NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
588789 | 2rv4 | 11484 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 1H GLY 1 -24.263 -12.119 -3.669 2 H2 GLY 1 2H GLY 1 -22.834 -12.049 -4.468 3 H3 GLY 1 3H GLY 1 -24.132 -12.753 -5.173 4 HA2 GLY 1 1HA GLY 1 -25.305 -10.656 -5.271 5 HA3 GLY 1 2HA GLY 1 -23.910 -9.892 -4.487 6 H SER 2 H SER 2 -25.121 -9.311 -7.125 7 HA SER 2 HA SER 2 -23.357 -10.333 -9.198 8 HB2 SER 2 1HB SER 2 -24.627 -8.756 -10.634 9 HB3 SER 2 2HB SER 2 -25.661 -9.845 -9.694 10 HG SER 2 HG SER 2 -26.396 -7.660 -9.626 11 H SER 3 H SER 3 -23.165 -7.601 -7.056 12 HA SER 3 HA SER 3 -20.584 -6.794 -8.221 13 HB2 SER 3 1HB SER 3 -22.350 -5.425 -9.393 14 HB3 SER 3 2HB SER 3 -22.799 -4.745 -7.817 15 HG SER 3 HG SER 3 -21.266 -3.450 -8.982 16 H GLY 4 H GLY 4 -19.353 -5.407 -6.787 17 HA2 GLY 4 1HA GLY 4 -20.071 -4.514 -4.231 18 HA3 GLY 4 2HA GLY 4 -19.474 -6.161 -4.010 19 H SER 5 H SER 5 -18.178 -4.165 -2.762 20 HA SER 5 HA SER 5 -15.973 -3.051 -4.275 21 HB2 SER 5 1HB SER 5 -16.447 -3.045 -1.278 22 HB3 SER 5 2HB SER 5 -15.325 -2.008 -2.184 23 HG SER 5 HG SER 5 -17.324 -0.956 -1.740 24 H SER 6 H SER 6 -15.815 -5.815 -4.548 25 HA SER 6 HA SER 6 -13.952 -7.022 -2.686 26 HB2 SER 6 1HB SER 6 -14.790 -7.910 -5.471 27 HB3 SER 6 2HB SER 6 -13.939 -8.896 -4.265 28 HG SER 6 HG SER 6 -16.207 -9.273 -4.242 29 H GLY 7 H GLY 7 -11.790 -7.567 -2.957 30 HA2 GLY 7 1HA GLY 7 -9.666 -7.633 -3.810 31 HA3 GLY 7 2HA GLY 7 -10.324 -7.202 -5.386 32 H ILE 8 H ILE 8 -11.010 -4.815 -2.993 33 HA ILE 8 HA ILE 8 -9.326 -2.885 -4.338 34 HB ILE 8 HB ILE 8 -10.257 -1.252 -2.782 35 HG12 ILE 8 1HG1 ILE 8 -11.703 -3.581 -1.436 36 HG13 ILE 8 2HG1 ILE 8 -10.351 -2.687 -0.744 37 HG21 ILE 8 1HG2 ILE 8 -12.396 -3.109 -3.902 38 HG22 ILE 8 2HG2 ILE 8 -12.538 -1.365 -3.600 39 HG23 ILE 8 3HG2 ILE 8 -11.443 -1.953 -4.852 40 HD11 ILE 8 3HD1 ILE 8 -12.391 -1.857 0.217 41 HD12 ILE 8 1HD1 ILE 8 -11.702 -0.592 -0.818 42 HD13 ILE 8 2HD1 ILE 8 -13.098 -1.550 -1.375 43 H LYS 9 H LYS 9 -8.614 -4.945 -1.710 44 HA LYS 9 HA LYS 9 -6.857 -3.163 -0.242 45 HB2 LYS 9 1HB LYS 9 -7.000 -6.200 -0.079 46 HB3 LYS 9 2HB LYS 9 -6.276 -5.087 1.086 47 HG2 LYS 9 1HG LYS 9 -8.704 -4.005 1.128 48 HG3 LYS 9 2HG LYS 9 -9.206 -5.566 0.472 49 HD2 LYS 9 1HD LYS 9 -8.212 -6.716 2.442 50 HD3 LYS 9 2HD LYS 9 -7.628 -5.156 3.053 51 HE2 LYS 9 1HE LYS 9 -10.136 -4.408 2.872 52 HE3 LYS 9 2HE LYS 9 -10.492 -6.139 2.794 53 HZ1 LYS 9 3HZ LYS 9 -9.264 -6.342 4.945 54 HZ2 LYS 9 1HZ LYS 9 -10.563 -5.355 5.079 55 HZ3 LYS 9 2HZ LYS 9 -9.067 -4.706 4.975 56 H GLN 10 H GLN 10 -4.616 -3.307 0.042 57 HA GLN 10 HA GLN 10 -3.112 -4.083 -2.432 58 HB2 GLN 10 1HB GLN 10 -2.855 -1.473 -0.894 59 HB3 GLN 10 2HB GLN 10 -2.008 -1.927 -2.373 60 HG2 GLN 10 1HG GLN 10 -4.992 -1.380 -2.102 61 HG3 GLN 10 2HG GLN 10 -3.796 -0.330 -2.833 62 HE21 GLN 10 1HE2 GLN 10 -6.284 -1.892 -3.889 63 HE22 GLN 10 2HE2 GLN 10 -5.643 -2.586 -5.379 64 H HIS 11 H HIS 11 -0.747 -4.107 -2.172 65 HA HIS 11 HA HIS 11 0.176 -4.680 0.594 66 HB2 HIS 11 1HB HIS 11 1.357 -6.624 -0.089 67 HB3 HIS 11 2HB HIS 11 -0.318 -6.811 -0.587 68 HD1 HIS 11 1HD HIS 11 -0.752 -6.777 -3.301 69 HD2 HIS 11 2HD HIS 11 3.240 -6.488 -2.004 70 HE1 HIS 11 1HE HIS 11 0.696 -7.133 -5.365 71 H CYS 12 H CYS 12 2.297 -4.278 1.076 72 HA CYS 12 HA CYS 12 3.713 -2.259 -0.482 73 HB2 CYS 12 1HB CYS 12 3.638 -2.242 1.969 74 HB3 CYS 12 2HB CYS 12 4.439 -3.830 2.015 75 H ARG 13 H ARG 13 5.169 -2.582 -1.993 76 HA ARG 13 HA ARG 13 5.958 -5.301 -2.745 77 HB2 ARG 13 1HB ARG 13 5.323 -3.182 -4.254 78 HB3 ARG 13 2HB ARG 13 7.038 -2.824 -4.093 79 HG2 ARG 13 1HG ARG 13 6.690 -4.032 -6.136 80 HG3 ARG 13 2HG ARG 13 7.524 -5.134 -5.037 81 HD2 ARG 13 1HD ARG 13 5.364 -6.255 -4.522 82 HD3 ARG 13 2HD ARG 13 4.514 -5.100 -5.565 83 HE ARG 13 HE ARG 13 6.513 -6.280 -7.149 84 HH11 ARG 13 2HH1 ARG 13 3.623 -7.430 -5.494 85 HH12 ARG 13 1HH1 ARG 13 3.428 -8.756 -6.610 86 HH21 ARG 13 2HH2 ARG 13 6.168 -7.981 -8.530 87 HH22 ARG 13 1HH2 ARG 13 4.814 -9.044 -8.284 88 H PHE 14 H PHE 14 7.230 -3.128 -0.562 89 HA PHE 14 HA PHE 14 10.054 -4.006 -0.947 90 HB2 PHE 14 1HB PHE 14 8.937 -1.852 0.863 91 HB3 PHE 14 2HB PHE 14 10.627 -2.171 0.526 92 HD1 PHE 14 2HD PHE 14 11.590 -1.645 -1.730 93 HD2 PHE 14 1HD PHE 14 7.536 -0.600 -0.692 94 HE1 PHE 14 2HE PHE 14 11.490 -0.091 -3.666 95 HE2 PHE 14 1HE PHE 14 7.442 0.955 -2.625 96 HZ PHE 14 HZ PHE 14 9.415 1.200 -4.123 97 H CYS 15 H CYS 15 7.571 -3.849 1.659 98 HA CYS 15 HA CYS 15 9.142 -5.884 3.176 99 HB2 CYS 15 1HB CYS 15 8.607 -4.826 5.218 100 HB3 CYS 15 2HB CYS 15 9.362 -3.662 4.136 101 H LYS 16 H LYS 16 6.436 -5.766 1.431 102 HA LYS 16 HA LYS 16 4.676 -7.133 1.145 103 HB2 LYS 16 1HB LYS 16 6.384 -9.020 2.788 104 HB3 LYS 16 2HB LYS 16 4.909 -9.484 1.969 105 HG2 LYS 16 1HG LYS 16 6.620 -10.136 0.537 106 HG3 LYS 16 2HG LYS 16 5.833 -8.759 -0.212 107 HD2 LYS 16 1HD LYS 16 8.246 -8.747 -0.561 108 HD3 LYS 16 2HD LYS 16 7.759 -7.320 0.341 109 HE2 LYS 16 1HE LYS 16 8.508 -8.399 2.459 110 HE3 LYS 16 2HE LYS 16 8.907 -9.873 1.570 111 HZ1 LYS 16 3HZ LYS 16 10.582 -8.601 0.336 112 HZ2 LYS 16 1HZ LYS 16 10.881 -8.516 1.935 113 HZ3 LYS 16 2HZ LYS 16 10.230 -7.231 1.163 114 H LYS 17 H LYS 17 4.647 -5.395 3.677 115 HA LYS 17 HA LYS 17 2.472 -6.536 5.256 116 HB2 LYS 17 1HB LYS 17 3.364 -3.642 4.913 117 HB3 LYS 17 2HB LYS 17 2.223 -4.255 6.122 118 HG2 LYS 17 1HG LYS 17 4.013 -5.673 7.105 119 HG3 LYS 17 2HG LYS 17 5.160 -5.063 5.900 120 HD2 LYS 17 1HD LYS 17 4.640 -2.713 6.761 121 HD3 LYS 17 2HD LYS 17 3.804 -3.474 8.119 122 HE2 LYS 17 1HE LYS 17 6.725 -3.906 7.317 123 HE3 LYS 17 2HE LYS 17 6.180 -2.821 8.599 124 HZ1 LYS 17 3HZ LYS 17 6.872 -4.939 9.522 125 HZ2 LYS 17 1HZ LYS 17 5.817 -5.769 8.599 126 HZ3 LYS 17 2HZ LYS 17 5.270 -4.763 9.770 127 H LYS 18 H LYS 18 0.347 -5.314 5.379 128 HA LYS 18 HA LYS 18 -0.786 -4.842 2.641 129 HB2 LYS 18 1HB LYS 18 -1.727 -6.698 4.843 130 HB3 LYS 18 2HB LYS 18 -2.762 -6.203 3.486 131 HG2 LYS 18 1HG LYS 18 -1.120 -7.146 1.878 132 HG3 LYS 18 2HG LYS 18 -0.107 -7.689 3.231 133 HD2 LYS 18 1HD LYS 18 -1.972 -9.107 4.057 134 HD3 LYS 18 2HD LYS 18 -2.969 -8.587 2.680 135 HE2 LYS 18 1HE LYS 18 -1.288 -9.523 1.110 136 HE3 LYS 18 2HE LYS 18 -0.279 -10.020 2.474 137 HZ1 LYS 18 3HZ LYS 18 -2.086 -11.496 3.188 138 HZ2 LYS 18 1HZ LYS 18 -1.639 -11.862 1.664 139 HZ3 LYS 18 2HZ LYS 18 -3.021 -11.037 1.928 140 H TYR 19 H TYR 19 -2.526 -3.573 2.427 141 HA TYR 19 HA TYR 19 -3.680 -2.141 4.763 142 HB2 TYR 19 1HB TYR 19 -2.425 -0.834 2.319 143 HB3 TYR 19 2HB TYR 19 -3.538 -0.005 3.395 144 HD1 TYR 19 1HD TYR 19 -2.949 0.514 5.733 145 HD2 TYR 19 2HD TYR 19 -0.104 -1.290 3.037 146 HE1 TYR 19 1HE TYR 19 -1.112 1.034 7.327 147 HE2 TYR 19 2HE TYR 19 1.737 -0.774 4.644 148 HH TYR 19 HH TYR 19 1.110 0.836 7.790 149 H SER 20 H SER 20 -5.807 -1.381 4.431 150 HA SER 20 HA SER 20 -7.292 -2.948 2.487 151 HB2 SER 20 1HB SER 20 -8.254 -0.933 4.540 152 HB3 SER 20 2HB SER 20 -9.298 -1.959 3.540 153 HG SER 20 HG SER 20 -7.438 -2.760 5.535 154 H ASP 21 H ASP 21 -5.760 -0.045 2.075 155 HA ASP 21 HA ASP 21 -7.207 0.571 -0.393 156 HB2 ASP 21 1HB ASP 21 -7.629 2.889 0.164 157 HB3 ASP 21 2HB ASP 21 -8.446 1.870 1.340 158 H VAL 22 H VAL 22 -6.046 2.230 -1.683 159 HA VAL 22 HA VAL 22 -3.200 1.693 -1.639 160 HB VAL 22 HB VAL 22 -4.687 1.923 -3.661 161 HG11 VAL 22 1HG1 VAL 22 -5.015 4.064 -4.706 162 HG12 VAL 22 2HG1 VAL 22 -5.774 4.090 -3.109 163 HG13 VAL 22 3HG1 VAL 22 -4.216 4.910 -3.371 164 HG21 VAL 22 3HG2 VAL 22 -2.105 3.513 -3.698 165 HG22 VAL 22 1HG2 VAL 22 -2.243 1.747 -3.813 166 HG23 VAL 22 2HG2 VAL 22 -2.916 2.773 -5.091 167 H LYS 23 H LYS 23 -5.103 4.387 -0.404 168 HA LYS 23 HA LYS 23 -2.967 6.320 -0.703 169 HB2 LYS 23 1HB LYS 23 -5.539 6.440 0.936 170 HB3 LYS 23 2HB LYS 23 -4.428 7.792 0.688 171 HG2 LYS 23 1HG LYS 23 -4.807 7.664 -1.770 172 HG3 LYS 23 2HG LYS 23 -5.897 6.300 -1.534 173 HD2 LYS 23 1HD LYS 23 -7.236 8.274 -1.851 174 HD3 LYS 23 2HD LYS 23 -7.425 7.696 -0.201 175 HE2 LYS 23 1HE LYS 23 -7.304 10.080 -0.119 176 HE3 LYS 23 2HE LYS 23 -5.817 9.453 0.586 177 HZ1 LYS 23 3HZ LYS 23 -6.095 10.488 -2.193 178 HZ2 LYS 23 1HZ LYS 23 -4.698 9.940 -1.540 179 HZ3 LYS 23 2HZ LYS 23 -5.398 11.293 -0.959 180 H ASN 24 H ASN 24 -4.192 4.424 2.059 181 HA ASN 24 HA ASN 24 -2.170 5.347 3.925 182 HB2 ASN 24 1HB ASN 24 -4.013 2.931 3.853 183 HB3 ASN 24 2HB ASN 24 -2.855 3.207 5.153 184 HD21 ASN 24 1HD2 ASN 24 -6.059 3.744 4.352 185 HD22 ASN 24 2HD2 ASN 24 -6.325 5.095 5.457 186 H LEU 25 H LEU 25 -2.148 2.744 1.480 187 HA LEU 25 HA LEU 25 0.425 1.712 2.257 188 HB2 LEU 25 1HB LEU 25 -1.039 0.391 0.873 189 HB3 LEU 25 2HB LEU 25 -1.104 1.643 -0.363 190 HG LEU 25 HG LEU 25 1.289 1.325 -0.866 191 HD11 LEU 25 1HD1 LEU 25 2.053 0.467 1.372 192 HD12 LEU 25 2HD1 LEU 25 2.539 -0.548 0.024 193 HD13 LEU 25 3HD1 LEU 25 1.179 -1.047 1.052 194 HD21 LEU 25 3HD2 LEU 25 -0.451 0.054 -2.076 195 HD22 LEU 25 1HD2 LEU 25 -0.255 -1.281 -0.909 196 HD23 LEU 25 2HD2 LEU 25 1.089 -0.813 -1.972 197 H ILE 26 H ILE 26 -0.488 4.304 -0.109 198 HA ILE 26 HA ILE 26 2.197 4.879 -0.909 199 HB ILE 26 HB ILE 26 -0.329 6.555 -0.906 200 HG12 ILE 26 1HG1 ILE 26 1.275 5.397 -3.235 201 HG13 ILE 26 2HG1 ILE 26 0.011 4.479 -2.439 202 HG21 ILE 26 1HG2 ILE 26 0.903 8.144 -2.416 203 HG22 ILE 26 2HG2 ILE 26 1.533 8.154 -0.778 204 HG23 ILE 26 3HG2 ILE 26 2.411 7.271 -2.054 205 HD11 ILE 26 3HD1 ILE 26 -0.892 5.506 -4.430 206 HD12 ILE 26 1HD1 ILE 26 -1.655 6.236 -3.003 207 HD13 ILE 26 2HD1 ILE 26 -0.396 7.118 -3.903 208 H LYS 27 H LYS 27 0.280 6.259 1.810 209 HA LYS 27 HA LYS 27 2.377 7.953 2.822 210 HB2 LYS 27 1HB LYS 27 0.065 6.560 4.218 211 HB3 LYS 27 2HB LYS 27 1.159 7.690 5.026 212 HG2 LYS 27 1HG LYS 27 0.568 9.465 3.393 213 HG3 LYS 27 2HG LYS 27 -0.597 8.384 2.629 214 HD2 LYS 27 1HD LYS 27 -0.684 9.362 5.519 215 HD3 LYS 27 2HD LYS 27 -1.686 9.959 4.185 216 HE2 LYS 27 1HE LYS 27 -2.672 7.695 3.904 217 HE3 LYS 27 2HE LYS 27 -1.676 7.097 5.238 218 HZ1 LYS 27 3HZ LYS 27 -3.809 9.140 5.482 219 HZ2 LYS 27 1HZ LYS 27 -2.826 8.674 6.708 220 HZ3 LYS 27 2HZ LYS 27 -3.846 7.591 6.031 221 H HIS 28 H HIS 28 1.665 4.503 3.574 222 HA HIS 28 HA HIS 28 3.823 4.087 5.382 223 HB2 HIS 28 1HB HIS 28 2.144 2.429 5.217 224 HB3 HIS 28 2HB HIS 28 2.316 2.271 3.478 225 HD1 HIS 28 1HD HIS 28 4.172 1.247 6.680 226 HD2 HIS 28 2HD HIS 28 4.195 0.661 2.520 227 HE1 HIS 28 1HE HIS 28 5.894 -0.558 6.251 228 H ILE 29 H ILE 29 3.802 3.737 1.790 229 HA ILE 29 HA ILE 29 6.534 2.945 1.559 230 HB ILE 29 HB ILE 29 4.647 4.297 -0.391 231 HG12 ILE 29 1HG1 ILE 29 5.721 1.439 -0.396 232 HG13 ILE 29 2HG1 ILE 29 4.238 1.878 0.433 233 HG21 ILE 29 1HG2 ILE 29 6.928 4.876 -1.099 234 HG22 ILE 29 2HG2 ILE 29 7.434 3.176 -0.944 235 HG23 ILE 29 3HG2 ILE 29 6.271 3.674 -2.189 236 HD11 ILE 29 3HD1 ILE 29 4.724 2.120 -2.560 237 HD12 ILE 29 1HD1 ILE 29 3.657 0.990 -1.722 238 HD13 ILE 29 2HD1 ILE 29 3.279 2.725 -1.715 239 H ARG 30 H ARG 30 5.105 6.247 1.347 240 HA ARG 30 HA ARG 30 7.639 7.599 1.024 241 HB2 ARG 30 1HB ARG 30 4.911 8.519 2.037 242 HB3 ARG 30 2HB ARG 30 6.278 9.612 1.788 243 HG2 ARG 30 1HG ARG 30 6.382 9.053 -0.590 244 HG3 ARG 30 2HG ARG 30 5.075 7.872 -0.415 245 HD2 ARG 30 1HD ARG 30 3.522 9.643 0.289 246 HD3 ARG 30 2HD ARG 30 4.798 10.853 0.180 247 HE ARG 30 HE ARG 30 3.300 9.609 -2.022 248 HH11 ARG 30 2HH2 ARG 30 6.168 11.497 -1.302 249 HH12 ARG 30 1HH2 ARG 30 6.287 12.094 -2.934 250 HH21 ARG 30 2HH1 ARG 30 3.523 10.406 -4.080 251 HH22 ARG 30 1HH1 ARG 30 4.830 11.488 -4.456 252 H ASP 31 H ASP 31 5.950 6.580 3.970 253 HA ASP 31 HA ASP 31 7.739 8.058 5.722 254 HB2 ASP 31 1HB ASP 31 5.389 7.531 6.272 255 HB3 ASP 31 2HB ASP 31 5.788 5.811 6.329 256 H MET 32 H MET 32 7.598 4.623 4.669 257 HA MET 32 HA MET 32 9.932 4.020 6.418 258 HB2 MET 32 1HB MET 32 7.957 2.139 5.080 259 HB3 MET 32 2HB MET 32 9.266 1.695 6.175 260 HG2 MET 32 1HG MET 32 8.129 3.391 7.832 261 HG3 MET 32 2HG MET 32 6.726 3.201 6.779 262 HE1 MET 32 3HE MET 32 9.482 0.593 8.173 263 HE2 MET 32 1HE MET 32 9.025 1.681 9.504 264 HE3 MET 32 2HE MET 32 8.559 -0.032 9.552 265 H HIS 33 H HIS 33 9.281 4.242 2.975 266 HA HIS 33 HA HIS 33 11.852 2.789 2.412 267 HB2 HIS 33 1HB HIS 33 9.322 2.712 0.746 268 HB3 HIS 33 2HB HIS 33 10.795 1.782 0.495 269 HD1 HIS 33 1HD HIS 33 11.233 0.519 3.347 270 HD2 HIS 33 2HD HIS 33 7.518 1.008 1.455 271 HE1 HIS 33 1HE HIS 33 9.676 -1.150 4.451 272 H ASP 34 H ASP 34 9.647 5.303 1.231 273 HA ASP 34 HA ASP 34 9.804 6.893 -0.366 274 HB2 ASP 34 1HB ASP 34 10.691 7.890 1.669 275 HB3 ASP 34 2HB ASP 34 12.330 7.462 1.195 276 HA PRO 35 HA PRO 35 12.723 4.898 -3.359 277 HB2 PRO 35 1HB PRO 35 10.981 3.927 -5.194 278 HB3 PRO 35 2HB PRO 35 11.222 3.140 -3.611 279 HG2 PRO 35 1HG PRO 35 9.041 5.127 -4.359 280 HG3 PRO 35 2HG PRO 35 8.842 3.510 -3.612 281 HD2 PRO 35 1HD PRO 35 8.937 5.799 -2.126 282 HD3 PRO 35 2HD PRO 35 9.640 4.261 -1.535 283 H GLN 36 H GLN 36 12.930 7.454 -3.211 284 HA GLN 36 HA GLN 36 11.554 8.961 -5.247 285 HB2 GLN 36 1HB GLN 36 12.416 10.861 -4.306 286 HB3 GLN 36 2HB GLN 36 12.226 9.772 -2.947 287 HG2 GLN 36 1HG GLN 36 14.844 10.486 -4.354 288 HG3 GLN 36 2HG GLN 36 14.281 11.115 -2.816 289 HE21 GLN 36 1HE2 GLN 36 13.974 9.425 -0.979 290 HE22 GLN 36 2HE2 GLN 36 15.121 8.102 -1.005 291 H ASP 37 H ASP 37 14.303 7.065 -5.588 292 HA ASP 37 HA ASP 37 14.950 8.247 -8.231 293 HB2 ASP 37 1HB ASP 37 16.560 9.239 -6.652 294 HB3 ASP 37 2HB ASP 37 17.016 7.637 -6.082 Start of MODEL 2 1 H1 GLY 1 1H GLY 1 -5.197 -5.261 -11.992 2 H2 GLY 1 2H GLY 1 -5.473 -5.882 -13.484 3 H3 GLY 1 3H GLY 1 -5.118 -6.879 -12.231 4 HA2 GLY 1 1HA GLY 1 -7.552 -5.235 -12.467 5 HA3 GLY 1 2HA GLY 1 -7.470 -6.985 -12.741 6 H SER 2 H SER 2 -9.263 -6.027 -10.925 7 HA SER 2 HA SER 2 -8.239 -6.108 -8.192 8 HB2 SER 2 1HB SER 2 -10.644 -6.001 -7.594 9 HB3 SER 2 2HB SER 2 -10.127 -4.709 -8.688 10 HG SER 2 HG SER 2 -12.117 -5.663 -9.344 11 H SER 3 H SER 3 -9.114 -7.620 -6.570 12 HA SER 3 HA SER 3 -9.869 -10.320 -7.482 13 HB2 SER 3 1HB SER 3 -7.355 -10.250 -7.470 14 HB3 SER 3 2HB SER 3 -7.416 -9.892 -5.733 15 HG SER 3 HG SER 3 -7.180 -12.156 -6.220 16 H GLY 4 H GLY 4 -10.692 -11.650 -5.804 17 HA2 GLY 4 1HA GLY 4 -11.852 -12.128 -3.858 18 HA3 GLY 4 2HA GLY 4 -11.236 -10.658 -3.113 19 H SER 5 H SER 5 -13.768 -11.451 -2.617 20 HA SER 5 HA SER 5 -15.514 -9.454 -4.016 21 HB2 SER 5 1HB SER 5 -17.339 -11.097 -3.879 22 HB3 SER 5 2HB SER 5 -15.983 -11.684 -4.857 23 HG SER 5 HG SER 5 -16.748 -13.283 -3.384 24 H SER 6 H SER 6 -14.466 -10.666 -0.933 25 HA SER 6 HA SER 6 -16.767 -9.658 0.572 26 HB2 SER 6 1HB SER 6 -15.451 -10.467 2.518 27 HB3 SER 6 2HB SER 6 -15.719 -11.703 1.277 28 HG SER 6 HG SER 6 -13.533 -11.656 2.023 29 H GLY 7 H GLY 7 -13.989 -8.172 -0.684 30 HA2 GLY 7 1HA GLY 7 -14.411 -5.614 0.442 31 HA3 GLY 7 2HA GLY 7 -13.181 -6.424 1.418 32 H ILE 8 H ILE 8 -11.739 -4.741 0.701 33 HA ILE 8 HA ILE 8 -10.362 -5.413 -1.829 34 HB ILE 8 HB ILE 8 -11.817 -3.507 -2.318 35 HG12 ILE 8 1HG1 ILE 8 -8.884 -2.680 -2.322 36 HG13 ILE 8 2HG1 ILE 8 -9.599 -3.856 -3.433 37 HG21 ILE 8 1HG2 ILE 8 -10.200 -1.904 -0.288 38 HG22 ILE 8 2HG2 ILE 8 -11.509 -1.305 -1.323 39 HG23 ILE 8 3HG2 ILE 8 -11.870 -2.459 -0.045 40 HD11 ILE 8 3HD1 ILE 8 -10.315 -0.903 -3.234 41 HD12 ILE 8 1HD1 ILE 8 -9.452 -1.724 -4.543 42 HD13 ILE 8 2HD1 ILE 8 -11.165 -2.087 -4.258 43 H LYS 9 H LYS 9 -8.156 -5.128 -1.833 44 HA LYS 9 HA LYS 9 -6.738 -4.170 0.568 45 HB2 LYS 9 1HB LYS 9 -5.497 -6.252 0.877 46 HB3 LYS 9 2HB LYS 9 -7.223 -6.501 1.128 47 HG2 LYS 9 1HG LYS 9 -7.416 -7.486 -1.157 48 HG3 LYS 9 2HG LYS 9 -5.677 -7.246 -1.401 49 HD2 LYS 9 1HD LYS 9 -5.186 -8.762 0.484 50 HD3 LYS 9 2HD LYS 9 -6.930 -8.985 0.767 51 HE2 LYS 9 1HE LYS 9 -7.177 -9.894 -1.538 52 HE3 LYS 9 2HE LYS 9 -5.444 -9.681 -1.810 53 HZ1 LYS 9 3HZ LYS 9 -5.966 -11.961 -1.160 54 HZ2 LYS 9 1HZ LYS 9 -6.637 -11.472 0.242 55 HZ3 LYS 9 2HZ LYS 9 -5.033 -11.278 -0.010 56 H GLN 10 H GLN 10 -4.537 -3.884 0.311 57 HA GLN 10 HA GLN 10 -3.254 -4.217 -2.340 58 HB2 GLN 10 1HB GLN 10 -3.199 -1.626 -0.725 59 HB3 GLN 10 2HB GLN 10 -2.297 -1.950 -2.205 60 HG2 GLN 10 1HG GLN 10 -5.332 -1.758 -2.025 61 HG3 GLN 10 2HG GLN 10 -4.251 -0.485 -2.554 62 HE21 GLN 10 1HE2 GLN 10 -6.241 -1.199 -4.289 63 HE22 GLN 10 2HE2 GLN 10 -5.535 -2.078 -5.638 64 H HIS 11 H HIS 11 -0.821 -4.137 -2.107 65 HA HIS 11 HA HIS 11 0.129 -4.416 0.682 66 HB2 HIS 11 1HB HIS 11 1.292 -6.455 0.309 67 HB3 HIS 11 2HB HIS 11 -0.398 -6.701 -0.104 68 HD1 HIS 11 1HD HIS 11 3.038 -6.267 -1.864 69 HD2 HIS 11 2HD HIS 11 -0.925 -7.507 -2.587 70 HE1 HIS 11 1HE HIS 11 3.035 -7.349 -4.172 71 H CYS 12 H CYS 12 2.266 -4.128 1.084 72 HA CYS 12 HA CYS 12 3.720 -2.205 -0.452 73 HB2 CYS 12 1HB CYS 12 3.740 -2.518 1.999 74 HB3 CYS 12 2HB CYS 12 4.559 -4.071 1.791 75 H ARG 13 H ARG 13 5.744 -2.399 -1.369 76 HA ARG 13 HA ARG 13 6.350 -4.983 -2.785 77 HB2 ARG 13 1HB ARG 13 6.872 -2.115 -3.671 78 HB3 ARG 13 2HB ARG 13 7.403 -3.567 -4.535 79 HG2 ARG 13 1HG ARG 13 5.021 -4.301 -4.742 80 HG3 ARG 13 2HG ARG 13 4.503 -2.785 -3.984 81 HD2 ARG 13 1HD ARG 13 5.574 -1.494 -5.793 82 HD3 ARG 13 2HD ARG 13 6.116 -2.982 -6.569 83 HE ARG 13 HE ARG 13 3.404 -1.843 -6.543 84 HH11 ARG 13 2HH1 ARG 13 5.206 -4.772 -7.243 85 HH12 ARG 13 1HH1 ARG 13 3.925 -5.425 -8.228 86 HH21 ARG 13 2HH2 ARG 13 1.824 -2.737 -7.811 87 HH22 ARG 13 1HH2 ARG 13 2.068 -4.299 -8.536 88 H PHE 14 H PHE 14 7.441 -3.108 -0.288 89 HA PHE 14 HA PHE 14 10.316 -3.869 -0.685 90 HB2 PHE 14 1HB PHE 14 9.166 -1.662 1.020 91 HB3 PHE 14 2HB PHE 14 10.858 -1.941 0.665 92 HD1 PHE 14 2HD PHE 14 11.792 -1.362 -1.571 93 HD2 PHE 14 1HD PHE 14 7.668 -0.570 -0.585 94 HE1 PHE 14 2HE PHE 14 11.611 0.161 -3.527 95 HE2 PHE 14 1HE PHE 14 7.488 0.939 -2.547 96 HZ PHE 14 HZ PHE 14 9.458 1.304 -4.022 97 H CYS 15 H CYS 15 7.615 -3.956 1.616 98 HA CYS 15 HA CYS 15 9.102 -5.975 3.208 99 HB2 CYS 15 1HB CYS 15 8.407 -5.044 5.283 100 HB3 CYS 15 2HB CYS 15 9.268 -3.817 4.361 101 H LYS 16 H LYS 16 6.542 -5.575 1.293 102 HA LYS 16 HA LYS 16 4.629 -6.664 0.810 103 HB2 LYS 16 1HB LYS 16 6.028 -8.939 2.236 104 HB3 LYS 16 2HB LYS 16 4.689 -9.095 1.094 105 HG2 LYS 16 1HG LYS 16 6.058 -8.044 -0.688 106 HG3 LYS 16 2HG LYS 16 7.432 -7.939 0.431 107 HD2 LYS 16 1HD LYS 16 7.417 -10.399 0.698 108 HD3 LYS 16 2HD LYS 16 6.052 -10.515 -0.436 109 HE2 LYS 16 1HE LYS 16 7.441 -9.465 -2.209 110 HE3 LYS 16 2HE LYS 16 8.798 -9.341 -1.082 111 HZ1 LYS 16 3HZ LYS 16 8.810 -11.777 -0.933 112 HZ2 LYS 16 1HZ LYS 16 8.993 -11.313 -2.486 113 HZ3 LYS 16 2HZ LYS 16 7.557 -11.892 -1.976 114 H LYS 17 H LYS 17 4.624 -5.382 3.630 115 HA LYS 17 HA LYS 17 2.502 -6.722 5.052 116 HB2 LYS 17 1HB LYS 17 3.359 -3.798 5.084 117 HB3 LYS 17 2HB LYS 17 2.251 -4.561 6.235 118 HG2 LYS 17 1HG LYS 17 4.045 -6.118 6.955 119 HG3 LYS 17 2HG LYS 17 5.164 -5.363 5.811 120 HD2 LYS 17 1HD LYS 17 4.714 -3.149 7.004 121 HD3 LYS 17 2HD LYS 17 3.904 -4.080 8.268 122 HE2 LYS 17 1HE LYS 17 6.790 -4.435 7.320 123 HE3 LYS 17 2HE LYS 17 6.305 -3.534 8.758 124 HZ1 LYS 17 3HZ LYS 17 5.395 -5.611 9.673 125 HZ2 LYS 17 1HZ LYS 17 6.987 -5.770 9.352 126 HZ3 LYS 17 2HZ LYS 17 5.889 -6.449 8.356 127 H LYS 18 H LYS 18 0.330 -6.164 5.253 128 HA LYS 18 HA LYS 18 -0.953 -5.367 2.695 129 HB2 LYS 18 1HB LYS 18 -1.351 -7.611 3.668 130 HB3 LYS 18 2HB LYS 18 -2.032 -6.853 5.112 131 HG2 LYS 18 1HG LYS 18 -3.869 -5.881 3.735 132 HG3 LYS 18 2HG LYS 18 -3.132 -6.554 2.277 133 HD2 LYS 18 1HD LYS 18 -4.997 -7.936 2.958 134 HD3 LYS 18 2HD LYS 18 -3.495 -8.850 3.160 135 HE2 LYS 18 1HE LYS 18 -3.516 -8.340 5.597 136 HE3 LYS 18 2HE LYS 18 -4.991 -7.386 5.389 137 HZ1 LYS 18 3HZ LYS 18 -6.127 -9.425 4.680 138 HZ2 LYS 18 1HZ LYS 18 -5.480 -9.637 6.161 139 HZ3 LYS 18 2HZ LYS 18 -4.759 -10.304 4.860 140 H TYR 19 H TYR 19 -2.472 -3.849 2.484 141 HA TYR 19 HA TYR 19 -3.481 -2.301 4.814 142 HB2 TYR 19 1HB TYR 19 -2.133 -1.199 2.330 143 HB3 TYR 19 2HB TYR 19 -3.300 -0.252 3.235 144 HD1 TYR 19 1HD TYR 19 -2.849 0.614 5.451 145 HD2 TYR 19 2HD TYR 19 0.084 -1.774 3.374 146 HE1 TYR 19 1HE TYR 19 -1.132 1.266 7.129 147 HE2 TYR 19 2HE TYR 19 1.804 -1.117 5.058 148 HH TYR 19 HH TYR 19 1.015 1.006 7.844 149 H SER 20 H SER 20 -5.555 -1.369 4.499 150 HA SER 20 HA SER 20 -7.259 -2.793 2.574 151 HB2 SER 20 1HB SER 20 -9.090 -1.705 3.854 152 HB3 SER 20 2HB SER 20 -7.986 -2.662 4.857 153 HG SER 20 HG SER 20 -8.455 -0.600 5.783 154 H ASP 21 H ASP 21 -5.528 0.086 2.394 155 HA ASP 21 HA ASP 21 -7.233 1.204 0.240 156 HB2 ASP 21 1HB ASP 21 -8.109 2.322 2.162 157 HB3 ASP 21 2HB ASP 21 -6.505 2.558 2.855 158 H VAL 22 H VAL 22 -6.145 2.321 -1.314 159 HA VAL 22 HA VAL 22 -3.335 1.796 -1.580 160 HB VAL 22 HB VAL 22 -4.985 1.874 -3.417 161 HG11 VAL 22 1HG1 VAL 22 -5.603 3.898 -4.540 162 HG12 VAL 22 2HG1 VAL 22 -6.154 4.004 -2.863 163 HG13 VAL 22 3HG1 VAL 22 -4.702 4.892 -3.387 164 HG21 VAL 22 3HG2 VAL 22 -2.563 3.641 -3.873 165 HG22 VAL 22 1HG2 VAL 22 -2.559 1.864 -3.843 166 HG23 VAL 22 2HG2 VAL 22 -3.462 2.727 -5.099 167 H LYS 23 H LYS 23 -5.084 4.751 -0.575 168 HA LYS 23 HA LYS 23 -2.726 6.387 -0.959 169 HB2 LYS 23 1HB LYS 23 -5.251 6.990 0.648 170 HB3 LYS 23 2HB LYS 23 -4.015 8.159 0.232 171 HG2 LYS 23 1HG LYS 23 -5.842 6.680 -1.709 172 HG3 LYS 23 2HG LYS 23 -5.974 8.361 -1.230 173 HD2 LYS 23 1HD LYS 23 -3.732 7.114 -2.875 174 HD3 LYS 23 2HD LYS 23 -5.009 8.153 -3.476 175 HE2 LYS 23 1HE LYS 23 -2.862 9.007 -1.476 176 HE3 LYS 23 2HE LYS 23 -2.797 9.288 -3.215 177 HZ1 LYS 23 3HZ LYS 23 -4.881 10.396 -1.408 178 HZ2 LYS 23 1HZ LYS 23 -4.823 10.624 -3.027 179 HZ3 LYS 23 2HZ LYS 23 -3.652 11.234 -2.074 180 H ASN 24 H ASN 24 -4.198 4.760 1.805 181 HA ASN 24 HA ASN 24 -2.230 5.497 3.785 182 HB2 ASN 24 1HB ASN 24 -4.193 3.190 3.491 183 HB3 ASN 24 2HB ASN 24 -3.037 3.256 4.819 184 HD21 ASN 24 1HD2 ASN 24 -5.739 5.105 3.326 185 HD22 ASN 24 2HD2 ASN 24 -6.135 5.938 4.833 186 H LEU 25 H LEU 25 -2.279 2.802 1.375 187 HA LEU 25 HA LEU 25 0.231 1.707 2.210 188 HB2 LEU 25 1HB LEU 25 -1.307 0.447 0.820 189 HB3 LEU 25 2HB LEU 25 -1.205 1.648 -0.464 190 HG LEU 25 HG LEU 25 1.182 1.118 -0.822 191 HD11 LEU 25 1HD1 LEU 25 2.191 -0.855 0.206 192 HD12 LEU 25 2HD1 LEU 25 0.752 -1.116 1.212 193 HD13 LEU 25 3HD1 LEU 25 1.791 0.307 1.462 194 HD21 LEU 25 3HD2 LEU 25 -0.624 -0.068 -2.054 195 HD22 LEU 25 1HD2 LEU 25 -0.533 -1.374 -0.843 196 HD23 LEU 25 2HD2 LEU 25 0.864 -1.008 -1.881 197 H ILE 26 H ILE 26 -0.487 4.253 -0.265 198 HA ILE 26 HA ILE 26 2.256 4.668 -0.996 199 HB ILE 26 HB ILE 26 -0.177 6.473 -1.149 200 HG12 ILE 26 1HG1 ILE 26 1.389 5.077 -3.373 201 HG13 ILE 26 2HG1 ILE 26 0.043 4.300 -2.562 202 HG21 ILE 26 1HG2 ILE 26 1.795 7.948 -1.068 203 HG22 ILE 26 2HG2 ILE 26 2.622 6.945 -2.283 204 HG23 ILE 26 3HG2 ILE 26 1.182 7.898 -2.711 205 HD11 ILE 26 3HD1 ILE 26 -0.749 5.264 -4.620 206 HD12 ILE 26 1HD1 ILE 26 -1.471 6.147 -3.261 207 HD13 ILE 26 2HD1 ILE 26 -0.132 6.864 -4.191 208 H LYS 27 H LYS 27 0.296 6.151 1.617 209 HA LYS 27 HA LYS 27 2.355 7.835 2.670 210 HB2 LYS 27 1HB LYS 27 -0.068 7.954 3.242 211 HB3 LYS 27 2HB LYS 27 0.087 6.455 4.169 212 HG2 LYS 27 1HG LYS 27 1.724 7.545 5.680 213 HG3 LYS 27 2HG LYS 27 1.626 9.034 4.717 214 HD2 LYS 27 1HD LYS 27 -0.787 9.230 5.271 215 HD3 LYS 27 2HD LYS 27 -0.689 7.736 6.230 216 HE2 LYS 27 1HE LYS 27 1.012 8.798 7.701 217 HE3 LYS 27 2HE LYS 27 0.919 10.282 6.743 218 HZ1 LYS 27 3HZ LYS 27 -1.422 10.484 7.402 219 HZ2 LYS 27 1HZ LYS 27 -0.472 10.422 8.727 220 HZ3 LYS 27 2HZ LYS 27 -1.337 9.110 8.287 221 H HIS 28 H HIS 28 1.571 4.412 3.504 222 HA HIS 28 HA HIS 28 3.712 3.971 5.324 223 HB2 HIS 28 1HB HIS 28 2.022 2.319 5.139 224 HB3 HIS 28 2HB HIS 28 2.221 2.152 3.407 225 HD1 HIS 28 1HD HIS 28 3.748 0.895 6.641 226 HD2 HIS 28 2HD HIS 28 4.254 0.638 2.486 227 HE1 HIS 28 1HE HIS 28 5.464 -0.938 6.270 228 H ILE 29 H ILE 29 3.705 3.543 1.740 229 HA ILE 29 HA ILE 29 6.415 2.712 1.536 230 HB ILE 29 HB ILE 29 4.523 4.016 -0.437 231 HG12 ILE 29 1HG1 ILE 29 5.643 1.175 -0.336 232 HG13 ILE 29 2HG1 ILE 29 4.132 1.636 0.433 233 HG21 ILE 29 1HG2 ILE 29 6.155 3.358 -2.233 234 HG22 ILE 29 2HG2 ILE 29 6.744 4.643 -1.202 235 HG23 ILE 29 3HG2 ILE 29 7.343 2.982 -0.965 236 HD11 ILE 29 3HD1 ILE 29 3.232 2.373 -1.783 237 HD12 ILE 29 1HD1 ILE 29 4.695 1.710 -2.550 238 HD13 ILE 29 2HD1 ILE 29 3.598 0.640 -1.670 239 H ARG 30 H ARG 30 5.109 6.066 1.221 240 HA ARG 30 HA ARG 30 7.795 7.157 0.881 241 HB2 ARG 30 1HB ARG 30 5.106 8.490 1.398 242 HB3 ARG 30 2HB ARG 30 6.612 9.356 1.056 243 HG2 ARG 30 1HG ARG 30 6.822 8.131 -1.111 244 HG3 ARG 30 2HG ARG 30 5.268 7.342 -0.807 245 HD2 ARG 30 1HD ARG 30 4.167 9.568 -0.709 246 HD3 ARG 30 2HD ARG 30 5.706 10.349 -1.076 247 HE ARG 30 HE ARG 30 3.928 8.936 -2.920 248 HH11 ARG 30 2HH1 ARG 30 7.287 10.057 -2.621 249 HH12 ARG 30 1HH1 ARG 30 7.463 9.978 -4.380 250 HH21 ARG 30 2HH2 ARG 30 4.430 8.848 -5.135 251 HH22 ARG 30 1HH2 ARG 30 6.034 9.374 -5.622 252 H ASP 31 H ASP 31 5.974 6.458 3.775 253 HA ASP 31 HA ASP 31 7.767 8.092 5.441 254 HB2 ASP 31 1HB ASP 31 5.355 7.770 5.947 255 HB3 ASP 31 2HB ASP 31 5.667 6.055 6.241 256 H MET 32 H MET 32 7.434 4.618 4.634 257 HA MET 32 HA MET 32 9.608 3.912 6.523 258 HB2 MET 32 1HB MET 32 7.724 2.189 4.871 259 HB3 MET 32 2HB MET 32 8.903 1.586 6.022 260 HG2 MET 32 1HG MET 32 6.559 3.400 6.699 261 HG3 MET 32 2HG MET 32 6.618 1.665 6.953 262 HE1 MET 32 3HE MET 32 9.125 1.216 9.903 263 HE2 MET 32 1HE MET 32 8.002 0.426 8.774 264 HE3 MET 32 2HE MET 32 9.542 1.098 8.184 265 H HIS 33 H HIS 33 9.134 4.057 3.015 266 HA HIS 33 HA HIS 33 11.789 2.718 2.596 267 HB2 HIS 33 1HB HIS 33 9.333 2.546 0.825 268 HB3 HIS 33 2HB HIS 33 10.819 1.622 0.681 269 HD1 HIS 33 1HD HIS 33 11.155 0.402 3.538 270 HD2 HIS 33 2HD HIS 33 7.486 0.904 1.565 271 HE1 HIS 33 1HE HIS 33 9.556 -1.234 4.635 272 H ASP 34 H ASP 34 9.611 5.241 1.450 273 HA ASP 34 HA ASP 34 9.822 6.998 0.057 274 HB2 ASP 34 1HB ASP 34 10.897 7.659 2.159 275 HB3 ASP 34 2HB ASP 34 12.463 7.222 1.496 276 HA PRO 35 HA PRO 35 12.444 5.172 -3.363 277 HB2 PRO 35 1HB PRO 35 10.447 4.557 -5.114 278 HB3 PRO 35 2HB PRO 35 10.955 3.444 -3.806 279 HG2 PRO 35 1HG PRO 35 8.642 5.419 -3.773 280 HG3 PRO 35 2HG PRO 35 8.610 3.676 -3.351 281 HD2 PRO 35 1HD PRO 35 8.862 5.605 -1.446 282 HD3 PRO 35 2HD PRO 35 9.741 4.052 -1.312 283 H GLN 36 H GLN 36 12.809 6.205 -5.378 284 HA GLN 36 HA GLN 36 12.251 9.042 -5.357 285 HB2 GLN 36 1HB GLN 36 13.890 7.381 -7.316 286 HB3 GLN 36 2HB GLN 36 13.855 9.136 -7.194 287 HG2 GLN 36 1HG GLN 36 15.800 8.598 -6.074 288 HG3 GLN 36 2HG GLN 36 14.655 8.903 -4.778 289 HE21 GLN 36 1HE2 GLN 36 16.581 7.662 -3.681 290 HE22 GLN 36 2HE2 GLN 36 16.396 5.914 -3.624 291 H ASP 37 H ASP 37 9.836 7.881 -5.716 292 HA ASP 37 HA ASP 37 9.033 8.121 -8.578 293 HB2 ASP 37 1HB ASP 37 8.339 6.099 -7.383 294 HB3 ASP 37 2HB ASP 37 7.531 7.071 -6.158 Start of MODEL 3 1 H1 GLY 1 1H GLY 1 -23.737 -13.697 -11.028 2 H2 GLY 1 2H GLY 1 -22.388 -13.862 -11.946 3 H3 GLY 1 3H GLY 1 -23.085 -12.390 -11.773 4 HA2 GLY 1 1HA GLY 1 -22.562 -12.338 -9.428 5 HA3 GLY 1 2HA GLY 1 -21.822 -13.940 -9.604 6 H SER 2 H SER 2 -20.546 -11.522 -8.650 7 HA SER 2 HA SER 2 -18.856 -10.363 -10.674 8 HB2 SER 2 1HB SER 2 -18.483 -10.436 -7.658 9 HB3 SER 2 2HB SER 2 -17.690 -9.328 -8.789 10 HG SER 2 HG SER 2 -19.722 -8.439 -9.287 11 H SER 3 H SER 3 -16.620 -10.549 -10.974 12 HA SER 3 HA SER 3 -15.410 -13.198 -10.267 13 HB2 SER 3 1HB SER 3 -15.036 -11.578 -12.805 14 HB3 SER 3 2HB SER 3 -14.348 -13.173 -12.459 15 HG SER 3 HG SER 3 -16.453 -14.029 -12.399 16 H GLY 4 H GLY 4 -15.045 -10.312 -9.066 17 HA2 GLY 4 1HA GLY 4 -12.309 -9.555 -9.541 18 HA3 GLY 4 2HA GLY 4 -13.320 -9.028 -8.200 19 H SER 5 H SER 5 -10.513 -9.655 -8.114 20 HA SER 5 HA SER 5 -9.955 -12.251 -7.105 21 HB2 SER 5 1HB SER 5 -8.412 -9.668 -6.668 22 HB3 SER 5 2HB SER 5 -7.795 -11.316 -6.430 23 HG SER 5 HG SER 5 -7.231 -10.460 -8.494 24 H SER 6 H SER 6 -9.948 -13.160 -5.135 25 HA SER 6 HA SER 6 -11.600 -12.091 -3.110 26 HB2 SER 6 1HB SER 6 -9.695 -14.452 -2.915 27 HB3 SER 6 2HB SER 6 -11.120 -14.149 -1.905 28 HG SER 6 HG SER 6 -11.567 -15.625 -3.608 29 H GLY 7 H GLY 7 -8.167 -11.654 -3.440 30 HA2 GLY 7 1HA GLY 7 -7.396 -11.471 -0.696 31 HA3 GLY 7 2HA GLY 7 -6.553 -10.749 -2.070 32 H ILE 8 H ILE 8 -8.817 -9.100 -2.840 33 HA ILE 8 HA ILE 8 -9.606 -7.067 -2.748 34 HB ILE 8 HB ILE 8 -10.792 -8.529 -0.847 35 HG12 ILE 8 1HG1 ILE 8 -11.965 -7.239 -2.467 36 HG13 ILE 8 2HG1 ILE 8 -12.634 -7.014 -0.862 37 HG21 ILE 8 1HG2 ILE 8 -9.562 -7.649 1.056 38 HG22 ILE 8 2HG2 ILE 8 -10.090 -5.994 0.677 39 HG23 ILE 8 3HG2 ILE 8 -11.273 -7.226 1.145 40 HD11 ILE 8 3HD1 ILE 8 -11.465 -4.771 -0.740 41 HD12 ILE 8 1HD1 ILE 8 -10.981 -5.007 -2.440 42 HD13 ILE 8 2HD1 ILE 8 -12.689 -4.909 -2.011 43 H LYS 9 H LYS 9 -7.264 -7.305 -0.090 44 HA LYS 9 HA LYS 9 -6.944 -4.389 0.083 45 HB2 LYS 9 1HB LYS 9 -5.521 -6.677 1.513 46 HB3 LYS 9 2HB LYS 9 -5.268 -4.964 1.834 47 HG2 LYS 9 1HG LYS 9 -7.864 -4.860 2.184 48 HG3 LYS 9 2HG LYS 9 -7.754 -6.622 2.334 49 HD2 LYS 9 1HD LYS 9 -6.112 -6.336 4.199 50 HD3 LYS 9 2HD LYS 9 -6.241 -4.573 4.014 51 HE2 LYS 9 1HE LYS 9 -8.788 -4.892 4.337 52 HE3 LYS 9 2HE LYS 9 -8.406 -6.533 4.879 53 HZ1 LYS 9 3HZ LYS 9 -7.472 -3.988 6.091 54 HZ2 LYS 9 1HZ LYS 9 -6.951 -5.469 6.594 55 HZ3 LYS 9 2HZ LYS 9 -8.521 -5.040 6.762 56 H GLN 10 H GLN 10 -4.919 -3.316 0.010 57 HA GLN 10 HA GLN 10 -3.256 -4.071 -2.339 58 HB2 GLN 10 1HB GLN 10 -3.255 -1.514 -0.685 59 HB3 GLN 10 2HB GLN 10 -2.401 -1.802 -2.203 60 HG2 GLN 10 1HG GLN 10 -5.423 -1.641 -1.855 61 HG3 GLN 10 2HG GLN 10 -4.375 -0.428 -2.576 62 HE21 GLN 10 1HE2 GLN 10 -3.136 -1.115 -4.621 63 HE22 GLN 10 2HE2 GLN 10 -3.961 -2.253 -5.672 64 H HIS 11 H HIS 11 -0.857 -4.006 -2.122 65 HA HIS 11 HA HIS 11 0.139 -4.316 0.641 66 HB2 HIS 11 1HB HIS 11 1.232 -6.387 0.254 67 HB3 HIS 11 2HB HIS 11 -0.463 -6.582 -0.163 68 HD1 HIS 11 1HD HIS 11 3.002 -6.339 -1.859 69 HD2 HIS 11 2HD HIS 11 -1.029 -7.240 -2.704 70 HE1 HIS 11 1HE HIS 11 2.969 -7.363 -4.195 71 H CYS 12 H CYS 12 2.304 -4.115 1.007 72 HA CYS 12 HA CYS 12 3.814 -2.265 -0.613 73 HB2 CYS 12 1HB CYS 12 3.822 -2.413 1.853 74 HB3 CYS 12 2HB CYS 12 4.577 -4.010 1.752 75 H ARG 13 H ARG 13 5.805 -2.599 -1.549 76 HA ARG 13 HA ARG 13 6.325 -5.317 -2.717 77 HB2 ARG 13 1HB ARG 13 7.298 -4.263 -4.637 78 HB3 ARG 13 2HB ARG 13 5.675 -3.628 -4.373 79 HG2 ARG 13 1HG ARG 13 6.670 -1.567 -3.334 80 HG3 ARG 13 2HG ARG 13 8.285 -2.240 -3.605 81 HD2 ARG 13 1HD ARG 13 7.841 -0.653 -5.337 82 HD3 ARG 13 2HD ARG 13 7.854 -2.275 -6.049 83 HE ARG 13 HE ARG 13 5.170 -1.530 -5.322 84 HH11 ARG 13 2HH1 ARG 13 7.545 -0.765 -7.780 85 HH12 ARG 13 1HH1 ARG 13 6.329 -0.320 -8.946 86 HH21 ARG 13 2HH2 ARG 13 3.669 -0.957 -6.861 87 HH22 ARG 13 1HH2 ARG 13 4.195 -0.426 -8.430 88 H PHE 14 H PHE 14 7.532 -3.171 -0.446 89 HA PHE 14 HA PHE 14 10.362 -4.091 -0.771 90 HB2 PHE 14 1HB PHE 14 9.259 -1.811 0.873 91 HB3 PHE 14 2HB PHE 14 10.948 -2.162 0.570 92 HD1 PHE 14 2HD PHE 14 11.851 -1.927 -1.818 93 HD2 PHE 14 1HD PHE 14 7.976 -0.454 -0.629 94 HE1 PHE 14 2HE PHE 14 11.814 -0.415 -3.792 95 HE2 PHE 14 1HE PHE 14 7.954 1.073 -2.587 96 HZ PHE 14 HZ PHE 14 9.871 1.085 -4.178 97 H CYS 15 H CYS 15 7.662 -4.071 1.528 98 HA CYS 15 HA CYS 15 9.115 -6.040 3.217 99 HB2 CYS 15 1HB CYS 15 8.507 -4.944 5.241 100 HB3 CYS 15 2HB CYS 15 9.371 -3.800 4.217 101 H LYS 16 H LYS 16 6.498 -5.626 1.360 102 HA LYS 16 HA LYS 16 4.555 -6.692 0.989 103 HB2 LYS 16 1HB LYS 16 5.935 -8.929 2.490 104 HB3 LYS 16 2HB LYS 16 4.566 -9.105 1.387 105 HG2 LYS 16 1HG LYS 16 5.919 -8.170 -0.473 106 HG3 LYS 16 2HG LYS 16 7.321 -8.053 0.610 107 HD2 LYS 16 1HD LYS 16 7.248 -10.497 0.987 108 HD3 LYS 16 2HD LYS 16 5.852 -10.626 -0.109 109 HE2 LYS 16 1HE LYS 16 7.224 -9.692 -1.959 110 HE3 LYS 16 2HE LYS 16 8.611 -9.557 -0.871 111 HZ1 LYS 16 3HZ LYS 16 8.720 -11.593 -2.191 112 HZ2 LYS 16 1HZ LYS 16 7.281 -12.109 -1.623 113 HZ3 LYS 16 2HZ LYS 16 8.562 -11.983 -0.616 114 H LYS 17 H LYS 17 4.590 -5.224 3.718 115 HA LYS 17 HA LYS 17 2.408 -6.410 5.203 116 HB2 LYS 17 1HB LYS 17 3.265 -3.498 4.897 117 HB3 LYS 17 2HB LYS 17 1.987 -4.080 5.973 118 HG2 LYS 17 1HG LYS 17 3.661 -5.504 7.177 119 HG3 LYS 17 2HG LYS 17 4.929 -4.877 6.117 120 HD2 LYS 17 1HD LYS 17 5.048 -3.622 8.153 121 HD3 LYS 17 2HD LYS 17 4.377 -2.550 6.921 122 HE2 LYS 17 1HE LYS 17 2.048 -3.201 7.818 123 HE3 LYS 17 2HE LYS 17 2.883 -4.024 9.141 124 HZ1 LYS 17 3HZ LYS 17 2.979 -1.128 8.501 125 HZ2 LYS 17 1HZ LYS 17 3.915 -1.824 9.665 126 HZ3 LYS 17 2HZ LYS 17 2.287 -1.804 9.812 127 H LYS 18 H LYS 18 0.230 -5.671 5.292 128 HA LYS 18 HA LYS 18 -0.959 -5.026 2.618 129 HB2 LYS 18 1HB LYS 18 -1.957 -6.681 4.951 130 HB3 LYS 18 2HB LYS 18 -2.953 -6.256 3.543 131 HG2 LYS 18 1HG LYS 18 -1.344 -7.420 2.050 132 HG3 LYS 18 2HG LYS 18 -0.371 -7.886 3.460 133 HD2 LYS 18 1HD LYS 18 -2.376 -9.064 4.404 134 HD3 LYS 18 2HD LYS 18 -3.261 -8.720 2.915 135 HE2 LYS 18 1HE LYS 18 -0.652 -10.306 3.102 136 HE3 LYS 18 2HE LYS 18 -2.261 -11.028 3.064 137 HZ1 LYS 18 3HZ LYS 18 -1.076 -9.405 0.876 138 HZ2 LYS 18 1HZ LYS 18 -2.591 -10.032 0.859 139 HZ3 LYS 18 2HZ LYS 18 -1.295 -11.020 0.861 140 H TYR 19 H TYR 19 -2.563 -3.560 2.415 141 HA TYR 19 HA TYR 19 -3.553 -2.051 4.781 142 HB2 TYR 19 1HB TYR 19 -2.310 -0.788 2.311 143 HB3 TYR 19 2HB TYR 19 -3.176 0.086 3.568 144 HD1 TYR 19 1HD TYR 19 -2.284 0.122 5.938 145 HD2 TYR 19 2HD TYR 19 0.001 -1.434 2.625 146 HE1 TYR 19 1HE TYR 19 -0.213 0.189 7.328 147 HE2 TYR 19 2HE TYR 19 2.069 -1.347 4.008 148 HH TYR 19 HH TYR 19 2.967 -0.778 6.019 149 H SER 20 H SER 20 -5.615 -1.329 4.636 150 HA SER 20 HA SER 20 -7.377 -2.682 2.896 151 HB2 SER 20 1HB SER 20 -7.941 -0.257 4.630 152 HB3 SER 20 2HB SER 20 -9.125 -1.442 4.048 153 HG SER 20 HG SER 20 -8.338 -1.756 6.247 154 H ASP 21 H ASP 21 -5.736 0.262 2.266 155 HA ASP 21 HA ASP 21 -7.148 0.619 -0.264 156 HB2 ASP 21 1HB ASP 21 -7.592 3.016 0.080 157 HB3 ASP 21 2HB ASP 21 -8.537 2.006 1.161 158 H VAL 22 H VAL 22 -6.080 2.196 -1.669 159 HA VAL 22 HA VAL 22 -3.258 1.730 -1.737 160 HB VAL 22 HB VAL 22 -4.837 2.031 -3.672 161 HG11 VAL 22 1HG1 VAL 22 -5.249 4.202 -4.618 162 HG12 VAL 22 2HG1 VAL 22 -5.913 4.170 -2.978 163 HG13 VAL 22 3HG1 VAL 22 -4.380 5.013 -3.307 164 HG21 VAL 22 3HG2 VAL 22 -2.282 3.657 -3.799 165 HG22 VAL 22 1HG2 VAL 22 -2.401 1.892 -3.959 166 HG23 VAL 22 2HG2 VAL 22 -3.158 2.944 -5.167 167 H LYS 23 H LYS 23 -5.099 4.406 -0.385 168 HA LYS 23 HA LYS 23 -2.944 6.319 -0.646 169 HB2 LYS 23 1HB LYS 23 -5.502 6.402 1.017 170 HB3 LYS 23 2HB LYS 23 -4.380 7.756 0.824 171 HG2 LYS 23 1HG LYS 23 -4.737 7.737 -1.627 172 HG3 LYS 23 2HG LYS 23 -5.873 6.384 -1.461 173 HD2 LYS 23 1HD LYS 23 -7.357 7.765 -0.059 174 HD3 LYS 23 2HD LYS 23 -6.225 9.134 -0.196 175 HE2 LYS 23 1HE LYS 23 -6.519 9.117 -2.666 176 HE3 LYS 23 2HE LYS 23 -7.645 7.761 -2.527 177 HZ1 LYS 23 3HZ LYS 23 -9.117 9.206 -1.223 178 HZ2 LYS 23 1HZ LYS 23 -8.825 9.878 -2.679 179 HZ3 LYS 23 2HZ LYS 23 -8.076 10.459 -1.352 180 H ASN 24 H ASN 24 -4.144 4.307 2.035 181 HA ASN 24 HA ASN 24 -2.109 5.102 3.938 182 HB2 ASN 24 1HB ASN 24 -3.985 2.722 3.701 183 HB3 ASN 24 2HB ASN 24 -2.757 2.813 4.963 184 HD21 ASN 24 1HD2 ASN 24 -5.718 4.359 3.743 185 HD22 ASN 24 2HD2 ASN 24 -6.006 5.275 5.225 186 H LEU 25 H LEU 25 -2.147 2.587 1.378 187 HA LEU 25 HA LEU 25 0.423 1.489 2.035 188 HB2 LEU 25 1HB LEU 25 -1.075 0.281 0.594 189 HB3 LEU 25 2HB LEU 25 -1.172 1.619 -0.542 190 HG LEU 25 HG LEU 25 1.188 1.319 -1.175 191 HD11 LEU 25 1HD1 LEU 25 2.435 -0.652 -0.466 192 HD12 LEU 25 2HD1 LEU 25 1.132 -1.139 0.633 193 HD13 LEU 25 3HD1 LEU 25 2.075 0.336 0.945 194 HD21 LEU 25 3HD2 LEU 25 0.922 -0.755 -2.398 195 HD22 LEU 25 1HD2 LEU 25 -0.617 0.122 -2.379 196 HD23 LEU 25 2HD2 LEU 25 -0.372 -1.276 -1.300 197 H ILE 26 H ILE 26 -0.459 4.152 -0.263 198 HA ILE 26 HA ILE 26 2.234 4.767 -1.001 199 HB ILE 26 HB ILE 26 -0.316 6.409 -1.007 200 HG12 ILE 26 1HG1 ILE 26 1.344 5.278 -3.312 201 HG13 ILE 26 2HG1 ILE 26 0.032 4.382 -2.569 202 HG21 ILE 26 1HG2 ILE 26 0.908 8.056 -2.455 203 HG22 ILE 26 2HG2 ILE 26 1.522 8.031 -0.815 204 HG23 ILE 26 3HG2 ILE 26 2.424 7.199 -2.105 205 HD11 ILE 26 3HD1 ILE 26 -0.253 7.030 -4.043 206 HD12 ILE 26 1HD1 ILE 26 -0.788 5.434 -4.573 207 HD13 ILE 26 2HD1 ILE 26 -1.567 6.199 -3.172 208 H LYS 27 H LYS 27 0.244 6.060 1.712 209 HA LYS 27 HA LYS 27 2.244 7.813 2.732 210 HB2 LYS 27 1HB LYS 27 -0.181 7.813 3.338 211 HB3 LYS 27 2HB LYS 27 0.051 6.309 4.224 212 HG2 LYS 27 1HG LYS 27 -0.017 8.191 5.738 213 HG3 LYS 27 2HG LYS 27 1.579 7.443 5.791 214 HD2 LYS 27 1HD LYS 27 2.529 9.271 4.435 215 HD3 LYS 27 2HD LYS 27 0.909 9.921 4.139 216 HE2 LYS 27 1HE LYS 27 1.896 11.305 5.799 217 HE3 LYS 27 2HE LYS 27 0.663 10.330 6.605 218 HZ1 LYS 27 3HZ LYS 27 3.598 9.774 6.647 219 HZ2 LYS 27 1HZ LYS 27 2.513 8.843 7.352 220 HZ3 LYS 27 2HZ LYS 27 2.721 10.378 7.897 221 H HIS 28 H HIS 28 1.632 4.354 3.536 222 HA HIS 28 HA HIS 28 3.785 3.995 5.354 223 HB2 HIS 28 1HB HIS 28 2.201 2.252 5.184 224 HB3 HIS 28 2HB HIS 28 2.330 2.155 3.434 225 HD1 HIS 28 1HD HIS 28 4.558 1.363 6.496 226 HD2 HIS 28 2HD HIS 28 4.095 0.503 2.408 227 HE1 HIS 28 1HE HIS 28 6.260 -0.435 5.977 228 H ILE 29 H ILE 29 3.802 3.636 1.759 229 HA ILE 29 HA ILE 29 6.554 2.916 1.566 230 HB ILE 29 HB ILE 29 4.690 4.244 -0.431 231 HG12 ILE 29 1HG1 ILE 29 5.766 1.383 -0.406 232 HG13 ILE 29 2HG1 ILE 29 4.271 1.817 0.400 233 HG21 ILE 29 1HG2 ILE 29 6.368 3.593 -2.174 234 HG22 ILE 29 2HG2 ILE 29 7.004 4.799 -1.074 235 HG23 ILE 29 3HG2 ILE 29 7.484 3.094 -0.888 236 HD11 ILE 29 3HD1 ILE 29 4.801 2.081 -2.584 237 HD12 ILE 29 1HD1 ILE 29 3.738 0.927 -1.775 238 HD13 ILE 29 2HD1 ILE 29 3.334 2.656 -1.756 239 H ARG 30 H ARG 30 5.046 6.179 1.362 240 HA ARG 30 HA ARG 30 7.535 7.619 1.095 241 HB2 ARG 30 1HB ARG 30 4.768 8.422 2.085 242 HB3 ARG 30 2HB ARG 30 6.101 9.565 1.884 243 HG2 ARG 30 1HG ARG 30 6.247 9.099 -0.510 244 HG3 ARG 30 2HG ARG 30 5.054 7.805 -0.379 245 HD2 ARG 30 1HD ARG 30 3.955 9.732 -1.277 246 HD3 ARG 30 2HD ARG 30 3.348 9.447 0.365 247 HE ARG 30 HE ARG 30 5.555 11.313 0.387 248 HH11 ARG 30 2HH2 ARG 30 2.152 11.243 -0.442 249 HH12 ARG 30 1HH2 ARG 30 1.948 12.946 -0.131 250 HH21 ARG 30 2HH1 ARG 30 5.224 13.477 0.771 251 HH22 ARG 30 1HH1 ARG 30 3.649 14.171 0.530 252 H ASP 31 H ASP 31 5.847 6.478 3.994 253 HA ASP 31 HA ASP 31 7.547 7.965 5.831 254 HB2 ASP 31 1HB ASP 31 5.623 5.639 6.200 255 HB3 ASP 31 2HB ASP 31 6.529 6.365 7.520 256 H MET 32 H MET 32 7.596 4.579 4.639 257 HA MET 32 HA MET 32 9.963 4.050 6.379 258 HB2 MET 32 1HB MET 32 7.978 2.110 5.148 259 HB3 MET 32 2HB MET 32 9.311 1.713 6.237 260 HG2 MET 32 1HG MET 32 8.238 3.385 7.895 261 HG3 MET 32 2HG MET 32 6.824 3.328 6.844 262 HE1 MET 32 3HE MET 32 9.013 1.547 9.508 263 HE2 MET 32 1HE MET 32 8.381 -0.115 9.531 264 HE3 MET 32 2HE MET 32 9.341 0.446 8.148 265 H HIS 33 H HIS 33 9.278 4.254 2.963 266 HA HIS 33 HA HIS 33 11.853 2.816 2.374 267 HB2 HIS 33 1HB HIS 33 9.308 2.731 0.730 268 HB3 HIS 33 2HB HIS 33 10.794 1.836 0.436 269 HD1 HIS 33 1HD HIS 33 11.293 0.514 3.256 270 HD2 HIS 33 2HD HIS 33 7.557 0.953 1.395 271 HE1 HIS 33 1HE HIS 33 9.798 -1.257 4.289 272 H ASP 34 H ASP 34 9.595 5.296 1.202 273 HA ASP 34 HA ASP 34 9.759 6.949 -0.332 274 HB2 ASP 34 1HB ASP 34 10.557 7.824 1.808 275 HB3 ASP 34 2HB ASP 34 12.219 7.492 1.338 276 HA PRO 35 HA PRO 35 12.929 4.911 -3.130 277 HB2 PRO 35 1HB PRO 35 11.274 4.123 -5.170 278 HB3 PRO 35 2HB PRO 35 11.543 3.160 -3.685 279 HG2 PRO 35 1HG PRO 35 9.259 5.079 -4.263 280 HG3 PRO 35 2HG PRO 35 9.159 3.400 -3.646 281 HD2 PRO 35 1HD PRO 35 9.070 5.530 -1.971 282 HD3 PRO 35 2HD PRO 35 9.946 4.035 -1.513 283 H GLN 36 H GLN 36 14.066 6.124 -4.499 284 HA GLN 36 HA GLN 36 12.916 8.641 -5.532 285 HB2 GLN 36 1HB GLN 36 15.189 9.418 -5.711 286 HB3 GLN 36 2HB GLN 36 14.847 8.768 -4.124 287 HG2 GLN 36 1HG GLN 36 16.995 7.998 -4.550 288 HG3 GLN 36 2HG GLN 36 16.000 6.592 -4.864 289 HE21 GLN 36 1HE2 GLN 36 17.620 5.618 -6.233 290 HE22 GLN 36 2HE2 GLN 36 18.010 6.309 -7.802 291 H ASP 37 H ASP 37 13.590 5.584 -6.837 292 HA ASP 37 HA ASP 37 13.144 6.545 -9.595 293 HB2 ASP 37 1HB ASP 37 15.592 6.444 -9.390 294 HB3 ASP 37 2HB ASP 37 15.497 4.790 -8.797 Start of MODEL 4 1 H1 GLY 1 1H GLY 1 -10.581 -19.724 -6.217 2 H2 GLY 1 2H GLY 1 -10.389 -18.863 -7.598 3 H3 GLY 1 3H GLY 1 -11.786 -18.750 -6.749 4 HA2 GLY 1 1HA GLY 1 -9.143 -17.842 -5.811 5 HA3 GLY 1 2HA GLY 1 -10.435 -16.784 -6.405 6 H SER 2 H SER 2 -9.131 -16.806 -3.765 7 HA SER 2 HA SER 2 -11.047 -17.843 -1.825 8 HB2 SER 2 1HB SER 2 -9.563 -16.697 -0.187 9 HB3 SER 2 2HB SER 2 -8.739 -17.863 -1.230 10 HG SER 2 HG SER 2 -7.572 -15.888 -1.030 11 H SER 3 H SER 3 -12.129 -16.557 -0.225 12 HA SER 3 HA SER 3 -13.494 -14.208 -1.338 13 HB2 SER 3 1HB SER 3 -14.943 -14.456 0.652 14 HB3 SER 3 2HB SER 3 -14.839 -15.924 -0.332 15 HG SER 3 HG SER 3 -14.631 -16.365 1.917 16 H GLY 4 H GLY 4 -13.933 -12.308 0.020 17 HA2 GLY 4 1HA GLY 4 -12.276 -11.565 2.247 18 HA3 GLY 4 2HA GLY 4 -11.674 -10.827 0.759 19 H SER 5 H SER 5 -12.491 -9.204 2.774 20 HA SER 5 HA SER 5 -15.280 -8.492 2.728 21 HB2 SER 5 1HB SER 5 -13.705 -8.118 4.623 22 HB3 SER 5 2HB SER 5 -12.914 -6.838 3.681 23 HG SER 5 HG SER 5 -14.550 -6.064 5.145 24 H SER 6 H SER 6 -12.459 -7.179 0.982 25 HA SER 6 HA SER 6 -14.223 -5.989 -1.027 26 HB2 SER 6 1HB SER 6 -13.183 -3.766 -0.944 27 HB3 SER 6 2HB SER 6 -14.064 -4.140 0.540 28 HG SER 6 HG SER 6 -12.051 -3.216 1.010 29 H GLY 7 H GLY 7 -13.227 -5.585 -3.017 30 HA2 GLY 7 1HA GLY 7 -10.919 -7.289 -3.577 31 HA3 GLY 7 2HA GLY 7 -11.939 -6.444 -4.737 32 H ILE 8 H ILE 8 -11.119 -3.989 -2.786 33 HA ILE 8 HA ILE 8 -9.044 -3.081 -4.665 34 HB ILE 8 HB ILE 8 -9.538 -0.819 -3.730 35 HG12 ILE 8 1HG1 ILE 8 -11.624 -0.425 -2.536 36 HG13 ILE 8 2HG1 ILE 8 -11.914 -2.149 -2.347 37 HG21 ILE 8 1HG2 ILE 8 -11.896 -2.370 -4.870 38 HG22 ILE 8 2HG2 ILE 8 -11.639 -0.616 -4.950 39 HG23 ILE 8 3HG2 ILE 8 -10.533 -1.705 -5.798 40 HD11 ILE 8 3HD1 ILE 8 -11.060 -0.998 -0.292 41 HD12 ILE 8 1HD1 ILE 8 -10.036 -2.345 -0.801 42 HD13 ILE 8 2HD1 ILE 8 -9.537 -0.666 -1.140 43 H LYS 9 H LYS 9 -8.684 -4.666 -1.864 44 HA LYS 9 HA LYS 9 -6.795 -3.003 -0.447 45 HB2 LYS 9 1HB LYS 9 -7.241 -6.009 -0.228 46 HB3 LYS 9 2HB LYS 9 -6.338 -4.986 0.898 47 HG2 LYS 9 1HG LYS 9 -8.553 -3.587 1.051 48 HG3 LYS 9 2HG LYS 9 -9.326 -5.014 0.353 49 HD2 LYS 9 1HD LYS 9 -8.522 -6.398 2.240 50 HD3 LYS 9 2HD LYS 9 -7.628 -5.007 2.889 51 HE2 LYS 9 1HE LYS 9 -9.914 -3.773 2.884 52 HE3 LYS 9 2HE LYS 9 -10.643 -5.364 2.664 53 HZ1 LYS 9 3HZ LYS 9 -10.503 -4.800 5.016 54 HZ2 LYS 9 1HZ LYS 9 -8.900 -4.505 4.919 55 HZ3 LYS 9 2HZ LYS 9 -9.467 -6.040 4.748 56 H GLN 10 H GLN 10 -4.587 -3.356 -0.068 57 HA GLN 10 HA GLN 10 -3.055 -4.283 -2.477 58 HB2 GLN 10 1HB GLN 10 -2.677 -1.674 -0.955 59 HB3 GLN 10 2HB GLN 10 -1.781 -2.207 -2.378 60 HG2 GLN 10 1HG GLN 10 -4.730 -1.444 -2.285 61 HG3 GLN 10 2HG GLN 10 -3.420 -0.485 -2.943 62 HE21 GLN 10 1HE2 GLN 10 -5.949 -1.897 -4.135 63 HE22 GLN 10 2HE2 GLN 10 -5.268 -2.624 -5.593 64 H HIS 11 H HIS 11 -0.652 -4.355 -2.068 65 HA HIS 11 HA HIS 11 0.122 -4.553 0.756 66 HB2 HIS 11 1HB HIS 11 1.301 -6.642 0.524 67 HB3 HIS 11 2HB HIS 11 -0.399 -6.870 0.146 68 HD1 HIS 11 1HD HIS 11 -0.963 -7.593 -2.402 69 HD2 HIS 11 2HD HIS 11 3.094 -6.924 -1.500 70 HE1 HIS 11 1HE HIS 11 0.368 -8.505 -4.376 71 H CYS 12 H CYS 12 2.308 -4.259 1.206 72 HA CYS 12 HA CYS 12 3.610 -2.303 -0.395 73 HB2 CYS 12 1HB CYS 12 3.683 -2.414 2.045 74 HB3 CYS 12 2HB CYS 12 4.565 -3.948 1.970 75 H ARG 13 H ARG 13 5.185 -2.318 -1.813 76 HA ARG 13 HA ARG 13 6.056 -4.774 -3.118 77 HB2 ARG 13 1HB ARG 13 5.678 -2.633 -4.317 78 HB3 ARG 13 2HB ARG 13 6.967 -1.870 -3.391 79 HG2 ARG 13 1HG ARG 13 7.711 -2.409 -5.640 80 HG3 ARG 13 2HG ARG 13 8.646 -3.325 -4.458 81 HD2 ARG 13 1HD ARG 13 7.278 -5.339 -4.921 82 HD3 ARG 13 2HD ARG 13 6.281 -4.403 -6.057 83 HE ARG 13 HE ARG 13 9.013 -4.183 -6.841 84 HH11 ARG 13 2HH1 ARG 13 6.519 -6.647 -6.804 85 HH12 ARG 13 1HH1 ARG 13 7.234 -7.516 -8.135 86 HH21 ARG 13 2HH2 ARG 13 9.865 -5.339 -8.537 87 HH22 ARG 13 1HH2 ARG 13 9.076 -6.788 -9.085 88 H PHE 14 H PHE 14 7.346 -2.780 -0.558 89 HA PHE 14 HA PHE 14 10.078 -3.893 -0.885 90 HB2 PHE 14 1HB PHE 14 9.081 -1.675 0.905 91 HB3 PHE 14 2HB PHE 14 10.754 -2.067 0.555 92 HD1 PHE 14 2HD PHE 14 11.713 -1.608 -1.718 93 HD2 PHE 14 1HD PHE 14 7.716 -0.382 -0.651 94 HE1 PHE 14 2HE PHE 14 11.654 -0.077 -3.676 95 HE2 PHE 14 1HE PHE 14 7.661 1.144 -2.608 96 HZ PHE 14 HZ PHE 14 9.627 1.292 -4.127 97 H CYS 15 H CYS 15 7.443 -3.906 1.516 98 HA CYS 15 HA CYS 15 8.947 -5.968 3.044 99 HB2 CYS 15 1HB CYS 15 8.537 -4.962 5.121 100 HB3 CYS 15 2HB CYS 15 9.305 -3.778 4.079 101 H LYS 16 H LYS 16 6.308 -5.661 1.288 102 HA LYS 16 HA LYS 16 4.445 -6.893 0.951 103 HB2 LYS 16 1HB LYS 16 6.240 -8.864 2.368 104 HB3 LYS 16 2HB LYS 16 4.676 -9.332 1.732 105 HG2 LYS 16 1HG LYS 16 6.304 -9.911 0.131 106 HG3 LYS 16 2HG LYS 16 5.299 -8.625 -0.532 107 HD2 LYS 16 1HD LYS 16 7.092 -6.997 -0.247 108 HD3 LYS 16 2HD LYS 16 8.074 -8.174 0.661 109 HE2 LYS 16 1HE LYS 16 8.166 -9.625 -1.348 110 HE3 LYS 16 2HE LYS 16 7.164 -8.474 -2.239 111 HZ1 LYS 16 3HZ LYS 16 9.541 -8.184 -2.707 112 HZ2 LYS 16 1HZ LYS 16 9.856 -7.856 -1.140 113 HZ3 LYS 16 2HZ LYS 16 8.930 -6.829 -2.030 114 H LYS 17 H LYS 17 4.467 -5.411 3.702 115 HA LYS 17 HA LYS 17 2.353 -6.713 5.189 116 HB2 LYS 17 1HB LYS 17 3.152 -3.781 5.052 117 HB3 LYS 17 2HB LYS 17 2.018 -4.493 6.216 118 HG2 LYS 17 1HG LYS 17 3.781 -5.858 7.203 119 HG3 LYS 17 2HG LYS 17 4.916 -5.392 5.927 120 HD2 LYS 17 1HD LYS 17 4.734 -2.998 6.692 121 HD3 LYS 17 2HD LYS 17 3.725 -3.544 8.035 122 HE2 LYS 17 1HE LYS 17 6.037 -3.215 8.754 123 HE3 LYS 17 2HE LYS 17 5.575 -4.912 8.912 124 HZ1 LYS 17 3HZ LYS 17 7.811 -4.510 7.866 125 HZ2 LYS 17 1HZ LYS 17 7.055 -3.873 6.546 126 HZ3 LYS 17 2HZ LYS 17 6.818 -5.428 6.947 127 H LYS 18 H LYS 18 0.181 -6.234 5.289 128 HA LYS 18 HA LYS 18 -1.085 -5.541 2.694 129 HB2 LYS 18 1HB LYS 18 -2.013 -6.936 5.217 130 HB3 LYS 18 2HB LYS 18 -3.101 -6.563 3.862 131 HG2 LYS 18 1HG LYS 18 -1.635 -7.864 2.324 132 HG3 LYS 18 2HG LYS 18 -0.607 -8.322 3.686 133 HD2 LYS 18 1HD LYS 18 -3.568 -9.004 3.404 134 HD3 LYS 18 2HD LYS 18 -2.220 -10.090 3.031 135 HE2 LYS 18 1HE LYS 18 -1.444 -9.932 5.398 136 HE3 LYS 18 2HE LYS 18 -2.832 -8.902 5.776 137 HZ1 LYS 18 3HZ LYS 18 -4.291 -10.754 5.146 138 HZ2 LYS 18 1HZ LYS 18 -3.278 -11.220 6.335 139 HZ3 LYS 18 2HZ LYS 18 -3.008 -11.706 4.802 140 H TYR 19 H TYR 19 -2.628 -4.050 2.383 141 HA TYR 19 HA TYR 19 -3.396 -2.174 4.569 142 HB2 TYR 19 1HB TYR 19 -2.007 -1.531 1.955 143 HB3 TYR 19 2HB TYR 19 -3.051 -0.354 2.739 144 HD1 TYR 19 1HD TYR 19 -2.524 0.636 4.891 145 HD2 TYR 19 2HD TYR 19 0.167 -2.169 3.024 146 HE1 TYR 19 1HE TYR 19 -0.760 1.234 6.544 147 HE2 TYR 19 2HE TYR 19 1.930 -1.576 4.681 148 HH TYR 19 HH TYR 19 2.432 -0.385 6.569 149 H SER 20 H SER 20 -5.450 -1.562 4.558 150 HA SER 20 HA SER 20 -7.311 -2.730 2.697 151 HB2 SER 20 1HB SER 20 -7.702 -0.765 4.973 152 HB3 SER 20 2HB SER 20 -9.019 -1.550 4.084 153 HG SER 20 HG SER 20 -8.134 -2.554 6.142 154 H ASP 21 H ASP 21 -5.574 0.188 2.432 155 HA ASP 21 HA ASP 21 -7.233 1.018 0.150 156 HB2 ASP 21 1HB ASP 21 -8.138 2.223 2.180 157 HB3 ASP 21 2HB ASP 21 -6.558 2.980 2.382 158 H VAL 22 H VAL 22 -6.061 2.016 -1.460 159 HA VAL 22 HA VAL 22 -3.252 1.583 -1.543 160 HB VAL 22 HB VAL 22 -4.801 1.643 -3.470 161 HG11 VAL 22 1HG1 VAL 22 -5.386 3.659 -4.627 162 HG12 VAL 22 2HG1 VAL 22 -6.020 3.761 -2.979 163 HG13 VAL 22 3HG1 VAL 22 -4.555 4.664 -3.432 164 HG21 VAL 22 3HG2 VAL 22 -3.209 2.501 -5.079 165 HG22 VAL 22 1HG2 VAL 22 -2.387 3.444 -3.822 166 HG23 VAL 22 2HG2 VAL 22 -2.350 1.669 -3.773 167 H LYS 23 H LYS 23 -5.063 4.523 -0.615 168 HA LYS 23 HA LYS 23 -2.730 6.206 -0.949 169 HB2 LYS 23 1HB LYS 23 -5.285 6.723 0.644 170 HB3 LYS 23 2HB LYS 23 -4.083 7.937 0.242 171 HG2 LYS 23 1HG LYS 23 -5.852 6.417 -1.723 172 HG3 LYS 23 2HG LYS 23 -6.042 8.087 -1.227 173 HD2 LYS 23 1HD LYS 23 -3.748 6.933 -2.866 174 HD3 LYS 23 2HD LYS 23 -5.059 7.922 -3.473 175 HE2 LYS 23 1HE LYS 23 -2.969 8.858 -1.451 176 HE3 LYS 23 2HE LYS 23 -2.889 9.137 -3.189 177 HZ1 LYS 23 3HZ LYS 23 -5.046 10.167 -1.421 178 HZ2 LYS 23 1HZ LYS 23 -4.968 10.395 -3.038 179 HZ3 LYS 23 2HZ LYS 23 -3.838 11.053 -2.067 180 H ASN 24 H ASN 24 -4.097 4.392 1.735 181 HA ASN 24 HA ASN 24 -2.297 5.363 3.780 182 HB2 ASN 24 1HB ASN 24 -4.529 4.164 4.090 183 HB3 ASN 24 2HB ASN 24 -3.716 2.666 3.632 184 HD21 ASN 24 2HD2 ASN 24 -4.743 2.277 5.912 185 HD22 ASN 24 1HD2 ASN 24 -3.654 2.583 7.256 186 H LEU 25 H LEU 25 -2.138 2.625 1.440 187 HA LEU 25 HA LEU 25 0.434 1.697 2.286 188 HB2 LEU 25 1HB LEU 25 -0.987 0.308 0.918 189 HB3 LEU 25 2HB LEU 25 -1.008 1.500 -0.379 190 HG LEU 25 HG LEU 25 1.388 1.161 -0.797 191 HD11 LEU 25 1HD1 LEU 25 2.060 0.454 1.552 192 HD12 LEU 25 2HD1 LEU 25 2.687 -0.544 0.259 193 HD13 LEU 25 3HD1 LEU 25 1.306 -1.119 1.222 194 HD21 LEU 25 3HD2 LEU 25 -0.267 -0.224 -1.976 195 HD22 LEU 25 1HD2 LEU 25 -0.134 -1.461 -0.700 196 HD23 LEU 25 2HD2 LEU 25 1.264 -1.080 -1.730 197 H ILE 26 H ILE 26 -0.440 4.173 -0.209 198 HA ILE 26 HA ILE 26 2.251 4.736 -0.986 199 HB ILE 26 HB ILE 26 -0.283 6.394 -1.072 200 HG12 ILE 26 1HG1 ILE 26 1.368 5.139 -3.319 201 HG13 ILE 26 2HG1 ILE 26 0.063 4.278 -2.521 202 HG21 ILE 26 1HG2 ILE 26 0.923 7.964 -2.592 203 HG22 ILE 26 2HG2 ILE 26 1.592 8.004 -0.973 204 HG23 ILE 26 3HG2 ILE 26 2.441 7.111 -2.256 205 HD11 ILE 26 3HD1 ILE 26 -0.769 5.216 -4.577 206 HD12 ILE 26 1HD1 ILE 26 -1.546 6.044 -3.214 207 HD13 ILE 26 2HD1 ILE 26 -0.244 6.844 -4.129 208 H LYS 27 H LYS 27 0.292 6.201 1.653 209 HA LYS 27 HA LYS 27 2.353 7.934 2.657 210 HB2 LYS 27 1HB LYS 27 -0.027 6.588 3.995 211 HB3 LYS 27 2HB LYS 27 1.058 7.694 4.846 212 HG2 LYS 27 1HG LYS 27 0.553 9.502 3.283 213 HG3 LYS 27 2HG LYS 27 -0.483 8.439 2.321 214 HD2 LYS 27 1HD LYS 27 -1.993 8.132 4.267 215 HD3 LYS 27 2HD LYS 27 -0.949 9.193 5.241 216 HE2 LYS 27 1HE LYS 27 -1.344 11.044 3.616 217 HE3 LYS 27 2HE LYS 27 -2.412 9.989 2.682 218 HZ1 LYS 27 3HZ LYS 27 -3.869 9.850 4.638 219 HZ2 LYS 27 1HZ LYS 27 -3.672 11.408 4.200 220 HZ3 LYS 27 2HZ LYS 27 -2.878 10.825 5.498 221 H HIS 28 H HIS 28 1.657 4.503 3.514 222 HA HIS 28 HA HIS 28 3.809 4.170 5.352 223 HB2 HIS 28 1HB HIS 28 2.182 2.463 5.235 224 HB3 HIS 28 2HB HIS 28 2.341 2.274 3.500 225 HD1 HIS 28 1HD HIS 28 4.277 1.371 6.699 226 HD2 HIS 28 2HD HIS 28 4.192 0.631 2.565 227 HE1 HIS 28 1HE HIS 28 5.923 -0.521 6.301 228 H ILE 29 H ILE 29 3.824 3.720 1.766 229 HA ILE 29 HA ILE 29 6.560 2.948 1.602 230 HB ILE 29 HB ILE 29 4.716 4.233 -0.435 231 HG12 ILE 29 1HG1 ILE 29 5.787 1.374 -0.303 232 HG13 ILE 29 2HG1 ILE 29 4.284 1.844 0.469 233 HG21 ILE 29 1HG2 ILE 29 6.389 3.536 -2.167 234 HG22 ILE 29 2HG2 ILE 29 7.034 4.771 -1.104 235 HG23 ILE 29 3HG2 ILE 29 7.510 3.076 -0.873 236 HD11 ILE 29 3HD1 ILE 29 3.377 2.594 -1.732 237 HD12 ILE 29 1HD1 ILE 29 4.847 1.968 -2.516 238 HD13 ILE 29 2HD1 ILE 29 3.766 0.863 -1.661 239 H ARG 30 H ARG 30 5.141 6.257 1.306 240 HA ARG 30 HA ARG 30 7.743 7.525 0.986 241 HB2 ARG 30 1HB ARG 30 4.915 8.481 1.516 242 HB3 ARG 30 2HB ARG 30 6.259 9.586 1.762 243 HG2 ARG 30 1HG ARG 30 5.381 9.908 -0.450 244 HG3 ARG 30 2HG ARG 30 7.032 9.290 -0.535 245 HD2 ARG 30 1HD ARG 30 6.158 7.030 -1.054 246 HD3 ARG 30 2HD ARG 30 4.498 7.664 -0.961 247 HE ARG 30 HE ARG 30 5.887 9.261 -2.816 248 HH11 ARG 30 2HH1 ARG 30 4.881 5.913 -2.646 249 HH12 ARG 30 1HH1 ARG 30 4.794 5.755 -4.380 250 HH21 ARG 30 2HH2 ARG 30 5.751 8.993 -5.018 251 HH22 ARG 30 1HH2 ARG 30 5.269 7.461 -5.681 252 H ASP 31 H ASP 31 5.993 6.585 3.888 253 HA ASP 31 HA ASP 31 7.757 8.161 5.617 254 HB2 ASP 31 1HB ASP 31 5.356 7.723 6.096 255 HB3 ASP 31 2HB ASP 31 5.733 6.012 6.319 256 H MET 32 H MET 32 7.591 4.738 4.612 257 HA MET 32 HA MET 32 9.807 4.045 6.480 258 HB2 MET 32 1HB MET 32 7.809 2.323 4.972 259 HB3 MET 32 2HB MET 32 9.062 1.708 6.038 260 HG2 MET 32 1HG MET 32 6.796 3.557 6.865 261 HG3 MET 32 2HG MET 32 6.872 1.827 7.153 262 HE1 MET 32 3HE MET 32 9.900 1.295 8.149 263 HE2 MET 32 1HE MET 32 9.620 1.435 9.895 264 HE3 MET 32 2HE MET 32 8.420 0.618 8.871 265 H HIS 33 H HIS 33 9.263 4.233 2.999 266 HA HIS 33 HA HIS 33 11.856 2.789 2.529 267 HB2 HIS 33 1HB HIS 33 9.368 2.695 0.801 268 HB3 HIS 33 2HB HIS 33 10.845 1.761 0.595 269 HD1 HIS 33 1HD HIS 33 11.229 0.482 3.427 270 HD2 HIS 33 2HD HIS 33 7.537 1.016 1.509 271 HE1 HIS 33 1HE HIS 33 9.652 -1.196 4.491 272 H ASP 34 H ASP 34 9.690 5.311 1.308 273 HA ASP 34 HA ASP 34 9.934 7.003 -0.173 274 HB2 ASP 34 1HB ASP 34 10.762 7.769 2.001 275 HB3 ASP 34 2HB ASP 34 12.408 7.389 1.517 276 HA PRO 35 HA PRO 35 13.003 4.980 -3.089 277 HB2 PRO 35 1HB PRO 35 11.287 4.404 -5.150 278 HB3 PRO 35 2HB PRO 35 11.533 3.329 -3.740 279 HG2 PRO 35 1HG PRO 35 9.329 5.384 -4.145 280 HG3 PRO 35 2HG PRO 35 9.161 3.670 -3.649 281 HD2 PRO 35 1HD PRO 35 9.187 5.670 -1.821 282 HD3 PRO 35 2HD PRO 35 10.009 4.115 -1.486 283 H GLN 36 H GLN 36 14.092 6.094 -4.624 284 HA GLN 36 HA GLN 36 12.925 8.601 -5.760 285 HB2 GLN 36 1HB GLN 36 14.921 9.813 -5.168 286 HB3 GLN 36 2HB GLN 36 14.194 9.104 -3.728 287 HG2 GLN 36 1HG GLN 36 15.889 7.287 -3.749 288 HG3 GLN 36 2HG GLN 36 16.601 7.953 -5.220 289 HE21 GLN 36 1HE2 GLN 36 18.453 7.690 -3.410 290 HE22 GLN 36 2HE2 GLN 36 18.786 9.197 -2.563 291 H ASP 37 H ASP 37 14.168 5.731 -6.719 292 HA ASP 37 HA ASP 37 15.067 6.749 -9.338 293 HB2 ASP 37 1HB ASP 37 17.135 6.656 -7.997 294 HB3 ASP 37 2HB ASP 37 16.807 4.979 -7.577 Start of MODEL 5 1 H1 GLY 1 1H GLY 1 -10.082 -15.831 -14.413 2 H2 GLY 1 2H GLY 1 -8.583 -15.340 -13.965 3 H3 GLY 1 3H GLY 1 -9.315 -14.656 -15.260 4 HA2 GLY 1 1HA GLY 1 -11.017 -13.678 -13.873 5 HA3 GLY 1 2HA GLY 1 -10.246 -14.437 -12.469 6 H SER 2 H SER 2 -10.743 -11.568 -13.108 7 HA SER 2 HA SER 2 -8.063 -10.403 -13.518 8 HB2 SER 2 1HB SER 2 -9.336 -8.286 -13.728 9 HB3 SER 2 2HB SER 2 -9.862 -9.544 -14.857 10 HG SER 2 HG SER 2 -11.636 -8.488 -13.826 11 H SER 3 H SER 3 -9.384 -11.586 -10.830 12 HA SER 3 HA SER 3 -8.362 -9.453 -9.001 13 HB2 SER 3 1HB SER 3 -10.139 -10.090 -7.441 14 HB3 SER 3 2HB SER 3 -10.805 -9.542 -8.985 15 HG SER 3 HG SER 3 -11.821 -11.465 -8.240 16 H GLY 4 H GLY 4 -8.046 -10.466 -6.692 17 HA2 GLY 4 1HA GLY 4 -6.945 -11.924 -5.284 18 HA3 GLY 4 2HA GLY 4 -7.355 -13.229 -6.395 19 H SER 5 H SER 5 -5.773 -14.084 -7.663 20 HA SER 5 HA SER 5 -2.984 -13.358 -7.377 21 HB2 SER 5 1HB SER 5 -4.328 -15.170 -9.418 22 HB3 SER 5 2HB SER 5 -2.596 -15.113 -9.036 23 HG SER 5 HG SER 5 -3.676 -16.816 -7.928 24 H SER 6 H SER 6 -5.460 -12.077 -9.363 25 HA SER 6 HA SER 6 -3.485 -10.706 -11.147 26 HB2 SER 6 1HB SER 6 -5.016 -12.385 -12.276 27 HB3 SER 6 2HB SER 6 -6.372 -11.351 -11.805 28 HG SER 6 HG SER 6 -4.271 -10.875 -13.643 29 H GLY 7 H GLY 7 -4.376 -8.596 -11.988 30 HA2 GLY 7 1HA GLY 7 -5.251 -6.471 -11.687 31 HA3 GLY 7 2HA GLY 7 -6.258 -7.079 -10.381 32 H ILE 8 H ILE 8 -5.670 -4.840 -9.650 33 HA ILE 8 HA ILE 8 -3.017 -4.290 -8.653 34 HB ILE 8 HB ILE 8 -4.403 -2.551 -9.477 35 HG12 ILE 8 1HG1 ILE 8 -2.720 -2.170 -7.559 36 HG13 ILE 8 2HG1 ILE 8 -3.781 -0.884 -8.093 37 HG21 ILE 8 1HG2 ILE 8 -6.384 -1.661 -8.299 38 HG22 ILE 8 2HG2 ILE 8 -6.651 -3.275 -8.955 39 HG23 ILE 8 3HG2 ILE 8 -6.370 -3.069 -7.217 40 HD11 ILE 8 3HD1 ILE 8 -4.351 -2.541 -5.605 41 HD12 ILE 8 1HD1 ILE 8 -3.513 -0.981 -5.625 42 HD13 ILE 8 2HD1 ILE 8 -5.198 -1.081 -6.150 43 H LYS 9 H LYS 9 -2.152 -4.442 -6.670 44 HA LYS 9 HA LYS 9 -3.665 -5.939 -4.577 45 HB2 LYS 9 1HB LYS 9 -1.618 -6.896 -3.843 46 HB3 LYS 9 2HB LYS 9 -1.730 -7.114 -5.586 47 HG2 LYS 9 1HG LYS 9 -0.176 -5.136 -5.876 48 HG3 LYS 9 2HG LYS 9 -0.007 -5.063 -4.112 49 HD2 LYS 9 1HD LYS 9 0.898 -7.401 -4.121 50 HD3 LYS 9 2HD LYS 9 0.710 -7.437 -5.876 51 HE2 LYS 9 1HE LYS 9 2.971 -6.936 -5.601 52 HE3 LYS 9 2HE LYS 9 2.231 -5.381 -5.982 53 HZ1 LYS 9 3HZ LYS 9 3.035 -6.329 -3.274 54 HZ2 LYS 9 1HZ LYS 9 2.263 -4.910 -3.530 55 HZ3 LYS 9 2HZ LYS 9 3.759 -5.159 -4.133 56 H GLN 10 H GLN 10 -3.600 -5.372 -2.455 57 HA GLN 10 HA GLN 10 -2.635 -2.636 -1.802 58 HB2 GLN 10 1HB GLN 10 -4.716 -4.273 -0.322 59 HB3 GLN 10 2HB GLN 10 -4.185 -2.627 0.023 60 HG2 GLN 10 1HG GLN 10 -6.181 -2.293 -1.116 61 HG3 GLN 10 2HG GLN 10 -4.938 -1.956 -2.306 62 HE21 GLN 10 1HE2 GLN 10 -6.787 -2.287 -3.874 63 HE22 GLN 10 2HE2 GLN 10 -7.143 -3.942 -4.346 64 H HIS 11 H HIS 11 -0.891 -4.947 -1.966 65 HA HIS 11 HA HIS 11 0.200 -5.064 0.805 66 HB2 HIS 11 1HB HIS 11 0.718 -6.886 -1.570 67 HB3 HIS 11 2HB HIS 11 1.523 -6.986 -0.009 68 HD1 HIS 11 1HD HIS 11 -1.758 -7.950 -1.687 69 HD2 HIS 11 2HD HIS 11 0.162 -8.040 2.054 70 HE1 HIS 11 1HE HIS 11 -3.111 -9.540 -0.231 71 H CYS 12 H CYS 12 2.256 -4.375 1.173 72 HA CYS 12 HA CYS 12 3.385 -2.323 -0.339 73 HB2 CYS 12 1HB CYS 12 3.582 -2.656 2.052 74 HB3 CYS 12 2HB CYS 12 4.546 -4.111 1.814 75 H ARG 13 H ARG 13 5.378 -2.061 -1.258 76 HA ARG 13 HA ARG 13 6.156 -4.109 -3.270 77 HB2 ARG 13 1HB ARG 13 5.642 -1.799 -3.944 78 HB3 ARG 13 2HB ARG 13 6.895 -1.175 -2.876 79 HG2 ARG 13 1HG ARG 13 8.642 -2.278 -4.218 80 HG3 ARG 13 2HG ARG 13 7.414 -3.005 -5.269 81 HD2 ARG 13 1HD ARG 13 7.859 -0.013 -4.879 82 HD3 ARG 13 2HD ARG 13 8.549 -0.968 -6.202 83 HE ARG 13 HE ARG 13 5.797 -1.447 -6.309 84 HH11 ARG 13 2HH1 ARG 13 7.836 1.374 -6.694 85 HH12 ARG 13 1HH1 ARG 13 6.697 2.169 -7.746 86 HH21 ARG 13 2HH2 ARG 13 4.385 -0.376 -7.657 87 HH22 ARG 13 1HH2 ARG 13 4.801 1.194 -8.277 88 H PHE 14 H PHE 14 7.343 -2.805 -0.274 89 HA PHE 14 HA PHE 14 10.073 -3.953 -0.776 90 HB2 PHE 14 1HB PHE 14 9.247 -1.636 0.976 91 HB3 PHE 14 2HB PHE 14 10.890 -2.185 0.693 92 HD1 PHE 14 2HD PHE 14 11.920 -1.953 -1.609 93 HD2 PHE 14 1HD PHE 14 8.127 -0.170 -0.593 94 HE1 PHE 14 2HE PHE 14 12.108 -0.429 -3.563 95 HE2 PHE 14 1HE PHE 14 8.323 1.357 -2.542 96 HZ PHE 14 HZ PHE 14 10.317 1.232 -4.026 97 H CYS 15 H CYS 15 7.423 -3.974 1.561 98 HA CYS 15 HA CYS 15 8.907 -6.057 3.088 99 HB2 CYS 15 1HB CYS 15 8.175 -5.205 5.187 100 HB3 CYS 15 2HB CYS 15 9.054 -3.951 4.319 101 H LYS 16 H LYS 16 6.356 -5.617 1.173 102 HA LYS 16 HA LYS 16 4.405 -6.630 0.688 103 HB2 LYS 16 1HB LYS 16 5.748 -8.990 2.034 104 HB3 LYS 16 2HB LYS 16 4.385 -9.073 0.911 105 HG2 LYS 16 1HG LYS 16 5.764 -8.032 -0.870 106 HG3 LYS 16 2HG LYS 16 7.156 -7.987 0.232 107 HD2 LYS 16 1HD LYS 16 7.075 -10.449 0.453 108 HD3 LYS 16 2HD LYS 16 5.692 -10.505 -0.666 109 HE2 LYS 16 1HE LYS 16 7.088 -9.459 -2.436 110 HE3 LYS 16 2HE LYS 16 8.460 -9.394 -1.324 111 HZ1 LYS 16 3HZ LYS 16 7.142 -11.892 -2.253 112 HZ2 LYS 16 1HZ LYS 16 8.411 -11.830 -1.224 113 HZ3 LYS 16 2HZ LYS 16 8.588 -11.341 -2.769 114 H LYS 17 H LYS 17 4.573 -5.561 3.677 115 HA LYS 17 HA LYS 17 2.385 -6.854 5.021 116 HB2 LYS 17 1HB LYS 17 3.413 -3.990 5.221 117 HB3 LYS 17 2HB LYS 17 2.241 -4.740 6.316 118 HG2 LYS 17 1HG LYS 17 3.916 -6.444 6.978 119 HG3 LYS 17 2HG LYS 17 5.104 -5.712 5.883 120 HD2 LYS 17 1HD LYS 17 4.935 -3.570 7.165 121 HD3 LYS 17 2HD LYS 17 3.829 -4.372 8.307 122 HE2 LYS 17 1HE LYS 17 5.598 -6.068 8.790 123 HE3 LYS 17 2HE LYS 17 6.685 -5.247 7.662 124 HZ1 LYS 17 3HZ LYS 17 5.577 -4.035 10.142 125 HZ2 LYS 17 1HZ LYS 17 6.592 -3.284 9.100 126 HZ3 LYS 17 2HZ LYS 17 7.106 -4.572 9.959 127 H LYS 18 H LYS 18 0.234 -6.217 5.277 128 HA LYS 18 HA LYS 18 -0.988 -5.168 2.786 129 HB2 LYS 18 1HB LYS 18 -1.511 -7.448 3.831 130 HB3 LYS 18 2HB LYS 18 -2.360 -6.567 5.101 131 HG2 LYS 18 1HG LYS 18 -3.835 -5.529 3.348 132 HG3 LYS 18 2HG LYS 18 -2.951 -6.429 2.099 133 HD2 LYS 18 1HD LYS 18 -3.672 -8.568 3.193 134 HD3 LYS 18 2HD LYS 18 -4.586 -7.623 4.388 135 HE2 LYS 18 1HE LYS 18 -5.928 -6.613 2.551 136 HE3 LYS 18 2HE LYS 18 -5.017 -7.558 1.366 137 HZ1 LYS 18 3HZ LYS 18 -5.878 -9.585 2.423 138 HZ2 LYS 18 1HZ LYS 18 -7.116 -8.643 1.931 139 HZ3 LYS 18 2HZ LYS 18 -6.724 -8.708 3.513 140 H TYR 19 H TYR 19 -2.392 -3.521 2.657 141 HA TYR 19 HA TYR 19 -3.260 -2.073 5.123 142 HB2 TYR 19 1HB TYR 19 -2.058 -0.937 2.596 143 HB3 TYR 19 2HB TYR 19 -3.223 -0.005 3.517 144 HD1 TYR 19 2HD TYR 19 0.122 -1.679 3.770 145 HD2 TYR 19 1HD TYR 19 -2.678 1.069 5.570 146 HE1 TYR 19 2HE TYR 19 1.846 -1.005 5.433 147 HE2 TYR 19 1HE TYR 19 -0.946 1.753 7.217 148 HH TYR 19 HH TYR 19 1.171 1.418 7.997 149 H SER 20 H SER 20 -5.294 -0.959 4.931 150 HA SER 20 HA SER 20 -7.264 -2.495 3.408 151 HB2 SER 20 1HB SER 20 -8.879 -1.113 4.705 152 HB3 SER 20 2HB SER 20 -7.710 -1.985 5.710 153 HG SER 20 HG SER 20 -7.965 0.214 6.362 154 H ASP 21 H ASP 21 -5.505 0.333 2.727 155 HA ASP 21 HA ASP 21 -7.278 1.127 0.495 156 HB2 ASP 21 1HB ASP 21 -8.199 2.501 2.183 157 HB3 ASP 21 2HB ASP 21 -6.637 2.777 2.950 158 H VAL 22 H VAL 22 -6.223 2.084 -1.193 159 HA VAL 22 HA VAL 22 -3.441 1.532 -1.501 160 HB VAL 22 HB VAL 22 -5.158 1.559 -3.287 161 HG11 VAL 22 1HG1 VAL 22 -4.821 4.575 -3.396 162 HG12 VAL 22 2HG1 VAL 22 -5.777 3.551 -4.477 163 HG13 VAL 22 3HG1 VAL 22 -6.267 3.736 -2.789 164 HG21 VAL 22 3HG2 VAL 22 -3.694 2.293 -5.068 165 HG22 VAL 22 1HG2 VAL 22 -2.729 3.255 -3.933 166 HG23 VAL 22 2HG2 VAL 22 -2.749 1.483 -3.807 167 H LYS 23 H LYS 23 -5.102 4.509 -0.546 168 HA LYS 23 HA LYS 23 -2.872 6.220 -1.204 169 HB2 LYS 23 1HB LYS 23 -5.075 6.973 0.742 170 HB3 LYS 23 2HB LYS 23 -4.166 8.021 -0.338 171 HG2 LYS 23 1HG LYS 23 -5.354 7.058 -2.295 172 HG3 LYS 23 2HG LYS 23 -6.203 5.931 -1.236 173 HD2 LYS 23 1HD LYS 23 -7.026 8.093 0.028 174 HD3 LYS 23 2HD LYS 23 -6.563 8.906 -1.474 175 HE2 LYS 23 1HE LYS 23 -8.846 8.376 -1.781 176 HE3 LYS 23 2HE LYS 23 -7.984 7.136 -2.695 177 HZ1 LYS 23 3HZ LYS 23 -9.167 6.821 0.015 178 HZ2 LYS 23 1HZ LYS 23 -8.275 5.652 -0.686 179 HZ3 LYS 23 2HZ LYS 23 -9.701 6.111 -1.351 180 H ASN 24 H ASN 24 -4.154 4.753 1.729 181 HA ASN 24 HA ASN 24 -2.100 5.593 3.574 182 HB2 ASN 24 1HB ASN 24 -4.120 3.316 3.524 183 HB3 ASN 24 2HB ASN 24 -2.930 3.482 4.813 184 HD21 ASN 24 1HD2 ASN 24 -5.643 5.242 3.220 185 HD22 ASN 24 2HD2 ASN 24 -5.988 6.204 4.660 186 H LEU 25 H LEU 25 -2.294 2.743 1.360 187 HA LEU 25 HA LEU 25 0.189 1.605 2.192 188 HB2 LEU 25 1HB LEU 25 -1.539 0.446 0.815 189 HB3 LEU 25 2HB LEU 25 -1.162 1.512 -0.534 190 HG LEU 25 HG LEU 25 1.193 0.620 -0.554 191 HD11 LEU 25 1HD1 LEU 25 1.641 -1.487 0.628 192 HD12 LEU 25 2HD1 LEU 25 0.063 -1.411 1.426 193 HD13 LEU 25 3HD1 LEU 25 1.329 -0.208 1.789 194 HD21 LEU 25 3HD2 LEU 25 -0.530 -0.256 -2.065 195 HD22 LEU 25 1HD2 LEU 25 -1.027 -1.425 -0.823 196 HD23 LEU 25 2HD2 LEU 25 0.590 -1.534 -1.564 197 H ILE 26 H ILE 26 -0.507 4.025 -0.385 198 HA ILE 26 HA ILE 26 2.226 4.395 -1.187 199 HB ILE 26 HB ILE 26 -0.232 6.159 -1.374 200 HG12 ILE 26 1HG1 ILE 26 1.371 4.728 -3.547 201 HG13 ILE 26 2HG1 ILE 26 0.027 3.964 -2.717 202 HG21 ILE 26 1HG2 ILE 26 2.545 6.703 -2.529 203 HG22 ILE 26 2HG2 ILE 26 1.068 7.593 -2.959 204 HG23 ILE 26 3HG2 ILE 26 1.692 7.693 -1.322 205 HD11 ILE 26 3HD1 ILE 26 -1.498 5.780 -3.492 206 HD12 ILE 26 1HD1 ILE 26 -0.156 6.453 -4.452 207 HD13 ILE 26 2HD1 ILE 26 -0.771 4.833 -4.804 208 H LYS 27 H LYS 27 0.290 6.093 1.345 209 HA LYS 27 HA LYS 27 2.418 7.772 2.238 210 HB2 LYS 27 1HB LYS 27 -0.010 8.028 2.787 211 HB3 LYS 27 2HB LYS 27 0.098 6.625 3.859 212 HG2 LYS 27 1HG LYS 27 1.746 7.818 5.274 213 HG3 LYS 27 2HG LYS 27 1.703 9.201 4.160 214 HD2 LYS 27 1HD LYS 27 -0.709 9.539 4.676 215 HD3 LYS 27 2HD LYS 27 -0.686 8.112 5.717 216 HE2 LYS 27 1HE LYS 27 -0.566 10.012 7.148 217 HE3 LYS 27 2HE LYS 27 1.008 9.217 7.185 218 HZ1 LYS 27 3HZ LYS 27 0.354 11.638 5.581 219 HZ2 LYS 27 1HZ LYS 27 1.826 10.926 5.644 220 HZ3 LYS 27 2HZ LYS 27 1.204 11.637 6.971 221 H HIS 28 H HIS 28 1.613 4.422 3.268 222 HA HIS 28 HA HIS 28 3.712 4.105 5.175 223 HB2 HIS 28 1HB HIS 28 2.035 2.446 5.058 224 HB3 HIS 28 2HB HIS 28 2.237 2.196 3.340 225 HD1 HIS 28 1HD HIS 28 3.680 1.030 6.628 226 HD2 HIS 28 2HD HIS 28 4.256 0.632 2.493 227 HE1 HIS 28 1HE HIS 28 5.319 -0.889 6.345 228 H ILE 29 H ILE 29 3.795 3.678 1.592 229 HA ILE 29 HA ILE 29 6.584 2.981 1.495 230 HB ILE 29 HB ILE 29 4.693 4.096 -0.595 231 HG12 ILE 29 1HG1 ILE 29 5.904 1.306 -0.352 232 HG13 ILE 29 2HG1 ILE 29 4.379 1.730 0.407 233 HG21 ILE 29 1HG2 ILE 29 6.400 3.438 -2.286 234 HG22 ILE 29 2HG2 ILE 29 6.962 4.751 -1.267 235 HG23 ILE 29 3HG2 ILE 29 7.549 3.100 -0.976 236 HD11 ILE 29 3HD1 ILE 29 4.921 1.744 -2.580 237 HD12 ILE 29 1HD1 ILE 29 3.890 0.636 -1.657 238 HD13 ILE 29 2HD1 ILE 29 3.426 2.339 -1.814 239 H ARG 30 H ARG 30 4.978 6.202 1.323 240 HA ARG 30 HA ARG 30 7.477 7.663 1.073 241 HB2 ARG 30 1HB ARG 30 4.844 8.668 2.233 242 HB3 ARG 30 2HB ARG 30 6.196 9.644 1.688 243 HG2 ARG 30 1HG ARG 30 4.180 8.156 0.028 244 HG3 ARG 30 2HG ARG 30 4.615 9.847 -0.007 245 HD2 ARG 30 1HD ARG 30 6.291 7.517 -1.014 246 HD3 ARG 30 2HD ARG 30 5.403 8.660 -2.006 247 HE ARG 30 HE ARG 30 8.002 9.095 -0.660 248 HH11 ARG 30 2HH1 ARG 30 5.386 10.823 -2.266 249 HH12 ARG 30 1HH1 ARG 30 6.410 12.207 -2.539 250 HH21 ARG 30 2HH2 ARG 30 9.145 10.743 -1.002 251 HH22 ARG 30 1HH2 ARG 30 8.548 12.185 -1.832 252 H ASP 31 H ASP 31 5.896 6.339 3.895 253 HA ASP 31 HA ASP 31 7.557 7.920 5.738 254 HB2 ASP 31 1HB ASP 31 5.152 7.410 6.129 255 HB3 ASP 31 2HB ASP 31 5.564 5.700 6.291 256 H MET 32 H MET 32 7.462 4.544 4.605 257 HA MET 32 HA MET 32 9.730 3.826 6.410 258 HB2 MET 32 1HB MET 32 7.683 2.120 4.942 259 HB3 MET 32 2HB MET 32 8.963 1.499 5.968 260 HG2 MET 32 1HG MET 32 6.705 3.319 6.871 261 HG3 MET 32 2HG MET 32 6.789 1.584 7.121 262 HE1 MET 32 3HE MET 32 9.852 1.054 8.050 263 HE2 MET 32 1HE MET 32 9.598 1.152 9.802 264 HE3 MET 32 2HE MET 32 8.388 0.349 8.780 265 H HIS 33 H HIS 33 9.042 4.129 2.965 266 HA HIS 33 HA HIS 33 11.606 2.737 2.310 267 HB2 HIS 33 1HB HIS 33 9.021 2.411 0.776 268 HB3 HIS 33 2HB HIS 33 10.518 1.505 0.578 269 HD1 HIS 33 1HD HIS 33 11.069 0.290 3.349 270 HD2 HIS 33 2HD HIS 33 7.236 0.865 1.743 271 HE1 HIS 33 1HE HIS 33 9.563 -1.367 4.550 272 H ASP 34 H ASP 34 10.909 5.661 2.400 273 HA ASP 34 HA ASP 34 10.346 6.677 -0.138 274 HB2 ASP 34 1HB ASP 34 10.201 7.818 2.084 275 HB3 ASP 34 2HB ASP 34 11.943 8.055 2.045 276 HA PRO 35 HA PRO 35 14.254 5.877 -2.167 277 HB2 PRO 35 1HB PRO 35 13.856 7.065 -4.601 278 HB3 PRO 35 2HB PRO 35 13.019 5.568 -4.084 279 HG2 PRO 35 1HG PRO 35 11.990 8.422 -3.927 280 HG3 PRO 35 2HG PRO 35 11.158 6.983 -4.603 281 HD2 PRO 35 1HD PRO 35 10.683 7.838 -2.075 282 HD3 PRO 35 2HD PRO 35 10.754 6.091 -2.450 283 H GLN 36 H GLN 36 16.192 6.874 -2.917 284 HA GLN 36 HA GLN 36 16.562 9.776 -2.573 285 HB2 GLN 36 1HB GLN 36 18.181 7.653 -1.094 286 HB3 GLN 36 2HB GLN 36 18.610 9.363 -1.225 287 HG2 GLN 36 1HG GLN 36 16.487 9.972 -0.056 288 HG3 GLN 36 2HG GLN 36 16.122 8.256 0.145 289 HE21 GLN 36 1HE2 GLN 36 16.095 9.422 2.472 290 HE22 GLN 36 2HE2 GLN 36 17.600 9.199 3.354 291 H ASP 37 H ASP 37 18.059 10.569 -3.881 292 HA ASP 37 HA ASP 37 19.921 8.888 -5.470 293 HB2 ASP 37 1HB ASP 37 17.857 9.019 -6.802 294 HB3 ASP 37 2HB ASP 37 17.864 10.774 -6.683 Start of MODEL 6 1 H1 GLY 1 1H GLY 1 -4.168 -24.582 0.397 2 H2 GLY 1 2H GLY 1 -5.618 -25.196 0.841 3 H3 GLY 1 3H GLY 1 -4.335 -25.311 1.855 4 HA2 GLY 1 1HA GLY 1 -5.824 -23.595 2.630 5 HA3 GLY 1 2HA GLY 1 -4.258 -22.924 2.139 6 H SER 2 H SER 2 -5.681 -20.947 2.066 7 HA SER 2 HA SER 2 -6.506 -20.413 -0.719 8 HB2 SER 2 1HB SER 2 -8.593 -21.168 0.340 9 HB3 SER 2 2HB SER 2 -8.379 -19.985 1.645 10 HG SER 2 HG SER 2 -9.798 -19.330 -0.124 11 H SER 3 H SER 3 -6.414 -18.252 -1.289 12 HA SER 3 HA SER 3 -4.883 -16.403 0.404 13 HB2 SER 3 1HB SER 3 -6.160 -15.990 -2.324 14 HB3 SER 3 2HB SER 3 -4.997 -14.910 -1.529 15 HG SER 3 HG SER 3 -3.991 -16.324 -3.046 16 H GLY 4 H GLY 4 -8.195 -17.149 0.149 17 HA2 GLY 4 1HA GLY 4 -10.021 -16.196 1.219 18 HA3 GLY 4 2HA GLY 4 -9.051 -14.810 1.704 19 H SER 5 H SER 5 -11.561 -14.348 0.958 20 HA SER 5 HA SER 5 -11.670 -13.540 -1.898 21 HB2 SER 5 1HB SER 5 -14.108 -13.507 -1.522 22 HB3 SER 5 2HB SER 5 -13.373 -15.075 -1.151 23 HG SER 5 HG SER 5 -14.855 -14.393 0.480 24 H SER 6 H SER 6 -10.899 -11.974 0.935 25 HA SER 6 HA SER 6 -12.566 -9.637 0.781 26 HB2 SER 6 1HB SER 6 -11.470 -10.444 2.843 27 HB3 SER 6 2HB SER 6 -9.895 -9.960 2.184 28 HG SER 6 HG SER 6 -10.996 -8.380 3.573 29 H GLY 7 H GLY 7 -12.081 -7.518 0.207 30 HA2 GLY 7 1HA GLY 7 -10.628 -7.226 -2.291 31 HA3 GLY 7 2HA GLY 7 -11.595 -6.005 -1.466 32 H ILE 8 H ILE 8 -9.320 -7.125 0.730 33 HA ILE 8 HA ILE 8 -7.865 -4.628 0.667 34 HB ILE 8 HB ILE 8 -6.857 -5.381 2.750 35 HG12 ILE 8 1HG1 ILE 8 -8.433 -7.981 2.414 36 HG13 ILE 8 2HG1 ILE 8 -6.695 -7.849 2.202 37 HG21 ILE 8 1HG2 ILE 8 -8.862 -5.259 4.055 38 HG22 ILE 8 2HG2 ILE 8 -9.176 -4.343 2.581 39 HG23 ILE 8 3HG2 ILE 8 -9.848 -5.969 2.760 40 HD11 ILE 8 3HD1 ILE 8 -6.470 -7.075 4.568 41 HD12 ILE 8 1HD1 ILE 8 -8.214 -7.366 4.791 42 HD13 ILE 8 2HD1 ILE 8 -7.134 -8.713 4.402 43 H LYS 9 H LYS 9 -7.257 -5.804 -1.685 44 HA LYS 9 HA LYS 9 -4.814 -7.377 -1.588 45 HB2 LYS 9 1HB LYS 9 -4.962 -7.404 -4.027 46 HB3 LYS 9 2HB LYS 9 -6.448 -7.862 -3.235 47 HG2 LYS 9 1HG LYS 9 -7.041 -6.573 -5.124 48 HG3 LYS 9 2HG LYS 9 -7.432 -5.631 -3.707 49 HD2 LYS 9 1HD LYS 9 -6.530 -4.219 -5.480 50 HD3 LYS 9 2HD LYS 9 -5.497 -4.176 -4.070 51 HE2 LYS 9 1HE LYS 9 -4.086 -4.267 -6.004 52 HE3 LYS 9 2HE LYS 9 -3.943 -5.818 -5.180 53 HZ1 LYS 9 3HZ LYS 9 -5.640 -5.301 -7.573 54 HZ2 LYS 9 1HZ LYS 9 -5.490 -6.752 -6.832 55 HZ3 LYS 9 2HZ LYS 9 -4.211 -6.084 -7.586 56 H GLN 10 H GLN 10 -5.024 -4.185 -0.995 57 HA GLN 10 HA GLN 10 -2.748 -3.208 -2.547 58 HB2 GLN 10 1HB GLN 10 -4.140 -1.975 -0.121 59 HB3 GLN 10 2HB GLN 10 -2.988 -1.198 -1.190 60 HG2 GLN 10 1HG GLN 10 -5.016 -0.399 -1.979 61 HG3 GLN 10 2HG GLN 10 -4.628 -1.672 -3.119 62 HE21 GLN 10 1HE2 GLN 10 -7.124 -1.222 -3.446 63 HE22 GLN 10 2HE2 GLN 10 -8.166 -2.253 -2.470 64 H HIS 11 H HIS 11 -0.708 -3.873 -2.120 65 HA HIS 11 HA HIS 11 0.110 -4.467 0.692 66 HB2 HIS 11 1HB HIS 11 0.607 -6.176 -1.772 67 HB3 HIS 11 2HB HIS 11 1.381 -6.413 -0.214 68 HD1 HIS 11 1HD HIS 11 -2.166 -5.761 0.581 69 HD2 HIS 11 2HD HIS 11 0.178 -8.938 -0.869 70 HE1 HIS 11 1HE HIS 11 -3.519 -7.887 0.975 71 H CYS 12 H CYS 12 2.264 -4.191 1.202 72 HA CYS 12 HA CYS 12 3.753 -2.186 -0.235 73 HB2 CYS 12 1HB CYS 12 3.767 -2.427 2.195 74 HB3 CYS 12 2HB CYS 12 4.539 -4.020 2.042 75 H ARG 13 H ARG 13 5.338 -2.324 -1.658 76 HA ARG 13 HA ARG 13 6.045 -4.888 -2.934 77 HB2 ARG 13 1HB ARG 13 7.001 -2.033 -3.431 78 HB3 ARG 13 2HB ARG 13 7.447 -3.439 -4.405 79 HG2 ARG 13 1HG ARG 13 5.053 -3.819 -4.967 80 HG3 ARG 13 2HG ARG 13 4.612 -2.365 -4.046 81 HD2 ARG 13 1HD ARG 13 6.032 -0.986 -5.526 82 HD3 ARG 13 2HD ARG 13 6.483 -2.438 -6.447 83 HE ARG 13 HE ARG 13 3.635 -2.232 -6.377 84 HH11 ARG 13 2HH1 ARG 13 6.326 -0.596 -7.912 85 HH12 ARG 13 1HH1 ARG 13 5.360 -0.087 -9.271 86 HH21 ARG 13 2HH2 ARG 13 2.462 -1.553 -8.138 87 HH22 ARG 13 1HH2 ARG 13 3.229 -0.617 -9.387 88 H PHE 14 H PHE 14 7.361 -2.943 -0.406 89 HA PHE 14 HA PHE 14 10.116 -3.996 -0.802 90 HB2 PHE 14 1HB PHE 14 9.122 -1.796 1.015 91 HB3 PHE 14 2HB PHE 14 10.791 -2.156 0.615 92 HD1 PHE 14 2HD PHE 14 11.713 -1.568 -1.619 93 HD2 PHE 14 1HD PHE 14 7.651 -0.594 -0.541 94 HE1 PHE 14 2HE PHE 14 11.576 0.010 -3.535 95 HE2 PHE 14 1HE PHE 14 7.516 0.970 -2.465 96 HZ PHE 14 HZ PHE 14 9.478 1.279 -3.959 97 H CYS 15 H CYS 15 7.525 -3.992 1.649 98 HA CYS 15 HA CYS 15 9.024 -6.072 3.152 99 HB2 CYS 15 1HB CYS 15 8.633 -5.073 5.243 100 HB3 CYS 15 2HB CYS 15 9.415 -3.895 4.203 101 H LYS 16 H LYS 16 6.391 -5.721 1.407 102 HA LYS 16 HA LYS 16 4.501 -6.921 1.073 103 HB2 LYS 16 1HB LYS 16 6.286 -8.927 2.454 104 HB3 LYS 16 2HB LYS 16 4.709 -9.373 1.830 105 HG2 LYS 16 1HG LYS 16 6.326 -9.957 0.215 106 HG3 LYS 16 2HG LYS 16 5.309 -8.673 -0.431 107 HD2 LYS 16 1HD LYS 16 7.099 -7.040 -0.180 108 HD3 LYS 16 2HD LYS 16 8.099 -8.212 0.717 109 HE2 LYS 16 1HE LYS 16 8.156 -9.676 -1.285 110 HE3 LYS 16 2HE LYS 16 7.150 -8.523 -2.170 111 HZ1 LYS 16 3HZ LYS 16 9.860 -7.916 -1.108 112 HZ2 LYS 16 1HZ LYS 16 8.932 -6.890 -1.995 113 HZ3 LYS 16 2HZ LYS 16 9.522 -8.253 -2.667 114 H LYS 17 H LYS 17 4.499 -5.363 3.681 115 HA LYS 17 HA LYS 17 2.399 -6.604 5.264 116 HB2 LYS 17 1HB LYS 17 3.288 -3.701 5.023 117 HB3 LYS 17 2HB LYS 17 2.112 -4.319 6.199 118 HG2 LYS 17 1HG LYS 17 3.796 -5.770 7.221 119 HG3 LYS 17 2HG LYS 17 4.975 -5.336 5.973 120 HD2 LYS 17 1HD LYS 17 4.861 -2.945 6.742 121 HD3 LYS 17 2HD LYS 17 3.782 -3.449 8.047 122 HE2 LYS 17 1HE LYS 17 6.084 -3.209 8.847 123 HE3 LYS 17 2HE LYS 17 5.537 -4.881 9.002 124 HZ1 LYS 17 3HZ LYS 17 6.830 -5.477 7.094 125 HZ2 LYS 17 1HZ LYS 17 7.829 -4.590 8.038 126 HZ3 LYS 17 2HZ LYS 17 7.148 -3.939 6.683 127 H LYS 18 H LYS 18 0.264 -5.676 5.519 128 HA LYS 18 HA LYS 18 -1.059 -5.387 2.848 129 HB2 LYS 18 1HB LYS 18 -1.986 -6.701 5.426 130 HB3 LYS 18 2HB LYS 18 -2.915 -6.630 3.916 131 HG2 LYS 18 1HG LYS 18 -1.082 -7.946 2.792 132 HG3 LYS 18 2HG LYS 18 -0.262 -8.085 4.347 133 HD2 LYS 18 1HD LYS 18 -2.195 -9.239 5.319 134 HD3 LYS 18 2HD LYS 18 -3.083 -9.124 3.796 135 HE2 LYS 18 1HE LYS 18 -0.352 -10.462 3.993 136 HE3 LYS 18 2HE LYS 18 -1.833 -11.337 4.385 137 HZ1 LYS 18 3HZ LYS 18 -2.637 -10.980 2.157 138 HZ2 LYS 18 1HZ LYS 18 -1.149 -11.635 2.051 139 HZ3 LYS 18 2HZ LYS 18 -1.371 -10.045 1.743 140 H TYR 19 H TYR 19 -2.660 -3.950 2.507 141 HA TYR 19 HA TYR 19 -3.703 -2.256 4.719 142 HB2 TYR 19 1HB TYR 19 -2.511 -1.305 2.083 143 HB3 TYR 19 2HB TYR 19 -3.504 -0.298 3.128 144 HD1 TYR 19 1HD TYR 19 -2.771 0.278 5.441 145 HD2 TYR 19 2HD TYR 19 -0.174 -1.754 2.657 146 HE1 TYR 19 1HE TYR 19 -0.818 0.736 6.922 147 HE2 TYR 19 2HE TYR 19 1.777 -1.289 4.138 148 HH TYR 19 HH TYR 19 2.472 -0.410 6.137 149 H SER 20 H SER 20 -5.742 -1.311 4.333 150 HA SER 20 HA SER 20 -7.482 -2.895 2.585 151 HB2 SER 20 1HB SER 20 -8.174 -0.647 4.506 152 HB3 SER 20 2HB SER 20 -9.306 -1.791 3.759 153 HG SER 20 HG SER 20 -8.710 -2.400 5.906 154 H ASP 21 H ASP 21 -5.767 -0.050 2.099 155 HA ASP 21 HA ASP 21 -7.323 0.742 -0.251 156 HB2 ASP 21 1HB ASP 21 -7.691 3.019 0.460 157 HB3 ASP 21 2HB ASP 21 -8.445 1.943 1.627 158 H VAL 22 H VAL 22 -6.227 2.449 -1.501 159 HA VAL 22 HA VAL 22 -3.407 1.847 -1.707 160 HB VAL 22 HB VAL 22 -5.036 2.245 -3.582 161 HG11 VAL 22 1HG1 VAL 22 -5.409 4.460 -4.448 162 HG12 VAL 22 2HG1 VAL 22 -6.034 4.387 -2.795 163 HG13 VAL 22 3HG1 VAL 22 -4.486 5.199 -3.130 164 HG21 VAL 22 3HG2 VAL 22 -2.438 3.798 -3.724 165 HG22 VAL 22 1HG2 VAL 22 -2.619 2.045 -3.946 166 HG23 VAL 22 2HG2 VAL 22 -3.372 3.166 -5.093 167 H LYS 23 H LYS 23 -5.140 4.477 -0.151 168 HA LYS 23 HA LYS 23 -2.992 6.397 -0.483 169 HB2 LYS 23 1HB LYS 23 -5.476 6.461 1.289 170 HB3 LYS 23 2HB LYS 23 -4.363 7.814 1.055 171 HG2 LYS 23 1HG LYS 23 -4.843 7.823 -1.374 172 HG3 LYS 23 2HG LYS 23 -5.971 6.469 -1.165 173 HD2 LYS 23 1HD LYS 23 -7.374 7.837 0.332 174 HD3 LYS 23 2HD LYS 23 -6.253 9.206 0.143 175 HE2 LYS 23 1HE LYS 23 -6.682 9.211 -2.307 176 HE3 LYS 23 2HE LYS 23 -7.799 7.853 -2.116 177 HZ1 LYS 23 3HZ LYS 23 -9.197 9.284 -0.719 178 HZ2 LYS 23 1HZ LYS 23 -8.987 9.969 -2.184 179 HZ3 LYS 23 2HZ LYS 23 -8.166 10.538 -0.896 180 H ASN 24 H ASN 24 -4.111 4.376 2.239 181 HA ASN 24 HA ASN 24 -1.979 5.150 4.046 182 HB2 ASN 24 1HB ASN 24 -3.879 2.779 3.912 183 HB3 ASN 24 2HB ASN 24 -2.616 2.902 5.137 184 HD21 ASN 24 1HD2 ASN 24 -5.839 3.743 4.496 185 HD22 ASN 24 2HD2 ASN 24 -5.978 4.960 5.768 186 H LEU 25 H LEU 25 -2.157 2.647 1.492 187 HA LEU 25 HA LEU 25 0.407 1.477 2.037 188 HB2 LEU 25 1HB LEU 25 -1.188 0.331 0.654 189 HB3 LEU 25 2HB LEU 25 -1.301 1.685 -0.465 190 HG LEU 25 HG LEU 25 1.023 1.320 -1.212 191 HD11 LEU 25 1HD1 LEU 25 2.000 0.295 0.820 192 HD12 LEU 25 2HD1 LEU 25 2.200 -0.741 -0.592 193 HD13 LEU 25 3HD1 LEU 25 0.951 -1.126 0.609 194 HD21 LEU 25 3HD2 LEU 25 -0.864 0.212 -2.363 195 HD22 LEU 25 1HD2 LEU 25 -0.659 -1.203 -1.301 196 HD23 LEU 25 2HD2 LEU 25 0.626 -0.747 -2.436 197 H ILE 26 H ILE 26 -0.509 4.175 -0.205 198 HA ILE 26 HA ILE 26 2.183 4.747 -1.005 199 HB ILE 26 HB ILE 26 -0.356 6.407 -1.003 200 HG12 ILE 26 1HG1 ILE 26 1.297 5.207 -3.284 201 HG13 ILE 26 2HG1 ILE 26 -0.057 4.373 -2.542 202 HG21 ILE 26 1HG2 ILE 26 0.865 8.036 -2.467 203 HG22 ILE 26 2HG2 ILE 26 1.498 8.016 -0.836 204 HG23 ILE 26 3HG2 ILE 26 2.380 7.169 -2.131 205 HD11 ILE 26 3HD1 ILE 26 -0.215 6.987 -4.090 206 HD12 ILE 26 1HD1 ILE 26 -0.818 5.401 -4.575 207 HD13 ILE 26 2HD1 ILE 26 -1.575 6.245 -3.209 208 H LYS 27 H LYS 27 0.253 6.103 1.726 209 HA LYS 27 HA LYS 27 2.277 7.846 2.713 210 HB2 LYS 27 1HB LYS 27 -0.080 7.909 3.420 211 HB3 LYS 27 2HB LYS 27 0.077 6.325 4.174 212 HG2 LYS 27 1HG LYS 27 0.103 8.077 5.845 213 HG3 LYS 27 2HG LYS 27 1.644 7.222 5.837 214 HD2 LYS 27 1HD LYS 27 2.695 9.090 4.588 215 HD3 LYS 27 2HD LYS 27 1.126 9.924 4.507 216 HE2 LYS 27 1HE LYS 27 1.059 10.002 6.994 217 HE3 LYS 27 2HE LYS 27 2.621 9.176 7.063 218 HZ1 LYS 27 3HZ LYS 27 2.160 11.845 5.836 219 HZ2 LYS 27 1HZ LYS 27 3.605 11.083 5.900 220 HZ3 LYS 27 2HZ LYS 27 2.880 11.581 7.274 221 H HIS 28 H HIS 28 1.724 4.373 3.468 222 HA HIS 28 HA HIS 28 3.895 4.047 5.279 223 HB2 HIS 28 1HB HIS 28 2.224 2.357 5.102 224 HB3 HIS 28 2HB HIS 28 2.470 2.159 3.375 225 HD1 HIS 28 1HD HIS 28 4.247 1.301 6.677 226 HD2 HIS 28 2HD HIS 28 4.360 0.515 2.547 227 HE1 HIS 28 1HE HIS 28 5.880 -0.619 6.388 228 H ILE 29 H ILE 29 3.865 3.646 1.682 229 HA ILE 29 HA ILE 29 6.645 2.983 1.475 230 HB ILE 29 HB ILE 29 4.740 4.230 -0.527 231 HG12 ILE 29 1HG1 ILE 29 5.781 1.363 -0.449 232 HG13 ILE 29 2HG1 ILE 29 4.315 1.830 0.391 233 HG21 ILE 29 1HG2 ILE 29 7.511 3.036 -0.994 234 HG22 ILE 29 2HG2 ILE 29 6.384 3.521 -2.274 235 HG23 ILE 29 3HG2 ILE 29 7.067 4.741 -1.216 236 HD11 ILE 29 3HD1 ILE 29 3.321 2.638 -1.750 237 HD12 ILE 29 1HD1 ILE 29 4.753 2.028 -2.612 238 HD13 ILE 29 2HD1 ILE 29 3.703 0.904 -1.743 239 H ARG 30 H ARG 30 5.020 6.181 1.268 240 HA ARG 30 HA ARG 30 7.418 7.712 0.856 241 HB2 ARG 30 1HB ARG 30 4.674 8.417 1.962 242 HB3 ARG 30 2HB ARG 30 5.953 9.616 1.731 243 HG2 ARG 30 1HG ARG 30 6.074 9.142 -0.658 244 HG3 ARG 30 2HG ARG 30 4.870 7.852 -0.511 245 HD2 ARG 30 1HD ARG 30 3.194 9.491 0.270 246 HD3 ARG 30 2HD ARG 30 4.397 10.792 0.131 247 HE ARG 30 HE ARG 30 4.290 9.517 -2.380 248 HH11 ARG 30 2HH1 ARG 30 2.093 11.435 -0.438 249 HH12 ARG 30 1HH1 ARG 30 1.217 12.008 -1.831 250 HH21 ARG 30 2HH2 ARG 30 3.135 10.291 -4.113 251 HH22 ARG 30 1HH2 ARG 30 1.800 11.375 -3.854 252 H ASP 31 H ASP 31 5.963 6.547 3.864 253 HA ASP 31 HA ASP 31 7.785 8.137 5.515 254 HB2 ASP 31 1HB ASP 31 5.413 7.626 6.098 255 HB3 ASP 31 2HB ASP 31 5.856 5.927 6.297 256 H MET 32 H MET 32 7.658 4.736 4.450 257 HA MET 32 HA MET 32 9.987 4.065 6.192 258 HB2 MET 32 1HB MET 32 7.912 2.312 4.826 259 HB3 MET 32 2HB MET 32 9.227 1.726 5.829 260 HG2 MET 32 1HG MET 32 6.992 3.564 6.760 261 HG3 MET 32 2HG MET 32 7.082 1.834 7.042 262 HE1 MET 32 3HE MET 32 8.703 0.627 8.690 263 HE2 MET 32 1HE MET 32 10.150 1.293 7.895 264 HE3 MET 32 2HE MET 32 9.956 1.441 9.652 265 H HIS 33 H HIS 33 9.199 4.220 2.745 266 HA HIS 33 HA HIS 33 11.750 2.782 2.109 267 HB2 HIS 33 1HB HIS 33 9.116 2.529 0.639 268 HB3 HIS 33 2HB HIS 33 10.587 1.607 0.349 269 HD1 HIS 33 1HD HIS 33 11.288 0.437 3.127 270 HD2 HIS 33 2HD HIS 33 7.384 0.936 1.660 271 HE1 HIS 33 1HE HIS 33 9.854 -1.214 4.418 272 H ASP 34 H ASP 34 10.491 5.792 1.839 273 HA ASP 34 HA ASP 34 10.726 6.492 -0.870 274 HB2 ASP 34 1HB ASP 34 9.664 7.883 0.791 275 HB3 ASP 34 2HB ASP 34 11.192 8.129 1.641 276 HA PRO 35 HA PRO 35 15.186 5.928 -1.231 277 HB2 PRO 35 1HB PRO 35 15.559 6.627 -3.861 278 HB3 PRO 35 2HB PRO 35 14.822 5.086 -3.330 279 HG2 PRO 35 1HG PRO 35 13.397 7.626 -4.188 280 HG3 PRO 35 2HG PRO 35 13.088 5.944 -4.730 281 HD2 PRO 35 1HD PRO 35 11.590 7.082 -2.779 282 HD3 PRO 35 2HD PRO 35 12.077 5.367 -2.672 283 H GLN 36 H GLN 36 16.751 7.213 -0.506 284 HA GLN 36 HA GLN 36 17.056 10.019 -1.323 285 HB2 GLN 36 1HB GLN 36 16.772 9.148 1.591 286 HB3 GLN 36 2HB GLN 36 17.303 10.739 1.034 287 HG2 GLN 36 1HG GLN 36 15.084 11.067 -0.080 288 HG3 GLN 36 2HG GLN 36 14.557 9.509 0.560 289 HE21 GLN 36 1HE2 GLN 36 12.792 10.890 1.448 290 HE22 GLN 36 2HE2 GLN 36 13.092 11.674 3.011 291 H ASP 37 H ASP 37 19.125 10.645 -1.287 292 HA ASP 37 HA ASP 37 21.271 8.674 -1.050 293 HB2 ASP 37 1HB ASP 37 21.206 10.291 -2.888 294 HB3 ASP 37 2HB ASP 37 21.323 11.627 -1.749 Start of MODEL 7 1 H1 GLY 1 1H GLY 1 -15.108 -21.947 13.269 2 H2 GLY 1 2H GLY 1 -14.062 -23.162 12.936 3 H3 GLY 1 3H GLY 1 -14.759 -22.318 11.715 4 HA2 GLY 1 1HA GLY 1 -12.843 -21.234 13.678 5 HA3 GLY 1 2HA GLY 1 -12.472 -21.627 11.990 6 H SER 2 H SER 2 -11.758 -19.291 12.131 7 HA SER 2 HA SER 2 -13.614 -17.142 12.361 8 HB2 SER 2 1HB SER 2 -10.960 -17.220 10.879 9 HB3 SER 2 2HB SER 2 -11.830 -15.768 11.407 10 HG SER 2 HG SER 2 -10.179 -16.393 12.891 11 H SER 3 H SER 3 -14.626 -15.821 10.865 12 HA SER 3 HA SER 3 -14.491 -16.354 7.978 13 HB2 SER 3 1HB SER 3 -16.206 -17.965 8.864 14 HB3 SER 3 2HB SER 3 -17.143 -16.580 9.456 15 HG SER 3 HG SER 3 -17.810 -17.306 7.361 16 H GLY 4 H GLY 4 -15.313 -14.650 6.716 17 HA2 GLY 4 1HA GLY 4 -16.880 -12.490 7.406 18 HA3 GLY 4 2HA GLY 4 -15.262 -11.986 7.894 19 H SER 5 H SER 5 -16.899 -10.767 5.887 20 HA SER 5 HA SER 5 -15.752 -11.480 3.263 21 HB2 SER 5 1HB SER 5 -17.801 -9.367 4.006 22 HB3 SER 5 2HB SER 5 -17.379 -9.903 2.368 23 HG SER 5 HG SER 5 -19.265 -10.950 3.171 24 H SER 6 H SER 6 -14.741 -9.426 5.715 25 HA SER 6 HA SER 6 -14.060 -7.081 4.192 26 HB2 SER 6 1HB SER 6 -13.229 -7.853 7.006 27 HB3 SER 6 2HB SER 6 -13.182 -6.230 6.285 28 HG SER 6 HG SER 6 -15.067 -6.554 7.556 29 H GLY 7 H GLY 7 -12.794 -9.064 2.820 30 HA2 GLY 7 1HA GLY 7 -9.996 -9.423 3.487 31 HA3 GLY 7 2HA GLY 7 -10.753 -9.740 1.928 32 H ILE 8 H ILE 8 -8.173 -8.548 2.461 33 HA ILE 8 HA ILE 8 -8.439 -5.943 1.040 34 HB ILE 8 HB ILE 8 -6.635 -4.989 2.347 35 HG12 ILE 8 1HG1 ILE 8 -6.810 -7.447 4.148 36 HG13 ILE 8 2HG1 ILE 8 -5.472 -7.051 3.069 37 HG21 ILE 8 1HG2 ILE 8 -7.939 -4.437 4.321 38 HG22 ILE 8 2HG2 ILE 8 -9.036 -4.630 2.951 39 HG23 ILE 8 3HG2 ILE 8 -8.895 -5.917 4.169 40 HD11 ILE 8 3HD1 ILE 8 -5.066 -4.954 4.371 41 HD12 ILE 8 1HD1 ILE 8 -6.308 -5.481 5.533 42 HD13 ILE 8 2HD1 ILE 8 -4.846 -6.447 5.305 43 H LYS 9 H LYS 9 -6.763 -5.402 -0.372 44 HA LYS 9 HA LYS 9 -5.031 -7.717 -1.239 45 HB2 LYS 9 1HB LYS 9 -6.757 -5.875 -2.948 46 HB3 LYS 9 2HB LYS 9 -5.604 -7.063 -3.570 47 HG2 LYS 9 1HG LYS 9 -6.873 -8.887 -2.436 48 HG3 LYS 9 2HG LYS 9 -8.081 -7.698 -1.909 49 HD2 LYS 9 1HD LYS 9 -8.559 -7.125 -4.274 50 HD3 LYS 9 2HD LYS 9 -7.352 -8.320 -4.805 51 HE2 LYS 9 1HE LYS 9 -8.644 -10.119 -3.670 52 HE3 LYS 9 2HE LYS 9 -9.847 -8.929 -3.153 53 HZ1 LYS 9 3HZ LYS 9 -10.550 -10.079 -5.175 54 HZ2 LYS 9 1HZ LYS 9 -9.218 -9.595 -5.982 55 HZ3 LYS 9 2HZ LYS 9 -10.331 -8.496 -5.505 56 H GLN 10 H GLN 10 -5.108 -4.307 -0.661 57 HA GLN 10 HA GLN 10 -2.905 -3.586 -2.392 58 HB2 GLN 10 1HB GLN 10 -4.116 -2.083 -0.022 59 HB3 GLN 10 2HB GLN 10 -3.025 -1.442 -1.230 60 HG2 GLN 10 1HG GLN 10 -5.049 -0.659 -1.964 61 HG3 GLN 10 2HG GLN 10 -4.813 -2.061 -2.988 62 HE21 GLN 10 1HE2 GLN 10 -7.337 -1.075 -2.897 63 HE22 GLN 10 2HE2 GLN 10 -8.357 -2.074 -1.871 64 H HIS 11 H HIS 11 -0.770 -3.978 -2.028 65 HA HIS 11 HA HIS 11 0.185 -4.288 0.761 66 HB2 HIS 11 1HB HIS 11 1.281 -6.338 0.330 67 HB3 HIS 11 2HB HIS 11 -0.388 -6.525 -0.186 68 HD1 HIS 11 1HD HIS 11 3.153 -6.107 -1.724 69 HD2 HIS 11 2HD HIS 11 -0.802 -7.168 -2.736 70 HE1 HIS 11 1HE HIS 11 3.249 -7.071 -4.079 71 H CYS 12 H CYS 12 2.347 -4.078 1.165 72 HA CYS 12 HA CYS 12 3.809 -2.082 -0.262 73 HB2 CYS 12 1HB CYS 12 3.881 -2.483 2.154 74 HB3 CYS 12 2HB CYS 12 4.635 -4.063 1.877 75 H ARG 13 H ARG 13 5.592 -2.179 -1.468 76 HA ARG 13 HA ARG 13 6.174 -4.660 -3.014 77 HB2 ARG 13 1HB ARG 13 5.569 -2.607 -4.197 78 HB3 ARG 13 2HB ARG 13 6.912 -1.733 -3.479 79 HG2 ARG 13 1HG ARG 13 7.519 -4.240 -5.054 80 HG3 ARG 13 2HG ARG 13 6.980 -2.816 -5.940 81 HD2 ARG 13 1HD ARG 13 8.775 -1.461 -5.132 82 HD3 ARG 13 2HD ARG 13 9.319 -2.681 -3.996 83 HE ARG 13 HE ARG 13 9.835 -2.563 -6.871 84 HH11 ARG 13 2HH1 ARG 13 9.818 -4.783 -4.136 85 HH12 ARG 13 1HH1 ARG 13 10.983 -5.839 -4.898 86 HH21 ARG 13 2HH2 ARG 13 11.285 -3.976 -7.767 87 HH22 ARG 13 1HH2 ARG 13 11.771 -5.400 -6.896 88 H PHE 14 H PHE 14 7.431 -3.008 -0.338 89 HA PHE 14 HA PHE 14 10.228 -3.964 -0.838 90 HB2 PHE 14 1HB PHE 14 9.280 -1.694 0.917 91 HB3 PHE 14 2HB PHE 14 10.939 -2.087 0.507 92 HD1 PHE 14 2HD PHE 14 11.800 -1.677 -1.816 93 HD2 PHE 14 1HD PHE 14 7.844 -0.453 -0.609 94 HE1 PHE 14 2HE PHE 14 11.643 -0.201 -3.811 95 HE2 PHE 14 1HE PHE 14 7.688 1.015 -2.606 96 HZ PHE 14 HZ PHE 14 9.582 1.132 -4.214 97 H CYS 15 H CYS 15 7.622 -3.978 1.563 98 HA CYS 15 HA CYS 15 9.111 -6.052 3.070 99 HB2 CYS 15 1HB CYS 15 8.716 -5.084 5.172 100 HB3 CYS 15 2HB CYS 15 9.492 -3.880 4.161 101 H LYS 16 H LYS 16 6.523 -5.634 1.306 102 HA LYS 16 HA LYS 16 4.597 -6.728 0.907 103 HB2 LYS 16 1HB LYS 16 6.055 -8.948 2.364 104 HB3 LYS 16 2HB LYS 16 4.692 -9.154 1.258 105 HG2 LYS 16 1HG LYS 16 6.016 -8.111 -0.576 106 HG3 LYS 16 2HG LYS 16 7.415 -8.005 0.511 107 HD2 LYS 16 1HD LYS 16 7.387 -10.468 0.796 108 HD3 LYS 16 2HD LYS 16 5.993 -10.579 -0.305 109 HE2 LYS 16 1HE LYS 16 7.349 -9.545 -2.115 110 HE3 LYS 16 2HE LYS 16 8.735 -9.436 -1.022 111 HZ1 LYS 16 3HZ LYS 16 8.719 -11.871 -0.870 112 HZ2 LYS 16 1HZ LYS 16 8.870 -11.412 -2.427 113 HZ3 LYS 16 2HZ LYS 16 7.438 -11.972 -1.880 114 H LYS 17 H LYS 17 4.598 -5.387 3.704 115 HA LYS 17 HA LYS 17 2.417 -6.706 5.104 116 HB2 LYS 17 1HB LYS 17 3.340 -3.805 5.150 117 HB3 LYS 17 2HB LYS 17 2.169 -4.541 6.261 118 HG2 LYS 17 1HG LYS 17 3.865 -6.036 7.176 119 HG3 LYS 17 2HG LYS 17 5.030 -5.539 5.941 120 HD2 LYS 17 1HD LYS 17 4.909 -3.183 6.853 121 HD3 LYS 17 2HD LYS 17 3.903 -3.798 8.169 122 HE2 LYS 17 1HE LYS 17 6.228 -3.580 8.883 123 HE3 LYS 17 2HE LYS 17 5.738 -5.276 8.910 124 HZ1 LYS 17 3HZ LYS 17 7.965 -4.836 7.870 125 HZ2 LYS 17 1HZ LYS 17 7.212 -4.071 6.617 126 HZ3 LYS 17 2HZ LYS 17 6.942 -5.648 6.885 127 H LYS 18 H LYS 18 0.272 -5.761 5.366 128 HA LYS 18 HA LYS 18 -0.886 -4.930 2.728 129 HB2 LYS 18 1HB LYS 18 -1.901 -6.758 4.913 130 HB3 LYS 18 2HB LYS 18 -2.915 -6.176 3.571 131 HG2 LYS 18 1HG LYS 18 -1.269 -7.150 1.948 132 HG3 LYS 18 2HG LYS 18 -0.400 -7.882 3.304 133 HD2 LYS 18 1HD LYS 18 -3.302 -8.427 2.524 134 HD3 LYS 18 2HD LYS 18 -1.917 -9.467 2.169 135 HE2 LYS 18 1HE LYS 18 -1.496 -9.724 4.621 136 HE3 LYS 18 2HE LYS 18 -2.933 -8.749 4.957 137 HZ1 LYS 18 3HZ LYS 18 -4.263 -10.443 3.801 138 HZ2 LYS 18 1HZ LYS 18 -3.443 -11.117 5.039 139 HZ3 LYS 18 2HZ LYS 18 -2.932 -11.344 3.509 140 H TYR 19 H TYR 19 -2.569 -3.582 2.590 141 HA TYR 19 HA TYR 19 -3.569 -2.104 4.969 142 HB2 TYR 19 1HB TYR 19 -2.320 -0.900 2.470 143 HB3 TYR 19 2HB TYR 19 -3.411 0.002 3.511 144 HD1 TYR 19 1HD TYR 19 -2.833 0.560 5.839 145 HD2 TYR 19 2HD TYR 19 -0.017 -1.408 3.227 146 HE1 TYR 19 1HE TYR 19 -1.002 1.052 7.448 147 HE2 TYR 19 2HE TYR 19 1.813 -0.935 4.857 148 HH TYR 19 HH TYR 19 1.199 0.786 7.952 149 H SER 20 H SER 20 -5.603 -1.006 4.584 150 HA SER 20 HA SER 20 -7.408 -2.621 2.999 151 HB2 SER 20 1HB SER 20 -7.975 -0.082 4.568 152 HB3 SER 20 2HB SER 20 -9.156 -1.294 4.036 153 HG SER 20 HG SER 20 -8.535 -1.576 6.237 154 H ASP 21 H ASP 21 -5.659 0.190 2.183 155 HA ASP 21 HA ASP 21 -7.172 0.647 -0.283 156 HB2 ASP 21 1HB ASP 21 -7.658 2.978 0.170 157 HB3 ASP 21 2HB ASP 21 -8.428 1.983 1.396 158 H VAL 22 H VAL 22 -6.135 2.303 -1.663 159 HA VAL 22 HA VAL 22 -3.308 1.801 -1.808 160 HB VAL 22 HB VAL 22 -4.905 2.073 -3.712 161 HG11 VAL 22 1HG1 VAL 22 -6.005 4.199 -3.022 162 HG12 VAL 22 2HG1 VAL 22 -4.488 5.060 -3.384 163 HG13 VAL 22 3HG1 VAL 22 -5.369 4.225 -4.672 164 HG21 VAL 22 3HG2 VAL 22 -2.467 1.979 -4.033 165 HG22 VAL 22 1HG2 VAL 22 -3.268 2.997 -5.243 166 HG23 VAL 22 2HG2 VAL 22 -2.387 3.749 -3.900 167 H LYS 23 H LYS 23 -5.107 4.489 -0.393 168 HA LYS 23 HA LYS 23 -2.914 6.369 -0.749 169 HB2 LYS 23 1HB LYS 23 -5.401 6.596 1.010 170 HB3 LYS 23 2HB LYS 23 -4.295 7.908 0.626 171 HG2 LYS 23 1HG LYS 23 -6.044 6.422 -1.384 172 HG3 LYS 23 2HG LYS 23 -6.366 8.006 -0.685 173 HD2 LYS 23 1HD LYS 23 -4.292 8.906 -1.753 174 HD3 LYS 23 2HD LYS 23 -3.976 7.316 -2.453 175 HE2 LYS 23 1HE LYS 23 -4.957 8.618 -4.172 176 HE3 LYS 23 2HE LYS 23 -6.152 7.419 -3.672 177 HZ1 LYS 23 3HZ LYS 23 -7.260 9.171 -2.377 178 HZ2 LYS 23 1HZ LYS 23 -7.126 9.639 -3.932 179 HZ3 LYS 23 2HZ LYS 23 -6.127 10.270 -2.810 180 H ASN 24 H ASN 24 -4.187 4.511 2.021 181 HA ASN 24 HA ASN 24 -2.071 5.302 3.842 182 HB2 ASN 24 1HB ASN 24 -4.057 3.002 3.792 183 HB3 ASN 24 2HB ASN 24 -2.831 3.160 5.049 184 HD21 ASN 24 1HD2 ASN 24 -6.005 4.026 4.297 185 HD22 ASN 24 2HD2 ASN 24 -6.136 5.347 5.462 186 H LEU 25 H LEU 25 -2.258 2.719 1.379 187 HA LEU 25 HA LEU 25 0.257 1.501 2.041 188 HB2 LEU 25 1HB LEU 25 -1.335 0.369 0.625 189 HB3 LEU 25 2HB LEU 25 -1.343 1.695 -0.532 190 HG LEU 25 HG LEU 25 0.996 1.232 -1.155 191 HD11 LEU 25 1HD1 LEU 25 1.831 0.229 0.953 192 HD12 LEU 25 2HD1 LEU 25 2.066 -0.844 -0.420 193 HD13 LEU 25 3HD1 LEU 25 0.743 -1.161 0.725 194 HD21 LEU 25 3HD2 LEU 25 0.584 -0.824 -2.366 195 HD22 LEU 25 1HD2 LEU 25 -0.891 0.157 -2.355 196 HD23 LEU 25 2HD2 LEU 25 -0.746 -1.249 -1.271 197 H ILE 26 H ILE 26 -0.512 4.211 -0.250 198 HA ILE 26 HA ILE 26 2.221 4.682 -0.982 199 HB ILE 26 HB ILE 26 -0.241 6.452 -1.036 200 HG12 ILE 26 1HG1 ILE 26 1.386 5.229 -3.317 201 HG13 ILE 26 2HG1 ILE 26 0.042 4.382 -2.575 202 HG21 ILE 26 1HG2 ILE 26 2.553 7.073 -2.111 203 HG22 ILE 26 2HG2 ILE 26 1.092 8.009 -2.485 204 HG23 ILE 26 3HG2 ILE 26 1.692 7.970 -0.839 205 HD11 ILE 26 3HD1 ILE 26 -1.492 6.245 -3.193 206 HD12 ILE 26 1HD1 ILE 26 -0.149 7.035 -4.055 207 HD13 ILE 26 2HD1 ILE 26 -0.732 5.455 -4.588 208 H LYS 27 H LYS 27 0.265 6.102 1.691 209 HA LYS 27 HA LYS 27 2.340 7.749 2.782 210 HB2 LYS 27 1HB LYS 27 -0.023 6.337 4.083 211 HB3 LYS 27 2HB LYS 27 1.058 7.419 4.965 212 HG2 LYS 27 1HG LYS 27 0.508 9.291 3.511 213 HG3 LYS 27 2HG LYS 27 -0.501 8.264 2.485 214 HD2 LYS 27 1HD LYS 27 -2.008 7.811 4.413 215 HD3 LYS 27 2HD LYS 27 -0.997 8.854 5.437 216 HE2 LYS 27 1HE LYS 27 -1.449 10.768 3.905 217 HE3 LYS 27 2HE LYS 27 -2.478 9.727 2.913 218 HZ1 LYS 27 3HZ LYS 27 -3.932 9.437 4.858 219 HZ2 LYS 27 1HZ LYS 27 -3.794 11.022 4.490 220 HZ3 LYS 27 2HZ LYS 27 -2.981 10.410 5.764 221 H HIS 28 H HIS 28 1.622 4.283 3.486 222 HA HIS 28 HA HIS 28 3.771 3.848 5.302 223 HB2 HIS 28 1HB HIS 28 2.082 2.182 5.052 224 HB3 HIS 28 2HB HIS 28 2.355 2.024 3.326 225 HD1 HIS 28 1HD HIS 28 3.781 0.812 6.624 226 HD2 HIS 28 2HD HIS 28 4.466 0.565 2.492 227 HE1 HIS 28 1HE HIS 28 5.577 -0.959 6.330 228 H ILE 29 H ILE 29 3.762 3.512 1.704 229 HA ILE 29 HA ILE 29 6.496 2.749 1.492 230 HB ILE 29 HB ILE 29 4.608 4.067 -0.469 231 HG12 ILE 29 1HG1 ILE 29 5.697 1.218 -0.454 232 HG13 ILE 29 2HG1 ILE 29 4.217 1.658 0.383 233 HG21 ILE 29 1HG2 ILE 29 6.243 3.419 -2.262 234 HG22 ILE 29 2HG2 ILE 29 6.857 4.672 -1.204 235 HG23 ILE 29 3HG2 ILE 29 7.415 2.993 -0.997 236 HD11 ILE 29 3HD1 ILE 29 4.676 1.871 -2.614 237 HD12 ILE 29 1HD1 ILE 29 3.614 0.750 -1.753 238 HD13 ILE 29 2HD1 ILE 29 3.239 2.486 -1.762 239 H ARG 30 H ARG 30 5.075 6.055 1.330 240 HA ARG 30 HA ARG 30 7.671 7.329 0.985 241 HB2 ARG 30 1HB ARG 30 4.955 8.431 1.858 242 HB3 ARG 30 2HB ARG 30 6.387 9.407 1.559 243 HG2 ARG 30 1HG ARG 30 6.279 7.901 -0.772 244 HG3 ARG 30 2HG ARG 30 4.581 8.009 -0.379 245 HD2 ARG 30 1HD ARG 30 5.300 9.806 -1.925 246 HD3 ARG 30 2HD ARG 30 4.624 10.421 -0.418 247 HE ARG 30 HE ARG 30 6.572 11.568 -0.106 248 HH11 ARG 30 2HH1 ARG 30 7.594 8.813 -2.076 249 HH12 ARG 30 1HH1 ARG 30 9.285 9.139 -1.676 250 HH21 ARG 30 2HH2 ARG 30 8.783 11.885 0.169 251 HH22 ARG 30 1HH2 ARG 30 9.878 10.718 -0.566 252 H ASP 31 H ASP 31 5.874 6.489 3.925 253 HA ASP 31 HA ASP 31 7.694 8.017 5.618 254 HB2 ASP 31 1HB ASP 31 5.291 7.602 6.124 255 HB3 ASP 31 2HB ASP 31 5.662 5.891 6.367 256 H MET 32 H MET 32 7.492 4.599 4.623 257 HA MET 32 HA MET 32 9.688 3.870 6.490 258 HB2 MET 32 1HB MET 32 7.799 2.158 4.837 259 HB3 MET 32 2HB MET 32 9.005 1.550 5.957 260 HG2 MET 32 1HG MET 32 6.640 3.311 6.698 261 HG3 MET 32 2HG MET 32 6.739 1.576 6.931 262 HE1 MET 32 3HE MET 32 9.310 1.145 9.832 263 HE2 MET 32 1HE MET 32 8.190 0.343 8.710 264 HE3 MET 32 2HE MET 32 9.701 1.063 8.104 265 H HIS 33 H HIS 33 9.199 4.146 2.986 266 HA HIS 33 HA HIS 33 11.846 2.795 2.548 267 HB2 HIS 33 1HB HIS 33 9.386 2.609 0.787 268 HB3 HIS 33 2HB HIS 33 10.897 1.726 0.608 269 HD1 HIS 33 1HD HIS 33 11.335 0.425 3.378 270 HD2 HIS 33 2HD HIS 33 7.569 0.965 1.602 271 HE1 HIS 33 1HE HIS 33 9.796 -1.237 4.517 272 H ASP 34 H ASP 34 9.641 5.270 1.236 273 HA ASP 34 HA ASP 34 9.886 6.878 -0.350 274 HB2 ASP 34 1HB ASP 34 10.754 7.927 1.618 275 HB3 ASP 34 2HB ASP 34 12.372 7.321 1.295 276 HA PRO 35 HA PRO 35 12.701 4.637 -3.324 277 HB2 PRO 35 1HB PRO 35 10.825 4.039 -5.224 278 HB3 PRO 35 2HB PRO 35 11.146 3.004 -3.797 279 HG2 PRO 35 1HG PRO 35 8.968 5.101 -4.121 280 HG3 PRO 35 2HG PRO 35 8.793 3.412 -3.549 281 HD2 PRO 35 1HD PRO 35 9.005 5.489 -1.815 282 HD3 PRO 35 2HD PRO 35 9.782 3.916 -1.464 283 H GLN 36 H GLN 36 13.657 5.693 -5.025 284 HA GLN 36 HA GLN 36 12.431 8.043 -6.305 285 HB2 GLN 36 1HB GLN 36 15.062 8.106 -4.758 286 HB3 GLN 36 2HB GLN 36 14.518 9.368 -5.855 287 HG2 GLN 36 1HG GLN 36 13.118 8.545 -3.270 288 HG3 GLN 36 2HG GLN 36 14.149 9.945 -3.478 289 HE21 GLN 36 1HE2 GLN 36 11.386 10.004 -2.577 290 HE22 GLN 36 2HE2 GLN 36 10.538 10.984 -3.782 291 H ASP 37 H ASP 37 13.125 8.325 -8.311 292 HA ASP 37 HA ASP 37 15.476 6.923 -9.452 293 HB2 ASP 37 1HB ASP 37 13.614 5.332 -9.684 294 HB3 ASP 37 2HB ASP 37 12.636 6.558 -10.480 Start of MODEL 8 1 H1 GLY 1 1H GLY 1 -20.994 -2.691 9.545 2 H2 GLY 1 2H GLY 1 -21.370 -1.171 9.062 3 H3 GLY 1 3H GLY 1 -19.978 -1.450 9.876 4 HA2 GLY 1 1HA GLY 1 -19.097 -2.762 8.065 5 HA3 GLY 1 2HA GLY 1 -20.611 -2.482 7.186 6 H SER 2 H SER 2 -18.041 -1.806 6.201 7 HA SER 2 HA SER 2 -17.473 1.001 6.616 8 HB2 SER 2 1HB SER 2 -16.302 -0.906 4.572 9 HB3 SER 2 2HB SER 2 -15.632 0.656 5.090 10 HG SER 2 HG SER 2 -14.653 -1.126 6.178 11 H SER 3 H SER 3 -20.056 1.012 5.777 12 HA SER 3 HA SER 3 -20.540 1.166 2.982 13 HB2 SER 3 1HB SER 3 -22.035 2.514 5.262 14 HB3 SER 3 2HB SER 3 -22.641 2.263 3.613 15 HG SER 3 HG SER 3 -23.354 0.620 5.052 16 H GLY 4 H GLY 4 -19.625 2.529 1.596 17 HA2 GLY 4 1HA GLY 4 -18.982 4.486 0.560 18 HA3 GLY 4 2HA GLY 4 -19.723 5.419 1.861 19 H SER 5 H SER 5 -17.488 3.190 3.163 20 HA SER 5 HA SER 5 -15.253 5.175 3.181 21 HB2 SER 5 1HB SER 5 -14.960 4.756 5.569 22 HB3 SER 5 2HB SER 5 -16.558 5.423 5.209 23 HG SER 5 HG SER 5 -16.663 3.670 6.679 24 H SER 6 H SER 6 -15.947 2.103 2.207 25 HA SER 6 HA SER 6 -13.642 0.640 3.101 26 HB2 SER 6 1HB SER 6 -14.190 -0.875 1.202 27 HB3 SER 6 2HB SER 6 -15.548 -0.551 2.293 28 HG SER 6 HG SER 6 -16.155 -0.413 0.078 29 H GLY 7 H GLY 7 -11.728 0.133 2.055 30 HA2 GLY 7 1HA GLY 7 -10.635 2.277 0.294 31 HA3 GLY 7 2HA GLY 7 -9.733 1.236 1.378 32 H ILE 8 H ILE 8 -8.862 1.676 -1.140 33 HA ILE 8 HA ILE 8 -9.481 -0.693 -2.828 34 HB ILE 8 HB ILE 8 -7.452 1.528 -3.249 35 HG12 ILE 8 1HG1 ILE 8 -9.625 2.567 -3.246 36 HG13 ILE 8 2HG1 ILE 8 -9.009 2.487 -4.882 37 HG21 ILE 8 1HG2 ILE 8 -8.521 -0.622 -5.133 38 HG22 ILE 8 2HG2 ILE 8 -7.520 0.760 -5.628 39 HG23 ILE 8 3HG2 ILE 8 -6.861 -0.453 -4.533 40 HD11 ILE 8 3HD1 ILE 8 -11.152 0.656 -3.706 41 HD12 ILE 8 1HD1 ILE 8 -11.404 2.001 -4.828 42 HD13 ILE 8 2HD1 ILE 8 -10.523 0.564 -5.369 43 H LYS 9 H LYS 9 -8.845 -2.390 -1.484 44 HA LYS 9 HA LYS 9 -6.545 -2.455 0.099 45 HB2 LYS 9 1HB LYS 9 -6.933 -4.825 0.396 46 HB3 LYS 9 2HB LYS 9 -8.444 -3.919 0.452 47 HG2 LYS 9 1HG LYS 9 -8.924 -4.610 -1.915 48 HG3 LYS 9 2HG LYS 9 -7.427 -5.561 -1.917 49 HD2 LYS 9 1HD LYS 9 -8.290 -6.932 -0.039 50 HD3 LYS 9 2HD LYS 9 -9.791 -5.978 -0.036 51 HE2 LYS 9 1HE LYS 9 -10.223 -6.661 -2.390 52 HE3 LYS 9 2HE LYS 9 -8.734 -7.615 -2.388 53 HZ1 LYS 9 3HZ LYS 9 -10.674 -8.999 -1.924 54 HZ2 LYS 9 1HZ LYS 9 -11.074 -8.107 -0.619 55 HZ3 LYS 9 2HZ LYS 9 -9.698 -8.991 -0.618 56 H GLN 10 H GLN 10 -4.552 -3.276 0.051 57 HA GLN 10 HA GLN 10 -3.266 -4.237 -2.438 58 HB2 GLN 10 1HB GLN 10 -2.775 -1.506 -1.143 59 HB3 GLN 10 2HB GLN 10 -1.561 -2.292 -2.140 60 HG2 GLN 10 1HG GLN 10 -4.286 -1.459 -3.157 61 HG3 GLN 10 2HG GLN 10 -2.770 -0.607 -3.389 62 HE21 GLN 10 1HE2 GLN 10 -4.669 -3.379 -4.415 63 HE22 GLN 10 2HE2 GLN 10 -3.581 -3.845 -5.728 64 H HIS 11 H HIS 11 -0.766 -4.305 -1.991 65 HA HIS 11 HA HIS 11 -0.101 -4.682 0.851 66 HB2 HIS 11 1HB HIS 11 1.121 -6.711 0.505 67 HB3 HIS 11 2HB HIS 11 -0.535 -6.966 -0.027 68 HD1 HIS 11 1HD HIS 11 2.996 -6.394 -1.570 69 HD2 HIS 11 2HD HIS 11 -0.878 -7.747 -2.541 70 HE1 HIS 11 1HE HIS 11 3.154 -7.415 -3.898 71 H CYS 12 H CYS 12 2.096 -4.303 1.339 72 HA CYS 12 HA CYS 12 3.408 -2.314 -0.222 73 HB2 CYS 12 1HB CYS 12 3.586 -2.577 2.224 74 HB3 CYS 12 2HB CYS 12 4.490 -4.082 1.995 75 H ARG 13 H ARG 13 5.200 -2.324 -1.385 76 HA ARG 13 HA ARG 13 5.876 -4.840 -2.874 77 HB2 ARG 13 1HB ARG 13 5.902 -1.906 -3.669 78 HB3 ARG 13 2HB ARG 13 6.603 -3.186 -4.671 79 HG2 ARG 13 1HG ARG 13 4.506 -4.278 -4.987 80 HG3 ARG 13 2HG ARG 13 3.710 -3.341 -3.719 81 HD2 ARG 13 1HD ARG 13 3.862 -1.292 -5.034 82 HD3 ARG 13 2HD ARG 13 4.814 -2.120 -6.268 83 HE ARG 13 HE ARG 13 2.903 -2.967 -7.201 84 HH11 ARG 13 2HH1 ARG 13 1.900 -2.069 -3.929 85 HH12 ARG 13 1HH1 ARG 13 0.212 -2.164 -4.395 86 HH21 ARG 13 1HH2 ARG 13 0.704 -3.113 -7.586 87 HH22 ARG 13 2HH2 ARG 13 -0.407 -2.739 -6.280 88 H PHE 14 H PHE 14 7.063 -3.126 -0.388 89 HA PHE 14 HA PHE 14 9.914 -3.825 -1.010 90 HB2 PHE 14 1HB PHE 14 8.912 -1.543 0.700 91 HB3 PHE 14 2HB PHE 14 10.579 -1.879 0.273 92 HD1 PHE 14 2HD PHE 14 11.377 -1.509 -2.086 93 HD2 PHE 14 1HD PHE 14 7.406 -0.393 -0.823 94 HE1 PHE 14 2HE PHE 14 11.118 -0.109 -4.122 95 HE2 PHE 14 1HE PHE 14 7.153 1.007 -2.859 96 HZ PHE 14 HZ PHE 14 9.003 1.139 -4.517 97 H CYS 15 H CYS 15 7.353 -3.859 1.474 98 HA CYS 15 HA CYS 15 8.977 -5.834 2.975 99 HB2 CYS 15 1HB CYS 15 8.570 -4.873 5.071 100 HB3 CYS 15 2HB CYS 15 9.263 -3.642 4.032 101 H LYS 16 H LYS 16 6.378 -5.689 1.230 102 HA LYS 16 HA LYS 16 4.541 -6.948 0.893 103 HB2 LYS 16 1HB LYS 16 6.150 -8.957 2.484 104 HB3 LYS 16 2HB LYS 16 4.804 -9.331 1.403 105 HG2 LYS 16 1HG LYS 16 6.043 -8.305 -0.501 106 HG3 LYS 16 2HG LYS 16 7.435 -8.038 0.568 107 HD2 LYS 16 1HD LYS 16 7.584 -10.475 0.992 108 HD3 LYS 16 2HD LYS 16 6.193 -10.747 -0.083 109 HE2 LYS 16 1HE LYS 16 7.457 -9.726 -1.966 110 HE3 LYS 16 2HE LYS 16 8.841 -9.463 -0.899 111 HZ1 LYS 16 3HZ LYS 16 8.993 -11.883 -0.612 112 HZ2 LYS 16 1HZ LYS 16 9.098 -11.501 -2.194 113 HZ3 LYS 16 2HZ LYS 16 7.712 -12.124 -1.599 114 H LYS 17 H LYS 17 4.458 -5.492 3.670 115 HA LYS 17 HA LYS 17 2.445 -6.919 5.171 116 HB2 LYS 17 1HB LYS 17 3.092 -3.945 5.029 117 HB3 LYS 17 2HB LYS 17 2.014 -4.698 6.216 118 HG2 LYS 17 1HG LYS 17 3.846 -6.003 7.161 119 HG3 LYS 17 2HG LYS 17 4.940 -5.468 5.875 120 HD2 LYS 17 1HD LYS 17 4.667 -3.097 6.669 121 HD3 LYS 17 2HD LYS 17 3.679 -3.694 8.006 122 HE2 LYS 17 1HE LYS 17 5.976 -3.277 8.732 123 HE3 LYS 17 2HE LYS 17 5.576 -4.992 8.882 124 HZ1 LYS 17 3HZ LYS 17 6.838 -5.450 6.910 125 HZ2 LYS 17 1HZ LYS 17 7.798 -4.511 7.846 126 HZ3 LYS 17 2HZ LYS 17 7.026 -3.882 6.530 127 H LYS 18 H LYS 18 0.231 -6.791 5.166 128 HA LYS 18 HA LYS 18 -1.120 -5.952 2.700 129 HB2 LYS 18 1HB LYS 18 -1.632 -8.040 3.957 130 HB3 LYS 18 2HB LYS 18 -2.254 -7.063 5.295 131 HG2 LYS 18 1HG LYS 18 -3.986 -6.103 3.787 132 HG3 LYS 18 2HG LYS 18 -3.347 -7.042 2.433 133 HD2 LYS 18 1HD LYS 18 -4.534 -8.208 4.993 134 HD3 LYS 18 2HD LYS 18 -5.399 -8.009 3.463 135 HE2 LYS 18 1HE LYS 18 -3.761 -9.511 2.337 136 HE3 LYS 18 2HE LYS 18 -2.924 -9.747 3.876 137 HZ1 LYS 18 3HZ LYS 18 -4.489 -11.547 3.444 138 HZ2 LYS 18 1HZ LYS 18 -5.746 -10.512 3.344 139 HZ3 LYS 18 2HZ LYS 18 -4.971 -10.725 4.768 140 H TYR 19 H TYR 19 -2.484 -4.261 2.395 141 HA TYR 19 HA TYR 19 -2.927 -2.304 4.596 142 HB2 TYR 19 1HB TYR 19 -1.479 -1.899 2.013 143 HB3 TYR 19 2HB TYR 19 -2.625 -0.651 2.475 144 HD1 TYR 19 2HD TYR 19 0.418 -2.485 3.649 145 HD2 TYR 19 1HD TYR 19 -2.236 0.858 4.265 146 HE1 TYR 19 2HE TYR 19 1.907 -1.636 5.456 147 HE2 TYR 19 1HE TYR 19 -0.744 1.713 6.065 148 HH TYR 19 HH TYR 19 2.175 -0.088 7.114 149 H SER 20 H SER 20 -4.776 -1.216 4.640 150 HA SER 20 HA SER 20 -7.087 -2.418 3.460 151 HB2 SER 20 1HB SER 20 -8.257 -0.559 4.674 152 HB3 SER 20 2HB SER 20 -7.148 -1.504 5.681 153 HG SER 20 HG SER 20 -6.931 0.770 5.991 154 H ASP 21 H ASP 21 -5.162 0.346 2.489 155 HA ASP 21 HA ASP 21 -6.864 0.822 0.132 156 HB2 ASP 21 1HB ASP 21 -7.867 2.211 1.914 157 HB3 ASP 21 2HB ASP 21 -6.298 2.950 2.225 158 H VAL 22 H VAL 22 -5.761 1.764 -1.595 159 HA VAL 22 HA VAL 22 -2.948 1.560 -1.670 160 HB VAL 22 HB VAL 22 -4.439 1.390 -3.589 161 HG11 VAL 22 1HG1 VAL 22 -5.885 3.373 -3.249 162 HG12 VAL 22 2HG1 VAL 22 -4.513 4.413 -3.721 163 HG13 VAL 22 3HG1 VAL 22 -5.206 3.264 -4.877 164 HG21 VAL 22 3HG2 VAL 22 -1.992 1.671 -3.876 165 HG22 VAL 22 1HG2 VAL 22 -2.934 2.287 -5.245 166 HG23 VAL 22 2HG2 VAL 22 -2.242 3.418 -4.068 167 H LYS 23 H LYS 23 -4.914 4.446 -0.858 168 HA LYS 23 HA LYS 23 -2.596 6.166 -1.216 169 HB2 LYS 23 1HB LYS 23 -5.221 6.838 0.199 170 HB3 LYS 23 2HB LYS 23 -3.939 7.954 -0.209 171 HG2 LYS 23 1HG LYS 23 -5.347 8.392 -1.940 172 HG3 LYS 23 2HG LYS 23 -4.301 7.191 -2.683 173 HD2 LYS 23 1HD LYS 23 -6.565 6.704 -3.318 174 HD3 LYS 23 2HD LYS 23 -6.076 5.452 -2.182 175 HE2 LYS 23 1HE LYS 23 -7.206 6.830 -0.347 176 HE3 LYS 23 2HE LYS 23 -7.865 7.850 -1.635 177 HZ1 LYS 23 3HZ LYS 23 -8.892 5.783 -2.549 178 HZ2 LYS 23 1HZ LYS 23 -9.425 6.108 -1.038 179 HZ3 LYS 23 2HZ LYS 23 -8.318 4.930 -1.259 180 H ASN 24 H ASN 24 -4.241 4.569 1.466 181 HA ASN 24 HA ASN 24 -2.583 5.448 3.635 182 HB2 ASN 24 1HB ASN 24 -4.784 4.208 3.784 183 HB3 ASN 24 2HB ASN 24 -3.958 2.750 3.237 184 HD21 ASN 24 2HD2 ASN 24 -4.880 1.886 5.313 185 HD22 ASN 24 1HD2 ASN 24 -3.933 2.176 6.761 186 H LEU 25 H LEU 25 -2.204 2.698 1.324 187 HA LEU 25 HA LEU 25 0.308 1.840 2.351 188 HB2 LEU 25 1HB LEU 25 -1.071 0.422 0.921 189 HB3 LEU 25 2HB LEU 25 -0.916 1.560 -0.416 190 HG LEU 25 HG LEU 25 1.517 1.141 -0.523 191 HD11 LEU 25 1HD1 LEU 25 2.587 -0.616 0.709 192 HD12 LEU 25 2HD1 LEU 25 1.062 -1.106 1.483 193 HD13 LEU 25 3HD1 LEU 25 1.841 0.430 1.898 194 HD21 LEU 25 3HD2 LEU 25 -0.096 -1.416 -0.604 195 HD22 LEU 25 1HD2 LEU 25 1.414 -1.067 -1.477 196 HD23 LEU 25 2HD2 LEU 25 -0.061 -0.176 -1.887 197 H ILE 26 H ILE 26 -0.398 4.239 -0.275 198 HA ILE 26 HA ILE 26 2.338 4.747 -0.920 199 HB ILE 26 HB ILE 26 -0.178 6.407 -1.199 200 HG12 ILE 26 1HG1 ILE 26 1.625 5.166 -3.331 201 HG13 ILE 26 2HG1 ILE 26 0.321 4.259 -2.588 202 HG21 ILE 26 1HG2 ILE 26 1.140 7.941 -2.685 203 HG22 ILE 26 2HG2 ILE 26 1.639 8.046 -1.007 204 HG23 ILE 26 3HG2 ILE 26 2.629 7.126 -2.164 205 HD11 ILE 26 3HD1 ILE 26 -0.011 6.803 -4.229 206 HD12 ILE 26 1HD1 ILE 26 -0.456 5.153 -4.686 207 HD13 ILE 26 2HD1 ILE 26 -1.325 5.963 -3.369 208 H LYS 27 H LYS 27 0.287 6.212 1.633 209 HA LYS 27 HA LYS 27 2.314 7.975 2.680 210 HB2 LYS 27 1HB LYS 27 -0.094 6.638 3.977 211 HB3 LYS 27 2HB LYS 27 0.956 7.785 4.815 212 HG2 LYS 27 1HG LYS 27 0.427 9.555 3.228 213 HG3 LYS 27 2HG LYS 27 -0.465 8.443 2.199 214 HD2 LYS 27 1HD LYS 27 -2.042 9.772 3.471 215 HD3 LYS 27 2HD LYS 27 -2.148 8.082 3.944 216 HE2 LYS 27 1HE LYS 27 -2.323 9.406 5.929 217 HE3 LYS 27 2HE LYS 27 -0.771 8.571 5.978 218 HZ1 LYS 27 3HZ LYS 27 0.285 10.659 5.244 219 HZ2 LYS 27 1HZ LYS 27 -0.571 10.918 6.607 220 HZ3 LYS 27 2HZ LYS 27 -1.165 11.413 5.173 221 H HIS 28 H HIS 28 1.604 4.540 3.508 222 HA HIS 28 HA HIS 28 3.726 4.220 5.402 223 HB2 HIS 28 1HB HIS 28 2.120 2.518 5.312 224 HB3 HIS 28 2HB HIS 28 2.236 2.322 3.576 225 HD1 HIS 28 1HD HIS 28 4.325 1.477 6.711 226 HD2 HIS 28 2HD HIS 28 4.031 0.634 2.607 227 HE1 HIS 28 1HE HIS 28 5.967 -0.395 6.275 228 H ILE 29 H ILE 29 3.766 3.732 1.834 229 HA ILE 29 HA ILE 29 6.490 2.919 1.677 230 HB ILE 29 HB ILE 29 4.644 4.207 -0.361 231 HG12 ILE 29 1HG1 ILE 29 5.689 1.340 -0.189 232 HG13 ILE 29 2HG1 ILE 29 4.179 1.840 0.548 233 HG21 ILE 29 1HG2 ILE 29 6.287 3.506 -2.103 234 HG22 ILE 29 2HG2 ILE 29 6.956 4.727 -1.043 235 HG23 ILE 29 3HG2 ILE 29 7.419 3.020 -0.827 236 HD11 ILE 29 3HD1 ILE 29 4.795 1.900 -2.430 237 HD12 ILE 29 1HD1 ILE 29 3.695 0.817 -1.573 238 HD13 ILE 29 2HD1 ILE 29 3.316 2.550 -1.683 239 H ARG 30 H ARG 30 5.105 6.227 1.318 240 HA ARG 30 HA ARG 30 7.678 7.521 1.005 241 HB2 ARG 30 1HB ARG 30 4.929 8.536 1.853 242 HB3 ARG 30 2HB ARG 30 6.320 9.593 1.576 243 HG2 ARG 30 1HG ARG 30 6.487 8.907 -0.751 244 HG3 ARG 30 2HG ARG 30 5.201 7.706 -0.547 245 HD2 ARG 30 1HD ARG 30 3.595 9.495 0.007 246 HD3 ARG 30 2HD ARG 30 4.874 10.714 -0.204 247 HE ARG 30 HE ARG 30 4.804 9.220 -2.584 248 HH11 ARG 30 2HH1 ARG 30 2.598 11.376 -0.925 249 HH12 ARG 30 1HH1 ARG 30 1.794 11.837 -2.400 250 HH21 ARG 30 2HH2 ARG 30 3.740 9.856 -4.429 251 HH22 ARG 30 1HH2 ARG 30 2.434 10.999 -4.330 252 H ASP 31 H ASP 31 5.928 6.587 3.927 253 HA ASP 31 HA ASP 31 7.672 8.152 5.671 254 HB2 ASP 31 1HB ASP 31 5.308 7.669 6.191 255 HB3 ASP 31 2HB ASP 31 5.687 5.948 6.317 256 H MET 32 H MET 32 7.520 4.689 4.727 257 HA MET 32 HA MET 32 9.825 4.117 6.528 258 HB2 MET 32 1HB MET 32 7.828 2.216 5.252 259 HB3 MET 32 2HB MET 32 9.116 1.798 6.384 260 HG2 MET 32 1HG MET 32 8.001 3.567 7.960 261 HG3 MET 32 2HG MET 32 6.608 3.398 6.889 262 HE1 MET 32 3HE MET 32 8.267 0.187 9.794 263 HE2 MET 32 1HE MET 32 9.238 0.733 8.412 264 HE3 MET 32 2HE MET 32 8.801 1.879 9.701 265 H HIS 33 H HIS 33 9.222 4.264 3.089 266 HA HIS 33 HA HIS 33 11.777 2.765 2.578 267 HB2 HIS 33 1HB HIS 33 9.282 2.740 0.855 268 HB3 HIS 33 2HB HIS 33 10.744 1.789 0.631 269 HD1 HIS 33 1HD HIS 33 11.067 0.531 3.526 270 HD2 HIS 33 2HD HIS 33 7.466 0.982 1.418 271 HE1 HIS 33 1HE HIS 33 9.479 -1.189 4.502 272 H ASP 34 H ASP 34 9.620 5.306 1.351 273 HA ASP 34 HA ASP 34 9.844 6.930 -0.202 274 HB2 ASP 34 1HB ASP 34 10.734 7.819 1.902 275 HB3 ASP 34 2HB ASP 34 12.365 7.405 1.395 276 HA PRO 35 HA PRO 35 12.817 4.426 -2.819 277 HB2 PRO 35 1HB PRO 35 11.134 3.720 -4.874 278 HB3 PRO 35 2HB PRO 35 11.237 2.840 -3.319 279 HG2 PRO 35 1HG PRO 35 9.243 4.998 -4.098 280 HG3 PRO 35 2HG PRO 35 8.902 3.393 -3.380 281 HD2 PRO 35 1HD PRO 35 9.047 5.596 -1.832 282 HD3 PRO 35 2HD PRO 35 9.750 4.048 -1.271 283 H GLN 36 H GLN 36 14.181 5.404 -4.112 284 HA GLN 36 HA GLN 36 13.379 7.504 -6.047 285 HB2 GLN 36 1HB GLN 36 14.802 9.176 -4.990 286 HB3 GLN 36 2HB GLN 36 13.576 8.600 -3.872 287 HG2 GLN 36 1HG GLN 36 15.393 7.009 -2.921 288 HG3 GLN 36 2HG GLN 36 16.551 7.948 -3.865 289 HE21 GLN 36 1HE2 GLN 36 14.064 8.148 -1.287 290 HE22 GLN 36 2HE2 GLN 36 14.704 9.613 -0.555 291 H ASP 37 H ASP 37 14.916 4.765 -5.950 292 HA ASP 37 HA ASP 37 17.570 5.440 -7.018 293 HB2 ASP 37 1HB ASP 37 17.275 3.545 -5.497 294 HB3 ASP 37 2HB ASP 37 16.158 2.782 -6.623 Start of MODEL 9 1 H1 GLY 1 1H GLY 1 -20.359 -21.639 -1.864 2 H2 GLY 1 2H GLY 1 -18.945 -22.431 -2.100 3 H3 GLY 1 3H GLY 1 -19.847 -21.958 -3.385 4 HA2 GLY 1 1HA GLY 1 -18.511 -20.149 -1.478 5 HA3 GLY 1 2HA GLY 1 -17.945 -20.502 -3.120 6 H SER 2 H SER 2 -18.374 -17.904 -2.376 7 HA SER 2 HA SER 2 -20.975 -16.860 -2.936 8 HB2 SER 2 1HB SER 2 -18.269 -15.486 -3.137 9 HB3 SER 2 2HB SER 2 -19.849 -14.689 -3.029 10 HG SER 2 HG SER 2 -18.806 -14.833 -0.983 11 H SER 3 H SER 3 -21.776 -15.691 -4.718 12 HA SER 3 HA SER 3 -21.238 -16.787 -7.298 13 HB2 SER 3 1HB SER 3 -22.800 -14.274 -6.601 14 HB3 SER 3 2HB SER 3 -22.955 -15.241 -8.076 15 HG SER 3 HG SER 3 -23.731 -16.968 -6.818 16 H GLY 4 H GLY 4 -19.688 -14.147 -5.722 17 HA2 GLY 4 1HA GLY 4 -17.831 -13.724 -7.865 18 HA3 GLY 4 2HA GLY 4 -18.945 -12.357 -7.743 19 H SER 5 H SER 5 -16.291 -11.912 -7.342 20 HA SER 5 HA SER 5 -16.148 -11.005 -4.548 21 HB2 SER 5 1HB SER 5 -13.958 -12.042 -4.134 22 HB3 SER 5 2HB SER 5 -15.217 -13.260 -4.384 23 HG SER 5 HG SER 5 -13.300 -13.756 -5.544 24 H SER 6 H SER 6 -14.278 -9.636 -4.128 25 HA SER 6 HA SER 6 -12.938 -8.391 -6.479 26 HB2 SER 6 1HB SER 6 -14.318 -6.868 -4.230 27 HB3 SER 6 2HB SER 6 -13.226 -6.155 -5.425 28 HG SER 6 HG SER 6 -15.702 -7.465 -5.964 29 H GLY 7 H GLY 7 -10.870 -7.538 -6.027 30 HA2 GLY 7 1HA GLY 7 -9.370 -8.921 -4.016 31 HA3 GLY 7 2HA GLY 7 -8.780 -7.628 -5.062 32 H ILE 8 H ILE 8 -10.272 -5.498 -4.300 33 HA ILE 8 HA ILE 8 -10.362 -3.711 -2.971 34 HB ILE 8 HB ILE 8 -10.736 -5.664 -0.689 35 HG12 ILE 8 1HG1 ILE 8 -12.392 -6.169 -2.375 36 HG13 ILE 8 2HG1 ILE 8 -13.146 -5.370 -1.015 37 HG21 ILE 8 1HG2 ILE 8 -10.284 -3.465 0.200 38 HG22 ILE 8 2HG2 ILE 8 -11.418 -2.708 -0.935 39 HG23 ILE 8 3HG2 ILE 8 -12.012 -3.778 0.352 40 HD11 ILE 8 3HD1 ILE 8 -14.099 -4.564 -3.107 41 HD12 ILE 8 1HD1 ILE 8 -13.239 -3.235 -2.317 42 HD13 ILE 8 2HD1 ILE 8 -12.507 -4.076 -3.706 43 H LYS 9 H LYS 9 -8.280 -5.990 -1.150 44 HA LYS 9 HA LYS 9 -6.752 -3.823 0.061 45 HB2 LYS 9 1HB LYS 9 -6.290 -6.837 0.089 46 HB3 LYS 9 2HB LYS 9 -5.442 -5.648 1.088 47 HG2 LYS 9 1HG LYS 9 -7.667 -4.955 2.056 48 HG3 LYS 9 2HG LYS 9 -8.423 -6.289 1.176 49 HD2 LYS 9 1HD LYS 9 -7.006 -7.907 2.400 50 HD3 LYS 9 2HD LYS 9 -6.212 -6.563 3.261 51 HE2 LYS 9 1HE LYS 9 -8.404 -5.860 4.187 52 HE3 LYS 9 2HE LYS 9 -9.198 -7.193 3.340 53 HZ1 LYS 9 3HZ LYS 9 -7.862 -8.744 4.673 54 HZ2 LYS 9 1HZ LYS 9 -8.733 -7.771 5.648 55 HZ3 LYS 9 2HZ LYS 9 -7.136 -7.505 5.461 56 H GLN 10 H GLN 10 -4.495 -3.577 -0.019 57 HA GLN 10 HA GLN 10 -3.053 -4.393 -2.502 58 HB2 GLN 10 1HB GLN 10 -3.185 -1.581 -1.334 59 HB3 GLN 10 2HB GLN 10 -2.106 -2.090 -2.634 60 HG2 GLN 10 1HG GLN 10 -5.147 -2.142 -2.866 61 HG3 GLN 10 2HG GLN 10 -4.130 -0.802 -3.363 62 HE21 GLN 10 1HE2 GLN 10 -4.874 -4.250 -4.096 63 HE22 GLN 10 2HE2 GLN 10 -4.208 -4.158 -5.726 64 H HIS 11 H HIS 11 -0.652 -4.207 -2.237 65 HA HIS 11 HA HIS 11 0.213 -4.355 0.595 66 HB2 HIS 11 1HB HIS 11 1.356 -6.456 0.240 67 HB3 HIS 11 2HB HIS 11 -0.362 -6.627 -0.082 68 HD1 HIS 11 1HD HIS 11 -1.038 -7.215 -2.648 69 HD2 HIS 11 2HD HIS 11 3.065 -6.707 -1.853 70 HE1 HIS 11 1HE HIS 11 0.200 -8.073 -4.703 71 H CYS 12 H CYS 12 2.374 -4.178 1.055 72 HA CYS 12 HA CYS 12 3.827 -2.231 -0.465 73 HB2 CYS 12 1HB CYS 12 3.784 -2.371 1.979 74 HB3 CYS 12 2HB CYS 12 4.599 -3.947 1.914 75 H ARG 13 H ARG 13 5.466 -2.351 -1.784 76 HA ARG 13 HA ARG 13 6.270 -4.883 -3.039 77 HB2 ARG 13 1HB ARG 13 5.821 -2.756 -4.274 78 HB3 ARG 13 2HB ARG 13 7.222 -2.018 -3.491 79 HG2 ARG 13 1HG ARG 13 8.727 -3.610 -4.610 80 HG3 ARG 13 2HG ARG 13 7.332 -4.480 -5.289 81 HD2 ARG 13 1HD ARG 13 6.683 -2.435 -6.532 82 HD3 ARG 13 2HD ARG 13 8.087 -1.581 -5.852 83 HE ARG 13 HE ARG 13 9.063 -3.928 -7.085 84 HH11 ARG 13 2HH1 ARG 13 7.514 -0.979 -8.165 85 HH12 ARG 13 1HH1 ARG 13 8.251 -1.060 -9.743 86 HH21 ARG 13 2HH2 ARG 13 9.969 -3.972 -9.114 87 HH22 ARG 13 1HH2 ARG 13 9.606 -2.713 -10.257 88 H PHE 14 H PHE 14 7.443 -2.981 -0.423 89 HA PHE 14 HA PHE 14 10.235 -4.001 -0.726 90 HB2 PHE 14 1HB PHE 14 9.229 -1.689 0.929 91 HB3 PHE 14 2HB PHE 14 10.896 -2.070 0.540 92 HD1 PHE 14 2HD PHE 14 11.730 -1.768 -1.831 93 HD2 PHE 14 1HD PHE 14 7.804 -0.468 -0.608 94 HE1 PHE 14 2HE PHE 14 11.557 -0.358 -3.871 95 HE2 PHE 14 1HE PHE 14 7.637 0.944 -2.641 96 HZ PHE 14 HZ PHE 14 9.510 0.994 -4.281 97 H CYS 15 H CYS 15 7.547 -3.960 1.601 98 HA CYS 15 HA CYS 15 9.040 -5.932 3.242 99 HB2 CYS 15 1HB CYS 15 8.586 -4.850 5.285 100 HB3 CYS 15 2HB CYS 15 9.376 -3.700 4.218 101 H LYS 16 H LYS 16 6.492 -5.740 1.405 102 HA LYS 16 HA LYS 16 4.606 -6.925 1.081 103 HB2 LYS 16 1HB LYS 16 6.029 -8.926 2.850 104 HB3 LYS 16 2HB LYS 16 4.739 -9.284 1.696 105 HG2 LYS 16 1HG LYS 16 6.157 -8.385 -0.155 106 HG3 LYS 16 2HG LYS 16 7.491 -8.174 0.982 107 HD2 LYS 16 1HD LYS 16 6.146 -10.825 0.314 108 HD3 LYS 16 2HD LYS 16 7.678 -10.239 -0.355 109 HE2 LYS 16 1HE LYS 16 8.648 -10.164 1.942 110 HE3 LYS 16 2HE LYS 16 7.135 -10.805 2.595 111 HZ1 LYS 16 3HZ LYS 16 8.757 -12.572 2.239 112 HZ2 LYS 16 1HZ LYS 16 8.882 -12.220 0.651 113 HZ3 LYS 16 2HZ LYS 16 7.481 -12.811 1.251 114 H LYS 17 H LYS 17 4.526 -5.279 3.724 115 HA LYS 17 HA LYS 17 2.328 -6.441 5.219 116 HB2 LYS 17 1HB LYS 17 3.212 -3.545 4.886 117 HB3 LYS 17 2HB LYS 17 1.994 -4.123 6.038 118 HG2 LYS 17 1HG LYS 17 3.649 -5.461 7.227 119 HG3 LYS 17 2HG LYS 17 4.869 -5.125 5.989 120 HD2 LYS 17 1HD LYS 17 4.720 -2.676 6.561 121 HD3 LYS 17 2HD LYS 17 3.615 -3.088 7.873 122 HE2 LYS 17 1HE LYS 17 5.897 -2.765 8.703 123 HE3 LYS 17 2HE LYS 17 5.357 -4.423 8.979 124 HZ1 LYS 17 3HZ LYS 17 6.695 -5.159 7.150 125 HZ2 LYS 17 1HZ LYS 17 7.667 -4.195 8.045 126 HZ3 LYS 17 2HZ LYS 17 7.015 -3.657 6.629 127 H LYS 18 H LYS 18 0.136 -5.660 5.262 128 HA LYS 18 HA LYS 18 -0.937 -5.085 2.522 129 HB2 LYS 18 1HB LYS 18 -0.929 -7.480 3.339 130 HB3 LYS 18 2HB LYS 18 -2.074 -6.989 4.592 131 HG2 LYS 18 1HG LYS 18 -3.629 -6.192 2.748 132 HG3 LYS 18 2HG LYS 18 -2.489 -6.826 1.560 133 HD2 LYS 18 1HD LYS 18 -4.016 -8.396 3.680 134 HD3 LYS 18 2HD LYS 18 -4.373 -8.378 1.959 135 HE2 LYS 18 1HE LYS 18 -1.810 -9.481 3.206 136 HE3 LYS 18 2HE LYS 18 -3.215 -10.445 2.766 137 HZ1 LYS 18 3HZ LYS 18 -1.568 -8.893 0.842 138 HZ2 LYS 18 1HZ LYS 18 -2.900 -9.765 0.449 139 HZ3 LYS 18 2HZ LYS 18 -1.569 -10.512 1.015 140 H TYR 19 H TYR 19 -2.682 -3.818 2.295 141 HA TYR 19 HA TYR 19 -3.887 -2.468 4.674 142 HB2 TYR 19 1HB TYR 19 -2.714 -1.111 2.212 143 HB3 TYR 19 2HB TYR 19 -3.548 -0.305 3.532 144 HD1 TYR 19 2HD TYR 19 -0.442 -2.053 2.529 145 HD2 TYR 19 1HD TYR 19 -2.455 0.080 5.691 146 HE1 TYR 19 2HE TYR 19 1.701 -1.916 3.801 147 HE2 TYR 19 1HE TYR 19 -0.322 0.208 6.962 148 HH TYR 19 HH TYR 19 1.879 -0.406 7.046 149 H SER 20 H SER 20 -5.997 -1.800 4.430 150 HA SER 20 HA SER 20 -7.519 -2.815 2.144 151 HB2 SER 20 1HB SER 20 -8.450 -1.311 4.608 152 HB3 SER 20 2HB SER 20 -9.484 -2.151 3.434 153 HG SER 20 HG SER 20 -8.993 -3.407 5.330 154 H ASP 21 H ASP 21 -5.765 -0.088 2.330 155 HA ASP 21 HA ASP 21 -7.405 1.346 0.340 156 HB2 ASP 21 1HB ASP 21 -8.162 2.412 2.348 157 HB3 ASP 21 2HB ASP 21 -6.530 2.470 3.021 158 H VAL 22 H VAL 22 -6.203 2.337 -1.197 159 HA VAL 22 HA VAL 22 -3.413 1.654 -1.392 160 HB VAL 22 HB VAL 22 -5.059 1.817 -3.265 161 HG11 VAL 22 1HG1 VAL 22 -6.024 4.063 -2.770 162 HG12 VAL 22 2HG1 VAL 22 -4.482 4.798 -3.273 163 HG13 VAL 22 3HG1 VAL 22 -5.450 3.877 -4.434 164 HG21 VAL 22 3HG2 VAL 22 -2.458 3.321 -3.683 165 HG22 VAL 22 1HG2 VAL 22 -2.646 1.554 -3.645 166 HG23 VAL 22 2HG2 VAL 22 -3.422 2.499 -4.927 167 H LYS 23 H LYS 23 -5.055 4.651 -0.394 168 HA LYS 23 HA LYS 23 -2.699 6.264 -0.825 169 HB2 LYS 23 1HB LYS 23 -5.220 6.863 0.787 170 HB3 LYS 23 2HB LYS 23 -3.955 8.034 0.402 171 HG2 LYS 23 1HG LYS 23 -4.363 7.717 -2.018 172 HG3 LYS 23 2HG LYS 23 -5.645 6.541 -1.658 173 HD2 LYS 23 1HD LYS 23 -6.892 8.270 -0.401 174 HD3 LYS 23 2HD LYS 23 -5.661 9.473 -0.806 175 HE2 LYS 23 1HE LYS 23 -7.334 7.915 -2.837 176 HE3 LYS 23 2HE LYS 23 -7.742 9.524 -2.237 177 HZ1 LYS 23 3HZ LYS 23 -5.643 10.344 -3.168 178 HZ2 LYS 23 1HZ LYS 23 -6.567 9.679 -4.335 179 HZ3 LYS 23 2HZ LYS 23 -5.278 8.862 -3.760 180 H ASN 24 H ASN 24 -4.098 4.660 2.004 181 HA ASN 24 HA ASN 24 -2.091 5.413 3.927 182 HB2 ASN 24 1HB ASN 24 -4.047 3.098 3.674 183 HB3 ASN 24 2HB ASN 24 -2.835 3.122 4.952 184 HD21 ASN 24 1HD2 ASN 24 -5.579 5.029 3.624 185 HD22 ASN 24 2HD2 ASN 24 -5.908 5.823 5.168 186 H LEU 25 H LEU 25 -2.171 2.683 1.567 187 HA LEU 25 HA LEU 25 0.371 1.594 2.322 188 HB2 LEU 25 1HB LEU 25 -1.143 0.282 1.020 189 HB3 LEU 25 2HB LEU 25 -1.260 1.511 -0.232 190 HG LEU 25 HG LEU 25 1.084 1.129 -0.893 191 HD11 LEU 25 1HD1 LEU 25 2.350 -0.751 -0.065 192 HD12 LEU 25 2HD1 LEU 25 1.059 -1.219 1.053 193 HD13 LEU 25 3HD1 LEU 25 1.973 0.282 1.309 194 HD21 LEU 25 3HD2 LEU 25 0.742 -1.065 -1.909 195 HD22 LEU 25 1HD2 LEU 25 -0.742 -0.100 -1.976 196 HD23 LEU 25 2HD2 LEU 25 -0.583 -1.400 -0.769 197 H ILE 26 H ILE 26 -0.448 4.065 -0.195 198 HA ILE 26 HA ILE 26 2.246 4.511 -1.032 199 HB ILE 26 HB ILE 26 -0.238 6.246 -1.129 200 HG12 ILE 26 1HG1 ILE 26 1.329 4.862 -3.360 201 HG13 ILE 26 2HG1 ILE 26 0.009 4.074 -2.513 202 HG21 ILE 26 1HG2 ILE 26 1.002 7.717 -2.732 203 HG22 ILE 26 2HG2 ILE 26 1.665 7.806 -1.113 204 HG23 ILE 26 3HG2 ILE 26 2.498 6.840 -2.354 205 HD11 ILE 26 3HD1 ILE 26 -1.550 5.878 -3.237 206 HD12 ILE 26 1HD1 ILE 26 -0.234 6.591 -4.205 207 HD13 ILE 26 2HD1 ILE 26 -0.829 4.969 -4.581 208 H LYS 27 H LYS 27 0.375 6.134 1.592 209 HA LYS 27 HA LYS 27 2.531 7.837 2.418 210 HB2 LYS 27 1HB LYS 27 0.156 8.145 3.086 211 HB3 LYS 27 2HB LYS 27 0.237 6.676 4.077 212 HG2 LYS 27 1HG LYS 27 2.015 7.702 5.458 213 HG3 LYS 27 2HG LYS 27 1.966 9.167 4.457 214 HD2 LYS 27 1HD LYS 27 -0.404 9.515 5.147 215 HD3 LYS 27 2HD LYS 27 -0.314 8.082 6.182 216 HE2 LYS 27 1HE LYS 27 1.437 10.577 6.434 217 HE3 LYS 27 2HE LYS 27 0.003 10.245 7.409 218 HZ1 LYS 27 3HZ LYS 27 1.993 9.596 8.597 219 HZ2 LYS 27 1HZ LYS 27 2.500 8.607 7.405 220 HZ3 LYS 27 2HZ LYS 27 1.145 8.244 8.258 221 H HIS 28 H HIS 28 1.691 4.492 3.525 222 HA HIS 28 HA HIS 28 3.834 4.170 5.373 223 HB2 HIS 28 1HB HIS 28 2.215 2.455 5.345 224 HB3 HIS 28 2HB HIS 28 2.288 2.257 3.600 225 HD1 HIS 28 1HD HIS 28 4.510 1.479 6.670 226 HD2 HIS 28 2HD HIS 28 4.038 0.561 2.598 227 HE1 HIS 28 1HE HIS 28 6.203 -0.328 6.174 228 H ILE 29 H ILE 29 3.808 3.582 1.824 229 HA ILE 29 HA ILE 29 6.536 2.796 1.615 230 HB ILE 29 HB ILE 29 4.599 4.006 -0.381 231 HG12 ILE 29 1HG1 ILE 29 5.757 1.185 -0.235 232 HG13 ILE 29 2HG1 ILE 29 4.260 1.634 0.566 233 HG21 ILE 29 1HG2 ILE 29 6.221 3.327 -2.161 234 HG22 ILE 29 2HG2 ILE 29 6.819 4.627 -1.154 235 HG23 ILE 29 3HG2 ILE 29 7.415 2.964 -0.895 236 HD11 ILE 29 3HD1 ILE 29 3.278 2.309 -1.628 237 HD12 ILE 29 1HD1 ILE 29 4.744 1.705 -2.437 238 HD13 ILE 29 2HD1 ILE 29 3.716 0.592 -1.532 239 H ARG 30 H ARG 30 5.112 6.079 1.266 240 HA ARG 30 HA ARG 30 7.608 7.483 0.898 241 HB2 ARG 30 1HB ARG 30 4.941 8.354 2.110 242 HB3 ARG 30 2HB ARG 30 6.211 9.465 1.640 243 HG2 ARG 30 1HG ARG 30 5.227 7.598 -0.519 244 HG3 ARG 30 2HG ARG 30 4.091 8.803 0.083 245 HD2 ARG 30 1HD ARG 30 5.189 9.740 -1.803 246 HD3 ARG 30 2HD ARG 30 5.720 10.592 -0.360 247 HE ARG 30 HE ARG 30 7.901 9.731 -0.611 248 HH11 ARG 30 2HH1 ARG 30 5.894 8.222 -3.087 249 HH12 ARG 30 1HH1 ARG 30 7.300 7.702 -3.978 250 HH21 ARG 30 2HH2 ARG 30 9.547 9.036 -1.745 251 HH22 ARG 30 1HH2 ARG 30 9.340 8.147 -3.253 252 H ASP 31 H ASP 31 5.943 6.540 3.898 253 HA ASP 31 HA ASP 31 7.740 8.092 5.584 254 HB2 ASP 31 1HB ASP 31 5.635 5.974 6.154 255 HB3 ASP 31 2HB ASP 31 6.612 6.708 7.416 256 H MET 32 H MET 32 7.668 4.656 4.599 257 HA MET 32 HA MET 32 10.004 4.138 6.391 258 HB2 MET 32 1HB MET 32 7.999 2.192 5.201 259 HB3 MET 32 2HB MET 32 9.327 1.806 6.302 260 HG2 MET 32 1HG MET 32 8.267 3.551 7.905 261 HG3 MET 32 2HG MET 32 6.850 3.451 6.862 262 HE1 MET 32 3HE MET 32 8.431 0.130 9.683 263 HE2 MET 32 1HE MET 32 9.390 0.647 8.282 264 HE3 MET 32 2HE MET 32 9.044 1.795 9.596 265 H HIS 33 H HIS 33 9.308 4.231 2.972 266 HA HIS 33 HA HIS 33 11.918 2.851 2.408 267 HB2 HIS 33 1HB HIS 33 9.398 2.658 0.737 268 HB3 HIS 33 2HB HIS 33 10.888 1.746 0.542 269 HD1 HIS 33 1HD HIS 33 11.290 0.528 3.413 270 HD2 HIS 33 2HD HIS 33 7.600 0.974 1.470 271 HE1 HIS 33 1HE HIS 33 9.726 -1.144 4.510 272 H ASP 34 H ASP 34 9.624 5.307 1.325 273 HA ASP 34 HA ASP 34 9.691 6.999 -0.146 274 HB2 ASP 34 1HB ASP 34 10.773 7.778 1.921 275 HB3 ASP 34 2HB ASP 34 12.340 7.437 1.227 276 HA PRO 35 HA PRO 35 12.496 5.028 -3.359 277 HB2 PRO 35 1HB PRO 35 10.674 3.905 -5.028 278 HB3 PRO 35 2HB PRO 35 11.153 3.125 -3.488 279 HG2 PRO 35 1HG PRO 35 8.733 4.905 -3.989 280 HG3 PRO 35 2HG PRO 35 8.762 3.273 -3.247 281 HD2 PRO 35 1HD PRO 35 8.789 5.538 -1.731 282 HD3 PRO 35 2HD PRO 35 9.722 4.083 -1.262 283 H GLN 36 H GLN 36 12.844 5.654 -5.572 284 HA GLN 36 HA GLN 36 11.159 7.746 -6.770 285 HB2 GLN 36 1HB GLN 36 12.806 8.938 -5.340 286 HB3 GLN 36 2HB GLN 36 14.129 8.141 -6.205 287 HG2 GLN 36 1HG GLN 36 13.414 9.248 -8.313 288 HG3 GLN 36 2HG GLN 36 12.054 9.992 -7.469 289 HE21 GLN 36 1HE2 GLN 36 13.453 11.833 -8.690 290 HE22 GLN 36 2HE2 GLN 36 14.581 12.646 -7.613 291 H ASP 37 H ASP 37 11.078 7.569 -8.882 292 HA ASP 37 HA ASP 37 11.104 6.636 -10.943 293 HB2 ASP 37 1HB ASP 37 12.907 8.266 -11.065 294 HB3 ASP 37 2HB ASP 37 14.085 7.043 -10.605 Start of MODEL 10 1 H1 GLY 1 1H GLY 1 1.457 10.078 -10.967 2 H2 GLY 1 2H GLY 1 2.727 10.505 -11.907 3 H3 GLY 1 3H GLY 1 2.673 10.981 -10.341 4 HA2 GLY 1 1HA GLY 1 4.238 9.170 -10.595 5 HA3 GLY 1 2HA GLY 1 2.870 8.723 -9.558 6 H SER 2 H SER 2 4.645 6.981 -11.155 7 HA SER 2 HA SER 2 3.137 6.021 -13.455 8 HB2 SER 2 1HB SER 2 4.930 4.305 -13.532 9 HB3 SER 2 2HB SER 2 5.538 5.970 -13.493 10 HG SER 2 HG SER 2 6.667 4.587 -12.032 11 H SER 3 H SER 3 3.166 5.183 -10.061 12 HA SER 3 HA SER 3 1.909 2.544 -10.423 13 HB2 SER 3 1HB SER 3 2.383 4.213 -7.929 14 HB3 SER 3 2HB SER 3 1.745 2.559 -7.958 15 HG SER 3 HG SER 3 4.208 3.258 -9.198 16 H GLY 4 H GLY 4 -0.228 2.118 -10.507 17 HA2 GLY 4 1HA GLY 4 -2.352 3.434 -9.237 18 HA3 GLY 4 2HA GLY 4 -2.164 4.221 -10.805 19 H SER 5 H SER 5 -4.479 3.203 -10.525 20 HA SER 5 HA SER 5 -6.083 1.737 -11.083 21 HB2 SER 5 1HB SER 5 -6.123 1.058 -13.412 22 HB3 SER 5 2HB SER 5 -5.595 2.724 -13.185 23 HG SER 5 HG SER 5 -3.918 0.478 -13.717 24 H SER 6 H SER 6 -4.233 0.464 -9.345 25 HA SER 6 HA SER 6 -3.757 -2.257 -10.089 26 HB2 SER 6 1HB SER 6 -4.013 -1.046 -7.310 27 HB3 SER 6 2HB SER 6 -3.229 -2.579 -7.726 28 HG SER 6 HG SER 6 -1.704 -0.887 -7.515 29 H GLY 7 H GLY 7 -4.653 -4.176 -9.165 30 HA2 GLY 7 1HA GLY 7 -7.571 -4.290 -8.812 31 HA3 GLY 7 2HA GLY 7 -6.423 -5.626 -8.735 32 H ILE 8 H ILE 8 -7.486 -6.418 -6.838 33 HA ILE 8 HA ILE 8 -7.768 -4.856 -4.434 34 HB ILE 8 HB ILE 8 -8.434 -6.948 -3.369 35 HG12 ILE 8 1HG1 ILE 8 -7.754 -8.341 -6.002 36 HG13 ILE 8 2HG1 ILE 8 -6.796 -8.460 -4.525 37 HG21 ILE 8 1HG2 ILE 8 -9.698 -6.684 -6.127 38 HG22 ILE 8 2HG2 ILE 8 -10.453 -7.288 -4.640 39 HG23 ILE 8 3HG2 ILE 8 -10.003 -5.588 -4.761 40 HD11 ILE 8 3HD1 ILE 8 -8.184 -10.417 -4.707 41 HD12 ILE 8 1HD1 ILE 8 -8.769 -9.442 -3.344 42 HD13 ILE 8 2HD1 ILE 8 -9.652 -9.446 -4.893 43 H LYS 9 H LYS 9 -4.915 -5.758 -5.672 44 HA LYS 9 HA LYS 9 -3.584 -6.917 -3.343 45 HB2 LYS 9 1HB LYS 9 -2.542 -6.015 -6.057 46 HB3 LYS 9 2HB LYS 9 -1.566 -6.806 -4.812 47 HG2 LYS 9 1HG LYS 9 -3.066 -8.779 -4.865 48 HG3 LYS 9 2HG LYS 9 -4.007 -8.028 -6.170 49 HD2 LYS 9 1HD LYS 9 -1.972 -7.935 -7.587 50 HD3 LYS 9 2HD LYS 9 -1.030 -8.719 -6.313 51 HE2 LYS 9 1HE LYS 9 -3.474 -9.941 -7.682 52 HE3 LYS 9 2HE LYS 9 -1.806 -10.233 -8.178 53 HZ1 LYS 9 3HZ LYS 9 -2.934 -10.948 -5.523 54 HZ2 LYS 9 1HZ LYS 9 -1.377 -11.177 -5.970 55 HZ3 LYS 9 2HZ LYS 9 -2.572 -11.992 -6.720 56 H GLN 10 H GLN 10 -4.496 -4.872 -2.160 57 HA GLN 10 HA GLN 10 -2.590 -2.620 -2.107 58 HB2 GLN 10 1HB GLN 10 -5.041 -3.306 -0.467 59 HB3 GLN 10 2HB GLN 10 -3.916 -2.030 0.008 60 HG2 GLN 10 1HG GLN 10 -5.747 -1.028 -1.163 61 HG3 GLN 10 2HG GLN 10 -4.266 -0.832 -2.087 62 HE21 GLN 10 1HE2 GLN 10 -4.257 -1.593 -4.255 63 HE22 GLN 10 2HE2 GLN 10 -5.595 -2.526 -4.926 64 H HIS 11 H HIS 11 -0.756 -4.119 -1.954 65 HA HIS 11 HA HIS 11 0.039 -4.299 0.881 66 HB2 HIS 11 1HB HIS 11 1.087 -6.439 0.662 67 HB3 HIS 11 2HB HIS 11 -0.606 -6.595 0.221 68 HD1 HIS 11 1HD HIS 11 2.868 -6.393 -1.543 69 HD2 HIS 11 2HD HIS 11 -1.107 -7.676 -2.127 70 HE1 HIS 11 1HE HIS 11 2.846 -7.693 -3.733 71 H CYS 12 H CYS 12 2.234 -4.142 1.287 72 HA CYS 12 HA CYS 12 3.726 -2.302 -0.280 73 HB2 CYS 12 1HB CYS 12 3.811 -2.647 2.167 74 HB3 CYS 12 2HB CYS 12 4.590 -4.216 1.908 75 H ARG 13 H ARG 13 5.573 -2.526 -1.411 76 HA ARG 13 HA ARG 13 6.203 -5.179 -2.655 77 HB2 ARG 13 1HB ARG 13 6.856 -4.028 -4.686 78 HB3 ARG 13 2HB ARG 13 5.182 -3.704 -4.254 79 HG2 ARG 13 1HG ARG 13 5.898 -1.474 -3.306 80 HG3 ARG 13 2HG ARG 13 7.542 -1.800 -3.901 81 HD2 ARG 13 1HD ARG 13 6.711 -1.932 -6.205 82 HD3 ARG 13 2HD ARG 13 5.037 -1.795 -5.632 83 HE ARG 13 HE ARG 13 6.805 0.446 -4.907 84 HH11 ARG 13 2HH1 ARG 13 4.508 -0.676 -7.339 85 HH12 ARG 13 1HH1 ARG 13 4.161 0.974 -7.841 86 HH21 ARG 13 2HH2 ARG 13 6.240 2.506 -5.669 87 HH22 ARG 13 1HH2 ARG 13 5.057 2.621 -6.956 88 H PHE 14 H PHE 14 7.320 -3.295 -0.333 89 HA PHE 14 HA PHE 14 10.202 -3.954 -0.864 90 HB2 PHE 14 1HB PHE 14 9.086 -1.762 0.891 91 HB3 PHE 14 2HB PHE 14 10.770 -2.039 0.496 92 HD1 PHE 14 2HD PHE 14 11.588 -1.597 -1.867 93 HD2 PHE 14 1HD PHE 14 7.633 -0.495 -0.548 94 HE1 PHE 14 2HE PHE 14 11.395 -0.005 -3.765 95 HE2 PHE 14 1HE PHE 14 7.452 1.110 -2.434 96 HZ PHE 14 HZ PHE 14 9.335 1.359 -4.044 97 H CYS 15 H CYS 15 7.575 -4.034 1.544 98 HA CYS 15 HA CYS 15 9.102 -6.061 3.072 99 HB2 CYS 15 1HB CYS 15 8.744 -5.055 5.153 100 HB3 CYS 15 2HB CYS 15 9.453 -3.843 4.105 101 H LYS 16 H LYS 16 6.542 -5.792 1.299 102 HA LYS 16 HA LYS 16 4.650 -6.943 0.920 103 HB2 LYS 16 1HB LYS 16 6.052 -9.027 2.606 104 HB3 LYS 16 2HB LYS 16 4.757 -9.326 1.438 105 HG2 LYS 16 1HG LYS 16 6.187 -8.344 -0.371 106 HG3 LYS 16 2HG LYS 16 7.526 -8.229 0.779 107 HD2 LYS 16 1HD LYS 16 6.115 -10.801 -0.046 108 HD3 LYS 16 2HD LYS 16 7.668 -10.223 -0.668 109 HE2 LYS 16 1HE LYS 16 8.621 -10.310 1.634 110 HE3 LYS 16 2HE LYS 16 7.083 -10.939 2.241 111 HZ1 LYS 16 3HZ LYS 16 8.650 -12.735 1.794 112 HZ2 LYS 16 1HZ LYS 16 8.799 -12.297 0.230 113 HZ3 LYS 16 2HZ LYS 16 7.375 -12.876 0.787 114 H LYS 17 H LYS 17 4.577 -5.481 3.732 115 HA LYS 17 HA LYS 17 2.425 -6.828 5.118 116 HB2 LYS 17 1HB LYS 17 3.296 -3.914 5.185 117 HB3 LYS 17 2HB LYS 17 2.142 -4.674 6.298 118 HG2 LYS 17 1HG LYS 17 3.856 -6.152 7.192 119 HG3 LYS 17 2HG LYS 17 5.005 -5.651 5.944 120 HD2 LYS 17 1HD LYS 17 4.886 -3.294 6.864 121 HD3 LYS 17 2HD LYS 17 3.909 -3.922 8.195 122 HE2 LYS 17 1HE LYS 17 6.244 -3.704 8.871 123 HE3 LYS 17 2HE LYS 17 5.765 -5.403 8.883 124 HZ1 LYS 17 3HZ LYS 17 6.926 -5.730 6.816 125 HZ2 LYS 17 1HZ LYS 17 7.968 -4.948 7.806 126 HZ3 LYS 17 2HZ LYS 17 7.195 -4.147 6.589 127 H LYS 18 H LYS 18 0.261 -6.322 5.259 128 HA LYS 18 HA LYS 18 -1.017 -5.363 2.754 129 HB2 LYS 18 1HB LYS 18 -1.992 -6.880 5.192 130 HB3 LYS 18 2HB LYS 18 -3.066 -6.347 3.884 131 HG2 LYS 18 1HG LYS 18 -1.741 -7.656 2.243 132 HG3 LYS 18 2HG LYS 18 -0.685 -8.229 3.548 133 HD2 LYS 18 1HD LYS 18 -2.632 -9.290 4.664 134 HD3 LYS 18 2HD LYS 18 -3.690 -8.724 3.351 135 HE2 LYS 18 1HE LYS 18 -2.341 -10.018 1.712 136 HE3 LYS 18 2HE LYS 18 -1.283 -10.577 3.015 137 HZ1 LYS 18 3HZ LYS 18 -4.191 -11.169 2.812 138 HZ2 LYS 18 1HZ LYS 18 -3.213 -11.685 4.015 139 HZ3 LYS 18 2HZ LYS 18 -2.989 -12.225 2.493 140 H TYR 19 H TYR 19 -2.564 -3.819 2.620 141 HA TYR 19 HA TYR 19 -3.262 -2.157 4.985 142 HB2 TYR 19 1HB TYR 19 -1.987 -1.225 2.405 143 HB3 TYR 19 2HB TYR 19 -3.107 -0.177 3.257 144 HD1 TYR 19 1HD TYR 19 -2.630 0.754 5.451 145 HD2 TYR 19 2HD TYR 19 0.225 -1.793 3.450 146 HE1 TYR 19 1HE TYR 19 -0.896 1.395 7.114 147 HE2 TYR 19 2HE TYR 19 1.953 -1.161 5.128 148 HH TYR 19 HH TYR 19 1.232 1.073 7.851 149 H SER 20 H SER 20 -5.249 -1.061 4.844 150 HA SER 20 HA SER 20 -7.270 -2.489 3.313 151 HB2 SER 20 1HB SER 20 -7.567 -0.104 5.170 152 HB3 SER 20 2HB SER 20 -8.859 -1.182 4.611 153 HG SER 20 HG SER 20 -8.100 -1.759 6.701 154 H ASP 21 H ASP 21 -5.435 0.275 2.545 155 HA ASP 21 HA ASP 21 -7.264 1.136 0.391 156 HB2 ASP 21 1HB ASP 21 -8.086 2.405 2.291 157 HB3 ASP 21 2HB ASP 21 -6.449 2.860 2.762 158 H VAL 22 H VAL 22 -6.235 2.221 -1.289 159 HA VAL 22 HA VAL 22 -3.437 1.683 -1.601 160 HB VAL 22 HB VAL 22 -5.096 1.669 -3.401 161 HG11 VAL 22 1HG1 VAL 22 -4.904 4.695 -3.467 162 HG12 VAL 22 2HG1 VAL 22 -5.753 3.648 -4.615 163 HG13 VAL 22 3HG1 VAL 22 -6.331 3.757 -2.949 164 HG21 VAL 22 3HG2 VAL 22 -2.745 3.478 -4.020 165 HG22 VAL 22 1HG2 VAL 22 -2.673 1.708 -3.877 166 HG23 VAL 22 2HG2 VAL 22 -3.639 2.454 -5.159 167 H LYS 23 H LYS 23 -5.099 4.656 -0.544 168 HA LYS 23 HA LYS 23 -2.733 6.253 -1.136 169 HB2 LYS 23 1HB LYS 23 -5.137 7.073 0.558 170 HB3 LYS 23 2HB LYS 23 -3.853 8.107 -0.030 171 HG2 LYS 23 1HG LYS 23 -5.407 8.606 -1.609 172 HG3 LYS 23 2HG LYS 23 -4.593 7.280 -2.426 173 HD2 LYS 23 1HD LYS 23 -6.961 6.991 -2.710 174 HD3 LYS 23 2HD LYS 23 -6.434 5.741 -1.583 175 HE2 LYS 23 1HE LYS 23 -7.167 7.242 0.321 176 HE3 LYS 23 2HE LYS 23 -7.817 8.368 -0.883 177 HZ1 LYS 23 3HZ LYS 23 -8.647 5.543 -0.465 178 HZ2 LYS 23 1HZ LYS 23 -9.255 6.509 -1.653 179 HZ3 LYS 23 2HZ LYS 23 -9.533 6.861 -0.079 180 H ASN 24 H ASN 24 -4.223 4.714 1.684 181 HA ASN 24 HA ASN 24 -2.227 5.458 3.624 182 HB2 ASN 24 1HB ASN 24 -4.082 3.048 3.419 183 HB3 ASN 24 2HB ASN 24 -3.038 3.363 4.801 184 HD21 ASN 24 1HD2 ASN 24 -5.653 3.145 5.370 185 HD22 ASN 24 2HD2 ASN 24 -6.314 4.734 5.723 186 H LEU 25 H LEU 25 -2.326 2.706 1.299 187 HA LEU 25 HA LEU 25 0.184 1.580 2.056 188 HB2 LEU 25 1HB LEU 25 -1.457 0.403 0.682 189 HB3 LEU 25 2HB LEU 25 -1.316 1.614 -0.587 190 HG LEU 25 HG LEU 25 1.043 0.953 -0.993 191 HD11 LEU 25 1HD1 LEU 25 1.898 -1.121 -0.032 192 HD12 LEU 25 2HD1 LEU 25 0.459 -1.285 0.998 193 HD13 LEU 25 3HD1 LEU 25 1.616 0.046 1.250 194 HD21 LEU 25 3HD2 LEU 25 0.527 -1.182 -2.058 195 HD22 LEU 25 1HD2 LEU 25 -0.800 -0.034 -2.283 196 HD23 LEU 25 2HD2 LEU 25 -0.950 -1.330 -1.074 197 H ILE 26 H ILE 26 -0.553 4.152 -0.376 198 HA ILE 26 HA ILE 26 2.180 4.574 -1.153 199 HB ILE 26 HB ILE 26 -0.285 6.329 -1.253 200 HG12 ILE 26 1HG1 ILE 26 1.363 5.054 -3.490 201 HG13 ILE 26 2HG1 ILE 26 0.023 4.220 -2.723 202 HG21 ILE 26 1HG2 ILE 26 1.011 7.874 -2.733 203 HG22 ILE 26 2HG2 ILE 26 1.613 7.883 -1.086 204 HG23 ILE 26 3HG2 ILE 26 2.495 6.981 -2.340 205 HD11 ILE 26 3HD1 ILE 26 -0.765 5.198 -4.765 206 HD12 ILE 26 1HD1 ILE 26 -1.523 6.053 -3.408 207 HD13 ILE 26 2HD1 ILE 26 -0.182 6.805 -4.308 208 H LYS 27 H LYS 27 0.259 6.104 1.491 209 HA LYS 27 HA LYS 27 2.418 7.724 2.471 210 HB2 LYS 27 1HB LYS 27 -0.069 6.583 3.808 211 HB3 LYS 27 2HB LYS 27 1.054 7.665 4.639 212 HG2 LYS 27 1HG LYS 27 0.673 9.444 3.047 213 HG3 LYS 27 2HG LYS 27 -0.324 8.404 2.022 214 HD2 LYS 27 1HD LYS 27 -1.960 8.137 3.876 215 HD3 LYS 27 2HD LYS 27 -1.006 9.231 4.884 216 HE2 LYS 27 1HE LYS 27 -2.244 9.958 2.185 217 HE3 LYS 27 2HE LYS 27 -3.008 10.267 3.746 218 HZ1 LYS 27 3HZ LYS 27 -0.419 11.431 2.870 219 HZ2 LYS 27 1HZ LYS 27 -1.111 11.683 4.332 220 HZ3 LYS 27 2HZ LYS 27 -1.836 12.228 2.978 221 H HIS 28 H HIS 28 1.634 4.299 3.204 222 HA HIS 28 HA HIS 28 3.695 3.905 5.159 223 HB2 HIS 28 1HB HIS 28 2.043 2.221 4.868 224 HB3 HIS 28 2HB HIS 28 2.364 2.052 3.157 225 HD1 HIS 28 1HD HIS 28 3.659 0.832 6.487 226 HD2 HIS 28 2HD HIS 28 4.497 0.599 2.383 227 HE1 HIS 28 1HE HIS 28 5.405 -0.993 6.250 228 H ILE 29 H ILE 29 3.836 3.729 1.561 229 HA ILE 29 HA ILE 29 6.652 3.119 1.450 230 HB ILE 29 HB ILE 29 4.766 4.335 -0.585 231 HG12 ILE 29 1HG1 ILE 29 5.945 1.526 -0.473 232 HG13 ILE 29 2HG1 ILE 29 4.392 1.927 0.240 233 HG21 ILE 29 1HG2 ILE 29 7.085 5.009 -1.153 234 HG22 ILE 29 2HG2 ILE 29 7.606 3.317 -1.030 235 HG23 ILE 29 3HG2 ILE 29 6.476 3.827 -2.297 236 HD11 ILE 29 3HD1 ILE 29 3.541 2.672 -1.980 237 HD12 ILE 29 1HD1 ILE 29 5.062 2.111 -2.717 238 HD13 ILE 29 2HD1 ILE 29 3.989 0.959 -1.910 239 H ARG 30 H ARG 30 4.919 6.274 1.416 240 HA ARG 30 HA ARG 30 7.253 7.946 1.270 241 HB2 ARG 30 1HB ARG 30 4.576 8.441 2.655 242 HB3 ARG 30 2HB ARG 30 5.796 9.662 2.406 243 HG2 ARG 30 1HG ARG 30 4.215 8.241 0.233 244 HG3 ARG 30 2HG ARG 30 4.032 9.903 0.767 245 HD2 ARG 30 1HD ARG 30 6.424 8.698 -0.668 246 HD3 ARG 30 2HD ARG 30 5.206 9.788 -1.348 247 HE ARG 30 HE ARG 30 6.359 11.089 0.898 248 HH11 ARG 30 2HH1 ARG 30 7.391 10.228 -2.379 249 HH12 ARG 30 1HH1 ARG 30 8.585 11.535 -2.347 250 HH21 ARG 30 2HH2 ARG 30 8.017 12.625 0.749 251 HH22 ARG 30 1HH2 ARG 30 8.910 12.714 -0.761 252 H ASP 31 H ASP 31 5.819 6.348 4.086 253 HA ASP 31 HA ASP 31 7.558 7.793 5.942 254 HB2 ASP 31 1HB ASP 31 5.187 7.175 6.398 255 HB3 ASP 31 2HB ASP 31 5.659 5.475 6.425 256 H MET 32 H MET 32 7.509 4.504 4.572 257 HA MET 32 HA MET 32 9.846 3.723 6.259 258 HB2 MET 32 1HB MET 32 7.772 2.077 4.769 259 HB3 MET 32 2HB MET 32 9.104 1.410 5.698 260 HG2 MET 32 1HG MET 32 6.880 3.149 6.822 261 HG3 MET 32 2HG MET 32 6.963 1.400 6.932 262 HE1 MET 32 3HE MET 32 10.026 0.750 7.699 263 HE2 MET 32 1HE MET 32 9.851 0.735 9.464 264 HE3 MET 32 2HE MET 32 8.577 0.031 8.445 265 H HIS 33 H HIS 33 9.065 4.194 2.842 266 HA HIS 33 HA HIS 33 11.626 2.854 2.070 267 HB2 HIS 33 1HB HIS 33 8.994 2.524 0.615 268 HB3 HIS 33 2HB HIS 33 10.497 1.658 0.321 269 HD1 HIS 33 1HD HIS 33 11.218 0.337 2.970 270 HD2 HIS 33 2HD HIS 33 7.269 0.986 1.694 271 HE1 HIS 33 1HE HIS 33 9.800 -1.335 4.251 272 H ASP 34 H ASP 34 10.751 5.815 2.184 273 HA ASP 34 HA ASP 34 10.359 6.684 -0.474 274 HB2 ASP 34 1HB ASP 34 10.569 8.886 0.323 275 HB3 ASP 34 2HB ASP 34 9.803 7.957 1.598 276 HA PRO 35 HA PRO 35 14.494 6.659 -2.139 277 HB2 PRO 35 1HB PRO 35 14.205 8.117 -4.408 278 HB3 PRO 35 2HB PRO 35 13.309 6.598 -4.136 279 HG2 PRO 35 1HG PRO 35 12.318 9.426 -3.601 280 HG3 PRO 35 2HG PRO 35 11.528 8.154 -4.590 281 HD2 PRO 35 1HD PRO 35 10.861 8.533 -1.976 282 HD3 PRO 35 2HD PRO 35 10.945 6.898 -2.687 283 H GLN 36 H GLN 36 14.639 8.085 0.070 284 HA GLN 36 HA GLN 36 15.366 9.842 1.251 285 HB2 GLN 36 1HB GLN 36 17.610 10.633 0.803 286 HB3 GLN 36 2HB GLN 36 17.448 8.884 0.743 287 HG2 GLN 36 1HG GLN 36 17.582 8.891 -1.699 288 HG3 GLN 36 2HG GLN 36 17.608 10.656 -1.731 289 HE21 GLN 36 1HE2 GLN 36 19.633 9.832 -3.080 290 HE22 GLN 36 2HE2 GLN 36 21.121 9.765 -2.143 291 H ASP 37 H ASP 37 13.272 10.717 0.305 292 HA ASP 37 HA ASP 37 13.667 13.327 -1.129 293 HB2 ASP 37 1HB ASP 37 12.686 11.696 -2.587 294 HB3 ASP 37 2HB ASP 37 11.491 11.236 -1.378 Start of MODEL 11 1 H1 GLY 1 1H GLY 1 -11.807 0.080 1.970 2 H2 GLY 1 2H GLY 1 -11.059 -0.571 0.662 3 H3 GLY 1 3H GLY 1 -10.168 -0.049 1.936 4 HA2 GLY 1 1HA GLY 1 -11.101 -1.739 3.367 5 HA3 GLY 1 2HA GLY 1 -12.051 -2.320 1.983 6 H SER 2 H SER 2 -9.882 -3.610 3.661 7 HA SER 2 HA SER 2 -7.473 -3.863 2.193 8 HB2 SER 2 1HB SER 2 -8.736 -5.895 4.068 9 HB3 SER 2 2HB SER 2 -7.022 -5.778 3.622 10 HG SER 2 HG SER 2 -7.514 -4.786 5.659 11 H SER 3 H SER 3 -6.648 -5.408 0.820 12 HA SER 3 HA SER 3 -8.498 -6.646 -1.045 13 HB2 SER 3 1HB SER 3 -5.469 -6.736 -0.840 14 HB3 SER 3 2HB SER 3 -6.422 -7.346 -2.208 15 HG SER 3 HG SER 3 -7.138 -5.295 -2.641 16 H GLY 4 H GLY 4 -8.281 -8.861 -1.835 17 HA2 GLY 4 1HA GLY 4 -6.914 -10.963 -0.625 18 HA3 GLY 4 2HA GLY 4 -8.463 -10.896 0.220 19 H SER 5 H SER 5 -9.785 -9.980 -2.413 20 HA SER 5 HA SER 5 -10.525 -12.629 -3.298 21 HB2 SER 5 1HB SER 5 -12.288 -11.399 -4.546 22 HB3 SER 5 2HB SER 5 -12.218 -11.035 -2.820 23 HG SER 5 HG SER 5 -11.296 -9.431 -4.979 24 H SER 6 H SER 6 -7.900 -12.267 -4.067 25 HA SER 6 HA SER 6 -6.409 -12.459 -5.761 26 HB2 SER 6 1HB SER 6 -8.795 -13.393 -7.383 27 HB3 SER 6 2HB SER 6 -7.092 -13.678 -7.765 28 HG SER 6 HG SER 6 -8.046 -15.452 -6.660 29 H GLY 7 H GLY 7 -6.004 -12.003 -8.286 30 HA2 GLY 7 1HA GLY 7 -5.676 -10.386 -9.927 31 HA3 GLY 7 2HA GLY 7 -7.033 -9.466 -9.282 32 H ILE 8 H ILE 8 -5.855 -7.501 -9.512 33 HA ILE 8 HA ILE 8 -3.358 -6.987 -8.152 34 HB ILE 8 HB ILE 8 -3.851 -4.605 -8.487 35 HG12 ILE 8 1HG1 ILE 8 -6.448 -5.508 -9.818 36 HG13 ILE 8 2HG1 ILE 8 -6.331 -4.661 -8.272 37 HG21 ILE 8 1HG2 ILE 8 -4.294 -6.272 -11.001 38 HG22 ILE 8 2HG2 ILE 8 -3.549 -4.664 -10.892 39 HG23 ILE 8 3HG2 ILE 8 -2.729 -6.055 -10.189 40 HD11 ILE 8 3HD1 ILE 8 -6.915 -3.065 -9.962 41 HD12 ILE 8 1HD1 ILE 8 -5.255 -2.724 -9.432 42 HD13 ILE 8 2HD1 ILE 8 -5.554 -3.541 -10.988 43 H LYS 9 H LYS 9 -2.901 -6.129 -6.174 44 HA LYS 9 HA LYS 9 -5.059 -5.767 -4.189 45 HB2 LYS 9 1HB LYS 9 -4.101 -7.567 -2.730 46 HB3 LYS 9 2HB LYS 9 -4.924 -8.110 -4.189 47 HG2 LYS 9 1HG LYS 9 -2.642 -8.428 -5.269 48 HG3 LYS 9 2HG LYS 9 -1.922 -8.053 -3.689 49 HD2 LYS 9 1HD LYS 9 -3.153 -9.974 -2.688 50 HD3 LYS 9 2HD LYS 9 -3.969 -10.261 -4.225 51 HE2 LYS 9 1HE LYS 9 -2.237 -11.888 -3.992 52 HE3 LYS 9 2HE LYS 9 -1.815 -10.795 -5.313 53 HZ1 LYS 9 3HZ LYS 9 0.052 -11.298 -3.763 54 HZ2 LYS 9 1HZ LYS 9 -0.748 -10.539 -2.546 55 HZ3 LYS 9 2HZ LYS 9 -0.250 -9.696 -3.859 56 H GLN 10 H GLN 10 -4.542 -4.918 -2.264 57 HA GLN 10 HA GLN 10 -2.413 -2.942 -2.345 58 HB2 GLN 10 1HB GLN 10 -4.598 -3.608 -0.345 59 HB3 GLN 10 2HB GLN 10 -3.519 -2.222 -0.182 60 HG2 GLN 10 1HG GLN 10 -4.413 -1.106 -2.053 61 HG3 GLN 10 2HG GLN 10 -5.146 -2.556 -2.724 62 HE21 GLN 10 1HE2 GLN 10 -6.860 -3.639 -1.161 63 HE22 GLN 10 2HE2 GLN 10 -7.969 -2.489 -0.405 64 H HIS 11 H HIS 11 -0.466 -4.093 -2.185 65 HA HIS 11 HA HIS 11 0.259 -4.952 0.576 66 HB2 HIS 11 1HB HIS 11 1.166 -6.269 -2.011 67 HB3 HIS 11 2HB HIS 11 1.849 -6.581 -0.424 68 HD1 HIS 11 1HD HIS 11 -1.865 -6.559 -0.081 69 HD2 HIS 11 2HD HIS 11 1.216 -9.159 -1.263 70 HE1 HIS 11 1HE HIS 11 -2.885 -8.907 -0.133 71 H CYS 12 H CYS 12 2.308 -4.314 1.254 72 HA CYS 12 HA CYS 12 3.682 -2.159 -0.040 73 HB2 CYS 12 1HB CYS 12 3.724 -2.566 2.362 74 HB3 CYS 12 2HB CYS 12 4.596 -4.093 2.104 75 H ARG 13 H ARG 13 5.302 -2.066 -1.398 76 HA ARG 13 HA ARG 13 6.119 -4.361 -3.016 77 HB2 ARG 13 1HB ARG 13 5.701 -2.076 -3.903 78 HB3 ARG 13 2HB ARG 13 7.061 -1.459 -2.966 79 HG2 ARG 13 1HG ARG 13 8.611 -2.902 -4.281 80 HG3 ARG 13 2HG ARG 13 7.227 -3.533 -5.200 81 HD2 ARG 13 1HD ARG 13 6.732 -1.218 -5.977 82 HD3 ARG 13 2HD ARG 13 8.128 -0.611 -5.088 83 HE ARG 13 HE ARG 13 8.104 -2.034 -7.640 84 HH11 ARG 13 2HH1 ARG 13 10.211 -1.275 -4.936 85 HH12 ARG 13 1HH1 ARG 13 11.651 -1.515 -5.888 86 HH21 ARG 13 2HH2 ARG 13 9.980 -2.323 -8.776 87 HH22 ARG 13 1HH2 ARG 13 11.518 -2.089 -7.999 88 H PHE 14 H PHE 14 7.362 -2.847 -0.160 89 HA PHE 14 HA PHE 14 10.099 -3.983 -0.606 90 HB2 PHE 14 1HB PHE 14 9.190 -1.671 1.112 91 HB3 PHE 14 2HB PHE 14 10.850 -2.193 0.885 92 HD1 PHE 14 2HD PHE 14 12.022 -1.813 -1.274 93 HD2 PHE 14 1HD PHE 14 8.015 -0.369 -0.599 94 HE1 PHE 14 2HE PHE 14 12.247 -0.277 -3.212 95 HE2 PHE 14 1HE PHE 14 8.234 1.146 -2.557 96 HZ PHE 14 HZ PHE 14 10.353 1.207 -3.856 97 H CYS 15 H CYS 15 7.445 -3.960 1.758 98 HA CYS 15 HA CYS 15 8.913 -6.048 3.274 99 HB2 CYS 15 1HB CYS 15 8.466 -5.118 5.375 100 HB3 CYS 15 2HB CYS 15 9.250 -3.898 4.393 101 H LYS 16 H LYS 16 6.464 -5.807 1.387 102 HA LYS 16 HA LYS 16 4.645 -7.025 0.887 103 HB2 LYS 16 1HB LYS 16 6.002 -9.063 2.669 104 HB3 LYS 16 2HB LYS 16 4.783 -9.408 1.439 105 HG2 LYS 16 1HG LYS 16 6.276 -8.486 -0.320 106 HG3 LYS 16 2HG LYS 16 7.534 -8.205 0.901 107 HD2 LYS 16 1HD LYS 16 7.574 -10.622 1.430 108 HD3 LYS 16 2HD LYS 16 6.328 -10.913 0.195 109 HE2 LYS 16 1HE LYS 16 7.845 -9.993 -1.546 110 HE3 LYS 16 2HE LYS 16 9.083 -9.697 -0.317 111 HZ1 LYS 16 3HZ LYS 16 9.474 -11.792 -1.483 112 HZ2 LYS 16 1HZ LYS 16 8.015 -12.376 -1.047 113 HZ3 LYS 16 2HZ LYS 16 9.160 -12.102 0.087 114 H LYS 17 H LYS 17 4.416 -5.615 3.741 115 HA LYS 17 HA LYS 17 2.262 -6.988 5.051 116 HB2 LYS 17 1HB LYS 17 3.000 -4.031 5.025 117 HB3 LYS 17 2HB LYS 17 1.825 -4.777 6.123 118 HG2 LYS 17 1HG LYS 17 3.552 -6.161 7.146 119 HG3 LYS 17 2HG LYS 17 4.741 -5.635 5.945 120 HD2 LYS 17 1HD LYS 17 4.500 -3.276 6.779 121 HD3 LYS 17 2HD LYS 17 3.409 -3.866 8.036 122 HE2 LYS 17 1HE LYS 17 5.668 -3.555 8.918 123 HE3 LYS 17 2HE LYS 17 5.201 -5.257 8.993 124 HZ1 LYS 17 3HZ LYS 17 7.498 -4.837 8.116 125 HZ2 LYS 17 1HZ LYS 17 6.842 -4.130 6.777 126 HZ3 LYS 17 2HZ LYS 17 6.568 -5.701 7.082 127 H LYS 18 H LYS 18 0.080 -6.815 4.935 128 HA LYS 18 HA LYS 18 -1.212 -5.825 2.494 129 HB2 LYS 18 1HB LYS 18 -2.331 -6.936 5.101 130 HB3 LYS 18 2HB LYS 18 -3.295 -6.519 3.677 131 HG2 LYS 18 1HG LYS 18 -1.898 -8.190 2.353 132 HG3 LYS 18 2HG LYS 18 -1.150 -8.680 3.872 133 HD2 LYS 18 1HD LYS 18 -2.891 -10.251 3.359 134 HD3 LYS 18 2HD LYS 18 -3.420 -9.297 4.756 135 HE2 LYS 18 1HE LYS 18 -4.814 -7.879 3.257 136 HE3 LYS 18 2HE LYS 18 -4.234 -8.783 1.854 137 HZ1 LYS 18 3HZ LYS 18 -6.382 -9.574 2.541 138 HZ2 LYS 18 1HZ LYS 18 -5.872 -9.902 4.067 139 HZ3 LYS 18 2HZ LYS 18 -5.299 -10.773 2.804 140 H TYR 19 H TYR 19 -2.655 -4.117 2.299 141 HA TYR 19 HA TYR 19 -2.929 -2.250 4.604 142 HB2 TYR 19 1HB TYR 19 -1.631 -1.698 1.981 143 HB3 TYR 19 2HB TYR 19 -2.742 -0.469 2.574 144 HD1 TYR 19 1HD TYR 19 -2.398 0.714 4.657 145 HD2 TYR 19 2HD TYR 19 0.465 -2.207 3.287 146 HE1 TYR 19 1HE TYR 19 -0.835 1.414 6.457 147 HE2 TYR 19 2HE TYR 19 2.035 -1.502 5.098 148 HH TYR 19 HH TYR 19 1.129 0.982 7.526 149 H SER 20 H SER 20 -4.616 -0.821 4.632 150 HA SER 20 HA SER 20 -7.089 -2.060 3.739 151 HB2 SER 20 1HB SER 20 -8.073 -0.436 5.359 152 HB3 SER 20 2HB SER 20 -6.812 -1.470 6.049 153 HG SER 20 HG SER 20 -6.581 0.754 6.628 154 H ASP 21 H ASP 21 -5.285 0.698 2.685 155 HA ASP 21 HA ASP 21 -7.302 1.310 0.657 156 HB2 ASP 21 1HB ASP 21 -7.918 2.748 2.645 157 HB3 ASP 21 2HB ASP 21 -6.337 3.519 2.515 158 H VAL 22 H VAL 22 -6.337 2.275 -1.204 159 HA VAL 22 HA VAL 22 -3.592 1.787 -1.644 160 HB VAL 22 HB VAL 22 -5.356 1.988 -3.364 161 HG11 VAL 22 1HG1 VAL 22 -6.377 4.162 -2.694 162 HG12 VAL 22 2HG1 VAL 22 -4.924 4.987 -3.311 163 HG13 VAL 22 3HG1 VAL 22 -5.953 4.057 -4.409 164 HG21 VAL 22 3HG2 VAL 22 -2.966 1.872 -3.949 165 HG22 VAL 22 1HG2 VAL 22 -3.897 2.812 -5.125 166 HG23 VAL 22 2HG2 VAL 22 -2.880 3.646 -3.935 167 H LYS 23 H LYS 23 -5.199 4.781 -0.512 168 HA LYS 23 HA LYS 23 -2.806 6.357 -0.901 169 HB2 LYS 23 1HB LYS 23 -5.309 6.942 0.748 170 HB3 LYS 23 2HB LYS 23 -4.025 8.106 0.404 171 HG2 LYS 23 1HG LYS 23 -4.456 7.907 -2.026 172 HG3 LYS 23 2HG LYS 23 -5.754 6.739 -1.708 173 HD2 LYS 23 1HD LYS 23 -6.984 8.434 -0.399 174 HD3 LYS 23 2HD LYS 23 -5.700 9.621 -0.723 175 HE2 LYS 23 1HE LYS 23 -6.107 9.387 -3.165 176 HE3 LYS 23 2HE LYS 23 -7.383 8.206 -2.841 177 HZ1 LYS 23 3HZ LYS 23 -8.606 9.953 -1.657 178 HZ2 LYS 23 1HZ LYS 23 -8.302 10.427 -3.188 179 HZ3 LYS 23 2HZ LYS 23 -7.428 11.045 -1.957 180 H ASN 24 H ASN 24 -4.166 4.514 1.764 181 HA ASN 24 HA ASN 24 -2.294 5.333 3.815 182 HB2 ASN 24 1HB ASN 24 -4.576 4.264 4.142 183 HB3 ASN 24 2HB ASN 24 -3.892 2.742 3.572 184 HD21 ASN 24 1HD2 ASN 24 -4.720 2.020 5.756 185 HD22 ASN 24 2HD2 ASN 24 -3.652 2.293 7.120 186 H LEU 25 H LEU 25 -2.361 2.649 1.435 187 HA LEU 25 HA LEU 25 0.151 1.469 2.095 188 HB2 LEU 25 1HB LEU 25 -1.532 0.383 0.706 189 HB3 LEU 25 2HB LEU 25 -1.434 1.651 -0.497 190 HG LEU 25 HG LEU 25 0.833 0.990 -1.117 191 HD11 LEU 25 1HD1 LEU 25 0.519 -1.262 0.917 192 HD12 LEU 25 2HD1 LEU 25 1.660 0.097 1.048 193 HD13 LEU 25 3HD1 LEU 25 1.832 -1.065 -0.262 194 HD21 LEU 25 3HD2 LEU 25 -1.106 -0.065 -2.216 195 HD22 LEU 25 1HD2 LEU 25 -1.101 -1.354 -0.991 196 HD23 LEU 25 2HD2 LEU 25 0.266 -1.180 -2.119 197 H ILE 26 H ILE 26 -0.600 4.065 -0.318 198 HA ILE 26 HA ILE 26 2.130 4.486 -1.081 199 HB ILE 26 HB ILE 26 -0.340 6.232 -1.255 200 HG12 ILE 26 1HG1 ILE 26 1.302 4.838 -3.429 201 HG13 ILE 26 2HG1 ILE 26 -0.060 4.066 -2.637 202 HG21 ILE 26 1HG2 ILE 26 1.569 7.779 -1.167 203 HG22 ILE 26 2HG2 ILE 26 2.448 6.806 -2.370 204 HG23 ILE 26 3HG2 ILE 26 0.976 7.696 -2.813 205 HD11 ILE 26 3HD1 ILE 26 -0.195 6.574 -4.350 206 HD12 ILE 26 1HD1 ILE 26 -0.819 4.964 -4.725 207 HD13 ILE 26 2HD1 ILE 26 -1.560 5.908 -3.417 208 H LYS 27 H LYS 27 0.193 6.034 1.531 209 HA LYS 27 HA LYS 27 2.245 7.776 2.476 210 HB2 LYS 27 1HB LYS 27 -0.155 7.883 3.106 211 HB3 LYS 27 2HB LYS 27 0.031 6.408 4.066 212 HG2 LYS 27 1HG LYS 27 1.676 7.553 5.523 213 HG3 LYS 27 2HG LYS 27 1.554 9.014 4.523 214 HD2 LYS 27 1HD LYS 27 -0.852 9.207 5.106 215 HD3 LYS 27 2HD LYS 27 -0.726 7.742 6.105 216 HE2 LYS 27 1HE LYS 27 0.987 8.857 7.519 217 HE3 LYS 27 2HE LYS 27 0.870 10.314 6.523 218 HZ1 LYS 27 3HZ LYS 27 -0.492 10.499 8.523 219 HZ2 LYS 27 1HZ LYS 27 -1.353 9.170 8.134 220 HZ3 LYS 27 2HZ LYS 27 -1.461 10.517 7.212 221 H HIS 28 H HIS 28 1.582 4.359 3.399 222 HA HIS 28 HA HIS 28 3.731 4.060 5.242 223 HB2 HIS 28 1HB HIS 28 2.054 2.377 5.103 224 HB3 HIS 28 2HB HIS 28 2.312 2.116 3.386 225 HD1 HIS 28 1HD HIS 28 4.099 1.401 6.723 226 HD2 HIS 28 2HD HIS 28 4.176 0.400 2.642 227 HE1 HIS 28 1HE HIS 28 5.796 -0.459 6.510 228 H ILE 29 H ILE 29 3.740 3.539 1.673 229 HA ILE 29 HA ILE 29 6.506 2.811 1.524 230 HB ILE 29 HB ILE 29 4.607 3.950 -0.543 231 HG12 ILE 29 1HG1 ILE 29 5.662 1.096 -0.289 232 HG13 ILE 29 2HG1 ILE 29 4.191 1.613 0.516 233 HG21 ILE 29 1HG2 ILE 29 7.392 2.773 -0.946 234 HG22 ILE 29 2HG2 ILE 29 6.248 3.137 -2.253 235 HG23 ILE 29 3HG2 ILE 29 6.900 4.447 -1.285 236 HD11 ILE 29 3HD1 ILE 29 3.575 0.544 -1.540 237 HD12 ILE 29 1HD1 ILE 29 3.205 2.275 -1.682 238 HD13 ILE 29 2HD1 ILE 29 4.637 1.592 -2.491 239 H ARG 30 H ARG 30 4.949 6.026 1.168 240 HA ARG 30 HA ARG 30 7.442 7.442 0.743 241 HB2 ARG 30 1HB ARG 30 4.665 8.356 1.590 242 HB3 ARG 30 2HB ARG 30 6.014 9.459 1.291 243 HG2 ARG 30 1HG ARG 30 6.225 8.653 -1.031 244 HG3 ARG 30 2HG ARG 30 4.923 7.491 -0.772 245 HD2 ARG 30 1HD ARG 30 4.001 9.353 -1.935 246 HD3 ARG 30 2HD ARG 30 3.353 9.374 -0.302 247 HE ARG 30 HE ARG 30 5.464 11.189 -1.432 248 HH11 ARG 30 2HH1 ARG 30 3.102 10.694 1.119 249 HH12 ARG 30 1HH1 ARG 30 3.337 12.298 1.756 250 HH21 ARG 30 2HH2 ARG 30 5.697 13.206 -0.567 251 HH22 ARG 30 1HH2 ARG 30 4.762 13.676 0.821 252 H ASP 31 H ASP 31 5.914 6.370 3.702 253 HA ASP 31 HA ASP 31 7.600 8.099 5.379 254 HB2 ASP 31 1HB ASP 31 5.255 7.597 5.949 255 HB3 ASP 31 2HB ASP 31 5.661 5.886 6.117 256 H MET 32 H MET 32 7.476 4.589 4.595 257 HA MET 32 HA MET 32 9.877 4.141 6.310 258 HB2 MET 32 1HB MET 32 7.895 2.144 5.156 259 HB3 MET 32 2HB MET 32 9.238 1.797 6.250 260 HG2 MET 32 1HG MET 32 8.107 3.558 7.828 261 HG3 MET 32 2HG MET 32 6.688 3.311 6.807 262 HE1 MET 32 3HE MET 32 9.468 0.778 8.289 263 HE2 MET 32 1HE MET 32 9.029 1.932 9.571 264 HE3 MET 32 2HE MET 32 8.565 0.223 9.711 265 H HIS 33 H HIS 33 9.078 4.194 2.917 266 HA HIS 33 HA HIS 33 11.649 2.847 2.216 267 HB2 HIS 33 1HB HIS 33 9.027 2.374 0.778 268 HB3 HIS 33 2HB HIS 33 10.549 1.514 0.570 269 HD1 HIS 33 1HD HIS 33 11.225 0.359 3.315 270 HD2 HIS 33 2HD HIS 33 7.304 0.892 1.913 271 HE1 HIS 33 1HE HIS 33 9.789 -1.264 4.648 272 H ASP 34 H ASP 34 11.263 5.635 2.361 273 HA ASP 34 HA ASP 34 10.216 6.863 0.109 274 HB2 ASP 34 1HB ASP 34 11.282 8.892 0.878 275 HB3 ASP 34 2HB ASP 34 10.576 7.994 2.213 276 HA PRO 35 HA PRO 35 13.455 6.465 -3.004 277 HB2 PRO 35 1HB PRO 35 12.552 8.214 -4.889 278 HB3 PRO 35 2HB PRO 35 11.743 6.651 -4.555 279 HG2 PRO 35 1HG PRO 35 11.008 9.393 -3.473 280 HG3 PRO 35 2HG PRO 35 9.929 8.176 -4.229 281 HD2 PRO 35 1HD PRO 35 10.180 8.409 -1.521 282 HD3 PRO 35 2HD PRO 35 9.959 6.817 -2.305 283 H GLN 36 H GLN 36 15.344 7.549 -3.616 284 HA GLN 36 HA GLN 36 15.823 10.331 -2.781 285 HB2 GLN 36 1HB GLN 36 17.474 7.965 -1.785 286 HB3 GLN 36 2HB GLN 36 17.897 9.674 -1.606 287 HG2 GLN 36 1HG GLN 36 15.806 10.029 -0.273 288 HG3 GLN 36 2HG GLN 36 15.464 8.301 -0.390 289 HE21 GLN 36 1HE2 GLN 36 15.411 8.740 2.036 290 HE22 GLN 36 2HE2 GLN 36 16.948 8.493 2.887 291 H ASP 37 H ASP 37 17.288 11.314 -3.981 292 HA ASP 37 HA ASP 37 19.002 9.920 -5.969 293 HB2 ASP 37 1HB ASP 37 16.880 10.379 -7.123 294 HB3 ASP 37 2HB ASP 37 16.966 12.073 -6.658 Start of MODEL 12 1 H1 GLY 1 1H GLY 1 -17.878 -17.319 4.579 2 H2 GLY 1 2H GLY 1 -19.401 -16.850 4.200 3 H3 GLY 1 3H GLY 1 -18.131 -15.877 3.846 4 HA2 GLY 1 1HA GLY 1 -18.643 -18.518 2.641 5 HA3 GLY 1 2HA GLY 1 -18.938 -16.959 1.849 6 H SER 2 H SER 2 -17.214 -19.080 0.903 7 HA SER 2 HA SER 2 -14.431 -18.300 1.324 8 HB2 SER 2 1HB SER 2 -13.983 -20.029 -0.394 9 HB3 SER 2 2HB SER 2 -14.945 -20.617 0.970 10 HG SER 2 HG SER 2 -15.791 -21.306 -1.057 11 H SER 3 H SER 3 -12.978 -17.742 -0.446 12 HA SER 3 HA SER 3 -14.092 -16.378 -2.810 13 HB2 SER 3 1HB SER 3 -14.111 -14.607 -1.113 14 HB3 SER 3 2HB SER 3 -12.406 -14.920 -0.735 15 HG SER 3 HG SER 3 -12.830 -13.149 -2.241 16 H GLY 4 H GLY 4 -12.655 -16.178 -4.489 17 HA2 GLY 4 1HA GLY 4 -10.134 -17.715 -4.426 18 HA3 GLY 4 2HA GLY 4 -10.904 -16.971 -5.826 19 H SER 5 H SER 5 -10.903 -14.557 -3.581 20 HA SER 5 HA SER 5 -9.867 -12.568 -3.429 21 HB2 SER 5 1HB SER 5 -8.030 -14.070 -2.454 22 HB3 SER 5 2HB SER 5 -7.188 -13.842 -3.995 23 HG SER 5 HG SER 5 -7.935 -11.922 -2.035 24 H SER 6 H SER 6 -7.977 -11.171 -4.666 25 HA SER 6 HA SER 6 -8.236 -11.401 -7.597 26 HB2 SER 6 1HB SER 6 -10.249 -10.110 -6.747 27 HB3 SER 6 2HB SER 6 -9.121 -8.853 -6.200 28 HG SER 6 HG SER 6 -9.973 -8.487 -8.333 29 H GLY 7 H GLY 7 -6.889 -9.869 -8.745 30 HA2 GLY 7 1HA GLY 7 -4.214 -9.632 -7.613 31 HA3 GLY 7 2HA GLY 7 -4.740 -9.154 -9.225 32 H ILE 8 H ILE 8 -3.095 -7.489 -8.526 33 HA ILE 8 HA ILE 8 -2.405 -5.483 -7.839 34 HB ILE 8 HB ILE 8 -3.674 -3.575 -8.658 35 HG12 ILE 8 1HG1 ILE 8 -5.687 -3.940 -10.070 36 HG13 ILE 8 2HG1 ILE 8 -5.898 -5.538 -9.380 37 HG21 ILE 8 1HG2 ILE 8 -3.533 -4.221 -10.984 38 HG22 ILE 8 2HG2 ILE 8 -2.217 -4.977 -10.081 39 HG23 ILE 8 3HG2 ILE 8 -3.631 -5.940 -10.568 40 HD11 ILE 8 3HD1 ILE 8 -7.403 -3.831 -8.395 41 HD12 ILE 8 1HD1 ILE 8 -6.335 -4.497 -7.154 42 HD13 ILE 8 2HD1 ILE 8 -6.000 -2.893 -7.850 43 H LYS 9 H LYS 9 -3.567 -6.918 -5.631 44 HA LYS 9 HA LYS 9 -4.998 -5.181 -3.913 45 HB2 LYS 9 1HB LYS 9 -4.576 -6.800 -2.160 46 HB3 LYS 9 2HB LYS 9 -5.031 -7.583 -3.668 47 HG2 LYS 9 1HG LYS 9 -2.677 -8.234 -4.084 48 HG3 LYS 9 2HG LYS 9 -2.168 -7.301 -2.675 49 HD2 LYS 9 1HD LYS 9 -2.121 -9.453 -1.895 50 HD3 LYS 9 2HD LYS 9 -3.632 -8.853 -1.247 51 HE2 LYS 9 1HE LYS 9 -3.323 -10.638 -3.723 52 HE3 LYS 9 2HE LYS 9 -3.662 -11.208 -2.092 53 HZ1 LYS 9 3HZ LYS 9 -5.722 -9.719 -2.237 54 HZ2 LYS 9 1HZ LYS 9 -5.743 -11.105 -3.079 55 HZ3 LYS 9 2HZ LYS 9 -5.475 -9.721 -3.875 56 H GLN 10 H GLN 10 -4.392 -4.413 -1.823 57 HA GLN 10 HA GLN 10 -2.438 -2.338 -2.189 58 HB2 GLN 10 1HB GLN 10 -4.118 -2.805 0.290 59 HB3 GLN 10 2HB GLN 10 -3.402 -1.308 -0.281 60 HG2 GLN 10 1HG GLN 10 -5.645 -1.048 -0.793 61 HG3 GLN 10 2HG GLN 10 -4.958 -1.525 -2.340 62 HE21 GLN 10 1HE2 GLN 10 -7.523 -1.894 -2.481 63 HE22 GLN 10 2HE2 GLN 10 -8.020 -3.528 -2.073 64 H HIS 11 H HIS 11 -0.887 -4.520 -2.120 65 HA HIS 11 HA HIS 11 0.243 -4.857 0.572 66 HB2 HIS 11 1HB HIS 11 1.348 -6.763 -0.231 67 HB3 HIS 11 2HB HIS 11 -0.288 -6.840 -0.862 68 HD1 HIS 11 1HD HIS 11 -0.440 -6.101 -3.647 69 HD2 HIS 11 2HD HIS 11 3.312 -6.945 -1.926 70 HE1 HIS 11 1HE HIS 11 1.142 -6.584 -5.577 71 H CYS 12 H CYS 12 2.367 -4.422 1.127 72 HA CYS 12 HA CYS 12 3.803 -2.346 -0.324 73 HB2 CYS 12 1HB CYS 12 3.808 -2.520 2.129 74 HB3 CYS 12 2HB CYS 12 4.630 -4.098 2.008 75 H ARG 13 H ARG 13 5.115 -2.585 -1.927 76 HA ARG 13 HA ARG 13 5.883 -5.199 -3.016 77 HB2 ARG 13 1HB ARG 13 6.428 -2.302 -3.765 78 HB3 ARG 13 2HB ARG 13 7.287 -3.623 -4.545 79 HG2 ARG 13 1HG ARG 13 5.408 -2.921 -5.892 80 HG3 ARG 13 2HG ARG 13 5.238 -4.601 -5.387 81 HD2 ARG 13 1HD ARG 13 3.522 -4.021 -3.778 82 HD3 ARG 13 2HD ARG 13 3.782 -2.283 -4.051 83 HE ARG 13 HE ARG 13 3.187 -3.317 -6.561 84 HH11 ARG 13 2HH1 ARG 13 1.390 -3.258 -3.538 85 HH12 ARG 13 1HH1 ARG 13 -0.147 -3.325 -4.373 86 HH21 ARG 13 2HH2 ARG 13 1.196 -3.321 -7.523 87 HH22 ARG 13 1HH2 ARG 13 -0.241 -3.259 -6.546 88 H PHE 14 H PHE 14 7.240 -3.085 -0.659 89 HA PHE 14 HA PHE 14 10.004 -4.071 -1.096 90 HB2 PHE 14 1HB PHE 14 9.052 -1.814 0.677 91 HB3 PHE 14 2HB PHE 14 10.690 -2.133 0.137 92 HD1 PHE 14 2HD PHE 14 11.277 -1.819 -2.325 93 HD2 PHE 14 1HD PHE 14 7.496 -0.561 -0.672 94 HE1 PHE 14 2HE PHE 14 10.874 -0.389 -4.318 95 HE2 PHE 14 1HE PHE 14 7.100 0.867 -2.665 96 HZ PHE 14 HZ PHE 14 8.782 0.943 -4.496 97 H CYS 15 H CYS 15 7.498 -4.068 1.450 98 HA CYS 15 HA CYS 15 9.140 -6.034 2.949 99 HB2 CYS 15 1HB CYS 15 8.861 -4.998 5.028 100 HB3 CYS 15 2HB CYS 15 9.520 -3.817 3.912 101 H LYS 16 H LYS 16 6.513 -5.941 1.297 102 HA LYS 16 HA LYS 16 4.748 -7.279 1.008 103 HB2 LYS 16 1HB LYS 16 6.059 -9.255 2.856 104 HB3 LYS 16 2HB LYS 16 5.052 -9.568 1.450 105 HG2 LYS 16 1HG LYS 16 7.912 -8.537 1.483 106 HG3 LYS 16 2HG LYS 16 7.334 -10.105 0.941 107 HD2 LYS 16 1HD LYS 16 6.130 -8.998 -0.953 108 HD3 LYS 16 2HD LYS 16 6.787 -7.431 -0.429 109 HE2 LYS 16 1HE LYS 16 9.105 -8.381 -0.631 110 HE3 LYS 16 2HE LYS 16 8.405 -9.874 -1.267 111 HZ1 LYS 16 3HZ LYS 16 7.473 -8.520 -3.110 112 HZ2 LYS 16 1HZ LYS 16 9.103 -8.466 -3.077 113 HZ3 LYS 16 2HZ LYS 16 8.251 -7.187 -2.540 114 H LYS 17 H LYS 17 4.562 -5.593 3.581 115 HA LYS 17 HA LYS 17 2.382 -6.863 5.082 116 HB2 LYS 17 1HB LYS 17 3.347 -3.975 4.917 117 HB3 LYS 17 2HB LYS 17 2.140 -4.579 6.065 118 HG2 LYS 17 1HG LYS 17 3.760 -6.032 7.143 119 HG3 LYS 17 2HG LYS 17 4.961 -5.709 5.890 120 HD2 LYS 17 1HD LYS 17 4.916 -3.262 6.579 121 HD3 LYS 17 2HD LYS 17 3.907 -3.738 7.950 122 HE2 LYS 17 1HE LYS 17 6.234 -3.567 8.646 123 HE3 LYS 17 2HE LYS 17 5.704 -5.249 8.757 124 HZ1 LYS 17 3HZ LYS 17 6.873 -5.723 6.706 125 HZ2 LYS 17 1HZ LYS 17 7.928 -4.949 7.691 126 HZ3 LYS 17 2HZ LYS 17 7.218 -4.161 6.429 127 H LYS 18 H LYS 18 0.197 -5.654 5.225 128 HA LYS 18 HA LYS 18 -0.764 -4.748 2.543 129 HB2 LYS 18 1HB LYS 18 -1.250 -7.251 3.704 130 HB3 LYS 18 2HB LYS 18 -2.700 -6.363 4.100 131 HG2 LYS 18 1HG LYS 18 -1.507 -6.573 1.296 132 HG3 LYS 18 2HG LYS 18 -2.673 -7.715 1.942 133 HD2 LYS 18 1HD LYS 18 -3.250 -4.740 1.638 134 HD3 LYS 18 2HD LYS 18 -3.620 -5.945 0.408 135 HE2 LYS 18 1HE LYS 18 -5.131 -7.125 1.910 136 HE3 LYS 18 2HE LYS 18 -4.697 -6.059 3.254 137 HZ1 LYS 18 3HZ LYS 18 -6.001 -5.090 0.760 138 HZ2 LYS 18 1HZ LYS 18 -5.672 -4.204 2.086 139 HZ3 LYS 18 2HZ LYS 18 -6.793 -5.399 2.163 140 H TYR 19 H TYR 19 -2.141 -3.095 2.481 141 HA TYR 19 HA TYR 19 -3.047 -1.865 5.053 142 HB2 TYR 19 1HB TYR 19 -1.954 -0.695 2.499 143 HB3 TYR 19 2HB TYR 19 -3.002 0.265 3.533 144 HD1 TYR 19 1HD TYR 19 -2.362 0.968 5.761 145 HD2 TYR 19 2HD TYR 19 0.274 -1.476 3.371 146 HE1 TYR 19 1HE TYR 19 -0.558 1.284 7.437 147 HE2 TYR 19 2HE TYR 19 2.077 -1.170 5.061 148 HH TYR 19 HH TYR 19 1.550 0.720 8.079 149 H SER 20 H SER 20 -4.918 -0.395 4.900 150 HA SER 20 HA SER 20 -7.214 -1.908 4.058 151 HB2 SER 20 1HB SER 20 -8.441 0.054 5.029 152 HB3 SER 20 2HB SER 20 -7.258 -0.695 6.111 153 HG SER 20 HG SER 20 -7.031 1.527 6.202 154 H ASP 21 H ASP 21 -5.498 0.780 2.602 155 HA ASP 21 HA ASP 21 -7.136 0.639 0.172 156 HB2 ASP 21 1HB ASP 21 -8.275 2.303 1.736 157 HB3 ASP 21 2HB ASP 21 -6.812 3.284 1.657 158 H VAL 22 H VAL 22 -6.024 1.656 -1.670 159 HA VAL 22 HA VAL 22 -3.178 1.464 -1.611 160 HB VAL 22 HB VAL 22 -4.726 1.321 -3.606 161 HG11 VAL 22 1HG1 VAL 22 -4.356 4.324 -3.823 162 HG12 VAL 22 2HG1 VAL 22 -5.160 3.243 -4.971 163 HG13 VAL 22 3HG1 VAL 22 -5.884 3.515 -3.378 164 HG21 VAL 22 3HG2 VAL 22 -3.011 1.984 -5.181 165 HG22 VAL 22 1HG2 VAL 22 -2.243 3.021 -3.965 166 HG23 VAL 22 2HG2 VAL 22 -2.253 1.255 -3.755 167 H LYS 23 H LYS 23 -5.349 4.253 -1.103 168 HA LYS 23 HA LYS 23 -3.177 6.138 -1.176 169 HB2 LYS 23 1HB LYS 23 -5.966 6.427 0.034 170 HB3 LYS 23 2HB LYS 23 -4.849 7.756 -0.254 171 HG2 LYS 23 1HG LYS 23 -6.107 6.005 -2.411 172 HG3 LYS 23 2HG LYS 23 -6.599 7.635 -1.958 173 HD2 LYS 23 1HD LYS 23 -4.356 8.500 -2.676 174 HD3 LYS 23 2HD LYS 23 -3.896 6.859 -3.145 175 HE2 LYS 23 1HE LYS 23 -4.540 7.972 -5.137 176 HE3 LYS 23 2HE LYS 23 -5.794 6.790 -4.762 177 HZ1 LYS 23 3HZ LYS 23 -7.152 8.618 -3.877 178 HZ2 LYS 23 1HZ LYS 23 -6.727 8.945 -5.416 179 HZ3 LYS 23 2HZ LYS 23 -5.970 9.706 -4.189 180 H ASN 24 H ASN 24 -4.016 3.887 1.201 181 HA ASN 24 HA ASN 24 -2.504 5.330 3.341 182 HB2 ASN 24 1HB ASN 24 -4.187 2.793 3.392 183 HB3 ASN 24 2HB ASN 24 -3.254 3.400 4.759 184 HD21 ASN 24 1HD2 ASN 24 -6.112 3.018 4.775 185 HD22 ASN 24 2HD2 ASN 24 -6.799 4.621 5.004 186 H LEU 25 H LEU 25 -2.285 2.531 1.135 187 HA LEU 25 HA LEU 25 0.220 1.539 2.080 188 HB2 LEU 25 1HB LEU 25 -1.154 0.294 0.511 189 HB3 LEU 25 2HB LEU 25 -1.047 1.590 -0.685 190 HG LEU 25 HG LEU 25 1.416 1.195 -0.871 191 HD11 LEU 25 1HD1 LEU 25 2.349 -0.878 -0.002 192 HD12 LEU 25 2HD1 LEU 25 0.821 -1.274 0.816 193 HD13 LEU 25 3HD1 LEU 25 1.802 0.118 1.340 194 HD21 LEU 25 3HD2 LEU 25 -0.328 -1.216 -1.428 195 HD22 LEU 25 1HD2 LEU 25 1.228 -0.832 -2.195 196 HD23 LEU 25 2HD2 LEU 25 -0.169 0.219 -2.464 197 H ILE 26 H ILE 26 -0.456 4.165 -0.356 198 HA ILE 26 HA ILE 26 2.270 4.810 -0.794 199 HB ILE 26 HB ILE 26 -0.363 6.212 -1.158 200 HG12 ILE 26 1HG1 ILE 26 0.196 6.132 -3.476 201 HG13 ILE 26 2HG1 ILE 26 1.884 5.720 -3.145 202 HG21 ILE 26 1HG2 ILE 26 1.054 8.092 -0.508 203 HG22 ILE 26 2HG2 ILE 26 2.353 7.521 -1.591 204 HG23 ILE 26 3HG2 ILE 26 0.819 8.123 -2.256 205 HD11 ILE 26 3HD1 ILE 26 1.190 3.442 -2.468 206 HD12 ILE 26 1HD1 ILE 26 -0.494 3.887 -2.819 207 HD13 ILE 26 2HD1 ILE 26 0.698 3.850 -4.116 208 H LYS 27 H LYS 27 0.157 5.866 1.900 209 HA LYS 27 HA LYS 27 2.070 7.722 3.039 210 HB2 LYS 27 1HB LYS 27 -0.073 6.079 4.461 211 HB3 LYS 27 2HB LYS 27 0.841 7.406 5.163 212 HG2 LYS 27 1HG LYS 27 -0.151 8.988 3.543 213 HG3 LYS 27 2HG LYS 27 -1.066 7.663 2.816 214 HD2 LYS 27 1HD LYS 27 -2.115 7.235 5.109 215 HD3 LYS 27 2HD LYS 27 -1.268 8.672 5.685 216 HE2 LYS 27 1HE LYS 27 -3.435 9.430 5.222 217 HE3 LYS 27 2HE LYS 27 -2.470 9.990 3.852 218 HZ1 LYS 27 3HZ LYS 27 -4.556 8.986 3.119 219 HZ2 LYS 27 1HZ LYS 27 -4.223 7.573 3.875 220 HZ3 LYS 27 2HZ LYS 27 -3.319 8.045 2.596 221 H HIS 28 H HIS 28 1.614 4.199 3.431 222 HA HIS 28 HA HIS 28 3.728 3.841 5.356 223 HB2 HIS 28 1HB HIS 28 2.137 2.111 5.089 224 HB3 HIS 28 2HB HIS 28 2.386 1.990 3.359 225 HD1 HIS 28 1HD HIS 28 3.899 0.770 6.605 226 HD2 HIS 28 2HD HIS 28 4.511 0.622 2.457 227 HE1 HIS 28 1HE HIS 28 5.721 -0.958 6.246 228 H ILE 29 H ILE 29 3.779 3.589 1.743 229 HA ILE 29 HA ILE 29 6.545 2.958 1.568 230 HB ILE 29 HB ILE 29 4.757 4.369 -0.427 231 HG12 ILE 29 1HG1 ILE 29 5.676 1.461 -0.477 232 HG13 ILE 29 2HG1 ILE 29 4.191 1.948 0.322 233 HG21 ILE 29 1HG2 ILE 29 7.111 4.834 -1.010 234 HG22 ILE 29 2HG2 ILE 29 7.506 3.107 -0.870 235 HG23 ILE 29 3HG2 ILE 29 6.437 3.697 -2.156 236 HD11 ILE 29 3HD1 ILE 29 3.372 2.961 -1.816 237 HD12 ILE 29 1HD1 ILE 29 4.791 2.279 -2.640 238 HD13 ILE 29 2HD1 ILE 29 3.616 1.200 -1.881 239 H ARG 30 H ARG 30 5.000 6.217 1.406 240 HA ARG 30 HA ARG 30 7.487 7.591 1.019 241 HB2 ARG 30 1HB ARG 30 6.278 9.550 1.086 242 HB3 ARG 30 2HB ARG 30 5.120 8.356 0.489 243 HG2 ARG 30 1HG ARG 30 4.231 8.187 2.855 244 HG3 ARG 30 2HG ARG 30 5.268 9.563 3.281 245 HD2 ARG 30 1HD ARG 30 4.185 10.879 1.456 246 HD3 ARG 30 2HD ARG 30 3.096 9.508 1.155 247 HE ARG 30 HE ARG 30 3.006 10.273 3.934 248 HH11 ARG 30 2HH1 ARG 30 1.849 11.444 0.841 249 HH12 ARG 30 1HH1 ARG 30 0.535 12.330 1.565 250 HH21 ARG 30 2HH2 ARG 30 1.319 11.440 4.793 251 HH22 ARG 30 1HH2 ARG 30 0.257 12.330 3.746 252 H ASP 31 H ASP 31 6.015 6.479 3.955 253 HA ASP 31 HA ASP 31 7.793 8.108 5.663 254 HB2 ASP 31 1HB ASP 31 5.367 7.724 6.163 255 HB3 ASP 31 2HB ASP 31 5.732 6.018 6.434 256 H MET 32 H MET 32 7.451 4.673 4.721 257 HA MET 32 HA MET 32 9.630 3.885 6.570 258 HB2 MET 32 1HB MET 32 7.712 2.231 4.888 259 HB3 MET 32 2HB MET 32 8.895 1.583 6.011 260 HG2 MET 32 1HG MET 32 6.568 3.397 6.749 261 HG3 MET 32 2HG MET 32 6.634 1.658 6.982 262 HE1 MET 32 3HE MET 32 9.588 1.101 8.163 263 HE2 MET 32 1HE MET 32 9.191 1.184 9.889 264 HE3 MET 32 2HE MET 32 8.064 0.399 8.763 265 H HIS 33 H HIS 33 9.201 4.270 3.088 266 HA HIS 33 HA HIS 33 11.803 2.841 2.625 267 HB2 HIS 33 1HB HIS 33 9.336 2.801 0.858 268 HB3 HIS 33 2HB HIS 33 10.847 1.939 0.583 269 HD1 HIS 33 1HD HIS 33 11.322 0.482 3.288 270 HD2 HIS 33 2HD HIS 33 7.559 1.034 1.504 271 HE1 HIS 33 1HE HIS 33 9.825 -1.304 4.283 272 H ASP 34 H ASP 34 9.604 5.279 1.201 273 HA ASP 34 HA ASP 34 9.922 6.839 -0.427 274 HB2 ASP 34 1HB ASP 34 10.433 7.901 1.722 275 HB3 ASP 34 2HB ASP 34 12.146 7.578 1.490 276 HA PRO 35 HA PRO 35 13.460 4.482 -2.395 277 HB2 PRO 35 1HB PRO 35 12.204 3.492 -4.633 278 HB3 PRO 35 2HB PRO 35 12.130 2.720 -3.019 279 HG2 PRO 35 1HG PRO 35 10.110 4.621 -4.261 280 HG3 PRO 35 2HG PRO 35 9.802 3.035 -3.484 281 HD2 PRO 35 1HD PRO 35 9.492 5.335 -2.104 282 HD3 PRO 35 2HD PRO 35 10.224 3.901 -1.327 283 H GLN 36 H GLN 36 14.913 5.238 -3.790 284 HA GLN 36 HA GLN 36 14.246 6.960 -6.076 285 HB2 GLN 36 1HB GLN 36 14.334 8.533 -4.137 286 HB3 GLN 36 2HB GLN 36 15.987 8.012 -3.797 287 HG2 GLN 36 1HG GLN 36 16.720 8.880 -6.001 288 HG3 GLN 36 2HG GLN 36 15.051 9.308 -6.401 289 HE21 GLN 36 1HE2 GLN 36 17.741 10.050 -4.105 290 HE22 GLN 36 2HE2 GLN 36 17.167 11.677 -3.769 291 H ASP 37 H ASP 37 16.876 5.609 -4.034 292 HA ASP 37 HA ASP 37 18.324 4.627 -6.430 293 HB2 ASP 37 1HB ASP 37 19.284 6.835 -5.915 294 HB3 ASP 37 2HB ASP 37 19.545 6.357 -4.243 Start of MODEL 13 1 H1 GLY 1 1H GLY 1 -17.047 -19.302 -12.272 2 H2 GLY 1 2H GLY 1 -18.392 -19.896 -12.990 3 H3 GLY 1 3H GLY 1 -17.732 -20.682 -11.711 4 HA2 GLY 1 1HA GLY 1 -19.702 -19.511 -11.003 5 HA3 GLY 1 2HA GLY 1 -18.245 -18.853 -10.236 6 H SER 2 H SER 2 -19.679 -16.959 -9.926 7 HA SER 2 HA SER 2 -19.378 -14.994 -12.118 8 HB2 SER 2 1HB SER 2 -21.724 -14.249 -11.881 9 HB3 SER 2 2HB SER 2 -21.591 -15.891 -12.525 10 HG SER 2 HG SER 2 -23.199 -15.730 -10.891 11 H SER 3 H SER 3 -19.732 -12.819 -11.452 12 HA SER 3 HA SER 3 -19.312 -10.976 -10.287 13 HB2 SER 3 1HB SER 3 -20.581 -12.437 -7.960 14 HB3 SER 3 2HB SER 3 -20.314 -10.691 -8.081 15 HG SER 3 HG SER 3 -22.440 -11.299 -8.728 16 H GLY 4 H GLY 4 -17.922 -13.760 -8.587 17 HA2 GLY 4 1HA GLY 4 -15.811 -14.007 -7.661 18 HA3 GLY 4 2HA GLY 4 -15.400 -12.365 -8.141 19 H SER 5 H SER 5 -14.369 -13.007 -5.879 20 HA SER 5 HA SER 5 -15.952 -11.652 -3.738 21 HB2 SER 5 1HB SER 5 -15.218 -13.379 -2.143 22 HB3 SER 5 2HB SER 5 -16.214 -14.050 -3.442 23 HG SER 5 HG SER 5 -14.344 -15.328 -3.030 24 H SER 6 H SER 6 -13.185 -11.363 -5.478 25 HA SER 6 HA SER 6 -11.126 -11.127 -3.547 26 HB2 SER 6 1HB SER 6 -11.343 -9.743 -6.244 27 HB3 SER 6 2HB SER 6 -9.861 -10.000 -5.302 28 HG SER 6 HG SER 6 -10.144 -11.602 -6.929 29 H GLY 7 H GLY 7 -10.368 -9.525 -2.290 30 HA2 GLY 7 1HA GLY 7 -11.940 -7.076 -1.875 31 HA3 GLY 7 2HA GLY 7 -10.571 -7.635 -0.924 32 H ILE 8 H ILE 8 -10.850 -5.000 -1.553 33 HA ILE 8 HA ILE 8 -9.085 -4.303 -3.786 34 HB ILE 8 HB ILE 8 -11.159 -3.061 -3.236 35 HG12 ILE 8 1HG1 ILE 8 -10.392 -0.803 -3.550 36 HG13 ILE 8 2HG1 ILE 8 -8.759 -1.205 -3.050 37 HG21 ILE 8 1HG2 ILE 8 -11.028 -3.119 -0.757 38 HG22 ILE 8 2HG2 ILE 8 -9.643 -2.007 -0.809 39 HG23 ILE 8 3HG2 ILE 8 -11.237 -1.479 -1.371 40 HD11 ILE 8 3HD1 ILE 8 -9.031 -0.989 -5.521 41 HD12 ILE 8 1HD1 ILE 8 -8.449 -2.594 -5.060 42 HD13 ILE 8 2HD1 ILE 8 -10.158 -2.361 -5.506 43 H LYS 9 H LYS 9 -8.502 -5.268 -0.651 44 HA LYS 9 HA LYS 9 -6.580 -3.537 0.422 45 HB2 LYS 9 1HB LYS 9 -6.677 -6.573 0.669 46 HB3 LYS 9 2HB LYS 9 -5.806 -5.472 1.742 47 HG2 LYS 9 1HG LYS 9 -7.972 -4.410 2.393 48 HG3 LYS 9 2HG LYS 9 -8.833 -5.583 1.376 49 HD2 LYS 9 1HD LYS 9 -7.765 -7.437 2.706 50 HD3 LYS 9 2HD LYS 9 -7.100 -6.228 3.807 51 HE2 LYS 9 1HE LYS 9 -10.071 -6.657 3.216 52 HE3 LYS 9 2HE LYS 9 -9.213 -7.343 4.596 53 HZ1 LYS 9 3HZ LYS 9 -8.741 -5.071 5.356 54 HZ2 LYS 9 1HZ LYS 9 -10.347 -5.323 5.236 55 HZ3 LYS 9 2HZ LYS 9 -9.587 -4.439 4.100 56 H GLN 10 H GLN 10 -4.382 -3.441 0.491 57 HA GLN 10 HA GLN 10 -2.951 -4.443 -1.948 58 HB2 GLN 10 1HB GLN 10 -2.723 -1.785 -0.470 59 HB3 GLN 10 2HB GLN 10 -1.688 -2.290 -1.802 60 HG2 GLN 10 1HG GLN 10 -4.699 -1.834 -1.964 61 HG3 GLN 10 2HG GLN 10 -3.448 -0.762 -2.572 62 HE21 GLN 10 1HE2 GLN 10 -5.651 -2.958 -3.655 63 HE22 GLN 10 2HE2 GLN 10 -4.775 -3.517 -5.082 64 H HIS 11 H HIS 11 -0.895 -5.205 -1.779 65 HA HIS 11 HA HIS 11 0.331 -5.442 0.923 66 HB2 HIS 11 1HB HIS 11 1.757 -7.145 -0.058 67 HB3 HIS 11 2HB HIS 11 0.055 -7.541 -0.253 68 HD1 HIS 11 1HD HIS 11 -0.786 -7.875 -2.760 69 HD2 HIS 11 2HD HIS 11 3.105 -6.321 -2.353 70 HE1 HIS 11 1HE HIS 11 0.229 -7.861 -5.098 71 H CYS 12 H CYS 12 2.335 -4.530 1.381 72 HA CYS 12 HA CYS 12 3.245 -2.341 -0.124 73 HB2 CYS 12 1HB CYS 12 3.643 -2.513 2.234 74 HB3 CYS 12 2HB CYS 12 4.600 -3.990 2.023 75 H ARG 13 H ARG 13 4.754 -1.934 -1.539 76 HA ARG 13 HA ARG 13 5.560 -4.068 -3.367 77 HB2 ARG 13 1HB ARG 13 6.346 -1.126 -3.423 78 HB3 ARG 13 2HB ARG 13 6.425 -2.266 -4.757 79 HG2 ARG 13 1HG ARG 13 3.907 -1.161 -3.436 80 HG3 ARG 13 2HG ARG 13 4.564 -0.711 -4.996 81 HD2 ARG 13 1HD ARG 13 3.449 -2.314 -6.013 82 HD3 ARG 13 2HD ARG 13 4.232 -3.560 -5.063 83 HE ARG 13 HE ARG 13 2.468 -3.322 -3.343 84 HH11 ARG 13 2HH1 ARG 13 1.559 -2.070 -6.514 85 HH12 ARG 13 1HH1 ARG 13 -0.137 -2.199 -6.125 86 HH21 ARG 13 2HH2 ARG 13 0.416 -3.390 -2.958 87 HH22 ARG 13 1HH2 ARG 13 -0.798 -2.935 -4.163 88 H PHE 14 H PHE 14 6.978 -2.817 -0.570 89 HA PHE 14 HA PHE 14 9.708 -3.780 -1.372 90 HB2 PHE 14 1HB PHE 14 8.973 -1.590 0.578 91 HB3 PHE 14 2HB PHE 14 10.598 -2.085 0.143 92 HD1 PHE 14 2HD PHE 14 11.510 -1.590 -2.134 93 HD2 PHE 14 1HD PHE 14 7.648 -0.146 -0.873 94 HE1 PHE 14 2HE PHE 14 11.495 0.024 -4.024 95 HE2 PHE 14 1HE PHE 14 7.635 1.466 -2.767 96 HZ PHE 14 HZ PHE 14 9.553 1.541 -4.349 97 H CYS 15 H CYS 15 7.247 -3.897 1.209 98 HA CYS 15 HA CYS 15 8.816 -6.080 2.467 99 HB2 CYS 15 1HB CYS 15 8.653 -5.208 4.639 100 HB3 CYS 15 2HB CYS 15 9.368 -3.981 3.608 101 H LYS 16 H LYS 16 6.105 -5.702 0.945 102 HA LYS 16 HA LYS 16 4.151 -6.791 0.751 103 HB2 LYS 16 1HB LYS 16 5.624 -8.932 2.312 104 HB3 LYS 16 2HB LYS 16 4.198 -9.202 1.324 105 HG2 LYS 16 1HG LYS 16 6.866 -8.201 0.240 106 HG3 LYS 16 2HG LYS 16 6.316 -9.875 0.241 107 HD2 LYS 16 1HD LYS 16 4.379 -9.268 -1.198 108 HD3 LYS 16 2HD LYS 16 4.898 -7.583 -1.180 109 HE2 LYS 16 1HE LYS 16 5.620 -8.488 -3.246 110 HE3 LYS 16 2HE LYS 16 7.053 -8.223 -2.250 111 HZ1 LYS 16 3HZ LYS 16 7.058 -10.615 -1.753 112 HZ2 LYS 16 1HZ LYS 16 7.095 -10.391 -3.366 113 HZ3 LYS 16 2HZ LYS 16 5.707 -10.851 -2.646 114 H LYS 17 H LYS 17 4.531 -5.446 3.660 115 HA LYS 17 HA LYS 17 2.465 -6.626 5.243 116 HB2 LYS 17 1HB LYS 17 3.420 -3.739 5.123 117 HB3 LYS 17 2HB LYS 17 2.357 -4.418 6.370 118 HG2 LYS 17 1HG LYS 17 4.107 -5.955 7.115 119 HG3 LYS 17 2HG LYS 17 5.152 -5.467 5.772 120 HD2 LYS 17 1HD LYS 17 5.167 -3.118 6.690 121 HD3 LYS 17 2HD LYS 17 4.242 -3.696 8.079 122 HE2 LYS 17 1HE LYS 17 6.622 -3.523 8.614 123 HE3 LYS 17 2HE LYS 17 6.079 -5.199 8.725 124 HZ1 LYS 17 3HZ LYS 17 7.127 -5.674 6.641 125 HZ2 LYS 17 1HZ LYS 17 8.242 -4.850 7.511 126 HZ3 LYS 17 2HZ LYS 17 7.408 -4.114 6.292 127 H LYS 18 H LYS 18 0.341 -6.014 5.638 128 HA LYS 18 HA LYS 18 -1.142 -5.388 3.166 129 HB2 LYS 18 1HB LYS 18 -1.908 -6.562 5.852 130 HB3 LYS 18 2HB LYS 18 -3.082 -6.238 4.560 131 HG2 LYS 18 1HG LYS 18 -1.825 -7.732 3.026 132 HG3 LYS 18 2HG LYS 18 -0.668 -8.093 4.320 133 HD2 LYS 18 1HD LYS 18 -2.506 -9.034 5.703 134 HD3 LYS 18 2HD LYS 18 -3.660 -8.689 4.395 135 HE2 LYS 18 1HE LYS 18 -2.369 -10.164 2.869 136 HE3 LYS 18 2HE LYS 18 -1.209 -10.498 4.161 137 HZ1 LYS 18 3HZ LYS 18 -4.096 -11.207 4.244 138 HZ2 LYS 18 1HZ LYS 18 -3.022 -11.515 5.438 139 HZ3 LYS 18 2HZ LYS 18 -2.872 -12.258 3.993 140 H TYR 19 H TYR 19 -2.411 -3.747 2.778 141 HA TYR 19 HA TYR 19 -3.251 -1.846 4.911 142 HB2 TYR 19 1HB TYR 19 -1.879 -1.183 2.284 143 HB3 TYR 19 2HB TYR 19 -2.819 -0.003 3.193 144 HD1 TYR 19 1HD TYR 19 -2.164 0.696 5.477 145 HD2 TYR 19 2HD TYR 19 0.337 -1.892 3.091 146 HE1 TYR 19 1HE TYR 19 -0.299 0.994 7.104 147 HE2 TYR 19 2HE TYR 19 2.200 -1.582 4.714 148 HH TYR 19 HH TYR 19 2.830 -0.686 6.730 149 H SER 20 H SER 20 -5.175 -0.731 4.547 150 HA SER 20 HA SER 20 -7.184 -2.327 3.264 151 HB2 SER 20 1HB SER 20 -8.694 -0.521 4.168 152 HB3 SER 20 2HB SER 20 -7.634 -1.291 5.361 153 HG SER 20 HG SER 20 -7.622 0.970 5.590 154 H ASP 21 H ASP 21 -5.454 0.484 2.171 155 HA ASP 21 HA ASP 21 -6.891 0.527 -0.397 156 HB2 ASP 21 1HB ASP 21 -8.182 2.069 1.102 157 HB3 ASP 21 2HB ASP 21 -6.705 2.980 1.412 158 H VAL 22 H VAL 22 -5.667 1.683 -2.056 159 HA VAL 22 HA VAL 22 -2.854 1.365 -1.847 160 HB VAL 22 HB VAL 22 -4.207 1.447 -3.958 161 HG11 VAL 22 1HG1 VAL 22 -5.381 3.634 -3.573 162 HG12 VAL 22 2HG1 VAL 22 -3.824 4.457 -3.852 163 HG13 VAL 22 3HG1 VAL 22 -4.567 3.500 -5.141 164 HG21 VAL 22 3HG2 VAL 22 -1.736 1.395 -3.931 165 HG22 VAL 22 1HG2 VAL 22 -2.369 2.306 -5.313 166 HG23 VAL 22 2HG2 VAL 22 -1.705 3.172 -3.912 167 H LYS 23 H LYS 23 -4.839 4.285 -1.165 168 HA LYS 23 HA LYS 23 -2.501 5.979 -1.163 169 HB2 LYS 23 1HB LYS 23 -5.285 6.433 0.011 170 HB3 LYS 23 2HB LYS 23 -4.033 7.674 -0.110 171 HG2 LYS 23 1HG LYS 23 -3.986 7.425 -2.574 172 HG3 LYS 23 2HG LYS 23 -5.250 6.186 -2.482 173 HD2 LYS 23 1HD LYS 23 -6.801 7.822 -1.464 174 HD3 LYS 23 2HD LYS 23 -5.544 9.077 -1.564 175 HE2 LYS 23 1HE LYS 23 -5.469 8.796 -4.034 176 HE3 LYS 23 2HE LYS 23 -6.717 7.547 -3.933 177 HZ1 LYS 23 3HZ LYS 23 -8.237 9.229 -3.034 178 HZ2 LYS 23 1HZ LYS 23 -7.675 9.707 -4.488 179 HZ3 LYS 23 2HZ LYS 23 -7.084 10.385 -3.128 180 H ASN 24 H ASN 24 -4.082 4.082 1.320 181 HA ASN 24 HA ASN 24 -2.529 5.085 3.574 182 HB2 ASN 24 1HB ASN 24 -4.047 2.474 3.114 183 HB3 ASN 24 2HB ASN 24 -3.296 2.934 4.640 184 HD21 ASN 24 1HD2 ASN 24 -6.104 2.388 4.430 185 HD22 ASN 24 2HD2 ASN 24 -6.909 3.915 4.742 186 H LEU 25 H LEU 25 -2.035 2.534 1.107 187 HA LEU 25 HA LEU 25 0.513 1.719 2.183 188 HB2 LEU 25 1HB LEU 25 -0.715 0.222 0.757 189 HB3 LEU 25 2HB LEU 25 -0.735 1.380 -0.563 190 HG LEU 25 HG LEU 25 1.692 1.219 -0.822 191 HD11 LEU 25 1HD1 LEU 25 3.056 -0.337 0.366 192 HD12 LEU 25 2HD1 LEU 25 1.653 -1.043 1.217 193 HD13 LEU 25 3HD1 LEU 25 2.230 0.588 1.593 194 HD21 LEU 25 3HD2 LEU 25 0.227 -0.298 -2.087 195 HD22 LEU 25 1HD2 LEU 25 0.352 -1.502 -0.781 196 HD23 LEU 25 2HD2 LEU 25 1.791 -1.047 -1.720 197 H ILE 26 H ILE 26 -0.366 4.200 -0.304 198 HA ILE 26 HA ILE 26 2.293 4.945 -0.963 199 HB ILE 26 HB ILE 26 -0.071 6.845 -0.791 200 HG12 ILE 26 1HG1 ILE 26 -0.900 5.444 -2.407 201 HG13 ILE 26 2HG1 ILE 26 0.006 6.553 -3.377 202 HG21 ILE 26 1HG2 ILE 26 1.218 8.184 -2.445 203 HG22 ILE 26 2HG2 ILE 26 2.067 8.044 -0.918 204 HG23 ILE 26 3HG2 ILE 26 2.573 7.043 -2.299 205 HD11 ILE 26 3HD1 ILE 26 1.881 4.853 -3.463 206 HD12 ILE 26 1HD1 ILE 26 0.776 3.724 -2.623 207 HD13 ILE 26 2HD1 ILE 26 0.342 4.356 -4.212 208 H LYS 27 H LYS 27 0.259 6.122 1.757 209 HA LYS 27 HA LYS 27 2.201 7.850 2.922 210 HB2 LYS 27 1HB LYS 27 -0.184 7.862 3.514 211 HB3 LYS 27 2HB LYS 27 -0.055 6.244 4.193 212 HG2 LYS 27 1HG LYS 27 -0.125 7.901 5.953 213 HG3 LYS 27 2HG LYS 27 1.423 7.058 5.977 214 HD2 LYS 27 1HD LYS 27 2.517 8.998 4.882 215 HD3 LYS 27 2HD LYS 27 0.946 9.823 4.767 216 HE2 LYS 27 1HE LYS 27 0.758 9.771 7.250 217 HE3 LYS 27 2HE LYS 27 2.320 8.950 7.352 218 HZ1 LYS 27 3HZ LYS 27 2.551 11.342 7.700 219 HZ2 LYS 27 1HZ LYS 27 1.900 11.678 6.244 220 HZ3 LYS 27 2HZ LYS 27 3.347 10.920 6.340 221 H HIS 28 H HIS 28 1.654 4.340 3.546 222 HA HIS 28 HA HIS 28 3.787 4.002 5.416 223 HB2 HIS 28 1HB HIS 28 2.207 2.249 5.185 224 HB3 HIS 28 2HB HIS 28 2.437 2.134 3.446 225 HD1 HIS 28 1HD HIS 28 4.441 1.339 6.660 226 HD2 HIS 28 2HD HIS 28 4.318 0.524 2.540 227 HE1 HIS 28 1HE HIS 28 6.184 -0.452 6.260 228 H ILE 29 H ILE 29 3.856 3.716 1.820 229 HA ILE 29 HA ILE 29 6.610 2.988 1.664 230 HB ILE 29 HB ILE 29 4.742 4.273 -0.357 231 HG12 ILE 29 1HG1 ILE 29 5.888 1.440 -0.190 232 HG13 ILE 29 2HG1 ILE 29 4.321 1.887 0.456 233 HG21 ILE 29 1HG2 ILE 29 7.059 4.891 -0.973 234 HG22 ILE 29 2HG2 ILE 29 7.563 3.191 -0.811 235 HG23 ILE 29 3HG2 ILE 29 6.438 3.697 -2.089 236 HD11 ILE 29 3HD1 ILE 29 5.121 1.956 -2.478 237 HD12 ILE 29 1HD1 ILE 29 3.991 0.858 -1.688 238 HD13 ILE 29 2HD1 ILE 29 3.582 2.581 -1.834 239 H ARG 30 H ARG 30 5.113 6.258 1.429 240 HA ARG 30 HA ARG 30 7.639 7.649 1.176 241 HB2 ARG 30 1HB ARG 30 4.872 8.538 2.107 242 HB3 ARG 30 2HB ARG 30 6.235 9.644 1.882 243 HG2 ARG 30 1HG ARG 30 6.408 9.053 -0.490 244 HG3 ARG 30 2HG ARG 30 5.092 7.876 -0.328 245 HD2 ARG 30 1HD ARG 30 3.545 9.684 0.339 246 HD3 ARG 30 2HD ARG 30 4.856 10.872 0.166 247 HE ARG 30 HE ARG 30 4.698 9.489 -2.281 248 HH11 ARG 30 2HH1 ARG 30 2.611 11.657 -0.486 249 HH12 ARG 30 1HH1 ARG 30 1.811 12.225 -1.926 250 HH21 ARG 30 2HH2 ARG 30 3.640 10.262 -4.078 251 HH22 ARG 30 1HH2 ARG 30 2.388 11.454 -3.903 252 H ASP 31 H ASP 31 5.917 6.532 4.055 253 HA ASP 31 HA ASP 31 7.632 8.051 5.865 254 HB2 ASP 31 1HB ASP 31 5.264 7.500 6.336 255 HB3 ASP 31 2HB ASP 31 5.688 5.787 6.426 256 H MET 32 H MET 32 7.564 4.634 4.763 257 HA MET 32 HA MET 32 9.878 4.042 6.552 258 HB2 MET 32 1HB MET 32 7.856 2.149 5.308 259 HB3 MET 32 2HB MET 32 9.165 1.725 6.414 260 HG2 MET 32 1HG MET 32 8.098 3.475 8.026 261 HG3 MET 32 2HG MET 32 6.686 3.353 6.976 262 HE1 MET 32 3HE MET 32 8.894 1.738 9.722 263 HE2 MET 32 1HE MET 32 8.318 0.059 9.803 264 HE3 MET 32 2HE MET 32 9.274 0.599 8.409 265 H HIS 33 H HIS 33 9.273 4.267 3.125 266 HA HIS 33 HA HIS 33 11.826 2.765 2.601 267 HB2 HIS 33 1HB HIS 33 9.323 2.776 0.886 268 HB3 HIS 33 2HB HIS 33 10.814 1.898 0.569 269 HD1 HIS 33 1HD HIS 33 11.340 0.344 3.193 270 HD2 HIS 33 2HD HIS 33 7.539 1.034 1.550 271 HE1 HIS 33 1HE HIS 33 9.839 -1.475 4.136 272 H ASP 34 H ASP 34 9.673 5.304 1.350 273 HA ASP 34 HA ASP 34 9.916 6.908 -0.224 274 HB2 ASP 34 1HB ASP 34 10.647 7.913 1.860 275 HB3 ASP 34 2HB ASP 34 12.322 7.508 1.500 276 HA PRO 35 HA PRO 35 12.981 4.813 -3.042 277 HB2 PRO 35 1HB PRO 35 11.304 4.516 -5.202 278 HB3 PRO 35 2HB PRO 35 11.413 3.342 -3.852 279 HG2 PRO 35 1HG PRO 35 9.401 5.592 -4.204 280 HG3 PRO 35 2HG PRO 35 9.073 3.875 -3.809 281 HD2 PRO 35 1HD PRO 35 9.188 5.759 -1.880 282 HD3 PRO 35 2HD PRO 35 9.885 4.135 -1.595 283 H GLN 36 H GLN 36 14.209 5.854 -4.577 284 HA GLN 36 HA GLN 36 13.368 8.396 -5.789 285 HB2 GLN 36 1HB GLN 36 15.863 8.087 -4.057 286 HB3 GLN 36 2HB GLN 36 15.489 9.467 -5.097 287 HG2 GLN 36 1HG GLN 36 13.456 9.938 -3.712 288 HG3 GLN 36 2HG GLN 36 13.894 8.596 -2.653 289 HE21 GLN 36 1HE2 GLN 36 13.929 10.237 -0.859 290 HE22 GLN 36 2HE2 GLN 36 15.368 11.245 -0.726 291 H ASP 37 H ASP 37 14.405 8.801 -7.649 292 HA ASP 37 HA ASP 37 16.634 7.125 -8.668 293 HB2 ASP 37 1HB ASP 37 14.580 5.963 -9.365 294 HB3 ASP 37 2HB ASP 37 13.963 7.442 -10.093 Start of MODEL 14 1 H1 GLY 1 1H GLY 1 -3.934 -14.013 -20.602 2 H2 GLY 1 2H GLY 1 -3.339 -14.508 -19.158 3 H3 GLY 1 3H GLY 1 -2.898 -13.055 -19.768 4 HA2 GLY 1 1HA GLY 1 -5.136 -12.208 -19.561 5 HA3 GLY 1 2HA GLY 1 -5.627 -13.785 -18.918 6 H SER 2 H SER 2 -5.886 -11.212 -17.614 7 HA SER 2 HA SER 2 -3.879 -10.789 -15.622 8 HB2 SER 2 1HB SER 2 -6.819 -10.014 -15.584 9 HB3 SER 2 2HB SER 2 -5.537 -9.330 -14.566 10 HG SER 2 HG SER 2 -5.977 -8.031 -16.421 11 H SER 3 H SER 3 -3.918 -11.133 -13.369 12 HA SER 3 HA SER 3 -5.805 -13.074 -12.180 13 HB2 SER 3 1HB SER 3 -4.067 -14.584 -11.459 14 HB3 SER 3 2HB SER 3 -3.960 -14.414 -13.214 15 HG SER 3 HG SER 3 -1.902 -14.251 -12.276 16 H GLY 4 H GLY 4 -5.047 -13.452 -9.755 17 HA2 GLY 4 1HA GLY 4 -5.151 -11.007 -8.339 18 HA3 GLY 4 2HA GLY 4 -4.669 -12.566 -7.661 19 H SER 5 H SER 5 -2.331 -12.754 -9.545 20 HA SER 5 HA SER 5 -0.277 -11.519 -8.006 21 HB2 SER 5 1HB SER 5 -0.158 -12.617 -10.839 22 HB3 SER 5 2HB SER 5 1.221 -12.326 -9.763 23 HG SER 5 HG SER 5 0.536 -14.526 -9.730 24 H SER 6 H SER 6 -2.242 -10.113 -10.506 25 HA SER 6 HA SER 6 -0.387 -7.988 -11.235 26 HB2 SER 6 1HB SER 6 -3.403 -8.162 -11.561 27 HB3 SER 6 2HB SER 6 -2.333 -6.964 -12.310 28 HG SER 6 HG SER 6 -2.673 -8.585 -13.792 29 H GLY 7 H GLY 7 -1.714 -8.559 -8.269 30 HA2 GLY 7 1HA GLY 7 -1.511 -7.177 -6.394 31 HA3 GLY 7 2HA GLY 7 -1.368 -5.749 -7.419 32 H ILE 8 H ILE 8 -3.874 -8.308 -7.096 33 HA ILE 8 HA ILE 8 -6.056 -6.532 -7.515 34 HB ILE 8 HB ILE 8 -5.994 -8.944 -8.011 35 HG12 ILE 8 1HG1 ILE 8 -8.378 -8.213 -6.270 36 HG13 ILE 8 2HG1 ILE 8 -8.103 -7.597 -7.904 37 HG21 ILE 8 1HG2 ILE 8 -6.416 -10.638 -6.302 38 HG22 ILE 8 2HG2 ILE 8 -4.974 -9.735 -5.845 39 HG23 ILE 8 3HG2 ILE 8 -6.520 -9.409 -5.036 40 HD11 ILE 8 3HD1 ILE 8 -8.545 -10.511 -7.134 41 HD12 ILE 8 1HD1 ILE 8 -9.650 -9.446 -8.016 42 HD13 ILE 8 2HD1 ILE 8 -8.121 -9.946 -8.770 43 H LYS 9 H LYS 9 -4.396 -7.296 -4.575 44 HA LYS 9 HA LYS 9 -6.146 -5.409 -3.062 45 HB2 LYS 9 1HB LYS 9 -4.972 -8.021 -2.020 46 HB3 LYS 9 2HB LYS 9 -5.611 -6.735 -0.987 47 HG2 LYS 9 1HG LYS 9 -7.834 -6.935 -2.063 48 HG3 LYS 9 2HG LYS 9 -7.216 -8.194 -3.132 49 HD2 LYS 9 1HD LYS 9 -8.454 -9.251 -1.389 50 HD3 LYS 9 2HD LYS 9 -6.744 -9.642 -1.161 51 HE2 LYS 9 1HE LYS 9 -6.574 -7.923 0.614 52 HE3 LYS 9 2HE LYS 9 -8.253 -7.440 0.329 53 HZ1 LYS 9 3HZ LYS 9 -8.077 -8.962 2.215 54 HZ2 LYS 9 1HZ LYS 9 -7.401 -10.123 1.287 55 HZ3 LYS 9 2HZ LYS 9 -8.948 -9.665 1.030 56 H GLN 10 H GLN 10 -5.043 -4.233 -1.392 57 HA GLN 10 HA GLN 10 -2.574 -3.177 -2.486 58 HB2 GLN 10 1HB GLN 10 -3.870 -2.401 0.142 59 HB3 GLN 10 2HB GLN 10 -2.705 -1.493 -0.774 60 HG2 GLN 10 1HG GLN 10 -4.771 -0.431 -1.090 61 HG3 GLN 10 2HG GLN 10 -4.394 -1.226 -2.618 62 HE21 GLN 10 1HE2 GLN 10 -5.976 -2.424 0.484 63 HE22 GLN 10 2HE2 GLN 10 -7.444 -2.902 -0.356 64 H HIS 11 H HIS 11 -0.568 -3.914 -2.074 65 HA HIS 11 HA HIS 11 0.168 -4.431 0.713 66 HB2 HIS 11 1HB HIS 11 1.375 -6.460 0.282 67 HB3 HIS 11 2HB HIS 11 -0.299 -6.680 -0.208 68 HD1 HIS 11 1HD HIS 11 3.211 -6.204 -1.788 69 HD2 HIS 11 2HD HIS 11 -0.750 -7.256 -2.783 70 HE1 HIS 11 1HE HIS 11 3.284 -7.120 -4.169 71 H CYS 12 H CYS 12 2.336 -4.143 1.214 72 HA CYS 12 HA CYS 12 3.822 -2.164 -0.208 73 HB2 CYS 12 1HB CYS 12 3.874 -2.550 2.211 74 HB3 CYS 12 2HB CYS 12 4.639 -4.125 1.950 75 H ARG 13 H ARG 13 5.692 -2.288 -1.324 76 HA ARG 13 HA ARG 13 6.234 -4.730 -2.947 77 HB2 ARG 13 1HB ARG 13 5.880 -2.533 -4.026 78 HB3 ARG 13 2HB ARG 13 7.247 -1.859 -3.141 79 HG2 ARG 13 1HG ARG 13 8.795 -3.387 -4.304 80 HG3 ARG 13 2HG ARG 13 7.442 -4.145 -5.160 81 HD2 ARG 13 1HD ARG 13 8.232 -1.204 -5.346 82 HD3 ARG 13 2HD ARG 13 8.732 -2.456 -6.495 83 HE ARG 13 HE ARG 13 5.934 -2.607 -6.388 84 HH11 ARG 13 2HH1 ARG 13 8.262 -0.203 -7.423 85 HH12 ARG 13 1HH1 ARG 13 7.160 0.504 -8.572 86 HH21 ARG 13 2HH2 ARG 13 4.574 -1.653 -7.867 87 HH22 ARG 13 1HH2 ARG 13 5.128 -0.306 -8.814 88 H PHE 14 H PHE 14 7.562 -2.979 -0.265 89 HA PHE 14 HA PHE 14 10.270 -4.184 -0.640 90 HB2 PHE 14 1HB PHE 14 9.432 -1.816 1.041 91 HB3 PHE 14 2HB PHE 14 11.070 -2.310 0.651 92 HD1 PHE 14 2HD PHE 14 11.887 -2.128 -1.758 93 HD2 PHE 14 1HD PHE 14 8.137 -0.441 -0.457 94 HE1 PHE 14 2HE PHE 14 11.826 -0.691 -3.784 95 HE2 PHE 14 1HE PHE 14 8.085 0.999 -2.480 96 HZ PHE 14 HZ PHE 14 9.929 0.878 -4.145 97 H CYS 15 H CYS 15 7.631 -4.027 1.714 98 HA CYS 15 HA CYS 15 9.040 -6.090 3.318 99 HB2 CYS 15 1HB CYS 15 8.577 -5.078 5.379 100 HB3 CYS 15 2HB CYS 15 9.373 -3.887 4.369 101 H LYS 16 H LYS 16 6.551 -5.682 1.433 102 HA LYS 16 HA LYS 16 4.678 -6.811 0.910 103 HB2 LYS 16 1HB LYS 16 5.839 -9.044 2.580 104 HB3 LYS 16 2HB LYS 16 4.775 -9.187 1.187 105 HG2 LYS 16 1HG LYS 16 7.679 -8.268 1.164 106 HG3 LYS 16 2HG LYS 16 7.030 -9.802 0.595 107 HD2 LYS 16 1HD LYS 16 5.747 -8.591 -1.189 108 HD3 LYS 16 2HD LYS 16 6.424 -7.067 -0.607 109 HE2 LYS 16 1HE LYS 16 7.705 -7.682 -2.501 110 HE3 LYS 16 2HE LYS 16 8.724 -7.893 -1.076 111 HZ1 LYS 16 3HZ LYS 16 7.301 -10.090 -2.497 112 HZ2 LYS 16 1HZ LYS 16 8.280 -10.293 -1.201 113 HZ3 LYS 16 2HZ LYS 16 8.896 -9.774 -2.618 114 H LYS 17 H LYS 17 4.502 -5.457 3.735 115 HA LYS 17 HA LYS 17 2.320 -6.806 5.054 116 HB2 LYS 17 1HB LYS 17 3.127 -3.872 5.074 117 HB3 LYS 17 2HB LYS 17 1.946 -4.623 6.164 118 HG2 LYS 17 1HG LYS 17 3.660 -6.029 7.169 119 HG3 LYS 17 2HG LYS 17 4.847 -5.528 5.955 120 HD2 LYS 17 1HD LYS 17 4.658 -3.162 6.792 121 HD3 LYS 17 2HD LYS 17 3.581 -3.737 8.068 122 HE2 LYS 17 1HE LYS 17 5.858 -3.459 8.907 123 HE3 LYS 17 2HE LYS 17 5.372 -5.155 8.988 124 HZ1 LYS 17 3HZ LYS 17 6.979 -4.049 6.736 125 HZ2 LYS 17 1HZ LYS 17 6.702 -5.615 7.059 126 HZ3 LYS 17 2HZ LYS 17 7.658 -4.748 8.065 127 H LYS 18 H LYS 18 0.137 -6.336 5.094 128 HA LYS 18 HA LYS 18 -1.065 -5.442 2.528 129 HB2 LYS 18 1HB LYS 18 -2.090 -6.945 4.950 130 HB3 LYS 18 2HB LYS 18 -3.133 -6.466 3.594 131 HG2 LYS 18 1HG LYS 18 -1.725 -7.749 2.019 132 HG3 LYS 18 2HG LYS 18 -0.680 -8.274 3.342 133 HD2 LYS 18 1HD LYS 18 -3.655 -8.904 3.108 134 HD3 LYS 18 2HD LYS 18 -2.338 -9.989 2.639 135 HE2 LYS 18 1HE LYS 18 -1.476 -9.948 4.983 136 HE3 LYS 18 2HE LYS 18 -2.840 -8.926 5.457 137 HZ1 LYS 18 3HZ LYS 18 -3.284 -11.265 5.923 138 HZ2 LYS 18 1HZ LYS 18 -3.078 -11.678 4.359 139 HZ3 LYS 18 2HZ LYS 18 -4.339 -10.733 4.800 140 H TYR 19 H TYR 19 -2.698 -3.921 2.350 141 HA TYR 19 HA TYR 19 -3.218 -2.141 4.689 142 HB2 TYR 19 1HB TYR 19 -2.052 -1.346 2.012 143 HB3 TYR 19 2HB TYR 19 -2.946 -0.196 3.001 144 HD1 TYR 19 1HD TYR 19 -2.241 0.303 5.352 145 HD2 TYR 19 2HD TYR 19 0.230 -1.995 2.659 146 HE1 TYR 19 1HE TYR 19 -0.325 0.509 6.929 147 HE2 TYR 19 2HE TYR 19 2.146 -1.769 4.229 148 HH TYR 19 HH TYR 19 2.842 -1.000 6.279 149 H SER 20 H SER 20 -5.018 -0.821 4.655 150 HA SER 20 HA SER 20 -7.352 -2.127 3.576 151 HB2 SER 20 1HB SER 20 -8.526 -0.332 4.873 152 HB3 SER 20 2HB SER 20 -7.359 -1.277 5.812 153 HG SER 20 HG SER 20 -7.114 0.931 6.234 154 H ASP 21 H ASP 21 -5.499 0.635 2.513 155 HA ASP 21 HA ASP 21 -7.285 1.089 0.221 156 HB2 ASP 21 1HB ASP 21 -8.184 2.498 2.125 157 HB3 ASP 21 2HB ASP 21 -6.632 3.330 2.186 158 H VAL 22 H VAL 22 -6.255 2.330 -1.475 159 HA VAL 22 HA VAL 22 -3.463 1.889 -1.777 160 HB VAL 22 HB VAL 22 -5.159 2.194 -3.578 161 HG11 VAL 22 1HG1 VAL 22 -4.722 5.179 -3.279 162 HG12 VAL 22 2HG1 VAL 22 -5.679 4.340 -4.508 163 HG13 VAL 22 3HG1 VAL 22 -6.212 4.317 -2.821 164 HG21 VAL 22 3HG2 VAL 22 -2.747 2.093 -4.041 165 HG22 VAL 22 1HG2 VAL 22 -3.604 3.128 -5.195 166 HG23 VAL 22 2HG2 VAL 22 -2.648 3.859 -3.892 167 H LYS 23 H LYS 23 -5.215 4.724 -0.505 168 HA LYS 23 HA LYS 23 -2.893 6.414 -0.631 169 HB2 LYS 23 1HB LYS 23 -5.450 6.670 1.018 170 HB3 LYS 23 2HB LYS 23 -4.199 7.915 0.911 171 HG2 LYS 23 1HG LYS 23 -4.538 8.108 -1.525 172 HG3 LYS 23 2HG LYS 23 -5.737 6.811 -1.484 173 HD2 LYS 23 1HD LYS 23 -6.891 8.909 -1.608 174 HD3 LYS 23 2HD LYS 23 -7.194 8.185 -0.022 175 HE2 LYS 23 1HE LYS 23 -5.486 9.680 0.990 176 HE3 LYS 23 2HE LYS 23 -5.131 10.364 -0.602 177 HZ1 LYS 23 3HZ LYS 23 -7.753 10.556 0.789 178 HZ2 LYS 23 1HZ LYS 23 -7.423 11.192 -0.680 179 HZ3 LYS 23 2HZ LYS 23 -6.672 11.768 0.646 180 H ASN 24 H ASN 24 -4.152 4.205 1.816 181 HA ASN 24 HA ASN 24 -2.230 4.911 3.893 182 HB2 ASN 24 1HB ASN 24 -4.064 2.519 3.461 183 HB3 ASN 24 2HB ASN 24 -2.962 2.650 4.828 184 HD21 ASN 24 1HD2 ASN 24 -5.870 2.487 5.015 185 HD22 ASN 24 2HD2 ASN 24 -6.346 3.993 5.782 186 H LEU 25 H LEU 25 -2.274 2.483 1.256 187 HA LEU 25 HA LEU 25 0.272 1.325 1.860 188 HB2 LEU 25 1HB LEU 25 -1.289 0.263 0.345 189 HB3 LEU 25 2HB LEU 25 -1.280 1.651 -0.736 190 HG LEU 25 HG LEU 25 1.074 1.238 -1.329 191 HD11 LEU 25 1HD1 LEU 25 0.811 -1.224 0.451 192 HD12 LEU 25 2HD1 LEU 25 1.893 0.157 0.737 193 HD13 LEU 25 3HD1 LEU 25 2.149 -0.877 -0.666 194 HD21 LEU 25 3HD2 LEU 25 0.736 -0.760 -2.646 195 HD22 LEU 25 1HD2 LEU 25 -0.766 0.180 -2.621 196 HD23 LEU 25 2HD2 LEU 25 -0.604 -1.277 -1.610 197 H ILE 26 H ILE 26 -0.528 4.086 -0.345 198 HA ILE 26 HA ILE 26 2.205 4.628 -1.024 199 HB ILE 26 HB ILE 26 -0.305 6.329 -1.146 200 HG12 ILE 26 1HG1 ILE 26 1.372 5.014 -3.344 201 HG13 ILE 26 2HG1 ILE 26 -0.033 4.247 -2.621 202 HG21 ILE 26 1HG2 ILE 26 1.590 7.887 -0.968 203 HG22 ILE 26 2HG2 ILE 26 2.482 6.985 -2.217 204 HG23 ILE 26 3HG2 ILE 26 1.001 7.883 -2.616 205 HD11 ILE 26 3HD1 ILE 26 -0.055 6.810 -4.254 206 HD12 ILE 26 1HD1 ILE 26 -0.709 5.230 -4.695 207 HD13 ILE 26 2HD1 ILE 26 -1.461 6.155 -3.379 208 H LYS 27 H LYS 27 0.159 5.991 1.591 209 HA LYS 27 HA LYS 27 2.078 7.747 2.749 210 HB2 LYS 27 1HB LYS 27 -0.287 7.745 3.293 211 HB3 LYS 27 2HB LYS 27 -0.174 6.104 3.945 212 HG2 LYS 27 1HG LYS 27 1.144 6.869 5.835 213 HG3 LYS 27 2HG LYS 27 1.305 8.486 5.130 214 HD2 LYS 27 1HD LYS 27 -0.387 8.395 6.955 215 HD3 LYS 27 2HD LYS 27 -1.065 8.924 5.407 216 HE2 LYS 27 1HE LYS 27 -1.926 6.634 4.996 217 HE3 LYS 27 2HE LYS 27 -1.265 6.092 6.544 218 HZ1 LYS 27 3HZ LYS 27 -3.321 8.222 6.252 219 HZ2 LYS 27 1HZ LYS 27 -2.812 7.562 7.661 220 HZ3 LYS 27 2HZ LYS 27 -3.658 6.661 6.577 221 H HIS 28 H HIS 28 1.590 4.230 3.381 222 HA HIS 28 HA HIS 28 3.713 3.943 5.272 223 HB2 HIS 28 1HB HIS 28 2.112 2.191 5.049 224 HB3 HIS 28 2HB HIS 28 2.385 2.032 3.321 225 HD1 HIS 28 1HD HIS 28 4.335 1.368 6.597 226 HD2 HIS 28 2HD HIS 28 4.216 0.338 2.520 227 HE1 HIS 28 1HE HIS 28 6.033 -0.483 6.310 228 H ILE 29 H ILE 29 3.785 3.539 1.686 229 HA ILE 29 HA ILE 29 6.567 2.889 1.550 230 HB ILE 29 HB ILE 29 4.689 4.079 -0.509 231 HG12 ILE 29 1HG1 ILE 29 5.747 1.221 -0.338 232 HG13 ILE 29 2HG1 ILE 29 4.254 1.703 0.446 233 HG21 ILE 29 1HG2 ILE 29 6.347 3.358 -2.223 234 HG22 ILE 29 2HG2 ILE 29 7.027 4.586 -1.172 235 HG23 ILE 29 3HG2 ILE 29 7.461 2.880 -0.930 236 HD11 ILE 29 3HD1 ILE 29 3.324 2.447 -1.749 237 HD12 ILE 29 1HD1 ILE 29 4.782 1.811 -2.548 238 HD13 ILE 29 2HD1 ILE 29 3.708 0.715 -1.675 239 H ARG 30 H ARG 30 4.941 6.079 1.312 240 HA ARG 30 HA ARG 30 7.389 7.586 0.951 241 HB2 ARG 30 1HB ARG 30 4.588 8.363 1.853 242 HB3 ARG 30 2HB ARG 30 5.898 9.529 1.620 243 HG2 ARG 30 1HG ARG 30 6.128 8.886 -0.743 244 HG3 ARG 30 2HG ARG 30 4.883 7.649 -0.561 245 HD2 ARG 30 1HD ARG 30 3.849 9.556 -1.588 246 HD3 ARG 30 2HD ARG 30 3.232 9.409 0.052 247 HE ARG 30 HE ARG 30 4.230 11.423 0.641 248 HH11 ARG 30 2HH1 ARG 30 5.484 10.562 -2.521 249 HH12 ARG 30 1HH1 ARG 30 6.229 12.121 -2.743 250 HH21 ARG 30 2HH2 ARG 30 5.212 13.377 0.289 251 HH22 ARG 30 1HH2 ARG 30 6.075 13.665 -1.193 252 H ASP 31 H ASP 31 5.932 6.291 3.847 253 HA ASP 31 HA ASP 31 7.559 8.001 5.612 254 HB2 ASP 31 1HB ASP 31 5.238 7.372 6.173 255 HB3 ASP 31 2HB ASP 31 5.718 5.673 6.246 256 H MET 32 H MET 32 7.579 4.574 4.553 257 HA MET 32 HA MET 32 10.020 4.098 6.210 258 HB2 MET 32 1HB MET 32 8.011 2.120 5.078 259 HB3 MET 32 2HB MET 32 9.402 1.746 6.099 260 HG2 MET 32 1HG MET 32 8.361 3.419 7.799 261 HG3 MET 32 2HG MET 32 6.896 3.272 6.824 262 HE1 MET 32 3HE MET 32 8.779 -0.030 9.479 263 HE2 MET 32 1HE MET 32 9.643 0.572 8.052 264 HE3 MET 32 2HE MET 32 9.298 1.667 9.409 265 H HIS 33 H HIS 33 9.146 4.236 2.828 266 HA HIS 33 HA HIS 33 11.706 2.896 2.072 267 HB2 HIS 33 1HB HIS 33 9.059 2.433 0.684 268 HB3 HIS 33 2HB HIS 33 10.576 1.580 0.422 269 HD1 HIS 33 1HD HIS 33 11.315 0.421 3.168 270 HD2 HIS 33 2HD HIS 33 7.383 0.871 1.763 271 HE1 HIS 33 1HE HIS 33 9.925 -1.275 4.459 272 H ASP 34 H ASP 34 10.946 5.806 2.118 273 HA ASP 34 HA ASP 34 10.245 6.713 -0.442 274 HB2 ASP 34 1HB ASP 34 10.927 8.899 0.266 275 HB3 ASP 34 2HB ASP 34 10.020 8.074 1.521 276 HA PRO 35 HA PRO 35 14.019 6.064 -2.781 277 HB2 PRO 35 1HB PRO 35 12.888 8.261 -4.520 278 HB3 PRO 35 2HB PRO 35 13.595 6.686 -5.002 279 HG2 PRO 35 1HG PRO 35 10.909 7.008 -4.958 280 HG3 PRO 35 2HG PRO 35 11.637 5.509 -4.289 281 HD2 PRO 35 1HD PRO 35 10.668 7.957 -2.784 282 HD3 PRO 35 2HD PRO 35 10.401 6.222 -2.443 283 H GLN 36 H GLN 36 16.054 6.897 -2.732 284 HA GLN 36 HA GLN 36 16.603 9.763 -2.424 285 HB2 GLN 36 1HB GLN 36 17.569 7.668 -0.424 286 HB3 GLN 36 2HB GLN 36 18.159 9.332 -0.539 287 HG2 GLN 36 1HG GLN 36 15.856 10.164 -0.022 288 HG3 GLN 36 2HG GLN 36 15.318 8.494 0.164 289 HE21 GLN 36 1HE2 GLN 36 14.642 9.310 2.330 290 HE22 GLN 36 2HE2 GLN 36 15.864 9.300 3.613 291 H ASP 37 H ASP 37 18.497 10.316 -3.302 292 HA ASP 37 HA ASP 37 20.535 8.342 -4.167 293 HB2 ASP 37 1HB ASP 37 18.945 8.482 -6.044 294 HB3 ASP 37 2HB ASP 37 19.104 10.235 -6.074 Start of MODEL 15 1 H1 GLY 1 1H GLY 1 -14.344 -10.748 5.251 2 H2 GLY 1 2H GLY 1 -13.253 -10.896 4.037 3 H3 GLY 1 3H GLY 1 -14.741 -10.281 3.732 4 HA2 GLY 1 1HA GLY 1 -14.292 -8.349 5.105 5 HA3 GLY 1 2HA GLY 1 -12.686 -9.021 5.435 6 H SER 2 H SER 2 -14.394 -6.906 3.484 7 HA SER 2 HA SER 2 -12.387 -6.944 1.258 8 HB2 SER 2 1HB SER 2 -15.406 -6.675 0.995 9 HB3 SER 2 2HB SER 2 -14.224 -6.607 -0.321 10 HG SER 2 HG SER 2 -15.203 -8.685 -0.107 11 H SER 3 H SER 3 -11.979 -4.955 0.250 12 HA SER 3 HA SER 3 -13.167 -2.488 1.457 13 HB2 SER 3 1HB SER 3 -10.187 -3.007 1.166 14 HB3 SER 3 2HB SER 3 -10.951 -1.513 1.744 15 HG SER 3 HG SER 3 -11.847 -2.733 3.477 16 H GLY 4 H GLY 4 -13.150 -0.637 0.212 17 HA2 GLY 4 1HA GLY 4 -13.096 0.663 -1.706 18 HA3 GLY 4 2HA GLY 4 -11.928 -0.444 -2.420 19 H SER 5 H SER 5 -13.493 0.378 -4.259 20 HA SER 5 HA SER 5 -16.121 -0.759 -4.479 21 HB2 SER 5 1HB SER 5 -15.967 0.021 -6.835 22 HB3 SER 5 2HB SER 5 -15.553 1.264 -5.642 23 HG SER 5 HG SER 5 -14.053 1.189 -7.393 24 H SER 6 H SER 6 -12.954 -2.001 -5.423 25 HA SER 6 HA SER 6 -14.042 -4.284 -6.930 26 HB2 SER 6 1HB SER 6 -11.675 -4.890 -7.171 27 HB3 SER 6 2HB SER 6 -11.949 -3.192 -7.604 28 HG SER 6 HG SER 6 -10.167 -3.271 -6.259 29 H GLY 7 H GLY 7 -13.341 -3.596 -3.623 30 HA2 GLY 7 1HA GLY 7 -13.536 -4.908 -1.728 31 HA3 GLY 7 2HA GLY 7 -13.753 -6.351 -2.718 32 H ILE 8 H ILE 8 -11.009 -4.950 -3.956 33 HA ILE 8 HA ILE 8 -9.406 -7.107 -2.862 34 HB ILE 8 HB ILE 8 -8.818 -4.986 -4.950 35 HG12 ILE 8 1HG1 ILE 8 -9.525 -7.950 -5.231 36 HG13 ILE 8 2HG1 ILE 8 -10.648 -6.622 -5.495 37 HG21 ILE 8 1HG2 ILE 8 -6.899 -6.421 -5.632 38 HG22 ILE 8 2HG2 ILE 8 -6.691 -5.751 -4.037 39 HG23 ILE 8 3HG2 ILE 8 -7.182 -7.455 -4.215 40 HD11 ILE 8 3HD1 ILE 8 -9.171 -5.773 -7.344 41 HD12 ILE 8 1HD1 ILE 8 -8.230 -7.280 -7.197 42 HD13 ILE 8 2HD1 ILE 8 -9.940 -7.345 -7.633 43 H LYS 9 H LYS 9 -7.658 -7.085 -1.584 44 HA LYS 9 HA LYS 9 -6.956 -4.656 -0.034 45 HB2 LYS 9 1HB LYS 9 -5.990 -7.535 0.172 46 HB3 LYS 9 2HB LYS 9 -5.480 -6.227 1.230 47 HG2 LYS 9 1HG LYS 9 -8.330 -7.292 1.001 48 HG3 LYS 9 2HG LYS 9 -7.160 -7.675 2.265 49 HD2 LYS 9 1HD LYS 9 -7.080 -5.190 2.833 50 HD3 LYS 9 2HD LYS 9 -8.466 -4.976 1.734 51 HE2 LYS 9 1HE LYS 9 -9.734 -6.681 3.057 52 HE3 LYS 9 2HE LYS 9 -8.353 -6.845 4.147 53 HZ1 LYS 9 3HZ LYS 9 -9.983 -4.387 3.762 54 HZ2 LYS 9 1HZ LYS 9 -8.640 -4.428 4.678 55 HZ3 LYS 9 2HZ LYS 9 -9.943 -5.321 5.100 56 H GLN 10 H GLN 10 -4.987 -3.754 0.068 57 HA GLN 10 HA GLN 10 -3.242 -3.962 -2.347 58 HB2 GLN 10 1HB GLN 10 -3.926 -1.779 -0.346 59 HB3 GLN 10 2HB GLN 10 -2.481 -1.676 -1.332 60 HG2 GLN 10 1HG GLN 10 -4.409 -0.422 -2.272 61 HG3 GLN 10 2HG GLN 10 -3.696 -1.597 -3.373 62 HE21 GLN 10 1HE2 GLN 10 -6.470 -1.340 -0.995 63 HE22 GLN 10 2HE2 GLN 10 -7.479 -2.437 -1.939 64 H HIS 11 H HIS 11 -0.849 -3.809 -2.002 65 HA HIS 11 HA HIS 11 0.069 -4.425 0.720 66 HB2 HIS 11 1HB HIS 11 1.223 -6.437 0.187 67 HB3 HIS 11 2HB HIS 11 -0.453 -6.637 -0.291 68 HD1 HIS 11 1HD HIS 11 3.057 -6.246 -1.824 69 HD2 HIS 11 2HD HIS 11 -0.939 -7.004 -2.926 70 HE1 HIS 11 1HE HIS 11 3.119 -7.034 -4.251 71 H CYS 12 H CYS 12 2.249 -4.206 1.146 72 HA CYS 12 HA CYS 12 3.759 -2.248 -0.372 73 HB2 CYS 12 1HB CYS 12 3.791 -2.465 2.085 74 HB3 CYS 12 2HB CYS 12 4.537 -4.065 1.929 75 H ARG 13 H ARG 13 5.602 -2.531 -1.526 76 HA ARG 13 HA ARG 13 6.132 -5.240 -2.694 77 HB2 ARG 13 1HB ARG 13 7.168 -4.149 -4.544 78 HB3 ARG 13 2HB ARG 13 5.576 -3.438 -4.284 79 HG2 ARG 13 1HG ARG 13 6.638 -1.500 -3.124 80 HG3 ARG 13 2HG ARG 13 8.234 -2.207 -3.410 81 HD2 ARG 13 1HD ARG 13 6.254 -1.310 -5.541 82 HD3 ARG 13 2HD ARG 13 7.684 -0.418 -5.033 83 HE ARG 13 HE ARG 13 7.562 -2.653 -6.878 84 HH11 ARG 13 2HH1 ARG 13 9.791 -1.109 -4.643 85 HH12 ARG 13 1HH1 ARG 13 11.184 -1.703 -5.503 86 HH21 ARG 13 2HH2 ARG 13 9.385 -3.379 -7.897 87 HH22 ARG 13 1HH2 ARG 13 10.956 -2.953 -7.287 88 H PHE 14 H PHE 14 7.426 -3.094 -0.405 89 HA PHE 14 HA PHE 14 10.232 -4.038 -0.767 90 HB2 PHE 14 1HB PHE 14 9.122 -1.865 1.010 91 HB3 PHE 14 2HB PHE 14 10.811 -2.186 0.694 92 HD1 PHE 14 2HD PHE 14 11.841 -1.527 -1.468 93 HD2 PHE 14 1HD PHE 14 7.725 -0.620 -0.553 94 HE1 PHE 14 2HE PHE 14 11.827 0.215 -3.240 95 HE2 PHE 14 1HE PHE 14 7.710 1.109 -2.335 96 HZ PHE 14 HZ PHE 14 9.762 1.538 -3.674 97 H CYS 15 H CYS 15 7.612 -3.989 1.653 98 HA CYS 15 HA CYS 15 9.083 -6.018 3.252 99 HB2 CYS 15 1HB CYS 15 8.614 -4.952 5.292 100 HB3 CYS 15 2HB CYS 15 9.401 -3.792 4.235 101 H LYS 16 H LYS 16 6.527 -5.729 1.419 102 HA LYS 16 HA LYS 16 4.660 -6.926 1.012 103 HB2 LYS 16 1HB LYS 16 5.956 -9.064 2.707 104 HB3 LYS 16 2HB LYS 16 4.834 -9.288 1.371 105 HG2 LYS 16 1HG LYS 16 7.703 -8.282 1.173 106 HG3 LYS 16 2HG LYS 16 7.081 -9.860 0.702 107 HD2 LYS 16 1HD LYS 16 5.674 -8.771 -1.066 108 HD3 LYS 16 2HD LYS 16 6.325 -7.201 -0.585 109 HE2 LYS 16 1HE LYS 16 7.537 -7.864 -2.511 110 HE3 LYS 16 2HE LYS 16 8.627 -7.976 -1.132 111 HZ1 LYS 16 3HZ LYS 16 8.788 -9.920 -2.592 112 HZ2 LYS 16 1HZ LYS 16 7.213 -10.280 -2.380 113 HZ3 LYS 16 2HZ LYS 16 8.259 -10.392 -1.127 114 H LYS 17 H LYS 17 4.507 -5.398 3.677 115 HA LYS 17 HA LYS 17 2.382 -6.707 5.161 116 HB2 LYS 17 1HB LYS 17 3.169 -3.774 4.955 117 HB3 LYS 17 2HB LYS 17 1.993 -4.446 6.103 118 HG2 LYS 17 1HG LYS 17 3.712 -5.782 7.194 119 HG3 LYS 17 2HG LYS 17 4.895 -5.359 5.946 120 HD2 LYS 17 1HD LYS 17 4.704 -2.947 6.628 121 HD3 LYS 17 2HD LYS 17 3.628 -3.437 7.941 122 HE2 LYS 17 1HE LYS 17 5.912 -3.105 8.755 123 HE3 LYS 17 2HE LYS 17 5.418 -4.789 8.953 124 HZ1 LYS 17 3HZ LYS 17 7.706 -4.460 8.004 125 HZ2 LYS 17 1HZ LYS 17 7.027 -3.853 6.628 126 HZ3 LYS 17 2HZ LYS 17 6.743 -5.392 7.064 127 H LYS 18 H LYS 18 0.193 -5.872 5.342 128 HA LYS 18 HA LYS 18 -1.021 -5.426 2.639 129 HB2 LYS 18 1HB LYS 18 -1.876 -7.104 5.009 130 HB3 LYS 18 2HB LYS 18 -2.914 -6.791 3.598 131 HG2 LYS 18 1HG LYS 18 -1.197 -7.840 2.114 132 HG3 LYS 18 2HG LYS 18 -0.179 -8.151 3.518 133 HD2 LYS 18 1HD LYS 18 -1.274 -10.206 3.035 134 HD3 LYS 18 2HD LYS 18 -1.982 -9.562 4.509 135 HE2 LYS 18 1HE LYS 18 -3.780 -10.427 3.234 136 HE3 LYS 18 2HE LYS 18 -3.915 -8.673 3.129 137 HZ1 LYS 18 3HZ LYS 18 -4.200 -9.771 0.958 138 HZ2 LYS 18 1HZ LYS 18 -2.717 -10.431 1.043 139 HZ3 LYS 18 2HZ LYS 18 -2.879 -8.809 0.910 140 H TYR 19 H TYR 19 -2.788 -4.186 2.375 141 HA TYR 19 HA TYR 19 -3.634 -2.344 4.565 142 HB2 TYR 19 1HB TYR 19 -2.605 -1.560 1.804 143 HB3 TYR 19 2HB TYR 19 -3.311 -0.453 2.978 144 HD1 TYR 19 1HD TYR 19 -2.139 0.107 5.084 145 HD2 TYR 19 2HD TYR 19 -0.338 -2.445 2.107 146 HE1 TYR 19 1HE TYR 19 0.016 0.195 6.317 147 HE2 TYR 19 2HE TYR 19 1.818 -2.371 3.354 148 HH TYR 19 HH TYR 19 2.141 -0.640 6.469 149 H SER 20 H SER 20 -5.672 -1.514 4.433 150 HA SER 20 HA SER 20 -7.599 -2.730 2.604 151 HB2 SER 20 1HB SER 20 -7.901 -0.574 4.724 152 HB3 SER 20 2HB SER 20 -9.233 -1.405 3.903 153 HG SER 20 HG SER 20 -8.530 -2.265 6.025 154 H ASP 21 H ASP 21 -5.613 0.048 2.352 155 HA ASP 21 HA ASP 21 -7.263 1.239 0.187 156 HB2 ASP 21 1HB ASP 21 -8.050 2.314 2.216 157 HB3 ASP 21 2HB ASP 21 -6.396 2.614 2.758 158 H VAL 22 H VAL 22 -6.124 2.333 -1.362 159 HA VAL 22 HA VAL 22 -3.319 1.732 -1.599 160 HB VAL 22 HB VAL 22 -4.931 1.835 -3.459 161 HG11 VAL 22 1HG1 VAL 22 -6.107 3.946 -2.960 162 HG12 VAL 22 2HG1 VAL 22 -4.630 4.852 -3.382 163 HG13 VAL 22 3HG1 VAL 22 -5.469 3.888 -4.606 164 HG21 VAL 22 3HG2 VAL 22 -2.494 1.800 -3.844 165 HG22 VAL 22 1HG2 VAL 22 -3.379 2.648 -5.123 166 HG23 VAL 22 2HG2 VAL 22 -2.490 3.577 -3.901 167 H LYS 23 H LYS 23 -4.987 4.656 -0.444 168 HA LYS 23 HA LYS 23 -2.616 6.279 -0.918 169 HB2 LYS 23 1HB LYS 23 -5.047 7.009 0.776 170 HB3 LYS 23 2HB LYS 23 -3.746 8.070 0.280 171 HG2 LYS 23 1HG LYS 23 -5.246 8.662 -1.319 172 HG3 LYS 23 2HG LYS 23 -4.426 7.365 -2.177 173 HD2 LYS 23 1HD LYS 23 -6.780 7.101 -2.534 174 HD3 LYS 23 2HD LYS 23 -6.305 5.812 -1.426 175 HE2 LYS 23 1HE LYS 23 -7.070 7.287 0.493 176 HE3 LYS 23 2HE LYS 23 -7.681 8.438 -0.705 177 HZ1 LYS 23 3HZ LYS 23 -9.112 6.606 -1.546 178 HZ2 LYS 23 1HZ LYS 23 -9.427 6.930 0.027 179 HZ3 LYS 23 2HZ LYS 23 -8.536 5.615 -0.364 180 H ASN 24 H ASN 24 -4.099 4.594 1.832 181 HA ASN 24 HA ASN 24 -2.081 5.275 3.780 182 HB2 ASN 24 1HB ASN 24 -4.006 2.938 3.510 183 HB3 ASN 24 2HB ASN 24 -2.885 3.090 4.861 184 HD21 ASN 24 1HD2 ASN 24 -5.652 3.034 5.293 185 HD22 ASN 24 2HD2 ASN 24 -6.115 4.618 5.895 186 H LEU 25 H LEU 25 -2.148 2.625 1.341 187 HA LEU 25 HA LEU 25 0.406 1.529 2.056 188 HB2 LEU 25 1HB LEU 25 -1.037 0.283 0.621 189 HB3 LEU 25 2HB LEU 25 -1.193 1.614 -0.517 190 HG LEU 25 HG LEU 25 1.170 1.381 -1.189 191 HD11 LEU 25 1HD1 LEU 25 2.124 0.404 0.892 192 HD12 LEU 25 2HD1 LEU 25 2.448 -0.593 -0.522 193 HD13 LEU 25 3HD1 LEU 25 1.178 -1.073 0.623 194 HD21 LEU 25 3HD2 LEU 25 0.928 -0.648 -2.453 195 HD22 LEU 25 1HD2 LEU 25 -0.648 0.156 -2.367 196 HD23 LEU 25 2HD2 LEU 25 -0.303 -1.258 -1.337 197 H ILE 26 H ILE 26 -0.415 4.164 -0.296 198 HA ILE 26 HA ILE 26 2.290 4.730 -1.013 199 HB ILE 26 HB ILE 26 -0.229 6.412 -1.069 200 HG12 ILE 26 1HG1 ILE 26 1.441 5.236 -3.342 201 HG13 ILE 26 2HG1 ILE 26 0.132 4.342 -2.587 202 HG21 ILE 26 1HG2 ILE 26 1.022 8.019 -2.525 203 HG22 ILE 26 2HG2 ILE 26 1.625 8.015 -0.879 204 HG23 ILE 26 3HG2 ILE 26 2.529 7.159 -2.152 205 HD11 ILE 26 3HD1 ILE 26 -0.168 6.961 -4.103 206 HD12 ILE 26 1HD1 ILE 26 -0.697 5.349 -4.602 207 HD13 ILE 26 2HD1 ILE 26 -1.477 6.140 -3.217 208 H LYS 27 H LYS 27 0.314 6.173 1.629 209 HA LYS 27 HA LYS 27 2.318 7.900 2.698 210 HB2 LYS 27 1HB LYS 27 -0.018 6.403 3.958 211 HB3 LYS 27 2HB LYS 27 0.980 7.530 4.876 212 HG2 LYS 27 1HG LYS 27 0.264 9.408 3.671 213 HG3 LYS 27 2HG LYS 27 -0.291 8.462 2.292 214 HD2 LYS 27 1HD LYS 27 -2.178 9.371 3.573 215 HD3 LYS 27 2HD LYS 27 -2.194 7.610 3.524 216 HE2 LYS 27 1HE LYS 27 -1.150 7.585 5.824 217 HE3 LYS 27 2HE LYS 27 -1.302 9.346 5.864 218 HZ1 LYS 27 3HZ LYS 27 -3.563 7.422 5.587 219 HZ2 LYS 27 1HZ LYS 27 -3.722 9.053 5.615 220 HZ3 LYS 27 2HZ LYS 27 -3.194 8.262 6.940 221 H HIS 28 H HIS 28 1.728 4.428 3.441 222 HA HIS 28 HA HIS 28 3.873 4.120 5.314 223 HB2 HIS 28 1HB HIS 28 2.255 2.396 5.166 224 HB3 HIS 28 2HB HIS 28 2.431 2.232 3.430 225 HD1 HIS 28 1HD HIS 28 4.321 1.298 6.642 226 HD2 HIS 28 2HD HIS 28 4.327 0.648 2.485 227 HE1 HIS 28 1HE HIS 28 5.927 -0.623 6.251 228 H ILE 29 H ILE 29 3.868 3.815 1.721 229 HA ILE 29 HA ILE 29 6.663 3.174 1.518 230 HB ILE 29 HB ILE 29 4.701 4.337 -0.478 231 HG12 ILE 29 1HG1 ILE 29 5.913 1.540 -0.347 232 HG13 ILE 29 2HG1 ILE 29 4.392 1.939 0.430 233 HG21 ILE 29 1HG2 ILE 29 6.343 3.764 -2.239 234 HG22 ILE 29 2HG2 ILE 29 6.996 4.983 -1.162 235 HG23 ILE 29 3HG2 ILE 29 7.513 3.291 -0.993 236 HD11 ILE 29 3HD1 ILE 29 4.930 2.079 -2.561 237 HD12 ILE 29 1HD1 ILE 29 3.921 0.918 -1.696 238 HD13 ILE 29 2HD1 ILE 29 3.430 2.622 -1.767 239 H ARG 30 H ARG 30 4.998 6.383 1.492 240 HA ARG 30 HA ARG 30 7.404 7.939 1.154 241 HB2 ARG 30 1HB ARG 30 4.889 8.703 2.712 242 HB3 ARG 30 2HB ARG 30 6.152 9.794 2.184 243 HG2 ARG 30 1HG ARG 30 4.034 8.450 0.526 244 HG3 ARG 30 2HG ARG 30 4.383 10.149 0.702 245 HD2 ARG 30 1HD ARG 30 6.084 8.114 -0.791 246 HD3 ARG 30 2HD ARG 30 4.981 9.300 -1.499 247 HE ARG 30 HE ARG 30 7.036 10.500 0.205 248 HH11 ARG 30 2HH1 ARG 30 6.368 9.528 -3.092 249 HH12 ARG 30 1HH1 ARG 30 7.549 10.627 -3.749 250 HH21 ARG 30 2HH2 ARG 30 8.558 11.839 -0.694 251 HH22 ARG 30 1HH2 ARG 30 8.777 11.873 -2.417 252 H ASP 31 H ASP 31 5.978 6.544 4.080 253 HA ASP 31 HA ASP 31 7.814 7.954 5.841 254 HB2 ASP 31 1HB ASP 31 5.451 7.375 6.381 255 HB3 ASP 31 2HB ASP 31 5.903 5.669 6.426 256 H MET 32 H MET 32 7.678 4.626 4.568 257 HA MET 32 HA MET 32 10.090 3.874 6.166 258 HB2 MET 32 1HB MET 32 7.927 2.209 4.824 259 HB3 MET 32 2HB MET 32 9.309 1.547 5.685 260 HG2 MET 32 1HG MET 32 7.164 3.324 6.902 261 HG3 MET 32 2HG MET 32 7.261 1.578 7.059 262 HE1 MET 32 3HE MET 32 10.315 0.999 9.415 263 HE2 MET 32 1HE MET 32 8.987 0.257 8.497 264 HE3 MET 32 2HE MET 32 10.378 0.970 7.644 265 H HIS 33 H HIS 33 9.139 4.291 2.803 266 HA HIS 33 HA HIS 33 11.673 3.015 1.877 267 HB2 HIS 33 1HB HIS 33 8.988 2.553 0.563 268 HB3 HIS 33 2HB HIS 33 10.504 1.722 0.244 269 HD1 HIS 33 1HD HIS 33 11.274 0.466 2.949 270 HD2 HIS 33 2HD HIS 33 7.328 0.978 1.614 271 HE1 HIS 33 1HE HIS 33 9.893 -1.255 4.211 272 H ASP 34 H ASP 34 11.299 5.798 2.131 273 HA ASP 34 HA ASP 34 10.016 7.085 0.070 274 HB2 ASP 34 1HB ASP 34 11.144 9.086 0.694 275 HB3 ASP 34 2HB ASP 34 10.756 8.157 2.131 276 HA PRO 35 HA PRO 35 12.658 6.458 -3.478 277 HB2 PRO 35 1HB PRO 35 11.449 8.056 -5.323 278 HB3 PRO 35 2HB PRO 35 10.693 6.557 -4.697 279 HG2 PRO 35 1HG PRO 35 10.212 9.410 -3.776 280 HG3 PRO 35 2HG PRO 35 8.995 8.159 -4.189 281 HD2 PRO 35 1HD PRO 35 9.775 8.657 -1.610 282 HD3 PRO 35 2HD PRO 35 9.352 7.009 -2.169 283 H GLN 36 H GLN 36 14.433 7.378 -4.462 284 HA GLN 36 HA GLN 36 15.063 10.239 -4.163 285 HB2 GLN 36 1HB GLN 36 16.839 7.985 -3.129 286 HB3 GLN 36 2HB GLN 36 17.354 9.654 -3.327 287 HG2 GLN 36 1HG GLN 36 15.170 8.689 -1.425 288 HG3 GLN 36 2HG GLN 36 16.813 9.093 -0.980 289 HE21 GLN 36 1HE2 GLN 36 14.462 10.328 0.155 290 HE22 GLN 36 2HE2 GLN 36 14.581 12.042 -0.265 291 H ASP 37 H ASP 37 16.144 10.988 -5.846 292 HA ASP 37 HA ASP 37 17.582 9.269 -7.775 293 HB2 ASP 37 1HB ASP 37 16.347 9.923 -9.667 294 HB3 ASP 37 2HB ASP 37 15.190 9.310 -8.506 Start of MODEL 16 1 H1 GLY 1 1H GLY 1 -12.852 -12.676 7.036 2 H2 GLY 1 2H GLY 1 -13.230 -13.573 8.358 3 H3 GLY 1 3H GLY 1 -14.241 -12.384 7.852 4 HA2 GLY 1 1HA GLY 1 -15.177 -14.475 7.215 5 HA3 GLY 1 2HA GLY 1 -14.662 -13.568 5.781 6 H SER 2 H SER 2 -14.830 -15.924 4.990 7 HA SER 2 HA SER 2 -12.915 -17.881 5.800 8 HB2 SER 2 1HB SER 2 -13.599 -19.059 3.714 9 HB3 SER 2 2HB SER 2 -14.938 -18.582 4.769 10 HG SER 2 HG SER 2 -15.357 -18.105 2.558 11 H SER 3 H SER 3 -11.093 -18.684 4.819 12 HA SER 3 HA SER 3 -8.976 -18.546 4.118 13 HB2 SER 3 1HB SER 3 -10.064 -17.013 1.742 14 HB3 SER 3 2HB SER 3 -8.480 -17.793 1.855 15 HG SER 3 HG SER 3 -11.026 -19.071 2.000 16 H GLY 4 H GLY 4 -10.206 -15.951 5.542 17 HA2 GLY 4 1HA GLY 4 -9.227 -14.176 6.625 18 HA3 GLY 4 2HA GLY 4 -7.655 -14.763 6.096 19 H SER 5 H SER 5 -7.319 -12.389 6.100 20 HA SER 5 HA SER 5 -7.028 -10.363 5.149 21 HB2 SER 5 1HB SER 5 -6.918 -11.944 2.568 22 HB3 SER 5 2HB SER 5 -6.247 -10.326 2.848 23 HG SER 5 HG SER 5 -5.519 -12.732 4.192 24 H SER 6 H SER 6 -9.808 -10.894 5.601 25 HA SER 6 HA SER 6 -11.438 -9.925 3.457 26 HB2 SER 6 1HB SER 6 -11.946 -9.724 6.449 27 HB3 SER 6 2HB SER 6 -13.153 -9.604 5.155 28 HG SER 6 HG SER 6 -12.542 -11.775 4.548 29 H GLY 7 H GLY 7 -11.952 -7.907 2.766 30 HA2 GLY 7 1HA GLY 7 -11.996 -5.613 2.568 31 HA3 GLY 7 2HA GLY 7 -11.634 -5.477 4.289 32 H ILE 8 H ILE 8 -9.306 -7.299 2.514 33 HA ILE 8 HA ILE 8 -7.385 -5.003 2.389 34 HB ILE 8 HB ILE 8 -7.061 -7.852 3.343 35 HG12 ILE 8 1HG1 ILE 8 -6.246 -5.190 4.587 36 HG13 ILE 8 2HG1 ILE 8 -7.760 -6.022 4.932 37 HG21 ILE 8 1HG2 ILE 8 -4.669 -7.606 3.436 38 HG22 ILE 8 2HG2 ILE 8 -5.179 -7.463 1.782 39 HG23 ILE 8 3HG2 ILE 8 -4.747 -5.991 2.690 40 HD11 ILE 8 3HD1 ILE 8 -6.244 -6.501 6.715 41 HD12 ILE 8 1HD1 ILE 8 -6.475 -7.992 5.783 42 HD13 ILE 8 2HD1 ILE 8 -4.979 -7.042 5.606 43 H LYS 9 H LYS 9 -6.021 -4.878 0.659 44 HA LYS 9 HA LYS 9 -6.021 -6.933 -1.457 45 HB2 LYS 9 1HB LYS 9 -8.049 -5.695 -2.038 46 HB3 LYS 9 2HB LYS 9 -7.201 -4.158 -1.928 47 HG2 LYS 9 1HG LYS 9 -7.581 -4.794 -4.243 48 HG3 LYS 9 2HG LYS 9 -5.860 -4.699 -3.890 49 HD2 LYS 9 1HD LYS 9 -5.729 -7.184 -3.770 50 HD3 LYS 9 2HD LYS 9 -7.479 -7.280 -4.011 51 HE2 LYS 9 1HE LYS 9 -6.393 -7.747 -6.112 52 HE3 LYS 9 2HE LYS 9 -7.237 -6.202 -6.236 53 HZ1 LYS 9 3HZ LYS 9 -5.084 -5.081 -5.899 54 HZ2 LYS 9 1HZ LYS 9 -5.004 -6.081 -7.187 55 HZ3 LYS 9 2HZ LYS 9 -4.314 -6.523 -5.776 56 H GLN 10 H GLN 10 -5.093 -3.519 -0.843 57 HA GLN 10 HA GLN 10 -2.725 -3.769 -2.518 58 HB2 GLN 10 1HB GLN 10 -3.628 -1.548 -0.641 59 HB3 GLN 10 2HB GLN 10 -2.262 -1.450 -1.751 60 HG2 GLN 10 1HG GLN 10 -5.186 -1.818 -2.549 61 HG3 GLN 10 2HG GLN 10 -4.236 -0.350 -2.701 62 HE21 GLN 10 1HE2 GLN 10 -2.270 -0.459 -4.222 63 HE22 GLN 10 2HE2 GLN 10 -2.425 -1.532 -5.602 64 H HIS 11 H HIS 11 -0.618 -4.072 -1.960 65 HA HIS 11 HA HIS 11 0.136 -4.230 0.870 66 HB2 HIS 11 1HB HIS 11 1.063 -6.525 0.611 67 HB3 HIS 11 2HB HIS 11 -0.690 -6.445 0.558 68 HD1 HIS 11 1HD HIS 11 -1.829 -6.788 -1.979 69 HD2 HIS 11 2HD HIS 11 2.273 -7.636 -1.462 70 HE1 HIS 11 1HE HIS 11 -1.109 -8.133 -4.019 71 H CYS 12 H CYS 12 2.325 -4.172 1.297 72 HA CYS 12 HA CYS 12 3.643 -2.303 -0.313 73 HB2 CYS 12 1HB CYS 12 3.790 -2.460 2.106 74 HB3 CYS 12 2HB CYS 12 4.667 -3.991 1.981 75 H ARG 13 H ARG 13 5.365 -2.199 -1.532 76 HA ARG 13 HA ARG 13 6.092 -4.543 -3.174 77 HB2 ARG 13 1HB ARG 13 7.080 -1.661 -3.291 78 HB3 ARG 13 2HB ARG 13 7.369 -2.897 -4.498 79 HG2 ARG 13 1HG ARG 13 4.693 -1.613 -3.779 80 HG3 ARG 13 2HG ARG 13 5.712 -1.265 -5.168 81 HD2 ARG 13 1HD ARG 13 4.216 -2.635 -6.110 82 HD3 ARG 13 2HD ARG 13 5.482 -3.805 -5.730 83 HE ARG 13 HE ARG 13 3.399 -3.488 -3.662 84 HH11 ARG 13 2HH1 ARG 13 4.215 -5.372 -6.516 85 HH12 ARG 13 1HH1 ARG 13 3.111 -6.646 -6.071 86 HH21 ARG 13 2HH2 ARG 13 2.060 -5.074 -3.190 87 HH22 ARG 13 1HH2 ARG 13 1.932 -6.510 -4.179 88 H PHE 14 H PHE 14 7.343 -3.049 -0.365 89 HA PHE 14 HA PHE 14 10.115 -4.083 -0.860 90 HB2 PHE 14 1HB PHE 14 9.202 -1.859 0.968 91 HB3 PHE 14 2HB PHE 14 10.857 -2.288 0.585 92 HD1 PHE 14 2HD PHE 14 11.835 -1.713 -1.630 93 HD2 PHE 14 1HD PHE 14 7.818 -0.548 -0.570 94 HE1 PHE 14 2HE PHE 14 11.818 -0.061 -3.487 95 HE2 PHE 14 1HE PHE 14 7.808 1.102 -2.425 96 HZ PHE 14 HZ PHE 14 9.809 1.351 -3.882 97 H CYS 15 H CYS 15 7.502 -4.042 1.561 98 HA CYS 15 HA CYS 15 8.965 -6.121 3.109 99 HB2 CYS 15 1HB CYS 15 8.519 -5.062 5.189 100 HB3 CYS 15 2HB CYS 15 9.354 -3.923 4.142 101 H LYS 16 H LYS 16 6.323 -5.692 1.354 102 HA LYS 16 HA LYS 16 4.320 -6.677 1.083 103 HB2 LYS 16 1HB LYS 16 5.697 -8.951 2.532 104 HB3 LYS 16 2HB LYS 16 4.285 -9.091 1.475 105 HG2 LYS 16 1HG LYS 16 5.610 -8.128 -0.411 106 HG3 LYS 16 2HG LYS 16 7.053 -8.140 0.611 107 HD2 LYS 16 1HD LYS 16 5.420 -10.591 -0.171 108 HD3 LYS 16 2HD LYS 16 6.935 -10.070 -0.925 109 HE2 LYS 16 1HE LYS 16 8.103 -10.307 1.267 110 HE3 LYS 16 2HE LYS 16 6.601 -10.884 1.999 111 HZ1 LYS 16 3HZ LYS 16 8.038 -12.232 -0.226 112 HZ2 LYS 16 1HZ LYS 16 6.647 -12.765 0.445 113 HZ3 LYS 16 2HZ LYS 16 8.019 -12.732 1.325 114 H LYS 17 H LYS 17 4.519 -5.210 3.798 115 HA LYS 17 HA LYS 17 2.428 -6.335 5.424 116 HB2 LYS 17 1HB LYS 17 3.320 -3.450 5.018 117 HB3 LYS 17 2HB LYS 17 2.075 -3.968 6.166 118 HG2 LYS 17 1HG LYS 17 3.737 -5.446 7.299 119 HG3 LYS 17 2HG LYS 17 4.980 -4.901 6.169 120 HD2 LYS 17 1HD LYS 17 5.242 -3.683 8.224 121 HD3 LYS 17 2HD LYS 17 4.662 -2.555 6.987 122 HE2 LYS 17 1HE LYS 17 2.371 -2.700 7.878 123 HE3 LYS 17 2HE LYS 17 2.873 -3.942 9.034 124 HZ1 LYS 17 3HZ LYS 17 2.775 -1.758 10.077 125 HZ2 LYS 17 1HZ LYS 17 3.851 -1.136 9.019 126 HZ3 LYS 17 2HZ LYS 17 4.317 -2.286 10.085 127 H LYS 18 H LYS 18 0.268 -5.757 5.602 128 HA LYS 18 HA LYS 18 -1.087 -5.484 2.959 129 HB2 LYS 18 1HB LYS 18 -1.657 -6.920 5.565 130 HB3 LYS 18 2HB LYS 18 -2.936 -6.634 4.388 131 HG2 LYS 18 1HG LYS 18 -1.689 -7.839 2.648 132 HG3 LYS 18 2HG LYS 18 -0.332 -8.097 3.762 133 HD2 LYS 18 1HD LYS 18 -1.748 -9.460 5.237 134 HD3 LYS 18 2HD LYS 18 -3.165 -9.147 4.218 135 HE2 LYS 18 1HE LYS 18 -2.004 -10.232 2.294 136 HE3 LYS 18 2HE LYS 18 -0.628 -10.595 3.345 137 HZ1 LYS 18 3HZ LYS 18 -3.403 -11.607 3.746 138 HZ2 LYS 18 1HZ LYS 18 -2.132 -11.946 4.718 139 HZ3 LYS 18 2HZ LYS 18 -2.149 -12.487 3.179 140 H TYR 19 H TYR 19 -2.701 -4.132 2.534 141 HA TYR 19 HA TYR 19 -3.754 -2.298 4.625 142 HB2 TYR 19 1HB TYR 19 -2.522 -1.509 1.956 143 HB3 TYR 19 2HB TYR 19 -3.411 -0.419 3.011 144 HD1 TYR 19 1HD TYR 19 -2.527 0.228 5.240 145 HD2 TYR 19 2HD TYR 19 -0.232 -2.213 2.520 146 HE1 TYR 19 1HE TYR 19 -0.511 0.539 6.662 147 HE2 TYR 19 2HE TYR 19 1.790 -1.892 3.949 148 HH TYR 19 HH TYR 19 1.663 -0.019 7.002 149 H SER 20 H SER 20 -5.696 -1.273 4.191 150 HA SER 20 HA SER 20 -7.585 -2.756 2.505 151 HB2 SER 20 1HB SER 20 -9.245 -1.336 3.718 152 HB3 SER 20 2HB SER 20 -8.200 -2.297 4.781 153 HG SER 20 HG SER 20 -8.402 -0.107 5.486 154 H ASP 21 H ASP 21 -5.778 0.177 2.196 155 HA ASP 21 HA ASP 21 -7.247 0.930 -0.254 156 HB2 ASP 21 1HB ASP 21 -8.313 2.131 1.696 157 HB3 ASP 21 2HB ASP 21 -6.760 2.899 2.019 158 H VAL 22 H VAL 22 -6.019 2.133 -1.728 159 HA VAL 22 HA VAL 22 -3.213 1.663 -1.728 160 HB VAL 22 HB VAL 22 -4.704 1.950 -3.707 161 HG11 VAL 22 1HG1 VAL 22 -5.847 4.074 -3.058 162 HG12 VAL 22 2HG1 VAL 22 -4.325 4.943 -3.375 163 HG13 VAL 22 3HG1 VAL 22 -5.153 4.092 -4.686 164 HG21 VAL 22 3HG2 VAL 22 -2.198 3.652 -3.770 165 HG22 VAL 22 1HG2 VAL 22 -2.246 1.885 -3.903 166 HG23 VAL 22 2HG2 VAL 22 -3.000 2.888 -5.154 167 H LYS 23 H LYS 23 -5.037 4.540 -0.641 168 HA LYS 23 HA LYS 23 -2.716 6.245 -0.733 169 HB2 LYS 23 1HB LYS 23 -5.348 6.568 0.777 170 HB3 LYS 23 2HB LYS 23 -4.118 7.827 0.614 171 HG2 LYS 23 1HG LYS 23 -4.361 7.795 -1.845 172 HG3 LYS 23 2HG LYS 23 -5.589 6.522 -1.723 173 HD2 LYS 23 1HD LYS 23 -7.037 8.023 -0.394 174 HD3 LYS 23 2HD LYS 23 -5.820 9.315 -0.525 175 HE2 LYS 23 1HE LYS 23 -6.029 9.252 -3.002 176 HE3 LYS 23 2HE LYS 23 -7.232 7.962 -2.871 177 HZ1 LYS 23 3HZ LYS 23 -8.669 9.516 -1.661 178 HZ2 LYS 23 1HZ LYS 23 -8.289 10.132 -3.121 179 HZ3 LYS 23 2HZ LYS 23 -7.559 10.709 -1.783 180 H ASN 24 H ASN 24 -4.126 4.217 1.777 181 HA ASN 24 HA ASN 24 -2.397 5.023 3.952 182 HB2 ASN 24 1HB ASN 24 -3.925 2.436 3.397 183 HB3 ASN 24 2HB ASN 24 -3.085 2.793 4.904 184 HD21 ASN 24 1HD2 ASN 24 -5.804 2.199 4.941 185 HD22 ASN 24 2HD2 ASN 24 -6.660 3.664 5.383 186 H LEU 25 H LEU 25 -2.088 2.533 1.378 187 HA LEU 25 HA LEU 25 0.473 1.599 2.289 188 HB2 LEU 25 1HB LEU 25 -0.887 0.199 0.881 189 HB3 LEU 25 2HB LEU 25 -0.934 1.418 -0.395 190 HG LEU 25 HG LEU 25 1.470 1.162 -0.798 191 HD11 LEU 25 1HD1 LEU 25 2.123 0.410 1.560 192 HD12 LEU 25 2HD1 LEU 25 2.833 -0.484 0.239 193 HD13 LEU 25 3HD1 LEU 25 1.469 -1.183 1.143 194 HD21 LEU 25 3HD2 LEU 25 -0.009 -1.484 -0.783 195 HD22 LEU 25 1HD2 LEU 25 1.430 -1.097 -1.752 196 HD23 LEU 25 2HD2 LEU 25 -0.089 -0.237 -2.051 197 H ILE 26 H ILE 26 -0.407 4.147 -0.136 198 HA ILE 26 HA ILE 26 2.295 4.764 -0.849 199 HB ILE 26 HB ILE 26 -0.228 6.448 -0.906 200 HG12 ILE 26 1HG1 ILE 26 1.400 5.218 -3.185 201 HG13 ILE 26 2HG1 ILE 26 0.065 4.372 -2.424 202 HG21 ILE 26 1HG2 ILE 26 1.051 8.018 -2.393 203 HG22 ILE 26 2HG2 ILE 26 1.678 8.012 -0.758 204 HG23 ILE 26 3HG2 ILE 26 2.536 7.114 -2.032 205 HD11 ILE 26 3HD1 ILE 26 -0.716 5.410 -4.457 206 HD12 ILE 26 1HD1 ILE 26 -1.492 6.201 -3.071 207 HD13 ILE 26 2HD1 ILE 26 -0.161 7.002 -3.940 208 H LYS 27 H LYS 27 0.267 6.100 1.807 209 HA LYS 27 HA LYS 27 2.264 7.860 2.881 210 HB2 LYS 27 1HB LYS 27 -0.096 6.401 4.137 211 HB3 LYS 27 2HB LYS 27 0.929 7.519 5.046 212 HG2 LYS 27 1HG LYS 27 0.381 9.364 3.569 213 HG3 LYS 27 2HG LYS 27 -0.540 8.307 2.491 214 HD2 LYS 27 1HD LYS 27 -2.134 7.810 4.333 215 HD3 LYS 27 2HD LYS 27 -1.214 8.885 5.411 216 HE2 LYS 27 1HE LYS 27 -1.638 10.784 3.854 217 HE3 LYS 27 2HE LYS 27 -2.570 9.710 2.802 218 HZ1 LYS 27 3HZ LYS 27 -4.133 9.374 4.651 219 HZ2 LYS 27 1HZ LYS 27 -4.020 10.962 4.295 220 HZ3 LYS 27 2HZ LYS 27 -3.270 10.373 5.615 221 H HIS 28 H HIS 28 1.729 4.367 3.515 222 HA HIS 28 HA HIS 28 3.879 4.080 5.407 223 HB2 HIS 28 1HB HIS 28 2.294 2.328 5.284 224 HB3 HIS 28 2HB HIS 28 2.443 2.169 3.545 225 HD1 HIS 28 1HD HIS 28 4.478 1.338 6.707 226 HD2 HIS 28 2HD HIS 28 4.298 0.564 2.580 227 HE1 HIS 28 1HE HIS 28 6.152 -0.521 6.279 228 H ILE 29 H ILE 29 3.855 3.607 1.825 229 HA ILE 29 HA ILE 29 6.601 2.924 1.579 230 HB ILE 29 HB ILE 29 4.660 4.197 -0.374 231 HG12 ILE 29 1HG1 ILE 29 5.807 1.365 -0.315 232 HG13 ILE 29 2HG1 ILE 29 4.300 1.794 0.475 233 HG21 ILE 29 1HG2 ILE 29 6.276 3.597 -2.181 234 HG22 ILE 29 2HG2 ILE 29 6.932 4.818 -1.115 235 HG23 ILE 29 3HG2 ILE 29 7.462 3.129 -0.947 236 HD11 ILE 29 3HD1 ILE 29 4.842 1.950 -2.513 237 HD12 ILE 29 1HD1 ILE 29 3.776 0.832 -1.664 238 HD13 ILE 29 2HD1 ILE 29 3.371 2.563 -1.720 239 H ARG 30 H ARG 30 5.082 6.187 1.435 240 HA ARG 30 HA ARG 30 7.683 7.457 1.108 241 HB2 ARG 30 1HB ARG 30 4.947 8.665 1.623 242 HB3 ARG 30 2HB ARG 30 6.435 9.571 1.306 243 HG2 ARG 30 1HG ARG 30 6.642 8.050 -0.831 244 HG3 ARG 30 2HG ARG 30 4.923 7.739 -0.583 245 HD2 ARG 30 1HD ARG 30 4.456 10.153 -0.651 246 HD3 ARG 30 2HD ARG 30 6.181 10.512 -0.807 247 HE ARG 30 HE ARG 30 4.368 9.675 -2.907 248 HH11 ARG 30 2HH1 ARG 30 7.837 9.503 -2.078 249 HH12 ARG 30 1HH1 ARG 30 8.263 9.557 -3.762 250 HH21 ARG 30 2HH2 ARG 30 5.073 9.636 -4.991 251 HH22 ARG 30 1HH2 ARG 30 6.772 9.561 -5.344 252 H ASP 31 H ASP 31 6.320 6.196 3.892 253 HA ASP 31 HA ASP 31 7.925 8.001 5.644 254 HB2 ASP 31 1HB ASP 31 5.571 7.486 6.244 255 HB3 ASP 31 2HB ASP 31 5.996 5.775 6.375 256 H MET 32 H MET 32 7.792 4.635 4.499 257 HA MET 32 HA MET 32 10.181 3.929 6.145 258 HB2 MET 32 1HB MET 32 8.032 2.246 4.809 259 HB3 MET 32 2HB MET 32 9.400 1.590 5.696 260 HG2 MET 32 1HG MET 32 7.246 3.398 6.849 261 HG3 MET 32 2HG MET 32 7.349 1.658 7.057 262 HE1 MET 32 3HE MET 32 10.482 1.109 7.678 263 HE2 MET 32 1HE MET 32 10.399 1.173 9.449 264 HE3 MET 32 2HE MET 32 9.095 0.389 8.532 265 H HIS 33 H HIS 33 9.274 4.207 2.747 266 HA HIS 33 HA HIS 33 11.847 2.933 1.919 267 HB2 HIS 33 1HB HIS 33 9.199 2.472 0.535 268 HB3 HIS 33 2HB HIS 33 10.708 1.604 0.298 269 HD1 HIS 33 1HD HIS 33 11.382 0.408 3.047 270 HD2 HIS 33 2HD HIS 33 7.485 0.925 1.576 271 HE1 HIS 33 1HE HIS 33 9.944 -1.279 4.296 272 H ASP 34 H ASP 34 10.728 5.853 1.949 273 HA ASP 34 HA ASP 34 9.975 6.638 -0.593 274 HB2 ASP 34 1HB ASP 34 9.804 7.920 1.549 275 HB3 ASP 34 2HB ASP 34 11.491 8.373 1.368 276 HA PRO 35 HA PRO 35 13.706 6.112 -2.960 277 HB2 PRO 35 1HB PRO 35 12.467 8.147 -4.819 278 HB3 PRO 35 2HB PRO 35 13.251 6.583 -5.216 279 HG2 PRO 35 1HG PRO 35 10.554 6.752 -5.139 280 HG3 PRO 35 2HG PRO 35 11.373 5.352 -4.370 281 HD2 PRO 35 1HD PRO 35 10.296 7.859 -3.048 282 HD3 PRO 35 2HD PRO 35 10.123 6.144 -2.565 283 H GLN 36 H GLN 36 15.711 6.985 -3.245 284 HA GLN 36 HA GLN 36 16.250 9.620 -2.037 285 HB2 GLN 36 1HB GLN 36 18.087 7.381 -2.971 286 HB3 GLN 36 2HB GLN 36 18.615 8.869 -2.170 287 HG2 GLN 36 1HG GLN 36 17.234 8.295 -0.181 288 HG3 GLN 36 2HG GLN 36 16.759 6.778 -0.947 289 HE21 GLN 36 1HE2 GLN 36 17.821 6.317 1.405 290 HE22 GLN 36 2HE2 GLN 36 19.505 5.824 1.288 291 H ASP 37 H ASP 37 15.784 8.517 -5.220 292 HA ASP 37 HA ASP 37 16.867 11.005 -6.400 293 HB2 ASP 37 1HB ASP 37 18.707 9.377 -6.579 294 HB3 ASP 37 2HB ASP 37 17.632 8.216 -7.351 Start of MODEL 17 1 H1 GLY 1 1H GLY 1 -16.758 -13.454 3.778 2 H2 GLY 1 2H GLY 1 -16.106 -14.058 5.152 3 H3 GLY 1 3H GLY 1 -15.318 -14.236 3.726 4 HA2 GLY 1 1HA GLY 1 -14.265 -12.515 5.041 5 HA3 GLY 1 2HA GLY 1 -14.952 -11.873 3.537 6 H SER 2 H SER 2 -14.397 -10.471 6.072 7 HA SER 2 HA SER 2 -16.776 -9.996 7.566 8 HB2 SER 2 1HB SER 2 -14.365 -8.183 7.179 9 HB3 SER 2 2HB SER 2 -15.581 -8.058 8.466 10 HG SER 2 HG SER 2 -13.702 -9.204 9.149 11 H SER 3 H SER 3 -18.438 -8.561 7.394 12 HA SER 3 HA SER 3 -19.108 -7.505 4.828 13 HB2 SER 3 1HB SER 3 -21.091 -6.587 6.019 14 HB3 SER 3 2HB SER 3 -20.800 -8.304 6.338 15 HG SER 3 HG SER 3 -21.260 -7.119 8.263 16 H GLY 4 H GLY 4 -17.450 -5.990 7.509 17 HA2 GLY 4 1HA GLY 4 -17.819 -3.234 6.658 18 HA3 GLY 4 2HA GLY 4 -16.665 -3.842 7.846 19 H SER 5 H SER 5 -15.943 -5.713 5.253 20 HA SER 5 HA SER 5 -13.777 -3.872 4.337 21 HB2 SER 5 1HB SER 5 -13.882 -6.904 4.375 22 HB3 SER 5 2HB SER 5 -12.528 -5.912 3.808 23 HG SER 5 HG SER 5 -12.219 -6.565 5.973 24 H SER 6 H SER 6 -13.298 -3.570 2.197 25 HA SER 6 HA SER 6 -15.366 -4.164 0.211 26 HB2 SER 6 1HB SER 6 -14.025 -2.746 -1.239 27 HB3 SER 6 2HB SER 6 -14.217 -1.979 0.348 28 HG SER 6 HG SER 6 -12.055 -1.848 -0.232 29 H GLY 7 H GLY 7 -12.304 -5.554 1.115 30 HA2 GLY 7 1HA GLY 7 -11.217 -7.472 0.347 31 HA3 GLY 7 2HA GLY 7 -12.376 -7.619 -0.976 32 H ILE 8 H ILE 8 -11.324 -4.448 -1.114 33 HA ILE 8 HA ILE 8 -9.526 -5.074 -3.364 34 HB ILE 8 HB ILE 8 -10.515 -2.311 -2.643 35 HG12 ILE 8 1HG1 ILE 8 -11.974 -4.392 -4.342 36 HG13 ILE 8 2HG1 ILE 8 -12.519 -3.760 -2.792 37 HG21 ILE 8 1HG2 ILE 8 -8.672 -2.630 -4.386 38 HG22 ILE 8 2HG2 ILE 8 -9.812 -3.594 -5.335 39 HG23 ILE 8 3HG2 ILE 8 -10.119 -1.872 -5.017 40 HD11 ILE 8 3HD1 ILE 8 -12.344 -2.200 -5.381 41 HD12 ILE 8 1HD1 ILE 8 -13.785 -2.664 -4.468 42 HD13 ILE 8 2HD1 ILE 8 -12.664 -1.470 -3.785 43 H LYS 9 H LYS 9 -8.284 -5.842 -1.204 44 HA LYS 9 HA LYS 9 -6.727 -3.852 0.193 45 HB2 LYS 9 1HB LYS 9 -5.584 -5.712 1.236 46 HB3 LYS 9 2HB LYS 9 -7.327 -5.982 1.223 47 HG2 LYS 9 1HG LYS 9 -7.079 -7.527 -0.716 48 HG3 LYS 9 2HG LYS 9 -5.329 -7.242 -0.718 49 HD2 LYS 9 1HD LYS 9 -5.178 -8.167 1.584 50 HD3 LYS 9 2HD LYS 9 -6.933 -8.469 1.568 51 HE2 LYS 9 1HE LYS 9 -6.637 -9.937 -0.431 52 HE3 LYS 9 2HE LYS 9 -4.893 -9.648 -0.375 53 HZ1 LYS 9 3HZ LYS 9 -4.859 -10.701 1.825 54 HZ2 LYS 9 1HZ LYS 9 -5.485 -11.732 0.726 55 HZ3 LYS 9 2HZ LYS 9 -6.472 -10.966 1.773 56 H GLN 10 H GLN 10 -4.505 -3.583 0.264 57 HA GLN 10 HA GLN 10 -3.084 -3.821 -2.360 58 HB2 GLN 10 1HB GLN 10 -3.119 -1.417 -0.491 59 HB3 GLN 10 2HB GLN 10 -2.348 -1.527 -2.074 60 HG2 GLN 10 1HG GLN 10 -5.349 -1.560 -1.532 61 HG3 GLN 10 2HG GLN 10 -4.421 -0.220 -2.156 62 HE21 GLN 10 1HE2 GLN 10 -6.663 -2.146 -3.276 63 HE22 GLN 10 2HE2 GLN 10 -6.040 -2.437 -4.901 64 H HIS 11 H HIS 11 -0.925 -4.340 -2.251 65 HA HIS 11 HA HIS 11 0.195 -4.923 0.466 66 HB2 HIS 11 1HB HIS 11 0.799 -6.347 -2.134 67 HB3 HIS 11 2HB HIS 11 1.314 -6.808 -0.518 68 HD1 HIS 11 1HD HIS 11 -0.276 -8.795 -2.412 69 HD2 HIS 11 2HD HIS 11 -1.951 -6.376 0.593 70 HE1 HIS 11 1HE HIS 11 -2.458 -9.912 -1.724 71 H CYS 12 H CYS 12 2.261 -4.390 0.970 72 HA CYS 12 HA CYS 12 3.723 -2.410 -0.534 73 HB2 CYS 12 1HB CYS 12 3.671 -2.526 1.910 74 HB3 CYS 12 2HB CYS 12 4.436 -4.124 1.870 75 H ARG 13 H ARG 13 5.545 -2.527 -1.651 76 HA ARG 13 HA ARG 13 6.234 -5.107 -2.962 77 HB2 ARG 13 1HB ARG 13 7.412 -2.368 -3.543 78 HB3 ARG 13 2HB ARG 13 7.396 -3.783 -4.591 79 HG2 ARG 13 1HG ARG 13 5.052 -2.000 -3.823 80 HG3 ARG 13 2HG ARG 13 5.836 -2.092 -5.389 81 HD2 ARG 13 1HD ARG 13 4.633 -3.884 -6.050 82 HD3 ARG 13 2HD ARG 13 4.827 -4.728 -4.529 83 HE ARG 13 HE ARG 13 2.921 -3.695 -3.606 84 HH11 ARG 13 2HH1 ARG 13 3.274 -2.600 -6.928 85 HH12 ARG 13 1HH1 ARG 13 1.666 -1.925 -6.941 86 HH21 ARG 13 2HH2 ARG 13 1.022 -2.822 -3.666 87 HH22 ARG 13 1HH2 ARG 13 0.379 -2.065 -5.116 88 H PHE 14 H PHE 14 7.471 -3.053 -0.494 89 HA PHE 14 HA PHE 14 10.251 -4.060 -0.798 90 HB2 PHE 14 1HB PHE 14 9.175 -1.846 0.951 91 HB3 PHE 14 2HB PHE 14 10.855 -2.156 0.561 92 HD1 PHE 14 2HD PHE 14 11.728 -1.647 -1.737 93 HD2 PHE 14 1HD PHE 14 7.696 -0.652 -0.570 94 HE1 PHE 14 2HE PHE 14 11.544 -0.095 -3.671 95 HE2 PHE 14 1HE PHE 14 7.518 0.900 -2.500 96 HZ PHE 14 HZ PHE 14 9.443 1.180 -4.052 97 H CYS 15 H CYS 15 7.605 -4.034 1.584 98 HA CYS 15 HA CYS 15 9.104 -6.026 3.207 99 HB2 CYS 15 1HB CYS 15 8.658 -4.947 5.232 100 HB3 CYS 15 2HB CYS 15 9.387 -3.766 4.158 101 H LYS 16 H LYS 16 6.468 -5.720 1.410 102 HA LYS 16 HA LYS 16 4.592 -6.925 1.061 103 HB2 LYS 16 1HB LYS 16 6.317 -8.914 2.537 104 HB3 LYS 16 2HB LYS 16 4.735 -9.354 1.927 105 HG2 LYS 16 1HG LYS 16 6.355 -10.026 0.339 106 HG3 LYS 16 2HG LYS 16 5.357 -8.755 -0.361 107 HD2 LYS 16 1HD LYS 16 7.167 -7.135 -0.153 108 HD3 LYS 16 2HD LYS 16 8.149 -8.290 0.785 109 HE2 LYS 16 1HE LYS 16 8.181 -9.818 -1.177 110 HE3 LYS 16 2HE LYS 16 7.210 -8.667 -2.099 111 HZ1 LYS 16 3HZ LYS 16 9.929 -8.103 -1.032 112 HZ2 LYS 16 1HZ LYS 16 9.033 -7.070 -1.944 113 HZ3 LYS 16 2HZ LYS 16 9.589 -8.464 -2.585 114 H LYS 17 H LYS 17 4.680 -5.398 3.784 115 HA LYS 17 HA LYS 17 2.432 -6.495 5.240 116 HB2 LYS 17 1HB LYS 17 3.456 -3.634 5.077 117 HB3 LYS 17 2HB LYS 17 2.230 -4.250 6.208 118 HG2 LYS 17 1HG LYS 17 3.857 -5.768 7.239 119 HG3 LYS 17 2HG LYS 17 5.072 -5.333 6.028 120 HD2 LYS 17 1HD LYS 17 4.915 -2.934 6.854 121 HD3 LYS 17 2HD LYS 17 3.892 -3.516 8.169 122 HE2 LYS 17 1HE LYS 17 6.210 -3.251 8.905 123 HE3 LYS 17 2HE LYS 17 5.725 -4.947 8.994 124 HZ1 LYS 17 3HZ LYS 17 7.971 -4.509 7.957 125 HZ2 LYS 17 1HZ LYS 17 7.201 -3.849 6.654 126 HZ3 LYS 17 2HZ LYS 17 6.971 -5.410 7.028 127 H LYS 18 H LYS 18 0.356 -5.305 5.443 128 HA LYS 18 HA LYS 18 -0.778 -4.804 2.713 129 HB2 LYS 18 1HB LYS 18 -1.699 -6.743 4.857 130 HB3 LYS 18 2HB LYS 18 -2.535 -6.446 3.307 131 HG2 LYS 18 1HG LYS 18 -0.355 -7.141 2.152 132 HG3 LYS 18 2HG LYS 18 0.246 -7.635 3.734 133 HD2 LYS 18 1HD LYS 18 -1.450 -9.340 3.958 134 HD3 LYS 18 2HD LYS 18 -2.253 -8.795 2.477 135 HE2 LYS 18 1HE LYS 18 -0.908 -10.774 2.000 136 HE3 LYS 18 2HE LYS 18 -0.282 -9.374 1.129 137 HZ1 LYS 18 3HZ LYS 18 1.498 -9.192 2.789 138 HZ2 LYS 18 1HZ LYS 18 1.488 -10.701 2.174 139 HZ3 LYS 18 2HZ LYS 18 0.873 -10.435 3.659 140 H TYR 19 H TYR 19 -2.483 -3.550 2.484 141 HA TYR 19 HA TYR 19 -3.736 -2.201 4.838 142 HB2 TYR 19 1HB TYR 19 -2.462 -0.919 2.387 143 HB3 TYR 19 2HB TYR 19 -3.559 -0.067 3.456 144 HD1 TYR 19 1HD TYR 19 -2.963 0.413 5.817 145 HD2 TYR 19 2HD TYR 19 -0.145 -1.377 3.082 146 HE1 TYR 19 1HE TYR 19 -1.109 0.933 7.390 147 HE2 TYR 19 2HE TYR 19 1.713 -0.862 4.672 148 HH TYR 19 HH TYR 19 1.118 0.751 7.822 149 H SER 20 H SER 20 -5.866 -1.519 4.543 150 HA SER 20 HA SER 20 -7.400 -2.857 2.463 151 HB2 SER 20 1HB SER 20 -8.316 -0.883 4.581 152 HB3 SER 20 2HB SER 20 -9.343 -1.972 3.630 153 HG SER 20 HG SER 20 -8.859 -2.820 5.717 154 H ASP 21 H ASP 21 -5.684 -0.042 2.256 155 HA ASP 21 HA ASP 21 -7.336 1.156 0.119 156 HB2 ASP 21 1HB ASP 21 -8.256 2.280 2.011 157 HB3 ASP 21 2HB ASP 21 -6.682 2.429 2.795 158 H VAL 22 H VAL 22 -6.150 2.378 -1.351 159 HA VAL 22 HA VAL 22 -3.316 1.764 -1.410 160 HB VAL 22 HB VAL 22 -4.940 1.828 -3.357 161 HG11 VAL 22 1HG1 VAL 22 -5.152 3.780 -4.694 162 HG12 VAL 22 2HG1 VAL 22 -5.768 4.155 -3.078 163 HG13 VAL 22 3HG1 VAL 22 -4.152 4.731 -3.588 164 HG21 VAL 22 3HG2 VAL 22 -2.217 3.119 -3.706 165 HG22 VAL 22 1HG2 VAL 22 -2.539 1.374 -3.584 166 HG23 VAL 22 2HG2 VAL 22 -3.162 2.292 -4.962 167 H LYS 23 H LYS 23 -5.104 4.692 -0.484 168 HA LYS 23 HA LYS 23 -2.772 6.381 -0.826 169 HB2 LYS 23 1HB LYS 23 -5.413 6.805 0.637 170 HB3 LYS 23 2HB LYS 23 -4.068 7.892 0.887 171 HG2 LYS 23 1HG LYS 23 -5.440 8.909 -0.727 172 HG3 LYS 23 2HG LYS 23 -3.953 8.415 -1.512 173 HD2 LYS 23 1HD LYS 23 -5.898 8.036 -2.958 174 HD3 LYS 23 2HD LYS 23 -5.069 6.540 -2.580 175 HE2 LYS 23 1HE LYS 23 -7.430 6.111 -2.485 176 HE3 LYS 23 2HE LYS 23 -6.799 6.028 -0.839 177 HZ1 LYS 23 3HZ LYS 23 -8.860 7.292 -0.944 178 HZ2 LYS 23 1HZ LYS 23 -8.229 8.361 -2.002 179 HZ3 LYS 23 2HZ LYS 23 -7.656 8.284 -0.471 180 H ASN 24 H ASN 24 -4.179 4.546 1.842 181 HA ASN 24 HA ASN 24 -2.249 5.192 3.869 182 HB2 ASN 24 1HB ASN 24 -4.138 2.856 3.396 183 HB3 ASN 24 2HB ASN 24 -2.983 2.844 4.727 184 HD21 ASN 24 1HD2 ASN 24 -5.704 4.788 3.371 185 HD22 ASN 24 2HD2 ASN 24 -6.125 5.467 4.946 186 H LEU 25 H LEU 25 -2.195 2.557 1.377 187 HA LEU 25 HA LEU 25 0.375 1.570 2.169 188 HB2 LEU 25 1HB LEU 25 -1.077 0.234 0.772 189 HB3 LEU 25 2HB LEU 25 -1.099 1.471 -0.483 190 HG LEU 25 HG LEU 25 1.329 1.122 -0.893 191 HD11 LEU 25 1HD1 LEU 25 1.984 0.269 1.380 192 HD12 LEU 25 2HD1 LEU 25 2.512 -0.761 0.061 193 HD13 LEU 25 3HD1 LEU 25 1.101 -1.237 1.031 194 HD21 LEU 25 3HD2 LEU 25 -0.240 -1.462 -1.003 195 HD22 LEU 25 1HD2 LEU 25 1.172 -1.015 -1.988 196 HD23 LEU 25 2HD2 LEU 25 -0.350 -0.131 -2.186 197 H ILE 26 H ILE 26 -0.501 4.121 -0.235 198 HA ILE 26 HA ILE 26 2.181 4.661 -1.066 199 HB ILE 26 HB ILE 26 -0.344 6.334 -1.066 200 HG12 ILE 26 1HG1 ILE 26 1.269 5.158 -3.378 201 HG13 ILE 26 2HG1 ILE 26 0.001 4.250 -2.575 202 HG21 ILE 26 1HG2 ILE 26 0.856 7.935 -2.571 203 HG22 ILE 26 2HG2 ILE 26 1.504 7.952 -0.942 204 HG23 ILE 26 3HG2 ILE 26 2.379 7.088 -2.230 205 HD11 ILE 26 3HD1 ILE 26 -0.385 6.852 -4.101 206 HD12 ILE 26 1HD1 ILE 26 -0.909 5.229 -4.569 207 HD13 ILE 26 2HD1 ILE 26 -1.654 6.021 -3.166 208 H LYS 27 H LYS 27 0.283 6.134 1.636 209 HA LYS 27 HA LYS 27 2.439 7.789 2.545 210 HB2 LYS 27 1HB LYS 27 0.058 8.109 3.158 211 HB3 LYS 27 2HB LYS 27 0.054 6.579 4.031 212 HG2 LYS 27 1HG LYS 27 0.170 8.437 5.574 213 HG3 LYS 27 2HG LYS 27 1.644 7.476 5.686 214 HD2 LYS 27 1HD LYS 27 2.866 9.166 4.343 215 HD3 LYS 27 2HD LYS 27 1.365 10.100 4.140 216 HE2 LYS 27 1HE LYS 27 1.223 10.364 6.615 217 HE3 LYS 27 2HE LYS 27 2.726 9.449 6.798 218 HZ1 LYS 27 3HZ LYS 27 2.475 12.043 5.364 219 HZ2 LYS 27 1HZ LYS 27 3.866 11.201 5.539 220 HZ3 LYS 27 2HZ LYS 27 3.130 11.844 6.843 221 H HIS 28 H HIS 28 1.647 4.384 3.375 222 HA HIS 28 HA HIS 28 3.754 3.989 5.271 223 HB2 HIS 28 1HB HIS 28 2.095 2.314 5.070 224 HB3 HIS 28 2HB HIS 28 2.305 2.155 3.340 225 HD1 HIS 28 1HD HIS 28 3.874 0.961 6.582 226 HD2 HIS 28 2HD HIS 28 4.328 0.644 2.420 227 HE1 HIS 28 1HE HIS 28 5.586 -0.873 6.217 228 H ILE 29 H ILE 29 3.806 3.726 1.673 229 HA ILE 29 HA ILE 29 6.606 3.106 1.494 230 HB ILE 29 HB ILE 29 4.674 4.327 -0.500 231 HG12 ILE 29 1HG1 ILE 29 5.884 1.528 -0.447 232 HG13 ILE 29 2HG1 ILE 29 4.365 1.898 0.345 233 HG21 ILE 29 1HG2 ILE 29 7.503 3.310 -1.008 234 HG22 ILE 29 2HG2 ILE 29 6.343 3.810 -2.252 235 HG23 ILE 29 3HG2 ILE 29 6.972 5.002 -1.128 236 HD11 ILE 29 3HD1 ILE 29 3.879 0.949 -1.803 237 HD12 ILE 29 1HD1 ILE 29 3.399 2.656 -1.825 238 HD13 ILE 29 2HD1 ILE 29 4.895 2.134 -2.637 239 H ARG 30 H ARG 30 4.915 6.295 1.449 240 HA ARG 30 HA ARG 30 7.278 7.893 1.212 241 HB2 ARG 30 1HB ARG 30 4.676 8.585 2.644 242 HB3 ARG 30 2HB ARG 30 5.956 9.713 2.243 243 HG2 ARG 30 1HG ARG 30 4.034 8.369 0.342 244 HG3 ARG 30 2HG ARG 30 4.319 10.079 0.623 245 HD2 ARG 30 1HD ARG 30 6.628 9.786 -0.326 246 HD3 ARG 30 2HD ARG 30 6.195 8.103 -0.715 247 HE ARG 30 HE ARG 30 4.216 9.741 -1.865 248 HH11 ARG 30 2HH1 ARG 30 7.683 9.235 -2.317 249 HH12 ARG 30 1HH1 ARG 30 7.585 9.645 -4.014 250 HH21 ARG 30 2HH2 ARG 30 4.206 10.264 -4.029 251 HH22 ARG 30 1HH2 ARG 30 5.683 10.214 -4.946 252 H ASP 31 H ASP 31 5.846 6.470 4.117 253 HA ASP 31 HA ASP 31 7.691 7.875 5.881 254 HB2 ASP 31 1HB ASP 31 5.324 7.281 6.424 255 HB3 ASP 31 2HB ASP 31 5.793 5.580 6.468 256 H MET 32 H MET 32 7.573 4.581 4.526 257 HA MET 32 HA MET 32 9.923 3.780 6.182 258 HB2 MET 32 1HB MET 32 7.828 2.142 4.713 259 HB3 MET 32 2HB MET 32 9.152 1.476 5.648 260 HG2 MET 32 1HG MET 32 6.943 3.242 6.756 261 HG3 MET 32 2HG MET 32 7.019 1.494 6.890 262 HE1 MET 32 3HE MET 32 8.650 0.140 8.407 263 HE2 MET 32 1HE MET 32 10.095 0.857 7.652 264 HE3 MET 32 2HE MET 32 9.923 0.859 9.418 265 H HIS 33 H HIS 33 9.102 4.161 2.745 266 HA HIS 33 HA HIS 33 11.660 2.770 2.018 267 HB2 HIS 33 1HB HIS 33 9.023 2.531 0.555 268 HB3 HIS 33 2HB HIS 33 10.496 1.616 0.257 269 HD1 HIS 33 1HD HIS 33 11.160 0.382 3.022 270 HD2 HIS 33 2HD HIS 33 7.277 0.930 1.528 271 HE1 HIS 33 1HE HIS 33 9.702 -1.284 4.268 272 H ASP 34 H ASP 34 10.304 5.761 1.829 273 HA ASP 34 HA ASP 34 10.399 6.432 -0.882 274 HB2 ASP 34 1HB ASP 34 9.379 7.645 1.110 275 HB3 ASP 34 2HB ASP 34 10.959 8.354 1.397 276 HA PRO 35 HA PRO 35 14.766 6.375 -1.639 277 HB2 PRO 35 1HB PRO 35 14.968 7.635 -4.070 278 HB3 PRO 35 2HB PRO 35 14.265 6.004 -3.844 279 HG2 PRO 35 1HG PRO 35 12.794 8.655 -4.017 280 HG3 PRO 35 2HG PRO 35 12.446 7.137 -4.908 281 HD2 PRO 35 1HD PRO 35 11.089 7.794 -2.658 282 HD3 PRO 35 2HD PRO 35 11.563 6.097 -2.970 283 H GLN 36 H GLN 36 16.582 7.506 -1.243 284 HA GLN 36 HA GLN 36 16.323 10.133 -0.056 285 HB2 GLN 36 1HB GLN 36 18.786 8.383 -0.484 286 HB3 GLN 36 2HB GLN 36 18.688 9.822 0.519 287 HG2 GLN 36 1HG GLN 36 18.504 8.119 2.074 288 HG3 GLN 36 2HG GLN 36 16.842 8.650 1.860 289 HE21 GLN 36 1HE2 GLN 36 16.687 6.375 2.991 290 HE22 GLN 36 2HE2 GLN 36 16.535 5.015 1.885 291 H ASP 37 H ASP 37 17.188 9.121 -3.209 292 HA ASP 37 HA ASP 37 18.176 10.028 -5.033 293 HB2 ASP 37 1HB ASP 37 16.035 11.178 -4.941 294 HB3 ASP 37 2HB ASP 37 16.746 12.495 -4.017 Start of MODEL 18 1 H1 GLY 1 1H GLY 1 -0.627 -17.696 11.763 2 H2 GLY 1 2H GLY 1 -1.926 -18.678 11.936 3 H3 GLY 1 3H GLY 1 -1.757 -17.363 12.903 4 HA2 GLY 1 1HA GLY 1 -3.425 -16.926 11.234 5 HA3 GLY 1 2HA GLY 1 -2.015 -15.870 11.036 6 H SER 2 H SER 2 -3.034 -15.733 8.824 7 HA SER 2 HA SER 2 -2.816 -17.984 7.000 8 HB2 SER 2 1HB SER 2 -4.466 -16.202 6.682 9 HB3 SER 2 2HB SER 2 -3.165 -15.017 6.444 10 HG SER 2 HG SER 2 -4.101 -15.936 4.480 11 H SER 3 H SER 3 -1.363 -18.344 5.352 12 HA SER 3 HA SER 3 1.374 -17.303 5.607 13 HB2 SER 3 1HB SER 3 0.165 -19.212 3.572 14 HB3 SER 3 2HB SER 3 1.890 -18.880 3.809 15 HG SER 3 HG SER 3 1.209 -20.791 4.898 16 H GLY 4 H GLY 4 -1.420 -16.217 3.962 17 HA2 GLY 4 1HA GLY 4 -0.260 -15.302 1.485 18 HA3 GLY 4 2HA GLY 4 -1.804 -14.808 2.167 19 H SER 5 H SER 5 0.384 -13.294 0.826 20 HA SER 5 HA SER 5 0.448 -10.966 2.648 21 HB2 SER 5 1HB SER 5 2.877 -10.622 2.299 22 HB3 SER 5 2HB SER 5 2.501 -12.050 3.270 23 HG SER 5 HG SER 5 4.082 -12.560 1.734 24 H SER 6 H SER 6 1.923 -12.038 -0.431 25 HA SER 6 HA SER 6 1.176 -9.564 -1.811 26 HB2 SER 6 1HB SER 6 2.433 -12.113 -2.885 27 HB3 SER 6 2HB SER 6 2.221 -10.601 -3.784 28 HG SER 6 HG SER 6 3.787 -10.992 -1.433 29 H GLY 7 H GLY 7 -0.162 -9.420 -3.707 30 HA2 GLY 7 1HA GLY 7 -1.701 -11.415 -4.912 31 HA3 GLY 7 2HA GLY 7 -2.651 -10.894 -3.522 32 H ILE 8 H ILE 8 -4.216 -10.323 -5.202 33 HA ILE 8 HA ILE 8 -3.711 -8.022 -6.921 34 HB ILE 8 HB ILE 8 -6.058 -8.207 -7.546 35 HG12 ILE 8 1HG1 ILE 8 -6.273 -10.492 -5.530 36 HG13 ILE 8 2HG1 ILE 8 -6.980 -8.889 -5.323 37 HG21 ILE 8 1HG2 ILE 8 -4.716 -10.944 -7.518 38 HG22 ILE 8 2HG2 ILE 8 -5.876 -10.317 -8.707 39 HG23 ILE 8 3HG2 ILE 8 -4.266 -9.605 -8.596 40 HD11 ILE 8 3HD1 ILE 8 -8.352 -9.242 -7.382 41 HD12 ILE 8 1HD1 ILE 8 -7.733 -10.911 -7.464 42 HD13 ILE 8 2HD1 ILE 8 -8.698 -10.392 -6.075 43 H LYS 9 H LYS 9 -4.475 -8.238 -3.645 44 HA LYS 9 HA LYS 9 -5.939 -5.663 -3.449 45 HB2 LYS 9 1HB LYS 9 -5.025 -7.584 -1.269 46 HB3 LYS 9 2HB LYS 9 -6.123 -6.222 -1.065 47 HG2 LYS 9 1HG LYS 9 -6.679 -8.767 -2.646 48 HG3 LYS 9 2HG LYS 9 -7.352 -8.311 -1.084 49 HD2 LYS 9 1HD LYS 9 -8.486 -6.355 -2.145 50 HD3 LYS 9 2HD LYS 9 -7.861 -6.873 -3.729 51 HE2 LYS 9 1HE LYS 9 -9.020 -9.050 -3.482 52 HE3 LYS 9 2HE LYS 9 -9.642 -8.548 -1.905 53 HZ1 LYS 9 3HZ LYS 9 -10.851 -6.750 -3.025 54 HZ2 LYS 9 1HZ LYS 9 -11.284 -8.189 -3.659 55 HZ3 LYS 9 2HZ LYS 9 -10.275 -7.208 -4.486 56 H GLN 10 H GLN 10 -5.163 -4.269 -1.505 57 HA GLN 10 HA GLN 10 -2.698 -3.052 -2.386 58 HB2 GLN 10 1HB GLN 10 -4.579 -2.485 -0.068 59 HB3 GLN 10 2HB GLN 10 -3.130 -1.543 -0.380 60 HG2 GLN 10 1HG GLN 10 -4.974 -0.366 -1.303 61 HG3 GLN 10 2HG GLN 10 -3.999 -0.960 -2.644 62 HE21 GLN 10 1HE2 GLN 10 -7.040 -1.674 -0.735 63 HE22 GLN 10 2HE2 GLN 10 -7.819 -2.441 -2.106 64 H HIS 11 H HIS 11 -0.746 -3.917 -1.990 65 HA HIS 11 HA HIS 11 0.044 -4.305 0.813 66 HB2 HIS 11 1HB HIS 11 1.094 -6.404 0.520 67 HB3 HIS 11 2HB HIS 11 -0.555 -6.583 -0.051 68 HD1 HIS 11 1HD HIS 11 3.065 -6.457 -1.387 69 HD2 HIS 11 2HD HIS 11 -0.884 -7.195 -2.659 70 HE1 HIS 11 1HE HIS 11 3.243 -7.550 -3.681 71 H CYS 12 H CYS 12 2.247 -4.116 1.225 72 HA CYS 12 HA CYS 12 3.756 -2.254 -0.372 73 HB2 CYS 12 1HB CYS 12 3.747 -2.471 2.099 74 HB3 CYS 12 2HB CYS 12 4.533 -4.051 1.951 75 H ARG 13 H ARG 13 5.551 -2.578 -1.614 76 HA ARG 13 HA ARG 13 6.131 -5.351 -2.576 77 HB2 ARG 13 1HB ARG 13 7.212 -4.382 -4.470 78 HB3 ARG 13 2HB ARG 13 5.589 -3.727 -4.294 79 HG2 ARG 13 1HG ARG 13 6.562 -1.627 -3.319 80 HG3 ARG 13 2HG ARG 13 8.190 -2.294 -3.568 81 HD2 ARG 13 1HD ARG 13 7.694 -2.512 -6.014 82 HD3 ARG 13 2HD ARG 13 6.096 -1.832 -5.736 83 HE ARG 13 HE ARG 13 6.986 0.302 -5.473 84 HH11 ARG 13 2HH1 ARG 13 9.681 -1.926 -5.752 85 HH12 ARG 13 1HH1 ARG 13 10.799 -0.657 -6.168 86 HH21 ARG 13 2HH2 ARG 13 8.459 1.856 -6.040 87 HH22 ARG 13 1HH2 ARG 13 10.117 1.424 -6.326 88 H PHE 14 H PHE 14 7.448 -2.990 -0.470 89 HA PHE 14 HA PHE 14 10.227 -3.966 -0.741 90 HB2 PHE 14 1HB PHE 14 9.041 -1.912 1.132 91 HB3 PHE 14 2HB PHE 14 10.744 -2.216 0.873 92 HD1 PHE 14 1HD PHE 14 7.676 -0.692 -0.535 93 HD2 PHE 14 2HD PHE 14 11.892 -1.392 -1.137 94 HE1 PHE 14 1HE PHE 14 7.725 1.088 -2.263 95 HE2 PHE 14 2HE PHE 14 11.937 0.404 -2.853 96 HZ PHE 14 HZ PHE 14 9.863 1.663 -3.394 97 H CYS 15 H CYS 15 7.649 -3.939 1.745 98 HA CYS 15 HA CYS 15 9.117 -6.050 3.256 99 HB2 CYS 15 1HB CYS 15 8.489 -5.073 5.317 100 HB3 CYS 15 2HB CYS 15 9.326 -3.879 4.336 101 H LYS 16 H LYS 16 6.481 -5.737 1.401 102 HA LYS 16 HA LYS 16 4.650 -7.002 0.987 103 HB2 LYS 16 1HB LYS 16 6.563 -8.922 2.248 104 HB3 LYS 16 2HB LYS 16 4.926 -9.471 1.996 105 HG2 LYS 16 1HG LYS 16 6.226 -10.100 0.104 106 HG3 LYS 16 2HG LYS 16 5.002 -8.935 -0.371 107 HD2 LYS 16 1HD LYS 16 7.083 -8.569 -1.560 108 HD3 LYS 16 2HD LYS 16 6.698 -7.165 -0.564 109 HE2 LYS 16 1HE LYS 16 8.367 -7.758 1.076 110 HE3 LYS 16 2HE LYS 16 8.586 -9.365 0.376 111 HZ1 LYS 16 3HZ LYS 16 10.341 -7.707 -0.243 112 HZ2 LYS 16 1HZ LYS 16 9.233 -6.885 -1.132 113 HZ3 LYS 16 2HZ LYS 16 9.626 -8.415 -1.530 114 H LYS 17 H LYS 17 4.667 -5.553 3.776 115 HA LYS 17 HA LYS 17 2.491 -6.848 5.168 116 HB2 LYS 17 1HB LYS 17 3.391 -3.937 5.204 117 HB3 LYS 17 2HB LYS 17 2.207 -4.681 6.297 118 HG2 LYS 17 1HG LYS 17 3.945 -6.263 7.113 119 HG3 LYS 17 2HG LYS 17 5.138 -5.511 6.040 120 HD2 LYS 17 1HD LYS 17 4.810 -3.336 7.218 121 HD3 LYS 17 2HD LYS 17 3.674 -4.134 8.332 122 HE2 LYS 17 1HE LYS 17 5.483 -5.734 8.985 123 HE3 LYS 17 2HE LYS 17 6.601 -4.897 7.898 124 HZ1 LYS 17 3HZ LYS 17 6.320 -2.895 9.257 125 HZ2 LYS 17 1HZ LYS 17 6.838 -4.127 10.191 126 HZ3 LYS 17 2HZ LYS 17 5.276 -3.662 10.258 127 H LYS 18 H LYS 18 0.346 -6.269 5.302 128 HA LYS 18 HA LYS 18 -0.890 -5.465 2.715 129 HB2 LYS 18 1HB LYS 18 -1.820 -7.039 5.132 130 HB3 LYS 18 2HB LYS 18 -2.918 -6.550 3.827 131 HG2 LYS 18 1HG LYS 18 -1.596 -7.799 2.175 132 HG3 LYS 18 2HG LYS 18 -0.390 -8.207 3.391 133 HD2 LYS 18 1HD LYS 18 -1.831 -10.128 2.994 134 HD3 LYS 18 2HD LYS 18 -2.000 -9.543 4.644 135 HE2 LYS 18 1HE LYS 18 -4.174 -10.144 3.844 136 HE3 LYS 18 2HE LYS 18 -4.126 -8.391 4.021 137 HZ1 LYS 18 3HZ LYS 18 -3.808 -9.863 1.452 138 HZ2 LYS 18 1HZ LYS 18 -3.795 -8.232 1.602 139 HZ3 LYS 18 2HZ LYS 18 -5.157 -9.074 1.923 140 H TYR 19 H TYR 19 -2.537 -4.030 2.521 141 HA TYR 19 HA TYR 19 -3.292 -2.277 4.804 142 HB2 TYR 19 1HB TYR 19 -1.966 -1.464 2.205 143 HB3 TYR 19 2HB TYR 19 -3.109 -0.379 2.976 144 HD1 TYR 19 1HD TYR 19 -2.736 0.549 5.212 145 HD2 TYR 19 2HD TYR 19 0.260 -1.864 3.258 146 HE1 TYR 19 1HE TYR 19 -1.061 1.275 6.898 147 HE2 TYR 19 2HE TYR 19 1.935 -1.147 4.963 148 HH TYR 19 HH TYR 19 1.058 1.030 7.684 149 H SER 20 H SER 20 -5.242 -1.029 4.427 150 HA SER 20 HA SER 20 -7.264 -2.555 2.952 151 HB2 SER 20 1HB SER 20 -7.533 0.013 4.552 152 HB3 SER 20 2HB SER 20 -8.855 -1.013 3.965 153 HG SER 20 HG SER 20 -8.316 -1.460 6.157 154 H ASP 21 H ASP 21 -5.773 0.680 2.634 155 HA ASP 21 HA ASP 21 -7.191 1.104 0.033 156 HB2 ASP 21 1HB ASP 21 -6.840 3.038 2.353 157 HB3 ASP 21 2HB ASP 21 -7.352 3.516 0.737 158 H VAL 22 H VAL 22 -6.148 2.291 -1.536 159 HA VAL 22 HA VAL 22 -3.355 1.922 -1.705 160 HB VAL 22 HB VAL 22 -4.965 2.117 -3.584 161 HG11 VAL 22 1HG1 VAL 22 -5.492 4.213 -4.627 162 HG12 VAL 22 2HG1 VAL 22 -6.116 4.229 -2.974 163 HG13 VAL 22 3HG1 VAL 22 -4.627 5.123 -3.382 164 HG21 VAL 22 3HG2 VAL 22 -2.536 2.063 -3.945 165 HG22 VAL 22 1HG2 VAL 22 -3.368 3.029 -5.173 166 HG23 VAL 22 2HG2 VAL 22 -2.488 3.838 -3.863 167 H LYS 23 H LYS 23 -5.170 4.854 -0.752 168 HA LYS 23 HA LYS 23 -2.961 6.572 -0.816 169 HB2 LYS 23 1HB LYS 23 -5.404 6.734 1.011 170 HB3 LYS 23 2HB LYS 23 -4.366 8.087 0.530 171 HG2 LYS 23 1HG LYS 23 -4.994 7.693 -1.860 172 HG3 LYS 23 2HG LYS 23 -6.105 6.415 -1.359 173 HD2 LYS 23 1HD LYS 23 -6.310 9.335 -0.607 174 HD3 LYS 23 2HD LYS 23 -7.272 8.457 -1.816 175 HE2 LYS 23 1HE LYS 23 -8.169 6.978 -0.024 176 HE3 LYS 23 2HE LYS 23 -7.262 7.901 1.184 177 HZ1 LYS 23 3HZ LYS 23 -9.553 8.679 1.025 178 HZ2 LYS 23 1HZ LYS 23 -9.391 9.020 -0.561 179 HZ3 LYS 23 2HZ LYS 23 -8.548 9.873 0.550 180 H ASN 24 H ASN 24 -4.110 4.464 1.785 181 HA ASN 24 HA ASN 24 -2.212 5.383 3.786 182 HB2 ASN 24 1HB ASN 24 -4.489 4.266 4.156 183 HB3 ASN 24 2HB ASN 24 -3.725 2.740 3.703 184 HD21 ASN 24 1HD2 ASN 24 -4.755 2.512 6.045 185 HD22 ASN 24 2HD2 ASN 24 -3.608 2.788 7.346 186 H LEU 25 H LEU 25 -2.271 2.699 1.404 187 HA LEU 25 HA LEU 25 0.260 1.557 2.072 188 HB2 LEU 25 1HB LEU 25 -1.376 0.426 0.678 189 HB3 LEU 25 2HB LEU 25 -1.314 1.710 -0.523 190 HG LEU 25 HG LEU 25 1.015 1.132 -1.089 191 HD11 LEU 25 1HD1 LEU 25 2.002 -0.950 -0.264 192 HD12 LEU 25 2HD1 LEU 25 0.643 -1.186 0.861 193 HD13 LEU 25 3HD1 LEU 25 1.772 0.174 1.070 194 HD21 LEU 25 3HD2 LEU 25 -0.866 -1.255 -1.138 195 HD22 LEU 25 1HD2 LEU 25 0.521 -0.977 -2.212 196 HD23 LEU 25 2HD2 LEU 25 -0.882 0.099 -2.292 197 H ILE 26 H ILE 26 -0.536 4.242 -0.210 198 HA ILE 26 HA ILE 26 2.189 4.735 -0.986 199 HB ILE 26 HB ILE 26 -0.310 6.451 -1.049 200 HG12 ILE 26 1HG1 ILE 26 1.350 5.205 -3.298 201 HG13 ILE 26 2HG1 ILE 26 -0.016 4.384 -2.563 202 HG21 ILE 26 1HG2 ILE 26 2.463 7.137 -2.143 203 HG22 ILE 26 2HG2 ILE 26 0.973 8.036 -2.504 204 HG23 ILE 26 3HG2 ILE 26 1.590 8.014 -0.864 205 HD11 ILE 26 3HD1 ILE 26 -0.147 6.996 -4.119 206 HD12 ILE 26 1HD1 ILE 26 -0.749 5.410 -4.608 207 HD13 ILE 26 2HD1 ILE 26 -1.516 6.259 -3.249 208 H LYS 27 H LYS 27 0.227 6.162 1.692 209 HA LYS 27 HA LYS 27 2.333 7.822 2.722 210 HB2 LYS 27 1HB LYS 27 -0.107 6.550 4.016 211 HB3 LYS 27 2HB LYS 27 1.017 7.581 4.911 212 HG2 LYS 27 1HG LYS 27 0.630 9.454 3.402 213 HG3 LYS 27 2HG LYS 27 -0.425 8.472 2.377 214 HD2 LYS 27 1HD LYS 27 -2.007 8.180 4.271 215 HD3 LYS 27 2HD LYS 27 -0.943 9.163 5.304 216 HE2 LYS 27 1HE LYS 27 -1.201 11.072 3.714 217 HE3 LYS 27 2HE LYS 27 -2.293 10.093 2.725 218 HZ1 LYS 27 3HZ LYS 27 -3.807 9.981 4.644 219 HZ2 LYS 27 1HZ LYS 27 -3.523 11.537 4.244 220 HZ3 LYS 27 2HZ LYS 27 -2.792 10.888 5.548 221 H HIS 28 H HIS 28 1.633 4.370 3.403 222 HA HIS 28 HA HIS 28 3.752 3.959 5.280 223 HB2 HIS 28 1HB HIS 28 2.073 2.291 5.007 224 HB3 HIS 28 2HB HIS 28 2.366 2.131 3.288 225 HD1 HIS 28 1HD HIS 28 3.800 0.962 6.607 226 HD2 HIS 28 2HD HIS 28 4.387 0.588 2.470 227 HE1 HIS 28 1HE HIS 28 5.495 -0.906 6.321 228 H ILE 29 H ILE 29 3.794 3.613 1.681 229 HA ILE 29 HA ILE 29 6.576 2.984 1.488 230 HB ILE 29 HB ILE 29 4.633 4.221 -0.476 231 HG12 ILE 29 1HG1 ILE 29 5.833 1.418 -0.462 232 HG13 ILE 29 2HG1 ILE 29 4.336 1.798 0.372 233 HG21 ILE 29 1HG2 ILE 29 6.292 3.663 -2.265 234 HG22 ILE 29 2HG2 ILE 29 6.877 4.918 -1.191 235 HG23 ILE 29 3HG2 ILE 29 7.479 3.258 -1.010 236 HD11 ILE 29 3HD1 ILE 29 3.328 2.587 -1.774 237 HD12 ILE 29 1HD1 ILE 29 4.790 2.031 -2.624 238 HD13 ILE 29 2HD1 ILE 29 3.771 0.869 -1.761 239 H ARG 30 H ARG 30 4.953 6.194 1.355 240 HA ARG 30 HA ARG 30 7.445 7.641 1.076 241 HB2 ARG 30 1HB ARG 30 4.650 8.564 1.848 242 HB3 ARG 30 2HB ARG 30 6.019 9.638 1.609 243 HG2 ARG 30 1HG ARG 30 6.046 8.079 -0.737 244 HG3 ARG 30 2HG ARG 30 4.328 8.287 -0.397 245 HD2 ARG 30 1HD ARG 30 5.031 10.085 -1.829 246 HD3 ARG 30 2HD ARG 30 4.711 10.762 -0.220 247 HE ARG 30 HE ARG 30 7.508 9.956 -0.663 248 HH11 ARG 30 2HH1 ARG 30 5.366 12.678 -1.219 249 HH12 ARG 30 1HH1 ARG 30 6.680 13.821 -1.156 250 HH21 ARG 30 2HH2 ARG 30 9.078 11.424 -0.460 251 HH22 ARG 30 1HH2 ARG 30 8.756 13.116 -0.776 252 H ASP 31 H ASP 31 6.136 6.212 3.882 253 HA ASP 31 HA ASP 31 7.755 7.974 5.660 254 HB2 ASP 31 1HB ASP 31 5.380 7.491 6.207 255 HB3 ASP 31 2HB ASP 31 5.784 5.778 6.355 256 H MET 32 H MET 32 7.602 4.603 4.527 257 HA MET 32 HA MET 32 9.932 3.869 6.240 258 HB2 MET 32 1HB MET 32 7.846 2.193 4.796 259 HB3 MET 32 2HB MET 32 9.159 1.547 5.769 260 HG2 MET 32 1HG MET 32 6.929 3.347 6.782 261 HG3 MET 32 2HG MET 32 7.019 1.606 6.988 262 HE1 MET 32 3HE MET 32 9.912 1.115 9.570 263 HE2 MET 32 1HE MET 32 8.674 0.333 8.563 264 HE3 MET 32 2HE MET 32 10.114 1.061 7.808 265 H HIS 33 H HIS 33 9.119 4.184 2.820 266 HA HIS 33 HA HIS 33 11.706 2.902 2.041 267 HB2 HIS 33 1HB HIS 33 9.079 2.444 0.609 268 HB3 HIS 33 2HB HIS 33 10.592 1.573 0.407 269 HD1 HIS 33 1HD HIS 33 11.214 0.395 3.166 270 HD2 HIS 33 2HD HIS 33 7.328 0.936 1.670 271 HE1 HIS 33 1HE HIS 33 9.752 -1.237 4.449 272 H ASP 34 H ASP 34 10.683 5.798 2.111 273 HA ASP 34 HA ASP 34 9.866 6.619 -0.399 274 HB2 ASP 34 1HB ASP 34 9.732 7.813 1.817 275 HB3 ASP 34 2HB ASP 34 11.380 8.371 1.553 276 HA PRO 35 HA PRO 35 13.642 6.532 -2.875 277 HB2 PRO 35 1HB PRO 35 12.033 8.427 -4.592 278 HB3 PRO 35 2HB PRO 35 13.033 7.024 -5.088 279 HG2 PRO 35 1HG PRO 35 10.346 6.772 -4.946 280 HG3 PRO 35 2HG PRO 35 11.391 5.477 -4.270 281 HD2 PRO 35 1HD PRO 35 9.999 7.730 -2.794 282 HD3 PRO 35 2HD PRO 35 10.077 5.987 -2.394 283 H GLN 36 H GLN 36 15.484 7.769 -2.960 284 HA GLN 36 HA GLN 36 15.541 10.631 -2.486 285 HB2 GLN 36 1HB GLN 36 16.672 10.456 -0.307 286 HB3 GLN 36 2HB GLN 36 15.029 9.834 -0.246 287 HG2 GLN 36 1HG GLN 36 16.065 7.472 -0.526 288 HG3 GLN 36 2HG GLN 36 17.622 8.242 -0.214 289 HE21 GLN 36 1HE2 GLN 36 14.387 7.541 1.154 290 HE22 GLN 36 2HE2 GLN 36 14.892 7.752 2.833 291 H ASP 37 H ASP 37 17.546 11.486 -2.735 292 HA ASP 37 HA ASP 37 19.901 9.839 -3.487 293 HB2 ASP 37 1HB ASP 37 18.657 10.192 -5.580 294 HB3 ASP 37 2HB ASP 37 18.629 11.928 -5.298 Start of MODEL 19 1 H1 GLY 1 1H GLY 1 -4.553 -16.619 10.799 2 H2 GLY 1 2H GLY 1 -5.136 -17.966 11.521 3 H3 GLY 1 3H GLY 1 -3.541 -17.604 11.634 4 HA2 GLY 1 1HA GLY 1 -4.678 -17.111 13.712 5 HA3 GLY 1 2HA GLY 1 -3.993 -15.658 12.957 6 H SER 2 H SER 2 -5.381 -13.994 13.247 7 HA SER 2 HA SER 2 -8.292 -14.266 13.242 8 HB2 SER 2 1HB SER 2 -8.190 -11.775 13.548 9 HB3 SER 2 2HB SER 2 -7.357 -12.728 14.781 10 HG SER 2 HG SER 2 -6.100 -10.938 14.047 11 H SER 3 H SER 3 -7.341 -15.283 10.913 12 HA SER 3 HA SER 3 -7.027 -13.425 8.749 13 HB2 SER 3 1HB SER 3 -7.519 -16.421 8.657 14 HB3 SER 3 2HB SER 3 -6.771 -15.427 7.398 15 HG SER 3 HG SER 3 -5.008 -15.079 8.734 16 H GLY 4 H GLY 4 -8.289 -13.177 6.860 17 HA2 GLY 4 1HA GLY 4 -10.850 -14.292 6.354 18 HA3 GLY 4 2HA GLY 4 -11.079 -12.778 7.233 19 H SER 5 H SER 5 -12.248 -12.440 5.092 20 HA SER 5 HA SER 5 -10.637 -11.785 2.744 21 HB2 SER 5 1HB SER 5 -12.850 -11.283 1.737 22 HB3 SER 5 2HB SER 5 -12.746 -12.898 2.451 23 HG SER 5 HG SER 5 -14.696 -11.807 3.023 24 H SER 6 H SER 6 -10.992 -10.041 5.485 25 HA SER 6 HA SER 6 -11.959 -7.523 4.775 26 HB2 SER 6 1HB SER 6 -9.803 -8.155 6.821 27 HB3 SER 6 2HB SER 6 -10.839 -6.714 6.784 28 HG SER 6 HG SER 6 -11.648 -8.301 8.227 29 H GLY 7 H GLY 7 -11.053 -5.528 4.316 30 HA2 GLY 7 1HA GLY 7 -9.595 -3.981 3.396 31 HA3 GLY 7 2HA GLY 7 -8.259 -5.109 3.620 32 H ILE 8 H ILE 8 -7.451 -4.486 1.555 33 HA ILE 8 HA ILE 8 -8.791 -5.769 -0.785 34 HB ILE 8 HB ILE 8 -8.099 -3.900 -2.207 35 HG12 ILE 8 1HG1 ILE 8 -7.375 -2.424 0.359 36 HG13 ILE 8 2HG1 ILE 8 -6.216 -3.050 -0.805 37 HG21 ILE 8 1HG2 ILE 8 -9.901 -2.422 -1.647 38 HG22 ILE 8 2HG2 ILE 8 -10.386 -4.056 -1.189 39 HG23 ILE 8 3HG2 ILE 8 -9.860 -2.906 0.060 40 HD11 ILE 8 3HD1 ILE 8 -7.240 -1.559 -2.561 41 HD12 ILE 8 1HD1 ILE 8 -8.254 -0.840 -1.288 42 HD13 ILE 8 2HD1 ILE 8 -6.493 -0.697 -1.201 43 H LYS 9 H LYS 9 -7.054 -5.657 -2.716 44 HA LYS 9 HA LYS 9 -4.918 -7.447 -1.854 45 HB2 LYS 9 1HB LYS 9 -5.582 -6.302 -4.601 46 HB3 LYS 9 2HB LYS 9 -4.448 -7.611 -4.290 47 HG2 LYS 9 1HG LYS 9 -7.453 -7.708 -3.809 48 HG3 LYS 9 2HG LYS 9 -6.559 -8.465 -5.129 49 HD2 LYS 9 1HD LYS 9 -5.272 -9.801 -3.396 50 HD3 LYS 9 2HD LYS 9 -6.391 -9.196 -2.169 51 HE2 LYS 9 1HE LYS 9 -7.172 -10.777 -4.662 52 HE3 LYS 9 2HE LYS 9 -6.953 -11.471 -3.055 53 HZ1 LYS 9 3HZ LYS 9 -9.283 -11.020 -3.475 54 HZ2 LYS 9 1HZ LYS 9 -9.007 -9.442 -3.765 55 HZ3 LYS 9 2HZ LYS 9 -8.779 -10.057 -2.263 56 H GLN 10 H GLN 10 -4.902 -4.124 -1.804 57 HA GLN 10 HA GLN 10 -2.340 -3.539 -2.968 58 HB2 GLN 10 1HB GLN 10 -4.043 -2.040 -0.942 59 HB3 GLN 10 2HB GLN 10 -2.552 -1.398 -1.607 60 HG2 GLN 10 1HG GLN 10 -4.968 -2.191 -3.291 61 HG3 GLN 10 2HG GLN 10 -4.607 -0.559 -2.744 62 HE21 GLN 10 1HE2 GLN 10 -4.918 -0.778 -5.405 63 HE22 GLN 10 2HE2 GLN 10 -3.352 -0.721 -6.204 64 H HIS 11 H HIS 11 -0.423 -4.096 -2.322 65 HA HIS 11 HA HIS 11 0.242 -4.350 0.542 66 HB2 HIS 11 1HB HIS 11 1.311 -6.514 0.171 67 HB3 HIS 11 2HB HIS 11 -0.405 -6.586 -0.200 68 HD1 HIS 11 1HD HIS 11 -1.032 -6.828 -2.872 69 HD2 HIS 11 2HD HIS 11 3.044 -6.992 -1.813 70 HE1 HIS 11 1HE HIS 11 0.202 -7.773 -4.900 71 H CYS 12 H CYS 12 2.433 -4.297 1.067 72 HA CYS 12 HA CYS 12 3.965 -2.348 -0.359 73 HB2 CYS 12 1HB CYS 12 3.874 -2.585 2.082 74 HB3 CYS 12 2HB CYS 12 4.682 -4.164 1.959 75 H ARG 13 H ARG 13 5.625 -2.461 -1.637 76 HA ARG 13 HA ARG 13 6.405 -4.993 -2.925 77 HB2 ARG 13 1HB ARG 13 6.141 -2.318 -3.776 78 HB3 ARG 13 2HB ARG 13 7.872 -2.551 -3.737 79 HG2 ARG 13 1HG ARG 13 5.742 -4.130 -5.238 80 HG3 ARG 13 2HG ARG 13 6.857 -2.948 -5.920 81 HD2 ARG 13 1HD ARG 13 7.535 -5.699 -4.827 82 HD3 ARG 13 2HD ARG 13 7.554 -5.133 -6.492 83 HE ARG 13 HE ARG 13 9.524 -4.589 -4.359 84 HH11 ARG 13 2HH1 ARG 13 8.654 -3.804 -7.669 85 HH12 ARG 13 1HH1 ARG 13 10.225 -3.136 -8.018 86 HH21 ARG 13 2HH2 ARG 13 11.499 -3.751 -4.882 87 HH22 ARG 13 1HH2 ARG 13 11.796 -3.112 -6.473 88 H PHE 14 H PHE 14 7.468 -3.347 -0.204 89 HA PHE 14 HA PHE 14 10.309 -4.268 -0.524 90 HB2 PHE 14 1HB PHE 14 9.290 -1.883 1.023 91 HB3 PHE 14 2HB PHE 14 10.960 -2.281 0.662 92 HD1 PHE 14 2HD PHE 14 11.776 -2.130 -1.754 93 HD2 PHE 14 1HD PHE 14 7.915 -0.657 -0.518 94 HE1 PHE 14 2HE PHE 14 11.620 -0.777 -3.835 95 HE2 PHE 14 1HE PHE 14 7.768 0.700 -2.592 96 HZ PHE 14 HZ PHE 14 9.618 0.637 -4.256 97 H CYS 15 H CYS 15 7.585 -4.136 1.755 98 HA CYS 15 HA CYS 15 9.038 -6.076 3.461 99 HB2 CYS 15 1HB CYS 15 8.586 -4.954 5.484 100 HB3 CYS 15 2HB CYS 15 9.405 -3.843 4.403 101 H LYS 16 H LYS 16 6.593 -5.948 1.560 102 HA LYS 16 HA LYS 16 4.747 -7.159 1.162 103 HB2 LYS 16 1HB LYS 16 6.171 -9.049 3.047 104 HB3 LYS 16 2HB LYS 16 4.836 -9.508 1.983 105 HG2 LYS 16 1HG LYS 16 6.105 -8.771 0.004 106 HG3 LYS 16 2HG LYS 16 7.482 -8.337 1.033 107 HD2 LYS 16 1HD LYS 16 7.677 -10.665 1.803 108 HD3 LYS 16 2HD LYS 16 6.312 -11.151 0.786 109 HE2 LYS 16 1HE LYS 16 8.825 -9.805 -0.292 110 HE3 LYS 16 2HE LYS 16 8.687 -11.560 -0.124 111 HZ1 LYS 16 3HZ LYS 16 6.777 -11.500 -1.631 112 HZ2 LYS 16 1HZ LYS 16 8.089 -10.868 -2.359 113 HZ3 LYS 16 2HZ LYS 16 6.912 -9.880 -1.813 114 H LYS 17 H LYS 17 4.488 -5.455 3.797 115 HA LYS 17 HA LYS 17 2.179 -6.630 5.133 116 HB2 LYS 17 1HB LYS 17 3.106 -3.737 4.927 117 HB3 LYS 17 2HB LYS 17 1.807 -4.357 5.968 118 HG2 LYS 17 1HG LYS 17 3.374 -5.655 7.291 119 HG3 LYS 17 2HG LYS 17 4.663 -5.417 6.107 120 HD2 LYS 17 1HD LYS 17 4.582 -2.930 6.606 121 HD3 LYS 17 2HD LYS 17 3.453 -3.290 7.915 122 HE2 LYS 17 1HE LYS 17 5.717 -3.053 8.787 123 HE3 LYS 17 2HE LYS 17 5.158 -4.712 9.013 124 HZ1 LYS 17 3HZ LYS 17 6.880 -3.869 6.729 125 HZ2 LYS 17 1HZ LYS 17 6.499 -5.393 7.140 126 HZ3 LYS 17 2HZ LYS 17 7.471 -4.518 8.124 127 H LYS 18 H LYS 18 0.032 -5.480 5.163 128 HA LYS 18 HA LYS 18 -0.830 -4.627 2.442 129 HB2 LYS 18 1HB LYS 18 -2.390 -6.294 2.218 130 HB3 LYS 18 2HB LYS 18 -0.973 -7.071 2.904 131 HG2 LYS 18 1HG LYS 18 -2.778 -8.090 3.957 132 HG3 LYS 18 2HG LYS 18 -2.048 -7.049 5.162 133 HD2 LYS 18 1HD LYS 18 -4.554 -7.135 5.210 134 HD3 LYS 18 2HD LYS 18 -3.904 -5.522 5.095 135 HE2 LYS 18 1HE LYS 18 -5.782 -5.610 3.636 136 HE3 LYS 18 2HE LYS 18 -4.353 -5.532 2.616 137 HZ1 LYS 18 3HZ LYS 18 -5.772 -7.172 1.730 138 HZ2 LYS 18 1HZ LYS 18 -6.011 -7.932 3.171 139 HZ3 LYS 18 2HZ LYS 18 -4.558 -8.022 2.414 140 H TYR 19 H TYR 19 -2.850 -3.607 2.235 141 HA TYR 19 HA TYR 19 -3.797 -2.190 4.695 142 HB2 TYR 19 1HB TYR 19 -2.862 -0.970 2.075 143 HB3 TYR 19 2HB TYR 19 -3.777 -0.089 3.293 144 HD1 TYR 19 1HD TYR 19 -2.864 0.305 5.572 145 HD2 TYR 19 2HD TYR 19 -0.486 -1.497 2.457 146 HE1 TYR 19 1HE TYR 19 -0.808 0.643 6.941 147 HE2 TYR 19 2HE TYR 19 1.569 -1.156 3.828 148 HH TYR 19 HH TYR 19 2.416 -0.421 5.832 149 H SER 20 H SER 20 -5.787 -1.001 4.477 150 HA SER 20 HA SER 20 -7.835 -2.501 2.989 151 HB2 SER 20 1HB SER 20 -9.387 -1.177 4.424 152 HB3 SER 20 2HB SER 20 -8.213 -2.142 5.333 153 HG SER 20 HG SER 20 -8.392 0.015 6.138 154 H ASP 21 H ASP 21 -6.110 0.442 2.555 155 HA ASP 21 HA ASP 21 -7.617 0.986 0.115 156 HB2 ASP 21 1HB ASP 21 -8.656 2.337 2.083 157 HB3 ASP 21 2HB ASP 21 -7.183 3.302 2.019 158 H VAL 22 H VAL 22 -6.381 2.341 -1.360 159 HA VAL 22 HA VAL 22 -3.601 1.581 -1.336 160 HB VAL 22 HB VAL 22 -5.056 1.845 -3.339 161 HG11 VAL 22 1HG1 VAL 22 -5.311 3.961 -4.463 162 HG12 VAL 22 2HG1 VAL 22 -6.062 4.054 -2.866 163 HG13 VAL 22 3HG1 VAL 22 -4.478 4.821 -3.160 164 HG21 VAL 22 3HG2 VAL 22 -2.602 1.592 -3.510 165 HG22 VAL 22 1HG2 VAL 22 -3.291 2.538 -4.839 166 HG23 VAL 22 2HG2 VAL 22 -2.435 3.359 -3.521 167 H LYS 23 H LYS 23 -5.204 4.533 -0.328 168 HA LYS 23 HA LYS 23 -2.901 6.205 -0.581 169 HB2 LYS 23 1HB LYS 23 -5.261 6.691 1.300 170 HB3 LYS 23 2HB LYS 23 -4.085 7.869 0.732 171 HG2 LYS 23 1HG LYS 23 -5.724 8.375 -0.759 172 HG3 LYS 23 2HG LYS 23 -4.965 7.076 -1.685 173 HD2 LYS 23 1HD LYS 23 -6.655 5.497 -0.552 174 HD3 LYS 23 2HD LYS 23 -7.457 6.936 0.079 175 HE2 LYS 23 1HE LYS 23 -7.882 7.725 -2.217 176 HE3 LYS 23 2HE LYS 23 -6.957 6.368 -2.878 177 HZ1 LYS 23 3HZ LYS 23 -9.474 6.125 -1.323 178 HZ2 LYS 23 1HZ LYS 23 -8.590 4.859 -1.808 179 HZ3 LYS 23 2HZ LYS 23 -9.310 5.834 -2.927 180 H ASN 24 H ASN 24 -4.043 4.168 2.059 181 HA ASN 24 HA ASN 24 -2.117 5.018 4.043 182 HB2 ASN 24 1HB ASN 24 -3.690 2.421 3.703 183 HB3 ASN 24 2HB ASN 24 -2.742 2.848 5.126 184 HD21 ASN 24 1HD2 ASN 24 -3.468 4.635 6.490 185 HD22 ASN 24 2HD2 ASN 24 -5.140 5.163 6.380 186 H LEU 25 H LEU 25 -2.050 2.499 1.485 187 HA LEU 25 HA LEU 25 0.561 1.492 2.148 188 HB2 LEU 25 1HB LEU 25 -0.962 0.204 0.768 189 HB3 LEU 25 2HB LEU 25 -1.052 1.486 -0.431 190 HG LEU 25 HG LEU 25 1.310 1.172 -1.027 191 HD11 LEU 25 1HD1 LEU 25 2.196 0.304 1.142 192 HD12 LEU 25 2HD1 LEU 25 2.583 -0.738 -0.220 193 HD13 LEU 25 3HD1 LEU 25 1.280 -1.201 0.893 194 HD21 LEU 25 3HD2 LEU 25 -0.445 -0.090 -2.204 195 HD22 LEU 25 1HD2 LEU 25 -0.256 -1.421 -1.039 196 HD23 LEU 25 2HD2 LEU 25 1.077 -0.988 -2.129 197 H ILE 26 H ILE 26 -0.498 4.092 -0.125 198 HA ILE 26 HA ILE 26 2.145 4.752 -1.015 199 HB ILE 26 HB ILE 26 -0.438 6.341 -0.936 200 HG12 ILE 26 1HG1 ILE 26 1.117 5.100 -3.261 201 HG13 ILE 26 2HG1 ILE 26 -0.178 4.262 -2.422 202 HG21 ILE 26 1HG2 ILE 26 2.221 7.122 -2.227 203 HG22 ILE 26 2HG2 ILE 26 0.673 7.951 -2.502 204 HG23 ILE 26 3HG2 ILE 26 1.397 7.984 -0.905 205 HD11 ILE 26 3HD1 ILE 26 -1.773 6.064 -3.063 206 HD12 ILE 26 1HD1 ILE 26 -0.483 6.820 -4.033 207 HD13 ILE 26 2HD1 ILE 26 -1.058 5.202 -4.442 208 H LYS 27 H LYS 27 0.247 6.110 1.732 209 HA LYS 27 HA LYS 27 2.309 7.868 2.692 210 HB2 LYS 27 1HB LYS 27 -0.018 6.465 4.062 211 HB3 LYS 27 2HB LYS 27 1.071 7.569 4.915 212 HG2 LYS 27 1HG LYS 27 0.519 9.404 3.412 213 HG3 LYS 27 2HG LYS 27 -0.506 8.354 2.425 214 HD2 LYS 27 1HD LYS 27 -2.006 7.976 4.367 215 HD3 LYS 27 2HD LYS 27 -0.974 9.028 5.364 216 HE2 LYS 27 1HE LYS 27 -1.398 10.911 3.780 217 HE3 LYS 27 2HE LYS 27 -2.454 9.861 2.825 218 HZ1 LYS 27 3HZ LYS 27 -2.923 10.632 5.660 219 HZ2 LYS 27 1HZ LYS 27 -3.904 9.662 4.783 220 HZ3 LYS 27 2HZ LYS 27 -3.729 11.232 4.375 221 H HIS 28 H HIS 28 1.740 4.402 3.425 222 HA HIS 28 HA HIS 28 3.904 4.082 5.258 223 HB2 HIS 28 1HB HIS 28 2.251 2.389 5.108 224 HB3 HIS 28 2HB HIS 28 2.448 2.202 3.374 225 HD1 HIS 28 1HD HIS 28 4.333 1.337 6.613 226 HD2 HIS 28 2HD HIS 28 4.328 0.572 2.476 227 HE1 HIS 28 1HE HIS 28 5.996 -0.535 6.259 228 H ILE 29 H ILE 29 3.882 3.664 1.669 229 HA ILE 29 HA ILE 29 6.662 3.010 1.442 230 HB ILE 29 HB ILE 29 4.712 4.238 -0.525 231 HG12 ILE 29 1HG1 ILE 29 5.816 1.396 -0.503 232 HG13 ILE 29 2HG1 ILE 29 4.358 1.821 0.374 233 HG21 ILE 29 1HG2 ILE 29 6.317 3.600 -2.316 234 HG22 ILE 29 2HG2 ILE 29 7.017 4.801 -1.248 235 HG23 ILE 29 3HG2 ILE 29 7.483 3.093 -1.084 236 HD11 ILE 29 3HD1 ILE 29 3.301 2.632 -1.740 237 HD12 ILE 29 1HD1 ILE 29 4.731 2.068 -2.636 238 HD13 ILE 29 2HD1 ILE 29 3.725 0.907 -1.764 239 H ARG 30 H ARG 30 5.010 6.195 1.298 240 HA ARG 30 HA ARG 30 7.428 7.739 0.947 241 HB2 ARG 30 1HB ARG 30 4.638 8.435 1.943 242 HB3 ARG 30 2HB ARG 30 5.913 9.639 1.721 243 HG2 ARG 30 1HG ARG 30 6.091 9.141 -0.654 244 HG3 ARG 30 2HG ARG 30 4.922 7.820 -0.519 245 HD2 ARG 30 1HD ARG 30 3.182 9.420 0.208 246 HD3 ARG 30 2HD ARG 30 4.348 10.754 0.059 247 HE ARG 30 HE ARG 30 4.305 9.400 -2.422 248 HH11 ARG 30 2HH1 ARG 30 2.072 11.355 -0.563 249 HH12 ARG 30 1HH1 ARG 30 1.208 11.882 -1.981 250 HH21 ARG 30 2HH2 ARG 30 3.165 10.116 -4.191 251 HH22 ARG 30 1HH2 ARG 30 1.820 11.197 -3.979 252 H ASP 31 H ASP 31 6.161 6.259 3.815 253 HA ASP 31 HA ASP 31 7.801 7.972 5.591 254 HB2 ASP 31 1HB ASP 31 5.477 7.392 6.184 255 HB3 ASP 31 2HB ASP 31 5.913 5.682 6.221 256 H MET 32 H MET 32 7.717 4.547 4.519 257 HA MET 32 HA MET 32 10.195 4.007 6.102 258 HB2 MET 32 1HB MET 32 8.142 2.079 4.955 259 HB3 MET 32 2HB MET 32 9.547 1.666 5.941 260 HG2 MET 32 1HG MET 32 8.535 3.298 7.704 261 HG3 MET 32 2HG MET 32 7.055 3.168 6.748 262 HE1 MET 32 3HE MET 32 9.508 1.507 9.249 263 HE2 MET 32 1HE MET 32 8.997 -0.194 9.283 264 HE3 MET 32 2HE MET 32 9.835 0.448 7.858 265 H HIS 33 H HIS 33 9.204 4.242 2.768 266 HA HIS 33 HA HIS 33 11.727 2.944 1.846 267 HB2 HIS 33 1HB HIS 33 9.029 2.498 0.551 268 HB3 HIS 33 2HB HIS 33 10.535 1.649 0.228 269 HD1 HIS 33 1HD HIS 33 11.335 0.435 2.946 270 HD2 HIS 33 2HD HIS 33 7.368 0.950 1.669 271 HE1 HIS 33 1HE HIS 33 9.958 -1.233 4.287 272 H ASP 34 H ASP 34 11.213 5.750 2.121 273 HA ASP 34 HA ASP 34 10.015 6.969 -0.052 274 HB2 ASP 34 1HB ASP 34 10.940 9.035 0.723 275 HB3 ASP 34 2HB ASP 34 10.365 8.052 2.060 276 HA PRO 35 HA PRO 35 13.005 6.724 -3.390 277 HB2 PRO 35 1HB PRO 35 11.588 9.196 -4.375 278 HB3 PRO 35 2HB PRO 35 12.024 7.709 -5.276 279 HG2 PRO 35 1HG PRO 35 9.479 8.092 -4.442 280 HG3 PRO 35 2HG PRO 35 10.247 6.481 -4.240 281 HD2 PRO 35 1HD PRO 35 9.930 8.682 -2.172 282 HD3 PRO 35 2HD PRO 35 9.590 6.928 -2.041 283 H GLN 36 H GLN 36 14.845 7.785 -4.234 284 HA GLN 36 HA GLN 36 16.067 9.750 -2.480 285 HB2 GLN 36 1HB GLN 36 18.068 9.371 -3.752 286 HB3 GLN 36 2HB GLN 36 17.301 7.832 -3.374 287 HG2 GLN 36 1HG GLN 36 16.383 7.721 -5.697 288 HG3 GLN 36 2HG GLN 36 17.156 9.266 -6.071 289 HE21 GLN 36 1HE2 GLN 36 19.592 9.339 -5.992 290 HE22 GLN 36 2HE2 GLN 36 20.458 7.841 -6.303 291 H ASP 37 H ASP 37 14.118 10.156 -5.229 292 HA ASP 37 HA ASP 37 14.822 13.017 -5.498 293 HB2 ASP 37 1HB ASP 37 16.221 11.878 -7.173 294 HB3 ASP 37 2HB ASP 37 14.809 11.065 -7.832 Start of MODEL 20 1 H1 GLY 1 1H GLY 1 -4.139 -19.372 -16.863 2 H2 GLY 1 2H GLY 1 -4.553 -20.937 -16.614 3 H3 GLY 1 3H GLY 1 -4.426 -19.910 -15.344 4 HA2 GLY 1 1HA GLY 1 -6.429 -19.717 -17.497 5 HA3 GLY 1 2HA GLY 1 -6.745 -20.324 -15.860 6 H SER 2 H SER 2 -7.858 -17.983 -17.364 7 HA SER 2 HA SER 2 -6.879 -15.551 -16.154 8 HB2 SER 2 1HB SER 2 -9.528 -16.119 -17.534 9 HB3 SER 2 2HB SER 2 -8.846 -14.520 -17.186 10 HG SER 2 HG SER 2 -8.414 -15.208 -19.342 11 H SER 3 H SER 3 -7.990 -14.142 -14.722 12 HA SER 3 HA SER 3 -8.943 -13.569 -12.751 13 HB2 SER 3 1HB SER 3 -10.944 -13.954 -14.245 14 HB3 SER 3 2HB SER 3 -11.179 -15.500 -13.411 15 HG SER 3 HG SER 3 -12.372 -13.694 -12.510 16 H GLY 4 H GLY 4 -10.524 -15.017 -10.881 17 HA2 GLY 4 1HA GLY 4 -10.414 -16.576 -9.159 18 HA3 GLY 4 2HA GLY 4 -9.039 -17.361 -9.935 19 H SER 5 H SER 5 -8.723 -13.939 -9.380 20 HA SER 5 HA SER 5 -6.423 -14.136 -7.758 21 HB2 SER 5 1HB SER 5 -8.327 -11.779 -8.021 22 HB3 SER 5 2HB SER 5 -6.644 -11.719 -7.463 23 HG SER 5 HG SER 5 -6.838 -11.179 -9.691 24 H SER 6 H SER 6 -5.994 -13.912 -5.593 25 HA SER 6 HA SER 6 -7.934 -15.004 -3.833 26 HB2 SER 6 1HB SER 6 -5.235 -13.795 -3.144 27 HB3 SER 6 2HB SER 6 -6.163 -14.953 -2.171 28 HG SER 6 HG SER 6 -4.534 -15.988 -3.416 29 H GLY 7 H GLY 7 -7.318 -11.649 -4.458 30 HA2 GLY 7 1HA GLY 7 -9.430 -10.694 -2.865 31 HA3 GLY 7 2HA GLY 7 -7.963 -10.507 -1.901 32 H ILE 8 H ILE 8 -9.240 -8.282 -2.389 33 HA ILE 8 HA ILE 8 -8.074 -6.942 -4.782 34 HB ILE 8 HB ILE 8 -9.870 -5.322 -4.580 35 HG12 ILE 8 1HG1 ILE 8 -10.970 -7.021 -2.291 36 HG13 ILE 8 2HG1 ILE 8 -10.180 -5.454 -2.093 37 HG21 ILE 8 1HG2 ILE 8 -11.637 -6.741 -5.405 38 HG22 ILE 8 2HG2 ILE 8 -10.095 -7.419 -5.927 39 HG23 ILE 8 3HG2 ILE 8 -10.973 -8.160 -4.572 40 HD11 ILE 8 3HD1 ILE 8 -12.797 -5.969 -3.559 41 HD12 ILE 8 1HD1 ILE 8 -12.565 -5.134 -2.016 42 HD13 ILE 8 2HD1 ILE 8 -11.951 -4.402 -3.511 43 H LYS 9 H LYS 9 -7.243 -7.134 -1.608 44 HA LYS 9 HA LYS 9 -6.774 -4.381 -0.937 45 HB2 LYS 9 1HB LYS 9 -5.762 -5.116 1.002 46 HB3 LYS 9 2HB LYS 9 -6.960 -6.350 0.674 47 HG2 LYS 9 1HG LYS 9 -3.947 -6.543 0.220 48 HG3 LYS 9 2HG LYS 9 -4.868 -7.293 1.513 49 HD2 LYS 9 1HD LYS 9 -6.042 -8.735 -0.132 50 HD3 LYS 9 2HD LYS 9 -5.097 -7.991 -1.447 51 HE2 LYS 9 1HE LYS 9 -2.993 -8.711 -0.337 52 HE3 LYS 9 2HE LYS 9 -3.939 -9.503 0.931 53 HZ1 LYS 9 3HZ LYS 9 -4.028 -10.216 -1.959 54 HZ2 LYS 9 1HZ LYS 9 -4.885 -10.964 -0.777 55 HZ3 LYS 9 2HZ LYS 9 -3.258 -11.073 -0.806 56 H GLN 10 H GLN 10 -4.722 -3.358 -0.517 57 HA GLN 10 HA GLN 10 -2.724 -3.737 -2.692 58 HB2 GLN 10 1HB GLN 10 -2.970 -1.540 -0.591 59 HB3 GLN 10 2HB GLN 10 -1.750 -1.656 -1.837 60 HG2 GLN 10 1HG GLN 10 -3.328 -0.043 -2.544 61 HG3 GLN 10 2HG GLN 10 -3.455 -1.441 -3.604 62 HE21 GLN 10 1HE2 GLN 10 -4.999 -0.945 -0.326 63 HE22 GLN 10 2HE2 GLN 10 -6.627 -0.975 -0.987 64 H HIS 11 H HIS 11 -0.438 -3.862 -2.121 65 HA HIS 11 HA HIS 11 0.185 -4.441 0.689 66 HB2 HIS 11 1HB HIS 11 1.482 -6.401 0.259 67 HB3 HIS 11 2HB HIS 11 -0.151 -6.669 -0.328 68 HD1 HIS 11 1HD HIS 11 3.422 -6.048 -1.686 69 HD2 HIS 11 2HD HIS 11 -0.442 -7.172 -2.942 70 HE1 HIS 11 1HE HIS 11 3.659 -6.881 -4.086 71 H CYS 12 H CYS 12 2.316 -4.072 1.304 72 HA CYS 12 HA CYS 12 3.800 -2.013 -0.019 73 HB2 CYS 12 1HB CYS 12 3.827 -2.457 2.385 74 HB3 CYS 12 2HB CYS 12 4.589 -4.034 2.097 75 H ARG 13 H ARG 13 5.596 -2.067 -1.252 76 HA ARG 13 HA ARG 13 6.192 -4.551 -2.792 77 HB2 ARG 13 1HB ARG 13 7.047 -1.667 -3.261 78 HB3 ARG 13 2HB ARG 13 7.413 -3.038 -4.314 79 HG2 ARG 13 1HG ARG 13 4.938 -3.429 -4.591 80 HG3 ARG 13 2HG ARG 13 4.634 -1.925 -3.711 81 HD2 ARG 13 1HD ARG 13 6.248 -2.186 -6.283 82 HD3 ARG 13 2HD ARG 13 4.557 -1.665 -6.186 83 HE ARG 13 HE ARG 13 5.901 0.077 -4.491 84 HH11 ARG 13 2HH1 ARG 13 6.153 -0.659 -7.907 85 HH12 ARG 13 1HH1 ARG 13 6.745 0.932 -8.302 86 HH21 ARG 13 2HH2 ARG 13 6.659 2.099 -5.071 87 HH22 ARG 13 1HH2 ARG 13 7.017 2.440 -6.735 88 H PHE 14 H PHE 14 7.394 -3.092 -0.051 89 HA PHE 14 HA PHE 14 10.204 -4.040 -0.531 90 HB2 PHE 14 1HB PHE 14 9.232 -1.732 1.165 91 HB3 PHE 14 2HB PHE 14 10.904 -2.174 0.866 92 HD1 PHE 14 2HD PHE 14 11.938 -1.789 -1.375 93 HD2 PHE 14 1HD PHE 14 7.919 -0.500 -0.485 94 HE1 PHE 14 2HE PHE 14 11.967 -0.310 -3.372 95 HE2 PHE 14 1HE PHE 14 7.951 0.968 -2.489 96 HZ PHE 14 HZ PHE 14 9.974 1.069 -3.932 97 H CYS 15 H CYS 15 7.561 -3.958 1.844 98 HA CYS 15 HA CYS 15 8.980 -6.066 3.373 99 HB2 CYS 15 1HB CYS 15 8.553 -5.100 5.470 100 HB3 CYS 15 2HB CYS 15 9.360 -3.905 4.478 101 H LYS 16 H LYS 16 6.497 -5.660 1.506 102 HA LYS 16 HA LYS 16 4.593 -6.756 1.017 103 HB2 LYS 16 1HB LYS 16 5.966 -8.951 2.590 104 HB3 LYS 16 2HB LYS 16 4.654 -9.174 1.426 105 HG2 LYS 16 1HG LYS 16 6.069 -8.202 -0.376 106 HG3 LYS 16 2HG LYS 16 7.394 -8.001 0.776 107 HD2 LYS 16 1HD LYS 16 7.818 -9.971 -0.508 108 HD3 LYS 16 2HD LYS 16 7.445 -10.459 1.152 109 HE2 LYS 16 1HE LYS 16 5.126 -11.035 0.461 110 HE3 LYS 16 2HE LYS 16 5.474 -10.489 -1.186 111 HZ1 LYS 16 3HZ LYS 16 5.698 -12.900 -0.982 112 HZ2 LYS 16 1HZ LYS 16 6.833 -12.756 0.181 113 HZ3 LYS 16 2HZ LYS 16 7.150 -12.255 -1.342 114 H LYS 17 H LYS 17 4.438 -5.366 3.785 115 HA LYS 17 HA LYS 17 2.295 -6.711 5.174 116 HB2 LYS 17 1HB LYS 17 3.103 -3.775 5.122 117 HB3 LYS 17 2HB LYS 17 1.910 -4.487 6.227 118 HG2 LYS 17 1HG LYS 17 3.600 -5.921 7.243 119 HG3 LYS 17 2HG LYS 17 4.800 -5.433 6.037 120 HD2 LYS 17 1HD LYS 17 4.650 -3.074 6.874 121 HD3 LYS 17 2HD LYS 17 3.534 -3.618 8.131 122 HE2 LYS 17 1HE LYS 17 5.807 -3.392 9.011 123 HE3 LYS 17 2HE LYS 17 5.266 -5.069 9.099 124 HZ1 LYS 17 3HZ LYS 17 6.955 -4.043 6.871 125 HZ2 LYS 17 1HZ LYS 17 6.619 -5.596 7.204 126 HZ3 LYS 17 2HZ LYS 17 7.582 -4.752 8.222 127 H LYS 18 H LYS 18 0.120 -6.312 5.220 128 HA LYS 18 HA LYS 18 -1.132 -5.675 2.623 129 HB2 LYS 18 1HB LYS 18 -2.185 -6.779 5.251 130 HB3 LYS 18 2HB LYS 18 -3.176 -6.562 3.796 131 HG2 LYS 18 1HG LYS 18 -1.752 -8.153 2.552 132 HG3 LYS 18 2HG LYS 18 -0.712 -8.360 3.975 133 HD2 LYS 18 1HD LYS 18 -2.682 -9.199 5.267 134 HD3 LYS 18 2HD LYS 18 -3.671 -9.087 3.796 135 HE2 LYS 18 1HE LYS 18 -2.146 -10.682 2.652 136 HE3 LYS 18 2HE LYS 18 -1.126 -10.753 4.091 137 HZ1 LYS 18 3HZ LYS 18 -3.004 -11.708 5.311 138 HZ2 LYS 18 1HZ LYS 18 -2.666 -12.630 4.010 139 HZ3 LYS 18 2HZ LYS 18 -3.964 -11.639 3.991 140 H TYR 19 H TYR 19 -2.485 -4.046 2.175 141 HA TYR 19 HA TYR 19 -3.441 -2.190 4.302 142 HB2 TYR 19 1HB TYR 19 -1.785 -1.487 1.868 143 HB3 TYR 19 2HB TYR 19 -2.898 -0.324 2.580 144 HD1 TYR 19 1HD TYR 19 -2.633 0.457 4.920 145 HD2 TYR 19 2HD TYR 19 0.350 -1.990 2.982 146 HE1 TYR 19 1HE TYR 19 -1.007 1.026 6.714 147 HE2 TYR 19 2HE TYR 19 1.982 -1.407 4.782 148 HH TYR 19 HH TYR 19 1.073 0.668 7.565 149 H SER 20 H SER 20 -5.592 -2.219 4.178 150 HA SER 20 HA SER 20 -7.072 -3.049 1.874 151 HB2 SER 20 1HB SER 20 -8.047 -1.527 4.318 152 HB3 SER 20 2HB SER 20 -9.041 -2.469 3.189 153 HG SER 20 HG SER 20 -8.504 -3.665 5.081 154 H ASP 21 H ASP 21 -5.778 0.050 2.636 155 HA ASP 21 HA ASP 21 -7.532 1.425 0.639 156 HB2 ASP 21 1HB ASP 21 -8.131 2.056 2.911 157 HB3 ASP 21 2HB ASP 21 -6.445 2.408 3.297 158 H VAL 22 H VAL 22 -6.538 2.504 -0.956 159 HA VAL 22 HA VAL 22 -3.816 1.938 -1.514 160 HB VAL 22 HB VAL 22 -5.571 2.290 -3.194 161 HG11 VAL 22 1HG1 VAL 22 -6.240 4.449 -4.007 162 HG12 VAL 22 2HG1 VAL 22 -6.636 4.370 -2.286 163 HG13 VAL 22 3HG1 VAL 22 -5.218 5.291 -2.836 164 HG21 VAL 22 3HG2 VAL 22 -3.179 2.313 -3.816 165 HG22 VAL 22 1HG2 VAL 22 -4.170 3.320 -4.885 166 HG23 VAL 22 2HG2 VAL 22 -3.158 4.081 -3.643 167 H LYS 23 H LYS 23 -5.274 4.963 -0.310 168 HA LYS 23 HA LYS 23 -2.791 6.386 -0.598 169 HB2 LYS 23 1HB LYS 23 -3.900 8.199 0.714 170 HB3 LYS 23 2HB LYS 23 -4.762 7.657 -0.728 171 HG2 LYS 23 1HG LYS 23 -6.281 6.295 0.661 172 HG3 LYS 23 2HG LYS 23 -5.431 6.847 2.127 173 HD2 LYS 23 1HD LYS 23 -6.155 9.136 1.722 174 HD3 LYS 23 2HD LYS 23 -6.772 8.699 0.119 175 HE2 LYS 23 1HE LYS 23 -8.594 8.969 1.769 176 HE3 LYS 23 2HE LYS 23 -8.542 7.359 1.042 177 HZ1 LYS 23 3HZ LYS 23 -8.883 7.297 3.462 178 HZ2 LYS 23 1HZ LYS 23 -7.420 7.977 3.719 179 HZ3 LYS 23 2HZ LYS 23 -7.540 6.487 3.020 180 H ASN 24 H ASN 24 -4.180 4.555 2.076 181 HA ASN 24 HA ASN 24 -2.098 5.240 3.987 182 HB2 ASN 24 1HB ASN 24 -4.152 3.010 3.835 183 HB3 ASN 24 2HB ASN 24 -2.945 3.100 5.114 184 HD21 ASN 24 1HD2 ASN 24 -5.572 3.158 5.857 185 HD22 ASN 24 2HD2 ASN 24 -5.953 4.773 6.430 186 H LEU 25 H LEU 25 -2.359 2.631 1.510 187 HA LEU 25 HA LEU 25 0.179 1.419 2.114 188 HB2 LEU 25 1HB LEU 25 -1.305 0.325 0.582 189 HB3 LEU 25 2HB LEU 25 -1.405 1.701 -0.474 190 HG LEU 25 HG LEU 25 -0.025 -0.190 -1.334 191 HD11 LEU 25 1HD1 LEU 25 1.499 0.935 -2.502 192 HD12 LEU 25 2HD1 LEU 25 1.638 2.229 -1.307 193 HD13 LEU 25 3HD1 LEU 25 0.143 2.022 -2.252 194 HD21 LEU 25 3HD2 LEU 25 0.985 -0.868 0.794 195 HD22 LEU 25 1HD2 LEU 25 2.064 0.537 0.688 196 HD23 LEU 25 2HD2 LEU 25 2.104 -0.719 -0.562 197 H ILE 26 H ILE 26 -0.637 4.090 -0.184 198 HA ILE 26 HA ILE 26 2.040 4.421 -0.928 199 HB ILE 26 HB ILE 26 -0.309 6.333 -1.147 200 HG12 ILE 26 1HG1 ILE 26 1.201 4.559 -3.137 201 HG13 ILE 26 2HG1 ILE 26 -0.366 4.198 -2.425 202 HG21 ILE 26 1HG2 ILE 26 1.725 7.734 -1.140 203 HG22 ILE 26 2HG2 ILE 26 2.479 6.671 -2.353 204 HG23 ILE 26 3HG2 ILE 26 1.055 7.661 -2.754 205 HD11 ILE 26 3HD1 ILE 26 0.230 6.393 -4.416 206 HD12 ILE 26 1HD1 ILE 26 -0.747 4.939 -4.637 207 HD13 ILE 26 2HD1 ILE 26 -1.321 6.220 -3.546 208 H LYS 27 H LYS 27 0.235 6.101 1.663 209 HA LYS 27 HA LYS 27 2.280 7.810 2.689 210 HB2 LYS 27 1HB LYS 27 -0.028 6.308 3.972 211 HB3 LYS 27 2HB LYS 27 1.045 7.339 4.917 212 HG2 LYS 27 1HG LYS 27 0.379 9.313 3.823 213 HG3 LYS 27 2HG LYS 27 -0.315 8.455 2.449 214 HD2 LYS 27 1HD LYS 27 -2.065 9.398 3.895 215 HD3 LYS 27 2HD LYS 27 -2.170 7.643 3.788 216 HE2 LYS 27 1HE LYS 27 -0.970 7.477 6.001 217 HE3 LYS 27 2HE LYS 27 -1.031 9.243 6.117 218 HZ1 LYS 27 3HZ LYS 27 -3.400 7.443 5.923 219 HZ2 LYS 27 1HZ LYS 27 -3.471 9.078 6.039 220 HZ3 LYS 27 2HZ LYS 27 -2.894 8.196 7.284 221 H HIS 28 H HIS 28 1.674 4.331 3.464 222 HA HIS 28 HA HIS 28 3.858 4.051 5.286 223 HB2 HIS 28 1HB HIS 28 2.172 2.376 5.232 224 HB3 HIS 28 2HB HIS 28 2.373 2.080 3.515 225 HD1 HIS 28 1HD HIS 28 4.096 1.265 6.833 226 HD2 HIS 28 2HD HIS 28 4.284 0.425 2.721 227 HE1 HIS 28 1HE HIS 28 5.759 -0.635 6.598 228 H ILE 29 H ILE 29 3.783 3.537 1.710 229 HA ILE 29 HA ILE 29 6.553 2.799 1.525 230 HB ILE 29 HB ILE 29 4.682 3.962 -0.553 231 HG12 ILE 29 1HG1 ILE 29 5.591 1.085 -0.059 232 HG13 ILE 29 2HG1 ILE 29 4.030 1.748 0.395 233 HG21 ILE 29 1HG2 ILE 29 7.007 4.395 -1.254 234 HG22 ILE 29 2HG2 ILE 29 7.434 2.702 -0.930 235 HG23 ILE 29 3HG2 ILE 29 6.316 3.127 -2.245 236 HD11 ILE 29 3HD1 ILE 29 5.049 1.174 -2.391 237 HD12 ILE 29 1HD1 ILE 29 3.559 0.617 -1.598 238 HD13 ILE 29 2HD1 ILE 29 3.704 2.305 -2.118 239 H ARG 30 H ARG 30 4.995 6.014 1.184 240 HA ARG 30 HA ARG 30 7.442 7.455 0.689 241 HB2 ARG 30 1HB ARG 30 4.707 8.301 1.723 242 HB3 ARG 30 2HB ARG 30 6.022 9.446 1.423 243 HG2 ARG 30 1HG ARG 30 6.141 8.801 -0.934 244 HG3 ARG 30 2HG ARG 30 4.882 7.577 -0.704 245 HD2 ARG 30 1HD ARG 30 3.280 9.338 -0.036 246 HD3 ARG 30 2HD ARG 30 4.536 10.573 -0.268 247 HE ARG 30 HE ARG 30 4.371 9.133 -2.682 248 HH11 ARG 30 2HH1 ARG 30 2.251 11.259 -0.877 249 HH12 ARG 30 1HH1 ARG 30 1.392 11.764 -2.306 250 HH21 ARG 30 2HH2 ARG 30 3.239 9.829 -4.465 251 HH22 ARG 30 1HH2 ARG 30 1.945 10.975 -4.282 252 H ASP 31 H ASP 31 5.920 6.515 3.749 253 HA ASP 31 HA ASP 31 7.751 8.162 5.321 254 HB2 ASP 31 1HB ASP 31 5.385 7.683 5.936 255 HB3 ASP 31 2HB ASP 31 5.821 5.993 6.207 256 H MET 32 H MET 32 7.633 4.720 4.404 257 HA MET 32 HA MET 32 9.957 4.136 6.189 258 HB2 MET 32 1HB MET 32 7.904 2.314 4.884 259 HB3 MET 32 2HB MET 32 9.211 1.779 5.922 260 HG2 MET 32 1HG MET 32 6.957 3.643 6.753 261 HG3 MET 32 2HG MET 32 7.051 1.926 7.106 262 HE1 MET 32 3HE MET 32 8.658 0.797 8.820 263 HE2 MET 32 1HE MET 32 10.112 1.435 8.015 264 HE3 MET 32 2HE MET 32 9.897 1.655 9.760 265 H HIS 33 H HIS 33 9.200 4.141 2.725 266 HA HIS 33 HA HIS 33 11.775 2.705 2.187 267 HB2 HIS 33 1HB HIS 33 9.168 2.294 0.707 268 HB3 HIS 33 2HB HIS 33 10.656 1.366 0.541 269 HD1 HIS 33 1HD HIS 33 11.305 0.299 3.312 270 HD2 HIS 33 2HD HIS 33 7.392 0.906 1.909 271 HE1 HIS 33 1HE HIS 33 9.828 -1.230 4.710 272 H ASP 34 H ASP 34 10.558 5.676 1.739 273 HA ASP 34 HA ASP 34 10.595 6.239 -0.994 274 HB2 ASP 34 1HB ASP 34 9.766 7.714 0.736 275 HB3 ASP 34 2HB ASP 34 11.395 7.971 1.363 276 HA PRO 35 HA PRO 35 14.962 5.354 -1.584 277 HB2 PRO 35 1HB PRO 35 15.068 5.004 -4.262 278 HB3 PRO 35 2HB PRO 35 14.105 3.939 -3.200 279 HG2 PRO 35 1HG PRO 35 13.111 6.352 -4.763 280 HG3 PRO 35 2HG PRO 35 12.451 4.683 -4.774 281 HD2 PRO 35 1HD PRO 35 11.428 6.634 -3.162 282 HD3 PRO 35 2HD PRO 35 11.520 4.932 -2.638 283 H GLN 36 H GLN 36 15.071 7.752 -0.721 284 HA GLN 36 HA GLN 36 17.132 9.008 -2.310 285 HB2 GLN 36 1HB GLN 36 16.175 11.291 -2.188 286 HB3 GLN 36 2HB GLN 36 15.306 10.220 -3.287 287 HG2 GLN 36 1HG GLN 36 13.543 9.872 -1.592 288 HG3 GLN 36 2HG GLN 36 14.392 10.930 -0.463 289 HE21 GLN 36 1HE2 GLN 36 11.784 11.453 -1.087 290 HE22 GLN 36 2HE2 GLN 36 11.703 12.924 -2.080 291 H ASP 37 H ASP 37 18.491 10.238 -1.121 292 HA ASP 37 HA ASP 37 18.122 10.659 1.793 293 HB2 ASP 37 1HB ASP 37 19.120 8.421 1.591 294 HB3 ASP 37 2HB ASP 37 20.410 9.059 0.580
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