NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
504537 | 2em9 | 10181 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 1H GLY 1 2.001 -28.701 10.732 2 HA2 GLY 1 1HA GLY 1 1.503 -30.021 8.868 3 HA3 GLY 1 2HA GLY 1 1.510 -31.442 9.902 4 H SER 2 H SER 2 -0.374 -28.529 9.154 5 HA SER 2 HA SER 2 -2.786 -29.814 10.181 6 HB2 SER 2 1HB SER 2 -3.851 -27.612 9.790 7 HB3 SER 2 2HB SER 2 -2.418 -27.482 10.809 8 HG SER 2 HG SER 2 -2.894 -26.154 8.623 9 H SER 3 H SER 3 -1.628 -28.307 7.174 10 HA SER 3 HA SER 3 -2.221 -28.594 4.996 11 HB2 SER 3 1HB SER 3 -1.670 -30.974 5.551 12 HB3 SER 3 2HB SER 3 -3.376 -31.238 5.912 13 HG SER 3 HG SER 3 -3.757 -31.376 3.855 14 H GLY 4 H GLY 4 -3.962 -27.080 6.541 15 HA2 GLY 4 1HA GLY 4 -6.019 -26.296 5.234 16 HA3 GLY 4 2HA GLY 4 -6.633 -27.901 5.601 17 H SER 5 H SER 5 -6.868 -24.790 6.492 18 HA SER 5 HA SER 5 -8.137 -25.432 8.979 19 HB2 SER 5 1HB SER 5 -6.709 -23.847 10.331 20 HB3 SER 5 2HB SER 5 -5.912 -25.351 9.870 21 HG SER 5 HG SER 5 -5.180 -22.841 9.324 22 H SER 6 H SER 6 -9.002 -23.417 10.047 23 HA SER 6 HA SER 6 -9.965 -21.622 7.955 24 HB2 SER 6 1HB SER 6 -11.475 -22.846 9.661 25 HB3 SER 6 2HB SER 6 -10.920 -21.630 10.811 26 HG SER 6 HG SER 6 -12.679 -20.718 9.942 27 H GLY 7 H GLY 7 -9.573 -19.466 7.891 28 HA2 GLY 7 1HA GLY 7 -9.028 -17.571 9.619 29 HA3 GLY 7 2HA GLY 7 -7.522 -18.470 9.731 30 H THR 8 H THR 8 -9.532 -17.753 6.896 31 HA THR 8 HA THR 8 -7.170 -16.786 5.502 32 HB THR 8 HB THR 8 -9.996 -17.158 4.491 33 HG1 THR 8 HG1 THR 8 -7.761 -18.835 4.680 34 HG21 THR 8 3HG2 THR 8 -7.996 -17.256 2.455 35 HG22 THR 8 1HG2 THR 8 -7.806 -15.759 3.368 36 HG23 THR 8 2HG2 THR 8 -9.355 -16.143 2.616 37 H GLY 9 H GLY 9 -6.793 -14.799 6.539 38 HA2 GLY 9 1HA GLY 9 -8.795 -12.719 5.904 39 HA3 GLY 9 2HA GLY 9 -7.865 -12.708 7.395 40 H GLU 10 H GLU 10 -8.120 -11.137 4.623 41 HA GLU 10 HA GLU 10 -5.320 -10.325 4.668 42 HB2 GLU 10 1HB GLU 10 -5.139 -10.422 2.213 43 HB3 GLU 10 2HB GLU 10 -5.372 -12.014 2.921 44 HG2 GLU 10 1HG GLU 10 -6.780 -12.065 1.102 45 HG3 GLU 10 2HG GLU 10 -7.871 -11.621 2.413 46 H LYS 11 H LYS 11 -5.028 -8.187 4.291 47 HA LYS 11 HA LYS 11 -7.252 -6.455 4.422 48 HB2 LYS 11 1HB LYS 11 -4.322 -6.016 3.893 49 HB3 LYS 11 2HB LYS 11 -5.469 -4.683 3.860 50 HG2 LYS 11 1HG LYS 11 -5.879 -4.801 6.124 51 HG3 LYS 11 2HG LYS 11 -5.373 -6.488 6.234 52 HD2 LYS 11 1HD LYS 11 -3.036 -5.610 5.609 53 HD3 LYS 11 2HD LYS 11 -3.676 -4.020 6.034 54 HE2 LYS 11 1HE LYS 11 -2.798 -4.659 8.049 55 HE3 LYS 11 2HE LYS 11 -4.441 -5.276 8.214 56 HZ1 LYS 11 3HZ LYS 11 -3.742 -7.448 7.808 57 HZ2 LYS 11 1HZ LYS 11 -2.539 -6.824 8.821 58 HZ3 LYS 11 2HZ LYS 11 -2.257 -6.965 7.159 59 HA PRO 12 HA PRO 12 -8.411 -5.993 0.205 60 HB2 PRO 12 1HB PRO 12 -9.479 -3.499 0.294 61 HB3 PRO 12 2HB PRO 12 -10.282 -4.914 0.986 62 HG2 PRO 12 1HG PRO 12 -8.656 -2.803 2.351 63 HG3 PRO 12 2HG PRO 12 -10.183 -3.546 2.864 64 HD2 PRO 12 1HD PRO 12 -7.786 -4.290 3.880 65 HD3 PRO 12 2HD PRO 12 -9.136 -5.427 3.687 66 H TYR 13 H TYR 13 -6.664 -3.277 1.684 67 HA TYR 13 HA TYR 13 -5.713 -2.375 -0.907 68 HB2 TYR 13 1HB TYR 13 -4.970 -1.325 1.828 69 HB3 TYR 13 2HB TYR 13 -4.739 -0.517 0.281 70 HD1 TYR 13 HD2 TYR 13 -6.621 0.510 -0.880 71 HD2 TYR 13 HD1 TYR 13 -7.149 -1.395 2.888 72 HE1 TYR 13 HE2 TYR 13 -8.814 1.597 -0.645 73 HE2 TYR 13 HE1 TYR 13 -9.345 -0.315 3.133 74 HH TYR 13 HH TYR 13 -10.426 1.901 2.151 75 H ASN 14 H ASN 14 -3.801 -2.861 -1.779 76 HA ASN 14 HA ASN 14 -1.616 -3.801 -0.094 77 HB2 ASN 14 1HB ASN 14 -1.222 -5.741 -1.649 78 HB3 ASN 14 2HB ASN 14 -2.664 -5.884 -0.647 79 HD21 ASN 14 1HD2 ASN 14 -1.424 -5.949 -3.771 80 HD22 ASN 14 2HD2 ASN 14 -2.920 -5.989 -4.635 81 H CYS 15 H CYS 15 0.106 -2.658 -0.647 82 HA CYS 15 HA CYS 15 0.261 -1.081 -2.980 83 HB2 CYS 15 1HB CYS 15 1.458 -0.504 -0.920 84 HB3 CYS 15 2HB CYS 15 2.463 -1.940 -1.091 85 H LYS 16 H LYS 16 1.534 -1.283 -4.829 86 HA LYS 16 HA LYS 16 2.250 -4.053 -5.499 87 HB2 LYS 16 1HB LYS 16 0.594 -3.115 -6.983 88 HB3 LYS 16 2HB LYS 16 1.583 -1.686 -7.254 89 HG2 LYS 16 1HG LYS 16 1.784 -3.063 -9.172 90 HG3 LYS 16 2HG LYS 16 3.306 -3.178 -8.285 91 HD2 LYS 16 1HD LYS 16 2.926 -5.349 -7.646 92 HD3 LYS 16 2HD LYS 16 1.171 -5.175 -7.714 93 HE2 LYS 16 1HE LYS 16 1.568 -4.893 -10.269 94 HE3 LYS 16 2HE LYS 16 3.119 -5.661 -9.933 95 HZ1 LYS 16 3HZ LYS 16 2.124 -7.622 -9.879 96 HZ2 LYS 16 1HZ LYS 16 0.655 -6.892 -10.295 97 HZ3 LYS 16 2HZ LYS 16 1.061 -7.108 -8.668 98 H GLU 17 H GLU 17 3.509 -0.843 -5.144 99 HA GLU 17 HA GLU 17 5.842 -0.982 -6.646 100 HB2 GLU 17 1HB GLU 17 5.102 0.481 -4.135 101 HB3 GLU 17 2HB GLU 17 6.746 0.567 -4.752 102 HG2 GLU 17 1HG GLU 17 4.394 1.197 -6.494 103 HG3 GLU 17 2HG GLU 17 5.099 2.405 -5.421 104 H CYS 18 H CYS 18 5.535 -1.637 -3.150 105 HA CYS 18 HA CYS 18 8.000 -3.225 -3.302 106 HB2 CYS 18 1HB CYS 18 7.969 -3.047 -0.801 107 HB3 CYS 18 2HB CYS 18 8.113 -1.502 -1.633 108 H GLY 19 H GLY 19 4.631 -3.357 -2.251 109 HA2 GLY 19 1HA GLY 19 3.407 -5.423 -2.617 110 HA3 GLY 19 2HA GLY 19 4.871 -6.298 -2.192 111 H LYS 20 H LYS 20 3.341 -3.556 -0.546 112 HA LYS 20 HA LYS 20 3.282 -5.164 1.905 113 HB2 LYS 20 1HB LYS 20 3.373 -2.225 1.341 114 HB3 LYS 20 2HB LYS 20 2.733 -2.789 2.879 115 HG2 LYS 20 1HG LYS 20 4.912 -4.104 3.099 116 HG3 LYS 20 2HG LYS 20 5.505 -3.093 1.780 117 HD2 LYS 20 1HD LYS 20 6.177 -1.837 3.570 118 HD3 LYS 20 2HD LYS 20 4.570 -1.155 3.312 119 HE2 LYS 20 1HE LYS 20 5.253 -3.338 5.279 120 HE3 LYS 20 2HE LYS 20 5.009 -1.639 5.682 121 HZ1 LYS 20 3HZ LYS 20 2.732 -1.901 4.685 122 HZ2 LYS 20 1HZ LYS 20 2.992 -2.729 6.137 123 HZ3 LYS 20 2HZ LYS 20 3.005 -3.571 4.671 124 H SER 21 H SER 21 1.401 -4.175 3.428 125 HA SER 21 HA SER 21 -1.092 -4.207 1.865 126 HB2 SER 21 1HB SER 21 -2.108 -5.613 3.665 127 HB3 SER 21 2HB SER 21 -0.829 -6.436 2.773 128 HG SER 21 HG SER 21 -0.923 -6.346 5.281 129 H PHE 22 H PHE 22 -2.982 -3.420 3.135 130 HA PHE 22 HA PHE 22 -2.467 -1.797 5.454 131 HB2 PHE 22 1HB PHE 22 -3.204 -0.450 2.847 132 HB3 PHE 22 2HB PHE 22 -3.139 0.336 4.421 133 HD1 PHE 22 HD2 PHE 22 -1.097 -1.348 1.843 134 HD2 PHE 22 HD1 PHE 22 -1.112 1.138 5.297 135 HE1 PHE 22 HE2 PHE 22 1.285 -0.843 1.485 136 HE2 PHE 22 HE1 PHE 22 1.269 1.648 4.945 137 HZ PHE 22 HZ PHE 22 2.471 0.656 3.038 138 H ARG 23 H ARG 23 -4.298 -1.411 6.610 139 HA ARG 23 HA ARG 23 -6.656 -2.844 5.863 140 HB2 ARG 23 1HB ARG 23 -6.139 -0.967 8.178 141 HB3 ARG 23 2HB ARG 23 -7.569 -1.975 7.998 142 HG2 ARG 23 1HG ARG 23 -6.389 -3.938 8.380 143 HG3 ARG 23 2HG ARG 23 -4.835 -3.188 8.010 144 HD2 ARG 23 1HD ARG 23 -5.325 -1.706 10.068 145 HD3 ARG 23 2HD ARG 23 -6.514 -2.942 10.480 146 HE ARG 23 HE ARG 23 -4.307 -4.407 10.077 147 HH11 ARG 23 1HH1 ARG 23 -4.867 -1.514 11.930 148 HH12 ARG 23 2HH1 ARG 23 -3.650 -1.877 13.109 149 HH21 ARG 23 1HH2 ARG 23 -2.702 -4.896 11.622 150 HH22 ARG 23 2HH2 ARG 23 -2.419 -3.801 12.932 151 H TRP 24 H TRP 24 -5.896 0.600 6.316 152 HA TRP 24 HA TRP 24 -8.415 1.275 4.960 153 HB2 TRP 24 1HB TRP 24 -6.718 2.673 6.977 154 HB3 TRP 24 2HB TRP 24 -7.641 3.657 5.844 155 HD1 TRP 24 HD1 TRP 24 -7.993 2.614 9.188 156 HE1 TRP 24 HE1 TRP 24 -10.445 2.286 9.899 157 HE3 TRP 24 HE3 TRP 24 -10.155 2.370 4.561 158 HZ2 TRP 24 HZ2 TRP 24 -12.962 1.966 8.663 159 HZ3 TRP 24 HZ3 TRP 24 -12.590 2.051 4.413 160 HH2 TRP 24 HH2 TRP 24 -13.963 1.853 6.422 161 H ALA 25 H ALA 25 -8.353 3.145 3.473 162 HA ALA 25 HA ALA 25 -6.383 2.774 1.472 163 HB1 ALA 25 3HB ALA 25 -7.886 5.279 1.330 164 HB2 ALA 25 1HB ALA 25 -7.770 3.954 0.171 165 HB3 ALA 25 2HB ALA 25 -8.892 3.844 1.528 166 H SER 26 H SER 26 -7.107 5.656 3.455 167 HA SER 26 HA SER 26 -5.054 7.287 2.730 168 HB2 SER 26 1HB SER 26 -5.146 8.224 5.049 169 HB3 SER 26 2HB SER 26 -6.733 8.028 4.305 170 HG SER 26 HG SER 26 -5.510 6.396 6.269 171 H CYS 27 H CYS 27 -4.903 4.700 5.154 172 HA CYS 27 HA CYS 27 -2.340 5.061 6.096 173 HB2 CYS 27 1HB CYS 27 -4.128 2.704 5.783 174 HB3 CYS 27 2HB CYS 27 -2.433 2.388 6.134 175 HG CYS 27 HG CYS 27 -4.182 4.563 8.080 176 H LEU 28 H LEU 28 -3.388 3.475 3.125 177 HA LEU 28 HA LEU 28 -0.721 2.655 2.411 178 HB2 LEU 28 1HB LEU 28 -2.351 1.222 1.591 179 HB3 LEU 28 2HB LEU 28 -3.403 2.545 1.095 180 HG LEU 28 HG LEU 28 -1.843 3.044 -0.758 181 HD11 LEU 28 1HD1 LEU 28 0.001 1.656 0.650 182 HD12 LEU 28 2HD1 LEU 28 0.120 2.000 -1.075 183 HD13 LEU 28 3HD1 LEU 28 -0.497 0.442 -0.528 184 HD21 LEU 28 3HD2 LEU 28 -3.812 1.580 -1.057 185 HD22 LEU 28 1HD2 LEU 28 -2.791 0.181 -0.724 186 HD23 LEU 28 2HD2 LEU 28 -2.484 1.177 -2.147 187 H LEU 29 H LEU 29 -3.029 5.100 1.259 188 HA LEU 29 HA LEU 29 -1.577 6.192 -0.811 189 HB2 LEU 29 1HB LEU 29 -3.733 7.005 -0.578 190 HB3 LEU 29 2HB LEU 29 -3.527 7.339 1.141 191 HG LEU 29 HG LEU 29 -1.955 9.208 0.436 192 HD11 LEU 29 1HD1 LEU 29 -2.079 10.038 -1.786 193 HD12 LEU 29 2HD1 LEU 29 -3.327 8.872 -2.221 194 HD13 LEU 29 3HD1 LEU 29 -1.684 8.322 -1.895 195 HD21 LEU 29 3HD2 LEU 29 -4.091 10.534 -0.476 196 HD22 LEU 29 1HD2 LEU 29 -3.886 10.092 1.219 197 HD23 LEU 29 2HD2 LEU 29 -4.898 9.103 0.167 198 H LYS 30 H LYS 30 -1.196 6.686 2.644 199 HA LYS 30 HA LYS 30 0.614 8.869 2.460 200 HB2 LYS 30 1HB LYS 30 -0.743 8.172 4.492 201 HB3 LYS 30 2HB LYS 30 0.436 6.890 4.730 202 HG2 LYS 30 1HG LYS 30 2.168 8.422 5.167 203 HG3 LYS 30 2HG LYS 30 1.221 9.782 4.559 204 HD2 LYS 30 1HD LYS 30 0.949 10.091 6.809 205 HD3 LYS 30 2HD LYS 30 -0.429 9.037 6.483 206 HE2 LYS 30 1HE LYS 30 0.959 7.095 7.137 207 HE3 LYS 30 2HE LYS 30 2.265 8.203 7.554 208 HZ1 LYS 30 3HZ LYS 30 1.311 8.044 9.576 209 HZ2 LYS 30 1HZ LYS 30 -0.216 7.642 8.968 210 HZ3 LYS 30 2HZ LYS 30 0.295 9.254 8.972 211 H HIS 31 H HIS 31 1.031 5.367 2.750 212 HA HIS 31 HA HIS 31 3.842 5.392 3.004 213 HB2 HIS 31 1HB HIS 31 2.946 3.359 3.628 214 HB3 HIS 31 2HB HIS 31 1.793 3.337 2.297 215 HD1 HIS 31 HD1 HIS 31 5.520 2.891 2.873 216 HD2 HIS 31 HD2 HIS 31 2.539 1.775 0.202 217 HE1 HIS 31 HE1 HIS 31 6.609 1.269 1.289 218 H GLN 32 H GLN 32 1.704 5.554 0.254 219 HA GLN 32 HA GLN 32 3.417 4.802 -1.799 220 HB2 GLN 32 1HB GLN 32 1.110 6.718 -1.660 221 HB3 GLN 32 2HB GLN 32 2.023 6.528 -3.152 222 HG2 GLN 32 1HG GLN 32 1.559 4.039 -2.934 223 HG3 GLN 32 2HG GLN 32 0.381 4.483 -1.699 224 HE21 GLN 32 1HE2 GLN 32 -1.593 4.493 -2.470 225 HE22 GLN 32 2HE2 GLN 32 -2.077 5.019 -4.043 226 H ARG 33 H ARG 33 3.665 7.439 0.306 227 HA ARG 33 HA ARG 33 4.872 9.371 -1.347 228 HB2 ARG 33 1HB ARG 33 4.851 8.838 1.597 229 HB3 ARG 33 2HB ARG 33 5.967 10.032 0.949 230 HG2 ARG 33 1HG ARG 33 3.947 11.102 -0.155 231 HG3 ARG 33 2HG ARG 33 2.969 10.055 0.875 232 HD2 ARG 33 1HD ARG 33 3.153 12.100 2.034 233 HD3 ARG 33 2HD ARG 33 4.272 10.996 2.832 234 HE ARG 33 HE ARG 33 5.612 12.459 0.820 235 HH11 ARG 33 1HH1 ARG 33 4.245 12.811 4.003 236 HH12 ARG 33 2HH1 ARG 33 5.314 14.094 4.462 237 HH21 ARG 33 1HH2 ARG 33 7.025 14.149 1.414 238 HH22 ARG 33 2HH2 ARG 33 6.894 14.855 2.989 239 H VAL 34 H VAL 34 6.102 6.498 0.192 240 HA VAL 34 HA VAL 34 8.867 7.131 -0.027 241 HB VAL 34 HB VAL 34 9.272 4.759 0.400 242 HG11 VAL 34 1HG1 VAL 34 7.255 6.219 2.054 243 HG12 VAL 34 2HG1 VAL 34 7.765 4.593 2.511 244 HG13 VAL 34 3HG1 VAL 34 8.954 5.890 2.392 245 HG21 VAL 34 3HG2 VAL 34 6.714 4.450 -0.787 246 HG22 VAL 34 1HG2 VAL 34 7.842 3.198 -0.265 247 HG23 VAL 34 2HG2 VAL 34 6.629 3.817 0.857 248 H HIS 35 H HIS 35 6.503 5.765 -2.188 249 HA HIS 35 HA HIS 35 8.548 4.962 -4.108 250 HB2 HIS 35 1HB HIS 35 5.536 4.746 -4.293 251 HB3 HIS 35 2HB HIS 35 6.699 4.018 -5.398 252 HD1 HIS 35 HD1 HIS 35 8.542 2.437 -3.858 253 HD2 HIS 35 HD2 HIS 35 4.616 2.890 -2.578 254 HE1 HIS 35 HE1 HIS 35 8.113 0.504 -2.308 255 H SER 36 H SER 36 7.917 7.806 -3.365 256 HA SER 36 HA SER 36 7.196 8.787 -6.049 257 HB2 SER 36 1HB SER 36 6.859 10.098 -3.344 258 HB3 SER 36 2HB SER 36 6.603 10.932 -4.876 259 HG SER 36 HG SER 36 4.789 9.865 -5.171 260 H GLY 37 H GLY 37 9.320 9.333 -3.260 261 HA2 GLY 37 1HA GLY 37 11.224 10.637 -5.106 262 HA3 GLY 37 2HA GLY 37 10.962 11.222 -3.469 263 H GLU 38 H GLU 38 13.013 9.488 -5.345 264 HA GLU 38 HA GLU 38 13.698 7.279 -3.744 265 HB2 GLU 38 1HB GLU 38 15.115 8.857 -5.858 266 HB3 GLU 38 2HB GLU 38 16.008 7.662 -4.928 267 HG2 GLU 38 1HG GLU 38 14.587 5.904 -5.680 268 HG3 GLU 38 2HG GLU 38 13.477 7.050 -6.429 269 H LYS 39 H LYS 39 15.302 6.979 -2.201 270 HA LYS 39 HA LYS 39 16.228 9.449 -0.890 271 HB2 LYS 39 1HB LYS 39 15.470 6.753 0.210 272 HB3 LYS 39 2HB LYS 39 16.467 7.869 1.134 273 HG2 LYS 39 1HG LYS 39 14.597 9.570 0.747 274 HG3 LYS 39 2HG LYS 39 13.618 8.184 0.260 275 HD2 LYS 39 1HD LYS 39 13.169 8.492 2.552 276 HD3 LYS 39 2HD LYS 39 14.288 7.129 2.476 277 HE2 LYS 39 1HE LYS 39 16.149 8.668 2.972 278 HE3 LYS 39 2HE LYS 39 14.994 9.994 3.108 279 HZ1 LYS 39 3HZ LYS 39 15.206 9.371 5.280 280 HZ2 LYS 39 1HZ LYS 39 15.455 7.736 4.923 281 HZ3 LYS 39 2HZ LYS 39 13.899 8.394 4.834 282 HA PRO 40 HA PRO 40 20.390 8.302 -1.743 283 HB2 PRO 40 1HB PRO 40 21.636 9.654 0.255 284 HB3 PRO 40 2HB PRO 40 20.946 10.455 -1.162 285 HG2 PRO 40 1HG PRO 40 19.799 10.148 1.586 286 HG3 PRO 40 2HG PRO 40 19.807 11.572 0.530 287 HD2 PRO 40 1HD PRO 40 17.641 9.970 0.798 288 HD3 PRO 40 2HD PRO 40 18.023 10.814 -0.716 289 H SER 41 H SER 41 20.228 6.057 -1.259 290 HA SER 41 HA SER 41 21.437 5.354 1.324 291 HB2 SER 41 1HB SER 41 18.949 4.201 0.094 292 HB3 SER 41 2HB SER 41 19.953 3.221 1.163 293 HG SER 41 HG SER 41 19.732 5.289 2.547 294 H GLY 42 H GLY 42 23.434 5.087 0.302 295 HA2 GLY 42 1HA GLY 42 24.295 2.649 -0.428 296 HA3 GLY 42 2HA GLY 42 23.666 3.271 -1.947 297 HA PRO 43 HA PRO 43 27.585 5.097 -2.704 298 HB2 PRO 43 1HB PRO 43 26.851 7.064 -4.425 299 HB3 PRO 43 2HB PRO 43 26.887 5.356 -4.877 300 HG2 PRO 43 1HG PRO 43 24.557 7.052 -4.065 301 HG3 PRO 43 2HG PRO 43 24.671 5.860 -5.373 302 HD2 PRO 43 1HD PRO 43 23.502 5.305 -2.995 303 HD3 PRO 43 2HD PRO 43 24.362 4.077 -3.946 304 H SER 44 H SER 44 25.097 6.673 -1.054 305 HA SER 44 HA SER 44 25.965 9.304 -0.847 306 HB2 SER 44 1HB SER 44 24.717 7.680 1.381 307 HB3 SER 44 2HB SER 44 24.672 9.433 1.194 308 HG SER 44 HG SER 44 23.098 7.524 0.057 309 H SER 45 H SER 45 26.687 6.613 1.381 310 HA SER 45 HA SER 45 28.863 8.174 2.543 311 HB2 SER 45 1HB SER 45 27.328 7.011 4.072 312 HB3 SER 45 2HB SER 45 27.753 5.468 3.332 313 HG SER 45 HG SER 45 29.841 7.044 4.287 314 H GLY 46 H GLY 46 30.150 8.066 0.570 315 HA2 GLY 46 1HA GLY 46 31.624 7.042 -0.914 316 HA3 GLY 46 2HA GLY 46 32.347 6.551 0.610 Start of MODEL 2 1 H1 GLY 1 1H GLY 1 7.220 -29.927 8.584 2 HA2 GLY 1 1HA GLY 1 6.685 -27.592 9.943 3 HA3 GLY 1 2HA GLY 1 6.184 -27.897 8.287 4 H SER 2 H SER 2 5.177 -27.508 11.523 5 HA SER 2 HA SER 2 2.426 -28.278 10.806 6 HB2 SER 2 1HB SER 2 2.004 -28.528 13.211 7 HB3 SER 2 2HB SER 2 3.356 -29.542 12.707 8 HG SER 2 HG SER 2 3.327 -27.679 14.587 9 H SER 3 H SER 3 1.763 -26.363 9.879 10 HA SER 3 HA SER 3 1.604 -24.063 11.713 11 HB2 SER 3 1HB SER 3 2.220 -24.108 8.763 12 HB3 SER 3 2HB SER 3 1.608 -22.659 9.561 13 HG SER 3 HG SER 3 4.083 -23.913 9.787 14 H GLY 4 H GLY 4 -0.343 -23.058 11.896 15 HA2 GLY 4 1HA GLY 4 -2.544 -24.170 10.266 16 HA3 GLY 4 2HA GLY 4 -2.716 -23.754 11.965 17 H SER 5 H SER 5 -3.374 -22.743 8.906 18 HA SER 5 HA SER 5 -3.133 -19.889 9.488 19 HB2 SER 5 1HB SER 5 -3.724 -19.543 7.144 20 HB3 SER 5 2HB SER 5 -2.413 -20.716 7.266 21 HG SER 5 HG SER 5 -4.735 -21.028 6.072 22 H SER 6 H SER 6 -4.728 -19.362 10.900 23 HA SER 6 HA SER 6 -7.492 -19.843 9.999 24 HB2 SER 6 1HB SER 6 -6.942 -21.210 11.992 25 HB3 SER 6 2HB SER 6 -6.533 -19.737 12.870 26 HG SER 6 HG SER 6 -8.634 -19.134 12.859 27 H GLY 7 H GLY 7 -7.819 -17.871 9.044 28 HA2 GLY 7 1HA GLY 7 -8.724 -15.717 9.220 29 HA3 GLY 7 2HA GLY 7 -8.142 -15.632 10.876 30 H THR 8 H THR 8 -6.401 -16.323 7.858 31 HA THR 8 HA THR 8 -4.042 -15.158 8.301 32 HB THR 8 HB THR 8 -3.939 -14.481 5.893 33 HG1 THR 8 HG1 THR 8 -6.671 -15.289 5.979 34 HG21 THR 8 3HG2 THR 8 -5.218 -17.150 5.847 35 HG22 THR 8 1HG2 THR 8 -3.857 -16.946 6.949 36 HG23 THR 8 2HG2 THR 8 -3.651 -16.634 5.225 37 H GLY 9 H GLY 9 -6.926 -13.350 7.257 38 HA2 GLY 9 1HA GLY 9 -7.494 -11.188 8.003 39 HA3 GLY 9 2HA GLY 9 -5.843 -10.973 8.565 40 H GLU 10 H GLU 10 -7.268 -11.800 5.404 41 HA GLU 10 HA GLU 10 -5.377 -10.404 3.893 42 HB2 GLU 10 1HB GLU 10 -7.090 -12.154 3.126 43 HB3 GLU 10 2HB GLU 10 -8.228 -10.818 3.016 44 HG2 GLU 10 1HG GLU 10 -6.277 -9.752 1.585 45 HG3 GLU 10 2HG GLU 10 -5.869 -11.449 1.336 46 H LYS 11 H LYS 11 -5.307 -8.371 3.009 47 HA LYS 11 HA LYS 11 -7.224 -6.430 4.122 48 HB2 LYS 11 1HB LYS 11 -4.301 -6.202 3.443 49 HB3 LYS 11 2HB LYS 11 -5.316 -4.775 3.601 50 HG2 LYS 11 1HG LYS 11 -5.565 -5.028 5.861 51 HG3 LYS 11 2HG LYS 11 -5.317 -6.774 5.804 52 HD2 LYS 11 1HD LYS 11 -2.978 -6.531 5.561 53 HD3 LYS 11 2HD LYS 11 -3.120 -4.809 5.199 54 HE2 LYS 11 1HE LYS 11 -2.400 -4.826 7.407 55 HE3 LYS 11 2HE LYS 11 -4.145 -4.629 7.560 56 HZ1 LYS 11 3HZ LYS 11 -3.840 -7.312 7.567 57 HZ2 LYS 11 1HZ LYS 11 -4.002 -6.350 8.949 58 HZ3 LYS 11 2HZ LYS 11 -2.464 -6.803 8.409 59 HA PRO 12 HA PRO 12 -8.584 -5.478 0.047 60 HB2 PRO 12 1HB PRO 12 -9.467 -2.944 0.453 61 HB3 PRO 12 2HB PRO 12 -10.329 -4.368 1.047 62 HG2 PRO 12 1HG PRO 12 -8.486 -2.521 2.514 63 HG3 PRO 12 2HG PRO 12 -10.031 -3.213 3.043 64 HD2 PRO 12 1HD PRO 12 -7.640 -4.213 3.830 65 HD3 PRO 12 2HD PRO 12 -9.076 -5.234 3.607 66 H TYR 13 H TYR 13 -6.382 -3.279 1.696 67 HA TYR 13 HA TYR 13 -5.517 -2.189 -0.887 68 HB2 TYR 13 1HB TYR 13 -4.760 -1.230 1.877 69 HB3 TYR 13 2HB TYR 13 -4.487 -0.396 0.351 70 HD1 TYR 13 HD2 TYR 13 -6.337 0.696 -0.819 71 HD2 TYR 13 HD1 TYR 13 -6.931 -1.214 2.936 72 HE1 TYR 13 HE2 TYR 13 -8.491 1.857 -0.576 73 HE2 TYR 13 HE1 TYR 13 -9.088 -0.059 3.189 74 HH TYR 13 HH TYR 13 -10.596 1.259 2.217 75 H ASN 14 H ASN 14 -3.661 -2.808 -1.776 76 HA ASN 14 HA ASN 14 -1.485 -3.789 -0.104 77 HB2 ASN 14 1HB ASN 14 -1.302 -5.687 -1.974 78 HB3 ASN 14 2HB ASN 14 -2.239 -5.914 -0.501 79 HD21 ASN 14 1HD2 ASN 14 -2.543 -4.739 -3.825 80 HD22 ASN 14 2HD2 ASN 14 -4.154 -5.317 -4.066 81 H CYS 15 H CYS 15 0.175 -2.569 -0.696 82 HA CYS 15 HA CYS 15 0.351 -1.188 -3.150 83 HB2 CYS 15 1HB CYS 15 1.474 -0.506 -1.020 84 HB3 CYS 15 2HB CYS 15 2.611 -1.831 -1.247 85 H LYS 16 H LYS 16 1.259 -1.689 -5.059 86 HA LYS 16 HA LYS 16 2.222 -4.419 -5.416 87 HB2 LYS 16 1HB LYS 16 1.147 -2.296 -7.213 88 HB3 LYS 16 2HB LYS 16 2.225 -3.499 -7.909 89 HG2 LYS 16 1HG LYS 16 0.689 -5.245 -6.891 90 HG3 LYS 16 2HG LYS 16 -0.445 -3.923 -6.605 91 HD2 LYS 16 1HD LYS 16 -0.425 -3.403 -9.004 92 HD3 LYS 16 2HD LYS 16 0.690 -4.743 -9.280 93 HE2 LYS 16 1HE LYS 16 -2.057 -5.035 -8.071 94 HE3 LYS 16 2HE LYS 16 -1.696 -5.272 -9.780 95 HZ1 LYS 16 3HZ LYS 16 -1.713 -7.376 -8.644 96 HZ2 LYS 16 1HZ LYS 16 -0.575 -6.833 -7.516 97 HZ3 LYS 16 2HZ LYS 16 -0.133 -7.029 -9.137 98 H GLU 17 H GLU 17 3.362 -1.132 -5.463 99 HA GLU 17 HA GLU 17 5.695 -1.353 -6.937 100 HB2 GLU 17 1HB GLU 17 4.951 0.326 -4.560 101 HB3 GLU 17 2HB GLU 17 6.562 0.422 -5.255 102 HG2 GLU 17 1HG GLU 17 5.102 2.169 -6.116 103 HG3 GLU 17 2HG GLU 17 5.631 1.076 -7.394 104 H CYS 18 H CYS 18 5.519 -1.546 -3.377 105 HA CYS 18 HA CYS 18 8.026 -3.052 -3.380 106 HB2 CYS 18 1HB CYS 18 8.058 -2.625 -0.963 107 HB3 CYS 18 2HB CYS 18 7.871 -1.127 -1.869 108 H GLY 19 H GLY 19 4.684 -3.298 -2.219 109 HA2 GLY 19 1HA GLY 19 3.597 -5.481 -2.486 110 HA3 GLY 19 2HA GLY 19 5.107 -6.211 -1.961 111 H LYS 20 H LYS 20 3.463 -3.414 -0.558 112 HA LYS 20 HA LYS 20 3.404 -4.827 2.007 113 HB2 LYS 20 1HB LYS 20 3.441 -1.955 1.194 114 HB3 LYS 20 2HB LYS 20 2.706 -2.378 2.735 115 HG2 LYS 20 1HG LYS 20 4.855 -3.578 3.290 116 HG3 LYS 20 2HG LYS 20 5.547 -2.810 1.859 117 HD2 LYS 20 1HD LYS 20 5.251 -0.644 2.763 118 HD3 LYS 20 2HD LYS 20 4.201 -1.244 4.049 119 HE2 LYS 20 1HE LYS 20 7.001 -2.259 3.848 120 HE3 LYS 20 2HE LYS 20 6.711 -0.660 4.531 121 HZ1 LYS 20 3HZ LYS 20 5.206 -3.003 5.503 122 HZ2 LYS 20 1HZ LYS 20 5.516 -1.537 6.290 123 HZ3 LYS 20 2HZ LYS 20 6.756 -2.670 6.095 124 H SER 21 H SER 21 1.464 -3.910 3.433 125 HA SER 21 HA SER 21 -1.010 -3.942 1.860 126 HB2 SER 21 1HB SER 21 -0.641 -5.663 4.318 127 HB3 SER 21 2HB SER 21 -2.014 -5.650 3.210 128 HG SER 21 HG SER 21 -0.120 -6.177 1.631 129 H PHE 22 H PHE 22 -2.900 -3.233 3.090 130 HA PHE 22 HA PHE 22 -2.449 -1.898 5.614 131 HB2 PHE 22 1HB PHE 22 -3.243 -0.279 3.186 132 HB3 PHE 22 2HB PHE 22 -3.094 0.322 4.834 133 HD1 PHE 22 HD2 PHE 22 -1.246 -0.902 1.904 134 HD2 PHE 22 HD1 PHE 22 -0.968 0.847 5.774 135 HE1 PHE 22 HE2 PHE 22 1.119 -0.369 1.489 136 HE2 PHE 22 HE1 PHE 22 1.398 1.384 5.366 137 HZ PHE 22 HZ PHE 22 2.445 0.775 3.221 138 H ARG 23 H ARG 23 -4.386 -1.246 6.652 139 HA ARG 23 HA ARG 23 -6.653 -2.852 5.927 140 HB2 ARG 23 1HB ARG 23 -6.192 -0.866 8.155 141 HB3 ARG 23 2HB ARG 23 -7.685 -1.775 7.960 142 HG2 ARG 23 1HG ARG 23 -6.622 -3.126 9.438 143 HG3 ARG 23 2HG ARG 23 -6.009 -3.820 7.936 144 HD2 ARG 23 1HD ARG 23 -4.011 -2.372 8.135 145 HD3 ARG 23 2HD ARG 23 -4.617 -1.798 9.688 146 HE ARG 23 HE ARG 23 -4.336 -4.664 9.485 147 HH11 ARG 23 1HH1 ARG 23 -2.811 -1.655 10.348 148 HH12 ARG 23 2HH1 ARG 23 -1.652 -2.395 11.401 149 HH21 ARG 23 1HH2 ARG 23 -2.814 -5.649 10.869 150 HH22 ARG 23 2HH2 ARG 23 -1.653 -4.666 11.697 151 H TRP 24 H TRP 24 -6.095 0.649 6.280 152 HA TRP 24 HA TRP 24 -8.532 1.126 4.705 153 HB2 TRP 24 1HB TRP 24 -7.048 2.770 6.733 154 HB3 TRP 24 2HB TRP 24 -8.117 3.547 5.568 155 HD1 TRP 24 HD1 TRP 24 -8.208 2.297 8.950 156 HE1 TRP 24 HE1 TRP 24 -10.608 1.762 9.711 157 HE3 TRP 24 HE3 TRP 24 -10.521 2.285 4.391 158 HZ2 TRP 24 HZ2 TRP 24 -13.146 1.383 8.534 159 HZ3 TRP 24 HZ3 TRP 24 -12.937 1.827 4.296 160 HH2 TRP 24 HH2 TRP 24 -14.220 1.385 6.325 161 H ALA 25 H ALA 25 -8.379 3.213 3.354 162 HA ALA 25 HA ALA 25 -6.323 2.829 1.419 163 HB1 ALA 25 3HB ALA 25 -8.040 5.273 1.474 164 HB2 ALA 25 1HB ALA 25 -7.468 4.334 0.096 165 HB3 ALA 25 2HB ALA 25 -8.756 3.701 1.121 166 H SER 26 H SER 26 -7.128 5.636 3.475 167 HA SER 26 HA SER 26 -5.121 7.346 2.915 168 HB2 SER 26 1HB SER 26 -5.161 8.016 5.350 169 HB3 SER 26 2HB SER 26 -6.745 7.937 4.579 170 HG SER 26 HG SER 26 -5.576 6.147 6.417 171 H CYS 27 H CYS 27 -4.842 4.634 5.202 172 HA CYS 27 HA CYS 27 -2.232 4.987 6.016 173 HB2 CYS 27 1HB CYS 27 -3.963 2.569 5.672 174 HB3 CYS 27 2HB CYS 27 -2.266 2.357 6.086 175 HG CYS 27 HG CYS 27 -4.453 4.229 7.936 176 H LEU 28 H LEU 28 -3.402 3.217 3.167 177 HA LEU 28 HA LEU 28 -0.836 2.433 2.260 178 HB2 LEU 28 1HB LEU 28 -2.580 1.170 1.402 179 HB3 LEU 28 2HB LEU 28 -3.554 2.590 1.027 180 HG LEU 28 HG LEU 28 -2.020 3.103 -0.844 181 HD11 LEU 28 1HD1 LEU 28 0.025 2.144 -0.226 182 HD12 LEU 28 2HD1 LEU 28 -0.546 1.155 -1.569 183 HD13 LEU 28 3HD1 LEU 28 -0.706 0.570 0.087 184 HD21 LEU 28 3HD2 LEU 28 -4.073 1.339 -0.777 185 HD22 LEU 28 1HD2 LEU 28 -2.783 0.326 -1.427 186 HD23 LEU 28 2HD2 LEU 28 -3.225 1.824 -2.246 187 H LEU 29 H LEU 29 -2.949 5.159 1.449 188 HA LEU 29 HA LEU 29 -1.455 6.252 -0.630 189 HB2 LEU 29 1HB LEU 29 -3.583 7.145 -0.317 190 HB3 LEU 29 2HB LEU 29 -3.315 7.423 1.402 191 HG LEU 29 HG LEU 29 -1.606 9.191 0.629 192 HD11 LEU 29 1HD1 LEU 29 -1.282 9.069 -1.602 193 HD12 LEU 29 2HD1 LEU 29 -2.688 10.133 -1.634 194 HD13 LEU 29 3HD1 LEU 29 -2.886 8.403 -1.911 195 HD21 LEU 29 3HD2 LEU 29 -3.285 10.326 1.569 196 HD22 LEU 29 1HD2 LEU 29 -4.510 9.267 0.870 197 HD23 LEU 29 2HD2 LEU 29 -3.855 10.603 -0.077 198 H LYS 30 H LYS 30 -1.310 6.998 2.848 199 HA LYS 30 HA LYS 30 0.707 8.910 2.759 200 HB2 LYS 30 1HB LYS 30 -0.251 6.995 4.848 201 HB3 LYS 30 2HB LYS 30 1.218 7.916 5.144 202 HG2 LYS 30 1HG LYS 30 -1.387 9.199 4.370 203 HG3 LYS 30 2HG LYS 30 -0.913 8.905 6.045 204 HD2 LYS 30 1HD LYS 30 1.152 10.228 5.629 205 HD3 LYS 30 2HD LYS 30 0.537 10.608 4.018 206 HE2 LYS 30 1HE LYS 30 -1.441 11.651 5.048 207 HE3 LYS 30 2HE LYS 30 -0.775 11.309 6.644 208 HZ1 LYS 30 3HZ LYS 30 0.368 13.110 4.582 209 HZ2 LYS 30 1HZ LYS 30 1.172 12.678 6.006 210 HZ3 LYS 30 2HZ LYS 30 -0.273 13.553 6.083 211 H HIS 31 H HIS 31 0.896 5.411 2.682 212 HA HIS 31 HA HIS 31 3.728 5.285 3.076 213 HB2 HIS 31 1HB HIS 31 2.746 3.285 3.665 214 HB3 HIS 31 2HB HIS 31 1.580 3.345 2.346 215 HD1 HIS 31 HD1 HIS 31 5.254 2.627 2.934 216 HD2 HIS 31 HD2 HIS 31 2.259 1.866 0.157 217 HE1 HIS 31 HE1 HIS 31 6.254 1.003 1.295 218 H GLN 32 H GLN 32 1.579 5.335 0.285 219 HA GLN 32 HA GLN 32 3.283 4.623 -1.748 220 HB2 GLN 32 1HB GLN 32 1.021 6.588 -1.612 221 HB3 GLN 32 2HB GLN 32 1.939 6.398 -3.100 222 HG2 GLN 32 1HG GLN 32 1.421 3.940 -2.974 223 HG3 GLN 32 2HG GLN 32 0.302 4.328 -1.668 224 HE21 GLN 32 1HE2 GLN 32 -1.702 4.876 -2.187 225 HE22 GLN 32 2HE2 GLN 32 -2.255 5.284 -3.772 226 H ARG 33 H ARG 33 3.403 7.428 0.242 227 HA ARG 33 HA ARG 33 4.669 9.305 -1.321 228 HB2 ARG 33 1HB ARG 33 4.817 8.626 1.588 229 HB3 ARG 33 2HB ARG 33 5.927 9.823 0.934 230 HG2 ARG 33 1HG ARG 33 3.965 11.082 0.070 231 HG3 ARG 33 2HG ARG 33 2.921 9.929 0.904 232 HD2 ARG 33 1HD ARG 33 3.061 11.601 2.472 233 HD3 ARG 33 2HD ARG 33 4.392 10.560 2.975 234 HE ARG 33 HE ARG 33 5.187 12.609 1.131 235 HH11 ARG 33 1HH1 ARG 33 4.589 11.861 4.479 236 HH12 ARG 33 2HH1 ARG 33 5.634 13.107 5.079 237 HH21 ARG 33 1HH2 ARG 33 6.565 14.252 1.909 238 HH22 ARG 33 2HH2 ARG 33 6.756 14.467 3.616 239 H VAL 34 H VAL 34 6.171 6.646 0.500 240 HA VAL 34 HA VAL 34 8.830 7.150 0.004 241 HB VAL 34 HB VAL 34 9.289 4.863 0.426 242 HG11 VAL 34 1HG1 VAL 34 8.420 4.737 2.506 243 HG12 VAL 34 2HG1 VAL 34 7.814 6.348 2.119 244 HG13 VAL 34 3HG1 VAL 34 6.762 4.943 1.943 245 HG21 VAL 34 3HG2 VAL 34 7.667 3.080 0.222 246 HG22 VAL 34 1HG2 VAL 34 6.415 4.233 -0.240 247 HG23 VAL 34 2HG2 VAL 34 7.788 3.945 -1.310 248 H HIS 35 H HIS 35 6.422 5.788 -2.149 249 HA HIS 35 HA HIS 35 8.377 5.114 -4.176 250 HB2 HIS 35 1HB HIS 35 5.353 5.044 -4.205 251 HB3 HIS 35 2HB HIS 35 6.377 4.483 -5.524 252 HD1 HIS 35 HD1 HIS 35 8.358 2.698 -4.340 253 HD2 HIS 35 HD2 HIS 35 4.491 2.896 -2.834 254 HE1 HIS 35 HE1 HIS 35 8.004 0.534 -3.109 255 H SER 36 H SER 36 8.011 7.923 -3.252 256 HA SER 36 HA SER 36 6.700 9.419 -5.261 257 HB2 SER 36 1HB SER 36 8.031 11.338 -4.354 258 HB3 SER 36 2HB SER 36 7.158 10.434 -3.117 259 HG SER 36 HG SER 36 9.846 10.784 -3.455 260 H GLY 37 H GLY 37 10.157 8.716 -4.740 261 HA2 GLY 37 1HA GLY 37 11.936 8.721 -6.189 262 HA3 GLY 37 2HA GLY 37 10.768 8.286 -7.428 263 H GLU 38 H GLU 38 11.248 9.545 -9.119 264 HA GLU 38 HA GLU 38 12.210 12.219 -8.851 265 HB2 GLU 38 1HB GLU 38 12.155 12.296 -11.265 266 HB3 GLU 38 2HB GLU 38 12.798 10.742 -10.753 267 HG2 GLU 38 1HG GLU 38 10.586 9.731 -11.137 268 HG3 GLU 38 2HG GLU 38 10.004 11.286 -11.727 269 H LYS 39 H LYS 39 11.152 14.103 -9.852 270 HA LYS 39 HA LYS 39 8.420 14.302 -8.937 271 HB2 LYS 39 1HB LYS 39 10.363 16.287 -10.110 272 HB3 LYS 39 2HB LYS 39 8.694 16.706 -9.744 273 HG2 LYS 39 1HG LYS 39 9.919 17.419 -7.887 274 HG3 LYS 39 2HG LYS 39 9.177 15.899 -7.380 275 HD2 LYS 39 1HD LYS 39 11.266 14.719 -7.844 276 HD3 LYS 39 2HD LYS 39 12.008 16.230 -8.375 277 HE2 LYS 39 1HE LYS 39 10.842 15.872 -5.626 278 HE3 LYS 39 2HE LYS 39 12.518 15.475 -6.004 279 HZ1 LYS 39 3HZ LYS 39 11.240 18.072 -5.748 280 HZ2 LYS 39 1HZ LYS 39 12.366 17.929 -7.002 281 HZ3 LYS 39 2HZ LYS 39 12.831 17.609 -5.408 282 HA PRO 40 HA PRO 40 6.432 13.603 -12.799 283 HB2 PRO 40 1HB PRO 40 4.137 14.990 -12.374 284 HB3 PRO 40 2HB PRO 40 4.480 13.440 -11.598 285 HG2 PRO 40 1HG PRO 40 4.768 16.211 -10.502 286 HG3 PRO 40 2HG PRO 40 4.113 14.761 -9.720 287 HD2 PRO 40 1HD PRO 40 6.626 15.657 -9.257 288 HD3 PRO 40 2HD PRO 40 6.205 13.933 -9.220 289 H SER 41 H SER 41 7.219 16.768 -11.670 290 HA SER 41 HA SER 41 7.317 18.823 -12.686 291 HB2 SER 41 1HB SER 41 9.210 17.355 -13.666 292 HB3 SER 41 2HB SER 41 8.225 17.315 -15.128 293 HG SER 41 HG SER 41 9.556 19.465 -13.928 294 H GLY 42 H GLY 42 4.725 17.754 -12.835 295 HA2 GLY 42 1HA GLY 42 3.797 18.203 -15.564 296 HA3 GLY 42 2HA GLY 42 2.822 17.652 -14.209 297 HA PRO 43 HA PRO 43 2.650 22.407 -14.996 298 HB2 PRO 43 1HB PRO 43 0.678 22.578 -16.854 299 HB3 PRO 43 2HB PRO 43 2.393 22.491 -17.277 300 HG2 PRO 43 1HG PRO 43 0.334 20.318 -17.257 301 HG3 PRO 43 2HG PRO 43 1.589 20.659 -18.463 302 HD2 PRO 43 1HD PRO 43 1.854 18.717 -16.594 303 HD3 PRO 43 2HD PRO 43 3.238 19.635 -17.219 304 H SER 44 H SER 44 0.978 23.738 -14.184 305 HA SER 44 HA SER 44 -1.265 22.255 -12.976 306 HB2 SER 44 1HB SER 44 0.447 24.481 -11.910 307 HB3 SER 44 2HB SER 44 -1.188 24.245 -11.294 308 HG SER 44 HG SER 44 -0.616 22.187 -10.634 309 H SER 45 H SER 45 -3.114 22.704 -13.959 310 HA SER 45 HA SER 45 -3.512 25.397 -15.074 311 HB2 SER 45 1HB SER 45 -4.463 22.684 -15.881 312 HB3 SER 45 2HB SER 45 -5.497 24.069 -16.233 313 HG SER 45 HG SER 45 -3.966 24.899 -17.541 314 H GLY 46 H GLY 46 -4.560 26.655 -13.670 315 HA2 GLY 46 1HA GLY 46 -6.186 27.415 -12.239 316 HA3 GLY 46 2HA GLY 46 -7.227 26.185 -12.941 Start of MODEL 3 1 H1 GLY 1 1H GLY 1 6.657 -25.959 12.278 2 HA2 GLY 1 1HA GLY 1 7.617 -28.377 10.882 3 HA3 GLY 1 2HA GLY 1 7.033 -28.348 12.540 4 H SER 2 H SER 2 4.684 -27.217 12.551 5 HA SER 2 HA SER 2 3.005 -27.906 10.343 6 HB2 SER 2 1HB SER 2 1.681 -29.642 11.553 7 HB3 SER 2 2HB SER 2 3.322 -30.163 11.172 8 HG SER 2 HG SER 2 3.659 -29.173 13.460 9 H SER 3 H SER 3 1.369 -26.519 10.368 10 HA SER 3 HA SER 3 0.206 -25.685 12.917 11 HB2 SER 3 1HB SER 3 1.479 -23.856 10.894 12 HB3 SER 3 2HB SER 3 0.191 -23.281 11.954 13 HG SER 3 HG SER 3 2.789 -24.129 12.598 14 H GLY 4 H GLY 4 -1.835 -24.421 12.579 15 HA2 GLY 4 1HA GLY 4 -3.261 -25.525 10.246 16 HA3 GLY 4 2HA GLY 4 -4.009 -25.123 11.785 17 H SER 5 H SER 5 -3.860 -22.754 12.395 18 HA SER 5 HA SER 5 -4.923 -21.221 10.211 19 HB2 SER 5 1HB SER 5 -5.686 -21.146 12.662 20 HB3 SER 5 2HB SER 5 -4.264 -20.143 12.949 21 HG SER 5 HG SER 5 -5.957 -19.458 10.835 22 H SER 6 H SER 6 -3.602 -20.366 8.748 23 HA SER 6 HA SER 6 -1.186 -18.976 9.704 24 HB2 SER 6 1HB SER 6 -0.868 -21.192 8.379 25 HB3 SER 6 2HB SER 6 -1.324 -20.228 6.974 26 HG SER 6 HG SER 6 0.410 -18.739 7.997 27 H GLY 7 H GLY 7 -2.436 -17.036 9.769 28 HA2 GLY 7 1HA GLY 7 -2.277 -15.000 8.350 29 HA3 GLY 7 2HA GLY 7 -3.039 -15.954 7.085 30 H THR 8 H THR 8 -3.522 -14.266 10.101 31 HA THR 8 HA THR 8 -6.033 -14.833 10.887 32 HB THR 8 HB THR 8 -5.041 -12.001 10.512 33 HG1 THR 8 HG1 THR 8 -4.054 -12.259 12.484 34 HG21 THR 8 3HG2 THR 8 -7.506 -12.950 11.421 35 HG22 THR 8 1HG2 THR 8 -6.858 -11.323 11.616 36 HG23 THR 8 2HG2 THR 8 -6.608 -12.529 12.879 37 H GLY 9 H GLY 9 -5.223 -12.720 8.143 38 HA2 GLY 9 1HA GLY 9 -7.579 -13.485 6.723 39 HA3 GLY 9 2HA GLY 9 -7.742 -11.876 7.410 40 H GLU 10 H GLU 10 -7.813 -10.842 5.421 41 HA GLU 10 HA GLU 10 -5.211 -10.458 4.181 42 HB2 GLU 10 1HB GLU 10 -6.180 -12.279 2.869 43 HB3 GLU 10 2HB GLU 10 -7.636 -11.330 2.600 44 HG2 GLU 10 1HG GLU 10 -6.362 -9.698 1.332 45 HG3 GLU 10 2HG GLU 10 -4.880 -10.603 1.634 46 H LYS 11 H LYS 11 -4.921 -8.340 4.141 47 HA LYS 11 HA LYS 11 -6.988 -6.456 4.507 48 HB2 LYS 11 1HB LYS 11 -4.148 -6.101 3.535 49 HB3 LYS 11 2HB LYS 11 -5.224 -4.772 3.950 50 HG2 LYS 11 1HG LYS 11 -5.389 -5.675 6.246 51 HG3 LYS 11 2HG LYS 11 -4.213 -6.917 5.807 52 HD2 LYS 11 1HD LYS 11 -2.493 -5.342 5.527 53 HD3 LYS 11 2HD LYS 11 -3.626 -3.990 5.463 54 HE2 LYS 11 1HE LYS 11 -4.219 -4.856 7.895 55 HE3 LYS 11 2HE LYS 11 -2.577 -5.493 7.805 56 HZ1 LYS 11 3HZ LYS 11 -2.497 -2.875 6.872 57 HZ2 LYS 11 1HZ LYS 11 -1.842 -3.483 8.309 58 HZ3 LYS 11 2HZ LYS 11 -3.411 -2.850 8.296 59 HA PRO 12 HA PRO 12 -8.539 -5.909 0.424 60 HB2 PRO 12 1HB PRO 12 -9.527 -3.392 0.669 61 HB3 PRO 12 2HB PRO 12 -10.300 -4.803 1.402 62 HG2 PRO 12 1HG PRO 12 -8.497 -2.767 2.654 63 HG3 PRO 12 2HG PRO 12 -9.988 -3.485 3.292 64 HD2 PRO 12 1HD PRO 12 -7.527 -4.313 4.061 65 HD3 PRO 12 2HD PRO 12 -8.919 -5.411 3.971 66 H TYR 13 H TYR 13 -6.307 -3.592 1.816 67 HA TYR 13 HA TYR 13 -5.632 -2.597 -0.862 68 HB2 TYR 13 1HB TYR 13 -4.775 -1.497 1.821 69 HB3 TYR 13 2HB TYR 13 -4.535 -0.741 0.250 70 HD1 TYR 13 HD2 TYR 13 -6.381 0.339 -0.907 71 HD2 TYR 13 HD1 TYR 13 -6.952 -1.478 2.897 72 HE1 TYR 13 HE2 TYR 13 -8.532 1.511 -0.677 73 HE2 TYR 13 HE1 TYR 13 -9.105 -0.312 3.138 74 HH TYR 13 HH TYR 13 -10.785 0.953 0.756 75 H ASN 14 H ASN 14 -3.640 -2.872 -1.742 76 HA ASN 14 HA ASN 14 -1.478 -3.980 -0.144 77 HB2 ASN 14 1HB ASN 14 -1.106 -5.828 -1.793 78 HB3 ASN 14 2HB ASN 14 -2.580 -6.004 -0.845 79 HD21 ASN 14 1HD2 ASN 14 -1.230 -5.656 -3.960 80 HD22 ASN 14 2HD2 ASN 14 -2.706 -5.702 -4.856 81 H CYS 15 H CYS 15 0.216 -2.757 -0.609 82 HA CYS 15 HA CYS 15 0.367 -1.157 -2.963 83 HB2 CYS 15 1HB CYS 15 1.347 -0.576 -0.705 84 HB3 CYS 15 2HB CYS 15 2.612 -1.757 -1.032 85 H LYS 16 H LYS 16 0.854 -1.908 -4.907 86 HA LYS 16 HA LYS 16 2.168 -4.412 -5.314 87 HB2 LYS 16 1HB LYS 16 0.412 -3.186 -6.805 88 HB3 LYS 16 2HB LYS 16 1.813 -2.359 -7.473 89 HG2 LYS 16 1HG LYS 16 1.637 -4.097 -8.932 90 HG3 LYS 16 2HG LYS 16 2.725 -4.809 -7.739 91 HD2 LYS 16 1HD LYS 16 0.749 -5.828 -6.628 92 HD3 LYS 16 2HD LYS 16 -0.259 -5.209 -7.937 93 HE2 LYS 16 1HE LYS 16 1.123 -6.492 -9.544 94 HE3 LYS 16 2HE LYS 16 2.019 -7.171 -8.186 95 HZ1 LYS 16 3HZ LYS 16 -0.664 -7.576 -7.640 96 HZ2 LYS 16 1HZ LYS 16 0.483 -8.742 -8.072 97 HZ3 LYS 16 2HZ LYS 16 -0.457 -7.999 -9.265 98 H GLU 17 H GLU 17 3.136 -1.039 -5.432 99 HA GLU 17 HA GLU 17 5.499 -1.087 -6.780 100 HB2 GLU 17 1HB GLU 17 4.633 0.399 -4.327 101 HB3 GLU 17 2HB GLU 17 6.284 0.570 -4.907 102 HG2 GLU 17 1HG GLU 17 4.975 2.358 -5.788 103 HG3 GLU 17 2HG GLU 17 5.392 1.266 -7.107 104 H CYS 18 H CYS 18 5.309 -1.572 -3.248 105 HA CYS 18 HA CYS 18 7.868 -2.992 -3.361 106 HB2 CYS 18 1HB CYS 18 7.834 -2.747 -0.878 107 HB3 CYS 18 2HB CYS 18 7.795 -1.211 -1.737 108 H GLY 19 H GLY 19 4.518 -3.389 -2.314 109 HA2 GLY 19 1HA GLY 19 3.477 -5.561 -2.636 110 HA3 GLY 19 2HA GLY 19 5.009 -6.296 -2.189 111 H LYS 20 H LYS 20 3.265 -3.652 -0.600 112 HA LYS 20 HA LYS 20 3.222 -5.282 1.849 113 HB2 LYS 20 1HB LYS 20 3.333 -2.314 1.378 114 HB3 LYS 20 2HB LYS 20 2.818 -2.968 2.927 115 HG2 LYS 20 1HG LYS 20 4.934 -4.039 3.252 116 HG3 LYS 20 2HG LYS 20 5.453 -3.606 1.621 117 HD2 LYS 20 1HD LYS 20 6.477 -1.940 2.802 118 HD3 LYS 20 2HD LYS 20 4.923 -1.163 2.490 119 HE2 LYS 20 1HE LYS 20 5.502 -0.854 4.804 120 HE3 LYS 20 2HE LYS 20 4.135 -1.962 4.700 121 HZ1 LYS 20 3HZ LYS 20 5.324 -3.629 5.566 122 HZ2 LYS 20 1HZ LYS 20 6.370 -2.419 6.119 123 HZ3 LYS 20 2HZ LYS 20 6.719 -3.249 4.687 124 H SER 21 H SER 21 1.369 -4.370 3.384 125 HA SER 21 HA SER 21 -1.114 -4.280 1.800 126 HB2 SER 21 1HB SER 21 -0.653 -5.774 4.393 127 HB3 SER 21 2HB SER 21 -2.194 -5.652 3.545 128 HG SER 21 HG SER 21 -1.352 -7.526 2.836 129 H PHE 22 H PHE 22 -2.966 -3.337 2.944 130 HA PHE 22 HA PHE 22 -2.367 -1.646 5.227 131 HB2 PHE 22 1HB PHE 22 -3.102 -0.543 2.515 132 HB3 PHE 22 2HB PHE 22 -3.318 0.371 4.004 133 HD1 PHE 22 HD2 PHE 22 -0.796 -1.272 1.858 134 HD2 PHE 22 HD1 PHE 22 -1.520 1.493 5.011 135 HE1 PHE 22 HE2 PHE 22 1.541 -0.514 1.725 136 HE2 PHE 22 HE1 PHE 22 0.815 2.257 4.883 137 HZ PHE 22 HZ PHE 22 2.350 1.252 3.239 138 H ARG 23 H ARG 23 -4.141 -1.186 6.454 139 HA ARG 23 HA ARG 23 -6.474 -2.748 6.043 140 HB2 ARG 23 1HB ARG 23 -5.420 -1.884 8.254 141 HB3 ARG 23 2HB ARG 23 -6.351 -0.425 7.941 142 HG2 ARG 23 1HG ARG 23 -7.838 -1.546 9.237 143 HG3 ARG 23 2HG ARG 23 -8.314 -2.171 7.656 144 HD2 ARG 23 1HD ARG 23 -7.131 -4.193 7.999 145 HD3 ARG 23 2HD ARG 23 -6.292 -3.545 9.408 146 HE ARG 23 HE ARG 23 -9.167 -3.670 9.654 147 HH11 ARG 23 1HH1 ARG 23 -6.137 -5.307 10.159 148 HH12 ARG 23 2HH1 ARG 23 -6.761 -6.361 11.384 149 HH21 ARG 23 1HH2 ARG 23 -10.001 -5.052 11.266 150 HH22 ARG 23 2HH2 ARG 23 -8.959 -6.216 12.012 151 H TRP 24 H TRP 24 -5.949 0.777 6.014 152 HA TRP 24 HA TRP 24 -8.437 1.038 4.458 153 HB2 TRP 24 1HB TRP 24 -7.091 2.958 6.360 154 HB3 TRP 24 2HB TRP 24 -8.383 3.444 5.267 155 HD1 TRP 24 HD1 TRP 24 -7.947 2.455 8.706 156 HE1 TRP 24 HE1 TRP 24 -10.129 1.555 9.731 157 HE3 TRP 24 HE3 TRP 24 -10.604 1.682 4.408 158 HZ2 TRP 24 HZ2 TRP 24 -12.644 0.637 8.837 159 HZ3 TRP 24 HZ3 TRP 24 -12.891 0.790 4.580 160 HH2 TRP 24 HH2 TRP 24 -13.888 0.279 6.749 161 H ALA 25 H ALA 25 -8.395 3.128 3.078 162 HA ALA 25 HA ALA 25 -6.333 2.830 1.153 163 HB1 ALA 25 3HB ALA 25 -8.217 3.551 0.115 164 HB2 ALA 25 1HB ALA 25 -8.717 4.556 1.475 165 HB3 ALA 25 2HB ALA 25 -7.455 5.119 0.378 166 H SER 26 H SER 26 -7.150 5.547 3.317 167 HA SER 26 HA SER 26 -5.131 7.285 2.714 168 HB2 SER 26 1HB SER 26 -6.236 6.662 5.463 169 HB3 SER 26 2HB SER 26 -5.297 8.098 5.056 170 HG SER 26 HG SER 26 -6.943 8.690 3.610 171 H CYS 27 H CYS 27 -4.950 4.813 5.281 172 HA CYS 27 HA CYS 27 -2.393 5.119 6.131 173 HB2 CYS 27 1HB CYS 27 -3.934 2.569 5.649 174 HB3 CYS 27 2HB CYS 27 -2.368 2.593 6.450 175 HG CYS 27 HG CYS 27 -5.384 3.505 7.616 176 H LEU 28 H LEU 28 -3.417 3.389 3.215 177 HA LEU 28 HA LEU 28 -0.803 2.550 2.476 178 HB2 LEU 28 1HB LEU 28 -2.502 1.282 1.538 179 HB3 LEU 28 2HB LEU 28 -3.449 2.700 1.094 180 HG LEU 28 HG LEU 28 -1.810 3.188 -0.694 181 HD11 LEU 28 1HD1 LEU 28 -0.512 0.799 -1.104 182 HD12 LEU 28 2HD1 LEU 28 -0.376 1.036 0.638 183 HD13 LEU 28 3HD1 LEU 28 0.211 2.277 -0.468 184 HD21 LEU 28 3HD2 LEU 28 -3.410 0.685 -0.587 185 HD22 LEU 28 1HD2 LEU 28 -2.350 0.940 -1.973 186 HD23 LEU 28 2HD2 LEU 28 -3.610 2.116 -1.600 187 H LEU 29 H LEU 29 -2.834 5.305 1.594 188 HA LEU 29 HA LEU 29 -1.320 6.378 -0.462 189 HB2 LEU 29 1HB LEU 29 -3.023 7.665 1.649 190 HB3 LEU 29 2HB LEU 29 -2.235 8.608 0.385 191 HG LEU 29 HG LEU 29 -4.248 6.409 -0.089 192 HD11 LEU 29 1HD1 LEU 29 -5.747 7.947 0.507 193 HD12 LEU 29 2HD1 LEU 29 -5.313 8.781 -0.984 194 HD13 LEU 29 3HD1 LEU 29 -4.543 9.235 0.536 195 HD21 LEU 29 3HD2 LEU 29 -3.826 8.295 -2.231 196 HD22 LEU 29 1HD2 LEU 29 -3.741 6.533 -2.249 197 HD23 LEU 29 2HD2 LEU 29 -2.323 7.480 -1.796 198 H LYS 30 H LYS 30 -1.184 7.366 2.966 199 HA LYS 30 HA LYS 30 0.922 9.091 2.898 200 HB2 LYS 30 1HB LYS 30 0.047 7.104 4.969 201 HB3 LYS 30 2HB LYS 30 1.483 8.084 5.239 202 HG2 LYS 30 1HG LYS 30 0.213 10.103 5.117 203 HG3 LYS 30 2HG LYS 30 -1.228 9.224 4.600 204 HD2 LYS 30 1HD LYS 30 -1.511 9.703 6.908 205 HD3 LYS 30 2HD LYS 30 -1.120 7.986 6.793 206 HE2 LYS 30 1HE LYS 30 0.275 8.621 8.497 207 HE3 LYS 30 2HE LYS 30 1.338 8.850 7.109 208 HZ1 LYS 30 3HZ LYS 30 0.920 11.177 7.138 209 HZ2 LYS 30 1HZ LYS 30 1.325 10.724 8.716 210 HZ3 LYS 30 2HZ LYS 30 -0.289 11.020 8.310 211 H HIS 31 H HIS 31 1.047 5.589 2.744 212 HA HIS 31 HA HIS 31 3.887 5.407 3.036 213 HB2 HIS 31 1HB HIS 31 2.791 3.436 3.627 214 HB3 HIS 31 2HB HIS 31 1.714 3.500 2.235 215 HD1 HIS 31 HD1 HIS 31 5.350 2.795 3.043 216 HD2 HIS 31 HD2 HIS 31 2.518 1.996 0.110 217 HE1 HIS 31 HE1 HIS 31 6.448 1.163 1.476 218 H GLN 32 H GLN 32 1.650 5.539 0.314 219 HA GLN 32 HA GLN 32 3.254 4.847 -1.792 220 HB2 GLN 32 1HB GLN 32 1.248 7.105 -1.681 221 HB3 GLN 32 2HB GLN 32 1.908 6.423 -3.162 222 HG2 GLN 32 1HG GLN 32 0.971 4.209 -2.436 223 HG3 GLN 32 2HG GLN 32 0.136 5.074 -1.146 224 HE21 GLN 32 1HE2 GLN 32 -1.918 4.734 -1.837 225 HE22 GLN 32 2HE2 GLN 32 -2.557 5.374 -3.309 226 H ARG 33 H ARG 33 3.431 7.702 0.179 227 HA ARG 33 HA ARG 33 4.816 9.465 -1.426 228 HB2 ARG 33 1HB ARG 33 4.854 8.933 1.523 229 HB3 ARG 33 2HB ARG 33 5.969 10.105 0.833 230 HG2 ARG 33 1HG ARG 33 4.022 11.299 -0.142 231 HG3 ARG 33 2HG ARG 33 2.964 10.180 0.720 232 HD2 ARG 33 1HD ARG 33 3.552 11.023 2.797 233 HD3 ARG 33 2HD ARG 33 5.070 11.695 2.204 234 HE ARG 33 HE ARG 33 3.051 13.055 0.896 235 HH11 ARG 33 1HH1 ARG 33 4.105 12.577 4.179 236 HH12 ARG 33 2HH1 ARG 33 3.530 14.118 4.726 237 HH21 ARG 33 1HH2 ARG 33 2.290 15.086 1.603 238 HH22 ARG 33 2HH2 ARG 33 2.497 15.543 3.260 239 H VAL 34 H VAL 34 6.035 6.681 0.360 240 HA VAL 34 HA VAL 34 8.775 7.123 0.065 241 HB VAL 34 HB VAL 34 9.063 4.709 0.376 242 HG11 VAL 34 1HG1 VAL 34 8.781 5.821 2.401 243 HG12 VAL 34 2HG1 VAL 34 7.076 6.157 2.090 244 HG13 VAL 34 3HG1 VAL 34 7.596 4.517 2.483 245 HG21 VAL 34 3HG2 VAL 34 6.474 3.768 0.813 246 HG22 VAL 34 1HG2 VAL 34 6.395 4.641 -0.717 247 HG23 VAL 34 2HG2 VAL 34 7.555 3.329 -0.509 248 H HIS 35 H HIS 35 6.398 5.966 -2.201 249 HA HIS 35 HA HIS 35 8.458 5.187 -4.122 250 HB2 HIS 35 1HB HIS 35 5.443 5.006 -4.307 251 HB3 HIS 35 2HB HIS 35 6.582 4.362 -5.486 252 HD1 HIS 35 HD1 HIS 35 8.446 2.662 -4.118 253 HD2 HIS 35 HD2 HIS 35 4.558 3.036 -2.704 254 HE1 HIS 35 HE1 HIS 35 8.046 0.621 -2.704 255 H SER 36 H SER 36 7.916 8.001 -3.283 256 HA SER 36 HA SER 36 7.089 9.130 -5.871 257 HB2 SER 36 1HB SER 36 5.787 9.889 -3.909 258 HB3 SER 36 2HB SER 36 7.271 10.498 -3.175 259 HG SER 36 HG SER 36 6.275 12.195 -4.215 260 H GLY 37 H GLY 37 8.443 10.412 -7.032 261 HA2 GLY 37 1HA GLY 37 10.339 11.985 -7.015 262 HA3 GLY 37 2HA GLY 37 11.121 10.895 -5.879 263 H GLU 38 H GLU 38 12.616 11.540 -7.944 264 HA GLU 38 HA GLU 38 12.889 9.041 -9.363 265 HB2 GLU 38 1HB GLU 38 11.351 10.167 -10.851 266 HB3 GLU 38 2HB GLU 38 12.345 11.617 -10.846 267 HG2 GLU 38 1HG GLU 38 14.053 10.566 -12.095 268 HG3 GLU 38 2HG GLU 38 13.334 8.973 -11.867 269 H LYS 39 H LYS 39 14.956 8.601 -9.004 270 HA LYS 39 HA LYS 39 16.943 10.367 -8.249 271 HB2 LYS 39 1HB LYS 39 16.940 7.626 -9.427 272 HB3 LYS 39 2HB LYS 39 18.470 8.489 -9.336 273 HG2 LYS 39 1HG LYS 39 18.220 8.732 -6.936 274 HG3 LYS 39 2HG LYS 39 16.646 7.935 -7.003 275 HD2 LYS 39 1HD LYS 39 17.960 6.157 -6.419 276 HD3 LYS 39 2HD LYS 39 18.051 6.032 -8.178 277 HE2 LYS 39 1HE LYS 39 20.268 5.813 -7.424 278 HE3 LYS 39 2HE LYS 39 20.141 7.468 -8.018 279 HZ1 LYS 39 3HZ LYS 39 20.424 6.497 -5.270 280 HZ2 LYS 39 1HZ LYS 39 19.546 7.921 -5.522 281 HZ3 LYS 39 2HZ LYS 39 21.157 7.820 -6.027 282 HA PRO 40 HA PRO 40 18.312 12.504 -11.830 283 HB2 PRO 40 1HB PRO 40 20.990 12.642 -11.406 284 HB3 PRO 40 2HB PRO 40 19.820 13.587 -10.477 285 HG2 PRO 40 1HG PRO 40 21.199 11.031 -9.747 286 HG3 PRO 40 2HG PRO 40 20.901 12.467 -8.749 287 HD2 PRO 40 1HD PRO 40 19.374 10.237 -8.585 288 HD3 PRO 40 2HD PRO 40 18.721 11.864 -8.309 289 H SER 41 H SER 41 18.963 12.115 -13.891 290 HA SER 41 HA SER 41 20.007 9.433 -14.456 291 HB2 SER 41 1HB SER 41 18.329 11.383 -15.976 292 HB3 SER 41 2HB SER 41 19.327 10.248 -16.885 293 HG SER 41 HG SER 41 17.513 9.483 -14.844 294 H GLY 42 H GLY 42 20.519 12.841 -15.313 295 HA2 GLY 42 1HA GLY 42 22.581 12.696 -17.087 296 HA3 GLY 42 2HA GLY 42 22.475 13.940 -15.850 297 HA PRO 43 HA PRO 43 26.111 12.445 -13.923 298 HB2 PRO 43 1HB PRO 43 25.566 12.792 -11.286 299 HB3 PRO 43 2HB PRO 43 25.883 14.138 -12.387 300 HG2 PRO 43 1HG PRO 43 23.264 13.071 -11.405 301 HG3 PRO 43 2HG PRO 43 23.789 14.755 -11.584 302 HD2 PRO 43 1HD PRO 43 22.193 13.526 -13.394 303 HD3 PRO 43 2HD PRO 43 23.367 14.777 -13.850 304 H SER 44 H SER 44 25.783 10.219 -14.600 305 HA SER 44 HA SER 44 24.305 8.267 -13.389 306 HB2 SER 44 1HB SER 44 25.911 6.656 -14.221 307 HB3 SER 44 2HB SER 44 25.754 7.958 -15.401 308 HG SER 44 HG SER 44 27.866 7.442 -13.602 309 H SER 45 H SER 45 27.476 9.473 -12.368 310 HA SER 45 HA SER 45 28.738 9.022 -10.504 311 HB2 SER 45 1HB SER 45 25.976 9.669 -9.534 312 HB3 SER 45 2HB SER 45 27.226 9.237 -8.367 313 HG SER 45 HG SER 45 27.743 11.269 -8.532 314 H GLY 46 H GLY 46 28.205 6.653 -11.757 315 HA2 GLY 46 1HA GLY 46 26.903 4.644 -10.387 316 HA3 GLY 46 2HA GLY 46 28.350 4.396 -11.353 Start of MODEL 4 1 H1 GLY 1 1H GLY 1 2.310 -24.121 5.045 2 HA2 GLY 1 1HA GLY 1 1.047 -26.534 5.590 3 HA3 GLY 1 2HA GLY 1 2.679 -26.384 4.956 4 H SER 2 H SER 2 3.966 -25.181 7.092 5 HA SER 2 HA SER 2 4.109 -27.436 8.927 6 HB2 SER 2 1HB SER 2 5.882 -24.995 8.669 7 HB3 SER 2 2HB SER 2 6.193 -26.379 9.717 8 HG SER 2 HG SER 2 7.213 -27.094 8.016 9 H SER 3 H SER 3 3.655 -27.366 11.074 10 HA SER 3 HA SER 3 1.711 -25.778 12.108 11 HB2 SER 3 1HB SER 3 3.023 -27.846 13.112 12 HB3 SER 3 2HB SER 3 3.906 -26.584 13.971 13 HG SER 3 HG SER 3 1.963 -27.457 15.028 14 H GLY 4 H GLY 4 1.523 -23.683 12.517 15 HA2 GLY 4 1HA GLY 4 2.536 -21.880 13.967 16 HA3 GLY 4 2HA GLY 4 3.990 -22.135 13.013 17 H SER 5 H SER 5 0.546 -21.325 12.640 18 HA SER 5 HA SER 5 1.331 -19.346 10.614 19 HB2 SER 5 1HB SER 5 -0.681 -21.545 10.362 20 HB3 SER 5 2HB SER 5 -0.997 -20.010 9.553 21 HG SER 5 HG SER 5 0.506 -20.453 8.147 22 H SER 6 H SER 6 0.969 -17.518 11.736 23 HA SER 6 HA SER 6 -1.422 -17.250 13.374 24 HB2 SER 6 1HB SER 6 0.917 -15.386 12.912 25 HB3 SER 6 2HB SER 6 -0.432 -15.041 13.993 26 HG SER 6 HG SER 6 0.308 -16.459 15.398 27 H GLY 7 H GLY 7 0.132 -15.404 10.742 28 HA2 GLY 7 1HA GLY 7 -2.154 -15.109 9.177 29 HA3 GLY 7 2HA GLY 7 -2.105 -13.734 10.270 30 H THR 8 H THR 8 -1.726 -14.090 7.279 31 HA THR 8 HA THR 8 1.009 -13.161 6.910 32 HB THR 8 HB THR 8 -1.165 -13.608 4.854 33 HG1 THR 8 HG1 THR 8 -0.353 -15.606 4.642 34 HG21 THR 8 3HG2 THR 8 0.252 -12.896 3.268 35 HG22 THR 8 1HG2 THR 8 1.626 -13.723 4.001 36 HG23 THR 8 2HG2 THR 8 1.140 -12.131 4.585 37 H GLY 9 H GLY 9 -2.305 -11.983 6.387 38 HA2 GLY 9 1HA GLY 9 -2.301 -9.502 7.218 39 HA3 GLY 9 2HA GLY 9 -1.248 -9.307 5.824 40 H GLU 10 H GLU 10 -4.401 -10.772 6.625 41 HA GLU 10 HA GLU 10 -5.413 -10.539 3.988 42 HB2 GLU 10 1HB GLU 10 -7.607 -11.042 5.026 43 HB3 GLU 10 2HB GLU 10 -6.347 -12.168 5.509 44 HG2 GLU 10 1HG GLU 10 -6.103 -10.499 7.530 45 HG3 GLU 10 2HG GLU 10 -7.768 -10.109 7.106 46 H LYS 11 H LYS 11 -5.147 -8.434 3.267 47 HA LYS 11 HA LYS 11 -7.042 -6.504 4.410 48 HB2 LYS 11 1HB LYS 11 -4.133 -6.057 3.785 49 HB3 LYS 11 2HB LYS 11 -5.278 -4.723 3.794 50 HG2 LYS 11 1HG LYS 11 -5.613 -4.844 6.067 51 HG3 LYS 11 2HG LYS 11 -5.121 -6.537 6.156 52 HD2 LYS 11 1HD LYS 11 -2.807 -5.910 5.767 53 HD3 LYS 11 2HD LYS 11 -3.275 -4.218 5.582 54 HE2 LYS 11 1HE LYS 11 -4.215 -4.377 7.935 55 HE3 LYS 11 2HE LYS 11 -3.368 -5.918 8.063 56 HZ1 LYS 11 3HZ LYS 11 -1.352 -4.913 8.120 57 HZ2 LYS 11 1HZ LYS 11 -2.263 -3.656 8.792 58 HZ3 LYS 11 2HZ LYS 11 -1.830 -3.606 7.158 59 HA PRO 12 HA PRO 12 -8.362 -5.965 0.251 60 HB2 PRO 12 1HB PRO 12 -9.385 -3.455 0.407 61 HB3 PRO 12 2HB PRO 12 -10.181 -4.863 1.119 62 HG2 PRO 12 1HG PRO 12 -8.466 -2.792 2.433 63 HG3 PRO 12 2HG PRO 12 -9.981 -3.515 3.003 64 HD2 PRO 12 1HD PRO 12 -7.556 -4.307 3.912 65 HD3 PRO 12 2HD PRO 12 -8.932 -5.420 3.765 66 H TYR 13 H TYR 13 -6.464 -3.338 1.691 67 HA TYR 13 HA TYR 13 -5.565 -2.499 -0.960 68 HB2 TYR 13 1HB TYR 13 -4.833 -1.244 1.684 69 HB3 TYR 13 2HB TYR 13 -4.728 -0.525 0.081 70 HD1 TYR 13 HD2 TYR 13 -6.767 0.223 -1.079 71 HD2 TYR 13 HD1 TYR 13 -6.905 -1.283 2.898 72 HE1 TYR 13 HE2 TYR 13 -9.010 1.192 -0.796 73 HE2 TYR 13 HE1 TYR 13 -9.148 -0.319 3.192 74 HH TYR 13 HH TYR 13 -10.825 0.771 2.228 75 H ASN 14 H ASN 14 -3.561 -2.845 -1.729 76 HA ASN 14 HA ASN 14 -1.423 -3.688 0.053 77 HB2 ASN 14 1HB ASN 14 -0.921 -5.657 -1.477 78 HB3 ASN 14 2HB ASN 14 -2.325 -5.833 -0.428 79 HD21 ASN 14 1HD2 ASN 14 -1.210 -6.253 -3.487 80 HD22 ASN 14 2HD2 ASN 14 -2.712 -6.275 -4.341 81 H CYS 15 H CYS 15 0.152 -2.326 -0.467 82 HA CYS 15 HA CYS 15 0.368 -0.912 -2.870 83 HB2 CYS 15 1HB CYS 15 1.447 -0.300 -0.687 84 HB3 CYS 15 2HB CYS 15 2.633 -1.568 -0.977 85 H LYS 16 H LYS 16 0.745 -1.713 -4.819 86 HA LYS 16 HA LYS 16 1.946 -4.263 -5.250 87 HB2 LYS 16 1HB LYS 16 1.056 -2.040 -7.070 88 HB3 LYS 16 2HB LYS 16 1.894 -3.452 -7.699 89 HG2 LYS 16 1HG LYS 16 0.154 -4.896 -7.097 90 HG3 LYS 16 2HG LYS 16 -0.572 -3.706 -6.013 91 HD2 LYS 16 1HD LYS 16 -1.972 -3.504 -7.811 92 HD3 LYS 16 2HD LYS 16 -0.753 -2.303 -8.245 93 HE2 LYS 16 1HE LYS 16 -1.194 -3.630 -10.180 94 HE3 LYS 16 2HE LYS 16 0.402 -4.073 -9.576 95 HZ1 LYS 16 3HZ LYS 16 -0.737 -5.960 -8.408 96 HZ2 LYS 16 1HZ LYS 16 -0.708 -6.070 -10.096 97 HZ3 LYS 16 2HZ LYS 16 -2.125 -5.596 -9.304 98 H GLU 17 H GLU 17 3.058 -0.932 -5.465 99 HA GLU 17 HA GLU 17 5.378 -1.098 -6.860 100 HB2 GLU 17 1HB GLU 17 4.702 0.421 -4.359 101 HB3 GLU 17 2HB GLU 17 6.303 0.549 -5.077 102 HG2 GLU 17 1HG GLU 17 3.675 1.288 -6.334 103 HG3 GLU 17 2HG GLU 17 4.981 2.370 -5.856 104 H CYS 18 H CYS 18 5.263 -1.569 -3.323 105 HA CYS 18 HA CYS 18 7.754 -3.101 -3.504 106 HB2 CYS 18 1HB CYS 18 7.828 -2.836 -1.034 107 HB3 CYS 18 2HB CYS 18 7.785 -1.297 -1.887 108 H GLY 19 H GLY 19 4.420 -3.342 -2.368 109 HA2 GLY 19 1HA GLY 19 3.273 -5.465 -2.646 110 HA3 GLY 19 2HA GLY 19 4.782 -6.268 -2.241 111 H LYS 20 H LYS 20 3.242 -3.533 -0.603 112 HA LYS 20 HA LYS 20 3.274 -5.101 1.874 113 HB2 LYS 20 1HB LYS 20 3.267 -2.163 1.269 114 HB3 LYS 20 2HB LYS 20 2.737 -2.737 2.845 115 HG2 LYS 20 1HG LYS 20 4.867 -3.706 3.294 116 HG3 LYS 20 2HG LYS 20 5.409 -3.414 1.639 117 HD2 LYS 20 1HD LYS 20 5.287 -1.008 2.012 118 HD3 LYS 20 2HD LYS 20 4.696 -1.280 3.653 119 HE2 LYS 20 1HE LYS 20 6.798 -2.446 4.187 120 HE3 LYS 20 2HE LYS 20 7.385 -2.105 2.560 121 HZ1 LYS 20 3HZ LYS 20 6.791 0.337 3.291 122 HZ2 LYS 20 1HZ LYS 20 8.285 -0.360 3.670 123 HZ3 LYS 20 2HZ LYS 20 7.060 -0.299 4.835 124 H SER 21 H SER 21 1.430 -4.285 3.444 125 HA SER 21 HA SER 21 -1.111 -4.277 1.956 126 HB2 SER 21 1HB SER 21 -0.405 -5.937 4.385 127 HB3 SER 21 2HB SER 21 -2.044 -5.750 3.762 128 HG SER 21 HG SER 21 -0.071 -6.535 1.959 129 H PHE 22 H PHE 22 -2.874 -3.256 2.985 130 HA PHE 22 HA PHE 22 -2.354 -1.797 5.454 131 HB2 PHE 22 1HB PHE 22 -3.124 -0.423 2.870 132 HB3 PHE 22 2HB PHE 22 -3.092 0.347 4.453 133 HD1 PHE 22 HD1 PHE 22 -0.981 0.833 5.558 134 HD2 PHE 22 HD2 PHE 22 -1.098 -0.918 1.680 135 HE1 PHE 22 HE1 PHE 22 1.392 1.395 5.237 136 HE2 PHE 22 HE2 PHE 22 1.276 -0.359 1.353 137 HZ PHE 22 HZ PHE 22 2.524 0.798 3.132 138 H ARG 23 H ARG 23 -4.146 -1.503 6.675 139 HA ARG 23 HA ARG 23 -6.499 -2.940 6.011 140 HB2 ARG 23 1HB ARG 23 -5.450 -2.285 8.341 141 HB3 ARG 23 2HB ARG 23 -6.486 -0.874 8.171 142 HG2 ARG 23 1HG ARG 23 -8.445 -2.207 8.120 143 HG3 ARG 23 2HG ARG 23 -7.505 -3.692 7.954 144 HD2 ARG 23 1HD ARG 23 -7.245 -1.885 10.341 145 HD3 ARG 23 2HD ARG 23 -8.458 -3.162 10.259 146 HE ARG 23 HE ARG 23 -5.642 -3.479 10.699 147 HH11 ARG 23 1HH1 ARG 23 -8.526 -5.011 9.492 148 HH12 ARG 23 2HH1 ARG 23 -7.939 -6.620 9.757 149 HH21 ARG 23 1HH2 ARG 23 -4.858 -5.592 11.052 150 HH22 ARG 23 2HH2 ARG 23 -5.853 -6.949 10.645 151 H TRP 24 H TRP 24 -5.810 0.537 6.291 152 HA TRP 24 HA TRP 24 -8.372 1.097 4.966 153 HB2 TRP 24 1HB TRP 24 -6.563 2.778 6.694 154 HB3 TRP 24 2HB TRP 24 -7.839 3.493 5.712 155 HD1 TRP 24 HD1 TRP 24 -7.281 2.322 9.096 156 HE1 TRP 24 HE1 TRP 24 -9.498 1.823 10.306 157 HE3 TRP 24 HE3 TRP 24 -10.412 2.254 5.056 158 HZ2 TRP 24 HZ2 TRP 24 -12.214 1.450 9.635 159 HZ3 TRP 24 HZ3 TRP 24 -12.806 1.818 5.426 160 HH2 TRP 24 HH2 TRP 24 -13.686 1.424 7.669 161 H ALA 25 H ALA 25 -8.284 3.114 3.525 162 HA ALA 25 HA ALA 25 -6.349 2.605 1.458 163 HB1 ALA 25 3HB ALA 25 -8.620 4.565 1.694 164 HB2 ALA 25 1HB ALA 25 -7.559 4.479 0.288 165 HB3 ALA 25 2HB ALA 25 -8.552 3.090 0.731 166 H SER 26 H SER 26 -7.235 5.532 3.302 167 HA SER 26 HA SER 26 -5.253 7.221 2.446 168 HB2 SER 26 1HB SER 26 -5.406 8.134 4.907 169 HB3 SER 26 2HB SER 26 -6.800 8.252 3.833 170 HG SER 26 HG SER 26 -6.595 6.968 6.168 171 H CYS 27 H CYS 27 -4.995 4.542 4.659 172 HA CYS 27 HA CYS 27 -2.493 5.203 5.797 173 HB2 CYS 27 1HB CYS 27 -4.295 3.368 6.427 174 HB3 CYS 27 2HB CYS 27 -3.286 2.350 5.407 175 HG CYS 27 HG CYS 27 -0.963 2.774 6.931 176 H LEU 28 H LEU 28 -3.422 3.418 2.905 177 HA LEU 28 HA LEU 28 -0.755 2.569 2.293 178 HB2 LEU 28 1HB LEU 28 -2.344 1.166 1.390 179 HB3 LEU 28 2HB LEU 28 -3.393 2.496 0.904 180 HG LEU 28 HG LEU 28 -1.864 3.019 -0.941 181 HD11 LEU 28 1HD1 LEU 28 -0.347 0.615 -1.025 182 HD12 LEU 28 2HD1 LEU 28 -0.074 1.399 0.530 183 HD13 LEU 28 3HD1 LEU 28 0.224 2.283 -0.966 184 HD21 LEU 28 3HD2 LEU 28 -2.857 0.179 -0.779 185 HD22 LEU 28 1HD2 LEU 28 -2.267 0.932 -2.261 186 HD23 LEU 28 2HD2 LEU 28 -3.695 1.578 -1.452 187 H LEU 29 H LEU 29 -2.878 5.184 1.224 188 HA LEU 29 HA LEU 29 -1.313 6.180 -0.860 189 HB2 LEU 29 1HB LEU 29 -3.483 7.022 -0.697 190 HB3 LEU 29 2HB LEU 29 -3.294 7.433 1.006 191 HG LEU 29 HG LEU 29 -1.623 9.200 0.206 192 HD11 LEU 29 1HD1 LEU 29 -1.600 8.112 -2.132 193 HD12 LEU 29 2HD1 LEU 29 -1.614 9.871 -2.015 194 HD13 LEU 29 3HD1 LEU 29 -3.101 9.001 -2.390 195 HD21 LEU 29 3HD2 LEU 29 -3.873 10.436 -0.809 196 HD22 LEU 29 1HD2 LEU 29 -3.395 10.368 0.888 197 HD23 LEU 29 2HD2 LEU 29 -4.528 9.180 0.243 198 H LYS 30 H LYS 30 -1.320 7.053 2.585 199 HA LYS 30 HA LYS 30 0.627 9.047 2.486 200 HB2 LYS 30 1HB LYS 30 -0.348 7.193 4.623 201 HB3 LYS 30 2HB LYS 30 1.068 8.189 4.932 202 HG2 LYS 30 1HG LYS 30 -1.372 9.501 3.857 203 HG3 LYS 30 2HG LYS 30 -1.354 9.005 5.551 204 HD2 LYS 30 1HD LYS 30 0.842 10.652 4.316 205 HD3 LYS 30 2HD LYS 30 -0.589 11.374 5.055 206 HE2 LYS 30 1HE LYS 30 1.319 9.495 6.443 207 HE3 LYS 30 2HE LYS 30 1.340 11.251 6.596 208 HZ1 LYS 30 3HZ LYS 30 -0.093 11.006 8.252 209 HZ2 LYS 30 1HZ LYS 30 -0.293 9.355 7.937 210 HZ3 LYS 30 2HZ LYS 30 -1.250 10.492 7.130 211 H HIS 31 H HIS 31 0.923 5.565 2.510 212 HA HIS 31 HA HIS 31 3.728 5.519 3.072 213 HB2 HIS 31 1HB HIS 31 2.775 3.498 3.625 214 HB3 HIS 31 2HB HIS 31 1.676 3.517 2.249 215 HD1 HIS 31 HD1 HIS 31 5.236 2.698 3.155 216 HD2 HIS 31 HD2 HIS 31 2.596 2.234 -0.019 217 HE1 HIS 31 HE1 HIS 31 6.380 1.135 1.552 218 H GLN 32 H GLN 32 1.753 5.585 0.171 219 HA GLN 32 HA GLN 32 3.538 4.844 -1.776 220 HB2 GLN 32 1HB GLN 32 1.415 6.983 -1.796 221 HB3 GLN 32 2HB GLN 32 2.325 6.548 -3.236 222 HG2 GLN 32 1HG GLN 32 1.433 4.366 -3.261 223 HG3 GLN 32 2HG GLN 32 0.782 4.535 -1.632 224 HE21 GLN 32 1HE2 GLN 32 -1.197 3.799 -2.693 225 HE22 GLN 32 2HE2 GLN 32 -2.213 4.967 -3.459 226 H ARG 33 H ARG 33 3.677 7.594 0.271 227 HA ARG 33 HA ARG 33 5.139 9.397 -1.275 228 HB2 ARG 33 1HB ARG 33 4.933 8.886 1.672 229 HB3 ARG 33 2HB ARG 33 6.102 10.052 1.066 230 HG2 ARG 33 1HG ARG 33 4.247 11.245 -0.068 231 HG3 ARG 33 2HG ARG 33 3.117 10.128 0.700 232 HD2 ARG 33 1HD ARG 33 3.070 11.872 2.189 233 HD3 ARG 33 2HD ARG 33 4.349 10.880 2.888 234 HE ARG 33 HE ARG 33 5.739 12.523 1.298 235 HH11 ARG 33 1HH1 ARG 33 3.221 13.138 3.623 236 HH12 ARG 33 2HH1 ARG 33 3.807 14.716 4.035 237 HH21 ARG 33 1HH2 ARG 33 6.521 14.598 1.833 238 HH22 ARG 33 2HH2 ARG 33 5.684 15.546 3.015 239 H VAL 34 H VAL 34 6.171 6.575 0.549 240 HA VAL 34 HA VAL 34 8.940 7.022 0.498 241 HB VAL 34 HB VAL 34 9.175 4.587 0.821 242 HG11 VAL 34 1HG1 VAL 34 8.768 5.928 2.765 243 HG12 VAL 34 2HG1 VAL 34 7.032 5.943 2.450 244 HG13 VAL 34 3HG1 VAL 34 7.832 4.441 2.913 245 HG21 VAL 34 3HG2 VAL 34 6.423 3.885 1.115 246 HG22 VAL 34 1HG2 VAL 34 6.689 4.511 -0.512 247 HG23 VAL 34 2HG2 VAL 34 7.648 3.154 0.079 248 H HIS 35 H HIS 35 6.737 5.879 -1.937 249 HA HIS 35 HA HIS 35 8.895 4.979 -3.673 250 HB2 HIS 35 1HB HIS 35 5.892 5.003 -4.014 251 HB3 HIS 35 2HB HIS 35 7.012 4.434 -5.249 252 HD1 HIS 35 HD1 HIS 35 8.699 2.438 -4.250 253 HD2 HIS 35 HD2 HIS 35 5.012 3.012 -2.423 254 HE1 HIS 35 HE1 HIS 35 8.229 0.307 -3.001 255 H SER 36 H SER 36 8.504 7.835 -2.865 256 HA SER 36 HA SER 36 8.309 9.934 -3.794 257 HB2 SER 36 1HB SER 36 10.006 8.471 -5.830 258 HB3 SER 36 2HB SER 36 9.874 10.225 -5.710 259 HG SER 36 HG SER 36 11.621 8.847 -4.504 260 H GLY 37 H GLY 37 6.023 8.418 -4.386 261 HA2 GLY 37 1HA GLY 37 5.168 8.089 -6.935 262 HA3 GLY 37 2HA GLY 37 4.135 8.755 -5.679 263 H GLU 38 H GLU 38 4.026 11.061 -5.439 264 HA GLU 38 HA GLU 38 3.993 12.404 -7.962 265 HB2 GLU 38 1HB GLU 38 3.174 14.336 -6.679 266 HB3 GLU 38 2HB GLU 38 2.289 12.870 -6.286 267 HG2 GLU 38 1HG GLU 38 3.109 12.769 -4.167 268 HG3 GLU 38 2HG GLU 38 4.617 13.575 -4.593 269 H LYS 39 H LYS 39 5.260 14.085 -8.690 270 HA LYS 39 HA LYS 39 7.616 14.792 -7.085 271 HB2 LYS 39 1HB LYS 39 7.536 13.574 -9.798 272 HB3 LYS 39 2HB LYS 39 8.736 14.826 -9.511 273 HG2 LYS 39 1HG LYS 39 9.264 13.390 -7.381 274 HG3 LYS 39 2HG LYS 39 8.510 12.107 -8.329 275 HD2 LYS 39 1HD LYS 39 10.115 12.994 -10.211 276 HD3 LYS 39 2HD LYS 39 11.030 13.621 -8.838 277 HE2 LYS 39 1HE LYS 39 10.124 10.761 -8.962 278 HE3 LYS 39 2HE LYS 39 11.628 11.289 -9.715 279 HZ1 LYS 39 3HZ LYS 39 11.345 10.516 -7.133 280 HZ2 LYS 39 1HZ LYS 39 11.339 12.203 -7.010 281 HZ3 LYS 39 2HZ LYS 39 12.639 11.414 -7.750 282 HA PRO 40 HA PRO 40 6.554 18.920 -8.182 283 HB2 PRO 40 1HB PRO 40 8.961 20.109 -7.773 284 HB3 PRO 40 2HB PRO 40 7.917 19.572 -6.451 285 HG2 PRO 40 1HG PRO 40 10.305 18.220 -7.649 286 HG3 PRO 40 2HG PRO 40 9.856 18.393 -5.942 287 HD2 PRO 40 1HD PRO 40 9.421 16.115 -7.339 288 HD3 PRO 40 2HD PRO 40 8.346 16.654 -6.033 289 H SER 41 H SER 41 8.467 16.939 -10.037 290 HA SER 41 HA SER 41 9.143 16.995 -12.210 291 HB2 SER 41 1HB SER 41 6.904 18.075 -12.551 292 HB3 SER 41 2HB SER 41 7.691 19.645 -12.387 293 HG SER 41 HG SER 41 8.293 17.672 -14.339 294 H GLY 42 H GLY 42 10.729 18.191 -10.060 295 HA2 GLY 42 1HA GLY 42 12.728 19.429 -11.703 296 HA3 GLY 42 2HA GLY 42 11.967 20.571 -10.605 297 HA PRO 43 HA PRO 43 14.237 17.249 -7.891 298 HB2 PRO 43 1HB PRO 43 16.032 15.690 -9.202 299 HB3 PRO 43 2HB PRO 43 14.339 15.230 -8.982 300 HG2 PRO 43 1HG PRO 43 15.679 16.441 -11.370 301 HG3 PRO 43 2HG PRO 43 14.490 15.127 -11.301 302 HD2 PRO 43 1HD PRO 43 13.816 17.668 -11.946 303 HD3 PRO 43 2HD PRO 43 12.713 16.577 -11.084 304 H SER 44 H SER 44 15.353 19.444 -10.121 305 HA SER 44 HA SER 44 17.035 20.986 -10.033 306 HB2 SER 44 1HB SER 44 16.706 20.517 -7.454 307 HB3 SER 44 2HB SER 44 18.268 19.716 -7.620 308 HG SER 44 HG SER 44 17.741 22.331 -7.452 309 H SER 45 H SER 45 17.272 18.648 -11.562 310 HA SER 45 HA SER 45 20.148 18.044 -11.369 311 HB2 SER 45 1HB SER 45 18.674 16.072 -11.162 312 HB3 SER 45 2HB SER 45 17.972 16.442 -12.737 313 HG SER 45 HG SER 45 19.928 16.012 -13.697 314 H GLY 46 H GLY 46 19.264 20.450 -12.536 315 HA2 GLY 46 1HA GLY 46 20.241 21.556 -14.397 316 HA3 GLY 46 2HA GLY 46 20.246 20.029 -15.267 Start of MODEL 5 1 H1 GLY 1 1H GLY 1 8.539 -10.803 10.267 2 HA2 GLY 1 1HA GLY 1 8.286 -12.789 12.020 3 HA3 GLY 1 2HA GLY 1 7.462 -12.862 10.470 4 H SER 2 H SER 2 10.919 -13.166 11.210 5 HA SER 2 HA SER 2 11.265 -15.357 9.460 6 HB2 SER 2 1HB SER 2 13.524 -15.421 10.223 7 HB3 SER 2 2HB SER 2 13.049 -13.722 10.236 8 HG SER 2 HG SER 2 13.908 -15.237 12.268 9 H SER 3 H SER 3 12.164 -17.491 10.155 10 HA SER 3 HA SER 3 11.589 -19.528 11.044 11 HB2 SER 3 1HB SER 3 12.077 -19.667 13.487 12 HB3 SER 3 2HB SER 3 13.335 -18.832 12.575 13 HG SER 3 HG SER 3 11.438 -17.793 14.365 14 H GLY 4 H GLY 4 9.294 -18.108 10.388 15 HA2 GLY 4 1HA GLY 4 7.330 -19.480 11.856 16 HA3 GLY 4 2HA GLY 4 7.416 -17.831 12.457 17 H SER 5 H SER 5 5.369 -17.271 11.738 18 HA SER 5 HA SER 5 5.210 -16.732 8.870 19 HB2 SER 5 1HB SER 5 2.856 -17.550 8.803 20 HB3 SER 5 2HB SER 5 4.025 -18.838 9.095 21 HG SER 5 HG SER 5 3.382 -18.975 11.166 22 H SER 6 H SER 6 3.025 -15.460 8.486 23 HA SER 6 HA SER 6 1.988 -13.883 10.585 24 HB2 SER 6 1HB SER 6 3.012 -11.707 9.973 25 HB3 SER 6 2HB SER 6 4.198 -12.851 10.600 26 HG SER 6 HG SER 6 3.702 -12.382 7.845 27 H GLY 7 H GLY 7 0.084 -13.086 9.940 28 HA2 GLY 7 1HA GLY 7 -0.805 -11.679 7.924 29 HA3 GLY 7 2HA GLY 7 -0.527 -13.191 7.073 30 H THR 8 H THR 8 -2.493 -11.534 9.423 31 HA THR 8 HA THR 8 -4.384 -13.795 9.382 32 HB THR 8 HB THR 8 -5.251 -13.021 11.528 33 HG1 THR 8 HG1 THR 8 -4.875 -10.999 12.009 34 HG21 THR 8 3HG2 THR 8 -2.495 -13.015 12.373 35 HG22 THR 8 1HG2 THR 8 -2.749 -14.202 11.095 36 HG23 THR 8 2HG2 THR 8 -3.720 -14.268 12.565 37 H GLY 9 H GLY 9 -5.648 -13.216 7.655 38 HA2 GLY 9 1HA GLY 9 -7.696 -12.218 7.009 39 HA3 GLY 9 2HA GLY 9 -7.349 -10.871 8.083 40 H GLU 10 H GLU 10 -7.464 -11.853 4.906 41 HA GLU 10 HA GLU 10 -5.318 -10.424 3.762 42 HB2 GLU 10 1HB GLU 10 -6.435 -12.102 2.463 43 HB3 GLU 10 2HB GLU 10 -7.982 -11.285 2.635 44 HG2 GLU 10 1HG GLU 10 -7.217 -10.858 0.444 45 HG3 GLU 10 2HG GLU 10 -7.005 -9.365 1.357 46 H LYS 11 H LYS 11 -5.052 -8.332 3.264 47 HA LYS 11 HA LYS 11 -7.103 -6.456 4.130 48 HB2 LYS 11 1HB LYS 11 -4.194 -6.240 3.441 49 HB3 LYS 11 2HB LYS 11 -5.196 -4.795 3.452 50 HG2 LYS 11 1HG LYS 11 -5.500 -4.851 5.720 51 HG3 LYS 11 2HG LYS 11 -5.265 -6.598 5.818 52 HD2 LYS 11 1HD LYS 11 -2.857 -6.235 5.283 53 HD3 LYS 11 2HD LYS 11 -3.145 -4.497 5.379 54 HE2 LYS 11 1HE LYS 11 -4.164 -5.163 7.727 55 HE3 LYS 11 2HE LYS 11 -3.085 -6.544 7.537 56 HZ1 LYS 11 3HZ LYS 11 -1.227 -5.211 7.585 57 HZ2 LYS 11 1HZ LYS 11 -2.233 -4.413 8.687 58 HZ3 LYS 11 2HZ LYS 11 -2.062 -3.818 7.113 59 HA PRO 12 HA PRO 12 -8.604 -5.592 0.083 60 HB2 PRO 12 1HB PRO 12 -9.581 -3.095 0.506 61 HB3 PRO 12 2HB PRO 12 -10.370 -4.553 1.122 62 HG2 PRO 12 1HG PRO 12 -8.570 -2.629 2.544 63 HG3 PRO 12 2HG PRO 12 -10.072 -3.383 3.109 64 HD2 PRO 12 1HD PRO 12 -7.625 -4.282 3.841 65 HD3 PRO 12 2HD PRO 12 -9.022 -5.361 3.652 66 H TYR 13 H TYR 13 -6.411 -3.357 1.675 67 HA TYR 13 HA TYR 13 -5.673 -2.206 -0.925 68 HB2 TYR 13 1HB TYR 13 -4.880 -1.246 1.830 69 HB3 TYR 13 2HB TYR 13 -4.648 -0.397 0.306 70 HD1 TYR 13 HD2 TYR 13 -6.554 0.637 -0.843 71 HD2 TYR 13 HD1 TYR 13 -7.020 -1.265 2.935 72 HE1 TYR 13 HE2 TYR 13 -8.731 1.746 -0.560 73 HE2 TYR 13 HE1 TYR 13 -9.199 -0.162 3.227 74 HH TYR 13 HH TYR 13 -10.183 2.357 1.872 75 H ASN 14 H ASN 14 -3.663 -2.431 -1.769 76 HA ASN 14 HA ASN 14 -1.540 -3.620 -0.169 77 HB2 ASN 14 1HB ASN 14 -2.773 -5.533 -1.163 78 HB3 ASN 14 2HB ASN 14 -2.461 -4.873 -2.766 79 HD21 ASN 14 1HD2 ASN 14 -1.532 -7.211 -0.804 80 HD22 ASN 14 2HD2 ASN 14 0.138 -7.356 -1.224 81 H CYS 15 H CYS 15 0.475 -3.002 -0.793 82 HA CYS 15 HA CYS 15 0.616 -0.981 -2.888 83 HB2 CYS 15 1HB CYS 15 1.594 -0.606 -0.598 84 HB3 CYS 15 2HB CYS 15 2.790 -1.842 -0.974 85 H LYS 16 H LYS 16 0.832 -1.844 -4.866 86 HA LYS 16 HA LYS 16 2.158 -4.277 -5.433 87 HB2 LYS 16 1HB LYS 16 1.769 -3.789 -7.723 88 HB3 LYS 16 2HB LYS 16 0.387 -3.147 -6.845 89 HG2 LYS 16 1HG LYS 16 2.666 -1.322 -7.385 90 HG3 LYS 16 2HG LYS 16 1.608 -1.763 -8.728 91 HD2 LYS 16 1HD LYS 16 -0.335 -1.073 -7.291 92 HD3 LYS 16 2HD LYS 16 0.837 -0.432 -6.136 93 HE2 LYS 16 1HE LYS 16 1.478 1.278 -7.531 94 HE3 LYS 16 2HE LYS 16 1.029 0.398 -8.991 95 HZ1 LYS 16 3HZ LYS 16 -1.299 0.751 -8.442 96 HZ2 LYS 16 1HZ LYS 16 -0.484 2.228 -8.566 97 HZ3 LYS 16 2HZ LYS 16 -0.865 1.598 -7.044 98 H GLU 17 H GLU 17 3.227 -0.966 -5.234 99 HA GLU 17 HA GLU 17 5.571 -1.034 -6.702 100 HB2 GLU 17 1HB GLU 17 4.793 0.453 -4.209 101 HB3 GLU 17 2HB GLU 17 6.395 0.640 -4.907 102 HG2 GLU 17 1HG GLU 17 3.847 1.115 -6.430 103 HG3 GLU 17 2HG GLU 17 4.736 2.377 -5.578 104 H CYS 18 H CYS 18 5.246 -1.670 -3.205 105 HA CYS 18 HA CYS 18 7.814 -3.097 -3.301 106 HB2 CYS 18 1HB CYS 18 7.905 -2.786 -0.878 107 HB3 CYS 18 2HB CYS 18 7.678 -1.240 -1.690 108 H GLY 19 H GLY 19 4.479 -3.366 -2.129 109 HA2 GLY 19 1HA GLY 19 3.377 -5.530 -2.505 110 HA3 GLY 19 2HA GLY 19 4.878 -6.292 -2.000 111 H LYS 20 H LYS 20 3.530 -3.492 -0.393 112 HA LYS 20 HA LYS 20 3.364 -5.019 2.076 113 HB2 LYS 20 1HB LYS 20 3.397 -2.124 1.358 114 HB3 LYS 20 2HB LYS 20 2.651 -2.590 2.881 115 HG2 LYS 20 1HG LYS 20 4.853 -3.886 3.285 116 HG3 LYS 20 2HG LYS 20 5.501 -2.839 2.020 117 HD2 LYS 20 1HD LYS 20 5.123 -0.897 3.279 118 HD3 LYS 20 2HD LYS 20 4.012 -1.721 4.377 119 HE2 LYS 20 1HE LYS 20 6.907 -2.494 4.176 120 HE3 LYS 20 2HE LYS 20 6.367 -1.190 5.233 121 HZ1 LYS 20 3HZ LYS 20 5.476 -4.021 5.344 122 HZ2 LYS 20 1HZ LYS 20 4.873 -2.778 6.320 123 HZ3 LYS 20 2HZ LYS 20 6.492 -3.246 6.452 124 H SER 21 H SER 21 1.422 -4.037 3.534 125 HA SER 21 HA SER 21 -1.058 -4.124 1.972 126 HB2 SER 21 1HB SER 21 -2.049 -5.753 3.515 127 HB3 SER 21 2HB SER 21 -0.616 -6.427 2.738 128 HG SER 21 HG SER 21 -0.436 -6.882 4.889 129 H PHE 22 H PHE 22 -2.884 -3.220 3.031 130 HA PHE 22 HA PHE 22 -2.433 -1.858 5.568 131 HB2 PHE 22 1HB PHE 22 -3.247 -0.393 3.048 132 HB3 PHE 22 2HB PHE 22 -3.217 0.304 4.665 133 HD1 PHE 22 HD1 PHE 22 -1.049 0.605 5.833 134 HD2 PHE 22 HD2 PHE 22 -1.281 -0.595 1.756 135 HE1 PHE 22 HE1 PHE 22 1.307 1.241 5.515 136 HE2 PHE 22 HE2 PHE 22 1.074 0.038 1.431 137 HZ PHE 22 HZ PHE 22 2.372 0.956 3.312 138 H ARG 23 H ARG 23 -4.333 -1.293 6.667 139 HA ARG 23 HA ARG 23 -6.606 -2.918 5.997 140 HB2 ARG 23 1HB ARG 23 -6.234 -0.903 8.222 141 HB3 ARG 23 2HB ARG 23 -7.560 -2.050 8.093 142 HG2 ARG 23 1HG ARG 23 -5.630 -3.815 8.029 143 HG3 ARG 23 2HG ARG 23 -4.708 -2.521 8.798 144 HD2 ARG 23 1HD ARG 23 -7.372 -3.507 9.800 145 HD3 ARG 23 2HD ARG 23 -5.823 -4.119 10.378 146 HE ARG 23 HE ARG 23 -5.589 -1.453 10.732 147 HH11 ARG 23 1HH1 ARG 23 -8.023 -3.769 11.645 148 HH12 ARG 23 2HH1 ARG 23 -8.496 -2.905 13.071 149 HH21 ARG 23 1HH2 ARG 23 -6.202 -0.307 12.607 150 HH22 ARG 23 2HH2 ARG 23 -7.459 -0.936 13.617 151 H TRP 24 H TRP 24 -5.925 0.556 6.163 152 HA TRP 24 HA TRP 24 -8.497 1.061 4.821 153 HB2 TRP 24 1HB TRP 24 -6.828 2.704 6.696 154 HB3 TRP 24 2HB TRP 24 -7.941 3.496 5.584 155 HD1 TRP 24 HD1 TRP 24 -7.914 2.605 9.002 156 HE1 TRP 24 HE1 TRP 24 -10.257 2.065 9.922 157 HE3 TRP 24 HE3 TRP 24 -10.383 1.907 4.580 158 HZ2 TRP 24 HZ2 TRP 24 -12.812 1.427 8.908 159 HZ3 TRP 24 HZ3 TRP 24 -12.775 1.334 4.642 160 HH2 TRP 24 HH2 TRP 24 -13.963 1.099 6.763 161 H ALA 25 H ALA 25 -8.378 3.156 3.442 162 HA ALA 25 HA ALA 25 -6.478 2.665 1.360 163 HB1 ALA 25 3HB ALA 25 -8.968 3.941 1.571 164 HB2 ALA 25 1HB ALA 25 -7.825 5.175 1.039 165 HB3 ALA 25 2HB ALA 25 -8.006 3.683 0.115 166 H SER 26 H SER 26 -7.099 5.480 3.463 167 HA SER 26 HA SER 26 -5.106 7.161 2.676 168 HB2 SER 26 1HB SER 26 -5.087 8.050 4.983 169 HB3 SER 26 2HB SER 26 -6.729 7.753 4.410 170 HG SER 26 HG SER 26 -5.422 6.669 6.519 171 H CYS 27 H CYS 27 -4.774 4.618 5.150 172 HA CYS 27 HA CYS 27 -2.178 4.908 5.892 173 HB2 CYS 27 1HB CYS 27 -3.681 2.346 5.339 174 HB3 CYS 27 2HB CYS 27 -2.116 2.398 6.141 175 HG CYS 27 HG CYS 27 -4.576 2.116 7.805 176 H LEU 28 H LEU 28 -3.303 3.137 3.021 177 HA LEU 28 HA LEU 28 -0.760 2.381 2.094 178 HB2 LEU 28 1HB LEU 28 -2.582 1.234 1.183 179 HB3 LEU 28 2HB LEU 28 -3.428 2.725 0.773 180 HG LEU 28 HG LEU 28 -1.857 3.136 -1.042 181 HD11 LEU 28 1HD1 LEU 28 0.108 2.114 -1.248 182 HD12 LEU 28 2HD1 LEU 28 -0.617 0.517 -1.065 183 HD13 LEU 28 3HD1 LEU 28 -0.172 1.452 0.362 184 HD21 LEU 28 3HD2 LEU 28 -3.390 0.592 -0.894 185 HD22 LEU 28 1HD2 LEU 28 -2.353 0.866 -2.294 186 HD23 LEU 28 2HD2 LEU 28 -3.642 2.009 -1.915 187 H LEU 29 H LEU 29 -2.804 5.170 1.282 188 HA LEU 29 HA LEU 29 -1.198 6.316 -0.673 189 HB2 LEU 29 1HB LEU 29 -3.325 7.230 -0.424 190 HB3 LEU 29 2HB LEU 29 -3.131 7.446 1.314 191 HG LEU 29 HG LEU 29 -1.440 9.246 0.775 192 HD11 LEU 29 1HD1 LEU 29 -1.336 10.169 -1.389 193 HD12 LEU 29 2HD1 LEU 29 -2.695 9.199 -1.955 194 HD13 LEU 29 3HD1 LEU 29 -1.148 8.429 -1.604 195 HD21 LEU 29 3HD2 LEU 29 -3.702 9.755 1.519 196 HD22 LEU 29 1HD2 LEU 29 -4.287 9.642 -0.141 197 HD23 LEU 29 2HD2 LEU 29 -3.162 10.923 0.312 198 H LYS 30 H LYS 30 -1.210 6.965 2.828 199 HA LYS 30 HA LYS 30 0.806 8.852 2.930 200 HB2 LYS 30 1HB LYS 30 -0.267 6.838 4.840 201 HB3 LYS 30 2HB LYS 30 1.265 7.601 5.247 202 HG2 LYS 30 1HG LYS 30 -0.264 8.972 6.288 203 HG3 LYS 30 2HG LYS 30 0.012 9.814 4.762 204 HD2 LYS 30 1HD LYS 30 -2.055 9.244 3.919 205 HD3 LYS 30 2HD LYS 30 -2.193 7.811 4.941 206 HE2 LYS 30 1HE LYS 30 -2.258 10.620 6.023 207 HE3 LYS 30 2HE LYS 30 -3.708 9.745 5.531 208 HZ1 LYS 30 3HZ LYS 30 -3.333 8.115 7.188 209 HZ2 LYS 30 1HZ LYS 30 -3.165 9.618 7.947 210 HZ3 LYS 30 2HZ LYS 30 -1.792 8.715 7.546 211 H HIS 31 H HIS 31 1.037 5.375 2.592 212 HA HIS 31 HA HIS 31 3.883 5.297 3.016 213 HB2 HIS 31 1HB HIS 31 2.773 3.305 3.605 214 HB3 HIS 31 2HB HIS 31 1.841 3.279 2.111 215 HD1 HIS 31 HD1 HIS 31 5.464 2.912 3.208 216 HD2 HIS 31 HD2 HIS 31 2.878 1.648 0.212 217 HE1 HIS 31 HE1 HIS 31 6.782 1.275 1.829 218 H GLN 32 H GLN 32 1.706 5.166 0.227 219 HA GLN 32 HA GLN 32 3.436 4.595 -1.810 220 HB2 GLN 32 1HB GLN 32 1.158 6.575 -1.768 221 HB3 GLN 32 2HB GLN 32 1.985 6.080 -3.239 222 HG2 GLN 32 1HG GLN 32 1.381 3.679 -2.445 223 HG3 GLN 32 2HG GLN 32 0.176 4.511 -1.464 224 HE21 GLN 32 1HE2 GLN 32 -1.655 5.201 -2.393 225 HE22 GLN 32 2HE2 GLN 32 -2.012 5.075 -4.079 226 H ARG 33 H ARG 33 3.353 7.436 0.147 227 HA ARG 33 HA ARG 33 4.513 9.364 -1.431 228 HB2 ARG 33 1HB ARG 33 4.647 8.741 1.485 229 HB3 ARG 33 2HB ARG 33 5.732 9.966 0.841 230 HG2 ARG 33 1HG ARG 33 3.710 11.104 -0.121 231 HG3 ARG 33 2HG ARG 33 2.727 9.968 0.806 232 HD2 ARG 33 1HD ARG 33 2.862 11.842 2.186 233 HD3 ARG 33 2HD ARG 33 4.089 10.754 2.833 234 HE ARG 33 HE ARG 33 5.178 12.542 0.902 235 HH11 ARG 33 1HH1 ARG 33 4.141 12.307 4.217 236 HH12 ARG 33 2HH1 ARG 33 5.187 13.572 4.770 237 HH21 ARG 33 1HH2 ARG 33 6.560 14.209 1.618 238 HH22 ARG 33 2HH2 ARG 33 6.562 14.654 3.291 239 H VAL 34 H VAL 34 6.148 6.793 0.391 240 HA VAL 34 HA VAL 34 8.783 7.527 -0.221 241 HB VAL 34 HB VAL 34 9.440 5.315 0.437 242 HG11 VAL 34 1HG1 VAL 34 7.741 5.072 2.489 243 HG12 VAL 34 2HG1 VAL 34 8.980 6.327 2.412 244 HG13 VAL 34 3HG1 VAL 34 7.316 6.700 1.959 245 HG21 VAL 34 3HG2 VAL 34 6.797 4.613 -0.570 246 HG22 VAL 34 1HG2 VAL 34 8.245 3.621 -0.399 247 HG23 VAL 34 2HG2 VAL 34 7.170 3.858 0.979 248 H HIS 35 H HIS 35 6.382 5.778 -2.052 249 HA HIS 35 HA HIS 35 8.306 4.934 -4.059 250 HB2 HIS 35 1HB HIS 35 5.308 4.600 -3.863 251 HB3 HIS 35 2HB HIS 35 6.282 3.982 -5.194 252 HD1 HIS 35 HD1 HIS 35 8.443 2.442 -4.117 253 HD2 HIS 35 HD2 HIS 35 4.834 2.653 -2.069 254 HE1 HIS 35 HE1 HIS 35 8.415 0.439 -2.598 255 H SER 36 H SER 36 6.258 7.591 -3.432 256 HA SER 36 HA SER 36 6.682 8.572 -6.178 257 HB2 SER 36 1HB SER 36 4.542 9.791 -6.001 258 HB3 SER 36 2HB SER 36 4.310 8.050 -5.851 259 HG SER 36 HG SER 36 4.619 8.716 -3.436 260 H GLY 37 H GLY 37 8.559 9.684 -5.591 261 HA2 GLY 37 1HA GLY 37 8.043 12.122 -4.022 262 HA3 GLY 37 2HA GLY 37 9.457 11.141 -3.663 263 H GLU 38 H GLU 38 11.074 12.495 -4.239 264 HA GLU 38 HA GLU 38 11.025 13.571 -6.979 265 HB2 GLU 38 1HB GLU 38 12.610 15.258 -6.222 266 HB3 GLU 38 2HB GLU 38 11.170 15.276 -5.213 267 HG2 GLU 38 1HG GLU 38 12.271 14.454 -3.380 268 HG3 GLU 38 2HG GLU 38 13.513 13.660 -4.346 269 H LYS 39 H LYS 39 11.697 10.905 -6.638 270 HA LYS 39 HA LYS 39 14.526 10.956 -7.416 271 HB2 LYS 39 1HB LYS 39 13.242 9.096 -5.421 272 HB3 LYS 39 2HB LYS 39 14.753 8.708 -6.234 273 HG2 LYS 39 1HG LYS 39 15.929 10.348 -5.125 274 HG3 LYS 39 2HG LYS 39 14.483 11.300 -4.782 275 HD2 LYS 39 1HD LYS 39 13.790 9.795 -3.083 276 HD3 LYS 39 2HD LYS 39 14.988 8.592 -3.566 277 HE2 LYS 39 1HE LYS 39 15.759 11.327 -2.585 278 HE3 LYS 39 2HE LYS 39 15.498 9.973 -1.487 279 HZ1 LYS 39 3HZ LYS 39 17.306 8.827 -2.344 280 HZ2 LYS 39 1HZ LYS 39 17.859 10.426 -2.314 281 HZ3 LYS 39 2HZ LYS 39 17.351 9.734 -3.771 282 HA PRO 40 HA PRO 40 13.193 8.562 -10.852 283 HB2 PRO 40 1HB PRO 40 15.493 7.244 -11.437 284 HB3 PRO 40 2HB PRO 40 15.264 8.966 -11.762 285 HG2 PRO 40 1HG PRO 40 16.672 7.640 -9.477 286 HG3 PRO 40 2HG PRO 40 17.165 9.055 -10.426 287 HD2 PRO 40 1HD PRO 40 16.029 9.268 -7.978 288 HD3 PRO 40 2HD PRO 40 15.787 10.481 -9.251 289 H SER 41 H SER 41 11.733 7.022 -10.303 290 HA SER 41 HA SER 41 11.830 5.015 -8.497 291 HB2 SER 41 1HB SER 41 10.693 4.614 -11.270 292 HB3 SER 41 2HB SER 41 10.163 3.845 -9.774 293 HG SER 41 HG SER 41 9.888 6.263 -9.167 294 H GLY 42 H GLY 42 12.228 2.704 -8.645 295 HA2 GLY 42 1HA GLY 42 14.694 2.179 -10.141 296 HA3 GLY 42 2HA GLY 42 14.104 1.256 -8.767 297 HA PRO 43 HA PRO 43 12.694 -1.795 -11.595 298 HB2 PRO 43 1HB PRO 43 10.839 -3.017 -10.034 299 HB3 PRO 43 2HB PRO 43 12.578 -3.207 -9.786 300 HG2 PRO 43 1HG PRO 43 10.644 -1.427 -8.354 301 HG3 PRO 43 2HG PRO 43 11.953 -2.421 -7.689 302 HD2 PRO 43 1HD PRO 43 12.202 0.248 -8.076 303 HD3 PRO 43 2HD PRO 43 13.572 -0.871 -8.226 304 H SER 44 H SER 44 11.517 -1.194 -13.307 305 HA SER 44 HA SER 44 8.821 -0.103 -12.857 306 HB2 SER 44 1HB SER 44 10.892 0.354 -14.957 307 HB3 SER 44 2HB SER 44 9.196 0.482 -15.424 308 HG SER 44 HG SER 44 9.242 2.384 -14.558 309 H SER 45 H SER 45 7.704 -2.036 -12.655 310 HA SER 45 HA SER 45 7.218 -3.422 -15.169 311 HB2 SER 45 1HB SER 45 9.033 -4.608 -13.678 312 HB3 SER 45 2HB SER 45 7.632 -5.139 -12.749 313 HG SER 45 HG SER 45 8.251 -5.660 -15.457 314 H GLY 46 H GLY 46 5.176 -4.338 -15.326 315 HA2 GLY 46 1HA GLY 46 3.025 -4.919 -14.643 316 HA3 GLY 46 2HA GLY 46 3.438 -4.424 -13.008 Start of MODEL 6 1 H1 GLY 1 1H GLY 1 6.555 -25.905 1.628 2 HA2 GLY 1 1HA GLY 1 5.614 -28.668 1.698 3 HA3 GLY 1 2HA GLY 1 7.269 -28.386 2.218 4 H SER 2 H SER 2 7.638 -27.756 4.263 5 HA SER 2 HA SER 2 5.397 -27.675 6.074 6 HB2 SER 2 1HB SER 2 7.035 -27.699 7.836 7 HB3 SER 2 2HB SER 2 7.571 -28.829 6.593 8 HG SER 2 HG SER 2 8.700 -26.707 5.836 9 H SER 3 H SER 3 5.242 -25.550 4.319 10 HA SER 3 HA SER 3 5.553 -23.294 6.164 11 HB2 SER 3 1HB SER 3 6.545 -23.417 3.320 12 HB3 SER 3 2HB SER 3 6.178 -21.883 4.108 13 HG SER 3 HG SER 3 8.219 -23.720 4.633 14 H GLY 4 H GLY 4 4.242 -21.386 5.470 15 HA2 GLY 4 1HA GLY 4 2.430 -20.549 4.086 16 HA3 GLY 4 2HA GLY 4 1.879 -22.208 3.905 17 H SER 5 H SER 5 0.925 -19.470 5.177 18 HA SER 5 HA SER 5 -0.234 -20.744 7.569 19 HB2 SER 5 1HB SER 5 0.851 -17.971 7.179 20 HB3 SER 5 2HB SER 5 -0.405 -18.269 8.381 21 HG SER 5 HG SER 5 1.223 -20.116 8.916 22 H SER 6 H SER 6 -2.323 -21.110 7.288 23 HA SER 6 HA SER 6 -3.842 -19.580 5.343 24 HB2 SER 6 1HB SER 6 -4.148 -21.990 5.355 25 HB3 SER 6 2HB SER 6 -4.597 -21.957 7.060 26 HG SER 6 HG SER 6 -6.066 -20.347 5.330 27 H GLY 7 H GLY 7 -4.918 -17.805 5.871 28 HA2 GLY 7 1HA GLY 7 -6.197 -16.307 7.056 29 HA3 GLY 7 2HA GLY 7 -6.633 -17.635 8.121 30 H THR 8 H THR 8 -4.230 -15.140 7.495 31 HA THR 8 HA THR 8 -3.474 -15.272 10.340 32 HB THR 8 HB THR 8 -1.589 -16.082 9.076 33 HG1 THR 8 HG1 THR 8 -0.910 -13.389 9.604 34 HG21 THR 8 3HG2 THR 8 -0.495 -14.610 7.377 35 HG22 THR 8 1HG2 THR 8 -1.912 -13.563 7.444 36 HG23 THR 8 2HG2 THR 8 -2.071 -15.228 6.884 37 H GLY 9 H GLY 9 -4.398 -13.348 7.624 38 HA2 GLY 9 1HA GLY 9 -5.463 -11.223 8.844 39 HA3 GLY 9 2HA GLY 9 -3.752 -10.833 8.936 40 H GLU 10 H GLU 10 -6.493 -11.270 6.814 41 HA GLU 10 HA GLU 10 -4.971 -10.509 4.462 42 HB2 GLU 10 1HB GLU 10 -6.862 -12.208 4.463 43 HB3 GLU 10 2HB GLU 10 -7.961 -10.850 4.664 44 HG2 GLU 10 1HG GLU 10 -8.019 -11.106 2.401 45 HG3 GLU 10 2HG GLU 10 -6.721 -9.923 2.557 46 H LYS 11 H LYS 11 -5.429 -8.654 3.191 47 HA LYS 11 HA LYS 11 -6.943 -6.517 4.504 48 HB2 LYS 11 1HB LYS 11 -4.057 -6.382 3.647 49 HB3 LYS 11 2HB LYS 11 -5.042 -4.938 3.835 50 HG2 LYS 11 1HG LYS 11 -5.397 -5.437 6.171 51 HG3 LYS 11 2HG LYS 11 -4.517 -6.958 6.006 52 HD2 LYS 11 1HD LYS 11 -2.466 -5.842 5.638 53 HD3 LYS 11 2HD LYS 11 -3.270 -4.292 5.379 54 HE2 LYS 11 1HE LYS 11 -4.115 -4.621 7.812 55 HE3 LYS 11 2HE LYS 11 -2.791 -5.779 7.933 56 HZ1 LYS 11 3HZ LYS 11 -2.506 -2.927 7.152 57 HZ2 LYS 11 1HZ LYS 11 -1.244 -4.042 7.319 58 HZ3 LYS 11 2HZ LYS 11 -2.137 -3.566 8.674 59 HA PRO 12 HA PRO 12 -8.466 -5.826 0.432 60 HB2 PRO 12 1HB PRO 12 -9.331 -3.269 0.721 61 HB3 PRO 12 2HB PRO 12 -10.171 -4.653 1.430 62 HG2 PRO 12 1HG PRO 12 -8.271 -2.729 2.715 63 HG3 PRO 12 2HG PRO 12 -9.795 -3.384 3.342 64 HD2 PRO 12 1HD PRO 12 -7.377 -4.343 4.095 65 HD3 PRO 12 2HD PRO 12 -8.821 -5.371 3.987 66 H TYR 13 H TYR 13 -6.450 -3.248 1.829 67 HA TYR 13 HA TYR 13 -5.611 -2.408 -0.830 68 HB2 TYR 13 1HB TYR 13 -4.687 -1.294 1.819 69 HB3 TYR 13 2HB TYR 13 -4.595 -0.525 0.238 70 HD1 TYR 13 HD2 TYR 13 -6.602 0.425 -0.800 71 HD2 TYR 13 HD1 TYR 13 -6.735 -1.289 3.092 72 HE1 TYR 13 HE2 TYR 13 -8.769 1.518 -0.399 73 HE2 TYR 13 HE1 TYR 13 -8.902 -0.202 3.503 74 HH TYR 13 HH TYR 13 -10.848 0.933 1.242 75 H ASN 14 H ASN 14 -3.695 -2.867 -1.736 76 HA ASN 14 HA ASN 14 -1.527 -3.927 -0.092 77 HB2 ASN 14 1HB ASN 14 -1.230 -5.708 -1.987 78 HB3 ASN 14 2HB ASN 14 -2.383 -6.000 -0.688 79 HD21 ASN 14 1HD2 ASN 14 -3.859 -7.218 -1.697 80 HD22 ASN 14 2HD2 ASN 14 -4.767 -6.721 -3.081 81 H CYS 15 H CYS 15 0.146 -2.669 -0.550 82 HA CYS 15 HA CYS 15 0.351 -1.102 -2.898 83 HB2 CYS 15 1HB CYS 15 1.384 -0.583 -0.650 84 HB3 CYS 15 2HB CYS 15 2.602 -1.802 -1.010 85 H LYS 16 H LYS 16 0.960 -1.700 -4.859 86 HA LYS 16 HA LYS 16 2.167 -4.287 -5.302 87 HB2 LYS 16 1HB LYS 16 1.799 -3.881 -7.634 88 HB3 LYS 16 2HB LYS 16 0.368 -3.341 -6.765 89 HG2 LYS 16 1HG LYS 16 0.805 -1.111 -7.160 90 HG3 LYS 16 2HG LYS 16 2.528 -1.389 -7.425 91 HD2 LYS 16 1HD LYS 16 1.863 -1.078 -9.587 92 HD3 LYS 16 2HD LYS 16 1.607 -2.820 -9.457 93 HE2 LYS 16 1HE LYS 16 -0.725 -2.540 -9.134 94 HE3 LYS 16 2HE LYS 16 -0.552 -0.803 -8.883 95 HZ1 LYS 16 3HZ LYS 16 -0.870 -0.514 -11.040 96 HZ2 LYS 16 1HZ LYS 16 -0.982 -2.183 -11.288 97 HZ3 LYS 16 2HZ LYS 16 0.521 -1.413 -11.385 98 H GLU 17 H GLU 17 3.144 -0.936 -5.312 99 HA GLU 17 HA GLU 17 5.452 -0.950 -6.787 100 HB2 GLU 17 1HB GLU 17 4.667 0.496 -4.284 101 HB3 GLU 17 2HB GLU 17 6.297 0.679 -4.917 102 HG2 GLU 17 1HG GLU 17 3.971 1.085 -6.733 103 HG3 GLU 17 2HG GLU 17 4.416 2.350 -5.589 104 H CYS 18 H CYS 18 5.279 -1.631 -3.288 105 HA CYS 18 HA CYS 18 7.861 -3.018 -3.506 106 HB2 CYS 18 1HB CYS 18 7.840 -2.830 -0.975 107 HB3 CYS 18 2HB CYS 18 7.977 -1.312 -1.856 108 H GLY 19 H GLY 19 4.562 -3.365 -2.280 109 HA2 GLY 19 1HA GLY 19 3.503 -5.550 -2.633 110 HA3 GLY 19 2HA GLY 19 5.028 -6.280 -2.153 111 H LYS 20 H LYS 20 3.442 -3.548 -0.587 112 HA LYS 20 HA LYS 20 3.385 -5.091 1.899 113 HB2 LYS 20 1HB LYS 20 3.327 -2.161 1.256 114 HB3 LYS 20 2HB LYS 20 2.772 -2.732 2.824 115 HG2 LYS 20 1HG LYS 20 4.923 -3.673 3.309 116 HG3 LYS 20 2HG LYS 20 5.495 -3.314 1.679 117 HD2 LYS 20 1HD LYS 20 5.690 -1.061 2.098 118 HD3 LYS 20 2HD LYS 20 4.467 -1.083 3.371 119 HE2 LYS 20 1HE LYS 20 5.953 -1.922 4.953 120 HE3 LYS 20 2HE LYS 20 7.067 -2.525 3.727 121 HZ1 LYS 20 3HZ LYS 20 6.847 0.243 3.413 122 HZ2 LYS 20 1HZ LYS 20 8.201 -0.649 3.897 123 HZ3 LYS 20 2HZ LYS 20 7.118 -0.061 5.055 124 H SER 21 H SER 21 1.464 -4.180 3.387 125 HA SER 21 HA SER 21 -1.024 -4.215 1.828 126 HB2 SER 21 1HB SER 21 -0.505 -5.929 4.269 127 HB3 SER 21 2HB SER 21 -2.021 -5.834 3.374 128 HG SER 21 HG SER 21 0.424 -6.607 2.173 129 H PHE 22 H PHE 22 -2.869 -3.362 2.946 130 HA PHE 22 HA PHE 22 -2.427 -2.006 5.473 131 HB2 PHE 22 1HB PHE 22 -3.125 -0.469 2.961 132 HB3 PHE 22 2HB PHE 22 -3.115 0.196 4.591 133 HD1 PHE 22 HD1 PHE 22 -0.976 0.430 5.814 134 HD2 PHE 22 HD2 PHE 22 -1.126 -0.735 1.722 135 HE1 PHE 22 HE1 PHE 22 1.406 0.995 5.569 136 HE2 PHE 22 HE2 PHE 22 1.256 -0.172 1.472 137 HZ PHE 22 HZ PHE 22 2.525 0.694 3.396 138 H ARG 23 H ARG 23 -4.348 -1.364 6.511 139 HA ARG 23 HA ARG 23 -6.750 -2.649 5.413 140 HB2 ARG 23 1HB ARG 23 -5.702 -3.188 7.757 141 HB3 ARG 23 2HB ARG 23 -6.530 -1.716 8.249 142 HG2 ARG 23 1HG ARG 23 -8.656 -2.633 7.645 143 HG3 ARG 23 2HG ARG 23 -7.890 -4.050 6.925 144 HD2 ARG 23 1HD ARG 23 -7.345 -4.961 8.973 145 HD3 ARG 23 2HD ARG 23 -7.375 -3.400 9.791 146 HE ARG 23 HE ARG 23 -9.634 -3.649 10.134 147 HH11 ARG 23 1HH1 ARG 23 -8.520 -6.046 7.868 148 HH12 ARG 23 2HH1 ARG 23 -10.003 -6.941 7.886 149 HH21 ARG 23 1HH2 ARG 23 -11.591 -4.819 10.166 150 HH22 ARG 23 2HH2 ARG 23 -11.750 -6.242 9.193 151 H TRP 24 H TRP 24 -5.976 -0.110 4.436 152 HA TRP 24 HA TRP 24 -8.405 1.312 4.759 153 HB2 TRP 24 1HB TRP 24 -6.030 2.213 6.329 154 HB3 TRP 24 2HB TRP 24 -7.067 3.438 5.603 155 HD1 TRP 24 HD1 TRP 24 -6.693 1.610 8.715 156 HE1 TRP 24 HE1 TRP 24 -8.862 1.650 10.102 157 HE3 TRP 24 HE3 TRP 24 -9.937 3.210 5.103 158 HZ2 TRP 24 HZ2 TRP 24 -11.587 2.277 9.715 159 HZ3 TRP 24 HZ3 TRP 24 -12.308 3.504 5.693 160 HH2 TRP 24 HH2 TRP 24 -13.114 3.046 7.951 161 H ALA 25 H ALA 25 -8.231 3.541 3.652 162 HA ALA 25 HA ALA 25 -6.780 3.126 1.163 163 HB1 ALA 25 3HB ALA 25 -8.521 4.134 0.227 164 HB2 ALA 25 1HB ALA 25 -9.266 4.239 1.822 165 HB3 ALA 25 2HB ALA 25 -8.280 5.572 1.219 166 H SER 26 H SER 26 -7.007 5.523 3.762 167 HA SER 26 HA SER 26 -5.108 7.314 2.631 168 HB2 SER 26 1HB SER 26 -5.152 8.426 4.810 169 HB3 SER 26 2HB SER 26 -6.791 8.024 4.298 170 HG SER 26 HG SER 26 -5.189 6.607 6.164 171 H CYS 27 H CYS 27 -4.901 4.880 5.215 172 HA CYS 27 HA CYS 27 -2.321 5.194 6.044 173 HB2 CYS 27 1HB CYS 27 -4.133 3.446 6.725 174 HB3 CYS 27 2HB CYS 27 -3.356 2.427 5.519 175 HG CYS 27 HG CYS 27 -0.865 2.433 6.771 176 H LEU 28 H LEU 28 -3.402 3.311 3.232 177 HA LEU 28 HA LEU 28 -0.823 2.476 2.437 178 HB2 LEU 28 1HB LEU 28 -2.536 1.212 1.537 179 HB3 LEU 28 2HB LEU 28 -3.496 2.629 1.116 180 HG LEU 28 HG LEU 28 -1.952 3.105 -0.737 181 HD11 LEU 28 1HD1 LEU 28 -0.398 1.025 0.580 182 HD12 LEU 28 2HD1 LEU 28 0.111 2.280 -0.550 183 HD13 LEU 28 3HD1 LEU 28 -0.571 0.771 -1.157 184 HD21 LEU 28 3HD2 LEU 28 -3.981 1.680 -1.020 185 HD22 LEU 28 1HD2 LEU 28 -2.947 0.263 -0.837 186 HD23 LEU 28 2HD2 LEU 28 -2.702 1.362 -2.194 187 H LEU 29 H LEU 29 -2.861 5.203 1.447 188 HA LEU 29 HA LEU 29 -1.304 6.217 -0.608 189 HB2 LEU 29 1HB LEU 29 -3.113 7.519 1.395 190 HB3 LEU 29 2HB LEU 29 -2.257 8.476 0.188 191 HG LEU 29 HG LEU 29 -4.219 6.264 -0.416 192 HD11 LEU 29 1HD1 LEU 29 -4.594 9.045 0.252 193 HD12 LEU 29 2HD1 LEU 29 -5.791 7.777 -0.005 194 HD13 LEU 29 3HD1 LEU 29 -5.171 8.695 -1.377 195 HD21 LEU 29 3HD2 LEU 29 -4.081 7.480 -2.704 196 HD22 LEU 29 1HD2 LEU 29 -2.821 6.328 -2.257 197 HD23 LEU 29 2HD2 LEU 29 -2.526 8.060 -2.105 198 H LYS 30 H LYS 30 -1.265 7.320 2.787 199 HA LYS 30 HA LYS 30 0.824 9.069 2.708 200 HB2 LYS 30 1HB LYS 30 -0.553 8.565 4.713 201 HB3 LYS 30 2HB LYS 30 0.337 7.061 4.916 202 HG2 LYS 30 1HG LYS 30 1.865 9.608 4.783 203 HG3 LYS 30 2HG LYS 30 0.977 9.224 6.259 204 HD2 LYS 30 1HD LYS 30 2.695 7.111 5.058 205 HD3 LYS 30 2HD LYS 30 3.482 8.448 5.901 206 HE2 LYS 30 1HE LYS 30 2.222 7.975 7.907 207 HE3 LYS 30 2HE LYS 30 1.301 6.725 7.072 208 HZ1 LYS 30 3HZ LYS 30 4.065 6.664 8.038 209 HZ2 LYS 30 1HZ LYS 30 3.685 5.767 6.655 210 HZ3 LYS 30 2HZ LYS 30 2.873 5.467 8.107 211 H HIS 31 H HIS 31 0.990 5.560 2.731 212 HA HIS 31 HA HIS 31 3.818 5.418 3.096 213 HB2 HIS 31 1HB HIS 31 2.778 3.444 3.716 214 HB3 HIS 31 2HB HIS 31 1.666 3.478 2.351 215 HD1 HIS 31 HD1 HIS 31 5.332 2.812 3.065 216 HD2 HIS 31 HD2 HIS 31 2.407 1.904 0.258 217 HE1 HIS 31 HE1 HIS 31 6.388 1.140 1.512 218 H GLN 32 H GLN 32 1.672 5.226 0.280 219 HA GLN 32 HA GLN 32 3.395 4.557 -1.719 220 HB2 GLN 32 1HB GLN 32 1.194 6.621 -1.745 221 HB3 GLN 32 2HB GLN 32 2.024 6.082 -3.198 222 HG2 GLN 32 1HG GLN 32 1.187 3.887 -2.981 223 HG3 GLN 32 2HG GLN 32 0.624 4.188 -1.338 224 HE21 GLN 32 1HE2 GLN 32 -1.289 3.187 -2.583 225 HE22 GLN 32 2HE2 GLN 32 -2.413 4.320 -3.245 226 H ARG 33 H ARG 33 3.457 7.418 0.189 227 HA ARG 33 HA ARG 33 4.734 9.236 -1.469 228 HB2 ARG 33 1HB ARG 33 4.848 8.771 1.498 229 HB3 ARG 33 2HB ARG 33 5.807 10.038 0.744 230 HG2 ARG 33 1HG ARG 33 3.841 11.144 -0.051 231 HG3 ARG 33 2HG ARG 33 2.820 9.805 0.477 232 HD2 ARG 33 1HD ARG 33 3.112 10.320 2.736 233 HD3 ARG 33 2HD ARG 33 4.542 11.302 2.421 234 HE ARG 33 HE ARG 33 2.436 12.535 1.118 235 HH11 ARG 33 1HH1 ARG 33 3.300 11.703 4.387 236 HH12 ARG 33 2HH1 ARG 33 2.439 13.032 5.091 237 HH21 ARG 33 1HH2 ARG 33 1.300 14.288 2.033 238 HH22 ARG 33 2HH2 ARG 33 1.301 14.501 3.751 239 H VAL 34 H VAL 34 6.133 6.662 0.524 240 HA VAL 34 HA VAL 34 8.821 7.189 0.228 241 HB VAL 34 HB VAL 34 9.210 4.760 0.481 242 HG11 VAL 34 1HG1 VAL 34 8.988 5.395 2.609 243 HG12 VAL 34 2HG1 VAL 34 7.608 6.432 2.242 244 HG13 VAL 34 3HG1 VAL 34 7.366 4.708 2.529 245 HG21 VAL 34 3HG2 VAL 34 6.715 4.539 -0.756 246 HG22 VAL 34 1HG2 VAL 34 7.706 3.231 -0.109 247 HG23 VAL 34 2HG2 VAL 34 6.467 3.979 0.898 248 H HIS 35 H HIS 35 6.572 5.957 -2.120 249 HA HIS 35 HA HIS 35 8.706 5.247 -3.978 250 HB2 HIS 35 1HB HIS 35 5.701 5.062 -4.285 251 HB3 HIS 35 2HB HIS 35 6.888 4.438 -5.427 252 HD1 HIS 35 HD1 HIS 35 8.585 2.578 -4.257 253 HD2 HIS 35 HD2 HIS 35 4.872 3.210 -2.503 254 HE1 HIS 35 HE1 HIS 35 8.162 0.551 -2.829 255 H SER 36 H SER 36 6.710 7.892 -3.211 256 HA SER 36 HA SER 36 7.489 9.217 -5.722 257 HB2 SER 36 1HB SER 36 5.076 8.689 -5.770 258 HB3 SER 36 2HB SER 36 4.859 9.581 -4.264 259 HG SER 36 HG SER 36 5.877 10.698 -6.667 260 H GLY 37 H GLY 37 8.866 10.802 -5.291 261 HA2 GLY 37 1HA GLY 37 9.619 12.796 -4.374 262 HA3 GLY 37 2HA GLY 37 8.265 12.758 -3.255 263 H GLU 38 H GLU 38 10.114 9.889 -3.403 264 HA GLU 38 HA GLU 38 11.769 10.704 -1.124 265 HB2 GLU 38 1HB GLU 38 9.713 8.534 -1.178 266 HB3 GLU 38 2HB GLU 38 11.169 8.302 -0.219 267 HG2 GLU 38 1HG GLU 38 9.427 10.729 0.062 268 HG3 GLU 38 2HG GLU 38 9.147 9.246 0.972 269 H LYS 39 H LYS 39 13.245 8.718 -0.524 270 HA LYS 39 HA LYS 39 14.112 7.319 -2.948 271 HB2 LYS 39 1HB LYS 39 15.845 9.073 -1.208 272 HB3 LYS 39 2HB LYS 39 16.505 7.869 -2.307 273 HG2 LYS 39 1HG LYS 39 15.392 9.017 -4.184 274 HG3 LYS 39 2HG LYS 39 14.828 10.256 -3.059 275 HD2 LYS 39 1HD LYS 39 16.760 11.177 -4.004 276 HD3 LYS 39 2HD LYS 39 17.301 10.549 -2.445 277 HE2 LYS 39 1HE LYS 39 18.897 9.974 -4.174 278 HE3 LYS 39 2HE LYS 39 18.112 8.517 -3.567 279 HZ1 LYS 39 3HZ LYS 39 17.204 8.095 -5.549 280 HZ2 LYS 39 1HZ LYS 39 18.353 9.171 -6.169 281 HZ3 LYS 39 2HZ LYS 39 16.786 9.710 -5.830 282 HA PRO 40 HA PRO 40 14.515 3.891 -0.221 283 HB2 PRO 40 1HB PRO 40 16.292 2.398 -1.629 284 HB3 PRO 40 2HB PRO 40 14.601 2.584 -2.109 285 HG2 PRO 40 1HG PRO 40 17.029 4.001 -3.138 286 HG3 PRO 40 2HG PRO 40 15.655 3.335 -4.041 287 HD2 PRO 40 1HD PRO 40 15.886 5.973 -3.475 288 HD3 PRO 40 2HD PRO 40 14.314 5.154 -3.588 289 H SER 41 H SER 41 16.854 6.186 -0.621 290 HA SER 41 HA SER 41 18.688 6.773 0.594 291 HB2 SER 41 1HB SER 41 18.858 6.047 2.777 292 HB3 SER 41 2HB SER 41 17.191 5.586 2.432 293 HG SER 41 HG SER 41 17.731 3.557 2.583 294 H GLY 42 H GLY 42 18.910 5.091 -1.713 295 HA2 GLY 42 1HA GLY 42 21.187 4.550 -2.507 296 HA3 GLY 42 2HA GLY 42 21.384 3.627 -1.024 297 HA PRO 43 HA PRO 43 20.136 0.712 -4.411 298 HB2 PRO 43 1HB PRO 43 22.033 -1.143 -3.836 299 HB3 PRO 43 2HB PRO 43 22.326 0.229 -4.911 300 HG2 PRO 43 1HG PRO 43 23.048 -0.105 -2.025 301 HG3 PRO 43 2HG PRO 43 24.016 0.568 -3.350 302 HD2 PRO 43 1HD PRO 43 22.715 2.127 -1.557 303 HD3 PRO 43 2HD PRO 43 22.963 2.616 -3.246 304 H SER 44 H SER 44 18.650 -0.831 -4.077 305 HA SER 44 HA SER 44 17.363 -1.399 -1.812 306 HB2 SER 44 1HB SER 44 18.027 -3.411 -3.974 307 HB3 SER 44 2HB SER 44 16.775 -3.635 -2.752 308 HG SER 44 HG SER 44 15.530 -2.231 -3.749 309 H SER 45 H SER 45 20.385 -2.923 -2.803 310 HA SER 45 HA SER 45 21.176 -3.446 -0.137 311 HB2 SER 45 1HB SER 45 20.980 -5.801 0.019 312 HB3 SER 45 2HB SER 45 19.409 -5.253 -0.566 313 HG SER 45 HG SER 45 21.281 -6.832 -1.788 314 H GLY 46 H GLY 46 23.332 -3.466 -0.105 315 HA2 GLY 46 1HA GLY 46 24.782 -4.515 -2.435 316 HA3 GLY 46 2HA GLY 46 25.107 -2.871 -1.907 Start of MODEL 7 1 H1 GLY 1 1H GLY 1 16.233 -17.805 10.216 2 HA2 GLY 1 1HA GLY 1 14.152 -16.810 9.071 3 HA3 GLY 1 2HA GLY 1 13.480 -18.407 9.362 4 H SER 2 H SER 2 11.867 -16.980 10.496 5 HA SER 2 HA SER 2 12.713 -16.610 13.294 6 HB2 SER 2 1HB SER 2 11.381 -14.640 13.493 7 HB3 SER 2 2HB SER 2 12.333 -14.446 12.022 8 HG SER 2 HG SER 2 10.136 -13.897 11.699 9 H SER 3 H SER 3 10.663 -16.430 14.741 10 HA SER 3 HA SER 3 9.336 -18.903 14.640 11 HB2 SER 3 1HB SER 3 8.514 -16.427 16.176 12 HB3 SER 3 2HB SER 3 8.017 -18.083 16.522 13 HG SER 3 HG SER 3 10.535 -18.303 16.546 14 H GLY 4 H GLY 4 7.020 -19.294 14.475 15 HA2 GLY 4 1HA GLY 4 5.930 -18.011 12.135 16 HA3 GLY 4 2HA GLY 4 5.207 -19.338 13.032 17 H SER 5 H SER 5 3.657 -17.283 12.057 18 HA SER 5 HA SER 5 2.822 -15.961 14.550 19 HB2 SER 5 1HB SER 5 2.273 -13.939 13.351 20 HB3 SER 5 2HB SER 5 3.946 -14.358 12.982 21 HG SER 5 HG SER 5 1.739 -15.055 11.342 22 H SER 6 H SER 6 0.543 -15.401 14.633 23 HA SER 6 HA SER 6 -1.089 -17.228 12.996 24 HB2 SER 6 1HB SER 6 -2.704 -17.160 14.928 25 HB3 SER 6 2HB SER 6 -1.156 -17.919 15.298 26 HG SER 6 HG SER 6 -2.093 -15.362 16.045 27 H GLY 7 H GLY 7 -2.944 -16.486 12.036 28 HA2 GLY 7 1HA GLY 7 -4.612 -14.970 11.452 29 HA3 GLY 7 2HA GLY 7 -3.928 -13.818 12.590 30 H THR 8 H THR 8 -3.357 -15.315 9.425 31 HA THR 8 HA THR 8 -1.312 -13.852 8.421 32 HB THR 8 HB THR 8 -3.852 -14.483 6.904 33 HG1 THR 8 HG1 THR 8 -1.502 -16.037 6.824 34 HG21 THR 8 3HG2 THR 8 -2.526 -14.360 4.912 35 HG22 THR 8 1HG2 THR 8 -1.050 -14.116 5.846 36 HG23 THR 8 2HG2 THR 8 -2.289 -12.861 5.809 37 H GLY 9 H GLY 9 -4.701 -12.801 8.593 38 HA2 GLY 9 1HA GLY 9 -5.530 -10.646 8.795 39 HA3 GLY 9 2HA GLY 9 -3.879 -10.044 8.753 40 H GLU 10 H GLU 10 -6.512 -11.263 6.733 41 HA GLU 10 HA GLU 10 -5.279 -10.459 4.279 42 HB2 GLU 10 1HB GLU 10 -7.952 -11.526 5.076 43 HB3 GLU 10 2HB GLU 10 -7.789 -10.757 3.503 44 HG2 GLU 10 1HG GLU 10 -7.504 -13.280 3.617 45 HG3 GLU 10 2HG GLU 10 -6.283 -12.361 2.738 46 H LYS 11 H LYS 11 -5.121 -8.459 3.540 47 HA LYS 11 HA LYS 11 -7.092 -6.461 4.442 48 HB2 LYS 11 1HB LYS 11 -4.147 -6.320 3.992 49 HB3 LYS 11 2HB LYS 11 -5.105 -4.884 3.652 50 HG2 LYS 11 1HG LYS 11 -5.659 -4.561 5.849 51 HG3 LYS 11 2HG LYS 11 -5.481 -6.269 6.259 52 HD2 LYS 11 1HD LYS 11 -3.135 -4.555 5.484 53 HD3 LYS 11 2HD LYS 11 -3.708 -4.666 7.150 54 HE2 LYS 11 1HE LYS 11 -3.552 -7.254 6.664 55 HE3 LYS 11 2HE LYS 11 -2.398 -6.724 5.441 56 HZ1 LYS 11 3HZ LYS 11 -1.100 -7.083 7.309 57 HZ2 LYS 11 1HZ LYS 11 -2.243 -6.430 8.372 58 HZ3 LYS 11 2HZ LYS 11 -1.354 -5.411 7.357 59 HA PRO 12 HA PRO 12 -8.367 -5.973 0.258 60 HB2 PRO 12 1HB PRO 12 -9.375 -3.456 0.401 61 HB3 PRO 12 2HB PRO 12 -10.191 -4.860 1.100 62 HG2 PRO 12 1HG PRO 12 -8.481 -2.801 2.441 63 HG3 PRO 12 2HG PRO 12 -10.009 -3.514 2.988 64 HD2 PRO 12 1HD PRO 12 -7.604 -4.324 3.932 65 HD3 PRO 12 2HD PRO 12 -8.984 -5.427 3.764 66 H TYR 13 H TYR 13 -6.531 -3.301 1.712 67 HA TYR 13 HA TYR 13 -5.597 -2.444 -0.908 68 HB2 TYR 13 1HB TYR 13 -4.849 -1.313 1.792 69 HB3 TYR 13 2HB TYR 13 -4.647 -0.546 0.220 70 HD1 TYR 13 HD2 TYR 13 -6.565 0.409 -0.954 71 HD2 TYR 13 HD1 TYR 13 -7.002 -1.356 2.893 72 HE1 TYR 13 HE2 TYR 13 -8.767 1.480 -0.719 73 HE2 TYR 13 HE1 TYR 13 -9.205 -0.291 3.138 74 HH TYR 13 HH TYR 13 -10.868 1.104 0.562 75 H ASN 14 H ASN 14 -3.661 -2.909 -1.748 76 HA ASN 14 HA ASN 14 -1.478 -3.787 -0.038 77 HB2 ASN 14 1HB ASN 14 -1.089 -5.796 -1.529 78 HB3 ASN 14 2HB ASN 14 -2.484 -5.908 -0.460 79 HD21 ASN 14 1HD2 ASN 14 -4.359 -6.442 -1.327 80 HD22 ASN 14 2HD2 ASN 14 -4.734 -6.418 -3.014 81 H CYS 15 H CYS 15 0.137 -2.514 -0.643 82 HA CYS 15 HA CYS 15 0.288 -1.143 -3.089 83 HB2 CYS 15 1HB CYS 15 1.436 -0.461 -0.980 84 HB3 CYS 15 2HB CYS 15 2.572 -1.786 -1.214 85 H LYS 16 H LYS 16 1.124 -1.641 -5.023 86 HA LYS 16 HA LYS 16 2.095 -4.352 -5.434 87 HB2 LYS 16 1HB LYS 16 1.429 -2.152 -7.399 88 HB3 LYS 16 2HB LYS 16 1.922 -3.780 -7.846 89 HG2 LYS 16 1HG LYS 16 -0.462 -3.320 -6.096 90 HG3 LYS 16 2HG LYS 16 -0.578 -3.203 -7.853 91 HD2 LYS 16 1HD LYS 16 0.724 -5.604 -6.663 92 HD3 LYS 16 2HD LYS 16 -1.035 -5.477 -6.599 93 HE2 LYS 16 1HE LYS 16 -1.183 -5.324 -8.975 94 HE3 LYS 16 2HE LYS 16 0.565 -5.156 -9.131 95 HZ1 LYS 16 3HZ LYS 16 -0.963 -7.567 -8.336 96 HZ2 LYS 16 1HZ LYS 16 0.710 -7.435 -8.119 97 HZ3 LYS 16 2HZ LYS 16 0.053 -7.373 -9.676 98 H GLU 17 H GLU 17 3.261 -1.064 -5.476 99 HA GLU 17 HA GLU 17 5.592 -1.291 -6.937 100 HB2 GLU 17 1HB GLU 17 4.870 0.360 -4.534 101 HB3 GLU 17 2HB GLU 17 6.481 0.450 -5.233 102 HG2 GLU 17 1HG GLU 17 5.363 2.197 -6.249 103 HG3 GLU 17 2HG GLU 17 5.269 0.910 -7.449 104 H CYS 18 H CYS 18 5.439 -1.513 -3.377 105 HA CYS 18 HA CYS 18 7.936 -3.025 -3.397 106 HB2 CYS 18 1HB CYS 18 7.953 -2.662 -0.979 107 HB3 CYS 18 2HB CYS 18 7.722 -1.139 -1.831 108 H GLY 19 H GLY 19 4.579 -3.337 -2.298 109 HA2 GLY 19 1HA GLY 19 3.488 -5.495 -2.610 110 HA3 GLY 19 2HA GLY 19 5.010 -6.255 -2.168 111 H LYS 20 H LYS 20 3.372 -3.547 -0.582 112 HA LYS 20 HA LYS 20 3.364 -5.114 1.899 113 HB2 LYS 20 1HB LYS 20 3.417 -2.181 1.293 114 HB3 LYS 20 2HB LYS 20 2.806 -2.735 2.847 115 HG2 LYS 20 1HG LYS 20 4.953 -3.925 3.207 116 HG3 LYS 20 2HG LYS 20 5.553 -3.207 1.711 117 HD2 LYS 20 1HD LYS 20 6.349 -1.705 3.256 118 HD3 LYS 20 2HD LYS 20 4.797 -0.967 2.855 119 HE2 LYS 20 1HE LYS 20 4.944 -2.930 5.096 120 HE3 LYS 20 2HE LYS 20 5.530 -1.288 5.354 121 HZ1 LYS 20 3HZ LYS 20 2.816 -2.251 5.000 122 HZ2 LYS 20 1HZ LYS 20 3.181 -0.804 4.203 123 HZ3 LYS 20 2HZ LYS 20 3.390 -0.923 5.877 124 H SER 21 H SER 21 1.483 -4.103 3.417 125 HA SER 21 HA SER 21 -1.019 -4.201 1.871 126 HB2 SER 21 1HB SER 21 -1.989 -5.524 3.804 127 HB3 SER 21 2HB SER 21 -0.815 -6.389 2.812 128 HG SER 21 HG SER 21 -0.661 -5.587 5.448 129 H PHE 22 H PHE 22 -2.900 -3.354 3.078 130 HA PHE 22 HA PHE 22 -2.374 -1.649 5.347 131 HB2 PHE 22 1HB PHE 22 -3.061 -0.490 2.643 132 HB3 PHE 22 2HB PHE 22 -3.256 0.394 4.154 133 HD1 PHE 22 HD2 PHE 22 -0.791 -1.188 1.911 134 HD2 PHE 22 HD1 PHE 22 -1.415 1.406 5.228 135 HE1 PHE 22 HE2 PHE 22 1.558 -0.468 1.786 136 HE2 PHE 22 HE1 PHE 22 0.933 2.130 5.108 137 HZ PHE 22 HZ PHE 22 2.424 1.193 3.386 138 H ARG 23 H ARG 23 -4.193 -1.212 6.517 139 HA ARG 23 HA ARG 23 -6.521 -2.758 5.939 140 HB2 ARG 23 1HB ARG 23 -5.945 -0.705 8.079 141 HB3 ARG 23 2HB ARG 23 -7.431 -1.643 7.998 142 HG2 ARG 23 1HG ARG 23 -6.132 -3.708 8.222 143 HG3 ARG 23 2HG ARG 23 -4.652 -2.753 8.331 144 HD2 ARG 23 1HD ARG 23 -6.969 -2.395 10.215 145 HD3 ARG 23 2HD ARG 23 -5.657 -3.532 10.522 146 HE ARG 23 HE ARG 23 -4.336 -1.233 10.082 147 HH11 ARG 23 1HH1 ARG 23 -7.035 -2.035 12.129 148 HH12 ARG 23 2HH1 ARG 23 -6.648 -0.844 13.327 149 HH21 ARG 23 1HH2 ARG 23 -3.815 0.338 11.652 150 HH22 ARG 23 2HH2 ARG 23 -4.816 0.505 13.054 151 H TRP 24 H TRP 24 -6.041 0.757 6.324 152 HA TRP 24 HA TRP 24 -8.502 1.192 4.783 153 HB2 TRP 24 1HB TRP 24 -7.012 2.817 6.811 154 HB3 TRP 24 2HB TRP 24 -8.046 3.633 5.642 155 HD1 TRP 24 HD1 TRP 24 -8.230 2.422 9.012 156 HE1 TRP 24 HE1 TRP 24 -10.646 1.896 9.728 157 HE3 TRP 24 HE3 TRP 24 -10.439 2.325 4.403 158 HZ2 TRP 24 HZ2 TRP 24 -13.156 1.493 8.501 159 HZ3 TRP 24 HZ3 TRP 24 -12.852 1.861 4.261 160 HH2 TRP 24 HH2 TRP 24 -14.180 1.454 6.268 161 H ALA 25 H ALA 25 -8.535 2.864 3.155 162 HA ALA 25 HA ALA 25 -6.456 2.657 1.294 163 HB1 ALA 25 3HB ALA 25 -9.023 3.828 1.394 164 HB2 ALA 25 1HB ALA 25 -7.902 5.072 0.841 165 HB3 ALA 25 2HB ALA 25 -8.010 3.536 -0.020 166 H SER 26 H SER 26 -7.356 5.451 3.323 167 HA SER 26 HA SER 26 -5.435 7.245 2.630 168 HB2 SER 26 1HB SER 26 -6.398 6.652 5.439 169 HB3 SER 26 2HB SER 26 -5.565 8.125 4.944 170 HG SER 26 HG SER 26 -7.822 7.389 3.489 171 H CYS 27 H CYS 27 -5.042 4.906 5.298 172 HA CYS 27 HA CYS 27 -2.512 5.316 6.082 173 HB2 CYS 27 1HB CYS 27 -4.181 3.392 6.667 174 HB3 CYS 27 2HB CYS 27 -3.292 2.490 5.446 175 HG CYS 27 HG CYS 27 -2.080 3.739 8.386 176 H LEU 28 H LEU 28 -3.292 3.158 3.349 177 HA LEU 28 HA LEU 28 -0.668 2.701 2.525 178 HB2 LEU 28 1HB LEU 28 -2.237 1.272 1.603 179 HB3 LEU 28 2HB LEU 28 -3.325 2.588 1.165 180 HG LEU 28 HG LEU 28 -1.751 3.226 -0.642 181 HD11 LEU 28 1HD1 LEU 28 -0.311 0.815 -0.919 182 HD12 LEU 28 2HD1 LEU 28 -0.050 1.394 0.726 183 HD13 LEU 28 3HD1 LEU 28 0.319 2.440 -0.645 184 HD21 LEU 28 3HD2 LEU 28 -2.097 0.837 -1.835 185 HD22 LEU 28 1HD2 LEU 28 -3.385 2.023 -1.626 186 HD23 LEU 28 2HD2 LEU 28 -3.231 0.681 -0.492 187 H LEU 29 H LEU 29 -2.965 5.210 1.528 188 HA LEU 29 HA LEU 29 -1.627 6.404 -0.533 189 HB2 LEU 29 1HB LEU 29 -3.848 7.010 0.747 190 HB3 LEU 29 2HB LEU 29 -2.798 8.164 1.566 191 HG LEU 29 HG LEU 29 -3.160 8.049 -1.425 192 HD11 LEU 29 1HD1 LEU 29 -5.205 8.859 -1.000 193 HD12 LEU 29 2HD1 LEU 29 -4.352 10.351 -0.609 194 HD13 LEU 29 3HD1 LEU 29 -4.816 9.239 0.678 195 HD21 LEU 29 3HD2 LEU 29 -2.267 10.416 -1.173 196 HD22 LEU 29 1HD2 LEU 29 -1.116 9.102 -0.930 197 HD23 LEU 29 2HD2 LEU 29 -1.794 9.949 0.461 198 H LYS 30 H LYS 30 -1.149 7.054 2.931 199 HA LYS 30 HA LYS 30 0.848 8.992 2.665 200 HB2 LYS 30 1HB LYS 30 -0.021 7.138 4.829 201 HB3 LYS 30 2HB LYS 30 1.537 7.934 5.011 202 HG2 LYS 30 1HG LYS 30 -0.872 9.555 4.327 203 HG3 LYS 30 2HG LYS 30 -0.616 9.018 5.989 204 HD2 LYS 30 1HD LYS 30 1.518 10.438 4.417 205 HD3 LYS 30 2HD LYS 30 0.301 11.312 5.351 206 HE2 LYS 30 1HE LYS 30 1.959 9.141 6.590 207 HE3 LYS 30 2HE LYS 30 2.562 10.793 6.465 208 HZ1 LYS 30 3HZ LYS 30 1.565 10.677 8.553 209 HZ2 LYS 30 1HZ LYS 30 0.232 9.802 7.989 210 HZ3 LYS 30 2HZ LYS 30 0.396 11.439 7.596 211 H HIS 31 H HIS 31 1.115 5.470 3.044 212 HA HIS 31 HA HIS 31 3.891 5.279 3.134 213 HB2 HIS 31 1HB HIS 31 2.810 3.292 3.648 214 HB3 HIS 31 2HB HIS 31 1.708 3.417 2.281 215 HD1 HIS 31 HD1 HIS 31 5.442 2.883 2.811 216 HD2 HIS 31 HD2 HIS 31 2.360 1.736 0.273 217 HE1 HIS 31 HE1 HIS 31 6.466 1.232 1.214 218 H GLN 32 H GLN 32 1.712 5.320 0.341 219 HA GLN 32 HA GLN 32 3.380 4.731 -1.724 220 HB2 GLN 32 1HB GLN 32 1.334 6.955 -1.647 221 HB3 GLN 32 2HB GLN 32 2.036 6.285 -3.113 222 HG2 GLN 32 1HG GLN 32 0.969 4.217 -2.809 223 HG3 GLN 32 2HG GLN 32 0.557 4.585 -1.135 224 HE21 GLN 32 1HE2 GLN 32 -1.466 3.718 -2.498 225 HE22 GLN 32 2HE2 GLN 32 -2.537 4.981 -2.992 226 H ARG 33 H ARG 33 3.581 7.452 0.372 227 HA ARG 33 HA ARG 33 4.871 9.360 -1.136 228 HB2 ARG 33 1HB ARG 33 5.064 8.571 1.748 229 HB3 ARG 33 2HB ARG 33 6.141 9.806 1.110 230 HG2 ARG 33 1HG ARG 33 3.971 10.906 0.234 231 HG3 ARG 33 2HG ARG 33 3.170 9.866 1.413 232 HD2 ARG 33 1HD ARG 33 3.635 12.062 2.361 233 HD3 ARG 33 2HD ARG 33 4.558 10.809 3.189 234 HE ARG 33 HE ARG 33 6.222 11.768 1.224 235 HH11 ARG 33 1HH1 ARG 33 4.530 13.101 3.960 236 HH12 ARG 33 2HH1 ARG 33 5.704 14.341 4.248 237 HH21 ARG 33 1HH2 ARG 33 7.775 13.397 1.593 238 HH22 ARG 33 2HH2 ARG 33 7.550 14.509 2.901 239 H VAL 34 H VAL 34 6.295 6.559 0.511 240 HA VAL 34 HA VAL 34 8.978 7.071 -0.031 241 HB VAL 34 HB VAL 34 9.369 4.677 0.264 242 HG11 VAL 34 1HG1 VAL 34 9.153 5.008 2.448 243 HG12 VAL 34 2HG1 VAL 34 8.138 6.410 2.105 244 HG13 VAL 34 3HG1 VAL 34 7.403 4.824 2.339 245 HG21 VAL 34 3HG2 VAL 34 7.002 4.285 -0.979 246 HG22 VAL 34 1HG2 VAL 34 7.820 3.061 -0.007 247 HG23 VAL 34 2HG2 VAL 34 6.529 4.032 0.701 248 H HIS 35 H HIS 35 6.444 5.934 -2.106 249 HA HIS 35 HA HIS 35 8.339 5.149 -4.187 250 HB2 HIS 35 1HB HIS 35 5.323 4.965 -4.068 251 HB3 HIS 35 2HB HIS 35 6.307 4.408 -5.418 252 HD1 HIS 35 HD1 HIS 35 8.392 2.712 -4.307 253 HD2 HIS 35 HD2 HIS 35 4.613 2.837 -2.583 254 HE1 HIS 35 HE1 HIS 35 8.176 0.573 -3.003 255 H SER 36 H SER 36 7.908 7.958 -3.292 256 HA SER 36 HA SER 36 6.667 9.187 -5.628 257 HB2 SER 36 1HB SER 36 6.206 10.065 -3.334 258 HB3 SER 36 2HB SER 36 7.903 10.526 -3.211 259 HG SER 36 HG SER 36 5.972 11.504 -5.041 260 H GLY 37 H GLY 37 9.813 9.056 -3.994 261 HA2 GLY 37 1HA GLY 37 11.782 8.838 -5.447 262 HA3 GLY 37 2HA GLY 37 11.032 10.022 -6.507 263 H GLU 38 H GLU 38 12.369 9.594 -3.253 264 HA GLU 38 HA GLU 38 13.243 12.405 -3.354 265 HB2 GLU 38 1HB GLU 38 11.986 10.889 -1.084 266 HB3 GLU 38 2HB GLU 38 13.033 12.268 -0.777 267 HG2 GLU 38 1HG GLU 38 11.484 13.511 -2.429 268 HG3 GLU 38 2HG GLU 38 10.363 12.187 -2.113 269 H LYS 39 H LYS 39 15.373 12.589 -3.306 270 HA LYS 39 HA LYS 39 17.019 11.153 -1.485 271 HB2 LYS 39 1HB LYS 39 18.327 9.849 -3.037 272 HB3 LYS 39 2HB LYS 39 16.636 9.394 -3.201 273 HG2 LYS 39 1HG LYS 39 17.188 9.556 -5.394 274 HG3 LYS 39 2HG LYS 39 16.702 11.228 -5.105 275 HD2 LYS 39 1HD LYS 39 18.727 11.487 -6.196 276 HD3 LYS 39 2HD LYS 39 19.205 11.577 -4.500 277 HE2 LYS 39 1HE LYS 39 19.729 9.136 -4.603 278 HE3 LYS 39 2HE LYS 39 19.425 9.198 -6.339 279 HZ1 LYS 39 3HZ LYS 39 21.681 10.223 -4.812 280 HZ2 LYS 39 1HZ LYS 39 21.158 11.180 -6.105 281 HZ3 LYS 39 2HZ LYS 39 21.634 9.580 -6.376 282 HA PRO 40 HA PRO 40 19.453 14.752 -2.195 283 HB2 PRO 40 1HB PRO 40 21.796 13.910 -1.112 284 HB3 PRO 40 2HB PRO 40 20.387 14.343 -0.136 285 HG2 PRO 40 1HG PRO 40 21.356 11.635 -0.967 286 HG3 PRO 40 2HG PRO 40 20.744 12.170 0.610 287 HD2 PRO 40 1HD PRO 40 19.219 10.794 -1.155 288 HD3 PRO 40 2HD PRO 40 18.542 12.006 -0.049 289 H SER 41 H SER 41 20.899 15.569 -3.661 290 HA SER 41 HA SER 41 22.805 13.940 -5.039 291 HB2 SER 41 1HB SER 41 20.399 13.546 -6.084 292 HB3 SER 41 2HB SER 41 20.757 15.068 -6.899 293 HG SER 41 HG SER 41 21.645 13.650 -8.240 294 H GLY 42 H GLY 42 24.464 15.204 -5.565 295 HA2 GLY 42 1HA GLY 42 23.950 18.002 -6.301 296 HA3 GLY 42 2HA GLY 42 25.060 17.665 -4.980 297 HA PRO 43 HA PRO 43 27.024 16.090 -9.147 298 HB2 PRO 43 1HB PRO 43 26.065 17.329 -11.364 299 HB3 PRO 43 2HB PRO 43 25.401 15.811 -10.749 300 HG2 PRO 43 1HG PRO 43 24.385 18.604 -10.394 301 HG3 PRO 43 2HG PRO 43 23.480 17.121 -10.752 302 HD2 PRO 43 1HD PRO 43 23.613 18.182 -8.264 303 HD3 PRO 43 2HD PRO 43 23.489 16.435 -8.552 304 H SER 44 H SER 44 28.542 17.199 -10.662 305 HA SER 44 HA SER 44 30.269 18.698 -10.815 306 HB2 SER 44 1HB SER 44 29.604 20.846 -11.648 307 HB3 SER 44 2HB SER 44 28.413 19.679 -12.222 308 HG SER 44 HG SER 44 26.949 20.453 -10.815 309 H SER 45 H SER 45 29.813 17.994 -8.165 310 HA SER 45 HA SER 45 30.496 20.507 -6.793 311 HB2 SER 45 1HB SER 45 28.204 19.795 -6.175 312 HB3 SER 45 2HB SER 45 28.850 18.251 -5.620 313 HG SER 45 HG SER 45 28.543 20.258 -4.124 314 H GLY 46 H GLY 46 31.655 20.080 -4.679 315 HA2 GLY 46 1HA GLY 46 34.053 18.818 -5.068 316 HA3 GLY 46 2HA GLY 46 33.357 19.097 -3.479 Start of MODEL 8 1 H1 GLY 1 1H GLY 1 5.288 -29.793 0.320 2 HA2 GLY 1 1HA GLY 1 3.807 -28.424 -0.781 3 HA3 GLY 1 2HA GLY 1 3.075 -29.924 -1.331 4 H SER 2 H SER 2 1.923 -30.996 0.816 5 HA SER 2 HA SER 2 -0.293 -29.222 1.278 6 HB2 SER 2 1HB SER 2 0.304 -32.067 2.075 7 HB3 SER 2 2HB SER 2 -1.124 -31.219 2.667 8 HG SER 2 HG SER 2 -1.955 -31.918 0.860 9 H SER 3 H SER 3 -0.003 -27.621 2.700 10 HA SER 3 HA SER 3 1.048 -28.331 5.360 11 HB2 SER 3 1HB SER 3 2.634 -26.924 4.003 12 HB3 SER 3 2HB SER 3 1.416 -25.649 4.009 13 HG SER 3 HG SER 3 2.120 -26.757 6.465 14 H GLY 4 H GLY 4 -0.960 -26.024 3.544 15 HA2 GLY 4 1HA GLY 4 -3.024 -25.139 4.074 16 HA3 GLY 4 2HA GLY 4 -3.072 -26.209 5.467 17 H SER 5 H SER 5 -1.084 -23.436 4.423 18 HA SER 5 HA SER 5 -1.557 -22.247 7.079 19 HB2 SER 5 1HB SER 5 0.694 -21.237 6.919 20 HB3 SER 5 2HB SER 5 0.764 -22.999 6.881 21 HG SER 5 HG SER 5 1.252 -21.147 4.842 22 H SER 6 H SER 6 -3.291 -21.749 4.994 23 HA SER 6 HA SER 6 -3.160 -18.908 4.827 24 HB2 SER 6 1HB SER 6 -1.594 -19.330 3.030 25 HB3 SER 6 2HB SER 6 -2.693 -20.494 2.291 26 HG SER 6 HG SER 6 -4.177 -18.723 2.021 27 H GLY 7 H GLY 7 -5.204 -18.334 5.109 28 HA2 GLY 7 1HA GLY 7 -7.300 -19.281 3.412 29 HA3 GLY 7 2HA GLY 7 -7.412 -19.974 5.023 30 H THR 8 H THR 8 -6.696 -17.921 6.645 31 HA THR 8 HA THR 8 -8.651 -15.810 6.004 32 HB THR 8 HB THR 8 -9.170 -15.657 8.414 33 HG1 THR 8 HG1 THR 8 -7.948 -18.152 8.843 34 HG21 THR 8 3HG2 THR 8 -10.613 -17.545 8.519 35 HG22 THR 8 1HG2 THR 8 -9.572 -18.485 7.451 36 HG23 THR 8 2HG2 THR 8 -10.477 -17.112 6.815 37 H GLY 9 H GLY 9 -8.209 -13.712 6.792 38 HA2 GLY 9 1HA GLY 9 -6.863 -12.105 7.914 39 HA3 GLY 9 2HA GLY 9 -5.553 -13.275 7.959 40 H GLU 10 H GLU 10 -7.239 -10.917 6.009 41 HA GLU 10 HA GLU 10 -4.862 -10.420 4.476 42 HB2 GLU 10 1HB GLU 10 -6.249 -12.408 3.409 43 HB3 GLU 10 2HB GLU 10 -7.222 -11.088 2.776 44 HG2 GLU 10 1HG GLU 10 -5.512 -11.811 1.192 45 HG3 GLU 10 2HG GLU 10 -5.285 -10.135 1.688 46 H LYS 11 H LYS 11 -4.773 -8.331 3.926 47 HA LYS 11 HA LYS 11 -7.086 -6.662 4.491 48 HB2 LYS 11 1HB LYS 11 -4.166 -6.159 4.052 49 HB3 LYS 11 2HB LYS 11 -5.309 -4.833 3.879 50 HG2 LYS 11 1HG LYS 11 -5.846 -4.821 6.111 51 HG3 LYS 11 2HG LYS 11 -5.396 -6.512 6.339 52 HD2 LYS 11 1HD LYS 11 -3.264 -4.586 5.572 53 HD3 LYS 11 2HD LYS 11 -3.878 -4.529 7.226 54 HE2 LYS 11 1HE LYS 11 -2.887 -7.037 5.880 55 HE3 LYS 11 2HE LYS 11 -1.882 -6.003 6.896 56 HZ1 LYS 11 3HZ LYS 11 -2.704 -6.965 8.697 57 HZ2 LYS 11 1HZ LYS 11 -3.539 -8.060 7.715 58 HZ3 LYS 11 2HZ LYS 11 -4.295 -6.637 8.228 59 HA PRO 12 HA PRO 12 -8.306 -6.068 0.310 60 HB2 PRO 12 1HB PRO 12 -9.403 -3.591 0.487 61 HB3 PRO 12 2HB PRO 12 -10.179 -5.034 1.148 62 HG2 PRO 12 1HG PRO 12 -8.558 -2.944 2.550 63 HG3 PRO 12 2HG PRO 12 -10.067 -3.720 3.063 64 HD2 PRO 12 1HD PRO 12 -7.647 -4.463 4.023 65 HD3 PRO 12 2HD PRO 12 -8.986 -5.611 3.817 66 H TYR 13 H TYR 13 -6.719 -3.239 1.791 67 HA TYR 13 HA TYR 13 -5.773 -2.299 -0.769 68 HB2 TYR 13 1HB TYR 13 -5.021 -1.316 1.989 69 HB3 TYR 13 2HB TYR 13 -4.800 -0.463 0.466 70 HD1 TYR 13 HD1 TYR 13 -7.217 -1.476 3.025 71 HD2 TYR 13 HD2 TYR 13 -6.674 0.610 -0.643 72 HE1 TYR 13 HE1 TYR 13 -9.425 -0.428 3.300 73 HE2 TYR 13 HE2 TYR 13 -8.880 1.665 -0.377 74 HH TYR 13 HH TYR 13 -10.857 1.086 2.509 75 H ASN 14 H ASN 14 -3.856 -2.693 -1.682 76 HA ASN 14 HA ASN 14 -1.620 -3.630 -0.069 77 HB2 ASN 14 1HB ASN 14 -2.553 -5.741 -0.608 78 HB3 ASN 14 2HB ASN 14 -2.913 -5.248 -2.260 79 HD21 ASN 14 1HD2 ASN 14 -0.848 -6.974 -0.361 80 HD22 ASN 14 2HD2 ASN 14 0.508 -7.068 -1.428 81 H CYS 15 H CYS 15 0.334 -3.029 -0.866 82 HA CYS 15 HA CYS 15 0.309 -1.272 -3.185 83 HB2 CYS 15 1HB CYS 15 1.416 -0.577 -1.066 84 HB3 CYS 15 2HB CYS 15 2.571 -1.889 -1.274 85 H LYS 16 H LYS 16 1.265 -1.685 -5.098 86 HA LYS 16 HA LYS 16 2.289 -4.386 -5.520 87 HB2 LYS 16 1HB LYS 16 1.482 -2.204 -7.447 88 HB3 LYS 16 2HB LYS 16 2.140 -3.756 -7.947 89 HG2 LYS 16 1HG LYS 16 -0.267 -3.658 -6.184 90 HG3 LYS 16 2HG LYS 16 -0.425 -3.389 -7.921 91 HD2 LYS 16 1HD LYS 16 0.344 -5.539 -8.439 92 HD3 LYS 16 2HD LYS 16 1.039 -5.773 -6.833 93 HE2 LYS 16 1HE LYS 16 -1.367 -5.597 -5.975 94 HE3 LYS 16 2HE LYS 16 -1.849 -5.819 -7.657 95 HZ1 LYS 16 3HZ LYS 16 0.049 -7.773 -7.033 96 HZ2 LYS 16 1HZ LYS 16 -1.589 -7.987 -7.399 97 HZ3 LYS 16 2HZ LYS 16 -1.103 -7.772 -5.794 98 H GLU 17 H GLU 17 3.344 -1.076 -5.464 99 HA GLU 17 HA GLU 17 5.681 -1.192 -6.948 100 HB2 GLU 17 1HB GLU 17 4.881 0.404 -4.533 101 HB3 GLU 17 2HB GLU 17 6.498 0.556 -5.207 102 HG2 GLU 17 1HG GLU 17 4.067 0.887 -6.921 103 HG3 GLU 17 2HG GLU 17 4.700 2.218 -5.953 104 H CYS 18 H CYS 18 5.442 -1.574 -3.406 105 HA CYS 18 HA CYS 18 8.002 -3.005 -3.450 106 HB2 CYS 18 1HB CYS 18 8.038 -2.625 -1.019 107 HB3 CYS 18 2HB CYS 18 7.860 -1.114 -1.905 108 H GLY 19 H GLY 19 4.673 -3.300 -2.262 109 HA2 GLY 19 1HA GLY 19 3.589 -5.475 -2.539 110 HA3 GLY 19 2HA GLY 19 5.116 -6.215 -2.079 111 H LYS 20 H LYS 20 3.239 -3.561 -0.633 112 HA LYS 20 HA LYS 20 3.338 -5.019 1.920 113 HB2 LYS 20 1HB LYS 20 3.358 -2.118 1.210 114 HB3 LYS 20 2HB LYS 20 2.666 -2.601 2.753 115 HG2 LYS 20 1HG LYS 20 4.821 -3.799 3.228 116 HG3 LYS 20 2HG LYS 20 5.481 -3.023 1.787 117 HD2 LYS 20 1HD LYS 20 6.130 -1.594 3.504 118 HD3 LYS 20 2HD LYS 20 4.671 -0.826 2.874 119 HE2 LYS 20 1HE LYS 20 4.243 -0.752 5.124 120 HE3 LYS 20 2HE LYS 20 3.494 -2.293 4.707 121 HZ1 LYS 20 3HZ LYS 20 5.530 -3.412 5.423 122 HZ2 LYS 20 1HZ LYS 20 4.840 -2.515 6.681 123 HZ3 LYS 20 2HZ LYS 20 6.202 -1.925 5.870 124 H SER 21 H SER 21 1.413 -3.991 3.389 125 HA SER 21 HA SER 21 -1.076 -4.130 1.840 126 HB2 SER 21 1HB SER 21 -0.309 -5.848 4.193 127 HB3 SER 21 2HB SER 21 -1.997 -5.553 3.779 128 HG SER 21 HG SER 21 -0.340 -7.317 2.707 129 H PHE 22 H PHE 22 -2.968 -3.360 3.054 130 HA PHE 22 HA PHE 22 -2.490 -1.804 5.442 131 HB2 PHE 22 1HB PHE 22 -3.194 -0.470 2.822 132 HB3 PHE 22 2HB PHE 22 -3.344 0.309 4.394 133 HD1 PHE 22 HD2 PHE 22 -0.975 -1.057 1.935 134 HD2 PHE 22 HD1 PHE 22 -1.442 1.151 5.544 135 HE1 PHE 22 HE2 PHE 22 1.377 -0.349 1.802 136 HE2 PHE 22 HE1 PHE 22 0.910 1.862 5.417 137 HZ PHE 22 HZ PHE 22 2.323 1.112 3.545 138 H ARG 23 H ARG 23 -4.363 -1.308 6.559 139 HA ARG 23 HA ARG 23 -6.673 -2.868 5.836 140 HB2 ARG 23 1HB ARG 23 -5.687 -2.435 8.203 141 HB3 ARG 23 2HB ARG 23 -6.589 -0.928 8.125 142 HG2 ARG 23 1HG ARG 23 -8.651 -2.028 8.061 143 HG3 ARG 23 2HG ARG 23 -7.910 -3.572 7.632 144 HD2 ARG 23 1HD ARG 23 -7.579 -2.140 10.267 145 HD3 ARG 23 2HD ARG 23 -8.654 -3.508 9.976 146 HE ARG 23 HE ARG 23 -5.921 -4.047 9.292 147 HH11 ARG 23 1HH1 ARG 23 -8.249 -3.976 11.879 148 HH12 ARG 23 2HH1 ARG 23 -7.401 -5.134 12.849 149 HH21 ARG 23 1HH2 ARG 23 -4.795 -5.572 10.560 150 HH22 ARG 23 2HH2 ARG 23 -5.436 -6.041 12.098 151 H TRP 24 H TRP 24 -5.907 0.574 6.176 152 HA TRP 24 HA TRP 24 -8.489 1.214 4.915 153 HB2 TRP 24 1HB TRP 24 -6.685 2.827 6.716 154 HB3 TRP 24 2HB TRP 24 -7.994 3.558 5.791 155 HD1 TRP 24 HD1 TRP 24 -7.348 2.241 9.106 156 HE1 TRP 24 HE1 TRP 24 -9.531 1.638 10.329 157 HE3 TRP 24 HE3 TRP 24 -10.551 2.295 5.122 158 HZ2 TRP 24 HZ2 TRP 24 -12.251 1.237 9.688 159 HZ3 TRP 24 HZ3 TRP 24 -12.927 1.790 5.512 160 HH2 TRP 24 HH2 TRP 24 -13.758 1.272 7.749 161 H ALA 25 H ALA 25 -8.476 3.095 3.431 162 HA ALA 25 HA ALA 25 -6.550 2.735 1.384 163 HB1 ALA 25 3HB ALA 25 -8.733 4.757 1.803 164 HB2 ALA 25 1HB ALA 25 -7.674 4.786 0.393 165 HB3 ALA 25 2HB ALA 25 -8.703 3.385 0.695 166 H SER 26 H SER 26 -7.278 5.686 3.259 167 HA SER 26 HA SER 26 -5.228 7.287 2.518 168 HB2 SER 26 1HB SER 26 -6.193 6.942 5.368 169 HB3 SER 26 2HB SER 26 -5.349 8.351 4.726 170 HG SER 26 HG SER 26 -7.946 7.421 4.117 171 H CYS 27 H CYS 27 -5.026 5.029 5.274 172 HA CYS 27 HA CYS 27 -2.492 5.325 6.109 173 HB2 CYS 27 1HB CYS 27 -4.026 2.773 5.644 174 HB3 CYS 27 2HB CYS 27 -2.440 2.777 6.407 175 HG CYS 27 HG CYS 27 -4.647 2.568 8.263 176 H LEU 28 H LEU 28 -3.403 3.334 3.302 177 HA LEU 28 HA LEU 28 -0.762 2.641 2.586 178 HB2 LEU 28 1HB LEU 28 -2.398 1.263 1.692 179 HB3 LEU 28 2HB LEU 28 -3.398 2.620 1.178 180 HG LEU 28 HG LEU 28 -1.783 3.096 -0.623 181 HD11 LEU 28 1HD1 LEU 28 -0.313 0.906 0.723 182 HD12 LEU 28 2HD1 LEU 28 0.292 2.342 -0.101 183 HD13 LEU 28 3HD1 LEU 28 -0.261 0.954 -1.039 184 HD21 LEU 28 3HD2 LEU 28 -3.543 0.849 -0.406 185 HD22 LEU 28 1HD2 LEU 28 -2.184 0.437 -1.452 186 HD23 LEU 28 2HD2 LEU 28 -3.179 1.848 -1.814 187 H LEU 29 H LEU 29 -2.954 5.164 1.379 188 HA LEU 29 HA LEU 29 -1.464 6.240 -0.645 189 HB2 LEU 29 1HB LEU 29 -3.742 6.954 0.151 190 HB3 LEU 29 2HB LEU 29 -2.928 7.900 1.395 191 HG LEU 29 HG LEU 29 -2.589 8.308 -1.575 192 HD11 LEU 29 1HD1 LEU 29 -4.482 9.444 0.412 193 HD12 LEU 29 2HD1 LEU 29 -4.716 9.081 -1.298 194 HD13 LEU 29 3HD1 LEU 29 -3.815 10.519 -0.818 195 HD21 LEU 29 3HD2 LEU 29 -0.687 9.243 -0.761 196 HD22 LEU 29 1HD2 LEU 29 -1.364 9.494 0.848 197 HD23 LEU 29 2HD2 LEU 29 -1.783 10.593 -0.467 198 H LYS 30 H LYS 30 -1.204 7.029 2.812 199 HA LYS 30 HA LYS 30 0.810 8.951 2.614 200 HB2 LYS 30 1HB LYS 30 -0.400 8.670 4.673 201 HB3 LYS 30 2HB LYS 30 0.156 7.009 4.833 202 HG2 LYS 30 1HG LYS 30 2.295 7.647 5.454 203 HG3 LYS 30 2HG LYS 30 2.119 9.264 4.767 204 HD2 LYS 30 1HD LYS 30 1.944 9.675 7.038 205 HD3 LYS 30 2HD LYS 30 0.252 9.537 6.555 206 HE2 LYS 30 1HE LYS 30 0.342 7.133 7.235 207 HE3 LYS 30 2HE LYS 30 1.956 7.430 7.877 208 HZ1 LYS 30 3HZ LYS 30 0.084 9.347 8.838 209 HZ2 LYS 30 1HZ LYS 30 1.101 8.311 9.708 210 HZ3 LYS 30 2HZ LYS 30 -0.420 7.774 9.201 211 H HIS 31 H HIS 31 0.990 5.440 2.748 212 HA HIS 31 HA HIS 31 3.791 5.253 3.099 213 HB2 HIS 31 1HB HIS 31 2.747 3.258 3.594 214 HB3 HIS 31 2HB HIS 31 1.625 3.386 2.242 215 HD1 HIS 31 HD1 HIS 31 5.358 2.813 2.736 216 HD2 HIS 31 HD2 HIS 31 2.246 1.717 0.212 217 HE1 HIS 31 HE1 HIS 31 6.351 1.158 1.124 218 H GLN 32 H GLN 32 1.724 5.329 0.233 219 HA GLN 32 HA GLN 32 3.470 4.682 -1.763 220 HB2 GLN 32 1HB GLN 32 1.391 6.874 -1.751 221 HB3 GLN 32 2HB GLN 32 2.197 6.291 -3.202 222 HG2 GLN 32 1HG GLN 32 1.287 4.046 -2.778 223 HG3 GLN 32 2HG GLN 32 0.434 4.679 -1.371 224 HE21 GLN 32 1HE2 GLN 32 -1.606 4.291 -2.106 225 HE22 GLN 32 2HE2 GLN 32 -2.307 5.109 -3.456 226 H ARG 33 H ARG 33 3.506 7.512 0.238 227 HA ARG 33 HA ARG 33 4.882 9.371 -1.210 228 HB2 ARG 33 1HB ARG 33 5.205 8.599 1.690 229 HB3 ARG 33 2HB ARG 33 5.983 10.008 0.982 230 HG2 ARG 33 1HG ARG 33 3.730 10.848 0.340 231 HG3 ARG 33 2HG ARG 33 3.030 9.499 1.237 232 HD2 ARG 33 1HD ARG 33 4.736 11.732 2.325 233 HD3 ARG 33 2HD ARG 33 3.027 11.440 2.646 234 HE ARG 33 HE ARG 33 4.714 9.248 3.406 235 HH11 ARG 33 1HH1 ARG 33 3.413 12.320 4.402 236 HH12 ARG 33 2HH1 ARG 33 3.562 11.981 6.095 237 HH21 ARG 33 1HH2 ARG 33 4.914 8.790 5.632 238 HH22 ARG 33 2HH2 ARG 33 4.417 9.974 6.793 239 H VAL 34 H VAL 34 6.278 6.610 0.536 240 HA VAL 34 HA VAL 34 8.965 7.098 0.105 241 HB VAL 34 HB VAL 34 9.331 4.687 0.326 242 HG11 VAL 34 1HG1 VAL 34 7.562 4.521 2.400 243 HG12 VAL 34 2HG1 VAL 34 9.129 5.329 2.464 244 HG13 VAL 34 3HG1 VAL 34 7.667 6.262 2.145 245 HG21 VAL 34 3HG2 VAL 34 6.652 3.804 0.769 246 HG22 VAL 34 1HG2 VAL 34 6.766 4.517 -0.840 247 HG23 VAL 34 2HG2 VAL 34 7.842 3.197 -0.382 248 H HIS 35 H HIS 35 6.547 5.915 -2.112 249 HA HIS 35 HA HIS 35 8.537 5.221 -4.121 250 HB2 HIS 35 1HB HIS 35 5.515 5.100 -4.190 251 HB3 HIS 35 2HB HIS 35 6.575 4.540 -5.480 252 HD1 HIS 35 HD1 HIS 35 8.496 2.725 -4.362 253 HD2 HIS 35 HD2 HIS 35 4.704 3.020 -2.689 254 HE1 HIS 35 HE1 HIS 35 8.156 0.585 -3.086 255 H SER 36 H SER 36 6.166 7.707 -3.429 256 HA SER 36 HA SER 36 5.998 8.984 -5.879 257 HB2 SER 36 1HB SER 36 4.641 9.570 -3.882 258 HB3 SER 36 2HB SER 36 6.064 10.322 -3.163 259 HG SER 36 HG SER 36 5.585 12.033 -4.261 260 H GLY 37 H GLY 37 7.963 8.986 -6.969 261 HA2 GLY 37 1HA GLY 37 9.510 11.063 -7.278 262 HA3 GLY 37 2HA GLY 37 10.177 10.486 -5.759 263 H GLU 38 H GLU 38 12.210 10.212 -6.795 264 HA GLU 38 HA GLU 38 12.366 7.695 -8.295 265 HB2 GLU 38 1HB GLU 38 12.550 9.847 -9.739 266 HB3 GLU 38 2HB GLU 38 14.146 10.002 -9.018 267 HG2 GLU 38 1HG GLU 38 14.148 8.892 -11.226 268 HG3 GLU 38 2HG GLU 38 14.840 7.910 -9.936 269 H LYS 39 H LYS 39 13.583 6.337 -7.179 270 HA LYS 39 HA LYS 39 15.695 7.414 -5.442 271 HB2 LYS 39 1HB LYS 39 15.527 5.403 -4.153 272 HB3 LYS 39 2HB LYS 39 13.896 6.005 -4.415 273 HG2 LYS 39 1HG LYS 39 13.925 4.373 -6.449 274 HG3 LYS 39 2HG LYS 39 15.233 3.597 -5.552 275 HD2 LYS 39 1HD LYS 39 13.702 3.499 -3.574 276 HD3 LYS 39 2HD LYS 39 12.404 4.074 -4.623 277 HE2 LYS 39 1HE LYS 39 12.567 2.126 -6.001 278 HE3 LYS 39 2HE LYS 39 14.030 1.597 -5.172 279 HZ1 LYS 39 3HZ LYS 39 12.858 0.915 -3.343 280 HZ2 LYS 39 1HZ LYS 39 11.736 0.574 -4.563 281 HZ3 LYS 39 2HZ LYS 39 11.564 1.968 -3.621 282 HA PRO 40 HA PRO 40 18.827 5.771 -8.064 283 HB2 PRO 40 1HB PRO 40 20.830 5.529 -6.248 284 HB3 PRO 40 2HB PRO 40 20.295 7.088 -6.885 285 HG2 PRO 40 1HG PRO 40 19.603 5.764 -4.291 286 HG3 PRO 40 2HG PRO 40 20.008 7.461 -4.608 287 HD2 PRO 40 1HD PRO 40 17.458 6.607 -4.292 288 HD3 PRO 40 2HD PRO 40 17.888 7.958 -5.361 289 H SER 41 H SER 41 18.375 3.737 -8.746 290 HA SER 41 HA SER 41 19.651 1.536 -7.532 291 HB2 SER 41 1HB SER 41 17.822 0.245 -6.708 292 HB3 SER 41 2HB SER 41 17.658 1.847 -5.989 293 HG SER 41 HG SER 41 15.670 1.111 -6.810 294 H GLY 42 H GLY 42 19.974 -0.025 -9.019 295 HA2 GLY 42 1HA GLY 42 19.441 0.358 -11.700 296 HA3 GLY 42 2HA GLY 42 19.819 -1.203 -10.985 297 HA PRO 43 HA PRO 43 15.226 -0.692 -12.362 298 HB2 PRO 43 1HB PRO 43 15.360 -1.425 -14.973 299 HB3 PRO 43 2HB PRO 43 15.469 0.257 -14.440 300 HG2 PRO 43 1HG PRO 43 17.662 -1.637 -15.194 301 HG3 PRO 43 2HG PRO 43 17.467 0.074 -15.617 302 HD2 PRO 43 1HD PRO 43 19.120 -0.759 -13.640 303 HD3 PRO 43 2HD PRO 43 18.270 0.799 -13.581 304 H SER 44 H SER 44 14.682 -2.492 -11.212 305 HA SER 44 HA SER 44 15.159 -5.082 -12.527 306 HB2 SER 44 1HB SER 44 15.336 -4.472 -9.568 307 HB3 SER 44 2HB SER 44 15.308 -6.102 -10.240 308 HG SER 44 HG SER 44 17.166 -5.086 -11.584 309 H SER 45 H SER 45 13.160 -5.353 -13.392 310 HA SER 45 HA SER 45 10.743 -4.680 -12.066 311 HB2 SER 45 1HB SER 45 9.632 -5.844 -13.901 312 HB3 SER 45 2HB SER 45 10.945 -4.851 -14.532 313 HG SER 45 HG SER 45 10.798 -7.069 -15.354 314 H GLY 46 H GLY 46 12.426 -7.766 -12.601 315 HA2 GLY 46 1HA GLY 46 11.581 -8.844 -10.121 316 HA3 GLY 46 2HA GLY 46 10.568 -9.466 -11.415 Start of MODEL 9 1 H1 GLY 1 1H GLY 1 -7.308 -34.610 0.210 2 HA2 GLY 1 1HA GLY 1 -5.404 -33.474 1.735 3 HA3 GLY 1 2HA GLY 1 -4.503 -33.878 0.281 4 H SER 2 H SER 2 -6.479 -31.600 1.787 5 HA SER 2 HA SER 2 -6.313 -29.839 -0.481 6 HB2 SER 2 1HB SER 2 -8.639 -29.494 -0.861 7 HB3 SER 2 2HB SER 2 -8.398 -31.241 -0.881 8 HG SER 2 HG SER 2 -9.230 -31.356 1.189 9 H SER 3 H SER 3 -5.772 -27.938 0.336 10 HA SER 3 HA SER 3 -6.023 -27.357 3.116 11 HB2 SER 3 1HB SER 3 -5.048 -25.797 0.734 12 HB3 SER 3 2HB SER 3 -5.194 -25.041 2.321 13 HG SER 3 HG SER 3 -3.260 -26.652 1.396 14 H GLY 4 H GLY 4 -7.341 -25.679 0.249 15 HA2 GLY 4 1HA GLY 4 -9.220 -24.385 -0.008 16 HA3 GLY 4 2HA GLY 4 -9.969 -25.496 1.129 17 H SER 5 H SER 5 -7.299 -23.222 1.651 18 HA SER 5 HA SER 5 -8.908 -21.316 3.038 19 HB2 SER 5 1HB SER 5 -8.726 -23.280 4.666 20 HB3 SER 5 2HB SER 5 -7.014 -22.879 4.793 21 HG SER 5 HG SER 5 -8.310 -21.866 6.413 22 H SER 6 H SER 6 -7.936 -19.585 2.198 23 HA SER 6 HA SER 6 -5.020 -19.508 2.008 24 HB2 SER 6 1HB SER 6 -5.439 -17.409 0.687 25 HB3 SER 6 2HB SER 6 -6.159 -18.860 -0.011 26 HG SER 6 HG SER 6 -7.674 -17.204 -0.026 27 H GLY 7 H GLY 7 -5.897 -19.425 4.606 28 HA2 GLY 7 1HA GLY 7 -5.694 -18.219 6.549 29 HA3 GLY 7 2HA GLY 7 -4.609 -17.179 5.638 30 H THR 8 H THR 8 -8.118 -17.809 5.547 31 HA THR 8 HA THR 8 -9.074 -15.453 4.685 32 HB THR 8 HB THR 8 -10.746 -16.979 5.172 33 HG1 THR 8 HG1 THR 8 -11.834 -15.952 7.174 34 HG21 THR 8 3HG2 THR 8 -11.031 -17.782 7.637 35 HG22 THR 8 1HG2 THR 8 -9.339 -17.312 7.792 36 HG23 THR 8 2HG2 THR 8 -9.810 -18.535 6.612 37 H GLY 9 H GLY 9 -8.535 -13.430 5.173 38 HA2 GLY 9 1HA GLY 9 -9.044 -11.778 7.045 39 HA3 GLY 9 2HA GLY 9 -7.949 -12.777 7.989 40 H GLU 10 H GLU 10 -8.099 -10.871 4.992 41 HA GLU 10 HA GLU 10 -5.386 -9.917 5.568 42 HB2 GLU 10 1HB GLU 10 -5.601 -11.806 3.750 43 HB3 GLU 10 2HB GLU 10 -6.151 -10.482 2.732 44 HG2 GLU 10 1HG GLU 10 -3.998 -9.293 3.520 45 HG3 GLU 10 2HG GLU 10 -3.474 -10.911 3.984 46 H LYS 11 H LYS 11 -4.932 -7.829 4.865 47 HA LYS 11 HA LYS 11 -7.063 -6.016 4.828 48 HB2 LYS 11 1HB LYS 11 -4.183 -5.704 3.976 49 HB3 LYS 11 2HB LYS 11 -5.316 -4.361 4.061 50 HG2 LYS 11 1HG LYS 11 -5.377 -4.375 6.351 51 HG3 LYS 11 2HG LYS 11 -4.951 -6.084 6.461 52 HD2 LYS 11 1HD LYS 11 -2.667 -5.473 5.625 53 HD3 LYS 11 2HD LYS 11 -3.131 -3.777 5.786 54 HE2 LYS 11 1HE LYS 11 -3.797 -4.588 8.223 55 HE3 LYS 11 2HE LYS 11 -2.576 -5.813 7.880 56 HZ1 LYS 11 3HZ LYS 11 -0.967 -4.341 8.203 57 HZ2 LYS 11 1HZ LYS 11 -2.131 -3.255 8.776 58 HZ3 LYS 11 2HZ LYS 11 -1.669 -3.218 7.149 59 HA PRO 12 HA PRO 12 -8.456 -6.077 0.653 60 HB2 PRO 12 1HB PRO 12 -9.538 -3.591 0.518 61 HB3 PRO 12 2HB PRO 12 -10.293 -4.920 1.406 62 HG2 PRO 12 1HG PRO 12 -8.614 -2.666 2.437 63 HG3 PRO 12 2HG PRO 12 -10.106 -3.349 3.110 64 HD2 PRO 12 1HD PRO 12 -7.654 -3.970 4.076 65 HD3 PRO 12 2HD PRO 12 -9.003 -5.124 4.083 66 H TYR 13 H TYR 13 -6.642 -3.221 1.728 67 HA TYR 13 HA TYR 13 -5.820 -2.641 -1.002 68 HB2 TYR 13 1HB TYR 13 -4.987 -1.208 1.523 69 HB3 TYR 13 2HB TYR 13 -4.881 -0.613 -0.130 70 HD1 TYR 13 HD2 TYR 13 -6.894 0.136 -1.313 71 HD2 TYR 13 HD1 TYR 13 -7.066 -1.144 2.741 72 HE1 TYR 13 HE2 TYR 13 -9.110 1.179 -1.084 73 HE2 TYR 13 HE1 TYR 13 -9.283 -0.106 2.981 74 HH TYR 13 HH TYR 13 -10.526 2.096 0.809 75 H ASN 14 H ASN 14 -3.767 -2.850 -1.793 76 HA ASN 14 HA ASN 14 -1.623 -3.749 -0.045 77 HB2 ASN 14 1HB ASN 14 -1.158 -5.626 -1.792 78 HB3 ASN 14 2HB ASN 14 -2.370 -5.898 -0.543 79 HD21 ASN 14 1HD2 ASN 14 -4.045 -6.933 -1.321 80 HD22 ASN 14 2HD2 ASN 14 -4.770 -6.691 -2.870 81 H CYS 15 H CYS 15 0.126 -2.632 -0.570 82 HA CYS 15 HA CYS 15 0.284 -1.067 -2.936 83 HB2 CYS 15 1HB CYS 15 1.343 -0.507 -0.715 84 HB3 CYS 15 2HB CYS 15 2.550 -1.744 -1.055 85 H LYS 16 H LYS 16 1.032 -1.577 -4.883 86 HA LYS 16 HA LYS 16 2.152 -4.214 -5.330 87 HB2 LYS 16 1HB LYS 16 1.348 -1.996 -7.216 88 HB3 LYS 16 2HB LYS 16 2.025 -3.529 -7.749 89 HG2 LYS 16 1HG LYS 16 0.095 -4.608 -6.449 90 HG3 LYS 16 2HG LYS 16 -0.622 -2.995 -6.455 91 HD2 LYS 16 1HD LYS 16 -0.440 -2.964 -8.921 92 HD3 LYS 16 2HD LYS 16 0.184 -4.614 -8.872 93 HE2 LYS 16 1HE LYS 16 -1.858 -5.479 -8.106 94 HE3 LYS 16 2HE LYS 16 -2.453 -3.888 -7.635 95 HZ1 LYS 16 3HZ LYS 16 -3.310 -4.974 -9.797 96 HZ2 LYS 16 1HZ LYS 16 -1.845 -4.448 -10.460 97 HZ3 LYS 16 2HZ LYS 16 -2.927 -3.327 -9.802 98 H GLU 17 H GLU 17 3.179 -0.867 -5.379 99 HA GLU 17 HA GLU 17 5.508 -0.926 -6.799 100 HB2 GLU 17 1HB GLU 17 4.765 0.516 -4.272 101 HB3 GLU 17 2HB GLU 17 6.367 0.707 -4.970 102 HG2 GLU 17 1HG GLU 17 3.747 1.344 -6.303 103 HG3 GLU 17 2HG GLU 17 4.923 2.501 -5.682 104 H CYS 18 H CYS 18 5.371 -1.486 -3.275 105 HA CYS 18 HA CYS 18 7.908 -2.939 -3.467 106 HB2 CYS 18 1HB CYS 18 7.927 -2.739 -0.978 107 HB3 CYS 18 2HB CYS 18 7.902 -1.188 -1.810 108 H GLY 19 H GLY 19 4.594 -3.289 -2.271 109 HA2 GLY 19 1HA GLY 19 3.505 -5.446 -2.641 110 HA3 GLY 19 2HA GLY 19 5.033 -6.209 -2.229 111 H LYS 20 H LYS 20 3.212 -3.610 -0.627 112 HA LYS 20 HA LYS 20 3.253 -5.237 1.827 113 HB2 LYS 20 1HB LYS 20 3.454 -2.296 1.329 114 HB3 LYS 20 2HB LYS 20 2.761 -2.855 2.846 115 HG2 LYS 20 1HG LYS 20 4.802 -4.102 3.326 116 HG3 LYS 20 2HG LYS 20 5.497 -3.555 1.799 117 HD2 LYS 20 1HD LYS 20 6.399 -2.067 3.335 118 HD3 LYS 20 2HD LYS 20 5.009 -1.179 2.705 119 HE2 LYS 20 1HE LYS 20 3.688 -1.921 4.647 120 HE3 LYS 20 2HE LYS 20 5.110 -2.749 5.280 121 HZ1 LYS 20 3HZ LYS 20 4.477 0.085 5.248 122 HZ2 LYS 20 1HZ LYS 20 6.089 -0.307 4.916 123 HZ3 LYS 20 2HZ LYS 20 5.377 -0.812 6.365 124 H SER 21 H SER 21 1.408 -4.298 3.387 125 HA SER 21 HA SER 21 -1.092 -4.181 1.837 126 HB2 SER 21 1HB SER 21 -0.457 -5.935 4.212 127 HB3 SER 21 2HB SER 21 -2.108 -5.594 3.697 128 HG SER 21 HG SER 21 -1.010 -7.555 2.831 129 H PHE 22 H PHE 22 -2.895 -3.217 2.959 130 HA PHE 22 HA PHE 22 -2.332 -1.748 5.399 131 HB2 PHE 22 1HB PHE 22 -2.942 -0.381 2.775 132 HB3 PHE 22 2HB PHE 22 -3.111 0.408 4.340 133 HD1 PHE 22 HD2 PHE 22 -0.644 -1.322 2.171 134 HD2 PHE 22 HD1 PHE 22 -1.291 1.453 5.332 135 HE1 PHE 22 HE2 PHE 22 1.736 -0.703 2.109 136 HE2 PHE 22 HE1 PHE 22 1.089 2.078 5.275 137 HZ PHE 22 HZ PHE 22 2.606 0.998 3.663 138 H ARG 23 H ARG 23 -4.105 -1.528 6.635 139 HA ARG 23 HA ARG 23 -6.605 -2.601 5.608 140 HB2 ARG 23 1HB ARG 23 -5.431 -3.067 7.932 141 HB3 ARG 23 2HB ARG 23 -6.304 -1.617 8.410 142 HG2 ARG 23 1HG ARG 23 -8.385 -2.762 7.501 143 HG3 ARG 23 2HG ARG 23 -7.416 -4.237 7.468 144 HD2 ARG 23 1HD ARG 23 -8.447 -4.353 9.539 145 HD3 ARG 23 2HD ARG 23 -6.876 -3.653 9.928 146 HE ARG 23 HE ARG 23 -8.927 -1.701 9.426 147 HH11 ARG 23 1HH1 ARG 23 -7.435 -3.744 11.817 148 HH12 ARG 23 2HH1 ARG 23 -7.927 -2.759 13.155 149 HH21 ARG 23 1HH2 ARG 23 -9.580 -0.396 11.179 150 HH22 ARG 23 2HH2 ARG 23 -9.148 -0.855 12.791 151 H TRP 24 H TRP 24 -5.783 -0.049 4.607 152 HA TRP 24 HA TRP 24 -8.196 1.386 4.901 153 HB2 TRP 24 1HB TRP 24 -5.897 2.211 6.605 154 HB3 TRP 24 2HB TRP 24 -6.836 3.485 5.832 155 HD1 TRP 24 HD1 TRP 24 -6.735 1.620 8.938 156 HE1 TRP 24 HE1 TRP 24 -8.987 1.723 10.180 157 HE3 TRP 24 HE3 TRP 24 -9.679 3.358 5.137 158 HZ2 TRP 24 HZ2 TRP 24 -11.658 2.445 9.622 159 HZ3 TRP 24 HZ3 TRP 24 -12.072 3.727 5.574 160 HH2 TRP 24 HH2 TRP 24 -13.040 3.279 7.770 161 H ALA 25 H ALA 25 -8.394 3.053 3.397 162 HA ALA 25 HA ALA 25 -6.688 2.878 1.138 163 HB1 ALA 25 3HB ALA 25 -8.065 4.851 0.331 164 HB2 ALA 25 1HB ALA 25 -8.949 3.373 0.711 165 HB3 ALA 25 2HB ALA 25 -8.953 4.721 1.849 166 H SER 26 H SER 26 -7.125 5.337 3.656 167 HA SER 26 HA SER 26 -5.313 7.214 2.574 168 HB2 SER 26 1HB SER 26 -6.302 6.794 5.401 169 HB3 SER 26 2HB SER 26 -5.309 8.164 4.907 170 HG SER 26 HG SER 26 -7.237 8.985 4.553 171 H CYS 27 H CYS 27 -4.922 4.831 5.193 172 HA CYS 27 HA CYS 27 -2.331 5.280 5.920 173 HB2 CYS 27 1HB CYS 27 -4.091 3.436 6.639 174 HB3 CYS 27 2HB CYS 27 -3.162 2.439 5.527 175 HG CYS 27 HG CYS 27 -0.777 3.581 7.110 176 H LEU 28 H LEU 28 -3.398 3.176 3.254 177 HA LEU 28 HA LEU 28 -0.849 2.416 2.381 178 HB2 LEU 28 1HB LEU 28 -2.571 1.135 1.524 179 HB3 LEU 28 2HB LEU 28 -3.547 2.543 1.110 180 HG LEU 28 HG LEU 28 -2.051 3.012 -0.779 181 HD11 LEU 28 1HD1 LEU 28 -0.558 0.713 0.380 182 HD12 LEU 28 2HD1 LEU 28 0.044 2.218 -0.313 183 HD13 LEU 28 3HD1 LEU 28 -0.554 0.938 -1.369 184 HD21 LEU 28 3HD2 LEU 28 -2.777 0.145 -1.102 185 HD22 LEU 28 1HD2 LEU 28 -3.052 1.512 -2.183 186 HD23 LEU 28 2HD2 LEU 28 -4.060 1.304 -0.750 187 H LEU 29 H LEU 29 -2.920 5.119 1.392 188 HA LEU 29 HA LEU 29 -1.400 6.119 -0.697 189 HB2 LEU 29 1HB LEU 29 -3.153 7.473 1.330 190 HB3 LEU 29 2HB LEU 29 -2.364 8.371 0.035 191 HG LEU 29 HG LEU 29 -4.315 6.108 -0.381 192 HD11 LEU 29 1HD1 LEU 29 -5.418 8.452 -1.350 193 HD12 LEU 29 2HD1 LEU 29 -4.718 8.917 0.201 194 HD13 LEU 29 3HD1 LEU 29 -5.887 7.599 0.121 195 HD21 LEU 29 3HD2 LEU 29 -3.882 7.982 -2.554 196 HD22 LEU 29 1HD2 LEU 29 -3.845 6.219 -2.556 197 HD23 LEU 29 2HD2 LEU 29 -2.406 7.130 -2.099 198 H LYS 30 H LYS 30 -1.321 7.274 2.680 199 HA LYS 30 HA LYS 30 0.753 9.033 2.553 200 HB2 LYS 30 1HB LYS 30 0.132 7.055 4.751 201 HB3 LYS 30 2HB LYS 30 1.258 8.394 4.928 202 HG2 LYS 30 1HG LYS 30 -0.613 9.946 4.372 203 HG3 LYS 30 2HG LYS 30 -1.703 8.558 4.419 204 HD2 LYS 30 1HD LYS 30 -1.850 9.563 6.550 205 HD3 LYS 30 2HD LYS 30 -0.836 8.133 6.764 206 HE2 LYS 30 1HE LYS 30 0.204 9.909 7.952 207 HE3 LYS 30 2HE LYS 30 1.160 9.634 6.497 208 HZ1 LYS 30 3HZ LYS 30 0.096 12.022 7.337 209 HZ2 LYS 30 1HZ LYS 30 -0.884 11.556 6.039 210 HZ3 LYS 30 2HZ LYS 30 0.787 11.700 5.827 211 H HIS 31 H HIS 31 0.982 5.514 2.779 212 HA HIS 31 HA HIS 31 3.778 5.361 3.088 213 HB2 HIS 31 1HB HIS 31 2.754 3.357 3.593 214 HB3 HIS 31 2HB HIS 31 1.632 3.467 2.240 215 HD1 HIS 31 HD1 HIS 31 5.300 2.743 2.887 216 HD2 HIS 31 HD2 HIS 31 2.342 1.988 0.069 217 HE1 HIS 31 HE1 HIS 31 6.329 1.140 1.245 218 H GLN 32 H GLN 32 1.718 5.247 0.200 219 HA GLN 32 HA GLN 32 3.457 4.654 -1.782 220 HB2 GLN 32 1HB GLN 32 1.399 6.867 -1.810 221 HB3 GLN 32 2HB GLN 32 2.176 6.212 -3.245 222 HG2 GLN 32 1HG GLN 32 1.223 4.011 -2.743 223 HG3 GLN 32 2HG GLN 32 0.419 4.694 -1.331 224 HE21 GLN 32 1HE2 GLN 32 -1.666 4.527 -1.879 225 HE22 GLN 32 2HE2 GLN 32 -2.381 5.246 -3.278 226 H ARG 33 H ARG 33 3.526 7.475 0.217 227 HA ARG 33 HA ARG 33 4.950 9.278 -1.323 228 HB2 ARG 33 1HB ARG 33 4.878 8.729 1.626 229 HB3 ARG 33 2HB ARG 33 5.970 9.945 0.978 230 HG2 ARG 33 1HG ARG 33 3.938 10.984 -0.120 231 HG3 ARG 33 2HG ARG 33 2.971 9.907 0.890 232 HD2 ARG 33 1HD ARG 33 3.917 10.867 2.892 233 HD3 ARG 33 2HD ARG 33 5.018 11.858 1.936 234 HE ARG 33 HE ARG 33 2.310 12.446 2.566 235 HH11 ARG 33 1HH1 ARG 33 4.720 12.793 0.078 236 HH12 ARG 33 2HH1 ARG 33 4.008 14.222 -0.595 237 HH21 ARG 33 1HH2 ARG 33 1.363 14.327 1.690 238 HH22 ARG 33 2HH2 ARG 33 2.099 15.094 0.323 239 H VAL 34 H VAL 34 6.172 6.607 0.661 240 HA VAL 34 HA VAL 34 8.887 7.044 0.479 241 HB VAL 34 HB VAL 34 9.172 4.588 0.685 242 HG11 VAL 34 1HG1 VAL 34 7.164 5.978 2.436 243 HG12 VAL 34 2HG1 VAL 34 7.790 4.370 2.805 244 HG13 VAL 34 3HG1 VAL 34 8.889 5.747 2.716 245 HG21 VAL 34 3HG2 VAL 34 7.618 3.160 -0.012 246 HG22 VAL 34 1HG2 VAL 34 6.418 3.889 1.054 247 HG23 VAL 34 2HG2 VAL 34 6.658 4.529 -0.572 248 H HIS 35 H HIS 35 6.687 6.030 -1.992 249 HA HIS 35 HA HIS 35 8.849 5.213 -3.774 250 HB2 HIS 35 1HB HIS 35 5.848 5.210 -4.153 251 HB3 HIS 35 2HB HIS 35 7.009 4.623 -5.339 252 HD1 HIS 35 HD1 HIS 35 8.691 2.670 -4.185 253 HD2 HIS 35 HD2 HIS 35 4.872 3.207 -2.640 254 HE1 HIS 35 HE1 HIS 35 8.163 0.547 -2.945 255 H SER 36 H SER 36 6.598 7.830 -3.260 256 HA SER 36 HA SER 36 7.368 9.117 -5.764 257 HB2 SER 36 1HB SER 36 4.967 9.063 -4.922 258 HB3 SER 36 2HB SER 36 5.475 10.199 -3.673 259 HG SER 36 HG SER 36 4.701 11.380 -5.391 260 H GLY 37 H GLY 37 9.506 9.698 -5.386 261 HA2 GLY 37 1HA GLY 37 9.890 11.736 -3.279 262 HA3 GLY 37 2HA GLY 37 11.144 10.603 -3.762 263 H GLU 38 H GLU 38 12.646 11.419 -5.046 264 HA GLU 38 HA GLU 38 12.104 13.904 -6.471 265 HB2 GLU 38 1HB GLU 38 14.675 12.387 -5.997 266 HB3 GLU 38 2HB GLU 38 14.564 13.905 -6.877 267 HG2 GLU 38 1HG GLU 38 13.985 15.110 -4.958 268 HG3 GLU 38 2HG GLU 38 13.583 13.648 -4.058 269 H LYS 39 H LYS 39 11.115 13.573 -8.371 270 HA LYS 39 HA LYS 39 12.074 11.409 -10.109 271 HB2 LYS 39 1HB LYS 39 9.993 11.749 -11.373 272 HB3 LYS 39 2HB LYS 39 9.674 11.407 -9.677 273 HG2 LYS 39 1HG LYS 39 9.540 13.953 -9.394 274 HG3 LYS 39 2HG LYS 39 9.405 13.998 -11.154 275 HD2 LYS 39 1HD LYS 39 7.374 12.849 -11.146 276 HD3 LYS 39 2HD LYS 39 7.629 12.221 -9.516 277 HE2 LYS 39 1HE LYS 39 6.015 13.892 -9.249 278 HE3 LYS 39 2HE LYS 39 7.523 14.662 -8.759 279 HZ1 LYS 39 3HZ LYS 39 5.763 15.623 -10.599 280 HZ2 LYS 39 1HZ LYS 39 6.994 14.964 -11.555 281 HZ3 LYS 39 2HZ LYS 39 7.361 16.139 -10.395 282 HA PRO 40 HA PRO 40 14.120 14.256 -12.770 283 HB2 PRO 40 1HB PRO 40 14.095 12.804 -15.063 284 HB3 PRO 40 2HB PRO 40 15.148 12.422 -13.696 285 HG2 PRO 40 1HG PRO 40 12.535 11.188 -14.476 286 HG3 PRO 40 2HG PRO 40 14.022 10.400 -13.917 287 HD2 PRO 40 1HD PRO 40 11.905 10.842 -12.287 288 HD3 PRO 40 2HD PRO 40 13.581 10.859 -11.702 289 H SER 41 H SER 41 13.373 16.030 -13.733 290 HA SER 41 HA SER 41 10.906 15.830 -15.334 291 HB2 SER 41 1HB SER 41 11.827 17.957 -13.414 292 HB3 SER 41 2HB SER 41 10.652 18.319 -14.679 293 HG SER 41 HG SER 41 9.382 16.570 -13.809 294 H GLY 42 H GLY 42 10.857 16.799 -17.315 295 HA2 GLY 42 1HA GLY 42 13.363 18.103 -18.186 296 HA3 GLY 42 2HA GLY 42 12.443 17.013 -19.213 297 HA PRO 43 HA PRO 43 11.215 21.483 -19.980 298 HB2 PRO 43 1HB PRO 43 11.902 21.530 -22.607 299 HB3 PRO 43 2HB PRO 43 13.030 21.946 -21.311 300 HG2 PRO 43 1HG PRO 43 12.745 19.377 -22.821 301 HG3 PRO 43 2HG PRO 43 14.221 20.242 -22.352 302 HD2 PRO 43 1HD PRO 43 13.293 18.096 -20.986 303 HD3 PRO 43 2HD PRO 43 14.164 19.427 -20.197 304 H SER 44 H SER 44 10.305 18.408 -20.783 305 HA SER 44 HA SER 44 8.411 18.976 -22.861 306 HB2 SER 44 1HB SER 44 7.665 16.668 -22.529 307 HB3 SER 44 2HB SER 44 9.426 16.739 -22.598 308 HG SER 44 HG SER 44 7.803 15.927 -20.574 309 H SER 45 H SER 45 7.782 20.865 -21.199 310 HA SER 45 HA SER 45 5.646 19.950 -19.420 311 HB2 SER 45 1HB SER 45 7.427 21.665 -18.723 312 HB3 SER 45 2HB SER 45 6.563 22.803 -19.758 313 HG SER 45 HG SER 45 4.667 21.874 -18.395 314 H GLY 46 H GLY 46 6.087 22.544 -21.838 315 HA2 GLY 46 1HA GLY 46 4.665 23.292 -23.491 316 HA3 GLY 46 2HA GLY 46 3.679 21.864 -23.215 Start of MODEL 10 1 H1 GLY 1 1H GLY 1 -11.578 -22.973 4.427 2 HA2 GLY 1 1HA GLY 1 -10.581 -24.780 2.690 3 HA3 GLY 1 2HA GLY 1 -12.310 -25.071 2.572 4 H SER 2 H SER 2 -10.225 -22.182 2.757 5 HA SER 2 HA SER 2 -11.780 -21.046 0.533 6 HB2 SER 2 1HB SER 2 -10.979 -18.847 1.322 7 HB3 SER 2 2HB SER 2 -11.847 -19.715 2.588 8 HG SER 2 HG SER 2 -9.040 -19.434 2.299 9 H SER 3 H SER 3 -10.579 -22.155 -1.077 10 HA SER 3 HA SER 3 -8.767 -22.617 -2.425 11 HB2 SER 3 1HB SER 3 -7.906 -20.588 -3.506 12 HB3 SER 3 2HB SER 3 -9.653 -20.485 -3.288 13 HG SER 3 HG SER 3 -9.132 -18.631 -2.415 14 H GLY 4 H GLY 4 -8.065 -22.993 0.268 15 HA2 GLY 4 1HA GLY 4 -6.063 -23.546 1.312 16 HA3 GLY 4 2HA GLY 4 -5.199 -22.670 0.057 17 H SER 5 H SER 5 -3.916 -21.976 1.963 18 HA SER 5 HA SER 5 -4.828 -19.375 2.825 19 HB2 SER 5 1HB SER 5 -4.519 -21.670 4.739 20 HB3 SER 5 2HB SER 5 -4.207 -20.018 5.271 21 HG SER 5 HG SER 5 -6.500 -21.133 5.252 22 H SER 6 H SER 6 -3.102 -18.264 4.149 23 HA SER 6 HA SER 6 -0.451 -19.260 4.178 24 HB2 SER 6 1HB SER 6 0.568 -18.099 2.389 25 HB3 SER 6 2HB SER 6 -0.881 -18.816 1.685 26 HG SER 6 HG SER 6 -1.793 -16.604 2.406 27 H GLY 7 H GLY 7 0.599 -18.192 5.727 28 HA2 GLY 7 1HA GLY 7 1.066 -16.616 7.329 29 HA3 GLY 7 2HA GLY 7 0.749 -15.440 6.063 30 H THR 8 H THR 8 0.123 -14.458 8.342 31 HA THR 8 HA THR 8 -2.776 -14.882 8.677 32 HB THR 8 HB THR 8 -0.860 -13.904 10.801 33 HG1 THR 8 HG1 THR 8 -2.175 -16.418 10.755 34 HG21 THR 8 3HG2 THR 8 -3.738 -13.936 10.571 35 HG22 THR 8 1HG2 THR 8 -2.723 -13.221 11.823 36 HG23 THR 8 2HG2 THR 8 -3.205 -14.913 11.938 37 H GLY 9 H GLY 9 -3.895 -13.245 7.851 38 HA2 GLY 9 1HA GLY 9 -4.274 -10.778 8.500 39 HA3 GLY 9 2HA GLY 9 -2.668 -10.569 7.819 40 H GLU 10 H GLU 10 -5.886 -10.310 7.172 41 HA GLU 10 HA GLU 10 -5.422 -10.567 4.273 42 HB2 GLU 10 1HB GLU 10 -7.959 -10.947 4.169 43 HB3 GLU 10 2HB GLU 10 -6.956 -12.276 4.733 44 HG2 GLU 10 1HG GLU 10 -7.464 -11.456 7.083 45 HG3 GLU 10 2HG GLU 10 -8.713 -10.456 6.342 46 H LYS 11 H LYS 11 -5.038 -8.496 3.707 47 HA LYS 11 HA LYS 11 -6.987 -6.459 4.559 48 HB2 LYS 11 1HB LYS 11 -4.069 -6.303 3.877 49 HB3 LYS 11 2HB LYS 11 -5.089 -4.878 3.729 50 HG2 LYS 11 1HG LYS 11 -5.397 -4.690 5.987 51 HG3 LYS 11 2HG LYS 11 -5.146 -6.413 6.276 52 HD2 LYS 11 1HD LYS 11 -2.769 -6.166 5.888 53 HD3 LYS 11 2HD LYS 11 -2.986 -4.465 5.469 54 HE2 LYS 11 1HE LYS 11 -3.338 -3.834 7.645 55 HE3 LYS 11 2HE LYS 11 -3.964 -5.414 8.116 56 HZ1 LYS 11 3HZ LYS 11 -1.954 -6.053 8.760 57 HZ2 LYS 11 1HZ LYS 11 -1.433 -4.456 8.561 58 HZ3 LYS 11 2HZ LYS 11 -1.240 -5.571 7.304 59 HA PRO 12 HA PRO 12 -8.411 -6.147 0.405 60 HB2 PRO 12 1HB PRO 12 -9.408 -3.623 0.478 61 HB3 PRO 12 2HB PRO 12 -10.202 -4.992 1.264 62 HG2 PRO 12 1HG PRO 12 -8.441 -2.885 2.455 63 HG3 PRO 12 2HG PRO 12 -9.950 -3.569 3.086 64 HD2 PRO 12 1HD PRO 12 -7.514 -4.347 3.976 65 HD3 PRO 12 2HD PRO 12 -8.902 -5.452 3.905 66 H TYR 13 H TYR 13 -6.611 -3.335 1.647 67 HA TYR 13 HA TYR 13 -5.715 -2.666 -1.038 68 HB2 TYR 13 1HB TYR 13 -4.943 -1.309 1.546 69 HB3 TYR 13 2HB TYR 13 -4.832 -0.657 -0.085 70 HD1 TYR 13 HD2 TYR 13 -6.829 0.135 -1.248 71 HD2 TYR 13 HD1 TYR 13 -7.050 -1.348 2.734 72 HE1 TYR 13 HE2 TYR 13 -9.061 1.138 -1.005 73 HE2 TYR 13 HE1 TYR 13 -9.283 -0.350 2.988 74 HH TYR 13 HH TYR 13 -10.468 1.938 1.391 75 H ASN 14 H ASN 14 -3.759 -3.107 -1.854 76 HA ASN 14 HA ASN 14 -1.600 -3.938 -0.065 77 HB2 ASN 14 1HB ASN 14 -2.203 -5.559 -2.529 78 HB3 ASN 14 2HB ASN 14 -1.176 -5.980 -1.161 79 HD21 ASN 14 1HD2 ASN 14 -2.010 -7.189 0.395 80 HD22 ASN 14 2HD2 ASN 14 -3.688 -7.549 0.598 81 H CYS 15 H CYS 15 -0.000 -2.583 -0.516 82 HA CYS 15 HA CYS 15 0.254 -1.018 -2.797 83 HB2 CYS 15 1HB CYS 15 1.427 -0.709 -0.573 84 HB3 CYS 15 2HB CYS 15 2.569 -1.944 -1.093 85 H LYS 16 H LYS 16 1.083 -1.311 -4.777 86 HA LYS 16 HA LYS 16 1.990 -3.988 -5.488 87 HB2 LYS 16 1HB LYS 16 1.155 -1.587 -7.109 88 HB3 LYS 16 2HB LYS 16 1.872 -3.014 -7.847 89 HG2 LYS 16 1HG LYS 16 0.040 -4.336 -7.395 90 HG3 LYS 16 2HG LYS 16 -0.506 -3.307 -6.068 91 HD2 LYS 16 1HD LYS 16 -2.029 -2.882 -7.795 92 HD3 LYS 16 2HD LYS 16 -0.904 -1.524 -7.865 93 HE2 LYS 16 1HE LYS 16 -1.290 -2.280 -10.099 94 HE3 LYS 16 2HE LYS 16 0.348 -2.748 -9.642 95 HZ1 LYS 16 3HZ LYS 16 -2.008 -4.552 -9.543 96 HZ2 LYS 16 1HZ LYS 16 -0.399 -4.978 -9.241 97 HZ3 LYS 16 2HZ LYS 16 -0.874 -4.520 -10.798 98 H GLU 17 H GLU 17 3.226 -0.788 -5.045 99 HA GLU 17 HA GLU 17 5.521 -0.855 -6.620 100 HB2 GLU 17 1HB GLU 17 4.775 0.561 -4.093 101 HB3 GLU 17 2HB GLU 17 6.438 0.640 -4.659 102 HG2 GLU 17 1HG GLU 17 5.133 2.558 -5.404 103 HG3 GLU 17 2HG GLU 17 5.709 1.593 -6.762 104 H CYS 18 H CYS 18 5.459 -1.408 -3.096 105 HA CYS 18 HA CYS 18 7.904 -2.983 -3.335 106 HB2 CYS 18 1HB CYS 18 7.895 -2.897 -0.841 107 HB3 CYS 18 2HB CYS 18 7.917 -1.309 -1.599 108 H GLY 19 H GLY 19 4.550 -3.308 -2.273 109 HA2 GLY 19 1HA GLY 19 3.412 -5.407 -2.722 110 HA3 GLY 19 2HA GLY 19 4.917 -6.235 -2.350 111 H LYS 20 H LYS 20 3.318 -3.631 -0.556 112 HA LYS 20 HA LYS 20 3.303 -5.381 1.800 113 HB2 LYS 20 1HB LYS 20 3.420 -2.417 1.413 114 HB3 LYS 20 2HB LYS 20 2.769 -3.058 2.915 115 HG2 LYS 20 1HG LYS 20 4.901 -4.370 3.153 116 HG3 LYS 20 2HG LYS 20 5.532 -3.436 1.795 117 HD2 LYS 20 1HD LYS 20 5.363 -1.401 3.003 118 HD3 LYS 20 2HD LYS 20 4.402 -2.157 4.276 119 HE2 LYS 20 1HE LYS 20 6.239 -3.279 5.162 120 HE3 LYS 20 2HE LYS 20 7.175 -3.118 3.677 121 HZ1 LYS 20 3HZ LYS 20 6.405 -0.755 5.275 122 HZ2 LYS 20 1HZ LYS 20 7.636 -0.894 4.123 123 HZ3 LYS 20 2HZ LYS 20 7.802 -1.641 5.631 124 H SER 21 H SER 21 1.440 -4.374 3.395 125 HA SER 21 HA SER 21 -1.067 -4.358 1.857 126 HB2 SER 21 1HB SER 21 -0.619 -5.933 4.403 127 HB3 SER 21 2HB SER 21 -2.097 -5.886 3.442 128 HG SER 21 HG SER 21 -0.435 -7.690 3.163 129 H PHE 22 H PHE 22 -2.869 -3.382 2.937 130 HA PHE 22 HA PHE 22 -2.344 -1.899 5.380 131 HB2 PHE 22 1HB PHE 22 -3.038 -0.525 2.776 132 HB3 PHE 22 2HB PHE 22 -3.063 0.252 4.355 133 HD1 PHE 22 HD2 PHE 22 -0.829 -1.506 1.971 134 HD2 PHE 22 HD1 PHE 22 -1.136 1.216 5.229 135 HE1 PHE 22 HE2 PHE 22 1.557 -0.953 1.730 136 HE2 PHE 22 HE1 PHE 22 1.248 1.774 4.992 137 HZ PHE 22 HZ PHE 22 2.599 0.688 3.242 138 H ARG 23 H ARG 23 -4.238 -1.101 6.395 139 HA ARG 23 HA ARG 23 -6.611 -2.622 5.694 140 HB2 ARG 23 1HB ARG 23 -5.603 -2.276 8.070 141 HB3 ARG 23 2HB ARG 23 -6.430 -0.725 8.012 142 HG2 ARG 23 1HG ARG 23 -8.551 -1.752 7.858 143 HG3 ARG 23 2HG ARG 23 -7.838 -3.334 7.532 144 HD2 ARG 23 1HD ARG 23 -6.703 -2.955 9.864 145 HD3 ARG 23 2HD ARG 23 -8.037 -1.827 10.099 146 HE ARG 23 HE ARG 23 -9.255 -4.096 9.241 147 HH11 ARG 23 1HH1 ARG 23 -7.022 -3.368 11.810 148 HH12 ARG 23 2HH1 ARG 23 -7.615 -4.617 12.855 149 HH21 ARG 23 1HH2 ARG 23 -10.045 -5.742 10.607 150 HH22 ARG 23 2HH2 ARG 23 -9.334 -5.967 12.170 151 H TRP 24 H TRP 24 -5.889 0.787 6.464 152 HA TRP 24 HA TRP 24 -8.354 1.588 5.115 153 HB2 TRP 24 1HB TRP 24 -6.390 3.129 6.820 154 HB3 TRP 24 2HB TRP 24 -7.791 3.857 6.038 155 HD1 TRP 24 HD1 TRP 24 -6.800 2.448 9.244 156 HE1 TRP 24 HE1 TRP 24 -8.850 1.830 10.672 157 HE3 TRP 24 HE3 TRP 24 -10.403 2.658 5.624 158 HZ2 TRP 24 HZ2 TRP 24 -11.627 1.477 10.311 159 HZ3 TRP 24 HZ3 TRP 24 -12.732 2.166 6.248 160 HH2 TRP 24 HH2 TRP 24 -13.329 1.587 8.543 161 H ALA 25 H ALA 25 -8.415 2.958 3.351 162 HA ALA 25 HA ALA 25 -6.460 2.700 1.403 163 HB1 ALA 25 3HB ALA 25 -8.856 3.402 1.082 164 HB2 ALA 25 1HB ALA 25 -8.365 5.023 1.574 165 HB3 ALA 25 2HB ALA 25 -7.669 4.292 0.127 166 H SER 26 H SER 26 -7.165 5.638 3.308 167 HA SER 26 HA SER 26 -5.134 7.252 2.443 168 HB2 SER 26 1HB SER 26 -5.219 8.322 4.709 169 HB3 SER 26 2HB SER 26 -6.805 8.088 3.973 170 HG SER 26 HG SER 26 -6.665 5.977 5.248 171 H CYS 27 H CYS 27 -4.959 4.890 5.095 172 HA CYS 27 HA CYS 27 -2.388 5.308 5.962 173 HB2 CYS 27 1HB CYS 27 -4.232 3.573 6.690 174 HB3 CYS 27 2HB CYS 27 -3.339 2.491 5.628 175 HG CYS 27 HG CYS 27 -1.085 2.355 7.065 176 H LEU 28 H LEU 28 -3.455 3.416 3.172 177 HA LEU 28 HA LEU 28 -0.841 2.493 2.493 178 HB2 LEU 28 1HB LEU 28 -2.497 1.127 1.662 179 HB3 LEU 28 2HB LEU 28 -3.518 2.481 1.182 180 HG LEU 28 HG LEU 28 -2.044 2.915 -0.724 181 HD11 LEU 28 1HD1 LEU 28 -0.420 0.815 0.592 182 HD12 LEU 28 2HD1 LEU 28 0.085 2.256 -0.290 183 HD13 LEU 28 3HD1 LEU 28 -0.462 0.830 -1.172 184 HD21 LEU 28 3HD2 LEU 28 -3.987 1.269 -0.778 185 HD22 LEU 28 1HD2 LEU 28 -2.764 -0.001 -0.731 186 HD23 LEU 28 2HD2 LEU 28 -2.793 1.145 -2.072 187 H LEU 29 H LEU 29 -2.925 5.113 1.333 188 HA LEU 29 HA LEU 29 -1.398 6.016 -0.794 189 HB2 LEU 29 1HB LEU 29 -3.703 6.787 0.105 190 HB3 LEU 29 2HB LEU 29 -2.761 7.931 1.059 191 HG LEU 29 HG LEU 29 -2.681 7.758 -1.952 192 HD11 LEU 29 1HD1 LEU 29 -3.850 10.164 -1.103 193 HD12 LEU 29 2HD1 LEU 29 -4.669 8.877 -0.219 194 HD13 LEU 29 3HD1 LEU 29 -4.615 8.840 -1.982 195 HD21 LEU 29 3HD2 LEU 29 -0.726 8.812 -1.424 196 HD22 LEU 29 1HD2 LEU 29 -1.345 9.442 0.102 197 HD23 LEU 29 2HD2 LEU 29 -1.819 10.197 -1.420 198 H LYS 30 H LYS 30 -1.326 7.276 2.544 199 HA LYS 30 HA LYS 30 0.753 9.052 2.309 200 HB2 LYS 30 1HB LYS 30 -0.662 8.667 4.344 201 HB3 LYS 30 2HB LYS 30 0.311 7.242 4.689 202 HG2 LYS 30 1HG LYS 30 1.666 9.870 4.320 203 HG3 LYS 30 2HG LYS 30 0.833 9.527 5.838 204 HD2 LYS 30 1HD LYS 30 2.175 7.302 5.769 205 HD3 LYS 30 2HD LYS 30 3.209 8.165 4.627 206 HE2 LYS 30 1HE LYS 30 4.124 8.399 6.837 207 HE3 LYS 30 2HE LYS 30 3.490 9.959 6.316 208 HZ1 LYS 30 3HZ LYS 30 2.957 9.182 8.668 209 HZ2 LYS 30 1HZ LYS 30 1.860 8.114 7.948 210 HZ3 LYS 30 2HZ LYS 30 1.678 9.782 7.739 211 H HIS 31 H HIS 31 0.928 5.557 2.778 212 HA HIS 31 HA HIS 31 3.699 5.367 3.199 213 HB2 HIS 31 1HB HIS 31 2.590 3.410 3.733 214 HB3 HIS 31 2HB HIS 31 1.569 3.473 2.299 215 HD1 HIS 31 HD1 HIS 31 5.243 2.891 3.111 216 HD2 HIS 31 HD2 HIS 31 2.333 1.726 0.384 217 HE1 HIS 31 HE1 HIS 31 6.341 1.160 1.653 218 H GLN 32 H GLN 32 1.772 5.221 0.226 219 HA GLN 32 HA GLN 32 3.653 4.526 -1.627 220 HB2 GLN 32 1HB GLN 32 1.518 6.649 -1.902 221 HB3 GLN 32 2HB GLN 32 2.390 5.926 -3.247 222 HG2 GLN 32 1HG GLN 32 1.443 3.776 -2.787 223 HG3 GLN 32 2HG GLN 32 0.700 4.373 -1.305 224 HE21 GLN 32 1HE2 GLN 32 -1.105 3.281 -2.640 225 HE22 GLN 32 2HE2 GLN 32 -2.048 4.351 -3.615 226 H ARG 33 H ARG 33 3.437 7.495 0.161 227 HA ARG 33 HA ARG 33 4.791 9.333 -1.301 228 HB2 ARG 33 1HB ARG 33 5.145 8.698 1.632 229 HB3 ARG 33 2HB ARG 33 5.772 10.149 0.860 230 HG2 ARG 33 1HG ARG 33 2.883 9.547 0.550 231 HG3 ARG 33 2HG ARG 33 3.454 10.127 2.115 232 HD2 ARG 33 1HD ARG 33 2.875 12.079 0.983 233 HD3 ARG 33 2HD ARG 33 4.623 11.979 0.774 234 HE ARG 33 HE ARG 33 3.414 10.710 -1.401 235 HH11 ARG 33 1HH1 ARG 33 3.709 13.898 -0.033 236 HH12 ARG 33 2HH1 ARG 33 3.560 14.708 -1.558 237 HH21 ARG 33 1HH2 ARG 33 3.218 11.764 -3.414 238 HH22 ARG 33 2HH2 ARG 33 3.280 13.493 -3.480 239 H VAL 34 H VAL 34 6.308 6.783 0.664 240 HA VAL 34 HA VAL 34 8.964 7.360 0.239 241 HB VAL 34 HB VAL 34 9.470 5.042 0.668 242 HG11 VAL 34 1HG1 VAL 34 7.528 4.746 2.553 243 HG12 VAL 34 2HG1 VAL 34 8.967 5.752 2.738 244 HG13 VAL 34 3HG1 VAL 34 7.442 6.477 2.225 245 HG21 VAL 34 3HG2 VAL 34 6.747 4.630 -0.403 246 HG22 VAL 34 1HG2 VAL 34 8.191 3.628 -0.551 247 HG23 VAL 34 2HG2 VAL 34 7.233 3.582 0.930 248 H HIS 35 H HIS 35 6.690 5.800 -1.932 249 HA HIS 35 HA HIS 35 8.717 5.085 -3.855 250 HB2 HIS 35 1HB HIS 35 5.699 5.057 -4.052 251 HB3 HIS 35 2HB HIS 35 6.794 4.396 -5.262 252 HD1 HIS 35 HD1 HIS 35 8.689 2.719 -3.717 253 HD2 HIS 35 HD2 HIS 35 4.658 2.946 -2.737 254 HE1 HIS 35 HE1 HIS 35 8.195 0.625 -2.416 255 H SER 36 H SER 36 6.426 7.685 -3.361 256 HA SER 36 HA SER 36 7.380 8.958 -5.841 257 HB2 SER 36 1HB SER 36 4.741 8.952 -4.457 258 HB3 SER 36 2HB SER 36 5.222 10.431 -5.289 259 HG SER 36 HG SER 36 5.757 8.722 -7.046 260 H GLY 37 H GLY 37 9.282 9.671 -4.663 261 HA2 GLY 37 1HA GLY 37 9.198 11.290 -2.370 262 HA3 GLY 37 2HA GLY 37 10.503 11.260 -3.547 263 H GLU 38 H GLU 38 10.419 12.696 -5.344 264 HA GLU 38 HA GLU 38 8.361 14.606 -5.696 265 HB2 GLU 38 1HB GLU 38 9.473 15.335 -3.504 266 HB3 GLU 38 2HB GLU 38 10.859 15.779 -4.490 267 HG2 GLU 38 1HG GLU 38 9.017 17.087 -5.856 268 HG3 GLU 38 2HG GLU 38 8.177 17.031 -4.307 269 H LYS 39 H LYS 39 8.468 15.159 -7.762 270 HA LYS 39 HA LYS 39 11.097 15.501 -9.022 271 HB2 LYS 39 1HB LYS 39 10.311 14.299 -11.026 272 HB3 LYS 39 2HB LYS 39 10.371 13.257 -9.611 273 HG2 LYS 39 1HG LYS 39 7.926 13.605 -9.327 274 HG3 LYS 39 2HG LYS 39 7.923 14.491 -10.853 275 HD2 LYS 39 1HD LYS 39 7.323 12.358 -11.522 276 HD3 LYS 39 2HD LYS 39 9.066 12.358 -11.796 277 HE2 LYS 39 1HE LYS 39 8.401 10.301 -10.707 278 HE3 LYS 39 2HE LYS 39 9.387 11.268 -9.613 279 HZ1 LYS 39 3HZ LYS 39 7.434 10.296 -8.523 280 HZ2 LYS 39 1HZ LYS 39 6.420 11.159 -9.567 281 HZ3 LYS 39 2HZ LYS 39 7.410 11.987 -8.474 282 HA PRO 40 HA PRO 40 9.312 19.197 -10.611 283 HB2 PRO 40 1HB PRO 40 10.963 19.603 -12.728 284 HB3 PRO 40 2HB PRO 40 11.464 19.869 -11.054 285 HG2 PRO 40 1HG PRO 40 11.973 17.515 -12.833 286 HG3 PRO 40 2HG PRO 40 13.084 18.341 -11.725 287 HD2 PRO 40 1HD PRO 40 11.852 16.016 -11.087 288 HD3 PRO 40 2HD PRO 40 12.250 17.249 -9.874 289 H SER 41 H SER 41 10.216 16.854 -13.151 290 HA SER 41 HA SER 41 7.648 17.445 -14.474 291 HB2 SER 41 1HB SER 41 10.287 16.686 -15.750 292 HB3 SER 41 2HB SER 41 8.765 16.880 -16.617 293 HG SER 41 HG SER 41 10.408 18.741 -16.342 294 H GLY 42 H GLY 42 6.428 15.744 -15.224 295 HA2 GLY 42 1HA GLY 42 7.343 13.072 -14.361 296 HA3 GLY 42 2HA GLY 42 5.662 13.583 -14.384 297 HA PRO 43 HA PRO 43 6.838 13.049 -19.031 298 HB2 PRO 43 1HB PRO 43 9.341 12.159 -19.591 299 HB3 PRO 43 2HB PRO 43 8.942 13.875 -19.443 300 HG2 PRO 43 1HG PRO 43 10.197 12.042 -17.436 301 HG3 PRO 43 2HG PRO 43 10.628 13.712 -17.850 302 HD2 PRO 43 1HD PRO 43 9.167 13.085 -15.658 303 HD3 PRO 43 2HD PRO 43 8.942 14.601 -16.554 304 H SER 44 H SER 44 8.291 10.823 -16.718 305 HA SER 44 HA SER 44 7.352 8.559 -18.349 306 HB2 SER 44 1HB SER 44 9.831 8.753 -17.700 307 HB3 SER 44 2HB SER 44 9.309 8.355 -16.064 308 HG SER 44 HG SER 44 8.985 6.785 -18.404 309 H SER 45 H SER 45 5.192 8.790 -17.573 310 HA SER 45 HA SER 45 3.442 8.519 -16.120 311 HB2 SER 45 1HB SER 45 5.280 6.206 -15.705 312 HB3 SER 45 2HB SER 45 3.913 6.381 -14.606 313 HG SER 45 HG SER 45 3.456 6.617 -17.355 314 H GLY 46 H GLY 46 5.171 10.506 -15.224 315 HA2 GLY 46 1HA GLY 46 5.447 11.798 -13.340 316 HA3 GLY 46 2HA GLY 46 4.442 10.643 -12.477 Start of MODEL 11 1 H1 GLY 1 1H GLY 1 14.508 -12.867 12.015 2 HA2 GLY 1 1HA GLY 1 15.009 -15.560 11.075 3 HA3 GLY 1 2HA GLY 1 15.793 -14.762 12.430 4 H SER 2 H SER 2 14.104 -14.262 14.273 5 HA SER 2 HA SER 2 13.313 -16.754 15.313 6 HB2 SER 2 1HB SER 2 12.726 -13.913 16.138 7 HB3 SER 2 2HB SER 2 12.083 -15.293 17.028 8 HG SER 2 HG SER 2 14.076 -15.842 17.658 9 H SER 3 H SER 3 11.431 -17.845 15.296 10 HA SER 3 HA SER 3 9.428 -17.084 13.393 11 HB2 SER 3 1HB SER 3 9.947 -19.444 15.134 12 HB3 SER 3 2HB SER 3 8.295 -19.199 14.569 13 HG SER 3 HG SER 3 8.911 -19.937 12.714 14 H GLY 4 H GLY 4 7.053 -17.256 14.027 15 HA2 GLY 4 1HA GLY 4 5.604 -17.017 16.105 16 HA3 GLY 4 2HA GLY 4 6.653 -15.655 16.474 17 H SER 5 H SER 5 6.734 -13.912 14.809 18 HA SER 5 HA SER 5 4.064 -13.560 13.613 19 HB2 SER 5 1HB SER 5 5.935 -11.640 14.961 20 HB3 SER 5 2HB SER 5 4.783 -11.046 13.764 21 HG SER 5 HG SER 5 3.769 -10.946 15.723 22 H SER 6 H SER 6 4.054 -13.710 11.480 23 HA SER 6 HA SER 6 6.371 -12.675 9.982 24 HB2 SER 6 1HB SER 6 6.021 -15.263 10.091 25 HB3 SER 6 2HB SER 6 4.725 -14.957 8.934 26 HG SER 6 HG SER 6 6.189 -14.193 7.488 27 H GLY 7 H GLY 7 5.814 -12.193 7.659 28 HA2 GLY 7 1HA GLY 7 3.744 -10.309 7.536 29 HA3 GLY 7 2HA GLY 7 4.597 -10.968 6.148 30 H THR 8 H THR 8 1.652 -10.785 7.754 31 HA THR 8 HA THR 8 0.306 -12.303 5.766 32 HB THR 8 HB THR 8 1.177 -14.173 7.150 33 HG1 THR 8 HG1 THR 8 -0.615 -15.017 6.418 34 HG21 THR 8 3HG2 THR 8 -0.085 -14.471 9.379 35 HG22 THR 8 1HG2 THR 8 -0.359 -12.731 9.290 36 HG23 THR 8 2HG2 THR 8 1.287 -13.363 9.341 37 H GLY 9 H GLY 9 -1.911 -11.950 5.776 38 HA2 GLY 9 1HA GLY 9 -3.665 -11.261 7.669 39 HA3 GLY 9 2HA GLY 9 -2.772 -9.758 7.483 40 H GLU 10 H GLU 10 -5.567 -11.054 6.694 41 HA GLU 10 HA GLU 10 -5.700 -10.573 3.874 42 HB2 GLU 10 1HB GLU 10 -7.950 -10.828 5.878 43 HB3 GLU 10 2HB GLU 10 -8.103 -10.929 4.130 44 HG2 GLU 10 1HG GLU 10 -6.644 -12.851 5.926 45 HG3 GLU 10 2HG GLU 10 -8.162 -13.135 5.076 46 H LYS 11 H LYS 11 -5.457 -8.581 3.100 47 HA LYS 11 HA LYS 11 -7.045 -6.423 4.312 48 HB2 LYS 11 1HB LYS 11 -4.130 -6.490 3.719 49 HB3 LYS 11 2HB LYS 11 -4.986 -4.989 3.389 50 HG2 LYS 11 1HG LYS 11 -5.468 -4.616 5.609 51 HG3 LYS 11 2HG LYS 11 -5.318 -6.322 6.037 52 HD2 LYS 11 1HD LYS 11 -2.908 -4.896 5.025 53 HD3 LYS 11 2HD LYS 11 -3.447 -4.567 6.674 54 HE2 LYS 11 1HE LYS 11 -3.524 -7.147 6.897 55 HE3 LYS 11 2HE LYS 11 -2.487 -7.137 5.471 56 HZ1 LYS 11 3HZ LYS 11 -0.909 -5.758 6.673 57 HZ2 LYS 11 1HZ LYS 11 -1.192 -7.203 7.507 58 HZ3 LYS 11 2HZ LYS 11 -1.904 -5.765 8.040 59 HA PRO 12 HA PRO 12 -8.537 -5.781 0.220 60 HB2 PRO 12 1HB PRO 12 -9.365 -3.207 0.459 61 HB3 PRO 12 2HB PRO 12 -10.229 -4.566 1.188 62 HG2 PRO 12 1HG PRO 12 -8.307 -2.647 2.448 63 HG3 PRO 12 2HG PRO 12 -9.844 -3.268 3.079 64 HD2 PRO 12 1HD PRO 12 -7.445 -4.250 3.862 65 HD3 PRO 12 2HD PRO 12 -8.903 -5.257 3.765 66 H TYR 13 H TYR 13 -6.558 -3.137 1.560 67 HA TYR 13 HA TYR 13 -5.693 -2.345 -1.090 68 HB2 TYR 13 1HB TYR 13 -4.720 -1.297 1.571 69 HB3 TYR 13 2HB TYR 13 -4.568 -0.521 -0.001 70 HD1 TYR 13 HD2 TYR 13 -6.471 0.595 -1.027 71 HD2 TYR 13 HD1 TYR 13 -6.825 -1.270 2.781 72 HE1 TYR 13 HE2 TYR 13 -8.589 1.786 -0.648 73 HE2 TYR 13 HE1 TYR 13 -8.946 -0.086 3.170 74 HH TYR 13 HH TYR 13 -10.538 1.702 0.663 75 H ASN 14 H ASN 14 -3.736 -2.718 -1.996 76 HA ASN 14 HA ASN 14 -1.641 -3.993 -0.407 77 HB2 ASN 14 1HB ASN 14 -2.519 -5.158 -3.052 78 HB3 ASN 14 2HB ASN 14 -1.352 -5.829 -1.916 79 HD21 ASN 14 1HD2 ASN 14 -2.047 -7.057 -0.252 80 HD22 ASN 14 2HD2 ASN 14 -3.702 -7.471 0.022 81 H CYS 15 H CYS 15 0.118 -2.813 -0.711 82 HA CYS 15 HA CYS 15 0.424 -1.035 -2.919 83 HB2 CYS 15 1HB CYS 15 1.338 -0.627 -0.623 84 HB3 CYS 15 2HB CYS 15 2.524 -1.894 -0.920 85 H LYS 16 H LYS 16 1.056 -1.567 -4.891 86 HA LYS 16 HA LYS 16 2.274 -4.115 -5.444 87 HB2 LYS 16 1HB LYS 16 1.207 -1.849 -7.049 88 HB3 LYS 16 2HB LYS 16 2.393 -2.894 -7.820 89 HG2 LYS 16 1HG LYS 16 0.841 -4.807 -6.956 90 HG3 LYS 16 2HG LYS 16 -0.367 -3.520 -6.890 91 HD2 LYS 16 1HD LYS 16 1.286 -3.938 -9.354 92 HD3 LYS 16 2HD LYS 16 -0.142 -4.931 -9.051 93 HE2 LYS 16 1HE LYS 16 -1.513 -2.916 -8.891 94 HE3 LYS 16 2HE LYS 16 -0.087 -1.916 -9.167 95 HZ1 LYS 16 3HZ LYS 16 -1.460 -3.718 -11.064 96 HZ2 LYS 16 1HZ LYS 16 0.135 -3.219 -11.325 97 HZ3 LYS 16 2HZ LYS 16 -1.105 -2.073 -11.238 98 H GLU 17 H GLU 17 3.319 -0.791 -5.178 99 HA GLU 17 HA GLU 17 5.715 -0.778 -6.507 100 HB2 GLU 17 1HB GLU 17 4.869 0.518 -3.930 101 HB3 GLU 17 2HB GLU 17 6.489 0.755 -4.572 102 HG2 GLU 17 1HG GLU 17 5.026 2.577 -5.210 103 HG3 GLU 17 2HG GLU 17 5.552 1.669 -6.626 104 H CYS 18 H CYS 18 5.453 -1.457 -3.012 105 HA CYS 18 HA CYS 18 7.969 -2.945 -3.166 106 HB2 CYS 18 1HB CYS 18 7.926 -2.840 -0.694 107 HB3 CYS 18 2HB CYS 18 7.846 -1.244 -1.432 108 H GLY 19 H GLY 19 4.605 -3.326 -2.122 109 HA2 GLY 19 1HA GLY 19 3.550 -5.477 -2.683 110 HA3 GLY 19 2HA GLY 19 5.040 -6.249 -2.158 111 H LYS 20 H LYS 20 3.608 -3.565 -0.438 112 HA LYS 20 HA LYS 20 3.289 -5.281 1.897 113 HB2 LYS 20 1HB LYS 20 3.324 -2.300 1.491 114 HB3 LYS 20 2HB LYS 20 2.786 -3.011 3.006 115 HG2 LYS 20 1HG LYS 20 4.915 -3.957 3.424 116 HG3 LYS 20 2HG LYS 20 5.470 -3.596 1.788 117 HD2 LYS 20 1HD LYS 20 5.311 -1.197 2.272 118 HD3 LYS 20 2HD LYS 20 4.770 -1.566 3.911 119 HE2 LYS 20 1HE LYS 20 7.329 -2.746 2.945 120 HE3 LYS 20 2HE LYS 20 7.299 -1.039 3.383 121 HZ1 LYS 20 3HZ LYS 20 7.855 -2.064 5.355 122 HZ2 LYS 20 1HZ LYS 20 6.844 -3.395 5.090 123 HZ3 LYS 20 2HZ LYS 20 6.179 -1.902 5.521 124 H SER 21 H SER 21 1.335 -4.228 3.345 125 HA SER 21 HA SER 21 -1.063 -3.923 1.728 126 HB2 SER 21 1HB SER 21 -2.170 -5.756 3.186 127 HB3 SER 21 2HB SER 21 -1.150 -6.266 1.841 128 HG SER 21 HG SER 21 -0.784 -6.573 4.550 129 H PHE 22 H PHE 22 -2.803 -3.007 2.840 130 HA PHE 22 HA PHE 22 -2.364 -2.289 5.647 131 HB2 PHE 22 1HB PHE 22 -3.181 -0.289 3.530 132 HB3 PHE 22 2HB PHE 22 -2.940 0.037 5.243 133 HD1 PHE 22 HD2 PHE 22 -1.195 -1.005 2.147 134 HD2 PHE 22 HD1 PHE 22 -0.828 0.597 6.074 135 HE1 PHE 22 HE2 PHE 22 1.168 -0.478 1.708 136 HE2 PHE 22 HE1 PHE 22 1.535 1.127 5.640 137 HZ PHE 22 HZ PHE 22 2.536 0.589 3.456 138 H ARG 23 H ARG 23 -4.345 -1.401 6.673 139 HA ARG 23 HA ARG 23 -6.628 -2.986 5.874 140 HB2 ARG 23 1HB ARG 23 -6.021 -1.242 8.251 141 HB3 ARG 23 2HB ARG 23 -7.628 -1.901 7.979 142 HG2 ARG 23 1HG ARG 23 -6.867 -4.121 8.216 143 HG3 ARG 23 2HG ARG 23 -5.175 -3.627 8.116 144 HD2 ARG 23 1HD ARG 23 -5.669 -2.249 10.228 145 HD3 ARG 23 2HD ARG 23 -7.123 -3.237 10.365 146 HE ARG 23 HE ARG 23 -5.202 -5.093 10.109 147 HH11 ARG 23 1HH1 ARG 23 -5.479 -2.289 12.154 148 HH12 ARG 23 2HH1 ARG 23 -4.548 -2.976 13.443 149 HH21 ARG 23 1HH2 ARG 23 -3.975 -6.009 11.800 150 HH22 ARG 23 2HH2 ARG 23 -3.692 -5.092 13.241 151 H TRP 24 H TRP 24 -6.114 0.466 6.621 152 HA TRP 24 HA TRP 24 -8.572 1.152 5.233 153 HB2 TRP 24 1HB TRP 24 -6.592 2.710 6.879 154 HB3 TRP 24 2HB TRP 24 -7.832 3.524 5.929 155 HD1 TRP 24 HD1 TRP 24 -7.282 2.335 9.303 156 HE1 TRP 24 HE1 TRP 24 -9.499 2.009 10.570 157 HE3 TRP 24 HE3 TRP 24 -10.509 2.467 5.340 158 HZ2 TRP 24 HZ2 TRP 24 -12.251 1.830 9.969 159 HZ3 TRP 24 HZ3 TRP 24 -12.918 2.210 5.772 160 HH2 TRP 24 HH2 TRP 24 -13.769 1.898 8.039 161 H ALA 25 H ALA 25 -8.195 3.457 4.010 162 HA ALA 25 HA ALA 25 -6.482 2.746 1.761 163 HB1 ALA 25 3HB ALA 25 -7.636 4.704 0.665 164 HB2 ALA 25 1HB ALA 25 -8.676 3.353 1.119 165 HB3 ALA 25 2HB ALA 25 -8.641 4.812 2.111 166 H SER 26 H SER 26 -7.207 5.827 3.411 167 HA SER 26 HA SER 26 -5.227 7.418 2.596 168 HB2 SER 26 1HB SER 26 -5.162 8.432 4.882 169 HB3 SER 26 2HB SER 26 -6.797 8.171 4.275 170 HG SER 26 HG SER 26 -5.430 6.886 6.340 171 H CYS 27 H CYS 27 -4.800 5.111 5.280 172 HA CYS 27 HA CYS 27 -2.187 5.516 5.918 173 HB2 CYS 27 1HB CYS 27 -2.098 3.000 6.362 174 HB3 CYS 27 2HB CYS 27 -3.367 3.905 7.176 175 HG CYS 27 HG CYS 27 -4.568 1.563 6.475 176 H LEU 28 H LEU 28 -3.379 3.475 3.265 177 HA LEU 28 HA LEU 28 -0.835 2.657 2.356 178 HB2 LEU 28 1HB LEU 28 -2.628 1.350 1.644 179 HB3 LEU 28 2HB LEU 28 -3.563 2.751 1.124 180 HG LEU 28 HG LEU 28 -2.107 3.033 -0.803 181 HD11 LEU 28 1HD1 LEU 28 -0.650 0.693 -0.984 182 HD12 LEU 28 2HD1 LEU 28 -0.421 1.204 0.688 183 HD13 LEU 28 3HD1 LEU 28 -0.013 2.300 -0.633 184 HD21 LEU 28 3HD2 LEU 28 -2.832 0.128 -0.753 185 HD22 LEU 28 1HD2 LEU 28 -2.963 1.289 -2.074 186 HD23 LEU 28 2HD2 LEU 28 -4.082 1.372 -0.713 187 H LEU 29 H LEU 29 -2.995 5.277 1.318 188 HA LEU 29 HA LEU 29 -1.524 6.232 -0.831 189 HB2 LEU 29 1HB LEU 29 -3.653 7.135 -0.559 190 HB3 LEU 29 2HB LEU 29 -3.367 7.542 1.131 191 HG LEU 29 HG LEU 29 -1.814 9.334 0.373 192 HD11 LEU 29 1HD1 LEU 29 -1.557 9.921 -1.856 193 HD12 LEU 29 2HD1 LEU 29 -2.971 9.000 -2.367 194 HD13 LEU 29 3HD1 LEU 29 -1.492 8.159 -1.901 195 HD21 LEU 29 3HD2 LEU 29 -4.699 9.240 0.085 196 HD22 LEU 29 1HD2 LEU 29 -3.963 10.462 -0.952 197 HD23 LEU 29 2HD2 LEU 29 -3.673 10.491 0.787 198 H LYS 30 H LYS 30 -1.257 7.070 2.606 199 HA LYS 30 HA LYS 30 0.731 9.035 2.336 200 HB2 LYS 30 1HB LYS 30 0.160 7.184 4.657 201 HB3 LYS 30 2HB LYS 30 1.185 8.611 4.738 202 HG2 LYS 30 1HG LYS 30 -0.699 10.039 4.245 203 HG3 LYS 30 2HG LYS 30 -1.744 8.632 4.036 204 HD2 LYS 30 1HD LYS 30 -2.248 9.229 6.198 205 HD3 LYS 30 2HD LYS 30 -0.948 8.066 6.470 206 HE2 LYS 30 1HE LYS 30 -0.352 9.849 7.832 207 HE3 LYS 30 2HE LYS 30 0.605 10.123 6.377 208 HZ1 LYS 30 3HZ LYS 30 -1.289 11.821 7.566 209 HZ2 LYS 30 1HZ LYS 30 -1.849 11.396 6.027 210 HZ3 LYS 30 2HZ LYS 30 -0.326 12.108 6.206 211 H HIS 31 H HIS 31 0.941 5.535 2.784 212 HA HIS 31 HA HIS 31 3.737 5.394 3.114 213 HB2 HIS 31 1HB HIS 31 2.663 3.445 3.759 214 HB3 HIS 31 2HB HIS 31 1.600 3.442 2.355 215 HD1 HIS 31 HD1 HIS 31 5.208 2.729 3.261 216 HD2 HIS 31 HD2 HIS 31 2.434 1.859 0.293 217 HE1 HIS 31 HE1 HIS 31 6.316 1.021 1.785 218 H GLN 32 H GLN 32 1.680 5.116 0.238 219 HA GLN 32 HA GLN 32 3.444 4.380 -1.689 220 HB2 GLN 32 1HB GLN 32 1.299 6.499 -1.843 221 HB3 GLN 32 2HB GLN 32 2.149 5.877 -3.251 222 HG2 GLN 32 1HG GLN 32 1.353 3.561 -2.262 223 HG3 GLN 32 2HG GLN 32 0.111 4.578 -1.534 224 HE21 GLN 32 1HE2 GLN 32 -1.589 5.125 -2.724 225 HE22 GLN 32 2HE2 GLN 32 -1.741 4.877 -4.427 226 H ARG 33 H ARG 33 3.430 7.357 0.079 227 HA ARG 33 HA ARG 33 4.763 9.126 -1.511 228 HB2 ARG 33 1HB ARG 33 4.958 8.574 1.434 229 HB3 ARG 33 2HB ARG 33 5.946 9.825 0.693 230 HG2 ARG 33 1HG ARG 33 4.030 11.057 0.019 231 HG3 ARG 33 2HG ARG 33 2.951 9.728 0.449 232 HD2 ARG 33 1HD ARG 33 3.247 10.074 2.739 233 HD3 ARG 33 2HD ARG 33 4.720 11.012 2.499 234 HE ARG 33 HE ARG 33 2.907 12.566 1.310 235 HH11 ARG 33 1HH1 ARG 33 2.859 10.937 4.386 236 HH12 ARG 33 2HH1 ARG 33 1.849 12.123 5.146 237 HH21 ARG 33 1HH2 ARG 33 1.577 14.134 2.299 238 HH22 ARG 33 2HH2 ARG 33 1.120 13.940 3.957 239 H VAL 34 H VAL 34 6.256 6.589 0.487 240 HA VAL 34 HA VAL 34 8.914 7.060 0.018 241 HB VAL 34 HB VAL 34 9.355 4.751 0.466 242 HG11 VAL 34 1HG1 VAL 34 8.786 5.323 2.544 243 HG12 VAL 34 2HG1 VAL 34 7.380 6.235 1.992 244 HG13 VAL 34 3HG1 VAL 34 7.259 4.493 2.246 245 HG21 VAL 34 3HG2 VAL 34 6.442 4.198 -0.092 246 HG22 VAL 34 1HG2 VAL 34 7.775 3.816 -1.181 247 HG23 VAL 34 2HG2 VAL 34 7.663 3.020 0.388 248 H HIS 35 H HIS 35 6.564 5.615 -2.147 249 HA HIS 35 HA HIS 35 8.610 4.989 -4.123 250 HB2 HIS 35 1HB HIS 35 5.609 4.651 -4.297 251 HB3 HIS 35 2HB HIS 35 6.801 3.981 -5.406 252 HD1 HIS 35 HD1 HIS 35 8.732 2.522 -3.784 253 HD2 HIS 35 HD2 HIS 35 4.723 2.673 -2.702 254 HE1 HIS 35 HE1 HIS 35 8.366 0.539 -2.281 255 H SER 36 H SER 36 7.956 7.777 -3.322 256 HA SER 36 HA SER 36 6.782 8.863 -5.767 257 HB2 SER 36 1HB SER 36 7.583 10.167 -3.158 258 HB3 SER 36 2HB SER 36 6.942 11.052 -4.542 259 HG SER 36 HG SER 36 5.041 9.816 -4.370 260 H GLY 37 H GLY 37 7.888 10.053 -7.252 261 HA2 GLY 37 1HA GLY 37 10.671 9.648 -7.505 262 HA3 GLY 37 2HA GLY 37 9.702 10.744 -8.479 263 H GLU 38 H GLU 38 12.413 11.052 -7.338 264 HA GLU 38 HA GLU 38 11.913 13.531 -5.828 265 HB2 GLU 38 1HB GLU 38 13.835 13.142 -4.464 266 HB3 GLU 38 2HB GLU 38 12.856 11.682 -4.417 267 HG2 GLU 38 1HG GLU 38 15.019 11.845 -6.440 268 HG3 GLU 38 2HG GLU 38 15.469 11.603 -4.753 269 H LYS 39 H LYS 39 12.194 13.240 -8.667 270 HA LYS 39 HA LYS 39 14.659 14.800 -9.057 271 HB2 LYS 39 1HB LYS 39 13.639 12.457 -10.605 272 HB3 LYS 39 2HB LYS 39 14.496 13.728 -11.468 273 HG2 LYS 39 1HG LYS 39 16.356 13.430 -9.774 274 HG3 LYS 39 2HG LYS 39 15.519 11.960 -9.268 275 HD2 LYS 39 1HD LYS 39 15.630 11.162 -11.624 276 HD3 LYS 39 2HD LYS 39 16.607 12.580 -12.013 277 HE2 LYS 39 1HE LYS 39 18.154 10.849 -11.647 278 HE3 LYS 39 2HE LYS 39 18.178 11.808 -10.168 279 HZ1 LYS 39 3HZ LYS 39 16.440 9.434 -10.409 280 HZ2 LYS 39 1HZ LYS 39 17.011 10.192 -9.008 281 HZ3 LYS 39 2HZ LYS 39 18.065 9.278 -9.964 282 HA PRO 40 HA PRO 40 12.011 17.834 -10.833 283 HB2 PRO 40 1HB PRO 40 13.832 19.173 -12.337 284 HB3 PRO 40 2HB PRO 40 13.763 19.298 -10.575 285 HG2 PRO 40 1HG PRO 40 15.574 17.638 -12.286 286 HG3 PRO 40 2HG PRO 40 15.963 18.595 -10.845 287 HD2 PRO 40 1HD PRO 40 15.629 15.910 -10.763 288 HD3 PRO 40 2HD PRO 40 15.200 16.967 -9.403 289 H SER 41 H SER 41 14.354 16.461 -13.153 290 HA SER 41 HA SER 41 12.253 16.532 -15.208 291 HB2 SER 41 1HB SER 41 15.246 16.661 -15.322 292 HB3 SER 41 2HB SER 41 14.352 16.058 -16.717 293 HG SER 41 HG SER 41 13.677 18.501 -15.472 294 H GLY 42 H GLY 42 11.481 14.701 -16.081 295 HA2 GLY 42 1HA GLY 42 12.695 12.318 -16.574 296 HA3 GLY 42 2HA GLY 42 12.228 12.188 -14.885 297 HA PRO 43 HA PRO 43 8.215 12.514 -17.624 298 HB2 PRO 43 1HB PRO 43 8.563 11.732 -20.200 299 HB3 PRO 43 2HB PRO 43 8.712 13.414 -19.678 300 HG2 PRO 43 1HG PRO 43 10.860 11.393 -20.191 301 HG3 PRO 43 2HG PRO 43 10.802 13.105 -20.650 302 HD2 PRO 43 1HD PRO 43 12.205 12.217 -18.512 303 HD3 PRO 43 2HD PRO 43 11.441 13.818 -18.554 304 H SER 44 H SER 44 7.675 10.735 -16.354 305 HA SER 44 HA SER 44 6.998 8.598 -15.956 306 HB2 SER 44 1HB SER 44 6.104 8.737 -18.275 307 HB3 SER 44 2HB SER 44 7.638 8.109 -18.875 308 HG SER 44 HG SER 44 5.539 6.768 -17.863 309 H SER 45 H SER 45 9.613 9.282 -15.312 310 HA SER 45 HA SER 45 11.074 6.784 -15.872 311 HB2 SER 45 1HB SER 45 12.013 9.613 -15.575 312 HB3 SER 45 2HB SER 45 13.094 8.295 -15.122 313 HG SER 45 HG SER 45 12.774 7.448 -17.246 314 H GLY 46 H GLY 46 11.384 5.475 -14.199 315 HA2 GLY 46 1HA GLY 46 12.087 4.983 -11.988 316 HA3 GLY 46 2HA GLY 46 11.633 6.612 -11.509 Start of MODEL 12 1 H1 GLY 1 1H GLY 1 25.788 -16.096 9.334 2 HA2 GLY 1 1HA GLY 1 23.476 -16.469 10.226 3 HA3 GLY 1 2HA GLY 1 24.030 -14.815 10.441 4 H SER 2 H SER 2 21.411 -16.474 9.655 5 HA SER 2 HA SER 2 20.467 -14.409 7.779 6 HB2 SER 2 1HB SER 2 19.239 -15.994 6.521 7 HB3 SER 2 2HB SER 2 20.820 -16.736 6.762 8 HG SER 2 HG SER 2 19.933 -18.243 7.941 9 H SER 3 H SER 3 18.427 -13.599 8.120 10 HA SER 3 HA SER 3 16.631 -14.762 10.037 11 HB2 SER 3 1HB SER 3 18.196 -12.276 10.715 12 HB3 SER 3 2HB SER 3 16.631 -12.618 11.452 13 HG SER 3 HG SER 3 17.774 -13.748 12.805 14 H GLY 4 H GLY 4 14.631 -13.468 10.273 15 HA2 GLY 4 1HA GLY 4 14.011 -11.188 8.817 16 HA3 GLY 4 2HA GLY 4 13.742 -12.549 7.737 17 H SER 5 H SER 5 12.549 -10.747 10.403 18 HA SER 5 HA SER 5 10.774 -12.401 11.658 19 HB2 SER 5 1HB SER 5 11.140 -10.001 12.214 20 HB3 SER 5 2HB SER 5 10.171 -9.558 10.810 21 HG SER 5 HG SER 5 8.648 -9.618 12.296 22 H SER 6 H SER 6 9.131 -13.624 11.032 23 HA SER 6 HA SER 6 7.910 -13.098 8.409 24 HB2 SER 6 1HB SER 6 7.190 -15.481 8.500 25 HB3 SER 6 2HB SER 6 8.942 -15.292 8.567 26 HG SER 6 HG SER 6 7.192 -15.779 10.748 27 H GLY 7 H GLY 7 5.668 -13.108 8.157 28 HA2 GLY 7 1HA GLY 7 3.644 -13.776 9.787 29 HA3 GLY 7 2HA GLY 7 4.211 -12.288 10.530 30 H THR 8 H THR 8 1.797 -13.307 8.784 31 HA THR 8 HA THR 8 1.492 -10.758 7.401 32 HB THR 8 HB THR 8 2.411 -12.241 5.678 33 HG1 THR 8 HG1 THR 8 -0.330 -12.021 5.057 34 HG21 THR 8 3HG2 THR 8 -0.045 -13.938 5.778 35 HG22 THR 8 1HG2 THR 8 1.299 -14.305 6.858 36 HG23 THR 8 2HG2 THR 8 1.547 -14.303 5.112 37 H GLY 9 H GLY 9 -0.582 -10.022 7.359 38 HA2 GLY 9 1HA GLY 9 -2.575 -11.730 8.696 39 HA3 GLY 9 2HA GLY 9 -2.602 -9.973 8.665 40 H GLU 10 H GLU 10 -4.531 -9.560 7.737 41 HA GLU 10 HA GLU 10 -4.842 -10.363 4.945 42 HB2 GLU 10 1HB GLU 10 -6.932 -10.791 7.083 43 HB3 GLU 10 2HB GLU 10 -7.264 -10.869 5.359 44 HG2 GLU 10 1HG GLU 10 -5.197 -12.597 6.678 45 HG3 GLU 10 2HG GLU 10 -6.892 -13.065 6.557 46 H LYS 11 H LYS 11 -4.986 -8.513 3.876 47 HA LYS 11 HA LYS 11 -6.834 -6.458 4.851 48 HB2 LYS 11 1HB LYS 11 -3.952 -6.034 4.075 49 HB3 LYS 11 2HB LYS 11 -5.127 -4.726 4.080 50 HG2 LYS 11 1HG LYS 11 -5.317 -4.720 6.372 51 HG3 LYS 11 2HG LYS 11 -4.788 -6.397 6.526 52 HD2 LYS 11 1HD LYS 11 -2.515 -5.641 5.763 53 HD3 LYS 11 2HD LYS 11 -3.097 -3.981 5.904 54 HE2 LYS 11 1HE LYS 11 -2.002 -4.413 7.934 55 HE3 LYS 11 2HE LYS 11 -3.718 -4.575 8.301 56 HZ1 LYS 11 3HZ LYS 11 -3.170 -6.541 9.151 57 HZ2 LYS 11 1HZ LYS 11 -1.635 -6.535 8.439 58 HZ3 LYS 11 2HZ LYS 11 -2.971 -7.083 7.561 59 HA PRO 12 HA PRO 12 -8.212 -6.464 0.671 60 HB2 PRO 12 1HB PRO 12 -9.411 -4.029 0.606 61 HB3 PRO 12 2HB PRO 12 -10.104 -5.419 1.450 62 HG2 PRO 12 1HG PRO 12 -8.538 -3.120 2.556 63 HG3 PRO 12 2HG PRO 12 -9.997 -3.894 3.201 64 HD2 PRO 12 1HD PRO 12 -7.520 -4.426 4.159 65 HD3 PRO 12 2HD PRO 12 -8.813 -5.643 4.125 66 H TYR 13 H TYR 13 -6.496 -3.596 1.853 67 HA TYR 13 HA TYR 13 -5.738 -2.838 -0.849 68 HB2 TYR 13 1HB TYR 13 -4.966 -1.575 1.789 69 HB3 TYR 13 2HB TYR 13 -4.720 -0.882 0.190 70 HD1 TYR 13 HD1 TYR 13 -7.175 -1.615 2.806 71 HD2 TYR 13 HD2 TYR 13 -6.576 0.071 -1.054 72 HE1 TYR 13 HE1 TYR 13 -9.382 -0.538 2.941 73 HE2 TYR 13 HE2 TYR 13 -8.780 1.154 -0.929 74 HH TYR 13 HH TYR 13 -10.337 1.931 1.114 75 H ASN 14 H ASN 14 -3.779 -3.132 -1.756 76 HA ASN 14 HA ASN 14 -1.527 -3.994 -0.121 77 HB2 ASN 14 1HB ASN 14 -2.504 -5.629 -2.473 78 HB3 ASN 14 2HB ASN 14 -1.077 -5.961 -1.496 79 HD21 ASN 14 1HD2 ASN 14 -4.556 -5.954 -1.584 80 HD22 ASN 14 2HD2 ASN 14 -4.792 -6.953 -0.195 81 H CYS 15 H CYS 15 0.082 -2.699 -0.684 82 HA CYS 15 HA CYS 15 0.148 -1.092 -2.967 83 HB2 CYS 15 1HB CYS 15 1.442 -0.579 -0.956 84 HB3 CYS 15 2HB CYS 15 2.444 -2.002 -1.221 85 H LYS 16 H LYS 16 1.607 -1.139 -4.781 86 HA LYS 16 HA LYS 16 2.118 -3.884 -5.703 87 HB2 LYS 16 1HB LYS 16 0.566 -2.253 -6.977 88 HB3 LYS 16 2HB LYS 16 2.053 -1.457 -7.477 89 HG2 LYS 16 1HG LYS 16 1.816 -4.394 -7.871 90 HG3 LYS 16 2HG LYS 16 0.928 -3.317 -8.952 91 HD2 LYS 16 1HD LYS 16 2.940 -2.236 -9.644 92 HD3 LYS 16 2HD LYS 16 3.879 -3.058 -8.396 93 HE2 LYS 16 1HE LYS 16 4.401 -4.373 -10.183 94 HE3 LYS 16 2HE LYS 16 2.951 -5.207 -9.627 95 HZ1 LYS 16 3HZ LYS 16 2.065 -3.237 -11.333 96 HZ2 LYS 16 1HZ LYS 16 2.138 -4.898 -11.651 97 HZ3 LYS 16 2HZ LYS 16 3.423 -3.894 -12.099 98 H GLU 17 H GLU 17 3.551 -0.674 -5.421 99 HA GLU 17 HA GLU 17 5.939 -1.024 -6.740 100 HB2 GLU 17 1HB GLU 17 5.194 0.553 -4.299 101 HB3 GLU 17 2HB GLU 17 6.862 0.522 -4.854 102 HG2 GLU 17 1HG GLU 17 5.413 2.447 -5.639 103 HG3 GLU 17 2HG GLU 17 6.336 1.583 -6.867 104 H CYS 18 H CYS 18 5.480 -1.523 -3.234 105 HA CYS 18 HA CYS 18 7.848 -3.250 -3.228 106 HB2 CYS 18 1HB CYS 18 7.753 -3.011 -0.767 107 HB3 CYS 18 2HB CYS 18 7.863 -1.456 -1.586 108 H GLY 19 H GLY 19 4.415 -3.228 -2.414 109 HA2 GLY 19 1HA GLY 19 3.104 -5.219 -2.789 110 HA3 GLY 19 2HA GLY 19 4.512 -6.173 -2.343 111 H LYS 20 H LYS 20 3.608 -3.361 -0.506 112 HA LYS 20 HA LYS 20 3.313 -4.963 1.867 113 HB2 LYS 20 1HB LYS 20 3.380 -2.043 1.251 114 HB3 LYS 20 2HB LYS 20 2.674 -2.559 2.777 115 HG2 LYS 20 1HG LYS 20 4.775 -3.749 3.302 116 HG3 LYS 20 2HG LYS 20 5.474 -3.108 1.814 117 HD2 LYS 20 1HD LYS 20 6.204 -1.654 3.514 118 HD3 LYS 20 2HD LYS 20 4.879 -0.802 2.717 119 HE2 LYS 20 1HE LYS 20 3.381 -1.294 4.480 120 HE3 LYS 20 2HE LYS 20 4.478 -2.484 5.179 121 HZ1 LYS 20 3HZ LYS 20 4.306 -0.134 6.212 122 HZ2 LYS 20 1HZ LYS 20 5.332 0.321 4.947 123 HZ3 LYS 20 2HZ LYS 20 5.825 -0.860 6.053 124 H SER 21 H SER 21 1.411 -3.939 3.380 125 HA SER 21 HA SER 21 -1.089 -4.002 1.844 126 HB2 SER 21 1HB SER 21 -0.630 -5.629 4.354 127 HB3 SER 21 2HB SER 21 -2.091 -5.599 3.367 128 HG SER 21 HG SER 21 -0.685 -7.409 2.953 129 H PHE 22 H PHE 22 -2.934 -3.148 3.000 130 HA PHE 22 HA PHE 22 -2.437 -1.707 5.466 131 HB2 PHE 22 1HB PHE 22 -3.161 -0.261 2.910 132 HB3 PHE 22 2HB PHE 22 -3.183 0.462 4.515 133 HD1 PHE 22 HD1 PHE 22 -1.110 0.933 5.697 134 HD2 PHE 22 HD2 PHE 22 -1.097 -0.693 1.763 135 HE1 PHE 22 HE1 PHE 22 1.265 1.531 5.461 136 HE2 PHE 22 HE2 PHE 22 1.278 -0.099 1.522 137 HZ PHE 22 HZ PHE 22 2.463 1.014 3.372 138 H ARG 23 H ARG 23 -4.369 -0.902 6.456 139 HA ARG 23 HA ARG 23 -6.673 -2.529 5.823 140 HB2 ARG 23 1HB ARG 23 -5.848 -0.775 8.088 141 HB3 ARG 23 2HB ARG 23 -7.565 -1.083 7.866 142 HG2 ARG 23 1HG ARG 23 -7.116 -3.503 7.958 143 HG3 ARG 23 2HG ARG 23 -5.414 -3.151 8.265 144 HD2 ARG 23 1HD ARG 23 -6.351 -1.711 10.223 145 HD3 ARG 23 2HD ARG 23 -7.792 -2.707 10.022 146 HE ARG 23 HE ARG 23 -5.724 -4.491 10.166 147 HH11 ARG 23 1HH1 ARG 23 -6.940 -1.936 12.194 148 HH12 ARG 23 2HH1 ARG 23 -6.429 -2.686 13.669 149 HH21 ARG 23 1HH2 ARG 23 -5.045 -5.489 12.102 150 HH22 ARG 23 2HH2 ARG 23 -5.350 -4.706 13.616 151 H TRP 24 H TRP 24 -6.072 0.963 6.228 152 HA TRP 24 HA TRP 24 -8.501 1.489 4.658 153 HB2 TRP 24 1HB TRP 24 -7.021 3.041 6.749 154 HB3 TRP 24 2HB TRP 24 -7.999 3.905 5.565 155 HD1 TRP 24 HD1 TRP 24 -8.348 2.845 8.919 156 HE1 TRP 24 HE1 TRP 24 -10.782 2.304 9.557 157 HE3 TRP 24 HE3 TRP 24 -10.341 2.415 4.230 158 HZ2 TRP 24 HZ2 TRP 24 -13.224 1.765 8.247 159 HZ3 TRP 24 HZ3 TRP 24 -12.733 1.884 4.010 160 HH2 TRP 24 HH2 TRP 24 -14.143 1.566 5.978 161 H ALA 25 H ALA 25 -8.433 3.265 3.104 162 HA ALA 25 HA ALA 25 -6.427 2.989 1.206 163 HB1 ALA 25 3HB ALA 25 -7.748 4.291 -0.031 164 HB2 ALA 25 1HB ALA 25 -8.839 4.316 1.355 165 HB3 ALA 25 2HB ALA 25 -7.668 5.616 1.130 166 H SER 26 H SER 26 -6.930 5.782 3.374 167 HA SER 26 HA SER 26 -4.761 7.301 2.756 168 HB2 SER 26 1HB SER 26 -4.774 8.069 5.137 169 HB3 SER 26 2HB SER 26 -6.375 8.046 4.397 170 HG SER 26 HG SER 26 -6.290 7.111 6.526 171 H CYS 27 H CYS 27 -4.765 4.760 5.260 172 HA CYS 27 HA CYS 27 -2.166 4.817 6.060 173 HB2 CYS 27 1HB CYS 27 -3.884 2.382 5.551 174 HB3 CYS 27 2HB CYS 27 -2.366 2.346 6.439 175 HG CYS 27 HG CYS 27 -4.779 2.279 8.074 176 H LEU 28 H LEU 28 -3.427 3.436 3.078 177 HA LEU 28 HA LEU 28 -0.886 2.339 2.284 178 HB2 LEU 28 1HB LEU 28 -2.680 1.139 1.440 179 HB3 LEU 28 2HB LEU 28 -3.583 2.593 1.021 180 HG LEU 28 HG LEU 28 -2.026 2.988 -0.851 181 HD11 LEU 28 1HD1 LEU 28 -0.159 1.810 -1.203 182 HD12 LEU 28 2HD1 LEU 28 -0.936 0.277 -0.810 183 HD13 LEU 28 3HD1 LEU 28 -0.331 1.314 0.481 184 HD21 LEU 28 3HD2 LEU 28 -4.150 1.698 -1.102 185 HD22 LEU 28 1HD2 LEU 28 -3.206 0.217 -0.939 186 HD23 LEU 28 2HD2 LEU 28 -2.913 1.304 -2.297 187 H LEU 29 H LEU 29 -2.849 5.155 1.420 188 HA LEU 29 HA LEU 29 -1.247 6.115 -0.668 189 HB2 LEU 29 1HB LEU 29 -3.374 7.060 -0.474 190 HB3 LEU 29 2HB LEU 29 -3.157 7.418 1.238 191 HG LEU 29 HG LEU 29 -1.393 9.112 0.462 192 HD11 LEU 29 1HD1 LEU 29 -2.900 8.807 -2.129 193 HD12 LEU 29 2HD1 LEU 29 -1.257 8.233 -1.850 194 HD13 LEU 29 3HD1 LEU 29 -1.612 9.959 -1.774 195 HD21 LEU 29 3HD2 LEU 29 -2.959 10.675 0.800 196 HD22 LEU 29 1HD2 LEU 29 -4.059 9.315 1.025 197 HD23 LEU 29 2HD2 LEU 29 -3.949 10.110 -0.546 198 H LYS 30 H LYS 30 -1.325 7.178 2.737 199 HA LYS 30 HA LYS 30 0.766 8.965 2.687 200 HB2 LYS 30 1HB LYS 30 -0.831 8.233 4.621 201 HB3 LYS 30 2HB LYS 30 0.456 7.102 5.016 202 HG2 LYS 30 1HG LYS 30 0.860 8.964 6.363 203 HG3 LYS 30 2HG LYS 30 2.006 9.122 5.030 204 HD2 LYS 30 1HD LYS 30 1.167 11.257 5.123 205 HD3 LYS 30 2HD LYS 30 0.065 10.528 3.952 206 HE2 LYS 30 1HE LYS 30 -1.457 11.505 5.340 207 HE3 LYS 30 2HE LYS 30 -1.296 9.944 6.143 208 HZ1 LYS 30 3HZ LYS 30 -0.127 12.541 6.929 209 HZ2 LYS 30 1HZ LYS 30 0.500 11.082 7.513 210 HZ3 LYS 30 2HZ LYS 30 -1.104 11.504 7.841 211 H HIS 31 H HIS 31 0.881 5.530 2.425 212 HA HIS 31 HA HIS 31 3.675 5.307 3.115 213 HB2 HIS 31 1HB HIS 31 2.617 3.327 3.624 214 HB3 HIS 31 2HB HIS 31 1.530 3.428 2.242 215 HD1 HIS 31 HD1 HIS 31 5.268 2.910 2.785 216 HD2 HIS 31 HD2 HIS 31 2.168 1.640 0.328 217 HE1 HIS 31 HE1 HIS 31 6.284 1.194 1.254 218 H GLN 32 H GLN 32 1.752 4.973 0.137 219 HA GLN 32 HA GLN 32 3.660 4.406 -1.706 220 HB2 GLN 32 1HB GLN 32 1.223 6.135 -1.827 221 HB3 GLN 32 2HB GLN 32 2.293 6.066 -3.220 222 HG2 GLN 32 1HG GLN 32 2.055 3.516 -3.013 223 HG3 GLN 32 2HG GLN 32 0.666 3.879 -1.991 224 HE21 GLN 32 1HE2 GLN 32 -1.110 4.990 -2.902 225 HE22 GLN 32 2HE2 GLN 32 -1.394 4.968 -4.606 226 H ARG 33 H ARG 33 3.301 7.368 0.060 227 HA ARG 33 HA ARG 33 4.601 9.223 -1.482 228 HB2 ARG 33 1HB ARG 33 4.532 8.759 1.480 229 HB3 ARG 33 2HB ARG 33 5.531 10.045 0.816 230 HG2 ARG 33 1HG ARG 33 3.457 10.897 -0.339 231 HG3 ARG 33 2HG ARG 33 2.548 9.747 0.644 232 HD2 ARG 33 1HD ARG 33 3.352 10.795 2.672 233 HD3 ARG 33 2HD ARG 33 4.371 11.886 1.735 234 HE ARG 33 HE ARG 33 1.552 12.137 2.218 235 HH11 ARG 33 1HH1 ARG 33 4.166 12.957 0.070 236 HH12 ARG 33 2HH1 ARG 33 3.376 14.363 -0.565 237 HH21 ARG 33 1HH2 ARG 33 0.502 13.985 1.390 238 HH22 ARG 33 2HH2 ARG 33 1.293 14.947 0.188 239 H VAL 34 H VAL 34 6.075 6.777 0.625 240 HA VAL 34 HA VAL 34 8.733 7.491 0.408 241 HB VAL 34 HB VAL 34 9.315 5.249 0.985 242 HG11 VAL 34 1HG1 VAL 34 8.474 5.640 3.001 243 HG12 VAL 34 2HG1 VAL 34 7.220 6.668 2.305 244 HG13 VAL 34 3HG1 VAL 34 6.943 4.935 2.483 245 HG21 VAL 34 3HG2 VAL 34 6.552 4.464 0.060 246 HG22 VAL 34 1HG2 VAL 34 8.076 4.067 -0.734 247 HG23 VAL 34 2HG2 VAL 34 7.706 3.390 0.852 248 H HIS 35 H HIS 35 6.776 5.555 -1.816 249 HA HIS 35 HA HIS 35 8.906 4.889 -3.569 250 HB2 HIS 35 1HB HIS 35 5.920 4.980 -4.047 251 HB3 HIS 35 2HB HIS 35 7.091 4.278 -5.160 252 HD1 HIS 35 HD1 HIS 35 8.751 2.463 -3.596 253 HD2 HIS 35 HD2 HIS 35 4.728 2.981 -2.697 254 HE1 HIS 35 HE1 HIS 35 8.079 0.408 -2.312 255 H SER 36 H SER 36 6.777 7.633 -3.283 256 HA SER 36 HA SER 36 6.608 9.597 -4.423 257 HB2 SER 36 1HB SER 36 9.508 8.884 -4.644 258 HB3 SER 36 2HB SER 36 8.900 10.281 -5.532 259 HG SER 36 HG SER 36 8.082 11.061 -3.508 260 H GLY 37 H GLY 37 5.465 7.608 -5.823 261 HA2 GLY 37 1HA GLY 37 6.173 6.785 -8.264 262 HA3 GLY 37 2HA GLY 37 4.568 7.433 -7.963 263 H GLU 38 H GLU 38 4.088 9.566 -8.562 264 HA GLU 38 HA GLU 38 6.023 11.312 -9.701 265 HB2 GLU 38 1HB GLU 38 5.633 9.444 -11.459 266 HB3 GLU 38 2HB GLU 38 4.084 10.233 -11.724 267 HG2 GLU 38 1HG GLU 38 5.493 12.376 -12.028 268 HG3 GLU 38 2HG GLU 38 6.837 11.259 -12.258 269 H LYS 39 H LYS 39 5.133 13.336 -10.334 270 HA LYS 39 HA LYS 39 2.280 13.707 -9.740 271 HB2 LYS 39 1HB LYS 39 2.929 15.869 -8.584 272 HB3 LYS 39 2HB LYS 39 3.303 14.387 -7.715 273 HG2 LYS 39 1HG LYS 39 5.628 14.666 -8.921 274 HG3 LYS 39 2HG LYS 39 5.127 16.358 -8.984 275 HD2 LYS 39 1HD LYS 39 4.841 16.395 -6.579 276 HD3 LYS 39 2HD LYS 39 5.220 14.674 -6.480 277 HE2 LYS 39 1HE LYS 39 7.189 16.510 -7.757 278 HE3 LYS 39 2HE LYS 39 7.048 16.510 -5.999 279 HZ1 LYS 39 3HZ LYS 39 7.473 14.131 -6.002 280 HZ2 LYS 39 1HZ LYS 39 8.742 14.964 -6.751 281 HZ3 LYS 39 2HZ LYS 39 7.607 14.131 -7.688 282 HA PRO 40 HA PRO 40 2.286 16.039 -13.473 283 HB2 PRO 40 1HB PRO 40 0.050 17.522 -13.058 284 HB3 PRO 40 2HB PRO 40 0.001 15.799 -13.450 285 HG2 PRO 40 1HG PRO 40 -0.245 17.144 -10.787 286 HG3 PRO 40 2HG PRO 40 -1.184 15.794 -11.449 287 HD2 PRO 40 1HD PRO 40 0.839 15.434 -9.687 288 HD3 PRO 40 2HD PRO 40 0.448 14.246 -10.947 289 H SER 41 H SER 41 2.669 17.429 -10.385 290 HA SER 41 HA SER 41 2.874 20.163 -11.305 291 HB2 SER 41 1HB SER 41 3.376 20.715 -9.008 292 HB3 SER 41 2HB SER 41 2.041 19.563 -9.019 293 HG SER 41 HG SER 41 3.987 17.995 -8.852 294 H GLY 42 H GLY 42 5.024 17.506 -10.494 295 HA2 GLY 42 1HA GLY 42 7.416 19.098 -10.609 296 HA3 GLY 42 2HA GLY 42 7.331 17.345 -10.529 297 HA PRO 43 HA PRO 43 8.681 17.232 -14.708 298 HB2 PRO 43 1HB PRO 43 7.826 14.743 -15.374 299 HB3 PRO 43 2HB PRO 43 9.216 15.031 -14.321 300 HG2 PRO 43 1HG PRO 43 6.397 14.339 -13.590 301 HG3 PRO 43 2HG PRO 43 7.913 13.709 -12.920 302 HD2 PRO 43 1HD PRO 43 6.450 15.616 -11.674 303 HD3 PRO 43 2HD PRO 43 8.220 15.544 -11.560 304 H SER 44 H SER 44 5.372 16.953 -13.805 305 HA SER 44 HA SER 44 3.402 17.045 -14.985 306 HB2 SER 44 1HB SER 44 3.139 19.099 -16.117 307 HB3 SER 44 2HB SER 44 4.425 19.407 -14.950 308 HG SER 44 HG SER 44 5.931 19.146 -16.613 309 H SER 45 H SER 45 5.207 15.049 -15.993 310 HA SER 45 HA SER 45 5.256 15.158 -18.848 311 HB2 SER 45 1HB SER 45 5.914 13.107 -16.776 312 HB3 SER 45 2HB SER 45 5.676 12.574 -18.441 313 HG SER 45 HG SER 45 7.208 14.519 -18.809 314 H GLY 46 H GLY 46 3.100 15.578 -19.452 315 HA2 GLY 46 1HA GLY 46 1.517 13.823 -20.534 316 HA3 GLY 46 2HA GLY 46 1.141 13.472 -18.853 Start of MODEL 13 1 H1 GLY 1 1H GLY 1 13.896 -15.703 20.077 2 HA2 GLY 1 1HA GLY 1 12.765 -14.265 17.849 3 HA3 GLY 1 2HA GLY 1 12.838 -16.003 17.594 4 H SER 2 H SER 2 10.564 -14.069 17.955 5 HA SER 2 HA SER 2 9.198 -15.568 20.089 6 HB2 SER 2 1HB SER 2 9.809 -13.152 20.692 7 HB3 SER 2 2HB SER 2 8.607 -12.670 19.495 8 HG SER 2 HG SER 2 8.215 -13.424 22.014 9 H SER 3 H SER 3 7.602 -16.723 19.260 10 HA SER 3 HA SER 3 6.420 -15.938 16.708 11 HB2 SER 3 1HB SER 3 6.360 -18.487 18.319 12 HB3 SER 3 2HB SER 3 5.304 -18.236 16.929 13 HG SER 3 HG SER 3 8.107 -17.891 16.775 14 H GLY 4 H GLY 4 4.180 -15.725 16.391 15 HA2 GLY 4 1HA GLY 4 2.132 -16.097 18.177 16 HA3 GLY 4 2HA GLY 4 2.796 -14.524 18.593 17 H SER 5 H SER 5 0.238 -15.638 17.227 18 HA SER 5 HA SER 5 0.024 -13.435 15.347 19 HB2 SER 5 1HB SER 5 -0.931 -14.954 13.576 20 HB3 SER 5 2HB SER 5 0.801 -15.145 13.849 21 HG SER 5 HG SER 5 -1.110 -16.762 15.161 22 H SER 6 H SER 6 -1.735 -12.422 16.033 23 HA SER 6 HA SER 6 -4.087 -14.038 16.769 24 HB2 SER 6 1HB SER 6 -3.212 -11.397 17.965 25 HB3 SER 6 2HB SER 6 -4.697 -12.258 18.371 26 HG SER 6 HG SER 6 -2.022 -13.012 18.882 27 H GLY 7 H GLY 7 -4.869 -13.897 14.619 28 HA2 GLY 7 1HA GLY 7 -6.780 -12.720 13.621 29 HA3 GLY 7 2HA GLY 7 -5.924 -11.220 13.944 30 H THR 8 H THR 8 -5.742 -14.225 12.075 31 HA THR 8 HA THR 8 -3.820 -13.051 10.241 32 HB THR 8 HB THR 8 -5.175 -15.751 10.098 33 HG1 THR 8 HG1 THR 8 -3.587 -15.056 11.930 34 HG21 THR 8 3HG2 THR 8 -4.145 -14.751 7.989 35 HG22 THR 8 1HG2 THR 8 -3.569 -16.345 8.476 36 HG23 THR 8 2HG2 THR 8 -2.590 -14.915 8.805 37 H GLY 9 H GLY 9 -4.198 -12.560 8.092 38 HA2 GLY 9 1HA GLY 9 -6.433 -13.131 6.570 39 HA3 GLY 9 2HA GLY 9 -6.825 -11.662 7.452 40 H GLU 10 H GLU 10 -6.978 -10.949 5.111 41 HA GLU 10 HA GLU 10 -4.395 -9.778 4.358 42 HB2 GLU 10 1HB GLU 10 -6.333 -11.098 2.449 43 HB3 GLU 10 2HB GLU 10 -4.919 -10.170 1.967 44 HG2 GLU 10 1HG GLU 10 -3.675 -11.892 3.517 45 HG3 GLU 10 2HG GLU 10 -5.093 -12.879 3.169 46 H LYS 11 H LYS 11 -4.605 -7.651 4.419 47 HA LYS 11 HA LYS 11 -7.026 -6.269 4.608 48 HB2 LYS 11 1HB LYS 11 -4.274 -5.320 3.801 49 HB3 LYS 11 2HB LYS 11 -5.631 -4.235 4.080 50 HG2 LYS 11 1HG LYS 11 -4.659 -4.146 6.127 51 HG3 LYS 11 2HG LYS 11 -5.724 -5.530 6.384 52 HD2 LYS 11 1HD LYS 11 -3.975 -7.062 6.198 53 HD3 LYS 11 2HD LYS 11 -2.927 -5.907 5.372 54 HE2 LYS 11 1HE LYS 11 -1.983 -5.848 7.446 55 HE3 LYS 11 2HE LYS 11 -3.200 -4.589 7.651 56 HZ1 LYS 11 3HZ LYS 11 -3.185 -6.134 9.512 57 HZ2 LYS 11 1HZ LYS 11 -3.505 -7.428 8.470 58 HZ3 LYS 11 2HZ LYS 11 -4.658 -6.209 8.683 59 HA PRO 12 HA PRO 12 -8.506 -5.828 0.499 60 HB2 PRO 12 1HB PRO 12 -9.613 -3.351 0.598 61 HB3 PRO 12 2HB PRO 12 -10.329 -4.756 1.397 62 HG2 PRO 12 1HG PRO 12 -8.640 -2.574 2.557 63 HG3 PRO 12 2HG PRO 12 -10.104 -3.325 3.216 64 HD2 PRO 12 1HD PRO 12 -7.618 -3.995 4.056 65 HD3 PRO 12 2HD PRO 12 -8.957 -5.160 4.010 66 H TYR 13 H TYR 13 -6.426 -3.310 1.788 67 HA TYR 13 HA TYR 13 -5.733 -2.471 -0.941 68 HB2 TYR 13 1HB TYR 13 -4.946 -1.089 1.624 69 HB3 TYR 13 2HB TYR 13 -4.897 -0.438 -0.011 70 HD1 TYR 13 HD2 TYR 13 -6.994 0.192 -1.156 71 HD2 TYR 13 HD1 TYR 13 -6.970 -1.080 2.904 72 HE1 TYR 13 HE2 TYR 13 -9.246 1.133 -0.854 73 HE2 TYR 13 HE1 TYR 13 -9.222 -0.143 3.217 74 HH TYR 13 HH TYR 13 -10.676 1.530 2.217 75 H ASN 14 H ASN 14 -3.777 -2.874 -1.778 76 HA ASN 14 HA ASN 14 -1.562 -3.605 -0.024 77 HB2 ASN 14 1HB ASN 14 -1.052 -5.599 -1.466 78 HB3 ASN 14 2HB ASN 14 -2.509 -5.762 -0.490 79 HD21 ASN 14 1HD2 ASN 14 -1.201 -6.002 -3.556 80 HD22 ASN 14 2HD2 ASN 14 -2.670 -6.124 -4.458 81 H CYS 15 H CYS 15 0.217 -2.584 -0.652 82 HA CYS 15 HA CYS 15 0.294 -1.045 -3.041 83 HB2 CYS 15 1HB CYS 15 1.460 -0.422 -0.926 84 HB3 CYS 15 2HB CYS 15 2.585 -1.749 -1.196 85 H LYS 16 H LYS 16 1.283 -1.407 -4.962 86 HA LYS 16 HA LYS 16 2.200 -4.137 -5.463 87 HB2 LYS 16 1HB LYS 16 1.935 -3.593 -7.831 88 HB3 LYS 16 2HB LYS 16 0.463 -3.232 -6.939 89 HG2 LYS 16 1HG LYS 16 0.666 -0.983 -7.234 90 HG3 LYS 16 2HG LYS 16 2.428 -1.041 -7.323 91 HD2 LYS 16 1HD LYS 16 1.955 -0.633 -9.519 92 HD3 LYS 16 2HD LYS 16 1.903 -2.397 -9.538 93 HE2 LYS 16 1HE LYS 16 -0.584 -0.854 -8.947 94 HE3 LYS 16 2HE LYS 16 -0.030 -1.001 -10.614 95 HZ1 LYS 16 3HZ LYS 16 0.123 -3.521 -9.906 96 HZ2 LYS 16 1HZ LYS 16 -1.317 -2.845 -10.480 97 HZ3 LYS 16 2HZ LYS 16 -1.083 -3.048 -8.818 98 H GLU 17 H GLU 17 3.359 -0.879 -5.283 99 HA GLU 17 HA GLU 17 5.677 -1.028 -6.816 100 HB2 GLU 17 1HB GLU 17 4.920 0.561 -4.386 101 HB3 GLU 17 2HB GLU 17 6.548 0.668 -5.040 102 HG2 GLU 17 1HG GLU 17 4.129 1.115 -6.751 103 HG3 GLU 17 2HG GLU 17 4.846 2.407 -5.789 104 H CYS 18 H CYS 18 5.363 -1.563 -3.302 105 HA CYS 18 HA CYS 18 7.917 -3.013 -3.362 106 HB2 CYS 18 1HB CYS 18 7.950 -2.699 -0.924 107 HB3 CYS 18 2HB CYS 18 7.800 -1.160 -1.766 108 H GLY 19 H GLY 19 4.540 -3.290 -2.378 109 HA2 GLY 19 1HA GLY 19 3.414 -5.411 -2.653 110 HA3 GLY 19 2HA GLY 19 4.922 -6.210 -2.233 111 H LYS 20 H LYS 20 3.279 -3.515 -0.616 112 HA LYS 20 HA LYS 20 3.268 -5.122 1.845 113 HB2 LYS 20 1HB LYS 20 3.393 -2.174 1.307 114 HB3 LYS 20 2HB LYS 20 2.802 -2.758 2.857 115 HG2 LYS 20 1HG LYS 20 4.971 -4.095 2.986 116 HG3 LYS 20 2HG LYS 20 5.530 -3.077 1.657 117 HD2 LYS 20 1HD LYS 20 5.268 -1.098 2.973 118 HD3 LYS 20 2HD LYS 20 4.457 -1.996 4.258 119 HE2 LYS 20 1HE LYS 20 6.687 -3.373 4.275 120 HE3 LYS 20 2HE LYS 20 7.346 -1.926 3.514 121 HZ1 LYS 20 3HZ LYS 20 6.329 -0.672 5.431 122 HZ2 LYS 20 1HZ LYS 20 7.656 -1.651 5.808 123 HZ3 LYS 20 2HZ LYS 20 6.091 -2.169 6.183 124 H SER 21 H SER 21 1.426 -4.255 3.398 125 HA SER 21 HA SER 21 -1.082 -4.105 1.866 126 HB2 SER 21 1HB SER 21 -0.642 -5.788 4.344 127 HB3 SER 21 2HB SER 21 -2.137 -5.662 3.418 128 HG SER 21 HG SER 21 -0.009 -7.251 2.992 129 H PHE 22 H PHE 22 -2.835 -3.072 2.922 130 HA PHE 22 HA PHE 22 -2.284 -1.700 5.434 131 HB2 PHE 22 1HB PHE 22 -2.988 -0.236 2.882 132 HB3 PHE 22 2HB PHE 22 -2.965 0.491 4.485 133 HD1 PHE 22 HD2 PHE 22 -0.828 -1.197 1.971 134 HD2 PHE 22 HD1 PHE 22 -0.989 1.347 5.380 135 HE1 PHE 22 HE2 PHE 22 1.563 -0.687 1.699 136 HE2 PHE 22 HE1 PHE 22 1.402 1.862 5.112 137 HZ PHE 22 HZ PHE 22 2.682 0.843 3.271 138 H ARG 23 H ARG 23 -4.040 -1.597 6.689 139 HA ARG 23 HA ARG 23 -6.432 -2.880 5.969 140 HB2 ARG 23 1HB ARG 23 -5.669 -1.088 8.261 141 HB3 ARG 23 2HB ARG 23 -7.307 -1.705 8.093 142 HG2 ARG 23 1HG ARG 23 -6.311 -4.016 8.031 143 HG3 ARG 23 2HG ARG 23 -4.777 -3.275 8.494 144 HD2 ARG 23 1HD ARG 23 -6.008 -2.268 10.460 145 HD3 ARG 23 2HD ARG 23 -7.356 -3.327 10.044 146 HE ARG 23 HE ARG 23 -4.885 -4.078 11.307 147 HH11 ARG 23 1HH1 ARG 23 -7.579 -5.182 9.399 148 HH12 ARG 23 2HH1 ARG 23 -7.416 -6.836 9.890 149 HH21 ARG 23 1HH2 ARG 23 -4.660 -6.251 11.960 150 HH22 ARG 23 2HH2 ARG 23 -5.756 -7.443 11.347 151 H TRP 24 H TRP 24 -5.839 0.588 6.564 152 HA TRP 24 HA TRP 24 -8.340 1.222 5.192 153 HB2 TRP 24 1HB TRP 24 -6.454 2.852 6.892 154 HB3 TRP 24 2HB TRP 24 -7.776 3.582 5.985 155 HD1 TRP 24 HD1 TRP 24 -7.045 2.262 9.303 156 HE1 TRP 24 HE1 TRP 24 -9.206 1.767 10.610 157 HE3 TRP 24 HE3 TRP 24 -10.392 2.466 5.444 158 HZ2 TRP 24 HZ2 TRP 24 -11.965 1.498 10.075 159 HZ3 TRP 24 HZ3 TRP 24 -12.773 2.077 5.926 160 HH2 TRP 24 HH2 TRP 24 -13.541 1.603 8.195 161 H ALA 25 H ALA 25 -8.418 2.820 3.517 162 HA ALA 25 HA ALA 25 -6.432 2.468 1.534 163 HB1 ALA 25 3HB ALA 25 -7.718 4.012 0.203 164 HB2 ALA 25 1HB ALA 25 -8.815 2.924 1.055 165 HB3 ALA 25 2HB ALA 25 -8.586 4.576 1.631 166 H SER 26 H SER 26 -7.353 5.360 3.410 167 HA SER 26 HA SER 26 -5.549 7.178 2.498 168 HB2 SER 26 1HB SER 26 -6.221 6.790 5.424 169 HB3 SER 26 2HB SER 26 -5.680 8.283 4.657 170 HG SER 26 HG SER 26 -8.163 7.341 4.890 171 H CYS 27 H CYS 27 -4.940 4.715 4.982 172 HA CYS 27 HA CYS 27 -2.363 5.385 5.698 173 HB2 CYS 27 1HB CYS 27 -3.969 3.449 6.489 174 HB3 CYS 27 2HB CYS 27 -3.053 2.498 5.326 175 HG CYS 27 HG CYS 27 -1.682 1.816 7.474 176 H LEU 28 H LEU 28 -3.273 3.014 3.190 177 HA LEU 28 HA LEU 28 -0.741 2.480 2.217 178 HB2 LEU 28 1HB LEU 28 -2.397 1.089 1.407 179 HB3 LEU 28 2HB LEU 28 -3.468 2.430 1.005 180 HG LEU 28 HG LEU 28 -2.099 2.964 -0.937 181 HD11 LEU 28 1HD1 LEU 28 0.084 2.419 -0.494 182 HD12 LEU 28 2HD1 LEU 28 -0.389 1.073 -1.530 183 HD13 LEU 28 3HD1 LEU 28 -0.333 0.861 0.220 184 HD21 LEU 28 3HD2 LEU 28 -2.473 0.814 -2.207 185 HD22 LEU 28 1HD2 LEU 28 -3.883 1.474 -1.377 186 HD23 LEU 28 2HD2 LEU 28 -3.011 0.107 -0.682 187 H LEU 29 H LEU 29 -2.977 5.062 1.277 188 HA LEU 29 HA LEU 29 -1.554 6.121 -0.862 189 HB2 LEU 29 1HB LEU 29 -3.704 6.955 -0.558 190 HB3 LEU 29 2HB LEU 29 -3.429 7.305 1.147 191 HG LEU 29 HG LEU 29 -1.779 9.097 0.266 192 HD11 LEU 29 1HD1 LEU 29 -2.108 9.920 -1.905 193 HD12 LEU 29 2HD1 LEU 29 -3.561 8.950 -2.146 194 HD13 LEU 29 3HD1 LEU 29 -1.979 8.172 -2.097 195 HD21 LEU 29 3HD2 LEU 29 -4.663 9.670 -0.305 196 HD22 LEU 29 1HD2 LEU 29 -3.446 10.708 0.437 197 HD23 LEU 29 2HD2 LEU 29 -4.110 9.344 1.338 198 H LYS 30 H LYS 30 -1.346 6.961 2.587 199 HA LYS 30 HA LYS 30 0.611 8.950 2.351 200 HB2 LYS 30 1HB LYS 30 -0.817 8.368 4.383 201 HB3 LYS 30 2HB LYS 30 0.344 7.088 4.708 202 HG2 LYS 30 1HG LYS 30 2.088 8.631 5.089 203 HG3 LYS 30 2HG LYS 30 1.149 9.967 4.417 204 HD2 LYS 30 1HD LYS 30 0.251 8.446 6.850 205 HD3 LYS 30 2HD LYS 30 1.338 9.833 6.959 206 HE2 LYS 30 1HE LYS 30 -1.235 10.045 5.447 207 HE3 LYS 30 2HE LYS 30 -1.226 10.184 7.204 208 HZ1 LYS 30 3HZ LYS 30 -0.726 12.310 6.889 209 HZ2 LYS 30 1HZ LYS 30 -0.429 12.088 5.238 210 HZ3 LYS 30 2HZ LYS 30 0.804 11.816 6.363 211 H HIS 31 H HIS 31 0.898 5.452 2.778 212 HA HIS 31 HA HIS 31 3.678 5.344 3.154 213 HB2 HIS 31 1HB HIS 31 2.655 3.344 3.680 214 HB3 HIS 31 2HB HIS 31 1.589 3.397 2.279 215 HD1 HIS 31 HD1 HIS 31 5.216 2.703 3.130 216 HD2 HIS 31 HD2 HIS 31 2.428 1.909 0.154 217 HE1 HIS 31 HE1 HIS 31 6.339 1.078 1.572 218 H GLN 32 H GLN 32 1.708 5.297 0.222 219 HA GLN 32 HA GLN 32 3.491 4.608 -1.710 220 HB2 GLN 32 1HB GLN 32 1.422 6.804 -1.760 221 HB3 GLN 32 2HB GLN 32 2.299 6.279 -3.191 222 HG2 GLN 32 1HG GLN 32 1.360 4.083 -3.039 223 HG3 GLN 32 2HG GLN 32 0.615 4.461 -1.487 224 HE21 GLN 32 1HE2 GLN 32 -1.355 3.761 -2.531 225 HE22 GLN 32 2HE2 GLN 32 -2.239 4.876 -3.512 226 H ARG 33 H ARG 33 3.570 7.440 0.270 227 HA ARG 33 HA ARG 33 5.044 9.228 -1.213 228 HB2 ARG 33 1HB ARG 33 5.053 8.596 1.728 229 HB3 ARG 33 2HB ARG 33 6.074 9.864 1.063 230 HG2 ARG 33 1HG ARG 33 4.156 11.073 0.273 231 HG3 ARG 33 2HG ARG 33 3.083 9.755 0.749 232 HD2 ARG 33 1HD ARG 33 4.572 11.701 2.468 233 HD3 ARG 33 2HD ARG 33 2.859 11.283 2.487 234 HE ARG 33 HE ARG 33 3.336 9.463 3.823 235 HH11 ARG 33 1HH1 ARG 33 6.283 10.895 2.648 236 HH12 ARG 33 2HH1 ARG 33 7.303 9.989 3.716 237 HH21 ARG 33 1HH2 ARG 33 4.668 8.265 5.235 238 HH22 ARG 33 2HH2 ARG 33 6.383 8.493 5.187 239 H VAL 34 H VAL 34 6.236 6.496 0.710 240 HA VAL 34 HA VAL 34 8.957 6.885 0.487 241 HB VAL 34 HB VAL 34 9.202 4.428 0.683 242 HG11 VAL 34 1HG1 VAL 34 7.760 4.231 2.800 243 HG12 VAL 34 2HG1 VAL 34 8.976 5.508 2.739 244 HG13 VAL 34 3HG1 VAL 34 7.277 5.892 2.456 245 HG21 VAL 34 3HG2 VAL 34 6.485 4.507 -0.334 246 HG22 VAL 34 1HG2 VAL 34 7.633 3.169 -0.279 247 HG23 VAL 34 2HG2 VAL 34 6.625 3.525 1.124 248 H HIS 35 H HIS 35 6.693 5.908 -1.946 249 HA HIS 35 HA HIS 35 8.822 5.098 -3.775 250 HB2 HIS 35 1HB HIS 35 5.813 5.055 -4.084 251 HB3 HIS 35 2HB HIS 35 6.955 4.478 -5.295 252 HD1 HIS 35 HD1 HIS 35 8.683 2.547 -4.178 253 HD2 HIS 35 HD2 HIS 35 4.899 3.049 -2.538 254 HE1 HIS 35 HE1 HIS 35 8.210 0.423 -2.917 255 H SER 36 H SER 36 6.505 7.665 -3.244 256 HA SER 36 HA SER 36 6.655 8.935 -5.736 257 HB2 SER 36 1HB SER 36 5.917 9.802 -2.973 258 HB3 SER 36 2HB SER 36 6.158 11.039 -4.206 259 HG SER 36 HG SER 36 4.245 8.978 -4.101 260 H GLY 37 H GLY 37 8.577 9.410 -2.785 261 HA2 GLY 37 1HA GLY 37 10.396 11.150 -4.309 262 HA3 GLY 37 2HA GLY 37 10.298 11.063 -2.557 263 H GLU 38 H GLU 38 10.519 8.431 -2.010 264 HA GLU 38 HA GLU 38 11.950 6.656 -1.880 265 HB2 GLU 38 1HB GLU 38 11.815 6.805 -4.438 266 HB3 GLU 38 2HB GLU 38 13.352 7.653 -4.351 267 HG2 GLU 38 1HG GLU 38 14.210 5.644 -3.054 268 HG3 GLU 38 2HG GLU 38 12.743 4.821 -3.579 269 H LYS 39 H LYS 39 12.444 8.985 -0.452 270 HA LYS 39 HA LYS 39 15.131 8.609 0.322 271 HB2 LYS 39 1HB LYS 39 15.763 9.841 -1.622 272 HB3 LYS 39 2HB LYS 39 14.527 11.058 -1.333 273 HG2 LYS 39 1HG LYS 39 15.842 11.449 0.888 274 HG3 LYS 39 2HG LYS 39 17.160 10.674 0.006 275 HD2 LYS 39 1HD LYS 39 17.280 12.371 -1.563 276 HD3 LYS 39 2HD LYS 39 15.621 12.899 -1.268 277 HE2 LYS 39 1HE LYS 39 17.682 13.126 0.888 278 HE3 LYS 39 2HE LYS 39 17.609 14.332 -0.396 279 HZ1 LYS 39 3HZ LYS 39 15.544 15.052 0.278 280 HZ2 LYS 39 1HZ LYS 39 16.272 14.696 1.763 281 HZ3 LYS 39 2HZ LYS 39 15.167 13.612 1.081 282 HA PRO 40 HA PRO 40 13.378 10.363 3.959 283 HB2 PRO 40 1HB PRO 40 15.663 10.866 5.337 284 HB3 PRO 40 2HB PRO 40 15.016 9.236 5.111 285 HG2 PRO 40 1HG PRO 40 17.206 10.629 3.618 286 HG3 PRO 40 2HG PRO 40 17.141 8.958 4.208 287 HD2 PRO 40 1HD PRO 40 16.661 9.610 1.625 288 HD3 PRO 40 2HD PRO 40 15.858 8.247 2.430 289 H SER 41 H SER 41 12.510 12.331 4.055 290 HA SER 41 HA SER 41 13.548 14.618 2.819 291 HB2 SER 41 1HB SER 41 11.133 14.108 3.628 292 HB3 SER 41 2HB SER 41 11.674 14.779 5.167 293 HG SER 41 HG SER 41 10.800 16.117 3.121 294 H GLY 42 H GLY 42 15.261 15.787 3.354 295 HA2 GLY 42 1HA GLY 42 15.963 17.328 5.272 296 HA3 GLY 42 2HA GLY 42 16.106 15.829 6.178 297 HA PRO 43 HA PRO 43 20.002 16.940 3.611 298 HB2 PRO 43 1HB PRO 43 21.464 18.220 5.507 299 HB3 PRO 43 2HB PRO 43 20.392 19.068 4.386 300 HG2 PRO 43 1HG PRO 43 19.906 18.263 7.228 301 HG3 PRO 43 2HG PRO 43 19.508 19.787 6.414 302 HD2 PRO 43 1HD PRO 43 17.670 17.849 6.857 303 HD3 PRO 43 2HD PRO 43 17.609 18.916 5.440 304 H SER 44 H SER 44 19.680 16.113 7.049 305 HA SER 44 HA SER 44 21.225 13.700 6.627 306 HB2 SER 44 1HB SER 44 22.226 16.009 8.258 307 HB3 SER 44 2HB SER 44 22.623 14.361 8.746 308 HG SER 44 HG SER 44 24.124 15.479 7.254 309 H SER 45 H SER 45 21.004 12.174 8.326 310 HA SER 45 HA SER 45 18.598 12.618 9.928 311 HB2 SER 45 1HB SER 45 18.732 10.601 8.476 312 HB3 SER 45 2HB SER 45 20.109 10.042 9.426 313 HG SER 45 HG SER 45 17.444 10.439 10.310 314 H GLY 46 H GLY 46 18.527 11.903 12.160 315 HA2 GLY 46 1HA GLY 46 20.601 12.957 13.719 316 HA3 GLY 46 2HA GLY 46 19.310 11.925 14.316 Start of MODEL 14 1 H1 GLY 1 1H GLY 1 6.804 -26.229 5.652 2 HA2 GLY 1 1HA GLY 1 5.841 -24.177 7.458 3 HA3 GLY 1 2HA GLY 1 4.909 -25.515 6.802 4 H SER 2 H SER 2 5.786 -24.277 9.600 5 HA SER 2 HA SER 2 6.138 -26.909 10.880 6 HB2 SER 2 1HB SER 2 8.110 -25.266 11.006 7 HB3 SER 2 2HB SER 2 7.094 -24.318 12.091 8 HG SER 2 HG SER 2 7.163 -25.905 13.572 9 H SER 3 H SER 3 3.863 -27.124 11.056 10 HA SER 3 HA SER 3 1.803 -26.875 12.005 11 HB2 SER 3 1HB SER 3 3.180 -27.571 13.966 12 HB3 SER 3 2HB SER 3 3.413 -25.869 14.364 13 HG SER 3 HG SER 3 1.597 -26.032 15.392 14 H GLY 4 H GLY 4 2.499 -24.725 10.382 15 HA2 GLY 4 1HA GLY 4 1.476 -22.709 9.861 16 HA3 GLY 4 2HA GLY 4 0.751 -22.698 11.462 17 H SER 5 H SER 5 2.996 -21.241 9.481 18 HA SER 5 HA SER 5 4.894 -20.464 11.499 19 HB2 SER 5 1HB SER 5 5.328 -20.684 8.972 20 HB3 SER 5 2HB SER 5 4.536 -19.115 8.826 21 HG SER 5 HG SER 5 6.597 -18.561 9.117 22 H SER 6 H SER 6 2.459 -18.695 9.585 23 HA SER 6 HA SER 6 1.660 -17.127 11.840 24 HB2 SER 6 1HB SER 6 2.332 -14.930 10.901 25 HB3 SER 6 2HB SER 6 3.720 -15.931 11.324 26 HG SER 6 HG SER 6 4.174 -16.220 9.239 27 H GLY 7 H GLY 7 -0.055 -15.573 11.281 28 HA2 GLY 7 1HA GLY 7 -1.366 -16.249 8.722 29 HA3 GLY 7 2HA GLY 7 -2.263 -16.208 10.233 30 H THR 8 H THR 8 -0.056 -14.110 8.376 31 HA THR 8 HA THR 8 -0.729 -11.671 9.402 32 HB THR 8 HB THR 8 -0.324 -12.140 6.445 33 HG1 THR 8 HG1 THR 8 1.432 -12.322 8.617 34 HG21 THR 8 3HG2 THR 8 1.009 -9.847 7.479 35 HG22 THR 8 1HG2 THR 8 -0.669 -9.801 8.019 36 HG23 THR 8 2HG2 THR 8 -0.299 -9.919 6.298 37 H GLY 9 H GLY 9 -2.618 -10.693 9.686 38 HA2 GLY 9 1HA GLY 9 -5.076 -11.484 8.770 39 HA3 GLY 9 2HA GLY 9 -4.701 -9.829 9.227 40 H GLU 10 H GLU 10 -6.181 -11.407 6.925 41 HA GLU 10 HA GLU 10 -4.943 -10.502 4.532 42 HB2 GLU 10 1HB GLU 10 -6.631 -12.399 4.792 43 HB3 GLU 10 2HB GLU 10 -7.868 -11.152 4.855 44 HG2 GLU 10 1HG GLU 10 -7.825 -11.885 2.632 45 HG3 GLU 10 2HG GLU 10 -6.976 -10.340 2.634 46 H LYS 11 H LYS 11 -4.857 -8.506 3.769 47 HA LYS 11 HA LYS 11 -6.897 -6.570 4.645 48 HB2 LYS 11 1HB LYS 11 -3.971 -6.309 4.082 49 HB3 LYS 11 2HB LYS 11 -5.015 -4.915 3.839 50 HG2 LYS 11 1HG LYS 11 -5.583 -4.799 6.102 51 HG3 LYS 11 2HG LYS 11 -5.015 -6.440 6.419 52 HD2 LYS 11 1HD LYS 11 -2.756 -5.798 6.282 53 HD3 LYS 11 2HD LYS 11 -3.155 -4.261 5.510 54 HE2 LYS 11 1HE LYS 11 -4.254 -3.537 7.598 55 HE3 LYS 11 2HE LYS 11 -3.769 -5.052 8.357 56 HZ1 LYS 11 3HZ LYS 11 -1.487 -4.460 8.132 57 HZ2 LYS 11 1HZ LYS 11 -2.283 -3.147 8.842 58 HZ3 LYS 11 2HZ LYS 11 -1.859 -3.095 7.205 59 HA PRO 12 HA PRO 12 -8.260 -6.204 0.475 60 HB2 PRO 12 1HB PRO 12 -9.360 -3.725 0.595 61 HB3 PRO 12 2HB PRO 12 -10.111 -5.146 1.330 62 HG2 PRO 12 1HG PRO 12 -8.457 -3.002 2.608 63 HG3 PRO 12 2HG PRO 12 -9.949 -3.763 3.193 64 HD2 PRO 12 1HD PRO 12 -7.499 -4.466 4.108 65 HD3 PRO 12 2HD PRO 12 -8.840 -5.623 3.982 66 H TYR 13 H TYR 13 -6.575 -3.376 1.830 67 HA TYR 13 HA TYR 13 -5.691 -2.560 -0.813 68 HB2 TYR 13 1HB TYR 13 -4.962 -1.336 1.851 69 HB3 TYR 13 2HB TYR 13 -4.812 -0.597 0.261 70 HD1 TYR 13 HD2 TYR 13 -6.769 0.277 -0.895 71 HD2 TYR 13 HD1 TYR 13 -7.112 -1.481 2.965 72 HE1 TYR 13 HE2 TYR 13 -9.014 1.254 -0.656 73 HE2 TYR 13 HE1 TYR 13 -9.358 -0.510 3.214 74 HH TYR 13 HH TYR 13 -10.600 1.838 1.009 75 H ASN 14 H ASN 14 -3.792 -3.062 -1.689 76 HA ASN 14 HA ASN 14 -1.554 -3.823 0.032 77 HB2 ASN 14 1HB ASN 14 -2.309 -5.509 -2.355 78 HB3 ASN 14 2HB ASN 14 -1.114 -5.866 -1.111 79 HD21 ASN 14 1HD2 ASN 14 -4.083 -6.645 -2.185 80 HD22 ASN 14 2HD2 ASN 14 -4.794 -7.221 -0.719 81 H CYS 15 H CYS 15 0.058 -2.528 -0.521 82 HA CYS 15 HA CYS 15 0.199 -0.948 -2.795 83 HB2 CYS 15 1HB CYS 15 1.527 -0.493 -0.800 84 HB3 CYS 15 2HB CYS 15 2.463 -1.961 -1.064 85 H LYS 16 H LYS 16 1.238 -1.102 -4.759 86 HA LYS 16 HA LYS 16 1.855 -3.833 -5.623 87 HB2 LYS 16 1HB LYS 16 1.263 -1.327 -7.206 88 HB3 LYS 16 2HB LYS 16 1.664 -2.881 -7.924 89 HG2 LYS 16 1HG LYS 16 -0.647 -2.590 -6.041 90 HG3 LYS 16 2HG LYS 16 -0.802 -2.219 -7.759 91 HD2 LYS 16 1HD LYS 16 -0.142 -4.466 -8.347 92 HD3 LYS 16 2HD LYS 16 0.178 -4.850 -6.654 93 HE2 LYS 16 1HE LYS 16 -2.525 -3.997 -7.668 94 HE3 LYS 16 2HE LYS 16 -2.018 -5.684 -7.586 95 HZ1 LYS 16 3HZ LYS 16 -3.310 -4.915 -5.635 96 HZ2 LYS 16 1HZ LYS 16 -2.051 -3.851 -5.252 97 HZ3 LYS 16 2HZ LYS 16 -1.782 -5.521 -5.235 98 H GLU 17 H GLU 17 3.295 -0.728 -5.102 99 HA GLU 17 HA GLU 17 5.573 -0.971 -6.727 100 HB2 GLU 17 1HB GLU 17 4.958 0.588 -4.237 101 HB3 GLU 17 2HB GLU 17 6.579 0.600 -4.915 102 HG2 GLU 17 1HG GLU 17 4.089 1.389 -6.407 103 HG3 GLU 17 2HG GLU 17 5.202 2.514 -5.631 104 H CYS 18 H CYS 18 5.400 -1.407 -3.188 105 HA CYS 18 HA CYS 18 7.800 -3.064 -3.307 106 HB2 CYS 18 1HB CYS 18 7.794 -2.878 -0.851 107 HB3 CYS 18 2HB CYS 18 7.740 -1.296 -1.621 108 H GLY 19 H GLY 19 4.421 -3.240 -2.262 109 HA2 GLY 19 1HA GLY 19 3.207 -5.304 -2.704 110 HA3 GLY 19 2HA GLY 19 4.675 -6.181 -2.300 111 H LYS 20 H LYS 20 3.503 -3.445 -0.456 112 HA LYS 20 HA LYS 20 3.332 -5.137 1.902 113 HB2 LYS 20 1HB LYS 20 3.461 -2.201 1.389 114 HB3 LYS 20 2HB LYS 20 2.738 -2.748 2.896 115 HG2 LYS 20 1HG LYS 20 4.827 -4.049 3.330 116 HG3 LYS 20 2HG LYS 20 5.535 -3.262 1.918 117 HD2 LYS 20 1HD LYS 20 5.332 -1.107 2.930 118 HD3 LYS 20 2HD LYS 20 4.373 -1.761 4.260 119 HE2 LYS 20 1HE LYS 20 6.531 -1.474 5.143 120 HE3 LYS 20 2HE LYS 20 6.401 -3.199 4.803 121 HZ1 LYS 20 3HZ LYS 20 8.459 -1.724 4.034 122 HZ2 LYS 20 1HZ LYS 20 7.477 -1.543 2.669 123 HZ3 LYS 20 2HZ LYS 20 7.939 -3.088 3.178 124 H SER 21 H SER 21 1.470 -4.241 3.481 125 HA SER 21 HA SER 21 -1.048 -4.301 1.951 126 HB2 SER 21 1HB SER 21 -2.025 -5.704 3.730 127 HB3 SER 21 2HB SER 21 -0.651 -6.500 2.962 128 HG SER 21 HG SER 21 0.481 -5.286 4.865 129 H PHE 22 H PHE 22 -2.928 -3.481 3.188 130 HA PHE 22 HA PHE 22 -2.419 -1.790 5.462 131 HB2 PHE 22 1HB PHE 22 -3.216 -0.519 2.834 132 HB3 PHE 22 2HB PHE 22 -3.097 0.306 4.385 133 HD1 PHE 22 HD2 PHE 22 -1.181 -1.341 1.709 134 HD2 PHE 22 HD1 PHE 22 -1.005 1.021 5.245 135 HE1 PHE 22 HE2 PHE 22 1.187 -0.850 1.258 136 HE2 PHE 22 HE1 PHE 22 1.364 1.517 4.800 137 HZ PHE 22 HZ PHE 22 2.463 0.580 2.805 138 H ARG 23 H ARG 23 -4.282 -1.220 6.553 139 HA ARG 23 HA ARG 23 -6.626 -2.752 5.877 140 HB2 ARG 23 1HB ARG 23 -5.589 -2.182 8.235 141 HB3 ARG 23 2HB ARG 23 -6.597 -0.748 8.094 142 HG2 ARG 23 1HG ARG 23 -7.812 -3.424 7.613 143 HG3 ARG 23 2HG ARG 23 -7.490 -2.903 9.268 144 HD2 ARG 23 1HD ARG 23 -8.948 -1.088 9.106 145 HD3 ARG 23 2HD ARG 23 -8.948 -1.129 7.343 146 HE ARG 23 HE ARG 23 -10.069 -3.482 7.938 147 HH11 ARG 23 1HH1 ARG 23 -10.678 -0.271 9.137 148 HH12 ARG 23 2HH1 ARG 23 -12.357 -0.565 9.448 149 HH21 ARG 23 1HH2 ARG 23 -12.278 -3.881 8.342 150 HH22 ARG 23 2HH2 ARG 23 -13.266 -2.619 8.996 151 H TRP 24 H TRP 24 -5.816 0.690 6.180 152 HA TRP 24 HA TRP 24 -8.359 1.341 4.850 153 HB2 TRP 24 1HB TRP 24 -6.574 2.943 6.678 154 HB3 TRP 24 2HB TRP 24 -7.827 3.699 5.697 155 HD1 TRP 24 HD1 TRP 24 -7.352 2.475 9.058 156 HE1 TRP 24 HE1 TRP 24 -9.590 1.926 10.204 157 HE3 TRP 24 HE3 TRP 24 -10.378 2.409 4.938 158 HZ2 TRP 24 HZ2 TRP 24 -12.282 1.518 9.460 159 HZ3 TRP 24 HZ3 TRP 24 -12.773 1.931 5.242 160 HH2 TRP 24 HH2 TRP 24 -13.703 1.495 7.457 161 H ALA 25 H ALA 25 -8.365 2.930 3.177 162 HA ALA 25 HA ALA 25 -6.322 2.609 1.273 163 HB1 ALA 25 3HB ALA 25 -8.810 4.147 1.489 164 HB2 ALA 25 1HB ALA 25 -7.593 4.854 0.427 165 HB3 ALA 25 2HB ALA 25 -8.165 3.210 0.142 166 H SER 26 H SER 26 -7.173 5.450 3.254 167 HA SER 26 HA SER 26 -5.213 7.189 2.420 168 HB2 SER 26 1HB SER 26 -5.381 8.202 4.714 169 HB3 SER 26 2HB SER 26 -6.937 7.936 3.927 170 HG SER 26 HG SER 26 -6.995 5.912 5.145 171 H CYS 27 H CYS 27 -4.967 4.608 4.818 172 HA CYS 27 HA CYS 27 -2.421 5.179 5.804 173 HB2 CYS 27 1HB CYS 27 -4.024 2.654 5.562 174 HB3 CYS 27 2HB CYS 27 -2.368 2.593 6.153 175 HG CYS 27 HG CYS 27 -2.780 4.056 8.412 176 H LEU 28 H LEU 28 -3.426 3.422 2.923 177 HA LEU 28 HA LEU 28 -0.785 2.534 2.258 178 HB2 LEU 28 1HB LEU 28 -2.423 1.165 1.381 179 HB3 LEU 28 2HB LEU 28 -3.445 2.521 0.906 180 HG LEU 28 HG LEU 28 -1.890 3.012 -0.943 181 HD11 LEU 28 1HD1 LEU 28 0.152 2.159 -0.992 182 HD12 LEU 28 2HD1 LEU 28 -0.513 0.527 -1.070 183 HD13 LEU 28 3HD1 LEU 28 -0.185 1.272 0.495 184 HD21 LEU 28 3HD2 LEU 28 -2.297 0.606 -2.048 185 HD22 LEU 28 1HD2 LEU 28 -3.579 1.797 -1.830 186 HD23 LEU 28 2HD2 LEU 28 -3.391 0.482 -0.669 187 H LEU 29 H LEU 29 -2.884 5.189 1.242 188 HA LEU 29 HA LEU 29 -1.344 6.174 -0.864 189 HB2 LEU 29 1HB LEU 29 -3.472 7.079 -0.682 190 HB3 LEU 29 2HB LEU 29 -3.289 7.413 1.039 191 HG LEU 29 HG LEU 29 -1.626 9.207 0.376 192 HD11 LEU 29 1HD1 LEU 29 -2.875 8.795 -2.336 193 HD12 LEU 29 2HD1 LEU 29 -1.221 8.364 -1.905 194 HD13 LEU 29 3HD1 LEU 29 -1.725 10.053 -1.882 195 HD21 LEU 29 3HD2 LEU 29 -3.307 10.820 0.132 196 HD22 LEU 29 1HD2 LEU 29 -4.083 9.500 1.008 197 HD23 LEU 29 2HD2 LEU 29 -4.377 9.705 -0.719 198 H LYS 30 H LYS 30 -1.202 6.902 2.601 199 HA LYS 30 HA LYS 30 0.748 8.909 2.490 200 HB2 LYS 30 1HB LYS 30 -0.726 8.104 4.470 201 HB3 LYS 30 2HB LYS 30 0.574 6.957 4.767 202 HG2 LYS 30 1HG LYS 30 1.113 8.719 6.157 203 HG3 LYS 30 2HG LYS 30 2.107 9.032 4.732 204 HD2 LYS 30 1HD LYS 30 1.172 11.113 5.216 205 HD3 LYS 30 2HD LYS 30 0.133 10.482 3.936 206 HE2 LYS 30 1HE LYS 30 -1.392 9.632 5.754 207 HE3 LYS 30 2HE LYS 30 -0.418 10.557 6.896 208 HZ1 LYS 30 3HZ LYS 30 -1.341 12.471 6.246 209 HZ2 LYS 30 1HZ LYS 30 -2.566 11.508 5.586 210 HZ3 LYS 30 2HZ LYS 30 -1.308 12.065 4.604 211 H HIS 31 H HIS 31 1.081 5.399 2.923 212 HA HIS 31 HA HIS 31 3.856 5.317 3.236 213 HB2 HIS 31 1HB HIS 31 2.882 3.294 3.745 214 HB3 HIS 31 2HB HIS 31 1.775 3.361 2.378 215 HD1 HIS 31 HD1 HIS 31 5.515 2.911 2.935 216 HD2 HIS 31 HD2 HIS 31 2.478 1.685 0.379 217 HE1 HIS 31 HE1 HIS 31 6.583 1.263 1.364 218 H GLN 32 H GLN 32 1.875 5.149 0.301 219 HA GLN 32 HA GLN 32 3.728 4.569 -1.610 220 HB2 GLN 32 1HB GLN 32 1.409 6.485 -1.664 221 HB3 GLN 32 2HB GLN 32 2.392 6.193 -3.093 222 HG2 GLN 32 1HG GLN 32 1.874 3.749 -2.816 223 HG3 GLN 32 2HG GLN 32 0.702 4.220 -1.587 224 HE21 GLN 32 1HE2 GLN 32 -1.284 4.686 -2.229 225 HE22 GLN 32 2HE2 GLN 32 -1.772 4.990 -3.858 226 H ARG 33 H ARG 33 3.571 7.406 0.340 227 HA ARG 33 HA ARG 33 4.820 9.343 -1.133 228 HB2 ARG 33 1HB ARG 33 5.005 8.622 1.776 229 HB3 ARG 33 2HB ARG 33 5.942 9.961 1.127 230 HG2 ARG 33 1HG ARG 33 3.800 10.937 0.279 231 HG3 ARG 33 2HG ARG 33 2.950 9.675 1.174 232 HD2 ARG 33 1HD ARG 33 3.582 10.531 3.233 233 HD3 ARG 33 2HD ARG 33 4.957 11.405 2.559 234 HE ARG 33 HE ARG 33 2.470 12.389 1.568 235 HH11 ARG 33 1HH1 ARG 33 4.648 12.493 4.282 236 HH12 ARG 33 2HH1 ARG 33 4.126 14.059 4.807 237 HH21 ARG 33 1HH2 ARG 33 1.774 14.451 2.249 238 HH22 ARG 33 2HH2 ARG 33 2.491 15.172 3.651 239 H VAL 34 H VAL 34 6.358 6.664 0.607 240 HA VAL 34 HA VAL 34 9.024 7.372 0.124 241 HB VAL 34 HB VAL 34 9.620 5.128 0.687 242 HG11 VAL 34 1HG1 VAL 34 9.064 5.930 2.716 243 HG12 VAL 34 2HG1 VAL 34 7.472 6.471 2.182 244 HG13 VAL 34 3HG1 VAL 34 7.736 4.776 2.595 245 HG21 VAL 34 3HG2 VAL 34 7.949 4.087 -0.887 246 HG22 VAL 34 1HG2 VAL 34 8.141 3.270 0.664 247 HG23 VAL 34 2HG2 VAL 34 6.740 4.302 0.379 248 H HIS 35 H HIS 35 6.664 5.736 -1.874 249 HA HIS 35 HA HIS 35 8.621 4.961 -3.861 250 HB2 HIS 35 1HB HIS 35 5.601 4.805 -3.845 251 HB3 HIS 35 2HB HIS 35 6.621 4.179 -5.137 252 HD1 HIS 35 HD1 HIS 35 8.575 2.426 -4.047 253 HD2 HIS 35 HD2 HIS 35 4.920 2.855 -2.119 254 HE1 HIS 35 HE1 HIS 35 8.328 0.378 -2.610 255 H SER 36 H SER 36 6.396 7.568 -3.282 256 HA SER 36 HA SER 36 6.119 8.601 -5.857 257 HB2 SER 36 1HB SER 36 6.099 9.905 -3.140 258 HB3 SER 36 2HB SER 36 5.843 10.836 -4.615 259 HG SER 36 HG SER 36 4.125 9.229 -3.283 260 H GLY 37 H GLY 37 7.064 10.827 -6.486 261 HA2 GLY 37 1HA GLY 37 9.842 10.484 -6.915 262 HA3 GLY 37 2HA GLY 37 8.910 11.922 -7.305 263 H GLU 38 H GLU 38 10.512 13.341 -6.621 264 HA GLU 38 HA GLU 38 11.926 14.414 -5.148 265 HB2 GLU 38 1HB GLU 38 10.715 15.548 -3.437 266 HB3 GLU 38 2HB GLU 38 9.615 15.341 -4.792 267 HG2 GLU 38 1HG GLU 38 9.609 13.275 -2.664 268 HG3 GLU 38 2HG GLU 38 8.884 14.842 -2.310 269 H LYS 39 H LYS 39 12.214 11.578 -4.979 270 HA LYS 39 HA LYS 39 12.751 11.219 -2.105 271 HB2 LYS 39 1HB LYS 39 11.227 9.537 -2.834 272 HB3 LYS 39 2HB LYS 39 12.174 9.211 -4.280 273 HG2 LYS 39 1HG LYS 39 14.033 8.558 -2.573 274 HG3 LYS 39 2HG LYS 39 12.673 8.383 -1.461 275 HD2 LYS 39 1HD LYS 39 12.862 6.252 -2.345 276 HD3 LYS 39 2HD LYS 39 11.624 6.974 -3.376 277 HE2 LYS 39 1HE LYS 39 14.481 7.209 -4.186 278 HE3 LYS 39 2HE LYS 39 13.669 5.658 -4.396 279 HZ1 LYS 39 3HZ LYS 39 13.283 8.157 -5.816 280 HZ2 LYS 39 1HZ LYS 39 11.863 7.321 -5.430 281 HZ3 LYS 39 2HZ LYS 39 13.067 6.564 -6.345 282 HA PRO 40 HA PRO 40 17.066 11.266 -2.983 283 HB2 PRO 40 1HB PRO 40 17.956 9.892 -0.818 284 HB3 PRO 40 2HB PRO 40 17.368 11.556 -0.724 285 HG2 PRO 40 1HG PRO 40 15.944 9.005 -0.073 286 HG3 PRO 40 2HG PRO 40 15.954 10.539 0.816 287 HD2 PRO 40 1HD PRO 40 13.913 9.808 -0.807 288 HD3 PRO 40 2HD PRO 40 14.393 11.502 -0.580 289 H SER 41 H SER 41 18.984 9.632 -2.884 290 HA SER 41 HA SER 41 18.200 7.364 -4.508 291 HB2 SER 41 1HB SER 41 20.247 8.967 -4.846 292 HB3 SER 41 2HB SER 41 21.031 7.905 -3.676 293 HG SER 41 HG SER 41 20.745 6.191 -5.057 294 H GLY 42 H GLY 42 18.368 5.234 -3.971 295 HA2 GLY 42 1HA GLY 42 19.631 4.460 -1.465 296 HA3 GLY 42 2HA GLY 42 17.890 4.234 -1.545 297 HA PRO 43 HA PRO 43 18.622 0.249 -3.243 298 HB2 PRO 43 1HB PRO 43 16.222 -0.165 -4.442 299 HB3 PRO 43 2HB PRO 43 16.444 -0.225 -2.689 300 HG2 PRO 43 1HG PRO 43 15.389 2.001 -4.390 301 HG3 PRO 43 2HG PRO 43 14.788 1.401 -2.833 302 HD2 PRO 43 1HD PRO 43 16.312 3.629 -3.046 303 HD3 PRO 43 2HD PRO 43 16.377 2.559 -1.631 304 H SER 44 H SER 44 18.957 -0.849 -5.221 305 HA SER 44 HA SER 44 18.569 0.615 -7.705 306 HB2 SER 44 1HB SER 44 21.298 -0.195 -6.681 307 HB3 SER 44 2HB SER 44 20.973 0.262 -8.353 308 HG SER 44 HG SER 44 19.965 2.211 -7.104 309 H SER 45 H SER 45 19.048 -0.713 -9.614 310 HA SER 45 HA SER 45 19.388 -3.556 -9.233 311 HB2 SER 45 1HB SER 45 16.893 -2.958 -8.854 312 HB3 SER 45 2HB SER 45 16.846 -2.703 -10.598 313 HG SER 45 HG SER 45 17.998 -5.066 -9.679 314 H GLY 46 H GLY 46 19.289 -4.725 -11.374 315 HA2 GLY 46 1HA GLY 46 21.058 -3.628 -13.192 316 HA3 GLY 46 2HA GLY 46 19.952 -4.943 -13.563 Start of MODEL 15 1 H1 GLY 1 1H GLY 1 13.407 -8.288 9.708 2 HA2 GLY 1 1HA GLY 1 13.040 -5.557 10.245 3 HA3 GLY 1 2HA GLY 1 12.325 -5.908 8.678 4 H SER 2 H SER 2 10.195 -6.003 8.926 5 HA SER 2 HA SER 2 9.135 -7.554 11.198 6 HB2 SER 2 1HB SER 2 8.643 -5.115 11.335 7 HB3 SER 2 2HB SER 2 7.782 -5.234 9.800 8 HG SER 2 HG SER 2 7.140 -6.582 12.215 9 H SER 3 H SER 3 9.260 -9.444 9.848 10 HA SER 3 HA SER 3 6.955 -9.646 8.043 11 HB2 SER 3 1HB SER 3 8.278 -11.014 6.472 12 HB3 SER 3 2HB SER 3 8.933 -9.384 6.620 13 HG SER 3 HG SER 3 10.729 -10.364 7.076 14 H GLY 4 H GLY 4 5.659 -10.959 9.181 15 HA2 GLY 4 1HA GLY 4 6.626 -13.015 10.909 16 HA3 GLY 4 2HA GLY 4 4.952 -12.748 10.447 17 H SER 5 H SER 5 5.325 -15.243 10.617 18 HA SER 5 HA SER 5 6.571 -16.489 8.360 19 HB2 SER 5 1HB SER 5 4.993 -17.410 10.717 20 HB3 SER 5 2HB SER 5 5.091 -18.486 9.323 21 HG SER 5 HG SER 5 7.278 -18.575 9.541 22 H SER 6 H SER 6 5.524 -15.384 6.619 23 HA SER 6 HA SER 6 3.858 -14.959 5.095 24 HB2 SER 6 1HB SER 6 3.060 -16.942 4.028 25 HB3 SER 6 2HB SER 6 4.668 -17.321 4.645 26 HG SER 6 HG SER 6 3.290 -18.988 5.199 27 H GLY 7 H GLY 7 2.994 -14.192 7.601 28 HA2 GLY 7 1HA GLY 7 0.698 -15.209 8.671 29 HA3 GLY 7 2HA GLY 7 1.021 -13.485 8.561 30 H THR 8 H THR 8 -1.531 -14.863 8.392 31 HA THR 8 HA THR 8 -2.585 -15.266 5.907 32 HB THR 8 HB THR 8 -3.939 -13.780 8.168 33 HG1 THR 8 HG1 THR 8 -3.490 -15.737 8.989 34 HG21 THR 8 3HG2 THR 8 -4.965 -13.724 5.796 35 HG22 THR 8 1HG2 THR 8 -5.993 -14.203 7.146 36 HG23 THR 8 2HG2 THR 8 -5.316 -15.429 6.074 37 H GLY 9 H GLY 9 -2.626 -12.109 7.585 38 HA2 GLY 9 1HA GLY 9 -2.713 -9.967 6.765 39 HA3 GLY 9 2HA GLY 9 -1.743 -10.580 5.434 40 H GLU 10 H GLU 10 -5.117 -10.594 6.583 41 HA GLU 10 HA GLU 10 -6.030 -10.667 3.808 42 HB2 GLU 10 1HB GLU 10 -7.012 -12.195 5.548 43 HB3 GLU 10 2HB GLU 10 -7.696 -10.773 6.324 44 HG2 GLU 10 1HG GLU 10 -8.279 -11.645 3.504 45 HG3 GLU 10 2HG GLU 10 -9.305 -11.969 4.900 46 H LYS 11 H LYS 11 -5.485 -8.545 3.196 47 HA LYS 11 HA LYS 11 -7.275 -6.494 4.316 48 HB2 LYS 11 1HB LYS 11 -4.340 -6.359 3.767 49 HB3 LYS 11 2HB LYS 11 -5.310 -4.909 3.543 50 HG2 LYS 11 1HG LYS 11 -5.840 -4.759 5.792 51 HG3 LYS 11 2HG LYS 11 -5.475 -6.459 6.094 52 HD2 LYS 11 1HD LYS 11 -3.351 -4.506 5.256 53 HD3 LYS 11 2HD LYS 11 -3.806 -4.717 6.948 54 HE2 LYS 11 1HE LYS 11 -3.002 -7.015 5.183 55 HE3 LYS 11 2HE LYS 11 -1.834 -6.082 6.118 56 HZ1 LYS 11 3HZ LYS 11 -4.070 -7.732 7.146 57 HZ2 LYS 11 1HZ LYS 11 -3.218 -6.637 8.114 58 HZ3 LYS 11 2HZ LYS 11 -2.413 -7.949 7.412 59 HA PRO 12 HA PRO 12 -8.631 -5.924 0.168 60 HB2 PRO 12 1HB PRO 12 -9.613 -3.401 0.374 61 HB3 PRO 12 2HB PRO 12 -10.428 -4.809 1.066 62 HG2 PRO 12 1HG PRO 12 -8.671 -2.789 2.406 63 HG3 PRO 12 2HG PRO 12 -10.195 -3.498 2.972 64 HD2 PRO 12 1HD PRO 12 -7.778 -4.346 3.852 65 HD3 PRO 12 2HD PRO 12 -9.172 -5.434 3.694 66 H TYR 13 H TYR 13 -6.601 -3.445 1.658 67 HA TYR 13 HA TYR 13 -5.761 -2.489 -0.973 68 HB2 TYR 13 1HB TYR 13 -4.934 -1.447 1.740 69 HB3 TYR 13 2HB TYR 13 -4.727 -0.649 0.186 70 HD1 TYR 13 HD2 TYR 13 -6.676 0.313 -0.983 71 HD2 TYR 13 HD1 TYR 13 -7.026 -1.371 2.909 72 HE1 TYR 13 HE2 TYR 13 -8.841 1.444 -0.695 73 HE2 TYR 13 HE1 TYR 13 -9.193 -0.246 3.207 74 HH TYR 13 HH TYR 13 -10.225 2.248 1.460 75 H ASN 14 H ASN 14 -3.807 -2.878 -1.842 76 HA ASN 14 HA ASN 14 -1.662 -3.962 -0.197 77 HB2 ASN 14 1HB ASN 14 -2.698 -5.423 -2.637 78 HB3 ASN 14 2HB ASN 14 -1.298 -5.883 -1.673 79 HD21 ASN 14 1HD2 ASN 14 -1.581 -6.993 0.189 80 HD22 ASN 14 2HD2 ASN 14 -3.118 -7.531 0.768 81 H CYS 15 H CYS 15 0.154 -2.949 -0.713 82 HA CYS 15 HA CYS 15 0.316 -1.335 -3.089 83 HB2 CYS 15 1HB CYS 15 1.252 -0.679 -0.839 84 HB3 CYS 15 2HB CYS 15 2.506 -1.890 -1.084 85 H LYS 16 H LYS 16 0.965 -2.042 -5.000 86 HA LYS 16 HA LYS 16 2.263 -4.600 -5.280 87 HB2 LYS 16 1HB LYS 16 1.117 -2.566 -7.140 88 HB3 LYS 16 2HB LYS 16 2.273 -3.726 -7.782 89 HG2 LYS 16 1HG LYS 16 -0.015 -4.731 -6.167 90 HG3 LYS 16 2HG LYS 16 -0.301 -4.208 -7.828 91 HD2 LYS 16 1HD LYS 16 1.962 -6.066 -7.240 92 HD3 LYS 16 2HD LYS 16 0.316 -6.698 -7.313 93 HE2 LYS 16 1HE LYS 16 0.908 -6.944 -9.501 94 HE3 LYS 16 2HE LYS 16 0.270 -5.302 -9.560 95 HZ1 LYS 16 3HZ LYS 16 2.257 -4.503 -10.098 96 HZ2 LYS 16 1HZ LYS 16 2.756 -6.098 -10.360 97 HZ3 LYS 16 2HZ LYS 16 3.040 -5.357 -8.866 98 H GLU 17 H GLU 17 3.153 -1.217 -5.514 99 HA GLU 17 HA GLU 17 5.519 -1.264 -6.868 100 HB2 GLU 17 1HB GLU 17 4.650 0.296 -4.455 101 HB3 GLU 17 2HB GLU 17 6.264 0.509 -5.118 102 HG2 GLU 17 1HG GLU 17 4.788 2.198 -5.987 103 HG3 GLU 17 2HG GLU 17 5.281 1.110 -7.283 104 H CYS 18 H CYS 18 5.391 -1.509 -3.310 105 HA CYS 18 HA CYS 18 7.973 -2.870 -3.347 106 HB2 CYS 18 1HB CYS 18 7.897 -2.550 -0.879 107 HB3 CYS 18 2HB CYS 18 7.777 -1.041 -1.778 108 H GLY 19 H GLY 19 4.640 -3.379 -2.270 109 HA2 GLY 19 1HA GLY 19 3.722 -5.629 -2.592 110 HA3 GLY 19 2HA GLY 19 5.268 -6.257 -2.041 111 H LYS 20 H LYS 20 3.568 -3.558 -0.568 112 HA LYS 20 HA LYS 20 3.378 -5.124 1.907 113 HB2 LYS 20 1HB LYS 20 3.612 -2.208 1.297 114 HB3 LYS 20 2HB LYS 20 2.831 -2.697 2.795 115 HG2 LYS 20 1HG LYS 20 4.831 -3.916 3.456 116 HG3 LYS 20 2HG LYS 20 5.616 -3.466 1.941 117 HD2 LYS 20 1HD LYS 20 4.968 -1.029 2.768 118 HD3 LYS 20 2HD LYS 20 5.025 -1.820 4.345 119 HE2 LYS 20 1HE LYS 20 7.282 -2.318 4.155 120 HE3 LYS 20 2HE LYS 20 7.265 -2.189 2.397 121 HZ1 LYS 20 3HZ LYS 20 7.866 -0.078 2.551 122 HZ2 LYS 20 1HZ LYS 20 7.993 -0.238 4.230 123 HZ3 LYS 20 2HZ LYS 20 6.542 0.286 3.539 124 H SER 21 H SER 21 1.461 -4.098 3.336 125 HA SER 21 HA SER 21 -0.962 -3.995 1.677 126 HB2 SER 21 1HB SER 21 -0.432 -6.307 2.750 127 HB3 SER 21 2HB SER 21 -0.942 -5.542 4.255 128 HG SER 21 HG SER 21 -2.520 -6.668 2.625 129 H PHE 22 H PHE 22 -2.893 -3.280 2.977 130 HA PHE 22 HA PHE 22 -2.354 -1.750 5.364 131 HB2 PHE 22 1HB PHE 22 -3.099 -0.367 2.780 132 HB3 PHE 22 2HB PHE 22 -3.177 0.391 4.367 133 HD1 PHE 22 HD2 PHE 22 -0.878 -1.132 1.904 134 HD2 PHE 22 HD1 PHE 22 -1.265 1.313 5.367 135 HE1 PHE 22 HE2 PHE 22 1.485 -0.476 1.702 136 HE2 PHE 22 HE1 PHE 22 1.097 1.973 5.170 137 HZ PHE 22 HZ PHE 22 2.475 1.077 3.336 138 H ARG 23 H ARG 23 -4.187 -1.315 6.542 139 HA ARG 23 HA ARG 23 -6.507 -2.848 5.902 140 HB2 ARG 23 1HB ARG 23 -5.889 -0.897 8.118 141 HB3 ARG 23 2HB ARG 23 -7.430 -1.733 7.988 142 HG2 ARG 23 1HG ARG 23 -6.112 -3.890 8.007 143 HG3 ARG 23 2HG ARG 23 -4.715 -2.917 8.471 144 HD2 ARG 23 1HD ARG 23 -5.557 -3.620 10.515 145 HD3 ARG 23 2HD ARG 23 -6.257 -2.011 10.334 146 HE ARG 23 HE ARG 23 -8.344 -2.964 10.138 147 HH11 ARG 23 1HH1 ARG 23 -5.893 -5.431 9.969 148 HH12 ARG 23 2HH1 ARG 23 -7.019 -6.741 10.103 149 HH21 ARG 23 1HH2 ARG 23 -9.836 -4.681 10.314 150 HH22 ARG 23 2HH2 ARG 23 -9.261 -6.314 10.298 151 H TRP 24 H TRP 24 -5.958 0.653 6.290 152 HA TRP 24 HA TRP 24 -8.466 1.144 4.845 153 HB2 TRP 24 1HB TRP 24 -6.865 2.731 6.813 154 HB3 TRP 24 2HB TRP 24 -7.905 3.579 5.672 155 HD1 TRP 24 HD1 TRP 24 -8.036 2.422 9.053 156 HE1 TRP 24 HE1 TRP 24 -10.444 1.965 9.840 157 HE3 TRP 24 HE3 TRP 24 -10.367 2.295 4.505 158 HZ2 TRP 24 HZ2 TRP 24 -12.993 1.597 8.686 159 HZ3 TRP 24 HZ3 TRP 24 -12.792 1.884 4.433 160 HH2 TRP 24 HH2 TRP 24 -14.076 1.542 6.481 161 H ALA 25 H ALA 25 -8.313 3.356 3.584 162 HA ALA 25 HA ALA 25 -6.375 2.919 1.503 163 HB1 ALA 25 3HB ALA 25 -8.747 3.612 1.097 164 HB2 ALA 25 1HB ALA 25 -8.326 5.201 1.737 165 HB3 ALA 25 2HB ALA 25 -7.537 4.600 0.278 166 H SER 26 H SER 26 -7.173 5.742 3.540 167 HA SER 26 HA SER 26 -5.127 7.416 2.839 168 HB2 SER 26 1HB SER 26 -5.279 8.302 5.212 169 HB3 SER 26 2HB SER 26 -6.807 8.215 4.336 170 HG SER 26 HG SER 26 -6.742 5.947 5.446 171 H CYS 27 H CYS 27 -4.984 4.611 4.932 172 HA CYS 27 HA CYS 27 -2.448 5.078 6.063 173 HB2 CYS 27 1HB CYS 27 -3.970 2.521 5.546 174 HB3 CYS 27 2HB CYS 27 -2.447 2.576 6.426 175 HG CYS 27 HG CYS 27 -5.129 2.515 7.872 176 H LEU 28 H LEU 28 -3.453 3.430 3.103 177 HA LEU 28 HA LEU 28 -0.791 2.606 2.419 178 HB2 LEU 28 1HB LEU 28 -2.434 1.217 1.551 179 HB3 LEU 28 2HB LEU 28 -3.446 2.569 1.045 180 HG LEU 28 HG LEU 28 -1.858 3.047 -0.776 181 HD11 LEU 28 1HD1 LEU 28 -0.432 0.646 -0.962 182 HD12 LEU 28 2HD1 LEU 28 -0.223 1.204 0.697 183 HD13 LEU 28 3HD1 LEU 28 0.210 2.258 -0.648 184 HD21 LEU 28 3HD2 LEU 28 -2.301 0.885 -2.056 185 HD22 LEU 28 1HD2 LEU 28 -3.701 1.749 -1.421 186 HD23 LEU 28 2HD2 LEU 28 -3.096 0.317 -0.587 187 H LEU 29 H LEU 29 -2.945 5.244 1.501 188 HA LEU 29 HA LEU 29 -1.534 6.306 -0.635 189 HB2 LEU 29 1HB LEU 29 -3.796 6.984 0.522 190 HB3 LEU 29 2HB LEU 29 -2.766 8.140 1.365 191 HG LEU 29 HG LEU 29 -3.052 7.957 -1.633 192 HD11 LEU 29 1HD1 LEU 29 -4.936 8.886 0.141 193 HD12 LEU 29 2HD1 LEU 29 -4.795 9.344 -1.556 194 HD13 LEU 29 3HD1 LEU 29 -4.053 10.345 -0.308 195 HD21 LEU 29 3HD2 LEU 29 -1.588 9.832 0.206 196 HD22 LEU 29 1HD2 LEU 29 -2.006 10.261 -1.453 197 HD23 LEU 29 2HD2 LEU 29 -0.944 8.888 -1.139 198 H LYS 30 H LYS 30 -1.308 7.332 2.775 199 HA LYS 30 HA LYS 30 0.764 9.132 2.538 200 HB2 LYS 30 1HB LYS 30 -0.022 7.283 4.779 201 HB3 LYS 30 2HB LYS 30 1.326 8.401 4.943 202 HG2 LYS 30 1HG LYS 30 -1.442 9.285 4.182 203 HG3 LYS 30 2HG LYS 30 -0.885 9.185 5.854 204 HD2 LYS 30 1HD LYS 30 0.586 10.755 3.751 205 HD3 LYS 30 2HD LYS 30 -0.710 11.456 4.724 206 HE2 LYS 30 1HE LYS 30 0.506 11.082 6.743 207 HE3 LYS 30 2HE LYS 30 1.719 10.119 5.901 208 HZ1 LYS 30 3HZ LYS 30 2.689 12.207 6.198 209 HZ2 LYS 30 1HZ LYS 30 1.283 13.040 5.760 210 HZ3 LYS 30 2HZ LYS 30 2.180 12.218 4.585 211 H HIS 31 H HIS 31 0.929 5.619 2.843 212 HA HIS 31 HA HIS 31 3.708 5.389 3.170 213 HB2 HIS 31 1HB HIS 31 2.533 3.434 3.641 214 HB3 HIS 31 2HB HIS 31 1.562 3.544 2.176 215 HD1 HIS 31 HD1 HIS 31 5.247 3.032 3.012 216 HD2 HIS 31 HD2 HIS 31 2.353 1.765 0.313 217 HE1 HIS 31 HE1 HIS 31 6.386 1.327 1.556 218 H GLN 32 H GLN 32 1.711 5.248 0.229 219 HA GLN 32 HA GLN 32 3.492 4.675 -1.708 220 HB2 GLN 32 1HB GLN 32 1.391 6.842 -1.745 221 HB3 GLN 32 2HB GLN 32 2.255 6.306 -3.180 222 HG2 GLN 32 1HG GLN 32 1.387 4.026 -2.806 223 HG3 GLN 32 2HG GLN 32 0.452 4.638 -1.443 224 HE21 GLN 32 1HE2 GLN 32 -1.557 4.289 -2.229 225 HE22 GLN 32 2HE2 GLN 32 -2.198 5.069 -3.631 226 H ARG 33 H ARG 33 3.423 7.588 0.200 227 HA ARG 33 HA ARG 33 4.821 9.430 -1.188 228 HB2 ARG 33 1HB ARG 33 5.274 8.617 1.687 229 HB3 ARG 33 2HB ARG 33 5.903 10.094 0.969 230 HG2 ARG 33 1HG ARG 33 2.988 9.579 0.762 231 HG3 ARG 33 2HG ARG 33 3.645 10.054 2.330 232 HD2 ARG 33 1HD ARG 33 3.045 12.074 1.315 233 HD3 ARG 33 2HD ARG 33 4.787 11.961 1.071 234 HE ARG 33 HE ARG 33 4.428 11.840 -1.185 235 HH11 ARG 33 1HH1 ARG 33 1.437 11.207 0.481 236 HH12 ARG 33 2HH1 ARG 33 0.479 11.217 -0.963 237 HH21 ARG 33 1HH2 ARG 33 3.177 11.856 -3.093 238 HH22 ARG 33 2HH2 ARG 33 1.470 11.585 -2.995 239 H VAL 34 H VAL 34 6.312 6.731 0.594 240 HA VAL 34 HA VAL 34 8.966 7.210 0.109 241 HB VAL 34 HB VAL 34 9.346 4.789 0.249 242 HG11 VAL 34 1HG1 VAL 34 7.280 4.930 2.272 243 HG12 VAL 34 2HG1 VAL 34 9.035 4.900 2.452 244 HG13 VAL 34 3HG1 VAL 34 8.203 6.430 2.174 245 HG21 VAL 34 3HG2 VAL 34 6.498 4.723 -0.507 246 HG22 VAL 34 1HG2 VAL 34 7.791 3.570 -0.841 247 HG23 VAL 34 2HG2 VAL 34 6.989 3.565 0.730 248 H HIS 35 H HIS 35 6.594 5.787 -2.078 249 HA HIS 35 HA HIS 35 8.556 5.240 -4.122 250 HB2 HIS 35 1HB HIS 35 5.533 5.169 -4.243 251 HB3 HIS 35 2HB HIS 35 6.623 4.551 -5.481 252 HD1 HIS 35 HD1 HIS 35 8.315 2.585 -4.502 253 HD2 HIS 35 HD2 HIS 35 4.760 3.282 -2.470 254 HE1 HIS 35 HE1 HIS 35 7.913 0.520 -3.124 255 H SER 36 H SER 36 6.203 7.734 -3.392 256 HA SER 36 HA SER 36 6.406 9.045 -5.927 257 HB2 SER 36 1HB SER 36 4.526 9.169 -4.079 258 HB3 SER 36 2HB SER 36 5.518 10.490 -3.460 259 HG SER 36 HG SER 36 3.754 10.745 -5.269 260 H GLY 37 H GLY 37 8.151 10.090 -6.603 261 HA2 GLY 37 1HA GLY 37 9.367 12.156 -5.068 262 HA3 GLY 37 2HA GLY 37 10.389 10.727 -5.104 263 H GLU 38 H GLU 38 11.787 12.465 -6.150 264 HA GLU 38 HA GLU 38 11.441 13.659 -8.550 265 HB2 GLU 38 1HB GLU 38 13.526 13.693 -7.158 266 HB3 GLU 38 2HB GLU 38 13.942 12.124 -7.832 267 HG2 GLU 38 1HG GLU 38 13.433 14.512 -9.571 268 HG3 GLU 38 2HG GLU 38 15.018 14.177 -8.875 269 H LYS 39 H LYS 39 10.639 12.956 -10.404 270 HA LYS 39 HA LYS 39 11.756 10.737 -11.794 271 HB2 LYS 39 1HB LYS 39 10.007 9.833 -10.017 272 HB3 LYS 39 2HB LYS 39 8.852 10.316 -11.253 273 HG2 LYS 39 1HG LYS 39 9.740 8.804 -12.822 274 HG3 LYS 39 2HG LYS 39 11.188 8.529 -11.851 275 HD2 LYS 39 1HD LYS 39 10.084 7.168 -10.350 276 HD3 LYS 39 2HD LYS 39 8.508 7.879 -10.704 277 HE2 LYS 39 1HE LYS 39 10.011 6.292 -12.761 278 HE3 LYS 39 2HE LYS 39 8.994 5.502 -11.556 279 HZ1 LYS 39 3HZ LYS 39 8.240 7.026 -13.887 280 HZ2 LYS 39 1HZ LYS 39 7.369 7.425 -12.493 281 HZ3 LYS 39 2HZ LYS 39 7.384 5.829 -13.052 282 HA PRO 40 HA PRO 40 10.261 13.230 -15.106 283 HB2 PRO 40 1HB PRO 40 10.569 11.447 -17.129 284 HB3 PRO 40 2HB PRO 40 11.929 12.280 -16.368 285 HG2 PRO 40 1HG PRO 40 10.896 9.512 -15.888 286 HG3 PRO 40 2HG PRO 40 12.572 10.070 -16.038 287 HD2 PRO 40 1HD PRO 40 11.409 9.578 -13.643 288 HD3 PRO 40 2HD PRO 40 12.645 10.833 -13.865 289 H SER 41 H SER 41 8.952 10.020 -14.528 290 HA SER 41 HA SER 41 6.466 10.826 -15.889 291 HB2 SER 41 1HB SER 41 7.238 8.903 -17.007 292 HB3 SER 41 2HB SER 41 7.751 8.129 -15.508 293 HG SER 41 HG SER 41 5.422 7.901 -16.755 294 H GLY 42 H GLY 42 4.533 10.679 -14.823 295 HA2 GLY 42 1HA GLY 42 4.721 10.387 -11.920 296 HA3 GLY 42 2HA GLY 42 3.382 11.100 -12.808 297 HA PRO 43 HA PRO 43 1.092 7.393 -12.345 298 HB2 PRO 43 1HB PRO 43 -0.397 7.401 -14.615 299 HB3 PRO 43 2HB PRO 43 -0.686 8.513 -13.272 300 HG2 PRO 43 1HG PRO 43 0.780 8.984 -15.840 301 HG3 PRO 43 2HG PRO 43 -0.374 10.037 -15.001 302 HD2 PRO 43 1HD PRO 43 2.304 10.401 -14.851 303 HD3 PRO 43 2HD PRO 43 1.210 10.798 -13.511 304 H SER 44 H SER 44 1.936 5.418 -12.505 305 HA SER 44 HA SER 44 3.385 4.625 -14.899 306 HB2 SER 44 1HB SER 44 4.129 2.713 -13.601 307 HB3 SER 44 2HB SER 44 4.318 4.174 -12.632 308 HG SER 44 HG SER 44 2.052 3.510 -11.893 309 H SER 45 H SER 45 0.481 3.753 -13.108 310 HA SER 45 HA SER 45 -0.257 1.932 -15.305 311 HB2 SER 45 1HB SER 45 -1.143 1.846 -12.411 312 HB3 SER 45 2HB SER 45 -1.681 0.743 -13.678 313 HG SER 45 HG SER 45 0.252 0.237 -12.181 314 H GLY 46 H GLY 46 -1.722 2.799 -16.609 315 HA2 GLY 46 1HA GLY 46 -3.698 4.662 -15.448 316 HA3 GLY 46 2HA GLY 46 -3.125 4.733 -17.108 Start of MODEL 16 1 H1 GLY 1 1H GLY 1 1.334 -25.738 -9.705 2 HA2 GLY 1 1HA GLY 1 1.180 -22.952 -9.551 3 HA3 GLY 1 2HA GLY 1 -0.195 -23.603 -8.671 4 H SER 2 H SER 2 2.542 -22.245 -8.028 5 HA SER 2 HA SER 2 3.526 -24.207 -6.085 6 HB2 SER 2 1HB SER 2 4.733 -21.573 -6.967 7 HB3 SER 2 2HB SER 2 5.481 -22.729 -5.864 8 HG SER 2 HG SER 2 6.247 -23.623 -7.595 9 H SER 3 H SER 3 3.007 -24.052 -4.011 10 HA SER 3 HA SER 3 1.484 -21.775 -3.076 11 HB2 SER 3 1HB SER 3 1.104 -23.093 -1.067 12 HB3 SER 3 2HB SER 3 0.836 -24.104 -2.487 13 HG SER 3 HG SER 3 2.110 -25.140 -0.870 14 H GLY 4 H GLY 4 1.989 -20.801 -0.930 15 HA2 GLY 4 1HA GLY 4 4.854 -20.753 -0.300 16 HA3 GLY 4 2HA GLY 4 4.073 -19.239 -0.732 17 H SER 5 H SER 5 4.703 -18.469 1.368 18 HA SER 5 HA SER 5 3.279 -19.658 3.633 19 HB2 SER 5 1HB SER 5 4.710 -18.307 5.047 20 HB3 SER 5 2HB SER 5 5.710 -19.134 3.853 21 HG SER 5 HG SER 5 5.596 -16.555 4.325 22 H SER 6 H SER 6 2.306 -18.099 5.219 23 HA SER 6 HA SER 6 1.331 -15.601 4.126 24 HB2 SER 6 1HB SER 6 -0.230 -17.382 3.252 25 HB3 SER 6 2HB SER 6 -0.672 -17.722 4.925 26 HG SER 6 HG SER 6 -1.130 -15.387 3.411 27 H GLY 7 H GLY 7 0.366 -14.238 5.697 28 HA2 GLY 7 1HA GLY 7 1.288 -14.816 8.392 29 HA3 GLY 7 2HA GLY 7 0.649 -13.285 7.812 30 H THR 8 H THR 8 -1.501 -12.832 8.035 31 HA THR 8 HA THR 8 -3.380 -14.882 8.816 32 HB THR 8 HB THR 8 -2.440 -14.465 10.988 33 HG1 THR 8 HG1 THR 8 -4.829 -14.473 10.673 34 HG21 THR 8 3HG2 THR 8 -2.669 -12.076 11.923 35 HG22 THR 8 1HG2 THR 8 -2.758 -11.576 10.235 36 HG23 THR 8 2HG2 THR 8 -1.326 -12.414 10.832 37 H GLY 9 H GLY 9 -5.516 -14.269 8.536 38 HA2 GLY 9 1HA GLY 9 -7.275 -13.044 7.714 39 HA3 GLY 9 2HA GLY 9 -6.428 -11.617 8.292 40 H GLU 10 H GLU 10 -7.166 -10.468 6.445 41 HA GLU 10 HA GLU 10 -5.329 -10.556 4.261 42 HB2 GLU 10 1HB GLU 10 -6.703 -12.331 3.439 43 HB3 GLU 10 2HB GLU 10 -8.176 -11.446 3.809 44 HG2 GLU 10 1HG GLU 10 -7.549 -9.770 2.104 45 HG3 GLU 10 2HG GLU 10 -6.154 -10.765 1.688 46 H LYS 11 H LYS 11 -4.993 -8.510 3.732 47 HA LYS 11 HA LYS 11 -6.974 -6.498 4.456 48 HB2 LYS 11 1HB LYS 11 -4.068 -6.411 3.702 49 HB3 LYS 11 2HB LYS 11 -5.042 -4.947 3.663 50 HG2 LYS 11 1HG LYS 11 -5.407 -4.987 5.970 51 HG3 LYS 11 2HG LYS 11 -4.915 -6.677 6.107 52 HD2 LYS 11 1HD LYS 11 -2.626 -5.787 5.226 53 HD3 LYS 11 2HD LYS 11 -3.231 -4.227 5.787 54 HE2 LYS 11 1HE LYS 11 -3.315 -6.622 7.579 55 HE3 LYS 11 2HE LYS 11 -1.822 -5.704 7.390 56 HZ1 LYS 11 3HZ LYS 11 -4.251 -5.006 8.789 57 HZ2 LYS 11 1HZ LYS 11 -3.615 -3.760 7.837 58 HZ3 LYS 11 2HZ LYS 11 -2.665 -4.474 9.040 59 HA PRO 12 HA PRO 12 -8.474 -5.953 0.353 60 HB2 PRO 12 1HB PRO 12 -9.377 -3.401 0.558 61 HB3 PRO 12 2HB PRO 12 -10.204 -4.775 1.302 62 HG2 PRO 12 1HG PRO 12 -8.342 -2.786 2.543 63 HG3 PRO 12 2HG PRO 12 -9.862 -3.444 3.178 64 HD2 PRO 12 1HD PRO 12 -7.437 -4.346 3.978 65 HD3 PRO 12 2HD PRO 12 -8.865 -5.397 3.890 66 H TYR 13 H TYR 13 -6.647 -3.171 1.640 67 HA TYR 13 HA TYR 13 -5.762 -2.434 -1.017 68 HB2 TYR 13 1HB TYR 13 -4.851 -1.251 1.607 69 HB3 TYR 13 2HB TYR 13 -4.777 -0.514 0.010 70 HD1 TYR 13 HD2 TYR 13 -6.770 0.437 -1.016 71 HD2 TYR 13 HD1 TYR 13 -6.927 -1.312 2.859 72 HE1 TYR 13 HE2 TYR 13 -8.954 1.501 -0.631 73 HE2 TYR 13 HE1 TYR 13 -9.112 -0.254 3.255 74 HH TYR 13 HH TYR 13 -10.582 1.886 0.834 75 H ASN 14 H ASN 14 -3.784 -2.764 -1.886 76 HA ASN 14 HA ASN 14 -1.620 -3.799 -0.235 77 HB2 ASN 14 1HB ASN 14 -1.228 -5.729 -1.686 78 HB3 ASN 14 2HB ASN 14 -2.836 -5.810 -0.971 79 HD21 ASN 14 1HD2 ASN 14 -1.050 -5.907 -3.810 80 HD22 ASN 14 2HD2 ASN 14 -2.357 -5.831 -4.937 81 H CYS 15 H CYS 15 0.166 -2.739 -0.756 82 HA CYS 15 HA CYS 15 0.317 -1.059 -3.047 83 HB2 CYS 15 1HB CYS 15 1.443 -0.595 -0.860 84 HB3 CYS 15 2HB CYS 15 2.568 -1.903 -1.213 85 H LYS 16 H LYS 16 1.361 -1.319 -4.959 86 HA LYS 16 HA LYS 16 2.223 -4.034 -5.609 87 HB2 LYS 16 1HB LYS 16 0.560 -2.911 -7.061 88 HB3 LYS 16 2HB LYS 16 1.746 -1.667 -7.431 89 HG2 LYS 16 1HG LYS 16 3.180 -3.318 -8.488 90 HG3 LYS 16 2HG LYS 16 2.034 -4.596 -8.074 91 HD2 LYS 16 1HD LYS 16 1.149 -2.221 -9.670 92 HD3 LYS 16 2HD LYS 16 1.984 -3.564 -10.455 93 HE2 LYS 16 1HE LYS 16 -0.226 -4.181 -10.691 94 HE3 LYS 16 2HE LYS 16 0.226 -5.027 -9.211 95 HZ1 LYS 16 3HZ LYS 16 -0.804 -2.346 -8.837 96 HZ2 LYS 16 1HZ LYS 16 -1.133 -3.764 -7.975 97 HZ3 LYS 16 2HZ LYS 16 -1.924 -3.462 -9.440 98 H GLU 17 H GLU 17 3.461 -0.805 -5.245 99 HA GLU 17 HA GLU 17 5.831 -0.940 -6.676 100 HB2 GLU 17 1HB GLU 17 5.048 0.508 -4.166 101 HB3 GLU 17 2HB GLU 17 6.692 0.614 -4.778 102 HG2 GLU 17 1HG GLU 17 5.480 2.498 -5.575 103 HG3 GLU 17 2HG GLU 17 5.772 1.421 -6.939 104 H CYS 18 H CYS 18 5.596 -1.432 -3.149 105 HA CYS 18 HA CYS 18 8.030 -3.043 -3.252 106 HB2 CYS 18 1HB CYS 18 7.919 -2.892 -0.758 107 HB3 CYS 18 2HB CYS 18 8.019 -1.328 -1.561 108 H GLY 19 H GLY 19 4.656 -3.269 -2.186 109 HA2 GLY 19 1HA GLY 19 3.484 -5.364 -2.658 110 HA3 GLY 19 2HA GLY 19 4.961 -6.207 -2.213 111 H LYS 20 H LYS 20 3.303 -3.537 -0.569 112 HA LYS 20 HA LYS 20 3.201 -5.207 1.845 113 HB2 LYS 20 1HB LYS 20 3.327 -2.247 1.384 114 HB3 LYS 20 2HB LYS 20 2.687 -2.872 2.898 115 HG2 LYS 20 1HG LYS 20 4.835 -4.163 3.141 116 HG3 LYS 20 2HG LYS 20 5.450 -3.231 1.774 117 HD2 LYS 20 1HD LYS 20 5.168 -1.172 2.980 118 HD3 LYS 20 2HD LYS 20 4.355 -2.009 4.304 119 HE2 LYS 20 1HE LYS 20 7.215 -2.455 3.453 120 HE3 LYS 20 2HE LYS 20 6.705 -1.465 4.819 121 HZ1 LYS 20 3HZ LYS 20 7.099 -4.254 4.714 122 HZ2 LYS 20 1HZ LYS 20 5.485 -3.941 5.113 123 HZ3 LYS 20 2HZ LYS 20 6.731 -3.287 6.052 124 H SER 21 H SER 21 1.300 -4.251 3.352 125 HA SER 21 HA SER 21 -1.151 -3.979 1.778 126 HB2 SER 21 1HB SER 21 -2.249 -5.708 3.261 127 HB3 SER 21 2HB SER 21 -1.067 -6.348 2.119 128 HG SER 21 HG SER 21 0.230 -6.859 3.724 129 H PHE 22 H PHE 22 -2.933 -3.118 2.949 130 HA PHE 22 HA PHE 22 -2.416 -2.156 5.654 131 HB2 PHE 22 1HB PHE 22 -3.167 -0.308 3.378 132 HB3 PHE 22 2HB PHE 22 -3.049 0.149 5.074 133 HD1 PHE 22 HD1 PHE 22 -0.860 0.238 6.185 134 HD2 PHE 22 HD2 PHE 22 -1.229 -0.543 2.017 135 HE1 PHE 22 HE1 PHE 22 1.525 0.762 5.879 136 HE2 PHE 22 HE2 PHE 22 1.155 -0.022 1.705 137 HZ PHE 22 HZ PHE 22 2.535 0.631 3.637 138 H ARG 23 H ARG 23 -4.354 -1.288 6.697 139 HA ARG 23 HA ARG 23 -6.689 -2.815 5.911 140 HB2 ARG 23 1HB ARG 23 -6.403 -0.975 8.287 141 HB3 ARG 23 2HB ARG 23 -7.584 -2.259 8.063 142 HG2 ARG 23 1HG ARG 23 -5.511 -3.808 7.948 143 HG3 ARG 23 2HG ARG 23 -4.679 -2.458 8.723 144 HD2 ARG 23 1HD ARG 23 -7.274 -3.359 9.862 145 HD3 ARG 23 2HD ARG 23 -5.851 -4.366 10.131 146 HE ARG 23 HE ARG 23 -5.003 -2.753 11.536 147 HH11 ARG 23 1HH1 ARG 23 -7.749 -1.489 9.810 148 HH12 ARG 23 2HH1 ARG 23 -7.861 -0.054 10.775 149 HH21 ARG 23 1HH2 ARG 23 -5.139 -0.869 12.814 150 HH22 ARG 23 2HH2 ARG 23 -6.375 0.297 12.483 151 H TRP 24 H TRP 24 -5.872 0.592 6.508 152 HA TRP 24 HA TRP 24 -8.405 1.395 5.278 153 HB2 TRP 24 1HB TRP 24 -6.419 2.756 7.057 154 HB3 TRP 24 2HB TRP 24 -7.470 3.734 6.037 155 HD1 TRP 24 HD1 TRP 24 -7.364 2.524 9.411 156 HE1 TRP 24 HE1 TRP 24 -9.709 2.363 10.461 157 HE3 TRP 24 HE3 TRP 24 -10.182 2.820 5.155 158 HZ2 TRP 24 HZ2 TRP 24 -12.397 2.360 9.599 159 HZ3 TRP 24 HZ3 TRP 24 -12.633 2.730 5.355 160 HH2 TRP 24 HH2 TRP 24 -13.715 2.504 7.532 161 H ALA 25 H ALA 25 -8.419 3.097 3.668 162 HA ALA 25 HA ALA 25 -6.564 2.617 1.578 163 HB1 ALA 25 3HB ALA 25 -7.970 5.063 1.150 164 HB2 ALA 25 1HB ALA 25 -8.197 3.499 0.367 165 HB3 ALA 25 2HB ALA 25 -9.071 3.878 1.852 166 H SER 26 H SER 26 -7.232 5.630 3.376 167 HA SER 26 HA SER 26 -5.247 7.228 2.445 168 HB2 SER 26 1HB SER 26 -6.269 6.966 5.277 169 HB3 SER 26 2HB SER 26 -5.193 8.263 4.757 170 HG SER 26 HG SER 26 -6.901 9.237 4.051 171 H CYS 27 H CYS 27 -4.882 5.119 5.300 172 HA CYS 27 HA CYS 27 -2.299 5.486 5.964 173 HB2 CYS 27 1HB CYS 27 -3.697 2.815 5.717 174 HB3 CYS 27 2HB CYS 27 -2.202 3.081 6.606 175 HG CYS 27 HG CYS 27 -4.495 2.836 8.313 176 H LEU 28 H LEU 28 -3.412 3.423 3.298 177 HA LEU 28 HA LEU 28 -0.827 2.590 2.494 178 HB2 LEU 28 1HB LEU 28 -2.512 1.215 1.726 179 HB3 LEU 28 2HB LEU 28 -3.544 2.567 1.262 180 HG LEU 28 HG LEU 28 -2.064 2.994 -0.668 181 HD11 LEU 28 1HD1 LEU 28 -0.424 1.029 0.701 182 HD12 LEU 28 2HD1 LEU 28 0.010 2.194 -0.550 183 HD13 LEU 28 3HD1 LEU 28 -0.679 0.634 -0.999 184 HD21 LEU 28 3HD2 LEU 28 -4.089 1.488 -0.743 185 HD22 LEU 28 1HD2 LEU 28 -2.973 0.126 -0.644 186 HD23 LEU 28 2HD2 LEU 28 -2.893 1.234 -2.015 187 H LEU 29 H LEU 29 -3.016 5.102 1.247 188 HA LEU 29 HA LEU 29 -1.502 6.033 -0.860 189 HB2 LEU 29 1HB LEU 29 -3.626 6.943 -0.684 190 HB3 LEU 29 2HB LEU 29 -3.417 7.351 1.018 191 HG LEU 29 HG LEU 29 -1.775 9.122 0.252 192 HD11 LEU 29 1HD1 LEU 29 -1.522 8.071 -2.036 193 HD12 LEU 29 2HD1 LEU 29 -1.757 9.818 -1.999 194 HD13 LEU 29 3HD1 LEU 29 -3.101 8.757 -2.420 195 HD21 LEU 29 3HD2 LEU 29 -4.345 9.867 -0.963 196 HD22 LEU 29 1HD2 LEU 29 -3.442 10.626 0.348 197 HD23 LEU 29 2HD2 LEU 29 -4.447 9.214 0.673 198 H LYS 30 H LYS 30 -1.312 6.983 2.553 199 HA LYS 30 HA LYS 30 0.639 8.969 2.288 200 HB2 LYS 30 1HB LYS 30 -0.310 7.230 4.517 201 HB3 LYS 30 2HB LYS 30 1.190 8.120 4.744 202 HG2 LYS 30 1HG LYS 30 -1.398 9.413 3.922 203 HG3 LYS 30 2HG LYS 30 -0.867 9.256 5.598 204 HD2 LYS 30 1HD LYS 30 1.326 10.368 4.659 205 HD3 LYS 30 2HD LYS 30 0.231 10.947 3.402 206 HE2 LYS 30 1HE LYS 30 0.272 12.633 5.054 207 HE3 LYS 30 2HE LYS 30 -1.257 11.783 5.269 208 HZ1 LYS 30 3HZ LYS 30 0.838 10.628 6.826 209 HZ2 LYS 30 1HZ LYS 30 -0.684 11.182 7.314 210 HZ3 LYS 30 2HZ LYS 30 0.612 12.262 7.202 211 H HIS 31 H HIS 31 0.960 5.482 2.824 212 HA HIS 31 HA HIS 31 3.741 5.401 3.150 213 HB2 HIS 31 1HB HIS 31 2.761 3.402 3.736 214 HB3 HIS 31 2HB HIS 31 1.648 3.424 2.372 215 HD1 HIS 31 HD1 HIS 31 5.382 2.957 2.948 216 HD2 HIS 31 HD2 HIS 31 2.342 1.697 0.412 217 HE1 HIS 31 HE1 HIS 31 6.437 1.255 1.428 218 H GLN 32 H GLN 32 1.741 5.180 0.235 219 HA GLN 32 HA GLN 32 3.548 4.496 -1.678 220 HB2 GLN 32 1HB GLN 32 1.357 6.565 -1.796 221 HB3 GLN 32 2HB GLN 32 2.266 6.060 -3.214 222 HG2 GLN 32 1HG GLN 32 1.527 3.733 -2.800 223 HG3 GLN 32 2HG GLN 32 0.526 4.327 -1.476 224 HE21 GLN 32 1HE2 GLN 32 -1.511 4.286 -2.088 225 HE22 GLN 32 2HE2 GLN 32 -2.129 4.826 -3.608 226 H ARG 33 H ARG 33 3.547 7.364 0.224 227 HA ARG 33 HA ARG 33 4.851 9.224 -1.304 228 HB2 ARG 33 1HB ARG 33 4.880 8.567 1.601 229 HB3 ARG 33 2HB ARG 33 6.089 9.697 1.005 230 HG2 ARG 33 1HG ARG 33 4.223 11.037 0.015 231 HG3 ARG 33 2HG ARG 33 3.099 9.971 0.860 232 HD2 ARG 33 1HD ARG 33 3.330 11.773 2.313 233 HD3 ARG 33 2HD ARG 33 4.443 10.572 2.968 234 HE ARG 33 HE ARG 33 5.737 12.331 1.138 235 HH11 ARG 33 1HH1 ARG 33 4.574 12.059 4.407 236 HH12 ARG 33 2HH1 ARG 33 5.697 13.216 5.042 237 HH21 ARG 33 1HH2 ARG 33 7.222 13.855 1.961 238 HH22 ARG 33 2HH2 ARG 33 7.202 14.237 3.649 239 H VAL 34 H VAL 34 6.370 6.632 0.606 240 HA VAL 34 HA VAL 34 9.022 7.149 0.118 241 HB VAL 34 HB VAL 34 9.486 4.816 0.501 242 HG11 VAL 34 1HG1 VAL 34 9.034 5.387 2.608 243 HG12 VAL 34 2HG1 VAL 34 7.612 6.318 2.133 244 HG13 VAL 34 3HG1 VAL 34 7.483 4.577 2.387 245 HG21 VAL 34 3HG2 VAL 34 6.551 4.360 -0.027 246 HG22 VAL 34 1HG2 VAL 34 7.900 3.818 -1.027 247 HG23 VAL 34 2HG2 VAL 34 7.670 3.143 0.587 248 H HIS 35 H HIS 35 6.653 5.733 -2.037 249 HA HIS 35 HA HIS 35 8.655 5.064 -4.030 250 HB2 HIS 35 1HB HIS 35 5.638 4.900 -4.184 251 HB3 HIS 35 2HB HIS 35 6.773 4.214 -5.343 252 HD1 HIS 35 HD1 HIS 35 8.670 2.626 -3.770 253 HD2 HIS 35 HD2 HIS 35 4.664 2.879 -2.697 254 HE1 HIS 35 HE1 HIS 35 8.225 0.599 -2.350 255 H SER 36 H SER 36 8.171 7.871 -3.182 256 HA SER 36 HA SER 36 7.615 8.973 -5.854 257 HB2 SER 36 1HB SER 36 5.715 9.415 -4.313 258 HB3 SER 36 2HB SER 36 6.821 10.259 -3.230 259 HG SER 36 HG SER 36 7.294 11.614 -5.139 260 H GLY 37 H GLY 37 9.086 9.657 -2.683 261 HA2 GLY 37 1HA GLY 37 10.886 11.600 -3.887 262 HA3 GLY 37 2HA GLY 37 10.770 11.202 -2.179 263 H GLU 38 H GLU 38 11.436 8.805 -1.739 264 HA GLU 38 HA GLU 38 14.167 8.583 -2.274 265 HB2 GLU 38 1HB GLU 38 12.665 7.457 -0.449 266 HB3 GLU 38 2HB GLU 38 12.521 6.165 -1.632 267 HG2 GLU 38 1HG GLU 38 14.293 5.724 -0.021 268 HG3 GLU 38 2HG GLU 38 14.926 5.882 -1.658 269 H LYS 39 H LYS 39 15.192 8.051 -4.074 270 HA LYS 39 HA LYS 39 14.238 5.874 -5.732 271 HB2 LYS 39 1HB LYS 39 13.249 8.210 -6.472 272 HB3 LYS 39 2HB LYS 39 14.842 8.412 -7.190 273 HG2 LYS 39 1HG LYS 39 14.546 6.532 -8.599 274 HG3 LYS 39 2HG LYS 39 13.093 6.028 -7.731 275 HD2 LYS 39 1HD LYS 39 13.280 8.673 -9.150 276 HD3 LYS 39 2HD LYS 39 12.760 7.199 -9.970 277 HE2 LYS 39 1HE LYS 39 11.475 8.125 -7.420 278 HE3 LYS 39 2HE LYS 39 10.954 8.734 -8.990 279 HZ1 LYS 39 3HZ LYS 39 10.952 5.898 -8.110 280 HZ2 LYS 39 1HZ LYS 39 10.551 6.422 -9.669 281 HZ3 LYS 39 2HZ LYS 39 9.595 6.880 -8.351 282 HA PRO 40 HA PRO 40 18.588 5.234 -6.034 283 HB2 PRO 40 1HB PRO 40 18.597 3.501 -8.124 284 HB3 PRO 40 2HB PRO 40 18.076 3.043 -6.499 285 HG2 PRO 40 1HG PRO 40 16.421 3.797 -8.877 286 HG3 PRO 40 2HG PRO 40 16.169 2.487 -7.708 287 HD2 PRO 40 1HD PRO 40 14.816 4.830 -7.586 288 HD3 PRO 40 2HD PRO 40 15.245 3.898 -6.137 289 H SER 41 H SER 41 16.677 6.554 -8.583 290 HA SER 41 HA SER 41 17.184 7.670 -10.519 291 HB2 SER 41 1HB SER 41 19.410 8.710 -8.749 292 HB3 SER 41 2HB SER 41 18.786 9.498 -10.198 293 HG SER 41 HG SER 41 17.603 9.204 -7.674 294 H GLY 42 H GLY 42 18.304 5.046 -10.424 295 HA2 GLY 42 1HA GLY 42 20.965 5.342 -11.610 296 HA3 GLY 42 2HA GLY 42 20.209 3.831 -11.127 297 HA PRO 43 HA PRO 43 19.990 4.044 -15.728 298 HB2 PRO 43 1HB PRO 43 20.595 1.423 -16.097 299 HB3 PRO 43 2HB PRO 43 21.827 2.677 -15.912 300 HG2 PRO 43 1HG PRO 43 20.764 0.753 -13.880 301 HG3 PRO 43 2HG PRO 43 22.439 1.249 -14.181 302 HD2 PRO 43 1HD PRO 43 20.957 2.274 -12.160 303 HD3 PRO 43 2HD PRO 43 22.200 3.218 -13.006 304 H SER 44 H SER 44 18.643 2.700 -17.209 305 HA SER 44 HA SER 44 16.687 0.920 -16.150 306 HB2 SER 44 1HB SER 44 14.705 2.360 -16.561 307 HB3 SER 44 2HB SER 44 15.721 2.967 -15.253 308 HG SER 44 HG SER 44 16.618 4.449 -16.743 309 H SER 45 H SER 45 14.731 0.931 -17.930 310 HA SER 45 HA SER 45 15.976 -0.008 -20.304 311 HB2 SER 45 1HB SER 45 13.654 -0.343 -21.115 312 HB3 SER 45 2HB SER 45 13.906 -1.012 -19.503 313 HG SER 45 HG SER 45 12.913 1.603 -19.846 314 H GLY 46 H GLY 46 17.157 1.889 -20.968 315 HA2 GLY 46 1HA GLY 46 15.885 4.321 -21.671 316 HA3 GLY 46 2HA GLY 46 17.472 3.795 -22.212 Start of MODEL 17 1 H1 GLY 1 1H GLY 1 6.844 -24.976 11.316 2 HA2 GLY 1 1HA GLY 1 6.633 -27.880 10.846 3 HA3 GLY 1 2HA GLY 1 5.309 -26.999 11.593 4 H SER 2 H SER 2 5.116 -28.502 9.199 5 HA SER 2 HA SER 2 4.760 -26.389 7.179 6 HB2 SER 2 1HB SER 2 6.266 -28.181 6.460 7 HB3 SER 2 2HB SER 2 5.022 -29.383 6.805 8 HG SER 2 HG SER 2 3.728 -28.044 5.239 9 H SER 3 H SER 3 2.748 -25.697 7.990 10 HA SER 3 HA SER 3 0.553 -27.641 7.716 11 HB2 SER 3 1HB SER 3 0.981 -26.420 9.958 12 HB3 SER 3 2HB SER 3 0.308 -25.005 9.148 13 HG SER 3 HG SER 3 -0.934 -27.368 9.944 14 H GLY 4 H GLY 4 1.466 -24.269 7.066 15 HA2 GLY 4 1HA GLY 4 1.065 -23.218 4.969 16 HA3 GLY 4 2HA GLY 4 -0.249 -24.350 4.685 17 H SER 5 H SER 5 0.694 -21.708 6.874 18 HA SER 5 HA SER 5 -2.041 -20.674 6.671 19 HB2 SER 5 1HB SER 5 -0.610 -21.491 9.159 20 HB3 SER 5 2HB SER 5 -1.633 -20.056 9.225 21 HG SER 5 HG SER 5 -2.633 -22.406 8.064 22 H SER 6 H SER 6 -1.877 -18.701 5.859 23 HA SER 6 HA SER 6 0.535 -17.193 5.908 24 HB2 SER 6 1HB SER 6 -2.241 -16.224 5.192 25 HB3 SER 6 2HB SER 6 -0.709 -15.492 4.716 26 HG SER 6 HG SER 6 -1.856 -17.920 3.854 27 H GLY 7 H GLY 7 -2.675 -16.514 7.323 28 HA2 GLY 7 1HA GLY 7 -1.580 -15.645 9.802 29 HA3 GLY 7 2HA GLY 7 -1.991 -14.268 8.790 30 H THR 8 H THR 8 -3.385 -13.987 10.816 31 HA THR 8 HA THR 8 -5.905 -15.481 10.543 32 HB THR 8 HB THR 8 -4.858 -15.576 12.779 33 HG1 THR 8 HG1 THR 8 -6.804 -15.496 13.643 34 HG21 THR 8 3HG2 THR 8 -4.136 -12.998 12.381 35 HG22 THR 8 1HG2 THR 8 -4.203 -13.767 13.966 36 HG23 THR 8 2HG2 THR 8 -5.554 -12.782 13.407 37 H GLY 9 H GLY 9 -5.348 -13.457 8.683 38 HA2 GLY 9 1HA GLY 9 -7.584 -12.070 8.330 39 HA3 GLY 9 2HA GLY 9 -6.807 -11.089 9.564 40 H GLU 10 H GLU 10 -7.418 -10.997 6.470 41 HA GLU 10 HA GLU 10 -4.743 -10.078 5.657 42 HB2 GLU 10 1HB GLU 10 -5.536 -10.309 3.344 43 HB3 GLU 10 2HB GLU 10 -5.663 -11.824 4.226 44 HG2 GLU 10 1HG GLU 10 -8.056 -11.410 4.568 45 HG3 GLU 10 2HG GLU 10 -7.917 -9.918 3.640 46 H LYS 11 H LYS 11 -4.950 -8.283 3.886 47 HA LYS 11 HA LYS 11 -6.825 -6.245 4.897 48 HB2 LYS 11 1HB LYS 11 -3.933 -6.069 4.140 49 HB3 LYS 11 2HB LYS 11 -4.962 -4.654 3.956 50 HG2 LYS 11 1HG LYS 11 -5.264 -4.407 6.218 51 HG3 LYS 11 2HG LYS 11 -4.951 -6.112 6.555 52 HD2 LYS 11 1HD LYS 11 -2.656 -5.845 6.447 53 HD3 LYS 11 2HD LYS 11 -2.768 -4.389 5.456 54 HE2 LYS 11 1HE LYS 11 -3.428 -3.071 7.308 55 HE3 LYS 11 2HE LYS 11 -3.720 -4.493 8.308 56 HZ1 LYS 11 3HZ LYS 11 -1.624 -4.455 8.978 57 HZ2 LYS 11 1HZ LYS 11 -1.390 -3.009 8.132 58 HZ3 LYS 11 2HZ LYS 11 -1.049 -4.488 7.387 59 HA PRO 12 HA PRO 12 -8.420 -5.943 0.805 60 HB2 PRO 12 1HB PRO 12 -9.436 -3.429 0.919 61 HB3 PRO 12 2HB PRO 12 -10.185 -4.805 1.737 62 HG2 PRO 12 1HG PRO 12 -8.395 -2.681 2.854 63 HG3 PRO 12 2HG PRO 12 -9.871 -3.379 3.547 64 HD2 PRO 12 1HD PRO 12 -7.394 -4.134 4.337 65 HD3 PRO 12 2HD PRO 12 -8.773 -5.251 4.322 66 H TYR 13 H TYR 13 -6.585 -3.125 1.976 67 HA TYR 13 HA TYR 13 -5.817 -2.433 -0.742 68 HB2 TYR 13 1HB TYR 13 -4.926 -1.100 1.817 69 HB3 TYR 13 2HB TYR 13 -4.886 -0.433 0.189 70 HD1 TYR 13 HD2 TYR 13 -6.928 0.378 -0.875 71 HD2 TYR 13 HD1 TYR 13 -6.982 -1.156 3.093 72 HE1 TYR 13 HE2 TYR 13 -9.147 1.380 -0.524 73 HE2 TYR 13 HE1 TYR 13 -9.201 -0.159 3.455 74 HH TYR 13 HH TYR 13 -11.092 0.628 2.201 75 H ASN 14 H ASN 14 -3.866 -2.780 -1.641 76 HA ASN 14 HA ASN 14 -1.633 -3.647 0.027 77 HB2 ASN 14 1HB ASN 14 -1.197 -5.629 -1.294 78 HB3 ASN 14 2HB ASN 14 -2.841 -5.710 -0.667 79 HD21 ASN 14 1HD2 ASN 14 -1.106 -6.444 -3.245 80 HD22 ASN 14 2HD2 ASN 14 -2.268 -6.217 -4.504 81 H CYS 15 H CYS 15 0.169 -2.654 -0.584 82 HA CYS 15 HA CYS 15 0.230 -0.968 -2.875 83 HB2 CYS 15 1HB CYS 15 1.452 -0.450 -0.790 84 HB3 CYS 15 2HB CYS 15 2.504 -1.833 -1.075 85 H LYS 16 H LYS 16 1.208 -1.221 -4.827 86 HA LYS 16 HA LYS 16 2.028 -3.942 -5.517 87 HB2 LYS 16 1HB LYS 16 1.348 -1.561 -7.251 88 HB3 LYS 16 2HB LYS 16 1.832 -3.135 -7.868 89 HG2 LYS 16 1HG LYS 16 -0.548 -2.774 -6.074 90 HG3 LYS 16 2HG LYS 16 -0.647 -2.635 -7.831 91 HD2 LYS 16 1HD LYS 16 0.553 -4.955 -7.793 92 HD3 LYS 16 2HD LYS 16 -0.071 -5.033 -6.143 93 HE2 LYS 16 1HE LYS 16 -1.794 -4.444 -8.541 94 HE3 LYS 16 2HE LYS 16 -1.530 -6.071 -7.917 95 HZ1 LYS 16 3HZ LYS 16 -2.367 -4.093 -5.965 96 HZ2 LYS 16 1HZ LYS 16 -2.852 -5.703 -6.154 97 HZ3 LYS 16 2HZ LYS 16 -3.524 -4.497 -7.131 98 H GLU 17 H GLU 17 3.269 -0.704 -5.232 99 HA GLU 17 HA GLU 17 5.562 -0.826 -6.776 100 HB2 GLU 17 1HB GLU 17 4.904 0.604 -4.221 101 HB3 GLU 17 2HB GLU 17 6.517 0.716 -4.910 102 HG2 GLU 17 1HG GLU 17 5.831 1.962 -6.684 103 HG3 GLU 17 2HG GLU 17 4.213 1.262 -6.693 104 H CYS 18 H CYS 18 5.411 -1.463 -3.266 105 HA CYS 18 HA CYS 18 7.871 -3.038 -3.507 106 HB2 CYS 18 1HB CYS 18 7.921 -2.893 -1.017 107 HB3 CYS 18 2HB CYS 18 7.961 -1.322 -1.812 108 H GLY 19 H GLY 19 4.554 -3.240 -2.278 109 HA2 GLY 19 1HA GLY 19 3.350 -5.329 -2.693 110 HA3 GLY 19 2HA GLY 19 4.839 -6.180 -2.308 111 H LYS 20 H LYS 20 3.318 -3.480 -0.591 112 HA LYS 20 HA LYS 20 3.320 -5.128 1.835 113 HB2 LYS 20 1HB LYS 20 3.463 -2.200 1.292 114 HB3 LYS 20 2HB LYS 20 2.729 -2.722 2.803 115 HG2 LYS 20 1HG LYS 20 4.890 -4.148 3.047 116 HG3 LYS 20 2HG LYS 20 5.546 -3.012 1.866 117 HD2 LYS 20 1HD LYS 20 4.871 -1.147 3.351 118 HD3 LYS 20 2HD LYS 20 4.340 -2.332 4.547 119 HE2 LYS 20 1HE LYS 20 6.684 -3.258 4.495 120 HE3 LYS 20 2HE LYS 20 7.135 -1.851 3.533 121 HZ1 LYS 20 3HZ LYS 20 7.120 -0.538 5.321 122 HZ2 LYS 20 1HZ LYS 20 7.172 -1.966 6.228 123 HZ3 LYS 20 2HZ LYS 20 5.691 -1.202 5.938 124 H SER 21 H SER 21 1.463 -4.114 3.407 125 HA SER 21 HA SER 21 -1.061 -4.193 1.894 126 HB2 SER 21 1HB SER 21 -0.413 -5.711 4.431 127 HB3 SER 21 2HB SER 21 -2.030 -5.570 3.742 128 HG SER 21 HG SER 21 -0.725 -6.391 1.749 129 H PHE 22 H PHE 22 -2.927 -3.372 3.156 130 HA PHE 22 HA PHE 22 -2.367 -1.690 5.432 131 HB2 PHE 22 1HB PHE 22 -3.274 -0.416 2.842 132 HB3 PHE 22 2HB PHE 22 -3.063 0.403 4.386 133 HD1 PHE 22 HD2 PHE 22 -1.252 -1.406 1.712 134 HD2 PHE 22 HD1 PHE 22 -0.979 1.256 5.022 135 HE1 PHE 22 HE2 PHE 22 1.091 -0.931 1.132 136 HE2 PHE 22 HE1 PHE 22 1.365 1.736 4.446 137 HZ PHE 22 HZ PHE 22 2.403 0.641 2.500 138 H ARG 23 H ARG 23 -4.165 -1.291 6.638 139 HA ARG 23 HA ARG 23 -6.514 -2.802 6.036 140 HB2 ARG 23 1HB ARG 23 -5.547 -2.363 8.344 141 HB3 ARG 23 2HB ARG 23 -6.216 -0.741 8.218 142 HG2 ARG 23 1HG ARG 23 -8.034 -3.038 7.740 143 HG3 ARG 23 2HG ARG 23 -7.525 -2.703 9.396 144 HD2 ARG 23 1HD ARG 23 -8.307 -0.382 9.140 145 HD3 ARG 23 2HD ARG 23 -8.860 -0.765 7.511 146 HE ARG 23 HE ARG 23 -10.138 -1.476 9.996 147 HH11 ARG 23 1HH1 ARG 23 -9.837 -2.171 6.598 148 HH12 ARG 23 2HH1 ARG 23 -11.388 -2.934 6.484 149 HH21 ARG 23 1HH2 ARG 23 -12.183 -2.478 9.858 150 HH22 ARG 23 2HH2 ARG 23 -12.722 -3.107 8.338 151 H TRP 24 H TRP 24 -5.776 0.665 6.227 152 HA TRP 24 HA TRP 24 -8.359 1.218 4.929 153 HB2 TRP 24 1HB TRP 24 -6.592 2.985 6.630 154 HB3 TRP 24 2HB TRP 24 -8.010 3.564 5.760 155 HD1 TRP 24 HD1 TRP 24 -7.052 2.401 9.069 156 HE1 TRP 24 HE1 TRP 24 -9.104 1.684 10.446 157 HE3 TRP 24 HE3 TRP 24 -10.499 2.125 5.304 158 HZ2 TRP 24 HZ2 TRP 24 -11.825 1.080 9.996 159 HZ3 TRP 24 HZ3 TRP 24 -12.804 1.469 5.861 160 HH2 TRP 24 HH2 TRP 24 -13.451 0.958 8.159 161 H ALA 25 H ALA 25 -8.421 2.845 3.269 162 HA ALA 25 HA ALA 25 -6.460 2.526 1.297 163 HB1 ALA 25 3HB ALA 25 -8.161 4.964 1.269 164 HB2 ALA 25 1HB ALA 25 -7.774 3.837 -0.032 165 HB3 ALA 25 2HB ALA 25 -8.952 3.389 1.202 166 H SER 26 H SER 26 -7.196 5.472 3.177 167 HA SER 26 HA SER 26 -5.171 7.096 2.348 168 HB2 SER 26 1HB SER 26 -5.303 8.213 4.537 169 HB3 SER 26 2HB SER 26 -6.910 7.803 3.937 170 HG SER 26 HG SER 26 -5.438 6.640 6.030 171 H CYS 27 H CYS 27 -4.971 4.589 4.844 172 HA CYS 27 HA CYS 27 -2.414 5.033 5.780 173 HB2 CYS 27 1HB CYS 27 -3.950 2.467 5.389 174 HB3 CYS 27 2HB CYS 27 -2.372 2.510 6.167 175 HG CYS 27 HG CYS 27 -3.323 4.370 8.157 176 H LEU 28 H LEU 28 -3.429 3.248 2.901 177 HA LEU 28 HA LEU 28 -0.783 2.427 2.199 178 HB2 LEU 28 1HB LEU 28 -2.362 1.023 1.307 179 HB3 LEU 28 2HB LEU 28 -3.466 2.340 0.915 180 HG LEU 28 HG LEU 28 -2.103 2.938 -1.008 181 HD11 LEU 28 1HD1 LEU 28 0.019 2.004 0.189 182 HD12 LEU 28 2HD1 LEU 28 -0.098 1.967 -1.570 183 HD13 LEU 28 3HD1 LEU 28 -0.416 0.506 -0.636 184 HD21 LEU 28 3HD2 LEU 28 -3.788 1.430 -1.579 185 HD22 LEU 28 1HD2 LEU 28 -3.001 0.088 -0.749 186 HD23 LEU 28 2HD2 LEU 28 -2.330 0.706 -2.259 187 H LEU 29 H LEU 29 -2.989 4.950 1.023 188 HA LEU 29 HA LEU 29 -1.432 5.983 -1.021 189 HB2 LEU 29 1HB LEU 29 -3.605 6.800 -0.883 190 HB3 LEU 29 2HB LEU 29 -3.448 7.196 0.827 191 HG LEU 29 HG LEU 29 -1.859 9.032 0.130 192 HD11 LEU 29 1HD1 LEU 29 -2.563 9.702 -2.362 193 HD12 LEU 29 2HD1 LEU 29 -2.617 7.945 -2.510 194 HD13 LEU 29 3HD1 LEU 29 -1.131 8.740 -1.990 195 HD21 LEU 29 3HD2 LEU 29 -4.596 9.381 -1.052 196 HD22 LEU 29 1HD2 LEU 29 -3.595 10.565 -0.211 197 HD23 LEU 29 2HD2 LEU 29 -4.344 9.245 0.689 198 H LYS 30 H LYS 30 -1.369 6.745 2.436 199 HA LYS 30 HA LYS 30 0.516 8.826 2.311 200 HB2 LYS 30 1HB LYS 30 -1.002 7.958 4.275 201 HB3 LYS 30 2HB LYS 30 0.406 6.977 4.662 202 HG2 LYS 30 1HG LYS 30 1.632 9.314 4.437 203 HG3 LYS 30 2HG LYS 30 0.022 9.909 4.849 204 HD2 LYS 30 1HD LYS 30 0.053 8.941 6.940 205 HD3 LYS 30 2HD LYS 30 1.215 7.699 6.463 206 HE2 LYS 30 1HE LYS 30 2.055 10.562 6.473 207 HE3 LYS 30 2HE LYS 30 1.938 9.695 8.003 208 HZ1 LYS 30 3HZ LYS 30 4.167 9.674 6.831 209 HZ2 LYS 30 1HZ LYS 30 3.466 8.615 5.713 210 HZ3 LYS 30 2HZ LYS 30 3.568 8.178 7.344 211 H HIS 31 H HIS 31 0.887 5.330 2.615 212 HA HIS 31 HA HIS 31 3.651 5.286 3.126 213 HB2 HIS 31 1HB HIS 31 2.665 3.240 3.535 214 HB3 HIS 31 2HB HIS 31 1.661 3.315 2.091 215 HD1 HIS 31 HD1 HIS 31 5.239 2.634 3.114 216 HD2 HIS 31 HD2 HIS 31 2.663 1.985 -0.080 217 HE1 HIS 31 HE1 HIS 31 6.484 1.113 1.545 218 H GLN 32 H GLN 32 1.816 5.276 0.105 219 HA GLN 32 HA GLN 32 3.681 4.705 -1.774 220 HB2 GLN 32 1HB GLN 32 1.568 6.855 -1.796 221 HB3 GLN 32 2HB GLN 32 2.540 6.475 -3.212 222 HG2 GLN 32 1HG GLN 32 1.635 4.314 -3.387 223 HG3 GLN 32 2HG GLN 32 0.938 4.391 -1.769 224 HE21 GLN 32 1HE2 GLN 32 -1.080 3.818 -2.679 225 HE22 GLN 32 2HE2 GLN 32 -2.049 4.989 -3.500 226 H ARG 33 H ARG 33 3.607 7.502 0.280 227 HA ARG 33 HA ARG 33 5.124 9.355 -1.036 228 HB2 ARG 33 1HB ARG 33 5.043 8.558 1.860 229 HB3 ARG 33 2HB ARG 33 6.110 9.843 1.310 230 HG2 ARG 33 1HG ARG 33 4.263 11.152 0.555 231 HG3 ARG 33 2HG ARG 33 3.139 9.821 0.839 232 HD2 ARG 33 1HD ARG 33 2.829 11.194 2.691 233 HD3 ARG 33 2HD ARG 33 3.935 9.954 3.282 234 HE ARG 33 HE ARG 33 5.193 12.352 2.261 235 HH11 ARG 33 1HH1 ARG 33 3.941 10.672 5.042 236 HH12 ARG 33 2HH1 ARG 33 4.868 11.593 6.179 237 HH21 ARG 33 1HH2 ARG 33 6.419 13.572 3.748 238 HH22 ARG 33 2HH2 ARG 33 6.276 13.243 5.442 239 H VAL 34 H VAL 34 6.355 6.614 0.871 240 HA VAL 34 HA VAL 34 9.060 7.039 0.665 241 HB VAL 34 HB VAL 34 9.402 4.699 1.010 242 HG11 VAL 34 1HG1 VAL 34 8.520 4.734 3.057 243 HG12 VAL 34 2HG1 VAL 34 7.734 6.242 2.585 244 HG13 VAL 34 3HG1 VAL 34 6.872 4.711 2.430 245 HG21 VAL 34 3HG2 VAL 34 7.278 3.195 0.856 246 HG22 VAL 34 1HG2 VAL 34 6.712 4.437 -0.261 247 HG23 VAL 34 2HG2 VAL 34 8.203 3.559 -0.601 248 H HIS 35 H HIS 35 6.866 5.771 -1.766 249 HA HIS 35 HA HIS 35 9.014 5.127 -3.597 250 HB2 HIS 35 1HB HIS 35 6.015 5.122 -3.995 251 HB3 HIS 35 2HB HIS 35 7.194 4.506 -5.148 252 HD1 HIS 35 HD1 HIS 35 8.889 2.621 -3.801 253 HD2 HIS 35 HD2 HIS 35 4.941 3.091 -2.595 254 HE1 HIS 35 HE1 HIS 35 8.307 0.509 -2.567 255 H SER 36 H SER 36 6.772 7.729 -3.013 256 HA SER 36 HA SER 36 6.674 9.069 -5.391 257 HB2 SER 36 1HB SER 36 5.523 9.833 -3.356 258 HB3 SER 36 2HB SER 36 7.069 10.316 -2.659 259 HG SER 36 HG SER 36 7.273 11.741 -4.515 260 H GLY 37 H GLY 37 9.100 9.808 -2.874 261 HA2 GLY 37 1HA GLY 37 11.166 10.023 -4.909 262 HA3 GLY 37 2HA GLY 37 10.747 11.521 -4.093 263 H GLU 38 H GLU 38 11.156 8.169 -2.956 264 HA GLU 38 HA GLU 38 13.423 9.013 -1.325 265 HB2 GLU 38 1HB GLU 38 11.508 9.370 0.137 266 HB3 GLU 38 2HB GLU 38 10.934 7.738 -0.178 267 HG2 GLU 38 1HG GLU 38 11.980 7.787 1.967 268 HG3 GLU 38 2HG GLU 38 12.993 6.856 0.866 269 H LYS 39 H LYS 39 14.973 7.516 -1.298 270 HA LYS 39 HA LYS 39 14.269 4.785 -2.155 271 HB2 LYS 39 1HB LYS 39 17.046 5.873 -2.397 272 HB3 LYS 39 2HB LYS 39 16.252 4.626 -3.349 273 HG2 LYS 39 1HG LYS 39 16.250 6.297 -4.877 274 HG3 LYS 39 2HG LYS 39 14.727 6.670 -4.067 275 HD2 LYS 39 1HD LYS 39 15.696 8.738 -4.026 276 HD3 LYS 39 2HD LYS 39 16.323 8.093 -2.508 277 HE2 LYS 39 1HE LYS 39 17.882 7.616 -4.995 278 HE3 LYS 39 2HE LYS 39 17.902 9.235 -4.298 279 HZ1 LYS 39 3HZ LYS 39 18.408 7.902 -2.125 280 HZ2 LYS 39 1HZ LYS 39 19.647 8.277 -3.214 281 HZ3 LYS 39 2HZ LYS 39 18.965 6.729 -3.209 282 HA PRO 40 HA PRO 40 15.717 4.355 2.189 283 HB2 PRO 40 1HB PRO 40 14.046 2.294 2.762 284 HB3 PRO 40 2HB PRO 40 13.556 3.989 2.876 285 HG2 PRO 40 1HG PRO 40 13.054 2.016 0.681 286 HG3 PRO 40 2HG PRO 40 11.944 3.200 1.397 287 HD2 PRO 40 1HD PRO 40 13.202 3.623 -0.963 288 HD3 PRO 40 2HD PRO 40 12.803 4.942 0.156 289 H SER 41 H SER 41 16.797 2.573 3.227 290 HA SER 41 HA SER 41 17.609 0.427 1.380 291 HB2 SER 41 1HB SER 41 19.442 2.007 1.525 292 HB3 SER 41 2HB SER 41 19.367 1.988 3.287 293 HG SER 41 HG SER 41 20.628 0.285 1.602 294 H GLY 42 H GLY 42 16.049 -0.935 2.382 295 HA2 GLY 42 1HA GLY 42 16.797 -1.768 5.117 296 HA3 GLY 42 2HA GLY 42 15.147 -1.803 4.516 297 HA PRO 43 HA PRO 43 17.340 -5.944 3.902 298 HB2 PRO 43 1HB PRO 43 15.821 -7.384 5.631 299 HB3 PRO 43 2HB PRO 43 17.308 -6.560 6.115 300 HG2 PRO 43 1HG PRO 43 14.464 -5.689 6.452 301 HG3 PRO 43 2HG PRO 43 15.806 -5.597 7.607 302 HD2 PRO 43 1HD PRO 43 14.983 -3.463 6.158 303 HD3 PRO 43 2HD PRO 43 16.676 -3.696 6.637 304 H SER 44 H SER 44 16.368 -5.854 1.825 305 HA SER 44 HA SER 44 13.551 -6.460 1.548 306 HB2 SER 44 1HB SER 44 15.718 -6.147 -0.544 307 HB3 SER 44 2HB SER 44 13.995 -6.311 -0.879 308 HG SER 44 HG SER 44 15.038 -4.095 -0.707 309 H SER 45 H SER 45 12.669 -8.391 1.092 310 HA SER 45 HA SER 45 14.124 -10.760 1.521 311 HB2 SER 45 1HB SER 45 12.068 -11.924 0.835 312 HB3 SER 45 2HB SER 45 11.705 -10.591 1.931 313 HG SER 45 HG SER 45 11.180 -9.339 0.066 314 H GLY 46 H GLY 46 15.252 -12.047 0.201 315 HA2 GLY 46 1HA GLY 46 15.677 -11.218 -2.531 316 HA3 GLY 46 2HA GLY 46 16.480 -12.544 -1.704 Start of MODEL 18 1 H1 GLY 1 1H GLY 1 14.569 -21.687 6.922 2 HA2 GLY 1 1HA GLY 1 12.761 -24.017 6.984 3 HA3 GLY 1 2HA GLY 1 12.792 -22.872 8.316 4 H SER 2 H SER 2 10.575 -23.608 6.562 5 HA SER 2 HA SER 2 9.640 -20.956 5.993 6 HB2 SER 2 1HB SER 2 10.164 -22.877 3.718 7 HB3 SER 2 2HB SER 2 9.108 -21.471 3.580 8 HG SER 2 HG SER 2 11.857 -21.618 3.656 9 H SER 3 H SER 3 7.549 -20.897 6.473 10 HA SER 3 HA SER 3 5.882 -23.253 5.984 11 HB2 SER 3 1HB SER 3 5.989 -21.804 8.641 12 HB3 SER 3 2HB SER 3 4.889 -23.118 8.226 13 HG SER 3 HG SER 3 6.532 -24.532 8.265 14 H GLY 4 H GLY 4 3.980 -22.734 5.107 15 HA2 GLY 4 1HA GLY 4 3.334 -19.945 4.706 16 HA3 GLY 4 2HA GLY 4 2.471 -21.325 4.042 17 H SER 5 H SER 5 3.200 -20.537 7.423 18 HA SER 5 HA SER 5 0.634 -21.235 8.338 19 HB2 SER 5 1HB SER 5 2.846 -21.023 9.661 20 HB3 SER 5 2HB SER 5 2.433 -19.314 9.801 21 HG SER 5 HG SER 5 0.973 -19.802 11.230 22 H SER 6 H SER 6 -1.223 -20.200 8.108 23 HA SER 6 HA SER 6 -1.217 -17.379 7.361 24 HB2 SER 6 1HB SER 6 -2.566 -19.109 6.096 25 HB3 SER 6 2HB SER 6 -3.598 -19.235 7.520 26 HG SER 6 HG SER 6 -4.523 -17.738 6.177 27 H GLY 7 H GLY 7 -1.098 -16.045 9.063 28 HA2 GLY 7 1HA GLY 7 -2.893 -16.587 11.348 29 HA3 GLY 7 2HA GLY 7 -1.326 -15.809 11.511 30 H THR 8 H THR 8 -1.260 -13.893 9.678 31 HA THR 8 HA THR 8 -3.025 -11.925 10.728 32 HB THR 8 HB THR 8 -2.004 -10.405 9.061 33 HG1 THR 8 HG1 THR 8 -0.632 -11.173 7.539 34 HG21 THR 8 3HG2 THR 8 0.411 -11.738 10.004 35 HG22 THR 8 1HG2 THR 8 -0.812 -11.561 11.261 36 HG23 THR 8 2HG2 THR 8 -0.224 -10.141 10.397 37 H GLY 9 H GLY 9 -4.663 -10.756 9.677 38 HA2 GLY 9 1HA GLY 9 -6.390 -12.287 8.047 39 HA3 GLY 9 2HA GLY 9 -6.567 -10.576 8.406 40 H GLU 10 H GLU 10 -7.397 -10.760 6.098 41 HA GLU 10 HA GLU 10 -5.143 -10.377 4.238 42 HB2 GLU 10 1HB GLU 10 -7.881 -11.530 3.685 43 HB3 GLU 10 2HB GLU 10 -6.719 -11.109 2.435 44 HG2 GLU 10 1HG GLU 10 -6.043 -13.030 4.633 45 HG3 GLU 10 2HG GLU 10 -6.859 -13.546 3.158 46 H LYS 11 H LYS 11 -5.020 -8.159 4.508 47 HA LYS 11 HA LYS 11 -7.217 -6.399 4.497 48 HB2 LYS 11 1HB LYS 11 -4.309 -5.950 3.813 49 HB3 LYS 11 2HB LYS 11 -5.490 -4.653 3.942 50 HG2 LYS 11 1HG LYS 11 -5.795 -5.033 6.255 51 HG3 LYS 11 2HG LYS 11 -4.921 -6.566 6.189 52 HD2 LYS 11 1HD LYS 11 -2.862 -5.349 5.619 53 HD3 LYS 11 2HD LYS 11 -3.745 -3.824 5.725 54 HE2 LYS 11 1HE LYS 11 -2.701 -4.003 7.801 55 HE3 LYS 11 2HE LYS 11 -4.341 -4.572 8.110 56 HZ1 LYS 11 3HZ LYS 11 -1.857 -5.979 8.322 57 HZ2 LYS 11 1HZ LYS 11 -2.989 -6.822 7.390 58 HZ3 LYS 11 2HZ LYS 11 -3.371 -6.362 8.971 59 HA PRO 12 HA PRO 12 -8.372 -6.262 0.252 60 HB2 PRO 12 1HB PRO 12 -9.515 -3.800 0.190 61 HB3 PRO 12 2HB PRO 12 -10.280 -5.195 0.960 62 HG2 PRO 12 1HG PRO 12 -8.727 -2.960 2.206 63 HG3 PRO 12 2HG PRO 12 -10.233 -3.718 2.755 64 HD2 PRO 12 1HD PRO 12 -7.822 -4.329 3.825 65 HD3 PRO 12 2HD PRO 12 -9.136 -5.515 3.692 66 H TYR 13 H TYR 13 -6.617 -3.504 1.612 67 HA TYR 13 HA TYR 13 -5.696 -2.710 -1.039 68 HB2 TYR 13 1HB TYR 13 -5.097 -1.452 1.645 69 HB3 TYR 13 2HB TYR 13 -4.761 -0.757 0.063 70 HD1 TYR 13 HD1 TYR 13 -7.357 -1.492 2.538 71 HD2 TYR 13 HD2 TYR 13 -6.547 0.190 -1.286 72 HE1 TYR 13 HE1 TYR 13 -9.569 -0.418 2.549 73 HE2 TYR 13 HE2 TYR 13 -8.757 1.270 -1.285 74 HH TYR 13 HH TYR 13 -10.444 2.010 0.905 75 H ASN 14 H ASN 14 -3.710 -3.096 -1.818 76 HA ASN 14 HA ASN 14 -1.548 -3.874 -0.037 77 HB2 ASN 14 1HB ASN 14 -1.100 -5.850 -1.696 78 HB3 ASN 14 2HB ASN 14 -2.257 -6.055 -0.384 79 HD21 ASN 14 1HD2 ASN 14 -2.034 -5.112 -3.784 80 HD22 ASN 14 2HD2 ASN 14 -3.566 -5.763 -4.246 81 H CYS 15 H CYS 15 -0.015 -2.484 -0.617 82 HA CYS 15 HA CYS 15 0.182 -1.128 -3.032 83 HB2 CYS 15 1HB CYS 15 1.347 -0.467 -0.949 84 HB3 CYS 15 2HB CYS 15 2.444 -1.829 -1.149 85 H LYS 16 H LYS 16 1.409 -1.397 -4.886 86 HA LYS 16 HA LYS 16 2.191 -4.167 -5.439 87 HB2 LYS 16 1HB LYS 16 1.745 -1.867 -7.352 88 HB3 LYS 16 2HB LYS 16 2.072 -3.535 -7.804 89 HG2 LYS 16 1HG LYS 16 -0.315 -2.752 -6.161 90 HG3 LYS 16 2HG LYS 16 -0.335 -2.770 -7.926 91 HD2 LYS 16 1HD LYS 16 0.650 -5.187 -6.492 92 HD3 LYS 16 2HD LYS 16 -1.087 -4.874 -6.517 93 HE2 LYS 16 1HE LYS 16 0.690 -5.040 -8.949 94 HE3 LYS 16 2HE LYS 16 -0.355 -6.334 -8.364 95 HZ1 LYS 16 3HZ LYS 16 -2.194 -4.567 -8.577 96 HZ2 LYS 16 1HZ LYS 16 -1.629 -5.323 -9.981 97 HZ3 LYS 16 2HZ LYS 16 -1.105 -3.762 -9.591 98 H GLU 17 H GLU 17 3.416 -0.865 -5.498 99 HA GLU 17 HA GLU 17 5.802 -1.123 -6.797 100 HB2 GLU 17 1HB GLU 17 5.010 0.482 -4.390 101 HB3 GLU 17 2HB GLU 17 6.664 0.535 -4.981 102 HG2 GLU 17 1HG GLU 17 4.219 1.206 -6.603 103 HG3 GLU 17 2HG GLU 17 5.292 2.377 -5.837 104 H CYS 18 H CYS 18 5.535 -1.427 -3.252 105 HA CYS 18 HA CYS 18 7.978 -3.028 -3.244 106 HB2 CYS 18 1HB CYS 18 7.924 -2.718 -0.802 107 HB3 CYS 18 2HB CYS 18 7.850 -1.178 -1.652 108 H GLY 19 H GLY 19 4.574 -3.232 -2.311 109 HA2 GLY 19 1HA GLY 19 3.395 -5.318 -2.621 110 HA3 GLY 19 2HA GLY 19 4.881 -6.163 -2.213 111 H LYS 20 H LYS 20 3.269 -3.465 -0.563 112 HA LYS 20 HA LYS 20 3.266 -5.083 1.887 113 HB2 LYS 20 1HB LYS 20 3.400 -2.151 1.332 114 HB3 LYS 20 2HB LYS 20 2.700 -2.687 2.854 115 HG2 LYS 20 1HG LYS 20 4.849 -4.058 3.132 116 HG3 LYS 20 2HG LYS 20 5.499 -3.037 1.848 117 HD2 LYS 20 1HD LYS 20 5.148 -1.061 3.149 118 HD3 LYS 20 2HD LYS 20 4.251 -1.963 4.373 119 HE2 LYS 20 1HE LYS 20 6.501 -3.343 4.491 120 HE3 LYS 20 2HE LYS 20 7.179 -1.847 3.852 121 HZ1 LYS 20 3HZ LYS 20 5.776 -2.275 6.416 122 HZ2 LYS 20 1HZ LYS 20 5.936 -0.729 5.749 123 HZ3 LYS 20 2HZ LYS 20 7.314 -1.623 6.152 124 H SER 21 H SER 21 1.401 -4.176 3.438 125 HA SER 21 HA SER 21 -1.106 -4.226 1.889 126 HB2 SER 21 1HB SER 21 -2.091 -5.550 3.776 127 HB3 SER 21 2HB SER 21 -0.831 -6.407 2.889 128 HG SER 21 HG SER 21 0.625 -5.805 4.561 129 H PHE 22 H PHE 22 -2.986 -3.363 3.087 130 HA PHE 22 HA PHE 22 -2.489 -1.653 5.349 131 HB2 PHE 22 1HB PHE 22 -3.134 -0.441 2.654 132 HB3 PHE 22 2HB PHE 22 -3.214 0.427 4.183 133 HD1 PHE 22 HD2 PHE 22 -0.977 -1.155 1.740 134 HD2 PHE 22 HD1 PHE 22 -1.238 1.186 5.284 135 HE1 PHE 22 HE2 PHE 22 1.407 -0.584 1.534 136 HE2 PHE 22 HE1 PHE 22 1.146 1.762 5.084 137 HZ PHE 22 HZ PHE 22 2.472 0.876 3.207 138 H ARG 23 H ARG 23 -4.315 -1.297 6.498 139 HA ARG 23 HA ARG 23 -6.677 -2.720 5.762 140 HB2 ARG 23 1HB ARG 23 -5.677 -2.179 8.129 141 HB3 ARG 23 2HB ARG 23 -6.632 -0.710 7.979 142 HG2 ARG 23 1HG ARG 23 -7.972 -3.304 7.443 143 HG3 ARG 23 2HG ARG 23 -7.590 -2.887 9.115 144 HD2 ARG 23 1HD ARG 23 -8.758 -0.714 8.767 145 HD3 ARG 23 2HD ARG 23 -9.246 -1.285 7.172 146 HE ARG 23 HE ARG 23 -10.447 -1.954 9.654 147 HH11 ARG 23 1HH1 ARG 23 -9.647 -3.260 6.528 148 HH12 ARG 23 2HH1 ARG 23 -10.929 -4.426 6.542 149 HH21 ARG 23 1HH2 ARG 23 -12.139 -3.484 9.685 150 HH22 ARG 23 2HH2 ARG 23 -12.346 -4.552 8.338 151 H TRP 24 H TRP 24 -6.060 0.742 6.365 152 HA TRP 24 HA TRP 24 -8.498 1.378 4.862 153 HB2 TRP 24 1HB TRP 24 -6.868 2.873 6.894 154 HB3 TRP 24 2HB TRP 24 -7.953 3.741 5.811 155 HD1 TRP 24 HD1 TRP 24 -7.937 2.222 9.116 156 HE1 TRP 24 HE1 TRP 24 -10.329 1.790 9.964 157 HE3 TRP 24 HE3 TRP 24 -10.474 2.792 4.714 158 HZ2 TRP 24 HZ2 TRP 24 -12.944 1.700 8.906 159 HZ3 TRP 24 HZ3 TRP 24 -12.919 2.516 4.718 160 HH2 TRP 24 HH2 TRP 24 -14.127 1.981 6.771 161 H ALA 25 H ALA 25 -8.481 2.957 3.208 162 HA ALA 25 HA ALA 25 -6.426 2.759 1.353 163 HB1 ALA 25 3HB ALA 25 -7.518 4.529 0.139 164 HB2 ALA 25 1HB ALA 25 -8.741 3.474 0.849 165 HB3 ALA 25 2HB ALA 25 -8.387 5.037 1.588 166 H SER 26 H SER 26 -7.237 5.714 3.187 167 HA SER 26 HA SER 26 -5.180 7.330 2.586 168 HB2 SER 26 1HB SER 26 -6.284 6.854 5.364 169 HB3 SER 26 2HB SER 26 -5.305 8.246 4.901 170 HG SER 26 HG SER 26 -7.768 8.332 4.830 171 H CYS 27 H CYS 27 -5.007 4.942 5.231 172 HA CYS 27 HA CYS 27 -2.450 5.262 6.076 173 HB2 CYS 27 1HB CYS 27 -4.003 2.708 5.659 174 HB3 CYS 27 2HB CYS 27 -2.435 2.743 6.457 175 HG CYS 27 HG CYS 27 -4.288 2.557 8.476 176 H LEU 28 H LEU 28 -3.434 3.224 3.327 177 HA LEU 28 HA LEU 28 -0.865 2.401 2.579 178 HB2 LEU 28 1HB LEU 28 -2.598 1.191 1.627 179 HB3 LEU 28 2HB LEU 28 -3.477 2.641 1.147 180 HG LEU 28 HG LEU 28 -1.807 3.036 -0.625 181 HD11 LEU 28 1HD1 LEU 28 -0.137 1.483 0.786 182 HD12 LEU 28 2HD1 LEU 28 0.045 1.787 -0.942 183 HD13 LEU 28 3HD1 LEU 28 -0.726 0.302 -0.385 184 HD21 LEU 28 3HD2 LEU 28 -3.802 1.897 -1.257 185 HD22 LEU 28 1HD2 LEU 28 -3.208 0.370 -0.604 186 HD23 LEU 28 2HD2 LEU 28 -2.453 1.069 -2.037 187 H LEU 29 H LEU 29 -2.797 5.181 1.526 188 HA LEU 29 HA LEU 29 -1.147 6.162 -0.468 189 HB2 LEU 29 1HB LEU 29 -2.958 7.533 1.493 190 HB3 LEU 29 2HB LEU 29 -2.068 8.437 0.270 191 HG LEU 29 HG LEU 29 -4.001 6.219 -0.382 192 HD11 LEU 29 1HD1 LEU 29 -4.499 8.957 0.438 193 HD12 LEU 29 2HD1 LEU 29 -5.625 7.619 0.214 194 HD13 LEU 29 3HD1 LEU 29 -5.142 8.605 -1.166 195 HD21 LEU 29 3HD2 LEU 29 -3.138 8.444 -2.185 196 HD22 LEU 29 1HD2 LEU 29 -3.778 6.853 -2.596 197 HD23 LEU 29 2HD2 LEU 29 -2.129 7.011 -1.989 198 H LYS 30 H LYS 30 -1.193 7.268 2.926 199 HA LYS 30 HA LYS 30 0.882 8.983 2.993 200 HB2 LYS 30 1HB LYS 30 -0.403 8.408 4.981 201 HB3 LYS 30 2HB LYS 30 0.325 6.807 5.017 202 HG2 LYS 30 1HG LYS 30 2.372 7.610 5.738 203 HG3 LYS 30 2HG LYS 30 2.042 9.248 5.170 204 HD2 LYS 30 1HD LYS 30 0.408 8.003 7.356 205 HD3 LYS 30 2HD LYS 30 1.952 8.785 7.703 206 HE2 LYS 30 1HE LYS 30 -0.344 10.102 6.258 207 HE3 LYS 30 2HE LYS 30 -0.025 10.272 7.983 208 HZ1 LYS 30 3HZ LYS 30 2.264 10.828 6.338 209 HZ2 LYS 30 1HZ LYS 30 1.598 11.731 7.604 210 HZ3 LYS 30 2HZ LYS 30 0.968 11.872 6.041 211 H HIS 31 H HIS 31 1.138 5.475 2.812 212 HA HIS 31 HA HIS 31 3.988 5.428 3.080 213 HB2 HIS 31 1HB HIS 31 3.096 3.398 3.705 214 HB3 HIS 31 2HB HIS 31 1.865 3.430 2.446 215 HD1 HIS 31 HD1 HIS 31 5.623 2.943 2.746 216 HD2 HIS 31 HD2 HIS 31 2.433 1.847 0.320 217 HE1 HIS 31 HE1 HIS 31 6.574 1.320 1.077 218 H GLN 32 H GLN 32 1.715 5.315 0.376 219 HA GLN 32 HA GLN 32 3.294 4.677 -1.738 220 HB2 GLN 32 1HB GLN 32 1.168 6.807 -1.544 221 HB3 GLN 32 2HB GLN 32 1.913 6.344 -3.068 222 HG2 GLN 32 1HG GLN 32 1.196 3.939 -2.355 223 HG3 GLN 32 2HG GLN 32 0.063 4.802 -1.316 224 HE21 GLN 32 1HE2 GLN 32 -1.859 5.003 -2.185 225 HE22 GLN 32 2HE2 GLN 32 -2.210 5.211 -3.864 226 H ARG 33 H ARG 33 3.492 7.535 0.209 227 HA ARG 33 HA ARG 33 4.738 9.372 -1.382 228 HB2 ARG 33 1HB ARG 33 5.132 8.654 1.508 229 HB3 ARG 33 2HB ARG 33 6.092 9.926 0.765 230 HG2 ARG 33 1HG ARG 33 4.118 11.191 0.247 231 HG3 ARG 33 2HG ARG 33 3.084 9.876 0.808 232 HD2 ARG 33 1HD ARG 33 4.810 11.737 2.396 233 HD3 ARG 33 2HD ARG 33 3.101 11.356 2.604 234 HE ARG 33 HE ARG 33 3.685 9.484 3.819 235 HH11 ARG 33 1HH1 ARG 33 6.510 10.890 2.348 236 HH12 ARG 33 2HH1 ARG 33 7.625 9.928 3.261 237 HH21 ARG 33 1HH2 ARG 33 5.143 8.212 5.028 238 HH22 ARG 33 2HH2 ARG 33 6.846 8.405 4.784 239 H VAL 34 H VAL 34 6.304 6.684 0.342 240 HA VAL 34 HA VAL 34 8.936 7.157 -0.326 241 HB VAL 34 HB VAL 34 9.388 4.850 0.064 242 HG11 VAL 34 1HG1 VAL 34 8.304 4.474 2.177 243 HG12 VAL 34 2HG1 VAL 34 8.607 6.203 1.996 244 HG13 VAL 34 3HG1 VAL 34 6.984 5.560 1.740 245 HG21 VAL 34 3HG2 VAL 34 7.605 4.030 -1.511 246 HG22 VAL 34 1HG2 VAL 34 7.781 3.100 -0.023 247 HG23 VAL 34 2HG2 VAL 34 6.449 4.243 -0.197 248 H HIS 35 H HIS 35 6.367 5.847 -2.306 249 HA HIS 35 HA HIS 35 8.230 5.245 -4.474 250 HB2 HIS 35 1HB HIS 35 5.233 4.858 -4.423 251 HB3 HIS 35 2HB HIS 35 6.375 4.165 -5.572 252 HD1 HIS 35 HD1 HIS 35 8.320 2.632 -4.179 253 HD2 HIS 35 HD2 HIS 35 4.518 3.053 -2.560 254 HE1 HIS 35 HE1 HIS 35 8.063 0.723 -2.562 255 H SER 36 H SER 36 7.579 8.003 -3.552 256 HA SER 36 HA SER 36 6.136 9.103 -5.838 257 HB2 SER 36 1HB SER 36 5.989 11.127 -4.629 258 HB3 SER 36 2HB SER 36 5.790 9.869 -3.410 259 HG SER 36 HG SER 36 7.476 11.787 -3.279 260 H GLY 37 H GLY 37 8.532 7.904 -6.542 261 HA2 GLY 37 1HA GLY 37 9.753 9.723 -8.179 262 HA3 GLY 37 2HA GLY 37 10.654 9.834 -6.675 263 H GLU 38 H GLU 38 11.287 8.799 -9.457 264 HA GLU 38 HA GLU 38 11.837 5.991 -8.966 265 HB2 GLU 38 1HB GLU 38 11.140 7.116 -11.219 266 HB3 GLU 38 2HB GLU 38 12.849 7.510 -11.344 267 HG2 GLU 38 1HG GLU 38 13.440 5.177 -11.255 268 HG3 GLU 38 2HG GLU 38 11.756 4.729 -10.985 269 H LYS 39 H LYS 39 13.559 5.418 -7.832 270 HA LYS 39 HA LYS 39 15.979 7.089 -7.992 271 HB2 LYS 39 1HB LYS 39 15.054 7.024 -5.746 272 HB3 LYS 39 2HB LYS 39 15.027 5.265 -5.777 273 HG2 LYS 39 1HG LYS 39 16.936 5.575 -4.599 274 HG3 LYS 39 2HG LYS 39 17.614 5.603 -6.228 275 HD2 LYS 39 1HD LYS 39 18.570 7.477 -5.252 276 HD3 LYS 39 2HD LYS 39 17.177 8.156 -6.098 277 HE2 LYS 39 1HE LYS 39 16.021 8.554 -4.153 278 HE3 LYS 39 2HE LYS 39 16.849 7.271 -3.272 279 HZ1 LYS 39 3HZ LYS 39 17.935 9.936 -3.993 280 HZ2 LYS 39 1HZ LYS 39 18.872 8.685 -3.345 281 HZ3 LYS 39 2HZ LYS 39 17.607 9.349 -2.441 282 HA PRO 40 HA PRO 40 18.016 3.718 -9.975 283 HB2 PRO 40 1HB PRO 40 20.580 4.474 -9.502 284 HB3 PRO 40 2HB PRO 40 19.548 5.272 -10.695 285 HG2 PRO 40 1HG PRO 40 20.208 6.109 -7.898 286 HG3 PRO 40 2HG PRO 40 20.120 7.095 -9.369 287 HD2 PRO 40 1HD PRO 40 18.119 7.017 -7.547 288 HD3 PRO 40 2HD PRO 40 17.822 7.246 -9.282 289 H SER 41 H SER 41 18.173 1.723 -9.186 290 HA SER 41 HA SER 41 20.062 0.961 -7.237 291 HB2 SER 41 1HB SER 41 18.557 0.276 -5.419 292 HB3 SER 41 2HB SER 41 18.472 2.018 -5.683 293 HG SER 41 HG SER 41 16.482 0.305 -5.693 294 H GLY 42 H GLY 42 20.588 -1.074 -7.695 295 HA2 GLY 42 1HA GLY 42 19.459 -3.382 -7.793 296 HA3 GLY 42 2HA GLY 42 18.635 -2.698 -9.187 297 HA PRO 43 HA PRO 43 21.958 -3.632 -11.893 298 HB2 PRO 43 1HB PRO 43 22.624 -1.306 -13.124 299 HB3 PRO 43 2HB PRO 43 21.115 -2.167 -13.449 300 HG2 PRO 43 1HG PRO 43 21.603 0.198 -11.680 301 HG3 PRO 43 2HG PRO 43 20.270 -0.096 -12.812 302 HD2 PRO 43 1HD PRO 43 20.023 -0.472 -10.142 303 HD3 PRO 43 2HD PRO 43 19.144 -1.456 -11.331 304 H SER 44 H SER 44 23.921 -4.228 -11.237 305 HA SER 44 HA SER 44 25.672 -2.199 -10.009 306 HB2 SER 44 1HB SER 44 24.826 -4.327 -8.685 307 HB3 SER 44 2HB SER 44 26.131 -5.121 -9.567 308 HG SER 44 HG SER 44 27.357 -3.128 -8.732 309 H SER 45 H SER 45 27.652 -1.874 -10.855 310 HA SER 45 HA SER 45 28.295 -2.444 -13.437 311 HB2 SER 45 1HB SER 45 29.586 -0.818 -12.252 312 HB3 SER 45 2HB SER 45 30.135 -2.014 -11.078 313 HG SER 45 HG SER 45 31.426 -1.307 -13.168 314 H GLY 46 H GLY 46 29.791 -3.897 -14.455 315 HA2 GLY 46 1HA GLY 46 31.050 -5.885 -14.587 316 HA3 GLY 46 2HA GLY 46 30.473 -6.330 -12.988 Start of MODEL 19 1 H1 GLY 1 1H GLY 1 5.247 -21.991 4.756 2 HA2 GLY 1 1HA GLY 1 4.316 -23.526 3.139 3 HA3 GLY 1 2HA GLY 1 4.751 -24.847 4.214 4 H SER 2 H SER 2 2.229 -23.057 3.089 5 HA SER 2 HA SER 2 0.651 -22.738 5.428 6 HB2 SER 2 1HB SER 2 0.327 -21.548 3.206 7 HB3 SER 2 2HB SER 2 -0.398 -23.042 2.611 8 HG SER 2 HG SER 2 -1.357 -21.217 4.495 9 H SER 3 H SER 3 0.324 -24.518 6.643 10 HA SER 3 HA SER 3 -0.129 -27.112 5.556 11 HB2 SER 3 1HB SER 3 -0.410 -27.838 7.817 12 HB3 SER 3 2HB SER 3 0.846 -26.600 7.839 13 HG SER 3 HG SER 3 -1.643 -26.598 8.987 14 H GLY 4 H GLY 4 -2.232 -24.629 6.964 15 HA2 GLY 4 1HA GLY 4 -4.455 -25.395 5.383 16 HA3 GLY 4 2HA GLY 4 -4.625 -26.050 7.005 17 H SER 5 H SER 5 -6.556 -24.689 7.068 18 HA SER 5 HA SER 5 -7.663 -22.897 7.936 19 HB2 SER 5 1HB SER 5 -5.641 -22.914 9.523 20 HB3 SER 5 2HB SER 5 -5.009 -21.597 8.536 21 HG SER 5 HG SER 5 -7.242 -20.671 8.962 22 H SER 6 H SER 6 -7.620 -22.891 5.322 23 HA SER 6 HA SER 6 -6.491 -20.435 4.272 24 HB2 SER 6 1HB SER 6 -7.530 -21.191 2.127 25 HB3 SER 6 2HB SER 6 -6.434 -22.379 2.831 26 HG SER 6 HG SER 6 -8.087 -23.663 3.294 27 H GLY 7 H GLY 7 -8.182 -19.758 6.266 28 HA2 GLY 7 1HA GLY 7 -10.388 -18.495 4.781 29 HA3 GLY 7 2HA GLY 7 -10.728 -19.333 6.288 30 H THR 8 H THR 8 -8.140 -17.103 5.277 31 HA THR 8 HA THR 8 -8.690 -15.526 7.697 32 HB THR 8 HB THR 8 -6.393 -16.445 7.468 33 HG1 THR 8 HG1 THR 8 -6.122 -13.664 7.187 34 HG21 THR 8 3HG2 THR 8 -6.489 -16.045 4.884 35 HG22 THR 8 1HG2 THR 8 -4.956 -15.899 5.743 36 HG23 THR 8 2HG2 THR 8 -5.862 -14.451 5.305 37 H GLY 9 H GLY 9 -9.080 -13.348 7.595 38 HA2 GLY 9 1HA GLY 9 -9.911 -12.333 5.002 39 HA3 GLY 9 2HA GLY 9 -10.182 -11.566 6.560 40 H GLU 10 H GLU 10 -7.927 -12.012 3.927 41 HA GLU 10 HA GLU 10 -5.813 -10.466 5.009 42 HB2 GLU 10 1HB GLU 10 -5.909 -12.108 2.942 43 HB3 GLU 10 2HB GLU 10 -6.261 -10.628 2.061 44 HG2 GLU 10 1HG GLU 10 -4.191 -9.664 2.660 45 HG3 GLU 10 2HG GLU 10 -3.877 -10.914 3.862 46 H LYS 11 H LYS 11 -5.093 -8.365 4.233 47 HA LYS 11 HA LYS 11 -7.125 -6.412 4.407 48 HB2 LYS 11 1HB LYS 11 -4.188 -6.388 3.895 49 HB3 LYS 11 2HB LYS 11 -5.104 -4.938 3.508 50 HG2 LYS 11 1HG LYS 11 -5.724 -4.590 5.728 51 HG3 LYS 11 2HG LYS 11 -5.332 -6.247 6.192 52 HD2 LYS 11 1HD LYS 11 -3.215 -4.376 5.183 53 HD3 LYS 11 2HD LYS 11 -3.714 -4.361 6.876 54 HE2 LYS 11 1HE LYS 11 -3.120 -6.692 7.109 55 HE3 LYS 11 2HE LYS 11 -2.738 -6.799 5.391 56 HZ1 LYS 11 3HZ LYS 11 -1.215 -5.558 7.560 57 HZ2 LYS 11 1HZ LYS 11 -1.117 -4.853 6.025 58 HZ3 LYS 11 2HZ LYS 11 -0.671 -6.470 6.243 59 HA PRO 12 HA PRO 12 -8.474 -6.056 0.232 60 HB2 PRO 12 1HB PRO 12 -9.396 -3.503 0.289 61 HB3 PRO 12 2HB PRO 12 -10.243 -4.848 1.063 62 HG2 PRO 12 1HG PRO 12 -8.437 -2.794 2.281 63 HG3 PRO 12 2HG PRO 12 -9.976 -3.432 2.889 64 HD2 PRO 12 1HD PRO 12 -7.578 -4.282 3.816 65 HD3 PRO 12 2HD PRO 12 -8.997 -5.344 3.724 66 H TYR 13 H TYR 13 -6.614 -3.295 1.499 67 HA TYR 13 HA TYR 13 -5.675 -2.624 -1.164 68 HB2 TYR 13 1HB TYR 13 -4.792 -1.366 1.432 69 HB3 TYR 13 2HB TYR 13 -4.727 -0.673 -0.185 70 HD1 TYR 13 HD2 TYR 13 -6.764 0.177 -1.256 71 HD2 TYR 13 HD1 TYR 13 -6.827 -1.334 2.721 72 HE1 TYR 13 HE2 TYR 13 -8.951 1.242 -0.892 73 HE2 TYR 13 HE1 TYR 13 -9.015 -0.274 3.095 74 HH TYR 13 HH TYR 13 -10.511 1.772 0.626 75 H ASN 14 H ASN 14 -3.594 -2.828 -1.906 76 HA ASN 14 HA ASN 14 -1.556 -3.968 -0.167 77 HB2 ASN 14 1HB ASN 14 -1.059 -5.766 -1.852 78 HB3 ASN 14 2HB ASN 14 -2.580 -5.977 -0.990 79 HD21 ASN 14 1HD2 ASN 14 -2.733 -7.424 -2.988 80 HD22 ASN 14 2HD2 ASN 14 -3.512 -6.726 -4.362 81 H CYS 15 H CYS 15 0.151 -2.711 -0.463 82 HA CYS 15 HA CYS 15 0.498 -0.983 -2.660 83 HB2 CYS 15 1HB CYS 15 1.480 -0.684 -0.362 84 HB3 CYS 15 2HB CYS 15 2.653 -1.933 -0.767 85 H LYS 16 H LYS 16 0.790 -1.708 -4.668 86 HA LYS 16 HA LYS 16 2.070 -4.179 -5.284 87 HB2 LYS 16 1HB LYS 16 1.838 -3.450 -7.635 88 HB3 LYS 16 2HB LYS 16 0.334 -3.306 -6.735 89 HG2 LYS 16 1HG LYS 16 1.226 -0.839 -6.366 90 HG3 LYS 16 2HG LYS 16 2.084 -1.198 -7.866 91 HD2 LYS 16 1HD LYS 16 -0.835 -1.802 -7.651 92 HD3 LYS 16 2HD LYS 16 -0.307 -0.142 -7.934 93 HE2 LYS 16 1HE LYS 16 0.840 -2.315 -9.617 94 HE3 LYS 16 2HE LYS 16 -0.812 -1.785 -9.934 95 HZ1 LYS 16 3HZ LYS 16 0.261 -0.307 -11.233 96 HZ2 LYS 16 1HZ LYS 16 1.701 -0.378 -10.347 97 HZ3 LYS 16 2HZ LYS 16 0.408 0.558 -9.786 98 H GLU 17 H GLU 17 3.091 -0.824 -5.193 99 HA GLU 17 HA GLU 17 5.403 -0.820 -6.640 100 HB2 GLU 17 1HB GLU 17 4.580 0.554 -4.123 101 HB3 GLU 17 2HB GLU 17 6.259 0.680 -4.627 102 HG2 GLU 17 1HG GLU 17 4.012 1.316 -6.502 103 HG3 GLU 17 2HG GLU 17 4.636 2.509 -5.364 104 H CYS 18 H CYS 18 5.308 -1.532 -3.143 105 HA CYS 18 HA CYS 18 7.845 -2.973 -3.428 106 HB2 CYS 18 1HB CYS 18 7.883 -2.881 -0.926 107 HB3 CYS 18 2HB CYS 18 7.878 -1.300 -1.700 108 H GLY 19 H GLY 19 4.539 -3.373 -2.233 109 HA2 GLY 19 1HA GLY 19 3.455 -5.518 -2.675 110 HA3 GLY 19 2HA GLY 19 4.985 -6.292 -2.293 111 H LYS 20 H LYS 20 3.041 -3.808 -0.638 112 HA LYS 20 HA LYS 20 3.108 -5.515 1.763 113 HB2 LYS 20 1HB LYS 20 3.190 -2.518 1.468 114 HB3 LYS 20 2HB LYS 20 2.771 -3.293 2.991 115 HG2 LYS 20 1HG LYS 20 4.948 -4.459 2.954 116 HG3 LYS 20 2HG LYS 20 5.364 -3.572 1.486 117 HD2 LYS 20 1HD LYS 20 4.877 -1.459 2.850 118 HD3 LYS 20 2HD LYS 20 4.942 -2.512 4.265 119 HE2 LYS 20 1HE LYS 20 7.208 -3.219 3.600 120 HE3 LYS 20 2HE LYS 20 7.136 -2.105 2.234 121 HZ1 LYS 20 3HZ LYS 20 7.983 -0.598 3.606 122 HZ2 LYS 20 1HZ LYS 20 7.747 -1.574 4.968 123 HZ3 LYS 20 2HZ LYS 20 6.497 -0.579 4.414 124 H SER 21 H SER 21 1.274 -4.536 3.356 125 HA SER 21 HA SER 21 -1.214 -4.305 1.806 126 HB2 SER 21 1HB SER 21 -0.792 -6.118 4.195 127 HB3 SER 21 2HB SER 21 -2.324 -5.862 3.360 128 HG SER 21 HG SER 21 -1.198 -6.651 1.440 129 H PHE 22 H PHE 22 -2.929 -3.226 2.855 130 HA PHE 22 HA PHE 22 -2.345 -1.949 5.417 131 HB2 PHE 22 1HB PHE 22 -3.007 -0.448 2.878 132 HB3 PHE 22 2HB PHE 22 -3.078 0.265 4.486 133 HD1 PHE 22 HD2 PHE 22 -0.762 -1.447 2.139 134 HD2 PHE 22 HD1 PHE 22 -1.190 1.233 5.419 135 HE1 PHE 22 HE2 PHE 22 1.631 -0.891 1.994 136 HE2 PHE 22 HE1 PHE 22 1.201 1.793 5.278 137 HZ PHE 22 HZ PHE 22 2.616 0.730 3.565 138 H ARG 23 H ARG 23 -4.167 -1.309 6.577 139 HA ARG 23 HA ARG 23 -6.566 -2.743 5.942 140 HB2 ARG 23 1HB ARG 23 -5.616 -1.059 8.213 141 HB3 ARG 23 2HB ARG 23 -7.346 -1.324 8.042 142 HG2 ARG 23 1HG ARG 23 -5.514 -3.668 7.951 143 HG3 ARG 23 2HG ARG 23 -5.877 -2.916 9.506 144 HD2 ARG 23 1HD ARG 23 -8.105 -3.487 9.414 145 HD3 ARG 23 2HD ARG 23 -8.118 -3.571 7.653 146 HE ARG 23 HE ARG 23 -7.495 -5.772 7.786 147 HH11 ARG 23 1HH1 ARG 23 -6.989 -4.246 10.874 148 HH12 ARG 23 2HH1 ARG 23 -6.634 -5.729 11.696 149 HH21 ARG 23 1HH2 ARG 23 -7.030 -7.732 8.857 150 HH22 ARG 23 2HH2 ARG 23 -6.657 -7.711 10.547 151 H TRP 24 H TRP 24 -5.856 0.718 6.436 152 HA TRP 24 HA TRP 24 -8.335 1.379 5.018 153 HB2 TRP 24 1HB TRP 24 -6.612 2.792 6.995 154 HB3 TRP 24 2HB TRP 24 -7.494 3.776 5.830 155 HD1 TRP 24 HD1 TRP 24 -7.905 2.805 9.195 156 HE1 TRP 24 HE1 TRP 24 -10.373 2.580 9.891 157 HE3 TRP 24 HE3 TRP 24 -10.039 2.567 4.555 158 HZ2 TRP 24 HZ2 TRP 24 -12.891 2.334 8.639 159 HZ3 TRP 24 HZ3 TRP 24 -12.483 2.336 4.391 160 HH2 TRP 24 HH2 TRP 24 -13.878 2.222 6.392 161 H ALA 25 H ALA 25 -8.348 2.922 3.316 162 HA ALA 25 HA ALA 25 -6.298 2.582 1.417 163 HB1 ALA 25 3HB ALA 25 -8.837 4.007 1.580 164 HB2 ALA 25 1HB ALA 25 -7.639 4.820 0.573 165 HB3 ALA 25 2HB ALA 25 -8.099 3.153 0.224 166 H SER 26 H SER 26 -7.296 5.610 3.027 167 HA SER 26 HA SER 26 -5.294 7.266 2.236 168 HB2 SER 26 1HB SER 26 -6.339 7.179 5.074 169 HB3 SER 26 2HB SER 26 -5.682 8.578 4.225 170 HG SER 26 HG SER 26 -7.552 7.883 2.673 171 H CYS 27 H CYS 27 -5.144 4.931 4.894 172 HA CYS 27 HA CYS 27 -2.649 5.586 5.923 173 HB2 CYS 27 1HB CYS 27 -4.206 3.988 6.979 174 HB3 CYS 27 2HB CYS 27 -3.877 2.830 5.696 175 HG CYS 27 HG CYS 27 -2.117 3.521 8.442 176 H LEU 28 H LEU 28 -3.480 3.424 3.243 177 HA LEU 28 HA LEU 28 -0.855 2.513 2.743 178 HB2 LEU 28 1HB LEU 28 -2.409 1.172 1.742 179 HB3 LEU 28 2HB LEU 28 -3.431 2.527 1.268 180 HG LEU 28 HG LEU 28 -1.671 3.059 -0.482 181 HD11 LEU 28 1HD1 LEU 28 -0.207 1.156 0.861 182 HD12 LEU 28 2HD1 LEU 28 0.144 1.793 -0.745 183 HD13 LEU 28 3HD1 LEU 28 -0.770 0.295 -0.571 184 HD21 LEU 28 3HD2 LEU 28 -2.466 0.622 -1.580 185 HD22 LEU 28 1HD2 LEU 28 -3.293 2.174 -1.714 186 HD23 LEU 28 2HD2 LEU 28 -3.736 1.048 -0.431 187 H LEU 29 H LEU 29 -2.737 5.207 1.431 188 HA LEU 29 HA LEU 29 -1.024 6.042 -0.581 189 HB2 LEU 29 1HB LEU 29 -2.879 7.560 1.228 190 HB3 LEU 29 2HB LEU 29 -1.958 8.360 -0.044 191 HG LEU 29 HG LEU 29 -3.891 6.105 -0.555 192 HD11 LEU 29 1HD1 LEU 29 -4.389 8.902 0.030 193 HD12 LEU 29 2HD1 LEU 29 -5.519 7.556 -0.114 194 HD13 LEU 29 3HD1 LEU 29 -4.998 8.427 -1.556 195 HD21 LEU 29 3HD2 LEU 29 -3.586 6.513 -2.799 196 HD22 LEU 29 1HD2 LEU 29 -1.963 6.805 -2.173 197 HD23 LEU 29 2HD2 LEU 29 -3.026 8.165 -2.534 198 H LYS 30 H LYS 30 -1.173 7.393 2.720 199 HA LYS 30 HA LYS 30 0.933 9.087 2.709 200 HB2 LYS 30 1HB LYS 30 0.297 7.126 4.922 201 HB3 LYS 30 2HB LYS 30 1.253 8.592 5.101 202 HG2 LYS 30 1HG LYS 30 -0.822 9.827 4.258 203 HG3 LYS 30 2HG LYS 30 -1.686 8.322 4.584 204 HD2 LYS 30 1HD LYS 30 -1.131 8.411 6.897 205 HD3 LYS 30 2HD LYS 30 0.014 9.729 6.636 206 HE2 LYS 30 1HE LYS 30 -2.919 9.993 6.027 207 HE3 LYS 30 2HE LYS 30 -2.252 10.341 7.621 208 HZ1 LYS 30 3HZ LYS 30 -0.685 11.670 5.735 209 HZ2 LYS 30 1HZ LYS 30 -1.712 12.346 6.898 210 HZ3 LYS 30 2HZ LYS 30 -2.301 11.992 5.352 211 H HIS 31 H HIS 31 1.096 5.589 2.724 212 HA HIS 31 HA HIS 31 3.935 5.497 3.186 213 HB2 HIS 31 1HB HIS 31 2.915 3.561 3.944 214 HB3 HIS 31 2HB HIS 31 1.807 3.485 2.577 215 HD1 HIS 31 HD1 HIS 31 5.522 3.021 3.247 216 HD2 HIS 31 HD2 HIS 31 2.530 1.673 0.699 217 HE1 HIS 31 HE1 HIS 31 6.592 1.231 1.842 218 H GLN 32 H GLN 32 1.787 5.418 0.411 219 HA GLN 32 HA GLN 32 3.526 4.528 -1.557 220 HB2 GLN 32 1HB GLN 32 1.187 6.406 -1.594 221 HB3 GLN 32 2HB GLN 32 2.118 6.122 -3.058 222 HG2 GLN 32 1HG GLN 32 1.620 3.767 -2.970 223 HG3 GLN 32 2HG GLN 32 0.792 3.969 -1.427 224 HE21 GLN 32 1HE2 GLN 32 -0.944 2.896 -2.656 225 HE22 GLN 32 2HE2 GLN 32 -2.017 3.882 -3.584 226 H ARG 33 H ARG 33 3.389 7.592 0.077 227 HA ARG 33 HA ARG 33 4.623 9.341 -1.604 228 HB2 ARG 33 1HB ARG 33 4.955 8.931 1.359 229 HB3 ARG 33 2HB ARG 33 5.777 10.235 0.513 230 HG2 ARG 33 1HG ARG 33 3.525 10.717 1.658 231 HG3 ARG 33 2HG ARG 33 3.804 11.345 0.032 232 HD2 ARG 33 1HD ARG 33 2.630 9.329 -0.861 233 HD3 ARG 33 2HD ARG 33 2.226 8.895 0.799 234 HE ARG 33 HE ARG 33 1.258 11.378 0.649 235 HH11 ARG 33 1HH1 ARG 33 0.970 8.670 -1.520 236 HH12 ARG 33 2HH1 ARG 33 -0.590 9.141 -2.109 237 HH21 ARG 33 1HH2 ARG 33 -0.796 12.008 -0.119 238 HH22 ARG 33 2HH2 ARG 33 -1.593 11.040 -1.312 239 H VAL 34 H VAL 34 6.228 6.892 0.405 240 HA VAL 34 HA VAL 34 8.870 7.493 -0.136 241 HB VAL 34 HB VAL 34 9.418 5.205 0.401 242 HG11 VAL 34 1HG1 VAL 34 7.409 6.686 1.957 243 HG12 VAL 34 2HG1 VAL 34 7.607 4.989 2.397 244 HG13 VAL 34 3HG1 VAL 34 8.994 6.078 2.433 245 HG21 VAL 34 3HG2 VAL 34 7.099 3.827 0.845 246 HG22 VAL 34 1HG2 VAL 34 6.730 4.707 -0.638 247 HG23 VAL 34 2HG2 VAL 34 8.135 3.643 -0.570 248 H HIS 35 H HIS 35 6.517 5.848 -2.140 249 HA HIS 35 HA HIS 35 8.507 5.088 -4.111 250 HB2 HIS 35 1HB HIS 35 5.492 4.847 -4.209 251 HB3 HIS 35 2HB HIS 35 6.627 4.104 -5.332 252 HD1 HIS 35 HD1 HIS 35 8.521 2.559 -3.831 253 HD2 HIS 35 HD2 HIS 35 4.646 3.036 -2.409 254 HE1 HIS 35 HE1 HIS 35 8.156 0.660 -2.222 255 H SER 36 H SER 36 7.969 7.938 -3.461 256 HA SER 36 HA SER 36 6.487 9.264 -5.383 257 HB2 SER 36 1HB SER 36 7.845 11.215 -4.908 258 HB3 SER 36 2HB SER 36 7.577 10.330 -3.407 259 HG SER 36 HG SER 36 9.653 10.161 -3.240 260 H GLY 37 H GLY 37 7.142 10.405 -7.314 261 HA2 GLY 37 1HA GLY 37 9.490 10.263 -8.694 262 HA3 GLY 37 2HA GLY 37 8.709 8.729 -9.048 263 H GLU 38 H GLU 38 8.501 12.209 -9.401 264 HA GLU 38 HA GLU 38 6.080 12.287 -10.852 265 HB2 GLU 38 1HB GLU 38 7.082 14.510 -11.709 266 HB3 GLU 38 2HB GLU 38 6.741 14.349 -9.992 267 HG2 GLU 38 1HG GLU 38 8.942 14.321 -9.409 268 HG3 GLU 38 2HG GLU 38 9.455 13.625 -10.945 269 H LYS 39 H LYS 39 6.086 10.704 -12.439 270 HA LYS 39 HA LYS 39 8.145 10.309 -14.321 271 HB2 LYS 39 1HB LYS 39 5.211 9.624 -14.325 272 HB3 LYS 39 2HB LYS 39 6.264 9.214 -15.673 273 HG2 LYS 39 1HG LYS 39 7.674 7.898 -14.164 274 HG3 LYS 39 2HG LYS 39 6.596 8.296 -12.823 275 HD2 LYS 39 1HD LYS 39 5.820 6.215 -13.473 276 HD3 LYS 39 2HD LYS 39 4.748 7.303 -14.357 277 HE2 LYS 39 1HE LYS 39 7.279 6.320 -15.614 278 HE3 LYS 39 2HE LYS 39 5.844 5.297 -15.591 279 HZ1 LYS 39 3HZ LYS 39 4.995 7.783 -16.438 280 HZ2 LYS 39 1HZ LYS 39 5.164 6.386 -17.379 281 HZ3 LYS 39 2HZ LYS 39 6.437 7.495 -17.275 282 HA PRO 40 HA PRO 40 7.648 13.647 -17.137 283 HB2 PRO 40 1HB PRO 40 8.537 12.477 -19.420 284 HB3 PRO 40 2HB PRO 40 9.613 12.947 -18.099 285 HG2 PRO 40 1HG PRO 40 8.486 10.253 -18.755 286 HG3 PRO 40 2HG PRO 40 10.132 10.686 -18.259 287 HD2 PRO 40 1HD PRO 40 8.317 9.648 -16.538 288 HD3 PRO 40 2HD PRO 40 9.563 10.806 -16.028 289 H SER 41 H SER 41 5.679 10.996 -17.116 290 HA SER 41 HA SER 41 4.391 10.741 -19.482 291 HB2 SER 41 1HB SER 41 3.843 9.819 -17.057 292 HB3 SER 41 2HB SER 41 2.651 11.118 -17.082 293 HG SER 41 HG SER 41 2.271 10.051 -19.341 294 H GLY 42 H GLY 42 2.381 11.670 -20.328 295 HA2 GLY 42 1HA GLY 42 2.548 14.355 -20.899 296 HA3 GLY 42 2HA GLY 42 1.059 13.428 -20.999 297 HA PRO 43 HA PRO 43 -0.631 15.968 -17.845 298 HB2 PRO 43 1HB PRO 43 -2.517 14.288 -16.851 299 HB3 PRO 43 2HB PRO 43 -2.672 15.086 -18.420 300 HG2 PRO 43 1HG PRO 43 -1.790 12.295 -17.793 301 HG3 PRO 43 2HG PRO 43 -2.877 12.863 -19.073 302 HD2 PRO 43 1HD PRO 43 -0.280 12.250 -19.534 303 HD3 PRO 43 2HD PRO 43 -1.137 13.518 -20.435 304 H SER 44 H SER 44 -1.056 16.037 -15.498 305 HA SER 44 HA SER 44 -0.107 14.010 -13.757 306 HB2 SER 44 1HB SER 44 1.925 15.043 -12.941 307 HB3 SER 44 2HB SER 44 2.068 14.823 -14.685 308 HG SER 44 HG SER 44 1.946 16.942 -14.985 309 H SER 45 H SER 45 -0.751 14.375 -11.684 310 HA SER 45 HA SER 45 -1.804 17.050 -11.048 311 HB2 SER 45 1HB SER 45 -3.563 15.259 -11.638 312 HB3 SER 45 2HB SER 45 -3.141 14.526 -10.091 313 HG SER 45 HG SER 45 -4.530 16.856 -10.634 314 H GLY 46 H GLY 46 0.731 16.277 -10.317 315 HA2 GLY 46 1HA GLY 46 2.117 15.840 -8.516 316 HA3 GLY 46 2HA GLY 46 0.982 16.906 -7.700 Start of MODEL 20 1 H1 GLY 1 1H GLY 1 10.130 -27.127 9.280 2 HA2 GLY 1 1HA GLY 1 9.195 -26.348 11.228 3 HA3 GLY 1 2HA GLY 1 10.529 -27.116 12.076 4 H SER 2 H SER 2 9.078 -24.392 12.172 5 HA SER 2 HA SER 2 11.425 -22.884 12.864 6 HB2 SER 2 1HB SER 2 9.664 -21.874 10.618 7 HB3 SER 2 2HB SER 2 11.007 -21.000 11.353 8 HG SER 2 HG SER 2 12.305 -22.051 10.093 9 H SER 3 H SER 3 10.777 -22.299 14.834 10 HA SER 3 HA SER 3 8.056 -21.771 15.503 11 HB2 SER 3 1HB SER 3 10.669 -21.680 16.938 12 HB3 SER 3 2HB SER 3 9.314 -20.796 17.639 13 HG SER 3 HG SER 3 9.090 -23.496 16.831 14 H GLY 4 H GLY 4 6.946 -19.927 15.395 15 HA2 GLY 4 1HA GLY 4 7.081 -17.477 15.949 16 HA3 GLY 4 2HA GLY 4 8.463 -17.447 14.863 17 H SER 5 H SER 5 5.031 -18.401 14.892 18 HA SER 5 HA SER 5 4.588 -18.430 12.164 19 HB2 SER 5 1HB SER 5 2.208 -17.981 12.710 20 HB3 SER 5 2HB SER 5 2.915 -19.218 13.749 21 HG SER 5 HG SER 5 2.901 -16.514 14.539 22 H SER 6 H SER 6 3.017 -16.781 11.073 23 HA SER 6 HA SER 6 4.183 -14.099 11.440 24 HB2 SER 6 1HB SER 6 4.868 -14.931 9.311 25 HB3 SER 6 2HB SER 6 3.246 -15.516 8.941 26 HG SER 6 HG SER 6 4.183 -12.853 9.040 27 H GLY 7 H GLY 7 1.238 -15.740 10.270 28 HA2 GLY 7 1HA GLY 7 -0.932 -14.932 10.116 29 HA3 GLY 7 2HA GLY 7 -0.657 -14.643 11.828 30 H THR 8 H THR 8 -0.705 -13.207 8.641 31 HA THR 8 HA THR 8 -0.467 -10.534 9.841 32 HB THR 8 HB THR 8 1.119 -10.816 8.074 33 HG1 THR 8 HG1 THR 8 0.611 -8.970 7.130 34 HG21 THR 8 3HG2 THR 8 0.340 -12.653 6.834 35 HG22 THR 8 1HG2 THR 8 0.232 -11.293 5.718 36 HG23 THR 8 2HG2 THR 8 -1.220 -11.893 6.521 37 H GLY 9 H GLY 9 -2.656 -12.702 8.307 38 HA2 GLY 9 1HA GLY 9 -4.976 -12.494 8.214 39 HA3 GLY 9 2HA GLY 9 -4.818 -10.805 8.674 40 H GLU 10 H GLU 10 -6.455 -10.442 7.022 41 HA GLU 10 HA GLU 10 -5.255 -10.297 4.335 42 HB2 GLU 10 1HB GLU 10 -7.986 -11.168 5.188 43 HB3 GLU 10 2HB GLU 10 -7.790 -10.375 3.631 44 HG2 GLU 10 1HG GLU 10 -6.403 -12.080 2.813 45 HG3 GLU 10 2HG GLU 10 -6.139 -12.749 4.422 46 H LYS 11 H LYS 11 -5.531 -8.421 3.191 47 HA LYS 11 HA LYS 11 -7.101 -6.277 4.441 48 HB2 LYS 11 1HB LYS 11 -4.249 -6.060 3.465 49 HB3 LYS 11 2HB LYS 11 -5.258 -4.681 3.881 50 HG2 LYS 11 1HG LYS 11 -5.195 -5.140 6.134 51 HG3 LYS 11 2HG LYS 11 -4.843 -6.851 5.884 52 HD2 LYS 11 1HD LYS 11 -2.589 -6.415 5.353 53 HD3 LYS 11 2HD LYS 11 -2.892 -4.690 5.133 54 HE2 LYS 11 1HE LYS 11 -3.466 -5.890 7.792 55 HE3 LYS 11 2HE LYS 11 -1.779 -5.649 7.337 56 HZ1 LYS 11 3HZ LYS 11 -2.161 -3.332 7.048 57 HZ2 LYS 11 1HZ LYS 11 -2.792 -3.760 8.558 58 HZ3 LYS 11 2HZ LYS 11 -3.831 -3.508 7.248 59 HA PRO 12 HA PRO 12 -8.632 -5.690 0.353 60 HB2 PRO 12 1HB PRO 12 -9.577 -3.159 0.620 61 HB3 PRO 12 2HB PRO 12 -10.379 -4.564 1.333 62 HG2 PRO 12 1HG PRO 12 -8.547 -2.574 2.617 63 HG3 PRO 12 2HG PRO 12 -10.054 -3.272 3.239 64 HD2 PRO 12 1HD PRO 12 -7.613 -4.152 4.012 65 HD3 PRO 12 2HD PRO 12 -9.023 -5.224 3.903 66 H TYR 13 H TYR 13 -6.492 -3.273 1.781 67 HA TYR 13 HA TYR 13 -5.709 -2.374 -0.900 68 HB2 TYR 13 1HB TYR 13 -4.915 -1.147 1.742 69 HB3 TYR 13 2HB TYR 13 -4.777 -0.429 0.141 70 HD1 TYR 13 HD2 TYR 13 -6.781 0.395 -1.027 71 HD2 TYR 13 HD1 TYR 13 -6.996 -1.122 2.942 72 HE1 TYR 13 HE2 TYR 13 -8.991 1.440 -0.754 73 HE2 TYR 13 HE1 TYR 13 -9.207 -0.083 3.226 74 HH TYR 13 HH TYR 13 -10.727 1.287 2.333 75 H ASN 14 H ASN 14 -3.749 -2.791 -1.731 76 HA ASN 14 HA ASN 14 -1.590 -3.702 0.004 77 HB2 ASN 14 1HB ASN 14 -1.145 -5.671 -1.435 78 HB3 ASN 14 2HB ASN 14 -2.697 -5.779 -0.609 79 HD21 ASN 14 1HD2 ASN 14 -1.178 -6.234 -3.474 80 HD22 ASN 14 2HD2 ASN 14 -2.531 -6.133 -4.543 81 H CYS 15 H CYS 15 0.158 -2.588 -0.527 82 HA CYS 15 HA CYS 15 0.340 -1.004 -2.860 83 HB2 CYS 15 1HB CYS 15 1.489 -0.459 -0.736 84 HB3 CYS 15 2HB CYS 15 2.551 -1.844 -0.973 85 H LYS 16 H LYS 16 1.312 -1.328 -4.790 86 HA LYS 16 HA LYS 16 2.204 -4.052 -5.372 87 HB2 LYS 16 1HB LYS 16 0.443 -2.937 -6.777 88 HB3 LYS 16 2HB LYS 16 1.673 -1.799 -7.314 89 HG2 LYS 16 1HG LYS 16 1.575 -3.382 -9.015 90 HG3 LYS 16 2HG LYS 16 2.988 -3.859 -8.069 91 HD2 LYS 16 1HD LYS 16 1.969 -5.892 -8.266 92 HD3 LYS 16 2HD LYS 16 1.179 -5.319 -6.795 93 HE2 LYS 16 1HE LYS 16 -0.013 -4.746 -9.480 94 HE3 LYS 16 2HE LYS 16 -0.257 -6.315 -8.714 95 HZ1 LYS 16 3HZ LYS 16 -1.000 -4.938 -6.706 96 HZ2 LYS 16 1HZ LYS 16 -2.063 -5.069 -8.015 97 HZ3 LYS 16 2HZ LYS 16 -1.157 -3.657 -7.801 98 H GLU 17 H GLU 17 3.365 -0.778 -5.186 99 HA GLU 17 HA GLU 17 5.668 -0.876 -6.705 100 HB2 GLU 17 1HB GLU 17 4.965 0.574 -4.174 101 HB3 GLU 17 2HB GLU 17 6.584 0.706 -4.848 102 HG2 GLU 17 1HG GLU 17 3.985 1.597 -6.039 103 HG3 GLU 17 2HG GLU 17 5.420 2.553 -5.678 104 H CYS 18 H CYS 18 5.479 -1.526 -3.200 105 HA CYS 18 HA CYS 18 7.983 -3.041 -3.413 106 HB2 CYS 18 1HB CYS 18 8.035 -2.855 -0.927 107 HB3 CYS 18 2HB CYS 18 8.050 -1.296 -1.746 108 H GLY 19 H GLY 19 4.659 -3.275 -2.227 109 HA2 GLY 19 1HA GLY 19 3.488 -5.383 -2.589 110 HA3 GLY 19 2HA GLY 19 4.989 -6.209 -2.197 111 H LYS 20 H LYS 20 3.151 -3.608 -0.600 112 HA LYS 20 HA LYS 20 3.275 -5.187 1.880 113 HB2 LYS 20 1HB LYS 20 3.388 -2.269 1.303 114 HB3 LYS 20 2HB LYS 20 2.612 -2.771 2.799 115 HG2 LYS 20 1HG LYS 20 4.690 -4.060 3.339 116 HG3 LYS 20 2HG LYS 20 5.445 -3.295 1.938 117 HD2 LYS 20 1HD LYS 20 6.076 -1.971 3.779 118 HD3 LYS 20 2HD LYS 20 4.776 -1.074 2.991 119 HE2 LYS 20 1HE LYS 20 4.352 -1.000 5.326 120 HE3 LYS 20 2HE LYS 20 3.193 -2.132 4.631 121 HZ1 LYS 20 3HZ LYS 20 5.606 -2.733 6.230 122 HZ2 LYS 20 1HZ LYS 20 4.861 -3.912 5.272 123 HZ3 LYS 20 2HZ LYS 20 4.003 -3.182 6.534 124 H SER 21 H SER 21 1.383 -4.263 3.426 125 HA SER 21 HA SER 21 -1.125 -4.302 1.894 126 HB2 SER 21 1HB SER 21 -2.108 -5.874 3.487 127 HB3 SER 21 2HB SER 21 -0.672 -6.580 2.747 128 HG SER 21 HG SER 21 -0.618 -5.232 5.237 129 H PHE 22 H PHE 22 -2.944 -3.381 2.979 130 HA PHE 22 HA PHE 22 -2.488 -1.967 5.471 131 HB2 PHE 22 1HB PHE 22 -3.111 -0.498 2.901 132 HB3 PHE 22 2HB PHE 22 -3.173 0.220 4.507 133 HD1 PHE 22 HD1 PHE 22 -1.127 0.632 5.766 134 HD2 PHE 22 HD2 PHE 22 -1.023 -0.939 1.812 135 HE1 PHE 22 HE1 PHE 22 1.264 1.192 5.611 136 HE2 PHE 22 HE2 PHE 22 1.368 -0.382 1.650 137 HZ PHE 22 HZ PHE 22 2.515 0.684 3.551 138 H ARG 23 H ARG 23 -4.343 -1.595 6.602 139 HA ARG 23 HA ARG 23 -6.688 -2.994 5.773 140 HB2 ARG 23 1HB ARG 23 -5.920 -1.367 8.166 141 HB3 ARG 23 2HB ARG 23 -7.610 -1.779 7.909 142 HG2 ARG 23 1HG ARG 23 -7.279 -3.997 8.316 143 HG3 ARG 23 2HG ARG 23 -5.604 -3.961 7.761 144 HD2 ARG 23 1HD ARG 23 -5.674 -4.298 10.157 145 HD3 ARG 23 2HD ARG 23 -4.980 -2.719 9.791 146 HE ARG 23 HE ARG 23 -6.794 -1.713 10.791 147 HH11 ARG 23 1HH1 ARG 23 -7.397 -5.119 10.394 148 HH12 ARG 23 2HH1 ARG 23 -8.819 -5.115 11.384 149 HH21 ARG 23 1HH2 ARG 23 -8.664 -1.696 12.097 150 HH22 ARG 23 2HH2 ARG 23 -9.539 -3.168 12.351 151 H TRP 24 H TRP 24 -6.035 0.448 6.432 152 HA TRP 24 HA TRP 24 -8.524 1.167 5.086 153 HB2 TRP 24 1HB TRP 24 -6.536 2.801 6.673 154 HB3 TRP 24 2HB TRP 24 -7.956 3.483 5.883 155 HD1 TRP 24 HD1 TRP 24 -6.905 2.299 9.144 156 HE1 TRP 24 HE1 TRP 24 -8.920 1.719 10.637 157 HE3 TRP 24 HE3 TRP 24 -10.555 2.169 5.567 158 HZ2 TRP 24 HZ2 TRP 24 -11.690 1.265 10.338 159 HZ3 TRP 24 HZ3 TRP 24 -12.861 1.654 6.253 160 HH2 TRP 24 HH2 TRP 24 -13.415 1.211 8.590 161 H ALA 25 H ALA 25 -8.319 3.284 3.737 162 HA ALA 25 HA ALA 25 -6.544 2.676 1.551 163 HB1 ALA 25 3HB ALA 25 -8.763 4.617 2.002 164 HB2 ALA 25 1HB ALA 25 -7.645 4.877 0.664 165 HB3 ALA 25 2HB ALA 25 -8.581 3.384 0.754 166 H SER 26 H SER 26 -7.141 5.718 3.323 167 HA SER 26 HA SER 26 -5.110 7.264 2.511 168 HB2 SER 26 1HB SER 26 -5.003 8.224 4.822 169 HB3 SER 26 2HB SER 26 -6.645 8.045 4.206 170 HG SER 26 HG SER 26 -6.626 7.242 6.272 171 H CYS 27 H CYS 27 -4.733 5.043 5.280 172 HA CYS 27 HA CYS 27 -2.134 5.288 5.890 173 HB2 CYS 27 1HB CYS 27 -3.658 2.700 5.554 174 HB3 CYS 27 2HB CYS 27 -2.092 2.815 6.347 175 HG CYS 27 HG CYS 27 -3.310 4.851 8.156 176 H LEU 28 H LEU 28 -3.334 3.317 3.185 177 HA LEU 28 HA LEU 28 -0.794 2.494 2.273 178 HB2 LEU 28 1HB LEU 28 -2.594 1.222 1.518 179 HB3 LEU 28 2HB LEU 28 -3.513 2.645 1.029 180 HG LEU 28 HG LEU 28 -1.978 2.967 -0.864 181 HD11 LEU 28 1HD1 LEU 28 -0.496 0.874 0.535 182 HD12 LEU 28 2HD1 LEU 28 0.062 2.087 -0.617 183 HD13 LEU 28 3HD1 LEU 28 -0.672 0.593 -1.197 184 HD21 LEU 28 3HD2 LEU 28 -4.058 1.601 -1.046 185 HD22 LEU 28 1HD2 LEU 28 -3.072 0.160 -0.797 186 HD23 LEU 28 2HD2 LEU 28 -2.807 1.175 -2.214 187 H LEU 29 H LEU 29 -2.919 5.153 1.260 188 HA LEU 29 HA LEU 29 -1.464 6.145 -0.862 189 HB2 LEU 29 1HB LEU 29 -3.717 6.899 0.286 190 HB3 LEU 29 2HB LEU 29 -2.659 8.074 1.064 191 HG LEU 29 HG LEU 29 -2.876 7.764 -1.925 192 HD11 LEU 29 1HD1 LEU 29 -4.760 8.933 -1.948 193 HD12 LEU 29 2HD1 LEU 29 -4.075 10.156 -0.878 194 HD13 LEU 29 3HD1 LEU 29 -4.854 8.727 -0.198 195 HD21 LEU 29 3HD2 LEU 29 -0.894 8.878 -1.503 196 HD22 LEU 29 1HD2 LEU 29 -1.528 9.677 -0.064 197 HD23 LEU 29 2HD2 LEU 29 -2.040 10.209 -1.666 198 H LYS 30 H LYS 30 -1.220 7.219 2.532 199 HA LYS 30 HA LYS 30 0.902 8.976 2.231 200 HB2 LYS 30 1HB LYS 30 -0.573 8.469 4.297 201 HB3 LYS 30 2HB LYS 30 0.625 7.236 4.666 202 HG2 LYS 30 1HG LYS 30 1.477 10.052 4.149 203 HG3 LYS 30 2HG LYS 30 0.842 9.582 5.727 204 HD2 LYS 30 1HD LYS 30 3.085 8.100 4.375 205 HD3 LYS 30 2HD LYS 30 3.363 9.480 5.440 206 HE2 LYS 30 1HE LYS 30 1.904 6.951 6.199 207 HE3 LYS 30 2HE LYS 30 3.576 7.326 6.614 208 HZ1 LYS 30 3HZ LYS 30 2.349 9.487 7.545 209 HZ2 LYS 30 1HZ LYS 30 2.613 8.101 8.478 210 HZ3 LYS 30 2HZ LYS 30 1.108 8.356 7.749 211 H HIS 31 H HIS 31 0.956 5.485 2.812 212 HA HIS 31 HA HIS 31 3.705 5.170 3.181 213 HB2 HIS 31 1HB HIS 31 2.449 3.280 3.706 214 HB3 HIS 31 2HB HIS 31 1.522 3.358 2.211 215 HD1 HIS 31 HD1 HIS 31 5.126 2.682 3.240 216 HD2 HIS 31 HD2 HIS 31 2.332 1.542 0.384 217 HE1 HIS 31 HE1 HIS 31 6.249 0.890 1.878 218 H GLN 32 H GLN 32 1.777 5.173 0.211 219 HA GLN 32 HA GLN 32 3.734 4.433 -1.607 220 HB2 GLN 32 1HB GLN 32 1.433 6.362 -1.938 221 HB3 GLN 32 2HB GLN 32 2.405 5.758 -3.272 222 HG2 GLN 32 1HG GLN 32 1.744 3.430 -2.483 223 HG3 GLN 32 2HG GLN 32 0.532 4.241 -1.492 224 HE21 GLN 32 1HE2 GLN 32 -1.367 3.979 -2.418 225 HE22 GLN 32 2HE2 GLN 32 -1.719 4.198 -4.095 226 H ARG 33 H ARG 33 3.368 7.380 0.155 227 HA ARG 33 HA ARG 33 4.616 9.268 -1.382 228 HB2 ARG 33 1HB ARG 33 4.969 8.803 1.584 229 HB3 ARG 33 2HB ARG 33 5.410 10.280 0.739 230 HG2 ARG 33 1HG ARG 33 2.613 9.200 0.693 231 HG3 ARG 33 2HG ARG 33 3.194 10.259 1.979 232 HD2 ARG 33 1HD ARG 33 3.987 11.706 -0.102 233 HD3 ARG 33 2HD ARG 33 2.658 10.848 -0.881 234 HE ARG 33 HE ARG 33 1.504 11.754 1.365 235 HH11 ARG 33 1HH1 ARG 33 3.477 13.321 -1.038 236 HH12 ARG 33 2HH1 ARG 33 2.731 14.870 -0.829 237 HH21 ARG 33 1HH2 ARG 33 0.513 13.789 1.649 238 HH22 ARG 33 2HH2 ARG 33 1.046 15.136 0.701 239 H VAL 34 H VAL 34 6.059 6.545 0.270 240 HA VAL 34 HA VAL 34 8.754 7.341 0.145 241 HB VAL 34 HB VAL 34 9.308 4.966 0.404 242 HG11 VAL 34 1HG1 VAL 34 7.130 6.148 2.086 243 HG12 VAL 34 2HG1 VAL 34 7.793 4.554 2.455 244 HG13 VAL 34 3HG1 VAL 34 8.847 5.970 2.449 245 HG21 VAL 34 3HG2 VAL 34 7.907 3.677 -0.858 246 HG22 VAL 34 1HG2 VAL 34 7.131 3.493 0.715 247 HG23 VAL 34 2HG2 VAL 34 6.482 4.638 -0.460 248 H HIS 35 H HIS 35 6.688 5.635 -2.154 249 HA HIS 35 HA HIS 35 8.861 5.276 -4.035 250 HB2 HIS 35 1HB HIS 35 5.931 4.800 -4.566 251 HB3 HIS 35 2HB HIS 35 7.314 4.070 -5.376 252 HD1 HIS 35 HD1 HIS 35 8.907 2.722 -3.393 253 HD2 HIS 35 HD2 HIS 35 4.789 3.005 -2.920 254 HE1 HIS 35 HE1 HIS 35 8.284 0.875 -1.804 255 H SER 36 H SER 36 6.161 7.434 -3.526 256 HA SER 36 HA SER 36 5.765 8.603 -5.952 257 HB2 SER 36 1HB SER 36 4.894 10.459 -4.828 258 HB3 SER 36 2HB SER 36 4.774 9.185 -3.615 259 HG SER 36 HG SER 36 5.925 11.457 -3.284 260 H GLY 37 H GLY 37 8.421 9.274 -3.702 261 HA2 GLY 37 1HA GLY 37 9.645 11.043 -5.701 262 HA3 GLY 37 2HA GLY 37 10.111 10.926 -4.011 263 H GLU 38 H GLU 38 11.433 10.536 -6.810 264 HA GLU 38 HA GLU 38 12.892 8.099 -6.035 265 HB2 GLU 38 1HB GLU 38 11.489 7.585 -7.958 266 HB3 GLU 38 2HB GLU 38 12.139 8.967 -8.830 267 HG2 GLU 38 1HG GLU 38 13.142 6.914 -9.617 268 HG3 GLU 38 2HG GLU 38 14.349 7.930 -8.831 269 H LYS 39 H LYS 39 14.800 8.799 -5.320 270 HA LYS 39 HA LYS 39 16.198 10.872 -6.880 271 HB2 LYS 39 1HB LYS 39 16.293 10.226 -3.936 272 HB3 LYS 39 2HB LYS 39 17.502 11.232 -4.722 273 HG2 LYS 39 1HG LYS 39 16.095 12.849 -3.974 274 HG3 LYS 39 2HG LYS 39 15.363 12.540 -5.551 275 HD2 LYS 39 1HD LYS 39 13.625 11.268 -4.616 276 HD3 LYS 39 2HD LYS 39 14.477 11.075 -3.082 277 HE2 LYS 39 1HE LYS 39 13.979 13.221 -2.385 278 HE3 LYS 39 2HE LYS 39 13.731 13.808 -4.029 279 HZ1 LYS 39 3HZ LYS 39 11.820 12.843 -2.211 280 HZ2 LYS 39 1HZ LYS 39 11.844 11.816 -3.556 281 HZ3 LYS 39 2HZ LYS 39 11.575 13.472 -3.762 282 HA PRO 40 HA PRO 40 19.435 8.052 -7.797 283 HB2 PRO 40 1HB PRO 40 21.600 9.689 -7.768 284 HB3 PRO 40 2HB PRO 40 20.385 9.727 -9.050 285 HG2 PRO 40 1HG PRO 40 20.683 11.518 -6.670 286 HG3 PRO 40 2HG PRO 40 20.303 11.943 -8.349 287 HD2 PRO 40 1HD PRO 40 18.406 11.775 -6.425 288 HD3 PRO 40 2HD PRO 40 18.081 11.374 -8.124 289 H SER 41 H SER 41 19.229 6.842 -5.801 290 HA SER 41 HA SER 41 21.658 6.780 -4.315 291 HB2 SER 41 1HB SER 41 19.258 8.073 -3.112 292 HB3 SER 41 2HB SER 41 20.223 7.018 -2.079 293 HG SER 41 HG SER 41 22.045 8.297 -2.622 294 H GLY 42 H GLY 42 21.398 5.153 -2.402 295 HA2 GLY 42 1HA GLY 42 19.380 3.115 -3.028 296 HA3 GLY 42 2HA GLY 42 21.076 2.659 -3.092 297 HA PRO 43 HA PRO 43 20.247 3.729 1.541 298 HB2 PRO 43 1HB PRO 43 17.697 4.353 2.234 299 HB3 PRO 43 2HB PRO 43 18.879 5.566 1.727 300 HG2 PRO 43 1HG PRO 43 16.699 4.266 0.139 301 HG3 PRO 43 2HG PRO 43 17.194 5.968 0.175 302 HD2 PRO 43 1HD PRO 43 17.940 4.275 -1.802 303 HD3 PRO 43 2HD PRO 43 18.970 5.612 -1.251 304 H SER 44 H SER 44 20.543 1.604 2.035 305 HA SER 44 HA SER 44 20.060 -0.508 2.730 306 HB2 SER 44 1HB SER 44 18.539 0.620 4.291 307 HB3 SER 44 2HB SER 44 17.268 0.616 3.069 308 HG SER 44 HG SER 44 16.844 -1.161 4.230 309 H SER 45 H SER 45 20.112 -0.090 -0.013 310 HA SER 45 HA SER 45 17.874 -1.676 -1.058 311 HB2 SER 45 1HB SER 45 18.320 0.430 -2.231 312 HB3 SER 45 2HB SER 45 19.984 -0.074 -2.527 313 HG SER 45 HG SER 45 18.370 -0.424 -4.266 314 H GLY 46 H GLY 46 21.427 -1.514 -1.133 315 HA2 GLY 46 1HA GLY 46 22.156 -4.020 -0.633 316 HA3 GLY 46 2HA GLY 46 21.558 -4.193 -2.276
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