 5.882 3.264 321 3HG2 THR 105 3HG2 THR 105 -12.296 6.349 4.647 322 H GLY 106 HN GLY 106 -11.614 4.099 6.987 323 1HA GLY 106 1HA GLY 106 -10.723 2.434 8.217 324 2HA GLY 106 2HA GLY 106 -12.307 2.039 8.822 325 H GLN 107 HN GLN 107 -12.605 2.185 5.543 326 HA GLN 107 HA GLN 107 -13.080 -0.462 5.129 327 1HB GLN 107 2HB GLN 107 -12.409 1.827 3.403 328 2HB GLN 107 3HB GLN 107 -12.429 0.230 2.680 329 1HG GLN 107 2HG GLN 107 -14.607 0.567 2.420 330 2HG GLN 107 3HG GLN 107 -14.704 0.233 4.148 331 1HE2 GLN 107 1HE2 GLN 107 -14.018 2.932 1.946 332 2HE2 GLN 107 2HE2 GLN 107 -14.909 4.111 2.840 333 H GLU 108 HN GLU 108 -11.887 -2.190 5.084 334 HA GLU 108 HA GLU 108 -8.988 -1.924 5.049 335 1HB GLU 108 2HB GLU 108 -10.755 -4.302 5.597 336 2HB GLU 108 3HB GLU 108 -9.008 -4.319 5.688 337 1HG GLU 108 2HG GLU 108 -9.041 -3.519 7.736 338 2HG GLU 108 3HG GLU 108 -10.055 -2.163 7.255 339 H GLY 109 HN GLY 109 -7.615 -2.971 3.643 340 1HA GLY 109 1HA GLY 109 -8.263 -4.788 1.656 341 2HA GLY 109 2HA GLY 109 -8.508 -3.196 0.957 342 H PHE 110 HN PHE 110 -6.721 -4.478 -0.360 343 HA PHE 110 HA PHE 110 -4.075 -4.127 0.774 344 1HB PHE 110 2HB PHE 110 -5.269 -5.615 -1.468 345 2HB PHE 110 3HB PHE 110 -3.676 -4.956 -1.787 346 HD1 PHE 110 1HD PHE 110 -5.210 -6.423 1.274 347 HD2 PHE 110 2HD PHE 110 -2.133 -6.662 -1.659 348 HE1 PHE 110 1HE PHE 110 -4.200 -8.310 2.490 349 HE2 PHE 110 2HE PHE 110 -1.120 -8.549 -0.448 350 HZ PHE 110 HZ PHE 110 -2.153 -9.375 1.628 351 H ILE 111 HN ILE 111 -2.592 -2.632 0.099 352 HA ILE 111 HA ILE 111 -3.422 -0.771 -2.023 353 HB ILE 111 HB ILE 111 -2.590 1.129 -0.719 354 1HG1 ILE 111 2HG1 ILE 111 -2.522 -0.553 1.756 355 2HG1 ILE 111 3HG1 ILE 111 -1.131 -0.551 0.685 356 1HG2 ILE 111 1HG2 ILE 111 -4.994 0.240 -0.634 357 2HG2 ILE 111 2HG2 ILE 111 -4.592 -0.274 1.006 358 3HG2 ILE 111 3HG2 ILE 111 -4.494 1.432 0.563 359 1HD1 ILE 111 1HD1 ILE 111 -2.157 1.571 2.447 360 2HD1 ILE 111 2HD1 ILE 111 -0.500 1.125 2.037 361 3HD1 ILE 111 3HD1 ILE 111 -1.464 2.073 0.905 362 HA PRO 112 HA PRO 112 0.580 -1.233 -3.755 363 1HB PRO 112 2HB PRO 112 0.883 1.410 -4.589 364 2HB PRO 112 3HB PRO 112 0.091 0.129 -5.509 365 1HG PRO 112 2HG PRO 112 -1.115 2.261 -3.824 366 2HG PRO 112 3HG PRO 112 -1.712 1.535 -5.316 367 1HD PRO 112 2HD PRO 112 -2.723 0.911 -2.913 368 2HD PRO 112 3HD PRO 112 -2.615 -0.268 -4.227 369 H PHE 113 HN PHE 113 2.304 -1.430 -2.431 370 HA PHE 113 HA PHE 113 2.776 0.077 -0.151 371 1HB PHE 113 2HB PHE 113 4.755 -1.119 0.105 372 2HB PHE 113 3HB PHE 113 3.770 -2.196 -0.881 373 HD1 PHE 113 1HD PHE 113 6.923 -1.735 -0.464 374 HD2 PHE 113 2HD PHE 113 4.113 -0.890 -3.545 375 HE1 PHE 113 1HE PHE 113 8.730 -1.825 -2.130 376 HE2 PHE 113 2HE PHE 113 5.914 -0.977 -5.217 377 HZ PHE 113 HZ PHE 113 8.227 -1.446 -4.511 378 H ASN 114 HN ASN 114 3.433 0.924 -3.421 379 HA ASN 114 HA ASN 114 5.297 3.028 -2.582 380 1HB ASN 114 2HB ASN 114 5.572 3.324 -5.102 381 2HB ASN 114 3HB ASN 114 6.191 1.828 -4.413 382 1HD2 ASN 114 1HD2 ASN 114 4.313 3.169 -6.809 383 2HD2 ASN 114 2HD2 ASN 114 3.483 1.746 -7.329 384 H PHE 115 HN PHE 115 2.496 3.190 -1.962 385 HA PHE 115 HA PHE 115 1.720 5.523 -3.596 386 1HB PHE 115 2HB PHE 115 0.335 3.147 -3.240 387 2HB PHE 115 3HB PHE 115 -0.445 4.248 -2.120 388 HD1 PHE 115 1HD PHE 115 -1.294 6.472 -3.046 389 HD2 PHE 115 2HD PHE 115 -0.175 3.182 -5.499 390 HE1 PHE 115 1HE PHE 115 -2.653 7.376 -4.877 391 HE2 PHE 115 2HE PHE 115 -1.532 4.083 -7.333 392 HZ PHE 115 HZ PHE 115 -2.772 6.188 -7.031 393 H VAL 116 HN VAL 116 2.010 4.145 -0.391 394 HA VAL 116 HA VAL 116 1.098 6.686 0.770 395 HB VAL 116 HB VAL 116 0.752 5.428 2.858 396 1HG1 VAL 116 1HG1 VAL 116 -1.211 5.671 1.695 397 2HG1 VAL 116 2HG1 VAL 116 -0.650 4.696 0.336 398 3HG1 VAL 116 3HG1 VAL 116 -1.111 3.918 1.850 399 1HG2 VAL 116 1HG2 VAL 116 1.978 3.540 3.038 400 2HG2 VAL 116 2HG2 VAL 116 0.614 2.798 2.202 401 3HG2 VAL 116 3HG2 VAL 116 2.039 3.297 1.293 402 H ALA 117 HN ALA 117 2.181 7.679 2.412 403 HA ALA 117 HA ALA 117 4.872 6.732 3.090 404 1HB ALA 117 1HB ALA 117 5.861 8.865 2.714 405 2HB ALA 117 2HB ALA 117 4.962 8.459 1.252 406 3HB ALA 117 3HB ALA 117 4.293 9.611 2.406 407 H LYS 118 HN LYS 118 5.480 7.199 5.200 408 HA LYS 118 HA LYS 118 3.707 7.283 7.215 409 1HB LYS 118 2HB LYS 118 6.409 8.634 7.181 410 2HB LYS 118 3HB LYS 118 5.487 8.299 8.639 411 1HG LYS 118 2HG LYS 118 6.727 6.332 6.739 412 2HG LYS 118 3HG LYS 118 7.086 6.579 8.450 413 1HD LYS 118 2HD LYS 118 4.827 5.799 9.018 414 2HD LYS 118 3HD LYS 118 4.504 5.521 7.308 415 1HE LYS 118 2HE LYS 118 5.120 3.412 7.983 416 2HE LYS 118 3HE LYS 118 6.670 4.059 7.445 417 1HZ LYS 118 1HZ LYS 118 6.702 4.805 9.988 418 2HZ LYS 118 2HZ LYS 118 7.313 3.319 9.459 419 3HZ LYS 118 3HZ LYS 118 5.762 3.405 10.129 420 H ALA 119 HN ALA 119 2.487 8.697 8.345 421 HA ALA 119 HA ALA 119 1.775 11.171 7.132 422 1HB ALA 119 1HB ALA 119 -0.032 10.316 8.254 423 2HB ALA 119 2HB ALA 119 0.945 9.723 9.602 424 3HB ALA 119 3HB ALA 119 0.571 11.441 9.469 425 H ASN 120 HN ASN 120 4.360 11.560 7.371 426 HA ASN 120 HA ASN 120 4.548 13.803 9.157 427 1HB ASN 120 2HB ASN 120 5.752 11.225 9.871 428 2HB ASN 120 3HB ASN 120 6.894 12.566 9.892 429 1HD2 ASN 120 1HD2 ASN 120 5.882 11.007 12.106 430 2HD2 ASN 120 2HD2 ASN 120 5.111 12.120 13.179 Start of MODEL 6 1 H ASN 64 HN ASN 64 0.958 2.829 12.867 2 HA ASN 64 HA ASN 64 3.317 2.348 11.393 3 1HB ASN 64 2HB ASN 64 1.404 0.064 11.681 4 2HB ASN 64 3HB ASN 64 2.146 0.338 10.111 5 1HD2 ASN 64 1HD2 ASN 64 2.551 -1.970 11.579 6 2HD2 ASN 64 2HD2 ASN 64 4.206 -2.038 12.066 7 H LEU 65 HN LEU 65 1.096 4.215 11.681 8 HA LEU 65 HA LEU 65 -0.520 3.905 9.341 9 1HB LEU 65 2HB LEU 65 -1.580 4.969 11.117 10 2HB LEU 65 3HB LEU 65 -0.265 6.085 11.378 11 HG LEU 65 HG LEU 65 -0.808 7.172 9.264 12 1HD1 LEU 65 1HD1 LEU 65 -3.404 6.210 8.773 13 2HD1 LEU 65 2HD1 LEU 65 -1.986 6.107 7.730 14 3HD1 LEU 65 3HD1 LEU 65 -2.334 4.813 8.876 15 1HD2 LEU 65 1HD2 LEU 65 -2.959 8.178 9.967 16 2HD2 LEU 65 2HD2 LEU 65 -3.108 6.918 11.192 17 3HD2 LEU 65 3HD2 LEU 65 -1.783 8.078 11.278 18 H VAL 66 HN VAL 66 -0.489 4.965 7.521 19 HA VAL 66 HA VAL 66 1.843 6.648 6.892 20 HB VAL 66 HB VAL 66 1.542 5.697 4.559 21 1HG1 VAL 66 1HG1 VAL 66 2.843 3.600 5.188 22 2HG1 VAL 66 2HG1 VAL 66 3.509 5.147 5.713 23 3HG1 VAL 66 3HG1 VAL 66 2.640 4.128 6.860 24 1HG2 VAL 66 1HG2 VAL 66 -0.574 4.615 4.786 25 2HG2 VAL 66 2HG2 VAL 66 0.647 3.376 4.503 26 3HG2 VAL 66 3HG2 VAL 66 0.019 3.639 6.129 27 H ILE 67 HN ILE 67 1.357 7.564 4.522 28 HA ILE 67 HA ILE 67 -1.380 8.467 4.296 29 HB ILE 67 HB ILE 67 0.705 10.159 5.372 30 1HG1 ILE 67 2HG1 ILE 67 -2.248 10.375 4.873 31 2HG1 ILE 67 3HG1 ILE 67 -1.447 9.955 6.359 32 1HG2 ILE 67 1HG2 ILE 67 -0.656 11.130 2.858 33 2HG2 ILE 67 2HG2 ILE 67 0.175 12.171 4.013 34 3HG2 ILE 67 3HG2 ILE 67 1.079 10.947 3.122 35 1HD1 ILE 67 1HD1 ILE 67 -1.443 12.072 6.989 36 2HD1 ILE 67 2HD1 ILE 67 -0.575 12.537 5.526 37 3HD1 ILE 67 3HD1 ILE 67 -2.338 12.471 5.522 38 H ALA 68 HN ALA 68 -2.006 8.420 2.294 39 HA ALA 68 HA ALA 68 -0.357 7.590 0.192 40 1HB ALA 68 1HB ALA 68 -2.287 7.257 -0.851 41 2HB ALA 68 2HB ALA 68 -3.083 7.897 0.588 42 3HB ALA 68 3HB ALA 68 -2.710 8.967 -0.765 43 H LEU 69 HN LEU 69 0.338 8.615 -1.689 44 HA LEU 69 HA LEU 69 0.671 11.536 -1.469 45 1HB LEU 69 2HB LEU 69 2.544 9.432 -2.538 46 2HB LEU 69 3HB LEU 69 2.777 11.150 -2.815 47 HG LEU 69 HG LEU 69 2.738 9.807 -0.108 48 1HD1 LEU 69 1HD1 LEU 69 5.178 10.730 -0.202 49 2HD1 LEU 69 2HD1 LEU 69 4.792 9.188 -0.964 50 3HD1 LEU 69 3HD1 LEU 69 4.943 10.646 -1.947 51 1HD2 LEU 69 1HD2 LEU 69 1.887 12.057 0.040 52 2HD2 LEU 69 2HD2 LEU 69 3.525 12.016 0.690 53 3HD2 LEU 69 3HD2 LEU 69 3.232 12.668 -0.922 54 H HIS 70 HN HIS 70 -1.178 9.468 -2.996 55 HA HIS 70 HA HIS 70 -1.593 11.121 -5.275 56 1HB HIS 70 2HB HIS 70 -1.191 8.651 -6.577 57 2HB HIS 70 3HB HIS 70 -0.258 10.127 -6.776 58 HD1 HIS 70 1HD HIS 70 2.007 9.043 -7.063 59 HD2 HIS 70 2HD HIS 70 0.084 7.837 -3.589 60 HE1 HIS 70 1HE HIS 70 3.735 7.789 -5.745 61 HE2 HIS 70 2HE HIS 70 2.599 7.238 -3.569 62 H SER 71 HN SER 71 -3.595 10.766 -6.202 63 HA SER 71 HA SER 71 -5.544 9.457 -4.692 64 1HB SER 71 2HB SER 71 -6.066 9.766 -7.597 65 2HB SER 71 3HB SER 71 -7.042 10.267 -6.218 66 HG SER 71 HG SER 71 -6.049 12.004 -7.460 67 H TYR 72 HN TYR 72 -6.079 7.382 -4.499 68 HA TYR 72 HA TYR 72 -4.969 5.495 -6.462 69 1HB TYR 72 2HB TYR 72 -4.366 5.223 -4.036 70 2HB TYR 72 3HB TYR 72 -6.048 4.829 -3.729 71 HD1 TYR 72 1HD TYR 72 -6.193 2.579 -3.240 72 HD2 TYR 72 2HD TYR 72 -3.721 3.811 -6.473 73 HE1 TYR 72 1HE TYR 72 -5.768 0.227 -3.805 74 HE2 TYR 72 2HE TYR 72 -3.298 1.462 -7.051 75 HH TYR 72 HH TYR 72 -4.884 -0.881 -6.482 76 H GLU 73 HN GLU 73 -6.149 3.866 -7.369 77 HA GLU 73 HA GLU 73 -9.030 3.818 -6.949 78 1HB GLU 73 2HB GLU 73 -7.709 4.867 -9.220 79 2HB GLU 73 3HB GLU 73 -8.541 3.403 -9.700 80 1HG GLU 73 2HG GLU 73 -10.629 4.259 -9.023 81 2HG GLU 73 3HG GLU 73 -9.867 5.587 -8.145 82 HA PRO 74 HA PRO 74 -7.459 -0.415 -6.212 83 1HB PRO 74 2HB PRO 74 -10.270 -1.085 -6.177 84 2HB PRO 74 3HB PRO 74 -9.123 -1.051 -4.838 85 1HG PRO 74 2HG PRO 74 -11.065 0.988 -5.682 86 2HG PRO 74 3HG PRO 74 -10.281 0.760 -4.111 87 1HD PRO 74 2HD PRO 74 -9.640 2.814 -5.753 88 2HD PRO 74 3HD PRO 74 -8.432 2.014 -4.720 89 H SER 75 HN SER 75 -6.892 -1.800 -7.728 90 HA SER 75 HA SER 75 -8.661 -2.192 -10.049 91 1HB SER 75 2HB SER 75 -6.149 -1.005 -10.133 92 2HB SER 75 3HB SER 75 -5.843 -2.668 -10.631 93 HG SER 75 HG SER 75 -7.574 -0.766 -11.800 94 H HIS 76 HN HIS 76 -6.170 -3.573 -7.952 95 HA HIS 76 HA HIS 76 -6.494 -6.224 -9.028 96 1HB HIS 76 2HB HIS 76 -4.796 -4.940 -6.958 97 2HB HIS 76 3HB HIS 76 -5.146 -6.650 -6.731 98 HD1 HIS 76 1HD HIS 76 -2.942 -4.387 -8.521 99 HD2 HIS 76 2HD HIS 76 -4.320 -8.273 -9.034 100 HE1 HIS 76 1HE HIS 76 -1.367 -5.447 -10.171 101 HE2 HIS 76 2HE HIS 76 -2.269 -7.772 -10.527 102 H ASP 77 HN ASP 77 -6.894 -8.058 -7.396 103 HA ASP 77 HA ASP 77 -9.514 -7.655 -6.297 104 1HB ASP 77 2HB ASP 77 -8.052 -9.845 -7.248 105 2HB ASP 77 3HB ASP 77 -8.287 -10.169 -5.533 106 H GLY 78 HN GLY 78 -10.130 -7.486 -4.199 107 1HA GLY 78 1HA GLY 78 -9.967 -7.201 -1.923 108 2HA GLY 78 2HA GLY 78 -8.524 -8.198 -1.982 109 H ASP 79 HN ASP 79 -9.042 -5.114 -3.636 110 HA ASP 79 HA ASP 79 -6.746 -4.051 -2.147 111 1HB ASP 79 2HB ASP 79 -7.933 -3.239 -4.800 112 2HB ASP 79 3HB ASP 79 -6.635 -2.363 -3.997 113 H LEU 80 HN LEU 80 -6.772 -1.880 -1.423 114 HA LEU 80 HA LEU 80 -9.468 -0.908 -0.764 115 1HB LEU 80 2HB LEU 80 -8.531 -1.312 1.296 116 2HB LEU 80 3HB LEU 80 -6.902 -1.002 0.739 117 HG LEU 80 HG LEU 80 -7.495 1.445 0.692 118 1HD1 LEU 80 1HD1 LEU 80 -9.728 1.788 0.746 119 2HD1 LEU 80 2HD1 LEU 80 -10.041 0.315 1.663 120 3HD1 LEU 80 3HD1 LEU 80 -9.463 1.764 2.491 121 1HD2 LEU 80 1HD2 LEU 80 -7.602 -0.029 3.316 122 2HD2 LEU 80 2HD2 LEU 80 -6.155 0.528 2.473 123 3HD2 LEU 80 3HD2 LEU 80 -7.293 1.698 3.142 124 H GLY 81 HN GLY 81 -10.056 1.098 -1.394 125 1HA GLY 81 1HA GLY 81 -8.104 2.601 -2.975 126 2HA GLY 81 2HA GLY 81 -9.842 2.812 -3.033 127 H PHE 82 HN PHE 82 -7.568 4.696 -2.613 128 HA PHE 82 HA PHE 82 -8.760 6.120 -0.379 129 1HB PHE 82 2HB PHE 82 -6.315 6.670 0.366 130 2HB PHE 82 3HB PHE 82 -7.083 5.185 0.905 131 HD1 PHE 82 1HD PHE 82 -4.206 6.569 -0.550 132 HD2 PHE 82 2HD PHE 82 -6.654 3.093 -0.624 133 HE1 PHE 82 1HE PHE 82 -2.326 5.269 -1.482 134 HE2 PHE 82 2HE PHE 82 -4.789 1.796 -1.560 135 HZ PHE 82 HZ PHE 82 -2.623 2.881 -1.984 136 H GLU 83 HN GLU 83 -7.511 8.319 -0.154 137 HA GLU 83 HA GLU 83 -7.249 9.372 -2.890 138 1HB GLU 83 2HB GLU 83 -8.640 10.276 -0.500 139 2HB GLU 83 3HB GLU 83 -7.610 11.525 -1.179 140 1HG GLU 83 2HG GLU 83 -8.893 10.470 -3.380 141 2HG GLU 83 3HG GLU 83 -10.132 10.470 -2.126 142 H LYS 84 HN LYS 84 -5.897 11.490 -2.897 143 HA LYS 84 HA LYS 84 -3.264 10.798 -2.036 144 1HB LYS 84 2HB LYS 84 -3.301 11.998 -4.036 145 2HB LYS 84 3HB LYS 84 -4.484 13.148 -3.441 146 1HG LYS 84 2HG LYS 84 -2.548 13.825 -1.803 147 2HG LYS 84 3HG LYS 84 -1.533 13.068 -3.029 148 1HD LYS 84 2HD LYS 84 -3.587 14.941 -4.012 149 2HD LYS 84 3HD LYS 84 -2.267 15.656 -3.085 150 1HE LYS 84 2HE LYS 84 -1.001 13.886 -4.796 151 2HE LYS 84 3HE LYS 84 -2.281 14.586 -5.785 152 1HZ LYS 84 1HZ LYS 84 0.104 15.720 -5.409 153 2HZ LYS 84 2HZ LYS 84 -0.780 16.476 -4.182 154 3HZ LYS 84 3HZ LYS 84 -1.298 16.588 -5.788 155 H GLY 85 HN GLY 85 -2.273 11.304 -0.192 156 1HA GLY 85 1HA GLY 85 -1.769 12.517 1.749 157 2HA GLY 85 2HA GLY 85 -3.153 13.561 1.425 158 H GLU 86 HN GLU 86 -4.629 10.836 0.978 159 HA GLU 86 HA GLU 86 -6.015 10.727 3.372 160 1HB GLU 86 2HB GLU 86 -6.277 9.542 0.945 161 2HB GLU 86 3HB GLU 86 -5.698 8.185 1.892 162 1HG GLU 86 2HG GLU 86 -8.309 9.099 1.627 163 2HG GLU 86 3HG GLU 86 -7.714 7.829 2.674 164 H GLN 87 HN GLN 87 -6.083 8.818 4.863 165 HA GLN 87 HA GLN 87 -3.360 7.838 5.380 166 1HB GLN 87 2HB GLN 87 -5.327 8.398 7.576 167 2HB GLN 87 3HB GLN 87 -3.597 8.136 7.700 168 1HG GLN 87 2HG GLN 87 -3.098 10.267 7.260 169 2HG GLN 87 3HG GLN 87 -4.361 10.418 6.042 170 1HE2 GLN 87 1HE2 GLN 87 -4.674 9.467 9.422 171 2HE2 GLN 87 2HE2 GLN 87 -5.678 10.792 9.891 172 H LEU 88 HN LEU 88 -3.115 5.832 6.161 173 HA LEU 88 HA LEU 88 -5.430 4.104 6.557 174 1HB LEU 88 2HB LEU 88 -3.314 2.987 4.814 175 2HB LEU 88 3HB LEU 88 -5.027 2.629 4.867 176 HG LEU 88 HG LEU 88 -4.441 5.316 3.870 177 1HD1 LEU 88 1HD1 LEU 88 -3.809 3.226 1.892 178 2HD1 LEU 88 2HD1 LEU 88 -3.182 4.867 2.055 179 3HD1 LEU 88 3HD1 LEU 88 -2.562 3.579 3.091 180 1HD2 LEU 88 1HD2 LEU 88 -5.927 3.023 2.619 181 2HD2 LEU 88 2HD2 LEU 88 -6.632 4.088 3.842 182 3HD2 LEU 88 3HD2 LEU 88 -6.115 4.750 2.289 183 H ARG 89 HN ARG 89 -5.079 2.774 8.182 184 HA ARG 89 HA ARG 89 -2.495 2.713 9.424 185 1HB ARG 89 2HB ARG 89 -4.330 2.843 10.910 186 2HB ARG 89 3HB ARG 89 -5.181 1.533 10.102 187 1HG ARG 89 2HG ARG 89 -3.588 -0.054 10.900 188 2HG ARG 89 3HG ARG 89 -2.601 1.229 11.585 189 1HD ARG 89 2HD ARG 89 -4.716 1.842 12.905 190 2HD ARG 89 3HD ARG 89 -5.267 0.227 12.494 191 HE ARG 89 HE ARG 89 -2.635 0.376 13.684 192 1HH1 ARG 89 2HH1 ARG 89 -6.057 -0.031 14.250 193 2HH1 ARG 89 1HH1 ARG 89 -5.836 -0.826 15.772 194 1HH2 ARG 89 2HH2 ARG 89 -2.346 -0.667 15.688 195 2HH2 ARG 89 1HH2 ARG 89 -3.731 -1.186 16.589 196 H ILE 90 HN ILE 90 -1.049 1.541 8.392 197 HA ILE 90 HA ILE 90 -1.519 -0.636 6.731 198 HB ILE 90 HB ILE 90 1.048 -0.111 8.229 199 1HG1 ILE 90 2HG1 ILE 90 0.184 1.897 7.057 200 2HG1 ILE 90 3HG1 ILE 90 1.697 1.324 6.393 201 1HG2 ILE 90 1HG2 ILE 90 2.029 -1.628 6.911 202 2HG2 ILE 90 2HG2 ILE 90 0.392 -2.206 6.595 203 3HG2 ILE 90 3HG2 ILE 90 1.159 -1.073 5.479 204 1HD1 ILE 90 1HD1 ILE 90 -0.729 1.830 5.058 205 2HD1 ILE 90 2HD1 ILE 90 0.780 1.212 4.388 206 3HD1 ILE 90 3HD1 ILE 90 -0.442 0.091 4.985 207 H LEU 91 HN LEU 91 -2.379 -2.457 7.232 208 HA LEU 91 HA LEU 91 -2.205 -3.639 9.854 209 1HB LEU 91 2HB LEU 91 -3.273 -4.890 7.329 210 2HB LEU 91 3HB LEU 91 -3.702 -5.283 8.983 211 HG LEU 91 HG LEU 91 -4.358 -2.709 7.549 212 1HD1 LEU 91 1HD1 LEU 91 -5.888 -5.209 7.996 213 2HD1 LEU 91 2HD1 LEU 91 -6.745 -3.665 8.041 214 3HD1 LEU 91 3HD1 LEU 91 -5.844 -4.134 6.599 215 1HD2 LEU 91 1HD2 LEU 91 -4.520 -1.875 9.613 216 2HD2 LEU 91 2HD2 LEU 91 -5.968 -2.871 9.769 217 3HD2 LEU 91 3HD2 LEU 91 -4.418 -3.469 10.360 218 H GLU 92 HN GLU 92 -1.136 -4.356 6.585 219 HA GLU 92 HA GLU 92 1.147 -5.811 7.651 220 1HB GLU 92 2HB GLU 92 -1.068 -7.097 6.409 221 2HB GLU 92 3HB GLU 92 0.308 -7.196 5.317 222 1HG GLU 92 2HG GLU 92 1.113 -8.863 6.515 223 2HG GLU 92 3HG GLU 92 1.290 -7.752 7.877 224 H GLN 93 HN GLN 93 2.986 -5.500 6.505 225 HA GLN 93 HA GLN 93 2.739 -3.969 4.023 226 1HB GLN 93 2HB GLN 93 5.040 -3.011 4.888 227 2HB GLN 93 3HB GLN 93 3.508 -2.301 5.366 228 1HG GLN 93 2HG GLN 93 3.568 -3.791 7.360 229 2HG GLN 93 3HG GLN 93 5.198 -4.200 6.883 230 1HE2 GLN 93 1HE2 GLN 93 6.343 -1.929 6.162 231 2HE2 GLN 93 2HE2 GLN 93 6.351 -0.778 7.450 232 H SER 94 HN SER 94 3.006 -6.769 4.224 233 HA SER 94 HA SER 94 5.778 -7.289 3.457 234 1HB SER 94 2HB SER 94 4.272 -9.657 3.240 235 2HB SER 94 3HB SER 94 5.400 -9.227 4.524 236 HG SER 94 HG SER 94 3.712 -8.399 5.708 237 H GLY 95 HN GLY 95 6.346 -7.295 1.389 238 1HA GLY 95 1HA GLY 95 6.159 -7.890 -0.887 239 2HA GLY 95 2HA GLY 95 4.449 -8.188 -0.639 240 H GLU 96 HN GLU 96 5.544 -6.815 -2.796 241 HA GLU 96 HA GLU 96 5.670 -4.081 -2.724 242 1HB GLU 96 2HB GLU 96 6.110 -4.796 -4.819 243 2HB GLU 96 3HB GLU 96 4.944 -6.108 -4.719 244 1HG GLU 96 2HG GLU 96 3.158 -4.652 -5.154 245 2HG GLU 96 3HG GLU 96 4.201 -3.238 -5.068 246 H TRP 97 HN TRP 97 2.896 -6.043 -2.115 247 HA TRP 97 HA TRP 97 1.182 -3.656 -2.238 248 1HB TRP 97 2HB TRP 97 0.605 -6.574 -2.641 249 2HB TRP 97 3HB TRP 97 -0.680 -5.460 -2.185 250 HD1 TRP 97 1HD TRP 97 1.668 -6.292 -5.090 251 HE1 TRP 97 1HE TRP 97 0.818 -5.101 -7.207 252 HE3 TRP 97 3HE TRP 97 -2.044 -3.473 -2.999 253 HZ2 TRP 97 2HZ TRP 97 -1.164 -3.208 -7.896 254 HZ3 TRP 97 3HZ TRP 97 -3.365 -1.998 -4.447 255 HH2 TRP 97 2HH TRP 97 -2.931 -1.862 -6.847 256 H TRP 98 HN TRP 98 0.945 -2.758 -0.303 257 HA TRP 98 HA TRP 98 1.120 -4.397 2.100 258 1HB TRP 98 2HB TRP 98 1.106 -1.418 1.662 259 2HB TRP 98 3HB TRP 98 1.040 -2.149 3.256 260 HD1 TRP 98 1HD TRP 98 3.225 -4.276 1.265 261 HE1 TRP 98 1HE TRP 98 5.703 -3.728 1.708 262 HE3 TRP 98 3HE TRP 98 2.625 0.179 3.638 263 HZ2 TRP 98 2HZ TRP 98 7.204 -1.642 2.904 264 HZ3 TRP 98 3HZ TRP 98 4.617 1.410 4.399 265 HH2 TRP 98 2HH TRP 98 6.863 0.512 4.042 266 H LYS 99 HN LYS 99 -0.455 -4.654 3.582 267 HA LYS 99 HA LYS 99 -3.178 -4.078 2.745 268 1HB LYS 99 2HB LYS 99 -2.730 -6.311 3.599 269 2HB LYS 99 3HB LYS 99 -2.039 -5.645 5.068 270 1HG LYS 99 2HG LYS 99 -4.442 -6.592 5.108 271 2HG LYS 99 3HG LYS 99 -4.091 -5.079 5.947 272 1HD LYS 99 2HD LYS 99 -5.110 -3.792 4.340 273 2HD LYS 99 3HD LYS 99 -5.038 -5.064 3.118 274 1HE LYS 99 2HE LYS 99 -6.534 -5.985 5.379 275 2HE LYS 99 3HE LYS 99 -7.168 -4.430 4.850 276 1HZ LYS 99 1HZ LYS 99 -8.288 -5.628 3.359 277 2HZ LYS 99 2HZ LYS 99 -7.324 -7.000 3.576 278 3HZ LYS 99 3HZ LYS 99 -6.821 -5.773 2.527 279 H ALA 100 HN ALA 100 -4.036 -2.158 3.313 280 HA ALA 100 HA ALA 100 -3.211 -1.016 5.903 281 1HB ALA 100 1HB ALA 100 -3.017 1.069 5.037 282 2HB ALA 100 2HB ALA 100 -2.623 0.144 3.586 283 3HB ALA 100 3HB ALA 100 -4.250 0.799 3.802 284 H GLN 101 HN GLN 101 -4.733 -0.144 7.227 285 HA GLN 101 HA GLN 101 -7.520 -0.625 6.424 286 1HB GLN 101 2HB GLN 101 -7.000 -1.918 8.374 287 2HB GLN 101 3HB GLN 101 -6.248 -0.549 9.169 288 1HG GLN 101 2HG GLN 101 -8.525 0.528 9.016 289 2HG GLN 101 3HG GLN 101 -9.154 -1.056 8.632 290 1HE2 GLN 101 1HE2 GLN 101 -7.566 0.894 11.058 291 2HE2 GLN 101 2HE2 GLN 101 -7.942 -0.119 12.405 292 H SER 102 HN SER 102 -8.406 1.181 5.740 293 HA SER 102 HA SER 102 -7.453 3.733 5.996 294 1HB SER 102 2HB SER 102 -9.871 2.437 5.112 295 2HB SER 102 3HB SER 102 -10.230 3.952 5.897 296 HG SER 102 HG SER 102 -9.598 4.890 4.144 297 H LEU 103 HN LEU 103 -8.563 5.567 7.182 298 HA LEU 103 HA LEU 103 -9.266 4.687 9.904 299 1HB LEU 103 2HB LEU 103 -7.374 6.838 9.038 300 2HB LEU 103 3HB LEU 103 -8.079 6.808 10.641 301 HG LEU 103 HG LEU 103 -7.163 4.251 10.425 302 1HD1 LEU 103 1HD1 LEU 103 -5.388 6.024 8.798 303 2HD1 LEU 103 2HD1 LEU 103 -4.795 4.558 9.579 304 3HD1 LEU 103 3HD1 LEU 103 -6.080 4.459 8.375 305 1HD2 LEU 103 1HD2 LEU 103 -6.804 6.104 12.206 306 2HD2 LEU 103 2HD2 LEU 103 -5.639 4.783 12.062 307 3HD2 LEU 103 3HD2 LEU 103 -5.276 6.365 11.363 308 H THR 104 HN THR 104 -9.921 6.819 7.283 309 HA THR 104 HA THR 104 -11.723 8.496 8.793 310 HB THR 104 HB THR 104 -11.653 8.309 5.799 311 HG1 THR 104 1HG THR 104 -9.772 9.744 7.359 312 1HG2 THR 104 1HG2 THR 104 -13.201 9.873 6.508 313 2HG2 THR 104 2HG2 THR 104 -11.765 10.820 6.110 314 3HG2 THR 104 3HG2 THR 104 -12.148 10.462 7.794 315 H THR 105 HN THR 105 -11.786 5.883 6.508 316 HA THR 105 HA THR 105 -14.681 5.480 6.847 317 HB THR 105 HB THR 105 -14.717 4.677 4.719 318 HG1 THR 105 1HG THR 105 -11.989 3.976 4.865 319 1HG2 THR 105 1HG2 THR 105 -13.192 5.840 3.205 320 2HG2 THR 105 2HG2 THR 105 -12.219 6.322 4.596 321 3HG2 THR 105 3HG2 THR 105 -13.872 6.916 4.427 322 H GLY 106 HN GLY 106 -11.546 4.098 6.951 323 1HA GLY 106 1HA GLY 106 -10.647 2.433 8.172 324 2HA GLY 106 2HA GLY 106 -12.227 2.049 8.798 325 H GLN 107 HN GLN 107 -12.557 2.166 5.522 326 HA GLN 107 HA GLN 107 -13.040 -0.486 5.139 327 1HB GLN 107 2HB GLN 107 -12.399 1.792 3.390 328 2HB GLN 107 3HB GLN 107 -12.416 0.190 2.676 329 1HG GLN 107 2HG GLN 107 -14.600 0.495 2.448 330 2HG GLN 107 3HG GLN 107 -14.673 0.198 4.182 331 1HE2 GLN 107 1HE2 GLN 107 -15.934 1.595 5.158 332 2HE2 GLN 107 2HE2 GLN 107 -16.092 3.272 4.781 333 H GLU 108 HN GLU 108 -11.837 -2.204 5.139 334 HA GLU 108 HA GLU 108 -8.946 -1.949 5.076 335 1HB GLU 108 2HB GLU 108 -10.671 -4.375 5.543 336 2HB GLU 108 3HB GLU 108 -8.935 -4.309 5.736 337 1HG GLU 108 2HG GLU 108 -9.117 -3.514 7.777 338 2HG GLU 108 3HG GLU 108 -10.194 -2.224 7.253 339 H GLY 109 HN GLY 109 -7.569 -2.929 3.632 340 1HA GLY 109 1HA GLY 109 -8.216 -4.734 1.624 341 2HA GLY 109 2HA GLY 109 -8.483 -3.134 0.954 342 H PHE 110 HN PHE 110 -6.688 -4.467 -0.359 343 HA PHE 110 HA PHE 110 -4.033 -4.125 0.717 344 1HB PHE 110 2HB PHE 110 -5.277 -5.451 -1.608 345 2HB PHE 110 3HB PHE 110 -3.670 -4.808 -1.882 346 HD1 PHE 110 1HD PHE 110 -2.254 -6.639 -1.952 347 HD2 PHE 110 2HD PHE 110 -5.147 -6.355 1.158 348 HE1 PHE 110 1HE PHE 110 -1.282 -8.625 -0.873 349 HE2 PHE 110 2HE PHE 110 -4.179 -8.341 2.242 350 HZ PHE 110 HZ PHE 110 -2.244 -9.478 1.227 351 H ILE 111 HN ILE 111 -2.418 -2.776 -0.240 352 HA ILE 111 HA ILE 111 -3.328 -0.764 -2.145 353 HB ILE 111 HB ILE 111 -2.625 1.119 -0.782 354 1HG1 ILE 111 2HG1 ILE 111 -2.410 -0.571 1.666 355 2HG1 ILE 111 3HG1 ILE 111 -1.046 -0.541 0.559 356 1HG2 ILE 111 1HG2 ILE 111 -4.473 -0.462 0.964 357 2HG2 ILE 111 2HG2 ILE 111 -4.507 1.257 0.568 358 3HG2 ILE 111 3HG2 ILE 111 -4.967 0.064 -0.646 359 1HD1 ILE 111 1HD1 ILE 111 -0.441 1.149 1.922 360 2HD1 ILE 111 2HD1 ILE 111 -1.406 2.065 0.762 361 3HD1 ILE 111 3HD1 ILE 111 -2.107 1.586 2.307 362 HA PRO 112 HA PRO 112 0.676 -1.126 -3.895 363 1HB PRO 112 2HB PRO 112 0.959 1.611 -4.502 364 2HB PRO 112 3HB PRO 112 0.301 0.365 -5.561 365 1HG PRO 112 2HG PRO 112 -1.118 2.349 -3.889 366 2HG PRO 112 3HG PRO 112 -1.609 1.599 -5.404 367 1HD PRO 112 2HD PRO 112 -2.672 0.911 -3.027 368 2HD PRO 112 3HD PRO 112 -2.485 -0.237 -4.361 369 H PHE 113 HN PHE 113 2.303 -1.482 -2.477 370 HA PHE 113 HA PHE 113 2.812 -0.123 -0.137 371 1HB PHE 113 2HB PHE 113 4.782 -1.353 0.044 372 2HB PHE 113 3HB PHE 113 3.784 -2.353 -1.005 373 HD1 PHE 113 1HD PHE 113 6.963 -1.820 -0.542 374 HD2 PHE 113 2HD PHE 113 4.118 -1.029 -3.605 375 HE1 PHE 113 1HE PHE 113 8.767 -1.828 -2.215 376 HE2 PHE 113 2HE PHE 113 5.915 -1.034 -5.283 377 HZ PHE 113 HZ PHE 113 8.244 -1.435 -4.590 378 H ASN 114 HN ASN 114 3.615 0.855 -3.357 379 HA ASN 114 HA ASN 114 5.424 2.925 -2.341 380 1HB ASN 114 2HB ASN 114 5.843 3.305 -4.832 381 2HB ASN 114 3HB ASN 114 6.425 1.789 -4.153 382 1HD2 ASN 114 1HD2 ASN 114 6.410 1.187 -6.449 383 2HD2 ASN 114 2HD2 ASN 114 4.949 0.558 -7.122 384 H PHE 115 HN PHE 115 2.558 3.065 -1.914 385 HA PHE 115 HA PHE 115 1.929 5.454 -3.525 386 1HB PHE 115 2HB PHE 115 0.450 3.082 -3.210 387 2HB PHE 115 3HB PHE 115 -0.397 4.305 -2.278 388 HD1 PHE 115 1HD PHE 115 -2.237 4.925 -3.472 389 HD2 PHE 115 2HD PHE 115 1.488 4.545 -5.484 390 HE1 PHE 115 1HE PHE 115 -3.262 5.803 -5.515 391 HE2 PHE 115 2HE PHE 115 0.469 5.428 -7.543 392 HZ PHE 115 HZ PHE 115 -1.912 6.060 -7.562 393 H VAL 116 HN VAL 116 2.416 4.219 -0.351 394 HA VAL 116 HA VAL 116 1.276 6.697 0.759 395 HB VAL 116 HB VAL 116 0.957 5.430 2.883 396 1HG1 VAL 116 1HG1 VAL 116 -0.692 5.736 0.801 397 2HG1 VAL 116 2HG1 VAL 116 -0.659 3.974 0.893 398 3HG1 VAL 116 3HG1 VAL 116 -1.159 4.922 2.294 399 1HG2 VAL 116 1HG2 VAL 116 1.758 3.131 1.119 400 2HG2 VAL 116 2HG2 VAL 116 2.408 3.579 2.697 401 3HG2 VAL 116 3HG2 VAL 116 0.782 2.908 2.569 402 H ALA 117 HN ALA 117 2.271 7.698 2.470 403 HA ALA 117 HA ALA 117 4.971 6.830 3.209 404 1HB ALA 117 1HB ALA 117 5.624 8.399 1.652 405 2HB ALA 117 2HB ALA 117 4.201 9.408 1.913 406 3HB ALA 117 3HB ALA 117 5.506 9.400 3.099 407 H LYS 118 HN LYS 118 5.495 7.284 5.337 408 HA LYS 118 HA LYS 118 3.654 7.372 7.291 409 1HB LYS 118 2HB LYS 118 6.351 8.733 7.373 410 2HB LYS 118 3HB LYS 118 5.376 8.362 8.787 411 1HG LYS 118 2HG LYS 118 6.690 6.435 6.895 412 2HG LYS 118 3HG LYS 118 7.010 6.667 8.616 413 1HD LYS 118 2HD LYS 118 4.744 5.866 9.125 414 2HD LYS 118 3HD LYS 118 4.463 5.599 7.404 415 1HE LYS 118 2HE LYS 118 5.074 3.531 8.613 416 2HE LYS 118 3HE LYS 118 6.214 3.940 7.331 417 1HZ LYS 118 1HZ LYS 118 7.321 3.239 9.381 418 2HZ LYS 118 2HZ LYS 118 6.614 4.529 10.215 419 3HZ LYS 118 3HZ LYS 118 7.719 4.831 8.971 420 H ALA 119 HN ALA 119 2.433 8.795 8.422 421 HA ALA 119 HA ALA 119 1.742 11.264 7.177 422 1HB ALA 119 1HB ALA 119 0.857 9.826 9.634 423 2HB ALA 119 2HB ALA 119 0.485 11.541 9.485 424 3HB ALA 119 3HB ALA 119 -0.089 10.411 8.260 425 H ASN 120 HN ASN 120 4.330 11.634 7.483 426 HA ASN 120 HA ASN 120 4.583 13.451 9.790 427 1HB ASN 120 2HB ASN 120 6.824 11.962 8.408 428 2HB ASN 120 3HB ASN 120 6.968 12.991 9.830 429 1HD2 ASN 120 1HD2 ASN 120 7.275 9.987 9.091 430 2HD2 ASN 120 2HD2 ASN 120 6.531 9.193 10.433 Start of MODEL 7 1 H ASN 64 HN ASN 64 1.249 2.809 12.837 2 HA ASN 64 HA ASN 64 3.434 2.131 11.149 3 1HB ASN 64 2HB ASN 64 1.357 0.037 11.705 4 2HB ASN 64 3HB ASN 64 2.061 0.156 10.099 5 1HD2 ASN 64 1HD2 ASN 64 2.273 -2.034 11.907 6 2HD2 ASN 64 2HD2 ASN 64 3.951 -2.243 12.260 7 H LEU 65 HN LEU 65 1.287 4.133 11.596 8 HA LEU 65 HA LEU 65 -0.454 3.825 9.333 9 1HB LEU 65 2HB LEU 65 -1.444 4.890 11.150 10 2HB LEU 65 3HB LEU 65 -0.111 5.993 11.372 11 HG LEU 65 HG LEU 65 -0.720 7.096 9.283 12 1HD1 LEU 65 1HD1 LEU 65 -1.957 6.040 7.788 13 2HD1 LEU 65 2HD1 LEU 65 -2.298 4.756 8.951 14 3HD1 LEU 65 3HD1 LEU 65 -3.340 6.176 8.876 15 1HD2 LEU 65 1HD2 LEU 65 -2.810 8.139 10.072 16 2HD2 LEU 65 2HD2 LEU 65 -2.970 6.856 11.271 17 3HD2 LEU 65 3HD2 LEU 65 -1.613 7.979 11.357 18 H VAL 66 HN VAL 66 -0.477 4.902 7.518 19 HA VAL 66 HA VAL 66 1.857 6.559 6.827 20 HB VAL 66 HB VAL 66 1.467 5.626 4.498 21 1HG1 VAL 66 1HG1 VAL 66 3.462 5.067 5.627 22 2HG1 VAL 66 2HG1 VAL 66 2.609 3.995 6.738 23 3HG1 VAL 66 3HG1 VAL 66 2.792 3.544 5.043 24 1HG2 VAL 66 1HG2 VAL 66 -0.638 4.557 4.757 25 2HG2 VAL 66 2HG2 VAL 66 0.561 3.292 4.490 26 3HG2 VAL 66 3HG2 VAL 66 -0.047 3.602 6.116 27 H ILE 67 HN ILE 67 1.324 7.487 4.476 28 HA ILE 67 HA ILE 67 -1.398 8.433 4.301 29 HB ILE 67 HB ILE 67 0.711 10.083 5.385 30 1HG1 ILE 67 2HG1 ILE 67 -2.235 10.351 4.884 31 2HG1 ILE 67 3HG1 ILE 67 -1.441 9.908 6.367 32 1HG2 ILE 67 1HG2 ILE 67 -0.622 11.101 2.875 33 2HG2 ILE 67 2HG2 ILE 67 0.216 12.118 4.044 34 3HG2 ILE 67 3HG2 ILE 67 1.108 10.890 3.146 35 1HD1 ILE 67 1HD1 ILE 67 -2.303 12.439 5.557 36 2HD1 ILE 67 2HD1 ILE 67 -1.396 12.021 7.012 37 3HD1 ILE 67 3HD1 ILE 67 -0.539 12.487 5.542 38 H ALA 68 HN ALA 68 -2.042 8.401 2.299 39 HA ALA 68 HA ALA 68 -0.423 7.570 0.179 40 1HB ALA 68 1HB ALA 68 -3.152 7.975 0.598 41 2HB ALA 68 2HB ALA 68 -2.734 8.974 -0.796 42 3HB ALA 68 3HB ALA 68 -2.378 7.246 -0.810 43 H LEU 69 HN LEU 69 0.219 8.608 -1.735 44 HA LEU 69 HA LEU 69 0.624 11.518 -1.484 45 1HB LEU 69 2HB LEU 69 2.464 9.398 -2.582 46 2HB LEU 69 3HB LEU 69 2.726 11.118 -2.819 47 HG LEU 69 HG LEU 69 2.647 9.726 -0.137 48 1HD1 LEU 69 1HD1 LEU 69 4.886 10.526 -1.955 49 2HD1 LEU 69 2HD1 LEU 69 5.115 10.572 -0.208 50 3HD1 LEU 69 3HD1 LEU 69 4.686 9.056 -0.999 51 1HD2 LEU 69 1HD2 LEU 69 3.214 12.583 -0.916 52 2HD2 LEU 69 2HD2 LEU 69 1.869 11.991 0.057 53 3HD2 LEU 69 3HD2 LEU 69 3.516 11.904 0.682 54 H HIS 70 HN HIS 70 -1.220 9.438 -3.043 55 HA HIS 70 HA HIS 70 -1.629 11.123 -5.305 56 1HB HIS 70 2HB HIS 70 -1.226 8.646 -6.609 57 2HB HIS 70 3HB HIS 70 -0.309 10.131 -6.819 58 HD1 HIS 70 1HD HIS 70 1.977 9.106 -7.093 59 HD2 HIS 70 2HD HIS 70 0.059 7.823 -3.643 60 HE1 HIS 70 1HE HIS 70 3.721 7.865 -5.781 61 HE2 HIS 70 2HE HIS 70 2.582 7.263 -3.620 62 H SER 71 HN SER 71 -3.626 10.772 -6.257 63 HA SER 71 HA SER 71 -5.590 9.472 -4.760 64 1HB SER 71 2HB SER 71 -6.088 9.763 -7.670 65 2HB SER 71 3HB SER 71 -7.073 10.274 -6.301 66 HG SER 71 HG SER 71 -5.374 11.920 -5.983 67 H TYR 72 HN TYR 72 -6.093 7.396 -4.545 68 HA TYR 72 HA TYR 72 -4.968 5.503 -6.488 69 1HB TYR 72 2HB TYR 72 -4.404 5.243 -4.054 70 2HB TYR 72 3HB TYR 72 -6.092 4.853 -3.769 71 HD1 TYR 72 1HD TYR 72 -3.732 3.814 -6.476 72 HD2 TYR 72 2HD TYR 72 -6.243 2.608 -3.263 73 HE1 TYR 72 1HE TYR 72 -3.304 1.460 -7.031 74 HE2 TYR 72 2HE TYR 72 -5.809 0.252 -3.803 75 HH TYR 72 HH TYR 72 -5.128 -1.089 -5.736 76 H GLU 73 HN GLU 73 -6.123 3.863 -7.400 77 HA GLU 73 HA GLU 73 -9.012 3.805 -7.040 78 1HB GLU 73 2HB GLU 73 -7.647 4.840 -9.293 79 2HB GLU 73 3HB GLU 73 -8.467 3.370 -9.776 80 1HG GLU 73 2HG GLU 73 -10.571 4.229 -9.122 81 2HG GLU 73 3HG GLU 73 -9.816 5.585 -8.281 82 HA PRO 74 HA PRO 74 -7.434 -0.411 -6.224 83 1HB PRO 74 2HB PRO 74 -10.245 -1.091 -6.271 84 2HB PRO 74 3HB PRO 74 -9.136 -1.054 -4.901 85 1HG PRO 74 2HG PRO 74 -11.058 0.980 -5.795 86 2HG PRO 74 3HG PRO 74 -10.306 0.761 -4.207 87 1HD PRO 74 2HD PRO 74 -9.635 2.810 -5.845 88 2HD PRO 74 3HD PRO 74 -8.448 2.017 -4.781 89 H SER 75 HN SER 75 -6.890 -1.909 -7.646 90 HA SER 75 HA SER 75 -8.555 -2.296 -10.039 91 1HB SER 75 2HB SER 75 -5.534 -2.390 -10.081 92 2HB SER 75 3HB SER 75 -6.636 -2.402 -11.459 93 HG SER 75 HG SER 75 -6.030 -0.335 -11.358 94 H HIS 76 HN HIS 76 -6.054 -3.653 -7.920 95 HA HIS 76 HA HIS 76 -6.436 -6.323 -8.932 96 1HB HIS 76 2HB HIS 76 -4.678 -5.025 -6.918 97 2HB HIS 76 3HB HIS 76 -5.030 -6.731 -6.674 98 HD1 HIS 76 1HD HIS 76 -4.239 -8.374 -8.588 99 HD2 HIS 76 2HD HIS 76 -2.880 -4.463 -8.928 100 HE1 HIS 76 1HE HIS 76 -2.359 -8.459 -10.255 101 HE2 HIS 76 2HE HIS 76 -1.492 -6.096 -10.376 102 H ASP 77 HN ASP 77 -7.126 -8.126 -7.605 103 HA ASP 77 HA ASP 77 -9.592 -7.628 -6.317 104 1HB ASP 77 2HB ASP 77 -9.076 -9.733 -7.504 105 2HB ASP 77 3HB ASP 77 -7.899 -10.136 -6.257 106 H GLY 78 HN GLY 78 -10.070 -7.191 -4.259 107 1HA GLY 78 1HA GLY 78 -9.879 -7.147 -1.949 108 2HA GLY 78 2HA GLY 78 -8.398 -8.080 -2.088 109 H ASP 79 HN ASP 79 -8.885 -5.080 -3.827 110 HA ASP 79 HA ASP 79 -6.663 -3.929 -2.315 111 1HB ASP 79 2HB ASP 79 -7.942 -3.159 -4.939 112 2HB ASP 79 3HB ASP 79 -6.700 -2.191 -4.149 113 H LEU 80 HN LEU 80 -6.739 -1.720 -1.625 114 HA LEU 80 HA LEU 80 -9.453 -0.848 -0.890 115 1HB LEU 80 2HB LEU 80 -8.545 -1.257 1.167 116 2HB LEU 80 3HB LEU 80 -6.904 -0.995 0.619 117 HG LEU 80 HG LEU 80 -7.563 1.507 0.553 118 1HD1 LEU 80 1HD1 LEU 80 -9.258 1.751 2.603 119 2HD1 LEU 80 2HD1 LEU 80 -9.787 1.738 0.920 120 3HD1 LEU 80 3HD1 LEU 80 -9.892 0.267 1.888 121 1HD2 LEU 80 1HD2 LEU 80 -7.359 1.402 3.228 122 2HD2 LEU 80 2HD2 LEU 80 -6.840 -0.231 2.814 123 3HD2 LEU 80 3HD2 LEU 80 -5.997 1.159 2.135 124 H GLY 81 HN GLY 81 -10.090 1.118 -1.554 125 1HA GLY 81 1HA GLY 81 -8.171 2.708 -3.076 126 2HA GLY 81 2HA GLY 81 -9.912 2.900 -3.102 127 H PHE 82 HN PHE 82 -7.602 4.765 -2.634 128 HA PHE 82 HA PHE 82 -8.800 6.142 -0.371 129 1HB PHE 82 2HB PHE 82 -6.341 6.678 0.366 130 2HB PHE 82 3HB PHE 82 -7.126 5.198 0.899 131 HD1 PHE 82 1HD PHE 82 -4.244 6.561 -0.586 132 HD2 PHE 82 2HD PHE 82 -6.726 3.108 -0.620 133 HE1 PHE 82 1HE PHE 82 -2.384 5.239 -1.527 134 HE2 PHE 82 2HE PHE 82 -4.880 1.789 -1.568 135 HZ PHE 82 HZ PHE 82 -2.708 2.852 -2.016 136 H GLU 83 HN GLU 83 -7.547 8.341 -0.099 137 HA GLU 83 HA GLU 83 -7.319 9.457 -2.814 138 1HB GLU 83 2HB GLU 83 -8.657 10.311 -0.377 139 2HB GLU 83 3HB GLU 83 -7.623 11.568 -1.033 140 1HG GLU 83 2HG GLU 83 -8.951 10.597 -3.245 141 2HG GLU 83 3HG GLU 83 -10.171 10.571 -1.973 142 H LYS 84 HN LYS 84 -5.944 11.544 -2.824 143 HA LYS 84 HA LYS 84 -3.302 10.822 -2.003 144 1HB LYS 84 2HB LYS 84 -3.323 12.018 -3.996 145 2HB LYS 84 3HB LYS 84 -4.525 13.157 -3.421 146 1HG LYS 84 2HG LYS 84 -2.599 13.863 -1.773 147 2HG LYS 84 3HG LYS 84 -1.577 13.127 -3.005 148 1HD LYS 84 2HD LYS 84 -3.680 15.146 -3.707 149 2HD LYS 84 3HD LYS 84 -2.069 15.640 -3.184 150 1HE LYS 84 2HE LYS 84 -1.254 13.991 -5.017 151 2HE LYS 84 3HE LYS 84 -2.890 14.157 -5.650 152 1HZ LYS 84 1HZ LYS 84 -1.270 16.543 -5.033 153 2HZ LYS 84 2HZ LYS 84 -2.579 16.394 -6.093 154 3HZ LYS 84 3HZ LYS 84 -1.079 15.732 -6.506 155 H GLY 85 HN GLY 85 -2.314 11.281 -0.151 156 1HA GLY 85 1HA GLY 85 -1.766 12.508 1.775 157 2HA GLY 85 2HA GLY 85 -3.146 13.564 1.466 158 H GLU 86 HN GLU 86 -4.649 10.858 1.029 159 HA GLU 86 HA GLU 86 -6.021 10.749 3.428 160 1HB GLU 86 2HB GLU 86 -6.293 9.562 1.002 161 2HB GLU 86 3HB GLU 86 -5.715 8.205 1.947 162 1HG GLU 86 2HG GLU 86 -8.324 9.121 1.691 163 2HG GLU 86 3HG GLU 86 -7.726 7.855 2.739 164 H GLN 87 HN GLN 87 -6.087 8.848 4.923 165 HA GLN 87 HA GLN 87 -3.364 7.864 5.432 166 1HB GLN 87 2HB GLN 87 -5.339 8.416 7.626 167 2HB GLN 87 3HB GLN 87 -3.611 8.141 7.757 168 1HG GLN 87 2HG GLN 87 -3.083 10.264 7.283 169 2HG GLN 87 3HG GLN 87 -4.392 10.441 6.120 170 1HE2 GLN 87 1HE2 GLN 87 -4.587 9.450 9.495 171 2HE2 GLN 87 2HE2 GLN 87 -5.555 10.781 10.021 172 H LEU 88 HN LEU 88 -3.117 5.857 6.226 173 HA LEU 88 HA LEU 88 -5.433 4.124 6.588 174 1HB LEU 88 2HB LEU 88 -3.302 3.022 4.853 175 2HB LEU 88 3HB LEU 88 -5.012 2.655 4.895 176 HG LEU 88 HG LEU 88 -4.428 5.352 3.914 177 1HD1 LEU 88 1HD1 LEU 88 -2.554 3.610 3.126 178 2HD1 LEU 88 2HD1 LEU 88 -3.800 3.272 1.924 179 3HD1 LEU 88 3HD1 LEU 88 -3.168 4.910 2.100 180 1HD2 LEU 88 1HD2 LEU 88 -6.628 4.196 3.864 181 2HD2 LEU 88 2HD2 LEU 88 -6.076 4.749 2.281 182 3HD2 LEU 88 3HD2 LEU 88 -5.940 3.041 2.715 183 H ARG 89 HN ARG 89 -5.095 2.796 8.212 184 HA ARG 89 HA ARG 89 -2.521 2.716 9.470 185 1HB ARG 89 2HB ARG 89 -4.358 2.855 10.948 186 2HB ARG 89 3HB ARG 89 -5.224 1.564 10.126 187 1HG ARG 89 2HG ARG 89 -3.636 -0.049 10.914 188 2HG ARG 89 3HG ARG 89 -2.671 1.223 11.646 189 1HD ARG 89 2HD ARG 89 -4.796 1.811 12.939 190 2HD ARG 89 3HD ARG 89 -5.370 0.224 12.459 191 HE ARG 89 HE ARG 89 -2.767 0.292 13.725 192 1HH1 ARG 89 2HH1 ARG 89 -6.208 -0.124 14.161 193 2HH1 ARG 89 1HH1 ARG 89 -6.040 -0.989 15.651 194 1HH2 ARG 89 2HH2 ARG 89 -2.549 -0.844 15.687 195 2HH2 ARG 89 1HH2 ARG 89 -3.965 -1.398 16.518 196 H ILE 90 HN ILE 90 -1.079 1.537 8.421 197 HA ILE 90 HA ILE 90 -1.570 -0.643 6.770 198 HB ILE 90 HB ILE 90 1.001 -0.108 8.260 199 1HG1 ILE 90 2HG1 ILE 90 0.135 1.862 7.018 200 2HG1 ILE 90 3HG1 ILE 90 1.659 1.272 6.390 201 1HG2 ILE 90 1HG2 ILE 90 1.905 -1.762 7.083 202 2HG2 ILE 90 2HG2 ILE 90 0.278 -2.201 6.565 203 3HG2 ILE 90 3HG2 ILE 90 1.252 -1.113 5.577 204 1HD1 ILE 90 1HD1 ILE 90 -0.406 -0.034 4.976 205 2HD1 ILE 90 2HD1 ILE 90 -0.794 1.685 5.029 206 3HD1 ILE 90 3HD1 ILE 90 0.756 1.151 4.380 207 H LEU 91 HN LEU 91 -2.390 -2.482 7.244 208 HA LEU 91 HA LEU 91 -2.268 -3.650 9.876 209 1HB LEU 91 2HB LEU 91 -3.278 -4.871 7.307 210 2HB LEU 91 3HB LEU 91 -3.698 -5.344 8.944 211 HG LEU 91 HG LEU 91 -4.420 -2.731 7.618 212 1HD1 LEU 91 1HD1 LEU 91 -6.778 -3.701 8.000 213 2HD1 LEU 91 2HD1 LEU 91 -5.827 -4.234 6.612 214 3HD1 LEU 91 3HD1 LEU 91 -5.941 -5.257 8.045 215 1HD2 LEU 91 1HD2 LEU 91 -4.542 -3.664 10.398 216 2HD2 LEU 91 2HD2 LEU 91 -4.506 -2.025 9.749 217 3HD2 LEU 91 3HD2 LEU 91 -6.023 -2.924 9.791 218 H GLU 92 HN GLU 92 -1.083 -4.335 6.639 219 HA GLU 92 HA GLU 92 1.211 -5.708 7.758 220 1HB GLU 92 2HB GLU 92 -0.962 -7.138 6.614 221 2HB GLU 92 3HB GLU 92 0.401 -7.241 5.504 222 1HG GLU 92 2HG GLU 92 1.292 -8.808 6.774 223 2HG GLU 92 3HG GLU 92 1.444 -7.618 8.071 224 H GLN 93 HN GLN 93 3.025 -5.306 6.649 225 HA GLN 93 HA GLN 93 2.728 -3.904 4.092 226 1HB GLN 93 2HB GLN 93 5.024 -2.895 4.878 227 2HB GLN 93 3HB GLN 93 3.502 -2.214 5.420 228 1HG GLN 93 2HG GLN 93 3.660 -3.624 7.428 229 2HG GLN 93 3HG GLN 93 5.237 -4.128 6.873 230 1HE2 GLN 93 1HE2 GLN 93 3.684 -0.955 6.893 231 2HE2 GLN 93 2HE2 GLN 93 4.903 -0.167 7.829 232 H SER 94 HN SER 94 3.014 -6.699 4.343 233 HA SER 94 HA SER 94 5.779 -7.226 3.562 234 1HB SER 94 2HB SER 94 4.281 -9.597 3.374 235 2HB SER 94 3HB SER 94 5.399 -9.147 4.659 236 HG SER 94 HG SER 94 2.608 -8.643 4.555 237 H GLY 95 HN GLY 95 6.339 -7.244 1.493 238 1HA GLY 95 1HA GLY 95 6.142 -7.868 -0.777 239 2HA GLY 95 2HA GLY 95 4.431 -8.158 -0.519 240 H GLU 96 HN GLU 96 5.507 -6.819 -2.698 241 HA GLU 96 HA GLU 96 5.650 -4.084 -2.659 242 1HB GLU 96 2HB GLU 96 6.075 -4.831 -4.747 243 2HB GLU 96 3HB GLU 96 4.902 -6.133 -4.624 244 1HG GLU 96 2HG GLU 96 3.122 -4.671 -5.067 245 2HG GLU 96 3HG GLU 96 4.179 -3.263 -5.010 246 H TRP 97 HN TRP 97 2.872 -6.028 -2.004 247 HA TRP 97 HA TRP 97 1.166 -3.636 -2.143 248 1HB TRP 97 2HB TRP 97 0.570 -6.555 -2.517 249 2HB TRP 97 3HB TRP 97 -0.705 -5.425 -2.072 250 HD1 TRP 97 1HD TRP 97 1.638 -6.304 -4.967 251 HE1 TRP 97 1HE TRP 97 0.790 -5.138 -7.100 252 HE3 TRP 97 3HE TRP 97 -2.068 -3.449 -2.914 253 HZ2 TRP 97 2HZ TRP 97 -1.187 -3.251 -7.813 254 HZ3 TRP 97 3HZ TRP 97 -3.389 -1.991 -4.382 255 HH2 TRP 97 2HH TRP 97 -2.953 -1.891 -6.783 256 H TRP 98 HN TRP 98 0.977 -2.723 -0.208 257 HA TRP 98 HA TRP 98 1.146 -4.344 2.203 258 1HB TRP 98 2HB TRP 98 1.119 -1.367 1.751 259 2HB TRP 98 3HB TRP 98 1.084 -2.098 3.347 260 HD1 TRP 98 1HD TRP 98 3.250 -4.234 1.363 261 HE1 TRP 98 1HE TRP 98 5.731 -3.654 1.747 262 HE3 TRP 98 3HE TRP 98 2.655 0.270 3.637 263 HZ2 TRP 98 2HZ TRP 98 7.237 -1.525 2.861 264 HZ3 TRP 98 3HZ TRP 98 4.648 1.540 4.329 265 HH2 TRP 98 2HH TRP 98 6.896 0.652 3.953 266 H LYS 99 HN LYS 99 -0.457 -4.709 3.605 267 HA LYS 99 HA LYS 99 -3.167 -4.094 2.792 268 1HB LYS 99 2HB LYS 99 -2.700 -6.321 3.673 269 2HB LYS 99 3HB LYS 99 -2.057 -5.627 5.150 270 1HG LYS 99 2HG LYS 99 -4.451 -6.597 5.142 271 2HG LYS 99 3HG LYS 99 -4.138 -5.065 5.963 272 1HD LYS 99 2HD LYS 99 -5.108 -3.816 4.278 273 2HD LYS 99 3HD LYS 99 -5.023 -5.135 3.108 274 1HE LYS 99 2HE LYS 99 -6.564 -5.977 5.363 275 2HE LYS 99 3HE LYS 99 -7.174 -4.425 4.795 276 1HZ LYS 99 1HZ LYS 99 -8.295 -5.660 3.330 277 2HZ LYS 99 2HZ LYS 99 -7.315 -7.020 3.553 278 3HZ LYS 99 3HZ LYS 99 -6.827 -5.791 2.499 279 H ALA 100 HN ALA 100 -4.033 -2.174 3.341 280 HA ALA 100 HA ALA 100 -3.221 -1.012 5.926 281 1HB ALA 100 1HB ALA 100 -3.083 1.084 5.052 282 2HB ALA 100 2HB ALA 100 -2.621 0.147 3.627 283 3HB ALA 100 3HB ALA 100 -4.271 0.761 3.786 284 H GLN 101 HN GLN 101 -4.749 -0.121 7.234 285 HA GLN 101 HA GLN 101 -7.534 -0.616 6.428 286 1HB GLN 101 2HB GLN 101 -7.005 -1.938 8.362 287 2HB GLN 101 3HB GLN 101 -6.279 -0.570 9.182 288 1HG GLN 101 2HG GLN 101 -8.564 0.481 9.020 289 2HG GLN 101 3HG GLN 101 -9.172 -1.103 8.603 290 1HE2 GLN 101 1HE2 GLN 101 -7.558 0.789 11.072 291 2HE2 GLN 101 2HE2 GLN 101 -7.968 -0.235 12.401 292 H SER 102 HN SER 102 -8.404 1.200 5.761 293 HA SER 102 HA SER 102 -7.440 3.744 6.053 294 1HB SER 102 2HB SER 102 -9.857 2.478 5.129 295 2HB SER 102 3HB SER 102 -10.217 3.980 5.942 296 HG SER 102 HG SER 102 -8.609 4.966 4.573 297 H LEU 103 HN LEU 103 -8.573 5.572 7.234 298 HA LEU 103 HA LEU 103 -9.273 4.686 9.954 299 1HB LEU 103 2HB LEU 103 -7.390 6.842 9.086 300 2HB LEU 103 3HB LEU 103 -8.093 6.813 10.689 301 HG LEU 103 HG LEU 103 -7.171 4.258 10.475 302 1HD1 LEU 103 1HD1 LEU 103 -4.809 4.560 9.627 303 2HD1 LEU 103 2HD1 LEU 103 -6.092 4.483 8.418 304 3HD1 LEU 103 3HD1 LEU 103 -5.389 6.038 8.859 305 1HD2 LEU 103 1HD2 LEU 103 -5.662 4.795 12.120 306 2HD2 LEU 103 2HD2 LEU 103 -5.282 6.369 11.412 307 3HD2 LEU 103 3HD2 LEU 103 -6.816 6.126 12.250 308 H THR 104 HN THR 104 -9.945 6.808 7.332 309 HA THR 104 HA THR 104 -11.749 8.481 8.846 310 HB THR 104 HB THR 104 -11.675 8.302 5.850 311 HG1 THR 104 1HG THR 104 -9.548 8.501 6.202 312 1HG2 THR 104 1HG2 THR 104 -12.176 10.449 7.850 313 2HG2 THR 104 2HG2 THR 104 -13.229 9.858 6.563 314 3HG2 THR 104 3HG2 THR 104 -11.797 10.811 6.167 315 H THR 105 HN THR 105 -11.805 5.866 6.564 316 HA THR 105 HA THR 105 -14.698 5.458 6.908 317 HB THR 105 HB THR 105 -14.743 4.665 4.774 318 HG1 THR 105 1HG THR 105 -12.006 3.997 4.905 319 1HG2 THR 105 1HG2 THR 105 -13.255 5.867 3.261 320 2HG2 THR 105 2HG2 THR 105 -12.263 6.335 4.643 321 3HG2 THR 105 3HG2 THR 105 -13.922 6.921 4.509 322 H GLY 106 HN GLY 106 -11.560 4.078 6.966 323 1HA GLY 106 1HA GLY 106 -10.647 2.414 8.177 324 2HA GLY 106 2HA GLY 106 -12.222 2.016 8.806 325 H GLN 107 HN GLN 107 -12.545 2.155 5.523 326 HA GLN 107 HA GLN 107 -13.028 -0.494 5.123 327 1HB GLN 107 2HB GLN 107 -12.365 1.787 3.382 328 2HB GLN 107 3HB GLN 107 -12.394 0.186 2.667 329 1HG GLN 107 2HG GLN 107 -14.574 0.529 2.423 330 2HG GLN 107 3HG GLN 107 -14.657 0.199 4.153 331 1HE2 GLN 107 1HE2 GLN 107 -14.022 2.880 1.916 332 2HE2 GLN 107 2HE2 GLN 107 -14.887 4.067 2.823 333 H GLU 108 HN GLU 108 -11.835 -2.224 5.080 334 HA GLU 108 HA GLU 108 -8.940 -1.970 5.041 335 1HB GLU 108 2HB GLU 108 -10.664 -4.402 5.488 336 2HB GLU 108 3HB GLU 108 -8.931 -4.324 5.701 337 1HG GLU 108 2HG GLU 108 -9.139 -3.535 7.741 338 2HG GLU 108 3HG GLU 108 -10.226 -2.256 7.211 339 H GLY 109 HN GLY 109 -7.567 -2.929 3.584 340 1HA GLY 109 1HA GLY 109 -8.219 -4.731 1.572 341 2HA GLY 109 2HA GLY 109 -8.477 -3.125 0.909 342 H PHE 110 HN PHE 110 -6.700 -4.400 -0.440 343 HA PHE 110 HA PHE 110 -4.039 -4.089 0.651 344 1HB PHE 110 2HB PHE 110 -5.283 -5.446 -1.649 345 2HB PHE 110 3HB PHE 110 -3.690 -4.782 -1.957 346 HD1 PHE 110 1HD PHE 110 -5.064 -6.289 1.146 347 HD2 PHE 110 2HD PHE 110 -2.278 -6.622 -2.054 348 HE1 PHE 110 1HE PHE 110 -4.050 -8.248 2.237 349 HE2 PHE 110 2HE PHE 110 -1.259 -8.580 -0.969 350 HZ PHE 110 HZ PHE 110 -2.145 -9.396 1.179 351 H ILE 111 HN ILE 111 -2.469 -2.670 -0.158 352 HA ILE 111 HA ILE 111 -3.347 -0.688 -2.125 353 HB ILE 111 HB ILE 111 -2.638 1.190 -0.767 354 1HG1 ILE 111 2HG1 ILE 111 -2.385 -0.478 1.689 355 2HG1 ILE 111 3HG1 ILE 111 -1.045 -0.486 0.554 356 1HG2 ILE 111 1HG2 ILE 111 -4.503 1.330 0.593 357 2HG2 ILE 111 2HG2 ILE 111 -4.973 0.103 -0.583 358 3HG2 ILE 111 3HG2 ILE 111 -4.443 -0.378 1.029 359 1HD1 ILE 111 1HD1 ILE 111 -1.595 2.181 0.811 360 2HD1 ILE 111 2HD1 ILE 111 -1.870 1.553 2.436 361 3HD1 ILE 111 3HD1 ILE 111 -0.315 1.296 1.643 362 HA PRO 112 HA PRO 112 0.651 -1.111 -3.885 363 1HB PRO 112 2HB PRO 112 0.947 1.611 -4.543 364 2HB PRO 112 3HB PRO 112 0.269 0.352 -5.576 365 1HG PRO 112 2HG PRO 112 -1.121 2.373 -3.918 366 2HG PRO 112 3HG PRO 112 -1.627 1.612 -5.425 367 1HD PRO 112 2HD PRO 112 -2.687 0.953 -3.041 368 2HD PRO 112 3HD PRO 112 -2.505 -0.213 -4.360 369 H PHE 113 HN PHE 113 2.274 -1.453 -2.455 370 HA PHE 113 HA PHE 113 2.794 -0.039 -0.146 371 1HB PHE 113 2HB PHE 113 4.749 -1.285 0.069 372 2HB PHE 113 3HB PHE 113 3.750 -2.299 -0.965 373 HD1 PHE 113 1HD PHE 113 4.108 -1.043 -3.590 374 HD2 PHE 113 2HD PHE 113 6.931 -1.765 -0.489 375 HE1 PHE 113 1HE PHE 113 5.918 -1.094 -5.256 376 HE2 PHE 113 2HE PHE 113 8.747 -1.819 -2.149 377 HZ PHE 113 HZ PHE 113 8.241 -1.482 -4.536 378 H ASN 114 HN ASN 114 3.604 0.844 -3.392 379 HA ASN 114 HA ASN 114 5.445 2.916 -2.445 380 1HB ASN 114 2HB ASN 114 5.843 3.244 -4.934 381 2HB ASN 114 3HB ASN 114 6.374 1.707 -4.262 382 1HD2 ASN 114 1HD2 ASN 114 6.174 1.606 -6.818 383 2HD2 ASN 114 2HD2 ASN 114 4.725 0.841 -7.364 384 H PHE 115 HN PHE 115 2.574 3.080 -1.985 385 HA PHE 115 HA PHE 115 1.947 5.460 -3.613 386 1HB PHE 115 2HB PHE 115 0.445 3.108 -3.242 387 2HB PHE 115 3HB PHE 115 -0.370 4.352 -2.309 388 HD1 PHE 115 1HD PHE 115 1.459 4.542 -5.551 389 HD2 PHE 115 2HD PHE 115 -2.227 4.967 -3.478 390 HE1 PHE 115 1HE PHE 115 0.409 5.412 -7.599 391 HE2 PHE 115 2HE PHE 115 -3.282 5.833 -5.510 392 HZ PHE 115 HZ PHE 115 -1.969 6.059 -7.584 393 H VAL 116 HN VAL 116 2.206 4.131 -0.404 394 HA VAL 116 HA VAL 116 1.227 6.675 0.700 395 HB VAL 116 HB VAL 116 0.879 5.413 2.820 396 1HG1 VAL 116 1HG1 VAL 116 -1.004 3.922 1.558 397 2HG1 VAL 116 2HG1 VAL 116 -1.153 5.642 1.917 398 3HG1 VAL 116 3HG1 VAL 116 -0.613 5.119 0.322 399 1HG2 VAL 116 1HG2 VAL 116 2.327 3.541 2.589 400 2HG2 VAL 116 2HG2 VAL 116 0.681 2.909 2.558 401 3HG2 VAL 116 3HG2 VAL 116 1.588 3.077 1.057 402 H ALA 117 HN ALA 117 2.257 7.662 2.392 403 HA ALA 117 HA ALA 117 4.935 6.722 3.123 404 1HB ALA 117 1HB ALA 117 5.839 8.319 1.837 405 2HB ALA 117 2HB ALA 117 4.286 9.118 1.591 406 3HB ALA 117 3HB ALA 117 5.236 9.462 3.037 407 H LYS 118 HN LYS 118 5.500 7.177 5.241 408 HA LYS 118 HA LYS 118 3.685 7.270 7.220 409 1HB LYS 118 2HB LYS 118 6.401 8.594 7.257 410 2HB LYS 118 3HB LYS 118 5.441 8.251 8.690 411 1HG LYS 118 2HG LYS 118 6.715 6.297 6.801 412 2HG LYS 118 3HG LYS 118 7.027 6.520 8.524 413 1HD LYS 118 2HD LYS 118 4.753 5.745 9.021 414 2HD LYS 118 3HD LYS 118 4.468 5.499 7.299 415 1HE LYS 118 2HE LYS 118 6.313 3.869 7.249 416 2HE LYS 118 3HE LYS 118 6.536 4.090 8.985 417 1HZ LYS 118 1HZ LYS 118 4.800 2.783 9.444 418 2HZ LYS 118 2HZ LYS 118 4.958 2.222 7.856 419 3HZ LYS 118 3HZ LYS 118 3.834 3.434 8.217 420 H ALA 119 HN ALA 119 2.480 8.699 8.360 421 HA ALA 119 HA ALA 119 1.808 11.183 7.137 422 1HB ALA 119 1HB ALA 119 0.932 9.745 9.598 423 2HB ALA 119 2HB ALA 119 0.576 11.465 9.456 424 3HB ALA 119 3HB ALA 119 -0.021 10.342 8.236 425 H ASN 120 HN ASN 120 4.398 11.531 7.414 426 HA ASN 120 HA ASN 120 4.820 13.119 9.850 427 1HB ASN 120 2HB ASN 120 7.245 13.004 9.205 428 2HB ASN 120 3HB ASN 120 6.516 11.443 9.571 429 1HD2 ASN 120 1HD2 ASN 120 7.779 10.149 8.365 430 2HD2 ASN 120 2HD2 ASN 120 7.907 10.237 6.645 Start of MODEL 8 1 H ASN 64 HN ASN 64 1.364 2.925 12.847 2 HA ASN 64 HA ASN 64 3.481 2.186 11.081 3 1HB ASN 64 2HB ASN 64 1.386 0.155 11.778 4 2HB ASN 64 3HB ASN 64 2.031 0.211 10.144 5 1HD2 ASN 64 1HD2 ASN 64 2.281 -1.954 11.933 6 2HD2 ASN 64 2HD2 ASN 64 3.962 -2.174 12.263 7 H LEU 65 HN LEU 65 1.299 4.204 11.587 8 HA LEU 65 HA LEU 65 -0.447 3.866 9.330 9 1HB LEU 65 2HB LEU 65 -1.463 4.921 11.133 10 2HB LEU 65 3HB LEU 65 -0.137 6.028 11.380 11 HG LEU 65 HG LEU 65 -0.730 7.151 9.296 12 1HD1 LEU 65 1HD1 LEU 65 -2.303 4.806 8.931 13 2HD1 LEU 65 2HD1 LEU 65 -3.334 6.232 8.835 14 3HD1 LEU 65 3HD1 LEU 65 -1.930 6.087 7.776 15 1HD2 LEU 65 1HD2 LEU 65 -2.979 6.872 11.278 16 2HD2 LEU 65 2HD2 LEU 65 -1.652 8.030 11.345 17 3HD2 LEU 65 3HD2 LEU 65 -2.861 8.148 10.068 18 H VAL 66 HN VAL 66 -0.470 4.928 7.503 19 HA VAL 66 HA VAL 66 1.845 6.624 6.840 20 HB VAL 66 HB VAL 66 1.513 5.677 4.510 21 1HG1 VAL 66 1HG1 VAL 66 2.620 4.009 6.748 22 2HG1 VAL 66 2HG1 VAL 66 2.916 3.681 5.040 23 3HG1 VAL 66 3HG1 VAL 66 3.487 5.187 5.761 24 1HG2 VAL 66 1HG2 VAL 66 0.651 3.334 4.482 25 2HG2 VAL 66 2HG2 VAL 66 0.032 3.609 6.110 26 3HG2 VAL 66 3HG2 VAL 66 -0.582 4.565 4.759 27 H ILE 67 HN ILE 67 1.353 7.556 4.492 28 HA ILE 67 HA ILE 67 -1.384 8.462 4.266 29 HB ILE 67 HB ILE 67 0.702 10.143 5.357 30 1HG1 ILE 67 2HG1 ILE 67 -2.248 10.366 4.849 31 2HG1 ILE 67 3HG1 ILE 67 -1.450 9.948 6.338 32 1HG2 ILE 67 1HG2 ILE 67 0.184 12.162 4.002 33 2HG2 ILE 67 2HG2 ILE 67 1.089 10.938 3.112 34 3HG2 ILE 67 3HG2 ILE 67 -0.645 11.126 2.841 35 1HD1 ILE 67 1HD1 ILE 67 -2.340 12.464 5.490 36 2HD1 ILE 67 2HD1 ILE 67 -1.453 12.067 6.963 37 3HD1 ILE 67 3HD1 ILE 67 -0.575 12.529 5.504 38 H ALA 68 HN ALA 68 -2.004 8.453 2.255 39 HA ALA 68 HA ALA 68 -0.324 7.634 0.159 40 1HB ALA 68 1HB ALA 68 -2.225 7.319 -0.957 41 2HB ALA 68 2HB ALA 68 -3.032 7.795 0.538 42 3HB ALA 68 3HB ALA 68 -2.743 8.989 -0.728 43 H LEU 69 HN LEU 69 0.321 8.675 -1.736 44 HA LEU 69 HA LEU 69 0.597 11.602 -1.514 45 1HB LEU 69 2HB LEU 69 2.527 9.545 -2.576 46 2HB LEU 69 3HB LEU 69 2.720 11.270 -2.841 47 HG LEU 69 HG LEU 69 2.703 9.903 -0.147 48 1HD1 LEU 69 1HD1 LEU 69 4.889 10.837 -1.962 49 2HD1 LEU 69 2HD1 LEU 69 5.110 10.906 -0.215 50 3HD1 LEU 69 3HD1 LEU 69 4.781 9.361 -1.000 51 1HD2 LEU 69 1HD2 LEU 69 3.095 12.788 -0.930 52 2HD2 LEU 69 2HD2 LEU 69 1.777 12.116 0.031 53 3HD2 LEU 69 3HD2 LEU 69 3.420 12.131 0.674 54 H HIS 70 HN HIS 70 -1.234 9.535 -3.019 55 HA HIS 70 HA HIS 70 -1.650 11.153 -5.320 56 1HB HIS 70 2HB HIS 70 -1.238 8.668 -6.592 57 2HB HIS 70 3HB HIS 70 -0.316 10.148 -6.816 58 HD1 HIS 70 1HD HIS 70 1.970 9.127 -7.073 59 HD2 HIS 70 2HD HIS 70 0.040 7.857 -3.625 60 HE1 HIS 70 1HE HIS 70 3.708 7.889 -5.752 61 HE2 HIS 70 2HE HIS 70 2.562 7.294 -3.591 62 H SER 71 HN SER 71 -3.653 10.777 -6.242 63 HA SER 71 HA SER 71 -5.587 9.459 -4.712 64 1HB SER 71 2HB SER 71 -6.132 9.762 -7.612 65 2HB SER 71 3HB SER 71 -7.101 10.256 -6.226 66 HG SER 71 HG SER 71 -5.488 11.746 -7.717 67 H TYR 72 HN TYR 72 -6.081 7.377 -4.507 68 HA TYR 72 HA TYR 72 -4.971 5.504 -6.482 69 1HB TYR 72 2HB TYR 72 -4.344 5.235 -4.066 70 2HB TYR 72 3HB TYR 72 -6.021 4.837 -3.736 71 HD1 TYR 72 1HD TYR 72 -6.133 2.589 -3.222 72 HD2 TYR 72 2HD TYR 72 -3.743 3.815 -6.518 73 HE1 TYR 72 1HE TYR 72 -5.706 0.236 -3.782 74 HE2 TYR 72 2HE TYR 72 -3.319 1.464 -7.092 75 HH TYR 72 HH TYR 72 -4.889 -0.891 -6.455 76 H GLU 73 HN GLU 73 -6.137 3.877 -7.396 77 HA GLU 73 HA GLU 73 -9.017 3.800 -6.961 78 1HB GLU 73 2HB GLU 73 -7.711 4.839 -9.244 79 2HB GLU 73 3HB GLU 73 -8.526 3.361 -9.710 80 1HG GLU 73 2HG GLU 73 -10.623 4.199 -9.023 81 2HG GLU 73 3HG GLU 73 -9.871 5.557 -8.186 82 HA PRO 74 HA PRO 74 -7.412 -0.411 -6.185 83 1HB PRO 74 2HB PRO 74 -10.216 -1.104 -6.125 84 2HB PRO 74 3HB PRO 74 -9.064 -1.043 -4.792 85 1HG PRO 74 2HG PRO 74 -11.026 0.969 -5.655 86 2HG PRO 74 3HG PRO 74 -10.235 0.767 -4.084 87 1HD PRO 74 2HD PRO 74 -9.617 2.806 -5.753 88 2HD PRO 74 3HD PRO 74 -8.399 2.029 -4.715 89 H SER 75 HN SER 75 -6.757 -1.665 -7.775 90 HA SER 75 HA SER 75 -8.560 -2.140 -10.056 91 1HB SER 75 2HB SER 75 -5.964 -2.695 -10.941 92 2HB SER 75 3HB SER 75 -6.937 -1.284 -11.354 93 HG SER 75 HG SER 75 -5.141 -1.508 -9.167 94 H HIS 76 HN HIS 76 -6.040 -3.488 -7.974 95 HA HIS 76 HA HIS 76 -6.389 -6.157 -9.004 96 1HB HIS 76 2HB HIS 76 -4.660 -4.861 -6.952 97 2HB HIS 76 3HB HIS 76 -4.960 -6.587 -6.785 98 HD1 HIS 76 1HD HIS 76 -3.433 -8.059 -8.065 99 HD2 HIS 76 2HD HIS 76 -3.559 -4.213 -9.632 100 HE1 HIS 76 1HE HIS 76 -1.719 -8.026 -9.905 101 HE2 HIS 76 2HE HIS 76 -1.744 -5.661 -10.771 102 H ASP 77 HN ASP 77 -7.018 -7.979 -7.635 103 HA ASP 77 HA ASP 77 -9.502 -7.515 -6.357 104 1HB ASP 77 2HB ASP 77 -8.473 -9.668 -7.524 105 2HB ASP 77 3HB ASP 77 -8.006 -10.050 -5.869 106 H GLY 78 HN GLY 78 -10.089 -7.568 -4.204 107 1HA GLY 78 1HA GLY 78 -9.852 -7.271 -1.938 108 2HA GLY 78 2HA GLY 78 -8.412 -8.267 -2.064 109 H ASP 79 HN ASP 79 -9.046 -5.109 -3.552 110 HA ASP 79 HA ASP 79 -6.704 -4.085 -2.098 111 1HB ASP 79 2HB ASP 79 -7.873 -3.277 -4.761 112 2HB ASP 79 3HB ASP 79 -6.597 -2.377 -3.944 113 H LEU 80 HN LEU 80 -6.727 -1.895 -1.395 114 HA LEU 80 HA LEU 80 -9.424 -0.926 -0.730 115 1HB LEU 80 2HB LEU 80 -8.475 -1.357 1.325 116 2HB LEU 80 3HB LEU 80 -6.853 -1.002 0.776 117 HG LEU 80 HG LEU 80 -7.513 1.433 0.751 118 1HD1 LEU 80 1HD1 LEU 80 -9.760 1.693 0.804 119 2HD1 LEU 80 2HD1 LEU 80 -10.019 0.222 1.742 120 3HD1 LEU 80 3HD1 LEU 80 -9.478 1.697 2.547 121 1HD2 LEU 80 1HD2 LEU 80 -7.261 1.682 3.175 122 2HD2 LEU 80 2HD2 LEU 80 -7.607 -0.034 3.381 123 3HD2 LEU 80 3HD2 LEU 80 -6.152 0.475 2.524 124 H GLY 81 HN GLY 81 -10.012 1.059 -1.404 125 1HA GLY 81 1HA GLY 81 -8.048 2.568 -2.960 126 2HA GLY 81 2HA GLY 81 -9.786 2.780 -3.024 127 H PHE 82 HN PHE 82 -7.531 4.677 -2.609 128 HA PHE 82 HA PHE 82 -8.723 6.087 -0.367 129 1HB PHE 82 2HB PHE 82 -6.283 6.662 0.368 130 2HB PHE 82 3HB PHE 82 -7.031 5.166 0.906 131 HD1 PHE 82 1HD PHE 82 -4.181 6.593 -0.563 132 HD2 PHE 82 2HD PHE 82 -6.579 3.081 -0.624 133 HE1 PHE 82 1HE PHE 82 -2.286 5.320 -1.505 134 HE2 PHE 82 2HE PHE 82 -4.698 1.813 -1.571 135 HZ PHE 82 HZ PHE 82 -2.551 2.927 -2.004 136 H GLU 83 HN GLU 83 -7.496 8.295 -0.144 137 HA GLU 83 HA GLU 83 -7.264 9.364 -2.877 138 1HB GLU 83 2HB GLU 83 -8.637 10.246 -0.467 139 2HB GLU 83 3HB GLU 83 -7.618 11.504 -1.144 140 1HG GLU 83 2HG GLU 83 -8.916 10.464 -3.343 141 2HG GLU 83 3HG GLU 83 -10.144 10.445 -2.079 142 H LYS 84 HN LYS 84 -5.916 11.475 -2.903 143 HA LYS 84 HA LYS 84 -3.277 10.797 -2.045 144 1HB LYS 84 2HB LYS 84 -3.343 11.977 -4.064 145 2HB LYS 84 3HB LYS 84 -4.497 13.148 -3.453 146 1HG LYS 84 2HG LYS 84 -2.549 13.827 -1.858 147 2HG LYS 84 3HG LYS 84 -1.542 13.005 -3.047 148 1HD LYS 84 2HD LYS 84 -3.553 15.031 -3.925 149 2HD LYS 84 3HD LYS 84 -1.999 15.557 -3.277 150 1HE LYS 84 2HE LYS 84 -1.747 13.431 -5.253 151 2HE LYS 84 3HE LYS 84 -2.522 14.879 -5.898 152 1HZ LYS 84 1HZ LYS 84 -0.146 15.002 -6.184 153 2HZ LYS 84 2HZ LYS 84 0.110 14.765 -4.529 154 3HZ LYS 84 3HZ LYS 84 -0.639 16.180 -5.072 155 H GLY 85 HN GLY 85 -2.314 11.285 -0.187 156 1HA GLY 85 1HA GLY 85 -1.803 12.529 1.738 157 2HA GLY 85 2HA GLY 85 -3.190 13.566 1.406 158 H GLU 86 HN GLU 86 -4.636 10.816 0.972 159 HA GLU 86 HA GLU 86 -6.033 10.720 3.365 160 1HB GLU 86 2HB GLU 86 -6.283 9.520 0.944 161 2HB GLU 86 3HB GLU 86 -5.700 8.171 1.900 162 1HG GLU 86 2HG GLU 86 -8.313 9.068 1.622 163 2HG GLU 86 3HG GLU 86 -7.714 7.811 2.682 164 H GLN 87 HN GLN 87 -6.093 8.823 4.868 165 HA GLN 87 HA GLN 87 -3.366 7.857 5.394 166 1HB GLN 87 2HB GLN 87 -5.352 8.422 7.575 167 2HB GLN 87 3HB GLN 87 -3.625 8.148 7.718 168 1HG GLN 87 2HG GLN 87 -3.098 10.269 7.244 169 2HG GLN 87 3HG GLN 87 -4.388 10.435 6.057 170 1HE2 GLN 87 1HE2 GLN 87 -3.492 10.770 9.380 171 2HE2 GLN 87 2HE2 GLN 87 -4.914 11.601 9.901 172 H LEU 88 HN LEU 88 -3.126 5.853 6.229 173 HA LEU 88 HA LEU 88 -5.444 4.127 6.593 174 1HB LEU 88 2HB LEU 88 -3.308 3.000 4.880 175 2HB LEU 88 3HB LEU 88 -5.019 2.634 4.921 176 HG LEU 88 HG LEU 88 -4.434 5.316 3.903 177 1HD1 LEU 88 1HD1 LEU 88 -2.550 3.573 3.152 178 2HD1 LEU 88 2HD1 LEU 88 -3.791 3.207 1.950 179 3HD1 LEU 88 3HD1 LEU 88 -3.167 4.850 2.100 180 1HD2 LEU 88 1HD2 LEU 88 -6.103 4.739 2.326 181 2HD2 LEU 88 2HD2 LEU 88 -5.906 3.013 2.656 182 3HD2 LEU 88 3HD2 LEU 88 -6.623 4.073 3.877 183 H ARG 89 HN ARG 89 -5.113 2.817 8.234 184 HA ARG 89 HA ARG 89 -2.543 2.754 9.500 185 1HB ARG 89 2HB ARG 89 -4.388 2.909 10.969 186 2HB ARG 89 3HB ARG 89 -5.246 1.604 10.161 187 1HG ARG 89 2HG ARG 89 -3.666 0.005 10.981 188 2HG ARG 89 3HG ARG 89 -2.691 1.287 11.685 189 1HD ARG 89 2HD ARG 89 -4.823 1.907 12.966 190 2HD ARG 89 3HD ARG 89 -5.383 0.300 12.536 191 HE ARG 89 HE ARG 89 -2.774 0.417 13.780 192 1HH1 ARG 89 2HH1 ARG 89 -6.212 0.031 14.271 193 2HH1 ARG 89 1HH1 ARG 89 -6.028 -0.776 15.791 194 1HH2 ARG 89 2HH2 ARG 89 -2.537 -0.644 15.780 195 2HH2 ARG 89 1HH2 ARG 89 -3.944 -1.158 16.649 196 H ILE 90 HN ILE 90 -1.095 1.563 8.483 197 HA ILE 90 HA ILE 90 -1.575 -0.631 6.847 198 HB ILE 90 HB ILE 90 0.993 -0.112 8.346 199 1HG1 ILE 90 2HG1 ILE 90 0.191 1.902 7.170 200 2HG1 ILE 90 3HG1 ILE 90 1.661 1.272 6.459 201 1HG2 ILE 90 1HG2 ILE 90 1.957 -1.648 7.045 202 2HG2 ILE 90 2HG2 ILE 90 0.316 -2.213 6.728 203 3HG2 ILE 90 3HG2 ILE 90 1.096 -1.098 5.606 204 1HD1 ILE 90 1HD1 ILE 90 0.652 1.295 4.494 205 2HD1 ILE 90 2HD1 ILE 90 -0.463 0.063 5.084 206 3HD1 ILE 90 3HD1 ILE 90 -0.871 1.771 5.243 207 H LEU 91 HN LEU 91 -2.449 -2.445 7.371 208 HA LEU 91 HA LEU 91 -2.281 -3.593 10.010 209 1HB LEU 91 2HB LEU 91 -3.350 -4.894 7.511 210 2HB LEU 91 3HB LEU 91 -3.800 -5.224 9.172 211 HG LEU 91 HG LEU 91 -4.410 -2.687 7.657 212 1HD1 LEU 91 1HD1 LEU 91 -6.814 -3.701 8.242 213 2HD1 LEU 91 2HD1 LEU 91 -5.966 -4.004 6.726 214 3HD1 LEU 91 3HD1 LEU 91 -5.901 -5.197 8.024 215 1HD2 LEU 91 1HD2 LEU 91 -6.054 -2.831 9.878 216 2HD2 LEU 91 2HD2 LEU 91 -4.479 -3.347 10.479 217 3HD2 LEU 91 3HD2 LEU 91 -4.649 -1.785 9.679 218 H GLU 92 HN GLU 92 -1.210 -4.332 6.755 219 HA GLU 92 HA GLU 92 1.104 -5.744 7.803 220 1HB GLU 92 2HB GLU 92 -1.125 -7.084 6.589 221 2HB GLU 92 3HB GLU 92 0.285 -7.235 5.548 222 1HG GLU 92 2HG GLU 92 1.052 -8.843 6.848 223 2HG GLU 92 3HG GLU 92 1.174 -7.681 8.171 224 H GLN 93 HN GLN 93 2.849 -5.872 6.248 225 HA GLN 93 HA GLN 93 2.478 -4.211 3.882 226 1HB GLN 93 2HB GLN 93 4.877 -3.311 4.641 227 2HB GLN 93 3HB GLN 93 3.376 -2.515 5.073 228 1HG GLN 93 2HG GLN 93 3.364 -3.788 7.167 229 2HG GLN 93 3HG GLN 93 4.920 -4.448 6.718 230 1HE2 GLN 93 1HE2 GLN 93 6.728 -3.023 6.563 231 2HE2 GLN 93 2HE2 GLN 93 6.754 -1.543 7.455 232 H SER 94 HN SER 94 2.759 -7.019 4.058 233 HA SER 94 HA SER 94 5.487 -7.627 3.315 234 1HB SER 94 2HB SER 94 4.871 -9.610 4.136 235 2HB SER 94 3HB SER 94 3.181 -9.122 4.194 236 HG SER 94 HG SER 94 4.591 -10.376 2.091 237 H GLY 95 HN GLY 95 6.257 -7.769 1.305 238 1HA GLY 95 1HA GLY 95 6.289 -7.891 -1.011 239 2HA GLY 95 2HA GLY 95 4.583 -8.291 -0.963 240 H GLU 96 HN GLU 96 5.590 -6.749 -2.916 241 HA GLU 96 HA GLU 96 5.713 -4.031 -2.690 242 1HB GLU 96 2HB GLU 96 6.094 -4.604 -4.833 243 2HB GLU 96 3HB GLU 96 4.960 -5.949 -4.772 244 1HG GLU 96 2HG GLU 96 3.133 -4.514 -5.073 245 2HG GLU 96 3HG GLU 96 4.150 -3.082 -4.947 246 H TRP 97 HN TRP 97 2.933 -6.013 -2.140 247 HA TRP 97 HA TRP 97 1.225 -3.621 -2.137 248 1HB TRP 97 2HB TRP 97 0.620 -6.538 -2.534 249 2HB TRP 97 3HB TRP 97 -0.642 -5.396 -2.084 250 HD1 TRP 97 1HD TRP 97 1.694 -6.284 -4.985 251 HE1 TRP 97 1HE TRP 97 0.844 -5.115 -7.116 252 HE3 TRP 97 3HE TRP 97 -2.004 -3.425 -2.923 253 HZ2 TRP 97 2HZ TRP 97 -1.132 -3.226 -7.825 254 HZ3 TRP 97 3HZ TRP 97 -3.326 -1.964 -4.387 255 HH2 TRP 97 2HH TRP 97 -2.894 -1.863 -6.790 256 H TRP 98 HN TRP 98 0.825 -2.774 -0.211 257 HA TRP 98 HA TRP 98 1.118 -4.441 2.176 258 1HB TRP 98 2HB TRP 98 1.079 -1.452 1.800 259 2HB TRP 98 3HB TRP 98 1.101 -2.235 3.372 260 HD1 TRP 98 1HD TRP 98 3.203 -4.331 1.312 261 HE1 TRP 98 1HE TRP 98 5.695 -3.744 1.600 262 HE3 TRP 98 3HE TRP 98 2.676 0.177 3.596 263 HZ2 TRP 98 2HZ TRP 98 7.234 -1.607 2.658 264 HZ3 TRP 98 3HZ TRP 98 4.691 1.452 4.214 265 HH2 TRP 98 2HH TRP 98 6.926 0.571 3.757 266 H LYS 99 HN LYS 99 -0.441 -4.659 3.709 267 HA LYS 99 HA LYS 99 -3.169 -4.098 2.875 268 1HB LYS 99 2HB LYS 99 -2.720 -6.320 3.749 269 2HB LYS 99 3HB LYS 99 -2.026 -5.639 5.210 270 1HG LYS 99 2HG LYS 99 -4.431 -6.584 5.262 271 2HG LYS 99 3HG LYS 99 -4.075 -5.066 6.088 272 1HD LYS 99 2HD LYS 99 -5.091 -3.789 4.466 273 2HD LYS 99 3HD LYS 99 -5.030 -5.077 3.260 274 1HE LYS 99 2HE LYS 99 -6.523 -5.972 5.530 275 2HE LYS 99 3HE LYS 99 -7.147 -4.412 5.005 276 1HZ LYS 99 1HZ LYS 99 -6.808 -5.785 2.683 277 2HZ LYS 99 2HZ LYS 99 -8.276 -5.574 3.498 278 3HZ LYS 99 3HZ LYS 99 -7.364 -6.976 3.750 279 H ALA 100 HN ALA 100 -4.033 -2.176 3.416 280 HA ALA 100 HA ALA 100 -3.229 -1.005 6.000 281 1HB ALA 100 1HB ALA 100 -3.046 1.081 5.118 282 2HB ALA 100 2HB ALA 100 -2.600 0.138 3.693 283 3HB ALA 100 3HB ALA 100 -4.239 0.779 3.852 284 H GLN 101 HN GLN 101 -4.766 -0.117 7.297 285 HA GLN 101 HA GLN 101 -7.544 -0.610 6.469 286 1HB GLN 101 2HB GLN 101 -7.035 -1.890 8.432 287 2HB GLN 101 3HB GLN 101 -6.303 -0.510 9.227 288 1HG GLN 101 2HG GLN 101 -8.585 0.549 9.043 289 2HG GLN 101 3HG GLN 101 -9.198 -1.041 8.656 290 1HE2 GLN 101 1HE2 GLN 101 -7.626 0.914 11.095 291 2HE2 GLN 101 2HE2 GLN 101 -8.024 -0.094 12.439 292 H SER 102 HN SER 102 -8.428 1.192 5.767 293 HA SER 102 HA SER 102 -7.476 3.746 6.019 294 1HB SER 102 2HB SER 102 -9.886 2.448 5.114 295 2HB SER 102 3HB SER 102 -10.252 3.965 5.894 296 HG SER 102 HG SER 102 -8.691 3.488 3.621 297 H LEU 103 HN LEU 103 -8.592 5.585 7.182 298 HA LEU 103 HA LEU 103 -9.317 4.724 9.905 299 1HB LEU 103 2HB LEU 103 -7.425 6.867 9.028 300 2HB LEU 103 3HB LEU 103 -8.145 6.863 10.624 301 HG LEU 103 HG LEU 103 -7.228 4.303 10.459 302 1HD1 LEU 103 1HD1 LEU 103 -5.426 6.050 8.829 303 2HD1 LEU 103 2HD1 LEU 103 -4.858 4.582 9.626 304 3HD1 LEU 103 3HD1 LEU 103 -6.132 4.489 8.408 305 1HD2 LEU 103 1HD2 LEU 103 -6.883 6.190 12.211 306 2HD2 LEU 103 2HD2 LEU 103 -5.723 4.861 12.104 307 3HD2 LEU 103 3HD2 LEU 103 -5.345 6.428 11.380 308 H THR 104 HN THR 104 -9.978 6.819 7.260 309 HA THR 104 HA THR 104 -11.787 8.511 8.748 310 HB THR 104 HB THR 104 -11.697 8.282 5.755 311 HG1 THR 104 1HG THR 104 -9.780 9.146 5.655 312 1HG2 THR 104 1HG2 THR 104 -12.246 10.450 7.716 313 2HG2 THR 104 2HG2 THR 104 -13.264 9.841 6.409 314 3HG2 THR 104 3HG2 THR 104 -11.830 10.801 6.039 315 H THR 105 HN THR 105 -11.839 5.883 6.477 316 HA THR 105 HA THR 105 -14.732 5.469 6.815 317 HB THR 105 HB THR 105 -14.756 4.642 4.691 318 HG1 THR 105 1HG THR 105 -12.831 3.737 3.701 319 1HG2 THR 105 1HG2 THR 105 -13.952 6.901 4.402 320 2HG2 THR 105 2HG2 THR 105 -13.254 5.838 3.178 321 3HG2 THR 105 3HG2 THR 105 -12.289 6.337 4.570 322 H GLY 106 HN GLY 106 -11.593 4.097 6.925 323 1HA GLY 106 1HA GLY 106 -10.692 2.448 8.162 324 2HA GLY 106 2HA GLY 106 -12.273 2.057 8.782 325 H GLN 107 HN GLN 107 -12.586 2.147 5.504 326 HA GLN 107 HA GLN 107 -13.056 -0.504 5.132 327 1HB GLN 107 2HB GLN 107 -12.391 1.760 3.373 328 2HB GLN 107 3HB GLN 107 -12.399 0.152 2.671 329 1HG GLN 107 2HG GLN 107 -14.579 0.465 2.408 330 2HG GLN 107 3HG GLN 107 -14.675 0.163 4.141 331 1HE2 GLN 107 1HE2 GLN 107 -15.949 1.554 5.104 332 2HE2 GLN 107 2HE2 GLN 107 -16.104 3.234 4.730 333 H GLU 108 HN GLU 108 -11.856 -2.227 5.154 334 HA GLU 108 HA GLU 108 -8.964 -1.972 5.135 335 1HB GLU 108 2HB GLU 108 -10.694 -4.398 5.581 336 2HB GLU 108 3HB GLU 108 -8.961 -4.326 5.806 337 1HG GLU 108 2HG GLU 108 -9.184 -3.524 7.841 338 2HG GLU 108 3HG GLU 108 -10.256 -2.240 7.292 339 H GLY 109 HN GLY 109 -7.564 -2.956 3.719 340 1HA GLY 109 1HA GLY 109 -8.156 -4.773 1.712 341 2HA GLY 109 2HA GLY 109 -8.439 -3.183 1.026 342 H PHE 110 HN PHE 110 -6.601 -4.466 -0.262 343 HA PHE 110 HA PHE 110 -3.972 -4.067 0.863 344 1HB PHE 110 2HB PHE 110 -5.141 -5.423 -1.496 345 2HB PHE 110 3HB PHE 110 -3.517 -4.794 -1.690 346 HD1 PHE 110 1HD PHE 110 -5.151 -6.304 1.287 347 HD2 PHE 110 2HD PHE 110 -2.125 -6.646 -1.687 348 HE1 PHE 110 1HE PHE 110 -4.256 -8.290 2.430 349 HE2 PHE 110 2HE PHE 110 -1.226 -8.634 -0.549 350 HZ PHE 110 HZ PHE 110 -2.292 -9.459 1.512 351 H ILE 111 HN ILE 111 -2.344 -2.753 -0.198 352 HA ILE 111 HA ILE 111 -3.299 -0.762 -2.096 353 HB ILE 111 HB ILE 111 -2.581 1.145 -0.756 354 1HG1 ILE 111 2HG1 ILE 111 -2.407 -0.480 1.729 355 2HG1 ILE 111 3HG1 ILE 111 -1.048 -0.562 0.620 356 1HG2 ILE 111 1HG2 ILE 111 -4.930 0.118 -0.630 357 2HG2 ILE 111 2HG2 ILE 111 -4.455 -0.420 0.982 358 3HG2 ILE 111 3HG2 ILE 111 -4.468 1.301 0.592 359 1HD1 ILE 111 1HD1 ILE 111 -1.071 1.988 0.691 360 2HD1 ILE 111 2HD1 ILE 111 -2.095 1.799 2.115 361 3HD1 ILE 111 3HD1 ILE 111 -0.467 1.116 2.101 362 HA PRO 112 HA PRO 112 0.701 -1.080 -3.858 363 1HB PRO 112 2HB PRO 112 0.952 1.648 -4.508 364 2HB PRO 112 3HB PRO 112 0.283 0.383 -5.541 365 1HG PRO 112 2HG PRO 112 -1.119 2.386 -3.871 366 2HG PRO 112 3HG PRO 112 -1.630 1.615 -5.372 367 1HD PRO 112 2HD PRO 112 -2.647 0.952 -2.964 368 2HD PRO 112 3HD PRO 112 -2.492 -0.205 -4.294 369 H PHE 113 HN PHE 113 2.311 -1.414 -2.407 370 HA PHE 113 HA PHE 113 2.815 0.023 -0.108 371 1HB PHE 113 2HB PHE 113 4.760 -1.228 0.139 372 2HB PHE 113 3HB PHE 113 3.770 -2.249 -0.898 373 HD1 PHE 113 1HD PHE 113 6.939 -1.787 -0.401 374 HD2 PHE 113 2HD PHE 113 4.171 -0.948 -3.522 375 HE1 PHE 113 1HE PHE 113 8.771 -1.858 -2.040 376 HE2 PHE 113 2HE PHE 113 5.998 -1.017 -5.168 377 HZ PHE 113 HZ PHE 113 8.302 -1.473 -4.427 378 H ASN 114 HN ASN 114 3.626 0.887 -3.354 379 HA ASN 114 HA ASN 114 5.472 2.960 -2.417 380 1HB ASN 114 2HB ASN 114 5.873 3.273 -4.908 381 2HB ASN 114 3HB ASN 114 6.405 1.740 -4.226 382 1HD2 ASN 114 1HD2 ASN 114 5.024 3.033 -6.830 383 2HD2 ASN 114 2HD2 ASN 114 4.034 1.718 -7.354 384 H PHE 115 HN PHE 115 2.593 3.104 -1.975 385 HA PHE 115 HA PHE 115 1.964 5.483 -3.601 386 1HB PHE 115 2HB PHE 115 0.477 3.117 -3.252 387 2HB PHE 115 3HB PHE 115 -0.357 4.353 -2.327 388 HD1 PHE 115 1HD PHE 115 1.509 4.587 -5.542 389 HD2 PHE 115 2HD PHE 115 -2.213 4.931 -3.520 390 HE1 PHE 115 1HE PHE 115 0.473 5.449 -7.601 391 HE2 PHE 115 2HE PHE 115 -3.254 5.789 -5.563 392 HZ PHE 115 HZ PHE 115 -1.916 6.052 -7.616 393 H VAL 116 HN VAL 116 2.388 4.226 -0.412 394 HA VAL 116 HA VAL 116 1.297 6.729 0.690 395 HB VAL 116 HB VAL 116 0.971 5.459 2.814 396 1HG1 VAL 116 1HG1 VAL 116 -1.147 4.811 2.225 397 2HG1 VAL 116 2HG1 VAL 116 -0.730 5.871 0.880 398 3HG1 VAL 116 3HG1 VAL 116 -0.627 4.121 0.688 399 1HG2 VAL 116 1HG2 VAL 116 2.430 3.598 2.563 400 2HG2 VAL 116 2HG2 VAL 116 0.787 2.955 2.539 401 3HG2 VAL 116 3HG2 VAL 116 1.682 3.137 1.032 402 H ALA 117 HN ALA 117 2.295 7.714 2.406 403 HA ALA 117 HA ALA 117 4.982 6.821 3.154 404 1HB ALA 117 1HB ALA 117 4.708 8.788 1.318 405 2HB ALA 117 2HB ALA 117 4.673 9.734 2.806 406 3HB ALA 117 3HB ALA 117 6.051 8.690 2.458 407 H LYS 118 HN LYS 118 5.504 7.271 5.285 408 HA LYS 118 HA LYS 118 3.648 7.347 7.228 409 1HB LYS 118 2HB LYS 118 6.476 7.956 7.084 410 2HB LYS 118 3HB LYS 118 5.687 8.923 8.320 411 1HG LYS 118 2HG LYS 118 6.675 6.653 8.985 412 2HG LYS 118 3HG LYS 118 5.056 7.062 9.556 413 1HD LYS 118 2HD LYS 118 4.034 5.555 8.158 414 2HD LYS 118 3HD LYS 118 5.342 5.603 6.976 415 1HE LYS 118 2HE LYS 118 5.577 4.358 9.712 416 2HE LYS 118 3HE LYS 118 5.172 3.458 8.250 417 1HZ LYS 118 1HZ LYS 118 7.325 4.427 7.330 418 2HZ LYS 118 2HZ LYS 118 7.458 3.197 8.483 419 3HZ LYS 118 3HZ LYS 118 7.710 4.808 8.934 420 H ALA 119 HN ALA 119 2.444 8.776 8.378 421 HA ALA 119 HA ALA 119 1.738 11.237 7.129 422 1HB ALA 119 1HB ALA 119 -0.079 10.386 8.238 423 2HB ALA 119 2HB ALA 119 0.883 9.817 9.607 424 3HB ALA 119 3HB ALA 119 0.504 11.531 9.445 425 H ASN 120 HN ASN 120 4.373 11.535 7.465 426 HA ASN 120 HA ASN 120 4.776 13.157 9.872 427 1HB ASN 120 2HB ASN 120 6.559 11.654 8.040 428 2HB ASN 120 3HB ASN 120 7.206 13.153 8.701 429 1HD2 ASN 120 1HD2 ASN 120 7.915 13.191 10.744 430 2HD2 ASN 120 2HD2 ASN 120 7.819 11.863 11.845 Start of MODEL 9 1 H ASN 64 HN ASN 64 1.163 2.962 12.916 2 HA ASN 64 HA ASN 64 3.414 2.313 11.329 3 1HB ASN 64 2HB ASN 64 1.406 0.148 11.829 4 2HB ASN 64 3HB ASN 64 2.085 0.309 10.215 5 1HD2 ASN 64 1HD2 ASN 64 2.435 -1.939 11.806 6 2HD2 ASN 64 2HD2 ASN 64 4.110 -2.075 12.207 7 H LEU 65 HN LEU 65 1.261 4.284 11.666 8 HA LEU 65 HA LEU 65 -0.433 3.936 9.377 9 1HB LEU 65 2HB LEU 65 -1.454 5.026 11.163 10 2HB LEU 65 3HB LEU 65 -0.131 6.144 11.378 11 HG LEU 65 HG LEU 65 -0.720 7.197 9.254 12 1HD1 LEU 65 1HD1 LEU 65 -3.329 6.257 8.836 13 2HD1 LEU 65 2HD1 LEU 65 -1.931 6.094 7.771 14 3HD1 LEU 65 3HD1 LEU 65 -2.286 4.841 8.962 15 1HD2 LEU 65 1HD2 LEU 65 -2.967 6.989 11.247 16 2HD2 LEU 65 2HD2 LEU 65 -1.635 8.144 11.277 17 3HD2 LEU 65 3HD2 LEU 65 -2.846 8.227 9.997 18 H VAL 66 HN VAL 66 -0.434 4.967 7.547 19 HA VAL 66 HA VAL 66 1.892 6.633 6.847 20 HB VAL 66 HB VAL 66 1.522 5.657 4.531 21 1HG1 VAL 66 1HG1 VAL 66 2.858 3.590 5.123 22 2HG1 VAL 66 2HG1 VAL 66 3.517 5.131 5.674 23 3HG1 VAL 66 3HG1 VAL 66 2.668 4.081 6.807 24 1HG2 VAL 66 1HG2 VAL 66 -0.593 4.581 4.845 25 2HG2 VAL 66 2HG2 VAL 66 0.620 3.342 4.521 26 3HG2 VAL 66 3HG2 VAL 66 0.054 3.611 6.169 27 H ILE 67 HN ILE 67 1.359 7.533 4.482 28 HA ILE 67 HA ILE 67 -1.382 8.449 4.316 29 HB ILE 67 HB ILE 67 0.748 10.156 5.288 30 1HG1 ILE 67 2HG1 ILE 67 -2.223 10.341 4.908 31 2HG1 ILE 67 3HG1 ILE 67 -1.355 9.987 6.371 32 1HG2 ILE 67 1HG2 ILE 67 0.180 12.138 3.913 33 2HG2 ILE 67 2HG2 ILE 67 1.030 10.888 3.003 34 3HG2 ILE 67 3HG2 ILE 67 -0.713 11.085 2.817 35 1HD1 ILE 67 1HD1 ILE 67 -1.396 12.123 6.923 36 2HD1 ILE 67 2HD1 ILE 67 -0.534 12.539 5.440 37 3HD1 ILE 67 3HD1 ILE 67 -2.298 12.466 5.446 38 H ALA 68 HN ALA 68 -2.069 8.424 2.328 39 HA ALA 68 HA ALA 68 -0.523 7.515 0.194 40 1HB ALA 68 1HB ALA 68 -2.473 7.355 -0.855 41 2HB ALA 68 2HB ALA 68 -3.206 7.971 0.626 42 3HB ALA 68 3HB ALA 68 -2.802 9.078 -0.687 43 H LEU 69 HN LEU 69 0.307 8.494 -1.640 44 HA LEU 69 HA LEU 69 1.051 11.300 -1.262 45 1HB LEU 69 2HB LEU 69 2.229 9.081 -2.920 46 2HB LEU 69 3HB LEU 69 2.747 10.752 -3.068 47 HG LEU 69 HG LEU 69 2.996 8.983 -0.631 48 1HD1 LEU 69 1HD1 LEU 69 5.446 9.574 -0.990 49 2HD1 LEU 69 2HD1 LEU 69 4.724 8.439 -2.128 50 3HD1 LEU 69 3HD1 LEU 69 4.969 10.123 -2.595 51 1HD2 LEU 69 1HD2 LEU 69 2.459 11.175 0.152 52 2HD2 LEU 69 2HD2 LEU 69 4.195 10.938 0.357 53 3HD2 LEU 69 3HD2 LEU 69 3.591 11.917 -0.980 54 H HIS 70 HN HIS 70 -0.813 9.211 -3.281 55 HA HIS 70 HA HIS 70 -1.694 11.517 -4.827 56 1HB HIS 70 2HB HIS 70 -1.647 9.725 -6.850 57 2HB HIS 70 3HB HIS 70 -0.369 10.890 -6.553 58 HD1 HIS 70 1HD HIS 70 -0.800 7.454 -7.240 59 HD2 HIS 70 2HD HIS 70 1.710 9.622 -4.745 60 HE1 HIS 70 1HE HIS 70 1.120 5.914 -6.719 61 HE2 HIS 70 2HE HIS 70 2.574 7.213 -5.122 62 H SER 71 HN SER 71 -3.453 10.516 -6.512 63 HA SER 71 HA SER 71 -5.485 9.414 -4.776 64 1HB SER 71 2HB SER 71 -6.019 9.735 -7.681 65 2HB SER 71 3HB SER 71 -7.006 10.198 -6.296 66 HG SER 71 HG SER 71 -4.906 11.583 -7.535 67 H TYR 72 HN TYR 72 -5.981 7.326 -4.605 68 HA TYR 72 HA TYR 72 -4.821 5.481 -6.581 69 1HB TYR 72 2HB TYR 72 -4.181 5.157 -4.199 70 2HB TYR 72 3HB TYR 72 -5.865 4.827 -3.824 71 HD1 TYR 72 1HD TYR 72 -3.729 3.704 -6.674 72 HD2 TYR 72 2HD TYR 72 -6.021 2.583 -3.274 73 HE1 TYR 72 1HE TYR 72 -3.404 1.336 -7.245 74 HE2 TYR 72 2HE TYR 72 -5.698 0.211 -3.829 75 HH TYR 72 HH TYR 72 -4.772 -0.880 -6.735 76 H GLU 73 HN GLU 73 -5.974 3.841 -7.513 77 HA GLU 73 HA GLU 73 -8.859 3.760 -7.102 78 1HB GLU 73 2HB GLU 73 -7.533 4.800 -9.372 79 2HB GLU 73 3HB GLU 73 -8.345 3.323 -9.846 80 1HG GLU 73 2HG GLU 73 -10.449 4.162 -9.168 81 2HG GLU 73 3HG GLU 73 -9.699 5.521 -8.331 82 HA PRO 74 HA PRO 74 -7.256 -0.452 -6.322 83 1HB PRO 74 2HB PRO 74 -10.054 -1.150 -6.243 84 2HB PRO 74 3HB PRO 74 -8.897 -1.071 -4.914 85 1HG PRO 74 2HG PRO 74 -10.873 0.923 -5.790 86 2HG PRO 74 3HG PRO 74 -10.081 0.733 -4.217 87 1HD PRO 74 2HD PRO 74 -9.469 2.766 -5.898 88 2HD PRO 74 3HD PRO 74 -8.249 2.001 -4.854 89 H SER 75 HN SER 75 -6.588 -1.653 -7.948 90 HA SER 75 HA SER 75 -8.407 -2.131 -10.216 91 1HB SER 75 2HB SER 75 -5.378 -2.086 -10.224 92 2HB SER 75 3HB SER 75 -6.403 -2.427 -11.618 93 HG SER 75 HG SER 75 -5.630 -0.056 -10.645 94 H HIS 76 HN HIS 76 -6.099 -3.518 -7.963 95 HA HIS 76 HA HIS 76 -6.391 -6.186 -9.043 96 1HB HIS 76 2HB HIS 76 -4.735 -4.890 -6.945 97 2HB HIS 76 3HB HIS 76 -5.108 -6.595 -6.709 98 HD1 HIS 76 1HD HIS 76 -2.926 -4.328 -8.588 99 HD2 HIS 76 2HD HIS 76 -4.142 -8.293 -8.846 100 HE1 HIS 76 1HE HIS 76 -1.298 -5.430 -10.155 101 HE2 HIS 76 2HE HIS 76 -2.110 -7.806 -10.368 102 H ASP 77 HN ASP 77 -6.891 -7.987 -7.418 103 HA ASP 77 HA ASP 77 -9.512 -7.478 -6.346 104 1HB ASP 77 2HB ASP 77 -9.424 -9.917 -5.743 105 2HB ASP 77 3HB ASP 77 -9.173 -9.580 -7.453 106 H GLY 78 HN GLY 78 -10.158 -7.528 -4.205 107 1HA GLY 78 1HA GLY 78 -9.965 -7.257 -1.928 108 2HA GLY 78 2HA GLY 78 -8.532 -8.268 -2.031 109 H ASP 79 HN ASP 79 -8.977 -5.170 -3.654 110 HA ASP 79 HA ASP 79 -6.697 -4.148 -2.117 111 1HB ASP 79 2HB ASP 79 -7.812 -3.337 -4.802 112 2HB ASP 79 3HB ASP 79 -6.527 -2.464 -3.974 113 H LEU 80 HN LEU 80 -6.696 -1.949 -1.432 114 HA LEU 80 HA LEU 80 -9.394 -0.942 -0.827 115 1HB LEU 80 2HB LEU 80 -8.528 -1.349 1.257 116 2HB LEU 80 3HB LEU 80 -6.875 -1.098 0.743 117 HG LEU 80 HG LEU 80 -7.553 1.406 0.609 118 1HD1 LEU 80 1HD1 LEU 80 -9.779 1.626 0.966 119 2HD1 LEU 80 2HD1 LEU 80 -9.876 0.170 1.955 120 3HD1 LEU 80 3HD1 LEU 80 -9.257 1.668 2.651 121 1HD2 LEU 80 1HD2 LEU 80 -6.846 -0.279 2.924 122 2HD2 LEU 80 2HD2 LEU 80 -5.981 1.075 2.198 123 3HD2 LEU 80 3HD2 LEU 80 -7.346 1.375 3.274 124 H GLY 81 HN GLY 81 -9.954 0.981 -1.639 125 1HA GLY 81 1HA GLY 81 -7.914 2.506 -3.072 126 2HA GLY 81 2HA GLY 81 -9.647 2.708 -3.235 127 H PHE 82 HN PHE 82 -7.421 4.624 -2.683 128 HA PHE 82 HA PHE 82 -8.744 5.981 -0.470 129 1HB PHE 82 2HB PHE 82 -6.350 6.609 0.347 130 2HB PHE 82 3HB PHE 82 -7.049 5.067 0.818 131 HD1 PHE 82 1HD PHE 82 -6.466 3.040 -0.719 132 HD2 PHE 82 2HD PHE 82 -4.255 6.666 -0.593 133 HE1 PHE 82 1HE PHE 82 -4.515 1.882 -1.671 134 HE2 PHE 82 2HE PHE 82 -2.294 5.511 -1.541 135 HZ PHE 82 HZ PHE 82 -2.427 3.115 -2.079 136 H GLU 83 HN GLU 83 -7.509 8.213 -0.173 137 HA GLU 83 HA GLU 83 -7.309 9.342 -2.883 138 1HB GLU 83 2HB GLU 83 -8.677 10.154 -0.449 139 2HB GLU 83 3HB GLU 83 -7.681 11.441 -1.106 140 1HG GLU 83 2HG GLU 83 -8.981 10.424 -3.316 141 2HG GLU 83 3HG GLU 83 -10.199 10.371 -2.043 142 H LYS 84 HN LYS 84 -6.033 11.528 -2.795 143 HA LYS 84 HA LYS 84 -3.357 10.869 -2.013 144 1HB LYS 84 2HB LYS 84 -3.402 12.097 -3.975 145 2HB LYS 84 3HB LYS 84 -4.679 13.155 -3.408 146 1HG LYS 84 2HG LYS 84 -2.800 13.940 -1.721 147 2HG LYS 84 3HG LYS 84 -1.741 13.311 -2.981 148 1HD LYS 84 2HD LYS 84 -3.934 14.999 -3.949 149 2HD LYS 84 3HD LYS 84 -2.763 15.830 -2.923 150 1HE LYS 84 2HE LYS 84 -1.349 14.172 -4.758 151 2HE LYS 84 3HE LYS 84 -2.528 15.125 -5.659 152 1HZ LYS 84 1HZ LYS 84 -0.509 16.354 -5.518 153 2HZ LYS 84 2HZ LYS 84 -0.420 16.151 -3.841 154 3HZ LYS 84 3HZ LYS 84 -1.637 17.116 -4.512 155 H GLY 85 HN GLY 85 -2.305 11.435 -0.199 156 1HA GLY 85 1HA GLY 85 -1.835 12.578 1.780 157 2HA GLY 85 2HA GLY 85 -3.209 13.639 1.462 158 H GLU 86 HN GLU 86 -4.563 10.776 0.996 159 HA GLU 86 HA GLU 86 -6.016 10.705 3.373 160 1HB GLU 86 2HB GLU 86 -6.227 9.496 0.947 161 2HB GLU 86 3HB GLU 86 -5.649 8.156 1.918 162 1HG GLU 86 2HG GLU 86 -8.265 9.045 1.605 163 2HG GLU 86 3HG GLU 86 -7.674 7.787 2.669 164 H GLN 87 HN GLN 87 -6.069 8.808 4.874 165 HA GLN 87 HA GLN 87 -3.341 7.850 5.405 166 1HB GLN 87 2HB GLN 87 -5.307 8.455 7.592 167 2HB GLN 87 3HB GLN 87 -3.582 8.169 7.728 168 1HG GLN 87 2HG GLN 87 -3.048 10.284 7.250 169 2HG GLN 87 3HG GLN 87 -4.316 10.441 6.040 170 1HE2 GLN 87 1HE2 GLN 87 -3.636 10.510 9.481 171 2HE2 GLN 87 2HE2 GLN 87 -4.997 11.477 9.923 172 H LEU 88 HN LEU 88 -3.098 5.854 6.219 173 HA LEU 88 HA LEU 88 -5.419 4.141 6.632 174 1HB LEU 88 2HB LEU 88 -3.306 2.983 4.915 175 2HB LEU 88 3HB LEU 88 -5.023 2.645 4.961 176 HG LEU 88 HG LEU 88 -4.420 5.312 3.931 177 1HD1 LEU 88 1HD1 LEU 88 -3.122 4.849 2.150 178 2HD1 LEU 88 2HD1 LEU 88 -2.523 3.564 3.204 179 3HD1 LEU 88 3HD1 LEU 88 -3.748 3.208 1.984 180 1HD2 LEU 88 1HD2 LEU 88 -6.612 4.137 3.867 181 2HD2 LEU 88 2HD2 LEU 88 -6.039 4.676 2.285 182 3HD2 LEU 88 3HD2 LEU 88 -5.895 2.974 2.742 183 H ARG 89 HN ARG 89 -5.081 2.838 8.281 184 HA ARG 89 HA ARG 89 -2.499 2.772 9.526 185 1HB ARG 89 2HB ARG 89 -4.327 2.937 11.014 186 2HB ARG 89 3HB ARG 89 -5.203 1.640 10.211 187 1HG ARG 89 2HG ARG 89 -3.640 0.025 11.021 188 2HG ARG 89 3HG ARG 89 -2.636 1.293 11.708 189 1HD ARG 89 2HD ARG 89 -4.757 1.950 13.004 190 2HD ARG 89 3HD ARG 89 -5.321 0.337 12.604 191 HE ARG 89 HE ARG 89 -2.696 0.455 13.806 192 1HH1 ARG 89 2HH1 ARG 89 -6.129 0.143 14.374 193 2HH1 ARG 89 1HH1 ARG 89 -5.930 -0.626 15.911 194 1HH2 ARG 89 2HH2 ARG 89 -2.437 -0.557 15.830 195 2HH2 ARG 89 1HH2 ARG 89 -3.836 -1.023 16.739 196 H ILE 90 HN ILE 90 -1.060 1.563 8.523 197 HA ILE 90 HA ILE 90 -1.567 -0.619 6.876 198 HB ILE 90 HB ILE 90 1.018 -0.126 8.355 199 1HG1 ILE 90 2HG1 ILE 90 0.200 1.900 7.197 200 2HG1 ILE 90 3HG1 ILE 90 1.675 1.281 6.488 201 1HG2 ILE 90 1HG2 ILE 90 0.315 -2.210 6.729 202 2HG2 ILE 90 2HG2 ILE 90 1.087 -1.090 5.605 203 3HG2 ILE 90 3HG2 ILE 90 1.963 -1.655 7.028 204 1HD1 ILE 90 1HD1 ILE 90 -0.842 1.795 5.259 205 2HD1 ILE 90 2HD1 ILE 90 0.678 1.296 4.518 206 3HD1 ILE 90 3HD1 ILE 90 -0.457 0.081 5.104 207 H LEU 91 HN LEU 91 -2.420 -2.442 7.372 208 HA LEU 91 HA LEU 91 -2.267 -3.615 10.001 209 1HB LEU 91 2HB LEU 91 -3.314 -4.896 7.484 210 2HB LEU 91 3HB LEU 91 -3.776 -5.241 9.139 211 HG LEU 91 HG LEU 91 -4.386 -2.707 7.625 212 1HD1 LEU 91 1HD1 LEU 91 -5.996 -5.144 8.213 213 2HD1 LEU 91 2HD1 LEU 91 -6.780 -3.572 8.034 214 3HD1 LEU 91 3HD1 LEU 91 -5.827 -4.240 6.709 215 1HD2 LEU 91 1HD2 LEU 91 -4.388 -3.303 10.443 216 2HD2 LEU 91 2HD2 LEU 91 -4.675 -1.771 9.618 217 3HD2 LEU 91 3HD2 LEU 91 -6.010 -2.891 9.886 218 H GLU 92 HN GLU 92 -1.183 -4.327 6.742 219 HA GLU 92 HA GLU 92 1.135 -5.731 7.788 220 1HB GLU 92 2HB GLU 92 -1.087 -7.082 6.577 221 2HB GLU 92 3HB GLU 92 0.321 -7.223 5.531 222 1HG GLU 92 2HG GLU 92 1.101 -8.829 6.826 223 2HG GLU 92 3HG GLU 92 1.225 -7.664 8.148 224 H GLN 93 HN GLN 93 2.877 -5.855 6.235 225 HA GLN 93 HA GLN 93 2.507 -4.172 3.880 226 1HB GLN 93 2HB GLN 93 4.925 -3.311 4.650 227 2HB GLN 93 3HB GLN 93 3.432 -2.500 5.085 228 1HG GLN 93 2HG GLN 93 3.393 -3.740 7.175 229 2HG GLN 93 3HG GLN 93 4.900 -4.500 6.723 230 1HE2 GLN 93 1HE2 GLN 93 3.482 -1.898 8.283 231 2HE2 GLN 93 2HE2 GLN 93 4.893 -0.925 8.504 232 H SER 94 HN SER 94 2.750 -6.978 3.981 233 HA SER 94 HA SER 94 5.474 -7.616 3.251 234 1HB SER 94 2HB SER 94 4.811 -9.604 4.018 235 2HB SER 94 3HB SER 94 3.129 -9.090 4.059 236 HG SER 94 HG SER 94 4.531 -10.144 1.824 237 H GLY 95 HN GLY 95 6.267 -7.722 1.249 238 1HA GLY 95 1HA GLY 95 6.345 -7.751 -1.065 239 2HA GLY 95 2HA GLY 95 4.649 -8.191 -1.058 240 H GLU 96 HN GLU 96 5.630 -6.589 -2.962 241 HA GLU 96 HA GLU 96 5.701 -3.875 -2.691 242 1HB GLU 96 2HB GLU 96 6.080 -4.391 -4.847 243 2HB GLU 96 3HB GLU 96 4.988 -5.769 -4.803 244 1HG GLU 96 2HG GLU 96 3.116 -4.385 -5.072 245 2HG GLU 96 3HG GLU 96 4.093 -2.926 -4.926 246 H TRP 97 HN TRP 97 2.956 -5.914 -2.182 247 HA TRP 97 HA TRP 97 1.198 -3.561 -2.139 248 1HB TRP 97 2HB TRP 97 0.649 -6.497 -2.503 249 2HB TRP 97 3HB TRP 97 -0.629 -5.357 -2.095 250 HD1 TRP 97 1HD TRP 97 1.740 -6.298 -4.951 251 HE1 TRP 97 1HE TRP 97 0.905 -5.184 -7.117 252 HE3 TRP 97 3HE TRP 97 -1.987 -3.409 -2.990 253 HZ2 TRP 97 2HZ TRP 97 -1.074 -3.319 -7.888 254 HZ3 TRP 97 3HZ TRP 97 -3.299 -1.987 -4.498 255 HH2 TRP 97 2HH TRP 97 -2.851 -1.939 -6.897 256 H TRP 98 HN TRP 98 0.696 -2.750 -0.215 257 HA TRP 98 HA TRP 98 1.087 -4.416 2.166 258 1HB TRP 98 2HB TRP 98 1.004 -1.427 1.793 259 2HB TRP 98 3HB TRP 98 1.025 -2.204 3.367 260 HD1 TRP 98 1HD TRP 98 3.162 -4.235 1.239 261 HE1 TRP 98 1HE TRP 98 5.646 -3.644 1.582 262 HE3 TRP 98 3HE TRP 98 2.578 0.163 3.723 263 HZ2 TRP 98 2HZ TRP 98 7.158 -1.552 2.755 264 HZ3 TRP 98 3HZ TRP 98 4.578 1.417 4.423 265 HH2 TRP 98 2HH TRP 98 6.825 0.572 3.951 266 H LYS 99 HN LYS 99 -0.455 -4.668 3.713 267 HA LYS 99 HA LYS 99 -3.198 -4.124 2.910 268 1HB LYS 99 2HB LYS 99 -2.701 -6.355 3.767 269 2HB LYS 99 3HB LYS 99 -2.043 -5.665 5.241 270 1HG LYS 99 2HG LYS 99 -4.435 -6.649 5.251 271 2HG LYS 99 3HG LYS 99 -4.116 -5.127 6.085 272 1HD LYS 99 2HD LYS 99 -5.121 -3.862 4.447 273 2HD LYS 99 3HD LYS 99 -5.026 -5.148 3.241 274 1HE LYS 99 2HE LYS 99 -6.543 -6.061 5.489 275 2HE LYS 99 3HE LYS 99 -7.179 -4.509 4.950 276 1HZ LYS 99 1HZ LYS 99 -8.286 -5.733 3.465 277 2HZ LYS 99 2HZ LYS 99 -7.289 -7.083 3.666 278 3HZ LYS 99 3HZ LYS 99 -6.818 -5.834 2.629 279 H ALA 100 HN ALA 100 -4.045 -2.202 3.467 280 HA ALA 100 HA ALA 100 -3.224 -1.056 6.057 281 1HB ALA 100 1HB ALA 100 -2.592 0.103 3.769 282 2HB ALA 100 2HB ALA 100 -4.237 0.733 3.910 283 3HB ALA 100 3HB ALA 100 -3.059 1.043 5.188 284 H GLN 101 HN GLN 101 -4.750 -0.093 7.338 285 HA GLN 101 HA GLN 101 -7.535 -0.598 6.539 286 1HB GLN 101 2HB GLN 101 -7.017 -1.865 8.511 287 2HB GLN 101 3HB GLN 101 -6.283 -0.479 9.292 288 1HG GLN 101 2HG GLN 101 -8.565 0.578 9.098 289 2HG GLN 101 3HG GLN 101 -9.178 -1.016 8.733 290 1HE2 GLN 101 1HE2 GLN 101 -7.575 0.959 11.140 291 2HE2 GLN 101 2HE2 GLN 101 -7.978 -0.025 12.500 292 H SER 102 HN SER 102 -8.410 1.203 5.825 293 HA SER 102 HA SER 102 -7.439 3.756 6.060 294 1HB SER 102 2HB SER 102 -9.850 2.468 5.151 295 2HB SER 102 3HB SER 102 -10.217 3.985 5.932 296 HG SER 102 HG SER 102 -8.749 5.012 4.536 297 H LEU 103 HN LEU 103 -8.557 5.609 7.208 298 HA LEU 103 HA LEU 103 -9.281 4.765 9.937 299 1HB LEU 103 2HB LEU 103 -7.380 6.896 9.050 300 2HB LEU 103 3HB LEU 103 -8.103 6.905 10.645 301 HG LEU 103 HG LEU 103 -7.195 4.339 10.493 302 1HD1 LEU 103 1HD1 LEU 103 -5.378 6.077 8.870 303 2HD1 LEU 103 2HD1 LEU 103 -4.823 4.605 9.668 304 3HD1 LEU 103 3HD1 LEU 103 -6.090 4.521 8.444 305 1HD2 LEU 103 1HD2 LEU 103 -5.698 4.896 12.143 306 2HD2 LEU 103 2HD2 LEU 103 -5.310 6.460 11.416 307 3HD2 LEU 103 3HD2 LEU 103 -6.853 6.230 12.240 308 H THR 104 HN THR 104 -9.936 6.852 7.282 309 HA THR 104 HA THR 104 -11.741 8.550 8.768 310 HB THR 104 HB THR 104 -11.633 8.330 5.774 311 HG1 THR 104 1HG THR 104 -9.804 9.810 7.354 312 1HG2 THR 104 1HG2 THR 104 -12.183 10.507 7.733 313 2HG2 THR 104 2HG2 THR 104 -13.222 9.875 6.452 314 3HG2 THR 104 3HG2 THR 104 -11.799 10.837 6.044 315 H THR 105 HN THR 105 -11.793 5.901 6.525 316 HA THR 105 HA THR 105 -14.691 5.510 6.853 317 HB THR 105 HB THR 105 -14.721 4.679 4.731 318 HG1 THR 105 1HG THR 105 -12.777 3.779 3.742 319 1HG2 THR 105 1HG2 THR 105 -13.906 6.935 4.440 320 2HG2 THR 105 2HG2 THR 105 -13.218 5.867 3.214 321 3HG2 THR 105 3HG2 THR 105 -12.246 6.360 4.602 322 H GLY 106 HN GLY 106 -11.557 4.120 6.959 323 1HA GLY 106 1HA GLY 106 -10.660 2.471 8.198 324 2HA GLY 106 2HA GLY 106 -12.238 2.093 8.830 325 H GLN 107 HN GLN 107 -12.540 2.175 5.541 326 HA GLN 107 HA GLN 107 -13.036 -0.481 5.193 327 1HB GLN 107 2HB GLN 107 -12.373 1.767 3.413 328 2HB GLN 107 3HB GLN 107 -12.402 0.154 2.724 329 1HG GLN 107 2HG GLN 107 -14.582 0.488 2.479 330 2HG GLN 107 3HG GLN 107 -14.661 0.194 4.214 331 1HE2 GLN 107 1HE2 GLN 107 -14.284 2.748 1.806 332 2HE2 GLN 107 2HE2 GLN 107 -15.055 3.984 2.736 333 H GLU 108 HN GLU 108 -11.843 -2.211 5.198 334 HA GLU 108 HA GLU 108 -8.949 -1.965 5.152 335 1HB GLU 108 2HB GLU 108 -10.708 -4.362 5.643 336 2HB GLU 108 3HB GLU 108 -8.966 -4.343 5.796 337 1HG GLU 108 2HG GLU 108 -9.083 -3.549 7.842 338 2HG GLU 108 3HG GLU 108 -10.124 -2.222 7.339 339 H GLY 109 HN GLY 109 -7.573 -2.990 3.728 340 1HA GLY 109 1HA GLY 109 -8.226 -4.789 1.724 341 2HA GLY 109 2HA GLY 109 -8.476 -3.190 1.043 342 H PHE 110 HN PHE 110 -6.686 -4.523 -0.263 343 HA PHE 110 HA PHE 110 -4.039 -4.133 0.848 344 1HB PHE 110 2HB PHE 110 -5.238 -5.655 -1.373 345 2HB PHE 110 3HB PHE 110 -3.642 -5.005 -1.694 346 HD1 PHE 110 1HD PHE 110 -5.254 -6.501 1.318 347 HD2 PHE 110 2HD PHE 110 -2.042 -6.636 -1.473 348 HE1 PHE 110 1HE PHE 110 -4.253 -8.372 2.565 349 HE2 PHE 110 2HE PHE 110 -1.036 -8.508 -0.231 350 HZ PHE 110 HZ PHE 110 -2.142 -9.378 1.790 351 H ILE 111 HN ILE 111 -2.559 -2.649 0.123 352 HA ILE 111 HA ILE 111 -3.415 -0.824 -2.019 353 HB ILE 111 HB ILE 111 -2.580 1.100 -0.737 354 1HG1 ILE 111 2HG1 ILE 111 -2.532 -0.578 1.745 355 2HG1 ILE 111 3HG1 ILE 111 -1.125 -0.541 0.694 356 1HG2 ILE 111 1HG2 ILE 111 -4.989 0.234 -0.665 357 2HG2 ILE 111 2HG2 ILE 111 -4.607 -0.290 0.976 358 3HG2 ILE 111 3HG2 ILE 111 -4.492 1.417 0.544 359 1HD1 ILE 111 1HD1 ILE 111 -1.504 2.069 0.921 360 2HD1 ILE 111 2HD1 ILE 111 -2.232 1.556 2.443 361 3HD1 ILE 111 3HD1 ILE 111 -0.558 1.135 2.081 362 HA PRO 112 HA PRO 112 0.598 -1.253 -3.734 363 1HB PRO 112 2HB PRO 112 0.879 1.381 -4.595 364 2HB PRO 112 3HB PRO 112 0.101 0.084 -5.505 365 1HG PRO 112 2HG PRO 112 -1.125 2.230 -3.856 366 2HG PRO 112 3HG PRO 112 -1.717 1.472 -5.333 367 1HD PRO 112 2HD PRO 112 -2.715 0.886 -2.911 368 2HD PRO 112 3HD PRO 112 -2.617 -0.306 -4.211 369 H PHE 113 HN PHE 113 2.266 -1.452 -2.328 370 HA PHE 113 HA PHE 113 2.730 0.101 -0.092 371 1HB PHE 113 2HB PHE 113 4.663 -1.116 0.227 372 2HB PHE 113 3HB PHE 113 3.757 -2.178 -0.844 373 HD1 PHE 113 1HD PHE 113 6.885 -1.562 -0.208 374 HD2 PHE 113 2HD PHE 113 4.222 -0.915 -3.463 375 HE1 PHE 113 1HE PHE 113 8.790 -1.578 -1.764 376 HE2 PHE 113 2HE PHE 113 6.122 -0.930 -5.026 377 HZ PHE 113 HZ PHE 113 8.409 -1.262 -4.177 378 H ASN 114 HN ASN 114 3.458 0.873 -3.375 379 HA ASN 114 HA ASN 114 5.303 2.998 -2.566 380 1HB ASN 114 2HB ASN 114 5.567 3.279 -5.078 381 2HB ASN 114 3HB ASN 114 6.150 1.761 -4.406 382 1HD2 ASN 114 1HD2 ASN 114 5.957 0.614 -6.288 383 2HD2 ASN 114 2HD2 ASN 114 4.435 0.208 -6.995 384 H PHE 115 HN PHE 115 2.469 3.128 -1.956 385 HA PHE 115 HA PHE 115 1.704 5.482 -3.566 386 1HB PHE 115 2HB PHE 115 0.325 3.098 -3.239 387 2HB PHE 115 3HB PHE 115 -0.469 4.188 -2.118 388 HD1 PHE 115 1HD PHE 115 -1.344 6.399 -3.025 389 HD2 PHE 115 2HD PHE 115 -0.144 3.163 -5.512 390 HE1 PHE 115 1HE PHE 115 -2.692 7.312 -4.861 391 HE2 PHE 115 2HE PHE 115 -1.488 4.075 -7.353 392 HZ PHE 115 HZ PHE 115 -2.763 6.156 -7.034 393 H VAL 116 HN VAL 116 2.084 4.117 -0.377 394 HA VAL 116 HA VAL 116 1.110 6.629 0.801 395 HB VAL 116 HB VAL 116 0.847 5.342 2.905 396 1HG1 VAL 116 1HG1 VAL 116 -0.669 4.870 0.423 397 2HG1 VAL 116 2HG1 VAL 116 -1.019 3.795 1.776 398 3HG1 VAL 116 3HG1 VAL 116 -1.193 5.539 1.968 399 1HG2 VAL 116 1HG2 VAL 116 2.352 3.531 2.680 400 2HG2 VAL 116 2HG2 VAL 116 0.740 2.819 2.615 401 3HG2 VAL 116 3HG2 VAL 116 1.661 3.051 1.130 402 H ALA 117 HN ALA 117 2.196 7.635 2.437 403 HA ALA 117 HA ALA 117 4.904 6.730 3.094 404 1HB ALA 117 1HB ALA 117 5.212 9.456 2.955 405 2HB ALA 117 2HB ALA 117 5.747 8.305 1.731 406 3HB ALA 117 3HB ALA 117 4.190 9.116 1.559 407 H LYS 118 HN LYS 118 5.513 7.215 5.195 408 HA LYS 118 HA LYS 118 3.745 7.339 7.212 409 1HB LYS 118 2HB LYS 118 6.452 8.680 7.165 410 2HB LYS 118 3HB LYS 118 5.529 8.350 8.625 411 1HG LYS 118 2HG LYS 118 6.755 6.372 6.727 412 2HG LYS 118 3HG LYS 118 7.136 6.633 8.431 413 1HD LYS 118 2HD LYS 118 4.884 5.861 9.034 414 2HD LYS 118 3HD LYS 118 4.537 5.571 7.329 415 1HE LYS 118 2HE LYS 118 5.228 3.479 7.798 416 2HE LYS 118 3HE LYS 118 6.836 4.176 7.615 417 1HZ LYS 118 1HZ LYS 118 6.519 4.696 10.135 418 2HZ LYS 118 2HZ LYS 118 7.020 3.159 9.636 419 3HZ LYS 118 3HZ LYS 118 5.405 3.424 10.062 420 H ALA 119 HN ALA 119 2.549 8.780 8.342 421 HA ALA 119 HA ALA 119 1.844 11.240 7.090 422 1HB ALA 119 1HB ALA 119 1.007 9.827 9.578 423 2HB ALA 119 2HB ALA 119 0.657 11.547 9.438 424 3HB ALA 119 3HB ALA 119 0.034 10.427 8.229 425 H ASN 120 HN ASN 120 4.435 11.608 7.316 426 HA ASN 120 HA ASN 120 5.001 13.098 9.765 427 1HB ASN 120 2HB ASN 120 6.593 11.410 8.463 428 2HB ASN 120 3HB ASN 120 6.997 12.868 7.560 429 1HD2 ASN 120 1HD2 ASN 120 8.935 11.638 8.963 430 2HD2 ASN 120 2HD2 ASN 120 9.366 12.571 10.351 Start of MODEL 10 1 H ASN 64 HN ASN 64 1.230 3.032 12.926 2 HA ASN 64 HA ASN 64 3.408 2.274 11.270 3 1HB ASN 64 2HB ASN 64 1.333 0.208 11.911 4 2HB ASN 64 3HB ASN 64 1.983 0.284 10.281 5 1HD2 ASN 64 1HD2 ASN 64 2.274 -1.912 11.963 6 2HD2 ASN 64 2HD2 ASN 64 3.951 -2.102 12.329 7 H LEU 65 HN LEU 65 1.287 4.311 11.644 8 HA LEU 65 HA LEU 65 -0.448 3.945 9.383 9 1HB LEU 65 2HB LEU 65 -1.451 5.046 11.172 10 2HB LEU 65 3HB LEU 65 -0.123 6.160 11.373 11 HG LEU 65 HG LEU 65 -0.727 7.212 9.254 12 1HD1 LEU 65 1HD1 LEU 65 -2.292 4.855 8.970 13 2HD1 LEU 65 2HD1 LEU 65 -3.339 6.269 8.851 14 3HD1 LEU 65 3HD1 LEU 65 -1.946 6.110 7.778 15 1HD2 LEU 65 1HD2 LEU 65 -2.956 7.005 11.267 16 2HD2 LEU 65 2HD2 LEU 65 -1.632 8.170 11.271 17 3HD2 LEU 65 3HD2 LEU 65 -2.859 8.233 10.005 18 H VAL 66 HN VAL 66 -0.459 4.966 7.546 19 HA VAL 66 HA VAL 66 1.872 6.615 6.824 20 HB VAL 66 HB VAL 66 1.470 5.635 4.512 21 1HG1 VAL 66 1HG1 VAL 66 2.668 4.145 6.808 22 2HG1 VAL 66 2HG1 VAL 66 2.758 3.512 5.163 23 3HG1 VAL 66 3HG1 VAL 66 3.481 5.074 5.548 24 1HG2 VAL 66 1HG2 VAL 66 0.539 3.341 4.504 25 2HG2 VAL 66 2HG2 VAL 66 0.027 3.587 6.172 26 3HG2 VAL 66 3HG2 VAL 66 -0.657 4.580 4.886 27 H ILE 67 HN ILE 67 1.339 7.530 4.470 28 HA ILE 67 HA ILE 67 -1.396 8.460 4.310 29 HB ILE 67 HB ILE 67 0.739 10.155 5.291 30 1HG1 ILE 67 2HG1 ILE 67 -2.232 10.350 4.902 31 2HG1 ILE 67 3HG1 ILE 67 -1.368 9.990 6.367 32 1HG2 ILE 67 1HG2 ILE 67 1.032 10.899 3.013 33 2HG2 ILE 67 2HG2 ILE 67 -0.711 11.096 2.815 34 3HG2 ILE 67 3HG2 ILE 67 0.176 12.146 3.920 35 1HD1 ILE 67 1HD1 ILE 67 -2.306 12.473 5.446 36 2HD1 ILE 67 2HD1 ILE 67 -1.408 12.125 6.924 37 3HD1 ILE 67 3HD1 ILE 67 -0.542 12.544 5.445 38 H ALA 68 HN ALA 68 -2.083 8.411 2.330 39 HA ALA 68 HA ALA 68 -0.546 7.519 0.187 40 1HB ALA 68 1HB ALA 68 -3.223 7.945 0.631 41 2HB ALA 68 2HB ALA 68 -2.842 9.084 -0.661 42 3HB ALA 68 3HB ALA 68 -2.496 7.369 -0.868 43 H LEU 69 HN LEU 69 0.295 8.497 -1.637 44 HA LEU 69 HA LEU 69 1.049 11.297 -1.256 45 1HB LEU 69 2HB LEU 69 2.163 9.093 -2.979 46 2HB LEU 69 3HB LEU 69 2.695 10.761 -3.110 47 HG LEU 69 HG LEU 69 2.989 8.940 -0.718 48 1HD1 LEU 69 1HD1 LEU 69 4.926 10.130 -2.688 49 2HD1 LEU 69 2HD1 LEU 69 5.429 9.517 -1.114 50 3HD1 LEU 69 3HD1 LEU 69 4.676 8.432 -2.282 51 1HD2 LEU 69 1HD2 LEU 69 2.483 11.107 0.138 52 2HD2 LEU 69 2HD2 LEU 69 4.226 10.872 0.280 53 3HD2 LEU 69 3HD2 LEU 69 3.575 11.881 -1.012 54 H HIS 70 HN HIS 70 -0.851 9.238 -3.287 55 HA HIS 70 HA HIS 70 -1.784 11.573 -4.752 56 1HB HIS 70 2HB HIS 70 -1.724 9.900 -6.848 57 2HB HIS 70 3HB HIS 70 -0.418 11.014 -6.481 58 HD1 HIS 70 1HD HIS 70 -0.981 7.592 -7.272 59 HD2 HIS 70 2HD HIS 70 1.664 9.636 -4.811 60 HE1 HIS 70 1HE HIS 70 0.907 5.989 -6.840 61 HE2 HIS 70 2HE HIS 70 2.441 7.209 -5.256 62 H SER 71 HN SER 71 -3.548 10.610 -6.446 63 HA SER 71 HA SER 71 -5.553 9.443 -4.736 64 1HB SER 71 2HB SER 71 -6.076 9.756 -7.644 65 2HB SER 71 3HB SER 71 -7.081 10.196 -6.264 66 HG SER 71 HG SER 71 -5.440 11.906 -5.919 67 H TYR 72 HN TYR 72 -6.020 7.350 -4.566 68 HA TYR 72 HA TYR 72 -4.813 5.518 -6.526 69 1HB TYR 72 2HB TYR 72 -4.196 5.187 -4.149 70 2HB TYR 72 3HB TYR 72 -5.883 4.870 -3.778 71 HD1 TYR 72 1HD TYR 72 -3.755 3.713 -6.620 72 HD2 TYR 72 2HD TYR 72 -6.043 2.631 -3.204 73 HE1 TYR 72 1HE TYR 72 -3.443 1.339 -7.171 74 HE2 TYR 72 2HE TYR 72 -5.733 0.253 -3.742 75 HH TYR 72 HH TYR 72 -5.127 -0.972 -6.352 76 H GLU 73 HN GLU 73 -5.930 3.886 -7.501 77 HA GLU 73 HA GLU 73 -8.822 3.765 -7.132 78 1HB GLU 73 2HB GLU 73 -7.464 4.814 -9.381 79 2HB GLU 73 3HB GLU 73 -8.252 3.328 -9.866 80 1HG GLU 73 2HG GLU 73 -10.376 4.147 -9.231 81 2HG GLU 73 3HG GLU 73 -9.657 5.517 -8.385 82 HA PRO 74 HA PRO 74 -7.195 -0.430 -6.304 83 1HB PRO 74 2HB PRO 74 -9.995 -1.145 -6.312 84 2HB PRO 74 3HB PRO 74 -8.875 -1.072 -4.953 85 1HG PRO 74 2HG PRO 74 -10.832 0.923 -5.864 86 2HG PRO 74 3HG PRO 74 -10.075 0.729 -4.275 87 1HD PRO 74 2HD PRO 74 -9.434 2.771 -5.933 88 2HD PRO 74 3HD PRO 74 -8.234 2.004 -4.865 89 H SER 75 HN SER 75 -6.527 -1.743 -7.837 90 HA SER 75 HA SER 75 -8.236 -2.181 -10.197 91 1HB SER 75 2HB SER 75 -5.773 -2.822 -11.128 92 2HB SER 75 3HB SER 75 -6.478 -1.212 -11.272 93 HG SER 75 HG SER 75 -4.649 -2.143 -9.318 94 H HIS 76 HN HIS 76 -5.894 -3.595 -7.963 95 HA HIS 76 HA HIS 76 -6.326 -6.266 -8.985 96 1HB HIS 76 2HB HIS 76 -4.529 -5.002 -6.984 97 2HB HIS 76 3HB HIS 76 -4.941 -6.694 -6.717 98 HD1 HIS 76 1HD HIS 76 -4.517 -5.341 -10.185 99 HD2 HIS 76 2HD HIS 76 -2.395 -7.592 -7.410 100 HE1 HIS 76 1HE HIS 76 -2.556 -6.288 -11.444 101 HE2 HIS 76 2HE HIS 76 -1.326 -7.703 -9.763 102 H ASP 77 HN ASP 77 -7.094 -8.026 -7.638 103 HA ASP 77 HA ASP 77 -9.543 -7.417 -6.367 104 1HB ASP 77 2HB ASP 77 -8.776 -9.607 -7.533 105 2HB ASP 77 3HB ASP 77 -8.090 -10.017 -5.964 106 H GLY 78 HN GLY 78 -10.159 -7.547 -4.197 107 1HA GLY 78 1HA GLY 78 -9.919 -7.261 -1.929 108 2HA GLY 78 2HA GLY 78 -8.472 -8.245 -2.064 109 H ASP 79 HN ASP 79 -8.954 -5.169 -3.707 110 HA ASP 79 HA ASP 79 -6.675 -4.113 -2.197 111 1HB ASP 79 2HB ASP 79 -7.872 -3.321 -4.852 112 2HB ASP 79 3HB ASP 79 -6.620 -2.385 -4.042 113 H LEU 80 HN LEU 80 -6.692 -1.899 -1.520 114 HA LEU 80 HA LEU 80 -9.392 -0.936 -0.849 115 1HB LEU 80 2HB LEU 80 -8.514 -1.390 1.222 116 2HB LEU 80 3HB LEU 80 -6.865 -1.108 0.710 117 HG LEU 80 HG LEU 80 -7.622 1.396 0.622 118 1HD1 LEU 80 1HD1 LEU 80 -9.860 1.463 1.061 119 2HD1 LEU 80 2HD1 LEU 80 -9.805 0.055 2.121 120 3HD1 LEU 80 3HD1 LEU 80 -9.232 1.619 2.703 121 1HD2 LEU 80 1HD2 LEU 80 -6.744 -0.316 2.856 122 2HD2 LEU 80 2HD2 LEU 80 -5.965 1.087 2.126 123 3HD2 LEU 80 3HD2 LEU 80 -7.285 1.309 3.275 124 H GLY 81 HN GLY 81 -9.962 0.960 -1.698 125 1HA GLY 81 1HA GLY 81 -7.932 2.528 -3.086 126 2HA GLY 81 2HA GLY 81 -9.665 2.722 -3.245 127 H PHE 82 HN PHE 82 -7.413 4.618 -2.652 128 HA PHE 82 HA PHE 82 -8.751 5.958 -0.432 129 1HB PHE 82 2HB PHE 82 -6.355 6.607 0.365 130 2HB PHE 82 3HB PHE 82 -7.038 5.059 0.837 131 HD1 PHE 82 1HD PHE 82 -6.428 3.028 -0.653 132 HD2 PHE 82 2HD PHE 82 -4.291 6.701 -0.652 133 HE1 PHE 82 1HE PHE 82 -4.473 1.891 -1.626 134 HE2 PHE 82 2HE PHE 82 -2.326 5.565 -1.618 135 HZ PHE 82 HZ PHE 82 -2.421 3.157 -2.102 136 H GLU 83 HN GLU 83 -7.563 8.204 -0.130 137 HA GLU 83 HA GLU 83 -7.394 9.356 -2.832 138 1HB GLU 83 2HB GLU 83 -8.733 10.140 -0.372 139 2HB GLU 83 3HB GLU 83 -7.742 11.436 -1.022 140 1HG GLU 83 2HG GLU 83 -9.065 10.453 -3.233 141 2HG GLU 83 3HG GLU 83 -10.270 10.376 -1.950 142 H LYS 84 HN LYS 84 -6.119 11.537 -2.756 143 HA LYS 84 HA LYS 84 -3.431 10.879 -2.011 144 1HB LYS 84 2HB LYS 84 -3.550 12.098 -3.991 145 2HB LYS 84 3HB LYS 84 -4.763 13.194 -3.361 146 1HG LYS 84 2HG LYS 84 -2.830 13.948 -1.767 147 2HG LYS 84 3HG LYS 84 -1.803 13.219 -2.999 148 1HD LYS 84 2HD LYS 84 -3.945 15.084 -3.873 149 2HD LYS 84 3HD LYS 84 -2.512 15.766 -3.104 150 1HE LYS 84 2HE LYS 84 -1.560 13.882 -4.947 151 2HE LYS 84 3HE LYS 84 -2.849 14.754 -5.778 152 1HZ LYS 84 1HZ LYS 84 -1.665 16.648 -5.809 153 2HZ LYS 84 2HZ LYS 84 -0.336 15.617 -5.631 154 3HZ LYS 84 3HZ LYS 84 -0.987 16.398 -4.279 155 H GLY 85 HN GLY 85 -2.379 11.417 -0.195 156 1HA GLY 85 1HA GLY 85 -1.873 12.575 1.772 157 2HA GLY 85 2HA GLY 85 -3.249 13.639 1.467 158 H GLU 86 HN GLU 86 -4.603 10.774 1.016 159 HA GLU 86 HA GLU 86 -6.042 10.707 3.402 160 1HB GLU 86 2HB GLU 86 -6.265 9.495 0.979 161 2HB GLU 86 3HB GLU 86 -5.681 8.157 1.948 162 1HG GLU 86 2HG GLU 86 -8.297 9.037 1.647 163 2HG GLU 86 3HG GLU 86 -7.698 7.787 2.715 164 H GLN 87 HN GLN 87 -6.083 8.814 4.906 165 HA GLN 87 HA GLN 87 -3.353 7.854 5.421 166 1HB GLN 87 2HB GLN 87 -5.308 8.462 7.617 167 2HB GLN 87 3HB GLN 87 -3.585 8.167 7.748 168 1HG GLN 87 2HG GLN 87 -3.039 10.279 7.261 169 2HG GLN 87 3HG GLN 87 -4.319 10.445 6.064 170 1HE2 GLN 87 1HE2 GLN 87 -4.370 9.682 9.523 171 2HE2 GLN 87 2HE2 GLN 87 -5.423 10.975 9.972 172 H LEU 88 HN LEU 88 -3.108 5.856 6.228 173 HA LEU 88 HA LEU 88 -5.429 4.143 6.645 174 1HB LEU 88 2HB LEU 88 -3.317 2.984 4.927 175 2HB LEU 88 3HB LEU 88 -5.035 2.649 4.972 176 HG LEU 88 HG LEU 88 -4.436 5.318 3.950 177 1HD1 LEU 88 1HD1 LEU 88 -2.525 3.585 3.226 178 2HD1 LEU 88 2HD1 LEU 88 -3.743 3.222 2.000 179 3HD1 LEU 88 3HD1 LEU 88 -3.130 4.867 2.172 180 1HD2 LEU 88 1HD2 LEU 88 -5.901 2.969 2.765 181 2HD2 LEU 88 2HD2 LEU 88 -6.623 4.152 3.865 182 3HD2 LEU 88 3HD2 LEU 88 -6.033 4.664 2.281 183 H ARG 89 HN ARG 89 -5.095 2.836 8.287 184 HA ARG 89 HA ARG 89 -2.516 2.768 9.540 185 1HB ARG 89 2HB ARG 89 -4.351 2.932 11.021 186 2HB ARG 89 3HB ARG 89 -5.222 1.634 10.215 187 1HG ARG 89 2HG ARG 89 -3.664 0.020 11.032 188 2HG ARG 89 3HG ARG 89 -2.661 1.288 11.720 189 1HD ARG 89 2HD ARG 89 -4.796 1.944 13.006 190 2HD ARG 89 3HD ARG 89 -5.343 0.323 12.613 191 HE ARG 89 HE ARG 89 -2.724 0.478 13.825 192 1HH1 ARG 89 2HH1 ARG 89 -6.154 0.113 14.372 193 2HH1 ARG 89 1HH1 ARG 89 -5.953 -0.646 15.915 194 1HH2 ARG 89 2HH2 ARG 89 -2.461 -0.520 15.856 195 2HH2 ARG 89 1HH2 ARG 89 -3.859 -1.006 16.757 196 H ILE 90 HN ILE 90 -1.075 1.561 8.539 197 HA ILE 90 HA ILE 90 -1.577 -0.621 6.892 198 HB ILE 90 HB ILE 90 1.001 -0.122 8.379 199 1HG1 ILE 90 2HG1 ILE 90 0.174 1.893 7.200 200 2HG1 ILE 90 3HG1 ILE 90 1.664 1.281 6.517 201 1HG2 ILE 90 1HG2 ILE 90 1.918 -1.706 7.115 202 2HG2 ILE 90 2HG2 ILE 90 0.274 -2.191 6.701 203 3HG2 ILE 90 3HG2 ILE 90 1.154 -1.082 5.651 204 1HD1 ILE 90 1HD1 ILE 90 -0.435 0.053 5.110 205 2HD1 ILE 90 2HD1 ILE 90 -0.840 1.763 5.249 206 3HD1 ILE 90 3HD1 ILE 90 0.695 1.276 4.532 207 H LEU 91 HN LEU 91 -2.435 -2.441 7.388 208 HA LEU 91 HA LEU 91 -2.291 -3.615 10.017 209 1HB LEU 91 2HB LEU 91 -3.334 -4.888 7.492 210 2HB LEU 91 3HB LEU 91 -3.798 -5.241 9.145 211 HG LEU 91 HG LEU 91 -4.405 -2.697 7.644 212 1HD1 LEU 91 1HD1 LEU 91 -5.984 -5.163 8.160 213 2HD1 LEU 91 2HD1 LEU 91 -6.805 -3.601 8.085 214 3HD1 LEU 91 3HD1 LEU 91 -5.867 -4.173 6.705 215 1HD2 LEU 91 1HD2 LEU 91 -4.435 -3.327 10.460 216 2HD2 LEU 91 2HD2 LEU 91 -4.689 -1.781 9.650 217 3HD2 LEU 91 3HD2 LEU 91 -6.044 -2.885 9.888 218 H GLU 92 HN GLU 92 -1.192 -4.313 6.762 219 HA GLU 92 HA GLU 92 1.124 -5.721 7.805 220 1HB GLU 92 2HB GLU 92 -1.099 -7.076 6.601 221 2HB GLU 92 3HB GLU 92 0.307 -7.216 5.551 222 1HG GLU 92 2HG GLU 92 1.093 -8.819 6.846 223 2HG GLU 92 3HG GLU 92 1.212 -7.655 8.169 224 H GLN 93 HN GLN 93 2.859 -5.858 6.232 225 HA GLN 93 HA GLN 93 2.478 -4.184 3.876 226 1HB GLN 93 2HB GLN 93 4.882 -3.291 4.628 227 2HB GLN 93 3HB GLN 93 3.385 -2.499 5.079 228 1HG GLN 93 2HG GLN 93 3.386 -3.747 7.169 229 2HG GLN 93 3HG GLN 93 4.905 -4.474 6.699 230 1HE2 GLN 93 1HE2 GLN 93 3.718 -1.151 6.482 231 2HE2 GLN 93 2HE2 GLN 93 5.007 -0.443 7.388 232 H SER 94 HN SER 94 2.747 -6.990 4.014 233 HA SER 94 HA SER 94 5.473 -7.612 3.281 234 1HB SER 94 2HB SER 94 4.828 -9.601 4.064 235 2HB SER 94 3HB SER 94 3.142 -9.098 4.110 236 HG SER 94 HG SER 94 2.792 -10.081 2.265 237 H GLY 95 HN GLY 95 6.265 -7.723 1.279 238 1HA GLY 95 1HA GLY 95 6.333 -7.788 -1.036 239 2HA GLY 95 2HA GLY 95 4.633 -8.215 -1.019 240 H GLU 96 HN GLU 96 5.600 -6.642 -2.944 241 HA GLU 96 HA GLU 96 5.701 -3.925 -2.694 242 1HB GLU 96 2HB GLU 96 6.064 -4.466 -4.846 243 2HB GLU 96 3HB GLU 96 4.954 -5.831 -4.785 244 1HG GLU 96 2HG GLU 96 3.099 -4.426 -5.052 245 2HG GLU 96 3HG GLU 96 4.094 -2.979 -4.928 246 H TRP 97 HN TRP 97 2.947 -5.940 -2.141 247 HA TRP 97 HA TRP 97 1.206 -3.572 -2.104 248 1HB TRP 97 2HB TRP 97 0.632 -6.503 -2.466 249 2HB TRP 97 3HB TRP 97 -0.634 -5.359 -2.038 250 HD1 TRP 97 1HD TRP 97 1.711 -6.281 -4.923 251 HE1 TRP 97 1HE TRP 97 0.848 -5.163 -7.075 252 HE3 TRP 97 3HE TRP 97 -2.017 -3.425 -2.915 253 HZ2 TRP 97 2HZ TRP 97 -1.150 -3.309 -7.820 254 HZ3 TRP 97 3HZ TRP 97 -3.353 -2.005 -4.404 255 HH2 TRP 97 2HH TRP 97 -2.927 -1.946 -6.808 256 H TRP 98 HN TRP 98 0.697 -2.757 -0.182 257 HA TRP 98 HA TRP 98 1.087 -4.419 2.201 258 1HB TRP 98 2HB TRP 98 1.003 -1.429 1.836 259 2HB TRP 98 3HB TRP 98 1.049 -2.218 3.404 260 HD1 TRP 98 1HD TRP 98 3.162 -4.263 1.288 261 HE1 TRP 98 1HE TRP 98 5.648 -3.655 1.574 262 HE3 TRP 98 3HE TRP 98 2.602 0.190 3.675 263 HZ2 TRP 98 2HZ TRP 98 7.171 -1.527 2.670 264 HZ3 TRP 98 3HZ TRP 98 4.607 1.469 4.310 265 HH2 TRP 98 2HH TRP 98 6.848 0.623 3.820 266 H LYS 99 HN LYS 99 -0.461 -4.677 3.736 267 HA LYS 99 HA LYS 99 -3.198 -4.122 2.927 268 1HB LYS 99 2HB LYS 99 -2.707 -6.351 3.791 269 2HB LYS 99 3HB LYS 99 -2.056 -5.660 5.268 270 1HG LYS 99 2HG LYS 99 -4.447 -6.639 5.275 271 2HG LYS 99 3HG LYS 99 -4.135 -5.108 6.095 272 1HD LYS 99 2HD LYS 99 -5.120 -3.859 4.425 273 2HD LYS 99 3HD LYS 99 -5.031 -5.171 3.247 274 1HE LYS 99 2HE LYS 99 -6.560 -6.028 5.508 275 2HE LYS 99 3HE LYS 99 -7.182 -4.481 4.940 276 1HZ LYS 99 1HZ LYS 99 -6.826 -5.855 2.645 277 2HZ LYS 99 2HZ LYS 99 -8.295 -5.717 3.472 278 3HZ LYS 99 3HZ LYS 99 -7.318 -7.076 3.708 279 H ALA 100 HN ALA 100 -4.046 -2.198 3.479 280 HA ALA 100 HA ALA 100 -3.233 -1.049 6.070 281 1HB ALA 100 1HB ALA 100 -2.606 0.102 3.766 282 2HB ALA 100 2HB ALA 100 -4.240 0.752 3.938 283 3HB ALA 100 3HB ALA 100 -3.037 1.039 5.199 284 H GLN 101 HN GLN 101 -4.763 -0.093 7.346 285 HA GLN 101 HA GLN 101 -7.545 -0.591 6.533 286 1HB GLN 101 2HB GLN 101 -7.034 -1.869 8.499 287 2HB GLN 101 3HB GLN 101 -6.302 -0.487 9.289 288 1HG GLN 101 2HG GLN 101 -8.584 0.571 9.094 289 2HG GLN 101 3HG GLN 101 -9.195 -1.023 8.721 290 1HE2 GLN 101 1HE2 GLN 101 -7.606 0.946 11.139 291 2HE2 GLN 101 2HE2 GLN 101 -8.006 -0.046 12.494 292 H SER 102 HN SER 102 -8.417 1.213 5.825 293 HA SER 102 HA SER 102 -7.447 3.762 6.068 294 1HB SER 102 2HB SER 102 -9.858 2.480 5.153 295 2HB SER 102 3HB SER 102 -10.226 3.994 5.941 296 HG SER 102 HG SER 102 -9.506 3.808 3.531 297 H LEU 103 HN LEU 103 -8.561 5.615 7.221 298 HA LEU 103 HA LEU 103 -9.285 4.761 9.947 299 1HB LEU 103 2HB LEU 103 -7.383 6.893 9.067 300 2HB LEU 103 3HB LEU 103 -8.107 6.899 10.662 301 HG LEU 103 HG LEU 103 -7.204 4.332 10.506 302 1HD1 LEU 103 1HD1 LEU 103 -5.383 6.068 8.884 303 2HD1 LEU 103 2HD1 LEU 103 -4.829 4.596 9.685 304 3HD1 LEU 103 3HD1 LEU 103 -6.097 4.512 8.461 305 1HD2 LEU 103 1HD2 LEU 103 -5.311 6.445 11.433 306 2HD2 LEU 103 2HD2 LEU 103 -6.857 6.223 12.255 307 3HD2 LEU 103 3HD2 LEU 103 -5.710 4.883 12.160 308 H THR 104 HN THR 104 -9.949 6.853 7.301 309 HA THR 104 HA THR 104 -11.755 8.542 8.798 310 HB THR 104 HB THR 104 -11.676 8.335 5.804 311 HG1 THR 104 1HG THR 104 -9.760 9.202 5.701 312 1HG2 THR 104 1HG2 THR 104 -13.241 9.891 6.506 313 2HG2 THR 104 2HG2 THR 104 -11.814 10.844 6.092 314 3HG2 THR 104 3HG2 THR 104 -12.188 10.502 7.782 315 H THR 105 HN THR 105 -11.809 5.917 6.523 316 HA THR 105 HA THR 105 -14.702 5.511 6.863 317 HB THR 105 HB THR 105 -14.736 4.693 4.738 318 HG1 THR 105 1HG THR 105 -12.000 4.019 4.876 319 1HG2 THR 105 1HG2 THR 105 -12.248 6.353 4.609 320 2HG2 THR 105 2HG2 THR 105 -13.906 6.938 4.444 321 3HG2 THR 105 3HG2 THR 105 -13.223 5.865 3.221 322 H GLY 106 HN GLY 106 -11.567 4.121 6.959 323 1HA GLY 106 1HA GLY 106 -10.670 2.469 8.199 324 2HA GLY 106 2HA GLY 106 -12.251 2.088 8.823 325 H GLN 107 HN GLN 107 -12.542 2.185 5.534 326 HA GLN 107 HA GLN 107 -13.037 -0.470 5.171 327 1HB GLN 107 2HB GLN 107 -12.363 1.785 3.402 328 2HB GLN 107 3HB GLN 107 -12.397 0.175 2.708 329 1HG GLN 107 2HG GLN 107 -14.576 0.522 2.455 330 2HG GLN 107 3HG GLN 107 -14.662 0.219 4.190 331 1HE2 GLN 107 1HE2 GLN 107 -14.065 2.846 1.884 332 2HE2 GLN 107 2HE2 GLN 107 -14.909 4.058 2.781 333 H GLU 108 HN GLU 108 -11.849 -2.203 5.148 334 HA GLU 108 HA GLU 108 -8.952 -1.955 5.115 335 1HB GLU 108 2HB GLU 108 -10.713 -4.349 5.623 336 2HB GLU 108 3HB GLU 108 -8.971 -4.327 5.779 337 1HG GLU 108 2HG GLU 108 -9.093 -3.517 7.819 338 2HG GLU 108 3HG GLU 108 -10.136 -2.196 7.304 339 H GLY 109 HN GLY 109 -7.578 -2.987 3.700 340 1HA GLY 109 1HA GLY 109 -8.226 -4.807 1.712 341 2HA GLY 109 2HA GLY 109 -8.477 -3.215 1.014 342 H PHE 110 HN PHE 110 -6.683 -4.518 -0.294 343 HA PHE 110 HA PHE 110 -4.039 -4.134 0.833 344 1HB PHE 110 2HB PHE 110 -5.224 -5.653 -1.398 345 2HB PHE 110 3HB PHE 110 -3.629 -4.997 -1.710 346 HD1 PHE 110 1HD PHE 110 -5.218 -6.465 1.323 347 HD2 PHE 110 2HD PHE 110 -2.056 -6.666 -1.520 348 HE1 PHE 110 1HE PHE 110 -4.217 -8.337 2.570 349 HE2 PHE 110 2HE PHE 110 -1.052 -8.538 -0.279 350 HZ PHE 110 HZ PHE 110 -2.133 -9.375 1.770 351 H ILE 111 HN ILE 111 -2.553 -2.651 0.111 352 HA ILE 111 HA ILE 111 -3.411 -0.817 -2.023 353 HB ILE 111 HB ILE 111 -2.580 1.102 -0.737 354 1HG1 ILE 111 2HG1 ILE 111 -2.529 -0.565 1.750 355 2HG1 ILE 111 3HG1 ILE 111 -1.129 -0.561 0.691 356 1HG2 ILE 111 1HG2 ILE 111 -4.984 0.228 -0.665 357 2HG2 ILE 111 2HG2 ILE 111 -4.599 -0.298 0.976 358 3HG2 ILE 111 3HG2 ILE 111 -4.491 1.411 0.545 359 1HD1 ILE 111 1HD1 ILE 111 -2.210 1.591 2.401 360 2HD1 ILE 111 2HD1 ILE 111 -0.540 1.110 2.088 361 3HD1 ILE 111 3HD1 ILE 111 -1.428 2.049 0.887 362 HA PRO 112 HA PRO 112 0.595 -1.240 -3.750 363 1HB PRO 112 2HB PRO 112 0.876 1.399 -4.599 364 2HB PRO 112 3HB PRO 112 0.093 0.107 -5.511 365 1HG PRO 112 2HG PRO 112 -1.125 2.244 -3.845 366 2HG PRO 112 3HG PRO 112 -1.723 1.497 -5.326 367 1HD PRO 112 2HD PRO 112 -2.714 0.896 -2.905 368 2HD PRO 112 3HD PRO 112 -2.619 -0.289 -4.213 369 H PHE 113 HN PHE 113 2.294 -1.432 -2.388 370 HA PHE 113 HA PHE 113 2.759 0.112 -0.134 371 1HB PHE 113 2HB PHE 113 4.712 -1.099 0.164 372 2HB PHE 113 3HB PHE 113 3.761 -2.175 -0.853 373 HD1 PHE 113 1HD PHE 113 6.896 -1.710 -0.341 374 HD2 PHE 113 2HD PHE 113 4.179 -0.853 -3.500 375 HE1 PHE 113 1HE PHE 113 8.752 -1.788 -1.953 376 HE2 PHE 113 2HE PHE 113 6.030 -0.928 -5.118 377 HZ PHE 113 HZ PHE 113 8.320 -1.396 -4.345 378 H ASN 114 HN ASN 114 3.431 0.912 -3.411 379 HA ASN 114 HA ASN 114 5.303 3.017 -2.602 380 1HB ASN 114 2HB ASN 114 5.552 3.296 -5.130 381 2HB ASN 114 3HB ASN 114 6.179 1.806 -4.434 382 1HD2 ASN 114 1HD2 ASN 114 6.006 1.105 -6.693 383 2HD2 ASN 114 2HD2 ASN 114 4.500 0.458 -7.239 384 H PHE 115 HN PHE 115 2.488 3.165 -1.987 385 HA PHE 115 HA PHE 115 1.714 5.504 -3.612 386 1HB PHE 115 2HB PHE 115 0.329 3.127 -3.250 387 2HB PHE 115 3HB PHE 115 -0.449 4.232 -2.133 388 HD1 PHE 115 1HD PHE 115 -0.170 3.164 -5.515 389 HD2 PHE 115 2HD PHE 115 -1.308 6.446 -3.060 390 HE1 PHE 115 1HE PHE 115 -1.527 4.061 -7.351 391 HE2 PHE 115 2HE PHE 115 -2.664 7.349 -4.895 392 HZ PHE 115 HZ PHE 115 -2.775 6.162 -7.049 393 H VAL 116 HN VAL 116 2.008 4.122 -0.408 394 HA VAL 116 HA VAL 116 1.086 6.653 0.761 395 HB VAL 116 HB VAL 116 0.812 5.385 2.863 396 1HG1 VAL 116 1HG1 VAL 116 -0.671 4.835 0.373 397 2HG1 VAL 116 2HG1 VAL 116 -1.022 3.795 1.754 398 3HG1 VAL 116 3HG1 VAL 116 -1.220 5.542 1.893 399 1HG2 VAL 116 1HG2 VAL 116 0.688 2.742 2.010 400 2HG2 VAL 116 2HG2 VAL 116 2.200 3.349 1.339 401 3HG2 VAL 116 3HG2 VAL 116 1.905 3.448 3.075 402 H ALA 117 HN ALA 117 2.169 7.653 2.403 403 HA ALA 117 HA ALA 117 4.883 6.760 3.048 404 1HB ALA 117 1HB ALA 117 4.128 9.211 1.598 405 2HB ALA 117 2HB ALA 117 5.256 9.444 2.935 406 3HB ALA 117 3HB ALA 117 5.659 8.333 1.625 407 H LYS 118 HN LYS 118 5.470 7.191 5.158 408 HA LYS 118 HA LYS 118 3.691 7.323 7.166 409 1HB LYS 118 2HB LYS 118 6.430 8.594 7.143 410 2HB LYS 118 3HB LYS 118 5.489 8.299 8.597 411 1HG LYS 118 2HG LYS 118 6.703 6.291 6.727 412 2HG LYS 118 3HG LYS 118 7.019 6.524 8.449 413 1HD LYS 118 2HD LYS 118 4.733 5.798 8.955 414 2HD LYS 118 3HD LYS 118 4.435 5.549 7.235 415 1HE LYS 118 2HE LYS 118 6.585 4.135 8.806 416 2HE LYS 118 3HE LYS 118 4.984 3.464 8.491 417 1HZ LYS 118 1HZ LYS 118 5.418 3.290 6.230 418 2HZ LYS 118 2HZ LYS 118 6.882 2.821 6.936 419 3HZ LYS 118 3HZ LYS 118 6.720 4.371 6.280 420 H ALA 119 HN ALA 119 2.516 8.768 8.307 421 HA ALA 119 HA ALA 119 1.858 11.255 7.086 422 1HB ALA 119 1HB ALA 119 1.002 9.838 9.568 423 2HB ALA 119 2HB ALA 119 0.661 11.560 9.420 424 3HB ALA 119 3HB ALA 119 0.036 10.436 8.214 425 H ASN 120 HN ASN 120 4.447 11.582 7.313 426 HA ASN 120 HA ASN 120 4.732 13.553 9.472 427 1HB ASN 120 2HB ASN 120 6.184 11.112 9.244 428 2HB ASN 120 3HB ASN 120 7.299 12.434 8.916 429 1HD2 ASN 120 1HD2 ASN 120 8.450 12.535 10.734 430 2HD2 ASN 120 2HD2 ASN 120 7.794 12.782 12.312 Start of MODEL 11 1 H ASN 64 HN ASN 64 1.162 2.874 12.861 2 HA ASN 64 HA ASN 64 3.382 2.205 11.236 3 1HB ASN 64 2HB ASN 64 1.341 0.072 11.748 4 2HB ASN 64 3HB ASN 64 2.013 0.227 10.132 5 1HD2 ASN 64 1HD2 ASN 64 2.325 -2.022 11.763 6 2HD2 ASN 64 2HD2 ASN 64 4.003 -2.191 12.135 7 H LEU 65 HN LEU 65 1.237 4.200 11.618 8 HA LEU 65 HA LEU 65 -0.449 3.885 9.312 9 1HB LEU 65 2HB LEU 65 -1.500 4.921 11.111 10 2HB LEU 65 3HB LEU 65 -0.189 6.041 11.374 11 HG LEU 65 HG LEU 65 -0.760 7.153 9.279 12 1HD1 LEU 65 1HD1 LEU 65 -1.927 6.082 7.739 13 2HD1 LEU 65 2HD1 LEU 65 -2.286 4.787 8.884 14 3HD1 LEU 65 3HD1 LEU 65 -3.347 6.191 8.781 15 1HD2 LEU 65 1HD2 LEU 65 -2.898 8.144 10.012 16 2HD2 LEU 65 2HD2 LEU 65 -3.056 6.854 11.203 17 3HD2 LEU 65 3HD2 LEU 65 -1.729 8.009 11.327 18 H VAL 66 HN VAL 66 -0.430 4.956 7.504 19 HA VAL 66 HA VAL 66 1.882 6.672 6.888 20 HB VAL 66 HB VAL 66 1.590 5.730 4.545 21 1HG1 VAL 66 1HG1 VAL 66 3.571 5.230 5.716 22 2HG1 VAL 66 2HG1 VAL 66 2.722 4.161 6.834 23 3HG1 VAL 66 3HG1 VAL 66 2.954 3.676 5.155 24 1HG2 VAL 66 1HG2 VAL 66 0.753 3.381 4.494 25 2HG2 VAL 66 2HG2 VAL 66 0.116 3.639 6.118 26 3HG2 VAL 66 3HG2 VAL 66 -0.497 4.595 4.770 27 H ILE 67 HN ILE 67 1.403 7.610 4.532 28 HA ILE 67 HA ILE 67 -1.346 8.484 4.298 29 HB ILE 67 HB ILE 67 0.726 10.189 5.377 30 1HG1 ILE 67 2HG1 ILE 67 -2.225 10.384 4.868 31 2HG1 ILE 67 3HG1 ILE 67 -1.424 9.984 6.359 32 1HG2 ILE 67 1HG2 ILE 67 -0.630 11.153 2.859 33 2HG2 ILE 67 2HG2 ILE 67 0.201 12.195 4.013 34 3HG2 ILE 67 3HG2 ILE 67 1.104 10.969 3.122 35 1HD1 ILE 67 1HD1 ILE 67 -0.565 12.562 5.517 36 2HD1 ILE 67 2HD1 ILE 67 -2.329 12.489 5.487 37 3HD1 ILE 67 3HD1 ILE 67 -1.454 12.105 6.970 38 H ALA 68 HN ALA 68 -1.973 8.474 2.288 39 HA ALA 68 HA ALA 68 -0.291 7.652 0.198 40 1HB ALA 68 1HB ALA 68 -2.199 7.287 -0.884 41 2HB ALA 68 2HB ALA 68 -3.012 7.837 0.581 42 3HB ALA 68 3HB ALA 68 -2.701 8.970 -0.733 43 H LEU 69 HN LEU 69 0.360 8.686 -1.698 44 HA LEU 69 HA LEU 69 0.604 11.617 -1.499 45 1HB LEU 69 2HB LEU 69 2.560 9.571 -2.538 46 2HB LEU 69 3HB LEU 69 2.736 11.295 -2.815 47 HG LEU 69 HG LEU 69 2.717 9.956 -0.106 48 1HD1 LEU 69 1HD1 LEU 69 5.127 10.959 -0.182 49 2HD1 LEU 69 2HD1 LEU 69 4.798 9.401 -0.940 50 3HD1 LEU 69 3HD1 LEU 69 4.910 10.859 -1.929 51 1HD2 LEU 69 1HD2 LEU 69 1.796 12.171 0.046 52 2HD2 LEU 69 2HD2 LEU 69 3.440 12.196 0.684 53 3HD2 LEU 69 3HD2 LEU 69 3.111 12.829 -0.928 54 H HIS 70 HN HIS 70 -1.217 9.543 -2.981 55 HA HIS 70 HA HIS 70 -1.623 11.121 -5.308 56 1HB HIS 70 2HB HIS 70 -1.203 8.656 -6.577 57 2HB HIS 70 3HB HIS 70 -0.234 10.111 -6.751 58 HD1 HIS 70 1HD HIS 70 1.995 8.927 -7.008 59 HD2 HIS 70 2HD HIS 70 -0.005 7.871 -3.528 60 HE1 HIS 70 1HE HIS 70 3.665 7.647 -5.640 61 HE2 HIS 70 2HE HIS 70 2.485 7.181 -3.466 62 H SER 71 HN SER 71 -3.630 10.754 -6.197 63 HA SER 71 HA SER 71 -5.552 9.414 -4.670 64 1HB SER 71 2HB SER 71 -6.112 9.754 -7.564 65 2HB SER 71 3HB SER 71 -7.077 10.224 -6.167 66 HG SER 71 HG SER 71 -5.365 11.706 -7.626 67 H TYR 72 HN TYR 72 -6.042 7.331 -4.490 68 HA TYR 72 HA TYR 72 -4.943 5.481 -6.491 69 1HB TYR 72 2HB TYR 72 -4.308 5.171 -4.084 70 2HB TYR 72 3HB TYR 72 -5.985 4.784 -3.750 71 HD1 TYR 72 1HD TYR 72 -6.164 2.531 -3.297 72 HD2 TYR 72 2HD TYR 72 -3.685 3.774 -6.522 73 HE1 TYR 72 1HE TYR 72 -5.768 0.181 -3.892 74 HE2 TYR 72 2HE TYR 72 -3.289 1.427 -7.128 75 HH TYR 72 HH TYR 72 -4.563 -0.797 -6.794 76 H GLU 73 HN GLU 73 -6.116 3.867 -7.424 77 HA GLU 73 HA GLU 73 -8.999 3.807 -6.989 78 1HB GLU 73 2HB GLU 73 -7.677 4.847 -9.264 79 2HB GLU 73 3HB GLU 73 -8.508 3.381 -9.740 80 1HG GLU 73 2HG GLU 73 -10.598 4.239 -9.054 81 2HG GLU 73 3HG GLU 73 -9.832 5.580 -8.200 82 HA PRO 74 HA PRO 74 -7.434 -0.425 -6.238 83 1HB PRO 74 2HB PRO 74 -10.246 -1.091 -6.194 84 2HB PRO 74 3HB PRO 74 -9.096 -1.052 -4.857 85 1HG PRO 74 2HG PRO 74 -11.037 0.986 -5.708 86 2HG PRO 74 3HG PRO 74 -10.251 0.765 -4.137 87 1HD PRO 74 2HD PRO 74 -9.608 2.810 -5.789 88 2HD PRO 74 3HD PRO 74 -8.400 2.013 -4.753 89 H SER 75 HN SER 75 -6.812 -1.723 -7.808 90 HA SER 75 HA SER 75 -8.601 -2.141 -10.111 91 1HB SER 75 2HB SER 75 -5.708 -1.491 -9.997 92 2HB SER 75 3HB SER 75 -6.191 -2.700 -11.187 93 HG SER 75 HG SER 75 -6.282 -0.583 -12.042 94 H HIS 76 HN HIS 76 -6.151 -3.542 -7.987 95 HA HIS 76 HA HIS 76 -6.473 -6.191 -9.071 96 1HB HIS 76 2HB HIS 76 -4.782 -4.905 -7.010 97 2HB HIS 76 3HB HIS 76 -5.171 -6.598 -6.727 98 HD1 HIS 76 1HD HIS 76 -3.109 -4.371 -8.838 99 HD2 HIS 76 2HD HIS 76 -4.150 -8.392 -8.695 100 HE1 HIS 76 1HE HIS 76 -1.491 -5.539 -10.367 101 HE2 HIS 76 2HE HIS 76 -2.198 -7.958 -10.336 102 H ASP 77 HN ASP 77 -6.836 -8.006 -7.349 103 HA ASP 77 HA ASP 77 -9.498 -7.604 -6.326 104 1HB ASP 77 2HB ASP 77 -8.313 -9.755 -7.391 105 2HB ASP 77 3HB ASP 77 -7.989 -10.088 -5.693 106 H GLY 78 HN GLY 78 -10.163 -7.579 -4.204 107 1HA GLY 78 1HA GLY 78 -10.018 -7.202 -1.941 108 2HA GLY 78 2HA GLY 78 -8.586 -8.218 -1.975 109 H ASP 79 HN ASP 79 -9.090 -5.123 -3.620 110 HA ASP 79 HA ASP 79 -6.777 -4.081 -2.141 111 1HB ASP 79 2HB ASP 79 -7.960 -3.260 -4.794 112 2HB ASP 79 3HB ASP 79 -6.647 -2.402 -3.994 113 H LEU 80 HN LEU 80 -6.785 -1.908 -1.422 114 HA LEU 80 HA LEU 80 -9.473 -0.910 -0.766 115 1HB LEU 80 2HB LEU 80 -8.532 -1.335 1.292 116 2HB LEU 80 3HB LEU 80 -6.904 -1.015 0.738 117 HG LEU 80 HG LEU 80 -7.522 1.434 0.696 118 1HD1 LEU 80 1HD1 LEU 80 -9.763 1.738 0.770 119 2HD1 LEU 80 2HD1 LEU 80 -10.041 0.271 1.708 120 3HD1 LEU 80 3HD1 LEU 80 -9.469 1.735 2.510 121 1HD2 LEU 80 1HD2 LEU 80 -7.616 -0.019 3.334 122 2HD2 LEU 80 2HD2 LEU 80 -6.162 0.470 2.464 123 3HD2 LEU 80 3HD2 LEU 80 -7.251 1.693 3.119 124 H GLY 81 HN GLY 81 -10.045 1.081 -1.439 125 1HA GLY 81 1HA GLY 81 -8.065 2.571 -2.997 126 2HA GLY 81 2HA GLY 81 -9.800 2.791 -3.075 127 H PHE 82 HN PHE 82 -7.492 4.644 -2.618 128 HA PHE 82 HA PHE 82 -8.701 6.076 -0.390 129 1HB PHE 82 2HB PHE 82 -6.254 6.641 0.336 130 2HB PHE 82 3HB PHE 82 -7.009 5.152 0.879 131 HD1 PHE 82 1HD PHE 82 -4.129 6.537 -0.529 132 HD2 PHE 82 2HD PHE 82 -6.598 3.079 -0.722 133 HE1 PHE 82 1HE PHE 82 -2.247 5.249 -1.473 134 HE2 PHE 82 2HE PHE 82 -4.729 1.796 -1.671 135 HZ PHE 82 HZ PHE 82 -2.552 2.877 -2.040 136 H GLU 83 HN GLU 83 -7.491 8.283 -0.170 137 HA GLU 83 HA GLU 83 -7.245 9.349 -2.902 138 1HB GLU 83 2HB GLU 83 -8.629 10.233 -0.500 139 2HB GLU 83 3HB GLU 83 -7.608 11.491 -1.173 140 1HG GLU 83 2HG GLU 83 -8.895 10.450 -3.378 141 2HG GLU 83 3HG GLU 83 -10.129 10.431 -2.120 142 H LYS 84 HN LYS 84 -5.911 11.482 -2.899 143 HA LYS 84 HA LYS 84 -3.268 10.801 -2.054 144 1HB LYS 84 2HB LYS 84 -3.302 11.993 -4.052 145 2HB LYS 84 3HB LYS 84 -4.510 13.126 -3.473 146 1HG LYS 84 2HG LYS 84 -2.590 13.842 -1.826 147 2HG LYS 84 3HG LYS 84 -1.560 13.104 -3.051 148 1HD LYS 84 2HD LYS 84 -3.665 14.991 -3.953 149 2HD LYS 84 3HD LYS 84 -2.251 15.664 -3.141 150 1HE LYS 84 2HE LYS 84 -1.119 13.901 -4.895 151 2HE LYS 84 3HE LYS 84 -2.511 14.480 -5.808 152 1HZ LYS 84 1HZ LYS 84 -0.234 15.745 -5.858 153 2HZ LYS 84 2HZ LYS 84 -0.830 16.453 -4.442 154 3HZ LYS 84 3HZ LYS 84 -1.698 16.592 -5.887 155 H GLY 85 HN GLY 85 -2.280 11.306 -0.210 156 1HA GLY 85 1HA GLY 85 -1.773 12.523 1.728 157 2HA GLY 85 2HA GLY 85 -3.158 13.566 1.404 158 H GLU 86 HN GLU 86 -4.604 10.810 0.964 159 HA GLU 86 HA GLU 86 -5.999 10.712 3.357 160 1HB GLU 86 2HB GLU 86 -6.250 9.517 0.932 161 2HB GLU 86 3HB GLU 86 -5.672 8.166 1.887 162 1HG GLU 86 2HG GLU 86 -8.284 9.077 1.612 163 2HG GLU 86 3HG GLU 86 -7.690 7.810 2.662 164 H GLN 87 HN GLN 87 -6.057 8.808 4.853 165 HA GLN 87 HA GLN 87 -3.328 7.843 5.373 166 1HB GLN 87 2HB GLN 87 -5.301 8.401 7.566 167 2HB GLN 87 3HB GLN 87 -3.571 8.141 7.695 168 1HG GLN 87 2HG GLN 87 -3.074 10.271 7.254 169 2HG GLN 87 3HG GLN 87 -4.331 10.418 6.031 170 1HE2 GLN 87 1HE2 GLN 87 -3.602 10.623 9.432 171 2HE2 GLN 87 2HE2 GLN 87 -5.017 11.503 9.887 172 H LEU 88 HN LEU 88 -3.081 5.834 6.174 173 HA LEU 88 HA LEU 88 -5.399 4.105 6.551 174 1HB LEU 88 2HB LEU 88 -3.266 2.996 4.822 175 2HB LEU 88 3HB LEU 88 -4.976 2.623 4.871 176 HG LEU 88 HG LEU 88 -4.401 5.314 3.869 177 1HD1 LEU 88 1HD1 LEU 88 -3.774 3.222 1.892 178 2HD1 LEU 88 2HD1 LEU 88 -3.143 4.860 2.057 179 3HD1 LEU 88 3HD1 LEU 88 -2.525 3.569 3.090 180 1HD2 LEU 88 1HD2 LEU 88 -5.884 3.024 2.612 181 2HD2 LEU 88 2HD2 LEU 88 -6.589 4.066 3.856 182 3HD2 LEU 88 3HD2 LEU 88 -6.087 4.753 2.308 183 H ARG 89 HN ARG 89 -5.061 2.776 8.177 184 HA ARG 89 HA ARG 89 -2.483 2.704 9.431 185 1HB ARG 89 2HB ARG 89 -4.322 2.838 10.912 186 2HB ARG 89 3HB ARG 89 -5.180 1.539 10.094 187 1HG ARG 89 2HG ARG 89 -3.601 -0.065 10.890 188 2HG ARG 89 3HG ARG 89 -2.612 1.207 11.591 189 1HD ARG 89 2HD ARG 89 -4.735 1.825 12.898 190 2HD ARG 89 3HD ARG 89 -5.290 0.216 12.474 191 HE ARG 89 HE ARG 89 -2.667 0.349 13.687 192 1HH1 ARG 89 2HH1 ARG 89 -6.096 -0.057 14.217 193 2HH1 ARG 89 1HH1 ARG 89 -5.891 -0.860 15.737 194 1HH2 ARG 89 2HH2 ARG 89 -2.401 -0.707 15.688 195 2HH2 ARG 89 1HH2 ARG 89 -3.797 -1.228 16.572 196 H ILE 90 HN ILE 90 -1.039 1.529 8.401 197 HA ILE 90 HA ILE 90 -1.522 -0.647 6.736 198 HB ILE 90 HB ILE 90 1.056 -0.124 8.219 199 1HG1 ILE 90 2HG1 ILE 90 0.209 1.890 7.062 200 2HG1 ILE 90 3HG1 ILE 90 1.697 1.297 6.358 201 1HG2 ILE 90 1HG2 ILE 90 0.389 -2.216 6.587 202 2HG2 ILE 90 2HG2 ILE 90 1.148 -1.083 5.468 203 3HG2 ILE 90 3HG2 ILE 90 2.027 -1.638 6.893 204 1HD1 ILE 90 1HD1 ILE 90 -0.829 1.766 5.123 205 2HD1 ILE 90 2HD1 ILE 90 0.706 1.309 4.384 206 3HD1 ILE 90 3HD1 ILE 90 -0.401 0.063 4.959 207 H LEU 91 HN LEU 91 -2.381 -2.466 7.245 208 HA LEU 91 HA LEU 91 -2.186 -3.647 9.867 209 1HB LEU 91 2HB LEU 91 -3.279 -4.899 7.353 210 2HB LEU 91 3HB LEU 91 -3.697 -5.284 9.011 211 HG LEU 91 HG LEU 91 -4.358 -2.720 7.563 212 1HD1 LEU 91 1HD1 LEU 91 -5.928 -4.049 6.671 213 2HD1 LEU 91 2HD1 LEU 91 -5.840 -5.231 7.978 214 3HD1 LEU 91 3HD1 LEU 91 -6.738 -3.727 8.204 215 1HD2 LEU 91 1HD2 LEU 91 -4.424 -1.877 9.637 216 2HD2 LEU 91 2HD2 LEU 91 -5.929 -2.782 9.787 217 3HD2 LEU 91 3HD2 LEU 91 -4.422 -3.472 10.391 218 H GLU 92 HN GLU 92 -1.155 -4.380 6.584 219 HA GLU 92 HA GLU 92 1.134 -5.837 7.640 220 1HB GLU 92 2HB GLU 92 -1.089 -7.112 6.401 221 2HB GLU 92 3HB GLU 92 0.285 -7.213 5.305 222 1HG GLU 92 2HG GLU 92 1.087 -8.885 6.497 223 2HG GLU 92 3HG GLU 92 1.273 -7.777 7.860 224 H GLN 93 HN GLN 93 2.970 -5.505 6.508 225 HA GLN 93 HA GLN 93 2.727 -3.971 4.026 226 1HB GLN 93 2HB GLN 93 5.023 -3.014 4.898 227 2HB GLN 93 3HB GLN 93 3.491 -2.312 5.386 228 1HG GLN 93 2HG GLN 93 3.560 -3.817 7.366 229 2HG GLN 93 3HG GLN 93 5.189 -4.221 6.883 230 1HE2 GLN 93 1HE2 GLN 93 6.719 -3.131 7.892 231 2HE2 GLN 93 2HE2 GLN 93 6.577 -1.530 8.525 232 H SER 94 HN SER 94 2.995 -6.772 4.211 233 HA SER 94 HA SER 94 5.770 -7.280 3.442 234 1HB SER 94 2HB SER 94 4.282 -9.658 3.233 235 2HB SER 94 3HB SER 94 5.405 -9.216 4.516 236 HG SER 94 HG SER 94 3.044 -9.742 4.998 237 H GLY 95 HN GLY 95 6.328 -7.281 1.372 238 1HA GLY 95 1HA GLY 95 6.135 -7.878 -0.903 239 2HA GLY 95 2HA GLY 95 4.429 -8.192 -0.646 240 H GLU 96 HN GLU 96 5.481 -6.821 -2.814 241 HA GLU 96 HA GLU 96 5.598 -4.087 -2.758 242 1HB GLU 96 2HB GLU 96 6.004 -4.811 -4.857 243 2HB GLU 96 3HB GLU 96 4.848 -6.130 -4.730 244 1HG GLU 96 2HG GLU 96 3.047 -4.688 -5.143 245 2HG GLU 96 3HG GLU 96 4.083 -3.265 -5.082 246 H TRP 97 HN TRP 97 2.834 -6.056 -2.103 247 HA TRP 97 HA TRP 97 1.109 -3.678 -2.216 248 1HB TRP 97 2HB TRP 97 0.529 -6.609 -2.545 249 2HB TRP 97 3HB TRP 97 -0.747 -5.470 -2.123 250 HD1 TRP 97 1HD TRP 97 1.580 -6.427 -5.004 251 HE1 TRP 97 1HE TRP 97 0.738 -5.295 -7.158 252 HE3 TRP 97 3HE TRP 97 -2.084 -3.486 -2.998 253 HZ2 TRP 97 2HZ TRP 97 -1.218 -3.399 -7.904 254 HZ3 TRP 97 3HZ TRP 97 -3.391 -2.042 -4.491 255 HH2 TRP 97 2HH TRP 97 -2.962 -1.994 -6.894 256 H TRP 98 HN TRP 98 0.855 -2.758 -0.293 257 HA TRP 98 HA TRP 98 1.091 -4.369 2.128 258 1HB TRP 98 2HB TRP 98 1.087 -1.397 1.646 259 2HB TRP 98 3HB TRP 98 1.014 -2.096 3.256 260 HD1 TRP 98 1HD TRP 98 3.188 -4.245 1.245 261 HE1 TRP 98 1HE TRP 98 5.669 -3.722 1.705 262 HE3 TRP 98 3HE TRP 98 2.617 0.186 3.680 263 HZ2 TRP 98 2HZ TRP 98 7.183 -1.666 2.934 264 HZ3 TRP 98 3HZ TRP 98 4.618 1.386 4.465 265 HH2 TRP 98 2HH TRP 98 6.857 0.472 4.102 266 H LYS 99 HN LYS 99 -0.498 -4.738 3.540 267 HA LYS 99 HA LYS 99 -3.215 -4.115 2.758 268 1HB LYS 99 2HB LYS 99 -2.773 -6.345 3.615 269 2HB LYS 99 3HB LYS 99 -2.060 -5.680 5.073 270 1HG LYS 99 2HG LYS 99 -4.471 -6.612 5.144 271 2HG LYS 99 3HG LYS 99 -4.097 -5.102 5.979 272 1HD LYS 99 2HD LYS 99 -5.110 -3.804 4.363 273 2HD LYS 99 3HD LYS 99 -5.094 -5.099 3.162 274 1HE LYS 99 2HE LYS 99 -6.558 -5.939 5.480 275 2HE LYS 99 3HE LYS 99 -7.170 -4.385 4.925 276 1HZ LYS 99 1HZ LYS 99 -6.882 -5.820 2.633 277 2HZ LYS 99 2HZ LYS 99 -8.334 -5.568 3.462 278 3HZ LYS 99 3HZ LYS 99 -7.438 -6.976 3.737 279 H ALA 100 HN ALA 100 -4.031 -2.169 3.299 280 HA ALA 100 HA ALA 100 -3.210 -1.031 5.892 281 1HB ALA 100 1HB ALA 100 -4.230 0.759 3.748 282 2HB ALA 100 2HB ALA 100 -3.049 1.068 5.023 283 3HB ALA 100 3HB ALA 100 -2.586 0.128 3.602 284 H GLN 101 HN GLN 101 -4.729 -0.149 7.213 285 HA GLN 101 HA GLN 101 -7.517 -0.616 6.406 286 1HB GLN 101 2HB GLN 101 -7.001 -1.924 8.349 287 2HB GLN 101 3HB GLN 101 -6.254 -0.559 9.155 288 1HG GLN 101 2HG GLN 101 -8.529 0.520 9.000 289 2HG GLN 101 3HG GLN 101 -9.157 -1.061 8.599 290 1HE2 GLN 101 1HE2 GLN 101 -7.533 0.842 11.048 291 2HE2 GLN 101 2HE2 GLN 101 -7.936 -0.175 12.384 292 H SER 102 HN SER 102 -8.388 1.194 5.726 293 HA SER 102 HA SER 102 -7.429 3.741 5.994 294 1HB SER 102 2HB SER 102 -9.852 2.458 5.104 295 2HB SER 102 3HB SER 102 -10.205 3.972 5.895 296 HG SER 102 HG SER 102 -9.667 3.956 3.529 297 H LEU 103 HN LEU 103 -8.535 5.575 7.181 298 HA LEU 103 HA LEU 103 -9.238 4.693 9.902 299 1HB LEU 103 2HB LEU 103 -7.345 6.839 9.033 300 2HB LEU 103 3HB LEU 103 -8.050 6.816 10.636 301 HG LEU 103 HG LEU 103 -7.139 4.254 10.420 302 1HD1 LEU 103 1HD1 LEU 103 -4.769 4.556 9.587 303 2HD1 LEU 103 2HD1 LEU 103 -6.048 4.475 8.373 304 3HD1 LEU 103 3HD1 LEU 103 -5.348 6.033 8.813 305 1HD2 LEU 103 1HD2 LEU 103 -5.633 4.779 12.071 306 2HD2 LEU 103 2HD2 LEU 103 -5.250 6.357 11.375 307 3HD2 LEU 103 3HD2 LEU 103 -6.788 6.109 12.205 308 H THR 104 HN THR 104 -9.903 6.821 7.283 309 HA THR 104 HA THR 104 -11.695 8.504 8.799 310 HB THR 104 HB THR 104 -11.610 8.308 5.802 311 HG1 THR 104 1HG THR 104 -9.508 8.581 6.090 312 1HG2 THR 104 1HG2 THR 104 -11.760 10.817 6.105 313 2HG2 THR 104 2HG2 THR 104 -12.153 10.460 7.787 314 3HG2 THR 104 3HG2 THR 104 -13.185 9.853 6.488 315 H THR 105 HN THR 105 -11.771 5.893 6.512 316 HA THR 105 HA THR 105 -14.665 5.494 6.857 317 HB THR 105 HB THR 105 -14.702 4.674 4.730 318 HG1 THR 105 1HG THR 105 -12.780 3.774 3.725 319 1HG2 THR 105 1HG2 THR 105 -13.899 6.933 4.448 320 2HG2 THR 105 2HG2 THR 105 -13.206 5.877 3.216 321 3HG2 THR 105 3HG2 THR 105 -12.235 6.367 4.606 322 H GLY 106 HN GLY 106 -11.530 4.107 6.945 323 1HA GLY 106 1HA GLY 106 -10.627 2.447 8.163 324 2HA GLY 106 2HA GLY 106 -12.202 2.065 8.801 325 H GLN 107 HN GLN 107 -12.535 2.167 5.520 326 HA GLN 107 HA GLN 107 -13.029 -0.484 5.153 327 1HB GLN 107 2HB GLN 107 -12.368 1.778 3.389 328 2HB GLN 107 3HB GLN 107 -12.393 0.170 2.687 329 1HG GLN 107 2HG GLN 107 -14.573 0.495 2.444 330 2HG GLN 107 3HG GLN 107 -14.654 0.196 4.179 331 1HE2 GLN 107 1HE2 GLN 107 -15.917 1.594 5.145 332 2HE2 GLN 107 2HE2 GLN 107 -16.063 3.274 4.773 333 H GLU 108 HN GLU 108 -11.837 -2.211 5.165 334 HA GLU 108 HA GLU 108 -8.943 -1.969 5.110 335 1HB GLU 108 2HB GLU 108 -10.653 -4.409 5.567 336 2HB GLU 108 3HB GLU 108 -8.928 -4.292 5.831 337 1HG GLU 108 2HG GLU 108 -9.211 -3.466 7.848 338 2HG GLU 108 3HG GLU 108 -10.318 -2.229 7.265 339 H GLY 109 HN GLY 109 -7.571 -2.918 3.653 340 1HA GLY 109 1HA GLY 109 -8.222 -4.757 1.669 341 2HA GLY 109 2HA GLY 109 -8.492 -3.164 0.986 342 H PHE 110 HN PHE 110 -6.705 -4.481 -0.332 343 HA PHE 110 HA PHE 110 -4.047 -4.123 0.740 344 1HB PHE 110 2HB PHE 110 -5.288 -5.493 -1.567 345 2HB PHE 110 3HB PHE 110 -3.667 -4.877 -1.826 346 HD1 PHE 110 1HD PHE 110 -2.254 -6.711 -1.812 347 HD2 PHE 110 2HD PHE 110 -5.241 -6.358 1.200 348 HE1 PHE 110 1HE PHE 110 -1.331 -8.685 -0.672 349 HE2 PHE 110 2HE PHE 110 -4.322 -8.332 2.347 350 HZ PHE 110 HZ PHE 110 -2.364 -9.498 1.411 351 H ILE 111 HN ILE 111 -2.462 -2.754 -0.176 352 HA ILE 111 HA ILE 111 -3.365 -0.797 -2.153 353 HB ILE 111 HB ILE 111 -2.632 1.108 -0.824 354 1HG1 ILE 111 2HG1 ILE 111 -2.442 -0.582 1.636 355 2HG1 ILE 111 3HG1 ILE 111 -1.069 -0.519 0.542 356 1HG2 ILE 111 1HG2 ILE 111 -4.516 1.296 0.525 357 2HG2 ILE 111 2HG2 ILE 111 -4.992 0.111 -0.692 358 3HG2 ILE 111 3HG2 ILE 111 -4.524 -0.424 0.924 359 1HD1 ILE 111 1HD1 ILE 111 -0.514 1.157 1.951 360 2HD1 ILE 111 2HD1 ILE 111 -1.445 2.073 0.764 361 3HD1 ILE 111 3HD1 ILE 111 -2.192 1.586 2.286 362 HA PRO 112 HA PRO 112 0.640 -1.205 -3.897 363 1HB PRO 112 2HB PRO 112 0.923 1.528 -4.552 364 2HB PRO 112 3HB PRO 112 0.286 0.255 -5.595 365 1HG PRO 112 2HG PRO 112 -1.165 2.275 -4.003 366 2HG PRO 112 3HG PRO 112 -1.639 1.456 -5.486 367 1HD PRO 112 2HD PRO 112 -2.697 0.868 -3.071 368 2HD PRO 112 3HD PRO 112 -2.533 -0.320 -4.372 369 H PHE 113 HN PHE 113 2.206 -1.563 -2.401 370 HA PHE 113 HA PHE 113 2.729 -0.179 -0.102 371 1HB PHE 113 2HB PHE 113 4.700 -1.394 0.093 372 2HB PHE 113 3HB PHE 113 3.739 -2.393 -0.990 373 HD1 PHE 113 1HD PHE 113 4.098 -1.107 -3.574 374 HD2 PHE 113 2HD PHE 113 6.906 -1.735 -0.440 375 HE1 PHE 113 1HE PHE 113 5.931 -1.059 -5.213 376 HE2 PHE 113 2HE PHE 113 8.745 -1.689 -2.074 377 HZ PHE 113 HZ PHE 113 8.259 -1.351 -4.465 378 H ASN 114 HN ASN 114 3.598 0.765 -3.328 379 HA ASN 114 HA ASN 114 5.349 2.871 -2.322 380 1HB ASN 114 2HB ASN 114 5.326 1.304 -4.661 381 2HB ASN 114 3HB ASN 114 5.114 2.981 -5.130 382 1HD2 ASN 114 1HD2 ASN 114 7.379 1.018 -5.346 383 2HD2 ASN 114 2HD2 ASN 114 8.739 1.862 -4.695 384 H PHE 115 HN PHE 115 2.456 2.939 -1.912 385 HA PHE 115 HA PHE 115 1.829 5.382 -3.440 386 1HB PHE 115 2HB PHE 115 0.399 2.967 -3.314 387 2HB PHE 115 3HB PHE 115 -0.514 4.113 -2.351 388 HD1 PHE 115 1HD PHE 115 -2.278 4.919 -3.520 389 HD2 PHE 115 2HD PHE 115 1.435 4.407 -5.523 390 HE1 PHE 115 1HE PHE 115 -3.253 5.879 -5.548 391 HE2 PHE 115 2HE PHE 115 0.465 5.370 -7.568 392 HZ PHE 115 HZ PHE 115 -1.884 6.111 -7.586 393 H VAL 116 HN VAL 116 2.911 4.621 -0.522 394 HA VAL 116 HA VAL 116 1.392 6.776 0.723 395 HB VAL 116 HB VAL 116 1.097 5.446 2.814 396 1HG1 VAL 116 1HG1 VAL 116 -0.412 4.045 0.671 397 2HG1 VAL 116 2HG1 VAL 116 -0.984 4.749 2.184 398 3HG1 VAL 116 3HG1 VAL 116 -0.583 5.795 0.822 399 1HG2 VAL 116 1HG2 VAL 116 0.955 2.856 2.040 400 2HG2 VAL 116 2HG2 VAL 116 2.355 3.397 1.114 401 3HG2 VAL 116 3HG2 VAL 116 2.342 3.561 2.871 402 H ALA 117 HN ALA 117 2.343 7.757 2.482 403 HA ALA 117 HA ALA 117 5.054 6.950 3.229 404 1HB ALA 117 1HB ALA 117 5.323 9.660 3.163 405 2HB ALA 117 2HB ALA 117 5.866 8.570 1.888 406 3HB ALA 117 3HB ALA 117 4.304 9.377 1.752 407 H LYS 118 HN LYS 118 5.545 7.384 5.360 408 HA LYS 118 HA LYS 118 3.689 7.423 7.301 409 1HB LYS 118 2HB LYS 118 6.365 8.824 7.407 410 2HB LYS 118 3HB LYS 118 5.391 8.423 8.814 411 1HG LYS 118 2HG LYS 118 6.736 6.535 6.904 412 2HG LYS 118 3HG LYS 118 7.055 6.756 8.626 413 1HD LYS 118 2HD LYS 118 4.803 5.917 9.132 414 2HD LYS 118 3HD LYS 118 4.522 5.661 7.411 415 1HE LYS 118 2HE LYS 118 5.136 3.559 8.346 416 2HE LYS 118 3HE LYS 118 6.510 4.137 7.403 417 1HZ LYS 118 1HZ LYS 118 6.251 3.781 10.284 418 2HZ LYS 118 2HZ LYS 118 7.144 5.122 9.767 419 3HZ LYS 118 3HZ LYS 118 7.597 3.567 9.282 420 H ALA 119 HN ALA 119 2.438 8.823 8.435 421 HA ALA 119 HA ALA 119 1.727 11.295 7.210 422 1HB ALA 119 1HB ALA 119 -0.100 10.414 8.278 423 2HB ALA 119 2HB ALA 119 0.847 9.825 9.650 424 3HB ALA 119 3HB ALA 119 0.457 11.539 9.515 425 H ASN 120 HN ASN 120 4.310 11.694 7.532 426 HA ASN 120 HA ASN 120 4.764 13.150 10.022 427 1HB ASN 120 2HB ASN 120 7.105 13.304 9.252 428 2HB ASN 120 3HB ASN 120 6.536 11.638 9.294 429 1HD2 ASN 120 1HD2 ASN 120 8.744 12.559 7.813 430 2HD2 ASN 120 2HD2 ASN 120 8.395 12.334 6.137 Start of MODEL 12 1 H ASN 64 HN ASN 64 2.195 3.207 12.817 2 HA ASN 64 HA ASN 64 3.948 2.012 10.790 3 1HB ASN 64 2HB ASN 64 1.388 0.787 11.830 4 2HB ASN 64 3HB ASN 64 2.145 0.309 10.319 5 1HD2 ASN 64 1HD2 ASN 64 2.002 -1.757 11.586 6 2HD2 ASN 64 2HD2 ASN 64 3.379 -2.173 12.538 7 H LEU 65 HN LEU 65 0.911 3.555 11.632 8 HA LEU 65 HA LEU 65 -0.421 3.694 9.291 9 1HB LEU 65 2HB LEU 65 -1.403 4.721 11.135 10 2HB LEU 65 3HB LEU 65 -0.062 5.806 11.385 11 HG LEU 65 HG LEU 65 -0.669 6.983 9.333 12 1HD1 LEU 65 1HD1 LEU 65 -1.903 5.968 7.802 13 2HD1 LEU 65 2HD1 LEU 65 -2.260 4.657 8.932 14 3HD1 LEU 65 3HD1 LEU 65 -3.289 6.087 8.889 15 1HD2 LEU 65 1HD2 LEU 65 -2.778 7.983 10.148 16 2HD2 LEU 65 2HD2 LEU 65 -2.908 6.675 11.322 17 3HD2 LEU 65 3HD2 LEU 65 -1.565 7.813 11.418 18 H VAL 66 HN VAL 66 -0.449 4.821 7.499 19 HA VAL 66 HA VAL 66 1.867 6.522 6.862 20 HB VAL 66 HB VAL 66 1.547 5.620 4.518 21 1HG1 VAL 66 1HG1 VAL 66 2.665 3.971 6.758 22 2HG1 VAL 66 2HG1 VAL 66 2.895 3.548 5.060 23 3HG1 VAL 66 3HG1 VAL 66 3.526 5.073 5.682 24 1HG2 VAL 66 1HG2 VAL 66 0.675 3.283 4.431 25 2HG2 VAL 66 2HG2 VAL 66 0.047 3.525 6.061 26 3HG2 VAL 66 3HG2 VAL 66 -0.553 4.513 4.727 27 H ILE 67 HN ILE 67 1.355 7.487 4.526 28 HA ILE 67 HA ILE 67 -1.388 8.397 4.356 29 HB ILE 67 HB ILE 67 0.724 10.050 5.417 30 1HG1 ILE 67 2HG1 ILE 67 -2.219 10.337 4.909 31 2HG1 ILE 67 3HG1 ILE 67 -1.430 9.901 6.397 32 1HG2 ILE 67 1HG2 ILE 67 -0.603 11.066 2.902 33 2HG2 ILE 67 2HG2 ILE 67 0.255 12.079 4.063 34 3HG2 ILE 67 3HG2 ILE 67 1.125 10.832 3.167 35 1HD1 ILE 67 1HD1 ILE 67 -1.424 12.019 7.023 36 2HD1 ILE 67 2HD1 ILE 67 -0.474 12.449 5.600 37 3HD1 ILE 67 3HD1 ILE 67 -2.238 12.448 5.517 38 H ALA 68 HN ALA 68 -2.053 8.341 2.359 39 HA ALA 68 HA ALA 68 -0.456 7.519 0.222 40 1HB ALA 68 1HB ALA 68 -3.169 7.875 0.664 41 2HB ALA 68 2HB ALA 68 -2.797 8.949 -0.686 42 3HB ALA 68 3HB ALA 68 -2.409 7.231 -0.792 43 H LEU 69 HN LEU 69 0.199 8.565 -1.680 44 HA LEU 69 HA LEU 69 0.602 11.474 -1.412 45 1HB LEU 69 2HB LEU 69 2.419 9.354 -2.542 46 2HB LEU 69 3HB LEU 69 2.685 11.071 -2.784 47 HG LEU 69 HG LEU 69 2.633 9.683 -0.099 48 1HD1 LEU 69 1HD1 LEU 69 5.105 10.518 -0.206 49 2HD1 LEU 69 2HD1 LEU 69 4.657 8.999 -0.980 50 3HD1 LEU 69 3HD1 LEU 69 4.853 10.462 -1.949 51 1HD2 LEU 69 1HD2 LEU 69 1.869 11.956 0.092 52 2HD2 LEU 69 2HD2 LEU 69 3.519 11.858 0.707 53 3HD2 LEU 69 3HD2 LEU 69 3.213 12.535 -0.890 54 H HIS 70 HN HIS 70 -1.237 9.382 -2.996 55 HA HIS 70 HA HIS 70 -1.667 11.108 -5.230 56 1HB HIS 70 2HB HIS 70 -1.269 8.638 -6.555 57 2HB HIS 70 3HB HIS 70 -0.365 10.130 -6.767 58 HD1 HIS 70 1HD HIS 70 1.921 9.108 -7.075 59 HD2 HIS 70 2HD HIS 70 0.057 7.825 -3.596 60 HE1 HIS 70 1HE HIS 70 3.689 7.880 -5.786 61 HE2 HIS 70 2HE HIS 70 2.584 7.275 -3.608 62 H SER 71 HN SER 71 -3.662 10.762 -6.194 63 HA SER 71 HA SER 71 -5.632 9.461 -4.705 64 1HB SER 71 2HB SER 71 -6.123 9.766 -7.616 65 2HB SER 71 3HB SER 71 -7.112 10.270 -6.247 66 HG SER 71 HG SER 71 -4.960 11.586 -7.476 67 H TYR 72 HN TYR 72 -6.152 7.386 -4.506 68 HA TYR 72 HA TYR 72 -5.028 5.497 -6.456 69 1HB TYR 72 2HB TYR 72 -4.454 5.233 -4.022 70 2HB TYR 72 3HB TYR 72 -6.138 4.831 -3.737 71 HD1 TYR 72 1HD TYR 72 -3.798 3.824 -6.471 72 HD2 TYR 72 2HD TYR 72 -6.254 2.580 -3.229 73 HE1 TYR 72 1HE TYR 72 -3.358 1.477 -7.044 74 HE2 TYR 72 2HE TYR 72 -5.807 0.230 -3.787 75 HH TYR 72 HH TYR 72 -4.605 -0.770 -6.671 76 H GLU 73 HN GLU 73 -6.187 3.859 -7.367 77 HA GLU 73 HA GLU 73 -9.072 3.790 -6.987 78 1HB GLU 73 2HB GLU 73 -7.732 4.854 -9.242 79 2HB GLU 73 3HB GLU 73 -8.549 3.386 -9.733 80 1HG GLU 73 2HG GLU 73 -10.650 4.228 -9.080 81 2HG GLU 73 3HG GLU 73 -9.908 5.555 -8.188 82 HA PRO 74 HA PRO 74 -7.469 -0.427 -6.220 83 1HB PRO 74 2HB PRO 74 -10.281 -1.115 -6.268 84 2HB PRO 74 3HB PRO 74 -9.165 -1.095 -4.902 85 1HG PRO 74 2HG PRO 74 -11.095 0.947 -5.756 86 2HG PRO 74 3HG PRO 74 -10.330 0.709 -4.177 87 1HD PRO 74 2HD PRO 74 -9.678 2.780 -5.797 88 2HD PRO 74 3HD PRO 74 -8.481 1.979 -4.751 89 H SER 75 HN SER 75 -6.912 -1.899 -7.660 90 HA SER 75 HA SER 75 -8.584 -2.282 -10.049 91 1HB SER 75 2HB SER 75 -5.560 -2.309 -10.080 92 2HB SER 75 3HB SER 75 -6.647 -2.395 -11.466 93 HG SER 75 HG SER 75 -6.696 -0.306 -11.475 94 H HIS 76 HN HIS 76 -6.057 -3.629 -7.956 95 HA HIS 76 HA HIS 76 -6.419 -6.297 -8.982 96 1HB HIS 76 2HB HIS 76 -4.664 -4.997 -6.963 97 2HB HIS 76 3HB HIS 76 -4.991 -6.713 -6.746 98 HD1 HIS 76 1HD HIS 76 -3.145 -8.037 -7.694 99 HD2 HIS 76 2HD HIS 76 -3.933 -4.654 -9.973 100 HE1 HIS 76 1HE HIS 76 -1.537 -8.138 -9.625 101 HE2 HIS 76 2HE HIS 76 -1.967 -6.031 -10.938 102 H ASP 77 HN ASP 77 -7.105 -8.112 -7.684 103 HA ASP 77 HA ASP 77 -9.560 -7.647 -6.372 104 1HB ASP 77 2HB ASP 77 -8.645 -9.778 -7.588 105 2HB ASP 77 3HB ASP 77 -8.023 -10.192 -5.994 106 H GLY 78 HN GLY 78 -10.057 -7.292 -4.296 107 1HA GLY 78 1HA GLY 78 -9.848 -7.224 -1.993 108 2HA GLY 78 2HA GLY 78 -8.370 -8.160 -2.139 109 H ASP 79 HN ASP 79 -8.880 -5.133 -3.839 110 HA ASP 79 HA ASP 79 -6.644 -4.002 -2.333 111 1HB ASP 79 2HB ASP 79 -7.931 -3.219 -4.948 112 2HB ASP 79 3HB ASP 79 -6.702 -2.240 -4.151 113 H LEU 80 HN LEU 80 -6.717 -1.793 -1.630 114 HA LEU 80 HA LEU 80 -9.427 -0.937 -0.864 115 1HB LEU 80 2HB LEU 80 -8.525 -1.305 1.190 116 2HB LEU 80 3HB LEU 80 -6.881 -1.126 0.621 117 HG LEU 80 HG LEU 80 -7.466 1.413 0.523 118 1HD1 LEU 80 1HD1 LEU 80 -9.049 1.729 2.645 119 2HD1 LEU 80 2HD1 LEU 80 -9.666 1.696 0.992 120 3HD1 LEU 80 3HD1 LEU 80 -9.754 0.248 1.993 121 1HD2 LEU 80 1HD2 LEU 80 -6.538 -0.342 2.641 122 2HD2 LEU 80 2HD2 LEU 80 -5.889 1.198 2.082 123 3HD2 LEU 80 3HD2 LEU 80 -7.206 1.170 3.256 124 H GLY 81 HN GLY 81 -10.080 1.041 -1.485 125 1HA GLY 81 1HA GLY 81 -8.186 2.640 -3.038 126 2HA GLY 81 2HA GLY 81 -9.929 2.809 -3.061 127 H PHE 82 HN PHE 82 -7.656 4.710 -2.619 128 HA PHE 82 HA PHE 82 -8.862 6.099 -0.372 129 1HB PHE 82 2HB PHE 82 -6.416 6.649 0.386 130 2HB PHE 82 3HB PHE 82 -7.191 5.164 0.917 131 HD1 PHE 82 1HD PHE 82 -4.311 6.551 -0.551 132 HD2 PHE 82 2HD PHE 82 -6.756 3.070 -0.590 133 HE1 PHE 82 1HE PHE 82 -2.432 5.244 -1.480 134 HE2 PHE 82 2HE PHE 82 -4.892 1.770 -1.524 135 HZ PHE 82 HZ PHE 82 -2.729 2.853 -1.963 136 H GLU 83 HN GLU 83 -7.605 8.302 -0.118 137 HA GLU 83 HA GLU 83 -7.364 9.386 -2.843 138 1HB GLU 83 2HB GLU 83 -8.692 10.280 -0.415 139 2HB GLU 83 3HB GLU 83 -7.645 11.519 -1.085 140 1HG GLU 83 2HG GLU 83 -8.989 10.536 -3.284 141 2HG GLU 83 3HG GLU 83 -10.206 10.542 -2.010 142 H LYS 84 HN LYS 84 -6.012 11.549 -2.755 143 HA LYS 84 HA LYS 84 -3.358 10.774 -1.996 144 1HB LYS 84 2HB LYS 84 -3.401 12.004 -3.969 145 2HB LYS 84 3HB LYS 84 -4.577 13.149 -3.349 146 1HG LYS 84 2HG LYS 84 -2.610 13.794 -1.723 147 2HG LYS 84 3HG LYS 84 -1.622 13.065 -2.990 148 1HD LYS 84 2HD LYS 84 -3.066 14.575 -4.557 149 2HD LYS 84 3HD LYS 84 -3.343 15.501 -3.082 150 1HE LYS 84 2HE LYS 84 -0.666 15.160 -2.959 151 2HE LYS 84 3HE LYS 84 -0.902 15.194 -4.706 152 1HZ LYS 84 1HZ LYS 84 -2.355 17.277 -4.062 153 2HZ LYS 84 2HZ LYS 84 -0.684 17.403 -4.298 154 3HZ LYS 84 3HZ LYS 84 -1.310 17.310 -2.730 155 H GLY 85 HN GLY 85 -2.220 11.377 -0.232 156 1HA GLY 85 1HA GLY 85 -1.711 12.465 1.766 157 2HA GLY 85 2HA GLY 85 -3.047 13.574 1.457 158 H GLU 86 HN GLU 86 -4.504 10.756 1.011 159 HA GLU 86 HA GLU 86 -5.940 10.741 3.402 160 1HB GLU 86 2HB GLU 86 -6.211 9.539 0.982 161 2HB GLU 86 3HB GLU 86 -5.666 8.181 1.946 162 1HG GLU 86 2HG GLU 86 -8.254 9.146 1.658 163 2HG GLU 86 3HG GLU 86 -7.692 7.876 2.723 164 H GLN 87 HN GLN 87 -6.033 8.848 4.909 165 HA GLN 87 HA GLN 87 -3.319 7.840 5.428 166 1HB GLN 87 2HB GLN 87 -5.292 8.385 7.624 167 2HB GLN 87 3HB GLN 87 -3.561 8.126 7.748 168 1HG GLN 87 2HG GLN 87 -3.063 10.259 7.310 169 2HG GLN 87 3HG GLN 87 -4.342 10.420 6.112 170 1HE2 GLN 87 1HE2 GLN 87 -3.795 10.193 9.596 171 2HE2 GLN 87 2HE2 GLN 87 -5.110 11.217 10.050 172 H LEU 88 HN LEU 88 -3.093 5.828 6.221 173 HA LEU 88 HA LEU 88 -5.426 4.116 6.567 174 1HB LEU 88 2HB LEU 88 -3.300 3.001 4.832 175 2HB LEU 88 3HB LEU 88 -5.013 2.643 4.872 176 HG LEU 88 HG LEU 88 -4.402 5.338 3.891 177 1HD1 LEU 88 1HD1 LEU 88 -3.837 3.288 1.868 178 2HD1 LEU 88 2HD1 LEU 88 -3.126 4.885 2.101 179 3HD1 LEU 88 3HD1 LEU 88 -2.577 3.525 3.082 180 1HD2 LEU 88 1HD2 LEU 88 -6.050 4.731 2.241 181 2HD2 LEU 88 2HD2 LEU 88 -5.965 3.038 2.741 182 3HD2 LEU 88 3HD2 LEU 88 -6.621 4.256 3.842 183 H ARG 89 HN ARG 89 -5.101 2.796 8.199 184 HA ARG 89 HA ARG 89 -2.534 2.708 9.462 185 1HB ARG 89 2HB ARG 89 -4.378 2.866 10.930 186 2HB ARG 89 3HB ARG 89 -5.238 1.562 10.122 187 1HG ARG 89 2HG ARG 89 -3.620 -0.030 10.921 188 2HG ARG 89 3HG ARG 89 -2.696 1.262 11.668 189 1HD ARG 89 2HD ARG 89 -4.805 1.810 12.958 190 2HD ARG 89 3HD ARG 89 -5.416 0.255 12.420 191 HE ARG 89 HE ARG 89 -2.829 0.206 13.718 192 1HH1 ARG 89 2HH1 ARG 89 -6.286 -0.117 14.101 193 2HH1 ARG 89 1HH1 ARG 89 -6.163 -1.030 15.566 194 1HH2 ARG 89 2HH2 ARG 89 -2.670 -0.994 15.648 195 2HH2 ARG 89 1HH2 ARG 89 -4.112 -1.528 16.445 196 H ILE 90 HN ILE 90 -1.108 1.547 8.387 197 HA ILE 90 HA ILE 90 -1.536 -0.643 6.760 198 HB ILE 90 HB ILE 90 0.983 -0.134 8.351 199 1HG1 ILE 90 2HG1 ILE 90 0.274 1.878 7.152 200 2HG1 ILE 90 3HG1 ILE 90 1.722 1.203 6.435 201 1HG2 ILE 90 1HG2 ILE 90 1.123 -1.156 5.607 202 2HG2 ILE 90 2HG2 ILE 90 2.024 -1.637 7.048 203 3HG2 ILE 90 3HG2 ILE 90 0.398 -2.264 6.774 204 1HD1 ILE 90 1HD1 ILE 90 -0.440 0.050 5.075 205 2HD1 ILE 90 2HD1 ILE 90 -0.804 1.769 5.230 206 3HD1 ILE 90 3HD1 ILE 90 0.703 1.251 4.475 207 H LEU 91 HN LEU 91 -2.428 -2.463 7.237 208 HA LEU 91 HA LEU 91 -2.344 -3.637 9.869 209 1HB LEU 91 2HB LEU 91 -3.355 -4.850 7.299 210 2HB LEU 91 3HB LEU 91 -3.799 -5.304 8.934 211 HG LEU 91 HG LEU 91 -4.452 -2.673 7.607 212 1HD1 LEU 91 1HD1 LEU 91 -6.013 -5.188 7.929 213 2HD1 LEU 91 2HD1 LEU 91 -6.836 -3.626 7.910 214 3HD1 LEU 91 3HD1 LEU 91 -5.855 -4.123 6.531 215 1HD2 LEU 91 1HD2 LEU 91 -4.584 -3.593 10.366 216 2HD2 LEU 91 2HD2 LEU 91 -4.683 -1.960 9.708 217 3HD2 LEU 91 3HD2 LEU 91 -6.123 -2.976 9.765 218 H GLU 92 HN GLU 92 -1.151 -4.326 6.643 219 HA GLU 92 HA GLU 92 1.102 -5.772 7.766 220 1HB GLU 92 2HB GLU 92 -1.084 -7.106 6.526 221 2HB GLU 92 3HB GLU 92 0.305 -7.214 5.451 222 1HG GLU 92 2HG GLU 92 1.107 -8.849 6.692 223 2HG GLU 92 3HG GLU 92 1.270 -7.705 8.027 224 H GLN 93 HN GLN 93 2.953 -5.412 6.668 225 HA GLN 93 HA GLN 93 2.716 -3.933 4.152 226 1HB GLN 93 2HB GLN 93 4.991 -2.942 4.992 227 2HB GLN 93 3HB GLN 93 3.462 -2.270 5.530 228 1HG GLN 93 2HG GLN 93 3.615 -3.782 7.498 229 2HG GLN 93 3HG GLN 93 5.234 -4.164 6.960 230 1HE2 GLN 93 1HE2 GLN 93 6.364 -3.296 8.635 231 2HE2 GLN 93 2HE2 GLN 93 6.384 -1.609 9.009 232 H SER 94 HN SER 94 2.982 -6.732 4.362 233 HA SER 94 HA SER 94 5.756 -7.248 3.598 234 1HB SER 94 2HB SER 94 4.263 -9.625 3.404 235 2HB SER 94 3HB SER 94 5.389 -9.179 4.683 236 HG SER 94 HG SER 94 3.609 -8.162 5.746 237 H GLY 95 HN GLY 95 6.314 -7.264 1.527 238 1HA GLY 95 1HA GLY 95 6.110 -7.897 -0.743 239 2HA GLY 95 2HA GLY 95 4.396 -8.165 -0.484 240 H GLU 96 HN GLU 96 5.489 -6.841 -2.661 241 HA GLU 96 HA GLU 96 5.657 -4.102 -2.612 242 1HB GLU 96 2HB GLU 96 6.107 -4.857 -4.695 243 2HB GLU 96 3HB GLU 96 4.913 -6.143 -4.589 244 1HG GLU 96 2HG GLU 96 3.162 -4.659 -5.056 245 2HG GLU 96 3HG GLU 96 4.234 -3.263 -4.981 246 H TRP 97 HN TRP 97 2.870 -6.028 -1.972 247 HA TRP 97 HA TRP 97 1.176 -3.629 -2.135 248 1HB TRP 97 2HB TRP 97 0.574 -6.542 -2.534 249 2HB TRP 97 3HB TRP 97 -0.704 -5.416 -2.089 250 HD1 TRP 97 1HD TRP 97 1.671 -6.258 -4.971 251 HE1 TRP 97 1HE TRP 97 0.834 -5.082 -7.102 252 HE3 TRP 97 3HE TRP 97 -2.077 -3.451 -2.929 253 HZ2 TRP 97 2HZ TRP 97 -1.152 -3.206 -7.819 254 HZ3 TRP 97 3HZ TRP 97 -3.396 -1.991 -4.396 255 HH2 TRP 97 2HH TRP 97 -2.938 -1.868 -6.793 256 H TRP 98 HN TRP 98 1.054 -2.723 -0.182 257 HA TRP 98 HA TRP 98 1.148 -4.363 2.215 258 1HB TRP 98 2HB TRP 98 1.158 -1.382 1.787 259 2HB TRP 98 3HB TRP 98 1.092 -2.124 3.377 260 HD1 TRP 98 1HD TRP 98 3.268 -4.271 1.416 261 HE1 TRP 98 1HE TRP 98 5.747 -3.719 1.844 262 HE3 TRP 98 3HE TRP 98 2.680 0.228 3.704 263 HZ2 TRP 98 2HZ TRP 98 7.256 -1.611 2.996 264 HZ3 TRP 98 3HZ TRP 98 4.673 1.472 4.438 265 HH2 TRP 98 2HH TRP 98 6.919 0.564 4.094 266 H LYS 99 HN LYS 99 -0.465 -4.684 3.625 267 HA LYS 99 HA LYS 99 -3.163 -4.048 2.779 268 1HB LYS 99 2HB LYS 99 -2.735 -6.283 3.652 269 2HB LYS 99 3HB LYS 99 -2.085 -5.608 5.135 270 1HG LYS 99 2HG LYS 99 -4.482 -6.541 5.139 271 2HG LYS 99 3HG LYS 99 -4.164 -4.999 5.937 272 1HD LYS 99 2HD LYS 99 -5.128 -3.773 4.241 273 2HD LYS 99 3HD LYS 99 -5.033 -5.100 3.080 274 1HE LYS 99 2HE LYS 99 -6.587 -5.930 5.330 275 2HE LYS 99 3HE LYS 99 -7.198 -4.383 4.750 276 1HZ LYS 99 1HZ LYS 99 -6.832 -5.765 2.462 277 2HZ LYS 99 2HZ LYS 99 -8.306 -5.627 3.282 278 3HZ LYS 99 3HZ LYS 99 -7.329 -6.985 3.525 279 H ALA 100 HN ALA 100 -4.056 -2.148 3.357 280 HA ALA 100 HA ALA 100 -3.230 -0.990 5.939 281 1HB ALA 100 1HB ALA 100 -4.253 0.815 3.823 282 2HB ALA 100 2HB ALA 100 -3.028 1.091 5.064 283 3HB ALA 100 3HB ALA 100 -2.625 0.158 3.621 284 H GLN 101 HN GLN 101 -4.760 -0.120 7.256 285 HA GLN 101 HA GLN 101 -7.542 -0.584 6.425 286 1HB GLN 101 2HB GLN 101 -7.045 -1.892 8.372 287 2HB GLN 101 3HB GLN 101 -6.301 -0.529 9.185 288 1HG GLN 101 2HG GLN 101 -8.575 0.551 9.005 289 2HG GLN 101 3HG GLN 101 -9.200 -1.030 8.609 290 1HE2 GLN 101 1HE2 GLN 101 -7.686 0.933 11.061 291 2HE2 GLN 101 2HE2 GLN 101 -8.061 -0.090 12.399 292 H SER 102 HN SER 102 -8.411 1.232 5.742 293 HA SER 102 HA SER 102 -7.441 3.776 6.032 294 1HB SER 102 2HB SER 102 -9.855 2.511 5.094 295 2HB SER 102 3HB SER 102 -10.214 4.019 5.897 296 HG SER 102 HG SER 102 -9.753 4.259 3.640 297 H LEU 103 HN LEU 103 -8.547 5.609 7.216 298 HA LEU 103 HA LEU 103 -9.284 4.720 9.926 299 1HB LEU 103 2HB LEU 103 -7.377 6.865 9.078 300 2HB LEU 103 3HB LEU 103 -8.089 6.833 10.677 301 HG LEU 103 HG LEU 103 -7.189 4.279 10.483 302 1HD1 LEU 103 1HD1 LEU 103 -6.132 4.460 8.409 303 2HD1 LEU 103 2HD1 LEU 103 -5.402 6.012 8.821 304 3HD1 LEU 103 3HD1 LEU 103 -4.835 4.535 9.602 305 1HD2 LEU 103 1HD2 LEU 103 -6.793 6.141 12.238 306 2HD2 LEU 103 2HD2 LEU 103 -5.626 4.822 12.086 307 3HD2 LEU 103 3HD2 LEU 103 -5.279 6.399 11.368 308 H THR 104 HN THR 104 -9.911 6.866 7.309 309 HA THR 104 HA THR 104 -11.714 8.547 8.818 310 HB THR 104 HB THR 104 -11.607 8.387 5.823 311 HG1 THR 104 1HG THR 104 -9.702 9.677 7.481 312 1HG2 THR 104 1HG2 THR 104 -12.108 10.528 7.830 313 2HG2 THR 104 2HG2 THR 104 -13.150 9.960 6.522 314 3HG2 THR 104 3HG2 THR 104 -11.700 10.896 6.155 315 H THR 105 HN THR 105 -11.772 5.946 6.518 316 HA THR 105 HA THR 105 -14.675 5.572 6.819 317 HB THR 105 HB THR 105 -14.700 4.800 4.677 318 HG1 THR 105 1HG THR 105 -11.970 4.105 4.819 319 1HG2 THR 105 1HG2 THR 105 -12.203 6.450 4.609 320 2HG2 THR 105 2HG2 THR 105 -13.855 7.044 4.431 321 3HG2 THR 105 3HG2 THR 105 -13.158 5.991 3.199 322 H GLY 106 HN GLY 106 -11.556 4.149 6.910 323 1HA GLY 106 1HA GLY 106 -10.690 2.459 8.126 324 2HA GLY 106 2HA GLY 106 -12.284 2.068 8.709 325 H GLN 107 HN GLN 107 -12.547 2.260 5.429 326 HA GLN 107 HA GLN 107 -13.038 -0.375 4.971 327 1HB GLN 107 2HB GLN 107 -12.318 1.929 3.286 328 2HB GLN 107 3HB GLN 107 -12.343 0.342 2.541 329 1HG GLN 107 2HG GLN 107 -14.514 0.708 2.252 330 2HG GLN 107 3HG GLN 107 -14.639 0.347 3.973 331 1HE2 GLN 107 1HE2 GLN 107 -13.992 3.045 1.767 332 2HE2 GLN 107 2HE2 GLN 107 -14.847 4.231 2.688 333 H GLU 108 HN GLU 108 -11.860 -2.117 4.917 334 HA GLU 108 HA GLU 108 -8.957 -1.875 4.912 335 1HB GLU 108 2HB GLU 108 -10.743 -4.244 5.440 336 2HB GLU 108 3HB GLU 108 -8.999 -4.266 5.554 337 1HG GLU 108 2HG GLU 108 -9.054 -3.464 7.600 338 2HG GLU 108 3HG GLU 108 -10.063 -2.108 7.109 339 H GLY 109 HN GLY 109 -7.586 -2.939 3.512 340 1HA GLY 109 1HA GLY 109 -8.224 -4.746 1.520 341 2HA GLY 109 2HA GLY 109 -8.483 -3.157 0.820 342 H PHE 110 HN PHE 110 -6.676 -4.496 -0.469 343 HA PHE 110 HA PHE 110 -4.032 -4.140 0.637 344 1HB PHE 110 2HB PHE 110 -5.244 -5.524 -1.664 345 2HB PHE 110 3HB PHE 110 -3.649 -4.856 -1.960 346 HD1 PHE 110 1HD PHE 110 -5.058 -6.342 1.140 347 HD2 PHE 110 2HD PHE 110 -2.226 -6.687 -2.020 348 HE1 PHE 110 1HE PHE 110 -4.047 -8.285 2.261 349 HE2 PHE 110 2HE PHE 110 -1.211 -8.630 -0.903 350 HZ PHE 110 HZ PHE 110 -2.122 -9.432 1.239 351 H ILE 111 HN ILE 111 -2.493 -2.675 -0.092 352 HA ILE 111 HA ILE 111 -3.367 -0.710 -2.090 353 HB ILE 111 HB ILE 111 -2.619 1.157 -0.727 354 1HG1 ILE 111 2HG1 ILE 111 -2.366 -0.573 1.695 355 2HG1 ILE 111 3HG1 ILE 111 -1.023 -0.511 0.566 356 1HG2 ILE 111 1HG2 ILE 111 -4.968 0.088 -0.541 357 2HG2 ILE 111 2HG2 ILE 111 -4.438 -0.389 1.072 358 3HG2 ILE 111 3HG2 ILE 111 -4.483 1.317 0.626 359 1HD1 ILE 111 1HD1 ILE 111 -1.321 2.069 0.816 360 2HD1 ILE 111 2HD1 ILE 111 -2.103 1.611 2.331 361 3HD1 ILE 111 3HD1 ILE 111 -0.433 1.131 2.020 362 HA PRO 112 HA PRO 112 0.616 -1.123 -3.893 363 1HB PRO 112 2HB PRO 112 0.904 1.591 -4.560 364 2HB PRO 112 3HB PRO 112 0.190 0.339 -5.577 365 1HG PRO 112 2HG PRO 112 -1.143 2.360 -3.866 366 2HG PRO 112 3HG PRO 112 -1.683 1.636 -5.378 367 1HD PRO 112 2HD PRO 112 -2.716 0.937 -2.998 368 2HD PRO 112 3HD PRO 112 -2.548 -0.213 -4.333 369 H PHE 113 HN PHE 113 2.273 -1.448 -2.502 370 HA PHE 113 HA PHE 113 2.802 -0.054 -0.184 371 1HB PHE 113 2HB PHE 113 4.803 -1.255 -0.023 372 2HB PHE 113 3HB PHE 113 3.770 -2.290 -1.001 373 HD1 PHE 113 1HD PHE 113 6.954 -1.800 -0.674 374 HD2 PHE 113 2HD PHE 113 4.020 -0.996 -3.649 375 HE1 PHE 113 1HE PHE 113 8.699 -1.860 -2.407 376 HE2 PHE 113 2HE PHE 113 5.760 -1.054 -5.387 377 HZ PHE 113 HZ PHE 113 8.103 -1.488 -4.767 378 H ASN 114 HN ASN 114 3.548 0.892 -3.426 379 HA ASN 114 HA ASN 114 5.379 2.971 -2.468 380 1HB ASN 114 2HB ASN 114 5.735 3.340 -4.967 381 2HB ASN 114 3HB ASN 114 6.322 1.818 -4.307 382 1HD2 ASN 114 1HD2 ASN 114 5.087 2.958 -6.957 383 2HD2 ASN 114 2HD2 ASN 114 4.047 1.670 -7.453 384 H PHE 115 HN PHE 115 2.532 3.114 -1.954 385 HA PHE 115 HA PHE 115 1.858 5.508 -3.543 386 1HB PHE 115 2HB PHE 115 0.394 3.121 -3.212 387 2HB PHE 115 3HB PHE 115 -0.446 4.346 -2.277 388 HD1 PHE 115 1HD PHE 115 1.397 4.550 -5.513 389 HD2 PHE 115 2HD PHE 115 -2.292 4.977 -3.447 390 HE1 PHE 115 1HE PHE 115 0.350 5.418 -7.565 391 HE2 PHE 115 2HE PHE 115 -3.344 5.841 -5.480 392 HZ PHE 115 HZ PHE 115 -2.026 6.067 -7.553 393 H VAL 116 HN VAL 116 2.376 4.226 -0.389 394 HA VAL 116 HA VAL 116 1.239 6.681 0.774 395 HB VAL 116 HB VAL 116 0.890 5.403 2.857 396 1HG1 VAL 116 1HG1 VAL 116 -0.981 5.732 1.435 397 2HG1 VAL 116 2HG1 VAL 116 -0.465 4.436 0.356 398 3HG1 VAL 116 3HG1 VAL 116 -1.029 4.056 1.982 399 1HG2 VAL 116 1HG2 VAL 116 2.251 3.323 1.301 400 2HG2 VAL 116 2HG2 VAL 116 2.100 3.511 3.048 401 3HG2 VAL 116 3HG2 VAL 116 0.792 2.774 2.122 402 H ALA 117 HN ALA 117 2.257 7.685 2.456 403 HA ALA 117 HA ALA 117 4.961 6.808 3.173 404 1HB ALA 117 1HB ALA 117 4.228 9.611 2.317 405 2HB ALA 117 2HB ALA 117 5.793 9.108 2.957 406 3HB ALA 117 3HB ALA 117 5.228 8.477 1.409 407 H LYS 118 HN LYS 118 5.506 7.232 5.298 408 HA LYS 118 HA LYS 118 3.690 7.274 7.278 409 1HB LYS 118 2HB LYS 118 6.373 8.663 7.344 410 2HB LYS 118 3HB LYS 118 5.426 8.244 8.764 411 1HG LYS 118 2HG LYS 118 6.727 6.378 6.802 412 2HG LYS 118 3HG LYS 118 7.089 6.581 8.518 413 1HD LYS 118 2HD LYS 118 4.853 5.734 9.072 414 2HD LYS 118 3HD LYS 118 4.522 5.506 7.355 415 1HE LYS 118 2HE LYS 118 6.355 3.904 7.204 416 2HE LYS 118 3HE LYS 118 6.724 4.151 8.910 417 1HZ LYS 118 1HZ LYS 118 5.444 2.175 8.704 418 2HZ LYS 118 2HZ LYS 118 4.266 2.947 7.768 419 3HZ LYS 118 3HZ LYS 118 4.442 3.346 9.401 420 H ALA 119 HN ALA 119 2.456 8.668 8.424 421 HA ALA 119 HA ALA 119 1.752 11.159 7.232 422 1HB ALA 119 1HB ALA 119 -0.070 10.270 8.308 423 2HB ALA 119 2HB ALA 119 0.887 9.672 9.670 424 3HB ALA 119 3HB ALA 119 0.500 11.387 9.546 425 H ASN 120 HN ASN 120 4.341 11.531 7.537 426 HA ASN 120 HA ASN 120 4.748 13.060 10.009 427 1HB ASN 120 2HB ASN 120 6.586 11.733 8.060 428 2HB ASN 120 3HB ASN 120 7.181 13.115 8.977 429 1HD2 ASN 120 1HD2 ASN 120 5.116 10.320 9.712 430 2HD2 ASN 120 2HD2 ASN 120 6.009 9.813 11.102 Start of MODEL 13 1 H ASN 64 HN ASN 64 1.142 2.924 12.895 2 HA ASN 64 HA ASN 64 3.383 2.265 11.292 3 1HB ASN 64 2HB ASN 64 1.351 0.121 11.796 4 2HB ASN 64 3HB ASN 64 2.043 0.271 10.188 5 1HD2 ASN 64 1HD2 ASN 64 2.344 -1.965 11.843 6 2HD2 ASN 64 2HD2 ASN 64 4.019 -2.122 12.235 7 H LEU 65 HN LEU 65 1.240 4.252 11.646 8 HA LEU 65 HA LEU 65 -0.454 3.918 9.353 9 1HB LEU 65 2HB LEU 65 -1.480 4.991 11.148 10 2HB LEU 65 3HB LEU 65 -0.161 6.111 11.372 11 HG LEU 65 HG LEU 65 -0.748 7.175 9.252 12 1HD1 LEU 65 1HD1 LEU 65 -3.357 6.218 8.833 13 2HD1 LEU 65 2HD1 LEU 65 -1.962 6.088 7.760 14 3HD1 LEU 65 3HD1 LEU 65 -2.296 4.814 8.935 15 1HD2 LEU 65 1HD2 LEU 65 -1.672 8.107 11.280 16 2HD2 LEU 65 2HD2 LEU 65 -2.877 8.197 9.995 17 3HD2 LEU 65 3HD2 LEU 65 -3.002 6.951 11.237 18 H VAL 66 HN VAL 66 -0.454 4.969 7.537 19 HA VAL 66 HA VAL 66 1.870 6.644 6.858 20 HB VAL 66 HB VAL 66 1.525 5.668 4.537 21 1HG1 VAL 66 1HG1 VAL 66 2.857 3.592 5.165 22 2HG1 VAL 66 2HG1 VAL 66 3.518 5.148 5.666 23 3HG1 VAL 66 3HG1 VAL 66 2.674 4.131 6.835 24 1HG2 VAL 66 1HG2 VAL 66 0.051 3.617 6.165 25 2HG2 VAL 66 2HG2 VAL 66 -0.583 4.576 4.828 26 3HG2 VAL 66 3HG2 VAL 66 0.639 3.342 4.526 27 H ILE 67 HN ILE 67 1.350 7.544 4.489 28 HA ILE 67 HA ILE 67 -1.394 8.447 4.300 29 HB ILE 67 HB ILE 67 0.723 10.162 5.296 30 1HG1 ILE 67 2HG1 ILE 67 -2.252 10.333 4.921 31 2HG1 ILE 67 3HG1 ILE 67 -1.384 9.955 6.379 32 1HG2 ILE 67 1HG2 ILE 67 0.988 10.916 3.014 33 2HG2 ILE 67 2HG2 ILE 67 -0.757 11.103 2.839 34 3HG2 ILE 67 3HG2 ILE 67 0.136 12.152 3.941 35 1HD1 ILE 67 1HD1 ILE 67 -0.597 12.536 5.453 36 2HD1 ILE 67 2HD1 ILE 67 -2.358 12.435 5.540 37 3HD1 ILE 67 3HD1 ILE 67 -1.381 12.084 6.967 38 H ALA 68 HN ALA 68 -2.060 8.443 2.307 39 HA ALA 68 HA ALA 68 -0.481 7.557 0.182 40 1HB ALA 68 1HB ALA 68 -3.170 7.950 0.595 41 2HB ALA 68 2HB ALA 68 -2.786 9.092 -0.692 42 3HB ALA 68 3HB ALA 68 -2.417 7.381 -0.894 43 H LEU 69 HN LEU 69 0.336 8.559 -1.651 44 HA LEU 69 HA LEU 69 1.014 11.384 -1.263 45 1HB LEU 69 2HB LEU 69 2.287 9.182 -2.873 46 2HB LEU 69 3HB LEU 69 2.752 10.865 -3.047 47 HG LEU 69 HG LEU 69 3.022 9.155 -0.571 48 1HD1 LEU 69 1HD1 LEU 69 5.457 9.812 -0.906 49 2HD1 LEU 69 2HD1 LEU 69 4.787 8.631 -2.030 50 3HD1 LEU 69 3HD1 LEU 69 4.987 10.311 -2.530 51 1HD2 LEU 69 1HD2 LEU 69 2.417 11.332 0.177 52 2HD2 LEU 69 2HD2 LEU 69 4.163 11.175 0.375 53 3HD2 LEU 69 3HD2 LEU 69 3.508 12.099 -0.977 54 H HIS 70 HN HIS 70 -0.766 9.239 -3.295 55 HA HIS 70 HA HIS 70 -1.643 11.513 -4.898 56 1HB HIS 70 2HB HIS 70 -1.591 9.634 -6.855 57 2HB HIS 70 3HB HIS 70 -0.335 10.836 -6.612 58 HD1 HIS 70 1HD HIS 70 -0.672 7.383 -7.194 59 HD2 HIS 70 2HD HIS 70 1.743 9.666 -4.709 60 HE1 HIS 70 1HE HIS 70 1.269 5.899 -6.598 61 HE2 HIS 70 2HE HIS 70 2.671 7.272 -5.016 62 H SER 71 HN SER 71 -3.416 10.511 -6.542 63 HA SER 71 HA SER 71 -5.445 9.437 -4.785 64 1HB SER 71 2HB SER 71 -5.994 9.743 -7.689 65 2HB SER 71 3HB SER 71 -6.971 10.218 -6.301 66 HG SER 71 HG SER 71 -5.529 11.788 -7.779 67 H TYR 72 HN TYR 72 -5.963 7.356 -4.598 68 HA TYR 72 HA TYR 72 -4.825 5.484 -6.561 69 1HB TYR 72 2HB TYR 72 -4.189 5.178 -4.173 70 2HB TYR 72 3HB TYR 72 -5.875 4.852 -3.804 71 HD1 TYR 72 1HD TYR 72 -6.037 2.611 -3.246 72 HD2 TYR 72 2HD TYR 72 -3.727 3.716 -6.639 73 HE1 TYR 72 1HE TYR 72 -5.717 0.237 -3.792 74 HE2 TYR 72 2HE TYR 72 -3.401 1.344 -7.197 75 HH TYR 72 HH TYR 72 -5.220 -1.099 -5.957 76 H GLU 73 HN GLU 73 -5.992 3.853 -7.485 77 HA GLU 73 HA GLU 73 -8.876 3.791 -7.065 78 1HB GLU 73 2HB GLU 73 -7.551 4.817 -9.344 79 2HB GLU 73 3HB GLU 73 -8.375 3.344 -9.810 80 1HG GLU 73 2HG GLU 73 -10.470 4.201 -9.121 81 2HG GLU 73 3HG GLU 73 -9.704 5.563 -8.301 82 HA PRO 74 HA PRO 74 -7.288 -0.426 -6.279 83 1HB PRO 74 2HB PRO 74 -10.092 -1.109 -6.197 84 2HB PRO 74 3HB PRO 74 -8.931 -1.039 -4.870 85 1HG PRO 74 2HG PRO 74 -10.895 0.968 -5.741 86 2HG PRO 74 3HG PRO 74 -10.101 0.775 -4.170 87 1HD PRO 74 2HD PRO 74 -9.481 2.802 -5.854 88 2HD PRO 74 3HD PRO 74 -8.263 2.030 -4.812 89 H SER 75 HN SER 75 -6.667 -1.718 -7.850 90 HA SER 75 HA SER 75 -8.477 -2.169 -10.132 91 1HB SER 75 2HB SER 75 -5.564 -2.599 -10.514 92 2HB SER 75 3HB SER 75 -6.766 -1.951 -11.632 93 HG SER 75 HG SER 75 -5.304 -0.644 -9.626 94 H HIS 76 HN HIS 76 -6.048 -3.553 -7.980 95 HA HIS 76 HA HIS 76 -6.388 -6.221 -9.011 96 1HB HIS 76 2HB HIS 76 -4.719 -4.918 -6.926 97 2HB HIS 76 3HB HIS 76 -5.083 -6.625 -6.690 98 HD1 HIS 76 1HD HIS 76 -4.462 -5.070 -10.068 99 HD2 HIS 76 2HD HIS 76 -2.585 -7.587 -7.345 100 HE1 HIS 76 1HE HIS 76 -2.448 -5.977 -11.269 101 HE2 HIS 76 2HE HIS 76 -1.280 -7.430 -9.573 102 H ASP 77 HN ASP 77 -6.908 -8.027 -7.429 103 HA ASP 77 HA ASP 77 -9.512 -7.528 -6.335 104 1HB ASP 77 2HB ASP 77 -7.971 -9.816 -7.136 105 2HB ASP 77 3HB ASP 77 -8.603 -10.083 -5.514 106 H GLY 78 HN GLY 78 -10.164 -7.546 -4.201 107 1HA GLY 78 1HA GLY 78 -9.987 -7.228 -1.931 108 2HA GLY 78 2HA GLY 78 -8.563 -8.253 -2.005 109 H ASP 79 HN ASP 79 -9.033 -5.134 -3.609 110 HA ASP 79 HA ASP 79 -6.726 -4.131 -2.095 111 1HB ASP 79 2HB ASP 79 -7.845 -3.313 -4.775 112 2HB ASP 79 3HB ASP 79 -6.557 -2.442 -3.949 113 H LEU 80 HN LEU 80 -6.718 -1.943 -1.392 114 HA LEU 80 HA LEU 80 -9.410 -0.920 -0.787 115 1HB LEU 80 2HB LEU 80 -8.510 -1.368 1.288 116 2HB LEU 80 3HB LEU 80 -6.873 -1.033 0.775 117 HG LEU 80 HG LEU 80 -7.552 1.419 0.711 118 1HD1 LEU 80 1HD1 LEU 80 -9.800 1.652 0.830 119 2HD1 LEU 80 2HD1 LEU 80 -10.013 0.182 1.780 120 3HD1 LEU 80 3HD1 LEU 80 -9.466 1.665 2.563 121 1HD2 LEU 80 1HD2 LEU 80 -7.512 -0.081 3.322 122 2HD2 LEU 80 2HD2 LEU 80 -6.118 0.542 2.438 123 3HD2 LEU 80 3HD2 LEU 80 -7.281 1.659 3.156 124 H GLY 81 HN GLY 81 -9.956 1.029 -1.554 125 1HA GLY 81 1HA GLY 81 -7.921 2.528 -3.022 126 2HA GLY 81 2HA GLY 81 -9.653 2.750 -3.158 127 H PHE 82 HN PHE 82 -7.457 4.679 -2.680 128 HA PHE 82 HA PHE 82 -8.720 6.042 -0.444 129 1HB PHE 82 2HB PHE 82 -6.320 6.644 0.364 130 2HB PHE 82 3HB PHE 82 -7.031 5.109 0.835 131 HD1 PHE 82 1HD PHE 82 -6.467 3.077 -0.701 132 HD2 PHE 82 2HD PHE 82 -4.226 6.685 -0.581 133 HE1 PHE 82 1HE PHE 82 -4.528 1.902 -1.655 134 HE2 PHE 82 2HE PHE 82 -2.275 5.512 -1.532 135 HZ PHE 82 HZ PHE 82 -2.430 3.117 -2.066 136 H GLU 83 HN GLU 83 -7.477 8.260 -0.161 137 HA GLU 83 HA GLU 83 -7.247 9.375 -2.876 138 1HB GLU 83 2HB GLU 83 -8.645 10.205 -0.463 139 2HB GLU 83 3HB GLU 83 -7.642 11.486 -1.121 140 1HG GLU 83 2HG GLU 83 -8.914 10.454 -3.337 141 2HG GLU 83 3HG GLU 83 -10.147 10.398 -2.080 142 H LYS 84 HN LYS 84 -5.945 11.522 -2.833 143 HA LYS 84 HA LYS 84 -3.292 10.872 -1.985 144 1HB LYS 84 2HB LYS 84 -3.322 12.075 -3.972 145 2HB LYS 84 3HB LYS 84 -4.573 13.167 -3.411 146 1HG LYS 84 2HG LYS 84 -2.702 13.942 -1.737 147 2HG LYS 84 3HG LYS 84 -1.632 13.239 -2.947 148 1HD LYS 84 2HD LYS 84 -3.791 15.137 -3.763 149 2HD LYS 84 3HD LYS 84 -2.276 15.752 -3.103 150 1HE LYS 84 2HE LYS 84 -1.548 13.823 -4.997 151 2HE LYS 84 3HE LYS 84 -2.852 14.748 -5.740 152 1HZ LYS 84 1HZ LYS 84 -0.177 15.614 -4.945 153 2HZ LYS 84 2HZ LYS 84 -1.433 16.737 -4.795 154 3HZ LYS 84 3HZ LYS 84 -1.095 16.045 -6.300 155 H GLY 85 HN GLY 85 -2.314 11.387 -0.130 156 1HA GLY 85 1HA GLY 85 -1.846 12.597 1.821 157 2HA GLY 85 2HA GLY 85 -3.240 13.628 1.489 158 H GLU 86 HN GLU 86 -4.633 10.838 1.018 159 HA GLU 86 HA GLU 86 -6.053 10.715 3.401 160 1HB GLU 86 2HB GLU 86 -6.280 9.543 0.964 161 2HB GLU 86 3HB GLU 86 -5.689 8.187 1.905 162 1HG GLU 86 2HG GLU 86 -8.311 9.066 1.629 163 2HG GLU 86 3HG GLU 86 -7.704 7.797 2.670 164 H GLN 87 HN GLN 87 -6.105 8.799 4.877 165 HA GLN 87 HA GLN 87 -3.378 7.830 5.397 166 1HB GLN 87 2HB GLN 87 -5.347 8.419 7.586 167 2HB GLN 87 3HB GLN 87 -3.624 8.123 7.724 168 1HG GLN 87 2HG GLN 87 -3.077 10.240 7.265 169 2HG GLN 87 3HG GLN 87 -4.348 10.417 6.060 170 1HE2 GLN 87 1HE2 GLN 87 -3.618 10.508 9.480 171 2HE2 GLN 87 2HE2 GLN 87 -4.989 11.451 9.945 172 H LEU 88 HN LEU 88 -3.139 5.829 6.211 173 HA LEU 88 HA LEU 88 -5.459 4.113 6.610 174 1HB LEU 88 2HB LEU 88 -3.341 2.972 4.885 175 2HB LEU 88 3HB LEU 88 -5.052 2.612 4.943 176 HG LEU 88 HG LEU 88 -4.476 5.287 3.907 177 1HD1 LEU 88 1HD1 LEU 88 -3.208 4.819 2.105 178 2HD1 LEU 88 2HD1 LEU 88 -2.590 3.541 3.156 179 3HD1 LEU 88 3HD1 LEU 88 -3.833 3.176 1.958 180 1HD2 LEU 88 1HD2 LEU 88 -6.654 3.985 3.901 181 2HD2 LEU 88 2HD2 LEU 88 -6.170 4.726 2.372 182 3HD2 LEU 88 3HD2 LEU 88 -5.927 2.993 2.628 183 H ARG 89 HN ARG 89 -5.113 2.805 8.255 184 HA ARG 89 HA ARG 89 -2.529 2.754 9.495 185 1HB ARG 89 2HB ARG 89 -4.358 2.905 10.985 186 2HB ARG 89 3HB ARG 89 -5.221 1.597 10.187 187 1HG ARG 89 2HG ARG 89 -3.634 0.002 10.993 188 2HG ARG 89 3HG ARG 89 -2.648 1.285 11.681 189 1HD ARG 89 2HD ARG 89 -4.756 1.909 12.993 190 2HD ARG 89 3HD ARG 89 -5.333 0.307 12.565 191 HE ARG 89 HE ARG 89 -2.708 0.423 13.785 192 1HH1 ARG 89 2HH1 ARG 89 -6.138 -0.012 14.285 193 2HH1 ARG 89 1HH1 ARG 89 -5.937 -0.846 15.788 194 1HH2 ARG 89 2HH2 ARG 89 -2.447 -0.673 15.764 195 2HH2 ARG 89 1HH2 ARG 89 -3.845 -1.221 16.629 196 H ILE 90 HN ILE 90 -1.086 1.560 8.479 197 HA ILE 90 HA ILE 90 -1.570 -0.627 6.840 198 HB ILE 90 HB ILE 90 1.000 -0.117 8.339 199 1HG1 ILE 90 2HG1 ILE 90 0.190 1.900 7.168 200 2HG1 ILE 90 3HG1 ILE 90 1.667 1.279 6.464 201 1HG2 ILE 90 1HG2 ILE 90 1.975 -1.632 7.012 202 2HG2 ILE 90 2HG2 ILE 90 0.336 -2.220 6.736 203 3HG2 ILE 90 3HG2 ILE 90 1.074 -1.101 5.590 204 1HD1 ILE 90 1HD1 ILE 90 0.664 1.330 4.496 205 2HD1 ILE 90 2HD1 ILE 90 -0.420 0.059 5.061 206 3HD1 ILE 90 3HD1 ILE 90 -0.876 1.753 5.242 207 H LEU 91 HN LEU 91 -2.421 -2.451 7.336 208 HA LEU 91 HA LEU 91 -2.285 -3.613 9.971 209 1HB LEU 91 2HB LEU 91 -3.312 -4.892 7.443 210 2HB LEU 91 3HB LEU 91 -3.778 -5.252 9.094 211 HG LEU 91 HG LEU 91 -4.395 -2.707 7.599 212 1HD1 LEU 91 1HD1 LEU 91 -5.821 -4.245 6.663 213 2HD1 LEU 91 2HD1 LEU 91 -6.004 -5.154 8.164 214 3HD1 LEU 91 3HD1 LEU 91 -6.787 -3.581 7.982 215 1HD2 LEU 91 1HD2 LEU 91 -6.024 -2.946 9.864 216 2HD2 LEU 91 2HD2 LEU 91 -4.386 -3.310 10.407 217 3HD2 LEU 91 3HD2 LEU 91 -4.726 -1.784 9.590 218 H GLU 92 HN GLU 92 -1.158 -4.326 6.727 219 HA GLU 92 HA GLU 92 1.155 -5.710 7.803 220 1HB GLU 92 2HB GLU 92 -1.044 -7.095 6.593 221 2HB GLU 92 3HB GLU 92 0.371 -7.234 5.556 222 1HG GLU 92 2HG GLU 92 1.167 -8.813 6.876 223 2HG GLU 92 3HG GLU 92 1.257 -7.634 8.188 224 H GLN 93 HN GLN 93 2.933 -5.758 6.331 225 HA GLN 93 HA GLN 93 2.565 -4.126 3.935 226 1HB GLN 93 2HB GLN 93 4.957 -3.226 4.711 227 2HB GLN 93 3HB GLN 93 3.454 -2.442 5.153 228 1HG GLN 93 2HG GLN 93 3.442 -3.712 7.236 229 2HG GLN 93 3HG GLN 93 4.978 -4.409 6.776 230 1HE2 GLN 93 1HE2 GLN 93 3.448 -1.844 8.318 231 2HE2 GLN 93 2HE2 GLN 93 4.827 -0.833 8.562 232 H SER 94 HN SER 94 2.840 -6.932 4.058 233 HA SER 94 HA SER 94 5.579 -7.513 3.319 234 1HB SER 94 2HB SER 94 4.988 -9.496 4.155 235 2HB SER 94 3HB SER 94 3.290 -9.039 4.200 236 HG SER 94 HG SER 94 4.426 -10.789 2.611 237 H GLY 95 HN GLY 95 6.337 -7.646 1.305 238 1HA GLY 95 1HA GLY 95 6.358 -7.770 -1.010 239 2HA GLY 95 2HA GLY 95 4.659 -8.189 -0.954 240 H GLU 96 HN GLU 96 5.643 -6.638 -2.913 241 HA GLU 96 HA GLU 96 5.731 -3.917 -2.688 242 1HB GLU 96 2HB GLU 96 6.122 -4.480 -4.832 243 2HB GLU 96 3HB GLU 96 5.013 -5.846 -4.771 244 1HG GLU 96 2HG GLU 96 3.159 -4.442 -5.073 245 2HG GLU 96 3HG GLU 96 4.153 -2.994 -4.950 246 H TRP 97 HN TRP 97 2.980 -5.940 -2.151 247 HA TRP 97 HA TRP 97 1.232 -3.576 -2.143 248 1HB TRP 97 2HB TRP 97 0.674 -6.506 -2.523 249 2HB TRP 97 3HB TRP 97 -0.604 -5.375 -2.094 250 HD1 TRP 97 1HD TRP 97 1.757 -6.268 -4.973 251 HE1 TRP 97 1HE TRP 97 0.902 -5.138 -7.122 252 HE3 TRP 97 3HE TRP 97 -1.985 -3.430 -2.964 253 HZ2 TRP 97 2HZ TRP 97 -1.094 -3.281 -7.864 254 HZ3 TRP 97 3HZ TRP 97 -3.315 -2.003 -4.452 255 HH2 TRP 97 2HH TRP 97 -2.878 -1.928 -6.853 256 H TRP 98 HN TRP 98 0.725 -2.757 -0.225 257 HA TRP 98 HA TRP 98 1.088 -4.418 2.163 258 1HB TRP 98 2HB TRP 98 1.009 -1.432 1.781 259 2HB TRP 98 3HB TRP 98 1.015 -2.204 3.357 260 HD1 TRP 98 1HD TRP 98 3.173 -4.245 1.261 261 HE1 TRP 98 1HE TRP 98 5.653 -3.651 1.622 262 HE3 TRP 98 3HE TRP 98 2.564 0.169 3.710 263 HZ2 TRP 98 2HZ TRP 98 7.153 -1.548 2.795 264 HZ3 TRP 98 3HZ TRP 98 4.557 1.430 4.419 265 HH2 TRP 98 2HH TRP 98 6.807 0.582 3.973 266 H LYS 99 HN LYS 99 -0.459 -4.645 3.713 267 HA LYS 99 HA LYS 99 -3.199 -4.118 2.885 268 1HB LYS 99 2HB LYS 99 -2.699 -6.344 3.753 269 2HB LYS 99 3HB LYS 99 -2.053 -5.647 5.228 270 1HG LYS 99 2HG LYS 99 -4.442 -6.643 5.222 271 2HG LYS 99 3HG LYS 99 -4.132 -5.124 6.063 272 1HD LYS 99 2HD LYS 99 -5.137 -3.856 4.428 273 2HD LYS 99 3HD LYS 99 -5.026 -5.135 3.215 274 1HE LYS 99 2HE LYS 99 -6.550 -6.070 5.450 275 2HE LYS 99 3HE LYS 99 -7.194 -4.521 4.914 276 1HZ LYS 99 1HZ LYS 99 -8.283 -5.748 3.418 277 2HZ LYS 99 2HZ LYS 99 -7.276 -7.090 3.618 278 3HZ LYS 99 3HZ LYS 99 -6.810 -5.831 2.589 279 H ALA 100 HN ALA 100 -4.069 -2.203 3.441 280 HA ALA 100 HA ALA 100 -3.249 -1.039 6.023 281 1HB ALA 100 1HB ALA 100 -2.659 0.106 3.698 282 2HB ALA 100 2HB ALA 100 -4.288 0.758 3.906 283 3HB ALA 100 3HB ALA 100 -3.058 1.042 5.141 284 H GLN 101 HN GLN 101 -4.775 -0.124 7.323 285 HA GLN 101 HA GLN 101 -7.560 -0.633 6.529 286 1HB GLN 101 2HB GLN 101 -7.032 -1.892 8.504 287 2HB GLN 101 3HB GLN 101 -6.297 -0.501 9.275 288 1HG GLN 101 2HG GLN 101 -8.581 0.553 9.093 289 2HG GLN 101 3HG GLN 101 -9.195 -1.043 8.737 290 1HE2 GLN 101 1HE2 GLN 101 -7.619 0.960 11.130 291 2HE2 GLN 101 2HE2 GLN 101 -7.997 -0.027 12.495 292 H SER 102 HN SER 102 -8.452 1.158 5.814 293 HA SER 102 HA SER 102 -7.504 3.718 6.032 294 1HB SER 102 2HB SER 102 -9.914 2.402 5.155 295 2HB SER 102 3HB SER 102 -10.282 3.926 5.920 296 HG SER 102 HG SER 102 -8.771 3.426 3.628 297 H LEU 103 HN LEU 103 -8.602 5.569 7.194 298 HA LEU 103 HA LEU 103 -9.320 4.725 9.923 299 1HB LEU 103 2HB LEU 103 -7.422 6.858 9.035 300 2HB LEU 103 3HB LEU 103 -8.138 6.861 10.633 301 HG LEU 103 HG LEU 103 -7.230 4.298 10.475 302 1HD1 LEU 103 1HD1 LEU 103 -4.860 4.570 9.639 303 2HD1 LEU 103 2HD1 LEU 103 -6.136 4.472 8.423 304 3HD1 LEU 103 3HD1 LEU 103 -5.428 6.034 8.834 305 1HD2 LEU 103 1HD2 LEU 103 -5.344 6.428 11.384 306 2HD2 LEU 103 2HD2 LEU 103 -6.877 6.184 12.223 307 3HD2 LEU 103 3HD2 LEU 103 -5.713 4.860 12.110 308 H THR 104 HN THR 104 -9.980 6.817 7.274 309 HA THR 104 HA THR 104 -11.778 8.514 8.767 310 HB THR 104 HB THR 104 -11.698 8.293 5.773 311 HG1 THR 104 1HG THR 104 -9.789 9.595 7.416 312 1HG2 THR 104 1HG2 THR 104 -12.213 10.471 7.739 313 2HG2 THR 104 2HG2 THR 104 -13.266 9.851 6.465 314 3HG2 THR 104 3HG2 THR 104 -11.840 10.803 6.048 315 H THR 105 HN THR 105 -11.845 5.861 6.529 316 HA THR 105 HA THR 105 -14.741 5.471 6.880 317 HB THR 105 HB THR 105 -14.789 4.640 4.761 318 HG1 THR 105 1HG THR 105 -12.054 3.959 4.909 319 1HG2 THR 105 1HG2 THR 105 -12.307 6.305 4.607 320 2HG2 THR 105 2HG2 THR 105 -13.966 6.883 4.445 321 3HG2 THR 105 3HG2 THR 105 -13.284 5.803 3.227 322 H GLY 106 HN GLY 106 -11.607 4.079 6.963 323 1HA GLY 106 1HA GLY 106 -10.705 2.432 8.207 324 2HA GLY 106 2HA GLY 106 -12.283 2.048 8.836 325 H GLN 107 HN GLN 107 -12.594 2.141 5.552 326 HA GLN 107 HA GLN 107 -13.076 -0.518 5.194 327 1HB GLN 107 2HB GLN 107 -12.429 1.741 3.418 328 2HB GLN 107 3HB GLN 107 -12.458 0.130 2.727 329 1HG GLN 107 2HG GLN 107 -14.640 0.459 2.491 330 2HG GLN 107 3HG GLN 107 -14.711 0.162 4.226 331 1HE2 GLN 107 1HE2 GLN 107 -14.005 2.827 1.989 332 2HE2 GLN 107 2HE2 GLN 107 -14.904 4.020 2.856 333 H GLU 108 HN GLU 108 -11.875 -2.240 5.176 334 HA GLU 108 HA GLU 108 -8.981 -1.971 5.130 335 1HB GLU 108 2HB GLU 108 -10.733 -4.372 5.630 336 2HB GLU 108 3HB GLU 108 -8.987 -4.366 5.746 337 1HG GLU 108 2HG GLU 108 -9.059 -3.588 7.801 338 2HG GLU 108 3HG GLU 108 -10.090 -2.244 7.323 339 H GLY 109 HN GLY 109 -7.597 -2.994 3.712 340 1HA GLY 109 1HA GLY 109 -8.236 -4.784 1.696 341 2HA GLY 109 2HA GLY 109 -8.492 -3.184 1.021 342 H PHE 110 HN PHE 110 -6.691 -4.498 -0.286 343 HA PHE 110 HA PHE 110 -4.049 -4.108 0.834 344 1HB PHE 110 2HB PHE 110 -5.237 -5.605 -1.412 345 2HB PHE 110 3HB PHE 110 -3.637 -4.955 -1.710 346 HD1 PHE 110 1HD PHE 110 -5.264 -6.461 1.287 347 HD2 PHE 110 2HD PHE 110 -2.059 -6.614 -1.512 348 HE1 PHE 110 1HE PHE 110 -4.279 -8.350 2.520 349 HE2 PHE 110 2HE PHE 110 -1.071 -8.503 -0.283 350 HZ PHE 110 HZ PHE 110 -2.182 -9.373 1.736 351 H ILE 111 HN ILE 111 -2.540 -2.653 0.074 352 HA ILE 111 HA ILE 111 -3.403 -0.797 -2.035 353 HB ILE 111 HB ILE 111 -2.578 1.119 -0.744 354 1HG1 ILE 111 2HG1 ILE 111 -2.515 -0.551 1.740 355 2HG1 ILE 111 3HG1 ILE 111 -1.117 -0.538 0.677 356 1HG2 ILE 111 1HG2 ILE 111 -4.982 0.238 -0.659 357 2HG2 ILE 111 2HG2 ILE 111 -4.586 -0.284 0.980 358 3HG2 ILE 111 3HG2 ILE 111 -4.483 1.425 0.546 359 1HD1 ILE 111 1HD1 ILE 111 -0.498 1.161 1.995 360 2HD1 ILE 111 2HD1 ILE 111 -1.520 2.092 0.898 361 3HD1 ILE 111 3HD1 ILE 111 -2.156 1.557 2.453 362 HA PRO 112 HA PRO 112 0.607 -1.238 -3.756 363 1HB PRO 112 2HB PRO 112 0.898 1.403 -4.601 364 2HB PRO 112 3HB PRO 112 0.117 0.112 -5.517 365 1HG PRO 112 2HG PRO 112 -1.105 2.248 -3.850 366 2HG PRO 112 3HG PRO 112 -1.696 1.508 -5.337 367 1HD PRO 112 2HD PRO 112 -2.707 0.897 -2.929 368 2HD PRO 112 3HD PRO 112 -2.594 -0.288 -4.235 369 H PHE 113 HN PHE 113 2.318 -1.428 -2.409 370 HA PHE 113 HA PHE 113 2.779 0.116 -0.150 371 1HB PHE 113 2HB PHE 113 4.714 -1.110 0.163 372 2HB PHE 113 3HB PHE 113 3.777 -2.177 -0.877 373 HD1 PHE 113 1HD PHE 113 6.910 -1.677 -0.306 374 HD2 PHE 113 2HD PHE 113 4.230 -0.876 -3.512 375 HE1 PHE 113 1HE PHE 113 8.791 -1.743 -1.890 376 HE2 PHE 113 2HE PHE 113 6.106 -0.942 -5.102 377 HZ PHE 113 HZ PHE 113 8.391 -1.376 -4.291 378 H ASN 114 HN ASN 114 3.451 0.903 -3.427 379 HA ASN 114 HA ASN 114 5.334 3.005 -2.636 380 1HB ASN 114 2HB ASN 114 5.583 3.279 -5.149 381 2HB ASN 114 3HB ASN 114 6.160 1.757 -4.480 382 1HD2 ASN 114 1HD2 ASN 114 3.664 3.309 -6.346 383 2HD2 ASN 114 2HD2 ASN 114 3.017 1.868 -7.048 384 H PHE 115 HN PHE 115 2.518 3.158 -1.992 385 HA PHE 115 HA PHE 115 1.735 5.501 -3.611 386 1HB PHE 115 2HB PHE 115 0.354 3.120 -3.242 387 2HB PHE 115 3HB PHE 115 -0.421 4.226 -2.122 388 HD1 PHE 115 1HD PHE 115 -1.335 6.406 -3.026 389 HD2 PHE 115 2HD PHE 115 -0.110 3.187 -5.524 390 HE1 PHE 115 1HE PHE 115 -2.699 7.308 -4.856 391 HE2 PHE 115 2HE PHE 115 -1.471 4.086 -7.357 392 HZ PHE 115 HZ PHE 115 -2.767 6.153 -7.029 393 H VAL 116 HN VAL 116 2.075 4.130 -0.410 394 HA VAL 116 HA VAL 116 1.134 6.653 0.763 395 HB VAL 116 HB VAL 116 0.920 5.362 2.877 396 1HG1 VAL 116 1HG1 VAL 116 -1.204 4.806 2.370 397 2HG1 VAL 116 2HG1 VAL 116 -0.818 5.642 0.867 398 3HG1 VAL 116 3HG1 VAL 116 -0.739 3.882 0.942 399 1HG2 VAL 116 1HG2 VAL 116 1.920 3.375 3.038 400 2HG2 VAL 116 2HG2 VAL 116 0.724 2.740 1.909 401 3HG2 VAL 116 3HG2 VAL 116 2.264 3.354 1.309 402 H ALA 117 HN ALA 117 2.190 7.608 2.477 403 HA ALA 117 HA ALA 117 4.916 6.757 3.102 404 1HB ALA 117 1HB ALA 117 5.725 8.336 1.717 405 2HB ALA 117 2HB ALA 117 4.171 9.161 1.595 406 3HB ALA 117 3HB ALA 117 5.227 9.470 2.973 407 H LYS 118 HN LYS 118 5.508 7.239 5.210 408 HA LYS 118 HA LYS 118 3.728 7.345 7.218 409 1HB LYS 118 2HB LYS 118 6.422 8.713 7.192 410 2HB LYS 118 3HB LYS 118 5.494 8.362 8.644 411 1HG LYS 118 2HG LYS 118 6.750 6.410 6.739 412 2HG LYS 118 3HG LYS 118 7.124 6.665 8.444 413 1HD LYS 118 2HD LYS 118 4.878 5.868 9.038 414 2HD LYS 118 3HD LYS 118 4.541 5.579 7.332 415 1HE LYS 118 2HE LYS 118 5.173 3.509 8.452 416 2HE LYS 118 3HE LYS 118 6.375 3.962 7.243 417 1HZ LYS 118 1HZ LYS 118 7.764 4.851 9.004 418 2HZ LYS 118 2HZ LYS 118 7.410 3.224 9.298 419 3HZ LYS 118 3HZ LYS 118 6.608 4.433 10.166 420 H ALA 119 HN ALA 119 2.530 8.779 8.361 421 HA ALA 119 HA ALA 119 1.801 11.233 7.108 422 1HB ALA 119 1HB ALA 119 0.619 11.526 9.465 423 2HB ALA 119 2HB ALA 119 -0.006 10.415 8.249 424 3HB ALA 119 3HB ALA 119 0.973 9.804 9.587 425 H ASN 120 HN ASN 120 4.394 11.616 7.338 426 HA ASN 120 HA ASN 120 4.619 13.636 9.457 427 1HB ASN 120 2HB ASN 120 7.046 12.991 9.691 428 2HB ASN 120 3HB ASN 120 5.899 11.802 10.303 429 1HD2 ASN 120 1HD2 ASN 120 7.172 10.032 10.085 430 2HD2 ASN 120 2HD2 ASN 120 7.703 9.411 8.563 Start of MODEL 14 1 H ASN 64 HN ASN 64 1.157 2.870 12.878 2 HA ASN 64 HA ASN 64 3.399 2.240 11.274 3 1HB ASN 64 2HB ASN 64 1.386 0.070 11.738 4 2HB ASN 64 3HB ASN 64 2.073 0.255 10.131 5 1HD2 ASN 64 1HD2 ASN 64 2.399 -2.007 11.747 6 2HD2 ASN 64 2HD2 ASN 64 4.076 -2.155 12.133 7 H LEU 65 HN LEU 65 1.242 4.209 11.647 8 HA LEU 65 HA LEU 65 -0.437 3.895 9.336 9 1HB LEU 65 2HB LEU 65 -1.492 4.924 11.138 10 2HB LEU 65 3HB LEU 65 -0.187 6.051 11.401 11 HG LEU 65 HG LEU 65 -0.765 7.159 9.306 12 1HD1 LEU 65 1HD1 LEU 65 -1.919 6.072 7.768 13 2HD1 LEU 65 2HD1 LEU 65 -2.288 4.786 8.921 14 3HD1 LEU 65 3HD1 LEU 65 -3.344 6.194 8.801 15 1HD2 LEU 65 1HD2 LEU 65 -1.741 7.990 11.372 16 2HD2 LEU 65 2HD2 LEU 65 -2.887 8.157 10.042 17 3HD2 LEU 65 3HD2 LEU 65 -3.076 6.850 11.211 18 H VAL 66 HN VAL 66 -0.419 4.959 7.530 19 HA VAL 66 HA VAL 66 1.883 6.689 6.916 20 HB VAL 66 HB VAL 66 1.607 5.739 4.576 21 1HG1 VAL 66 1HG1 VAL 66 2.932 3.636 5.262 22 2HG1 VAL 66 2HG1 VAL 66 3.595 5.220 5.670 23 3HG1 VAL 66 3HG1 VAL 66 2.767 4.266 6.902 24 1HG2 VAL 66 1HG2 VAL 66 0.141 3.637 6.146 25 2HG2 VAL 66 2HG2 VAL 66 -0.482 4.598 4.804 26 3HG2 VAL 66 3HG2 VAL 66 0.775 3.393 4.518 27 H ILE 67 HN ILE 67 1.407 7.633 4.567 28 HA ILE 67 HA ILE 67 -1.349 8.492 4.334 29 HB ILE 67 HB ILE 67 0.712 10.197 5.419 30 1HG1 ILE 67 2HG1 ILE 67 -2.232 10.404 4.873 31 2HG1 ILE 67 3HG1 ILE 67 -1.450 9.999 6.372 32 1HG2 ILE 67 1HG2 ILE 67 -0.610 11.164 2.883 33 2HG2 ILE 67 2HG2 ILE 67 0.209 12.204 4.046 34 3HG2 ILE 67 3HG2 ILE 67 1.121 10.974 3.169 35 1HD1 ILE 67 1HD1 ILE 67 -2.318 12.515 5.468 36 2HD1 ILE 67 2HD1 ILE 67 -1.505 12.121 6.983 37 3HD1 ILE 67 3HD1 ILE 67 -0.557 12.568 5.564 38 H ALA 68 HN ALA 68 -1.976 8.404 2.332 39 HA ALA 68 HA ALA 68 -0.317 7.605 0.232 40 1HB ALA 68 1HB ALA 68 -2.654 8.908 -0.795 41 2HB ALA 68 2HB ALA 68 -2.262 7.189 -0.741 42 3HB ALA 68 3HB ALA 68 -3.068 7.953 0.629 43 H LEU 69 HN LEU 69 0.349 8.640 -1.660 44 HA LEU 69 HA LEU 69 0.639 11.566 -1.439 45 1HB LEU 69 2HB LEU 69 2.549 9.495 -2.507 46 2HB LEU 69 3HB LEU 69 2.754 11.216 -2.778 47 HG LEU 69 HG LEU 69 2.730 9.866 -0.073 48 1HD1 LEU 69 1HD1 LEU 69 5.158 10.822 -0.163 49 2HD1 LEU 69 2HD1 LEU 69 4.795 9.275 -0.925 50 3HD1 LEU 69 3HD1 LEU 69 4.928 10.736 -1.908 51 1HD2 LEU 69 1HD2 LEU 69 3.182 12.735 -0.884 52 2HD2 LEU 69 2HD2 LEU 69 1.850 12.101 0.082 53 3HD2 LEU 69 3HD2 LEU 69 3.492 12.085 0.726 54 H HIS 70 HN HIS 70 -1.209 9.512 -2.942 55 HA HIS 70 HA HIS 70 -1.624 11.133 -5.237 56 1HB HIS 70 2HB HIS 70 -1.217 8.688 -6.552 57 2HB HIS 70 3HB HIS 70 -0.245 10.145 -6.705 58 HD1 HIS 70 1HD HIS 70 1.966 8.925 -7.015 59 HD2 HIS 70 2HD HIS 70 0.012 7.882 -3.504 60 HE1 HIS 70 1HE HIS 70 3.646 7.629 -5.675 61 HE2 HIS 70 2HE HIS 70 2.498 7.178 -3.482 62 H SER 71 HN SER 71 -3.629 10.777 -6.140 63 HA SER 71 HA SER 71 -5.558 9.434 -4.626 64 1HB SER 71 2HB SER 71 -6.112 9.793 -7.520 65 2HB SER 71 3HB SER 71 -7.076 10.261 -6.121 66 HG SER 71 HG SER 71 -6.224 12.084 -7.191 67 H TYR 72 HN TYR 72 -6.063 7.353 -4.460 68 HA TYR 72 HA TYR 72 -4.965 5.510 -6.471 69 1HB TYR 72 2HB TYR 72 -4.338 5.186 -4.061 70 2HB TYR 72 3HB TYR 72 -6.016 4.792 -3.739 71 HD1 TYR 72 1HD TYR 72 -3.716 3.813 -6.522 72 HD2 TYR 72 2HD TYR 72 -6.174 2.534 -3.295 73 HE1 TYR 72 1HE TYR 72 -3.313 1.472 -7.147 74 HE2 TYR 72 2HE TYR 72 -5.765 0.191 -3.906 75 HH TYR 72 HH TYR 72 -4.636 -0.778 -6.798 76 H GLU 73 HN GLU 73 -6.140 3.884 -7.392 77 HA GLU 73 HA GLU 73 -9.021 3.824 -6.966 78 1HB GLU 73 2HB GLU 73 -7.701 4.888 -9.233 79 2HB GLU 73 3HB GLU 73 -8.537 3.429 -9.720 80 1HG GLU 73 2HG GLU 73 -10.623 4.288 -8.991 81 2HG GLU 73 3HG GLU 73 -9.838 5.638 -8.173 82 HA PRO 74 HA PRO 74 -7.438 -0.409 -6.255 83 1HB PRO 74 2HB PRO 74 -10.249 -1.085 -6.225 84 2HB PRO 74 3HB PRO 74 -9.102 -1.059 -4.885 85 1HG PRO 74 2HG PRO 74 -11.047 0.983 -5.715 86 2HG PRO 74 3HG PRO 74 -10.261 0.747 -4.146 87 1HD PRO 74 2HD PRO 74 -9.622 2.813 -5.773 88 2HD PRO 74 3HD PRO 74 -8.412 2.006 -4.748 89 H SER 75 HN SER 75 -6.852 -1.762 -7.788 90 HA SER 75 HA SER 75 -8.614 -2.146 -10.115 91 1HB SER 75 2HB SER 75 -5.651 -1.689 -9.999 92 2HB SER 75 3HB SER 75 -6.337 -2.645 -11.312 93 HG SER 75 HG SER 75 -7.153 -0.017 -10.611 94 H HIS 76 HN HIS 76 -6.144 -3.554 -8.011 95 HA HIS 76 HA HIS 76 -6.499 -6.203 -9.084 96 1HB HIS 76 2HB HIS 76 -4.786 -4.934 -7.016 97 2HB HIS 76 3HB HIS 76 -5.150 -6.642 -6.791 98 HD1 HIS 76 1HD HIS 76 -4.107 -8.306 -8.446 99 HD2 HIS 76 2HD HIS 76 -3.158 -4.338 -9.235 100 HE1 HIS 76 1HE HIS 76 -2.246 -8.383 -10.135 101 HE2 HIS 76 2HE HIS 76 -1.629 -5.972 -10.531 102 H ASP 77 HN ASP 77 -6.905 -8.027 -7.432 103 HA ASP 77 HA ASP 77 -9.524 -7.593 -6.334 104 1HB ASP 77 2HB ASP 77 -9.421 -9.993 -5.748 105 2HB ASP 77 3HB ASP 77 -8.999 -9.705 -7.434 106 H GLY 78 HN GLY 78 -10.155 -7.595 -4.197 107 1HA GLY 78 1HA GLY 78 -9.970 -7.237 -1.934 108 2HA GLY 78 2HA GLY 78 -8.536 -8.248 -2.002 109 H ASP 79 HN ASP 79 -9.092 -5.135 -3.600 110 HA ASP 79 HA ASP 79 -6.758 -4.097 -2.151 111 1HB ASP 79 2HB ASP 79 -7.968 -3.280 -4.792 112 2HB ASP 79 3HB ASP 79 -6.659 -2.407 -4.001 113 H LEU 80 HN LEU 80 -6.765 -1.915 -1.438 114 HA LEU 80 HA LEU 80 -9.453 -0.934 -0.750 115 1HB LEU 80 2HB LEU 80 -8.478 -1.365 1.295 116 2HB LEU 80 3HB LEU 80 -6.863 -1.007 0.725 117 HG LEU 80 HG LEU 80 -7.527 1.426 0.703 118 1HD1 LEU 80 1HD1 LEU 80 -10.019 0.213 1.735 119 2HD1 LEU 80 2HD1 LEU 80 -9.471 1.699 2.515 120 3HD1 LEU 80 3HD1 LEU 80 -9.777 1.674 0.778 121 1HD2 LEU 80 1HD2 LEU 80 -7.600 -0.020 3.346 122 2HD2 LEU 80 2HD2 LEU 80 -6.148 0.457 2.466 123 3HD2 LEU 80 3HD2 LEU 80 -7.233 1.688 3.114 124 H GLY 81 HN GLY 81 -10.043 1.046 -1.433 125 1HA GLY 81 1HA GLY 81 -8.079 2.554 -2.993 126 2HA GLY 81 2HA GLY 81 -9.816 2.759 -3.070 127 H PHE 82 HN PHE 82 -7.518 4.626 -2.609 128 HA PHE 82 HA PHE 82 -8.741 6.055 -0.387 129 1HB PHE 82 2HB PHE 82 -6.300 6.628 0.351 130 2HB PHE 82 3HB PHE 82 -7.051 5.133 0.889 131 HD1 PHE 82 1HD PHE 82 -6.625 3.067 -0.718 132 HD2 PHE 82 2HD PHE 82 -4.170 6.534 -0.502 133 HE1 PHE 82 1HE PHE 82 -4.747 1.794 -1.664 134 HE2 PHE 82 2HE PHE 82 -2.279 5.256 -1.445 135 HZ PHE 82 HZ PHE 82 -2.573 2.885 -2.023 136 H GLU 83 HN GLU 83 -7.522 8.264 -0.165 137 HA GLU 83 HA GLU 83 -7.288 9.329 -2.898 138 1HB GLU 83 2HB GLU 83 -8.640 10.221 -0.482 139 2HB GLU 83 3HB GLU 83 -7.612 11.471 -1.160 140 1HG GLU 83 2HG GLU 83 -8.929 10.448 -3.356 141 2HG GLU 83 3HG GLU 83 -10.152 10.442 -2.087 142 H LYS 84 HN LYS 84 -5.945 11.470 -2.879 143 HA LYS 84 HA LYS 84 -3.296 10.756 -2.063 144 1HB LYS 84 2HB LYS 84 -3.414 11.942 -4.088 145 2HB LYS 84 3HB LYS 84 -4.501 13.147 -3.421 146 1HG LYS 84 2HG LYS 84 -2.543 13.811 -1.915 147 2HG LYS 84 3HG LYS 84 -1.548 12.843 -3.000 148 1HD LYS 84 2HD LYS 84 -1.882 14.260 -4.786 149 2HD LYS 84 3HD LYS 84 -3.381 14.914 -4.125 150 1HE LYS 84 2HE LYS 84 -0.620 15.418 -3.021 151 2HE LYS 84 3HE LYS 84 -1.520 16.532 -4.049 152 1HZ LYS 84 1HZ LYS 84 -3.293 16.460 -2.287 153 2HZ LYS 84 2HZ LYS 84 -1.859 17.241 -1.848 154 3HZ LYS 84 3HZ LYS 84 -2.173 15.675 -1.290 155 H GLY 85 HN GLY 85 -2.259 11.292 -0.246 156 1HA GLY 85 1HA GLY 85 -1.745 12.485 1.704 157 2HA GLY 85 2HA GLY 85 -3.111 13.552 1.375 158 H GLU 86 HN GLU 86 -4.555 10.764 0.950 159 HA GLU 86 HA GLU 86 -5.976 10.716 3.339 160 1HB GLU 86 2HB GLU 86 -6.222 9.497 0.926 161 2HB GLU 86 3HB GLU 86 -5.657 8.152 1.898 162 1HG GLU 86 2HG GLU 86 -8.262 9.075 1.599 163 2HG GLU 86 3HG GLU 86 -7.681 7.818 2.670 164 H GLN 87 HN GLN 87 -6.047 8.826 4.855 165 HA GLN 87 HA GLN 87 -3.322 7.861 5.396 166 1HB GLN 87 2HB GLN 87 -5.312 8.416 7.573 167 2HB GLN 87 3HB GLN 87 -3.581 8.170 7.712 168 1HG GLN 87 2HG GLN 87 -3.098 10.304 7.265 169 2HG GLN 87 3HG GLN 87 -4.353 10.435 6.037 170 1HE2 GLN 87 1HE2 GLN 87 -3.602 10.730 9.415 171 2HE2 GLN 87 2HE2 GLN 87 -5.039 11.573 9.872 172 H LEU 88 HN LEU 88 -3.074 5.856 6.195 173 HA LEU 88 HA LEU 88 -5.389 4.121 6.562 174 1HB LEU 88 2HB LEU 88 -3.250 3.009 4.842 175 2HB LEU 88 3HB LEU 88 -4.961 2.642 4.879 176 HG LEU 88 HG LEU 88 -4.380 5.333 3.884 177 1HD1 LEU 88 1HD1 LEU 88 -3.099 4.889 2.085 178 2HD1 LEU 88 2HD1 LEU 88 -2.488 3.595 3.122 179 3HD1 LEU 88 3HD1 LEU 88 -3.724 3.249 1.909 180 1HD2 LEU 88 1HD2 LEU 88 -5.853 3.020 2.646 181 2HD2 LEU 88 2HD2 LEU 88 -6.568 4.117 3.835 182 3HD2 LEU 88 3HD2 LEU 88 -6.029 4.739 2.273 183 H ARG 89 HN ARG 89 -5.058 2.795 8.190 184 HA ARG 89 HA ARG 89 -2.485 2.717 9.455 185 1HB ARG 89 2HB ARG 89 -4.328 2.860 10.930 186 2HB ARG 89 3HB ARG 89 -5.191 1.567 10.107 187 1HG ARG 89 2HG ARG 89 -3.620 -0.047 10.907 188 2HG ARG 89 3HG ARG 89 -2.635 1.221 11.620 189 1HD ARG 89 2HD ARG 89 -4.763 1.840 12.913 190 2HD ARG 89 3HD ARG 89 -5.328 0.239 12.472 191 HE ARG 89 HE ARG 89 -2.715 0.331 13.705 192 1HH1 ARG 89 2HH1 ARG 89 -6.151 -0.019 14.216 193 2HH1 ARG 89 1HH1 ARG 89 -5.968 -0.829 15.736 194 1HH2 ARG 89 2HH2 ARG 89 -2.475 -0.732 15.705 195 2HH2 ARG 89 1HH2 ARG 89 -3.883 -1.233 16.581 196 H ILE 90 HN ILE 90 -1.041 1.530 8.426 197 HA ILE 90 HA ILE 90 -1.545 -0.647 6.766 198 HB ILE 90 HB ILE 90 1.045 -0.134 8.229 199 1HG1 ILE 90 2HG1 ILE 90 0.175 1.874 7.053 200 2HG1 ILE 90 3HG1 ILE 90 1.683 1.290 6.383 201 1HG2 ILE 90 1HG2 ILE 90 0.288 -2.183 6.498 202 2HG2 ILE 90 2HG2 ILE 90 1.242 -1.072 5.514 203 3HG2 ILE 90 3HG2 ILE 90 1.927 -1.755 6.990 204 1HD1 ILE 90 1HD1 ILE 90 0.758 1.149 4.383 205 2HD1 ILE 90 2HD1 ILE 90 -0.486 0.065 5.003 206 3HD1 ILE 90 3HD1 ILE 90 -0.735 1.810 5.049 207 H LEU 91 HN LEU 91 -2.387 -2.469 7.267 208 HA LEU 91 HA LEU 91 -2.205 -3.646 9.891 209 1HB LEU 91 2HB LEU 91 -3.279 -4.889 7.365 210 2HB LEU 91 3HB LEU 91 -3.698 -5.295 9.019 211 HG LEU 91 HG LEU 91 -4.377 -2.725 7.590 212 1HD1 LEU 91 1HD1 LEU 91 -6.751 -3.713 8.199 213 2HD1 LEU 91 2HD1 LEU 91 -5.918 -4.099 6.693 214 3HD1 LEU 91 3HD1 LEU 91 -5.868 -5.234 8.043 215 1HD2 LEU 91 1HD2 LEU 91 -5.938 -2.772 9.804 216 2HD2 LEU 91 2HD2 LEU 91 -4.457 -3.507 10.417 217 3HD2 LEU 91 3HD2 LEU 91 -4.408 -1.906 9.680 218 H GLU 92 HN GLU 92 -1.138 -4.357 6.618 219 HA GLU 92 HA GLU 92 1.149 -5.804 7.685 220 1HB GLU 92 2HB GLU 92 -1.062 -7.105 6.458 221 2HB GLU 92 3HB GLU 92 0.308 -7.199 5.357 222 1HG GLU 92 2HG GLU 92 1.127 -8.859 6.554 223 2HG GLU 92 3HG GLU 92 1.314 -7.738 7.907 224 H GLN 93 HN GLN 93 2.983 -5.557 6.501 225 HA GLN 93 HA GLN 93 2.737 -3.997 4.034 226 1HB GLN 93 2HB GLN 93 5.082 -3.105 4.909 227 2HB GLN 93 3HB GLN 93 3.565 -2.344 5.350 228 1HG GLN 93 2HG GLN 93 3.522 -3.729 7.377 229 2HG GLN 93 3HG GLN 93 5.095 -4.339 6.927 230 1HE2 GLN 93 1HE2 GLN 93 3.754 -1.072 6.811 231 2HE2 GLN 93 2HE2 GLN 93 4.959 -0.350 7.816 232 H SER 94 HN SER 94 2.967 -6.805 4.233 233 HA SER 94 HA SER 94 5.723 -7.368 3.445 234 1HB SER 94 2HB SER 94 4.177 -9.707 3.218 235 2HB SER 94 3HB SER 94 5.310 -9.302 4.504 236 HG SER 94 HG SER 94 3.014 -9.791 5.075 237 H GLY 95 HN GLY 95 6.284 -7.365 1.377 238 1HA GLY 95 1HA GLY 95 6.085 -7.941 -0.902 239 2HA GLY 95 2HA GLY 95 4.374 -8.225 -0.652 240 H GLU 96 HN GLU 96 5.423 -6.879 -2.813 241 HA GLU 96 HA GLU 96 5.599 -4.142 -2.751 242 1HB GLU 96 2HB GLU 96 6.003 -4.879 -4.848 243 2HB GLU 96 3HB GLU 96 4.816 -6.170 -4.725 244 1HG GLU 96 2HG GLU 96 3.051 -4.686 -5.144 245 2HG GLU 96 3HG GLU 96 4.121 -3.290 -5.085 246 H TRP 97 HN TRP 97 2.819 -6.064 -2.073 247 HA TRP 97 HA TRP 97 1.123 -3.664 -2.195 248 1HB TRP 97 2HB TRP 97 0.501 -6.584 -2.536 249 2HB TRP 97 3HB TRP 97 -0.759 -5.428 -2.119 250 HD1 TRP 97 1HD TRP 97 1.594 -6.384 -4.984 251 HE1 TRP 97 1HE TRP 97 0.768 -5.252 -7.144 252 HE3 TRP 97 3HE TRP 97 -2.106 -3.468 -3.008 253 HZ2 TRP 97 2HZ TRP 97 -1.192 -3.367 -7.905 254 HZ3 TRP 97 3HZ TRP 97 -3.407 -2.028 -4.511 255 HH2 TRP 97 2HH TRP 97 -2.956 -1.975 -6.910 256 H TRP 98 HN TRP 98 0.889 -2.753 -0.262 257 HA TRP 98 HA TRP 98 1.106 -4.382 2.146 258 1HB TRP 98 2HB TRP 98 1.121 -1.407 1.684 259 2HB TRP 98 3HB TRP 98 1.044 -2.116 3.290 260 HD1 TRP 98 1HD TRP 98 3.191 -4.278 1.270 261 HE1 TRP 98 1HE TRP 98 5.677 -3.787 1.727 262 HE3 TRP 98 3HE TRP 98 2.678 0.154 3.715 263 HZ2 TRP 98 2HZ TRP 98 7.219 -1.751 2.956 264 HZ3 TRP 98 3HZ TRP 98 4.694 1.330 4.496 265 HH2 TRP 98 2HH TRP 98 6.921 0.390 4.128 266 H LYS 99 HN LYS 99 -0.478 -4.742 3.568 267 HA LYS 99 HA LYS 99 -3.195 -4.122 2.791 268 1HB LYS 99 2HB LYS 99 -2.740 -6.349 3.655 269 2HB LYS 99 3HB LYS 99 -2.040 -5.673 5.115 270 1HG LYS 99 2HG LYS 99 -4.444 -6.620 5.177 271 2HG LYS 99 3HG LYS 99 -4.089 -5.100 6.002 272 1HD LYS 99 2HD LYS 99 -5.101 -3.824 4.367 273 2HD LYS 99 3HD LYS 99 -5.066 -5.130 3.178 274 1HE LYS 99 2HE LYS 99 -6.540 -5.964 5.490 275 2HE LYS 99 3HE LYS 99 -7.161 -4.418 4.923 276 1HZ LYS 99 1HZ LYS 99 -8.308 -5.620 3.462 277 2HZ LYS 99 2HZ LYS 99 -7.398 -7.018 3.746 278 3HZ LYS 99 3HZ LYS 99 -6.848 -5.862 2.641 279 H ALA 100 HN ALA 100 -4.015 -2.178 3.326 280 HA ALA 100 HA ALA 100 -3.204 -1.035 5.920 281 1HB ALA 100 1HB ALA 100 -3.041 1.066 5.052 282 2HB ALA 100 2HB ALA 100 -2.560 0.121 3.638 283 3HB ALA 100 3HB ALA 100 -4.207 0.749 3.763 284 H GLN 101 HN GLN 101 -4.727 -0.135 7.226 285 HA GLN 101 HA GLN 101 -7.512 -0.606 6.407 286 1HB GLN 101 2HB GLN 101 -7.002 -1.910 8.356 287 2HB GLN 101 3HB GLN 101 -6.264 -0.542 9.163 288 1HG GLN 101 2HG GLN 101 -8.540 0.529 8.990 289 2HG GLN 101 3HG GLN 101 -9.161 -1.054 8.590 290 1HE2 GLN 101 1HE2 GLN 101 -7.561 0.864 11.041 291 2HE2 GLN 101 2HE2 GLN 101 -7.968 -0.148 12.380 292 H SER 102 HN SER 102 -8.378 1.205 5.721 293 HA SER 102 HA SER 102 -7.410 3.751 5.995 294 1HB SER 102 2HB SER 102 -9.824 2.475 5.075 295 2HB SER 102 3HB SER 102 -10.186 3.985 5.870 296 HG SER 102 HG SER 102 -9.640 4.831 4.027 297 H LEU 103 HN LEU 103 -8.532 5.586 7.168 298 HA LEU 103 HA LEU 103 -9.259 4.706 9.883 299 1HB LEU 103 2HB LEU 103 -7.365 6.857 9.029 300 2HB LEU 103 3HB LEU 103 -8.082 6.832 10.627 301 HG LEU 103 HG LEU 103 -7.162 4.272 10.420 302 1HD1 LEU 103 1HD1 LEU 103 -4.784 4.588 9.606 303 2HD1 LEU 103 2HD1 LEU 103 -6.054 4.486 8.384 304 3HD1 LEU 103 3HD1 LEU 103 -5.371 6.053 8.817 305 1HD2 LEU 103 1HD2 LEU 103 -6.828 6.137 12.203 306 2HD2 LEU 103 2HD2 LEU 103 -5.674 4.804 12.083 307 3HD2 LEU 103 3HD2 LEU 103 -5.283 6.379 11.385 308 H THR 104 HN THR 104 -9.906 6.827 7.256 309 HA THR 104 HA THR 104 -11.723 8.503 8.753 310 HB THR 104 HB THR 104 -11.620 8.316 5.759 311 HG1 THR 104 1HG THR 104 -9.854 9.776 5.832 312 1HG2 THR 104 1HG2 THR 104 -13.184 9.873 6.450 313 2HG2 THR 104 2HG2 THR 104 -11.748 10.826 6.067 314 3HG2 THR 104 3HG2 THR 104 -12.149 10.469 7.748 315 H THR 105 HN THR 105 -11.762 5.900 6.454 316 HA THR 105 HA THR 105 -14.657 5.489 6.768 317 HB THR 105 HB THR 105 -14.670 4.681 4.640 318 HG1 THR 105 1HG THR 105 -11.937 4.001 4.802 319 1HG2 THR 105 1HG2 THR 105 -13.837 6.923 4.351 320 2HG2 THR 105 2HG2 THR 105 -13.131 5.851 3.142 321 3HG2 THR 105 3HG2 THR 105 -12.181 6.344 4.546 322 H GLY 106 HN GLY 106 -11.522 4.110 6.902 323 1HA GLY 106 1HA GLY 106 -10.629 2.450 8.128 324 2HA GLY 106 2HA GLY 106 -12.209 2.071 8.754 325 H GLN 107 HN GLN 107 -12.517 2.166 5.470 326 HA GLN 107 HA GLN 107 -13.013 -0.484 5.105 327 1HB GLN 107 2HB GLN 107 -12.339 1.773 3.342 328 2HB GLN 107 3HB GLN 107 -12.359 0.165 2.643 329 1HG GLN 107 2HG GLN 107 -14.538 0.484 2.387 330 2HG GLN 107 3HG GLN 107 -14.631 0.198 4.123 331 1HE2 GLN 107 1HE2 GLN 107 -15.896 1.605 5.074 332 2HE2 GLN 107 2HE2 GLN 107 -16.039 3.283 4.686 333 H GLU 108 HN GLU 108 -11.822 -2.211 5.137 334 HA GLU 108 HA GLU 108 -8.929 -1.976 5.096 335 1HB GLU 108 2HB GLU 108 -10.649 -4.408 5.555 336 2HB GLU 108 3HB GLU 108 -8.923 -4.300 5.818 337 1HG GLU 108 2HG GLU 108 -9.202 -3.469 7.834 338 2HG GLU 108 3HG GLU 108 -10.300 -2.224 7.248 339 H GLY 109 HN GLY 109 -7.550 -2.941 3.655 340 1HA GLY 109 1HA GLY 109 -8.182 -4.786 1.676 341 2HA GLY 109 2HA GLY 109 -8.463 -3.198 0.981 342 H PHE 110 HN PHE 110 -6.667 -4.478 -0.339 343 HA PHE 110 HA PHE 110 -4.012 -4.104 0.744 344 1HB PHE 110 2HB PHE 110 -5.234 -5.489 -1.568 345 2HB PHE 110 3HB PHE 110 -3.610 -4.875 -1.807 346 HD1 PHE 110 1HD PHE 110 -2.212 -6.721 -1.783 347 HD2 PHE 110 2HD PHE 110 -5.211 -6.333 1.213 348 HE1 PHE 110 1HE PHE 110 -1.304 -8.693 -0.626 349 HE2 PHE 110 2HE PHE 110 -4.306 -8.305 2.377 350 HZ PHE 110 HZ PHE 110 -2.351 -9.487 1.457 351 H ILE 111 HN ILE 111 -2.438 -2.725 -0.171 352 HA ILE 111 HA ILE 111 -3.359 -0.784 -2.155 353 HB ILE 111 HB ILE 111 -2.619 1.127 -0.847 354 1HG1 ILE 111 2HG1 ILE 111 -2.388 -0.490 1.646 355 2HG1 ILE 111 3HG1 ILE 111 -1.047 -0.535 0.513 356 1HG2 ILE 111 1HG2 ILE 111 -4.969 0.119 -0.660 357 2HG2 ILE 111 2HG2 ILE 111 -4.465 -0.407 0.947 358 3HG2 ILE 111 3HG2 ILE 111 -4.474 1.310 0.542 359 1HD1 ILE 111 1HD1 ILE 111 -1.576 1.387 2.469 360 2HD1 ILE 111 2HD1 ILE 111 -0.301 1.396 1.250 361 3HD1 ILE 111 3HD1 ILE 111 -1.850 2.170 0.911 362 HA PRO 112 HA PRO 112 0.619 -1.193 -3.957 363 1HB PRO 112 2HB PRO 112 0.901 1.545 -4.592 364 2HB PRO 112 3HB PRO 112 0.251 0.283 -5.638 365 1HG PRO 112 2HG PRO 112 -1.179 2.291 -4.014 366 2HG PRO 112 3HG PRO 112 -1.672 1.485 -5.497 367 1HD PRO 112 2HD PRO 112 -2.705 0.876 -3.080 368 2HD PRO 112 3HD PRO 112 -2.549 -0.304 -4.388 369 H PHE 113 HN PHE 113 2.240 -1.549 -2.522 370 HA PHE 113 HA PHE 113 2.790 -0.200 -0.206 371 1HB PHE 113 2HB PHE 113 4.825 -1.354 -0.098 372 2HB PHE 113 3HB PHE 113 3.801 -2.388 -1.089 373 HD1 PHE 113 1HD PHE 113 3.980 -1.068 -3.712 374 HD2 PHE 113 2HD PHE 113 6.985 -1.786 -0.785 375 HE1 PHE 113 1HE PHE 113 5.695 -1.045 -5.474 376 HE2 PHE 113 2HE PHE 113 8.705 -1.767 -2.543 377 HZ PHE 113 HZ PHE 113 8.062 -1.396 -4.891 378 H ASN 114 HN ASN 114 3.565 0.819 -3.432 379 HA ASN 114 HA ASN 114 5.328 2.925 -2.421 380 1HB ASN 114 2HB ASN 114 5.713 3.363 -4.877 381 2HB ASN 114 3HB ASN 114 6.244 1.785 -4.307 382 1HD2 ASN 114 1HD2 ASN 114 4.564 3.392 -6.661 383 2HD2 ASN 114 2HD2 ASN 114 3.672 2.068 -7.319 384 H PHE 115 HN PHE 115 2.443 2.952 -1.936 385 HA PHE 115 HA PHE 115 1.759 5.428 -3.388 386 1HB PHE 115 2HB PHE 115 0.360 2.982 -3.322 387 2HB PHE 115 3HB PHE 115 -0.568 4.106 -2.346 388 HD1 PHE 115 1HD PHE 115 1.380 4.421 -5.520 389 HD2 PHE 115 2HD PHE 115 -2.317 4.959 -3.496 390 HE1 PHE 115 1HE PHE 115 0.411 5.407 -7.555 391 HE2 PHE 115 2HE PHE 115 -3.292 5.941 -5.512 392 HZ PHE 115 HZ PHE 115 -1.932 6.172 -7.556 393 H VAL 116 HN VAL 116 3.008 4.820 -0.604 394 HA VAL 116 HA VAL 116 1.370 6.782 0.766 395 HB VAL 116 HB VAL 116 1.187 5.390 2.825 396 1HG1 VAL 116 1HG1 VAL 116 -0.256 4.050 0.571 397 2HG1 VAL 116 2HG1 VAL 116 -0.840 4.447 2.186 398 3HG1 VAL 116 3HG1 VAL 116 -0.592 5.728 0.999 399 1HG2 VAL 116 1HG2 VAL 116 2.572 3.478 1.090 400 2HG2 VAL 116 2HG2 VAL 116 2.495 3.560 2.850 401 3HG2 VAL 116 3HG2 VAL 116 1.181 2.810 1.941 402 H ALA 117 HN ALA 117 2.305 7.776 2.516 403 HA ALA 117 HA ALA 117 5.061 7.093 3.215 404 1HB ALA 117 1HB ALA 117 5.266 9.786 3.160 405 2HB ALA 117 2HB ALA 117 5.753 8.740 1.826 406 3HB ALA 117 3HB ALA 117 4.174 9.526 1.800 407 H LYS 118 HN LYS 118 5.516 7.468 5.350 408 HA LYS 118 HA LYS 118 3.662 7.473 7.293 409 1HB LYS 118 2HB LYS 118 6.329 8.886 7.417 410 2HB LYS 118 3HB LYS 118 5.360 8.450 8.819 411 1HG LYS 118 2HG LYS 118 6.715 6.610 6.868 412 2HG LYS 118 3HG LYS 118 7.040 6.801 8.591 413 1HD LYS 118 2HD LYS 118 4.800 5.930 9.095 414 2HD LYS 118 3HD LYS 118 4.507 5.711 7.370 415 1HE LYS 118 2HE LYS 118 6.125 4.015 7.198 416 2HE LYS 118 3HE LYS 118 6.844 4.430 8.754 417 1HZ LYS 118 1HZ LYS 118 4.050 3.639 8.816 418 2HZ LYS 118 2HZ LYS 118 5.309 3.248 9.875 419 3HZ LYS 118 3HZ LYS 118 5.148 2.416 8.412 420 H ALA 119 HN ALA 119 2.406 8.857 8.447 421 HA ALA 119 HA ALA 119 1.692 11.343 7.251 422 1HB ALA 119 1HB ALA 119 -0.133 10.428 8.300 423 2HB ALA 119 2HB ALA 119 0.811 9.848 9.678 424 3HB ALA 119 3HB ALA 119 0.404 11.558 9.542 425 H ASN 120 HN ASN 120 4.276 11.734 7.594 426 HA ASN 120 HA ASN 120 4.460 13.546 9.909 427 1HB ASN 120 2HB ASN 120 6.366 11.512 8.890 428 2HB ASN 120 3HB ASN 120 7.057 13.036 9.436 429 1HD2 ASN 120 1HD2 ASN 120 4.477 10.848 10.518 430 2HD2 ASN 120 2HD2 ASN 120 4.997 10.776 12.164 Start of MODEL 15 1 H ASN 64 HN ASN 64 2.176 3.307 12.768 2 HA ASN 64 HA ASN 64 3.951 2.141 10.752 3 1HB ASN 64 2HB ASN 64 1.454 0.839 11.832 4 2HB ASN 64 3HB ASN 64 2.087 0.458 10.238 5 1HD2 ASN 64 1HD2 ASN 64 1.873 -1.570 11.904 6 2HD2 ASN 64 2HD2 ASN 64 3.413 -2.064 12.511 7 H LEU 65 HN LEU 65 0.884 3.632 11.593 8 HA LEU 65 HA LEU 65 -0.436 3.789 9.249 9 1HB LEU 65 2HB LEU 65 -1.434 4.800 11.092 10 2HB LEU 65 3HB LEU 65 -0.098 5.887 11.360 11 HG LEU 65 HG LEU 65 -0.697 7.079 9.311 12 1HD1 LEU 65 1HD1 LEU 65 -2.285 4.754 8.889 13 2HD1 LEU 65 2HD1 LEU 65 -3.311 6.186 8.846 14 3HD1 LEU 65 3HD1 LEU 65 -1.918 6.068 7.768 15 1HD2 LEU 65 1HD2 LEU 65 -2.843 8.040 10.122 16 2HD2 LEU 65 2HD2 LEU 65 -2.915 6.747 11.319 17 3HD2 LEU 65 3HD2 LEU 65 -1.602 7.924 11.371 18 H VAL 66 HN VAL 66 -0.463 4.919 7.464 19 HA VAL 66 HA VAL 66 1.849 6.635 6.842 20 HB VAL 66 HB VAL 66 1.539 5.739 4.495 21 1HG1 VAL 66 1HG1 VAL 66 2.924 3.719 4.985 22 2HG1 VAL 66 2HG1 VAL 66 3.503 5.209 5.732 23 3HG1 VAL 66 3HG1 VAL 66 2.628 4.020 6.698 24 1HG2 VAL 66 1HG2 VAL 66 0.654 3.429 4.360 25 2HG2 VAL 66 2HG2 VAL 66 0.074 3.602 6.016 26 3HG2 VAL 66 3HG2 VAL 66 -0.577 4.633 4.741 27 H ILE 67 HN ILE 67 1.346 7.597 4.502 28 HA ILE 67 HA ILE 67 -1.399 8.489 4.292 29 HB ILE 67 HB ILE 67 0.682 10.179 5.385 30 1HG1 ILE 67 2HG1 ILE 67 -2.275 10.361 4.904 31 2HG1 ILE 67 3HG1 ILE 67 -1.453 9.979 6.386 32 1HG2 ILE 67 1HG2 ILE 67 -0.697 11.183 2.894 33 2HG2 ILE 67 2HG2 ILE 67 0.166 12.199 4.048 34 3HG2 ILE 67 3HG2 ILE 67 1.039 10.973 3.126 35 1HD1 ILE 67 1HD1 ILE 67 -1.514 12.103 6.987 36 2HD1 ILE 67 2HD1 ILE 67 -0.626 12.560 5.532 37 3HD1 ILE 67 3HD1 ILE 67 -2.389 12.470 5.499 38 H ALA 68 HN ALA 68 -2.027 8.568 2.278 39 HA ALA 68 HA ALA 68 -0.327 7.783 0.171 40 1HB ALA 68 1HB ALA 68 -3.091 8.086 0.559 41 2HB ALA 68 2HB ALA 68 -2.673 9.062 -0.850 42 3HB ALA 68 3HB ALA 68 -2.262 7.348 -0.811 43 H LEU 69 HN LEU 69 0.356 8.894 -1.675 44 HA LEU 69 HA LEU 69 0.683 11.789 -1.264 45 1HB LEU 69 2HB LEU 69 2.418 9.772 -2.676 46 2HB LEU 69 3HB LEU 69 2.647 11.503 -2.846 47 HG LEU 69 HG LEU 69 2.869 9.916 -0.283 48 1HD1 LEU 69 1HD1 LEU 69 5.253 10.922 -0.472 49 2HD1 LEU 69 2HD1 LEU 69 4.844 9.489 -1.416 50 3HD1 LEU 69 3HD1 LEU 69 4.870 11.077 -2.185 51 1HD2 LEU 69 1HD2 LEU 69 1.965 12.073 0.230 52 2HD2 LEU 69 2HD2 LEU 69 3.675 12.073 0.665 53 3HD2 LEU 69 3HD2 LEU 69 3.142 12.870 -0.815 54 H HIS 70 HN HIS 70 -0.995 9.565 -3.089 55 HA HIS 70 HA HIS 70 -1.782 11.598 -4.988 56 1HB HIS 70 2HB HIS 70 -1.558 9.776 -6.863 57 2HB HIS 70 3HB HIS 70 -0.184 10.783 -6.439 58 HD1 HIS 70 1HD HIS 70 -0.663 7.544 -7.407 59 HD2 HIS 70 2HD HIS 70 1.174 9.173 -4.066 60 HE1 HIS 70 1HE HIS 70 0.924 5.776 -6.588 61 HE2 HIS 70 2HE HIS 70 2.162 6.868 -4.686 62 H SER 71 HN SER 71 -3.550 10.618 -6.496 63 HA SER 71 HA SER 71 -5.518 9.438 -4.750 64 1HB SER 71 2HB SER 71 -6.103 9.749 -7.644 65 2HB SER 71 3HB SER 71 -7.080 10.186 -6.243 66 HG SER 71 HG SER 71 -6.145 12.099 -6.164 67 H TYR 72 HN TYR 72 -5.942 7.344 -4.559 68 HA TYR 72 HA TYR 72 -4.786 5.516 -6.551 69 1HB TYR 72 2HB TYR 72 -4.133 5.178 -4.180 70 2HB TYR 72 3HB TYR 72 -5.814 4.854 -3.791 71 HD1 TYR 72 1HD TYR 72 -3.692 3.718 -6.647 72 HD2 TYR 72 2HD TYR 72 -5.987 2.612 -3.246 73 HE1 TYR 72 1HE TYR 72 -3.380 1.349 -7.216 74 HE2 TYR 72 2HE TYR 72 -5.677 0.238 -3.800 75 HH TYR 72 HH TYR 72 -5.198 -1.107 -5.913 76 H GLU 73 HN GLU 73 -5.931 3.862 -7.486 77 HA GLU 73 HA GLU 73 -8.818 3.782 -7.076 78 1HB GLU 73 2HB GLU 73 -7.481 4.794 -9.352 79 2HB GLU 73 3HB GLU 73 -8.296 3.315 -9.813 80 1HG GLU 73 2HG GLU 73 -10.400 4.168 -9.154 81 2HG GLU 73 3HG GLU 73 -9.648 5.536 -8.329 82 HA PRO 74 HA PRO 74 -7.234 -0.432 -6.259 83 1HB PRO 74 2HB PRO 74 -10.032 -1.117 -6.166 84 2HB PRO 74 3HB PRO 74 -8.874 -1.025 -4.840 85 1HG PRO 74 2HG PRO 74 -10.844 0.965 -5.740 86 2HG PRO 74 3HG PRO 74 -10.057 0.789 -4.163 87 1HD PRO 74 2HD PRO 74 -9.434 2.801 -5.863 88 2HD PRO 74 3HD PRO 74 -8.219 2.044 -4.808 89 H SER 75 HN SER 75 -6.627 -1.746 -7.821 90 HA SER 75 HA SER 75 -8.439 -2.189 -10.102 91 1HB SER 75 2HB SER 75 -6.107 -0.941 -10.387 92 2HB SER 75 3HB SER 75 -5.498 -2.595 -10.418 93 HG SER 75 HG SER 75 -7.214 -2.928 -12.065 94 H HIS 76 HN HIS 76 -5.984 -3.590 -7.983 95 HA HIS 76 HA HIS 76 -6.398 -6.260 -8.984 96 1HB HIS 76 2HB HIS 76 -4.645 -4.975 -6.955 97 2HB HIS 76 3HB HIS 76 -5.020 -6.679 -6.714 98 HD1 HIS 76 1HD HIS 76 -3.592 -4.411 -9.406 99 HD2 HIS 76 2HD HIS 76 -3.454 -8.370 -8.153 100 HE1 HIS 76 1HE HIS 76 -1.854 -5.513 -10.850 101 HE2 HIS 76 2HE HIS 76 -1.712 -7.880 -10.000 102 H ASP 77 HN ASP 77 -7.143 -8.039 -7.651 103 HA ASP 77 HA ASP 77 -9.605 -7.467 -6.375 104 1HB ASP 77 2HB ASP 77 -9.519 -9.926 -5.753 105 2HB ASP 77 3HB ASP 77 -9.406 -9.568 -7.473 106 H GLY 78 HN GLY 78 -10.200 -7.497 -4.226 107 1HA GLY 78 1HA GLY 78 -9.957 -7.268 -1.951 108 2HA GLY 78 2HA GLY 78 -8.541 -8.297 -2.094 109 H ASP 79 HN ASP 79 -9.062 -5.126 -3.582 110 HA ASP 79 HA ASP 79 -6.722 -4.164 -2.086 111 1HB ASP 79 2HB ASP 79 -7.822 -3.325 -4.768 112 2HB ASP 79 3HB ASP 79 -6.534 -2.468 -3.930 113 H LEU 80 HN LEU 80 -6.695 -1.978 -1.376 114 HA LEU 80 HA LEU 80 -9.379 -0.934 -0.774 115 1HB LEU 80 2HB LEU 80 -8.472 -1.387 1.300 116 2HB LEU 80 3HB LEU 80 -6.836 -1.047 0.784 117 HG LEU 80 HG LEU 80 -7.503 1.398 0.726 118 1HD1 LEU 80 1HD1 LEU 80 -9.995 0.179 1.740 119 2HD1 LEU 80 2HD1 LEU 80 -9.455 1.659 2.536 120 3HD1 LEU 80 3HD1 LEU 80 -9.750 1.649 0.797 121 1HD2 LEU 80 1HD2 LEU 80 -7.574 -0.050 3.366 122 2HD2 LEU 80 2HD2 LEU 80 -6.124 0.446 2.492 123 3HD2 LEU 80 3HD2 LEU 80 -7.225 1.663 3.140 124 H GLY 81 HN GLY 81 -9.912 1.021 -1.538 125 1HA GLY 81 1HA GLY 81 -7.863 2.501 -3.010 126 2HA GLY 81 2HA GLY 81 -9.593 2.730 -3.157 127 H PHE 82 HN PHE 82 -7.346 4.620 -2.648 128 HA PHE 82 HA PHE 82 -8.619 5.998 -0.418 129 1HB PHE 82 2HB PHE 82 -6.200 6.632 0.330 130 2HB PHE 82 3HB PHE 82 -6.907 5.111 0.848 131 HD1 PHE 82 1HD PHE 82 -4.091 6.627 -0.571 132 HD2 PHE 82 2HD PHE 82 -6.397 3.059 -0.726 133 HE1 PHE 82 1HE PHE 82 -2.157 5.423 -1.513 134 HE2 PHE 82 2HE PHE 82 -4.473 1.856 -1.676 135 HZ PHE 82 HZ PHE 82 -2.351 3.036 -2.065 136 H GLU 83 HN GLU 83 -7.500 8.238 -0.165 137 HA GLU 83 HA GLU 83 -7.280 9.349 -2.881 138 1HB GLU 83 2HB GLU 83 -8.688 10.155 -0.467 139 2HB GLU 83 3HB GLU 83 -7.699 11.453 -1.113 140 1HG GLU 83 2HG GLU 83 -8.953 10.418 -3.340 141 2HG GLU 83 3HG GLU 83 -10.188 10.344 -2.086 142 H LYS 84 HN LYS 84 -6.019 11.521 -2.844 143 HA LYS 84 HA LYS 84 -3.347 10.916 -2.031 144 1HB LYS 84 2HB LYS 84 -3.434 12.129 -4.009 145 2HB LYS 84 3HB LYS 84 -4.688 13.202 -3.417 146 1HG LYS 84 2HG LYS 84 -2.815 14.004 -1.777 147 2HG LYS 84 3HG LYS 84 -1.739 13.295 -2.979 148 1HD LYS 84 2HD LYS 84 -3.871 15.332 -3.593 149 2HD LYS 84 3HD LYS 84 -2.174 15.725 -3.312 150 1HE LYS 84 2HE LYS 84 -1.746 13.958 -5.179 151 2HE LYS 84 3HE LYS 84 -3.433 14.262 -5.595 152 1HZ LYS 84 1HZ LYS 84 -2.863 16.648 -5.748 153 2HZ LYS 84 2HZ LYS 84 -2.049 15.696 -6.885 154 3HZ LYS 84 3HZ LYS 84 -1.234 16.255 -5.511 155 H GLY 85 HN GLY 85 -2.380 11.396 -0.173 156 1HA GLY 85 1HA GLY 85 -1.888 12.587 1.785 157 2HA GLY 85 2HA GLY 85 -3.277 13.629 1.468 158 H GLU 86 HN GLU 86 -4.661 10.823 0.992 159 HA GLU 86 HA GLU 86 -6.079 10.707 3.378 160 1HB GLU 86 2HB GLU 86 -6.306 9.526 0.944 161 2HB GLU 86 3HB GLU 86 -5.714 8.176 1.892 162 1HG GLU 86 2HG GLU 86 -8.335 9.049 1.611 163 2HG GLU 86 3HG GLU 86 -7.728 7.788 2.663 164 H GLN 87 HN GLN 87 -6.118 8.796 4.862 165 HA GLN 87 HA GLN 87 -3.383 7.848 5.378 166 1HB GLN 87 2HB GLN 87 -5.362 8.396 7.569 167 2HB GLN 87 3HB GLN 87 -3.633 8.131 7.705 168 1HG GLN 87 2HG GLN 87 -3.128 10.261 7.267 169 2HG GLN 87 3HG GLN 87 -4.386 10.417 6.048 170 1HE2 GLN 87 1HE2 GLN 87 -4.692 9.469 9.430 171 2HE2 GLN 87 2HE2 GLN 87 -5.701 10.791 9.899 172 H LEU 88 HN LEU 88 -3.132 5.839 6.218 173 HA LEU 88 HA LEU 88 -5.449 4.105 6.565 174 1HB LEU 88 2HB LEU 88 -3.292 3.005 4.856 175 2HB LEU 88 3HB LEU 88 -4.994 2.603 4.904 176 HG LEU 88 HG LEU 88 -4.459 5.297 3.880 177 1HD1 LEU 88 1HD1 LEU 88 -3.198 4.842 2.070 178 2HD1 LEU 88 2HD1 LEU 88 -2.567 3.559 3.107 179 3HD1 LEU 88 3HD1 LEU 88 -3.818 3.198 1.916 180 1HD2 LEU 88 1HD2 LEU 88 -6.177 4.743 2.390 181 2HD2 LEU 88 2HD2 LEU 88 -5.896 3.007 2.583 182 3HD2 LEU 88 3HD2 LEU 88 -6.620 3.941 3.899 183 H ARG 89 HN ARG 89 -5.119 2.816 8.217 184 HA ARG 89 HA ARG 89 -2.545 2.758 9.474 185 1HB ARG 89 2HB ARG 89 -4.389 2.929 10.947 186 2HB ARG 89 3HB ARG 89 -5.238 1.603 10.165 187 1HG ARG 89 2HG ARG 89 -3.652 0.030 11.000 188 2HG ARG 89 3HG ARG 89 -2.661 1.325 11.656 189 1HD ARG 89 2HD ARG 89 -4.802 1.973 12.944 190 2HD ARG 89 3HD ARG 89 -5.314 0.329 12.603 191 HE ARG 89 HE ARG 89 -3.177 1.173 14.379 192 1HH1 ARG 89 2HH1 ARG 89 -4.741 -1.479 12.726 193 2HH1 ARG 89 1HH1 ARG 89 -4.090 -2.683 13.786 194 1HH2 ARG 89 2HH2 ARG 89 -2.320 -0.416 15.767 195 2HH2 ARG 89 1HH2 ARG 89 -2.719 -2.081 15.510 196 H ILE 90 HN ILE 90 -1.118 1.576 8.437 197 HA ILE 90 HA ILE 90 -1.568 -0.634 6.830 198 HB ILE 90 HB ILE 90 0.978 -0.118 8.371 199 1HG1 ILE 90 2HG1 ILE 90 0.235 1.904 7.192 200 2HG1 ILE 90 3HG1 ILE 90 1.682 1.240 6.464 201 1HG2 ILE 90 1HG2 ILE 90 1.985 -1.614 7.039 202 2HG2 ILE 90 2HG2 ILE 90 0.352 -2.234 6.797 203 3HG2 ILE 90 3HG2 ILE 90 1.057 -1.124 5.620 204 1HD1 ILE 90 1HD1 ILE 90 -0.944 1.684 5.326 205 2HD1 ILE 90 2HD1 ILE 90 0.611 1.436 4.531 206 3HD1 ILE 90 3HD1 ILE 90 -0.348 0.047 5.044 207 H LEU 91 HN LEU 91 -2.465 -2.441 7.361 208 HA LEU 91 HA LEU 91 -2.315 -3.579 10.007 209 1HB LEU 91 2HB LEU 91 -3.375 -4.887 7.508 210 2HB LEU 91 3HB LEU 91 -3.835 -5.210 9.169 211 HG LEU 91 HG LEU 91 -4.429 -2.675 7.646 212 1HD1 LEU 91 1HD1 LEU 91 -5.967 -3.998 6.693 213 2HD1 LEU 91 2HD1 LEU 91 -5.929 -5.182 8.001 214 3HD1 LEU 91 3HD1 LEU 91 -6.840 -3.682 8.192 215 1HD2 LEU 91 1HD2 LEU 91 -4.449 -3.273 10.452 216 2HD2 LEU 91 2HD2 LEU 91 -4.787 -1.750 9.631 217 3HD2 LEU 91 3HD2 LEU 91 -6.083 -2.914 9.897 218 H GLU 92 HN GLU 92 -1.236 -4.329 6.759 219 HA GLU 92 HA GLU 92 1.077 -5.736 7.811 220 1HB GLU 92 2HB GLU 92 -1.157 -7.087 6.615 221 2HB GLU 92 3HB GLU 92 0.253 -7.252 5.575 222 1HG GLU 92 2HG GLU 92 1.011 -8.850 6.890 223 2HG GLU 92 3HG GLU 92 1.149 -7.670 8.197 224 H GLN 93 HN GLN 93 2.817 -5.868 6.249 225 HA GLN 93 HA GLN 93 2.427 -4.231 3.870 226 1HB GLN 93 2HB GLN 93 4.815 -3.303 4.596 227 2HB GLN 93 3HB GLN 93 3.316 -2.526 5.067 228 1HG GLN 93 2HG GLN 93 3.369 -3.806 7.155 229 2HG GLN 93 3HG GLN 93 4.918 -4.450 6.665 230 1HE2 GLN 93 1HE2 GLN 93 6.705 -3.000 6.453 231 2HE2 GLN 93 2HE2 GLN 93 6.744 -1.528 7.358 232 H SER 94 HN SER 94 2.713 -7.034 4.056 233 HA SER 94 HA SER 94 5.441 -7.649 3.323 234 1HB SER 94 2HB SER 94 4.816 -9.628 4.145 235 2HB SER 94 3HB SER 94 3.127 -9.134 4.196 236 HG SER 94 HG SER 94 2.833 -9.923 2.167 237 H GLY 95 HN GLY 95 6.220 -7.797 1.316 238 1HA GLY 95 1HA GLY 95 6.264 -7.924 -1.000 239 2HA GLY 95 2HA GLY 95 4.559 -8.326 -0.957 240 H GLU 96 HN GLU 96 5.547 -6.799 -2.917 241 HA GLU 96 HA GLU 96 5.678 -4.078 -2.711 242 1HB GLU 96 2HB GLU 96 6.042 -4.668 -4.853 243 2HB GLU 96 3HB GLU 96 4.906 -6.011 -4.772 244 1HG GLU 96 2HG GLU 96 3.078 -4.571 -5.066 245 2HG GLU 96 3HG GLU 96 4.103 -3.143 -4.968 246 H TRP 97 HN TRP 97 2.903 -6.051 -2.119 247 HA TRP 97 HA TRP 97 1.194 -3.659 -2.120 248 1HB TRP 97 2HB TRP 97 0.581 -6.583 -2.476 249 2HB TRP 97 3HB TRP 97 -0.673 -5.420 -2.058 250 HD1 TRP 97 1HD TRP 97 1.664 -6.397 -4.929 251 HE1 TRP 97 1HE TRP 97 0.835 -5.268 -7.089 252 HE3 TRP 97 3HE TRP 97 -2.007 -3.450 -2.946 253 HZ2 TRP 97 2HZ TRP 97 -1.116 -3.372 -7.848 254 HZ3 TRP 97 3HZ TRP 97 -3.305 -2.008 -4.449 255 HH2 TRP 97 2HH TRP 97 -2.867 -1.965 -6.849 256 H TRP 98 HN TRP 98 0.732 -2.818 -0.199 257 HA TRP 98 HA TRP 98 1.069 -4.473 2.193 258 1HB TRP 98 2HB TRP 98 1.013 -1.485 1.817 259 2HB TRP 98 3HB TRP 98 1.064 -2.273 3.385 260 HD1 TRP 98 1HD TRP 98 3.154 -4.364 1.322 261 HE1 TRP 98 1HE TRP 98 5.644 -3.753 1.564 262 HE3 TRP 98 3HE TRP 98 2.621 0.166 3.551 263 HZ2 TRP 98 2HZ TRP 98 7.180 -1.589 2.572 264 HZ3 TRP 98 3HZ TRP 98 4.633 1.470 4.124 265 HH2 TRP 98 2HH TRP 98 6.869 0.602 3.646 266 H LYS 99 HN LYS 99 -0.489 -4.713 3.717 267 HA LYS 99 HA LYS 99 -3.216 -4.139 2.902 268 1HB LYS 99 2HB LYS 99 -2.756 -6.358 3.789 269 2HB LYS 99 3HB LYS 99 -2.075 -5.664 5.250 270 1HG LYS 99 2HG LYS 99 -4.478 -6.614 5.294 271 2HG LYS 99 3HG LYS 99 -4.133 -5.087 6.107 272 1HD LYS 99 2HD LYS 99 -5.137 -3.829 4.461 273 2HD LYS 99 3HD LYS 99 -5.069 -5.132 3.272 274 1HE LYS 99 2HE LYS 99 -6.577 -6.000 5.541 275 2HE LYS 99 3HE LYS 99 -7.195 -4.443 4.997 276 1HZ LYS 99 1HZ LYS 99 -6.855 -5.825 2.687 277 2HZ LYS 99 2HZ LYS 99 -8.323 -5.629 3.505 278 3HZ LYS 99 3HZ LYS 99 -7.395 -7.021 3.756 279 H ALA 100 HN ALA 100 -4.066 -2.209 3.433 280 HA ALA 100 HA ALA 100 -3.242 -1.020 6.003 281 1HB ALA 100 1HB ALA 100 -2.630 0.105 3.686 282 2HB ALA 100 2HB ALA 100 -4.272 0.740 3.843 283 3HB ALA 100 3HB ALA 100 -3.075 1.062 5.102 284 H GLN 101 HN GLN 101 -4.771 -0.131 7.312 285 HA GLN 101 HA GLN 101 -7.554 -0.632 6.504 286 1HB GLN 101 2HB GLN 101 -7.037 -1.888 8.480 287 2HB GLN 101 3HB GLN 101 -6.297 -0.500 9.253 288 1HG GLN 101 2HG GLN 101 -8.578 0.563 9.070 289 2HG GLN 101 3HG GLN 101 -9.197 -1.031 8.711 290 1HE2 GLN 101 1HE2 GLN 101 -7.646 0.978 11.109 291 2HE2 GLN 101 2HE2 GLN 101 -8.018 -0.016 12.472 292 H SER 102 HN SER 102 -8.448 1.157 5.784 293 HA SER 102 HA SER 102 -7.505 3.720 6.006 294 1HB SER 102 2HB SER 102 -9.910 2.399 5.118 295 2HB SER 102 3HB SER 102 -10.284 3.923 5.883 296 HG SER 102 HG SER 102 -9.775 3.954 3.552 297 H LEU 103 HN LEU 103 -8.597 5.566 7.169 298 HA LEU 103 HA LEU 103 -9.327 4.715 9.893 299 1HB LEU 103 2HB LEU 103 -7.437 6.859 9.015 300 2HB LEU 103 3HB LEU 103 -8.157 6.853 10.612 301 HG LEU 103 HG LEU 103 -7.235 4.298 10.456 302 1HD1 LEU 103 1HD1 LEU 103 -6.150 4.480 8.394 303 2HD1 LEU 103 2HD1 LEU 103 -5.435 6.037 8.813 304 3HD1 LEU 103 3HD1 LEU 103 -4.873 4.567 9.608 305 1HD2 LEU 103 1HD2 LEU 103 -5.714 4.871 12.085 306 2HD2 LEU 103 2HD2 LEU 103 -5.356 6.439 11.353 307 3HD2 LEU 103 3HD2 LEU 103 -6.886 6.189 12.196 308 H THR 104 HN THR 104 -9.992 6.814 7.249 309 HA THR 104 HA THR 104 -11.800 8.497 8.748 310 HB THR 104 HB THR 104 -11.719 8.294 5.754 311 HG1 THR 104 1HG THR 104 -9.858 9.751 7.319 312 1HG2 THR 104 1HG2 THR 104 -13.287 9.846 6.454 313 2HG2 THR 104 2HG2 THR 104 -11.860 10.803 6.046 314 3HG2 THR 104 3HG2 THR 104 -12.238 10.457 7.733 315 H THR 105 HN THR 105 -11.853 5.870 6.480 316 HA THR 105 HA THR 105 -14.747 5.466 6.818 317 HB THR 105 HB THR 105 -14.779 4.641 4.696 318 HG1 THR 105 1HG THR 105 -12.043 3.970 4.837 319 1HG2 THR 105 1HG2 THR 105 -13.954 6.885 4.388 320 2HG2 THR 105 2HG2 THR 105 -13.262 5.806 3.175 321 3HG2 THR 105 3HG2 THR 105 -12.296 6.307 4.565 322 H GLY 106 HN GLY 106 -11.611 4.084 6.928 323 1HA GLY 106 1HA GLY 106 -10.714 2.433 8.168 324 2HA GLY 106 2HA GLY 106 -12.294 2.052 8.794 325 H GLN 107 HN GLN 107 -12.586 2.142 5.505 326 HA GLN 107 HA GLN 107 -13.078 -0.514 5.149 327 1HB GLN 107 2HB GLN 107 -12.407 1.738 3.375 328 2HB GLN 107 3HB GLN 107 -12.432 0.125 2.685 329 1HG GLN 107 2HG GLN 107 -14.610 0.455 2.429 330 2HG GLN 107 3HG GLN 107 -14.700 0.166 4.166 331 1HE2 GLN 107 1HE2 GLN 107 -14.074 2.788 1.859 332 2HE2 GLN 107 2HE2 GLN 107 -14.939 3.999 2.736 333 H GLU 108 HN GLU 108 -11.882 -2.239 5.164 334 HA GLU 108 HA GLU 108 -8.989 -1.985 5.136 335 1HB GLU 108 2HB GLU 108 -10.746 -4.384 5.623 336 2HB GLU 108 3HB GLU 108 -9.006 -4.365 5.782 337 1HG GLU 108 2HG GLU 108 -9.131 -3.572 7.828 338 2HG GLU 108 3HG GLU 108 -10.162 -2.239 7.317 339 H GLY 109 HN GLY 109 -7.599 -2.988 3.723 340 1HA GLY 109 1HA GLY 109 -8.219 -4.802 1.718 341 2HA GLY 109 2HA GLY 109 -8.476 -3.207 1.032 342 H PHE 110 HN PHE 110 -6.661 -4.525 -0.256 343 HA PHE 110 HA PHE 110 -4.029 -4.115 0.881 344 1HB PHE 110 2HB PHE 110 -5.193 -5.616 -1.384 345 2HB PHE 110 3HB PHE 110 -3.574 -4.991 -1.632 346 HD1 PHE 110 1HD PHE 110 -5.295 -6.437 1.340 347 HD2 PHE 110 2HD PHE 110 -2.054 -6.704 -1.407 348 HE1 PHE 110 1HE PHE 110 -4.381 -8.339 2.607 349 HE2 PHE 110 2HE PHE 110 -1.135 -8.606 -0.145 350 HZ PHE 110 HZ PHE 110 -2.300 -9.426 1.865 351 H ILE 111 HN ILE 111 -2.519 -2.664 0.116 352 HA ILE 111 HA ILE 111 -3.382 -0.818 -2.004 353 HB ILE 111 HB ILE 111 -2.536 1.097 -0.722 354 1HG1 ILE 111 2HG1 ILE 111 -2.496 -0.550 1.773 355 2HG1 ILE 111 3HG1 ILE 111 -1.102 -0.589 0.705 356 1HG2 ILE 111 1HG2 ILE 111 -4.439 1.423 0.564 357 2HG2 ILE 111 2HG2 ILE 111 -4.948 0.236 -0.634 358 3HG2 ILE 111 3HG2 ILE 111 -4.555 -0.282 1.006 359 1HD1 ILE 111 1HD1 ILE 111 -1.417 2.050 0.888 360 2HD1 ILE 111 2HD1 ILE 111 -2.085 1.565 2.447 361 3HD1 ILE 111 3HD1 ILE 111 -0.438 1.107 2.012 362 HA PRO 112 HA PRO 112 0.611 -1.268 -3.763 363 1HB PRO 112 2HB PRO 112 0.909 1.408 -4.538 364 2HB PRO 112 3HB PRO 112 0.167 0.128 -5.499 365 1HG PRO 112 2HG PRO 112 -1.120 2.227 -3.848 366 2HG PRO 112 3HG PRO 112 -1.685 1.461 -5.326 367 1HD PRO 112 2HD PRO 112 -2.686 0.869 -2.902 368 2HD PRO 112 3HD PRO 112 -2.583 -0.317 -4.208 369 H PHE 113 HN PHE 113 2.298 -1.522 -2.404 370 HA PHE 113 HA PHE 113 2.808 -0.086 -0.108 371 1HB PHE 113 2HB PHE 113 4.810 -1.265 0.075 372 2HB PHE 113 3HB PHE 113 3.812 -2.317 -0.921 373 HD1 PHE 113 1HD PHE 113 6.976 -1.804 -0.547 374 HD2 PHE 113 2HD PHE 113 4.086 -0.977 -3.558 375 HE1 PHE 113 1HE PHE 113 8.750 -1.831 -2.252 376 HE2 PHE 113 2HE PHE 113 5.853 -1.003 -5.269 377 HZ PHE 113 HZ PHE 113 8.189 -1.431 -4.616 378 H ASN 114 HN ASN 114 3.523 0.849 -3.361 379 HA ASN 114 HA ASN 114 5.306 2.976 -2.417 380 1HB ASN 114 2HB ASN 114 5.742 3.307 -4.879 381 2HB ASN 114 3HB ASN 114 6.264 1.757 -4.231 382 1HD2 ASN 114 1HD2 ASN 114 5.930 2.080 -6.908 383 2HD2 ASN 114 2HD2 ASN 114 4.554 1.183 -7.446 384 H PHE 115 HN PHE 115 2.490 3.092 -1.895 385 HA PHE 115 HA PHE 115 1.730 5.407 -3.557 386 1HB PHE 115 2HB PHE 115 0.398 3.018 -3.330 387 2HB PHE 115 3HB PHE 115 -0.441 4.026 -2.166 388 HD1 PHE 115 1HD PHE 115 -0.112 3.142 -5.584 389 HD2 PHE 115 2HD PHE 115 -1.305 6.293 -2.988 390 HE1 PHE 115 1HE PHE 115 -1.452 4.120 -7.394 391 HE2 PHE 115 2HE PHE 115 -2.646 7.276 -4.794 392 HZ PHE 115 HZ PHE 115 -2.720 6.195 -7.005 393 H VAL 116 HN VAL 116 2.552 4.402 -0.428 394 HA VAL 116 HA VAL 116 1.318 6.836 0.666 395 HB VAL 116 HB VAL 116 0.967 5.586 2.809 396 1HG1 VAL 116 1HG1 VAL 116 -0.732 4.192 0.860 397 2HG1 VAL 116 2HG1 VAL 116 -1.170 5.213 2.230 398 3HG1 VAL 116 3HG1 VAL 116 -0.668 5.949 0.707 399 1HG2 VAL 116 1HG2 VAL 116 2.227 3.650 2.744 400 2HG2 VAL 116 2HG2 VAL 116 0.628 3.037 2.320 401 3HG2 VAL 116 3HG2 VAL 116 1.823 3.325 1.057 402 H ALA 117 HN ALA 117 2.300 7.783 2.445 403 HA ALA 117 HA ALA 117 4.978 6.861 3.186 404 1HB ALA 117 1HB ALA 117 4.477 9.084 1.501 405 2HB ALA 117 2HB ALA 117 5.013 9.712 3.058 406 3HB ALA 117 3HB ALA 117 6.016 8.556 2.182 407 H LYS 118 HN LYS 118 5.531 7.337 5.314 408 HA LYS 118 HA LYS 118 3.700 7.369 7.280 409 1HB LYS 118 2HB LYS 118 6.365 8.795 7.345 410 2HB LYS 118 3HB LYS 118 5.415 8.383 8.766 411 1HG LYS 118 2HG LYS 118 6.750 6.510 6.835 412 2HG LYS 118 3HG LYS 118 7.098 6.737 8.551 413 1HD LYS 118 2HD LYS 118 4.866 5.871 9.099 414 2HD LYS 118 3HD LYS 118 4.556 5.611 7.382 415 1HE LYS 118 2HE LYS 118 5.931 3.799 7.266 416 2HE LYS 118 3HE LYS 118 7.017 4.408 8.514 417 1HZ LYS 118 1HZ LYS 118 4.402 3.794 9.517 418 2HZ LYS 118 2HZ LYS 118 5.918 3.305 10.086 419 3HZ LYS 118 3HZ LYS 118 5.166 2.446 8.838 420 H ALA 119 HN ALA 119 2.452 8.767 8.420 421 HA ALA 119 HA ALA 119 1.709 11.229 7.196 422 1HB ALA 119 1HB ALA 119 0.867 9.761 9.649 423 2HB ALA 119 2HB ALA 119 0.470 11.473 9.520 424 3HB ALA 119 3HB ALA 119 -0.100 10.346 8.289 425 H ASN 120 HN ASN 120 4.302 11.641 7.496 426 HA ASN 120 HA ASN 120 4.438 13.645 9.635 427 1HB ASN 120 2HB ASN 120 6.251 11.343 9.184 428 2HB ASN 120 3HB ASN 120 7.022 12.881 9.562 429 1HD2 ASN 120 1HD2 ASN 120 4.347 10.827 10.660 430 2HD2 ASN 120 2HD2 ASN 120 4.602 11.102 12.346 Start of MODEL 16 1 H ASN 64 HN ASN 64 1.532 2.808 12.755 2 HA ASN 64 HA ASN 64 3.585 2.057 10.924 3 1HB ASN 64 2HB ASN 64 1.493 0.036 11.663 4 2HB ASN 64 3HB ASN 64 2.098 0.099 10.014 5 1HD2 ASN 64 1HD2 ASN 64 2.369 -2.059 11.848 6 2HD2 ASN 64 2HD2 ASN 64 4.058 -2.301 12.113 7 H LEU 65 HN LEU 65 1.449 4.096 11.502 8 HA LEU 65 HA LEU 65 -0.369 3.793 9.296 9 1HB LEU 65 2HB LEU 65 -1.316 4.854 11.137 10 2HB LEU 65 3HB LEU 65 0.029 5.943 11.344 11 HG LEU 65 HG LEU 65 -0.614 7.081 9.286 12 1HD1 LEU 65 1HD1 LEU 65 -3.246 6.181 8.910 13 2HD1 LEU 65 2HD1 LEU 65 -1.883 6.052 7.797 14 3HD1 LEU 65 3HD1 LEU 65 -2.212 4.754 8.947 15 1HD2 LEU 65 1HD2 LEU 65 -2.721 8.090 10.124 16 2HD2 LEU 65 2HD2 LEU 65 -2.797 6.817 11.341 17 3HD2 LEU 65 3HD2 LEU 65 -1.464 7.971 11.356 18 H VAL 66 HN VAL 66 -0.438 4.883 7.483 19 HA VAL 66 HA VAL 66 1.886 6.541 6.756 20 HB VAL 66 HB VAL 66 1.467 5.610 4.433 21 1HG1 VAL 66 1HG1 VAL 66 2.635 3.979 6.661 22 2HG1 VAL 66 2HG1 VAL 66 2.796 3.523 4.964 23 3HG1 VAL 66 3HG1 VAL 66 3.476 5.047 5.536 24 1HG2 VAL 66 1HG2 VAL 66 -0.648 4.547 4.753 25 2HG2 VAL 66 2HG2 VAL 66 0.546 3.296 4.407 26 3HG2 VAL 66 3HG2 VAL 66 -0.003 3.558 6.062 27 H ILE 67 HN ILE 67 1.335 7.498 4.432 28 HA ILE 67 HA ILE 67 -1.400 8.432 4.297 29 HB ILE 67 HB ILE 67 0.744 10.106 5.300 30 1HG1 ILE 67 2HG1 ILE 67 -2.226 10.325 4.922 31 2HG1 ILE 67 3HG1 ILE 67 -1.364 9.926 6.377 32 1HG2 ILE 67 1HG2 ILE 67 1.019 10.871 3.018 33 2HG2 ILE 67 2HG2 ILE 67 -0.723 11.104 2.857 34 3HG2 ILE 67 3HG2 ILE 67 0.203 12.117 3.965 35 1HD1 ILE 67 1HD1 ILE 67 -1.383 12.049 6.981 36 2HD1 ILE 67 2HD1 ILE 67 -0.517 12.492 5.509 37 3HD1 ILE 67 3HD1 ILE 67 -2.280 12.437 5.511 38 H ALA 68 HN ALA 68 -2.086 8.414 2.313 39 HA ALA 68 HA ALA 68 -0.539 7.554 0.162 40 1HB ALA 68 1HB ALA 68 -2.848 9.128 -0.653 41 2HB ALA 68 2HB ALA 68 -2.478 7.428 -0.921 42 3HB ALA 68 3HB ALA 68 -3.214 7.939 0.598 43 H LEU 69 HN LEU 69 0.246 8.566 -1.680 44 HA LEU 69 HA LEU 69 1.000 11.366 -1.266 45 1HB LEU 69 2HB LEU 69 2.144 9.182 -2.994 46 2HB LEU 69 3HB LEU 69 2.665 10.853 -3.105 47 HG LEU 69 HG LEU 69 2.943 9.023 -0.718 48 1HD1 LEU 69 1HD1 LEU 69 5.389 9.591 -1.098 49 2HD1 LEU 69 2HD1 LEU 69 4.640 8.505 -2.267 50 3HD1 LEU 69 3HD1 LEU 69 4.898 10.201 -2.677 51 1HD2 LEU 69 1HD2 LEU 69 3.202 11.972 -0.996 52 2HD2 LEU 69 2HD2 LEU 69 2.616 11.010 0.361 53 3HD2 LEU 69 3HD2 LEU 69 4.346 11.119 0.041 54 H HIS 70 HN HIS 70 -0.843 9.281 -3.327 55 HA HIS 70 HA HIS 70 -1.796 11.608 -4.798 56 1HB HIS 70 2HB HIS 70 -1.744 9.921 -6.877 57 2HB HIS 70 3HB HIS 70 -0.428 11.025 -6.519 58 HD1 HIS 70 1HD HIS 70 -1.026 7.603 -7.282 59 HD2 HIS 70 2HD HIS 70 1.646 9.642 -4.847 60 HE1 HIS 70 1HE HIS 70 0.848 5.984 -6.840 61 HE2 HIS 70 2HE HIS 70 2.401 7.205 -5.277 62 H SER 71 HN SER 71 -3.571 10.623 -6.473 63 HA SER 71 HA SER 71 -5.556 9.459 -4.732 64 1HB SER 71 2HB SER 71 -6.121 9.778 -7.631 65 2HB SER 71 3HB SER 71 -7.108 10.209 -6.236 66 HG SER 71 HG SER 71 -6.466 12.149 -6.826 67 H TYR 72 HN TYR 72 -6.003 7.367 -4.553 68 HA TYR 72 HA TYR 72 -4.824 5.536 -6.531 69 1HB TYR 72 2HB TYR 72 -4.163 5.189 -4.178 70 2HB TYR 72 3HB TYR 72 -5.845 4.909 -3.759 71 HD1 TYR 72 1HD TYR 72 -3.804 3.677 -6.640 72 HD2 TYR 72 2HD TYR 72 -6.044 2.681 -3.166 73 HE1 TYR 72 1HE TYR 72 -3.554 1.289 -7.170 74 HE2 TYR 72 2HE TYR 72 -5.795 0.292 -3.682 75 HH TYR 72 HH TYR 72 -4.799 -0.848 -6.657 76 H GLU 73 HN GLU 73 -5.950 3.905 -7.489 77 HA GLU 73 HA GLU 73 -8.834 3.770 -7.078 78 1HB GLU 73 2HB GLU 73 -7.510 4.820 -9.350 79 2HB GLU 73 3HB GLU 73 -8.307 3.334 -9.819 80 1HG GLU 73 2HG GLU 73 -10.420 4.159 -9.141 81 2HG GLU 73 3HG GLU 73 -9.681 5.537 -8.326 82 HA PRO 74 HA PRO 74 -7.191 -0.414 -6.236 83 1HB PRO 74 2HB PRO 74 -10.000 -1.123 -6.324 84 2HB PRO 74 3HB PRO 74 -8.901 -1.097 -4.945 85 1HG PRO 74 2HG PRO 74 -10.833 0.931 -5.818 86 2HG PRO 74 3HG PRO 74 -10.068 0.711 -4.236 87 1HD PRO 74 2HD PRO 74 -9.429 2.773 -5.875 88 2HD PRO 74 3HD PRO 74 -8.230 1.991 -4.815 89 H SER 75 HN SER 75 -6.507 -1.777 -7.718 90 HA SER 75 HA SER 75 -8.126 -2.189 -10.145 91 1HB SER 75 2HB SER 75 -6.122 -2.364 -11.451 92 2HB SER 75 3HB SER 75 -5.985 -0.891 -10.493 93 HG SER 75 HG SER 75 -4.099 -2.351 -10.547 94 H HIS 76 HN HIS 76 -5.800 -3.626 -7.892 95 HA HIS 76 HA HIS 76 -6.180 -6.280 -8.944 96 1HB HIS 76 2HB HIS 76 -4.408 -4.985 -7.024 97 2HB HIS 76 3HB HIS 76 -4.972 -6.553 -6.456 98 HD1 HIS 76 1HD HIS 76 -2.982 -8.006 -6.840 99 HD2 HIS 76 2HD HIS 76 -3.911 -5.695 -10.166 100 HE1 HIS 76 1HE HIS 76 -1.456 -8.815 -8.668 101 HE2 HIS 76 2HE HIS 76 -1.981 -7.348 -10.649 102 H ASP 77 HN ASP 77 -6.701 -8.074 -7.302 103 HA ASP 77 HA ASP 77 -9.349 -7.582 -6.320 104 1HB ASP 77 2HB ASP 77 -7.557 -10.015 -6.200 105 2HB ASP 77 3HB ASP 77 -9.209 -9.990 -5.586 106 H GLY 78 HN GLY 78 -10.087 -7.627 -4.195 107 1HA GLY 78 1HA GLY 78 -9.999 -7.205 -1.937 108 2HA GLY 78 2HA GLY 78 -8.549 -8.196 -1.927 109 H ASP 79 HN ASP 79 -8.949 -5.189 -3.718 110 HA ASP 79 HA ASP 79 -6.702 -4.081 -2.208 111 1HB ASP 79 2HB ASP 79 -7.945 -3.313 -4.849 112 2HB ASP 79 3HB ASP 79 -6.686 -2.366 -4.064 113 H LEU 80 HN LEU 80 -6.734 -1.866 -1.535 114 HA LEU 80 HA LEU 80 -9.437 -0.904 -0.873 115 1HB LEU 80 2HB LEU 80 -8.566 -1.381 1.205 116 2HB LEU 80 3HB LEU 80 -6.919 -1.056 0.713 117 HG LEU 80 HG LEU 80 -7.620 1.413 0.664 118 1HD1 LEU 80 1HD1 LEU 80 -9.465 1.634 2.572 119 2HD1 LEU 80 2HD1 LEU 80 -9.873 1.595 0.856 120 3HD1 LEU 80 3HD1 LEU 80 -10.020 0.132 1.829 121 1HD2 LEU 80 1HD2 LEU 80 -7.179 1.656 3.043 122 2HD2 LEU 80 2HD2 LEU 80 -7.534 -0.052 3.294 123 3HD2 LEU 80 3HD2 LEU 80 -6.131 0.425 2.337 124 H GLY 81 HN GLY 81 -9.985 1.039 -1.648 125 1HA GLY 81 1HA GLY 81 -7.933 2.573 -3.051 126 2HA GLY 81 2HA GLY 81 -9.662 2.790 -3.214 127 H PHE 82 HN PHE 82 -7.387 4.654 -2.607 128 HA PHE 82 HA PHE 82 -8.711 5.992 -0.375 129 1HB PHE 82 2HB PHE 82 -6.307 6.634 0.403 130 2HB PHE 82 3HB PHE 82 -6.988 5.085 0.873 131 HD1 PHE 82 1HD PHE 82 -4.256 6.730 -0.638 132 HD2 PHE 82 2HD PHE 82 -6.392 3.057 -0.622 133 HE1 PHE 82 1HE PHE 82 -2.300 5.596 -1.627 134 HE2 PHE 82 2HE PHE 82 -4.448 1.921 -1.616 135 HZ PHE 82 HZ PHE 82 -2.401 3.189 -2.113 136 H GLU 83 HN GLU 83 -7.547 8.236 -0.072 137 HA GLU 83 HA GLU 83 -7.379 9.402 -2.767 138 1HB GLU 83 2HB GLU 83 -8.724 10.168 -0.305 139 2HB GLU 83 3HB GLU 83 -7.739 11.471 -0.948 140 1HG GLU 83 2HG GLU 83 -9.053 10.495 -3.166 141 2HG GLU 83 3HG GLU 83 -10.261 10.403 -1.884 142 H LYS 84 HN LYS 84 -6.089 11.547 -2.736 143 HA LYS 84 HA LYS 84 -3.411 10.908 -1.964 144 1HB LYS 84 2HB LYS 84 -3.513 12.126 -3.939 145 2HB LYS 84 3HB LYS 84 -4.747 13.208 -3.328 146 1HG LYS 84 2HG LYS 84 -2.836 13.985 -1.711 147 2HG LYS 84 3HG LYS 84 -1.792 13.277 -2.941 148 1HD LYS 84 2HD LYS 84 -3.963 15.198 -3.687 149 2HD LYS 84 3HD LYS 84 -2.400 15.781 -3.112 150 1HE LYS 84 2HE LYS 84 -1.370 14.287 -4.898 151 2HE LYS 84 3HE LYS 84 -2.997 14.143 -5.560 152 1HZ LYS 84 1HZ LYS 84 -1.285 16.044 -6.272 153 2HZ LYS 84 2HZ LYS 84 -2.088 16.846 -5.018 154 3HZ LYS 84 3HZ LYS 84 -2.965 16.241 -6.331 155 H GLY 85 HN GLY 85 -2.380 11.419 -0.133 156 1HA GLY 85 1HA GLY 85 -1.870 12.590 1.827 157 2HA GLY 85 2HA GLY 85 -3.251 13.648 1.525 158 H GLU 86 HN GLU 86 -4.629 10.812 1.068 159 HA GLU 86 HA GLU 86 -6.039 10.724 3.470 160 1HB GLU 86 2HB GLU 86 -6.299 9.539 1.036 161 2HB GLU 86 3HB GLU 86 -5.714 8.186 1.985 162 1HG GLU 86 2HG GLU 86 -8.327 9.095 1.722 163 2HG GLU 86 3HG GLU 86 -7.728 7.824 2.767 164 H GLN 87 HN GLN 87 -6.079 8.815 4.954 165 HA GLN 87 HA GLN 87 -3.348 7.840 5.439 166 1HB GLN 87 2HB GLN 87 -5.300 8.414 7.648 167 2HB GLN 87 3HB GLN 87 -3.577 8.110 7.772 168 1HG GLN 87 2HG GLN 87 -3.018 10.224 7.297 169 2HG GLN 87 3HG GLN 87 -4.325 10.422 6.136 170 1HE2 GLN 87 1HE2 GLN 87 -4.477 9.467 9.529 171 2HE2 GLN 87 2HE2 GLN 87 -5.443 10.801 10.049 172 H LEU 88 HN LEU 88 -3.104 5.832 6.271 173 HA LEU 88 HA LEU 88 -5.427 4.113 6.646 174 1HB LEU 88 2HB LEU 88 -3.314 2.989 4.902 175 2HB LEU 88 3HB LEU 88 -5.025 2.629 4.961 176 HG LEU 88 HG LEU 88 -4.463 5.316 3.957 177 1HD1 LEU 88 1HD1 LEU 88 -3.798 3.239 1.978 178 2HD1 LEU 88 2HD1 LEU 88 -3.185 4.884 2.154 179 3HD1 LEU 88 3HD1 LEU 88 -2.559 3.595 3.185 180 1HD2 LEU 88 1HD2 LEU 88 -6.618 3.934 3.940 181 2HD2 LEU 88 2HD2 LEU 88 -6.175 4.793 2.462 182 3HD2 LEU 88 3HD2 LEU 88 -5.879 3.056 2.594 183 H ARG 89 HN ARG 89 -5.084 2.794 8.279 184 HA ARG 89 HA ARG 89 -2.493 2.707 9.506 185 1HB ARG 89 2HB ARG 89 -4.317 2.867 11.004 186 2HB ARG 89 3HB ARG 89 -5.193 1.568 10.204 187 1HG ARG 89 2HG ARG 89 -3.616 -0.042 10.995 188 2HG ARG 89 3HG ARG 89 -2.614 1.229 11.680 189 1HD ARG 89 2HD ARG 89 -4.708 1.872 13.006 190 2HD ARG 89 3HD ARG 89 -5.301 0.275 12.584 191 HE ARG 89 HE ARG 89 -2.666 0.335 13.769 192 1HH1 ARG 89 2HH1 ARG 89 -6.098 0.063 14.355 193 2HH1 ARG 89 1HH1 ARG 89 -5.901 -0.729 15.882 194 1HH2 ARG 89 2HH2 ARG 89 -2.407 -0.706 15.780 195 2HH2 ARG 89 1HH2 ARG 89 -3.807 -1.165 16.691 196 H ILE 90 HN ILE 90 -1.071 1.514 8.469 197 HA ILE 90 HA ILE 90 -1.574 -0.655 6.813 198 HB ILE 90 HB ILE 90 1.002 -0.181 8.312 199 1HG1 ILE 90 2HG1 ILE 90 0.231 1.858 7.171 200 2HG1 ILE 90 3HG1 ILE 90 1.679 1.213 6.428 201 1HG2 ILE 90 1HG2 ILE 90 1.050 -1.142 5.550 202 2HG2 ILE 90 2HG2 ILE 90 1.969 -1.680 6.958 203 3HG2 ILE 90 3HG2 ILE 90 0.324 -2.266 6.701 204 1HD1 ILE 90 1HD1 ILE 90 -0.867 1.768 5.262 205 2HD1 ILE 90 2HD1 ILE 90 0.640 1.290 4.481 206 3HD1 ILE 90 3HD1 ILE 90 -0.479 0.059 5.067 207 H LEU 91 HN LEU 91 -2.448 -2.471 7.299 208 HA LEU 91 HA LEU 91 -2.295 -3.670 9.917 209 1HB LEU 91 2HB LEU 91 -3.368 -4.879 7.372 210 2HB LEU 91 3HB LEU 91 -3.793 -5.306 9.017 211 HG LEU 91 HG LEU 91 -4.444 -2.698 7.644 212 1HD1 LEU 91 1HD1 LEU 91 -5.869 -4.225 6.663 213 2HD1 LEU 91 2HD1 LEU 91 -6.067 -5.154 8.150 214 3HD1 LEU 91 3HD1 LEU 91 -6.826 -3.566 7.991 215 1HD2 LEU 91 1HD2 LEU 91 -4.494 -3.516 10.434 216 2HD2 LEU 91 2HD2 LEU 91 -4.614 -1.907 9.723 217 3HD2 LEU 91 3HD2 LEU 91 -6.052 -2.918 9.866 218 H GLU 92 HN GLU 92 -1.202 -4.331 6.651 219 HA GLU 92 HA GLU 92 1.070 -5.812 7.693 220 1HB GLU 92 2HB GLU 92 -1.153 -7.085 6.450 221 2HB GLU 92 3HB GLU 92 0.221 -7.181 5.355 222 1HG GLU 92 2HG GLU 92 1.016 -8.862 6.539 223 2HG GLU 92 3HG GLU 92 1.216 -7.754 7.901 224 H GLN 93 HN GLN 93 2.905 -5.467 6.549 225 HA GLN 93 HA GLN 93 2.642 -3.940 4.066 226 1HB GLN 93 2HB GLN 93 4.890 -2.910 4.902 227 2HB GLN 93 3HB GLN 93 3.357 -2.281 5.477 228 1HG GLN 93 2HG GLN 93 3.579 -3.838 7.410 229 2HG GLN 93 3HG GLN 93 5.202 -4.149 6.841 230 1HE2 GLN 93 1HE2 GLN 93 6.404 -3.251 8.422 231 2HE2 GLN 93 2HE2 GLN 93 6.339 -1.583 8.870 232 H SER 94 HN SER 94 2.948 -6.736 4.261 233 HA SER 94 HA SER 94 5.736 -7.218 3.526 234 1HB SER 94 2HB SER 94 4.254 -9.602 3.275 235 2HB SER 94 3HB SER 94 5.366 -9.169 4.572 236 HG SER 94 HG SER 94 3.704 -8.521 5.804 237 H GLY 95 HN GLY 95 6.340 -7.218 1.468 238 1HA GLY 95 1HA GLY 95 6.197 -7.801 -0.813 239 2HA GLY 95 2HA GLY 95 4.487 -8.123 -0.594 240 H GLU 96 HN GLU 96 5.528 -6.756 -2.745 241 HA GLU 96 HA GLU 96 5.654 -4.020 -2.697 242 1HB GLU 96 2HB GLU 96 6.050 -4.736 -4.797 243 2HB GLU 96 3HB GLU 96 4.906 -6.065 -4.660 244 1HG GLU 96 2HG GLU 96 3.089 -4.642 -5.064 245 2HG GLU 96 3HG GLU 96 4.115 -3.211 -5.019 246 H TRP 97 HN TRP 97 2.895 -5.983 -2.027 247 HA TRP 97 HA TRP 97 1.169 -3.604 -2.135 248 1HB TRP 97 2HB TRP 97 0.592 -6.533 -2.469 249 2HB TRP 97 3HB TRP 97 -0.683 -5.406 -2.022 250 HD1 TRP 97 1HD TRP 97 1.611 -6.323 -4.942 251 HE1 TRP 97 1HE TRP 97 0.716 -5.203 -7.079 252 HE3 TRP 97 3HE TRP 97 -2.059 -3.438 -2.867 253 HZ2 TRP 97 2HZ TRP 97 -1.283 -3.337 -7.789 254 HZ3 TRP 97 3HZ TRP 97 -3.415 -2.014 -4.339 255 HH2 TRP 97 2HH TRP 97 -3.032 -1.960 -6.748 256 H TRP 98 HN TRP 98 0.701 -2.722 -0.231 257 HA TRP 98 HA TRP 98 1.031 -4.335 2.190 258 1HB TRP 98 2HB TRP 98 0.981 -1.359 1.737 259 2HB TRP 98 3HB TRP 98 0.946 -2.086 3.335 260 HD1 TRP 98 1HD TRP 98 3.128 -4.193 1.310 261 HE1 TRP 98 1HE TRP 98 5.605 -3.619 1.722 262 HE3 TRP 98 3HE TRP 98 2.515 0.252 3.705 263 HZ2 TRP 98 2HZ TRP 98 7.101 -1.522 2.902 264 HZ3 TRP 98 3HZ TRP 98 4.504 1.500 4.442 265 HH2 TRP 98 2HH TRP 98 6.755 0.624 4.052 266 H LYS 99 HN LYS 99 -0.543 -4.682 3.628 267 HA LYS 99 HA LYS 99 -3.271 -4.087 2.841 268 1HB LYS 99 2HB LYS 99 -2.798 -6.321 3.692 269 2HB LYS 99 3HB LYS 99 -2.114 -5.646 5.161 270 1HG LYS 99 2HG LYS 99 -4.503 -6.604 5.223 271 2HG LYS 99 3HG LYS 99 -4.175 -5.064 6.023 272 1HD LYS 99 2HD LYS 99 -5.191 -3.835 4.362 273 2HD LYS 99 3HD LYS 99 -5.114 -5.150 3.189 274 1HE LYS 99 2HE LYS 99 -6.611 -6.016 5.460 275 2HE LYS 99 3HE LYS 99 -7.238 -4.461 4.923 276 1HZ LYS 99 1HZ LYS 99 -7.428 -7.038 3.674 277 2HZ LYS 99 2HZ LYS 99 -6.909 -5.831 2.608 278 3HZ LYS 99 3HZ LYS 99 -8.372 -5.653 3.440 279 H ALA 100 HN ALA 100 -4.119 -2.163 3.413 280 HA ALA 100 HA ALA 100 -3.273 -1.024 5.999 281 1HB ALA 100 1HB ALA 100 -3.075 1.062 5.129 282 2HB ALA 100 2HB ALA 100 -2.672 0.127 3.687 283 3HB ALA 100 3HB ALA 100 -4.299 0.788 3.887 284 H GLN 101 HN GLN 101 -4.786 -0.135 7.328 285 HA GLN 101 HA GLN 101 -7.576 -0.617 6.538 286 1HB GLN 101 2HB GLN 101 -7.056 -1.867 8.515 287 2HB GLN 101 3HB GLN 101 -6.292 -0.485 9.275 288 1HG GLN 101 2HG GLN 101 -8.567 0.598 9.108 289 2HG GLN 101 3HG GLN 101 -9.202 -0.994 8.776 290 1HE2 GLN 101 1HE2 GLN 101 -7.722 1.080 11.137 291 2HE2 GLN 101 2HE2 GLN 101 -8.036 0.086 12.513 292 H SER 102 HN SER 102 -8.476 1.173 5.822 293 HA SER 102 HA SER 102 -7.517 3.736 6.038 294 1HB SER 102 2HB SER 102 -9.923 2.420 5.147 295 2HB SER 102 3HB SER 102 -10.298 3.942 5.912 296 HG SER 102 HG SER 102 -9.330 3.548 3.490 297 H LEU 103 HN LEU 103 -8.568 5.586 7.220 298 HA LEU 103 HA LEU 103 -9.314 4.718 9.936 299 1HB LEU 103 2HB LEU 103 -7.396 6.843 9.071 300 2HB LEU 103 3HB LEU 103 -8.121 6.845 10.665 301 HG LEU 103 HG LEU 103 -7.240 4.278 10.515 302 1HD1 LEU 103 1HD1 LEU 103 -6.152 4.424 8.457 303 2HD1 LEU 103 2HD1 LEU 103 -5.423 5.980 8.856 304 3HD1 LEU 103 3HD1 LEU 103 -4.869 4.515 9.667 305 1HD2 LEU 103 1HD2 LEU 103 -6.857 6.149 12.259 306 2HD2 LEU 103 2HD2 LEU 103 -5.690 4.829 12.130 307 3HD2 LEU 103 3HD2 LEU 103 -5.334 6.400 11.405 308 H THR 104 HN THR 104 -9.969 6.844 7.310 309 HA THR 104 HA THR 104 -11.755 8.531 8.834 310 HB THR 104 HB THR 104 -11.687 8.356 5.838 311 HG1 THR 104 1HG THR 104 -9.781 9.690 7.461 312 1HG2 THR 104 1HG2 THR 104 -13.239 9.915 6.559 313 2HG2 THR 104 2HG2 THR 104 -11.806 10.862 6.152 314 3HG2 THR 104 3HG2 THR 104 -12.179 10.506 7.839 315 H THR 105 HN THR 105 -11.840 5.923 6.543 316 HA THR 105 HA THR 105 -14.738 5.545 6.886 317 HB THR 105 HB THR 105 -14.786 4.742 4.757 318 HG1 THR 105 1HG THR 105 -12.055 4.048 4.883 319 1HG2 THR 105 1HG2 THR 105 -13.942 6.983 4.474 320 2HG2 THR 105 2HG2 THR 105 -13.267 5.914 3.243 321 3HG2 THR 105 3HG2 THR 105 -12.289 6.388 4.634 322 H GLY 106 HN GLY 106 -11.615 4.128 6.966 323 1HA GLY 106 1HA GLY 106 -10.735 2.457 8.196 324 2HA GLY 106 2HA GLY 106 -12.322 2.072 8.802 325 H GLN 107 HN GLN 107 -12.619 2.221 5.526 326 HA GLN 107 HA GLN 107 -13.105 -0.424 5.110 327 1HB GLN 107 2HB GLN 107 -12.431 1.866 3.388 328 2HB GLN 107 3HB GLN 107 -12.452 0.270 2.661 329 1HG GLN 107 2HG GLN 107 -14.630 0.603 2.406 330 2HG GLN 107 3HG GLN 107 -14.725 0.276 4.135 331 1HE2 GLN 107 1HE2 GLN 107 -13.977 2.983 1.961 332 2HE2 GLN 107 2HE2 GLN 107 -14.892 4.160 2.835 333 H GLU 108 HN GLU 108 -11.909 -2.152 5.080 334 HA GLU 108 HA GLU 108 -9.010 -1.883 5.030 335 1HB GLU 108 2HB GLU 108 -10.824 -4.194 5.667 336 2HB GLU 108 3HB GLU 108 -9.086 -4.351 5.583 337 1HG GLU 108 2HG GLU 108 -8.861 -3.593 7.634 338 2HG GLU 108 3HG GLU 108 -9.770 -2.135 7.250 339 H GLY 109 HN GLY 109 -7.642 -3.009 3.658 340 1HA GLY 109 1HA GLY 109 -8.291 -4.792 1.657 341 2HA GLY 109 2HA GLY 109 -8.540 -3.200 0.958 342 H PHE 110 HN PHE 110 -6.752 -4.502 -0.350 343 HA PHE 110 HA PHE 110 -4.105 -4.131 0.773 344 1HB PHE 110 2HB PHE 110 -5.301 -5.641 -1.456 345 2HB PHE 110 3HB PHE 110 -3.705 -4.991 -1.773 346 HD1 PHE 110 1HD PHE 110 -2.146 -6.676 -1.602 347 HD2 PHE 110 2HD PHE 110 -5.278 -6.448 1.273 348 HE1 PHE 110 1HE PHE 110 -1.144 -8.555 -0.368 349 HE2 PHE 110 2HE PHE 110 -4.280 -8.325 2.513 350 HZ PHE 110 HZ PHE 110 -2.211 -9.381 1.693 351 H ILE 111 HN ILE 111 -2.630 -2.637 0.084 352 HA ILE 111 HA ILE 111 -3.460 -0.809 -2.067 353 HB ILE 111 HB ILE 111 -2.646 1.114 -0.800 354 1HG1 ILE 111 2HG1 ILE 111 -2.553 -0.469 1.729 355 2HG1 ILE 111 3HG1 ILE 111 -1.176 -0.555 0.643 356 1HG2 ILE 111 1HG2 ILE 111 -5.038 0.245 -0.681 357 2HG2 ILE 111 2HG2 ILE 111 -4.628 -0.302 0.947 358 3HG2 ILE 111 3HG2 ILE 111 -4.529 1.413 0.537 359 1HD1 ILE 111 1HD1 ILE 111 -1.522 1.303 2.586 360 2HD1 ILE 111 2HD1 ILE 111 -0.470 1.481 1.182 361 3HD1 ILE 111 3HD1 ILE 111 -2.096 2.161 1.156 362 HA PRO 112 HA PRO 112 0.539 -1.269 -3.790 363 1HB PRO 112 2HB PRO 112 0.863 1.373 -4.617 364 2HB PRO 112 3HB PRO 112 0.065 0.098 -5.542 365 1HG PRO 112 2HG PRO 112 -1.128 2.240 -3.863 366 2HG PRO 112 3HG PRO 112 -1.732 1.512 -5.350 367 1HD PRO 112 2HD PRO 112 -2.741 0.912 -2.941 368 2HD PRO 112 3HD PRO 112 -2.655 -0.271 -4.253 369 H PHE 113 HN PHE 113 2.316 -1.452 -2.545 370 HA PHE 113 HA PHE 113 2.800 0.022 -0.234 371 1HB PHE 113 2HB PHE 113 4.785 -1.173 -0.015 372 2HB PHE 113 3HB PHE 113 3.784 -2.243 -0.990 373 HD1 PHE 113 1HD PHE 113 4.086 -0.936 -3.654 374 HD2 PHE 113 2HD PHE 113 6.944 -1.776 -0.616 375 HE1 PHE 113 1HE PHE 113 5.863 -1.016 -5.353 376 HE2 PHE 113 2HE PHE 113 8.726 -1.860 -2.309 377 HZ PHE 113 HZ PHE 113 8.187 -1.479 -4.682 378 H ASN 114 HN ASN 114 3.396 0.910 -3.499 379 HA ASN 114 HA ASN 114 5.272 3.006 -2.662 380 1HB ASN 114 2HB ASN 114 5.547 3.311 -5.175 381 2HB ASN 114 3HB ASN 114 6.155 1.803 -4.501 382 1HD2 ASN 114 1HD2 ASN 114 4.198 3.212 -6.828 383 2HD2 ASN 114 2HD2 ASN 114 3.386 1.790 -7.378 384 H PHE 115 HN PHE 115 2.490 3.185 -2.012 385 HA PHE 115 HA PHE 115 1.700 5.511 -3.649 386 1HB PHE 115 2HB PHE 115 0.318 3.136 -3.296 387 2HB PHE 115 3HB PHE 115 -0.453 4.227 -2.159 388 HD1 PHE 115 1HD PHE 115 -1.293 6.472 -3.070 389 HD2 PHE 115 2HD PHE 115 -0.239 3.174 -5.540 390 HE1 PHE 115 1HE PHE 115 -2.676 7.385 -4.879 391 HE2 PHE 115 2HE PHE 115 -1.618 4.084 -7.352 392 HZ PHE 115 HZ PHE 115 -2.838 6.199 -7.030 393 H VAL 116 HN VAL 116 2.006 4.136 -0.442 394 HA VAL 116 HA VAL 116 1.101 6.679 0.719 395 HB VAL 116 HB VAL 116 0.738 5.433 2.804 396 1HG1 VAL 116 1HG1 VAL 116 -0.634 4.665 0.275 397 2HG1 VAL 116 2HG1 VAL 116 -1.100 3.888 1.788 398 3HG1 VAL 116 3HG1 VAL 116 -1.218 5.639 1.624 399 1HG2 VAL 116 1HG2 VAL 116 2.083 3.311 1.283 400 2HG2 VAL 116 2HG2 VAL 116 1.964 3.552 3.026 401 3HG2 VAL 116 3HG2 VAL 116 0.638 2.790 2.149 402 H ALA 117 HN ALA 117 2.201 7.687 2.335 403 HA ALA 117 HA ALA 117 4.891 6.729 3.005 404 1HB ALA 117 1HB ALA 117 5.209 9.459 2.927 405 2HB ALA 117 2HB ALA 117 5.750 8.330 1.686 406 3HB ALA 117 3HB ALA 117 4.197 9.147 1.517 407 H LYS 118 HN LYS 118 5.495 7.151 5.119 408 HA LYS 118 HA LYS 118 3.724 7.251 7.134 409 1HB LYS 118 2HB LYS 118 6.458 8.535 7.111 410 2HB LYS 118 3HB LYS 118 5.524 8.226 8.568 411 1HG LYS 118 2HG LYS 118 6.724 6.230 6.674 412 2HG LYS 118 3HG LYS 118 7.068 6.461 8.390 413 1HD LYS 118 2HD LYS 118 4.780 5.741 8.925 414 2HD LYS 118 3HD LYS 118 4.476 5.473 7.209 415 1HE LYS 118 2HE LYS 118 6.650 4.093 8.776 416 2HE LYS 118 3HE LYS 118 5.049 3.408 8.503 417 1HZ LYS 118 1HZ LYS 118 6.424 4.320 6.122 418 2HZ LYS 118 2HZ LYS 118 5.536 2.904 6.386 419 3HZ LYS 118 3HZ LYS 118 7.145 3.002 6.900 420 H ALA 119 HN ALA 119 2.538 8.676 8.285 421 HA ALA 119 HA ALA 119 1.865 11.173 7.099 422 1HB ALA 119 1HB ALA 119 0.677 11.452 9.437 423 2HB ALA 119 2HB ALA 119 0.056 10.327 8.231 424 3HB ALA 119 3HB ALA 119 1.035 9.732 9.576 425 H ASN 120 HN ASN 120 4.454 11.519 7.313 426 HA ASN 120 HA ASN 120 4.758 13.417 9.539 427 1HB ASN 120 2HB ASN 120 6.746 11.376 8.555 428 2HB ASN 120 3HB ASN 120 7.235 12.785 9.490 429 1HD2 ASN 120 1HD2 ASN 120 7.401 9.940 10.133 430 2HD2 ASN 120 2HD2 ASN 120 6.545 9.739 11.619 Start of MODEL 17 1 H ASN 64 HN ASN 64 0.846 2.855 12.892 2 HA ASN 64 HA ASN 64 3.234 2.369 11.474 3 1HB ASN 64 2HB ASN 64 1.328 0.077 11.740 4 2HB ASN 64 3HB ASN 64 2.091 0.347 10.180 5 1HD2 ASN 64 1HD2 ASN 64 2.505 -1.958 11.608 6 2HD2 ASN 64 2HD2 ASN 64 4.147 -2.011 12.142 7 H LEU 65 HN LEU 65 1.032 4.241 11.701 8 HA LEU 65 HA LEU 65 -0.565 3.918 9.352 9 1HB LEU 65 2HB LEU 65 -1.633 5.003 11.111 10 2HB LEU 65 3HB LEU 65 -0.312 6.113 11.372 11 HG LEU 65 HG LEU 65 -0.836 7.184 9.241 12 1HD1 LEU 65 1HD1 LEU 65 -2.401 4.835 8.891 13 2HD1 LEU 65 2HD1 LEU 65 -3.432 6.257 8.737 14 3HD1 LEU 65 3HD1 LEU 65 -2.001 6.092 7.718 15 1HD2 LEU 65 1HD2 LEU 65 -1.805 8.127 11.235 16 2HD2 LEU 65 2HD2 LEU 65 -2.987 8.210 9.927 17 3HD2 LEU 65 3HD2 LEU 65 -3.135 6.970 11.174 18 H VAL 66 HN VAL 66 -0.515 4.949 7.525 19 HA VAL 66 HA VAL 66 1.830 6.612 6.887 20 HB VAL 66 HB VAL 66 1.513 5.658 4.556 21 1HG1 VAL 66 1HG1 VAL 66 2.559 3.975 6.814 22 2HG1 VAL 66 2HG1 VAL 66 2.858 3.625 5.111 23 3HG1 VAL 66 3HG1 VAL 66 3.461 5.122 5.823 24 1HG2 VAL 66 1HG2 VAL 66 -0.619 4.602 4.806 25 2HG2 VAL 66 2HG2 VAL 66 0.587 3.353 4.501 26 3HG2 VAL 66 3HG2 VAL 66 -0.019 3.612 6.136 27 H ILE 67 HN ILE 67 1.349 7.531 4.517 28 HA ILE 67 HA ILE 67 -1.383 8.452 4.293 29 HB ILE 67 HB ILE 67 0.709 10.134 5.373 30 1HG1 ILE 67 2HG1 ILE 67 -2.243 10.347 4.879 31 2HG1 ILE 67 3HG1 ILE 67 -1.437 9.941 6.365 32 1HG2 ILE 67 1HG2 ILE 67 1.086 10.924 3.124 33 2HG2 ILE 67 2HG2 ILE 67 -0.648 11.111 2.860 34 3HG2 ILE 67 3HG2 ILE 67 0.185 12.149 4.017 35 1HD1 ILE 67 1HD1 ILE 67 -2.344 12.446 5.513 36 2HD1 ILE 67 2HD1 ILE 67 -1.443 12.062 6.981 37 3HD1 ILE 67 3HD1 ILE 67 -0.581 12.522 5.513 38 H ALA 68 HN ALA 68 -2.008 8.416 2.294 39 HA ALA 68 HA ALA 68 -0.364 7.582 0.190 40 1HB ALA 68 1HB ALA 68 -2.312 7.221 -0.799 41 2HB ALA 68 2HB ALA 68 -3.103 7.965 0.590 42 3HB ALA 68 3HB ALA 68 -2.683 8.944 -0.814 43 H LEU 69 HN LEU 69 0.300 8.614 -1.709 44 HA LEU 69 HA LEU 69 0.668 11.530 -1.468 45 1HB LEU 69 2HB LEU 69 2.516 9.422 -2.575 46 2HB LEU 69 3HB LEU 69 2.763 11.142 -2.822 47 HG LEU 69 HG LEU 69 2.726 9.756 -0.137 48 1HD1 LEU 69 1HD1 LEU 69 4.767 9.119 -1.008 49 2HD1 LEU 69 2HD1 LEU 69 4.929 10.584 -1.981 50 3HD1 LEU 69 3HD1 LEU 69 5.178 10.650 -0.237 51 1HD2 LEU 69 1HD2 LEU 69 1.908 12.015 0.050 52 2HD2 LEU 69 2HD2 LEU 69 3.551 11.940 0.687 53 3HD2 LEU 69 3HD2 LEU 69 3.256 12.621 -0.912 54 H HIS 70 HN HIS 70 -1.163 9.430 -3.025 55 HA HIS 70 HA HIS 70 -1.594 11.121 -5.282 56 1HB HIS 70 2HB HIS 70 -1.182 8.650 -6.591 57 2HB HIS 70 3HB HIS 70 -0.270 10.137 -6.799 58 HD1 HIS 70 1HD HIS 70 2.014 9.103 -7.085 59 HD2 HIS 70 2HD HIS 70 0.113 7.841 -3.619 60 HE1 HIS 70 1HE HIS 70 3.763 7.864 -5.777 61 HE2 HIS 70 2HE HIS 70 2.634 7.272 -3.606 62 H SER 71 HN SER 71 -3.599 10.776 -6.204 63 HA SER 71 HA SER 71 -5.548 9.457 -4.710 64 1HB SER 71 2HB SER 71 -6.062 9.765 -7.617 65 2HB SER 71 3HB SER 71 -7.043 10.262 -6.240 66 HG SER 71 HG SER 71 -5.566 11.991 -5.925 67 H TYR 72 HN TYR 72 -6.067 7.380 -4.514 68 HA TYR 72 HA TYR 72 -4.949 5.497 -6.475 69 1HB TYR 72 2HB TYR 72 -4.354 5.225 -4.047 70 2HB TYR 72 3HB TYR 72 -6.037 4.829 -3.745 71 HD1 TYR 72 1HD TYR 72 -3.706 3.817 -6.485 72 HD2 TYR 72 2HD TYR 72 -6.180 2.578 -3.256 73 HE1 TYR 72 1HE TYR 72 -3.282 1.470 -7.068 74 HE2 TYR 72 2HE TYR 72 -5.752 0.228 -3.825 75 HH TYR 72 HH TYR 72 -5.103 -1.058 -5.927 76 H GLU 73 HN GLU 73 -6.118 3.868 -7.390 77 HA GLU 73 HA GLU 73 -9.003 3.818 -6.989 78 1HB GLU 73 2HB GLU 73 -7.661 4.845 -9.259 79 2HB GLU 73 3HB GLU 73 -8.493 3.378 -9.732 80 1HG GLU 73 2HG GLU 73 -10.585 4.247 -9.058 81 2HG GLU 73 3HG GLU 73 -9.818 5.595 -8.219 82 HA PRO 74 HA PRO 74 -7.438 -0.405 -6.191 83 1HB PRO 74 2HB PRO 74 -10.250 -1.071 -6.178 84 2HB PRO 74 3HB PRO 74 -9.118 -1.027 -4.828 85 1HG PRO 74 2HG PRO 74 -11.045 1.010 -5.712 86 2HG PRO 74 3HG PRO 74 -10.278 0.795 -4.130 87 1HD PRO 74 2HD PRO 74 -9.612 2.832 -5.782 88 2HD PRO 74 3HD PRO 74 -8.416 2.034 -4.733 89 H SER 75 HN SER 75 -6.866 -1.823 -7.673 90 HA SER 75 HA SER 75 -8.598 -2.229 -10.018 91 1HB SER 75 2HB SER 75 -5.614 -2.497 -10.214 92 2HB SER 75 3HB SER 75 -6.788 -2.189 -11.492 93 HG SER 75 HG SER 75 -6.020 -0.222 -11.194 94 H HIS 76 HN HIS 76 -6.117 -3.607 -7.899 95 HA HIS 76 HA HIS 76 -6.497 -6.274 -8.919 96 1HB HIS 76 2HB HIS 76 -4.715 -4.955 -6.969 97 2HB HIS 76 3HB HIS 76 -5.142 -6.616 -6.573 98 HD1 HIS 76 1HD HIS 76 -3.282 -8.064 -7.293 99 HD2 HIS 76 2HD HIS 76 -4.051 -5.058 -10.056 100 HE1 HIS 76 1HE HIS 76 -1.701 -8.486 -9.201 101 HE2 HIS 76 2HE HIS 76 -2.116 -6.598 -10.818 102 H ASP 77 HN ASP 77 -7.245 -8.070 -7.630 103 HA ASP 77 HA ASP 77 -9.701 -7.525 -6.325 104 1HB ASP 77 2HB ASP 77 -9.754 -9.953 -5.872 105 2HB ASP 77 3HB ASP 77 -9.352 -9.604 -7.552 106 H GLY 78 HN GLY 78 -10.170 -7.193 -4.237 107 1HA GLY 78 1HA GLY 78 -9.942 -7.199 -1.931 108 2HA GLY 78 2HA GLY 78 -8.492 -8.174 -2.116 109 H ASP 79 HN ASP 79 -9.005 -5.072 -3.691 110 HA ASP 79 HA ASP 79 -6.731 -4.025 -2.163 111 1HB ASP 79 2HB ASP 79 -7.889 -3.193 -4.822 112 2HB ASP 79 3HB ASP 79 -6.608 -2.312 -3.995 113 H LEU 80 HN LEU 80 -6.759 -1.861 -1.421 114 HA LEU 80 HA LEU 80 -9.457 -0.891 -0.769 115 1HB LEU 80 2HB LEU 80 -8.514 -1.319 1.288 116 2HB LEU 80 3HB LEU 80 -6.889 -0.976 0.739 117 HG LEU 80 HG LEU 80 -7.533 1.465 0.712 118 1HD1 LEU 80 1HD1 LEU 80 -9.776 1.748 0.778 119 2HD1 LEU 80 2HD1 LEU 80 -10.045 0.269 1.701 120 3HD1 LEU 80 3HD1 LEU 80 -9.492 1.731 2.521 121 1HD2 LEU 80 1HD2 LEU 80 -7.296 1.705 3.149 122 2HD2 LEU 80 2HD2 LEU 80 -7.609 -0.020 3.332 123 3HD2 LEU 80 3HD2 LEU 80 -6.166 0.529 2.479 124 H GLY 81 HN GLY 81 -10.048 1.097 -1.430 125 1HA GLY 81 1HA GLY 81 -8.093 2.613 -2.988 126 2HA GLY 81 2HA GLY 81 -9.831 2.826 -3.042 127 H PHE 82 HN PHE 82 -7.555 4.707 -2.621 128 HA PHE 82 HA PHE 82 -8.741 6.121 -0.377 129 1HB PHE 82 2HB PHE 82 -6.294 6.671 0.360 130 2HB PHE 82 3HB PHE 82 -7.059 5.183 0.896 131 HD1 PHE 82 1HD PHE 82 -4.191 6.577 -0.566 132 HD2 PHE 82 2HD PHE 82 -6.634 3.097 -0.640 133 HE1 PHE 82 1HE PHE 82 -2.312 5.281 -1.510 134 HE2 PHE 82 2HE PHE 82 -4.770 1.807 -1.590 135 HZ PHE 82 HZ PHE 82 -2.607 2.895 -2.019 136 H GLU 83 HN GLU 83 -7.498 8.319 -0.144 137 HA GLU 83 HA GLU 83 -7.249 9.393 -2.874 138 1HB GLU 83 2HB GLU 83 -8.627 10.276 -0.468 139 2HB GLU 83 3HB GLU 83 -7.598 11.530 -1.137 140 1HG GLU 83 2HG GLU 83 -8.889 10.509 -3.346 141 2HG GLU 83 3HG GLU 83 -10.123 10.485 -2.089 142 H LYS 84 HN LYS 84 -5.880 11.482 -2.908 143 HA LYS 84 HA LYS 84 -3.251 10.795 -2.035 144 1HB LYS 84 2HB LYS 84 -3.284 11.982 -4.043 145 2HB LYS 84 3HB LYS 84 -4.462 13.141 -3.454 146 1HG LYS 84 2HG LYS 84 -2.532 13.824 -1.821 147 2HG LYS 84 3HG LYS 84 -1.511 13.043 -3.026 148 1HD LYS 84 2HD LYS 84 -3.556 15.085 -3.813 149 2HD LYS 84 3HD LYS 84 -1.962 15.572 -3.238 150 1HE LYS 84 2HE LYS 84 -1.330 13.658 -5.073 151 2HE LYS 84 3HE LYS 84 -2.764 14.385 -5.795 152 1HZ LYS 84 1HZ LYS 84 -0.799 16.252 -4.764 153 2HZ LYS 84 2HZ LYS 84 -1.695 16.304 -6.198 154 3HZ LYS 84 3HZ LYS 84 -0.302 15.348 -6.105 155 H GLY 85 HN GLY 85 -2.302 11.261 -0.164 156 1HA GLY 85 1HA GLY 85 -1.788 12.513 1.758 157 2HA GLY 85 2HA GLY 85 -3.182 13.544 1.430 158 H GLU 86 HN GLU 86 -4.665 10.843 0.986 159 HA GLU 86 HA GLU 86 -6.038 10.711 3.382 160 1HB GLU 86 2HB GLU 86 -6.302 9.535 0.953 161 2HB GLU 86 3HB GLU 86 -5.712 8.176 1.891 162 1HG GLU 86 2HG GLU 86 -8.329 9.076 1.641 163 2HG GLU 86 3HG GLU 86 -7.722 7.805 2.678 164 H GLN 87 HN GLN 87 -6.097 8.798 4.867 165 HA GLN 87 HA GLN 87 -3.372 7.821 5.375 166 1HB GLN 87 2HB GLN 87 -5.330 8.380 7.579 167 2HB GLN 87 3HB GLN 87 -3.600 8.116 7.697 168 1HG GLN 87 2HG GLN 87 -3.099 10.246 7.249 169 2HG GLN 87 3HG GLN 87 -4.376 10.402 6.048 170 1HE2 GLN 87 1HE2 GLN 87 -4.077 9.907 9.551 171 2HE2 GLN 87 2HE2 GLN 87 -5.293 11.052 9.989 172 H LEU 88 HN LEU 88 -3.126 5.815 6.153 173 HA LEU 88 HA LEU 88 -5.444 4.089 6.552 174 1HB LEU 88 2HB LEU 88 -3.314 2.975 4.822 175 2HB LEU 88 3HB LEU 88 -5.024 2.604 4.872 176 HG LEU 88 HG LEU 88 -4.437 5.293 3.866 177 1HD1 LEU 88 1HD1 LEU 88 -3.198 4.824 2.043 178 2HD1 LEU 88 2HD1 LEU 88 -2.578 3.536 3.082 179 3HD1 LEU 88 3HD1 LEU 88 -3.838 3.186 1.895 180 1HD2 LEU 88 1HD2 LEU 88 -5.941 3.020 2.607 181 2HD2 LEU 88 2HD2 LEU 88 -6.634 4.047 3.869 182 3HD2 LEU 88 3HD2 LEU 88 -6.142 4.753 2.326 183 H ARG 89 HN ARG 89 -5.101 2.757 8.180 184 HA ARG 89 HA ARG 89 -2.524 2.703 9.437 185 1HB ARG 89 2HB ARG 89 -4.367 2.828 10.916 186 2HB ARG 89 3HB ARG 89 -5.208 1.513 10.107 187 1HG ARG 89 2HG ARG 89 -3.615 -0.067 10.910 188 2HG ARG 89 3HG ARG 89 -2.628 1.218 11.588 189 1HD ARG 89 2HD ARG 89 -4.751 1.830 12.909 190 2HD ARG 89 3HD ARG 89 -5.280 0.203 12.514 191 HE ARG 89 HE ARG 89 -2.645 0.405 13.693 192 1HH1 ARG 89 2HH1 ARG 89 -6.057 -0.067 14.270 193 2HH1 ARG 89 1HH1 ARG 89 -5.816 -0.854 15.793 194 1HH2 ARG 89 2HH2 ARG 89 -2.331 -0.629 15.697 195 2HH2 ARG 89 1HH2 ARG 89 -3.703 -1.173 16.603 196 H ILE 90 HN ILE 90 -1.074 1.535 8.408 197 HA ILE 90 HA ILE 90 -1.533 -0.646 6.749 198 HB ILE 90 HB ILE 90 1.026 -0.101 8.254 199 1HG1 ILE 90 2HG1 ILE 90 0.138 1.887 7.056 200 2HG1 ILE 90 3HG1 ILE 90 1.671 1.333 6.423 201 1HG2 ILE 90 1HG2 ILE 90 2.017 -1.627 6.961 202 2HG2 ILE 90 2HG2 ILE 90 0.386 -2.211 6.629 203 3HG2 ILE 90 3HG2 ILE 90 1.162 -1.084 5.516 204 1HD1 ILE 90 1HD1 ILE 90 -0.418 0.051 4.987 205 2HD1 ILE 90 2HD1 ILE 90 -0.748 1.783 5.046 206 3HD1 ILE 90 3HD1 ILE 90 0.787 1.200 4.402 207 H LEU 91 HN LEU 91 -2.387 -2.471 7.248 208 HA LEU 91 HA LEU 91 -2.213 -3.651 9.872 209 1HB LEU 91 2HB LEU 91 -3.275 -4.894 7.339 210 2HB LEU 91 3HB LEU 91 -3.695 -5.308 8.990 211 HG LEU 91 HG LEU 91 -4.375 -2.724 7.588 212 1HD1 LEU 91 1HD1 LEU 91 -6.753 -3.710 8.092 213 2HD1 LEU 91 2HD1 LEU 91 -5.863 -4.135 6.629 214 3HD1 LEU 91 3HD1 LEU 91 -5.879 -5.242 8.001 215 1HD2 LEU 91 1HD2 LEU 91 -4.501 -1.927 9.674 216 2HD2 LEU 91 2HD2 LEU 91 -5.977 -2.885 9.795 217 3HD2 LEU 91 3HD2 LEU 91 -4.451 -3.537 10.392 218 H GLU 92 HN GLU 92 -1.128 -4.354 6.605 219 HA GLU 92 HA GLU 92 1.160 -5.796 7.673 220 1HB GLU 92 2HB GLU 92 -1.045 -7.101 6.438 221 2HB GLU 92 3HB GLU 92 0.327 -7.188 5.339 222 1HG GLU 92 2HG GLU 92 1.153 -8.847 6.534 223 2HG GLU 92 3HG GLU 92 1.324 -7.735 7.895 224 H GLN 93 HN GLN 93 2.997 -5.455 6.540 225 HA GLN 93 HA GLN 93 2.741 -3.934 4.051 226 1HB GLN 93 2HB GLN 93 5.020 -2.943 4.910 227 2HB GLN 93 3HB GLN 93 3.483 -2.265 5.414 228 1HG GLN 93 2HG GLN 93 3.593 -3.768 7.393 229 2HG GLN 93 3HG GLN 93 5.222 -4.152 6.891 230 1HE2 GLN 93 1HE2 GLN 93 6.806 -2.963 7.706 231 2HE2 GLN 93 2HE2 GLN 93 6.630 -1.395 8.410 232 H SER 94 HN SER 94 3.033 -6.731 4.244 233 HA SER 94 HA SER 94 5.815 -7.219 3.486 234 1HB SER 94 2HB SER 94 4.338 -9.604 3.265 235 2HB SER 94 3HB SER 94 5.458 -9.161 4.551 236 HG SER 94 HG SER 94 3.741 -8.309 5.709 237 H GLY 95 HN GLY 95 6.385 -7.211 1.421 238 1HA GLY 95 1HA GLY 95 6.210 -7.812 -0.856 239 2HA GLY 95 2HA GLY 95 4.502 -8.127 -0.612 240 H GLU 96 HN GLU 96 5.581 -6.751 -2.768 241 HA GLU 96 HA GLU 96 5.693 -4.018 -2.709 242 1HB GLU 96 2HB GLU 96 6.125 -4.742 -4.803 243 2HB GLU 96 3HB GLU 96 4.962 -6.058 -4.692 244 1HG GLU 96 2HG GLU 96 3.170 -4.603 -5.120 245 2HG GLU 96 3HG GLU 96 4.219 -3.190 -5.059 246 H TRP 97 HN TRP 97 2.923 -5.990 -2.085 247 HA TRP 97 HA TRP 97 1.203 -3.607 -2.203 248 1HB TRP 97 2HB TRP 97 0.628 -6.529 -2.596 249 2HB TRP 97 3HB TRP 97 -0.656 -5.409 -2.154 250 HD1 TRP 97 1HD TRP 97 1.703 -6.263 -5.042 251 HE1 TRP 97 1HE TRP 97 0.862 -5.089 -7.172 252 HE3 TRP 97 3HE TRP 97 -2.021 -3.435 -2.989 253 HZ2 TRP 97 2HZ TRP 97 -1.119 -3.205 -7.884 254 HZ3 TRP 97 3HZ TRP 97 -3.339 -1.972 -4.453 255 HH2 TRP 97 2HH TRP 97 -2.894 -1.855 -6.852 256 H TRP 98 HN TRP 98 0.949 -2.713 -0.268 257 HA TRP 98 HA TRP 98 1.141 -4.351 2.135 258 1HB TRP 98 2HB TRP 98 1.111 -1.371 1.697 259 2HB TRP 98 3HB TRP 98 1.049 -2.103 3.291 260 HD1 TRP 98 1HD TRP 98 3.249 -4.212 1.295 261 HE1 TRP 98 1HE TRP 98 5.723 -3.647 1.738 262 HE3 TRP 98 3HE TRP 98 2.617 0.234 3.681 263 HZ2 TRP 98 2HZ TRP 98 7.209 -1.553 2.940 264 HZ3 TRP 98 3HZ TRP 98 4.600 1.477 4.444 265 HH2 TRP 98 2HH TRP 98 6.853 0.595 4.085 266 H LYS 99 HN LYS 99 -0.447 -4.661 3.586 267 HA LYS 99 HA LYS 99 -3.167 -4.080 2.755 268 1HB LYS 99 2HB LYS 99 -2.716 -6.309 3.614 269 2HB LYS 99 3HB LYS 99 -2.029 -5.639 5.083 270 1HG LYS 99 2HG LYS 99 -4.430 -6.591 5.125 271 2HG LYS 99 3HG LYS 99 -4.085 -5.073 5.957 272 1HD LYS 99 2HD LYS 99 -5.098 -3.795 4.333 273 2HD LYS 99 3HD LYS 99 -5.030 -5.082 3.125 274 1HE LYS 99 2HE LYS 99 -6.528 -5.973 5.398 275 2HE LYS 99 3HE LYS 99 -7.157 -4.421 4.855 276 1HZ LYS 99 1HZ LYS 99 -8.283 -5.634 3.379 277 2HZ LYS 99 2HZ LYS 99 -7.316 -7.003 3.601 278 3HZ LYS 99 3HZ LYS 99 -6.820 -5.781 2.542 279 H ALA 100 HN ALA 100 -4.039 -2.165 3.320 280 HA ALA 100 HA ALA 100 -3.223 -1.015 5.909 281 1HB ALA 100 1HB ALA 100 -2.650 0.138 3.575 282 2HB ALA 100 2HB ALA 100 -4.269 0.802 3.819 283 3HB ALA 100 3HB ALA 100 -3.015 1.061 5.036 284 H GLN 101 HN GLN 101 -4.748 -0.157 7.232 285 HA GLN 101 HA GLN 101 -7.534 -0.640 6.426 286 1HB GLN 101 2HB GLN 101 -7.012 -1.943 8.370 287 2HB GLN 101 3HB GLN 101 -6.262 -0.575 9.171 288 1HG GLN 101 2HG GLN 101 -8.537 0.499 9.024 289 2HG GLN 101 3HG GLN 101 -9.167 -1.082 8.631 290 1HE2 GLN 101 1HE2 GLN 101 -7.580 0.853 11.069 291 2HE2 GLN 101 2HE2 GLN 101 -7.955 -0.170 12.409 292 H SER 102 HN SER 102 -8.417 1.169 5.747 293 HA SER 102 HA SER 102 -7.466 3.719 6.012 294 1HB SER 102 2HB SER 102 -9.887 2.429 5.124 295 2HB SER 102 3HB SER 102 -10.241 3.942 5.915 296 HG SER 102 HG SER 102 -8.788 3.466 3.590 297 H LEU 103 HN LEU 103 -8.572 5.551 7.198 298 HA LEU 103 HA LEU 103 -9.271 4.672 9.922 299 1HB LEU 103 2HB LEU 103 -7.380 6.819 9.048 300 2HB LEU 103 3HB LEU 103 -8.081 6.794 10.653 301 HG LEU 103 HG LEU 103 -7.170 4.233 10.434 302 1HD1 LEU 103 1HD1 LEU 103 -5.394 6.012 8.813 303 2HD1 LEU 103 2HD1 LEU 103 -4.800 4.544 9.593 304 3HD1 LEU 103 3HD1 LEU 103 -6.084 4.446 8.386 305 1HD2 LEU 103 1HD2 LEU 103 -5.649 4.760 12.075 306 2HD2 LEU 103 2HD2 LEU 103 -5.283 6.343 11.382 307 3HD2 LEU 103 3HD2 LEU 103 -6.813 6.080 12.221 308 H THR 104 HN THR 104 -9.942 6.794 7.301 309 HA THR 104 HA THR 104 -11.734 8.475 8.820 310 HB THR 104 HB THR 104 -11.665 8.291 5.824 311 HG1 THR 104 1HG THR 104 -9.900 9.758 5.888 312 1HG2 THR 104 1HG2 THR 104 -13.225 9.843 6.539 313 2HG2 THR 104 2HG2 THR 104 -11.797 10.797 6.132 314 3HG2 THR 104 3HG2 THR 104 -12.170 10.443 7.819 315 H THR 105 HN THR 105 -11.810 5.859 6.538 316 HA THR 105 HA THR 105 -14.703 5.461 6.893 317 HB THR 105 HB THR 105 -14.753 4.650 4.766 318 HG1 THR 105 1HG THR 105 -12.021 3.964 4.934 319 1HG2 THR 105 1HG2 THR 105 -13.272 5.843 3.241 320 2HG2 THR 105 2HG2 THR 105 -12.272 6.317 4.616 321 3HG2 THR 105 3HG2 THR 105 -13.931 6.905 4.486 322 H GLY 106 HN GLY 106 -11.568 4.072 6.960 323 1HA GLY 106 1HA GLY 106 -10.660 2.416 8.181 324 2HA GLY 106 2HA GLY 106 -12.234 2.028 8.817 325 H GLN 107 HN GLN 107 -12.559 2.139 5.533 326 HA GLN 107 HA GLN 107 -13.044 -0.517 5.164 327 1HB GLN 107 2HB GLN 107 -12.392 1.747 3.396 328 2HB GLN 107 3HB GLN 107 -12.430 0.139 2.698 329 1HG GLN 107 2HG GLN 107 -14.612 0.485 2.466 330 2HG GLN 107 3HG GLN 107 -14.682 0.172 4.200 331 1HE2 GLN 107 1HE2 GLN 107 -14.005 2.845 1.961 332 2HE2 GLN 107 2HE2 GLN 107 -14.881 4.038 2.851 333 H GLU 108 HN GLU 108 -11.845 -2.244 5.125 334 HA GLU 108 HA GLU 108 -8.951 -1.974 5.078 335 1HB GLU 108 2HB GLU 108 -10.658 -4.415 5.541 336 2HB GLU 108 3HB GLU 108 -8.924 -4.323 5.751 337 1HG GLU 108 2HG GLU 108 -9.137 -3.527 7.788 338 2HG GLU 108 3HG GLU 108 -10.231 -2.256 7.253 339 H GLY 109 HN GLY 109 -7.575 -2.924 3.625 340 1HA GLY 109 1HA GLY 109 -8.211 -4.743 1.622 341 2HA GLY 109 2HA GLY 109 -8.485 -3.144 0.950 342 H PHE 110 HN PHE 110 -6.686 -4.436 -0.372 343 HA PHE 110 HA PHE 110 -4.034 -4.090 0.717 344 1HB PHE 110 2HB PHE 110 -5.263 -5.433 -1.603 345 2HB PHE 110 3HB PHE 110 -3.660 -4.780 -1.880 346 HD1 PHE 110 1HD PHE 110 -2.223 -6.595 -1.931 347 HD2 PHE 110 2HD PHE 110 -5.136 -6.326 1.161 348 HE1 PHE 110 1HE PHE 110 -1.239 -8.567 -0.838 349 HE2 PHE 110 2HE PHE 110 -4.156 -8.296 2.260 350 HZ PHE 110 HZ PHE 110 -2.205 -9.419 1.261 351 H ILE 111 HN ILE 111 -2.418 -2.744 -0.240 352 HA ILE 111 HA ILE 111 -3.325 -0.735 -2.150 353 HB ILE 111 HB ILE 111 -2.622 1.151 -0.786 354 1HG1 ILE 111 2HG1 ILE 111 -2.410 -0.554 1.657 355 2HG1 ILE 111 3HG1 ILE 111 -1.042 -0.498 0.555 356 1HG2 ILE 111 1HG2 ILE 111 -4.965 0.092 -0.654 357 2HG2 ILE 111 2HG2 ILE 111 -4.474 -0.427 0.960 358 3HG2 ILE 111 3HG2 ILE 111 -4.509 1.290 0.557 359 1HD1 ILE 111 1HD1 ILE 111 -0.463 1.185 1.941 360 2HD1 ILE 111 2HD1 ILE 111 -1.428 2.101 0.781 361 3HD1 ILE 111 3HD1 ILE 111 -2.136 1.601 2.318 362 HA PRO 112 HA PRO 112 0.687 -1.111 -3.879 363 1HB PRO 112 2HB PRO 112 0.971 1.609 -4.541 364 2HB PRO 112 3HB PRO 112 0.294 0.347 -5.572 365 1HG PRO 112 2HG PRO 112 -1.096 2.367 -3.910 366 2HG PRO 112 3HG PRO 112 -1.601 1.612 -5.419 367 1HD PRO 112 2HD PRO 112 -2.660 0.945 -3.037 368 2HD PRO 112 3HD PRO 112 -2.482 -0.214 -4.361 369 H PHE 113 HN PHE 113 2.307 -1.441 -2.445 370 HA PHE 113 HA PHE 113 2.805 -0.018 -0.134 371 1HB PHE 113 2HB PHE 113 4.739 -1.277 0.111 372 2HB PHE 113 3HB PHE 113 3.771 -2.282 -0.961 373 HD1 PHE 113 1HD PHE 113 6.940 -1.728 -0.396 374 HD2 PHE 113 2HD PHE 113 4.190 -1.011 -3.562 375 HE1 PHE 113 1HE PHE 113 8.797 -1.755 -2.010 376 HE2 PHE 113 2HE PHE 113 6.041 -1.036 -5.182 377 HZ PHE 113 HZ PHE 113 8.348 -1.409 -4.406 378 H ASN 114 HN ASN 114 3.626 0.851 -3.378 379 HA ASN 114 HA ASN 114 5.469 2.925 -2.439 380 1HB ASN 114 2HB ASN 114 5.845 3.251 -4.939 381 2HB ASN 114 3HB ASN 114 6.400 1.727 -4.256 382 1HD2 ASN 114 1HD2 ASN 114 5.175 2.872 -6.920 383 2HD2 ASN 114 2HD2 ASN 114 4.123 1.591 -7.407 384 H PHE 115 HN PHE 115 2.594 3.083 -1.977 385 HA PHE 115 HA PHE 115 1.967 5.469 -3.595 386 1HB PHE 115 2HB PHE 115 0.471 3.109 -3.245 387 2HB PHE 115 3HB PHE 115 -0.352 4.346 -2.310 388 HD1 PHE 115 1HD PHE 115 -2.203 4.970 -3.483 389 HD2 PHE 115 2HD PHE 115 1.489 4.548 -5.545 390 HE1 PHE 115 1HE PHE 115 -3.251 5.839 -5.517 391 HE2 PHE 115 2HE PHE 115 0.446 5.420 -7.595 392 HZ PHE 115 HZ PHE 115 -1.931 6.070 -7.586 393 H VAL 116 HN VAL 116 2.307 4.158 -0.401 394 HA VAL 116 HA VAL 116 1.257 6.668 0.720 395 HB VAL 116 HB VAL 116 0.952 5.402 2.837 396 1HG1 VAL 116 1HG1 VAL 116 -1.157 4.815 2.255 397 2HG1 VAL 116 2HG1 VAL 116 -0.717 5.702 0.795 398 3HG1 VAL 116 3HG1 VAL 116 -0.636 3.940 0.814 399 1HG2 VAL 116 1HG2 VAL 116 0.765 2.772 1.894 400 2HG2 VAL 116 2HG2 VAL 116 2.328 3.363 1.334 401 3HG2 VAL 116 3HG2 VAL 116 1.934 3.408 3.052 402 H ALA 117 HN ALA 117 2.257 7.649 2.442 403 HA ALA 117 HA ALA 117 4.963 6.792 3.158 404 1HB ALA 117 1HB ALA 117 5.787 8.388 1.798 405 2HB ALA 117 2HB ALA 117 4.236 9.218 1.670 406 3HB ALA 117 3HB ALA 117 5.275 9.498 3.068 407 H LYS 118 HN LYS 118 5.481 7.228 5.286 408 HA LYS 118 HA LYS 118 3.635 7.323 7.237 409 1HB LYS 118 2HB LYS 118 6.463 7.853 7.085 410 2HB LYS 118 3HB LYS 118 5.721 8.904 8.280 411 1HG LYS 118 2HG LYS 118 6.626 6.635 9.045 412 2HG LYS 118 3HG LYS 118 5.022 7.121 9.597 413 1HD LYS 118 2HD LYS 118 3.956 5.569 8.301 414 2HD LYS 118 3HD LYS 118 5.227 5.558 7.078 415 1HE LYS 118 2HE LYS 118 5.587 3.517 8.047 416 2HE LYS 118 3HE LYS 118 6.643 4.522 9.039 417 1HZ LYS 118 1HZ LYS 118 4.837 2.863 10.048 418 2HZ LYS 118 2HZ LYS 118 3.895 4.264 9.949 419 3HZ LYS 118 3HZ LYS 118 5.333 4.275 10.838 420 H ALA 119 HN ALA 119 2.457 8.766 8.400 421 HA ALA 119 HA ALA 119 1.766 11.231 7.145 422 1HB ALA 119 1HB ALA 119 0.546 11.527 9.477 423 2HB ALA 119 2HB ALA 119 -0.062 10.415 8.253 424 3HB ALA 119 3HB ALA 119 0.891 9.804 9.610 425 H ASN 120 HN ASN 120 4.392 11.519 7.464 426 HA ASN 120 HA ASN 120 4.623 13.478 9.649 427 1HB ASN 120 2HB ASN 120 5.973 11.213 9.779 428 2HB ASN 120 3HB ASN 120 7.047 12.038 8.654 429 1HD2 ASN 120 1HD2 ASN 120 7.049 11.219 11.634 430 2HD2 ASN 120 2HD2 ASN 120 7.682 12.623 12.417 Start of MODEL 18 1 H ASN 64 HN ASN 64 1.215 2.927 12.885 2 HA ASN 64 HA ASN 64 3.345 2.132 11.212 3 1HB ASN 64 2HB ASN 64 1.258 0.071 11.824 4 2HB ASN 64 3HB ASN 64 1.890 0.176 10.188 5 1HD2 ASN 64 1HD2 ASN 64 2.186 -2.061 11.813 6 2HD2 ASN 64 2HD2 ASN 64 3.864 -2.269 12.165 7 H LEU 65 HN LEU 65 1.281 4.206 11.606 8 HA LEU 65 HA LEU 65 -0.454 3.888 9.325 9 1HB LEU 65 2HB LEU 65 -1.484 4.926 11.137 10 2HB LEU 65 3HB LEU 65 -0.170 6.047 11.383 11 HG LEU 65 HG LEU 65 -0.762 7.157 9.293 12 1HD1 LEU 65 1HD1 LEU 65 -2.284 4.785 8.912 13 2HD1 LEU 65 2HD1 LEU 65 -3.350 6.186 8.813 14 3HD1 LEU 65 3HD1 LEU 65 -1.935 6.080 7.762 15 1HD2 LEU 65 1HD2 LEU 65 -1.723 7.997 11.358 16 2HD2 LEU 65 2HD2 LEU 65 -2.887 8.152 10.041 17 3HD2 LEU 65 3HD2 LEU 65 -3.057 6.853 11.221 18 H VAL 66 HN VAL 66 -0.438 4.960 7.520 19 HA VAL 66 HA VAL 66 1.874 6.674 6.898 20 HB VAL 66 HB VAL 66 1.583 5.730 4.559 21 1HG1 VAL 66 1HG1 VAL 66 2.722 4.187 6.858 22 2HG1 VAL 66 2HG1 VAL 66 2.935 3.661 5.186 23 3HG1 VAL 66 3HG1 VAL 66 3.566 5.224 5.706 24 1HG2 VAL 66 1HG2 VAL 66 0.117 3.630 6.130 25 2HG2 VAL 66 2HG2 VAL 66 -0.510 4.599 4.796 26 3HG2 VAL 66 3HG2 VAL 66 0.739 3.390 4.498 27 H ILE 67 HN ILE 67 1.396 7.621 4.549 28 HA ILE 67 HA ILE 67 -1.358 8.488 4.317 29 HB ILE 67 HB ILE 67 0.710 10.192 5.398 30 1HG1 ILE 67 2HG1 ILE 67 -2.239 10.391 4.879 31 2HG1 ILE 67 3HG1 ILE 67 -1.443 9.992 6.373 32 1HG2 ILE 67 1HG2 ILE 67 -0.638 11.162 2.877 33 2HG2 ILE 67 2HG2 ILE 67 0.197 12.199 4.033 34 3HG2 ILE 67 3HG2 ILE 67 1.096 10.970 3.142 35 1HD1 ILE 67 1HD1 ILE 67 -2.328 12.503 5.473 36 2HD1 ILE 67 2HD1 ILE 67 -1.497 12.113 6.981 37 3HD1 ILE 67 3HD1 ILE 67 -0.565 12.562 5.552 38 H ALA 68 HN ALA 68 -1.987 8.465 2.308 39 HA ALA 68 HA ALA 68 -0.308 7.654 0.213 40 1HB ALA 68 1HB ALA 68 -3.021 7.813 0.599 41 2HB ALA 68 2HB ALA 68 -2.731 8.986 -0.687 42 3HB ALA 68 3HB ALA 68 -2.213 7.312 -0.887 43 H LEU 69 HN LEU 69 0.332 8.695 -1.686 44 HA LEU 69 HA LEU 69 0.587 11.625 -1.472 45 1HB LEU 69 2HB LEU 69 2.530 9.579 -2.532 46 2HB LEU 69 3HB LEU 69 2.712 11.303 -2.799 47 HG LEU 69 HG LEU 69 2.700 9.948 -0.099 48 1HD1 LEU 69 1HD1 LEU 69 4.776 9.390 -0.943 49 2HD1 LEU 69 2HD1 LEU 69 4.889 10.852 -1.926 50 3HD1 LEU 69 3HD1 LEU 69 5.113 10.942 -0.180 51 1HD2 LEU 69 1HD2 LEU 69 3.431 12.178 0.705 52 2HD2 LEU 69 2HD2 LEU 69 3.107 12.825 -0.903 53 3HD2 LEU 69 3HD2 LEU 69 1.788 12.168 0.065 54 H HIS 70 HN HIS 70 -1.237 9.549 -2.964 55 HA HIS 70 HA HIS 70 -1.656 11.148 -5.275 56 1HB HIS 70 2HB HIS 70 -1.239 8.689 -6.562 57 2HB HIS 70 3HB HIS 70 -0.275 10.150 -6.734 58 HD1 HIS 70 1HD HIS 70 1.952 8.961 -7.015 59 HD2 HIS 70 2HD HIS 70 -0.017 7.903 -3.518 60 HE1 HIS 70 1HE HIS 70 3.635 7.682 -5.661 61 HE2 HIS 70 2HE HIS 70 2.474 7.215 -3.478 62 H SER 71 HN SER 71 -3.662 10.779 -6.172 63 HA SER 71 HA SER 71 -5.583 9.439 -4.645 64 1HB SER 71 2HB SER 71 -6.151 9.777 -7.537 65 2HB SER 71 3HB SER 71 -7.107 10.259 -6.136 66 HG SER 71 HG SER 71 -5.650 11.813 -7.624 67 H TYR 72 HN TYR 72 -6.079 7.356 -4.465 68 HA TYR 72 HA TYR 72 -4.987 5.508 -6.476 69 1HB TYR 72 2HB TYR 72 -4.339 5.196 -4.070 70 2HB TYR 72 3HB TYR 72 -6.013 4.800 -3.732 71 HD1 TYR 72 1HD TYR 72 -6.171 2.544 -3.282 72 HD2 TYR 72 2HD TYR 72 -3.724 3.813 -6.521 73 HE1 TYR 72 1HE TYR 72 -5.763 0.198 -3.887 74 HE2 TYR 72 2HE TYR 72 -3.316 1.470 -7.136 75 HH TYR 72 HH TYR 72 -4.559 -0.760 -6.803 76 H GLU 73 HN GLU 73 -6.166 3.892 -7.398 77 HA GLU 73 HA GLU 73 -9.043 3.821 -6.940 78 1HB GLU 73 2HB GLU 73 -7.751 4.884 -9.220 79 2HB GLU 73 3HB GLU 73 -8.579 3.418 -9.699 80 1HG GLU 73 2HG GLU 73 -10.666 4.263 -8.964 81 2HG GLU 73 3HG GLU 73 -9.889 5.613 -8.138 82 HA PRO 74 HA PRO 74 -7.446 -0.406 -6.239 83 1HB PRO 74 2HB PRO 74 -10.248 -1.098 -6.160 84 2HB PRO 74 3HB PRO 74 -9.084 -1.049 -4.836 85 1HG PRO 74 2HG PRO 74 -11.054 0.972 -5.666 86 2HG PRO 74 3HG PRO 74 -10.257 0.751 -4.100 87 1HD PRO 74 2HD PRO 74 -9.642 2.810 -5.745 88 2HD PRO 74 3HD PRO 74 -8.419 2.017 -4.725 89 H SER 75 HN SER 75 -6.867 -1.740 -7.791 90 HA SER 75 HA SER 75 -8.671 -2.142 -10.085 91 1HB SER 75 2HB SER 75 -6.297 -0.872 -10.300 92 2HB SER 75 3HB SER 75 -5.764 -2.539 -10.513 93 HG SER 75 HG SER 75 -6.830 -0.999 -12.323 94 H HIS 76 HN HIS 76 -6.171 -3.535 -8.010 95 HA HIS 76 HA HIS 76 -6.523 -6.188 -9.073 96 1HB HIS 76 2HB HIS 76 -4.805 -4.912 -7.007 97 2HB HIS 76 3HB HIS 76 -5.141 -6.630 -6.810 98 HD1 HIS 76 1HD HIS 76 -3.399 -4.203 -9.072 99 HD2 HIS 76 2HD HIS 76 -3.893 -8.309 -8.654 100 HE1 HIS 76 1HE HIS 76 -1.723 -5.244 -10.632 101 HE2 HIS 76 2HE HIS 76 -1.978 -7.728 -10.293 102 H ASP 77 HN ASP 77 -6.986 -8.025 -7.513 103 HA ASP 77 HA ASP 77 -9.561 -7.584 -6.348 104 1HB ASP 77 2HB ASP 77 -7.749 -9.996 -6.460 105 2HB ASP 77 3HB ASP 77 -9.326 -10.020 -5.675 106 H GLY 78 HN GLY 78 -10.168 -7.597 -4.205 107 1HA GLY 78 1HA GLY 78 -9.955 -7.263 -1.941 108 2HA GLY 78 2HA GLY 78 -8.526 -8.278 -2.034 109 H ASP 79 HN ASP 79 -9.112 -5.136 -3.573 110 HA ASP 79 HA ASP 79 -6.759 -4.119 -2.136 111 1HB ASP 79 2HB ASP 79 -7.954 -3.306 -4.785 112 2HB ASP 79 3HB ASP 79 -6.655 -2.424 -3.988 113 H LEU 80 HN LEU 80 -6.759 -1.931 -1.430 114 HA LEU 80 HA LEU 80 -9.445 -0.945 -0.745 115 1HB LEU 80 2HB LEU 80 -8.481 -1.365 1.304 116 2HB LEU 80 3HB LEU 80 -6.861 -1.031 0.734 117 HG LEU 80 HG LEU 80 -7.480 1.409 0.704 118 1HD1 LEU 80 1HD1 LEU 80 -9.446 1.711 2.496 119 2HD1 LEU 80 2HD1 LEU 80 -9.720 1.714 0.753 120 3HD1 LEU 80 3HD1 LEU 80 -10.009 0.247 1.688 121 1HD2 LEU 80 1HD2 LEU 80 -6.146 0.416 2.491 122 2HD2 LEU 80 2HD2 LEU 80 -7.207 1.678 3.112 123 3HD2 LEU 80 3HD2 LEU 80 -7.620 -0.019 3.353 124 H GLY 81 HN GLY 81 -10.028 1.052 -1.398 125 1HA GLY 81 1HA GLY 81 -8.066 2.548 -2.973 126 2HA GLY 81 2HA GLY 81 -9.804 2.755 -3.049 127 H PHE 82 HN PHE 82 -7.521 4.630 -2.610 128 HA PHE 82 HA PHE 82 -8.729 6.066 -0.388 129 1HB PHE 82 2HB PHE 82 -6.287 6.639 0.344 130 2HB PHE 82 3HB PHE 82 -7.036 5.146 0.888 131 HD1 PHE 82 1HD PHE 82 -4.160 6.543 -0.518 132 HD2 PHE 82 2HD PHE 82 -6.611 3.072 -0.706 133 HE1 PHE 82 1HE PHE 82 -2.271 5.261 -1.460 134 HE2 PHE 82 2HE PHE 82 -4.736 1.797 -1.652 135 HZ PHE 82 HZ PHE 82 -2.565 2.887 -2.023 136 H GLU 83 HN GLU 83 -7.517 8.274 -0.180 137 HA GLU 83 HA GLU 83 -7.263 9.322 -2.919 138 1HB GLU 83 2HB GLU 83 -8.651 10.224 -0.525 139 2HB GLU 83 3HB GLU 83 -7.625 11.476 -1.203 140 1HG GLU 83 2HG GLU 83 -8.911 10.422 -3.403 141 2HG GLU 83 3HG GLU 83 -10.147 10.418 -2.147 142 H LYS 84 HN LYS 84 -5.941 11.488 -2.875 143 HA LYS 84 HA LYS 84 -3.296 10.786 -2.039 144 1HB LYS 84 2HB LYS 84 -3.355 11.991 -4.040 145 2HB LYS 84 3HB LYS 84 -4.522 13.147 -3.423 146 1HG LYS 84 2HG LYS 84 -2.568 13.808 -1.807 147 2HG LYS 84 3HG LYS 84 -1.568 13.034 -3.034 148 1HD LYS 84 2HD LYS 84 -3.343 14.655 -4.443 149 2HD LYS 84 3HD LYS 84 -2.833 15.622 -3.060 150 1HE LYS 84 2HE LYS 84 -0.695 14.151 -4.458 151 2HE LYS 84 3HE LYS 84 -1.455 15.450 -5.377 152 1HZ LYS 84 1HZ LYS 84 -0.570 17.018 -4.055 153 2HZ LYS 84 2HZ LYS 84 0.564 15.821 -3.681 154 3HZ LYS 84 3HZ LYS 84 -0.740 16.103 -2.642 155 H GLY 85 HN GLY 85 -2.245 11.372 -0.234 156 1HA GLY 85 1HA GLY 85 -1.774 12.532 1.739 157 2HA GLY 85 2HA GLY 85 -3.144 13.591 1.405 158 H GLU 86 HN GLU 86 -4.558 10.782 0.960 159 HA GLU 86 HA GLU 86 -5.991 10.723 3.344 160 1HB GLU 86 2HB GLU 86 -6.229 9.518 0.923 161 2HB GLU 86 3HB GLU 86 -5.661 8.169 1.887 162 1HG GLU 86 2HG GLU 86 -8.267 9.085 1.590 163 2HG GLU 86 3HG GLU 86 -7.684 7.822 2.653 164 H GLN 87 HN GLN 87 -6.063 8.825 4.847 165 HA GLN 87 HA GLN 87 -3.338 7.860 5.390 166 1HB GLN 87 2HB GLN 87 -5.333 8.416 7.563 167 2HB GLN 87 3HB GLN 87 -3.603 8.160 7.709 168 1HG GLN 87 2HG GLN 87 -3.103 10.289 7.258 169 2HG GLN 87 3HG GLN 87 -4.365 10.435 6.040 170 1HE2 GLN 87 1HE2 GLN 87 -4.671 9.490 9.421 171 2HE2 GLN 87 2HE2 GLN 87 -5.682 10.811 9.889 172 H LEU 88 HN LEU 88 -3.094 5.854 6.196 173 HA LEU 88 HA LEU 88 -5.408 4.119 6.554 174 1HB LEU 88 2HB LEU 88 -3.264 3.010 4.839 175 2HB LEU 88 3HB LEU 88 -4.976 2.642 4.872 176 HG LEU 88 HG LEU 88 -4.393 5.332 3.878 177 1HD1 LEU 88 1HD1 LEU 88 -2.501 3.595 3.119 178 2HD1 LEU 88 2HD1 LEU 88 -3.736 3.245 1.907 179 3HD1 LEU 88 3HD1 LEU 88 -3.112 4.886 2.079 180 1HD2 LEU 88 1HD2 LEU 88 -6.052 4.759 2.286 181 2HD2 LEU 88 2HD2 LEU 88 -5.858 3.032 2.614 182 3HD2 LEU 88 3HD2 LEU 88 -6.578 4.091 3.834 183 H ARG 89 HN ARG 89 -5.076 2.794 8.184 184 HA ARG 89 HA ARG 89 -2.506 2.723 9.452 185 1HB ARG 89 2HB ARG 89 -4.349 2.860 10.924 186 2HB ARG 89 3HB ARG 89 -5.208 1.566 10.101 187 1HG ARG 89 2HG ARG 89 -3.634 -0.045 10.903 188 2HG ARG 89 3HG ARG 89 -2.654 1.225 11.619 189 1HD ARG 89 2HD ARG 89 -4.783 1.840 12.909 190 2HD ARG 89 3HD ARG 89 -5.347 0.239 12.463 191 HE ARG 89 HE ARG 89 -2.738 0.340 13.709 192 1HH1 ARG 89 2HH1 ARG 89 -6.175 -0.051 14.190 193 2HH1 ARG 89 1HH1 ARG 89 -5.995 -0.874 15.703 194 1HH2 ARG 89 2HH2 ARG 89 -2.503 -0.741 15.699 195 2HH2 ARG 89 1HH2 ARG 89 -3.913 -1.265 16.559 196 H ILE 90 HN ILE 90 -1.055 1.542 8.433 197 HA ILE 90 HA ILE 90 -1.537 -0.638 6.770 198 HB ILE 90 HB ILE 90 1.042 -0.129 8.256 199 1HG1 ILE 90 2HG1 ILE 90 0.227 1.905 7.130 200 2HG1 ILE 90 3HG1 ILE 90 1.690 1.293 6.389 201 1HG2 ILE 90 1HG2 ILE 90 1.105 -1.065 5.491 202 2HG2 ILE 90 2HG2 ILE 90 2.011 -1.623 6.900 203 3HG2 ILE 90 3HG2 ILE 90 0.368 -2.206 6.618 204 1HD1 ILE 90 1HD1 ILE 90 -0.808 1.866 5.188 205 2HD1 ILE 90 2HD1 ILE 90 0.674 1.283 4.429 206 3HD1 ILE 90 3HD1 ILE 90 -0.511 0.133 5.046 207 H LEU 91 HN LEU 91 -2.386 -2.461 7.274 208 HA LEU 91 HA LEU 91 -2.206 -3.633 9.900 209 1HB LEU 91 2HB LEU 91 -3.277 -4.895 7.382 210 2HB LEU 91 3HB LEU 91 -3.705 -5.277 9.039 211 HG LEU 91 HG LEU 91 -4.366 -2.721 7.577 212 1HD1 LEU 91 1HD1 LEU 91 -6.746 -3.722 8.204 213 2HD1 LEU 91 2HD1 LEU 91 -5.922 -4.068 6.684 214 3HD1 LEU 91 3HD1 LEU 91 -5.849 -5.231 8.008 215 1HD2 LEU 91 1HD2 LEU 91 -4.442 -3.459 10.408 216 2HD2 LEU 91 2HD2 LEU 91 -4.441 -1.869 9.647 217 3HD2 LEU 91 3HD2 LEU 91 -5.946 -2.775 9.793 218 H GLU 92 HN GLU 92 -1.147 -4.366 6.628 219 HA GLU 92 HA GLU 92 1.145 -5.805 7.699 220 1HB GLU 92 2HB GLU 92 -1.066 -7.104 6.461 221 2HB GLU 92 3HB GLU 92 0.314 -7.207 5.374 222 1HG GLU 92 2HG GLU 92 1.116 -8.864 6.587 223 2HG GLU 92 3HG GLU 92 1.294 -7.740 7.938 224 H GLN 93 HN GLN 93 2.980 -5.459 6.577 225 HA GLN 93 HA GLN 93 2.732 -3.943 4.083 226 1HB GLN 93 2HB GLN 93 5.030 -2.980 4.951 227 2HB GLN 93 3HB GLN 93 3.497 -2.277 5.433 228 1HG GLN 93 2HG GLN 93 3.562 -3.768 7.422 229 2HG GLN 93 3HG GLN 93 5.191 -4.180 6.942 230 1HE2 GLN 93 1HE2 GLN 93 6.615 -3.180 8.180 231 2HE2 GLN 93 2HE2 GLN 93 6.520 -1.538 8.712 232 H SER 94 HN SER 94 3.005 -6.743 4.270 233 HA SER 94 HA SER 94 5.780 -7.243 3.495 234 1HB SER 94 2HB SER 94 4.299 -9.629 3.310 235 2HB SER 94 3HB SER 94 5.434 -9.177 4.579 236 HG SER 94 HG SER 94 3.140 -9.721 5.160 237 H GLY 95 HN GLY 95 6.324 -7.255 1.421 238 1HA GLY 95 1HA GLY 95 6.112 -7.893 -0.847 239 2HA GLY 95 2HA GLY 95 4.400 -8.171 -0.577 240 H GLU 96 HN GLU 96 5.464 -6.848 -2.765 241 HA GLU 96 HA GLU 96 5.624 -4.109 -2.725 242 1HB GLU 96 2HB GLU 96 6.056 -4.868 -4.810 243 2HB GLU 96 3HB GLU 96 4.868 -6.160 -4.690 244 1HG GLU 96 2HG GLU 96 3.106 -4.682 -5.144 245 2HG GLU 96 3HG GLU 96 4.174 -3.283 -5.082 246 H TRP 97 HN TRP 97 2.850 -6.045 -2.056 247 HA TRP 97 HA TRP 97 1.144 -3.654 -2.206 248 1HB TRP 97 2HB TRP 97 0.544 -6.576 -2.567 249 2HB TRP 97 3HB TRP 97 -0.728 -5.437 -2.141 250 HD1 TRP 97 1HD TRP 97 1.637 -6.341 -5.011 251 HE1 TRP 97 1HE TRP 97 0.805 -5.194 -7.160 252 HE3 TRP 97 3HE TRP 97 -2.091 -3.478 -3.012 253 HZ2 TRP 97 2HZ TRP 97 -1.169 -3.319 -7.906 254 HZ3 TRP 97 3HZ TRP 97 -3.401 -2.034 -4.503 255 HH2 TRP 97 2HH TRP 97 -2.947 -1.952 -6.901 256 H TRP 98 HN TRP 98 0.918 -2.741 -0.274 257 HA TRP 98 HA TRP 98 1.112 -4.364 2.137 258 1HB TRP 98 2HB TRP 98 1.105 -1.391 1.672 259 2HB TRP 98 3HB TRP 98 1.023 -2.100 3.277 260 HD1 TRP 98 1HD TRP 98 3.204 -4.252 1.291 261 HE1 TRP 98 1HE TRP 98 5.682 -3.731 1.760 262 HE3 TRP 98 3HE TRP 98 2.629 0.197 3.691 263 HZ2 TRP 98 2HZ TRP 98 7.195 -1.670 2.981 264 HZ3 TRP 98 3HZ TRP 98 4.629 1.399 4.478 265 HH2 TRP 98 2HH TRP 98 6.868 0.478 4.132 266 H LYS 99 HN LYS 99 -0.465 -4.695 3.578 267 HA LYS 99 HA LYS 99 -3.189 -4.108 2.780 268 1HB LYS 99 2HB LYS 99 -2.727 -6.334 3.639 269 2HB LYS 99 3HB LYS 99 -2.026 -5.661 5.100 270 1HG LYS 99 2HG LYS 99 -4.430 -6.615 5.159 271 2HG LYS 99 3HG LYS 99 -4.071 -5.103 5.997 272 1HD LYS 99 2HD LYS 99 -5.089 -3.810 4.381 273 2HD LYS 99 3HD LYS 99 -5.055 -5.101 3.177 274 1HE LYS 99 2HE LYS 99 -6.523 -5.964 5.483 275 2HE LYS 99 3HE LYS 99 -7.148 -4.414 4.930 276 1HZ LYS 99 1HZ LYS 99 -7.385 -7.003 3.734 277 2HZ LYS 99 2HZ LYS 99 -6.831 -5.843 2.636 278 3HZ LYS 99 3HZ LYS 99 -8.291 -5.601 3.455 279 H ALA 100 HN ALA 100 -4.010 -2.162 3.316 280 HA ALA 100 HA ALA 100 -3.207 -1.023 5.915 281 1HB ALA 100 1HB ALA 100 -2.574 0.137 3.626 282 2HB ALA 100 2HB ALA 100 -4.218 0.771 3.772 283 3HB ALA 100 3HB ALA 100 -3.036 1.074 5.049 284 H GLN 101 HN GLN 101 -4.737 -0.135 7.221 285 HA GLN 101 HA GLN 101 -7.518 -0.612 6.396 286 1HB GLN 101 2HB GLN 101 -7.010 -1.914 8.346 287 2HB GLN 101 3HB GLN 101 -6.276 -0.544 9.154 288 1HG GLN 101 2HG GLN 101 -8.553 0.523 8.977 289 2HG GLN 101 3HG GLN 101 -9.171 -1.060 8.576 290 1HE2 GLN 101 1HE2 GLN 101 -7.567 0.853 11.030 291 2HE2 GLN 101 2HE2 GLN 101 -7.982 -0.159 12.367 292 H SER 102 HN SER 102 -8.387 1.195 5.706 293 HA SER 102 HA SER 102 -7.429 3.744 5.978 294 1HB SER 102 2HB SER 102 -9.841 2.460 5.062 295 2HB SER 102 3HB SER 102 -10.205 3.972 5.853 296 HG SER 102 HG SER 102 -9.782 4.542 3.796 297 H LEU 103 HN LEU 103 -8.558 5.577 7.148 298 HA LEU 103 HA LEU 103 -9.286 4.701 9.864 299 1HB LEU 103 2HB LEU 103 -7.391 6.852 9.011 300 2HB LEU 103 3HB LEU 103 -8.114 6.830 10.605 301 HG LEU 103 HG LEU 103 -7.193 4.270 10.405 302 1HD1 LEU 103 1HD1 LEU 103 -6.075 4.484 8.373 303 2HD1 LEU 103 2HD1 LEU 103 -5.394 6.051 8.811 304 3HD1 LEU 103 3HD1 LEU 103 -4.812 4.584 9.600 305 1HD2 LEU 103 1HD2 LEU 103 -5.706 4.802 12.072 306 2HD2 LEU 103 2HD2 LEU 103 -5.322 6.382 11.378 307 3HD2 LEU 103 3HD2 LEU 103 -6.868 6.129 12.191 308 H THR 104 HN THR 104 -9.933 6.817 7.231 309 HA THR 104 HA THR 104 -11.752 8.494 8.722 310 HB THR 104 HB THR 104 -11.651 8.299 5.729 311 HG1 THR 104 1HG THR 104 -9.743 9.573 7.394 312 1HG2 THR 104 1HG2 THR 104 -13.216 9.855 6.417 313 2HG2 THR 104 2HG2 THR 104 -11.783 10.809 6.031 314 3HG2 THR 104 3HG2 THR 104 -12.181 10.455 7.713 315 H THR 105 HN THR 105 -11.785 5.881 6.435 316 HA THR 105 HA THR 105 -14.680 5.466 6.749 317 HB THR 105 HB THR 105 -14.692 4.652 4.624 318 HG1 THR 105 1HG THR 105 -11.962 3.969 4.804 319 1HG2 THR 105 1HG2 THR 105 -13.152 5.818 3.121 320 2HG2 THR 105 2HG2 THR 105 -12.209 6.320 4.526 321 3HG2 THR 105 3HG2 THR 105 -13.865 6.894 4.324 322 H GLY 106 HN GLY 106 -11.542 4.094 6.884 323 1HA GLY 106 1HA GLY 106 -10.646 2.438 8.114 324 2HA GLY 106 2HA GLY 106 -12.225 2.059 8.743 325 H GLN 107 HN GLN 107 -12.526 2.147 5.456 326 HA GLN 107 HA GLN 107 -13.018 -0.509 5.102 327 1HB GLN 107 2HB GLN 107 -12.358 1.746 3.329 328 2HB GLN 107 3HB GLN 107 -12.377 0.135 2.635 329 1HG GLN 107 2HG GLN 107 -14.558 0.445 2.389 330 2HG GLN 107 3HG GLN 107 -14.642 0.167 4.127 331 1HE2 GLN 107 1HE2 GLN 107 -15.908 1.575 5.074 332 2HE2 GLN 107 2HE2 GLN 107 -16.059 3.250 4.679 333 H GLU 108 HN GLU 108 -11.820 -2.228 5.141 334 HA GLU 108 HA GLU 108 -8.928 -1.985 5.097 335 1HB GLU 108 2HB GLU 108 -10.637 -4.428 5.543 336 2HB GLU 108 3HB GLU 108 -8.914 -4.308 5.818 337 1HG GLU 108 2HG GLU 108 -9.212 -3.480 7.832 338 2HG GLU 108 3HG GLU 108 -10.322 -2.247 7.243 339 H GLY 109 HN GLY 109 -7.543 -2.944 3.655 340 1HA GLY 109 1HA GLY 109 -8.169 -4.785 1.671 341 2HA GLY 109 2HA GLY 109 -8.450 -3.196 0.981 342 H PHE 110 HN PHE 110 -6.644 -4.502 -0.326 343 HA PHE 110 HA PHE 110 -3.995 -4.113 0.757 344 1HB PHE 110 2HB PHE 110 -5.210 -5.495 -1.561 345 2HB PHE 110 3HB PHE 110 -3.585 -4.880 -1.793 346 HD1 PHE 110 1HD PHE 110 -2.182 -6.721 -1.761 347 HD2 PHE 110 2HD PHE 110 -5.202 -6.350 1.214 348 HE1 PHE 110 1HE PHE 110 -1.278 -8.696 -0.604 349 HE2 PHE 110 2HE PHE 110 -4.303 -8.324 2.377 350 HZ PHE 110 HZ PHE 110 -2.339 -9.499 1.467 351 H ILE 111 HN ILE 111 -2.416 -2.739 -0.175 352 HA ILE 111 HA ILE 111 -3.346 -0.797 -2.153 353 HB ILE 111 HB ILE 111 -2.617 1.119 -0.843 354 1HG1 ILE 111 2HG1 ILE 111 -2.405 -0.490 1.655 355 2HG1 ILE 111 3HG1 ILE 111 -1.056 -0.548 0.532 356 1HG2 ILE 111 1HG2 ILE 111 -4.484 1.292 0.535 357 2HG2 ILE 111 2HG2 ILE 111 -4.965 0.105 -0.675 358 3HG2 ILE 111 3HG2 ILE 111 -4.473 -0.427 0.933 359 1HD1 ILE 111 1HD1 ILE 111 -0.332 1.445 1.148 360 2HD1 ILE 111 2HD1 ILE 111 -1.939 2.159 1.004 361 3HD1 ILE 111 3HD1 ILE 111 -1.469 1.333 2.491 362 HA PRO 112 HA PRO 112 0.637 -1.175 -3.949 363 1HB PRO 112 2HB PRO 112 0.908 1.564 -4.576 364 2HB PRO 112 3HB PRO 112 0.258 0.304 -5.624 365 1HG PRO 112 2HG PRO 112 -1.174 2.298 -3.981 366 2HG PRO 112 3HG PRO 112 -1.665 1.509 -5.474 367 1HD PRO 112 2HD PRO 112 -2.700 0.870 -3.067 368 2HD PRO 112 3HD PRO 112 -2.532 -0.300 -4.383 369 H PHE 113 HN PHE 113 2.255 -1.534 -2.516 370 HA PHE 113 HA PHE 113 2.802 -0.195 -0.193 371 1HB PHE 113 2HB PHE 113 4.837 -1.348 -0.090 372 2HB PHE 113 3HB PHE 113 3.814 -2.377 -1.085 373 HD1 PHE 113 1HD PHE 113 3.993 -1.053 -3.703 374 HD2 PHE 113 2HD PHE 113 6.998 -1.771 -0.777 375 HE1 PHE 113 1HE PHE 113 5.710 -1.023 -5.465 376 HE2 PHE 113 2HE PHE 113 8.720 -1.745 -2.533 377 HZ PHE 113 HZ PHE 113 8.076 -1.371 -4.881 378 H ASN 114 HN ASN 114 3.587 0.835 -3.415 379 HA ASN 114 HA ASN 114 5.335 2.945 -2.379 380 1HB ASN 114 2HB ASN 114 5.721 3.385 -4.857 381 2HB ASN 114 3HB ASN 114 6.324 1.854 -4.233 382 1HD2 ASN 114 1HD2 ASN 114 6.298 1.185 -6.462 383 2HD2 ASN 114 2HD2 ASN 114 4.826 0.617 -7.166 384 H PHE 115 HN PHE 115 2.457 2.984 -1.926 385 HA PHE 115 HA PHE 115 1.781 5.437 -3.419 386 1HB PHE 115 2HB PHE 115 0.380 2.998 -3.319 387 2HB PHE 115 3HB PHE 115 -0.546 4.130 -2.350 388 HD1 PHE 115 1HD PHE 115 -2.311 4.938 -3.514 389 HD2 PHE 115 2HD PHE 115 1.403 4.452 -5.522 390 HE1 PHE 115 1HE PHE 115 -3.292 5.901 -5.537 391 HE2 PHE 115 2HE PHE 115 0.428 5.420 -7.563 392 HZ PHE 115 HZ PHE 115 -1.927 6.151 -7.575 393 H VAL 116 HN VAL 116 2.945 4.728 -0.559 394 HA VAL 116 HA VAL 116 1.381 6.804 0.745 395 HB VAL 116 HB VAL 116 1.103 5.443 2.813 396 1HG1 VAL 116 1HG1 VAL 116 -0.604 5.802 0.882 397 2HG1 VAL 116 2HG1 VAL 116 -0.363 4.077 0.605 398 3HG1 VAL 116 3HG1 VAL 116 -0.956 4.644 2.166 399 1HG2 VAL 116 1HG2 VAL 116 2.414 3.441 1.106 400 2HG2 VAL 116 2HG2 VAL 116 2.370 3.578 2.865 401 3HG2 VAL 116 3HG2 VAL 116 1.011 2.858 2.001 402 H ALA 117 HN ALA 117 2.331 7.777 2.503 403 HA ALA 117 HA ALA 117 5.047 6.983 3.244 404 1HB ALA 117 1HB ALA 117 5.846 8.606 1.897 405 2HB ALA 117 2HB ALA 117 4.286 9.420 1.784 406 3HB ALA 117 3HB ALA 117 5.320 9.687 3.187 407 H LYS 118 HN LYS 118 5.526 7.403 5.379 408 HA LYS 118 HA LYS 118 3.665 7.440 7.313 409 1HB LYS 118 2HB LYS 118 6.349 8.820 7.427 410 2HB LYS 118 3HB LYS 118 5.366 8.440 8.834 411 1HG LYS 118 2HG LYS 118 6.712 6.530 6.947 412 2HG LYS 118 3HG LYS 118 7.002 6.749 8.675 413 1HD LYS 118 2HD LYS 118 4.733 5.930 9.140 414 2HD LYS 118 3HD LYS 118 4.480 5.679 7.414 415 1HE LYS 118 2HE LYS 118 5.951 3.897 7.322 416 2HE LYS 118 3HE LYS 118 6.819 4.407 8.769 417 1HZ LYS 118 1HZ LYS 118 5.423 2.425 9.113 418 2HZ LYS 118 2HZ LYS 118 4.047 3.344 8.764 419 3HZ LYS 118 3HZ LYS 118 4.986 3.711 10.121 420 H ALA 119 HN ALA 119 2.409 8.836 8.442 421 HA ALA 119 HA ALA 119 1.708 11.314 7.227 422 1HB ALA 119 1HB ALA 119 0.426 11.557 9.520 423 2HB ALA 119 2HB ALA 119 -0.119 10.419 8.290 424 3HB ALA 119 3HB ALA 119 0.825 9.847 9.670 425 H ASN 120 HN ASN 120 4.289 11.712 7.554 426 HA ASN 120 HA ASN 120 4.402 13.936 9.374 427 1HB ASN 120 2HB ASN 120 5.150 11.558 10.478 428 2HB ASN 120 3HB ASN 120 6.689 12.134 9.843 429 1HD2 ASN 120 1HD2 ASN 120 7.731 13.747 10.860 430 2HD2 ASN 120 2HD2 ASN 120 7.151 14.543 12.280 Start of MODEL 19 1 H ASN 64 HN ASN 64 1.317 2.921 12.856 2 HA ASN 64 HA ASN 64 3.477 2.192 11.157 3 1HB ASN 64 2HB ASN 64 1.402 0.121 11.789 4 2HB ASN 64 3HB ASN 64 2.057 0.210 10.162 5 1HD2 ASN 64 1HD2 ASN 64 2.326 -1.977 11.917 6 2HD2 ASN 64 2HD2 ASN 64 4.007 -2.180 12.256 7 H LEU 65 HN LEU 65 1.334 4.215 11.589 8 HA LEU 65 HA LEU 65 -0.405 3.871 9.327 9 1HB LEU 65 2HB LEU 65 -1.419 4.943 11.126 10 2HB LEU 65 3HB LEU 65 -0.094 6.052 11.355 11 HG LEU 65 HG LEU 65 -0.688 7.143 9.251 12 1HD1 LEU 65 1HD1 LEU 65 -2.266 4.798 8.928 13 2HD1 LEU 65 2HD1 LEU 65 -3.300 6.222 8.822 14 3HD1 LEU 65 3HD1 LEU 65 -1.903 6.064 7.753 15 1HD2 LEU 65 1HD2 LEU 65 -2.801 8.171 10.017 16 2HD2 LEU 65 2HD2 LEU 65 -2.936 6.908 11.240 17 3HD2 LEU 65 3HD2 LEU 65 -1.595 8.051 11.300 18 H VAL 66 HN VAL 66 -0.426 4.918 7.504 19 HA VAL 66 HA VAL 66 1.890 6.606 6.814 20 HB VAL 66 HB VAL 66 1.547 5.635 4.496 21 1HG1 VAL 66 1HG1 VAL 66 2.723 4.157 6.811 22 2HG1 VAL 66 2HG1 VAL 66 2.842 3.512 5.173 23 3HG1 VAL 66 3HG1 VAL 66 3.544 5.084 5.554 24 1HG2 VAL 66 1HG2 VAL 66 0.175 3.477 6.079 25 2HG2 VAL 66 2HG2 VAL 66 -0.606 4.559 4.926 26 3HG2 VAL 66 3HG2 VAL 66 0.598 3.398 4.369 27 H ILE 67 HN ILE 67 1.367 7.523 4.459 28 HA ILE 67 HA ILE 67 -1.381 8.420 4.283 29 HB ILE 67 HB ILE 67 0.740 10.127 5.275 30 1HG1 ILE 67 2HG1 ILE 67 -2.231 10.317 4.890 31 2HG1 ILE 67 3HG1 ILE 67 -1.371 9.930 6.350 32 1HG2 ILE 67 1HG2 ILE 67 -0.720 11.065 2.807 33 2HG2 ILE 67 2HG2 ILE 67 0.151 12.121 3.917 34 3HG2 ILE 67 3HG2 ILE 67 1.024 10.890 3.004 35 1HD1 ILE 67 1HD1 ILE 67 -0.548 12.501 5.452 36 2HD1 ILE 67 2HD1 ILE 67 -2.312 12.425 5.492 37 3HD1 ILE 67 3HD1 ILE 67 -1.379 12.056 6.943 38 H ALA 68 HN ALA 68 -2.054 8.377 2.295 39 HA ALA 68 HA ALA 68 -0.502 7.498 0.159 40 1HB ALA 68 1HB ALA 68 -2.797 9.075 -0.686 41 2HB ALA 68 2HB ALA 68 -2.440 7.367 -0.924 42 3HB ALA 68 3HB ALA 68 -3.178 7.911 0.582 43 H LEU 69 HN LEU 69 0.285 8.494 -1.699 44 HA LEU 69 HA LEU 69 1.064 11.289 -1.298 45 1HB LEU 69 2HB LEU 69 2.186 9.085 -3.018 46 2HB LEU 69 3HB LEU 69 2.712 10.754 -3.151 47 HG LEU 69 HG LEU 69 3.016 8.936 -0.759 48 1HD1 LEU 69 1HD1 LEU 69 4.944 10.137 -2.730 49 2HD1 LEU 69 2HD1 LEU 69 5.453 9.536 -1.153 50 3HD1 LEU 69 3HD1 LEU 69 4.708 8.438 -2.315 51 1HD2 LEU 69 1HD2 LEU 69 2.731 10.877 0.376 52 2HD2 LEU 69 2HD2 LEU 69 4.424 11.092 -0.067 53 3HD2 LEU 69 3HD2 LEU 69 3.159 11.881 -1.009 54 H HIS 70 HN HIS 70 -0.829 9.228 -3.333 55 HA HIS 70 HA HIS 70 -1.753 11.562 -4.807 56 1HB HIS 70 2HB HIS 70 -1.712 9.860 -6.886 57 2HB HIS 70 3HB HIS 70 -0.410 10.985 -6.543 58 HD1 HIS 70 1HD HIS 70 -0.950 7.561 -7.307 59 HD2 HIS 70 2HD HIS 70 1.679 9.630 -4.849 60 HE1 HIS 70 1HE HIS 70 0.945 5.968 -6.862 61 HE2 HIS 70 2HE HIS 70 2.471 7.206 -5.285 62 H SER 71 HN SER 71 -3.529 10.592 -6.493 63 HA SER 71 HA SER 71 -5.533 9.451 -4.760 64 1HB SER 71 2HB SER 71 -6.087 9.779 -7.659 65 2HB SER 71 3HB SER 71 -7.070 10.229 -6.266 66 HG SER 71 HG SER 71 -5.634 11.826 -7.730 67 H TYR 72 HN TYR 72 -6.020 7.365 -4.590 68 HA TYR 72 HA TYR 72 -4.873 5.521 -6.579 69 1HB TYR 72 2HB TYR 72 -4.218 5.203 -4.194 70 2HB TYR 72 3HB TYR 72 -5.898 4.849 -3.820 71 HD1 TYR 72 1HD TYR 72 -3.746 3.770 -6.675 72 HD2 TYR 72 2HD TYR 72 -6.030 2.598 -3.286 73 HE1 TYR 72 1HE TYR 72 -3.391 1.410 -7.258 74 HE2 TYR 72 2HE TYR 72 -5.676 0.235 -3.856 75 HH TYR 72 HH TYR 72 -5.157 -1.110 -5.873 76 H GLU 73 HN GLU 73 -6.035 3.872 -7.495 77 HA GLU 73 HA GLU 73 -8.918 3.800 -7.062 78 1HB GLU 73 2HB GLU 73 -7.606 4.826 -9.346 79 2HB GLU 73 3HB GLU 73 -8.423 3.349 -9.808 80 1HG GLU 73 2HG GLU 73 -10.521 4.197 -9.108 81 2HG GLU 73 3HG GLU 73 -9.756 5.567 -8.303 82 HA PRO 74 HA PRO 74 -7.301 -0.413 -6.312 83 1HB PRO 74 2HB PRO 74 -10.079 -1.127 -6.102 84 2HB PRO 74 3HB PRO 74 -8.878 -0.997 -4.817 85 1HG PRO 74 2HG PRO 74 -10.906 0.953 -5.693 86 2HG PRO 74 3HG PRO 74 -10.090 0.799 -4.128 87 1HD PRO 74 2HD PRO 74 -9.521 2.808 -5.847 88 2HD PRO 74 3HD PRO 74 -8.275 2.070 -4.814 89 H SER 75 HN SER 75 -6.634 -1.421 -8.088 90 HA SER 75 HA SER 75 -8.595 -1.995 -10.209 91 1HB SER 75 2HB SER 75 -5.680 -2.285 -10.740 92 2HB SER 75 3HB SER 75 -6.969 -1.727 -11.806 93 HG SER 75 HG SER 75 -5.624 -0.297 -9.773 94 H HIS 76 HN HIS 76 -6.239 -3.318 -8.011 95 HA HIS 76 HA HIS 76 -6.373 -5.978 -9.142 96 1HB HIS 76 2HB HIS 76 -4.878 -4.678 -6.903 97 2HB HIS 76 3HB HIS 76 -5.069 -6.428 -6.878 98 HD1 HIS 76 1HD HIS 76 -3.289 -7.670 -8.058 99 HD2 HIS 76 2HD HIS 76 -3.688 -3.797 -9.508 100 HE1 HIS 76 1HE HIS 76 -1.462 -7.400 -9.765 101 HE2 HIS 76 2HE HIS 76 -1.664 -5.016 -10.557 102 H ASP 77 HN ASP 77 -6.799 -7.828 -7.542 103 HA ASP 77 HA ASP 77 -9.461 -7.460 -6.499 104 1HB ASP 77 2HB ASP 77 -8.216 -9.574 -7.648 105 2HB ASP 77 3HB ASP 77 -8.033 -9.993 -5.947 106 H GLY 78 HN GLY 78 -10.123 -7.534 -4.373 107 1HA GLY 78 1HA GLY 78 -9.963 -7.267 -2.092 108 2HA GLY 78 2HA GLY 78 -8.546 -8.300 -2.183 109 H ASP 79 HN ASP 79 -9.046 -5.112 -3.646 110 HA ASP 79 HA ASP 79 -6.727 -4.163 -2.108 111 1HB ASP 79 2HB ASP 79 -7.801 -3.302 -4.792 112 2HB ASP 79 3HB ASP 79 -6.525 -2.444 -3.934 113 H LEU 80 HN LEU 80 -6.712 -1.981 -1.380 114 HA LEU 80 HA LEU 80 -9.402 -0.954 -0.779 115 1HB LEU 80 2HB LEU 80 -8.495 -1.397 1.295 116 2HB LEU 80 3HB LEU 80 -6.859 -1.062 0.775 117 HG LEU 80 HG LEU 80 -7.523 1.387 0.718 118 1HD1 LEU 80 1HD1 LEU 80 -9.459 1.653 2.542 119 2HD1 LEU 80 2HD1 LEU 80 -9.773 1.636 0.806 120 3HD1 LEU 80 3HD1 LEU 80 -10.008 0.170 1.759 121 1HD2 LEU 80 1HD2 LEU 80 -7.581 -0.060 3.360 122 2HD2 LEU 80 2HD2 LEU 80 -6.134 0.424 2.474 123 3HD2 LEU 80 3HD2 LEU 80 -7.221 1.650 3.128 124 H GLY 81 HN GLY 81 -9.949 1.007 -1.525 125 1HA GLY 81 1HA GLY 81 -7.914 2.501 -3.001 126 2HA GLY 81 2HA GLY 81 -9.647 2.723 -3.138 127 H PHE 82 HN PHE 82 -7.482 4.669 -2.675 128 HA PHE 82 HA PHE 82 -8.726 6.006 -0.413 129 1HB PHE 82 2HB PHE 82 -6.316 6.626 0.358 130 2HB PHE 82 3HB PHE 82 -7.010 5.085 0.838 131 HD1 PHE 82 1HD PHE 82 -6.449 3.053 -0.681 132 HD2 PHE 82 2HD PHE 82 -4.251 6.690 -0.654 133 HE1 PHE 82 1HE PHE 82 -4.520 1.891 -1.673 134 HE2 PHE 82 2HE PHE 82 -2.309 5.530 -1.641 135 HZ PHE 82 HZ PHE 82 -2.448 3.128 -2.149 136 H GLU 83 HN GLU 83 -7.526 8.235 -0.137 137 HA GLU 83 HA GLU 83 -7.345 9.371 -2.844 138 1HB GLU 83 2HB GLU 83 -8.696 10.174 -0.396 139 2HB GLU 83 3HB GLU 83 -7.704 11.464 -1.054 140 1HG GLU 83 2HG GLU 83 -9.012 10.469 -3.263 141 2HG GLU 83 3HG GLU 83 -10.225 10.388 -1.988 142 H LYS 84 HN LYS 84 -6.065 11.546 -2.778 143 HA LYS 84 HA LYS 84 -3.384 10.890 -2.017 144 1HB LYS 84 2HB LYS 84 -3.481 12.115 -3.988 145 2HB LYS 84 3HB LYS 84 -4.715 13.197 -3.375 146 1HG LYS 84 2HG LYS 84 -2.804 13.964 -1.751 147 2HG LYS 84 3HG LYS 84 -1.760 13.263 -2.986 148 1HD LYS 84 2HD LYS 84 -3.933 15.166 -3.755 149 2HD LYS 84 3HD LYS 84 -2.405 15.778 -3.119 150 1HE LYS 84 2HE LYS 84 -1.404 14.121 -4.918 151 2HE LYS 84 3HE LYS 84 -2.978 14.365 -5.675 152 1HZ LYS 84 1HZ LYS 84 -1.122 15.926 -6.348 153 2HZ LYS 84 2HZ LYS 84 -1.286 16.636 -4.821 154 3HZ LYS 84 3HZ LYS 84 -2.587 16.646 -5.902 155 H GLY 85 HN GLY 85 -2.353 11.393 -0.187 156 1HA GLY 85 1HA GLY 85 -1.843 12.554 1.779 157 2HA GLY 85 2HA GLY 85 -3.222 13.615 1.481 158 H GLU 86 HN GLU 86 -4.612 10.791 1.012 159 HA GLU 86 HA GLU 86 -6.030 10.694 3.404 160 1HB GLU 86 2HB GLU 86 -6.272 9.513 0.972 161 2HB GLU 86 3HB GLU 86 -5.684 8.160 1.918 162 1HG GLU 86 2HG GLU 86 -8.302 9.051 1.648 163 2HG GLU 86 3HG GLU 86 -7.699 7.785 2.696 164 H GLN 87 HN GLN 87 -6.078 8.786 4.888 165 HA GLN 87 HA GLN 87 -3.351 7.813 5.396 166 1HB GLN 87 2HB GLN 87 -5.312 8.402 7.593 167 2HB GLN 87 3HB GLN 87 -3.589 8.104 7.724 168 1HG GLN 87 2HG GLN 87 -3.037 10.219 7.255 169 2HG GLN 87 3HG GLN 87 -4.320 10.399 6.063 170 1HE2 GLN 87 1HE2 GLN 87 -4.055 9.855 9.563 171 2HE2 GLN 87 2HE2 GLN 87 -5.224 11.046 10.010 172 H LEU 88 HN LEU 88 -3.111 5.811 6.221 173 HA LEU 88 HA LEU 88 -5.434 4.096 6.619 174 1HB LEU 88 2HB LEU 88 -3.324 2.952 4.888 175 2HB LEU 88 3HB LEU 88 -5.038 2.601 4.946 176 HG LEU 88 HG LEU 88 -4.454 5.276 3.917 177 1HD1 LEU 88 1HD1 LEU 88 -3.802 3.160 1.971 178 2HD1 LEU 88 2HD1 LEU 88 -3.188 4.808 2.110 179 3HD1 LEU 88 3HD1 LEU 88 -2.562 3.541 3.168 180 1HD2 LEU 88 1HD2 LEU 88 -5.897 2.995 2.608 181 2HD2 LEU 88 2HD2 LEU 88 -6.629 3.953 3.903 182 3HD2 LEU 88 3HD2 LEU 88 -6.150 4.731 2.390 183 H ARG 89 HN ARG 89 -5.089 2.790 8.261 184 HA ARG 89 HA ARG 89 -2.503 2.725 9.496 185 1HB ARG 89 2HB ARG 89 -4.327 2.888 10.989 186 2HB ARG 89 3HB ARG 89 -5.202 1.586 10.194 187 1HG ARG 89 2HG ARG 89 -3.631 -0.021 10.999 188 2HG ARG 89 3HG ARG 89 -2.627 1.252 11.679 189 1HD ARG 89 2HD ARG 89 -4.741 1.903 12.987 190 2HD ARG 89 3HD ARG 89 -5.307 0.291 12.588 191 HE ARG 89 HE ARG 89 -2.676 0.410 13.776 192 1HH1 ARG 89 2HH1 ARG 89 -6.104 0.089 14.359 193 2HH1 ARG 89 1HH1 ARG 89 -5.897 -0.685 15.895 194 1HH2 ARG 89 2HH2 ARG 89 -2.404 -0.608 15.796 195 2HH2 ARG 89 1HH2 ARG 89 -3.797 -1.078 16.711 196 H ILE 90 HN ILE 90 -1.068 1.522 8.485 197 HA ILE 90 HA ILE 90 -1.558 -0.660 6.840 198 HB ILE 90 HB ILE 90 1.010 -0.191 8.355 199 1HG1 ILE 90 2HG1 ILE 90 0.214 1.851 7.201 200 2HG1 ILE 90 3HG1 ILE 90 1.705 1.237 6.524 201 1HG2 ILE 90 1HG2 ILE 90 1.216 -1.096 5.622 202 2HG2 ILE 90 2HG2 ILE 90 1.902 -1.790 7.093 203 3HG2 ILE 90 3HG2 ILE 90 0.261 -2.210 6.600 204 1HD1 ILE 90 1HD1 ILE 90 0.719 1.411 4.547 205 2HD1 ILE 90 2HD1 ILE 90 -0.261 0.022 5.016 206 3HD1 ILE 90 3HD1 ILE 90 -0.867 1.658 5.278 207 H LEU 91 HN LEU 91 -2.406 -2.486 7.317 208 HA LEU 91 HA LEU 91 -2.288 -3.663 9.947 209 1HB LEU 91 2HB LEU 91 -3.307 -4.895 7.390 210 2HB LEU 91 3HB LEU 91 -3.753 -5.319 9.033 211 HG LEU 91 HG LEU 91 -4.414 -2.733 7.623 212 1HD1 LEU 91 1HD1 LEU 91 -6.789 -3.617 8.002 213 2HD1 LEU 91 2HD1 LEU 91 -5.834 -4.273 6.672 214 3HD1 LEU 91 3HD1 LEU 91 -6.010 -5.195 8.165 215 1HD2 LEU 91 1HD2 LEU 91 -4.620 -1.891 9.674 216 2HD2 LEU 91 2HD2 LEU 91 -6.019 -2.948 9.861 217 3HD2 LEU 91 3HD2 LEU 91 -4.434 -3.475 10.426 218 H GLU 92 HN GLU 92 -1.136 -4.349 6.700 219 HA GLU 92 HA GLU 92 1.147 -5.761 7.800 220 1HB GLU 92 2HB GLU 92 -1.036 -7.129 6.593 221 2HB GLU 92 3HB GLU 92 0.345 -7.230 5.506 222 1HG GLU 92 2HG GLU 92 1.184 -8.839 6.757 223 2HG GLU 92 3HG GLU 92 1.335 -7.679 8.081 224 H GLN 93 HN GLN 93 2.974 -5.369 6.711 225 HA GLN 93 HA GLN 93 2.728 -3.898 4.187 226 1HB GLN 93 2HB GLN 93 5.032 -2.944 5.036 227 2HB GLN 93 3HB GLN 93 3.510 -2.246 5.559 228 1HG GLN 93 2HG GLN 93 3.596 -3.692 7.543 229 2HG GLN 93 3HG GLN 93 5.171 -4.226 7.011 230 1HE2 GLN 93 1HE2 GLN 93 3.699 -1.014 7.060 231 2HE2 GLN 93 2HE2 GLN 93 4.918 -0.276 8.034 232 H SER 94 HN SER 94 2.974 -6.698 4.365 233 HA SER 94 HA SER 94 5.747 -7.234 3.611 234 1HB SER 94 2HB SER 94 4.227 -9.594 3.391 235 2HB SER 94 3HB SER 94 5.359 -9.171 4.672 236 HG SER 94 HG SER 94 3.608 -8.171 5.766 237 H GLY 95 HN GLY 95 6.322 -7.244 1.549 238 1HA GLY 95 1HA GLY 95 6.145 -7.846 -0.726 239 2HA GLY 95 2HA GLY 95 4.432 -8.133 -0.487 240 H GLU 96 HN GLU 96 5.520 -6.794 -2.648 241 HA GLU 96 HA GLU 96 5.678 -4.059 -2.604 242 1HB GLU 96 2HB GLU 96 6.116 -4.814 -4.688 243 2HB GLU 96 3HB GLU 96 4.926 -6.104 -4.575 244 1HG GLU 96 2HG GLU 96 3.167 -4.619 -5.029 245 2HG GLU 96 3HG GLU 96 4.241 -3.224 -4.969 246 H TRP 97 HN TRP 97 2.894 -5.990 -1.956 247 HA TRP 97 HA TRP 97 1.194 -3.593 -2.100 248 1HB TRP 97 2HB TRP 97 0.581 -6.514 -2.461 249 2HB TRP 97 3HB TRP 97 -0.685 -5.359 -2.062 250 HD1 TRP 97 1HD TRP 97 1.709 -6.313 -4.892 251 HE1 TRP 97 1HE TRP 97 0.914 -5.183 -7.064 252 HE3 TRP 97 3HE TRP 97 -2.018 -3.394 -2.972 253 HZ2 TRP 97 2HZ TRP 97 -1.034 -3.299 -7.856 254 HZ3 TRP 97 3HZ TRP 97 -3.296 -1.956 -4.495 255 HH2 TRP 97 2HH TRP 97 -2.813 -1.906 -6.888 256 H TRP 98 HN TRP 98 0.848 -2.705 -0.172 257 HA TRP 98 HA TRP 98 1.079 -4.346 2.230 258 1HB TRP 98 2HB TRP 98 1.039 -1.368 1.796 259 2HB TRP 98 3HB TRP 98 0.968 -2.100 3.392 260 HD1 TRP 98 1HD TRP 98 3.170 -4.198 1.373 261 HE1 TRP 98 1HE TRP 98 5.643 -3.661 1.847 262 HE3 TRP 98 3HE TRP 98 2.557 0.205 3.848 263 HZ2 TRP 98 2HZ TRP 98 7.138 -1.604 3.098 264 HZ3 TRP 98 3HZ TRP 98 4.544 1.415 4.647 265 HH2 TRP 98 2HH TRP 98 6.792 0.523 4.284 266 H LYS 99 HN LYS 99 -0.495 -4.683 3.675 267 HA LYS 99 HA LYS 99 -3.224 -4.118 2.867 268 1HB LYS 99 2HB LYS 99 -2.727 -6.346 3.731 269 2HB LYS 99 3HB LYS 99 -2.073 -5.654 5.205 270 1HG LYS 99 2HG LYS 99 -4.461 -6.650 5.210 271 2HG LYS 99 3HG LYS 99 -4.148 -5.131 6.051 272 1HD LYS 99 2HD LYS 99 -5.157 -3.862 4.418 273 2HD LYS 99 3HD LYS 99 -5.059 -5.143 3.208 274 1HE LYS 99 2HE LYS 99 -6.570 -6.065 5.459 275 2HE LYS 99 3HE LYS 99 -7.213 -4.518 4.915 276 1HZ LYS 99 1HZ LYS 99 -8.310 -5.745 3.426 277 2HZ LYS 99 2HZ LYS 99 -7.316 -7.096 3.643 278 3HZ LYS 99 3HZ LYS 99 -6.837 -5.856 2.599 279 H ALA 100 HN ALA 100 -4.067 -2.184 3.416 280 HA ALA 100 HA ALA 100 -3.249 -1.040 6.008 281 1HB ALA 100 1HB ALA 100 -2.648 0.109 3.691 282 2HB ALA 100 2HB ALA 100 -4.275 0.767 3.892 283 3HB ALA 100 3HB ALA 100 -3.052 1.043 5.134 284 H GLN 101 HN GLN 101 -4.768 -0.148 7.323 285 HA GLN 101 HA GLN 101 -7.554 -0.642 6.526 286 1HB GLN 101 2HB GLN 101 -7.019 -1.898 8.501 287 2HB GLN 101 3HB GLN 101 -6.290 -0.504 9.272 288 1HG GLN 101 2HG GLN 101 -8.579 0.538 9.084 289 2HG GLN 101 3HG GLN 101 -9.185 -1.061 8.730 290 1HE2 GLN 101 1HE2 GLN 101 -7.605 0.946 11.119 291 2HE2 GLN 101 2HE2 GLN 101 -7.984 -0.039 12.486 292 H SER 102 HN SER 102 -8.445 1.147 5.809 293 HA SER 102 HA SER 102 -7.495 3.708 6.024 294 1HB SER 102 2HB SER 102 -9.903 2.392 5.142 295 2HB SER 102 3HB SER 102 -10.275 3.913 5.907 296 HG SER 102 HG SER 102 -9.466 4.934 4.266 297 H LEU 103 HN LEU 103 -8.573 5.561 7.192 298 HA LEU 103 HA LEU 103 -9.302 4.711 9.918 299 1HB LEU 103 2HB LEU 103 -7.399 6.839 9.031 300 2HB LEU 103 3HB LEU 103 -8.121 6.849 10.628 301 HG LEU 103 HG LEU 103 -7.220 4.284 10.482 302 1HD1 LEU 103 1HD1 LEU 103 -5.408 6.006 8.837 303 2HD1 LEU 103 2HD1 LEU 103 -4.849 4.541 9.647 304 3HD1 LEU 103 3HD1 LEU 103 -6.123 4.446 8.430 305 1HD2 LEU 103 1HD2 LEU 103 -5.328 6.411 11.385 306 2HD2 LEU 103 2HD2 LEU 103 -6.862 6.173 12.223 307 3HD2 LEU 103 3HD2 LEU 103 -5.701 4.846 12.117 308 H THR 104 HN THR 104 -9.973 6.799 7.272 309 HA THR 104 HA THR 104 -11.767 8.498 8.771 310 HB THR 104 HB THR 104 -11.700 8.277 5.777 311 HG1 THR 104 1HG THR 104 -9.771 9.556 7.414 312 1HG2 THR 104 1HG2 THR 104 -13.257 9.842 6.470 313 2HG2 THR 104 2HG2 THR 104 -11.825 10.789 6.056 314 3HG2 THR 104 3HG2 THR 104 -12.203 10.453 7.746 315 H THR 105 HN THR 105 -11.839 5.854 6.522 316 HA THR 105 HA THR 105 -14.734 5.460 6.879 317 HB THR 105 HB THR 105 -14.784 4.631 4.759 318 HG1 THR 105 1HG THR 105 -12.046 3.965 4.876 319 1HG2 THR 105 1HG2 THR 105 -12.305 6.301 4.609 320 2HG2 THR 105 2HG2 THR 105 -13.966 6.874 4.440 321 3HG2 THR 105 3HG2 THR 105 -13.276 5.796 3.225 322 H GLY 106 HN GLY 106 -11.600 4.068 6.955 323 1HA GLY 106 1HA GLY 106 -10.695 2.419 8.193 324 2HA GLY 106 2HA GLY 106 -12.271 2.036 8.827 325 H GLN 107 HN GLN 107 -12.581 2.133 5.540 326 HA GLN 107 HA GLN 107 -13.073 -0.523 5.180 327 1HB GLN 107 2HB GLN 107 -12.415 1.735 3.409 328 2HB GLN 107 3HB GLN 107 -12.444 0.125 2.713 329 1HG GLN 107 2HG GLN 107 -14.625 0.454 2.475 330 2HG GLN 107 3HG GLN 107 -14.701 0.157 4.210 331 1HE2 GLN 107 1HE2 GLN 107 -14.070 2.797 1.924 332 2HE2 GLN 107 2HE2 GLN 107 -14.938 4.001 2.809 333 H GLU 108 HN GLU 108 -11.874 -2.248 5.179 334 HA GLU 108 HA GLU 108 -8.981 -1.992 5.135 335 1HB GLU 108 2HB GLU 108 -10.735 -4.393 5.627 336 2HB GLU 108 3HB GLU 108 -8.992 -4.378 5.767 337 1HG GLU 108 2HG GLU 108 -9.095 -3.597 7.818 338 2HG GLU 108 3HG GLU 108 -10.126 -2.258 7.325 339 H GLY 109 HN GLY 109 -7.597 -3.003 3.715 340 1HA GLY 109 1HA GLY 109 -8.229 -4.802 1.702 341 2HA GLY 109 2HA GLY 109 -8.490 -3.204 1.024 342 H PHE 110 HN PHE 110 -6.676 -4.527 -0.276 343 HA PHE 110 HA PHE 110 -4.041 -4.106 0.852 344 1HB PHE 110 2HB PHE 110 -5.206 -5.614 -1.408 345 2HB PHE 110 3HB PHE 110 -3.586 -4.993 -1.652 346 HD1 PHE 110 1HD PHE 110 -2.034 -6.668 -1.379 347 HD2 PHE 110 2HD PHE 110 -5.352 -6.466 1.281 348 HE1 PHE 110 1HE PHE 110 -1.124 -8.566 -0.107 349 HE2 PHE 110 2HE PHE 110 -4.445 -8.366 2.559 350 HZ PHE 110 HZ PHE 110 -2.329 -9.417 1.865 351 H ILE 111 HN ILE 111 -2.541 -2.649 0.084 352 HA ILE 111 HA ILE 111 -3.413 -0.818 -2.047 353 HB ILE 111 HB ILE 111 -2.578 1.107 -0.775 354 1HG1 ILE 111 2HG1 ILE 111 -2.507 -0.535 1.725 355 2HG1 ILE 111 3HG1 ILE 111 -1.115 -0.552 0.655 356 1HG2 ILE 111 1HG2 ILE 111 -4.580 -0.284 0.964 357 2HG2 ILE 111 2HG2 ILE 111 -4.481 1.420 0.517 358 3HG2 ILE 111 3HG2 ILE 111 -4.981 0.225 -0.677 359 1HD1 ILE 111 1HD1 ILE 111 -0.553 1.590 1.110 360 2HD1 ILE 111 2HD1 ILE 111 -2.217 2.080 1.434 361 3HD1 ILE 111 3HD1 ILE 111 -1.317 1.155 2.638 362 HA PRO 112 HA PRO 112 0.578 -1.243 -3.805 363 1HB PRO 112 2HB PRO 112 0.886 1.411 -4.607 364 2HB PRO 112 3HB PRO 112 0.090 0.141 -5.540 365 1HG PRO 112 2HG PRO 112 -1.107 2.260 -3.835 366 2HG PRO 112 3HG PRO 112 -1.715 1.541 -5.326 367 1HD PRO 112 2HD PRO 112 -2.708 0.912 -2.918 368 2HD PRO 112 3HD PRO 112 -2.619 -0.257 -4.240 369 H PHE 113 HN PHE 113 2.349 -1.443 -2.552 370 HA PHE 113 HA PHE 113 2.846 0.027 -0.241 371 1HB PHE 113 2HB PHE 113 4.843 -1.164 -0.041 372 2HB PHE 113 3HB PHE 113 3.817 -2.240 -0.982 373 HD1 PHE 113 1HD PHE 113 6.983 -1.815 -0.680 374 HD2 PHE 113 2HD PHE 113 4.078 -0.941 -3.664 375 HE1 PHE 113 1HE PHE 113 8.729 -1.928 -2.409 376 HE2 PHE 113 2HE PHE 113 5.818 -1.054 -5.398 377 HZ PHE 113 HZ PHE 113 8.148 -1.548 -4.771 378 H ASN 114 HN ASN 114 3.437 0.911 -3.507 379 HA ASN 114 HA ASN 114 5.326 3.000 -2.684 380 1HB ASN 114 2HB ASN 114 5.560 3.313 -5.209 381 2HB ASN 114 3HB ASN 114 6.195 1.815 -4.536 382 1HD2 ASN 114 1HD2 ASN 114 4.291 3.153 -6.905 383 2HD2 ASN 114 2HD2 ASN 114 3.450 1.732 -7.413 384 H PHE 115 HN PHE 115 2.540 3.168 -2.019 385 HA PHE 115 HA PHE 115 1.745 5.513 -3.625 386 1HB PHE 115 2HB PHE 115 0.363 3.129 -3.270 387 2HB PHE 115 3HB PHE 115 -0.411 4.233 -2.148 388 HD1 PHE 115 1HD PHE 115 -0.137 3.175 -5.535 389 HD2 PHE 115 2HD PHE 115 -1.283 6.444 -3.065 390 HE1 PHE 115 1HE PHE 115 -1.503 4.074 -7.363 391 HE2 PHE 115 2HE PHE 115 -2.648 7.348 -4.892 392 HZ PHE 115 HZ PHE 115 -2.759 6.168 -7.051 393 H VAL 116 HN VAL 116 2.069 4.099 -0.439 394 HA VAL 116 HA VAL 116 1.110 6.593 0.771 395 HB VAL 116 HB VAL 116 0.908 5.296 2.858 396 1HG1 VAL 116 1HG1 VAL 116 -0.667 3.610 1.097 397 2HG1 VAL 116 2HG1 VAL 116 -1.184 4.804 2.288 398 3HG1 VAL 116 3HG1 VAL 116 -0.744 5.317 0.659 399 1HG2 VAL 116 1HG2 VAL 116 2.370 3.334 1.310 400 2HG2 VAL 116 2HG2 VAL 116 2.071 3.395 3.046 401 3HG2 VAL 116 3HG2 VAL 116 0.885 2.655 1.971 402 H ALA 117 HN ALA 117 2.179 7.611 2.409 403 HA ALA 117 HA ALA 117 4.925 6.808 3.024 404 1HB ALA 117 1HB ALA 117 4.253 9.667 2.364 405 2HB ALA 117 2HB ALA 117 5.844 8.931 2.557 406 3HB ALA 117 3HB ALA 117 4.855 8.538 1.151 407 H LYS 118 HN LYS 118 5.495 7.236 5.134 408 HA LYS 118 HA LYS 118 3.720 7.331 7.145 409 1HB LYS 118 2HB LYS 118 6.431 8.663 7.119 410 2HB LYS 118 3HB LYS 118 5.504 8.329 8.575 411 1HG LYS 118 2HG LYS 118 6.740 6.364 6.671 412 2HG LYS 118 3HG LYS 118 7.086 6.597 8.386 413 1HD LYS 118 2HD LYS 118 4.829 5.818 8.938 414 2HD LYS 118 3HD LYS 118 4.499 5.572 7.224 415 1HE LYS 118 2HE LYS 118 6.395 3.964 7.150 416 2HE LYS 118 3HE LYS 118 6.561 4.142 8.897 417 1HZ LYS 118 1HZ LYS 118 4.572 2.693 7.361 418 2HZ LYS 118 2HZ LYS 118 3.973 3.548 8.692 419 3HZ LYS 118 3HZ LYS 118 5.182 2.385 8.909 420 H ALA 119 HN ALA 119 2.535 8.758 8.308 421 HA ALA 119 HA ALA 119 1.826 11.234 7.090 422 1HB ALA 119 1HB ALA 119 0.632 11.508 9.435 423 2HB ALA 119 2HB ALA 119 0.017 10.391 8.219 424 3HB ALA 119 3HB ALA 119 0.995 9.789 9.563 425 H ASN 120 HN ASN 120 4.411 11.600 7.315 426 HA ASN 120 HA ASN 120 4.633 13.717 9.301 427 1HB ASN 120 2HB ASN 120 6.948 12.894 9.921 428 2HB ASN 120 3HB ASN 120 5.609 11.934 10.541 429 1HD2 ASN 120 1HD2 ASN 120 6.967 10.144 10.775 430 2HD2 ASN 120 2HD2 ASN 120 7.474 9.206 9.415 Start of MODEL 20 1 H ASN 64 HN ASN 64 1.328 2.867 12.830 2 HA ASN 64 HA ASN 64 3.493 2.194 11.105 3 1HB ASN 64 2HB ASN 64 1.422 0.107 11.702 4 2HB ASN 64 3HB ASN 64 2.098 0.219 10.083 5 1HD2 ASN 64 1HD2 ASN 64 2.340 -1.968 11.883 6 2HD2 ASN 64 2HD2 ASN 64 4.023 -2.177 12.214 7 H LEU 65 HN LEU 65 1.294 4.175 11.595 8 HA LEU 65 HA LEU 65 -0.432 3.861 9.324 9 1HB LEU 65 2HB LEU 65 -1.444 4.904 11.142 10 2HB LEU 65 3HB LEU 65 -0.123 6.019 11.380 11 HG LEU 65 HG LEU 65 -0.732 7.134 9.297 12 1HD1 LEU 65 1HD1 LEU 65 -2.280 4.779 8.933 13 2HD1 LEU 65 2HD1 LEU 65 -3.338 6.187 8.862 14 3HD1 LEU 65 3HD1 LEU 65 -1.945 6.076 7.782 15 1HD2 LEU 65 1HD2 LEU 65 -2.981 6.847 11.278 16 2HD2 LEU 65 2HD2 LEU 65 -1.650 8.001 11.361 17 3HD2 LEU 65 3HD2 LEU 65 -2.854 8.133 10.079 18 H VAL 66 HN VAL 66 -0.460 4.947 7.513 19 HA VAL 66 HA VAL 66 1.854 6.644 6.852 20 HB VAL 66 HB VAL 66 1.520 5.704 4.521 21 1HG1 VAL 66 1HG1 VAL 66 2.632 4.042 6.759 22 2HG1 VAL 66 2HG1 VAL 66 2.903 3.684 5.052 23 3HG1 VAL 66 3HG1 VAL 66 3.498 5.195 5.742 24 1HG2 VAL 66 1HG2 VAL 66 0.637 3.387 4.451 25 2HG2 VAL 66 2HG2 VAL 66 0.059 3.609 6.103 26 3HG2 VAL 66 3HG2 VAL 66 -0.590 4.605 4.800 27 H ILE 67 HN ILE 67 1.346 7.570 4.501 28 HA ILE 67 HA ILE 67 -1.393 8.469 4.282 29 HB ILE 67 HB ILE 67 0.689 10.157 5.370 30 1HG1 ILE 67 2HG1 ILE 67 -2.261 10.372 4.859 31 2HG1 ILE 67 3HG1 ILE 67 -1.462 9.963 6.350 32 1HG2 ILE 67 1HG2 ILE 67 0.179 12.172 4.013 33 2HG2 ILE 67 2HG2 ILE 67 1.074 10.944 3.119 34 3HG2 ILE 67 3HG2 ILE 67 -0.658 11.141 2.854 35 1HD1 ILE 67 1HD1 ILE 67 -2.354 12.475 5.484 36 2HD1 ILE 67 2HD1 ILE 67 -1.480 12.084 6.966 37 3HD1 ILE 67 3HD1 ILE 67 -0.589 12.540 5.513 38 H ALA 68 HN ALA 68 -2.019 8.485 2.267 39 HA ALA 68 HA ALA 68 -0.328 7.671 0.171 40 1HB ALA 68 1HB ALA 68 -2.792 9.010 -0.661 41 2HB ALA 68 2HB ALA 68 -2.218 7.374 -0.987 42 3HB ALA 68 3HB ALA 68 -3.019 7.740 0.541 43 H LEU 69 HN LEU 69 0.299 8.725 -1.727 44 HA LEU 69 HA LEU 69 0.530 11.656 -1.503 45 1HB LEU 69 2HB LEU 69 2.503 9.634 -2.554 46 2HB LEU 69 3HB LEU 69 2.669 11.362 -2.810 47 HG LEU 69 HG LEU 69 2.640 9.999 -0.114 48 1HD1 LEU 69 1HD1 LEU 69 4.728 9.451 -0.940 49 2HD1 LEU 69 2HD1 LEU 69 4.845 10.917 -1.916 50 3HD1 LEU 69 3HD1 LEU 69 5.050 11.002 -0.167 51 1HD2 LEU 69 1HD2 LEU 69 3.366 12.240 0.689 52 2HD2 LEU 69 2HD2 LEU 69 3.026 12.879 -0.920 53 3HD2 LEU 69 3HD2 LEU 69 1.720 12.209 0.057 54 H HIS 70 HN HIS 70 -1.273 9.580 -3.007 55 HA HIS 70 HA HIS 70 -1.678 11.177 -5.324 56 1HB HIS 70 2HB HIS 70 -1.245 8.692 -6.582 57 2HB HIS 70 3HB HIS 70 -0.316 10.169 -6.793 58 HD1 HIS 70 1HD HIS 70 1.965 9.126 -7.025 59 HD2 HIS 70 2HD HIS 70 -0.008 7.899 -3.585 60 HE1 HIS 70 1HE HIS 70 3.683 7.889 -5.674 61 HE2 HIS 70 2HE HIS 70 2.512 7.326 -3.519 62 H SER 71 HN SER 71 -3.681 10.804 -6.232 63 HA SER 71 HA SER 71 -5.611 9.468 -4.717 64 1HB SER 71 2HB SER 71 -6.142 9.779 -7.622 65 2HB SER 71 3HB SER 71 -7.126 10.256 -6.239 66 HG SER 71 HG SER 71 -5.912 12.078 -6.001 67 H TYR 72 HN TYR 72 -6.105 7.384 -4.525 68 HA TYR 72 HA TYR 72 -4.965 5.520 -6.490 69 1HB TYR 72 2HB TYR 72 -4.365 5.249 -4.069 70 2HB TYR 72 3HB TYR 72 -6.045 4.848 -3.759 71 HD1 TYR 72 1HD TYR 72 -6.154 2.601 -3.242 72 HD2 TYR 72 2HD TYR 72 -3.738 3.829 -6.518 73 HE1 TYR 72 1HE TYR 72 -5.714 0.248 -3.792 74 HE2 TYR 72 2HE TYR 72 -3.298 1.480 -7.081 75 HH TYR 72 HH TYR 72 -4.617 -0.790 -6.647 76 H GLU 73 HN GLU 73 -6.112 3.877 -7.409 77 HA GLU 73 HA GLU 73 -8.999 3.793 -7.016 78 1HB GLU 73 2HB GLU 73 -7.658 4.825 -9.286 79 2HB GLU 73 3HB GLU 73 -8.474 3.350 -9.755 80 1HG GLU 73 2HG GLU 73 -10.578 4.202 -9.092 81 2HG GLU 73 3HG GLU 73 -9.825 5.562 -8.257 82 HA PRO 74 HA PRO 74 -7.380 -0.408 -6.200 83 1HB PRO 74 2HB PRO 74 -10.183 -1.112 -6.188 84 2HB PRO 74 3HB PRO 74 -9.051 -1.048 -4.837 85 1HG PRO 74 2HG PRO 74 -11.007 0.957 -5.726 86 2HG PRO 74 3HG PRO 74 -10.234 0.760 -4.145 87 1HD PRO 74 2HD PRO 74 -9.603 2.799 -5.808 88 2HD PRO 74 3HD PRO 74 -8.394 2.028 -4.754 89 H SER 75 HN SER 75 -6.744 -1.756 -7.719 90 HA SER 75 HA SER 75 -8.480 -2.208 -10.055 91 1HB SER 75 2HB SER 75 -5.593 -1.543 -9.898 92 2HB SER 75 3HB SER 75 -6.050 -2.771 -11.078 93 HG SER 75 HG SER 75 -6.207 -0.800 -12.080 94 H HIS 76 HN HIS 76 -6.006 -3.563 -7.917 95 HA HIS 76 HA HIS 76 -6.354 -6.234 -8.937 96 1HB HIS 76 2HB HIS 76 -4.579 -4.889 -7.016 97 2HB HIS 76 3HB HIS 76 -5.023 -6.527 -6.551 98 HD1 HIS 76 1HD HIS 76 -3.936 -4.929 -9.842 99 HD2 HIS 76 2HD HIS 76 -3.148 -8.235 -7.450 100 HE1 HIS 76 1HE HIS 76 -2.165 -6.234 -11.061 101 HE2 HIS 76 2HE HIS 76 -1.642 -8.183 -9.552 102 H ASP 77 HN ASP 77 -7.014 -8.046 -7.561 103 HA ASP 77 HA ASP 77 -9.523 -7.544 -6.329 104 1HB ASP 77 2HB ASP 77 -8.472 -9.713 -7.498 105 2HB ASP 77 3HB ASP 77 -8.127 -10.120 -5.819 106 H GLY 78 HN GLY 78 -10.099 -7.392 -4.215 107 1HA GLY 78 1HA GLY 78 -9.887 -7.229 -1.926 108 2HA GLY 78 2HA GLY 78 -8.438 -8.212 -2.056 109 H ASP 79 HN ASP 79 -8.976 -5.107 -3.645 110 HA ASP 79 HA ASP 79 -6.692 -4.052 -2.133 111 1HB ASP 79 2HB ASP 79 -7.852 -3.235 -4.797 112 2HB ASP 79 3HB ASP 79 -6.571 -2.350 -3.974 113 H LEU 80 HN LEU 80 -6.730 -1.879 -1.408 114 HA LEU 80 HA LEU 80 -9.434 -0.918 -0.764 115 1HB LEU 80 2HB LEU 80 -8.492 -1.347 1.296 116 2HB LEU 80 3HB LEU 80 -6.870 -0.987 0.754 117 HG LEU 80 HG LEU 80 -7.550 1.450 0.721 118 1HD1 LEU 80 1HD1 LEU 80 -10.031 0.214 1.750 119 2HD1 LEU 80 2HD1 LEU 80 -9.494 1.701 2.536 120 3HD1 LEU 80 3HD1 LEU 80 -9.801 1.681 0.798 121 1HD2 LEU 80 1HD2 LEU 80 -7.314 1.686 3.167 122 2HD2 LEU 80 2HD2 LEU 80 -7.567 -0.051 3.333 123 3HD2 LEU 80 3HD2 LEU 80 -6.151 0.555 2.473 124 H GLY 81 HN GLY 81 -10.030 1.052 -1.456 125 1HA GLY 81 1HA GLY 81 -8.070 2.579 -2.994 126 2HA GLY 81 2HA GLY 81 -9.808 2.785 -3.061 127 H PHE 82 HN PHE 82 -7.546 4.680 -2.622 128 HA PHE 82 HA PHE 82 -8.757 6.077 -0.380 129 1HB PHE 82 2HB PHE 82 -6.316 6.660 0.357 130 2HB PHE 82 3HB PHE 82 -7.062 5.163 0.893 131 HD1 PHE 82 1HD PHE 82 -4.213 6.595 -0.581 132 HD2 PHE 82 2HD PHE 82 -6.609 3.079 -0.632 133 HE1 PHE 82 1HE PHE 82 -2.319 5.320 -1.522 134 HE2 PHE 82 2HE PHE 82 -4.728 1.811 -1.577 135 HZ PHE 82 HZ PHE 82 -2.582 2.927 -2.016 136 H GLU 83 HN GLU 83 -7.531 8.291 -0.146 137 HA GLU 83 HA GLU 83 -7.313 9.372 -2.875 138 1HB GLU 83 2HB GLU 83 -8.678 10.239 -0.456 139 2HB GLU 83 3HB GLU 83 -7.666 11.503 -1.133 140 1HG GLU 83 2HG GLU 83 -8.973 10.462 -3.328 141 2HG GLU 83 3HG GLU 83 -10.194 10.447 -2.056 142 H LYS 84 HN LYS 84 -5.989 11.514 -2.865 143 HA LYS 84 HA LYS 84 -3.335 10.837 -2.046 144 1HB LYS 84 2HB LYS 84 -3.390 12.045 -4.036 145 2HB LYS 84 3HB LYS 84 -4.597 13.169 -3.437 146 1HG LYS 84 2HG LYS 84 -2.669 13.878 -1.800 147 2HG LYS 84 3HG LYS 84 -1.644 13.152 -3.036 148 1HD LYS 84 2HD LYS 84 -3.750 14.999 -3.973 149 2HD LYS 84 3HD LYS 84 -2.412 15.720 -3.079 150 1HE LYS 84 2HE LYS 84 -0.843 14.559 -4.628 151 2HE LYS 84 3HE LYS 84 -2.236 14.031 -5.570 152 1HZ LYS 84 1HZ LYS 84 -2.422 16.022 -6.522 153 2HZ LYS 84 2HZ LYS 84 -0.865 16.336 -5.943 154 3HZ LYS 84 3HZ LYS 84 -2.213 16.859 -5.066 155 H GLY 85 HN GLY 85 -2.332 11.341 -0.209 156 1HA GLY 85 1HA GLY 85 -1.824 12.535 1.740 157 2HA GLY 85 2HA GLY 85 -3.204 13.586 1.425 158 H GLU 86 HN GLU 86 -4.642 10.814 0.975 159 HA GLU 86 HA GLU 86 -6.045 10.720 3.367 160 1HB GLU 86 2HB GLU 86 -6.290 9.520 0.944 161 2HB GLU 86 3HB GLU 86 -5.708 8.172 1.902 162 1HG GLU 86 2HG GLU 86 -8.322 9.069 1.620 163 2HG GLU 86 3HG GLU 86 -7.724 7.812 2.683 164 H GLN 87 HN GLN 87 -6.100 8.826 4.868 165 HA GLN 87 HA GLN 87 -3.372 7.862 5.393 166 1HB GLN 87 2HB GLN 87 -5.355 8.422 7.577 167 2HB GLN 87 3HB GLN 87 -3.627 8.155 7.716 168 1HG GLN 87 2HG GLN 87 -3.114 10.281 7.249 169 2HG GLN 87 3HG GLN 87 -4.397 10.438 6.055 170 1HE2 GLN 87 1HE2 GLN 87 -3.787 10.301 9.526 171 2HE2 GLN 87 2HE2 GLN 87 -5.112 11.311 9.984 172 H LEU 88 HN LEU 88 -3.126 5.858 6.224 173 HA LEU 88 HA LEU 88 -5.442 4.128 6.587 174 1HB LEU 88 2HB LEU 88 -3.304 3.013 4.868 175 2HB LEU 88 3HB LEU 88 -5.013 2.636 4.914 176 HG LEU 88 HG LEU 88 -4.443 5.324 3.898 177 1HD1 LEU 88 1HD1 LEU 88 -2.557 3.581 3.136 178 2HD1 LEU 88 2HD1 LEU 88 -3.801 3.221 1.937 179 3HD1 LEU 88 3HD1 LEU 88 -3.177 4.864 2.092 180 1HD2 LEU 88 1HD2 LEU 88 -5.916 3.010 2.667 181 2HD2 LEU 88 2HD2 LEU 88 -6.629 4.086 3.877 182 3HD2 LEU 88 3HD2 LEU 88 -6.111 4.732 2.317 183 H ARG 89 HN ARG 89 -5.105 2.814 8.225 184 HA ARG 89 HA ARG 89 -2.533 2.754 9.488 185 1HB ARG 89 2HB ARG 89 -4.373 2.898 10.963 186 2HB ARG 89 3HB ARG 89 -5.232 1.596 10.149 187 1HG ARG 89 2HG ARG 89 -3.632 -0.002 10.953 188 2HG ARG 89 3HG ARG 89 -2.680 1.282 11.679 189 1HD ARG 89 2HD ARG 89 -4.791 1.862 12.977 190 2HD ARG 89 3HD ARG 89 -5.387 0.289 12.480 191 HE ARG 89 HE ARG 89 -2.799 0.431 13.829 192 1HH1 ARG 89 2HH1 ARG 89 -6.190 -0.417 13.971 193 2HH1 ARG 89 1HH1 ARG 89 -6.005 -1.412 15.375 194 1HH2 ARG 89 2HH2 ARG 89 -2.568 -0.875 15.675 195 2HH2 ARG 89 1HH2 ARG 89 -3.953 -1.671 16.343 196 H ILE 90 HN ILE 90 -1.084 1.573 8.457 197 HA ILE 90 HA ILE 90 -1.559 -0.619 6.820 198 HB ILE 90 HB ILE 90 1.008 -0.110 8.325 199 1HG1 ILE 90 2HG1 ILE 90 0.218 1.913 7.161 200 2HG1 ILE 90 3HG1 ILE 90 1.682 1.279 6.441 201 1HG2 ILE 90 1HG2 ILE 90 1.986 -1.620 6.997 202 2HG2 ILE 90 2HG2 ILE 90 0.346 -2.209 6.721 203 3HG2 ILE 90 3HG2 ILE 90 1.084 -1.091 5.574 204 1HD1 ILE 90 1HD1 ILE 90 0.685 1.230 4.473 205 2HD1 ILE 90 2HD1 ILE 90 -0.530 0.119 5.104 206 3HD1 ILE 90 3HD1 ILE 90 -0.790 1.860 5.205 207 H LEU 91 HN LEU 91 -2.426 -2.437 7.330 208 HA LEU 91 HA LEU 91 -2.282 -3.587 9.970 209 1HB LEU 91 2HB LEU 91 -3.327 -4.876 7.454 210 2HB LEU 91 3HB LEU 91 -3.786 -5.225 9.109 211 HG LEU 91 HG LEU 91 -4.400 -2.680 7.611 212 1HD1 LEU 91 1HD1 LEU 91 -5.906 -4.066 6.663 213 2HD1 LEU 91 2HD1 LEU 91 -5.919 -5.181 8.029 214 3HD1 LEU 91 3HD1 LEU 91 -6.802 -3.654 8.126 215 1HD2 LEU 91 1HD2 LEU 91 -4.692 -1.775 9.621 216 2HD2 LEU 91 2HD2 LEU 91 -6.041 -2.886 9.852 217 3HD2 LEU 91 3HD2 LEU 91 -4.431 -3.323 10.424 218 H GLU 92 HN GLU 92 -1.166 -4.320 6.726 219 HA GLU 92 HA GLU 92 1.139 -5.717 7.802 220 1HB GLU 92 2HB GLU 92 -1.076 -7.089 6.602 221 2HB GLU 92 3HB GLU 92 0.338 -7.249 5.567 222 1HG GLU 92 2HG GLU 92 1.106 -8.834 6.895 223 2HG GLU 92 3HG GLU 92 1.227 -7.646 8.196 224 H GLN 93 HN GLN 93 2.904 -5.815 6.293 225 HA GLN 93 HA GLN 93 2.531 -4.196 3.894 226 1HB GLN 93 2HB GLN 93 4.934 -3.294 4.654 227 2HB GLN 93 3HB GLN 93 3.432 -2.491 5.066 228 1HG GLN 93 2HG GLN 93 3.403 -3.749 7.173 229 2HG GLN 93 3HG GLN 93 4.966 -4.403 6.744 230 1HE2 GLN 93 1HE2 GLN 93 6.405 -2.396 5.850 231 2HE2 GLN 93 2HE2 GLN 93 6.554 -1.131 7.017 232 H SER 94 HN SER 94 2.810 -7.003 4.083 233 HA SER 94 HA SER 94 5.538 -7.604 3.322 234 1HB SER 94 2HB SER 94 4.949 -9.576 4.185 235 2HB SER 94 3HB SER 94 3.254 -9.105 4.250 236 HG SER 94 HG SER 94 4.658 -10.332 2.119 237 H GLY 95 HN GLY 95 6.277 -7.764 1.302 238 1HA GLY 95 1HA GLY 95 6.271 -7.928 -1.013 239 2HA GLY 95 2HA GLY 95 4.566 -8.321 -0.932 240 H GLU 96 HN GLU 96 5.580 -6.797 -2.915 241 HA GLU 96 HA GLU 96 5.697 -4.076 -2.711 242 1HB GLU 96 2HB GLU 96 6.087 -4.668 -4.848 243 2HB GLU 96 3HB GLU 96 4.951 -6.010 -4.781 244 1HG GLU 96 2HG GLU 96 3.125 -4.578 -5.102 245 2HG GLU 96 3HG GLU 96 4.141 -3.144 -4.976 246 H TRP 97 HN TRP 97 2.921 -6.058 -2.150 247 HA TRP 97 HA TRP 97 1.211 -3.668 -2.168 248 1HB TRP 97 2HB TRP 97 0.613 -6.585 -2.572 249 2HB TRP 97 3HB TRP 97 -0.653 -5.449 -2.118 250 HD1 TRP 97 1HD TRP 97 1.666 -6.338 -5.027 251 HE1 TRP 97 1HE TRP 97 0.823 -5.150 -7.150 252 HE3 TRP 97 3HE TRP 97 -1.993 -3.446 -2.941 253 HZ2 TRP 97 2HZ TRP 97 -1.132 -3.233 -7.844 254 HZ3 TRP 97 3HZ TRP 97 -3.301 -1.963 -4.395 255 HH2 TRP 97 2HH TRP 97 -2.875 -1.854 -6.797 256 H TRP 98 HN TRP 98 0.837 -2.812 -0.241 257 HA TRP 98 HA TRP 98 1.109 -4.475 2.148 258 1HB TRP 98 2HB TRP 98 1.064 -1.488 1.767 259 2HB TRP 98 3HB TRP 98 1.085 -2.270 3.340 260 HD1 TRP 98 1HD TRP 98 3.199 -4.361 1.286 261 HE1 TRP 98 1HE TRP 98 5.688 -3.766 1.582 262 HE3 TRP 98 3HE TRP 98 2.648 0.147 3.563 263 HZ2 TRP 98 2HZ TRP 98 7.216 -1.622 2.644 264 HZ3 TRP 98 3HZ TRP 98 4.656 1.430 4.189 265 HH2 TRP 98 2HH TRP 98 6.896 0.557 3.740 266 H LYS 99 HN LYS 99 -0.440 -4.644 3.708 267 HA LYS 99 HA LYS 99 -3.173 -4.101 2.862 268 1HB LYS 99 2HB LYS 99 -2.706 -6.325 3.746 269 2HB LYS 99 3HB LYS 99 -2.043 -5.628 5.214 270 1HG LYS 99 2HG LYS 99 -4.443 -6.593 5.227 271 2HG LYS 99 3HG LYS 99 -4.110 -5.071 6.055 272 1HD LYS 99 2HD LYS 99 -5.111 -3.804 4.417 273 2HD LYS 99 3HD LYS 99 -5.016 -5.092 3.212 274 1HE LYS 99 2HE LYS 99 -6.542 -5.994 5.461 275 2HE LYS 99 3HE LYS 99 -7.174 -4.445 4.911 276 1HZ LYS 99 1HZ LYS 99 -7.289 -7.026 3.647 277 2HZ LYS 99 2HZ LYS 99 -6.800 -5.792 2.600 278 3HZ LYS 99 3HZ LYS 99 -8.273 -5.669 3.422 279 H ALA 100 HN ALA 100 -4.044 -2.186 3.410 280 HA ALA 100 HA ALA 100 -3.227 -1.006 5.985 281 1HB ALA 100 1HB ALA 100 -3.060 1.082 5.099 282 2HB ALA 100 2HB ALA 100 -2.598 0.133 3.683 283 3HB ALA 100 3HB ALA 100 -4.243 0.763 3.827 284 H GLN 101 HN GLN 101 -4.760 -0.115 7.285 285 HA GLN 101 HA GLN 101 -7.541 -0.609 6.465 286 1HB GLN 101 2HB GLN 101 -7.030 -1.887 8.430 287 2HB GLN 101 3HB GLN 101 -6.295 -0.508 9.221 288 1HG GLN 101 2HG GLN 101 -8.575 0.554 9.041 289 2HG GLN 101 3HG GLN 101 -9.191 -1.035 8.657 290 1HE2 GLN 101 1HE2 GLN 101 -7.633 0.930 11.092 291 2HE2 GLN 101 2HE2 GLN 101 -8.022 -0.079 12.439 292 H SER 102 HN SER 102 -8.428 1.193 5.765 293 HA SER 102 HA SER 102 -7.476 3.749 6.016 294 1HB SER 102 2HB SER 102 -9.886 2.447 5.116 295 2HB SER 102 3HB SER 102 -10.252 3.964 5.895 296 HG SER 102 HG SER 102 -9.512 3.734 3.476 297 H LEU 103 HN LEU 103 -8.591 5.587 7.184 298 HA LEU 103 HA LEU 103 -9.313 4.721 9.906 299 1HB LEU 103 2HB LEU 103 -7.421 6.867 9.035 300 2HB LEU 103 3HB LEU 103 -8.138 6.855 10.631 301 HG LEU 103 HG LEU 103 -7.221 4.298 10.458 302 1HD1 LEU 103 1HD1 LEU 103 -4.853 4.581 9.618 303 2HD1 LEU 103 2HD1 LEU 103 -6.131 4.485 8.404 304 3HD1 LEU 103 3HD1 LEU 103 -5.428 6.047 8.822 305 1HD2 LEU 103 1HD2 LEU 103 -5.339 6.426 11.374 306 2HD2 LEU 103 2HD2 LEU 103 -6.871 6.176 12.214 307 3HD2 LEU 103 3HD2 LEU 103 -5.705 4.853 12.094 308 H THR 104 HN THR 104 -9.974 6.826 7.268 309 HA THR 104 HA THR 104 -11.786 8.505 8.765 310 HB THR 104 HB THR 104 -11.692 8.311 5.771 311 HG1 THR 104 1HG THR 104 -9.888 9.607 5.744 312 1HG2 THR 104 1HG2 THR 104 -12.216 10.467 7.756 313 2HG2 THR 104 2HG2 THR 104 -13.257 9.866 6.463 314 3HG2 THR 104 3HG2 THR 104 -11.825 10.822 6.074 315 H THR 105 HN THR 105 -11.828 5.886 6.485 316 HA THR 105 HA THR 105 -14.723 5.478 6.806 317 HB THR 105 HB THR 105 -14.742 4.659 4.681 318 HG1 THR 105 1HG THR 105 -12.007 3.990 4.841 319 1HG2 THR 105 1HG2 THR 105 -13.914 6.907 4.392 320 2HG2 THR 105 2HG2 THR 105 -13.225 5.834 3.172 321 3HG2 THR 105 3HG2 THR 105 -12.257 6.325 4.566 322 H GLY 106 HN GLY 106 -11.586 4.100 6.929 323 1HA GLY 106 1HA GLY 106 -10.692 2.447 8.166 324 2HA GLY 106 2HA GLY 106 -12.274 2.059 8.782 325 H GLN 107 HN GLN 107 -12.588 2.152 5.506 326 HA GLN 107 HA GLN 107 -13.060 -0.499 5.131 327 1HB GLN 107 2HB GLN 107 -12.390 1.766 3.374 328 2HB GLN 107 3HB GLN 107 -12.401 0.159 2.672 329 1HG GLN 107 2HG GLN 107 -14.580 0.476 2.405 330 2HG GLN 107 3HG GLN 107 -14.678 0.176 4.139 331 1HE2 GLN 107 1HE2 GLN 107 -15.937 1.576 5.109 332 2HE2 GLN 107 2HE2 GLN 107 -16.091 3.253 4.729 333 H GLU 108 HN GLU 108 -11.860 -2.226 5.134 334 HA GLU 108 HA GLU 108 -8.967 -1.967 5.112 335 1HB GLU 108 2HB GLU 108 -10.701 -4.389 5.573 336 2HB GLU 108 3HB GLU 108 -8.963 -4.331 5.769 337 1HG GLU 108 2HG GLU 108 -9.149 -3.537 7.810 338 2HG GLU 108 3HG GLU 108 -10.208 -2.236 7.279 339 H GLY 109 HN GLY 109 -7.574 -2.952 3.690 340 1HA GLY 109 1HA GLY 109 -8.184 -4.764 1.682 341 2HA GLY 109 2HA GLY 109 -8.460 -3.170 1.001 342 H PHE 110 HN PHE 110 -6.644 -4.452 -0.306 343 HA PHE 110 HA PHE 110 -4.003 -4.087 0.804 344 1HB PHE 110 2HB PHE 110 -5.205 -5.429 -1.539 345 2HB PHE 110 3HB PHE 110 -3.589 -4.791 -1.773 346 HD1 PHE 110 1HD PHE 110 -5.133 -6.306 1.247 347 HD2 PHE 110 2HD PHE 110 -2.194 -6.643 -1.814 348 HE1 PHE 110 1HE PHE 110 -4.197 -8.287 2.368 349 HE2 PHE 110 2HE PHE 110 -1.255 -8.626 -0.699 350 HZ PHE 110 HZ PHE 110 -2.257 -9.450 1.395 351 H ILE 111 HN ILE 111 -2.378 -2.758 -0.205 352 HA ILE 111 HA ILE 111 -3.312 -0.749 -2.099 353 HB ILE 111 HB ILE 111 -2.580 1.138 -0.738 354 1HG1 ILE 111 2HG1 ILE 111 -2.426 -0.531 1.723 355 2HG1 ILE 111 3HG1 ILE 111 -1.059 -0.579 0.620 356 1HG2 ILE 111 1HG2 ILE 111 -4.468 -0.410 0.994 357 2HG2 ILE 111 2HG2 ILE 111 -4.479 1.305 0.580 358 3HG2 ILE 111 3HG2 ILE 111 -4.939 0.106 -0.626 359 1HD1 ILE 111 1HD1 ILE 111 -2.073 1.665 2.272 360 2HD1 ILE 111 2HD1 ILE 111 -0.422 1.092 2.024 361 3HD1 ILE 111 3HD1 ILE 111 -1.233 2.020 0.761 362 HA PRO 112 HA PRO 112 0.685 -1.082 -3.867 363 1HB PRO 112 2HB PRO 112 0.951 1.654 -4.484 364 2HB PRO 112 3HB PRO 112 0.286 0.402 -5.534 365 1HG PRO 112 2HG PRO 112 -1.122 2.390 -3.856 366 2HG PRO 112 3HG PRO 112 -1.627 1.629 -5.362 367 1HD PRO 112 2HD PRO 112 -2.655 0.953 -2.962 368 2HD PRO 112 3HD PRO 112 -2.497 -0.196 -4.298 369 H PHE 113 HN PHE 113 2.304 -1.438 -2.441 370 HA PHE 113 HA PHE 113 2.826 -0.060 -0.114 371 1HB PHE 113 2HB PHE 113 4.798 -1.293 0.070 372 2HB PHE 113 3HB PHE 113 3.779 -2.303 -0.948 373 HD1 PHE 113 1HD PHE 113 4.104 -0.955 -3.567 374 HD2 PHE 113 2HD PHE 113 6.958 -1.857 -0.542 375 HE1 PHE 113 1HE PHE 113 5.882 -1.005 -5.266 376 HE2 PHE 113 2HE PHE 113 8.742 -1.911 -2.237 377 HZ PHE 113 HZ PHE 113 8.204 -1.483 -4.601 378 H ASN 114 HN ASN 114 3.609 0.896 -3.342 379 HA ASN 114 HA ASN 114 5.431 2.961 -2.357 380 1HB ASN 114 2HB ASN 114 5.417 1.359 -4.667 381 2HB ASN 114 3HB ASN 114 5.212 3.027 -5.171 382 1HD2 ASN 114 1HD2 ASN 114 7.135 3.617 -5.911 383 2HD2 ASN 114 2HD2 ASN 114 8.624 3.480 -5.045 384 H PHE 115 HN PHE 115 2.572 3.112 -1.922 385 HA PHE 115 HA PHE 115 1.945 5.493 -3.545 386 1HB PHE 115 2HB PHE 115 0.468 3.119 -3.222 387 2HB PHE 115 3HB PHE 115 -0.383 4.347 -2.300 388 HD1 PHE 115 1HD PHE 115 -2.229 4.914 -3.514 389 HD2 PHE 115 2HD PHE 115 1.520 4.613 -5.491 390 HE1 PHE 115 1HE PHE 115 -3.252 5.779 -5.562 391 HE2 PHE 115 2HE PHE 115 0.504 5.482 -7.557 392 HZ PHE 115 HZ PHE 115 -1.889 6.069 -7.596 393 H VAL 116 HN VAL 116 2.481 4.300 -0.379 394 HA VAL 116 HA VAL 116 1.330 6.776 0.726 395 HB VAL 116 HB VAL 116 0.939 5.526 2.835 396 1HG1 VAL 116 1HG1 VAL 116 -0.566 4.145 0.663 397 2HG1 VAL 116 2HG1 VAL 116 -1.148 4.806 2.191 398 3HG1 VAL 116 3HG1 VAL 116 -0.716 5.890 0.870 399 1HG2 VAL 116 1HG2 VAL 116 2.032 3.572 3.036 400 2HG2 VAL 116 2HG2 VAL 116 0.716 2.902 2.071 401 3HG2 VAL 116 3HG2 VAL 116 2.218 3.396 1.291 402 H ALA 117 HN ALA 117 2.319 7.745 2.468 403 HA ALA 117 HA ALA 117 4.991 6.819 3.235 404 1HB ALA 117 1HB ALA 117 4.762 8.783 1.393 405 2HB ALA 117 2HB ALA 117 4.727 9.735 2.877 406 3HB ALA 117 3HB ALA 117 6.092 8.670 2.545 407 H LYS 118 HN LYS 118 5.534 7.313 5.358 408 HA LYS 118 HA LYS 118 3.694 7.388 7.314 409 1HB LYS 118 2HB LYS 118 6.387 8.753 7.356 410 2HB LYS 118 3HB LYS 118 5.420 8.432 8.789 411 1HG LYS 118 2HG LYS 118 6.745 6.455 6.961 412 2HG LYS 118 3HG LYS 118 7.016 6.713 8.686 413 1HD LYS 118 2HD LYS 118 4.741 5.917 9.146 414 2HD LYS 118 3HD LYS 118 4.499 5.635 7.423 415 1HE LYS 118 2HE LYS 118 5.309 3.585 7.718 416 2HE LYS 118 3HE LYS 118 6.878 4.316 8.055 417 1HZ LYS 118 1HZ LYS 118 4.864 4.036 10.192 418 2HZ LYS 118 2HZ LYS 118 6.544 4.180 10.327 419 3HZ LYS 118 3HZ LYS 118 5.861 2.734 9.777 420 H ALA 119 HN ALA 119 2.431 8.795 8.404 421 HA ALA 119 HA ALA 119 1.731 11.258 7.162 422 1HB ALA 119 1HB ALA 119 -0.096 10.392 8.245 423 2HB ALA 119 2HB ALA 119 0.853 9.819 9.622 424 3HB ALA 119 3HB ALA 119 0.467 11.531 9.466 425 H ASN 120 HN ASN 120 4.306 11.672 7.463 426 HA ASN 120 HA ASN 120 4.438 13.721 9.549 427 1HB ASN 120 2HB ASN 120 5.925 11.267 9.571 428 2HB ASN 120 3HB ASN 120 7.040 12.612 9.353 429 1HD2 ASN 120 1HD2 ASN 120 6.327 10.735 11.632 430 2HD2 ASN 120 2HD2 ASN 120 6.099 11.791 12.979 Start of MODEL 21 1 H ASN 64 HN ASN 64 1.294 2.895 12.883 2 HA ASN 64 HA ASN 64 3.466 2.169 11.146 3 1HB ASN 64 2HB ASN 64 1.331 0.175 11.839 4 2HB ASN 64 3HB ASN 64 2.005 0.199 10.216 5 1HD2 ASN 64 1HD2 ASN 64 2.206 -1.969 11.952 6 2HD2 ASN 64 2HD2 ASN 64 3.871 -2.203 12.344 7 H LEU 65 HN LEU 65 1.252 4.187 11.624 8 HA LEU 65 HA LEU 65 -0.452 3.853 9.342 9 1HB LEU 65 2HB LEU 65 -1.485 4.913 11.129 10 2HB LEU 65 3HB LEU 65 -0.159 6.014 11.393 11 HG LEU 65 HG LEU 65 -0.723 7.137 9.300 12 1HD1 LEU 65 1HD1 LEU 65 -3.328 6.249 8.812 13 2HD1 LEU 65 2HD1 LEU 65 -1.912 6.062 7.775 14 3HD1 LEU 65 3HD1 LEU 65 -2.326 4.804 8.941 15 1HD2 LEU 65 1HD2 LEU 65 -2.831 8.170 10.058 16 2HD2 LEU 65 2HD2 LEU 65 -3.005 6.881 11.248 17 3HD2 LEU 65 3HD2 LEU 65 -1.651 8.007 11.360 18 H VAL 66 HN VAL 66 -0.455 4.896 7.512 19 HA VAL 66 HA VAL 66 1.861 6.592 6.852 20 HB VAL 66 HB VAL 66 1.525 5.645 4.521 21 1HG1 VAL 66 1HG1 VAL 66 2.630 3.977 6.760 22 2HG1 VAL 66 2HG1 VAL 66 2.917 3.637 5.053 23 3HG1 VAL 66 3HG1 VAL 66 3.500 5.144 5.764 24 1HG2 VAL 66 1HG2 VAL 66 0.641 3.324 4.470 25 2HG2 VAL 66 2HG2 VAL 66 0.057 3.564 6.116 26 3HG2 VAL 66 3HG2 VAL 66 -0.585 4.547 4.801 27 H ILE 67 HN ILE 67 1.359 7.530 4.504 28 HA ILE 67 HA ILE 67 -1.380 8.435 4.307 29 HB ILE 67 HB ILE 67 0.714 10.109 5.383 30 1HG1 ILE 67 2HG1 ILE 67 -2.234 10.354 4.880 31 2HG1 ILE 67 3HG1 ILE 67 -1.440 9.915 6.364 32 1HG2 ILE 67 1HG2 ILE 67 0.201 12.133 4.036 33 2HG2 ILE 67 2HG2 ILE 67 1.099 10.908 3.138 34 3HG2 ILE 67 3HG2 ILE 67 -0.634 11.105 2.873 35 1HD1 ILE 67 1HD1 ILE 67 -2.294 12.454 5.521 36 2HD1 ILE 67 2HD1 ILE 67 -1.444 12.029 7.008 37 3HD1 ILE 67 3HD1 ILE 67 -0.529 12.489 5.571 38 H ALA 68 HN ALA 68 -2.021 8.349 2.313 39 HA ALA 68 HA ALA 68 -0.397 7.549 0.189 40 1HB ALA 68 1HB ALA 68 -2.716 8.890 -0.816 41 2HB ALA 68 2HB ALA 68 -2.360 7.165 -0.756 42 3HB ALA 68 3HB ALA 68 -3.140 7.953 0.616 43 H LEU 69 HN LEU 69 0.214 8.602 -1.736 44 HA LEU 69 HA LEU 69 0.582 11.516 -1.472 45 1HB LEU 69 2HB LEU 69 2.432 9.428 -2.611 46 2HB LEU 69 3HB LEU 69 2.669 11.151 -2.841 47 HG LEU 69 HG LEU 69 2.649 9.740 -0.167 48 1HD1 LEU 69 1HD1 LEU 69 4.684 9.107 -1.058 49 2HD1 LEU 69 2HD1 LEU 69 4.845 10.580 -2.018 50 3HD1 LEU 69 3HD1 LEU 69 5.103 10.630 -0.275 51 1HD2 LEU 69 1HD2 LEU 69 1.839 11.997 0.046 52 2HD2 LEU 69 2HD2 LEU 69 3.492 11.922 0.660 53 3HD2 LEU 69 3HD2 LEU 69 3.172 12.611 -0.930 54 H HIS 70 HN HIS 70 -1.252 9.421 -3.032 55 HA HIS 70 HA HIS 70 -1.691 11.124 -5.280 56 1HB HIS 70 2HB HIS 70 -1.294 8.649 -6.591 57 2HB HIS 70 3HB HIS 70 -0.385 10.138 -6.811 58 HD1 HIS 70 1HD HIS 70 1.895 9.100 -7.118 59 HD2 HIS 70 2HD HIS 70 0.032 7.852 -3.627 60 HE1 HIS 70 1HE HIS 70 3.660 7.875 -5.822 61 HE2 HIS 70 2HE HIS 70 2.557 7.295 -3.636 62 H SER 71 HN SER 71 -3.698 10.783 -6.208 63 HA SER 71 HA SER 71 -5.650 9.471 -4.707 64 1HB SER 71 2HB SER 71 -6.163 9.769 -7.616 65 2HB SER 71 3HB SER 71 -7.146 10.269 -6.241 66 HG SER 71 HG SER 71 -5.993 11.937 -7.611 67 H TYR 72 HN TYR 72 -6.152 7.394 -4.497 68 HA TYR 72 HA TYR 72 -5.027 5.509 -6.449 69 1HB TYR 72 2HB TYR 72 -4.462 5.247 -4.013 70 2HB TYR 72 3HB TYR 72 -6.146 4.843 -3.733 71 HD1 TYR 72 1HD TYR 72 -6.252 2.595 -3.213 72 HD2 TYR 72 2HD TYR 72 -3.802 3.831 -6.462 73 HE1 TYR 72 1HE TYR 72 -5.798 0.244 -3.760 74 HE2 TYR 72 2HE TYR 72 -3.351 1.483 -7.021 75 HH TYR 72 HH TYR 72 -5.110 -1.102 -5.638 76 H GLU 73 HN GLU 73 -6.176 3.878 -7.374 77 HA GLU 73 HA GLU 73 -9.063 3.803 -7.008 78 1HB GLU 73 2HB GLU 73 -7.710 4.859 -9.258 79 2HB GLU 73 3HB GLU 73 -8.518 3.387 -9.749 80 1HG GLU 73 2HG GLU 73 -10.627 4.224 -9.110 81 2HG GLU 73 3HG GLU 73 -9.894 5.563 -8.228 82 HA PRO 74 HA PRO 74 -7.466 -0.409 -6.212 83 1HB PRO 74 2HB PRO 74 -10.277 -1.096 -6.268 84 2HB PRO 74 3HB PRO 74 -9.168 -1.069 -4.898 85 1HG PRO 74 2HG PRO 74 -11.095 0.968 -5.773 86 2HG PRO 74 3HG PRO 74 -10.337 0.739 -4.189 87 1HD PRO 74 2HD PRO 74 -9.678 2.800 -5.818 88 2HD PRO 74 3HD PRO 74 -8.486 2.007 -4.759 89 H SER 75 HN SER 75 -6.853 -1.821 -7.683 90 HA SER 75 HA SER 75 -8.533 -2.239 -10.063 91 1HB SER 75 2HB SER 75 -6.039 -1.019 -10.080 92 2HB SER 75 3HB SER 75 -5.687 -2.685 -10.540 93 HG SER 75 HG SER 75 -7.304 -0.781 -11.828 94 H HIS 76 HN HIS 76 -5.996 -3.573 -7.972 95 HA HIS 76 HA HIS 76 -6.361 -6.246 -8.984 96 1HB HIS 76 2HB HIS 76 -4.609 -4.946 -6.954 97 2HB HIS 76 3HB HIS 76 -4.908 -6.672 -6.783 98 HD1 HIS 76 1HD HIS 76 -3.612 -8.213 -8.284 99 HD2 HIS 76 2HD HIS 76 -3.320 -4.233 -9.441 100 HE1 HIS 76 1HE HIS 76 -1.864 -8.165 -10.091 101 HE2 HIS 76 2HE HIS 76 -1.638 -5.733 -10.709 102 H ASP 77 HN ASP 77 -7.220 -8.013 -7.844 103 HA ASP 77 HA ASP 77 -9.591 -7.524 -6.441 104 1HB ASP 77 2HB ASP 77 -8.643 -9.670 -7.695 105 2HB ASP 77 3HB ASP 77 -8.188 -10.126 -6.056 106 H GLY 78 HN GLY 78 -10.057 -7.203 -4.353 107 1HA GLY 78 1HA GLY 78 -9.824 -7.224 -2.047 108 2HA GLY 78 2HA GLY 78 -8.344 -8.148 -2.242 109 H ASP 79 HN ASP 79 -8.853 -5.092 -3.873 110 HA ASP 79 HA ASP 79 -6.628 -3.986 -2.330 111 1HB ASP 79 2HB ASP 79 -7.884 -3.190 -4.954 112 2HB ASP 79 3HB ASP 79 -6.695 -2.187 -4.127 113 H LEU 80 HN LEU 80 -6.705 -1.772 -1.620 114 HA LEU 80 HA LEU 80 -9.419 -0.931 -0.852 115 1HB LEU 80 2HB LEU 80 -8.507 -1.324 1.199 116 2HB LEU 80 3HB LEU 80 -6.867 -1.096 0.636 117 HG LEU 80 HG LEU 80 -7.523 1.428 0.563 118 1HD1 LEU 80 1HD1 LEU 80 -9.106 1.694 2.681 119 2HD1 LEU 80 2HD1 LEU 80 -9.738 1.621 1.035 120 3HD1 LEU 80 3HD1 LEU 80 -9.761 0.181 2.052 121 1HD2 LEU 80 1HD2 LEU 80 -7.212 1.247 3.259 122 2HD2 LEU 80 2HD2 LEU 80 -6.609 -0.321 2.722 123 3HD2 LEU 80 3HD2 LEU 80 -5.900 1.160 2.082 124 H GLY 81 HN GLY 81 -10.081 1.027 -1.511 125 1HA GLY 81 1HA GLY 81 -8.188 2.642 -3.037 126 2HA GLY 81 2HA GLY 81 -9.931 2.812 -3.055 127 H PHE 82 HN PHE 82 -7.651 4.712 -2.604 128 HA PHE 82 HA PHE 82 -8.857 6.081 -0.344 129 1HB PHE 82 2HB PHE 82 -6.410 6.639 0.404 130 2HB PHE 82 3HB PHE 82 -7.177 5.149 0.934 131 HD1 PHE 82 1HD PHE 82 -6.740 3.062 -0.577 132 HD2 PHE 82 2HD PHE 82 -4.307 6.552 -0.546 133 HE1 PHE 82 1HE PHE 82 -4.874 1.769 -1.517 134 HE2 PHE 82 2HE PHE 82 -2.428 5.254 -1.483 135 HZ PHE 82 HZ PHE 82 -2.717 2.861 -1.965 136 H GLU 83 HN GLU 83 -7.621 8.287 -0.081 137 HA GLU 83 HA GLU 83 -7.404 9.393 -2.798 138 1HB GLU 83 2HB GLU 83 -8.708 10.263 -0.351 139 2HB GLU 83 3HB GLU 83 -7.667 11.509 -1.015 140 1HG GLU 83 2HG GLU 83 -9.027 10.551 -3.215 141 2HG GLU 83 3HG GLU 83 -10.235 10.545 -1.932 142 H LYS 84 HN LYS 84 -6.010 11.477 -2.817 143 HA LYS 84 HA LYS 84 -3.370 10.719 -2.015 144 1HB LYS 84 2HB LYS 84 -3.506 11.896 -4.054 145 2HB LYS 84 3HB LYS 84 -4.522 13.147 -3.359 146 1HG LYS 84 2HG LYS 84 -2.527 13.755 -1.914 147 2HG LYS 84 3HG LYS 84 -1.581 12.701 -2.961 148 1HD LYS 84 2HD LYS 84 -2.094 14.029 -4.876 149 2HD LYS 84 3HD LYS 84 -3.246 15.000 -3.961 150 1HE LYS 84 2HE LYS 84 -1.302 15.670 -2.485 151 2HE LYS 84 3HE LYS 84 -0.250 14.924 -3.687 152 1HZ LYS 84 1HZ LYS 84 -2.210 17.033 -4.380 153 2HZ LYS 84 2HZ LYS 84 -0.909 16.475 -5.306 154 3HZ LYS 84 3HZ LYS 84 -0.623 17.387 -3.911 155 H GLY 85 HN GLY 85 -2.314 11.237 -0.209 156 1HA GLY 85 1HA GLY 85 -1.758 12.443 1.726 157 2HA GLY 85 2HA GLY 85 -3.119 13.521 1.411 158 H GLU 86 HN GLU 86 -4.609 10.765 1.006 159 HA GLU 86 HA GLU 86 -5.999 10.723 3.411 160 1HB GLU 86 2HB GLU 86 -6.283 9.507 1.001 161 2HB GLU 86 3HB GLU 86 -5.715 8.157 1.964 162 1HG GLU 86 2HG GLU 86 -8.315 9.094 1.694 163 2HG GLU 86 3HG GLU 86 -7.731 7.835 2.761 164 H GLN 87 HN GLN 87 -6.074 8.837 4.928 165 HA GLN 87 HA GLN 87 -3.353 7.846 5.443 166 1HB GLN 87 2HB GLN 87 -5.325 8.406 7.637 167 2HB GLN 87 3HB GLN 87 -3.594 8.142 7.763 168 1HG GLN 87 2HG GLN 87 -3.083 10.267 7.285 169 2HG GLN 87 3HG GLN 87 -4.387 10.428 6.114 170 1HE2 GLN 87 1HE2 GLN 87 -4.201 9.745 9.594 171 2HE2 GLN 87 2HE2 GLN 87 -5.331 10.963 10.067 172 H LEU 88 HN LEU 88 -3.113 5.840 6.234 173 HA LEU 88 HA LEU 88 -5.435 4.119 6.616 174 1HB LEU 88 2HB LEU 88 -3.322 2.990 4.878 175 2HB LEU 88 3HB LEU 88 -5.038 2.645 4.924 176 HG LEU 88 HG LEU 88 -4.432 5.330 3.931 177 1HD1 LEU 88 1HD1 LEU 88 -3.798 3.229 1.961 178 2HD1 LEU 88 2HD1 LEU 88 -3.174 4.871 2.116 179 3HD1 LEU 88 3HD1 LEU 88 -2.555 3.590 3.162 180 1HD2 LEU 88 1HD2 LEU 88 -5.957 3.010 2.766 181 2HD2 LEU 88 2HD2 LEU 88 -6.639 4.218 3.863 182 3HD2 LEU 88 3HD2 LEU 88 -6.058 4.703 2.268 183 H ARG 89 HN ARG 89 -5.098 2.788 8.238 184 HA ARG 89 HA ARG 89 -2.520 2.711 9.490 185 1HB ARG 89 2HB ARG 89 -4.361 2.856 10.966 186 2HB ARG 89 3HB ARG 89 -5.216 1.550 10.158 187 1HG ARG 89 2HG ARG 89 -3.656 -0.050 10.972 188 2HG ARG 89 3HG ARG 89 -2.639 1.220 11.635 189 1HD ARG 89 2HD ARG 89 -4.777 1.885 12.936 190 2HD ARG 89 3HD ARG 89 -5.288 0.241 12.597 191 HE ARG 89 HE ARG 89 -3.094 1.083 14.323 192 1HH1 ARG 89 2HH1 ARG 89 -4.837 -1.551 12.823 193 2HH1 ARG 89 1HH1 ARG 89 -4.220 -2.742 13.916 194 1HH2 ARG 89 2HH2 ARG 89 -2.283 -0.489 15.753 195 2HH2 ARG 89 1HH2 ARG 89 -2.773 -2.142 15.577 196 H ILE 90 HN ILE 90 -1.079 1.529 8.472 197 HA ILE 90 HA ILE 90 -1.540 -0.640 6.803 198 HB ILE 90 HB ILE 90 1.003 -0.133 8.350 199 1HG1 ILE 90 2HG1 ILE 90 0.191 1.874 7.150 200 2HG1 ILE 90 3HG1 ILE 90 1.702 1.272 6.502 201 1HG2 ILE 90 1HG2 ILE 90 1.155 -1.121 5.609 202 2HG2 ILE 90 2HG2 ILE 90 2.005 -1.658 7.060 203 3HG2 ILE 90 3HG2 ILE 90 0.373 -2.239 6.728 204 1HD1 ILE 90 1HD1 ILE 90 0.779 1.272 4.495 205 2HD1 ILE 90 2HD1 ILE 90 -0.346 0.027 5.041 206 3HD1 ILE 90 3HD1 ILE 90 -0.782 1.731 5.177 207 H LEU 91 HN LEU 91 -2.410 -2.467 7.272 208 HA LEU 91 HA LEU 91 -2.304 -3.659 9.895 209 1HB LEU 91 2HB LEU 91 -3.317 -4.882 7.331 210 2HB LEU 91 3HB LEU 91 -3.772 -5.306 8.970 211 HG LEU 91 HG LEU 91 -4.411 -2.705 7.581 212 1HD1 LEU 91 1HD1 LEU 91 -5.832 -4.191 6.567 213 2HD1 LEU 91 2HD1 LEU 91 -5.992 -5.195 8.010 214 3HD1 LEU 91 3HD1 LEU 91 -6.799 -3.625 7.930 215 1HD2 LEU 91 1HD2 LEU 91 -4.652 -1.908 9.646 216 2HD2 LEU 91 2HD2 LEU 91 -6.060 -2.961 9.780 217 3HD2 LEU 91 3HD2 LEU 91 -4.490 -3.508 10.368 218 H GLU 92 HN GLU 92 -1.142 -4.344 6.653 219 HA GLU 92 HA GLU 92 1.123 -5.786 7.759 220 1HB GLU 92 2HB GLU 92 -1.066 -7.110 6.510 221 2HB GLU 92 3HB GLU 92 0.324 -7.214 5.438 222 1HG GLU 92 2HG GLU 92 1.129 -8.854 6.671 223 2HG GLU 92 3HG GLU 92 1.280 -7.721 8.017 224 H GLN 93 HN GLN 93 2.969 -5.425 6.654 225 HA GLN 93 HA GLN 93 2.728 -3.931 4.148 226 1HB GLN 93 2HB GLN 93 4.998 -2.933 5.000 227 2HB GLN 93 3HB GLN 93 3.464 -2.266 5.529 228 1HG GLN 93 2HG GLN 93 3.608 -3.785 7.494 229 2HG GLN 93 3HG GLN 93 5.231 -4.158 6.967 230 1HE2 GLN 93 1HE2 GLN 93 6.844 -2.913 7.660 231 2HE2 GLN 93 2HE2 GLN 93 6.662 -1.374 8.423 232 H SER 94 HN SER 94 3.007 -6.729 4.355 233 HA SER 94 HA SER 94 5.786 -7.230 3.596 234 1HB SER 94 2HB SER 94 4.301 -9.615 3.403 235 2HB SER 94 3HB SER 94 5.430 -9.164 4.678 236 HG SER 94 HG SER 94 3.757 -8.389 5.885 237 H GLY 95 HN GLY 95 6.347 -7.245 1.527 238 1HA GLY 95 1HA GLY 95 6.152 -7.879 -0.742 239 2HA GLY 95 2HA GLY 95 4.441 -8.162 -0.486 240 H GLU 96 HN GLU 96 5.499 -6.843 -2.667 241 HA GLU 96 HA GLU 96 5.660 -4.103 -2.634 242 1HB GLU 96 2HB GLU 96 6.094 -4.867 -4.716 243 2HB GLU 96 3HB GLU 96 4.907 -6.160 -4.592 244 1HG GLU 96 2HG GLU 96 3.143 -4.685 -5.050 245 2HG GLU 96 3HG GLU 96 4.210 -3.285 -4.995 246 H TRP 97 HN TRP 97 2.884 -6.033 -1.959 247 HA TRP 97 HA TRP 97 1.185 -3.636 -2.117 248 1HB TRP 97 2HB TRP 97 0.582 -6.551 -2.506 249 2HB TRP 97 3HB TRP 97 -0.693 -5.424 -2.053 250 HD1 TRP 97 1HD TRP 97 1.651 -6.282 -4.953 251 HE1 TRP 97 1HE TRP 97 0.802 -5.106 -7.079 252 HE3 TRP 97 3HE TRP 97 -2.060 -3.445 -2.884 253 HZ2 TRP 97 2HZ TRP 97 -1.177 -3.219 -7.782 254 HZ3 TRP 97 3HZ TRP 97 -3.383 -1.981 -4.345 255 HH2 TRP 97 2HH TRP 97 -2.946 -1.867 -6.746 256 H TRP 98 HN TRP 98 1.025 -2.725 -0.174 257 HA TRP 98 HA TRP 98 1.157 -4.354 2.231 258 1HB TRP 98 2HB TRP 98 1.151 -1.376 1.787 259 2HB TRP 98 3HB TRP 98 1.088 -2.107 3.382 260 HD1 TRP 98 1HD TRP 98 3.268 -4.252 1.413 261 HE1 TRP 98 1HE TRP 98 5.747 -3.697 1.841 262 HE3 TRP 98 3HE TRP 98 2.674 0.239 3.722 263 HZ2 TRP 98 2HZ TRP 98 7.252 -1.591 3.002 264 HZ3 TRP 98 3HZ TRP 98 4.666 1.482 4.458 265 HH2 TRP 98 2HH TRP 98 6.912 0.579 4.109 266 H LYS 99 HN LYS 99 -0.450 -4.703 3.633 267 HA LYS 99 HA LYS 99 -3.155 -4.075 2.801 268 1HB LYS 99 2HB LYS 99 -2.707 -6.313 3.658 269 2HB LYS 99 3HB LYS 99 -2.062 -5.641 5.145 270 1HG LYS 99 2HG LYS 99 -4.456 -6.594 5.135 271 2HG LYS 99 3HG LYS 99 -4.144 -5.061 5.954 272 1HD LYS 99 2HD LYS 99 -5.111 -3.815 4.271 273 2HD LYS 99 3HD LYS 99 -5.013 -5.128 3.095 274 1HE LYS 99 2HE LYS 99 -6.565 -5.985 5.337 275 2HE LYS 99 3HE LYS 99 -7.178 -4.434 4.771 276 1HZ LYS 99 1HZ LYS 99 -6.810 -5.791 2.471 277 2HZ LYS 99 2HZ LYS 99 -8.284 -5.666 3.292 278 3HZ LYS 99 3HZ LYS 99 -7.303 -7.023 3.520 279 H ALA 100 HN ALA 100 -4.041 -2.174 3.379 280 HA ALA 100 HA ALA 100 -3.226 -1.025 5.970 281 1HB ALA 100 1HB ALA 100 -2.623 0.133 3.663 282 2HB ALA 100 2HB ALA 100 -4.258 0.775 3.851 283 3HB ALA 100 3HB ALA 100 -3.046 1.064 5.103 284 H GLN 101 HN GLN 101 -4.754 -0.123 7.273 285 HA GLN 101 HA GLN 101 -7.539 -0.610 6.463 286 1HB GLN 101 2HB GLN 101 -7.032 -1.913 8.410 287 2HB GLN 101 3HB GLN 101 -6.282 -0.549 9.214 288 1HG GLN 101 2HG GLN 101 -8.559 0.531 9.043 289 2HG GLN 101 3HG GLN 101 -9.183 -1.056 8.666 290 1HE2 GLN 101 1HE2 GLN 101 -7.637 0.926 11.086 291 2HE2 GLN 101 2HE2 GLN 101 -8.004 -0.084 12.437 292 H SER 102 HN SER 102 -8.418 1.205 5.783 293 HA SER 102 HA SER 102 -7.445 3.751 6.066 294 1HB SER 102 2HB SER 102 -9.862 2.486 5.138 295 2HB SER 102 3HB SER 102 -10.219 3.992 5.943 296 HG SER 102 HG SER 102 -8.678 3.540 3.656 297 H LEU 103 HN LEU 103 -8.563 5.584 7.248 298 HA LEU 103 HA LEU 103 -9.280 4.697 9.964 299 1HB LEU 103 2HB LEU 103 -7.386 6.847 9.105 300 2HB LEU 103 3HB LEU 103 -8.092 6.816 10.706 301 HG LEU 103 HG LEU 103 -7.182 4.261 10.501 302 1HD1 LEU 103 1HD1 LEU 103 -6.114 4.453 8.440 303 2HD1 LEU 103 2HD1 LEU 103 -5.409 6.017 8.850 304 3HD1 LEU 103 3HD1 LEU 103 -4.820 4.551 9.635 305 1HD2 LEU 103 1HD2 LEU 103 -5.650 4.797 12.127 306 2HD2 LEU 103 2HD2 LEU 103 -5.273 6.368 11.409 307 3HD2 LEU 103 3HD2 LEU 103 -6.800 6.132 12.263 308 H THR 104 HN THR 104 -9.929 6.831 7.346 309 HA THR 104 HA THR 104 -11.737 8.506 8.857 310 HB THR 104 HB THR 104 -11.646 8.339 5.862 311 HG1 THR 104 1HG THR 104 -9.865 9.777 5.932 312 1HG2 THR 104 1HG2 THR 104 -13.190 9.907 6.569 313 2HG2 THR 104 2HG2 THR 104 -11.745 10.849 6.192 314 3HG2 THR 104 3HG2 THR 104 -12.145 10.480 7.869 315 H THR 105 HN THR 105 -11.789 5.910 6.551 316 HA THR 105 HA THR 105 -14.688 5.512 6.866 317 HB THR 105 HB THR 105 -14.712 4.735 4.727 318 HG1 THR 105 1HG THR 105 -11.984 4.035 4.887 319 1HG2 THR 105 1HG2 THR 105 -13.188 5.925 3.238 320 2HG2 THR 105 2HG2 THR 105 -12.213 6.379 4.637 321 3HG2 THR 105 3HG2 THR 105 -13.864 6.982 4.479 322 H GLY 106 HN GLY 106 -11.559 4.115 6.962 323 1HA GLY 106 1HA GLY 106 -10.676 2.435 8.179 324 2HA GLY 106 2HA GLY 106 -12.265 2.036 8.770 325 H GLN 107 HN GLN 107 -12.570 2.209 5.502 326 HA GLN 107 HA GLN 107 -13.038 -0.429 5.051 327 1HB GLN 107 2HB GLN 107 -12.362 1.884 3.362 328 2HB GLN 107 3HB GLN 107 -12.364 0.299 2.613 329 1HG GLN 107 2HG GLN 107 -14.543 0.620 2.341 330 2HG GLN 107 3HG GLN 107 -14.654 0.269 4.065 331 1HE2 GLN 107 1HE2 GLN 107 -15.913 1.640 5.073 332 2HE2 GLN 107 2HE2 GLN 107 -16.072 3.327 4.737 333 H GLU 108 HN GLU 108 -11.845 -2.164 4.981 334 HA GLU 108 HA GLU 108 -8.945 -1.900 4.961 335 1HB GLU 108 2HB GLU 108 -10.725 -4.272 5.493 336 2HB GLU 108 3HB GLU 108 -8.978 -4.311 5.567 337 1HG GLU 108 2HG GLU 108 -8.982 -3.533 7.622 338 2HG GLU 108 3HG GLU 108 -9.980 -2.157 7.163 339 H GLY 109 HN GLY 109 -7.569 -2.968 3.557 340 1HA GLY 109 1HA GLY 109 -8.210 -4.756 1.548 341 2HA GLY 109 2HA GLY 109 -8.468 -3.160 0.862 342 H PHE 110 HN PHE 110 -6.669 -4.472 -0.449 343 HA PHE 110 HA PHE 110 -4.020 -4.132 0.658 344 1HB PHE 110 2HB PHE 110 -5.240 -5.500 -1.652 345 2HB PHE 110 3HB PHE 110 -3.641 -4.841 -1.940 346 HD1 PHE 110 1HD PHE 110 -2.226 -6.678 -2.006 347 HD2 PHE 110 2HD PHE 110 -5.069 -6.340 1.145 348 HE1 PHE 110 1HE PHE 110 -1.228 -8.636 -0.901 349 HE2 PHE 110 2HE PHE 110 -4.074 -8.299 2.255 350 HZ PHE 110 HZ PHE 110 -2.152 -9.449 1.232 351 H ILE 111 HN ILE 111 -2.473 -2.674 -0.093 352 HA ILE 111 HA ILE 111 -3.353 -0.707 -2.084 353 HB ILE 111 HB ILE 111 -2.625 1.166 -0.729 354 1HG1 ILE 111 2HG1 ILE 111 -2.360 -0.496 1.726 355 2HG1 ILE 111 3HG1 ILE 111 -1.030 -0.530 0.578 356 1HG2 ILE 111 1HG2 ILE 111 -4.479 1.311 0.639 357 2HG2 ILE 111 2HG2 ILE 111 -4.961 0.080 -0.527 358 3HG2 ILE 111 3HG2 ILE 111 -4.417 -0.395 1.082 359 1HD1 ILE 111 1HD1 ILE 111 -1.548 1.376 2.562 360 2HD1 ILE 111 2HD1 ILE 111 -0.267 1.382 1.349 361 3HD1 ILE 111 3HD1 ILE 111 -1.808 2.173 1.010 362 HA PRO 112 HA PRO 112 0.625 -1.109 -3.890 363 1HB PRO 112 2HB PRO 112 0.917 1.610 -4.543 364 2HB PRO 112 3HB PRO 112 0.203 0.362 -5.566 365 1HG PRO 112 2HG PRO 112 -1.128 2.378 -3.850 366 2HG PRO 112 3HG PRO 112 -1.670 1.653 -5.362 367 1HD PRO 112 2HD PRO 112 -2.699 0.956 -2.980 368 2HD PRO 112 3HD PRO 112 -2.538 -0.193 -4.318 369 H PHE 113 HN PHE 113 2.302 -1.438 -2.528 370 HA PHE 113 HA PHE 113 2.845 -0.054 -0.200 371 1HB PHE 113 2HB PHE 113 4.847 -1.260 -0.057 372 2HB PHE 113 3HB PHE 113 3.791 -2.296 -1.009 373 HD1 PHE 113 1HD PHE 113 6.978 -1.862 -0.745 374 HD2 PHE 113 2HD PHE 113 4.012 -0.991 -3.668 375 HE1 PHE 113 1HE PHE 113 8.692 -1.952 -2.507 376 HE2 PHE 113 2HE PHE 113 5.719 -1.079 -5.435 377 HZ PHE 113 HZ PHE 113 8.065 -1.561 -4.856 378 H ASN 114 HN ASN 114 3.563 0.895 -3.443 379 HA ASN 114 HA ASN 114 5.416 2.959 -2.496 380 1HB ASN 114 2HB ASN 114 5.768 3.320 -4.996 381 2HB ASN 114 3HB ASN 114 6.349 1.797 -4.332 382 1HD2 ASN 114 1HD2 ASN 114 5.023 2.996 -6.954 383 2HD2 ASN 114 2HD2 ASN 114 4.010 1.689 -7.455 384 H PHE 115 HN PHE 115 2.573 3.124 -1.972 385 HA PHE 115 HA PHE 115 1.903 5.505 -3.581 386 1HB PHE 115 2HB PHE 115 0.417 3.138 -3.189 387 2HB PHE 115 3HB PHE 115 -0.395 4.390 -2.267 388 HD1 PHE 115 1HD PHE 115 -2.268 4.952 -3.446 389 HD2 PHE 115 2HD PHE 115 1.431 4.589 -5.507 390 HE1 PHE 115 1HE PHE 115 -3.331 5.796 -5.483 391 HE2 PHE 115 2HE PHE 115 0.373 5.437 -7.561 392 HZ PHE 115 HZ PHE 115 -2.015 6.044 -7.552 393 H VAL 116 HN VAL 116 2.268 4.177 -0.388 394 HA VAL 116 HA VAL 116 1.237 6.690 0.743 395 HB VAL 116 HB VAL 116 0.898 5.453 2.846 396 1HG1 VAL 116 1HG1 VAL 116 -0.613 3.826 0.926 397 2HG1 VAL 116 2HG1 VAL 116 -1.179 4.875 2.225 398 3HG1 VAL 116 3HG1 VAL 116 -0.697 5.571 0.678 399 1HG2 VAL 116 1HG2 VAL 116 2.136 3.578 3.057 400 2HG2 VAL 116 2HG2 VAL 116 0.792 2.815 2.209 401 3HG2 VAL 116 3HG2 VAL 116 2.223 3.324 1.313 402 H ALA 117 HN ALA 117 2.268 7.730 2.370 403 HA ALA 117 HA ALA 117 4.976 6.869 3.095 404 1HB ALA 117 1HB ALA 117 5.096 8.572 1.275 405 2HB ALA 117 2HB ALA 117 4.264 9.705 2.341 406 3HB ALA 117 3HB ALA 117 5.857 9.088 2.779 407 H LYS 118 HN LYS 118 5.496 7.278 5.227 408 HA LYS 118 HA LYS 118 3.656 7.342 7.186 409 1HB LYS 118 2HB LYS 118 6.480 7.882 7.033 410 2HB LYS 118 3HB LYS 118 5.738 8.925 8.236 411 1HG LYS 118 2HG LYS 118 6.640 6.674 9.012 412 2HG LYS 118 3HG LYS 118 5.013 7.122 9.527 413 1HD LYS 118 2HD LYS 118 4.013 5.553 8.204 414 2HD LYS 118 3HD LYS 118 5.303 5.586 7.002 415 1HE LYS 118 2HE LYS 118 5.722 4.466 9.759 416 2HE LYS 118 3HE LYS 118 5.082 3.483 8.441 417 1HZ LYS 118 1HZ LYS 118 7.069 3.403 7.419 418 2HZ LYS 118 2HZ LYS 118 7.675 3.726 8.965 419 3HZ LYS 118 3HZ LYS 118 7.498 4.983 7.847 420 H ALA 119 HN ALA 119 2.472 8.761 8.366 421 HA ALA 119 HA ALA 119 1.757 11.236 7.145 422 1HB ALA 119 1HB ALA 119 0.919 9.788 9.615 423 2HB ALA 119 2HB ALA 119 0.540 11.504 9.474 424 3HB ALA 119 3HB ALA 119 -0.052 10.374 8.258 425 H ASN 120 HN ASN 120 4.392 11.525 7.462 426 HA ASN 120 HA ASN 120 4.561 13.770 9.281 427 1HB ASN 120 2HB ASN 120 5.846 11.184 9.835 428 2HB ASN 120 3HB ASN 120 6.941 12.562 9.910 429 1HD2 ASN 120 1HD2 ASN 120 6.357 11.045 12.127 430 2HD2 ASN 120 2HD2 ASN 120 5.442 11.993 13.244 Start of MODEL 22 1 H ASN 64 HN ASN 64 1.238 2.911 12.890 2 HA ASN 64 HA ASN 64 3.399 2.157 11.241 3 1HB ASN 64 2HB ASN 64 1.331 0.063 11.804 4 2HB ASN 64 3HB ASN 64 1.992 0.187 10.182 5 1HD2 ASN 64 1HD2 ASN 64 2.273 -2.039 11.870 6 2HD2 ASN 64 2HD2 ASN 64 3.952 -2.235 12.220 7 H LEU 65 HN LEU 65 1.299 4.196 11.626 8 HA LEU 65 HA LEU 65 -0.429 3.870 9.349 9 1HB LEU 65 2HB LEU 65 -1.443 4.941 11.152 10 2HB LEU 65 3HB LEU 65 -0.117 6.052 11.377 11 HG LEU 65 HG LEU 65 -0.709 7.134 9.267 12 1HD1 LEU 65 1HD1 LEU 65 -2.281 4.785 8.948 13 2HD1 LEU 65 2HD1 LEU 65 -3.321 6.204 8.843 14 3HD1 LEU 65 3HD1 LEU 65 -1.925 6.054 7.772 15 1HD2 LEU 65 1HD2 LEU 65 -1.619 8.052 11.308 16 2HD2 LEU 65 2HD2 LEU 65 -2.825 8.163 10.026 17 3HD2 LEU 65 3HD2 LEU 65 -2.958 6.906 11.257 18 H VAL 66 HN VAL 66 -0.432 4.926 7.533 19 HA VAL 66 HA VAL 66 1.897 6.596 6.854 20 HB VAL 66 HB VAL 66 1.538 5.643 4.526 21 1HG1 VAL 66 1HG1 VAL 66 2.649 3.987 6.771 22 2HG1 VAL 66 2HG1 VAL 66 2.909 3.616 5.067 23 3HG1 VAL 66 3HG1 VAL 66 3.519 5.126 5.742 24 1HG2 VAL 66 1HG2 VAL 66 0.647 3.310 4.515 25 2HG2 VAL 66 2HG2 VAL 66 0.042 3.601 6.145 26 3HG2 VAL 66 3HG2 VAL 66 -0.568 4.557 4.795 27 H ILE 67 HN ILE 67 1.373 7.528 4.501 28 HA ILE 67 HA ILE 67 -1.368 8.447 4.347 29 HB ILE 67 HB ILE 67 0.769 10.137 5.328 30 1HG1 ILE 67 2HG1 ILE 67 -2.202 10.343 4.946 31 2HG1 ILE 67 3HG1 ILE 67 -1.339 9.967 6.406 32 1HG2 ILE 67 1HG2 ILE 67 -0.693 11.100 2.869 33 2HG2 ILE 67 2HG2 ILE 67 0.218 12.133 3.969 34 3HG2 ILE 67 3HG2 ILE 67 1.048 10.882 3.043 35 1HD1 ILE 67 1HD1 ILE 67 -0.486 12.516 5.524 36 2HD1 ILE 67 2HD1 ILE 67 -2.250 12.468 5.487 37 3HD1 ILE 67 3HD1 ILE 67 -1.389 12.096 6.981 38 H ALA 68 HN ALA 68 -2.060 8.380 2.372 39 HA ALA 68 HA ALA 68 -0.544 7.494 0.220 40 1HB ALA 68 1HB ALA 68 -2.505 7.353 -0.808 41 2HB ALA 68 2HB ALA 68 -3.219 7.981 0.678 42 3HB ALA 68 3HB ALA 68 -2.812 9.080 -0.641 43 H LEU 69 HN LEU 69 0.280 8.467 -1.620 44 HA LEU 69 HA LEU 69 1.060 11.265 -1.244 45 1HB LEU 69 2HB LEU 69 2.192 9.043 -2.934 46 2HB LEU 69 3HB LEU 69 2.734 10.708 -3.059 47 HG LEU 69 HG LEU 69 2.964 8.913 -0.640 48 1HD1 LEU 69 1HD1 LEU 69 4.671 8.310 -2.121 49 2HD1 LEU 69 2HD1 LEU 69 4.935 9.976 -2.640 50 3HD1 LEU 69 3HD1 LEU 69 5.431 9.465 -1.027 51 1HD2 LEU 69 1HD2 LEU 69 2.613 10.977 0.334 52 2HD2 LEU 69 2HD2 LEU 69 4.368 10.945 0.160 53 3HD2 LEU 69 3HD2 LEU 69 3.383 11.851 -0.989 54 H HIS 70 HN HIS 70 -0.805 9.181 -3.285 55 HA HIS 70 HA HIS 70 -1.689 11.506 -4.810 56 1HB HIS 70 2HB HIS 70 -1.680 9.660 -6.812 57 2HB HIS 70 3HB HIS 70 -0.432 10.869 -6.573 58 HD1 HIS 70 1HD HIS 70 -0.749 7.425 -7.212 59 HD2 HIS 70 2HD HIS 70 1.701 9.688 -4.741 60 HE1 HIS 70 1HE HIS 70 1.221 5.952 -6.689 61 HE2 HIS 70 2HE HIS 70 2.645 7.309 -5.115 62 H SER 71 HN SER 71 -3.481 10.537 -6.472 63 HA SER 71 HA SER 71 -5.509 9.464 -4.717 64 1HB SER 71 2HB SER 71 -6.063 9.779 -7.618 65 2HB SER 71 3HB SER 71 -7.034 10.260 -6.227 66 HG SER 71 HG SER 71 -5.110 11.665 -7.617 67 H TYR 72 HN TYR 72 -6.019 7.384 -4.525 68 HA TYR 72 HA TYR 72 -4.900 5.516 -6.501 69 1HB TYR 72 2HB TYR 72 -4.272 5.208 -4.103 70 2HB TYR 72 3HB TYR 72 -5.957 4.856 -3.753 71 HD1 TYR 72 1HD TYR 72 -6.103 2.605 -3.227 72 HD2 TYR 72 2HD TYR 72 -3.763 3.779 -6.577 73 HE1 TYR 72 1HE TYR 72 -5.746 0.242 -3.799 74 HE2 TYR 72 2HE TYR 72 -3.403 1.420 -7.161 75 HH TYR 72 HH TYR 72 -4.649 -0.787 -6.742 76 H GLU 73 HN GLU 73 -6.069 3.875 -7.411 77 HA GLU 73 HA GLU 73 -8.951 3.815 -6.995 78 1HB GLU 73 2HB GLU 73 -7.630 4.859 -9.268 79 2HB GLU 73 3HB GLU 73 -8.455 3.390 -9.743 80 1HG GLU 73 2HG GLU 73 -10.549 4.241 -9.043 81 2HG GLU 73 3HG GLU 73 -9.781 5.596 -8.217 82 HA PRO 74 HA PRO 74 -7.360 -0.407 -6.239 83 1HB PRO 74 2HB PRO 74 -10.166 -1.090 -6.181 84 2HB PRO 74 3HB PRO 74 -9.011 -1.039 -4.849 85 1HG PRO 74 2HG PRO 74 -10.970 0.982 -5.699 86 2HG PRO 74 3HG PRO 74 -10.175 0.770 -4.130 87 1HD PRO 74 2HD PRO 74 -9.553 2.816 -5.791 88 2HD PRO 74 3HD PRO 74 -8.336 2.031 -4.758 89 H SER 75 HN SER 75 -6.792 -1.790 -7.752 90 HA SER 75 HA SER 75 -8.568 -2.197 -10.066 91 1HB SER 75 2HB SER 75 -6.127 -0.982 -10.224 92 2HB SER 75 3HB SER 75 -5.690 -2.665 -10.518 93 HG SER 75 HG SER 75 -7.508 -2.595 -12.091 94 H HIS 76 HN HIS 76 -6.073 -3.581 -7.974 95 HA HIS 76 HA HIS 76 -6.467 -6.248 -8.985 96 1HB HIS 76 2HB HIS 76 -4.712 -4.956 -6.962 97 2HB HIS 76 3HB HIS 76 -5.068 -6.664 -6.727 98 HD1 HIS 76 1HD HIS 76 -2.269 -6.381 -7.205 99 HD2 HIS 76 2HD HIS 76 -4.916 -6.315 -10.406 100 HE1 HIS 76 1HE HIS 76 -0.889 -6.949 -9.229 101 HE2 HIS 76 2HE HIS 76 -2.494 -6.814 -11.166 102 H ASP 77 HN ASP 77 -7.191 -8.043 -7.669 103 HA ASP 77 HA ASP 77 -9.647 -7.510 -6.372 104 1HB ASP 77 2HB ASP 77 -7.954 -10.006 -6.543 105 2HB ASP 77 3HB ASP 77 -9.532 -9.967 -5.761 106 H GLY 78 HN GLY 78 -10.220 -7.480 -4.230 107 1HA GLY 78 1HA GLY 78 -9.971 -7.271 -1.953 108 2HA GLY 78 2HA GLY 78 -8.547 -8.288 -2.102 109 H ASP 79 HN ASP 79 -9.075 -5.135 -3.620 110 HA ASP 79 HA ASP 79 -6.740 -4.151 -2.132 111 1HB ASP 79 2HB ASP 79 -7.879 -3.332 -4.802 112 2HB ASP 79 3HB ASP 79 -6.609 -2.436 -3.976 113 H LEU 80 HN LEU 80 -6.726 -1.952 -1.434 114 HA LEU 80 HA LEU 80 -9.415 -0.951 -0.781 115 1HB LEU 80 2HB LEU 80 -8.491 -1.377 1.283 116 2HB LEU 80 3HB LEU 80 -6.858 -1.063 0.741 117 HG LEU 80 HG LEU 80 -7.467 1.387 0.690 118 1HD1 LEU 80 1HD1 LEU 80 -9.994 0.234 1.691 119 2HD1 LEU 80 2HD1 LEU 80 -9.422 1.698 2.494 120 3HD1 LEU 80 3HD1 LEU 80 -9.707 1.700 0.753 121 1HD2 LEU 80 1HD2 LEU 80 -6.125 0.398 2.469 122 2HD2 LEU 80 2HD2 LEU 80 -7.187 1.657 3.101 123 3HD2 LEU 80 3HD2 LEU 80 -7.595 -0.042 3.339 124 H GLY 81 HN GLY 81 -9.981 1.032 -1.460 125 1HA GLY 81 1HA GLY 81 -7.986 2.538 -2.986 126 2HA GLY 81 2HA GLY 81 -9.721 2.741 -3.099 127 H PHE 82 HN PHE 82 -7.572 4.704 -2.672 128 HA PHE 82 HA PHE 82 -8.810 6.072 -0.435 129 1HB PHE 82 2HB PHE 82 -6.410 6.669 0.379 130 2HB PHE 82 3HB PHE 82 -7.126 5.138 0.858 131 HD1 PHE 82 1HD PHE 82 -6.560 3.094 -0.656 132 HD2 PHE 82 2HD PHE 82 -4.317 6.701 -0.574 133 HE1 PHE 82 1HE PHE 82 -4.625 1.910 -1.605 134 HE2 PHE 82 2HE PHE 82 -2.369 5.518 -1.518 135 HZ PHE 82 HZ PHE 82 -2.527 3.119 -2.032 136 H GLU 83 HN GLU 83 -7.539 8.283 -0.165 137 HA GLU 83 HA GLU 83 -7.307 9.379 -2.887 138 1HB GLU 83 2HB GLU 83 -8.669 10.246 -0.465 139 2HB GLU 83 3HB GLU 83 -7.644 11.504 -1.134 140 1HG GLU 83 2HG GLU 83 -8.953 10.494 -3.338 141 2HG GLU 83 3HG GLU 83 -10.179 10.469 -2.071 142 H LYS 84 HN LYS 84 -6.012 11.587 -2.744 143 HA LYS 84 HA LYS 84 -3.343 10.856 -1.977 144 1HB LYS 84 2HB LYS 84 -3.385 12.096 -3.939 145 2HB LYS 84 3HB LYS 84 -4.610 13.197 -3.340 146 1HG LYS 84 2HG LYS 84 -2.686 13.900 -1.679 147 2HG LYS 84 3HG LYS 84 -1.662 13.221 -2.942 148 1HD LYS 84 2HD LYS 84 -3.219 14.700 -4.482 149 2HD LYS 84 3HD LYS 84 -3.410 15.623 -2.992 150 1HE LYS 84 2HE LYS 84 -0.654 14.851 -3.735 151 2HE LYS 84 3HE LYS 84 -1.434 16.057 -4.755 152 1HZ LYS 84 1HZ LYS 84 -0.697 16.221 -1.917 153 2HZ LYS 84 2HZ LYS 84 -2.011 17.129 -2.472 154 3HZ LYS 84 3HZ LYS 84 -0.479 17.359 -3.151 155 H GLY 85 HN GLY 85 -2.226 11.486 -0.202 156 1HA GLY 85 1HA GLY 85 -1.764 12.564 1.810 157 2HA GLY 85 2HA GLY 85 -3.115 13.656 1.493 158 H GLU 86 HN GLU 86 -4.482 10.777 1.016 159 HA GLU 86 HA GLU 86 -5.959 10.737 3.387 160 1HB GLU 86 2HB GLU 86 -6.178 9.540 0.956 161 2HB GLU 86 3HB GLU 86 -5.621 8.188 1.924 162 1HG GLU 86 2HG GLU 86 -8.223 9.112 1.606 163 2HG GLU 86 3HG GLU 86 -7.653 7.844 2.670 164 H GLN 87 HN GLN 87 -6.038 8.833 4.881 165 HA GLN 87 HA GLN 87 -3.319 7.850 5.418 166 1HB GLN 87 2HB GLN 87 -5.301 8.436 7.594 167 2HB GLN 87 3HB GLN 87 -3.580 8.138 7.742 168 1HG GLN 87 2HG GLN 87 -3.026 10.254 7.288 169 2HG GLN 87 3HG GLN 87 -4.292 10.437 6.079 170 1HE2 GLN 87 1HE2 GLN 87 -4.029 9.935 9.584 171 2HE2 GLN 87 2HE2 GLN 87 -5.224 11.105 10.014 172 H LEU 88 HN LEU 88 -3.089 5.844 6.212 173 HA LEU 88 HA LEU 88 -5.416 4.129 6.580 174 1HB LEU 88 2HB LEU 88 -3.292 2.995 4.860 175 2HB LEU 88 3HB LEU 88 -5.009 2.655 4.891 176 HG LEU 88 HG LEU 88 -4.400 5.338 3.904 177 1HD1 LEU 88 1HD1 LEU 88 -3.706 3.241 1.948 178 2HD1 LEU 88 2HD1 LEU 88 -3.106 4.893 2.109 179 3HD1 LEU 88 3HD1 LEU 88 -2.490 3.624 3.170 180 1HD2 LEU 88 1HD2 LEU 88 -6.019 4.746 2.257 181 2HD2 LEU 88 2HD2 LEU 88 -5.856 3.027 2.643 182 3HD2 LEU 88 3HD2 LEU 88 -6.589 4.132 3.812 183 H ARG 89 HN ARG 89 -5.092 2.801 8.210 184 HA ARG 89 HA ARG 89 -2.521 2.718 9.476 185 1HB ARG 89 2HB ARG 89 -4.362 2.862 10.949 186 2HB ARG 89 3HB ARG 89 -5.231 1.576 10.122 187 1HG ARG 89 2HG ARG 89 -3.675 -0.050 10.925 188 2HG ARG 89 3HG ARG 89 -2.679 1.210 11.638 189 1HD ARG 89 2HD ARG 89 -4.808 1.848 12.925 190 2HD ARG 89 3HD ARG 89 -5.377 0.246 12.492 191 HE ARG 89 HE ARG 89 -2.765 0.338 13.727 192 1HH1 ARG 89 2HH1 ARG 89 -6.203 0.001 14.237 193 2HH1 ARG 89 1HH1 ARG 89 -6.024 -0.800 15.762 194 1HH2 ARG 89 2HH2 ARG 89 -2.531 -0.714 15.734 195 2HH2 ARG 89 1HH2 ARG 89 -3.941 -1.205 16.612 196 H ILE 90 HN ILE 90 -1.071 1.525 8.472 197 HA ILE 90 HA ILE 90 -1.563 -0.649 6.803 198 HB ILE 90 HB ILE 90 1.012 -0.121 8.288 199 1HG1 ILE 90 2HG1 ILE 90 0.182 1.879 7.105 200 2HG1 ILE 90 3HG1 ILE 90 1.660 1.264 6.397 201 1HG2 ILE 90 1HG2 ILE 90 1.987 -1.652 6.985 202 2HG2 ILE 90 2HG2 ILE 90 0.349 -2.236 6.687 203 3HG2 ILE 90 3HG2 ILE 90 1.106 -1.120 5.551 204 1HD1 ILE 90 1HD1 ILE 90 0.666 1.207 4.427 205 2HD1 ILE 90 2HD1 ILE 90 -0.501 0.040 5.052 206 3HD1 ILE 90 3HD1 ILE 90 -0.840 1.768 5.156 207 H LEU 91 HN LEU 91 -2.409 -2.472 7.295 208 HA LEU 91 HA LEU 91 -2.242 -3.655 9.918 209 1HB LEU 91 2HB LEU 91 -3.301 -4.904 7.389 210 2HB LEU 91 3HB LEU 91 -3.737 -5.296 9.042 211 HG LEU 91 HG LEU 91 -4.392 -2.736 7.585 212 1HD1 LEU 91 1HD1 LEU 91 -5.914 -4.146 6.687 213 2HD1 LEU 91 2HD1 LEU 91 -5.916 -5.226 8.083 214 3HD1 LEU 91 3HD1 LEU 91 -6.776 -3.685 8.155 215 1HD2 LEU 91 1HD2 LEU 91 -4.453 -1.888 9.660 216 2HD2 LEU 91 2HD2 LEU 91 -5.973 -2.772 9.795 217 3HD2 LEU 91 3HD2 LEU 91 -4.481 -3.481 10.418 218 H GLU 92 HN GLU 92 -1.169 -4.373 6.647 219 HA GLU 92 HA GLU 92 1.116 -5.819 7.720 220 1HB GLU 92 2HB GLU 92 -1.088 -7.107 6.460 221 2HB GLU 92 3HB GLU 92 0.296 -7.200 5.377 222 1HG GLU 92 2HG GLU 92 1.093 -8.869 6.577 223 2HG GLU 92 3HG GLU 92 1.265 -7.758 7.939 224 H GLN 93 HN GLN 93 2.958 -5.456 6.615 225 HA GLN 93 HA GLN 93 2.725 -3.926 4.129 226 1HB GLN 93 2HB GLN 93 4.999 -2.943 5.012 227 2HB GLN 93 3HB GLN 93 3.458 -2.270 5.515 228 1HG GLN 93 2HG GLN 93 3.561 -3.796 7.479 229 2HG GLN 93 3HG GLN 93 5.194 -4.168 6.982 230 1HE2 GLN 93 1HE2 GLN 93 6.205 -1.792 6.234 231 2HE2 GLN 93 2HE2 GLN 93 6.238 -0.693 7.567 232 H SER 94 HN SER 94 3.008 -6.722 4.288 233 HA SER 94 HA SER 94 5.797 -7.204 3.547 234 1HB SER 94 2HB SER 94 4.321 -9.594 3.321 235 2HB SER 94 3HB SER 94 5.448 -9.152 4.603 236 HG SER 94 HG SER 94 3.764 -8.378 5.808 237 H GLY 95 HN GLY 95 6.375 -7.207 1.481 238 1HA GLY 95 1HA GLY 95 6.198 -7.815 -0.797 239 2HA GLY 95 2HA GLY 95 4.486 -8.111 -0.554 240 H GLU 96 HN GLU 96 5.567 -6.752 -2.715 241 HA GLU 96 HA GLU 96 5.701 -4.015 -2.650 242 1HB GLU 96 2HB GLU 96 6.144 -4.739 -4.743 243 2HB GLU 96 3HB GLU 96 4.976 -6.050 -4.638 244 1HG GLU 96 2HG GLU 96 3.191 -4.593 -5.078 245 2HG GLU 96 3HG GLU 96 4.240 -3.179 -5.003 246 H TRP 97 HN TRP 97 2.934 -5.978 -2.028 247 HA TRP 97 HA TRP 97 1.213 -3.595 -2.156 248 1HB TRP 97 2HB TRP 97 0.637 -6.517 -2.542 249 2HB TRP 97 3HB TRP 97 -0.646 -5.392 -2.110 250 HD1 TRP 97 1HD TRP 97 1.735 -6.254 -4.983 251 HE1 TRP 97 1HE TRP 97 0.889 -5.110 -7.128 252 HE3 TRP 97 3HE TRP 97 -2.030 -3.448 -2.973 253 HZ2 TRP 97 2HZ TRP 97 -1.110 -3.255 -7.866 254 HZ3 TRP 97 3HZ TRP 97 -3.360 -2.015 -4.457 255 HH2 TRP 97 2HH TRP 97 -2.906 -1.917 -6.855 256 H TRP 98 HN TRP 98 0.885 -2.713 -0.226 257 HA TRP 98 HA TRP 98 1.108 -4.361 2.171 258 1HB TRP 98 2HB TRP 98 1.080 -1.382 1.741 259 2HB TRP 98 3HB TRP 98 1.001 -2.114 3.336 260 HD1 TRP 98 1HD TRP 98 3.217 -4.229 1.349 261 HE1 TRP 98 1HE TRP 98 5.687 -3.675 1.825 262 HE3 TRP 98 3HE TRP 98 2.579 0.207 3.760 263 HZ2 TRP 98 2HZ TRP 98 7.170 -1.598 3.055 264 HZ3 TRP 98 3HZ TRP 98 4.560 1.432 4.555 265 HH2 TRP 98 2HH TRP 98 6.811 0.542 4.212 266 H LYS 99 HN LYS 99 -0.476 -4.687 3.618 267 HA LYS 99 HA LYS 99 -3.199 -4.109 2.798 268 1HB LYS 99 2HB LYS 99 -2.739 -6.340 3.651 269 2HB LYS 99 3HB LYS 99 -2.050 -5.670 5.120 270 1HG LYS 99 2HG LYS 99 -4.453 -6.627 5.157 271 2HG LYS 99 3HG LYS 99 -4.103 -5.119 6.004 272 1HD LYS 99 2HD LYS 99 -5.115 -3.823 4.391 273 2HD LYS 99 3HD LYS 99 -5.062 -5.104 3.176 274 1HE LYS 99 2HE LYS 99 -6.548 -5.991 5.462 275 2HE LYS 99 3HE LYS 99 -7.177 -4.441 4.912 276 1HZ LYS 99 1HZ LYS 99 -7.364 -7.027 3.685 277 2HZ LYS 99 2HZ LYS 99 -6.838 -5.833 2.609 278 3HZ LYS 99 3HZ LYS 99 -8.304 -5.642 3.433 279 H ALA 100 HN ALA 100 -4.025 -2.167 3.339 280 HA ALA 100 HA ALA 100 -3.233 -1.038 5.945 281 1HB ALA 100 1HB ALA 100 -3.071 1.069 5.088 282 2HB ALA 100 2HB ALA 100 -2.571 0.131 3.678 283 3HB ALA 100 3HB ALA 100 -4.221 0.753 3.785 284 H GLN 101 HN GLN 101 -4.763 -0.125 7.238 285 HA GLN 101 HA GLN 101 -7.543 -0.602 6.407 286 1HB GLN 101 2HB GLN 101 -7.042 -1.901 8.362 287 2HB GLN 101 3HB GLN 101 -6.310 -0.528 9.170 288 1HG GLN 101 2HG GLN 101 -8.586 0.538 8.978 289 2HG GLN 101 3HG GLN 101 -9.202 -1.047 8.580 290 1HE2 GLN 101 1HE2 GLN 101 -7.578 0.859 11.034 291 2HE2 GLN 101 2HE2 GLN 101 -8.010 -0.142 12.372 292 H SER 102 HN SER 102 -8.401 1.207 5.709 293 HA SER 102 HA SER 102 -7.435 3.755 5.980 294 1HB SER 102 2HB SER 102 -9.843 2.476 5.049 295 2HB SER 102 3HB SER 102 -10.212 3.986 5.839 296 HG SER 102 HG SER 102 -9.620 4.871 4.036 297 H LEU 103 HN LEU 103 -8.556 5.597 7.144 298 HA LEU 103 HA LEU 103 -9.300 4.722 9.857 299 1HB LEU 103 2HB LEU 103 -7.388 6.859 9.009 300 2HB LEU 103 3HB LEU 103 -8.123 6.852 10.598 301 HG LEU 103 HG LEU 103 -7.216 4.283 10.414 302 1HD1 LEU 103 1HD1 LEU 103 -4.831 4.571 9.634 303 2HD1 LEU 103 2HD1 LEU 103 -6.079 4.501 8.388 304 3HD1 LEU 103 3HD1 LEU 103 -5.379 6.053 8.849 305 1HD2 LEU 103 1HD2 LEU 103 -5.740 4.811 12.094 306 2HD2 LEU 103 2HD2 LEU 103 -5.352 6.392 11.405 307 3HD2 LEU 103 3HD2 LEU 103 -6.905 6.135 12.203 308 H THR 104 HN THR 104 -9.939 6.832 7.221 309 HA THR 104 HA THR 104 -11.749 8.521 8.709 310 HB THR 104 HB THR 104 -11.643 8.318 5.715 311 HG1 THR 104 1HG THR 104 -9.736 9.580 7.390 312 1HG2 THR 104 1HG2 THR 104 -11.781 10.826 6.004 313 2HG2 THR 104 2HG2 THR 104 -12.172 10.483 7.691 314 3HG2 THR 104 3HG2 THR 104 -13.213 9.875 6.402 315 H THR 105 HN THR 105 -11.795 5.902 6.427 316 HA THR 105 HA THR 105 -14.692 5.499 6.750 317 HB THR 105 HB THR 105 -14.712 4.676 4.626 318 HG1 THR 105 1HG THR 105 -11.975 4.010 4.785 319 1HG2 THR 105 1HG2 THR 105 -13.893 6.922 4.325 320 2HG2 THR 105 2HG2 THR 105 -13.185 5.849 3.117 321 3HG2 THR 105 3HG2 THR 105 -12.234 6.352 4.516 322 H GLY 106 HN GLY 106 -11.556 4.110 6.864 323 1HA GLY 106 1HA GLY 106 -10.660 2.460 8.100 324 2HA GLY 106 2HA GLY 106 -12.238 2.087 8.736 325 H GLN 107 HN GLN 107 -12.515 2.166 5.436 326 HA GLN 107 HA GLN 107 -13.026 -0.493 5.102 327 1HB GLN 107 2HB GLN 107 -12.346 1.742 3.308 328 2HB GLN 107 3HB GLN 107 -12.388 0.124 2.633 329 1HG GLN 107 2HG GLN 107 -14.566 0.475 2.383 330 2HG GLN 107 3HG GLN 107 -14.650 0.196 4.121 331 1HE2 GLN 107 1HE2 GLN 107 -14.035 2.793 1.786 332 2HE2 GLN 107 2HE2 GLN 107 -14.874 4.020 2.667 333 H GLU 108 HN GLU 108 -11.839 -2.222 5.121 334 HA GLU 108 HA GLU 108 -8.944 -1.985 5.090 335 1HB GLU 108 2HB GLU 108 -10.664 -4.418 5.546 336 2HB GLU 108 3HB GLU 108 -8.939 -4.308 5.811 337 1HG GLU 108 2HG GLU 108 -9.222 -3.476 7.827 338 2HG GLU 108 3HG GLU 108 -10.324 -2.236 7.240 339 H GLY 109 HN GLY 109 -7.563 -2.949 3.651 340 1HA GLY 109 1HA GLY 109 -8.201 -4.791 1.668 341 2HA GLY 109 2HA GLY 109 -8.464 -3.200 0.976 342 H PHE 110 HN PHE 110 -6.664 -4.537 -0.315 343 HA PHE 110 HA PHE 110 -4.017 -4.137 0.780 344 1HB PHE 110 2HB PHE 110 -5.223 -5.607 -1.479 345 2HB PHE 110 3HB PHE 110 -3.617 -4.968 -1.766 346 HD1 PHE 110 1HD PHE 110 -2.080 -6.673 -1.612 347 HD2 PHE 110 2HD PHE 110 -5.237 -6.465 1.237 348 HE1 PHE 110 1HE PHE 110 -1.112 -8.586 -0.405 349 HE2 PHE 110 2HE PHE 110 -4.273 -8.377 2.449 350 HZ PHE 110 HZ PHE 110 -2.207 -9.440 1.628 351 H ILE 111 HN ILE 111 -2.504 -2.686 -0.002 352 HA ILE 111 HA ILE 111 -3.393 -0.817 -2.088 353 HB ILE 111 HB ILE 111 -2.586 1.100 -0.802 354 1HG1 ILE 111 2HG1 ILE 111 -2.460 -0.557 1.687 355 2HG1 ILE 111 3HG1 ILE 111 -1.078 -0.544 0.601 356 1HG2 ILE 111 1HG2 ILE 111 -4.973 0.190 -0.681 357 2HG2 ILE 111 2HG2 ILE 111 -4.544 -0.345 0.945 358 3HG2 ILE 111 3HG2 ILE 111 -4.472 1.368 0.530 359 1HD1 ILE 111 1HD1 ILE 111 -1.488 2.086 0.804 360 2HD1 ILE 111 2HD1 ILE 111 -2.105 1.562 2.372 361 3HD1 ILE 111 3HD1 ILE 111 -0.451 1.169 1.900 362 HA PRO 112 HA PRO 112 0.598 -1.223 -3.853 363 1HB PRO 112 2HB PRO 112 0.884 1.435 -4.647 364 2HB PRO 112 3HB PRO 112 0.098 0.163 -5.584 365 1HG PRO 112 2HG PRO 112 -1.116 2.261 -3.863 366 2HG PRO 112 3HG PRO 112 -1.713 1.555 -5.362 367 1HD PRO 112 2HD PRO 112 -2.717 0.887 -2.973 368 2HD PRO 112 3HD PRO 112 -2.596 -0.274 -4.300 369 H PHE 113 HN PHE 113 2.322 -1.439 -2.535 370 HA PHE 113 HA PHE 113 2.812 0.024 -0.237 371 1HB PHE 113 2HB PHE 113 4.832 -1.138 -0.051 372 2HB PHE 113 3HB PHE 113 3.815 -2.218 -0.999 373 HD1 PHE 113 1HD PHE 113 4.049 -0.904 -3.672 374 HD2 PHE 113 2HD PHE 113 6.978 -1.746 -0.703 375 HE1 PHE 113 1HE PHE 113 5.785 -0.979 -5.413 376 HE2 PHE 113 2HE PHE 113 8.720 -1.825 -2.438 377 HZ PHE 113 HZ PHE 113 8.124 -1.441 -4.797 378 H ASN 114 HN ASN 114 3.430 0.949 -3.496 379 HA ASN 114 HA ASN 114 5.282 3.053 -2.629 380 1HB ASN 114 2HB ASN 114 5.523 3.405 -5.149 381 2HB ASN 114 3HB ASN 114 6.174 1.908 -4.492 382 1HD2 ASN 114 1HD2 ASN 114 4.754 3.012 -7.088 383 2HD2 ASN 114 2HD2 ASN 114 3.746 1.679 -7.529 384 H PHE 115 HN PHE 115 2.483 3.186 -1.981 385 HA PHE 115 HA PHE 115 1.679 5.542 -3.568 386 1HB PHE 115 2HB PHE 115 0.300 3.151 -3.201 387 2HB PHE 115 3HB PHE 115 -0.476 4.265 -2.091 388 HD1 PHE 115 1HD PHE 115 -1.418 6.415 -2.998 389 HD2 PHE 115 2HD PHE 115 -0.113 3.233 -5.501 390 HE1 PHE 115 1HE PHE 115 -2.772 7.310 -4.838 391 HE2 PHE 115 2HE PHE 115 -1.464 4.126 -7.345 392 HZ PHE 115 HZ PHE 115 -2.795 6.172 -7.021 393 H VAL 116 HN VAL 116 2.016 4.122 -0.383 394 HA VAL 116 HA VAL 116 1.085 6.632 0.824 395 HB VAL 116 HB VAL 116 0.815 5.355 2.905 396 1HG1 VAL 116 1HG1 VAL 116 -1.197 5.474 1.854 397 2HG1 VAL 116 2HG1 VAL 116 -0.610 4.669 0.399 398 3HG1 VAL 116 3HG1 VAL 116 -0.975 3.725 1.843 399 1HG2 VAL 116 1HG2 VAL 116 2.035 3.482 3.110 400 2HG2 VAL 116 2HG2 VAL 116 0.778 2.708 2.145 401 3HG2 VAL 116 3HG2 VAL 116 2.234 3.323 1.365 402 H ALA 117 HN ALA 117 2.184 7.663 2.412 403 HA ALA 117 HA ALA 117 4.909 6.788 3.048 404 1HB ALA 117 1HB ALA 117 4.899 8.519 1.195 405 2HB ALA 117 2HB ALA 117 4.258 9.654 2.384 406 3HB ALA 117 3HB ALA 117 5.846 8.926 2.626 407 H LYS 118 HN LYS 118 5.498 7.212 5.162 408 HA LYS 118 HA LYS 118 3.719 7.303 7.173 409 1HB LYS 118 2HB LYS 118 6.537 7.823 6.929 410 2HB LYS 118 3HB LYS 118 5.842 8.889 8.139 411 1HG LYS 118 2HG LYS 118 6.756 6.635 8.912 412 2HG LYS 118 3HG LYS 118 5.156 7.113 9.485 413 1HD LYS 118 2HD LYS 118 4.084 5.536 8.233 414 2HD LYS 118 3HD LYS 118 5.318 5.541 6.973 415 1HE LYS 118 2HE LYS 118 5.801 3.527 7.908 416 2HE LYS 118 3HE LYS 118 6.783 4.546 8.959 417 1HZ LYS 118 1HZ LYS 118 5.064 2.786 9.896 418 2HZ LYS 118 2HZ LYS 118 4.012 4.102 9.753 419 3HZ LYS 118 3HZ LYS 118 5.402 4.232 10.707 420 H ALA 119 HN ALA 119 2.565 8.732 8.363 421 HA ALA 119 HA ALA 119 1.842 11.207 7.146 422 1HB ALA 119 1HB ALA 119 0.674 11.478 9.509 423 2HB ALA 119 2HB ALA 119 0.038 10.381 8.285 424 3HB ALA 119 3HB ALA 119 1.021 9.754 9.613 425 H ASN 120 HN ASN 120 4.472 11.494 7.408 426 HA ASN 120 HA ASN 120 4.836 13.272 9.728 427 1HB ASN 120 2HB ASN 120 6.401 11.118 8.929 428 2HB ASN 120 3HB ASN 120 7.292 12.523 8.350 429 1HD2 ASN 120 1HD2 ASN 120 7.550 14.295 9.981 430 2HD2 ASN 120 2HD2 ASN 120 7.902 13.822 11.605 Start of MODEL 23 1 H ASN 64 HN ASN 64 1.554 2.866 12.803 2 HA ASN 64 HA ASN 64 3.583 2.074 10.896 3 1HB ASN 64 2HB ASN 64 1.401 0.206 11.784 4 2HB ASN 64 3HB ASN 64 2.003 0.144 10.134 5 1HD2 ASN 64 1HD2 ASN 64 2.194 -1.993 11.873 6 2HD2 ASN 64 2HD2 ASN 64 3.860 -2.278 12.232 7 H LEU 65 HN LEU 65 1.346 4.128 11.545 8 HA LEU 65 HA LEU 65 -0.392 3.825 9.280 9 1HB LEU 65 2HB LEU 65 -1.438 4.817 11.093 10 2HB LEU 65 3HB LEU 65 -0.120 5.913 11.408 11 HG LEU 65 HG LEU 65 -0.688 7.131 9.380 12 1HD1 LEU 65 1HD1 LEU 65 -1.841 6.123 7.784 13 2HD1 LEU 65 2HD1 LEU 65 -2.241 4.795 8.876 14 3HD1 LEU 65 3HD1 LEU 65 -3.272 6.223 8.811 15 1HD2 LEU 65 1HD2 LEU 65 -1.660 7.926 11.427 16 2HD2 LEU 65 2HD2 LEU 65 -2.872 8.046 10.151 17 3HD2 LEU 65 3HD2 LEU 65 -2.951 6.730 11.321 18 H VAL 66 HN VAL 66 -0.416 4.929 7.472 19 HA VAL 66 HA VAL 66 1.855 6.711 6.893 20 HB VAL 66 HB VAL 66 1.638 5.799 4.542 21 1HG1 VAL 66 1HG1 VAL 66 2.994 3.715 5.199 22 2HG1 VAL 66 2HG1 VAL 66 3.611 5.297 5.676 23 3HG1 VAL 66 3HG1 VAL 66 2.774 4.285 6.855 24 1HG2 VAL 66 1HG2 VAL 66 0.852 3.430 4.435 25 2HG2 VAL 66 2HG2 VAL 66 0.165 3.654 6.045 26 3HG2 VAL 66 3HG2 VAL 66 -0.428 4.616 4.691 27 H ILE 67 HN ILE 67 1.399 7.692 4.567 28 HA ILE 67 HA ILE 67 -1.371 8.517 4.322 29 HB ILE 67 HB ILE 67 0.683 10.227 5.415 30 1HG1 ILE 67 2HG1 ILE 67 -2.261 10.432 4.872 31 2HG1 ILE 67 3HG1 ILE 67 -1.480 10.016 6.369 32 1HG2 ILE 67 1HG2 ILE 67 1.090 11.016 3.170 33 2HG2 ILE 67 2HG2 ILE 67 -0.641 11.195 2.882 34 3HG2 ILE 67 3HG2 ILE 67 0.169 12.237 4.050 35 1HD1 ILE 67 1HD1 ILE 67 -0.598 12.597 5.556 36 2HD1 ILE 67 2HD1 ILE 67 -2.362 12.531 5.505 37 3HD1 ILE 67 3HD1 ILE 67 -1.507 12.134 6.996 38 H ALA 68 HN ALA 68 -1.992 8.446 2.315 39 HA ALA 68 HA ALA 68 -0.316 7.664 0.218 40 1HB ALA 68 1HB ALA 68 -2.721 8.988 -0.713 41 2HB ALA 68 2HB ALA 68 -2.225 7.303 -0.859 42 3HB ALA 68 3HB ALA 68 -3.039 7.859 0.604 43 H LEU 69 HN LEU 69 0.350 8.708 -1.665 44 HA LEU 69 HA LEU 69 0.589 11.639 -1.456 45 1HB LEU 69 2HB LEU 69 2.550 9.598 -2.489 46 2HB LEU 69 3HB LEU 69 2.725 11.321 -2.767 47 HG LEU 69 HG LEU 69 2.694 9.987 -0.056 48 1HD1 LEU 69 1HD1 LEU 69 5.106 10.983 -0.123 49 2HD1 LEU 69 2HD1 LEU 69 4.779 9.426 -0.881 50 3HD1 LEU 69 3HD1 LEU 69 4.899 10.883 -1.870 51 1HD2 LEU 69 1HD2 LEU 69 1.777 12.205 0.083 52 2HD2 LEU 69 2HD2 LEU 69 3.416 12.228 0.732 53 3HD2 LEU 69 3HD2 LEU 69 3.098 12.858 -0.884 54 H HIS 70 HN HIS 70 -1.214 9.555 -2.956 55 HA HIS 70 HA HIS 70 -1.621 11.142 -5.278 56 1HB HIS 70 2HB HIS 70 -1.184 8.683 -6.553 57 2HB HIS 70 3HB HIS 70 -0.220 10.143 -6.717 58 HD1 HIS 70 1HD HIS 70 2.006 8.943 -6.981 59 HD2 HIS 70 2HD HIS 70 0.013 7.917 -3.487 60 HE1 HIS 70 1HE HIS 70 3.679 7.675 -5.605 61 HE2 HIS 70 2HE HIS 70 2.503 7.228 -3.425 62 H SER 71 HN SER 71 -3.618 10.762 -6.188 63 HA SER 71 HA SER 71 -5.547 9.420 -4.671 64 1HB SER 71 2HB SER 71 -6.089 9.742 -7.571 65 2HB SER 71 3HB SER 71 -7.061 10.223 -6.183 66 HG SER 71 HG SER 71 -5.078 11.611 -7.535 67 H TYR 72 HN TYR 72 -6.040 7.335 -4.487 68 HA TYR 72 HA TYR 72 -4.917 5.481 -6.474 69 1HB TYR 72 2HB TYR 72 -4.291 5.181 -4.065 70 2HB TYR 72 3HB TYR 72 -5.969 4.790 -3.734 71 HD1 TYR 72 1HD TYR 72 -6.146 2.539 -3.279 72 HD2 TYR 72 2HD TYR 72 -3.648 3.778 -6.491 73 HE1 TYR 72 1HE TYR 72 -5.741 0.188 -3.866 74 HE2 TYR 72 2HE TYR 72 -3.245 1.430 -7.088 75 HH TYR 72 HH TYR 72 -5.086 -1.117 -5.866 76 H GLU 73 HN GLU 73 -6.074 3.846 -7.394 77 HA GLU 73 HA GLU 73 -8.958 3.768 -6.978 78 1HB GLU 73 2HB GLU 73 -7.633 4.812 -9.250 79 2HB GLU 73 3HB GLU 73 -8.450 3.338 -9.724 80 1HG GLU 73 2HG GLU 73 -10.549 4.184 -9.038 81 2HG GLU 73 3HG GLU 73 -9.791 5.542 -8.206 82 HA PRO 74 HA PRO 74 -7.361 -0.445 -6.193 83 1HB PRO 74 2HB PRO 74 -10.167 -1.134 -6.182 84 2HB PRO 74 3HB PRO 74 -9.034 -1.086 -4.832 85 1HG PRO 74 2HG PRO 74 -10.979 0.938 -5.705 86 2HG PRO 74 3HG PRO 74 -10.206 0.724 -4.126 87 1HD PRO 74 2HD PRO 74 -9.563 2.772 -5.777 88 2HD PRO 74 3HD PRO 74 -8.359 1.985 -4.730 89 H SER 75 HN SER 75 -6.867 -1.972 -7.606 90 HA SER 75 HA SER 75 -8.564 -2.337 -9.980 91 1HB SER 75 2HB SER 75 -6.160 -1.102 -10.148 92 2HB SER 75 3HB SER 75 -5.659 -2.782 -10.341 93 HG SER 75 HG SER 75 -7.425 -2.855 -11.970 94 H HIS 76 HN HIS 76 -6.079 -3.721 -7.866 95 HA HIS 76 HA HIS 76 -6.487 -6.390 -8.871 96 1HB HIS 76 2HB HIS 76 -4.665 -5.070 -6.974 97 2HB HIS 76 3HB HIS 76 -5.119 -6.708 -6.516 98 HD1 HIS 76 1HD HIS 76 -4.653 -5.667 -10.102 99 HD2 HIS 76 2HD HIS 76 -2.681 -7.844 -7.163 100 HE1 HIS 76 1HE HIS 76 -2.764 -6.833 -11.282 101 HE2 HIS 76 2HE HIS 76 -1.636 -8.209 -9.499 102 H ASP 77 HN ASP 77 -7.199 -8.182 -7.535 103 HA ASP 77 HA ASP 77 -9.657 -7.638 -6.236 104 1HB ASP 77 2HB ASP 77 -9.544 -10.097 -5.625 105 2HB ASP 77 3HB ASP 77 -9.446 -9.734 -7.345 106 H GLY 78 HN GLY 78 -10.159 -7.367 -4.133 107 1HA GLY 78 1HA GLY 78 -9.911 -7.265 -1.839 108 2HA GLY 78 2HA GLY 78 -8.464 -8.246 -2.002 109 H ASP 79 HN ASP 79 -9.019 -5.159 -3.608 110 HA ASP 79 HA ASP 79 -6.713 -4.089 -2.142 111 1HB ASP 79 2HB ASP 79 -7.930 -3.306 -4.792 112 2HB ASP 79 3HB ASP 79 -6.651 -2.390 -3.999 113 H LEU 80 HN LEU 80 -6.737 -1.897 -1.451 114 HA LEU 80 HA LEU 80 -9.432 -0.929 -0.770 115 1HB LEU 80 2HB LEU 80 -8.490 -1.354 1.287 116 2HB LEU 80 3HB LEU 80 -6.863 -1.027 0.733 117 HG LEU 80 HG LEU 80 -7.478 1.417 0.702 118 1HD1 LEU 80 1HD1 LEU 80 -10.007 0.258 1.694 119 2HD1 LEU 80 2HD1 LEU 80 -9.441 1.726 2.492 120 3HD1 LEU 80 3HD1 LEU 80 -9.720 1.719 0.750 121 1HD2 LEU 80 1HD2 LEU 80 -7.221 1.674 3.122 122 2HD2 LEU 80 2HD2 LEU 80 -7.605 -0.034 3.340 123 3HD2 LEU 80 3HD2 LEU 80 -6.138 0.438 2.482 124 H GLY 81 HN GLY 81 -10.011 1.071 -1.421 125 1HA GLY 81 1HA GLY 81 -8.041 2.570 -2.984 126 2HA GLY 81 2HA GLY 81 -9.777 2.781 -3.061 127 H PHE 82 HN PHE 82 -7.491 4.655 -2.613 128 HA PHE 82 HA PHE 82 -8.705 6.077 -0.384 129 1HB PHE 82 2HB PHE 82 -6.262 6.649 0.352 130 2HB PHE 82 3HB PHE 82 -7.015 5.156 0.891 131 HD1 PHE 82 1HD PHE 82 -4.139 6.556 -0.519 132 HD2 PHE 82 2HD PHE 82 -6.588 3.083 -0.699 133 HE1 PHE 82 1HE PHE 82 -2.249 5.276 -1.457 134 HE2 PHE 82 2HE PHE 82 -4.711 1.808 -1.643 135 HZ PHE 82 HZ PHE 82 -2.540 2.900 -2.016 136 H GLU 83 HN GLU 83 -7.488 8.287 -0.160 137 HA GLU 83 HA GLU 83 -7.248 9.354 -2.892 138 1HB GLU 83 2HB GLU 83 -8.630 10.234 -0.489 139 2HB GLU 83 3HB GLU 83 -7.610 11.495 -1.162 140 1HG GLU 83 2HG GLU 83 -8.895 10.454 -3.366 141 2HG GLU 83 3HG GLU 83 -10.129 10.432 -2.109 142 H LYS 84 HN LYS 84 -5.922 11.493 -2.889 143 HA LYS 84 HA LYS 84 -3.274 10.820 -2.045 144 1HB LYS 84 2HB LYS 84 -3.313 12.001 -4.051 145 2HB LYS 84 3HB LYS 84 -4.524 13.134 -3.476 146 1HG LYS 84 2HG LYS 84 -2.613 13.871 -1.837 147 2HG LYS 84 3HG LYS 84 -1.574 13.119 -3.045 148 1HD LYS 84 2HD LYS 84 -3.677 15.091 -3.847 149 2HD LYS 84 3HD LYS 84 -2.114 15.641 -3.244 150 1HE LYS 84 2HE LYS 84 -1.320 13.803 -5.051 151 2HE LYS 84 3HE LYS 84 -2.820 14.350 -5.799 152 1HZ LYS 84 1HZ LYS 84 -0.553 16.085 -4.971 153 2HZ LYS 84 2HZ LYS 84 -1.999 16.628 -5.660 154 3HZ LYS 84 3HZ LYS 84 -0.948 15.657 -6.561 155 H GLY 85 HN GLY 85 -2.302 11.320 -0.193 156 1HA GLY 85 1HA GLY 85 -1.795 12.557 1.736 157 2HA GLY 85 2HA GLY 85 -3.185 13.593 1.406 158 H GLU 86 HN GLU 86 -4.607 10.822 0.972 159 HA GLU 86 HA GLU 86 -6.011 10.725 3.362 160 1HB GLU 86 2HB GLU 86 -6.247 9.522 0.939 161 2HB GLU 86 3HB GLU 86 -5.664 8.176 1.899 162 1HG GLU 86 2HG GLU 86 -8.280 9.069 1.612 163 2HG GLU 86 3HG GLU 86 -7.682 7.812 2.672 164 H GLN 87 HN GLN 87 -6.061 8.826 4.864 165 HA GLN 87 HA GLN 87 -3.329 7.875 5.395 166 1HB GLN 87 2HB GLN 87 -5.316 8.412 7.581 167 2HB GLN 87 3HB GLN 87 -3.583 8.176 7.714 168 1HG GLN 87 2HG GLN 87 -3.115 10.313 7.277 169 2HG GLN 87 3HG GLN 87 -4.369 10.443 6.050 170 1HE2 GLN 87 1HE2 GLN 87 -4.482 9.647 9.500 171 2HE2 GLN 87 2HE2 GLN 87 -5.592 10.897 9.931 172 H LEU 88 HN LEU 88 -3.080 5.865 6.231 173 HA LEU 88 HA LEU 88 -5.397 4.133 6.579 174 1HB LEU 88 2HB LEU 88 -3.265 3.013 4.857 175 2HB LEU 88 3HB LEU 88 -4.978 2.655 4.895 176 HG LEU 88 HG LEU 88 -4.398 5.342 3.898 177 1HD1 LEU 88 1HD1 LEU 88 -3.715 3.263 1.927 178 2HD1 LEU 88 2HD1 LEU 88 -3.099 4.906 2.111 179 3HD1 LEU 88 3HD1 LEU 88 -2.489 3.614 3.149 180 1HD2 LEU 88 1HD2 LEU 88 -6.577 4.116 3.832 181 2HD2 LEU 88 2HD2 LEU 88 -6.028 4.736 2.274 182 3HD2 LEU 88 3HD2 LEU 88 -5.846 3.020 2.651 183 H ARG 89 HN ARG 89 -5.066 2.823 8.215 184 HA ARG 89 HA ARG 89 -2.488 2.739 9.468 185 1HB ARG 89 2HB ARG 89 -4.327 2.899 10.947 186 2HB ARG 89 3HB ARG 89 -5.197 1.603 10.136 187 1HG ARG 89 2HG ARG 89 -3.632 -0.012 10.945 188 2HG ARG 89 3HG ARG 89 -2.636 1.257 11.643 189 1HD ARG 89 2HD ARG 89 -4.767 1.899 12.933 190 2HD ARG 89 3HD ARG 89 -5.323 0.287 12.519 191 HE ARG 89 HE ARG 89 -2.707 0.416 13.741 192 1HH1 ARG 89 2HH1 ARG 89 -6.139 0.053 14.271 193 2HH1 ARG 89 1HH1 ARG 89 -5.946 -0.731 15.802 194 1HH2 ARG 89 2HH2 ARG 89 -2.454 -0.615 15.757 195 2HH2 ARG 89 1HH2 ARG 89 -3.855 -1.111 16.646 196 H ILE 90 HN ILE 90 -1.054 1.540 8.448 197 HA ILE 90 HA ILE 90 -1.556 -0.641 6.800 198 HB ILE 90 HB ILE 90 1.023 -0.154 8.290 199 1HG1 ILE 90 2HG1 ILE 90 0.227 1.878 7.135 200 2HG1 ILE 90 3HG1 ILE 90 1.693 1.246 6.417 201 1HG2 ILE 90 1HG2 ILE 90 0.317 -2.230 6.650 202 2HG2 ILE 90 2HG2 ILE 90 1.114 -1.111 5.543 203 3HG2 ILE 90 3HG2 ILE 90 1.965 -1.690 6.975 204 1HD1 ILE 90 1HD1 ILE 90 -0.587 0.125 5.106 205 2HD1 ILE 90 2HD1 ILE 90 -0.715 1.883 5.144 206 3HD1 ILE 90 3HD1 ILE 90 0.711 1.118 4.442 207 H LEU 91 HN LEU 91 -2.447 -2.448 7.319 208 HA LEU 91 HA LEU 91 -2.274 -3.613 9.950 209 1HB LEU 91 2HB LEU 91 -3.374 -4.896 7.457 210 2HB LEU 91 3HB LEU 91 -3.819 -5.218 9.121 211 HG LEU 91 HG LEU 91 -4.405 -2.678 7.606 212 1HD1 LEU 91 1HD1 LEU 91 -6.817 -3.694 8.235 213 2HD1 LEU 91 2HD1 LEU 91 -6.003 -3.940 6.690 214 3HD1 LEU 91 3HD1 LEU 91 -5.902 -5.176 7.943 215 1HD2 LEU 91 1HD2 LEU 91 -4.635 -1.767 9.624 216 2HD2 LEU 91 2HD2 LEU 91 -6.039 -2.811 9.841 217 3HD2 LEU 91 3HD2 LEU 91 -4.458 -3.327 10.427 218 H GLU 92 HN GLU 92 -1.240 -4.351 6.682 219 HA GLU 92 HA GLU 92 1.054 -5.813 7.712 220 1HB GLU 92 2HB GLU 92 -1.194 -7.083 6.462 221 2HB GLU 92 3HB GLU 92 0.217 -7.239 5.422 222 1HG GLU 92 2HG GLU 92 0.943 -8.893 6.687 223 2HG GLU 92 3HG GLU 92 1.093 -7.759 8.033 224 H GLN 93 HN GLN 93 2.796 -5.963 6.144 225 HA GLN 93 HA GLN 93 2.474 -4.239 3.817 226 1HB GLN 93 2HB GLN 93 4.891 -3.409 4.625 227 2HB GLN 93 3HB GLN 93 3.401 -2.581 5.032 228 1HG GLN 93 2HG GLN 93 3.311 -3.859 7.115 229 2HG GLN 93 3HG GLN 93 4.849 -4.575 6.692 230 1HE2 GLN 93 1HE2 GLN 93 6.314 -3.757 8.029 231 2HE2 GLN 93 2HE2 GLN 93 6.534 -2.079 8.373 232 H SER 94 HN SER 94 2.698 -7.051 3.919 233 HA SER 94 HA SER 94 5.424 -7.700 3.204 234 1HB SER 94 2HB SER 94 4.751 -9.689 3.964 235 2HB SER 94 3HB SER 94 3.070 -9.166 4.005 236 HG SER 94 HG SER 94 4.025 -10.967 2.452 237 H GLY 95 HN GLY 95 6.224 -7.814 1.203 238 1HA GLY 95 1HA GLY 95 6.305 -7.844 -1.111 239 2HA GLY 95 2HA GLY 95 4.606 -8.270 -1.108 240 H GLU 96 HN GLU 96 5.586 -6.681 -3.011 241 HA GLU 96 HA GLU 96 5.689 -3.966 -2.740 242 1HB GLU 96 2HB GLU 96 6.061 -4.497 -4.895 243 2HB GLU 96 3HB GLU 96 4.944 -5.856 -4.847 244 1HG GLU 96 2HG GLU 96 3.097 -4.438 -5.112 245 2HG GLU 96 3HG GLU 96 4.100 -2.997 -4.975 246 H TRP 97 HN TRP 97 2.929 -5.975 -2.204 247 HA TRP 97 HA TRP 97 1.192 -3.605 -2.181 248 1HB TRP 97 2HB TRP 97 0.621 -6.537 -2.538 249 2HB TRP 97 3HB TRP 97 -0.650 -5.397 -2.107 250 HD1 TRP 97 1HD TRP 97 1.707 -6.295 -4.991 251 HE1 TRP 97 1HE TRP 97 0.844 -5.173 -7.140 252 HE3 TRP 97 3HE TRP 97 -2.047 -3.475 -2.980 253 HZ2 TRP 97 2HZ TRP 97 -1.163 -3.328 -7.881 254 HZ3 TRP 97 3HZ TRP 97 -3.387 -2.057 -4.468 255 HH2 TRP 97 2HH TRP 97 -2.951 -1.981 -6.870 256 H TRP 98 HN TRP 98 0.788 -2.751 -0.257 257 HA TRP 98 HA TRP 98 1.116 -4.406 2.136 258 1HB TRP 98 2HB TRP 98 1.105 -1.422 1.732 259 2HB TRP 98 3HB TRP 98 1.095 -2.179 3.317 260 HD1 TRP 98 1HD TRP 98 3.194 -4.287 1.226 261 HE1 TRP 98 1HE TRP 98 5.691 -3.750 1.571 262 HE3 TRP 98 3HE TRP 98 2.705 0.153 3.654 263 HZ2 TRP 98 2HZ TRP 98 7.247 -1.678 2.725 264 HZ3 TRP 98 3HZ TRP 98 4.731 1.371 4.344 265 HH2 TRP 98 2HH TRP 98 6.959 0.468 3.892 266 H LYS 99 HN LYS 99 -0.457 -4.705 3.617 267 HA LYS 99 HA LYS 99 -3.176 -4.093 2.817 268 1HB LYS 99 2HB LYS 99 -2.748 -6.323 3.671 269 2HB LYS 99 3HB LYS 99 -2.027 -5.665 5.129 270 1HG LYS 99 2HG LYS 99 -4.431 -6.583 5.227 271 2HG LYS 99 3HG LYS 99 -4.062 -5.054 6.028 272 1HD LYS 99 2HD LYS 99 -5.091 -3.797 4.396 273 2HD LYS 99 3HD LYS 99 -5.053 -5.106 3.212 274 1HE LYS 99 2HE LYS 99 -6.520 -5.955 5.515 275 2HE LYS 99 3HE LYS 99 -7.142 -4.398 4.978 276 1HZ LYS 99 1HZ LYS 99 -7.415 -6.974 3.772 277 2HZ LYS 99 2HZ LYS 99 -6.836 -5.826 2.674 278 3HZ LYS 99 3HZ LYS 99 -8.294 -5.555 3.489 279 H ALA 100 HN ALA 100 -4.026 -2.172 3.375 280 HA ALA 100 HA ALA 100 -3.210 -1.024 5.965 281 1HB ALA 100 1HB ALA 100 -2.554 0.132 3.682 282 2HB ALA 100 2HB ALA 100 -4.197 0.770 3.811 283 3HB ALA 100 3HB ALA 100 -3.027 1.074 5.098 284 H GLN 101 HN GLN 101 -4.740 -0.115 7.261 285 HA GLN 101 HA GLN 101 -7.520 -0.592 6.434 286 1HB GLN 101 2HB GLN 101 -7.025 -1.871 8.400 287 2HB GLN 101 3HB GLN 101 -6.273 -0.496 9.190 288 1HG GLN 101 2HG GLN 101 -8.544 0.589 9.010 289 2HG GLN 101 3HG GLN 101 -9.176 -0.996 8.634 290 1HE2 GLN 101 1HE2 GLN 101 -7.638 0.985 11.058 291 2HE2 GLN 101 2HE2 GLN 101 -8.015 -0.023 12.409 292 H SER 102 HN SER 102 -8.399 1.213 5.730 293 HA SER 102 HA SER 102 -7.434 3.766 5.986 294 1HB SER 102 2HB SER 102 -9.842 2.476 5.065 295 2HB SER 102 3HB SER 102 -10.211 3.992 5.848 296 HG SER 102 HG SER 102 -9.009 5.079 4.394 297 H LEU 103 HN LEU 103 -8.543 5.606 7.156 298 HA LEU 103 HA LEU 103 -9.289 4.728 9.868 299 1HB LEU 103 2HB LEU 103 -7.385 6.874 9.022 300 2HB LEU 103 3HB LEU 103 -8.117 6.856 10.613 301 HG LEU 103 HG LEU 103 -7.206 4.299 10.440 302 1HD1 LEU 103 1HD1 LEU 103 -4.833 4.570 9.613 303 2HD1 LEU 103 2HD1 LEU 103 -6.105 4.488 8.391 304 3HD1 LEU 103 3HD1 LEU 103 -5.393 6.043 8.820 305 1HD2 LEU 103 1HD2 LEU 103 -5.699 4.846 12.089 306 2HD2 LEU 103 2HD2 LEU 103 -5.317 6.415 11.370 307 3HD2 LEU 103 3HD2 LEU 103 -6.857 6.177 12.199 308 H THR 104 HN THR 104 -9.934 6.847 7.238 309 HA THR 104 HA THR 104 -11.753 8.518 8.740 310 HB THR 104 HB THR 104 -11.648 8.347 5.745 311 HG1 THR 104 1HG THR 104 -9.537 8.587 6.061 312 1HG2 THR 104 1HG2 THR 104 -12.179 10.488 7.744 313 2HG2 THR 104 2HG2 THR 104 -13.216 9.896 6.444 314 3HG2 THR 104 3HG2 THR 104 -11.783 10.855 6.065 315 H THR 105 HN THR 105 -11.788 5.932 6.420 316 HA THR 105 HA THR 105 -14.684 5.518 6.724 317 HB THR 105 HB THR 105 -14.686 4.709 4.597 318 HG1 THR 105 1HG THR 105 -11.956 4.022 4.780 319 1HG2 THR 105 1HG2 THR 105 -13.841 6.953 4.322 320 2HG2 THR 105 2HG2 THR 105 -13.150 5.879 3.105 321 3HG2 THR 105 3HG2 THR 105 -12.190 6.359 4.506 322 H GLY 106 HN GLY 106 -11.552 4.135 6.876 323 1HA GLY 106 1HA GLY 106 -10.671 2.473 8.112 324 2HA GLY 106 2HA GLY 106 -12.259 2.095 8.723 325 H GLN 107 HN GLN 107 -12.539 2.194 5.438 326 HA GLN 107 HA GLN 107 -13.033 -0.456 5.065 327 1HB GLN 107 2HB GLN 107 -12.347 1.806 3.312 328 2HB GLN 107 3HB GLN 107 -12.360 0.199 2.608 329 1HG GLN 107 2HG GLN 107 -14.538 0.516 2.336 330 2HG GLN 107 3HG GLN 107 -14.643 0.226 4.072 331 1HE2 GLN 107 1HE2 GLN 107 -15.918 1.631 5.014 332 2HE2 GLN 107 2HE2 GLN 107 -16.058 3.309 4.629 333 H GLU 108 HN GLU 108 -11.842 -2.184 5.096 334 HA GLU 108 HA GLU 108 -8.947 -1.947 5.076 335 1HB GLU 108 2HB GLU 108 -10.708 -4.348 5.549 336 2HB GLU 108 3HB GLU 108 -8.969 -4.312 5.742 337 1HG GLU 108 2HG GLU 108 -9.141 -3.506 7.780 338 2HG GLU 108 3HG GLU 108 -10.184 -2.194 7.245 339 H GLY 109 HN GLY 109 -7.557 -2.970 3.668 340 1HA GLY 109 1HA GLY 109 -8.176 -4.786 1.672 341 2HA GLY 109 2HA GLY 109 -8.449 -3.196 0.977 342 H PHE 110 HN PHE 110 -6.642 -4.498 -0.319 343 HA PHE 110 HA PHE 110 -3.996 -4.126 0.778 344 1HB PHE 110 2HB PHE 110 -5.210 -5.515 -1.525 345 2HB PHE 110 3HB PHE 110 -3.607 -4.861 -1.804 346 HD1 PHE 110 1HD PHE 110 -2.153 -6.660 -1.805 347 HD2 PHE 110 2HD PHE 110 -5.108 -6.370 1.244 348 HE1 PHE 110 1HE PHE 110 -1.167 -8.609 -0.671 349 HE2 PHE 110 2HE PHE 110 -4.126 -8.317 2.385 350 HZ PHE 110 HZ PHE 110 -2.154 -9.439 1.427 351 H ILE 111 HN ILE 111 -2.387 -2.783 -0.199 352 HA ILE 111 HA ILE 111 -3.310 -0.813 -2.143 353 HB ILE 111 HB ILE 111 -2.580 1.093 -0.801 354 1HG1 ILE 111 2HG1 ILE 111 -2.427 -0.623 1.644 355 2HG1 ILE 111 3HG1 ILE 111 -1.039 -0.539 0.571 356 1HG2 ILE 111 1HG2 ILE 111 -4.945 0.099 -0.709 357 2HG2 ILE 111 2HG2 ILE 111 -4.501 -0.442 0.911 358 3HG2 ILE 111 3HG2 ILE 111 -4.485 1.279 0.517 359 1HD1 ILE 111 1HD1 ILE 111 -0.519 1.114 2.026 360 2HD1 ILE 111 2HD1 ILE 111 -1.411 2.043 0.821 361 3HD1 ILE 111 3HD1 ILE 111 -2.205 1.546 2.315 362 HA PRO 112 HA PRO 112 0.710 -1.178 -3.869 363 1HB PRO 112 2HB PRO 112 0.959 1.553 -4.535 364 2HB PRO 112 3HB PRO 112 0.334 0.271 -5.573 365 1HG PRO 112 2HG PRO 112 -1.136 2.280 -3.983 366 2HG PRO 112 3HG PRO 112 -1.601 1.458 -5.468 367 1HD PRO 112 2HD PRO 112 -2.656 0.854 -3.056 368 2HD PRO 112 3HD PRO 112 -2.476 -0.329 -4.357 369 H PHE 113 HN PHE 113 2.283 -1.502 -2.361 370 HA PHE 113 HA PHE 113 2.753 -0.079 -0.069 371 1HB PHE 113 2HB PHE 113 4.731 -1.267 0.175 372 2HB PHE 113 3HB PHE 113 3.805 -2.296 -0.909 373 HD1 PHE 113 1HD PHE 113 4.197 -1.014 -3.503 374 HD2 PHE 113 2HD PHE 113 6.950 -1.615 -0.315 375 HE1 PHE 113 1HE PHE 113 6.062 -0.968 -5.109 376 HE2 PHE 113 2HE PHE 113 8.819 -1.572 -1.913 377 HZ PHE 113 HZ PHE 113 8.376 -1.249 -4.314 378 H ASN 114 HN ASN 114 3.630 0.838 -3.299 379 HA ASN 114 HA ASN 114 5.374 2.966 -2.316 380 1HB ASN 114 2HB ASN 114 6.033 3.269 -4.610 381 2HB ASN 114 3HB ASN 114 6.081 1.549 -4.251 382 1HD2 ASN 114 1HD2 ASN 114 4.399 0.214 -5.064 383 2HD2 ASN 114 2HD2 ASN 114 3.499 0.684 -6.459 384 H PHE 115 HN PHE 115 2.460 2.984 -1.878 385 HA PHE 115 HA PHE 115 1.799 5.448 -3.359 386 1HB PHE 115 2HB PHE 115 0.408 3.000 -3.288 387 2HB PHE 115 3HB PHE 115 -0.535 4.123 -2.326 388 HD1 PHE 115 1HD PHE 115 -2.281 4.952 -3.500 389 HD2 PHE 115 2HD PHE 115 1.443 4.437 -5.480 390 HE1 PHE 115 1HE PHE 115 -3.243 5.914 -5.533 391 HE2 PHE 115 2HE PHE 115 0.488 5.404 -7.531 392 HZ PHE 115 HZ PHE 115 -1.862 6.148 -7.562 393 H VAL 116 HN VAL 116 3.003 4.855 -0.544 394 HA VAL 116 HA VAL 116 1.372 6.853 0.777 395 HB VAL 116 HB VAL 116 1.125 5.478 2.846 396 1HG1 VAL 116 1HG1 VAL 116 -0.614 5.841 0.981 397 2HG1 VAL 116 2HG1 VAL 116 -0.311 4.150 0.583 398 3HG1 VAL 116 3HG1 VAL 116 -0.911 4.584 2.183 399 1HG2 VAL 116 1HG2 VAL 116 1.076 2.897 2.020 400 2HG2 VAL 116 2HG2 VAL 116 2.463 3.508 1.117 401 3HG2 VAL 116 3HG2 VAL 116 2.429 3.635 2.878 402 H ALA 117 HN ALA 117 2.296 7.842 2.542 403 HA ALA 117 HA ALA 117 5.032 7.113 3.279 404 1HB ALA 117 1HB ALA 117 5.771 8.754 1.913 405 2HB ALA 117 2HB ALA 117 4.201 9.555 1.852 406 3HB ALA 117 3HB ALA 117 5.265 9.808 3.234 407 H LYS 118 HN LYS 118 5.486 7.502 5.415 408 HA LYS 118 HA LYS 118 3.619 7.507 7.344 409 1HB LYS 118 2HB LYS 118 6.297 8.897 7.472 410 2HB LYS 118 3HB LYS 118 5.312 8.510 8.876 411 1HG LYS 118 2HG LYS 118 6.678 6.615 6.990 412 2HG LYS 118 3HG LYS 118 6.941 6.818 8.724 413 1HD LYS 118 2HD LYS 118 4.679 5.979 9.155 414 2HD LYS 118 3HD LYS 118 4.433 5.763 7.422 415 1HE LYS 118 2HE LYS 118 6.343 4.299 9.228 416 2HE LYS 118 3HE LYS 118 5.008 3.633 8.287 417 1HZ LYS 118 1HZ LYS 118 7.698 4.344 7.444 418 2HZ LYS 118 2HZ LYS 118 6.461 4.708 6.350 419 3HZ LYS 118 3HZ LYS 118 6.674 3.118 6.884 420 H ALA 119 HN ALA 119 2.340 8.873 8.471 421 HA ALA 119 HA ALA 119 1.629 11.363 7.289 422 1HB ALA 119 1HB ALA 119 0.310 11.565 9.552 423 2HB ALA 119 2HB ALA 119 -0.192 10.406 8.322 424 3HB ALA 119 3HB ALA 119 0.748 9.866 9.720 425 H ASN 120 HN ASN 120 4.201 11.787 7.643 426 HA ASN 120 HA ASN 120 4.301 13.710 9.860 427 1HB ASN 120 2HB ASN 120 6.081 11.416 9.372 428 2HB ASN 120 3HB ASN 120 6.917 12.939 9.664 429 1HD2 ASN 120 1HD2 ASN 120 5.706 10.263 11.105 430 2HD2 ASN 120 2HD2 ASN 120 5.485 10.866 12.709 Start of MODEL 24 1 H ASN 64 HN ASN 64 1.009 2.844 12.875 2 HA ASN 64 HA ASN 64 3.341 2.324 11.355 3 1HB ASN 64 2HB ASN 64 1.386 0.083 11.707 4 2HB ASN 64 3HB ASN 64 2.115 0.320 10.124 5 1HD2 ASN 64 1HD2 ASN 64 2.480 -1.968 11.660 6 2HD2 ASN 64 2HD2 ASN 64 4.143 -2.065 12.114 7 H LEU 65 HN LEU 65 1.112 4.215 11.677 8 HA LEU 65 HA LEU 65 -0.504 3.903 9.333 9 1HB LEU 65 2HB LEU 65 -1.586 4.945 11.106 10 2HB LEU 65 3HB LEU 65 -0.278 6.062 11.397 11 HG LEU 65 HG LEU 65 -0.806 7.179 9.294 12 1HD1 LEU 65 1HD1 LEU 65 -3.385 6.238 8.742 13 2HD1 LEU 65 2HD1 LEU 65 -1.943 6.104 7.735 14 3HD1 LEU 65 3HD1 LEU 65 -2.345 4.821 8.877 15 1HD2 LEU 65 1HD2 LEU 65 -2.956 8.174 9.993 16 2HD2 LEU 65 2HD2 LEU 65 -3.134 6.885 11.182 17 3HD2 LEU 65 3HD2 LEU 65 -1.806 8.037 11.324 18 H VAL 66 HN VAL 66 -0.461 4.958 7.515 19 HA VAL 66 HA VAL 66 1.857 6.675 6.920 20 HB VAL 66 HB VAL 66 1.590 5.732 4.576 21 1HG1 VAL 66 1HG1 VAL 66 2.720 4.237 6.903 22 2HG1 VAL 66 2HG1 VAL 66 2.895 3.621 5.259 23 3HG1 VAL 66 3HG1 VAL 66 3.564 5.195 5.687 24 1HG2 VAL 66 1HG2 VAL 66 0.739 3.391 4.511 25 2HG2 VAL 66 2HG2 VAL 66 0.091 3.643 6.131 26 3HG2 VAL 66 3HG2 VAL 66 -0.507 4.608 4.783 27 H ILE 67 HN ILE 67 1.406 7.624 4.567 28 HA ILE 67 HA ILE 67 -1.343 8.498 4.314 29 HB ILE 67 HB ILE 67 0.723 10.197 5.406 30 1HG1 ILE 67 2HG1 ILE 67 -2.222 10.399 4.867 31 2HG1 ILE 67 3HG1 ILE 67 -1.434 10.007 6.367 32 1HG2 ILE 67 1HG2 ILE 67 1.126 10.971 3.151 33 2HG2 ILE 67 2HG2 ILE 67 -0.605 11.169 2.876 34 3HG2 ILE 67 3HG2 ILE 67 0.226 12.204 4.036 35 1HD1 ILE 67 1HD1 ILE 67 -2.311 12.514 5.449 36 2HD1 ILE 67 2HD1 ILE 67 -1.496 12.129 6.966 37 3HD1 ILE 67 3HD1 ILE 67 -0.549 12.572 5.545 38 H ALA 68 HN ALA 68 -1.962 8.470 2.304 39 HA ALA 68 HA ALA 68 -0.263 7.672 0.213 40 1HB ALA 68 1HB ALA 68 -2.948 7.694 0.575 41 2HB ALA 68 2HB ALA 68 -2.749 8.985 -0.610 42 3HB ALA 68 3HB ALA 68 -2.146 7.366 -0.962 43 H LEU 69 HN LEU 69 0.368 8.725 -1.680 44 HA LEU 69 HA LEU 69 0.568 11.658 -1.462 45 1HB LEU 69 2HB LEU 69 2.550 9.648 -2.519 46 2HB LEU 69 3HB LEU 69 2.700 11.375 -2.788 47 HG LEU 69 HG LEU 69 2.710 10.021 -0.087 48 1HD1 LEU 69 1HD1 LEU 69 4.799 9.509 -0.932 49 2HD1 LEU 69 2HD1 LEU 69 4.881 10.976 -1.911 50 3HD1 LEU 69 3HD1 LEU 69 5.102 11.067 -0.164 51 1HD2 LEU 69 1HD2 LEU 69 3.395 12.270 0.715 52 2HD2 LEU 69 2HD2 LEU 69 3.052 12.908 -0.892 53 3HD2 LEU 69 3HD2 LEU 69 1.750 12.220 0.079 54 H HIS 70 HN HIS 70 -1.248 9.597 -2.946 55 HA HIS 70 HA HIS 70 -1.665 11.179 -5.267 56 1HB HIS 70 2HB HIS 70 -1.240 8.732 -6.557 57 2HB HIS 70 3HB HIS 70 -0.262 10.185 -6.709 58 HD1 HIS 70 1HD HIS 70 1.942 8.939 -6.998 59 HD2 HIS 70 2HD HIS 70 -0.038 7.955 -3.484 60 HE1 HIS 70 1HE HIS 70 3.605 7.648 -5.633 61 HE2 HIS 70 2HE HIS 70 2.443 7.229 -3.441 62 H SER 71 HN SER 71 -3.663 10.790 -6.177 63 HA SER 71 HA SER 71 -5.582 9.449 -4.644 64 1HB SER 71 2HB SER 71 -6.145 9.793 -7.538 65 2HB SER 71 3HB SER 71 -7.109 10.260 -6.139 66 HG SER 71 HG SER 71 -5.465 11.937 -5.814 67 H TYR 72 HN TYR 72 -6.083 7.368 -4.470 68 HA TYR 72 HA TYR 72 -4.987 5.516 -6.477 69 1HB TYR 72 2HB TYR 72 -4.329 5.211 -4.073 70 2HB TYR 72 3HB TYR 72 -6.001 4.817 -3.724 71 HD1 TYR 72 1HD TYR 72 -3.719 3.815 -6.515 72 HD2 TYR 72 2HD TYR 72 -6.167 2.565 -3.270 73 HE1 TYR 72 1HE TYR 72 -3.320 1.469 -7.123 74 HE2 TYR 72 2HE TYR 72 -5.765 0.217 -3.864 75 HH TYR 72 HH TYR 72 -5.144 -1.064 -5.957 76 H GLU 73 HN GLU 73 -6.172 3.894 -7.392 77 HA GLU 73 HA GLU 73 -9.047 3.826 -6.918 78 1HB GLU 73 2HB GLU 73 -7.768 4.889 -9.205 79 2HB GLU 73 3HB GLU 73 -8.599 3.423 -9.679 80 1HG GLU 73 2HG GLU 73 -10.682 4.265 -8.959 81 2HG GLU 73 3HG GLU 73 -9.911 5.597 -8.098 82 HA PRO 74 HA PRO 74 -7.461 -0.406 -6.221 83 1HB PRO 74 2HB PRO 74 -10.266 -1.085 -6.142 84 2HB PRO 74 3HB PRO 74 -9.100 -1.047 -4.820 85 1HG PRO 74 2HG PRO 74 -11.063 0.984 -5.636 86 2HG PRO 74 3HG PRO 74 -10.256 0.757 -4.075 87 1HD PRO 74 2HD PRO 74 -9.645 2.816 -5.721 88 2HD PRO 74 3HD PRO 74 -8.419 2.019 -4.708 89 H SER 75 HN SER 75 -6.937 -1.815 -7.726 90 HA SER 75 HA SER 75 -8.730 -2.192 -10.030 91 1HB SER 75 2HB SER 75 -6.763 -0.864 -10.704 92 2HB SER 75 3HB SER 75 -5.701 -2.137 -10.101 93 HG SER 75 HG SER 75 -7.675 -2.613 -12.072 94 H HIS 76 HN HIS 76 -6.183 -3.583 -8.003 95 HA HIS 76 HA HIS 76 -6.596 -6.244 -9.027 96 1HB HIS 76 2HB HIS 76 -4.798 -4.970 -7.025 97 2HB HIS 76 3HB HIS 76 -5.136 -6.686 -6.819 98 HD1 HIS 76 1HD HIS 76 -5.239 -7.153 -10.033 99 HD2 HIS 76 2HD HIS 76 -2.159 -5.479 -7.802 100 HE1 HIS 76 1HE HIS 76 -3.163 -7.463 -11.415 101 HE2 HIS 76 2HE HIS 76 -1.332 -6.348 -10.092 102 H ASP 77 HN ASP 77 -7.238 -8.058 -7.669 103 HA ASP 77 HA ASP 77 -9.685 -7.568 -6.338 104 1HB ASP 77 2HB ASP 77 -7.976 -9.948 -6.859 105 2HB ASP 77 3HB ASP 77 -9.170 -10.076 -5.570 106 H GLY 78 HN GLY 78 -10.229 -7.575 -4.180 107 1HA GLY 78 1HA GLY 78 -9.944 -7.294 -1.916 108 2HA GLY 78 2HA GLY 78 -8.520 -8.308 -2.070 109 H ASP 79 HN ASP 79 -9.160 -5.140 -3.537 110 HA ASP 79 HA ASP 79 -6.777 -4.141 -2.132 111 1HB ASP 79 2HB ASP 79 -7.970 -3.335 -4.783 112 2HB ASP 79 3HB ASP 79 -6.679 -2.442 -3.985 113 H LEU 80 HN LEU 80 -6.767 -1.953 -1.433 114 HA LEU 80 HA LEU 80 -9.446 -0.953 -0.739 115 1HB LEU 80 2HB LEU 80 -8.477 -1.375 1.307 116 2HB LEU 80 3HB LEU 80 -6.858 -1.052 0.732 117 HG LEU 80 HG LEU 80 -7.447 1.387 0.708 118 1HD1 LEU 80 1HD1 LEU 80 -9.431 1.718 2.477 119 2HD1 LEU 80 2HD1 LEU 80 -9.684 1.723 0.731 120 3HD1 LEU 80 3HD1 LEU 80 -10.004 0.261 1.664 121 1HD2 LEU 80 1HD2 LEU 80 -7.651 -0.020 3.365 122 2HD2 LEU 80 2HD2 LEU 80 -6.153 0.357 2.514 123 3HD2 LEU 80 3HD2 LEU 80 -7.181 1.660 3.110 124 H GLY 81 HN GLY 81 -10.016 1.059 -1.371 125 1HA GLY 81 1HA GLY 81 -8.048 2.539 -2.958 126 2HA GLY 81 2HA GLY 81 -9.784 2.753 -3.037 127 H PHE 82 HN PHE 82 -7.520 4.634 -2.616 128 HA PHE 82 HA PHE 82 -8.719 6.073 -0.393 129 1HB PHE 82 2HB PHE 82 -6.280 6.650 0.338 130 2HB PHE 82 3HB PHE 82 -7.026 5.158 0.885 131 HD1 PHE 82 1HD PHE 82 -6.593 3.078 -0.694 132 HD2 PHE 82 2HD PHE 82 -4.154 6.559 -0.534 133 HE1 PHE 82 1HE PHE 82 -4.714 1.803 -1.634 134 HE2 PHE 82 2HE PHE 82 -2.262 5.278 -1.471 135 HZ PHE 82 HZ PHE 82 -2.547 2.899 -2.018 136 H GLU 83 HN GLU 83 -7.512 8.281 -0.194 137 HA GLU 83 HA GLU 83 -7.260 9.321 -2.936 138 1HB GLU 83 2HB GLU 83 -8.650 10.227 -0.546 139 2HB GLU 83 3HB GLU 83 -7.625 11.479 -1.225 140 1HG GLU 83 2HG GLU 83 -8.903 10.422 -3.426 141 2HG GLU 83 3HG GLU 83 -10.142 10.411 -2.174 142 H LYS 84 HN LYS 84 -5.954 11.504 -2.883 143 HA LYS 84 HA LYS 84 -3.300 10.810 -2.068 144 1HB LYS 84 2HB LYS 84 -3.367 12.029 -4.055 145 2HB LYS 84 3HB LYS 84 -4.552 13.164 -3.434 146 1HG LYS 84 2HG LYS 84 -2.603 13.840 -1.812 147 2HG LYS 84 3HG LYS 84 -1.597 13.097 -3.053 148 1HD LYS 84 2HD LYS 84 -3.366 14.679 -4.471 149 2HD LYS 84 3HD LYS 84 -2.968 15.651 -3.055 150 1HE LYS 84 2HE LYS 84 -0.627 14.377 -4.203 151 2HE LYS 84 3HE LYS 84 -1.462 15.400 -5.371 152 1HZ LYS 84 1HZ LYS 84 -0.489 16.224 -2.689 153 2HZ LYS 84 2HZ LYS 84 -1.375 17.211 -3.738 154 3HZ LYS 84 3HZ LYS 84 0.167 16.679 -4.181 155 H GLY 85 HN GLY 85 -2.238 11.392 -0.270 156 1HA GLY 85 1HA GLY 85 -1.760 12.523 1.715 157 2HA GLY 85 2HA GLY 85 -3.123 13.595 1.392 158 H GLU 86 HN GLU 86 -4.535 10.770 0.939 159 HA GLU 86 HA GLU 86 -5.972 10.720 3.324 160 1HB GLU 86 2HB GLU 86 -6.212 9.511 0.904 161 2HB GLU 86 3HB GLU 86 -5.646 8.163 1.871 162 1HG GLU 86 2HG GLU 86 -8.252 9.085 1.572 163 2HG GLU 86 3HG GLU 86 -7.671 7.822 2.636 164 H GLN 87 HN GLN 87 -6.045 8.821 4.828 165 HA GLN 87 HA GLN 87 -3.321 7.855 5.369 166 1HB GLN 87 2HB GLN 87 -5.309 8.412 7.546 167 2HB GLN 87 3HB GLN 87 -3.578 8.161 7.686 168 1HG GLN 87 2HG GLN 87 -3.091 10.293 7.248 169 2HG GLN 87 3HG GLN 87 -4.338 10.430 6.013 170 1HE2 GLN 87 1HE2 GLN 87 -3.580 10.780 9.372 171 2HE2 GLN 87 2HE2 GLN 87 -5.028 11.602 9.830 172 H LEU 88 HN LEU 88 -3.077 5.847 6.159 173 HA LEU 88 HA LEU 88 -5.394 4.113 6.525 174 1HB LEU 88 2HB LEU 88 -3.250 3.005 4.809 175 2HB LEU 88 3HB LEU 88 -4.961 2.637 4.842 176 HG LEU 88 HG LEU 88 -4.377 5.329 3.852 177 1HD1 LEU 88 1HD1 LEU 88 -3.100 4.883 2.050 178 2HD1 LEU 88 2HD1 LEU 88 -2.488 3.592 3.089 179 3HD1 LEU 88 3HD1 LEU 88 -3.724 3.242 1.877 180 1HD2 LEU 88 1HD2 LEU 88 -5.848 3.026 2.596 181 2HD2 LEU 88 2HD2 LEU 88 -6.565 4.100 3.806 182 3HD2 LEU 88 3HD2 LEU 88 -6.033 4.750 2.252 183 H ARG 89 HN ARG 89 -5.066 2.786 8.153 184 HA ARG 89 HA ARG 89 -2.497 2.716 9.426 185 1HB ARG 89 2HB ARG 89 -4.347 2.852 10.892 186 2HB ARG 89 3HB ARG 89 -5.196 1.547 10.073 187 1HG ARG 89 2HG ARG 89 -3.621 -0.050 10.884 188 2HG ARG 89 3HG ARG 89 -2.634 1.226 11.582 189 1HD ARG 89 2HD ARG 89 -4.774 1.847 12.873 190 2HD ARG 89 3HD ARG 89 -5.306 0.225 12.468 191 HE ARG 89 HE ARG 89 -2.689 0.391 13.679 192 1HH1 ARG 89 2HH1 ARG 89 -6.115 0.006 14.230 193 2HH1 ARG 89 1HH1 ARG 89 -5.908 -0.759 15.770 194 1HH2 ARG 89 2HH2 ARG 89 -2.417 -0.614 15.704 195 2HH2 ARG 89 1HH2 ARG 89 -3.810 -1.111 16.607 196 H ILE 90 HN ILE 90 -1.047 1.541 8.402 197 HA ILE 90 HA ILE 90 -1.522 -0.642 6.742 198 HB ILE 90 HB ILE 90 1.050 -0.097 8.226 199 1HG1 ILE 90 2HG1 ILE 90 0.169 1.895 7.037 200 2HG1 ILE 90 3HG1 ILE 90 1.688 1.327 6.380 201 1HG2 ILE 90 1HG2 ILE 90 0.391 -2.204 6.600 202 2HG2 ILE 90 2HG2 ILE 90 1.172 -1.080 5.489 203 3HG2 ILE 90 3HG2 ILE 90 2.026 -1.632 6.931 204 1HD1 ILE 90 1HD1 ILE 90 -0.763 1.784 5.046 205 2HD1 ILE 90 2HD1 ILE 90 0.769 1.225 4.374 206 3HD1 ILE 90 3HD1 ILE 90 -0.412 0.057 4.965 207 H LEU 91 HN LEU 91 -2.381 -2.460 7.260 208 HA LEU 91 HA LEU 91 -2.185 -3.626 9.888 209 1HB LEU 91 2HB LEU 91 -3.271 -4.902 7.386 210 2HB LEU 91 3HB LEU 91 -3.697 -5.265 9.047 211 HG LEU 91 HG LEU 91 -4.349 -2.720 7.564 212 1HD1 LEU 91 1HD1 LEU 91 -5.818 -5.231 7.969 213 2HD1 LEU 91 2HD1 LEU 91 -6.732 -3.742 8.228 214 3HD1 LEU 91 3HD1 LEU 91 -5.933 -4.028 6.684 215 1HD2 LEU 91 1HD2 LEU 91 -4.728 -1.768 9.528 216 2HD2 LEU 91 2HD2 LEU 91 -5.883 -3.039 9.928 217 3HD2 LEU 91 3HD2 LEU 91 -4.181 -3.229 10.350 218 H GLU 92 HN GLU 92 -1.154 -4.381 6.612 219 HA GLU 92 HA GLU 92 1.138 -5.825 7.678 220 1HB GLU 92 2HB GLU 92 -1.081 -7.109 6.441 221 2HB GLU 92 3HB GLU 92 0.296 -7.215 5.348 222 1HG GLU 92 2HG GLU 92 1.097 -8.879 6.553 223 2HG GLU 92 3HG GLU 92 1.275 -7.763 7.911 224 H GLN 93 HN GLN 93 2.974 -5.492 6.548 225 HA GLN 93 HA GLN 93 2.728 -3.968 4.060 226 1HB GLN 93 2HB GLN 93 5.028 -3.011 4.926 227 2HB GLN 93 3HB GLN 93 3.497 -2.306 5.414 228 1HG GLN 93 2HG GLN 93 3.565 -3.805 7.399 229 2HG GLN 93 3HG GLN 93 5.194 -4.213 6.914 230 1HE2 GLN 93 1HE2 GLN 93 6.355 -3.329 8.536 231 2HE2 GLN 93 2HE2 GLN 93 6.361 -1.646 8.926 232 H SER 94 HN SER 94 2.994 -6.768 4.252 233 HA SER 94 HA SER 94 5.766 -7.280 3.471 234 1HB SER 94 2HB SER 94 4.270 -9.658 3.282 235 2HB SER 94 3HB SER 94 5.409 -9.215 4.551 236 HG SER 94 HG SER 94 2.970 -9.696 4.965 237 H GLY 95 HN GLY 95 6.311 -7.294 1.397 238 1HA GLY 95 1HA GLY 95 6.095 -7.918 -0.874 239 2HA GLY 95 2HA GLY 95 4.384 -8.193 -0.605 240 H GLU 96 HN GLU 96 5.466 -6.855 -2.784 241 HA GLU 96 HA GLU 96 5.625 -4.118 -2.728 242 1HB GLU 96 2HB GLU 96 6.060 -4.861 -4.817 243 2HB GLU 96 3HB GLU 96 4.870 -6.153 -4.709 244 1HG GLU 96 2HG GLU 96 3.111 -4.671 -5.154 245 2HG GLU 96 3HG GLU 96 4.178 -3.272 -5.078 246 H TRP 97 HN TRP 97 2.844 -6.053 -2.083 247 HA TRP 97 HA TRP 97 1.144 -3.656 -2.222 248 1HB TRP 97 2HB TRP 97 0.540 -6.574 -2.601 249 2HB TRP 97 3HB TRP 97 -0.733 -5.439 -2.165 250 HD1 TRP 97 1HD TRP 97 1.645 -6.305 -5.041 251 HE1 TRP 97 1HE TRP 97 0.809 -5.146 -7.181 252 HE3 TRP 97 3HE TRP 97 -2.113 -3.495 -3.025 253 HZ2 TRP 97 2HZ TRP 97 -1.180 -3.278 -7.914 254 HZ3 TRP 97 3HZ TRP 97 -3.431 -2.046 -4.504 255 HH2 TRP 97 2HH TRP 97 -2.970 -1.937 -6.900 256 H TRP 98 HN TRP 98 0.963 -2.750 -0.280 257 HA TRP 98 HA TRP 98 1.128 -4.384 2.123 258 1HB TRP 98 2HB TRP 98 1.134 -1.408 1.672 259 2HB TRP 98 3HB TRP 98 1.054 -2.126 3.273 260 HD1 TRP 98 1HD TRP 98 3.226 -4.286 1.296 261 HE1 TRP 98 1HE TRP 98 5.707 -3.762 1.749 262 HE3 TRP 98 3HE TRP 98 2.665 0.184 3.659 263 HZ2 TRP 98 2HZ TRP 98 7.227 -1.690 2.946 264 HZ3 TRP 98 3HZ TRP 98 4.667 1.392 4.426 265 HH2 TRP 98 2HH TRP 98 6.905 0.468 4.080 266 H LYS 99 HN LYS 99 -0.456 -4.714 3.558 267 HA LYS 99 HA LYS 99 -3.175 -4.113 2.756 268 1HB LYS 99 2HB LYS 99 -2.734 -6.338 3.614 269 2HB LYS 99 3HB LYS 99 -2.013 -5.675 5.069 270 1HG LYS 99 2HG LYS 99 -4.421 -6.609 5.153 271 2HG LYS 99 3HG LYS 99 -4.046 -5.099 5.986 272 1HD LYS 99 2HD LYS 99 -5.077 -3.804 4.385 273 2HD LYS 99 3HD LYS 99 -5.054 -5.090 3.176 274 1HE LYS 99 2HE LYS 99 -6.505 -5.956 5.492 275 2HE LYS 99 3HE LYS 99 -7.133 -4.405 4.944 276 1HZ LYS 99 1HZ LYS 99 -7.396 -6.992 3.758 277 2HZ LYS 99 2HZ LYS 99 -6.825 -5.847 2.650 278 3HZ LYS 99 3HZ LYS 99 -8.282 -5.580 3.467 279 H ALA 100 HN ALA 100 -3.999 -2.169 3.292 280 HA ALA 100 HA ALA 100 -3.194 -1.026 5.889 281 1HB ALA 100 1HB ALA 100 -4.203 0.767 3.746 282 2HB ALA 100 2HB ALA 100 -3.019 1.069 5.021 283 3HB ALA 100 3HB ALA 100 -2.561 0.132 3.597 284 H GLN 101 HN GLN 101 -4.722 -0.142 7.197 285 HA GLN 101 HA GLN 101 -7.504 -0.614 6.373 286 1HB GLN 101 2HB GLN 101 -6.999 -1.921 8.319 287 2HB GLN 101 3HB GLN 101 -6.257 -0.554 9.128 288 1HG GLN 101 2HG GLN 101 -8.531 0.522 8.960 289 2HG GLN 101 3HG GLN 101 -9.156 -1.058 8.554 290 1HE2 GLN 101 1HE2 GLN 101 -7.546 0.843 11.015 291 2HE2 GLN 101 2HE2 GLN 101 -7.959 -0.174 12.348 292 H SER 102 HN SER 102 -8.367 1.198 5.685 293 HA SER 102 HA SER 102 -7.408 3.744 5.961 294 1HB SER 102 2HB SER 102 -9.823 2.464 5.046 295 2HB SER 102 3HB SER 102 -10.184 3.975 5.839 296 HG SER 102 HG SER 102 -9.393 3.726 3.414 297 H LEU 103 HN LEU 103 -8.535 5.578 7.133 298 HA LEU 103 HA LEU 103 -9.259 4.699 9.849 299 1HB LEU 103 2HB LEU 103 -7.362 6.849 8.997 300 2HB LEU 103 3HB LEU 103 -8.081 6.822 10.594 301 HG LEU 103 HG LEU 103 -7.163 4.262 10.380 302 1HD1 LEU 103 1HD1 LEU 103 -4.780 4.584 9.577 303 2HD1 LEU 103 2HD1 LEU 103 -6.045 4.480 8.351 304 3HD1 LEU 103 3HD1 LEU 103 -5.368 6.048 8.789 305 1HD2 LEU 103 1HD2 LEU 103 -6.836 6.109 12.177 306 2HD2 LEU 103 2HD2 LEU 103 -5.672 4.785 12.047 307 3HD2 LEU 103 3HD2 LEU 103 -5.293 6.369 11.363 308 H THR 104 HN THR 104 -9.906 6.819 7.221 309 HA THR 104 HA THR 104 -11.717 8.499 8.720 310 HB THR 104 HB THR 104 -11.623 8.306 5.725 311 HG1 THR 104 1HG THR 104 -9.503 8.518 6.079 312 1HG2 THR 104 1HG2 THR 104 -12.143 10.463 7.711 313 2HG2 THR 104 2HG2 THR 104 -13.187 9.861 6.421 314 3HG2 THR 104 3HG2 THR 104 -11.755 10.814 6.026 315 H THR 105 HN THR 105 -11.766 5.889 6.428 316 HA THR 105 HA THR 105 -14.661 5.480 6.756 317 HB THR 105 HB THR 105 -14.684 4.663 4.631 318 HG1 THR 105 1HG THR 105 -11.947 3.996 4.780 319 1HG2 THR 105 1HG2 THR 105 -13.864 6.907 4.330 320 2HG2 THR 105 2HG2 THR 105 -13.154 5.835 3.122 321 3HG2 THR 105 3HG2 THR 105 -12.206 6.339 4.522 322 H GLY 106 HN GLY 106 -11.525 4.098 6.869 323 1HA GLY 106 1HA GLY 106 -10.625 2.443 8.099 324 2HA GLY 106 2HA GLY 106 -12.201 2.070 8.738 325 H GLN 107 HN GLN 107 -12.485 2.153 5.438 326 HA GLN 107 HA GLN 107 -12.997 -0.505 5.102 327 1HB GLN 107 2HB GLN 107 -12.322 1.732 3.310 328 2HB GLN 107 3HB GLN 107 -12.365 0.115 2.631 329 1HG GLN 107 2HG GLN 107 -14.543 0.459 2.389 330 2HG GLN 107 3HG GLN 107 -14.623 0.184 4.128 331 1HE2 GLN 107 1HE2 GLN 107 -14.012 2.778 1.788 332 2HE2 GLN 107 2HE2 GLN 107 -14.853 4.005 2.668 333 H GLU 108 HN GLU 108 -11.808 -2.231 5.134 334 HA GLU 108 HA GLU 108 -8.915 -1.996 5.097 335 1HB GLU 108 2HB GLU 108 -10.625 -4.437 5.540 336 2HB GLU 108 3HB GLU 108 -8.905 -4.311 5.829 337 1HG GLU 108 2HG GLU 108 -9.220 -3.475 7.837 338 2HG GLU 108 3HG GLU 108 -10.335 -2.253 7.238 339 H GLY 109 HN GLY 109 -7.532 -2.950 3.654 340 1HA GLY 109 1HA GLY 109 -8.154 -4.798 1.675 341 2HA GLY 109 2HA GLY 109 -8.443 -3.211 0.981 342 H PHE 110 HN PHE 110 -6.630 -4.524 -0.318 343 HA PHE 110 HA PHE 110 -3.983 -4.135 0.759 344 1HB PHE 110 2HB PHE 110 -5.201 -5.479 -1.579 345 2HB PHE 110 3HB PHE 110 -3.578 -4.860 -1.805 346 HD1 PHE 110 1HD PHE 110 -2.196 -6.721 -1.829 347 HD2 PHE 110 2HD PHE 110 -5.163 -6.362 1.202 348 HE1 PHE 110 1HE PHE 110 -1.288 -8.714 -0.710 349 HE2 PHE 110 2HE PHE 110 -4.258 -8.355 2.328 350 HZ PHE 110 HZ PHE 110 -2.318 -9.533 1.371 351 H ILE 111 HN ILE 111 -2.371 -2.810 -0.279 352 HA ILE 111 HA ILE 111 -3.321 -0.819 -2.181 353 HB ILE 111 HB ILE 111 -2.595 1.085 -0.843 354 1HG1 ILE 111 2HG1 ILE 111 -2.398 -0.605 1.613 355 2HG1 ILE 111 3HG1 ILE 111 -1.028 -0.557 0.514 356 1HG2 ILE 111 1HG2 ILE 111 -4.475 -0.472 0.894 357 2HG2 ILE 111 2HG2 ILE 111 -4.478 1.250 0.509 358 3HG2 ILE 111 3HG2 ILE 111 -4.946 0.073 -0.717 359 1HD1 ILE 111 1HD1 ILE 111 -2.118 1.552 2.269 360 2HD1 ILE 111 2HD1 ILE 111 -0.446 1.131 1.892 361 3HD1 ILE 111 3HD1 ILE 111 -1.410 2.045 0.731 362 HA PRO 112 HA PRO 112 0.669 -1.160 -3.969 363 1HB PRO 112 2HB PRO 112 0.924 1.589 -4.567 364 2HB PRO 112 3HB PRO 112 0.291 0.333 -5.632 365 1HG PRO 112 2HG PRO 112 -1.167 2.302 -3.981 366 2HG PRO 112 3HG PRO 112 -1.645 1.517 -5.481 367 1HD PRO 112 2HD PRO 112 -2.684 0.854 -3.081 368 2HD PRO 112 3HD PRO 112 -2.504 -0.305 -4.406 369 H PHE 113 HN PHE 113 2.255 -1.537 -2.498 370 HA PHE 113 HA PHE 113 2.787 -0.202 -0.174 371 1HB PHE 113 2HB PHE 113 4.809 -1.368 -0.047 372 2HB PHE 113 3HB PHE 113 3.804 -2.385 -1.073 373 HD1 PHE 113 1HD PHE 113 6.986 -1.758 -0.691 374 HD2 PHE 113 2HD PHE 113 4.034 -1.064 -3.677 375 HE1 PHE 113 1HE PHE 113 8.742 -1.713 -2.412 376 HE2 PHE 113 2HE PHE 113 5.786 -1.018 -5.403 377 HZ PHE 113 HZ PHE 113 8.143 -1.343 -4.772 378 H ASN 114 HN ASN 114 3.615 0.830 -3.384 379 HA ASN 114 HA ASN 114 5.349 2.933 -2.338 380 1HB ASN 114 2HB ASN 114 5.349 1.412 -4.704 381 2HB ASN 114 3HB ASN 114 5.101 3.092 -5.145 382 1HD2 ASN 114 1HD2 ASN 114 7.085 3.419 -6.044 383 2HD2 ASN 114 2HD2 ASN 114 8.554 3.413 -5.133 384 H PHE 115 HN PHE 115 2.463 2.967 -1.909 385 HA PHE 115 HA PHE 115 1.804 5.434 -3.386 386 1HB PHE 115 2HB PHE 115 0.397 2.996 -3.302 387 2HB PHE 115 3HB PHE 115 -0.531 4.129 -2.337 388 HD1 PHE 115 1HD PHE 115 1.457 4.513 -5.473 389 HD2 PHE 115 2HD PHE 115 -2.305 4.883 -3.531 390 HE1 PHE 115 1HE PHE 115 0.499 5.489 -7.518 391 HE2 PHE 115 2HE PHE 115 -3.268 5.856 -5.558 392 HZ PHE 115 HZ PHE 115 -1.870 6.166 -7.565 393 H VAL 116 HN VAL 116 3.005 4.800 -0.562 394 HA VAL 116 HA VAL 116 1.420 6.836 0.757 395 HB VAL 116 HB VAL 116 1.133 5.468 2.822 396 1HG1 VAL 116 1HG1 VAL 116 -0.922 4.620 2.153 397 2HG1 VAL 116 2HG1 VAL 116 -0.594 5.876 0.958 398 3HG1 VAL 116 3HG1 VAL 116 -0.329 4.181 0.551 399 1HG2 VAL 116 1HG2 VAL 116 2.392 3.594 2.855 400 2HG2 VAL 116 2HG2 VAL 116 1.019 2.889 1.999 401 3HG2 VAL 116 3HG2 VAL 116 2.421 3.463 1.096 402 H ALA 117 HN ALA 117 2.358 7.796 2.526 403 HA ALA 117 HA ALA 117 5.068 6.998 3.284 404 1HB ALA 117 1HB ALA 117 4.313 9.455 1.843 405 2HB ALA 117 2HB ALA 117 5.361 9.691 3.242 406 3HB ALA 117 3HB ALA 117 5.865 8.623 1.932 407 H LYS 118 HN LYS 118 5.518 7.392 5.426 408 HA LYS 118 HA LYS 118 3.631 7.435 7.335 409 1HB LYS 118 2HB LYS 118 6.336 8.770 7.486 410 2HB LYS 118 3HB LYS 118 5.328 8.416 8.882 411 1HG LYS 118 2HG LYS 118 6.676 6.480 7.028 412 2HG LYS 118 3HG LYS 118 6.914 6.684 8.765 413 1HD LYS 118 2HD LYS 118 4.622 5.902 9.157 414 2HD LYS 118 3HD LYS 118 4.409 5.675 7.421 415 1HE LYS 118 2HE LYS 118 6.326 4.217 9.234 416 2HE LYS 118 3HE LYS 118 4.915 3.549 8.416 417 1HZ LYS 118 1HZ LYS 118 6.612 2.897 7.042 418 2HZ LYS 118 2HZ LYS 118 7.527 4.296 7.297 419 3HZ LYS 118 3HZ LYS 118 6.160 4.350 6.302 420 H ALA 119 HN ALA 119 2.379 8.834 8.464 421 HA ALA 119 HA ALA 119 1.714 11.327 7.259 422 1HB ALA 119 1HB ALA 119 -0.130 10.434 8.295 423 2HB ALA 119 2HB ALA 119 0.794 9.852 9.686 424 3HB ALA 119 3HB ALA 119 0.407 11.565 9.536 425 H ASN 120 HN ASN 120 4.287 11.706 7.604 426 HA ASN 120 HA ASN 120 4.412 13.732 9.710 427 1HB ASN 120 2HB ASN 120 6.046 11.283 9.561 428 2HB ASN 120 3HB ASN 120 6.964 12.766 9.804 429 1HD2 ASN 120 1HD2 ASN 120 7.398 13.064 11.854 430 2HD2 ASN 120 2HD2 ASN 120 6.340 12.746 13.182 Start of MODEL 25 1 H ASN 64 HN ASN 64 1.237 2.881 12.893 2 HA ASN 64 HA ASN 64 3.419 2.193 11.201 3 1HB ASN 64 2HB ASN 64 1.345 0.107 11.787 4 2HB ASN 64 3HB ASN 64 2.020 0.217 10.169 5 1HD2 ASN 64 1HD2 ASN 64 2.271 -1.983 11.924 6 2HD2 ASN 64 2HD2 ASN 64 3.952 -2.185 12.272 7 H LEU 65 HN LEU 65 1.245 4.189 11.649 8 HA LEU 65 HA LEU 65 -0.479 3.867 9.376 9 1HB LEU 65 2HB LEU 65 -1.481 4.931 11.188 10 2HB LEU 65 3HB LEU 65 -0.158 6.045 11.409 11 HG LEU 65 HG LEU 65 -0.768 7.132 9.310 12 1HD1 LEU 65 1HD1 LEU 65 -2.338 4.778 8.999 13 2HD1 LEU 65 2HD1 LEU 65 -3.377 6.200 8.891 14 3HD1 LEU 65 3HD1 LEU 65 -1.982 6.043 7.819 15 1HD2 LEU 65 1HD2 LEU 65 -1.670 8.043 11.355 16 2HD2 LEU 65 2HD2 LEU 65 -2.890 8.144 10.084 17 3HD2 LEU 65 3HD2 LEU 65 -3.000 6.885 11.316 18 H VAL 66 HN VAL 66 -0.492 4.926 7.555 19 HA VAL 66 HA VAL 66 1.838 6.592 6.873 20 HB VAL 66 HB VAL 66 1.454 5.651 4.543 21 1HG1 VAL 66 1HG1 VAL 66 2.841 3.638 5.051 22 2HG1 VAL 66 2HG1 VAL 66 3.444 5.138 5.758 23 3HG1 VAL 66 3HG1 VAL 66 2.581 3.973 6.763 24 1HG2 VAL 66 1HG2 VAL 66 -0.008 3.590 6.167 25 2HG2 VAL 66 2HG2 VAL 66 -0.656 4.570 4.853 26 3HG2 VAL 66 3HG2 VAL 66 0.555 3.333 4.516 27 H ILE 67 HN ILE 67 1.327 7.527 4.526 28 HA ILE 67 HA ILE 67 -1.398 8.470 4.337 29 HB ILE 67 HB ILE 67 0.708 10.120 5.419 30 1HG1 ILE 67 2HG1 ILE 67 -2.233 10.386 4.889 31 2HG1 ILE 67 3HG1 ILE 67 -1.447 9.973 6.383 32 1HG2 ILE 67 1HG2 ILE 67 -0.599 11.131 2.892 33 2HG2 ILE 67 2HG2 ILE 67 0.248 12.147 4.057 34 3HG2 ILE 67 3HG2 ILE 67 1.128 10.901 3.172 35 1HD1 ILE 67 1HD1 ILE 67 -1.463 12.096 6.990 36 2HD1 ILE 67 2HD1 ILE 67 -0.523 12.528 5.560 37 3HD1 ILE 67 3HD1 ILE 67 -2.286 12.498 5.481 38 H ALA 68 HN ALA 68 -2.039 8.402 2.338 39 HA ALA 68 HA ALA 68 -0.421 7.575 0.221 40 1HB ALA 68 1HB ALA 68 -2.717 8.964 -0.782 41 2HB ALA 68 2HB ALA 68 -2.381 7.235 -0.750 42 3HB ALA 68 3HB ALA 68 -3.155 8.007 0.634 43 H LEU 69 HN LEU 69 0.202 8.618 -1.708 44 HA LEU 69 HA LEU 69 0.629 11.523 -1.440 45 1HB LEU 69 2HB LEU 69 2.436 9.401 -2.586 46 2HB LEU 69 3HB LEU 69 2.706 11.119 -2.811 47 HG LEU 69 HG LEU 69 2.669 9.694 -0.147 48 1HD1 LEU 69 1HD1 LEU 69 4.872 10.523 -1.992 49 2HD1 LEU 69 2HD1 LEU 69 5.132 10.551 -0.250 50 3HD1 LEU 69 3HD1 LEU 69 4.692 9.042 -1.048 51 1HD2 LEU 69 1HD2 LEU 69 1.885 11.961 0.081 52 2HD2 LEU 69 2HD2 LEU 69 3.532 11.854 0.704 53 3HD2 LEU 69 3HD2 LEU 69 3.234 12.564 -0.882 54 H HIS 70 HN HIS 70 -1.218 9.425 -3.012 55 HA HIS 70 HA HIS 70 -1.673 11.152 -5.239 56 1HB HIS 70 2HB HIS 70 -1.269 8.683 -6.569 57 2HB HIS 70 3HB HIS 70 -0.382 10.184 -6.793 58 HD1 HIS 70 1HD HIS 70 1.913 9.198 -7.118 59 HD2 HIS 70 2HD HIS 70 0.093 7.869 -3.634 60 HE1 HIS 70 1HE HIS 70 3.706 7.983 -5.851 61 HE2 HIS 70 2HE HIS 70 2.625 7.347 -3.670 62 H SER 71 HN SER 71 -3.681 10.808 -6.170 63 HA SER 71 HA SER 71 -5.629 9.490 -4.672 64 1HB SER 71 2HB SER 71 -6.149 9.780 -7.579 65 2HB SER 71 3HB SER 71 -7.123 10.295 -6.203 66 HG SER 71 HG SER 71 -5.647 12.024 -5.913 67 H TYR 72 HN TYR 72 -6.140 7.409 -4.465 68 HA TYR 72 HA TYR 72 -5.028 5.529 -6.435 69 1HB TYR 72 2HB TYR 72 -4.398 5.269 -4.013 70 2HB TYR 72 3HB TYR 72 -6.071 4.850 -3.691 71 HD1 TYR 72 1HD TYR 72 -3.776 3.871 -6.472 72 HD2 TYR 72 2HD TYR 72 -6.160 2.597 -3.189 73 HE1 TYR 72 1HE TYR 72 -3.329 1.527 -7.061 74 HE2 TYR 72 2HE TYR 72 -5.706 0.253 -3.762 75 HH TYR 72 HH TYR 72 -4.575 -0.736 -6.661 76 H GLU 73 HN GLU 73 -6.195 3.895 -7.334 77 HA GLU 73 HA GLU 73 -9.069 3.800 -6.885 78 1HB GLU 73 2HB GLU 73 -7.791 4.877 -9.166 79 2HB GLU 73 3HB GLU 73 -8.603 3.400 -9.643 80 1HG GLU 73 2HG GLU 73 -10.698 4.219 -8.931 81 2HG GLU 73 3HG GLU 73 -9.945 5.564 -8.073 82 HA PRO 74 HA PRO 74 -7.422 -0.406 -6.169 83 1HB PRO 74 2HB PRO 74 -10.220 -1.126 -6.122 84 2HB PRO 74 3HB PRO 74 -9.066 -1.078 -4.789 85 1HG PRO 74 2HG PRO 74 -11.049 0.930 -5.614 86 2HG PRO 74 3HG PRO 74 -10.249 0.712 -4.049 87 1HD PRO 74 2HD PRO 74 -9.654 2.782 -5.688 88 2HD PRO 74 3HD PRO 74 -8.426 2.000 -4.667 89 H SER 75 HN SER 75 -6.875 -1.832 -7.649 90 HA SER 75 HA SER 75 -8.627 -2.240 -9.978 91 1HB SER 75 2HB SER 75 -6.722 -0.883 -10.685 92 2HB SER 75 3HB SER 75 -5.603 -2.057 -9.993 93 HG SER 75 HG SER 75 -6.856 -2.079 -12.398 94 H HIS 76 HN HIS 76 -6.068 -3.571 -7.922 95 HA HIS 76 HA HIS 76 -6.406 -6.240 -8.950 96 1HB HIS 76 2HB HIS 76 -4.662 -4.920 -6.934 97 2HB HIS 76 3HB HIS 76 -4.962 -6.642 -6.723 98 HD1 HIS 76 1HD HIS 76 -2.864 -7.716 -7.506 99 HD2 HIS 76 2HD HIS 76 -4.186 -4.773 -10.125 100 HE1 HIS 76 1HE HIS 76 -1.326 -7.842 -9.491 101 HE2 HIS 76 2HE HIS 76 -2.095 -5.999 -11.028 102 H ASP 77 HN ASP 77 -7.013 -8.070 -7.594 103 HA ASP 77 HA ASP 77 -9.487 -7.638 -6.289 104 1HB ASP 77 2HB ASP 77 -7.728 -9.973 -6.822 105 2HB ASP 77 3HB ASP 77 -8.901 -10.140 -5.518 106 H GLY 78 HN GLY 78 -10.039 -7.559 -4.154 107 1HA GLY 78 1HA GLY 78 -9.788 -7.314 -1.881 108 2HA GLY 78 2HA GLY 78 -8.339 -8.297 -2.019 109 H ASP 79 HN ASP 79 -8.998 -5.159 -3.534 110 HA ASP 79 HA ASP 79 -6.661 -4.105 -2.094 111 1HB ASP 79 2HB ASP 79 -7.856 -3.326 -4.753 112 2HB ASP 79 3HB ASP 79 -6.592 -2.401 -3.948 113 H LEU 80 HN LEU 80 -6.700 -1.916 -1.397 114 HA LEU 80 HA LEU 80 -9.401 -0.972 -0.714 115 1HB LEU 80 2HB LEU 80 -8.439 -1.382 1.337 116 2HB LEU 80 3HB LEU 80 -6.820 -1.030 0.772 117 HG LEU 80 HG LEU 80 -7.447 1.398 0.752 118 1HD1 LEU 80 1HD1 LEU 80 -9.992 0.232 1.701 119 2HD1 LEU 80 2HD1 LEU 80 -9.445 1.706 2.502 120 3HD1 LEU 80 3HD1 LEU 80 -9.693 1.690 0.755 121 1HD2 LEU 80 1HD2 LEU 80 -7.643 -0.026 3.400 122 2HD2 LEU 80 2HD2 LEU 80 -6.149 0.393 2.564 123 3HD2 LEU 80 3HD2 LEU 80 -7.212 1.666 3.161 124 H GLY 81 HN GLY 81 -10.006 1.033 -1.335 125 1HA GLY 81 1HA GLY 81 -8.072 2.549 -2.928 126 2HA GLY 81 2HA GLY 81 -9.812 2.742 -2.981 127 H PHE 82 HN PHE 82 -7.609 4.681 -2.608 128 HA PHE 82 HA PHE 82 -8.796 6.096 -0.374 129 1HB PHE 82 2HB PHE 82 -6.374 6.665 0.401 130 2HB PHE 82 3HB PHE 82 -7.119 5.160 0.920 131 HD1 PHE 82 1HD PHE 82 -6.624 3.084 -0.599 132 HD2 PHE 82 2HD PHE 82 -4.263 6.620 -0.520 133 HE1 PHE 82 1HE PHE 82 -4.723 1.835 -1.530 134 HE2 PHE 82 2HE PHE 82 -2.348 5.366 -1.447 135 HZ PHE 82 HZ PHE 82 -2.584 2.971 -1.947 136 H GLU 83 HN GLU 83 -7.526 8.295 -0.153 137 HA GLU 83 HA GLU 83 -7.275 9.341 -2.892 138 1HB GLU 83 2HB GLU 83 -8.636 10.261 -0.489 139 2HB GLU 83 3HB GLU 83 -7.598 11.499 -1.175 140 1HG GLU 83 2HG GLU 83 -8.913 10.463 -3.366 141 2HG GLU 83 3HG GLU 83 -10.140 10.473 -2.102 142 H LYS 84 HN LYS 84 -5.932 11.497 -2.845 143 HA LYS 84 HA LYS 84 -3.287 10.765 -2.015 144 1HB LYS 84 2HB LYS 84 -3.388 11.947 -4.044 145 2HB LYS 84 3HB LYS 84 -4.467 13.164 -3.383 146 1HG LYS 84 2HG LYS 84 -2.510 13.810 -1.867 147 2HG LYS 84 3HG LYS 84 -1.519 12.832 -2.947 148 1HD LYS 84 2HD LYS 84 -2.382 14.199 -4.846 149 2HD LYS 84 3HD LYS 84 -3.159 15.252 -3.665 150 1HE LYS 84 2HE LYS 84 -0.879 15.558 -2.624 151 2HE LYS 84 3HE LYS 84 -0.217 14.744 -4.041 152 1HZ LYS 84 1HZ LYS 84 -1.653 17.330 -3.932 153 2HZ LYS 84 2HZ LYS 84 -1.413 16.494 -5.382 154 3HZ LYS 84 3HZ LYS 84 -0.083 17.029 -4.486 155 H GLY 85 HN GLY 85 -2.233 11.345 -0.213 156 1HA GLY 85 1HA GLY 85 -1.745 12.522 1.749 157 2HA GLY 85 2HA GLY 85 -3.105 13.594 1.407 158 H GLU 86 HN GLU 86 -4.535 10.787 0.975 159 HA GLU 86 HA GLU 86 -5.980 10.752 3.353 160 1HB GLU 86 2HB GLU 86 -6.214 9.533 0.939 161 2HB GLU 86 3HB GLU 86 -5.654 8.188 1.914 162 1HG GLU 86 2HG GLU 86 -8.255 9.104 1.597 163 2HG GLU 86 3HG GLU 86 -7.680 7.855 2.680 164 H GLN 87 HN GLN 87 -6.064 8.867 4.871 165 HA GLN 87 HA GLN 87 -3.346 7.890 5.423 166 1HB GLN 87 2HB GLN 87 -5.348 8.460 7.586 167 2HB GLN 87 3HB GLN 87 -3.622 8.189 7.742 168 1HG GLN 87 2HG GLN 87 -3.097 10.312 7.273 169 2HG GLN 87 3HG GLN 87 -4.373 10.472 6.072 170 1HE2 GLN 87 1HE2 GLN 87 -4.277 9.794 9.555 171 2HE2 GLN 87 2HE2 GLN 87 -5.410 11.020 9.999 172 H LEU 88 HN LEU 88 -3.110 5.887 6.231 173 HA LEU 88 HA LEU 88 -5.433 4.160 6.580 174 1HB LEU 88 2HB LEU 88 -3.281 3.037 4.885 175 2HB LEU 88 3HB LEU 88 -4.993 2.677 4.906 176 HG LEU 88 HG LEU 88 -4.397 5.364 3.911 177 1HD1 LEU 88 1HD1 LEU 88 -2.493 3.628 3.178 178 2HD1 LEU 88 2HD1 LEU 88 -3.712 3.276 1.950 179 3HD1 LEU 88 3HD1 LEU 88 -3.092 4.917 2.131 180 1HD2 LEU 88 1HD2 LEU 88 -6.005 4.741 2.250 181 2HD2 LEU 88 2HD2 LEU 88 -5.865 3.035 2.695 182 3HD2 LEU 88 3HD2 LEU 88 -6.587 4.189 3.823 183 H ARG 89 HN ARG 89 -5.123 2.850 8.219 184 HA ARG 89 HA ARG 89 -2.567 2.769 9.516 185 1HB ARG 89 2HB ARG 89 -4.424 2.936 10.963 186 2HB ARG 89 3HB ARG 89 -5.291 1.650 10.136 187 1HG ARG 89 2HG ARG 89 -3.726 0.027 10.964 188 2HG ARG 89 3HG ARG 89 -2.777 1.299 11.719 189 1HD ARG 89 2HD ARG 89 -4.918 1.906 12.953 190 2HD ARG 89 3HD ARG 89 -5.517 0.336 12.447 191 HE ARG 89 HE ARG 89 -2.952 0.322 13.784 192 1HH1 ARG 89 2HH1 ARG 89 -6.416 0.035 14.136 193 2HH1 ARG 89 1HH1 ARG 89 -6.317 -0.834 15.630 194 1HH2 ARG 89 2HH2 ARG 89 -2.827 -0.821 15.752 195 2HH2 ARG 89 1HH2 ARG 89 -4.282 -1.318 16.548 196 H ILE 90 HN ILE 90 -1.117 1.573 8.504 197 HA ILE 90 HA ILE 90 -1.603 -0.619 6.864 198 HB ILE 90 HB ILE 90 0.968 -0.106 8.358 199 1HG1 ILE 90 2HG1 ILE 90 0.167 1.910 7.186 200 2HG1 ILE 90 3HG1 ILE 90 1.634 1.277 6.469 201 1HG2 ILE 90 1HG2 ILE 90 0.284 -2.203 6.739 202 2HG2 ILE 90 2HG2 ILE 90 1.066 -1.089 5.618 203 3HG2 ILE 90 3HG2 ILE 90 1.926 -1.643 7.054 204 1HD1 ILE 90 1HD1 ILE 90 -0.538 0.087 5.121 205 2HD1 ILE 90 2HD1 ILE 90 -0.872 1.814 5.246 206 3HD1 ILE 90 3HD1 ILE 90 0.628 1.258 4.503 207 H LEU 91 HN LEU 91 -2.475 -2.434 7.382 208 HA LEU 91 HA LEU 91 -2.302 -3.587 10.020 209 1HB LEU 91 2HB LEU 91 -3.380 -4.885 7.525 210 2HB LEU 91 3HB LEU 91 -3.829 -5.210 9.187 211 HG LEU 91 HG LEU 91 -4.434 -2.680 7.662 212 1HD1 LEU 91 1HD1 LEU 91 -5.919 -5.185 8.033 213 2HD1 LEU 91 2HD1 LEU 91 -6.837 -3.700 8.293 214 3HD1 LEU 91 3HD1 LEU 91 -6.017 -3.972 6.756 215 1HD2 LEU 91 1HD2 LEU 91 -4.585 -1.788 9.707 216 2HD2 LEU 91 2HD2 LEU 91 -6.068 -2.729 9.859 217 3HD2 LEU 91 3HD2 LEU 91 -4.552 -3.364 10.497 218 H GLU 92 HN GLU 92 -1.245 -4.320 6.759 219 HA GLU 92 HA GLU 92 1.070 -5.742 7.795 220 1HB GLU 92 2HB GLU 92 -1.165 -7.061 6.568 221 2HB GLU 92 3HB GLU 92 0.247 -7.210 5.527 222 1HG GLU 92 2HG GLU 92 1.002 -8.836 6.812 223 2HG GLU 92 3HG GLU 92 1.131 -7.685 8.146 224 H GLN 93 HN GLN 93 2.801 -5.894 6.202 225 HA GLN 93 HA GLN 93 2.433 -4.206 3.860 226 1HB GLN 93 2HB GLN 93 4.825 -3.299 4.625 227 2HB GLN 93 3HB GLN 93 3.322 -2.513 5.067 228 1HG GLN 93 2HG GLN 93 3.326 -3.793 7.154 229 2HG GLN 93 3HG GLN 93 4.876 -4.455 6.691 230 1HE2 GLN 93 1HE2 GLN 93 6.698 -3.078 6.603 231 2HE2 GLN 93 2HE2 GLN 93 6.732 -1.588 7.477 232 H SER 94 HN SER 94 2.718 -7.011 4.013 233 HA SER 94 HA SER 94 5.451 -7.621 3.296 234 1HB SER 94 2HB SER 94 4.812 -9.608 4.091 235 2HB SER 94 3HB SER 94 3.122 -9.115 4.118 236 HG SER 94 HG SER 94 2.955 -9.758 1.956 237 H GLY 95 HN GLY 95 6.250 -7.768 1.291 238 1HA GLY 95 1HA GLY 95 6.313 -7.859 -1.025 239 2HA GLY 95 2HA GLY 95 4.605 -8.249 -1.004 240 H GLU 96 HN GLU 96 5.623 -6.699 -2.933 241 HA GLU 96 HA GLU 96 5.765 -3.982 -2.679 242 1HB GLU 96 2HB GLU 96 6.159 -4.537 -4.825 243 2HB GLU 96 3HB GLU 96 5.019 -5.876 -4.784 244 1HG GLU 96 2HG GLU 96 3.200 -4.434 -5.087 245 2HG GLU 96 3HG GLU 96 4.219 -3.006 -4.937 246 H TRP 97 HN TRP 97 2.980 -5.955 -2.155 247 HA TRP 97 HA TRP 97 1.276 -3.559 -2.146 248 1HB TRP 97 2HB TRP 97 0.668 -6.472 -2.567 249 2HB TRP 97 3HB TRP 97 -0.593 -5.333 -2.108 250 HD1 TRP 97 1HD TRP 97 1.766 -6.167 -5.011 251 HE1 TRP 97 1HE TRP 97 0.906 -4.994 -7.134 252 HE3 TRP 97 3HE TRP 97 -1.993 -3.395 -2.940 253 HZ2 TRP 97 2HZ TRP 97 -1.099 -3.134 -7.835 254 HZ3 TRP 97 3HZ TRP 97 -3.332 -1.942 -4.396 255 HH2 TRP 97 2HH TRP 97 -2.889 -1.812 -6.797 256 H TRP 98 HN TRP 98 0.865 -2.728 -0.212 257 HA TRP 98 HA TRP 98 1.149 -4.417 2.160 258 1HB TRP 98 2HB TRP 98 1.118 -1.427 1.814 259 2HB TRP 98 3HB TRP 98 1.136 -2.226 3.378 260 HD1 TRP 98 1HD TRP 98 3.238 -4.328 1.344 261 HE1 TRP 98 1HE TRP 98 5.730 -3.737 1.620 262 HE3 TRP 98 3HE TRP 98 2.713 0.211 3.564 263 HZ2 TRP 98 2HZ TRP 98 7.270 -1.584 2.646 264 HZ3 TRP 98 3HZ TRP 98 4.727 1.497 4.161 265 HH2 TRP 98 2HH TRP 98 6.963 0.610 3.713 266 H LYS 99 HN LYS 99 -0.414 -4.635 3.694 267 HA LYS 99 HA LYS 99 -3.139 -4.074 2.856 268 1HB LYS 99 2HB LYS 99 -2.701 -6.296 3.720 269 2HB LYS 99 3HB LYS 99 -1.987 -5.628 5.178 270 1HG LYS 99 2HG LYS 99 -4.386 -6.562 5.269 271 2HG LYS 99 3HG LYS 99 -4.027 -5.035 6.075 272 1HD LYS 99 2HD LYS 99 -5.068 -3.779 4.455 273 2HD LYS 99 3HD LYS 99 -5.008 -5.075 3.257 274 1HE LYS 99 2HE LYS 99 -6.477 -5.965 5.546 275 2HE LYS 99 3HE LYS 99 -7.116 -4.411 5.018 276 1HZ LYS 99 1HZ LYS 99 -6.771 -5.828 2.707 277 2HZ LYS 99 2HZ LYS 99 -8.240 -5.564 3.505 278 3HZ LYS 99 3HZ LYS 99 -7.361 -6.980 3.798 279 H ALA 100 HN ALA 100 -4.009 -2.158 3.403 280 HA ALA 100 HA ALA 100 -3.224 -0.997 5.997 281 1HB ALA 100 1HB ALA 100 -4.197 0.785 3.824 282 2HB ALA 100 2HB ALA 100 -3.050 1.103 5.129 283 3HB ALA 100 3HB ALA 100 -2.546 0.162 3.723 284 H GLN 101 HN GLN 101 -4.775 -0.087 7.270 285 HA GLN 101 HA GLN 101 -7.545 -0.573 6.410 286 1HB GLN 101 2HB GLN 101 -7.067 -1.870 8.371 287 2HB GLN 101 3HB GLN 101 -6.333 -0.500 9.183 288 1HG GLN 101 2HG GLN 101 -8.604 0.578 8.985 289 2HG GLN 101 3HG GLN 101 -9.226 -1.004 8.578 290 1HE2 GLN 101 1HE2 GLN 101 -7.689 0.926 11.055 291 2HE2 GLN 101 2HE2 GLN 101 -8.101 -0.095 12.385 292 H SER 102 HN SER 102 -8.411 1.236 5.710 293 HA SER 102 HA SER 102 -7.447 3.784 5.989 294 1HB SER 102 2HB SER 102 -9.848 2.506 5.036 295 2HB SER 102 3HB SER 102 -10.221 4.017 5.823 296 HG SER 102 HG SER 102 -9.770 4.571 3.762 297 H LEU 103 HN LEU 103 -8.582 5.624 7.140 298 HA LEU 103 HA LEU 103 -9.341 4.755 9.851 299 1HB LEU 103 2HB LEU 103 -7.443 6.904 9.002 300 2HB LEU 103 3HB LEU 103 -8.184 6.896 10.587 301 HG LEU 103 HG LEU 103 -7.259 4.340 10.437 302 1HD1 LEU 103 1HD1 LEU 103 -6.141 4.537 8.393 303 2HD1 LEU 103 2HD1 LEU 103 -5.430 6.088 8.836 304 3HD1 LEU 103 3HD1 LEU 103 -4.885 4.610 9.629 305 1HD2 LEU 103 1HD2 LEU 103 -6.941 6.220 12.193 306 2HD2 LEU 103 2HD2 LEU 103 -5.765 4.905 12.093 307 3HD2 LEU 103 3HD2 LEU 103 -5.398 6.478 11.377 308 H THR 104 HN THR 104 -9.980 6.846 7.201 309 HA THR 104 HA THR 104 -11.809 8.534 8.669 310 HB THR 104 HB THR 104 -11.679 8.318 5.678 311 HG1 THR 104 1HG THR 104 -9.555 8.519 6.099 312 1HG2 THR 104 1HG2 THR 104 -13.251 9.879 6.325 313 2HG2 THR 104 2HG2 THR 104 -11.810 10.834 5.967 314 3HG2 THR 104 3HG2 THR 104 -12.243 10.482 7.641 315 H THR 105 HN THR 105 -11.829 5.925 6.374 316 HA THR 105 HA THR 105 -14.725 5.507 6.672 317 HB THR 105 HB THR 105 -14.717 4.679 4.548 318 HG1 THR 105 1HG THR 105 -12.747 3.794 3.589 319 1HG2 THR 105 1HG2 THR 105 -13.194 5.878 3.059 320 2HG2 THR 105 2HG2 THR 105 -12.252 6.377 4.465 321 3HG2 THR 105 3HG2 THR 105 -13.914 6.937 4.272 322 H GLY 106 HN GLY 106 -11.588 4.130 6.824 323 1HA GLY 106 1HA GLY 106 -10.701 2.484 8.073 324 2HA GLY 106 2HA GLY 106 -12.287 2.105 8.687 325 H GLN 107 HN GLN 107 -12.535 2.176 5.389 326 HA GLN 107 HA GLN 107 -13.025 -0.483 5.046 327 1HB GLN 107 2HB GLN 107 -12.334 1.758 3.265 328 2HB GLN 107 3HB GLN 107 -12.356 0.141 2.585 329 1HG GLN 107 2HG GLN 107 -14.532 0.479 2.306 330 2HG GLN 107 3HG GLN 107 -14.638 0.192 4.041 331 1HE2 GLN 107 1HE2 GLN 107 -14.208 2.740 1.633 332 2HE2 GLN 107 2HE2 GLN 107 -14.994 3.979 2.544 333 H GLU 108 HN GLU 108 -11.833 -2.210 5.075 334 HA GLU 108 HA GLU 108 -8.939 -1.963 5.086 335 1HB GLU 108 2HB GLU 108 -10.694 -4.369 5.545 336 2HB GLU 108 3HB GLU 108 -8.958 -4.327 5.755 337 1HG GLU 108 2HG GLU 108 -9.151 -3.514 7.788 338 2HG GLU 108 3HG GLU 108 -10.201 -2.212 7.240 339 H GLY 109 HN GLY 109 -7.528 -2.990 3.700 340 1HA GLY 109 1HA GLY 109 -8.101 -4.810 1.702 341 2HA GLY 109 2HA GLY 109 -8.398 -3.229 0.999 342 H PHE 110 HN PHE 110 -6.551 -4.505 -0.276 343 HA PHE 110 HA PHE 110 -3.924 -4.086 0.846 344 1HB PHE 110 2HB PHE 110 -5.087 -5.456 -1.504 345 2HB PHE 110 3HB PHE 110 -3.478 -4.796 -1.722 346 HD1 PHE 110 1HD PHE 110 -5.043 -6.337 1.276 347 HD2 PHE 110 2HD PHE 110 -2.045 -6.617 -1.734 348 HE1 PHE 110 1HE PHE 110 -4.092 -8.305 2.409 349 HE2 PHE 110 2HE PHE 110 -1.091 -8.585 -0.607 350 HZ PHE 110 HZ PHE 110 -2.115 -9.431 1.467 351 H ILE 111 HN ILE 111 -2.305 -2.759 -0.215 352 HA ILE 111 HA ILE 111 -3.283 -0.761 -2.095 353 HB ILE 111 HB ILE 111 -2.553 1.137 -0.741 354 1HG1 ILE 111 2HG1 ILE 111 -2.384 -0.547 1.713 355 2HG1 ILE 111 3HG1 ILE 111 -1.014 -0.555 0.612 356 1HG2 ILE 111 1HG2 ILE 111 -4.436 -0.432 0.983 357 2HG2 ILE 111 2HG2 ILE 111 -4.448 1.289 0.594 358 3HG2 ILE 111 3HG2 ILE 111 -4.907 0.106 -0.629 359 1HD1 ILE 111 1HD1 ILE 111 -1.256 2.043 0.786 360 2HD1 ILE 111 2HD1 ILE 111 -2.070 1.641 2.298 361 3HD1 ILE 111 3HD1 ILE 111 -0.407 1.116 2.026 362 HA PRO 112 HA PRO 112 0.713 -1.034 -3.874 363 1HB PRO 112 2HB PRO 112 0.938 1.688 -4.530 364 2HB PRO 112 3HB PRO 112 0.255 0.423 -5.553 365 1HG PRO 112 2HG PRO 112 -1.124 2.417 -3.852 366 2HG PRO 112 3HG PRO 112 -1.651 1.663 -5.355 367 1HD PRO 112 2HD PRO 112 -2.646 0.969 -2.950 368 2HD PRO 112 3HD PRO 112 -2.495 -0.175 -4.290 369 H PHE 113 HN PHE 113 2.354 -1.338 -2.456 370 HA PHE 113 HA PHE 113 2.842 0.113 -0.152 371 1HB PHE 113 2HB PHE 113 4.801 -1.120 0.095 372 2HB PHE 113 3HB PHE 113 3.805 -2.159 -0.917 373 HD1 PHE 113 1HD PHE 113 4.188 -0.837 -3.558 374 HD2 PHE 113 2HD PHE 113 6.966 -1.736 -0.463 375 HE1 PHE 113 1HE PHE 113 6.002 -0.923 -5.217 376 HE2 PHE 113 2HE PHE 113 8.784 -1.827 -2.117 377 HZ PHE 113 HZ PHE 113 8.304 -1.419 -4.497 378 H ASN 114 HN ASN 114 3.584 0.987 -3.400 379 HA ASN 114 HA ASN 114 5.451 3.059 -2.499 380 1HB ASN 114 2HB ASN 114 5.791 3.377 -5.003 381 2HB ASN 114 3HB ASN 114 6.355 1.853 -4.328 382 1HD2 ASN 114 1HD2 ASN 114 4.548 3.289 -6.729 383 2HD2 ASN 114 2HD2 ASN 114 3.697 1.895 -7.293 384 H PHE 115 HN PHE 115 2.580 3.192 -1.999 385 HA PHE 115 HA PHE 115 1.911 5.576 -3.605 386 1HB PHE 115 2HB PHE 115 0.434 3.202 -3.218 387 2HB PHE 115 3HB PHE 115 -0.384 4.446 -2.290 388 HD1 PHE 115 1HD PHE 115 1.425 4.624 -5.544 389 HD2 PHE 115 2HD PHE 115 -2.252 5.043 -3.452 390 HE1 PHE 115 1HE PHE 115 0.357 5.471 -7.593 391 HE2 PHE 115 2HE PHE 115 -3.323 5.887 -5.484 392 HZ PHE 115 HZ PHE 115 -2.023 6.105 -7.568 393 H VAL 116 HN VAL 116 2.199 4.206 -0.413 394 HA VAL 116 HA VAL 116 1.207 6.725 0.734 395 HB VAL 116 HB VAL 116 0.908 5.428 2.843 396 1HG1 VAL 116 1HG1 VAL 116 -1.091 5.767 1.801 397 2HG1 VAL 116 2HG1 VAL 116 -0.596 4.925 0.332 398 3HG1 VAL 116 3HG1 VAL 116 -1.030 4.004 1.772 399 1HG2 VAL 116 1HG2 VAL 116 0.771 2.938 2.589 400 2HG2 VAL 116 2HG2 VAL 116 1.584 3.111 1.036 401 3HG2 VAL 116 3HG2 VAL 116 2.408 3.591 2.521 402 H ALA 117 HN ALA 117 2.236 7.708 2.419 403 HA ALA 117 HA ALA 117 4.933 6.810 3.128 404 1HB ALA 117 1HB ALA 117 5.243 9.527 3.060 405 2HB ALA 117 2HB ALA 117 5.775 8.417 1.796 406 3HB ALA 117 3HB ALA 117 4.222 9.240 1.650 407 H LYS 118 HN LYS 118 5.474 7.234 5.256 408 HA LYS 118 HA LYS 118 3.641 7.312 7.219 409 1HB LYS 118 2HB LYS 118 6.465 7.841 7.055 410 2HB LYS 118 3HB LYS 118 5.733 8.889 8.258 411 1HG LYS 118 2HG LYS 118 6.630 6.643 9.043 412 2HG LYS 118 3HG LYS 118 5.000 7.089 9.553 413 1HD LYS 118 2HD LYS 118 4.006 5.518 8.222 414 2HD LYS 118 3HD LYS 118 5.309 5.544 7.034 415 1HE LYS 118 2HE LYS 118 5.406 4.279 9.771 416 2HE LYS 118 3HE LYS 118 5.291 3.427 8.232 417 1HZ LYS 118 1HZ LYS 118 7.582 4.921 9.345 418 2HZ LYS 118 2HZ LYS 118 7.463 4.627 7.683 419 3HZ LYS 118 3HZ LYS 118 7.532 3.331 8.767 420 H ALA 119 HN ALA 119 2.462 8.741 8.394 421 HA ALA 119 HA ALA 119 1.766 11.219 7.166 422 1HB ALA 119 1HB ALA 119 -0.058 10.386 8.273 423 2HB ALA 119 2HB ALA 119 0.902 9.772 9.625 424 3HB ALA 119 3HB ALA 119 0.551 11.495 9.501 425 H ASN 120 HN ASN 120 4.404 11.486 7.498 426 HA ASN 120 HA ASN 120 4.590 13.574 9.548 427 1HB ASN 120 2HB ASN 120 5.690 11.269 10.161 428 2HB ASN 120 3HB ASN 120 6.959 11.805 9.063 429 1HD2 ASN 120 1HD2 ASN 120 6.437 11.520 12.139 430 2HD2 ASN 120 2HD2 ASN 120 7.181 12.947 12.767
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