NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
504909 | 2enf | 10174 | 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 H GLY 1 14.540 -28.101 -1.776 2 HA2 GLY 1 1HA GLY 1 13.372 -27.111 -4.019 3 HA3 GLY 1 2HA GLY 1 13.200 -28.849 -4.217 4 H SER 2 H SER 2 12.003 -26.037 -2.692 5 HA SER 2 HA SER 2 10.288 -27.585 -0.891 6 HB2 SER 2 1HB SER 2 9.858 -25.569 0.275 7 HB3 SER 2 2HB SER 2 11.573 -25.503 -0.130 8 HG SER 2 HG SER 2 11.171 -23.752 -1.199 9 H SER 3 H SER 3 7.981 -26.844 -0.728 10 HA SER 3 HA SER 3 6.908 -26.408 -3.436 11 HB2 SER 3 1HB SER 3 5.679 -27.834 -1.065 12 HB3 SER 3 2HB SER 3 4.856 -27.550 -2.598 13 HG SER 3 HG SER 3 5.820 -29.256 -3.323 14 H GLY 4 H GLY 4 4.607 -25.447 -3.358 15 HA2 GLY 4 1HA GLY 4 4.763 -22.827 -2.403 16 HA3 GLY 4 2HA GLY 4 3.285 -23.622 -2.926 17 H SER 5 H SER 5 1.753 -23.939 -1.451 18 HA SER 5 HA SER 5 0.663 -23.775 0.551 19 HB2 SER 5 1HB SER 5 2.977 -25.602 1.024 20 HB3 SER 5 2HB SER 5 2.014 -25.103 2.415 21 HG SER 5 HG SER 5 1.162 -26.992 1.520 22 H SER 6 H SER 6 2.096 -21.479 0.000 23 HA SER 6 HA SER 6 2.885 -20.638 2.706 24 HB2 SER 6 1HB SER 6 4.882 -20.942 1.198 25 HB3 SER 6 2HB SER 6 4.230 -19.658 0.180 26 HG SER 6 HG SER 6 5.735 -18.850 1.693 27 H GLY 7 H GLY 7 1.121 -19.475 3.254 28 HA2 GLY 7 1HA GLY 7 0.461 -17.060 3.087 29 HA3 GLY 7 2HA GLY 7 0.259 -17.369 1.369 30 H THR 8 H THR 8 -1.358 -17.045 4.212 31 HA THR 8 HA THR 8 -3.627 -18.647 3.224 32 HB THR 8 HB THR 8 -2.998 -18.059 6.123 33 HG1 THR 8 HG1 THR 8 -2.607 -20.370 4.513 34 HG21 THR 8 3HG2 THR 8 -5.215 -19.522 4.729 35 HG22 THR 8 1HG2 THR 8 -5.316 -18.307 6.002 36 HG23 THR 8 2HG2 THR 8 -4.756 -19.936 6.380 37 H GLY 9 H GLY 9 -5.134 -17.324 2.448 38 HA2 GLY 9 1HA GLY 9 -6.637 -15.594 2.307 39 HA3 GLY 9 2HA GLY 9 -6.416 -15.380 4.037 40 H GLU 10 H GLU 10 -5.827 -14.100 0.954 41 HA GLU 10 HA GLU 10 -4.072 -12.042 2.124 42 HB2 GLU 10 1HB GLU 10 -2.933 -13.503 0.446 43 HB3 GLU 10 2HB GLU 10 -4.086 -12.948 -0.759 44 HG2 GLU 10 1HG GLU 10 -3.249 -10.746 -0.693 45 HG3 GLU 10 2HG GLU 10 -2.323 -11.064 0.772 46 H LYS 11 H LYS 11 -4.979 -10.107 2.224 47 HA LYS 11 HA LYS 11 -7.511 -9.512 1.161 48 HB2 LYS 11 1HB LYS 11 -5.329 -7.731 2.248 49 HB3 LYS 11 2HB LYS 11 -6.916 -7.132 1.783 50 HG2 LYS 11 1HG LYS 11 -6.696 -9.382 3.731 51 HG3 LYS 11 2HG LYS 11 -6.424 -7.720 4.262 52 HD2 LYS 11 1HD LYS 11 -8.657 -7.180 3.150 53 HD3 LYS 11 2HD LYS 11 -8.913 -8.925 3.081 54 HE2 LYS 11 1HE LYS 11 -8.307 -8.816 5.621 55 HE3 LYS 11 2HE LYS 11 -8.750 -7.117 5.454 56 HZ1 LYS 11 3HZ LYS 11 -10.459 -9.215 5.882 57 HZ2 LYS 11 1HZ LYS 11 -10.680 -8.830 4.249 58 HZ3 LYS 11 2HZ LYS 11 -10.892 -7.642 5.434 59 HA PRO 12 HA PRO 12 -6.747 -8.174 -2.949 60 HB2 PRO 12 1HB PRO 12 -8.583 -6.192 -3.215 61 HB3 PRO 12 2HB PRO 12 -9.019 -7.904 -3.160 62 HG2 PRO 12 1HG PRO 12 -9.110 -5.855 -0.979 63 HG3 PRO 12 2HG PRO 12 -10.301 -7.102 -1.393 64 HD2 PRO 12 1HD PRO 12 -8.545 -7.384 0.649 65 HD3 PRO 12 2HD PRO 12 -9.125 -8.762 -0.309 66 H TYR 13 H TYR 13 -6.189 -6.139 -0.291 67 HA TYR 13 HA TYR 13 -4.745 -4.232 -2.012 68 HB2 TYR 13 1HB TYR 13 -6.163 -3.645 0.595 69 HB3 TYR 13 2HB TYR 13 -5.187 -2.493 -0.309 70 HD1 TYR 13 HD1 TYR 13 -6.083 -3.139 -3.084 71 HD2 TYR 13 HD2 TYR 13 -8.296 -2.674 0.520 72 HE1 TYR 13 HE1 TYR 13 -8.061 -2.484 -4.391 73 HE2 TYR 13 HE2 TYR 13 -10.281 -2.019 -0.777 74 HH TYR 13 HH TYR 13 -10.169 -1.796 -4.321 75 H LYS 14 H LYS 14 -2.722 -5.067 -1.849 76 HA LYS 14 HA LYS 14 -1.542 -5.111 0.847 77 HB2 LYS 14 1HB LYS 14 -1.944 -7.420 -0.072 78 HB3 LYS 14 2HB LYS 14 -0.815 -7.036 -1.365 79 HG2 LYS 14 1HG LYS 14 1.006 -6.932 0.102 80 HG3 LYS 14 2HG LYS 14 -0.036 -6.826 1.523 81 HD2 LYS 14 1HD LYS 14 -0.730 -9.109 1.256 82 HD3 LYS 14 2HD LYS 14 0.111 -9.231 -0.292 83 HE2 LYS 14 1HE LYS 14 1.552 -10.279 1.214 84 HE3 LYS 14 2HE LYS 14 2.228 -8.660 1.038 85 HZ1 LYS 14 3HZ LYS 14 1.343 -9.942 3.378 86 HZ2 LYS 14 1HZ LYS 14 0.384 -8.572 3.121 87 HZ3 LYS 14 2HZ LYS 14 2.066 -8.421 3.218 88 H CYS 15 H CYS 15 0.706 -4.606 0.951 89 HA CYS 15 HA CYS 15 1.511 -2.734 -1.123 90 HB2 CYS 15 1HB CYS 15 1.705 -1.993 1.181 91 HB3 CYS 15 2HB CYS 15 2.712 -3.382 1.575 92 H ASN 16 H ASN 16 3.349 -2.895 -2.364 93 HA ASN 16 HA ASN 16 4.466 -5.586 -2.587 94 HB2 ASN 16 1HB ASN 16 3.537 -4.080 -4.543 95 HB3 ASN 16 2HB ASN 16 5.150 -3.375 -4.484 96 HD21 ASN 16 1HD2 ASN 16 3.718 -6.622 -4.326 97 HD22 ASN 16 2HD2 ASN 16 4.801 -7.338 -5.467 98 H GLU 17 H GLU 17 5.320 -2.379 -1.614 99 HA GLU 17 HA GLU 17 8.100 -2.464 -1.902 100 HB2 GLU 17 1HB GLU 17 6.507 -1.081 0.263 101 HB3 GLU 17 2HB GLU 17 8.165 -0.715 -0.190 102 HG2 GLU 17 1HG GLU 17 5.710 -0.344 -1.888 103 HG3 GLU 17 2HG GLU 17 6.683 0.920 -1.139 104 H CYS 18 H CYS 18 6.202 -3.091 1.056 105 HA CYS 18 HA CYS 18 8.440 -4.742 2.026 106 HB2 CYS 18 1HB CYS 18 7.495 -4.326 4.301 107 HB3 CYS 18 2HB CYS 18 8.053 -2.867 3.489 108 H GLY 19 H GLY 19 4.885 -4.514 2.044 109 HA2 GLY 19 1HA GLY 19 3.716 -6.553 1.236 110 HA3 GLY 19 2HA GLY 19 4.816 -7.462 2.261 111 H LYS 20 H LYS 20 2.219 -5.060 2.319 112 HA LYS 20 HA LYS 20 1.232 -6.268 4.787 113 HB2 LYS 20 1HB LYS 20 2.062 -3.401 4.470 114 HB3 LYS 20 2HB LYS 20 0.776 -3.832 5.589 115 HG2 LYS 20 1HG LYS 20 2.199 -4.995 6.986 116 HG3 LYS 20 2HG LYS 20 3.402 -5.248 5.720 117 HD2 LYS 20 1HD LYS 20 3.850 -2.793 5.755 118 HD3 LYS 20 2HD LYS 20 2.771 -2.667 7.147 119 HE2 LYS 20 1HE LYS 20 5.092 -4.566 7.145 120 HE3 LYS 20 2HE LYS 20 5.306 -2.867 7.563 121 HZ1 LYS 20 3HZ LYS 20 4.242 -3.122 9.515 122 HZ2 LYS 20 1HZ LYS 20 4.693 -4.743 9.336 123 HZ3 LYS 20 2HZ LYS 20 3.133 -4.247 8.910 124 H VAL 21 H VAL 21 -0.983 -6.103 5.071 125 HA VAL 21 HA VAL 21 -2.454 -5.093 2.732 126 HB VAL 21 HB VAL 21 -4.305 -6.577 3.520 127 HG11 VAL 21 1HG1 VAL 21 -1.731 -7.395 2.420 128 HG12 VAL 21 2HG1 VAL 21 -2.638 -8.724 3.145 129 HG13 VAL 21 3HG1 VAL 21 -3.366 -7.752 1.865 130 HG21 VAL 21 3HG2 VAL 21 -2.610 -8.289 5.129 131 HG22 VAL 21 1HG2 VAL 21 -2.812 -6.694 5.854 132 HG23 VAL 21 2HG2 VAL 21 -4.227 -7.670 5.462 133 H PHE 22 H PHE 22 -4.823 -4.516 3.350 134 HA PHE 22 HA PHE 22 -5.117 -3.252 5.934 135 HB2 PHE 22 1HB PHE 22 -5.106 -1.587 3.408 136 HB3 PHE 22 2HB PHE 22 -5.549 -1.008 5.010 137 HD1 PHE 22 HD2 PHE 22 -2.782 -2.141 2.882 138 HD2 PHE 22 HD1 PHE 22 -3.888 -0.501 6.651 139 HE1 PHE 22 HE2 PHE 22 -0.429 -1.575 3.323 140 HE2 PHE 22 HE1 PHE 22 -1.536 0.068 7.097 141 HZ PHE 22 HZ PHE 22 0.197 -0.470 5.433 142 H THR 23 H THR 23 -7.268 -2.600 6.383 143 HA THR 23 HA THR 23 -9.248 -4.226 5.184 144 HB THR 23 HB THR 23 -9.508 -3.612 7.491 145 HG1 THR 23 HG1 THR 23 -11.649 -2.361 7.185 146 HG21 THR 23 3HG2 THR 23 -10.263 -0.837 7.198 147 HG22 THR 23 1HG2 THR 23 -8.601 -1.103 6.672 148 HG23 THR 23 2HG2 THR 23 -9.098 -1.572 8.299 149 H GLN 24 H GLN 24 -8.173 -0.970 4.605 150 HA GLN 24 HA GLN 24 -10.112 -0.770 2.410 151 HB2 GLN 24 1HB GLN 24 -10.641 0.621 4.568 152 HB3 GLN 24 2HB GLN 24 -9.375 1.682 3.964 153 HG2 GLN 24 1HG GLN 24 -10.584 2.125 1.968 154 HG3 GLN 24 2HG GLN 24 -11.763 0.866 2.333 155 HE21 GLN 24 1HE2 GLN 24 -10.394 3.786 3.818 156 HE22 GLN 24 2HE2 GLN 24 -11.896 4.388 4.424 157 H ASN 25 H ASN 25 -9.479 0.909 0.797 158 HA ASN 25 HA ASN 25 -6.753 0.536 0.052 159 HB2 ASN 25 1HB ASN 25 -8.695 0.761 -1.544 160 HB3 ASN 25 2HB ASN 25 -8.722 2.481 -1.163 161 HD21 ASN 25 1HD2 ASN 25 -8.421 2.087 -3.675 162 HD22 ASN 25 2HD2 ASN 25 -6.785 2.250 -4.208 163 H SER 26 H SER 26 -8.641 3.382 1.051 164 HA SER 26 HA SER 26 -6.804 5.374 0.869 165 HB2 SER 26 1HB SER 26 -8.849 4.845 3.024 166 HB3 SER 26 2HB SER 26 -7.884 6.320 2.989 167 HG SER 26 HG SER 26 -9.798 5.411 1.126 168 H HIS 27 H HIS 27 -7.128 3.143 3.623 169 HA HIS 27 HA HIS 27 -5.054 4.142 5.185 170 HB2 HIS 27 1HB HIS 27 -6.403 1.488 4.955 171 HB3 HIS 27 2HB HIS 27 -4.931 1.599 5.914 172 HD1 HIS 27 HD1 HIS 27 -6.505 1.007 7.975 173 HD2 HIS 27 HD2 HIS 27 -7.184 4.698 6.194 174 HE1 HIS 27 HE1 HIS 27 -7.881 2.308 9.629 175 H LEU 28 H LEU 28 -4.957 1.505 2.794 176 HA LEU 28 HA LEU 28 -2.317 0.776 2.987 177 HB2 LEU 28 1HB LEU 28 -3.718 -0.481 1.576 178 HB3 LEU 28 2HB LEU 28 -4.155 0.933 0.619 179 HG LEU 28 HG LEU 28 -1.812 0.983 -0.243 180 HD11 LEU 28 1HD1 LEU 28 -1.498 -1.814 0.752 181 HD12 LEU 28 2HD1 LEU 28 -1.038 -0.458 1.780 182 HD13 LEU 28 3HD1 LEU 28 -0.272 -0.670 0.206 183 HD21 LEU 28 3HD2 LEU 28 -2.382 -1.586 -1.225 184 HD22 LEU 28 1HD2 LEU 28 -2.794 -0.033 -1.953 185 HD23 LEU 28 2HD2 LEU 28 -3.939 -0.832 -0.874 186 H VAL 29 H VAL 29 -3.654 3.312 0.872 187 HA VAL 29 HA VAL 29 -1.322 4.180 -0.319 188 HB VAL 29 HB VAL 29 -3.658 5.887 0.553 189 HG11 VAL 29 1HG1 VAL 29 -1.950 6.551 -1.788 190 HG12 VAL 29 2HG1 VAL 29 -2.865 7.614 -0.717 191 HG13 VAL 29 3HG1 VAL 29 -1.337 6.918 -0.176 192 HG21 VAL 29 3HG2 VAL 29 -3.833 5.491 -2.164 193 HG22 VAL 29 1HG2 VAL 29 -3.298 3.921 -1.565 194 HG23 VAL 29 2HG2 VAL 29 -4.776 4.648 -0.935 195 H ARG 30 H ARG 30 -2.760 5.358 2.719 196 HA ARG 30 HA ARG 30 -0.910 7.299 3.369 197 HB2 ARG 30 1HB ARG 30 -2.284 5.410 5.289 198 HB3 ARG 30 2HB ARG 30 -1.574 6.965 5.700 199 HG2 ARG 30 1HG ARG 30 -3.856 6.608 3.772 200 HG3 ARG 30 2HG ARG 30 -4.046 6.993 5.483 201 HD2 ARG 30 1HD ARG 30 -2.510 8.657 3.491 202 HD3 ARG 30 2HD ARG 30 -4.158 8.985 4.024 203 HE ARG 30 HE ARG 30 -2.294 8.787 6.192 204 HH11 ARG 30 1HH1 ARG 30 -3.617 10.905 3.767 205 HH12 ARG 30 2HH1 ARG 30 -3.269 12.352 4.654 206 HH21 ARG 30 1HH2 ARG 30 -1.831 10.684 7.370 207 HH22 ARG 30 2HH2 ARG 30 -2.252 12.225 6.703 208 H HIS 31 H HIS 31 -0.786 3.827 4.100 209 HA HIS 31 HA HIS 31 1.540 3.783 5.613 210 HB2 HIS 31 1HB HIS 31 0.428 1.752 5.592 211 HB3 HIS 31 2HB HIS 31 0.174 1.789 3.849 212 HD1 HIS 31 HD1 HIS 31 2.914 1.141 6.377 213 HD2 HIS 31 HD2 HIS 31 2.031 0.415 2.383 214 HE1 HIS 31 HE1 HIS 31 4.716 -0.412 5.561 215 H ARG 32 H ARG 32 1.209 3.348 2.092 216 HA ARG 32 HA ARG 32 3.765 2.921 1.318 217 HB2 ARG 32 1HB ARG 32 1.515 4.442 0.104 218 HB3 ARG 32 2HB ARG 32 3.104 4.629 -0.628 219 HG2 ARG 32 1HG ARG 32 3.215 2.409 -1.271 220 HG3 ARG 32 2HG ARG 32 2.006 1.903 -0.088 221 HD2 ARG 32 1HD ARG 32 0.752 1.836 -2.001 222 HD3 ARG 32 2HD ARG 32 0.451 3.496 -1.489 223 HE ARG 32 HE ARG 32 1.972 2.626 -3.792 224 HH11 ARG 32 1HH1 ARG 32 1.213 5.232 -1.613 225 HH12 ARG 32 2HH1 ARG 32 1.708 6.473 -2.717 226 HH21 ARG 32 1HH2 ARG 32 2.626 4.249 -5.254 227 HH22 ARG 32 2HH2 ARG 32 2.511 5.912 -4.788 228 H GLY 33 H GLY 33 2.523 5.807 2.765 229 HA2 GLY 33 1HA GLY 33 4.245 7.782 1.957 230 HA3 GLY 33 2HA GLY 33 3.627 7.648 3.596 231 H ILE 34 H ILE 34 4.928 5.137 4.175 232 HA ILE 34 HA ILE 34 7.411 6.133 5.107 233 HB ILE 34 HB ILE 34 7.829 3.907 5.955 234 HG12 ILE 34 1HG1 ILE 34 5.323 2.908 4.631 235 HG13 ILE 34 2HG1 ILE 34 6.867 2.843 3.788 236 HG21 ILE 34 1HG2 ILE 34 6.239 5.323 7.163 237 HG22 ILE 34 2HG2 ILE 34 4.915 4.629 6.230 238 HG23 ILE 34 3HG2 ILE 34 5.842 3.613 7.333 239 HD11 ILE 34 3HD1 ILE 34 6.620 0.742 4.767 240 HD12 ILE 34 1HD1 ILE 34 7.736 1.600 5.831 241 HD13 ILE 34 2HD1 ILE 34 6.042 1.420 6.289 242 H HIS 35 H HIS 35 6.449 4.371 2.266 243 HA HIS 35 HA HIS 35 9.183 3.702 1.551 244 HB2 HIS 35 1HB HIS 35 6.585 3.292 0.057 245 HB3 HIS 35 2HB HIS 35 8.156 2.692 -0.465 246 HD1 HIS 35 HD1 HIS 35 9.296 0.922 1.249 247 HD2 HIS 35 HD2 HIS 35 5.223 1.605 1.698 248 HE1 HIS 35 HE1 HIS 35 8.435 -1.014 2.603 249 H THR 36 H THR 36 6.580 5.810 0.389 250 HA THR 36 HA THR 36 7.648 6.858 -1.887 251 HB THR 36 HB THR 36 6.434 8.934 -1.439 252 HG1 THR 36 HG1 THR 36 5.919 9.523 0.547 253 HG21 THR 36 3HG2 THR 36 4.250 7.618 -0.496 254 HG22 THR 36 1HG2 THR 36 5.245 6.273 -1.052 255 HG23 THR 36 2HG2 THR 36 4.801 7.562 -2.170 256 H GLY 37 H GLY 37 9.439 7.928 -2.412 257 HA2 GLY 37 1HA GLY 37 11.427 9.059 -2.205 258 HA3 GLY 37 2HA GLY 37 10.570 10.061 -1.044 259 H GLU 38 H GLU 38 10.999 6.642 -0.521 260 HA GLU 38 HA GLU 38 13.140 7.195 1.414 261 HB2 GLU 38 1HB GLU 38 10.591 5.660 1.912 262 HB3 GLU 38 2HB GLU 38 12.006 5.524 2.947 263 HG2 GLU 38 1HG GLU 38 10.515 8.076 2.385 264 HG3 GLU 38 2HG GLU 38 10.320 7.078 3.825 265 H LYS 39 H LYS 39 14.636 6.284 -0.020 266 HA LYS 39 HA LYS 39 15.746 4.642 -1.173 267 HB2 LYS 39 1HB LYS 39 14.910 3.340 1.407 268 HB3 LYS 39 2HB LYS 39 15.900 2.483 0.232 269 HG2 LYS 39 1HG LYS 39 17.609 4.209 0.393 270 HG3 LYS 39 2HG LYS 39 16.611 5.101 1.544 271 HD2 LYS 39 1HD LYS 39 16.974 3.586 3.237 272 HD3 LYS 39 2HD LYS 39 17.292 2.255 2.123 273 HE2 LYS 39 1HE LYS 39 19.419 3.434 1.489 274 HE3 LYS 39 2HE LYS 39 19.112 4.554 2.815 275 HZ1 LYS 39 3HZ LYS 39 19.766 1.682 2.939 276 HZ2 LYS 39 1HZ LYS 39 18.954 2.429 4.222 277 HZ3 LYS 39 2HZ LYS 39 20.486 2.975 3.759 278 HA PRO 40 HA PRO 40 11.718 2.640 -2.623 279 HB2 PRO 40 1HB PRO 40 11.542 3.953 -4.992 280 HB3 PRO 40 2HB PRO 40 10.815 4.562 -3.500 281 HG2 PRO 40 1HG PRO 40 13.397 5.336 -4.803 282 HG3 PRO 40 2HG PRO 40 12.163 6.372 -4.063 283 HD2 PRO 40 1HD PRO 40 14.451 5.690 -2.785 284 HD3 PRO 40 2HD PRO 40 12.922 5.962 -1.925 285 H SER 41 H SER 41 12.741 0.690 -2.963 286 HA SER 41 HA SER 41 14.282 0.453 -5.465 287 HB2 SER 41 1HB SER 41 15.411 -1.509 -4.396 288 HB3 SER 41 2HB SER 41 15.747 0.024 -3.590 289 HG SER 41 HG SER 41 14.124 -2.114 -2.750 290 H GLY 42 H GLY 42 12.503 -0.046 -6.748 291 HA2 GLY 42 1HA GLY 42 10.492 -1.897 -6.121 292 HA3 GLY 42 2HA GLY 42 10.955 -1.414 -7.746 293 HA PRO 43 HA PRO 43 12.286 -5.871 -6.579 294 HB2 PRO 43 1HB PRO 43 10.194 -7.267 -7.601 295 HB3 PRO 43 2HB PRO 43 10.259 -6.727 -5.919 296 HG2 PRO 43 1HG PRO 43 8.833 -5.501 -8.248 297 HG3 PRO 43 2HG PRO 43 8.264 -5.737 -6.585 298 HD2 PRO 43 1HD PRO 43 9.181 -3.354 -7.486 299 HD3 PRO 43 2HD PRO 43 9.386 -3.881 -5.803 300 H SER 44 H SER 44 12.223 -7.782 -8.302 301 HA SER 44 HA SER 44 12.954 -6.552 -10.871 302 HB2 SER 44 1HB SER 44 13.860 -9.108 -9.539 303 HB3 SER 44 2HB SER 44 14.233 -8.717 -11.218 304 HG SER 44 HG SER 44 15.353 -7.770 -8.921 305 H SER 45 H SER 45 11.282 -9.340 -9.457 306 HA SER 45 HA SER 45 10.024 -9.861 -12.061 307 HB2 SER 45 1HB SER 45 11.249 -11.665 -10.567 308 HB3 SER 45 2HB SER 45 9.699 -11.704 -9.726 309 HG SER 45 HG SER 45 10.084 -12.096 -12.513 310 H GLY 46 H GLY 46 7.847 -9.744 -12.346 311 HA2 GLY 46 1HA GLY 46 6.098 -9.378 -10.044 312 HA3 GLY 46 2HA GLY 46 6.227 -8.011 -11.141 Start of MODEL 2 1 H1 GLY 1 H GLY 1 17.715 -13.256 12.973 2 HA2 GLY 1 1HA GLY 1 15.397 -12.590 13.084 3 HA3 GLY 1 2HA GLY 1 15.722 -13.044 11.418 4 H SER 2 H SER 2 13.164 -13.122 12.276 5 HA SER 2 HA SER 2 12.639 -15.998 12.658 6 HB2 SER 2 1HB SER 2 11.165 -13.570 13.649 7 HB3 SER 2 2HB SER 2 10.340 -15.119 13.480 8 HG SER 2 HG SER 2 12.410 -15.812 14.737 9 H SER 3 H SER 3 10.775 -16.871 11.564 10 HA SER 3 HA SER 3 10.253 -15.485 9.022 11 HB2 SER 3 1HB SER 3 9.608 -17.789 8.204 12 HB3 SER 3 2HB SER 3 11.308 -17.600 8.632 13 HG SER 3 HG SER 3 10.831 -19.375 9.717 14 H GLY 4 H GLY 4 8.229 -14.934 8.454 15 HA2 GLY 4 1HA GLY 4 6.178 -14.644 10.250 16 HA3 GLY 4 2HA GLY 4 5.935 -14.744 8.513 17 H SER 5 H SER 5 4.059 -15.662 10.371 18 HA SER 5 HA SER 5 4.216 -18.578 9.967 19 HB2 SER 5 1HB SER 5 2.865 -18.862 11.982 20 HB3 SER 5 2HB SER 5 4.318 -17.936 12.357 21 HG SER 5 HG SER 5 1.720 -16.884 11.901 22 H SER 6 H SER 6 2.147 -19.667 9.660 23 HA SER 6 HA SER 6 0.513 -18.253 7.777 24 HB2 SER 6 1HB SER 6 0.507 -21.052 8.881 25 HB3 SER 6 2HB SER 6 -0.818 -20.475 7.870 26 HG SER 6 HG SER 6 1.140 -21.552 6.866 27 H GLY 7 H GLY 7 -1.129 -16.975 8.286 28 HA2 GLY 7 1HA GLY 7 -3.196 -17.753 10.071 29 HA3 GLY 7 2HA GLY 7 -2.147 -16.568 10.836 30 H THR 8 H THR 8 -1.578 -14.746 9.037 31 HA THR 8 HA THR 8 -4.007 -13.316 8.713 32 HB THR 8 HB THR 8 -2.618 -11.642 7.502 33 HG1 THR 8 HG1 THR 8 -0.803 -13.769 7.594 34 HG21 THR 8 3HG2 THR 8 -1.922 -10.812 9.468 35 HG22 THR 8 1HG2 THR 8 -0.884 -12.201 9.787 36 HG23 THR 8 2HG2 THR 8 -2.603 -12.277 10.175 37 H GLY 9 H GLY 9 -5.471 -13.551 7.163 38 HA2 GLY 9 1HA GLY 9 -5.026 -15.170 4.866 39 HA3 GLY 9 2HA GLY 9 -6.455 -14.199 5.186 40 H GLU 10 H GLU 10 -5.263 -14.528 2.640 41 HA GLU 10 HA GLU 10 -3.649 -12.254 2.009 42 HB2 GLU 10 1HB GLU 10 -3.979 -12.924 -0.323 43 HB3 GLU 10 2HB GLU 10 -3.531 -14.300 0.675 44 HG2 GLU 10 1HG GLU 10 -5.210 -15.222 -0.548 45 HG3 GLU 10 2HG GLU 10 -6.130 -14.624 0.832 46 H LYS 11 H LYS 11 -4.233 -10.409 0.824 47 HA LYS 11 HA LYS 11 -7.105 -9.852 0.593 48 HB2 LYS 11 1HB LYS 11 -5.050 -8.116 1.962 49 HB3 LYS 11 2HB LYS 11 -6.620 -7.518 1.441 50 HG2 LYS 11 1HG LYS 11 -6.282 -9.835 3.326 51 HG3 LYS 11 2HG LYS 11 -6.450 -8.160 3.858 52 HD2 LYS 11 1HD LYS 11 -8.456 -9.408 2.009 53 HD3 LYS 11 2HD LYS 11 -8.560 -9.639 3.756 54 HE2 LYS 11 1HE LYS 11 -8.245 -6.881 2.664 55 HE3 LYS 11 2HE LYS 11 -9.823 -7.661 2.579 56 HZ1 LYS 11 3HZ LYS 11 -9.939 -6.626 4.600 57 HZ2 LYS 11 1HZ LYS 11 -8.293 -6.818 4.938 58 HZ3 LYS 11 2HZ LYS 11 -9.344 -8.135 5.080 59 HA PRO 12 HA PRO 12 -6.119 -8.165 -3.338 60 HB2 PRO 12 1HB PRO 12 -7.995 -6.217 -3.568 61 HB3 PRO 12 2HB PRO 12 -8.380 -7.939 -3.679 62 HG2 PRO 12 1HG PRO 12 -8.676 -6.078 -1.353 63 HG3 PRO 12 2HG PRO 12 -9.798 -7.318 -1.943 64 HD2 PRO 12 1HD PRO 12 -8.169 -7.720 0.182 65 HD3 PRO 12 2HD PRO 12 -8.643 -9.030 -0.919 66 H TYR 13 H TYR 13 -6.266 -6.022 -0.578 67 HA TYR 13 HA TYR 13 -4.679 -4.013 -2.018 68 HB2 TYR 13 1HB TYR 13 -6.442 -3.895 0.406 69 HB3 TYR 13 2HB TYR 13 -5.196 -2.675 0.163 70 HD1 TYR 13 HD2 TYR 13 -7.683 -4.369 -2.065 71 HD2 TYR 13 HD1 TYR 13 -6.067 -0.702 -0.636 72 HE1 TYR 13 HE2 TYR 13 -9.197 -3.128 -3.554 73 HE2 TYR 13 HE1 TYR 13 -7.577 0.549 -2.121 74 HH TYR 13 HH TYR 13 -9.398 -0.977 -4.599 75 H LYS 14 H LYS 14 -2.632 -4.857 -1.918 76 HA LYS 14 HA LYS 14 -1.483 -5.110 0.784 77 HB2 LYS 14 1HB LYS 14 -1.699 -7.299 -0.423 78 HB3 LYS 14 2HB LYS 14 -0.609 -6.672 -1.651 79 HG2 LYS 14 1HG LYS 14 1.209 -6.627 -0.178 80 HG3 LYS 14 2HG LYS 14 0.171 -6.775 1.242 81 HD2 LYS 14 1HD LYS 14 -0.104 -9.031 0.975 82 HD3 LYS 14 2HD LYS 14 0.100 -8.958 -0.777 83 HE2 LYS 14 1HE LYS 14 2.392 -8.366 1.057 84 HE3 LYS 14 2HE LYS 14 1.960 -10.031 0.672 85 HZ1 LYS 14 3HZ LYS 14 2.013 -8.972 -1.760 86 HZ2 LYS 14 1HZ LYS 14 3.369 -9.672 -1.029 87 HZ3 LYS 14 2HZ LYS 14 3.170 -7.993 -1.009 88 H CYS 15 H CYS 15 0.811 -4.601 0.932 89 HA CYS 15 HA CYS 15 1.478 -2.343 -0.782 90 HB2 CYS 15 1HB CYS 15 1.651 -2.096 1.667 91 HB3 CYS 15 2HB CYS 15 2.856 -3.380 1.705 92 H ASN 16 H ASN 16 2.679 -2.631 -2.529 93 HA ASN 16 HA ASN 16 4.249 -5.032 -2.876 94 HB2 ASN 16 1HB ASN 16 2.835 -3.651 -4.642 95 HB3 ASN 16 2HB ASN 16 4.350 -2.772 -4.827 96 HD21 ASN 16 1HD2 ASN 16 3.499 -6.185 -4.346 97 HD22 ASN 16 2HD2 ASN 16 4.397 -6.774 -5.700 98 H GLU 17 H GLU 17 5.167 -3.387 -0.768 99 HA GLU 17 HA GLU 17 7.826 -2.683 -1.808 100 HB2 GLU 17 1HB GLU 17 6.370 -1.140 0.344 101 HB3 GLU 17 2HB GLU 17 7.946 -0.764 -0.338 102 HG2 GLU 17 1HG GLU 17 5.502 -0.860 -2.061 103 HG3 GLU 17 2HG GLU 17 5.909 0.578 -1.126 104 H CYS 18 H CYS 18 5.937 -3.377 1.125 105 HA CYS 18 HA CYS 18 8.306 -4.751 2.214 106 HB2 CYS 18 1HB CYS 18 7.338 -4.267 4.470 107 HB3 CYS 18 2HB CYS 18 7.822 -2.829 3.577 108 H GLY 19 H GLY 19 4.746 -4.734 2.225 109 HA2 GLY 19 1HA GLY 19 3.756 -6.927 1.520 110 HA3 GLY 19 2HA GLY 19 4.845 -7.651 2.695 111 H LYS 20 H LYS 20 2.464 -4.993 2.633 112 HA LYS 20 HA LYS 20 1.201 -6.193 5.000 113 HB2 LYS 20 1HB LYS 20 2.303 -3.447 4.685 114 HB3 LYS 20 2HB LYS 20 0.790 -3.615 5.566 115 HG2 LYS 20 1HG LYS 20 1.790 -5.004 7.200 116 HG3 LYS 20 2HG LYS 20 3.255 -5.198 6.235 117 HD2 LYS 20 1HD LYS 20 3.317 -2.565 6.444 118 HD3 LYS 20 2HD LYS 20 2.351 -2.891 7.885 119 HE2 LYS 20 1HE LYS 20 4.837 -4.468 7.434 120 HE3 LYS 20 2HE LYS 20 4.981 -2.802 7.992 121 HZ1 LYS 20 3HZ LYS 20 4.282 -3.355 10.020 122 HZ2 LYS 20 1HZ LYS 20 4.590 -4.958 9.578 123 HZ3 LYS 20 2HZ LYS 20 3.026 -4.329 9.442 124 H VAL 21 H VAL 21 -0.978 -6.231 4.963 125 HA VAL 21 HA VAL 21 -2.293 -5.009 2.635 126 HB VAL 21 HB VAL 21 -4.147 -6.611 3.106 127 HG11 VAL 21 1HG1 VAL 21 -2.389 -7.077 1.442 128 HG12 VAL 21 2HG1 VAL 21 -1.457 -7.909 2.688 129 HG13 VAL 21 3HG1 VAL 21 -3.023 -8.546 2.184 130 HG21 VAL 21 3HG2 VAL 21 -2.276 -8.111 4.893 131 HG22 VAL 21 1HG2 VAL 21 -3.327 -6.860 5.557 132 HG23 VAL 21 2HG2 VAL 21 -4.026 -8.253 4.733 133 H PHE 22 H PHE 22 -4.637 -4.404 3.030 134 HA PHE 22 HA PHE 22 -5.190 -3.442 5.721 135 HB2 PHE 22 1HB PHE 22 -5.165 -1.559 3.354 136 HB3 PHE 22 2HB PHE 22 -5.586 -1.148 5.014 137 HD1 PHE 22 HD2 PHE 22 -2.800 -2.320 2.870 138 HD2 PHE 22 HD1 PHE 22 -3.947 -0.479 6.532 139 HE1 PHE 22 HE2 PHE 22 -0.447 -1.763 3.323 140 HE2 PHE 22 HE1 PHE 22 -1.595 0.082 6.991 141 HZ PHE 22 HZ PHE 22 0.159 -0.561 5.386 142 H THR 23 H THR 23 -7.409 -2.552 5.906 143 HA THR 23 HA THR 23 -9.232 -4.184 4.340 144 HB THR 23 HB THR 23 -10.967 -3.320 5.926 145 HG1 THR 23 HG1 THR 23 -9.960 -1.353 6.499 146 HG21 THR 23 3HG2 THR 23 -8.523 -4.525 7.228 147 HG22 THR 23 1HG2 THR 23 -9.764 -5.422 6.355 148 HG23 THR 23 2HG2 THR 23 -10.171 -4.586 7.853 149 H GLN 24 H GLN 24 -8.233 -0.879 4.586 150 HA GLN 24 HA GLN 24 -10.263 -0.150 2.581 151 HB2 GLN 24 1HB GLN 24 -10.503 0.849 4.958 152 HB3 GLN 24 2HB GLN 24 -9.119 1.842 4.518 153 HG2 GLN 24 1HG GLN 24 -10.294 2.980 2.875 154 HG3 GLN 24 2HG GLN 24 -11.531 1.729 2.757 155 HE21 GLN 24 1HE2 GLN 24 -13.123 3.346 2.986 156 HE22 GLN 24 2HE2 GLN 24 -13.492 4.022 4.533 157 H ASN 25 H ASN 25 -9.625 1.610 1.137 158 HA ASN 25 HA ASN 25 -7.067 1.181 0.031 159 HB2 ASN 25 1HB ASN 25 -8.970 1.914 -1.326 160 HB3 ASN 25 2HB ASN 25 -9.019 3.444 -0.453 161 HD21 ASN 25 1HD2 ASN 25 -7.947 5.085 -1.289 162 HD22 ASN 25 2HD2 ASN 25 -6.715 4.980 -2.497 163 H SER 26 H SER 26 -8.391 4.127 1.553 164 HA SER 26 HA SER 26 -6.159 5.690 1.608 165 HB2 SER 26 1HB SER 26 -8.405 6.375 2.432 166 HB3 SER 26 2HB SER 26 -8.126 5.431 3.895 167 HG SER 26 HG SER 26 -6.209 7.326 3.153 168 H HIS 27 H HIS 27 -7.061 3.272 4.055 169 HA HIS 27 HA HIS 27 -5.010 3.590 5.850 170 HB2 HIS 27 1HB HIS 27 -6.487 1.135 4.934 171 HB3 HIS 27 2HB HIS 27 -5.236 1.035 6.170 172 HD1 HIS 27 HD1 HIS 27 -6.974 0.340 7.956 173 HD2 HIS 27 HD2 HIS 27 -7.666 4.073 6.270 174 HE1 HIS 27 HE1 HIS 27 -8.685 1.439 9.435 175 H LEU 28 H LEU 28 -4.943 1.927 2.748 176 HA LEU 28 HA LEU 28 -2.243 0.977 3.126 177 HB2 LEU 28 1HB LEU 28 -3.725 -0.385 1.837 178 HB3 LEU 28 2HB LEU 28 -4.110 0.959 0.764 179 HG LEU 28 HG LEU 28 -1.835 0.896 -0.133 180 HD11 LEU 28 1HD1 LEU 28 -1.367 -1.643 1.387 181 HD12 LEU 28 2HD1 LEU 28 -0.903 -0.077 2.053 182 HD13 LEU 28 3HD1 LEU 28 -0.206 -0.628 0.530 183 HD21 LEU 28 3HD2 LEU 28 -3.792 -0.587 -0.946 184 HD22 LEU 28 1HD2 LEU 28 -2.864 -1.912 -0.244 185 HD23 LEU 28 2HD2 LEU 28 -2.162 -0.927 -1.528 186 H VAL 29 H VAL 29 -3.679 3.013 0.572 187 HA VAL 29 HA VAL 29 -1.496 4.054 -0.600 188 HB VAL 29 HB VAL 29 -4.009 4.656 -0.925 189 HG11 VAL 29 1HG1 VAL 29 -3.134 7.028 0.714 190 HG12 VAL 29 2HG1 VAL 29 -4.713 6.757 -0.026 191 HG13 VAL 29 3HG1 VAL 29 -4.181 5.743 1.316 192 HG21 VAL 29 3HG2 VAL 29 -1.614 5.690 -1.895 193 HG22 VAL 29 1HG2 VAL 29 -3.215 5.874 -2.611 194 HG23 VAL 29 2HG2 VAL 29 -2.593 7.106 -1.514 195 H ARG 30 H ARG 30 -2.775 5.036 2.537 196 HA ARG 30 HA ARG 30 -0.997 7.221 2.911 197 HB2 ARG 30 1HB ARG 30 -3.121 6.999 4.141 198 HB3 ARG 30 2HB ARG 30 -2.487 5.583 4.969 199 HG2 ARG 30 1HG ARG 30 -1.008 6.831 6.245 200 HG3 ARG 30 2HG ARG 30 -1.059 8.204 5.138 201 HD2 ARG 30 1HD ARG 30 -3.560 7.369 6.527 202 HD3 ARG 30 2HD ARG 30 -2.340 8.264 7.431 203 HE ARG 30 HE ARG 30 -2.682 9.719 5.156 204 HH11 ARG 30 1HH1 ARG 30 -4.814 8.525 7.636 205 HH12 ARG 30 2HH1 ARG 30 -5.939 9.834 7.481 206 HH21 ARG 30 1HH2 ARG 30 -4.155 11.446 4.942 207 HH22 ARG 30 2HH2 ARG 30 -5.564 11.494 5.948 208 H HIS 31 H HIS 31 -0.923 3.816 3.854 209 HA HIS 31 HA HIS 31 1.380 3.933 5.466 210 HB2 HIS 31 1HB HIS 31 0.221 1.956 5.749 211 HB3 HIS 31 2HB HIS 31 -0.083 1.763 4.024 212 HD1 HIS 31 HD1 HIS 31 2.397 0.984 6.688 213 HD2 HIS 31 HD2 HIS 31 1.991 0.511 2.580 214 HE1 HIS 31 HE1 HIS 31 4.198 -0.638 6.017 215 H ARG 32 H ARG 32 0.982 3.160 2.020 216 HA ARG 32 HA ARG 32 3.507 2.471 1.291 217 HB2 ARG 32 1HB ARG 32 1.361 4.019 -0.087 218 HB3 ARG 32 2HB ARG 32 2.945 3.930 -0.847 219 HG2 ARG 32 1HG ARG 32 2.778 1.684 -1.256 220 HG3 ARG 32 2HG ARG 32 1.661 1.413 0.083 221 HD2 ARG 32 1HD ARG 32 0.482 1.158 -2.004 222 HD3 ARG 32 2HD ARG 32 -0.089 2.611 -1.185 223 HE ARG 32 HE ARG 32 1.974 3.316 -2.949 224 HH11 ARG 32 1HH1 ARG 32 -1.311 2.164 -3.002 225 HH12 ARG 32 2HH1 ARG 32 -1.682 2.900 -4.525 226 HH21 ARG 32 1HH2 ARG 32 1.497 4.291 -4.955 227 HH22 ARG 32 2HH2 ARG 32 -0.084 4.109 -5.636 228 H GLY 33 H GLY 33 2.472 5.535 2.476 229 HA2 GLY 33 1HA GLY 33 4.314 7.300 1.411 230 HA3 GLY 33 2HA GLY 33 3.659 7.420 3.037 231 H ILE 34 H ILE 34 4.730 5.182 4.233 232 HA ILE 34 HA ILE 34 7.201 6.025 5.102 233 HB ILE 34 HB ILE 34 7.524 3.863 6.092 234 HG12 ILE 34 1HG1 ILE 34 5.209 2.767 4.510 235 HG13 ILE 34 2HG1 ILE 34 6.859 2.662 3.907 236 HG21 ILE 34 1HG2 ILE 34 5.952 4.499 7.526 237 HG22 ILE 34 2HG2 ILE 34 5.038 5.293 6.245 238 HG23 ILE 34 3HG2 ILE 34 4.782 3.581 6.578 239 HD11 ILE 34 3HD1 ILE 34 5.689 0.760 5.379 240 HD12 ILE 34 1HD1 ILE 34 7.428 1.052 5.370 241 HD13 ILE 34 2HD1 ILE 34 6.428 1.718 6.662 242 H HIS 35 H HIS 35 6.415 4.401 2.178 243 HA HIS 35 HA HIS 35 9.179 3.592 1.695 244 HB2 HIS 35 1HB HIS 35 6.670 3.191 0.054 245 HB3 HIS 35 2HB HIS 35 8.264 2.585 -0.388 246 HD1 HIS 35 HD1 HIS 35 9.295 0.761 1.289 247 HD2 HIS 35 HD2 HIS 35 5.244 1.571 1.730 248 HE1 HIS 35 HE1 HIS 35 8.369 -1.154 2.630 249 H THR 36 H THR 36 6.671 5.455 -0.030 250 HA THR 36 HA THR 36 8.557 6.646 -1.814 251 HB THR 36 HB THR 36 6.235 6.333 -2.501 252 HG1 THR 36 HG1 THR 36 7.383 8.891 -2.424 253 HG21 THR 36 3HG2 THR 36 4.622 6.718 -1.005 254 HG22 THR 36 1HG2 THR 36 4.854 8.439 -1.313 255 HG23 THR 36 2HG2 THR 36 5.707 7.658 0.019 256 H GLY 37 H GLY 37 9.541 8.609 -1.738 257 HA2 GLY 37 1HA GLY 37 8.861 10.863 -0.342 258 HA3 GLY 37 2HA GLY 37 9.750 9.890 0.820 259 H GLU 38 H GLU 38 9.958 12.011 -1.849 260 HA GLU 38 HA GLU 38 12.500 11.428 -2.850 261 HB2 GLU 38 1HB GLU 38 10.778 13.863 -2.780 262 HB3 GLU 38 2HB GLU 38 12.460 14.047 -3.257 263 HG2 GLU 38 1HG GLU 38 12.193 12.850 -5.189 264 HG3 GLU 38 2HG GLU 38 10.829 11.928 -4.558 265 H LYS 39 H LYS 39 14.554 12.113 -2.336 266 HA LYS 39 HA LYS 39 14.862 13.478 0.257 267 HB2 LYS 39 1HB LYS 39 16.764 12.082 0.765 268 HB3 LYS 39 2HB LYS 39 15.386 11.053 0.396 269 HG2 LYS 39 1HG LYS 39 16.414 11.096 -2.021 270 HG3 LYS 39 2HG LYS 39 17.891 11.496 -1.142 271 HD2 LYS 39 1HD LYS 39 17.831 9.478 0.078 272 HD3 LYS 39 2HD LYS 39 16.160 9.155 -0.389 273 HE2 LYS 39 1HE LYS 39 17.304 7.728 -1.785 274 HE3 LYS 39 2HE LYS 39 17.138 9.153 -2.808 275 HZ1 LYS 39 3HZ LYS 39 19.468 9.534 -1.402 276 HZ2 LYS 39 1HZ LYS 39 19.330 9.095 -3.030 277 HZ3 LYS 39 2HZ LYS 39 19.501 7.901 -1.844 278 HA PRO 40 HA PRO 40 17.468 16.372 -1.775 279 HB2 PRO 40 1HB PRO 40 19.145 17.048 0.250 280 HB3 PRO 40 2HB PRO 40 17.457 17.567 0.188 281 HG2 PRO 40 1HG PRO 40 18.690 15.311 1.721 282 HG3 PRO 40 2HG PRO 40 17.474 16.489 2.248 283 HD2 PRO 40 1HD PRO 40 16.829 13.972 1.486 284 HD3 PRO 40 2HD PRO 40 15.749 15.356 1.222 285 H SER 41 H SER 41 18.542 13.357 -0.812 286 HA SER 41 HA SER 41 21.261 13.828 -1.833 287 HB2 SER 41 1HB SER 41 21.066 12.842 0.454 288 HB3 SER 41 2HB SER 41 20.250 11.449 -0.257 289 HG SER 41 HG SER 41 22.393 10.929 -0.105 290 H GLY 42 H GLY 42 21.987 12.791 -3.620 291 HA2 GLY 42 1HA GLY 42 21.497 10.492 -4.808 292 HA3 GLY 42 2HA GLY 42 19.989 11.319 -5.169 293 HA PRO 43 HA PRO 43 21.877 12.884 -8.814 294 HB2 PRO 43 1HB PRO 43 20.256 15.015 -9.267 295 HB3 PRO 43 2HB PRO 43 19.747 13.345 -9.542 296 HG2 PRO 43 1HG PRO 43 19.194 15.134 -7.206 297 HG3 PRO 43 2HG PRO 43 18.094 14.034 -8.058 298 HD2 PRO 43 1HD PRO 43 19.260 13.392 -5.700 299 HD3 PRO 43 2HD PRO 43 18.883 12.179 -6.940 300 H SER 44 H SER 44 23.692 14.018 -9.024 301 HA SER 44 HA SER 44 23.946 16.567 -7.570 302 HB2 SER 44 1HB SER 44 26.078 14.450 -7.941 303 HB3 SER 44 2HB SER 44 26.361 16.052 -7.259 304 HG SER 44 HG SER 44 25.720 13.977 -5.913 305 H SER 45 H SER 45 23.043 16.311 -10.218 306 HA SER 45 HA SER 45 25.323 16.987 -11.910 307 HB2 SER 45 1HB SER 45 23.753 15.471 -12.916 308 HB3 SER 45 2HB SER 45 22.397 16.528 -12.524 309 HG SER 45 HG SER 45 23.491 16.531 -14.762 310 H GLY 46 H GLY 46 25.964 19.025 -12.070 311 HA2 GLY 46 1HA GLY 46 24.556 21.217 -11.003 312 HA3 GLY 46 2HA GLY 46 25.946 21.320 -12.073 Start of MODEL 3 1 H1 GLY 1 H GLY 1 17.686 -18.094 13.535 2 HA2 GLY 1 1HA GLY 1 18.039 -19.497 11.009 3 HA3 GLY 1 2HA GLY 1 16.827 -20.163 12.092 4 H SER 2 H SER 2 15.620 -19.595 9.981 5 HA SER 2 HA SER 2 14.752 -16.790 10.010 6 HB2 SER 2 1HB SER 2 15.540 -17.768 7.847 7 HB3 SER 2 2HB SER 2 14.193 -18.904 7.916 8 HG SER 2 HG SER 2 14.159 -16.119 7.530 9 H SER 3 H SER 3 12.476 -16.311 9.842 10 HA SER 3 HA SER 3 10.703 -18.445 10.810 11 HB2 SER 3 1HB SER 3 10.924 -15.649 11.949 12 HB3 SER 3 2HB SER 3 9.631 -16.783 12.341 13 HG SER 3 HG SER 3 11.666 -18.195 12.802 14 H GLY 4 H GLY 4 8.529 -18.262 10.209 15 HA2 GLY 4 1HA GLY 4 8.091 -16.898 7.730 16 HA3 GLY 4 2HA GLY 4 6.914 -17.858 8.613 17 H SER 5 H SER 5 5.167 -16.566 8.671 18 HA SER 5 HA SER 5 5.251 -14.241 10.356 19 HB2 SER 5 1HB SER 5 4.390 -12.655 8.691 20 HB3 SER 5 2HB SER 5 5.976 -13.260 8.216 21 HG SER 5 HG SER 5 3.745 -14.648 7.292 22 H SER 6 H SER 6 3.213 -13.611 11.086 23 HA SER 6 HA SER 6 1.057 -15.498 10.416 24 HB2 SER 6 1HB SER 6 1.879 -15.455 12.788 25 HB3 SER 6 2HB SER 6 1.307 -13.791 12.902 26 HG SER 6 HG SER 6 -0.165 -16.171 12.657 27 H GLY 7 H GLY 7 0.152 -14.428 8.671 28 HA2 GLY 7 1HA GLY 7 -1.608 -12.249 9.352 29 HA3 GLY 7 2HA GLY 7 -0.322 -11.786 8.247 30 H THR 8 H THR 8 -2.295 -14.737 8.498 31 HA THR 8 HA THR 8 -2.521 -15.188 5.771 32 HB THR 8 HB THR 8 -4.520 -16.567 6.313 33 HG1 THR 8 HG1 THR 8 -4.129 -15.988 9.039 34 HG21 THR 8 3HG2 THR 8 -2.701 -17.904 6.583 35 HG22 THR 8 1HG2 THR 8 -3.213 -17.851 8.269 36 HG23 THR 8 2HG2 THR 8 -1.917 -16.795 7.707 37 H GLY 9 H GLY 9 -4.572 -15.123 4.473 38 HA2 GLY 9 1HA GLY 9 -6.802 -13.950 4.389 39 HA3 GLY 9 2HA GLY 9 -5.911 -12.524 4.900 40 H GLU 10 H GLU 10 -3.758 -12.388 3.374 41 HA GLU 10 HA GLU 10 -2.998 -11.738 1.331 42 HB2 GLU 10 1HB GLU 10 -4.764 -14.055 0.625 43 HB3 GLU 10 2HB GLU 10 -4.027 -13.095 -0.649 44 HG2 GLU 10 1HG GLU 10 -2.747 -15.124 -0.053 45 HG3 GLU 10 2HG GLU 10 -1.831 -13.628 0.123 46 H LYS 11 H LYS 11 -5.093 -10.235 2.470 47 HA LYS 11 HA LYS 11 -7.314 -9.595 1.109 48 HB2 LYS 11 1HB LYS 11 -5.245 -7.801 2.342 49 HB3 LYS 11 2HB LYS 11 -6.678 -7.123 1.581 50 HG2 LYS 11 1HG LYS 11 -8.052 -8.570 3.100 51 HG3 LYS 11 2HG LYS 11 -6.557 -8.975 3.947 52 HD2 LYS 11 1HD LYS 11 -6.223 -6.727 4.619 53 HD3 LYS 11 2HD LYS 11 -7.473 -6.139 3.520 54 HE2 LYS 11 1HE LYS 11 -8.543 -6.108 5.577 55 HE3 LYS 11 2HE LYS 11 -9.058 -7.651 4.895 56 HZ1 LYS 11 3HZ LYS 11 -7.710 -7.184 7.303 57 HZ2 LYS 11 1HZ LYS 11 -6.673 -8.065 6.296 58 HZ3 LYS 11 2HZ LYS 11 -8.214 -8.663 6.655 59 HA PRO 12 HA PRO 12 -6.399 -8.424 -3.021 60 HB2 PRO 12 1HB PRO 12 -8.301 -6.540 -3.470 61 HB3 PRO 12 2HB PRO 12 -8.667 -8.266 -3.354 62 HG2 PRO 12 1HG PRO 12 -8.953 -6.125 -1.281 63 HG3 PRO 12 2HG PRO 12 -10.068 -7.441 -1.691 64 HD2 PRO 12 1HD PRO 12 -8.405 -7.551 0.444 65 HD3 PRO 12 2HD PRO 12 -8.879 -8.996 -0.473 66 H TYR 13 H TYR 13 -6.034 -6.264 -0.439 67 HA TYR 13 HA TYR 13 -4.646 -4.338 -2.186 68 HB2 TYR 13 1HB TYR 13 -6.418 -3.900 0.184 69 HB3 TYR 13 2HB TYR 13 -5.114 -2.761 -0.128 70 HD1 TYR 13 HD2 TYR 13 -7.737 -4.517 -2.143 71 HD2 TYR 13 HD1 TYR 13 -5.748 -0.862 -1.257 72 HE1 TYR 13 HE2 TYR 13 -9.153 -3.356 -3.784 73 HE2 TYR 13 HE1 TYR 13 -7.159 0.310 -2.896 74 HH TYR 13 HH TYR 13 -8.750 -1.030 -5.244 75 H LYS 14 H LYS 14 -2.654 -5.369 -1.985 76 HA LYS 14 HA LYS 14 -1.471 -5.297 0.714 77 HB2 LYS 14 1HB LYS 14 -1.708 -7.575 -0.330 78 HB3 LYS 14 2HB LYS 14 -0.591 -7.050 -1.583 79 HG2 LYS 14 1HG LYS 14 1.175 -6.790 0.005 80 HG3 LYS 14 2HG LYS 14 0.071 -7.075 1.353 81 HD2 LYS 14 1HD LYS 14 -0.130 -9.345 0.866 82 HD3 LYS 14 2HD LYS 14 0.438 -9.137 -0.793 83 HE2 LYS 14 1HE LYS 14 2.233 -8.545 1.533 84 HE3 LYS 14 2HE LYS 14 2.022 -10.197 0.954 85 HZ1 LYS 14 3HZ LYS 14 3.853 -9.435 -0.214 86 HZ2 LYS 14 1HZ LYS 14 3.206 -7.889 -0.449 87 HZ3 LYS 14 2HZ LYS 14 2.594 -9.203 -1.320 88 H CYS 15 H CYS 15 0.641 -4.514 0.940 89 HA CYS 15 HA CYS 15 1.358 -2.483 -0.969 90 HB2 CYS 15 1HB CYS 15 1.586 -2.058 1.430 91 HB3 CYS 15 2HB CYS 15 2.735 -3.385 1.569 92 H ASN 16 H ASN 16 2.682 -2.720 -2.637 93 HA ASN 16 HA ASN 16 4.183 -5.184 -2.944 94 HB2 ASN 16 1HB ASN 16 2.795 -3.852 -4.753 95 HB3 ASN 16 2HB ASN 16 4.302 -2.959 -4.939 96 HD21 ASN 16 1HD2 ASN 16 6.146 -4.043 -5.678 97 HD22 ASN 16 2HD2 ASN 16 6.032 -5.547 -6.521 98 H GLU 17 H GLU 17 5.107 -3.494 -0.870 99 HA GLU 17 HA GLU 17 7.786 -2.867 -1.903 100 HB2 GLU 17 1HB GLU 17 6.300 -1.210 0.142 101 HB3 GLU 17 2HB GLU 17 7.918 -0.902 -0.475 102 HG2 GLU 17 1HG GLU 17 5.520 -0.973 -2.273 103 HG3 GLU 17 2HG GLU 17 6.015 0.489 -1.421 104 H CYS 18 H CYS 18 5.793 -3.597 0.929 105 HA CYS 18 HA CYS 18 8.147 -4.884 2.150 106 HB2 CYS 18 1HB CYS 18 7.131 -4.342 4.365 107 HB3 CYS 18 2HB CYS 18 7.617 -2.921 3.446 108 H GLY 19 H GLY 19 4.591 -4.872 2.028 109 HA2 GLY 19 1HA GLY 19 3.583 -7.049 1.373 110 HA3 GLY 19 2HA GLY 19 4.681 -7.784 2.532 111 H LYS 20 H LYS 20 2.599 -4.909 2.756 112 HA LYS 20 HA LYS 20 1.280 -6.176 5.069 113 HB2 LYS 20 1HB LYS 20 2.303 -3.402 4.652 114 HB3 LYS 20 2HB LYS 20 0.869 -3.623 5.646 115 HG2 LYS 20 1HG LYS 20 2.032 -4.913 7.227 116 HG3 LYS 20 2HG LYS 20 3.405 -5.149 6.142 117 HD2 LYS 20 1HD LYS 20 3.950 -2.779 6.295 118 HD3 LYS 20 2HD LYS 20 2.552 -2.512 7.339 119 HE2 LYS 20 1HE LYS 20 3.502 -3.756 9.099 120 HE3 LYS 20 2HE LYS 20 4.726 -4.462 8.046 121 HZ1 LYS 20 3HZ LYS 20 6.076 -2.822 8.614 122 HZ2 LYS 20 1HZ LYS 20 4.876 -2.105 9.567 123 HZ3 LYS 20 2HZ LYS 20 5.016 -1.694 7.932 124 H VAL 21 H VAL 21 -0.901 -6.220 5.110 125 HA VAL 21 HA VAL 21 -2.295 -5.156 2.761 126 HB VAL 21 HB VAL 21 -4.189 -6.616 3.561 127 HG11 VAL 21 1HG1 VAL 21 -3.189 -7.666 1.829 128 HG12 VAL 21 2HG1 VAL 21 -1.576 -7.520 2.531 129 HG13 VAL 21 3HG1 VAL 21 -2.672 -8.783 3.091 130 HG21 VAL 21 3HG2 VAL 21 -2.682 -6.759 5.880 131 HG22 VAL 21 1HG2 VAL 21 -4.091 -7.743 5.482 132 HG23 VAL 21 2HG2 VAL 21 -2.470 -8.343 5.134 133 H PHE 22 H PHE 22 -4.648 -4.505 3.239 134 HA PHE 22 HA PHE 22 -5.072 -3.238 5.805 135 HB2 PHE 22 1HB PHE 22 -4.892 -1.569 3.287 136 HB3 PHE 22 2HB PHE 22 -5.391 -0.986 4.871 137 HD1 PHE 22 HD2 PHE 22 -2.551 -2.292 2.919 138 HD2 PHE 22 HD1 PHE 22 -3.802 -0.415 6.529 139 HE1 PHE 22 HE2 PHE 22 -0.206 -1.789 3.466 140 HE2 PHE 22 HE1 PHE 22 -1.459 0.092 7.081 141 HZ PHE 22 HZ PHE 22 0.343 -0.596 5.549 142 H THR 23 H THR 23 -7.231 -2.568 6.137 143 HA THR 23 HA THR 23 -9.167 -4.141 4.803 144 HB THR 23 HB THR 23 -10.835 -2.867 6.130 145 HG1 THR 23 HG1 THR 23 -9.752 -1.387 7.731 146 HG21 THR 23 3HG2 THR 23 -9.885 -4.766 7.200 147 HG22 THR 23 1HG2 THR 23 -9.874 -3.465 8.390 148 HG23 THR 23 2HG2 THR 23 -8.387 -3.904 7.550 149 H GLN 24 H GLN 24 -8.585 -0.626 4.806 150 HA GLN 24 HA GLN 24 -10.189 -0.450 2.342 151 HB2 GLN 24 1HB GLN 24 -10.894 0.827 4.481 152 HB3 GLN 24 2HB GLN 24 -9.550 1.897 4.106 153 HG2 GLN 24 1HG GLN 24 -11.514 2.877 3.215 154 HG3 GLN 24 2HG GLN 24 -10.568 2.264 1.859 155 HE21 GLN 24 1HE2 GLN 24 -13.208 1.364 4.037 156 HE22 GLN 24 2HE2 GLN 24 -14.103 0.466 2.864 157 H ASN 25 H ASN 25 -9.483 1.114 0.737 158 HA ASN 25 HA ASN 25 -6.782 0.825 0.056 159 HB2 ASN 25 1HB ASN 25 -7.241 2.185 -1.819 160 HB3 ASN 25 2HB ASN 25 -8.762 1.368 -1.474 161 HD21 ASN 25 1HD2 ASN 25 -7.562 4.191 -2.412 162 HD22 ASN 25 2HD2 ASN 25 -8.735 5.277 -1.757 163 H SER 26 H SER 26 -8.522 3.677 1.290 164 HA SER 26 HA SER 26 -6.524 5.531 1.354 165 HB2 SER 26 1HB SER 26 -8.909 5.862 2.098 166 HB3 SER 26 2HB SER 26 -8.466 5.121 3.637 167 HG SER 26 HG SER 26 -6.729 6.836 3.594 168 H HIS 27 H HIS 27 -7.106 2.972 3.732 169 HA HIS 27 HA HIS 27 -5.176 3.679 5.608 170 HB2 HIS 27 1HB HIS 27 -6.458 1.090 4.825 171 HB3 HIS 27 2HB HIS 27 -5.116 1.075 5.965 172 HD1 HIS 27 HD1 HIS 27 -6.723 0.259 7.841 173 HD2 HIS 27 HD2 HIS 27 -7.661 3.990 6.272 174 HE1 HIS 27 HE1 HIS 27 -8.373 1.269 9.448 175 H LEU 28 H LEU 28 -4.880 1.607 2.741 176 HA LEU 28 HA LEU 28 -2.128 1.017 3.151 177 HB2 LEU 28 1HB LEU 28 -3.411 -0.485 1.836 178 HB3 LEU 28 2HB LEU 28 -3.938 0.807 0.758 179 HG LEU 28 HG LEU 28 -1.504 1.004 0.051 180 HD11 LEU 28 1HD1 LEU 28 -0.116 -0.974 0.393 181 HD12 LEU 28 2HD1 LEU 28 -1.359 -1.674 1.429 182 HD13 LEU 28 3HD1 LEU 28 -0.522 -0.204 1.927 183 HD21 LEU 28 3HD2 LEU 28 -3.582 -0.545 -0.877 184 HD22 LEU 28 1HD2 LEU 28 -2.239 -1.684 -0.787 185 HD23 LEU 28 2HD2 LEU 28 -2.078 -0.205 -1.735 186 H VAL 29 H VAL 29 -3.793 3.195 0.872 187 HA VAL 29 HA VAL 29 -1.764 4.300 -0.512 188 HB VAL 29 HB VAL 29 -4.007 5.867 0.771 189 HG11 VAL 29 1HG1 VAL 29 -2.709 6.646 -1.794 190 HG12 VAL 29 2HG1 VAL 29 -3.536 7.646 -0.598 191 HG13 VAL 29 3HG1 VAL 29 -1.907 7.050 -0.276 192 HG21 VAL 29 3HG2 VAL 29 -5.162 4.366 -0.501 193 HG22 VAL 29 1HG2 VAL 29 -4.811 5.574 -1.738 194 HG23 VAL 29 2HG2 VAL 29 -3.824 4.117 -1.622 195 H ARG 30 H ARG 30 -2.816 5.556 2.660 196 HA ARG 30 HA ARG 30 -0.777 7.431 2.973 197 HB2 ARG 30 1HB ARG 30 -2.650 6.024 4.806 198 HB3 ARG 30 2HB ARG 30 -1.270 6.837 5.531 199 HG2 ARG 30 1HG ARG 30 -3.071 8.366 5.567 200 HG3 ARG 30 2HG ARG 30 -1.967 8.909 4.302 201 HD2 ARG 30 1HD ARG 30 -3.508 7.430 2.773 202 HD3 ARG 30 2HD ARG 30 -4.675 7.685 4.070 203 HE ARG 30 HE ARG 30 -3.694 9.654 2.192 204 HH11 ARG 30 1HH1 ARG 30 -5.324 9.064 5.211 205 HH12 ARG 30 2HH1 ARG 30 -6.111 10.607 5.237 206 HH21 ARG 30 1HH2 ARG 30 -4.725 11.689 2.215 207 HH22 ARG 30 2HH2 ARG 30 -5.770 12.099 3.532 208 H HIS 31 H HIS 31 -0.942 4.063 4.099 209 HA HIS 31 HA HIS 31 1.417 3.890 5.497 210 HB2 HIS 31 1HB HIS 31 0.076 1.978 5.563 211 HB3 HIS 31 2HB HIS 31 -0.076 1.905 3.810 212 HD1 HIS 31 HD1 HIS 31 2.325 1.094 6.591 213 HD2 HIS 31 HD2 HIS 31 1.880 0.442 2.512 214 HE1 HIS 31 HE1 HIS 31 4.077 -0.607 5.986 215 H ARG 32 H ARG 32 0.977 3.329 2.007 216 HA ARG 32 HA ARG 32 3.474 2.653 1.211 217 HB2 ARG 32 1HB ARG 32 1.726 4.692 -0.180 218 HB3 ARG 32 2HB ARG 32 3.019 3.761 -0.925 219 HG2 ARG 32 1HG ARG 32 0.775 2.323 0.407 220 HG3 ARG 32 2HG ARG 32 0.529 3.032 -1.191 221 HD2 ARG 32 1HD ARG 32 2.692 1.067 -0.443 222 HD3 ARG 32 2HD ARG 32 1.220 0.687 -1.336 223 HE ARG 32 HE ARG 32 2.753 2.757 -2.577 224 HH11 ARG 32 1HH1 ARG 32 2.453 -0.690 -2.193 225 HH12 ARG 32 2HH1 ARG 32 3.233 -1.057 -3.696 226 HH21 ARG 32 1HH2 ARG 32 3.782 2.287 -4.558 227 HH22 ARG 32 2HH2 ARG 32 3.990 0.637 -5.040 228 H GLY 33 H GLY 33 2.511 5.680 2.565 229 HA2 GLY 33 1HA GLY 33 4.451 7.419 1.604 230 HA3 GLY 33 2HA GLY 33 3.730 7.518 3.203 231 H ILE 34 H ILE 34 4.680 5.106 4.277 232 HA ILE 34 HA ILE 34 7.104 5.842 5.360 233 HB ILE 34 HB ILE 34 7.354 3.581 6.160 234 HG12 ILE 34 1HG1 ILE 34 5.027 2.602 4.569 235 HG13 ILE 34 2HG1 ILE 34 6.593 2.704 3.772 236 HG21 ILE 34 1HG2 ILE 34 5.361 3.382 7.383 237 HG22 ILE 34 2HG2 ILE 34 5.494 5.100 7.008 238 HG23 ILE 34 3HG2 ILE 34 4.394 4.078 6.083 239 HD11 ILE 34 3HD1 ILE 34 5.608 0.660 5.432 240 HD12 ILE 34 1HD1 ILE 34 7.201 0.791 4.687 241 HD13 ILE 34 2HD1 ILE 34 6.926 1.444 6.302 242 H HIS 35 H HIS 35 6.466 4.396 2.291 243 HA HIS 35 HA HIS 35 9.241 3.603 1.896 244 HB2 HIS 35 1HB HIS 35 6.869 3.439 0.024 245 HB3 HIS 35 2HB HIS 35 8.463 2.754 -0.281 246 HD1 HIS 35 HD1 HIS 35 9.081 0.588 0.965 247 HD2 HIS 35 HD2 HIS 35 5.281 2.015 1.849 248 HE1 HIS 35 HE1 HIS 35 7.926 -1.285 2.183 249 H THR 36 H THR 36 6.888 5.661 0.172 250 HA THR 36 HA THR 36 8.737 6.897 -1.524 251 HB THR 36 HB THR 36 7.038 8.664 -1.837 252 HG1 THR 36 HG1 THR 36 5.019 8.304 -0.622 253 HG21 THR 36 3HG2 THR 36 6.569 6.907 -3.246 254 HG22 THR 36 1HG2 THR 36 5.078 6.971 -2.307 255 HG23 THR 36 2HG2 THR 36 6.312 5.771 -1.922 256 H GLY 37 H GLY 37 9.541 9.092 -1.494 257 HA2 GLY 37 1HA GLY 37 9.976 11.138 -0.289 258 HA3 GLY 37 2HA GLY 37 9.812 10.235 1.210 259 H GLU 38 H GLU 38 11.566 9.219 2.078 260 HA GLU 38 HA GLU 38 14.134 9.875 0.858 261 HB2 GLU 38 1HB GLU 38 15.103 9.327 3.021 262 HB3 GLU 38 2HB GLU 38 13.766 10.451 3.223 263 HG2 GLU 38 1HG GLU 38 13.199 7.548 3.459 264 HG3 GLU 38 2HG GLU 38 14.062 8.342 4.775 265 H LYS 39 H LYS 39 15.833 8.302 0.700 266 HA LYS 39 HA LYS 39 14.944 5.833 -0.406 267 HB2 LYS 39 1HB LYS 39 17.590 7.131 0.070 268 HB3 LYS 39 2HB LYS 39 17.555 5.404 -0.263 269 HG2 LYS 39 1HG LYS 39 16.593 5.736 -2.393 270 HG3 LYS 39 2HG LYS 39 16.224 7.426 -2.042 271 HD2 LYS 39 1HD LYS 39 18.116 7.657 -3.326 272 HD3 LYS 39 2HD LYS 39 18.822 7.597 -1.709 273 HE2 LYS 39 1HE LYS 39 18.438 5.059 -3.230 274 HE3 LYS 39 2HE LYS 39 19.782 6.119 -3.652 275 HZ1 LYS 39 3HZ LYS 39 19.394 4.472 -1.300 276 HZ2 LYS 39 1HZ LYS 39 20.020 6.015 -0.997 277 HZ3 LYS 39 2HZ LYS 39 20.826 4.967 -2.053 278 HA PRO 40 HA PRO 40 14.907 3.272 3.174 279 HB2 PRO 40 1HB PRO 40 15.309 0.862 1.991 280 HB3 PRO 40 2HB PRO 40 13.779 1.741 1.884 281 HG2 PRO 40 1HG PRO 40 16.011 1.575 -0.104 282 HG3 PRO 40 2HG PRO 40 14.261 1.490 -0.377 283 HD2 PRO 40 1HD PRO 40 15.697 3.743 -0.820 284 HD3 PRO 40 2HD PRO 40 14.007 3.779 -0.277 285 H SER 41 H SER 41 16.237 1.277 4.024 286 HA SER 41 HA SER 41 19.053 2.087 3.922 287 HB2 SER 41 1HB SER 41 19.308 0.956 6.049 288 HB3 SER 41 2HB SER 41 17.897 2.010 6.136 289 HG SER 41 HG SER 41 16.635 0.100 5.632 290 H GLY 42 H GLY 42 17.046 -0.855 3.892 291 HA2 GLY 42 1HA GLY 42 18.969 -2.096 2.080 292 HA3 GLY 42 2HA GLY 42 18.713 -2.897 3.623 293 HA PRO 43 HA PRO 43 14.527 -3.122 1.181 294 HB2 PRO 43 1HB PRO 43 14.671 -2.524 -1.463 295 HB3 PRO 43 2HB PRO 43 14.300 -1.319 -0.224 296 HG2 PRO 43 1HG PRO 43 16.901 -1.891 -1.592 297 HG3 PRO 43 2HG PRO 43 16.157 -0.327 -1.212 298 HD2 PRO 43 1HD PRO 43 18.138 -1.400 0.290 299 HD3 PRO 43 2HD PRO 43 16.858 -0.384 0.983 300 H SER 44 H SER 44 17.449 -3.768 -0.735 301 HA SER 44 HA SER 44 18.111 -5.587 -1.947 302 HB2 SER 44 1HB SER 44 16.845 -6.799 0.501 303 HB3 SER 44 2HB SER 44 17.590 -7.809 -0.738 304 HG SER 44 HG SER 44 18.966 -5.634 0.422 305 H SER 45 H SER 45 15.704 -4.457 -2.865 306 HA SER 45 HA SER 45 14.333 -6.853 -3.895 307 HB2 SER 45 1HB SER 45 12.926 -5.531 -2.294 308 HB3 SER 45 2HB SER 45 13.031 -4.165 -3.406 309 HG SER 45 HG SER 45 12.185 -5.788 -5.003 310 H GLY 46 H GLY 46 14.846 -3.382 -4.551 311 HA2 GLY 46 1HA GLY 46 15.620 -2.383 -6.498 312 HA3 GLY 46 2HA GLY 46 15.736 -3.975 -7.232 Start of MODEL 4 1 H1 GLY 1 H GLY 1 0.155 -21.848 10.116 2 HA2 GLY 1 1HA GLY 1 0.910 -21.827 12.416 3 HA3 GLY 1 2HA GLY 1 2.538 -21.533 11.825 4 H SER 2 H SER 2 2.832 -19.691 13.076 5 HA SER 2 HA SER 2 1.022 -17.438 12.597 6 HB2 SER 2 1HB SER 2 1.828 -18.210 14.947 7 HB3 SER 2 2HB SER 2 3.328 -17.385 14.525 8 HG SER 2 HG SER 2 2.266 -15.726 15.303 9 H SER 3 H SER 3 1.674 -16.841 10.524 10 HA SER 3 HA SER 3 3.802 -14.997 10.378 11 HB2 SER 3 1HB SER 3 5.323 -16.142 8.871 12 HB3 SER 3 2HB SER 3 5.143 -17.098 10.343 13 HG SER 3 HG SER 3 3.394 -17.647 8.248 14 H GLY 4 H GLY 4 3.312 -13.567 8.836 15 HA2 GLY 4 1HA GLY 4 1.049 -14.044 7.131 16 HA3 GLY 4 2HA GLY 4 2.007 -12.573 7.206 17 H SER 5 H SER 5 2.052 -15.898 5.973 18 HA SER 5 HA SER 5 3.303 -14.922 3.526 19 HB2 SER 5 1HB SER 5 4.489 -17.081 5.278 20 HB3 SER 5 2HB SER 5 4.938 -16.850 3.588 21 HG SER 5 HG SER 5 6.255 -15.761 5.277 22 H SER 6 H SER 6 2.518 -15.895 1.755 23 HA SER 6 HA SER 6 1.232 -17.230 0.435 24 HB2 SER 6 1HB SER 6 2.925 -18.922 1.257 25 HB3 SER 6 2HB SER 6 1.741 -19.407 2.470 26 HG SER 6 HG SER 6 0.318 -19.590 0.459 27 H GLY 7 H GLY 7 -0.178 -15.615 2.161 28 HA2 GLY 7 1HA GLY 7 -2.126 -17.022 3.685 29 HA3 GLY 7 2HA GLY 7 -2.221 -15.341 3.183 30 H THR 8 H THR 8 -3.358 -18.504 2.669 31 HA THR 8 HA THR 8 -4.191 -18.630 0.078 32 HB THR 8 HB THR 8 -5.838 -19.422 2.488 33 HG1 THR 8 HG1 THR 8 -3.598 -20.320 2.099 34 HG21 THR 8 3HG2 THR 8 -7.395 -19.710 0.859 35 HG22 THR 8 1HG2 THR 8 -6.499 -21.206 0.597 36 HG23 THR 8 2HG2 THR 8 -6.192 -19.803 -0.427 37 H GLY 9 H GLY 9 -6.076 -17.152 2.729 38 HA2 GLY 9 1HA GLY 9 -7.787 -15.853 0.738 39 HA3 GLY 9 2HA GLY 9 -8.102 -15.956 2.464 40 H GLU 10 H GLU 10 -5.349 -14.745 0.551 41 HA GLU 10 HA GLU 10 -4.825 -12.596 2.296 42 HB2 GLU 10 1HB GLU 10 -3.235 -11.855 0.683 43 HB3 GLU 10 2HB GLU 10 -3.211 -13.612 0.655 44 HG2 GLU 10 1HG GLU 10 -4.429 -13.685 -1.376 45 HG3 GLU 10 2HG GLU 10 -4.795 -11.962 -1.291 46 H LYS 11 H LYS 11 -5.173 -10.364 2.046 47 HA LYS 11 HA LYS 11 -7.736 -9.696 0.950 48 HB2 LYS 11 1HB LYS 11 -5.610 -7.933 2.183 49 HB3 LYS 11 2HB LYS 11 -7.253 -7.430 1.808 50 HG2 LYS 11 1HG LYS 11 -8.170 -8.812 3.474 51 HG3 LYS 11 2HG LYS 11 -6.665 -9.714 3.664 52 HD2 LYS 11 1HD LYS 11 -6.521 -8.337 5.483 53 HD3 LYS 11 2HD LYS 11 -5.725 -7.320 4.279 54 HE2 LYS 11 1HE LYS 11 -7.653 -5.992 3.985 55 HE3 LYS 11 2HE LYS 11 -8.676 -7.153 4.828 56 HZ1 LYS 11 3HZ LYS 11 -8.267 -6.120 6.726 57 HZ2 LYS 11 1HZ LYS 11 -7.360 -4.954 5.900 58 HZ3 LYS 11 2HZ LYS 11 -6.598 -6.323 6.536 59 HA PRO 12 HA PRO 12 -6.592 -8.212 -3.021 60 HB2 PRO 12 1HB PRO 12 -8.390 -6.206 -3.362 61 HB3 PRO 12 2HB PRO 12 -8.835 -7.915 -3.421 62 HG2 PRO 12 1HG PRO 12 -9.113 -5.963 -1.169 63 HG3 PRO 12 2HG PRO 12 -10.267 -7.182 -1.742 64 HD2 PRO 12 1HD PRO 12 -8.701 -7.567 0.434 65 HD3 PRO 12 2HD PRO 12 -9.199 -8.897 -0.632 66 H TYR 13 H TYR 13 -6.158 -6.378 -0.235 67 HA TYR 13 HA TYR 13 -4.738 -4.279 -1.742 68 HB2 TYR 13 1HB TYR 13 -6.135 -4.127 0.932 69 HB3 TYR 13 2HB TYR 13 -5.059 -2.872 0.330 70 HD1 TYR 13 HD1 TYR 13 -5.716 -1.474 -1.567 71 HD2 TYR 13 HD2 TYR 13 -8.344 -4.430 0.003 72 HE1 TYR 13 HE1 TYR 13 -7.592 -0.439 -2.775 73 HE2 TYR 13 HE2 TYR 13 -10.227 -3.404 -1.202 74 HH TYR 13 HH TYR 13 -10.370 -1.873 -3.433 75 H LYS 14 H LYS 14 -2.620 -4.570 -1.673 76 HA LYS 14 HA LYS 14 -1.350 -5.207 0.881 77 HB2 LYS 14 1HB LYS 14 -1.654 -7.347 -0.366 78 HB3 LYS 14 2HB LYS 14 -0.681 -6.682 -1.672 79 HG2 LYS 14 1HG LYS 14 1.271 -6.778 -0.445 80 HG3 LYS 14 2HG LYS 14 0.420 -6.781 1.101 81 HD2 LYS 14 1HD LYS 14 -0.520 -9.064 0.258 82 HD3 LYS 14 2HD LYS 14 0.876 -9.025 -0.822 83 HE2 LYS 14 1HE LYS 14 2.377 -9.247 0.887 84 HE3 LYS 14 2HE LYS 14 1.326 -8.453 2.058 85 HZ1 LYS 14 3HZ LYS 14 1.409 -10.717 2.651 86 HZ2 LYS 14 1HZ LYS 14 1.149 -11.237 1.062 87 HZ3 LYS 14 2HZ LYS 14 -0.102 -10.494 1.924 88 H CYS 15 H CYS 15 0.887 -4.621 0.984 89 HA CYS 15 HA CYS 15 1.560 -2.489 -0.919 90 HB2 CYS 15 1HB CYS 15 1.437 -1.889 1.485 91 HB3 CYS 15 2HB CYS 15 2.721 -3.046 1.819 92 H ASN 16 H ASN 16 2.867 -3.089 -2.510 93 HA ASN 16 HA ASN 16 4.437 -5.420 -2.518 94 HB2 ASN 16 1HB ASN 16 3.858 -4.610 -4.639 95 HB3 ASN 16 2HB ASN 16 4.356 -2.966 -4.251 96 HD21 ASN 16 1HD2 ASN 16 5.884 -6.171 -4.144 97 HD22 ASN 16 2HD2 ASN 16 7.301 -5.709 -5.017 98 H GLU 17 H GLU 17 5.156 -2.101 -1.637 99 HA GLU 17 HA GLU 17 7.903 -2.076 -1.630 100 HB2 GLU 17 1HB GLU 17 6.143 -0.888 0.521 101 HB3 GLU 17 2HB GLU 17 7.778 -0.387 0.115 102 HG2 GLU 17 1HG GLU 17 5.450 -0.229 -1.781 103 HG3 GLU 17 2HG GLU 17 5.990 1.101 -0.758 104 H CYS 18 H CYS 18 5.865 -2.960 1.165 105 HA CYS 18 HA CYS 18 8.147 -4.485 2.231 106 HB2 CYS 18 1HB CYS 18 6.882 -4.317 4.422 107 HB3 CYS 18 2HB CYS 18 7.526 -2.804 3.794 108 H GLY 19 H GLY 19 4.588 -4.573 2.020 109 HA2 GLY 19 1HA GLY 19 3.675 -6.648 0.985 110 HA3 GLY 19 2HA GLY 19 4.782 -7.523 2.032 111 H LYS 20 H LYS 20 2.750 -4.740 2.837 112 HA LYS 20 HA LYS 20 1.421 -6.419 4.859 113 HB2 LYS 20 1HB LYS 20 2.207 -3.527 4.815 114 HB3 LYS 20 2HB LYS 20 0.866 -4.049 5.827 115 HG2 LYS 20 1HG LYS 20 2.216 -5.275 7.223 116 HG3 LYS 20 2HG LYS 20 3.469 -5.491 5.998 117 HD2 LYS 20 1HD LYS 20 4.213 -3.244 6.249 118 HD3 LYS 20 2HD LYS 20 2.815 -2.826 7.242 119 HE2 LYS 20 1HE LYS 20 3.599 -4.128 9.056 120 HE3 LYS 20 2HE LYS 20 4.822 -4.913 8.057 121 HZ1 LYS 20 3HZ LYS 20 5.402 -2.261 7.848 122 HZ2 LYS 20 1HZ LYS 20 6.202 -3.374 8.840 123 HZ3 LYS 20 2HZ LYS 20 4.950 -2.428 9.469 124 H VAL 21 H VAL 21 -0.754 -6.590 4.887 125 HA VAL 21 HA VAL 21 -2.212 -5.315 2.687 126 HB VAL 21 HB VAL 21 -4.000 -6.969 3.203 127 HG11 VAL 21 1HG1 VAL 21 -3.054 -8.385 1.756 128 HG12 VAL 21 2HG1 VAL 21 -1.646 -7.324 1.830 129 HG13 VAL 21 3HG1 VAL 21 -1.726 -8.758 2.855 130 HG21 VAL 21 3HG2 VAL 21 -3.992 -7.985 5.180 131 HG22 VAL 21 1HG2 VAL 21 -2.568 -8.889 4.664 132 HG23 VAL 21 2HG2 VAL 21 -2.379 -7.369 5.539 133 H PHE 22 H PHE 22 -4.134 -4.189 3.007 134 HA PHE 22 HA PHE 22 -4.759 -3.468 5.792 135 HB2 PHE 22 1HB PHE 22 -4.684 -1.586 3.424 136 HB3 PHE 22 2HB PHE 22 -5.189 -1.157 5.055 137 HD1 PHE 22 HD1 PHE 22 -3.569 -0.929 6.842 138 HD2 PHE 22 HD2 PHE 22 -2.360 -1.913 2.881 139 HE1 PHE 22 HE1 PHE 22 -1.242 -0.374 7.418 140 HE2 PHE 22 HE2 PHE 22 -0.031 -1.361 3.451 141 HZ PHE 22 HZ PHE 22 0.531 -0.591 5.722 142 H THR 23 H THR 23 -6.952 -2.587 6.077 143 HA THR 23 HA THR 23 -8.856 -4.183 4.605 144 HB THR 23 HB THR 23 -9.114 -3.970 7.022 145 HG1 THR 23 HG1 THR 23 -11.367 -3.111 6.932 146 HG21 THR 23 3HG2 THR 23 -8.187 -1.665 7.197 147 HG22 THR 23 1HG2 THR 23 -9.694 -1.887 8.085 148 HG23 THR 23 2HG2 THR 23 -9.701 -1.050 6.533 149 H GLN 24 H GLN 24 -8.225 -0.727 5.110 150 HA GLN 24 HA GLN 24 -10.122 -0.116 2.949 151 HB2 GLN 24 1HB GLN 24 -9.123 1.433 5.306 152 HB3 GLN 24 2HB GLN 24 -9.693 2.299 3.885 153 HG2 GLN 24 1HG GLN 24 -11.853 1.183 4.063 154 HG3 GLN 24 2HG GLN 24 -11.283 0.300 5.478 155 HE21 GLN 24 1HE2 GLN 24 -12.602 3.212 4.290 156 HE22 GLN 24 2HE2 GLN 24 -12.684 4.060 5.793 157 H ASN 25 H ASN 25 -9.526 1.289 1.263 158 HA ASN 25 HA ASN 25 -6.950 0.915 0.228 159 HB2 ASN 25 1HB ASN 25 -8.542 1.374 -1.400 160 HB3 ASN 25 2HB ASN 25 -9.249 2.699 -0.481 161 HD21 ASN 25 1HD2 ASN 25 -8.964 4.549 -1.471 162 HD22 ASN 25 2HD2 ASN 25 -7.543 5.048 -2.319 163 H SER 26 H SER 26 -8.413 3.755 1.783 164 HA SER 26 HA SER 26 -6.318 5.540 1.537 165 HB2 SER 26 1HB SER 26 -8.202 5.234 3.889 166 HB3 SER 26 2HB SER 26 -7.234 6.665 3.531 167 HG SER 26 HG SER 26 -8.388 6.818 1.539 168 H HIS 27 H HIS 27 -6.768 2.948 3.877 169 HA HIS 27 HA HIS 27 -4.684 3.603 5.632 170 HB2 HIS 27 1HB HIS 27 -5.826 0.897 4.911 171 HB3 HIS 27 2HB HIS 27 -4.749 1.196 6.272 172 HD1 HIS 27 HD1 HIS 27 -6.624 0.386 7.894 173 HD2 HIS 27 HD2 HIS 27 -7.580 3.781 5.698 174 HE1 HIS 27 HE1 HIS 27 -8.659 1.358 9.009 175 H LEU 28 H LEU 28 -4.700 1.882 2.574 176 HA LEU 28 HA LEU 28 -1.913 1.126 2.813 177 HB2 LEU 28 1HB LEU 28 -3.341 -0.430 1.712 178 HB3 LEU 28 2HB LEU 28 -3.953 0.813 0.623 179 HG LEU 28 HG LEU 28 -1.676 0.943 -0.392 180 HD11 LEU 28 1HD1 LEU 28 -0.118 -0.889 0.026 181 HD12 LEU 28 2HD1 LEU 28 -1.180 -1.510 1.289 182 HD13 LEU 28 3HD1 LEU 28 -0.400 0.059 1.486 183 HD21 LEU 28 3HD2 LEU 28 -3.609 -1.215 -0.593 184 HD22 LEU 28 1HD2 LEU 28 -1.996 -1.704 -1.111 185 HD23 LEU 28 2HD2 LEU 28 -2.780 -0.315 -1.864 186 H VAL 29 H VAL 29 -3.746 2.981 0.373 187 HA VAL 29 HA VAL 29 -1.761 4.094 -1.074 188 HB VAL 29 HB VAL 29 -4.313 4.524 -1.179 189 HG11 VAL 29 1HG1 VAL 29 -3.534 7.029 0.291 190 HG12 VAL 29 2HG1 VAL 29 -5.147 6.497 -0.190 191 HG13 VAL 29 3HG1 VAL 29 -4.283 5.649 1.093 192 HG21 VAL 29 3HG2 VAL 29 -3.665 5.666 -2.970 193 HG22 VAL 29 1HG2 VAL 29 -3.296 7.063 -1.958 194 HG23 VAL 29 2HG2 VAL 29 -2.057 5.848 -2.271 195 H ARG 30 H ARG 30 -2.725 5.057 2.170 196 HA ARG 30 HA ARG 30 -0.913 7.304 2.226 197 HB2 ARG 30 1HB ARG 30 -2.774 6.039 4.213 198 HB3 ARG 30 2HB ARG 30 -1.578 7.215 4.739 199 HG2 ARG 30 1HG ARG 30 -2.564 8.943 3.523 200 HG3 ARG 30 2HG ARG 30 -3.477 7.826 2.506 201 HD2 ARG 30 1HD ARG 30 -5.011 8.808 4.040 202 HD3 ARG 30 2HD ARG 30 -4.746 7.142 4.553 203 HE ARG 30 HE ARG 30 -2.957 8.456 6.043 204 HH11 ARG 30 1HH1 ARG 30 -6.324 9.070 5.407 205 HH12 ARG 30 2HH1 ARG 30 -6.612 9.818 6.943 206 HH21 ARG 30 1HH2 ARG 30 -3.324 9.439 8.068 207 HH22 ARG 30 2HH2 ARG 30 -4.905 10.028 8.456 208 H HIS 31 H HIS 31 -1.059 4.053 3.620 209 HA HIS 31 HA HIS 31 1.173 4.144 5.258 210 HB2 HIS 31 1HB HIS 31 -0.009 2.187 5.525 211 HB3 HIS 31 2HB HIS 31 -0.251 1.971 3.794 212 HD1 HIS 31 HD1 HIS 31 2.164 1.251 6.549 213 HD2 HIS 31 HD2 HIS 31 1.792 0.584 2.465 214 HE1 HIS 31 HE1 HIS 31 3.939 -0.437 5.979 215 H ARG 32 H ARG 32 1.025 3.096 1.854 216 HA ARG 32 HA ARG 32 3.576 2.419 1.321 217 HB2 ARG 32 1HB ARG 32 1.941 4.264 -0.430 218 HB3 ARG 32 2HB ARG 32 3.272 3.240 -0.955 219 HG2 ARG 32 1HG ARG 32 1.800 1.316 0.008 220 HG3 ARG 32 2HG ARG 32 0.495 2.489 -0.180 221 HD2 ARG 32 1HD ARG 32 2.384 1.606 -2.359 222 HD3 ARG 32 2HD ARG 32 0.732 1.028 -2.145 223 HE ARG 32 HE ARG 32 0.355 3.666 -2.332 224 HH11 ARG 32 1HH1 ARG 32 2.253 1.473 -4.258 225 HH12 ARG 32 2HH1 ARG 32 2.071 2.391 -5.717 226 HH21 ARG 32 1HH2 ARG 32 0.108 4.883 -4.246 227 HH22 ARG 32 2HH2 ARG 32 0.852 4.330 -5.708 228 H GLY 33 H GLY 33 2.462 5.584 2.186 229 HA2 GLY 33 1HA GLY 33 4.496 7.202 1.198 230 HA3 GLY 33 2HA GLY 33 3.597 7.518 2.675 231 H ILE 34 H ILE 34 4.400 5.366 4.234 232 HA ILE 34 HA ILE 34 6.625 6.236 5.519 233 HB ILE 34 HB ILE 34 6.881 4.053 6.508 234 HG12 ILE 34 1HG1 ILE 34 4.867 2.833 4.671 235 HG13 ILE 34 2HG1 ILE 34 6.532 2.970 4.116 236 HG21 ILE 34 1HG2 ILE 34 4.202 3.590 6.672 237 HG22 ILE 34 2HG2 ILE 34 5.078 4.798 7.610 238 HG23 ILE 34 3HG2 ILE 34 4.245 5.266 6.128 239 HD11 ILE 34 3HD1 ILE 34 5.750 0.808 5.286 240 HD12 ILE 34 1HD1 ILE 34 7.317 1.498 5.707 241 HD13 ILE 34 2HD1 ILE 34 5.931 1.745 6.769 242 H HIS 35 H HIS 35 6.518 4.524 2.517 243 HA HIS 35 HA HIS 35 9.348 3.872 2.569 244 HB2 HIS 35 1HB HIS 35 7.326 3.534 0.345 245 HB3 HIS 35 2HB HIS 35 8.952 2.859 0.379 246 HD1 HIS 35 HD1 HIS 35 9.333 0.761 1.801 247 HD2 HIS 35 HD2 HIS 35 5.451 2.228 1.996 248 HE1 HIS 35 HE1 HIS 35 7.988 -1.043 2.924 249 H THR 36 H THR 36 7.152 6.021 0.804 250 HA THR 36 HA THR 36 9.502 7.590 -0.032 251 HB THR 36 HB THR 36 8.624 6.470 -1.998 252 HG1 THR 36 HG1 THR 36 9.222 8.390 -2.727 253 HG21 THR 36 3HG2 THR 36 5.999 7.879 -1.587 254 HG22 THR 36 1HG2 THR 36 6.283 6.243 -0.994 255 HG23 THR 36 2HG2 THR 36 6.387 6.586 -2.721 256 H GLY 37 H GLY 37 9.490 9.481 0.986 257 HA2 GLY 37 1HA GLY 37 6.883 10.803 1.427 258 HA3 GLY 37 2HA GLY 37 8.185 10.859 2.606 259 H GLU 38 H GLU 38 10.090 12.068 2.104 260 HA GLU 38 HA GLU 38 9.501 14.334 0.353 261 HB2 GLU 38 1HB GLU 38 10.245 14.601 2.778 262 HB3 GLU 38 2HB GLU 38 11.834 14.073 2.244 263 HG2 GLU 38 1HG GLU 38 11.744 16.480 2.359 264 HG3 GLU 38 2HG GLU 38 11.933 15.956 0.686 265 H LYS 39 H LYS 39 10.088 12.021 -1.027 266 HA LYS 39 HA LYS 39 11.572 11.010 -2.467 267 HB2 LYS 39 1HB LYS 39 10.800 13.342 -3.414 268 HB3 LYS 39 2HB LYS 39 12.493 13.762 -3.190 269 HG2 LYS 39 1HG LYS 39 13.209 12.338 -4.829 270 HG3 LYS 39 2HG LYS 39 11.830 11.252 -4.641 271 HD2 LYS 39 1HD LYS 39 10.390 13.057 -5.612 272 HD3 LYS 39 2HD LYS 39 11.864 13.962 -5.963 273 HE2 LYS 39 1HE LYS 39 11.416 12.854 -7.960 274 HE3 LYS 39 2HE LYS 39 12.629 11.834 -7.187 275 HZ1 LYS 39 3HZ LYS 39 10.836 10.401 -6.391 276 HZ2 LYS 39 1HZ LYS 39 10.846 10.499 -8.080 277 HZ3 LYS 39 2HZ LYS 39 9.697 11.363 -7.189 278 HA PRO 40 HA PRO 40 15.304 11.947 0.275 279 HB2 PRO 40 1HB PRO 40 15.335 9.575 1.594 280 HB3 PRO 40 2HB PRO 40 14.434 10.982 2.170 281 HG2 PRO 40 1HG PRO 40 13.451 8.592 0.660 282 HG3 PRO 40 2HG PRO 40 12.713 9.424 2.041 283 HD2 PRO 40 1HD PRO 40 11.889 9.820 -0.508 284 HD3 PRO 40 2HD PRO 40 11.833 11.098 0.724 285 H SER 41 H SER 41 16.365 11.798 -1.797 286 HA SER 41 HA SER 41 17.618 9.175 -2.199 287 HB2 SER 41 1HB SER 41 16.186 10.837 -4.244 288 HB3 SER 41 2HB SER 41 17.550 9.834 -4.736 289 HG SER 41 HG SER 41 15.662 8.643 -4.931 290 H GLY 42 H GLY 42 19.589 9.370 -3.646 291 HA2 GLY 42 1HA GLY 42 20.867 11.842 -4.073 292 HA3 GLY 42 2HA GLY 42 21.399 11.194 -2.529 293 HA PRO 43 HA PRO 43 22.837 8.196 -6.085 294 HB2 PRO 43 1HB PRO 43 23.039 9.376 -8.522 295 HB3 PRO 43 2HB PRO 43 21.583 8.531 -7.980 296 HG2 PRO 43 1HG PRO 43 22.171 11.467 -8.008 297 HG3 PRO 43 2HG PRO 43 20.683 10.619 -8.469 298 HD2 PRO 43 1HD PRO 43 20.977 11.848 -6.074 299 HD3 PRO 43 2HD PRO 43 19.987 10.389 -6.283 300 H SER 44 H SER 44 23.658 11.492 -5.579 301 HA SER 44 HA SER 44 26.333 11.262 -6.665 302 HB2 SER 44 1HB SER 44 24.989 13.477 -5.099 303 HB3 SER 44 2HB SER 44 26.611 13.577 -5.784 304 HG SER 44 HG SER 44 24.134 13.396 -7.128 305 H SER 45 H SER 45 28.181 10.928 -5.548 306 HA SER 45 HA SER 45 28.107 10.898 -2.627 307 HB2 SER 45 1HB SER 45 27.602 8.574 -3.515 308 HB3 SER 45 2HB SER 45 29.237 8.561 -4.175 309 HG SER 45 HG SER 45 29.918 9.035 -1.950 310 H GLY 46 H GLY 46 30.044 11.382 -1.656 311 HA2 GLY 46 1HA GLY 46 32.582 11.203 -2.176 312 HA3 GLY 46 2HA GLY 46 32.155 12.293 -3.487 Start of MODEL 5 1 H1 GLY 1 H GLY 1 20.395 -16.737 1.976 2 HA2 GLY 1 1HA GLY 1 18.494 -17.605 -0.011 3 HA3 GLY 1 2HA GLY 1 19.480 -18.911 0.630 4 H SER 2 H SER 2 16.541 -17.804 0.874 5 HA SER 2 HA SER 2 16.063 -18.913 3.440 6 HB2 SER 2 1HB SER 2 15.343 -16.954 4.652 7 HB3 SER 2 2HB SER 2 16.991 -16.675 4.089 8 HG SER 2 HG SER 2 16.289 -15.051 2.969 9 H SER 3 H SER 3 14.340 -20.050 2.818 10 HA SER 3 HA SER 3 12.046 -18.578 1.725 11 HB2 SER 3 1HB SER 3 13.153 -19.726 -0.153 12 HB3 SER 3 2HB SER 3 13.023 -21.259 0.709 13 HG SER 3 HG SER 3 11.326 -20.600 -0.932 14 H GLY 4 H GLY 4 9.984 -19.584 2.117 15 HA2 GLY 4 1HA GLY 4 9.643 -21.939 3.622 16 HA3 GLY 4 2HA GLY 4 9.690 -20.571 4.723 17 H SER 5 H SER 5 7.466 -21.452 5.150 18 HA SER 5 HA SER 5 5.455 -20.975 3.148 19 HB2 SER 5 1HB SER 5 5.260 -22.781 4.860 20 HB3 SER 5 2HB SER 5 5.091 -21.538 6.100 21 HG SER 5 HG SER 5 3.151 -20.964 5.279 22 H SER 6 H SER 6 4.623 -19.061 2.686 23 HA SER 6 HA SER 6 4.400 -17.057 4.830 24 HB2 SER 6 1HB SER 6 5.016 -15.293 3.252 25 HB3 SER 6 2HB SER 6 6.306 -16.491 3.358 26 HG SER 6 HG SER 6 4.304 -16.618 1.367 27 H GLY 7 H GLY 7 2.816 -15.310 4.290 28 HA2 GLY 7 1HA GLY 7 0.946 -14.665 2.824 29 HA3 GLY 7 2HA GLY 7 0.615 -16.381 2.633 30 H THR 8 H THR 8 -0.005 -13.576 4.452 31 HA THR 8 HA THR 8 -1.635 -15.154 6.331 32 HB THR 8 HB THR 8 -0.265 -12.555 7.035 33 HG1 THR 8 HG1 THR 8 1.347 -14.078 6.878 34 HG21 THR 8 3HG2 THR 8 -2.040 -14.474 8.474 35 HG22 THR 8 1HG2 THR 8 -2.034 -12.711 8.502 36 HG23 THR 8 2HG2 THR 8 -0.799 -13.611 9.383 37 H GLY 9 H GLY 9 -3.679 -14.844 5.701 38 HA2 GLY 9 1HA GLY 9 -5.647 -13.543 5.703 39 HA3 GLY 9 2HA GLY 9 -4.663 -12.095 5.543 40 H GLU 10 H GLU 10 -3.179 -12.497 3.351 41 HA GLU 10 HA GLU 10 -3.224 -12.322 1.084 42 HB2 GLU 10 1HB GLU 10 -3.954 -14.807 1.546 43 HB3 GLU 10 2HB GLU 10 -5.509 -14.248 0.945 44 HG2 GLU 10 1HG GLU 10 -2.940 -13.914 -0.578 45 HG3 GLU 10 2HG GLU 10 -3.998 -15.314 -0.750 46 H LYS 11 H LYS 11 -4.680 -10.398 2.452 47 HA LYS 11 HA LYS 11 -7.314 -10.027 1.555 48 HB2 LYS 11 1HB LYS 11 -5.194 -8.242 2.670 49 HB3 LYS 11 2HB LYS 11 -6.621 -7.506 1.954 50 HG2 LYS 11 1HG LYS 11 -7.916 -9.142 3.504 51 HG3 LYS 11 2HG LYS 11 -6.391 -9.211 4.391 52 HD2 LYS 11 1HD LYS 11 -6.525 -7.026 5.059 53 HD3 LYS 11 2HD LYS 11 -7.463 -6.538 3.646 54 HE2 LYS 11 1HE LYS 11 -8.965 -6.411 5.444 55 HE3 LYS 11 2HE LYS 11 -9.359 -7.925 4.631 56 HZ1 LYS 11 3HZ LYS 11 -8.553 -7.514 7.303 57 HZ2 LYS 11 1HZ LYS 11 -7.428 -8.514 6.532 58 HZ3 LYS 11 2HZ LYS 11 -9.063 -8.944 6.558 59 HA PRO 12 HA PRO 12 -6.988 -8.671 -2.605 60 HB2 PRO 12 1HB PRO 12 -8.868 -6.715 -2.719 61 HB3 PRO 12 2HB PRO 12 -9.273 -8.432 -2.602 62 HG2 PRO 12 1HG PRO 12 -9.184 -6.354 -0.448 63 HG3 PRO 12 2HG PRO 12 -10.392 -7.621 -0.731 64 HD2 PRO 12 1HD PRO 12 -8.446 -7.854 1.138 65 HD3 PRO 12 2HD PRO 12 -9.096 -9.252 0.257 66 H TYR 13 H TYR 13 -6.259 -6.558 -0.034 67 HA TYR 13 HA TYR 13 -4.978 -4.679 -1.909 68 HB2 TYR 13 1HB TYR 13 -6.445 -4.139 0.661 69 HB3 TYR 13 2HB TYR 13 -5.241 -3.010 0.049 70 HD1 TYR 13 HD1 TYR 13 -5.653 -1.727 -1.978 71 HD2 TYR 13 HD2 TYR 13 -8.570 -4.432 -0.471 72 HE1 TYR 13 HE1 TYR 13 -7.348 -0.703 -3.437 73 HE2 TYR 13 HE2 TYR 13 -10.273 -3.417 -1.927 74 HH TYR 13 HH TYR 13 -9.725 -0.478 -3.622 75 H LYS 14 H LYS 14 -2.848 -4.835 -1.827 76 HA LYS 14 HA LYS 14 -1.542 -5.202 0.774 77 HB2 LYS 14 1HB LYS 14 -1.749 -7.358 -0.669 78 HB3 LYS 14 2HB LYS 14 -0.490 -6.623 -1.653 79 HG2 LYS 14 1HG LYS 14 1.079 -6.717 0.066 80 HG3 LYS 14 2HG LYS 14 -0.158 -6.933 1.307 81 HD2 LYS 14 1HD LYS 14 -0.654 -9.161 0.424 82 HD3 LYS 14 2HD LYS 14 0.576 -8.943 -0.824 83 HE2 LYS 14 1HE LYS 14 1.590 -10.229 0.879 84 HE3 LYS 14 2HE LYS 14 2.234 -8.597 1.052 85 HZ1 LYS 14 3HZ LYS 14 1.192 -8.296 3.017 86 HZ2 LYS 14 1HZ LYS 14 1.282 -9.984 3.085 87 HZ3 LYS 14 2HZ LYS 14 -0.152 -9.233 2.596 88 H CYS 15 H CYS 15 0.699 -4.517 0.809 89 HA CYS 15 HA CYS 15 1.111 -2.206 -0.903 90 HB2 CYS 15 1HB CYS 15 1.461 -1.985 1.520 91 HB3 CYS 15 2HB CYS 15 2.715 -3.220 1.455 92 H ASN 16 H ASN 16 2.333 -2.238 -2.662 93 HA ASN 16 HA ASN 16 3.909 -4.581 -3.291 94 HB2 ASN 16 1HB ASN 16 2.412 -3.085 -4.875 95 HB3 ASN 16 2HB ASN 16 3.893 -2.145 -5.023 96 HD21 ASN 16 1HD2 ASN 16 3.110 -5.605 -4.876 97 HD22 ASN 16 2HD2 ASN 16 3.995 -6.038 -6.295 98 H GLU 17 H GLU 17 4.883 -3.114 -1.076 99 HA GLU 17 HA GLU 17 7.500 -2.300 -2.138 100 HB2 GLU 17 1HB GLU 17 6.084 -0.922 0.149 101 HB3 GLU 17 2HB GLU 17 7.648 -0.492 -0.528 102 HG2 GLU 17 1HG GLU 17 5.013 -0.342 -1.974 103 HG3 GLU 17 2HG GLU 17 5.882 1.019 -1.268 104 H CYS 18 H CYS 18 5.655 -3.355 0.697 105 HA CYS 18 HA CYS 18 8.077 -4.739 1.649 106 HB2 CYS 18 1HB CYS 18 7.109 -4.449 3.966 107 HB3 CYS 18 2HB CYS 18 7.675 -2.970 3.197 108 H GLY 19 H GLY 19 4.517 -4.733 1.850 109 HA2 GLY 19 1HA GLY 19 3.530 -6.887 0.969 110 HA3 GLY 19 2HA GLY 19 4.633 -7.674 2.089 111 H LYS 20 H LYS 20 2.599 -4.797 2.523 112 HA LYS 20 HA LYS 20 1.292 -6.188 4.768 113 HB2 LYS 20 1HB LYS 20 2.795 -4.032 5.074 114 HB3 LYS 20 2HB LYS 20 1.324 -3.208 4.574 115 HG2 LYS 20 1HG LYS 20 0.176 -3.812 6.466 116 HG3 LYS 20 2HG LYS 20 1.180 -5.236 6.752 117 HD2 LYS 20 1HD LYS 20 2.997 -3.884 7.520 118 HD3 LYS 20 2HD LYS 20 2.175 -2.403 7.024 119 HE2 LYS 20 1HE LYS 20 1.862 -2.519 9.346 120 HE3 LYS 20 2HE LYS 20 0.337 -3.074 8.657 121 HZ1 LYS 20 3HZ LYS 20 2.410 -5.045 9.327 122 HZ2 LYS 20 1HZ LYS 20 0.728 -5.227 9.290 123 HZ3 LYS 20 2HZ LYS 20 1.461 -4.396 10.568 124 H VAL 21 H VAL 21 -0.921 -6.068 4.990 125 HA VAL 21 HA VAL 21 -2.363 -5.029 2.642 126 HB VAL 21 HB VAL 21 -4.191 -6.592 3.326 127 HG11 VAL 21 1HG1 VAL 21 -2.490 -7.132 1.590 128 HG12 VAL 21 2HG1 VAL 21 -1.558 -7.973 2.830 129 HG13 VAL 21 3HG1 VAL 21 -3.167 -8.548 2.392 130 HG21 VAL 21 3HG2 VAL 21 -2.110 -7.517 5.300 131 HG22 VAL 21 1HG2 VAL 21 -3.717 -6.882 5.651 132 HG23 VAL 21 2HG2 VAL 21 -3.541 -8.451 4.865 133 H PHE 22 H PHE 22 -4.589 -4.249 3.062 134 HA PHE 22 HA PHE 22 -5.077 -3.228 5.745 135 HB2 PHE 22 1HB PHE 22 -4.931 -1.394 3.343 136 HB3 PHE 22 2HB PHE 22 -5.389 -0.925 4.976 137 HD1 PHE 22 HD2 PHE 22 -2.611 -1.991 2.825 138 HD2 PHE 22 HD1 PHE 22 -3.750 -0.567 6.671 139 HE1 PHE 22 HE2 PHE 22 -0.252 -1.525 3.347 140 HE2 PHE 22 HE1 PHE 22 -1.393 -0.098 7.199 141 HZ PHE 22 HZ PHE 22 0.360 -0.578 5.536 142 H THR 23 H THR 23 -7.221 -2.902 6.202 143 HA THR 23 HA THR 23 -9.111 -4.187 4.492 144 HB THR 23 HB THR 23 -9.453 -4.398 6.849 145 HG1 THR 23 HG1 THR 23 -11.332 -3.933 5.355 146 HG21 THR 23 3HG2 THR 23 -10.255 -1.741 7.575 147 HG22 THR 23 1HG2 THR 23 -8.611 -1.712 6.939 148 HG23 THR 23 2HG2 THR 23 -9.013 -2.763 8.297 149 H GLN 24 H GLN 24 -7.855 -1.079 4.542 150 HA GLN 24 HA GLN 24 -10.084 -0.112 2.893 151 HB2 GLN 24 1HB GLN 24 -8.704 1.390 5.118 152 HB3 GLN 24 2HB GLN 24 -9.700 2.172 3.898 153 HG2 GLN 24 1HG GLN 24 -10.581 0.128 5.920 154 HG3 GLN 24 2HG GLN 24 -11.000 1.840 5.878 155 HE21 GLN 24 1HE2 GLN 24 -12.120 2.553 3.851 156 HE22 GLN 24 2HE2 GLN 24 -13.314 1.490 3.197 157 H ASN 25 H ASN 25 -9.420 0.539 0.961 158 HA ASN 25 HA ASN 25 -6.832 0.423 0.039 159 HB2 ASN 25 1HB ASN 25 -8.436 0.494 -1.643 160 HB3 ASN 25 2HB ASN 25 -9.275 1.866 -0.925 161 HD21 ASN 25 1HD2 ASN 25 -6.071 1.065 -2.227 162 HD22 ASN 25 2HD2 ASN 25 -5.875 2.539 -3.108 163 H SER 26 H SER 26 -8.606 3.395 0.903 164 HA SER 26 HA SER 26 -6.741 5.307 0.496 165 HB2 SER 26 1HB SER 26 -7.735 6.580 2.338 166 HB3 SER 26 2HB SER 26 -8.989 5.749 1.419 167 HG SER 26 HG SER 26 -9.552 4.948 3.271 168 H HIS 27 H HIS 27 -7.009 3.470 3.543 169 HA HIS 27 HA HIS 27 -4.827 4.480 4.872 170 HB2 HIS 27 1HB HIS 27 -5.973 1.688 4.865 171 HB3 HIS 27 2HB HIS 27 -4.691 2.186 5.964 172 HD1 HIS 27 HD1 HIS 27 -7.474 1.276 6.984 173 HD2 HIS 27 HD2 HIS 27 -6.362 5.229 6.355 174 HE1 HIS 27 HE1 HIS 27 -8.994 2.643 8.448 175 H LEU 28 H LEU 28 -4.832 1.580 2.794 176 HA LEU 28 HA LEU 28 -2.211 0.867 2.878 177 HB2 LEU 28 1HB LEU 28 -3.746 -0.425 1.608 178 HB3 LEU 28 2HB LEU 28 -4.090 0.926 0.531 179 HG LEU 28 HG LEU 28 -1.814 0.749 -0.389 180 HD11 LEU 28 1HD1 LEU 28 -0.264 -0.819 0.273 181 HD12 LEU 28 2HD1 LEU 28 -1.477 -1.869 1.004 182 HD13 LEU 28 3HD1 LEU 28 -0.999 -0.378 1.814 183 HD21 LEU 28 3HD2 LEU 28 -2.883 -0.489 -1.893 184 HD22 LEU 28 1HD2 LEU 28 -3.943 -1.172 -0.661 185 HD23 LEU 28 2HD2 LEU 28 -2.380 -1.919 -0.990 186 H VAL 29 H VAL 29 -3.534 3.110 0.435 187 HA VAL 29 HA VAL 29 -1.211 3.899 -0.777 188 HB VAL 29 HB VAL 29 -3.580 5.654 -0.117 189 HG11 VAL 29 1HG1 VAL 29 -2.848 7.116 -1.873 190 HG12 VAL 29 2HG1 VAL 29 -1.519 6.909 -0.729 191 HG13 VAL 29 3HG1 VAL 29 -1.504 6.044 -2.267 192 HG21 VAL 29 3HG2 VAL 29 -4.155 3.636 -1.385 193 HG22 VAL 29 1HG2 VAL 29 -4.349 5.093 -2.360 194 HG23 VAL 29 2HG2 VAL 29 -2.943 4.055 -2.596 195 H ARG 30 H ARG 30 -2.614 5.214 2.203 196 HA ARG 30 HA ARG 30 -0.709 7.248 2.602 197 HB2 ARG 30 1HB ARG 30 -2.306 5.752 4.690 198 HB3 ARG 30 2HB ARG 30 -1.521 7.312 4.904 199 HG2 ARG 30 1HG ARG 30 -3.579 6.940 2.769 200 HG3 ARG 30 2HG ARG 30 -4.060 7.218 4.445 201 HD2 ARG 30 1HD ARG 30 -4.007 9.362 3.560 202 HD3 ARG 30 2HD ARG 30 -2.430 9.218 4.337 203 HE ARG 30 HE ARG 30 -2.485 8.504 1.537 204 HH11 ARG 30 1HH1 ARG 30 -1.989 11.025 3.886 205 HH12 ARG 30 2HH1 ARG 30 -1.038 12.008 2.823 206 HH21 ARG 30 1HH2 ARG 30 -1.234 9.789 0.128 207 HH22 ARG 30 2HH2 ARG 30 -0.610 11.305 0.685 208 H HIS 31 H HIS 31 -0.877 3.916 3.817 209 HA HIS 31 HA HIS 31 1.297 3.887 5.502 210 HB2 HIS 31 1HB HIS 31 0.144 1.893 5.537 211 HB3 HIS 31 2HB HIS 31 -0.008 1.827 3.783 212 HD1 HIS 31 HD1 HIS 31 2.334 0.970 6.576 213 HD2 HIS 31 HD2 HIS 31 2.082 0.546 2.451 214 HE1 HIS 31 HE1 HIS 31 4.162 -0.640 5.953 215 H ARG 32 H ARG 32 1.292 3.296 1.994 216 HA ARG 32 HA ARG 32 3.861 2.648 1.479 217 HB2 ARG 32 1HB ARG 32 1.948 4.428 0.016 218 HB3 ARG 32 2HB ARG 32 3.591 4.246 -0.584 219 HG2 ARG 32 1HG ARG 32 3.300 2.012 -1.095 220 HG3 ARG 32 2HG ARG 32 1.946 1.829 0.022 221 HD2 ARG 32 1HD ARG 32 1.025 1.795 -2.159 222 HD3 ARG 32 2HD ARG 32 0.647 3.379 -1.482 223 HE ARG 32 HE ARG 32 3.063 3.289 -3.058 224 HH11 ARG 32 1HH1 ARG 32 -0.381 3.800 -3.064 225 HH12 ARG 32 2HH1 ARG 32 -0.370 4.739 -4.520 226 HH21 ARG 32 1HH2 ARG 32 3.090 4.525 -4.975 227 HH22 ARG 32 2HH2 ARG 32 1.604 5.150 -5.606 228 H GLY 33 H GLY 33 2.741 5.665 2.749 229 HA2 GLY 33 1HA GLY 33 4.784 7.410 2.066 230 HA3 GLY 33 2HA GLY 33 3.880 7.481 3.571 231 H ILE 34 H ILE 34 4.691 5.061 4.718 232 HA ILE 34 HA ILE 34 6.992 5.776 6.066 233 HB ILE 34 HB ILE 34 7.116 3.517 6.899 234 HG12 ILE 34 1HG1 ILE 34 4.957 2.567 5.070 235 HG13 ILE 34 2HG1 ILE 34 6.602 2.636 4.448 236 HG21 ILE 34 1HG2 ILE 34 4.474 3.203 7.224 237 HG22 ILE 34 2HG2 ILE 34 5.415 4.425 8.078 238 HG23 ILE 34 3HG2 ILE 34 4.503 4.864 6.634 239 HD11 ILE 34 3HD1 ILE 34 5.706 1.122 6.888 240 HD12 ILE 34 1HD1 ILE 34 6.058 0.428 5.306 241 HD13 ILE 34 2HD1 ILE 34 7.348 1.178 6.247 242 H HIS 35 H HIS 35 6.700 4.545 2.903 243 HA HIS 35 HA HIS 35 9.406 3.491 2.800 244 HB2 HIS 35 1HB HIS 35 7.267 3.770 0.682 245 HB3 HIS 35 2HB HIS 35 8.854 3.062 0.396 246 HD1 HIS 35 HD1 HIS 35 9.118 0.632 0.922 247 HD2 HIS 35 HD2 HIS 35 5.653 2.239 2.555 248 HE1 HIS 35 HE1 HIS 35 7.842 -1.326 1.851 249 H THR 36 H THR 36 7.555 6.103 1.242 250 HA THR 36 HA THR 36 9.888 7.247 0.030 251 HB THR 36 HB THR 36 7.708 7.510 -1.037 252 HG1 THR 36 HG1 THR 36 9.226 9.713 -0.235 253 HG21 THR 36 3HG2 THR 36 6.965 8.477 1.622 254 HG22 THR 36 1HG2 THR 36 5.959 7.795 0.344 255 HG23 THR 36 2HG2 THR 36 6.390 9.504 0.309 256 H GLY 37 H GLY 37 10.926 9.182 0.560 257 HA2 GLY 37 1HA GLY 37 10.172 10.643 2.938 258 HA3 GLY 37 2HA GLY 37 11.638 9.691 3.119 259 H GLU 38 H GLU 38 10.477 11.468 0.280 260 HA GLU 38 HA GLU 38 11.712 12.832 -1.121 261 HB2 GLU 38 1HB GLU 38 12.006 15.033 -0.149 262 HB3 GLU 38 2HB GLU 38 10.498 14.332 0.423 263 HG2 GLU 38 1HG GLU 38 11.298 14.023 2.566 264 HG3 GLU 38 2HG GLU 38 12.983 14.055 2.051 265 H LYS 39 H LYS 39 13.355 10.761 -0.199 266 HA LYS 39 HA LYS 39 15.944 12.144 -0.148 267 HB2 LYS 39 1HB LYS 39 16.830 10.493 1.437 268 HB3 LYS 39 2HB LYS 39 15.500 11.406 2.138 269 HG2 LYS 39 1HG LYS 39 14.037 9.593 2.022 270 HG3 LYS 39 2HG LYS 39 15.051 8.734 0.860 271 HD2 LYS 39 1HD LYS 39 16.807 8.788 2.797 272 HD3 LYS 39 2HD LYS 39 15.387 9.046 3.814 273 HE2 LYS 39 1HE LYS 39 15.628 6.783 1.841 274 HE3 LYS 39 2HE LYS 39 16.107 6.649 3.533 275 HZ1 LYS 39 3HZ LYS 39 13.542 7.730 3.475 276 HZ2 LYS 39 1HZ LYS 39 14.011 6.200 4.025 277 HZ3 LYS 39 2HZ LYS 39 13.539 6.412 2.415 278 HA PRO 40 HA PRO 40 16.907 9.442 -3.487 279 HB2 PRO 40 1HB PRO 40 19.617 9.541 -3.357 280 HB3 PRO 40 2HB PRO 40 18.634 10.882 -3.958 281 HG2 PRO 40 1HG PRO 40 19.865 10.497 -1.256 282 HG3 PRO 40 2HG PRO 40 19.795 11.960 -2.255 283 HD2 PRO 40 1HD PRO 40 18.114 11.534 -0.176 284 HD3 PRO 40 2HD PRO 40 17.630 12.438 -1.625 285 H SER 41 H SER 41 16.543 7.320 -3.304 286 HA SER 41 HA SER 41 18.326 5.749 -1.563 287 HB2 SER 41 1HB SER 41 15.345 5.526 -1.932 288 HB3 SER 41 2HB SER 41 16.304 4.158 -1.367 289 HG SER 41 HG SER 41 16.255 6.722 -0.149 290 H GLY 42 H GLY 42 18.049 3.292 -2.202 291 HA2 GLY 42 1HA GLY 42 17.401 2.074 -4.403 292 HA3 GLY 42 2HA GLY 42 18.566 3.194 -5.093 293 HA PRO 43 HA PRO 43 20.706 -0.753 -3.774 294 HB2 PRO 43 1HB PRO 43 21.790 -1.300 -6.202 295 HB3 PRO 43 2HB PRO 43 20.185 -1.862 -5.717 296 HG2 PRO 43 1HG PRO 43 20.937 0.487 -7.414 297 HG3 PRO 43 2HG PRO 43 19.639 -0.696 -7.654 298 HD2 PRO 43 1HD PRO 43 19.191 1.769 -6.627 299 HD3 PRO 43 2HD PRO 43 18.237 0.349 -6.153 300 H SER 44 H SER 44 22.348 0.063 -2.588 301 HA SER 44 HA SER 44 24.025 2.159 -3.159 302 HB2 SER 44 1HB SER 44 25.444 1.380 -1.422 303 HB3 SER 44 2HB SER 44 23.826 0.833 -0.985 304 HG SER 44 HG SER 44 24.414 -1.181 -1.284 305 H SER 45 H SER 45 25.678 2.518 -4.496 306 HA SER 45 HA SER 45 26.563 0.327 -6.212 307 HB2 SER 45 1HB SER 45 25.791 2.620 -7.085 308 HB3 SER 45 2HB SER 45 27.345 3.223 -6.507 309 HG SER 45 HG SER 45 27.578 2.622 -8.642 310 H GLY 46 H GLY 46 28.963 0.520 -6.906 311 HA2 GLY 46 1HA GLY 46 31.137 1.418 -5.892 312 HA3 GLY 46 2HA GLY 46 30.548 0.653 -4.423 Start of MODEL 6 1 H1 GLY 1 H GLY 1 9.618 -28.312 -6.765 2 HA2 GLY 1 1HA GLY 1 10.058 -26.278 -5.728 3 HA3 GLY 1 2HA GLY 1 9.249 -25.692 -7.174 4 H SER 2 H SER 2 9.346 -24.769 -4.292 5 HA SER 2 HA SER 2 6.565 -24.034 -4.131 6 HB2 SER 2 1HB SER 2 6.859 -26.326 -2.953 7 HB3 SER 2 2HB SER 2 7.680 -25.403 -1.695 8 HG SER 2 HG SER 2 5.768 -24.942 -0.987 9 H SER 3 H SER 3 6.476 -21.988 -3.495 10 HA SER 3 HA SER 3 8.678 -20.939 -1.838 11 HB2 SER 3 1HB SER 3 7.097 -19.406 -3.914 12 HB3 SER 3 2HB SER 3 8.481 -18.816 -2.994 13 HG SER 3 HG SER 3 8.854 -19.635 -5.224 14 H GLY 4 H GLY 4 7.515 -21.325 0.086 15 HA2 GLY 4 1HA GLY 4 4.936 -20.749 0.736 16 HA3 GLY 4 2HA GLY 4 6.271 -20.521 1.856 17 H SER 5 H SER 5 3.833 -18.981 1.675 18 HA SER 5 HA SER 5 5.027 -16.344 1.144 19 HB2 SER 5 1HB SER 5 2.431 -17.456 0.177 20 HB3 SER 5 2HB SER 5 2.491 -15.748 0.612 21 HG SER 5 HG SER 5 3.419 -15.425 -1.232 22 H SER 6 H SER 6 5.039 -17.590 3.625 23 HA SER 6 HA SER 6 4.357 -17.406 5.803 24 HB2 SER 6 1HB SER 6 4.194 -15.130 6.590 25 HB3 SER 6 2HB SER 6 5.397 -15.180 5.302 26 HG SER 6 HG SER 6 4.238 -13.696 4.389 27 H GLY 7 H GLY 7 2.336 -18.473 4.223 28 HA2 GLY 7 1HA GLY 7 0.163 -18.931 5.405 29 HA3 GLY 7 2HA GLY 7 -0.085 -17.193 5.332 30 H THR 8 H THR 8 -2.121 -18.097 4.296 31 HA THR 8 HA THR 8 -1.732 -18.052 1.393 32 HB THR 8 HB THR 8 -1.964 -20.418 1.947 33 HG1 THR 8 HG1 THR 8 -4.215 -19.199 0.703 34 HG21 THR 8 3HG2 THR 8 -3.240 -21.066 3.654 35 HG22 THR 8 1HG2 THR 8 -4.672 -20.594 2.740 36 HG23 THR 8 2HG2 THR 8 -3.892 -19.436 3.817 37 H GLY 9 H GLY 9 -3.141 -16.760 0.367 38 HA2 GLY 9 1HA GLY 9 -5.157 -15.660 -0.056 39 HA3 GLY 9 2HA GLY 9 -5.764 -16.228 1.492 40 H GLU 10 H GLU 10 -5.051 -13.525 -0.139 41 HA GLU 10 HA GLU 10 -4.575 -12.028 2.337 42 HB2 GLU 10 1HB GLU 10 -3.059 -11.704 -0.252 43 HB3 GLU 10 2HB GLU 10 -3.075 -10.481 1.011 44 HG2 GLU 10 1HG GLU 10 -2.240 -13.301 1.578 45 HG3 GLU 10 2HG GLU 10 -1.111 -12.113 0.930 46 H LYS 11 H LYS 11 -4.913 -9.599 1.900 47 HA LYS 11 HA LYS 11 -7.517 -9.322 0.684 48 HB2 LYS 11 1HB LYS 11 -5.754 -7.598 2.373 49 HB3 LYS 11 2HB LYS 11 -7.043 -6.840 1.447 50 HG2 LYS 11 1HG LYS 11 -8.657 -8.378 2.533 51 HG3 LYS 11 2HG LYS 11 -7.338 -8.986 3.537 52 HD2 LYS 11 1HD LYS 11 -7.001 -6.782 4.484 53 HD3 LYS 11 2HD LYS 11 -8.230 -6.105 3.414 54 HE2 LYS 11 1HE LYS 11 -9.341 -6.399 5.448 55 HE3 LYS 11 2HE LYS 11 -9.825 -7.796 4.489 56 HZ1 LYS 11 3HZ LYS 11 -7.592 -8.659 5.755 57 HZ2 LYS 11 1HZ LYS 11 -9.179 -8.975 6.249 58 HZ3 LYS 11 2HZ LYS 11 -8.321 -7.688 6.933 59 HA PRO 12 HA PRO 12 -6.391 -7.552 -3.170 60 HB2 PRO 12 1HB PRO 12 -8.271 -5.621 -3.492 61 HB3 PRO 12 2HB PRO 12 -8.634 -7.346 -3.621 62 HG2 PRO 12 1HG PRO 12 -9.062 -5.488 -1.313 63 HG3 PRO 12 2HG PRO 12 -10.141 -6.739 -1.958 64 HD2 PRO 12 1HD PRO 12 -8.616 -7.126 0.246 65 HD3 PRO 12 2HD PRO 12 -9.023 -8.440 -0.877 66 H TYR 13 H TYR 13 -5.898 -5.935 -0.335 67 HA TYR 13 HA TYR 13 -4.561 -3.711 -1.724 68 HB2 TYR 13 1HB TYR 13 -5.916 -3.507 0.971 69 HB3 TYR 13 2HB TYR 13 -5.143 -2.202 0.078 70 HD1 TYR 13 HD1 TYR 13 -6.161 -2.423 -2.597 71 HD2 TYR 13 HD2 TYR 13 -8.185 -3.096 1.084 72 HE1 TYR 13 HE1 TYR 13 -8.302 -1.895 -3.685 73 HE2 TYR 13 HE2 TYR 13 -10.332 -2.571 0.006 74 HH TYR 13 HH TYR 13 -10.875 -0.990 -2.338 75 H LYS 14 H LYS 14 -2.616 -4.904 -1.663 76 HA LYS 14 HA LYS 14 -1.405 -5.067 1.019 77 HB2 LYS 14 1HB LYS 14 -1.770 -7.313 0.176 78 HB3 LYS 14 2HB LYS 14 -0.981 -6.906 -1.342 79 HG2 LYS 14 1HG LYS 14 1.139 -6.769 -0.318 80 HG3 LYS 14 2HG LYS 14 0.438 -6.777 1.302 81 HD2 LYS 14 1HD LYS 14 -0.206 -9.060 1.098 82 HD3 LYS 14 2HD LYS 14 0.170 -9.077 -0.627 83 HE2 LYS 14 1HE LYS 14 2.320 -8.411 1.333 84 HE3 LYS 14 2HE LYS 14 1.839 -10.094 1.123 85 HZ1 LYS 14 3HZ LYS 14 2.129 -9.073 -1.420 86 HZ2 LYS 14 1HZ LYS 14 3.175 -10.141 -0.628 87 HZ3 LYS 14 2HZ LYS 14 3.454 -8.475 -0.554 88 H CYS 15 H CYS 15 0.621 -4.236 1.276 89 HA CYS 15 HA CYS 15 1.579 -2.504 -0.841 90 HB2 CYS 15 1HB CYS 15 1.476 -1.726 1.514 91 HB3 CYS 15 2HB CYS 15 2.679 -2.937 1.944 92 H ASN 16 H ASN 16 2.847 -3.318 -2.369 93 HA ASN 16 HA ASN 16 4.280 -5.738 -2.139 94 HB2 ASN 16 1HB ASN 16 4.617 -3.482 -4.130 95 HB3 ASN 16 2HB ASN 16 5.296 -5.098 -4.302 96 HD21 ASN 16 1HD2 ASN 16 3.973 -6.800 -4.846 97 HD22 ASN 16 2HD2 ASN 16 2.351 -6.582 -5.403 98 H GLU 17 H GLU 17 5.202 -2.365 -1.730 99 HA GLU 17 HA GLU 17 7.912 -2.410 -1.752 100 HB2 GLU 17 1HB GLU 17 6.220 -1.068 0.365 101 HB3 GLU 17 2HB GLU 17 7.880 -0.653 -0.037 102 HG2 GLU 17 1HG GLU 17 5.453 -0.345 -1.785 103 HG3 GLU 17 2HG GLU 17 6.421 0.937 -1.058 104 H CYS 18 H CYS 18 5.999 -3.084 1.186 105 HA CYS 18 HA CYS 18 8.295 -4.607 2.222 106 HB2 CYS 18 1HB CYS 18 7.226 -4.263 4.462 107 HB3 CYS 18 2HB CYS 18 7.745 -2.775 3.677 108 H GLY 19 H GLY 19 4.736 -4.619 2.102 109 HA2 GLY 19 1HA GLY 19 3.716 -6.716 1.271 110 HA3 GLY 19 2HA GLY 19 4.859 -7.566 2.299 111 H LYS 20 H LYS 20 2.438 -4.967 2.637 112 HA LYS 20 HA LYS 20 1.356 -6.417 4.957 113 HB2 LYS 20 1HB LYS 20 2.806 -4.347 5.493 114 HB3 LYS 20 2HB LYS 20 1.458 -3.412 4.859 115 HG2 LYS 20 1HG LYS 20 0.031 -4.077 6.575 116 HG3 LYS 20 2HG LYS 20 1.051 -5.448 7.018 117 HD2 LYS 20 1HD LYS 20 2.151 -2.681 7.231 118 HD3 LYS 20 2HD LYS 20 1.039 -3.264 8.471 119 HE2 LYS 20 1HE LYS 20 3.111 -3.844 9.331 120 HE3 LYS 20 2HE LYS 20 2.587 -5.334 8.548 121 HZ1 LYS 20 3HZ LYS 20 4.292 -5.252 7.146 122 HZ2 LYS 20 1HZ LYS 20 4.949 -4.037 8.124 123 HZ3 LYS 20 2HZ LYS 20 4.026 -3.624 6.767 124 H VAL 21 H VAL 21 -0.788 -6.695 4.931 125 HA VAL 21 HA VAL 21 -2.305 -5.431 2.769 126 HB VAL 21 HB VAL 21 -4.054 -7.122 3.318 127 HG11 VAL 21 1HG1 VAL 21 -2.985 -8.062 1.596 128 HG12 VAL 21 2HG1 VAL 21 -1.398 -7.631 2.236 129 HG13 VAL 21 3HG1 VAL 21 -2.210 -9.093 2.798 130 HG21 VAL 21 3HG2 VAL 21 -2.562 -7.411 5.671 131 HG22 VAL 21 1HG2 VAL 21 -3.978 -8.339 5.175 132 HG23 VAL 21 2HG2 VAL 21 -2.360 -8.922 4.784 133 H PHE 22 H PHE 22 -4.332 -4.449 3.136 134 HA PHE 22 HA PHE 22 -4.927 -3.735 5.922 135 HB2 PHE 22 1HB PHE 22 -4.779 -1.818 3.587 136 HB3 PHE 22 2HB PHE 22 -5.425 -1.410 5.174 137 HD1 PHE 22 HD2 PHE 22 -2.360 -2.502 3.408 138 HD2 PHE 22 HD1 PHE 22 -4.012 -0.743 6.914 139 HE1 PHE 22 HE2 PHE 22 -0.098 -1.902 4.168 140 HE2 PHE 22 HE1 PHE 22 -1.753 -0.139 7.679 141 HZ PHE 22 HZ PHE 22 0.208 -0.720 6.306 142 H THR 23 H THR 23 -7.126 -2.963 6.254 143 HA THR 23 HA THR 23 -9.010 -4.542 4.780 144 HB THR 23 HB THR 23 -9.345 -4.275 7.158 145 HG1 THR 23 HG1 THR 23 -11.501 -3.900 7.040 146 HG21 THR 23 3HG2 THR 23 -8.315 -2.082 7.453 147 HG22 THR 23 1HG2 THR 23 -9.939 -2.102 8.139 148 HG23 THR 23 2HG2 THR 23 -9.649 -1.325 6.582 149 H GLN 24 H GLN 24 -8.393 -1.067 5.150 150 HA GLN 24 HA GLN 24 -10.307 -0.532 2.990 151 HB2 GLN 24 1HB GLN 24 -9.084 1.225 5.110 152 HB3 GLN 24 2HB GLN 24 -9.944 1.889 3.727 153 HG2 GLN 24 1HG GLN 24 -11.110 -0.030 5.731 154 HG3 GLN 24 2HG GLN 24 -11.345 1.717 5.735 155 HE21 GLN 24 1HE2 GLN 24 -12.874 2.589 4.464 156 HE22 GLN 24 2HE2 GLN 24 -13.877 1.693 3.380 157 H ASN 25 H ASN 25 -9.713 0.995 1.315 158 HA ASN 25 HA ASN 25 -7.089 0.458 0.288 159 HB2 ASN 25 1HB ASN 25 -9.153 0.630 -1.130 160 HB3 ASN 25 2HB ASN 25 -9.164 2.362 -0.812 161 HD21 ASN 25 1HD2 ASN 25 -7.731 3.676 -1.849 162 HD22 ASN 25 2HD2 ASN 25 -6.687 3.134 -3.114 163 H SER 26 H SER 26 -8.810 3.379 1.359 164 HA SER 26 HA SER 26 -6.894 5.287 0.879 165 HB2 SER 26 1HB SER 26 -7.862 6.496 2.876 166 HB3 SER 26 2HB SER 26 -9.048 5.958 1.688 167 HG SER 26 HG SER 26 -9.939 5.149 3.435 168 H HIS 27 H HIS 27 -7.196 3.235 3.764 169 HA HIS 27 HA HIS 27 -5.115 4.243 5.271 170 HB2 HIS 27 1HB HIS 27 -6.390 1.554 5.043 171 HB3 HIS 27 2HB HIS 27 -4.907 1.698 5.982 172 HD1 HIS 27 HD1 HIS 27 -6.349 1.090 8.102 173 HD2 HIS 27 HD2 HIS 27 -7.323 4.693 6.275 174 HE1 HIS 27 HE1 HIS 27 -7.756 2.333 9.775 175 H LEU 28 H LEU 28 -4.923 1.477 3.024 176 HA LEU 28 HA LEU 28 -2.213 1.003 3.169 177 HB2 LEU 28 1HB LEU 28 -3.628 -0.504 1.990 178 HB3 LEU 28 2HB LEU 28 -4.112 0.749 0.849 179 HG LEU 28 HG LEU 28 -1.666 0.766 0.102 180 HD11 LEU 28 1HD1 LEU 28 -1.142 -0.716 2.224 181 HD12 LEU 28 2HD1 LEU 28 -0.228 -0.887 0.726 182 HD13 LEU 28 3HD1 LEU 28 -1.520 -2.026 1.104 183 HD21 LEU 28 3HD2 LEU 28 -3.783 -0.403 -0.936 184 HD22 LEU 28 1HD2 LEU 28 -2.911 -1.871 -0.494 185 HD23 LEU 28 2HD2 LEU 28 -2.169 -0.699 -1.584 186 H VAL 29 H VAL 29 -3.881 3.126 0.841 187 HA VAL 29 HA VAL 29 -1.824 4.064 -0.652 188 HB VAL 29 HB VAL 29 -4.049 5.747 0.509 189 HG11 VAL 29 1HG1 VAL 29 -2.549 7.315 -0.311 190 HG12 VAL 29 2HG1 VAL 29 -2.025 6.271 -1.634 191 HG13 VAL 29 3HG1 VAL 29 -3.613 7.037 -1.689 192 HG21 VAL 29 3HG2 VAL 29 -3.947 4.507 -2.226 193 HG22 VAL 29 1HG2 VAL 29 -4.625 3.656 -0.838 194 HG23 VAL 29 2HG2 VAL 29 -5.336 5.179 -1.371 195 H ARG 30 H ARG 30 -2.823 5.479 2.467 196 HA ARG 30 HA ARG 30 -0.790 7.385 2.644 197 HB2 ARG 30 1HB ARG 30 -2.509 5.998 4.672 198 HB3 ARG 30 2HB ARG 30 -1.221 7.074 5.198 199 HG2 ARG 30 1HG ARG 30 -2.220 8.897 3.909 200 HG3 ARG 30 2HG ARG 30 -3.517 7.815 3.397 201 HD2 ARG 30 1HD ARG 30 -4.029 7.465 5.840 202 HD3 ARG 30 2HD ARG 30 -2.904 8.779 6.182 203 HE ARG 30 HE ARG 30 -4.998 9.418 4.295 204 HH11 ARG 30 1HH1 ARG 30 -3.989 9.405 7.627 205 HH12 ARG 30 2HH1 ARG 30 -5.103 10.642 8.105 206 HH21 ARG 30 1HH2 ARG 30 -6.470 11.048 4.912 207 HH22 ARG 30 2HH2 ARG 30 -6.515 11.575 6.561 208 H HIS 31 H HIS 31 -0.930 4.100 4.007 209 HA HIS 31 HA HIS 31 1.436 3.979 5.360 210 HB2 HIS 31 1HB HIS 31 0.055 2.068 5.442 211 HB3 HIS 31 2HB HIS 31 0.031 1.905 3.688 212 HD1 HIS 31 HD1 HIS 31 1.920 0.913 6.700 213 HD2 HIS 31 HD2 HIS 31 2.420 0.790 2.577 214 HE1 HIS 31 HE1 HIS 31 3.819 -0.686 6.300 215 H ARG 32 H ARG 32 1.028 3.229 1.897 216 HA ARG 32 HA ARG 32 3.488 2.566 1.087 217 HB2 ARG 32 1HB ARG 32 1.689 4.599 -0.241 218 HB3 ARG 32 2HB ARG 32 3.076 3.849 -1.020 219 HG2 ARG 32 1HG ARG 32 0.757 2.293 0.095 220 HG3 ARG 32 2HG ARG 32 0.858 2.840 -1.580 221 HD2 ARG 32 1HD ARG 32 3.008 1.182 -0.289 222 HD3 ARG 32 2HD ARG 32 1.615 0.460 -1.093 223 HE ARG 32 HE ARG 32 3.857 1.793 -2.345 224 HH11 ARG 32 1HH1 ARG 32 0.601 0.612 -2.694 225 HH12 ARG 32 2HH1 ARG 32 0.683 0.513 -4.422 226 HH21 ARG 32 1HH2 ARG 32 3.978 1.666 -4.620 227 HH22 ARG 32 2HH2 ARG 32 2.604 1.112 -5.516 228 H GLY 33 H GLY 33 2.541 5.740 2.220 229 HA2 GLY 33 1HA GLY 33 4.532 7.389 1.359 230 HA3 GLY 33 2HA GLY 33 3.854 7.477 2.978 231 H ILE 34 H ILE 34 4.760 5.341 4.270 232 HA ILE 34 HA ILE 34 7.202 5.906 5.224 233 HB ILE 34 HB ILE 34 7.434 3.675 6.025 234 HG12 ILE 34 1HG1 ILE 34 5.363 2.789 4.009 235 HG13 ILE 34 2HG1 ILE 34 7.097 2.607 3.767 236 HG21 ILE 34 1HG2 ILE 34 4.461 3.955 5.788 237 HG22 ILE 34 2HG2 ILE 34 5.423 3.410 7.161 238 HG23 ILE 34 3HG2 ILE 34 5.412 5.116 6.715 239 HD11 ILE 34 3HD1 ILE 34 7.104 0.731 4.930 240 HD12 ILE 34 1HD1 ILE 34 6.354 1.529 6.312 241 HD13 ILE 34 2HD1 ILE 34 5.347 0.839 5.038 242 H HIS 35 H HIS 35 6.549 4.215 2.223 243 HA HIS 35 HA HIS 35 9.385 3.723 1.767 244 HB2 HIS 35 1HB HIS 35 7.081 3.118 -0.091 245 HB3 HIS 35 2HB HIS 35 8.707 2.443 -0.147 246 HD1 HIS 35 HD1 HIS 35 9.323 0.953 2.089 247 HD2 HIS 35 HD2 HIS 35 5.304 1.557 1.223 248 HE1 HIS 35 HE1 HIS 35 8.086 -0.828 3.363 249 H THR 36 H THR 36 9.797 6.084 1.770 250 HA THR 36 HA THR 36 9.324 7.212 -0.911 251 HB THR 36 HB THR 36 9.570 9.485 0.325 252 HG1 THR 36 HG1 THR 36 9.728 9.279 2.419 253 HG21 THR 36 3HG2 THR 36 7.440 9.580 -0.317 254 HG22 THR 36 1HG2 THR 36 6.975 8.744 1.165 255 HG23 THR 36 2HG2 THR 36 7.329 7.820 -0.295 256 H GLY 37 H GLY 37 11.272 6.755 -1.833 257 HA2 GLY 37 1HA GLY 37 13.662 7.804 -0.446 258 HA3 GLY 37 2HA GLY 37 13.692 6.393 -1.493 259 H GLU 38 H GLU 38 13.984 9.780 -1.312 260 HA GLU 38 HA GLU 38 14.847 9.927 -4.043 261 HB2 GLU 38 1HB GLU 38 13.221 11.828 -4.565 262 HB3 GLU 38 2HB GLU 38 12.580 10.191 -4.610 263 HG2 GLU 38 1HG GLU 38 11.353 10.472 -2.680 264 HG3 GLU 38 2HG GLU 38 12.362 11.799 -2.108 265 H LYS 39 H LYS 39 16.691 10.981 -3.728 266 HA LYS 39 HA LYS 39 16.648 13.652 -2.638 267 HB2 LYS 39 1HB LYS 39 17.914 11.363 -1.191 268 HB3 LYS 39 2HB LYS 39 18.693 12.938 -1.135 269 HG2 LYS 39 1HG LYS 39 16.621 13.912 -0.245 270 HG3 LYS 39 2HG LYS 39 15.882 12.309 -0.256 271 HD2 LYS 39 1HD LYS 39 17.904 11.613 1.187 272 HD3 LYS 39 2HD LYS 39 18.121 13.345 1.451 273 HE2 LYS 39 1HE LYS 39 16.811 12.463 3.253 274 HE3 LYS 39 2HE LYS 39 15.764 13.455 2.240 275 HZ1 LYS 39 3HZ LYS 39 14.648 11.424 2.825 276 HZ2 LYS 39 1HZ LYS 39 15.927 10.490 2.230 277 HZ3 LYS 39 2HZ LYS 39 14.982 11.406 1.167 278 HA PRO 40 HA PRO 40 19.882 14.258 -5.543 279 HB2 PRO 40 1HB PRO 40 21.303 16.248 -4.364 280 HB3 PRO 40 2HB PRO 40 19.713 16.504 -5.092 281 HG2 PRO 40 1HG PRO 40 20.438 16.115 -2.214 282 HG3 PRO 40 2HG PRO 40 19.299 17.267 -2.935 283 HD2 PRO 40 1HD PRO 40 18.493 14.968 -1.753 284 HD3 PRO 40 2HD PRO 40 17.629 15.690 -3.126 285 H SER 41 H SER 41 21.255 12.560 -5.700 286 HA SER 41 HA SER 41 23.159 12.028 -3.554 287 HB2 SER 41 1HB SER 41 23.739 10.020 -4.961 288 HB3 SER 41 2HB SER 41 22.061 10.075 -4.423 289 HG SER 41 HG SER 41 23.121 10.567 -6.988 290 H GLY 42 H GLY 42 23.194 12.652 -7.062 291 HA2 GLY 42 1HA GLY 42 25.393 14.390 -6.977 292 HA3 GLY 42 2HA GLY 42 25.991 12.776 -7.335 293 HA PRO 43 HA PRO 43 24.980 14.735 -11.376 294 HB2 PRO 43 1HB PRO 43 27.131 13.695 -12.663 295 HB3 PRO 43 2HB PRO 43 27.202 15.196 -11.733 296 HG2 PRO 43 1HG PRO 43 28.037 12.434 -10.937 297 HG3 PRO 43 2HG PRO 43 28.867 13.976 -10.661 298 HD2 PRO 43 1HD PRO 43 27.408 12.743 -8.742 299 HD3 PRO 43 2HD PRO 43 27.541 14.510 -8.853 300 H SER 44 H SER 44 24.102 13.781 -13.203 301 HA SER 44 HA SER 44 22.796 12.175 -14.197 302 HB2 SER 44 1HB SER 44 24.080 10.557 -15.332 303 HB3 SER 44 2HB SER 44 25.210 11.882 -15.051 304 HG SER 44 HG SER 44 25.528 10.487 -12.962 305 H SER 45 H SER 45 22.368 12.160 -11.454 306 HA SER 45 HA SER 45 22.688 9.804 -10.070 307 HB2 SER 45 1HB SER 45 20.541 10.417 -8.898 308 HB3 SER 45 2HB SER 45 21.736 11.712 -8.968 309 HG SER 45 HG SER 45 19.284 11.897 -9.717 310 H GLY 46 H GLY 46 22.330 7.817 -10.822 311 HA2 GLY 46 1HA GLY 46 19.972 6.563 -11.103 312 HA3 GLY 46 2HA GLY 46 20.171 7.294 -12.689 Start of MODEL 7 1 H1 GLY 1 H GLY 1 12.286 -19.144 9.116 2 HA2 GLY 1 1HA GLY 1 9.828 -19.016 7.564 3 HA3 GLY 1 2HA GLY 1 9.923 -20.325 8.733 4 H SER 2 H SER 2 9.643 -19.905 10.882 5 HA SER 2 HA SER 2 8.562 -18.786 12.582 6 HB2 SER 2 1HB SER 2 9.945 -16.963 13.487 7 HB3 SER 2 2HB SER 2 10.943 -18.324 12.975 8 HG SER 2 HG SER 2 11.929 -16.993 11.702 9 H SER 3 H SER 3 7.215 -18.293 10.216 10 HA SER 3 HA SER 3 6.532 -15.434 10.425 11 HB2 SER 3 1HB SER 3 6.077 -17.289 8.076 12 HB3 SER 3 2HB SER 3 5.715 -15.564 8.126 13 HG SER 3 HG SER 3 7.812 -15.098 8.011 14 H GLY 4 H GLY 4 4.549 -14.896 11.093 15 HA2 GLY 4 1HA GLY 4 2.173 -16.239 10.561 16 HA3 GLY 4 2HA GLY 4 2.771 -16.867 12.089 17 H SER 5 H SER 5 0.558 -14.889 10.999 18 HA SER 5 HA SER 5 0.962 -12.899 13.137 19 HB2 SER 5 1HB SER 5 1.074 -11.891 10.881 20 HB3 SER 5 2HB SER 5 -0.538 -12.516 10.534 21 HG SER 5 HG SER 5 0.182 -10.609 12.506 22 H SER 6 H SER 6 -0.222 -15.392 13.612 23 HA SER 6 HA SER 6 -2.124 -16.425 14.357 24 HB2 SER 6 1HB SER 6 -3.293 -15.200 16.047 25 HB3 SER 6 2HB SER 6 -1.619 -14.646 16.087 26 HG SER 6 HG SER 6 -3.912 -13.277 15.451 27 H GLY 7 H GLY 7 -2.372 -15.820 11.680 28 HA2 GLY 7 1HA GLY 7 -5.106 -16.054 11.230 29 HA3 GLY 7 2HA GLY 7 -4.711 -14.352 11.040 30 H THR 8 H THR 8 -5.437 -16.782 9.222 31 HA THR 8 HA THR 8 -3.284 -16.359 7.256 32 HB THR 8 HB THR 8 -4.056 -18.468 6.191 33 HG1 THR 8 HG1 THR 8 -6.030 -18.991 6.807 34 HG21 THR 8 3HG2 THR 8 -2.307 -18.233 8.142 35 HG22 THR 8 1HG2 THR 8 -2.810 -19.824 7.573 36 HG23 THR 8 2HG2 THR 8 -3.512 -19.151 9.045 37 H GLY 9 H GLY 9 -3.860 -16.093 5.039 38 HA2 GLY 9 1HA GLY 9 -5.941 -16.047 3.542 39 HA3 GLY 9 2HA GLY 9 -6.527 -14.882 4.719 40 H GLU 10 H GLU 10 -6.366 -14.205 2.066 41 HA GLU 10 HA GLU 10 -4.198 -12.218 2.110 42 HB2 GLU 10 1HB GLU 10 -3.938 -12.483 -0.328 43 HB3 GLU 10 2HB GLU 10 -3.541 -13.956 0.546 44 HG2 GLU 10 1HG GLU 10 -6.271 -13.543 -0.604 45 HG3 GLU 10 2HG GLU 10 -4.939 -14.122 -1.603 46 H LYS 11 H LYS 11 -4.721 -10.190 1.414 47 HA LYS 11 HA LYS 11 -7.552 -9.749 0.732 48 HB2 LYS 11 1HB LYS 11 -5.577 -7.971 2.167 49 HB3 LYS 11 2HB LYS 11 -7.160 -7.428 1.629 50 HG2 LYS 11 1HG LYS 11 -8.225 -9.092 3.062 51 HG3 LYS 11 2HG LYS 11 -6.637 -9.647 3.598 52 HD2 LYS 11 1HD LYS 11 -7.140 -8.205 5.300 53 HD3 LYS 11 2HD LYS 11 -6.336 -7.090 4.193 54 HE2 LYS 11 1HE LYS 11 -8.275 -5.956 4.820 55 HE3 LYS 11 2HE LYS 11 -8.681 -6.649 3.250 56 HZ1 LYS 11 3HZ LYS 11 -9.307 -8.424 5.395 57 HZ2 LYS 11 1HZ LYS 11 -10.299 -7.847 4.152 58 HZ3 LYS 11 2HZ LYS 11 -10.103 -6.940 5.566 59 HA PRO 12 HA PRO 12 -6.413 -8.064 -3.161 60 HB2 PRO 12 1HB PRO 12 -8.389 -6.235 -3.515 61 HB3 PRO 12 2HB PRO 12 -8.660 -7.978 -3.637 62 HG2 PRO 12 1HG PRO 12 -9.208 -6.131 -1.345 63 HG3 PRO 12 2HG PRO 12 -10.214 -7.440 -1.993 64 HD2 PRO 12 1HD PRO 12 -8.694 -7.734 0.229 65 HD3 PRO 12 2HD PRO 12 -9.020 -9.074 -0.890 66 H TYR 13 H TYR 13 -6.101 -6.370 -0.323 67 HA TYR 13 HA TYR 13 -4.899 -4.068 -1.715 68 HB2 TYR 13 1HB TYR 13 -6.260 -4.073 0.987 69 HB3 TYR 13 2HB TYR 13 -5.460 -2.689 0.249 70 HD1 TYR 13 HD1 TYR 13 -6.463 -1.555 -1.680 71 HD2 TYR 13 HD2 TYR 13 -8.441 -4.788 0.254 72 HE1 TYR 13 HE1 TYR 13 -8.563 -0.931 -2.797 73 HE2 TYR 13 HE2 TYR 13 -10.546 -4.174 -0.859 74 HH TYR 13 HH TYR 13 -11.334 -1.536 -1.975 75 H LYS 14 H LYS 14 -2.842 -4.965 -1.757 76 HA LYS 14 HA LYS 14 -1.552 -5.238 0.878 77 HB2 LYS 14 1HB LYS 14 -1.512 -7.424 0.057 78 HB3 LYS 14 2HB LYS 14 -1.259 -6.900 -1.602 79 HG2 LYS 14 1HG LYS 14 0.770 -7.859 -0.893 80 HG3 LYS 14 2HG LYS 14 1.024 -6.112 -0.884 81 HD2 LYS 14 1HD LYS 14 1.917 -6.650 1.153 82 HD3 LYS 14 2HD LYS 14 0.240 -6.364 1.626 83 HE2 LYS 14 1HE LYS 14 0.841 -8.385 2.666 84 HE3 LYS 14 2HE LYS 14 -0.123 -8.854 1.267 85 HZ1 LYS 14 3HZ LYS 14 1.958 -9.264 0.060 86 HZ2 LYS 14 1HZ LYS 14 1.812 -10.245 1.430 87 HZ3 LYS 14 2HZ LYS 14 2.840 -8.902 1.457 88 H CYS 15 H CYS 15 0.708 -4.651 0.956 89 HA CYS 15 HA CYS 15 1.273 -2.386 -0.787 90 HB2 CYS 15 1HB CYS 15 1.516 -2.049 1.616 91 HB3 CYS 15 2HB CYS 15 2.667 -3.378 1.708 92 H ASN 16 H ASN 16 2.432 -2.662 -2.564 93 HA ASN 16 HA ASN 16 4.068 -5.020 -2.920 94 HB2 ASN 16 1HB ASN 16 2.548 -3.731 -4.665 95 HB3 ASN 16 2HB ASN 16 4.022 -2.799 -4.916 96 HD21 ASN 16 1HD2 ASN 16 3.220 -6.223 -4.411 97 HD22 ASN 16 2HD2 ASN 16 4.135 -6.808 -5.755 98 H GLU 17 H GLU 17 5.002 -3.319 -0.874 99 HA GLU 17 HA GLU 17 7.585 -2.508 -2.024 100 HB2 GLU 17 1HB GLU 17 6.170 -1.041 0.206 101 HB3 GLU 17 2HB GLU 17 7.686 -0.588 -0.561 102 HG2 GLU 17 1HG GLU 17 5.247 -0.834 -2.245 103 HG3 GLU 17 2HG GLU 17 5.433 0.580 -1.208 104 H CYS 18 H CYS 18 5.888 -3.212 1.028 105 HA CYS 18 HA CYS 18 8.352 -4.514 1.989 106 HB2 CYS 18 1HB CYS 18 7.448 -4.077 4.288 107 HB3 CYS 18 2HB CYS 18 7.858 -2.623 3.383 108 H GLY 19 H GLY 19 4.798 -4.654 2.178 109 HA2 GLY 19 1HA GLY 19 3.864 -6.881 1.515 110 HA3 GLY 19 2HA GLY 19 5.050 -7.566 2.616 111 H LYS 20 H LYS 20 2.262 -5.376 2.501 112 HA LYS 20 HA LYS 20 1.270 -6.548 4.967 113 HB2 LYS 20 1HB LYS 20 2.256 -3.747 4.732 114 HB3 LYS 20 2HB LYS 20 0.797 -4.022 5.673 115 HG2 LYS 20 1HG LYS 20 1.901 -5.265 7.273 116 HG3 LYS 20 2HG LYS 20 3.230 -5.674 6.185 117 HD2 LYS 20 1HD LYS 20 4.095 -3.437 6.309 118 HD3 LYS 20 2HD LYS 20 2.687 -2.895 7.225 119 HE2 LYS 20 1HE LYS 20 3.341 -4.529 9.011 120 HE3 LYS 20 2HE LYS 20 4.833 -4.815 8.117 121 HZ1 LYS 20 3HZ LYS 20 5.674 -2.817 8.702 122 HZ2 LYS 20 1HZ LYS 20 4.631 -2.999 10.021 123 HZ3 LYS 20 2HZ LYS 20 4.172 -2.040 8.707 124 H VAL 21 H VAL 21 -0.892 -6.722 4.949 125 HA VAL 21 HA VAL 21 -2.331 -5.486 2.716 126 HB VAL 21 HB VAL 21 -4.133 -7.103 3.248 127 HG11 VAL 21 1HG1 VAL 21 -3.131 -8.390 1.744 128 HG12 VAL 21 2HG1 VAL 21 -1.588 -7.621 2.118 129 HG13 VAL 21 3HG1 VAL 21 -2.090 -9.067 2.995 130 HG21 VAL 21 3HG2 VAL 21 -3.605 -8.967 4.800 131 HG22 VAL 21 1HG2 VAL 21 -2.164 -8.086 5.310 132 HG23 VAL 21 2HG2 VAL 21 -3.765 -7.408 5.609 133 H PHE 22 H PHE 22 -4.503 -4.650 3.088 134 HA PHE 22 HA PHE 22 -5.053 -3.764 5.820 135 HB2 PHE 22 1HB PHE 22 -4.974 -1.868 3.463 136 HB3 PHE 22 2HB PHE 22 -5.404 -1.453 5.119 137 HD1 PHE 22 HD2 PHE 22 -2.646 -2.478 2.905 138 HD2 PHE 22 HD1 PHE 22 -3.742 -1.039 6.758 139 HE1 PHE 22 HE2 PHE 22 -0.286 -1.981 3.387 140 HE2 PHE 22 HE1 PHE 22 -1.383 -0.538 7.246 141 HZ PHE 22 HZ PHE 22 0.349 -1.010 5.560 142 H THR 23 H THR 23 -7.237 -2.545 5.841 143 HA THR 23 HA THR 23 -9.120 -4.157 4.270 144 HB THR 23 HB THR 23 -9.504 -4.356 6.627 145 HG1 THR 23 HG1 THR 23 -11.434 -4.245 5.532 146 HG21 THR 23 3HG2 THR 23 -8.363 -2.317 7.359 147 HG22 THR 23 1HG2 THR 23 -9.979 -2.423 8.055 148 HG23 THR 23 2HG2 THR 23 -9.674 -1.340 6.697 149 H GLN 24 H GLN 24 -7.985 -0.935 4.727 150 HA GLN 24 HA GLN 24 -10.083 0.049 2.908 151 HB2 GLN 24 1HB GLN 24 -9.994 0.918 5.367 152 HB3 GLN 24 2HB GLN 24 -8.627 1.865 4.797 153 HG2 GLN 24 1HG GLN 24 -10.653 3.174 4.719 154 HG3 GLN 24 2HG GLN 24 -10.047 2.884 3.089 155 HE21 GLN 24 1HE2 GLN 24 -12.521 2.104 5.412 156 HE22 GLN 24 2HE2 GLN 24 -13.637 1.409 4.290 157 H ASN 25 H ASN 25 -9.301 0.494 0.966 158 HA ASN 25 HA ASN 25 -6.749 0.410 0.082 159 HB2 ASN 25 1HB ASN 25 -8.500 0.616 -1.518 160 HB3 ASN 25 2HB ASN 25 -9.012 2.169 -0.863 161 HD21 ASN 25 1HD2 ASN 25 -7.708 4.006 -1.239 162 HD22 ASN 25 2HD2 ASN 25 -6.609 4.057 -2.571 163 H SER 26 H SER 26 -8.367 3.287 1.381 164 HA SER 26 HA SER 26 -6.379 5.165 0.957 165 HB2 SER 26 1HB SER 26 -8.667 5.649 1.834 166 HB3 SER 26 2HB SER 26 -8.163 5.007 3.398 167 HG SER 26 HG SER 26 -7.781 7.456 2.392 168 H HIS 27 H HIS 27 -6.892 3.262 3.931 169 HA HIS 27 HA HIS 27 -4.748 4.061 5.413 170 HB2 HIS 27 1HB HIS 27 -6.084 1.384 5.145 171 HB3 HIS 27 2HB HIS 27 -4.709 1.591 6.227 172 HD1 HIS 27 HD1 HIS 27 -6.382 1.041 8.196 173 HD2 HIS 27 HD2 HIS 27 -7.153 4.571 6.145 174 HE1 HIS 27 HE1 HIS 27 -7.966 2.337 9.658 175 H LEU 28 H LEU 28 -4.744 1.684 2.795 176 HA LEU 28 HA LEU 28 -2.005 0.968 3.093 177 HB2 LEU 28 1HB LEU 28 -3.443 -0.577 2.016 178 HB3 LEU 28 2HB LEU 28 -3.988 0.634 0.858 179 HG LEU 28 HG LEU 28 -1.645 0.636 -0.072 180 HD11 LEU 28 1HD1 LEU 28 -0.760 -0.496 2.068 181 HD12 LEU 28 2HD1 LEU 28 -0.101 -0.996 0.511 182 HD13 LEU 28 3HD1 LEU 28 -1.310 -1.995 1.318 183 HD21 LEU 28 3HD2 LEU 28 -2.639 -2.129 -0.377 184 HD22 LEU 28 1HD2 LEU 28 -2.248 -0.919 -1.599 185 HD23 LEU 28 2HD2 LEU 28 -3.784 -0.836 -0.737 186 H VAL 29 H VAL 29 -3.730 3.124 0.854 187 HA VAL 29 HA VAL 29 -1.617 3.939 -0.727 188 HB VAL 29 HB VAL 29 -3.935 5.627 0.226 189 HG11 VAL 29 1HG1 VAL 29 -2.593 7.227 -0.692 190 HG12 VAL 29 2HG1 VAL 29 -1.775 6.087 -1.761 191 HG13 VAL 29 3HG1 VAL 29 -3.398 6.655 -2.152 192 HG21 VAL 29 3HG2 VAL 29 -3.839 4.398 -2.473 193 HG22 VAL 29 1HG2 VAL 29 -4.193 3.343 -1.105 194 HG23 VAL 29 2HG2 VAL 29 -5.221 4.739 -1.432 195 H ARG 30 H ARG 30 -2.718 5.353 2.345 196 HA ARG 30 HA ARG 30 -0.701 7.354 2.424 197 HB2 ARG 30 1HB ARG 30 -2.965 7.217 3.698 198 HB3 ARG 30 2HB ARG 30 -2.057 6.279 4.876 199 HG2 ARG 30 1HG ARG 30 -0.563 8.120 5.268 200 HG3 ARG 30 2HG ARG 30 -1.318 9.054 3.976 201 HD2 ARG 30 1HD ARG 30 -3.334 9.282 5.195 202 HD3 ARG 30 2HD ARG 30 -2.843 8.064 6.371 203 HE ARG 30 HE ARG 30 -0.948 9.950 6.665 204 HH11 ARG 30 1HH1 ARG 30 -4.425 10.103 6.589 205 HH12 ARG 30 2HH1 ARG 30 -4.519 11.473 7.645 206 HH21 ARG 30 1HH2 ARG 30 -1.058 11.754 8.057 207 HH22 ARG 30 2HH2 ARG 30 -2.602 12.412 8.479 208 H HIS 31 H HIS 31 -0.906 4.048 3.546 209 HA HIS 31 HA HIS 31 1.219 4.007 5.352 210 HB2 HIS 31 1HB HIS 31 0.016 2.045 5.404 211 HB3 HIS 31 2HB HIS 31 -0.133 1.964 3.651 212 HD1 HIS 31 HD1 HIS 31 2.331 1.248 6.417 213 HD2 HIS 31 HD2 HIS 31 1.770 0.436 2.381 214 HE1 HIS 31 HE1 HIS 31 4.076 -0.463 5.827 215 H ARG 32 H ARG 32 1.199 3.595 1.837 216 HA ARG 32 HA ARG 32 3.849 2.865 1.450 217 HB2 ARG 32 1HB ARG 32 1.855 4.344 -0.230 218 HB3 ARG 32 2HB ARG 32 3.514 4.175 -0.789 219 HG2 ARG 32 1HG ARG 32 3.340 1.885 -1.030 220 HG3 ARG 32 2HG ARG 32 1.984 1.768 0.093 221 HD2 ARG 32 1HD ARG 32 1.201 1.414 -2.164 222 HD3 ARG 32 2HD ARG 32 0.563 2.938 -1.548 223 HE ARG 32 HE ARG 32 2.922 3.506 -2.911 224 HH11 ARG 32 1HH1 ARG 32 -0.257 2.264 -3.595 225 HH12 ARG 32 2HH1 ARG 32 -0.284 2.863 -5.221 226 HH21 ARG 32 1HH2 ARG 32 2.899 4.300 -5.050 227 HH22 ARG 32 2HH2 ARG 32 1.512 4.021 -6.047 228 H GLY 33 H GLY 33 2.622 5.769 2.678 229 HA2 GLY 33 1HA GLY 33 4.428 7.678 1.720 230 HA3 GLY 33 2HA GLY 33 3.615 7.749 3.276 231 H ILE 34 H ILE 34 4.790 5.275 4.255 232 HA ILE 34 HA ILE 34 7.089 6.322 5.482 233 HB ILE 34 HB ILE 34 7.435 4.148 6.438 234 HG12 ILE 34 1HG1 ILE 34 5.322 2.979 4.644 235 HG13 ILE 34 2HG1 ILE 34 7.015 2.995 4.160 236 HG21 ILE 34 1HG2 ILE 34 4.744 3.663 6.769 237 HG22 ILE 34 2HG2 ILE 34 5.722 4.781 7.719 238 HG23 ILE 34 3HG2 ILE 34 4.800 5.372 6.336 239 HD11 ILE 34 3HD1 ILE 34 7.042 0.991 5.156 240 HD12 ILE 34 1HD1 ILE 34 7.221 1.940 6.631 241 HD13 ILE 34 2HD1 ILE 34 5.631 1.346 6.151 242 H HIS 35 H HIS 35 6.641 4.557 2.525 243 HA HIS 35 HA HIS 35 9.422 3.850 2.238 244 HB2 HIS 35 1HB HIS 35 7.178 3.770 0.210 245 HB3 HIS 35 2HB HIS 35 8.764 3.029 0.021 246 HD1 HIS 35 HD1 HIS 35 9.010 0.691 0.854 247 HD2 HIS 35 HD2 HIS 35 5.606 2.546 2.348 248 HE1 HIS 35 HE1 HIS 35 7.750 -1.105 2.083 249 H THR 36 H THR 36 7.202 6.121 0.630 250 HA THR 36 HA THR 36 9.194 7.305 -1.002 251 HB THR 36 HB THR 36 7.491 9.191 -1.217 252 HG1 THR 36 HG1 THR 36 5.702 7.403 0.044 253 HG21 THR 36 3HG2 THR 36 7.708 7.050 -2.650 254 HG22 THR 36 1HG2 THR 36 6.224 7.995 -2.768 255 HG23 THR 36 2HG2 THR 36 6.256 6.520 -1.801 256 H GLY 37 H GLY 37 10.506 9.032 -0.687 257 HA2 GLY 37 1HA GLY 37 10.162 11.028 1.263 258 HA3 GLY 37 2HA GLY 37 11.221 9.789 1.920 259 H GLU 38 H GLU 38 10.883 11.305 -1.290 260 HA GLU 38 HA GLU 38 12.409 12.268 -2.676 261 HB2 GLU 38 1HB GLU 38 13.387 13.046 0.037 262 HB3 GLU 38 2HB GLU 38 14.403 13.387 -1.356 263 HG2 GLU 38 1HG GLU 38 11.537 14.217 -1.364 264 HG3 GLU 38 2HG GLU 38 12.736 15.176 -0.497 265 H LYS 39 H LYS 39 12.660 9.550 -2.436 266 HA LYS 39 HA LYS 39 15.508 9.210 -2.961 267 HB2 LYS 39 1HB LYS 39 13.983 7.844 -0.790 268 HB3 LYS 39 2HB LYS 39 15.193 6.916 -1.666 269 HG2 LYS 39 1HG LYS 39 16.938 8.320 -0.962 270 HG3 LYS 39 2HG LYS 39 15.818 9.574 -0.423 271 HD2 LYS 39 1HD LYS 39 15.701 6.859 0.818 272 HD3 LYS 39 2HD LYS 39 16.962 7.990 1.315 273 HE2 LYS 39 1HE LYS 39 14.089 8.834 1.233 274 HE3 LYS 39 2HE LYS 39 14.725 7.943 2.615 275 HZ1 LYS 39 3HZ LYS 39 16.461 9.689 2.797 276 HZ2 LYS 39 1HZ LYS 39 14.891 10.256 3.078 277 HZ3 LYS 39 2HZ LYS 39 15.653 10.573 1.601 278 HA PRO 40 HA PRO 40 13.923 6.882 -6.348 279 HB2 PRO 40 1HB PRO 40 16.175 5.515 -7.002 280 HB3 PRO 40 2HB PRO 40 15.962 7.236 -7.346 281 HG2 PRO 40 1HG PRO 40 17.438 5.923 -5.097 282 HG3 PRO 40 2HG PRO 40 17.916 7.314 -6.088 283 HD2 PRO 40 1HD PRO 40 16.881 7.584 -3.600 284 HD3 PRO 40 2HD PRO 40 16.609 8.781 -4.883 285 H SER 41 H SER 41 14.359 4.440 -7.180 286 HA SER 41 HA SER 41 14.152 2.609 -4.899 287 HB2 SER 41 1HB SER 41 12.157 1.570 -5.747 288 HB3 SER 41 2HB SER 41 11.852 3.305 -5.655 289 HG SER 41 HG SER 41 11.789 1.680 -7.801 290 H GLY 42 H GLY 42 15.896 1.368 -5.236 291 HA2 GLY 42 1HA GLY 42 16.888 0.724 -7.838 292 HA3 GLY 42 2HA GLY 42 17.448 0.049 -6.315 293 HA PRO 43 HA PRO 43 15.611 -3.780 -7.410 294 HB2 PRO 43 1HB PRO 43 15.168 -4.826 -4.944 295 HB3 PRO 43 2HB PRO 43 16.781 -4.690 -5.654 296 HG2 PRO 43 1HG PRO 43 15.432 -2.909 -3.662 297 HG3 PRO 43 2HG PRO 43 17.104 -3.499 -3.683 298 HD2 PRO 43 1HD PRO 43 16.428 -1.009 -4.503 299 HD3 PRO 43 2HD PRO 43 17.776 -1.916 -5.217 300 H SER 44 H SER 44 13.633 -4.884 -7.505 301 HA SER 44 HA SER 44 11.325 -3.259 -6.721 302 HB2 SER 44 1HB SER 44 11.655 -4.029 -9.120 303 HB3 SER 44 2HB SER 44 11.316 -5.663 -8.551 304 HG SER 44 HG SER 44 9.333 -4.569 -7.624 305 H SER 45 H SER 45 9.507 -4.184 -5.693 306 HA SER 45 HA SER 45 9.845 -5.611 -3.448 307 HB2 SER 45 1HB SER 45 7.465 -6.341 -3.628 308 HB3 SER 45 2HB SER 45 7.695 -4.632 -3.999 309 HG SER 45 HG SER 45 6.337 -5.743 -5.513 310 H GLY 46 H GLY 46 8.953 -7.118 -6.558 311 HA2 GLY 46 1HA GLY 46 9.292 -9.776 -5.534 312 HA3 GLY 46 2HA GLY 46 9.020 -9.331 -7.213 Start of MODEL 8 1 H1 GLY 1 H GLY 1 10.342 -19.933 -4.160 2 HA2 GLY 1 1HA GLY 1 10.291 -17.680 -2.548 3 HA3 GLY 1 2HA GLY 1 9.641 -17.178 -4.102 4 H SER 2 H SER 2 8.530 -17.696 -1.270 5 HA SER 2 HA SER 2 6.633 -18.520 -0.309 6 HB2 SER 2 1HB SER 2 5.646 -16.983 -1.968 7 HB3 SER 2 2HB SER 2 5.602 -18.292 -3.148 8 HG SER 2 HG SER 2 4.246 -18.267 -0.653 9 H SER 3 H SER 3 8.468 -20.507 -0.925 10 HA SER 3 HA SER 3 7.554 -22.664 -2.416 11 HB2 SER 3 1HB SER 3 9.021 -24.055 -0.971 12 HB3 SER 3 2HB SER 3 9.821 -22.588 -1.534 13 HG SER 3 HG SER 3 9.969 -23.189 0.806 14 H GLY 4 H GLY 4 7.162 -22.119 1.090 15 HA2 GLY 4 1HA GLY 4 5.627 -24.345 1.687 16 HA3 GLY 4 2HA GLY 4 5.524 -22.813 2.543 17 H SER 5 H SER 5 3.513 -24.900 1.575 18 HA SER 5 HA SER 5 1.819 -23.204 -0.108 19 HB2 SER 5 1HB SER 5 1.777 -26.131 0.593 20 HB3 SER 5 2HB SER 5 0.365 -25.344 -0.111 21 HG SER 5 HG SER 5 1.915 -26.343 -1.615 22 H SER 6 H SER 6 0.991 -21.700 1.292 23 HA SER 6 HA SER 6 -1.249 -22.447 2.845 24 HB2 SER 6 1HB SER 6 0.556 -23.175 4.406 25 HB3 SER 6 2HB SER 6 1.141 -21.512 4.452 26 HG SER 6 HG SER 6 -1.557 -21.930 4.999 27 H GLY 7 H GLY 7 -2.600 -20.791 2.664 28 HA2 GLY 7 1HA GLY 7 -1.468 -18.063 2.611 29 HA3 GLY 7 2HA GLY 7 -2.701 -18.567 1.465 30 H THR 8 H THR 8 -2.075 -18.196 4.936 31 HA THR 8 HA THR 8 -4.911 -18.159 5.530 32 HB THR 8 HB THR 8 -2.525 -17.700 7.331 33 HG1 THR 8 HG1 THR 8 -2.449 -19.811 7.108 34 HG21 THR 8 3HG2 THR 8 -4.943 -16.763 7.896 35 HG22 THR 8 1HG2 THR 8 -3.924 -17.502 9.131 36 HG23 THR 8 2HG2 THR 8 -5.211 -18.440 8.372 37 H GLY 9 H GLY 9 -6.099 -16.389 5.286 38 HA2 GLY 9 1HA GLY 9 -6.757 -14.188 5.343 39 HA3 GLY 9 2HA GLY 9 -5.393 -13.890 6.412 40 H GLU 10 H GLU 10 -6.619 -13.639 3.211 41 HA GLU 10 HA GLU 10 -4.232 -12.119 2.449 42 HB2 GLU 10 1HB GLU 10 -4.395 -14.573 1.506 43 HB3 GLU 10 2HB GLU 10 -5.545 -13.847 0.392 44 HG2 GLU 10 1HG GLU 10 -3.793 -12.193 -0.232 45 HG3 GLU 10 2HG GLU 10 -2.656 -13.100 0.763 46 H LYS 11 H LYS 11 -4.815 -10.144 1.872 47 HA LYS 11 HA LYS 11 -7.546 -9.708 0.873 48 HB2 LYS 11 1HB LYS 11 -5.607 -7.707 2.047 49 HB3 LYS 11 2HB LYS 11 -7.272 -7.385 1.581 50 HG2 LYS 11 1HG LYS 11 -6.472 -9.354 3.711 51 HG3 LYS 11 2HG LYS 11 -6.922 -7.676 4.024 52 HD2 LYS 11 1HD LYS 11 -9.048 -8.356 2.607 53 HD3 LYS 11 2HD LYS 11 -8.607 -9.973 3.160 54 HE2 LYS 11 1HE LYS 11 -8.788 -7.697 5.096 55 HE3 LYS 11 2HE LYS 11 -10.244 -8.545 4.576 56 HZ1 LYS 11 3HZ LYS 11 -9.735 -10.319 5.809 57 HZ2 LYS 11 1HZ LYS 11 -8.670 -9.293 6.631 58 HZ3 LYS 11 2HZ LYS 11 -8.097 -10.287 5.388 59 HA PRO 12 HA PRO 12 -6.113 -8.557 -3.115 60 HB2 PRO 12 1HB PRO 12 -7.954 -6.684 -3.801 61 HB3 PRO 12 2HB PRO 12 -8.322 -8.411 -3.731 62 HG2 PRO 12 1HG PRO 12 -8.879 -6.272 -1.712 63 HG3 PRO 12 2HG PRO 12 -9.926 -7.595 -2.258 64 HD2 PRO 12 1HD PRO 12 -8.545 -7.696 0.069 65 HD3 PRO 12 2HD PRO 12 -8.891 -9.143 -0.899 66 H TYR 13 H TYR 13 -6.241 -6.296 -0.545 67 HA TYR 13 HA TYR 13 -4.706 -4.331 -2.110 68 HB2 TYR 13 1HB TYR 13 -6.257 -3.971 0.463 69 HB3 TYR 13 2HB TYR 13 -5.313 -2.713 -0.327 70 HD1 TYR 13 HD2 TYR 13 -8.360 -4.750 -0.510 71 HD2 TYR 13 HD1 TYR 13 -6.119 -1.622 -2.327 72 HE1 TYR 13 HE2 TYR 13 -10.319 -4.142 -1.867 73 HE2 TYR 13 HE1 TYR 13 -8.073 -1.005 -3.688 74 HH TYR 13 HH TYR 13 -10.122 -1.954 -4.504 75 H LYS 14 H LYS 14 -2.607 -4.818 -1.900 76 HA LYS 14 HA LYS 14 -1.525 -5.000 0.826 77 HB2 LYS 14 1HB LYS 14 -1.691 -7.263 -0.326 78 HB3 LYS 14 2HB LYS 14 -0.481 -6.673 -1.457 79 HG2 LYS 14 1HG LYS 14 1.198 -6.726 0.091 80 HG3 LYS 14 2HG LYS 14 0.099 -6.495 1.453 81 HD2 LYS 14 1HD LYS 14 0.600 -8.702 1.748 82 HD3 LYS 14 2HD LYS 14 -0.783 -8.867 0.663 83 HE2 LYS 14 1HE LYS 14 2.074 -8.757 -0.284 84 HE3 LYS 14 2HE LYS 14 1.226 -10.261 0.074 85 HZ1 LYS 14 3HZ LYS 14 0.582 -8.276 -2.030 86 HZ2 LYS 14 1HZ LYS 14 -0.486 -9.506 -1.573 87 HZ3 LYS 14 2HZ LYS 14 1.022 -9.898 -2.231 88 H CYS 15 H CYS 15 0.803 -4.502 0.935 89 HA CYS 15 HA CYS 15 1.417 -2.270 -0.821 90 HB2 CYS 15 1HB CYS 15 1.681 -2.101 1.658 91 HB3 CYS 15 2HB CYS 15 2.970 -3.297 1.563 92 H ASN 16 H ASN 16 2.606 -2.502 -2.585 93 HA ASN 16 HA ASN 16 4.131 -4.924 -3.021 94 HB2 ASN 16 1HB ASN 16 3.587 -2.520 -4.772 95 HB3 ASN 16 2HB ASN 16 4.547 -3.906 -5.283 96 HD21 ASN 16 1HD2 ASN 16 3.026 -4.220 -6.967 97 HD22 ASN 16 2HD2 ASN 16 1.512 -4.992 -6.655 98 H GLU 17 H GLU 17 5.132 -3.315 -0.927 99 HA GLU 17 HA GLU 17 7.758 -2.613 -2.047 100 HB2 GLU 17 1HB GLU 17 6.155 -1.043 -0.029 101 HB3 GLU 17 2HB GLU 17 7.877 -0.800 -0.285 102 HG2 GLU 17 1HG GLU 17 5.662 -0.365 -2.269 103 HG3 GLU 17 2HG GLU 17 6.682 0.858 -1.513 104 H CYS 18 H CYS 18 5.925 -3.433 0.876 105 HA CYS 18 HA CYS 18 8.334 -4.790 1.899 106 HB2 CYS 18 1HB CYS 18 7.473 -4.329 4.185 107 HB3 CYS 18 2HB CYS 18 7.861 -2.864 3.289 108 H GLY 19 H GLY 19 4.775 -4.765 2.003 109 HA2 GLY 19 1HA GLY 19 3.748 -6.933 1.296 110 HA3 GLY 19 2HA GLY 19 4.880 -7.692 2.405 111 H LYS 20 H LYS 20 2.413 -5.117 2.437 112 HA LYS 20 HA LYS 20 1.311 -6.328 4.874 113 HB2 LYS 20 1HB LYS 20 2.763 -4.357 5.433 114 HB3 LYS 20 2HB LYS 20 1.665 -3.351 4.497 115 HG2 LYS 20 1HG LYS 20 -0.161 -3.922 6.005 116 HG3 LYS 20 2HG LYS 20 0.925 -4.955 6.937 117 HD2 LYS 20 1HD LYS 20 2.226 -3.092 7.640 118 HD3 LYS 20 2HD LYS 20 1.417 -2.016 6.499 119 HE2 LYS 20 1HE LYS 20 -0.614 -2.105 7.729 120 HE3 LYS 20 2HE LYS 20 -0.023 -3.427 8.734 121 HZ1 LYS 20 3HZ LYS 20 0.785 -1.954 10.153 122 HZ2 LYS 20 1HZ LYS 20 0.180 -0.687 9.210 123 HZ3 LYS 20 2HZ LYS 20 1.749 -1.261 8.949 124 H VAL 21 H VAL 21 -0.860 -6.465 4.916 125 HA VAL 21 HA VAL 21 -2.317 -5.312 2.640 126 HB VAL 21 HB VAL 21 -4.031 -6.977 3.037 127 HG11 VAL 21 1HG1 VAL 21 -1.292 -7.603 2.416 128 HG12 VAL 21 2HG1 VAL 21 -2.099 -8.993 3.143 129 HG13 VAL 21 3HG1 VAL 21 -2.775 -8.234 1.702 130 HG21 VAL 21 3HG2 VAL 21 -3.456 -6.940 5.601 131 HG22 VAL 21 1HG2 VAL 21 -4.157 -8.375 4.853 132 HG23 VAL 21 2HG2 VAL 21 -2.423 -8.302 5.169 133 H PHE 22 H PHE 22 -4.407 -4.382 2.974 134 HA PHE 22 HA PHE 22 -4.979 -3.524 5.722 135 HB2 PHE 22 1HB PHE 22 -4.938 -1.693 3.313 136 HB3 PHE 22 2HB PHE 22 -5.437 -1.237 4.938 137 HD1 PHE 22 HD2 PHE 22 -2.548 -2.424 2.948 138 HD2 PHE 22 HD1 PHE 22 -3.872 -0.525 6.520 139 HE1 PHE 22 HE2 PHE 22 -0.223 -1.829 3.490 140 HE2 PHE 22 HE1 PHE 22 -1.549 0.073 7.067 141 HZ PHE 22 HZ PHE 22 0.279 -0.580 5.552 142 H THR 23 H THR 23 -7.175 -2.855 6.079 143 HA THR 23 HA THR 23 -9.049 -4.457 4.619 144 HB THR 23 HB THR 23 -9.391 -4.237 6.985 145 HG1 THR 23 HG1 THR 23 -11.562 -2.927 6.753 146 HG21 THR 23 3HG2 THR 23 -9.244 -1.308 6.402 147 HG22 THR 23 1HG2 THR 23 -8.455 -2.237 7.676 148 HG23 THR 23 2HG2 THR 23 -10.178 -1.875 7.786 149 H GLN 24 H GLN 24 -8.151 -1.081 4.682 150 HA GLN 24 HA GLN 24 -10.178 -0.550 2.611 151 HB2 GLN 24 1HB GLN 24 -9.202 1.136 4.886 152 HB3 GLN 24 2HB GLN 24 -9.795 1.910 3.422 153 HG2 GLN 24 1HG GLN 24 -11.951 0.996 3.693 154 HG3 GLN 24 2HG GLN 24 -11.398 -0.128 4.933 155 HE21 GLN 24 1HE2 GLN 24 -12.855 0.566 6.461 156 HE22 GLN 24 2HE2 GLN 24 -12.747 2.110 7.228 157 H ASN 25 H ASN 25 -9.548 1.296 1.145 158 HA ASN 25 HA ASN 25 -6.915 0.757 0.097 159 HB2 ASN 25 1HB ASN 25 -8.420 0.993 -1.641 160 HB3 ASN 25 2HB ASN 25 -9.315 2.277 -0.833 161 HD21 ASN 25 1HD2 ASN 25 -6.879 1.510 -3.063 162 HD22 ASN 25 2HD2 ASN 25 -6.361 3.121 -3.414 163 H SER 26 H SER 26 -8.640 3.654 1.246 164 HA SER 26 HA SER 26 -6.674 5.541 0.987 165 HB2 SER 26 1HB SER 26 -7.711 6.664 2.983 166 HB3 SER 26 2HB SER 26 -8.868 6.175 1.746 167 HG SER 26 HG SER 26 -8.823 4.128 3.230 168 H HIS 27 H HIS 27 -7.067 3.199 3.611 169 HA HIS 27 HA HIS 27 -5.065 4.111 5.316 170 HB2 HIS 27 1HB HIS 27 -6.178 1.360 4.801 171 HB3 HIS 27 2HB HIS 27 -4.928 1.641 6.010 172 HD1 HIS 27 HD1 HIS 27 -6.680 0.851 7.812 173 HD2 HIS 27 HD2 HIS 27 -7.658 4.363 5.818 174 HE1 HIS 27 HE1 HIS 27 -8.508 1.912 9.175 175 H LEU 28 H LEU 28 -4.832 1.630 2.768 176 HA LEU 28 HA LEU 28 -2.098 1.121 3.028 177 HB2 LEU 28 1HB LEU 28 -3.422 -0.382 1.770 178 HB3 LEU 28 2HB LEU 28 -3.976 0.897 0.692 179 HG LEU 28 HG LEU 28 -1.678 1.058 -0.225 180 HD11 LEU 28 1HD1 LEU 28 0.068 -0.051 0.611 181 HD12 LEU 28 2HD1 LEU 28 -0.850 -1.545 0.788 182 HD13 LEU 28 3HD1 LEU 28 -0.938 -0.304 2.037 183 HD21 LEU 28 3HD2 LEU 28 -3.166 -1.548 -0.359 184 HD22 LEU 28 1HD2 LEU 28 -1.745 -1.223 -1.352 185 HD23 LEU 28 2HD2 LEU 28 -3.180 -0.211 -1.510 186 H VAL 29 H VAL 29 -3.773 3.325 0.787 187 HA VAL 29 HA VAL 29 -1.688 4.344 -0.638 188 HB VAL 29 HB VAL 29 -3.984 5.944 0.502 189 HG11 VAL 29 1HG1 VAL 29 -2.702 6.655 -2.071 190 HG12 VAL 29 2HG1 VAL 29 -3.436 7.689 -0.844 191 HG13 VAL 29 3HG1 VAL 29 -1.815 7.039 -0.597 192 HG21 VAL 29 3HG2 VAL 29 -4.960 4.218 -0.729 193 HG22 VAL 29 1HG2 VAL 29 -4.860 5.549 -1.882 194 HG23 VAL 29 2HG2 VAL 29 -3.683 4.236 -1.946 195 H ARG 30 H ARG 30 -2.614 5.197 2.660 196 HA ARG 30 HA ARG 30 -0.674 7.286 2.911 197 HB2 ARG 30 1HB ARG 30 -2.514 5.859 4.796 198 HB3 ARG 30 2HB ARG 30 -1.226 6.871 5.438 199 HG2 ARG 30 1HG ARG 30 -2.105 8.800 4.306 200 HG3 ARG 30 2HG ARG 30 -3.318 7.812 3.489 201 HD2 ARG 30 1HD ARG 30 -3.986 7.163 5.940 202 HD3 ARG 30 2HD ARG 30 -3.171 8.675 6.341 203 HE ARG 30 HE ARG 30 -4.941 9.196 4.255 204 HH11 ARG 30 1HH1 ARG 30 -5.042 8.207 7.592 205 HH12 ARG 30 2HH1 ARG 30 -6.590 8.923 7.893 206 HH21 ARG 30 1HH2 ARG 30 -6.981 10.143 4.639 207 HH22 ARG 30 2HH2 ARG 30 -7.693 10.023 6.212 208 H HIS 31 H HIS 31 -0.835 3.881 3.831 209 HA HIS 31 HA HIS 31 1.381 3.636 5.435 210 HB2 HIS 31 1HB HIS 31 0.048 1.711 5.139 211 HB3 HIS 31 2HB HIS 31 0.207 1.767 3.386 212 HD1 HIS 31 HD1 HIS 31 2.227 0.942 6.473 213 HD2 HIS 31 HD2 HIS 31 2.304 0.329 2.364 214 HE1 HIS 31 HE1 HIS 31 4.095 -0.693 6.072 215 H ARG 32 H ARG 32 1.322 3.349 1.882 216 HA ARG 32 HA ARG 32 3.951 2.876 1.350 217 HB2 ARG 32 1HB ARG 32 1.841 4.427 -0.081 218 HB3 ARG 32 2HB ARG 32 3.492 4.517 -0.680 219 HG2 ARG 32 1HG ARG 32 2.751 2.762 -1.909 220 HG3 ARG 32 2HG ARG 32 3.319 1.885 -0.487 221 HD2 ARG 32 1HD ARG 32 1.242 0.967 -0.681 222 HD3 ARG 32 2HD ARG 32 0.848 2.353 0.335 223 HE ARG 32 HE ARG 32 -0.282 3.307 -1.436 224 HH11 ARG 32 1HH1 ARG 32 1.486 0.506 -2.508 225 HH12 ARG 32 2HH1 ARG 32 0.711 0.447 -4.056 226 HH21 ARG 32 1HH2 ARG 32 -1.311 3.240 -3.471 227 HH22 ARG 32 2HH2 ARG 32 -0.880 2.003 -4.603 228 H GLY 33 H GLY 33 2.601 5.726 2.730 229 HA2 GLY 33 1HA GLY 33 4.383 7.714 2.036 230 HA3 GLY 33 2HA GLY 33 3.605 7.598 3.607 231 H ILE 34 H ILE 34 4.853 5.067 4.296 232 HA ILE 34 HA ILE 34 7.219 6.075 5.492 233 HB ILE 34 HB ILE 34 7.550 3.870 6.392 234 HG12 ILE 34 1HG1 ILE 34 5.284 2.813 4.719 235 HG13 ILE 34 2HG1 ILE 34 6.942 2.773 4.127 236 HG21 ILE 34 1HG2 ILE 34 5.937 4.454 7.805 237 HG22 ILE 34 2HG2 ILE 34 5.027 5.254 6.524 238 HG23 ILE 34 3HG2 ILE 34 4.814 3.527 6.810 239 HD11 ILE 34 3HD1 ILE 34 7.227 0.865 5.198 240 HD12 ILE 34 1HD1 ILE 34 7.002 1.715 6.726 241 HD13 ILE 34 2HD1 ILE 34 5.618 0.985 5.911 242 H HIS 35 H HIS 35 6.569 4.524 2.486 243 HA HIS 35 HA HIS 35 9.343 3.752 2.069 244 HB2 HIS 35 1HB HIS 35 6.916 3.522 0.278 245 HB3 HIS 35 2HB HIS 35 8.519 2.914 -0.124 246 HD1 HIS 35 HD1 HIS 35 9.225 0.698 0.897 247 HD2 HIS 35 HD2 HIS 35 5.578 2.076 2.334 248 HE1 HIS 35 HE1 HIS 35 8.245 -1.220 2.194 249 H THR 36 H THR 36 9.565 6.292 2.450 250 HA THR 36 HA THR 36 9.932 7.431 -0.231 251 HB THR 36 HB THR 36 9.267 9.668 0.624 252 HG1 THR 36 HG1 THR 36 9.430 9.445 2.826 253 HG21 THR 36 3HG2 THR 36 7.022 9.377 0.173 254 HG22 THR 36 1HG2 THR 36 6.926 7.867 1.078 255 HG23 THR 36 2HG2 THR 36 7.700 7.897 -0.506 256 H GLY 37 H GLY 37 11.809 8.539 -0.525 257 HA2 GLY 37 1HA GLY 37 13.666 9.835 0.223 258 HA3 GLY 37 2HA GLY 37 13.433 9.181 1.837 259 H GLU 38 H GLU 38 13.394 6.506 1.460 260 HA GLU 38 HA GLU 38 16.118 5.870 1.193 261 HB2 GLU 38 1HB GLU 38 14.274 4.607 2.464 262 HB3 GLU 38 2HB GLU 38 13.896 3.859 0.919 263 HG2 GLU 38 1HG GLU 38 15.931 2.740 0.820 264 HG3 GLU 38 2HG GLU 38 16.678 3.796 2.017 265 H LYS 39 H LYS 39 13.867 6.527 -1.173 266 HA LYS 39 HA LYS 39 13.712 6.134 -3.418 267 HB2 LYS 39 1HB LYS 39 16.673 6.255 -2.909 268 HB3 LYS 39 2HB LYS 39 16.041 6.033 -4.535 269 HG2 LYS 39 1HG LYS 39 14.820 8.130 -4.364 270 HG3 LYS 39 2HG LYS 39 15.411 8.349 -2.716 271 HD2 LYS 39 1HD LYS 39 17.566 8.805 -3.409 272 HD3 LYS 39 2HD LYS 39 17.365 7.949 -4.940 273 HE2 LYS 39 1HE LYS 39 17.364 10.170 -5.597 274 HE3 LYS 39 2HE LYS 39 15.643 9.806 -5.473 275 HZ1 LYS 39 3HZ LYS 39 16.917 10.824 -3.066 276 HZ2 LYS 39 1HZ LYS 39 15.391 11.165 -3.712 277 HZ3 LYS 39 2HZ LYS 39 16.764 11.923 -4.343 278 HA PRO 40 HA PRO 40 14.547 1.521 -2.803 279 HB2 PRO 40 1HB PRO 40 11.953 0.751 -2.573 280 HB3 PRO 40 2HB PRO 40 12.945 1.214 -1.185 281 HG2 PRO 40 1HG PRO 40 10.925 2.829 -2.693 282 HG3 PRO 40 2HG PRO 40 11.182 2.712 -0.942 283 HD2 PRO 40 1HD PRO 40 12.104 4.789 -2.415 284 HD3 PRO 40 2HD PRO 40 12.954 4.186 -0.977 285 H SER 41 H SER 41 14.491 0.115 -4.492 286 HA SER 41 HA SER 41 12.857 0.877 -6.824 287 HB2 SER 41 1HB SER 41 14.711 -0.136 -8.211 288 HB3 SER 41 2HB SER 41 15.141 1.354 -7.371 289 HG SER 41 HG SER 41 15.959 -0.143 -5.675 290 H GLY 42 H GLY 42 14.508 -1.830 -5.211 291 HA2 GLY 42 1HA GLY 42 12.643 -3.683 -6.535 292 HA3 GLY 42 2HA GLY 42 14.170 -4.133 -5.790 293 HA PRO 43 HA PRO 43 10.359 -4.327 -2.833 294 HB2 PRO 43 1HB PRO 43 9.348 -6.786 -3.384 295 HB3 PRO 43 2HB PRO 43 8.767 -5.311 -4.165 296 HG2 PRO 43 1HG PRO 43 10.697 -7.360 -5.184 297 HG3 PRO 43 2HG PRO 43 9.369 -6.552 -6.038 298 HD2 PRO 43 1HD PRO 43 11.954 -5.793 -6.312 299 HD3 PRO 43 2HD PRO 43 10.605 -4.643 -6.412 300 H SER 44 H SER 44 11.258 -4.769 -0.928 301 HA SER 44 HA SER 44 13.465 -6.232 -0.355 302 HB2 SER 44 1HB SER 44 12.304 -4.811 1.290 303 HB3 SER 44 2HB SER 44 11.021 -6.014 1.421 304 HG SER 44 HG SER 44 12.323 -6.572 3.039 305 H SER 45 H SER 45 13.958 -8.250 -0.882 306 HA SER 45 HA SER 45 12.110 -10.263 -1.511 307 HB2 SER 45 1HB SER 45 14.058 -11.796 -1.437 308 HB3 SER 45 2HB SER 45 14.403 -10.323 -2.342 309 HG SER 45 HG SER 45 15.251 -9.563 -0.195 310 H GLY 46 H GLY 46 11.439 -12.111 -0.401 311 HA2 GLY 46 1HA GLY 46 11.444 -13.537 1.536 312 HA3 GLY 46 2HA GLY 46 11.991 -12.167 2.491 Start of MODEL 9 1 H1 GLY 1 H GLY 1 5.839 -29.156 0.127 2 HA2 GLY 1 1HA GLY 1 4.652 -29.983 2.370 3 HA3 GLY 1 2HA GLY 1 6.200 -29.441 3.000 4 H SER 2 H SER 2 5.044 -27.877 4.250 5 HA SER 2 HA SER 2 4.376 -25.486 2.677 6 HB2 SER 2 1HB SER 2 2.549 -24.994 4.320 7 HB3 SER 2 2HB SER 2 2.246 -26.420 3.329 8 HG SER 2 HG SER 2 3.403 -27.463 5.298 9 H SER 3 H SER 3 6.418 -24.638 3.171 10 HA SER 3 HA SER 3 7.162 -24.288 5.957 11 HB2 SER 3 1HB SER 3 9.240 -23.358 5.091 12 HB3 SER 3 2HB SER 3 8.874 -24.867 4.255 13 HG SER 3 HG SER 3 8.054 -23.618 2.525 14 H GLY 4 H GLY 4 6.121 -22.728 7.027 15 HA2 GLY 4 1HA GLY 4 5.184 -20.690 7.529 16 HA3 GLY 4 2HA GLY 4 6.519 -20.033 6.595 17 H SER 5 H SER 5 3.321 -21.532 6.148 18 HA SER 5 HA SER 5 2.988 -20.006 3.673 19 HB2 SER 5 1HB SER 5 1.560 -22.368 4.871 20 HB3 SER 5 2HB SER 5 0.820 -21.429 3.575 21 HG SER 5 HG SER 5 2.466 -21.990 2.225 22 H SER 6 H SER 6 1.181 -18.673 3.307 23 HA SER 6 HA SER 6 0.508 -16.885 5.275 24 HB2 SER 6 1HB SER 6 0.093 -16.466 2.897 25 HB3 SER 6 2HB SER 6 -1.182 -17.685 2.892 26 HG SER 6 HG SER 6 -1.162 -15.123 4.024 27 H GLY 7 H GLY 7 -0.331 -17.378 7.202 28 HA2 GLY 7 1HA GLY 7 -2.565 -19.301 7.305 29 HA3 GLY 7 2HA GLY 7 -1.493 -18.931 8.648 30 H THR 8 H THR 8 -3.135 -16.680 6.464 31 HA THR 8 HA THR 8 -5.063 -15.943 8.489 32 HB THR 8 HB THR 8 -3.113 -14.643 9.209 33 HG1 THR 8 HG1 THR 8 -4.576 -13.199 9.674 34 HG21 THR 8 3HG2 THR 8 -3.237 -13.369 6.473 35 HG22 THR 8 1HG2 THR 8 -1.991 -14.492 7.017 36 HG23 THR 8 2HG2 THR 8 -2.155 -12.915 7.790 37 H GLY 9 H GLY 9 -6.610 -14.327 7.711 38 HA2 GLY 9 1HA GLY 9 -7.672 -14.867 5.244 39 HA3 GLY 9 2HA GLY 9 -7.943 -13.358 6.103 40 H GLU 10 H GLU 10 -7.536 -14.076 3.191 41 HA GLU 10 HA GLU 10 -5.133 -12.516 2.593 42 HB2 GLU 10 1HB GLU 10 -5.622 -14.724 1.446 43 HB3 GLU 10 2HB GLU 10 -6.947 -13.910 0.626 44 HG2 GLU 10 1HG GLU 10 -5.237 -12.250 -0.212 45 HG3 GLU 10 2HG GLU 10 -4.007 -13.363 0.385 46 H LYS 11 H LYS 11 -5.236 -10.447 2.035 47 HA LYS 11 HA LYS 11 -7.867 -9.286 1.447 48 HB2 LYS 11 1HB LYS 11 -5.334 -8.204 2.618 49 HB3 LYS 11 2HB LYS 11 -6.454 -7.103 1.826 50 HG2 LYS 11 1HG LYS 11 -7.136 -6.978 4.015 51 HG3 LYS 11 2HG LYS 11 -8.224 -8.211 3.373 52 HD2 LYS 11 1HD LYS 11 -7.043 -9.950 4.405 53 HD3 LYS 11 2HD LYS 11 -5.616 -8.945 4.668 54 HE2 LYS 11 1HE LYS 11 -8.195 -8.177 5.954 55 HE3 LYS 11 2HE LYS 11 -7.257 -9.502 6.640 56 HZ1 LYS 11 3HZ LYS 11 -6.225 -7.862 7.735 57 HZ2 LYS 11 1HZ LYS 11 -6.719 -6.662 6.649 58 HZ3 LYS 11 2HZ LYS 11 -5.377 -7.626 6.290 59 HA PRO 12 HA PRO 12 -6.798 -8.614 -2.769 60 HB2 PRO 12 1HB PRO 12 -8.463 -6.539 -3.314 61 HB3 PRO 12 2HB PRO 12 -9.032 -8.201 -3.115 62 HG2 PRO 12 1HG PRO 12 -9.052 -5.942 -1.150 63 HG3 PRO 12 2HG PRO 12 -10.318 -7.134 -1.498 64 HD2 PRO 12 1HD PRO 12 -8.674 -7.338 0.644 65 HD3 PRO 12 2HD PRO 12 -9.320 -8.759 -0.202 66 H TYR 13 H TYR 13 -6.201 -6.362 -0.298 67 HA TYR 13 HA TYR 13 -4.678 -4.638 -2.140 68 HB2 TYR 13 1HB TYR 13 -5.954 -4.024 0.527 69 HB3 TYR 13 2HB TYR 13 -4.796 -2.950 -0.250 70 HD1 TYR 13 HD2 TYR 13 -8.195 -4.306 -0.373 71 HD2 TYR 13 HD1 TYR 13 -5.400 -1.699 -2.242 72 HE1 TYR 13 HE2 TYR 13 -10.021 -3.284 -1.666 73 HE2 TYR 13 HE1 TYR 13 -7.218 -0.669 -3.539 74 HH TYR 13 HH TYR 13 -9.406 -1.015 -4.239 75 H LYS 14 H LYS 14 -2.534 -4.580 -1.946 76 HA LYS 14 HA LYS 14 -1.265 -5.304 0.577 77 HB2 LYS 14 1HB LYS 14 -1.469 -7.414 -0.707 78 HB3 LYS 14 2HB LYS 14 -0.570 -6.676 -2.027 79 HG2 LYS 14 1HG LYS 14 1.423 -6.722 -0.878 80 HG3 LYS 14 2HG LYS 14 0.634 -6.770 0.701 81 HD2 LYS 14 1HD LYS 14 0.281 -9.030 0.608 82 HD3 LYS 14 2HD LYS 14 0.202 -9.054 -1.155 83 HE2 LYS 14 1HE LYS 14 2.730 -8.566 0.410 84 HE3 LYS 14 2HE LYS 14 2.229 -10.152 -0.175 85 HZ1 LYS 14 3HZ LYS 14 3.818 -8.638 -1.573 86 HZ2 LYS 14 1HZ LYS 14 2.367 -7.941 -2.093 87 HZ3 LYS 14 2HZ LYS 14 2.645 -9.592 -2.331 88 H CYS 15 H CYS 15 0.749 -4.392 0.879 89 HA CYS 15 HA CYS 15 1.362 -2.147 -0.817 90 HB2 CYS 15 1HB CYS 15 1.539 -2.045 1.664 91 HB3 CYS 15 2HB CYS 15 2.873 -3.192 1.586 92 H ASN 16 H ASN 16 2.625 -2.230 -2.542 93 HA ASN 16 HA ASN 16 4.295 -4.545 -3.027 94 HB2 ASN 16 1HB ASN 16 2.811 -3.164 -4.723 95 HB3 ASN 16 2HB ASN 16 4.263 -2.175 -4.850 96 HD21 ASN 16 1HD2 ASN 16 5.261 -2.686 -6.655 97 HD22 ASN 16 2HD2 ASN 16 5.571 -4.287 -7.228 98 H GLU 17 H GLU 17 5.094 -2.884 -0.839 99 HA GLU 17 HA GLU 17 7.722 -2.011 -1.837 100 HB2 GLU 17 1HB GLU 17 6.184 -0.681 0.399 101 HB3 GLU 17 2HB GLU 17 7.738 -0.179 -0.253 102 HG2 GLU 17 1HG GLU 17 5.431 -0.347 -2.112 103 HG3 GLU 17 2HG GLU 17 5.484 0.988 -0.962 104 H CYS 18 H CYS 18 5.873 -3.036 1.018 105 HA CYS 18 HA CYS 18 8.334 -4.289 2.051 106 HB2 CYS 18 1HB CYS 18 7.343 -4.027 4.317 107 HB3 CYS 18 2HB CYS 18 7.650 -2.489 3.518 108 H GLY 19 H GLY 19 4.811 -4.574 1.790 109 HA2 GLY 19 1HA GLY 19 3.986 -6.759 0.997 110 HA3 GLY 19 2HA GLY 19 5.133 -7.495 2.106 111 H LYS 20 H LYS 20 2.783 -4.852 2.508 112 HA LYS 20 HA LYS 20 1.526 -6.431 4.654 113 HB2 LYS 20 1HB LYS 20 2.994 -4.328 5.251 114 HB3 LYS 20 2HB LYS 20 1.558 -3.441 4.756 115 HG2 LYS 20 1HG LYS 20 0.246 -4.754 6.403 116 HG3 LYS 20 2HG LYS 20 1.754 -5.485 6.956 117 HD2 LYS 20 1HD LYS 20 2.516 -2.991 7.207 118 HD3 LYS 20 2HD LYS 20 0.780 -2.678 7.252 119 HE2 LYS 20 1HE LYS 20 0.493 -3.800 9.237 120 HE3 LYS 20 2HE LYS 20 1.899 -4.832 8.981 121 HZ1 LYS 20 3HZ LYS 20 1.785 -2.603 10.565 122 HZ2 LYS 20 1HZ LYS 20 2.628 -2.084 9.193 123 HZ3 LYS 20 2HZ LYS 20 3.187 -3.414 10.076 124 H VAL 21 H VAL 21 -0.639 -6.608 4.594 125 HA VAL 21 HA VAL 21 -2.043 -5.195 2.435 126 HB VAL 21 HB VAL 21 -3.757 -6.920 2.598 127 HG11 VAL 21 1HG1 VAL 21 -2.560 -8.127 1.171 128 HG12 VAL 21 2HG1 VAL 21 -1.110 -7.289 1.725 129 HG13 VAL 21 3HG1 VAL 21 -1.602 -8.801 2.489 130 HG21 VAL 21 3HG2 VAL 21 -3.814 -7.497 4.875 131 HG22 VAL 21 1HG2 VAL 21 -3.212 -8.940 4.058 132 HG23 VAL 21 2HG2 VAL 21 -2.092 -7.877 4.909 133 H PHE 22 H PHE 22 -4.115 -4.285 2.806 134 HA PHE 22 HA PHE 22 -4.800 -3.804 5.623 135 HB2 PHE 22 1HB PHE 22 -4.765 -1.686 3.462 136 HB3 PHE 22 2HB PHE 22 -5.254 -1.450 5.137 137 HD1 PHE 22 HD2 PHE 22 -2.338 -2.651 3.149 138 HD2 PHE 22 HD1 PHE 22 -3.715 -0.612 6.622 139 HE1 PHE 22 HE2 PHE 22 -0.014 -2.103 3.744 140 HE2 PHE 22 HE1 PHE 22 -1.394 -0.059 7.222 141 HZ PHE 22 HZ PHE 22 0.460 -0.806 5.783 142 H THR 23 H THR 23 -7.032 -2.606 5.680 143 HA THR 23 HA THR 23 -8.866 -4.299 4.191 144 HB THR 23 HB THR 23 -10.617 -3.218 5.632 145 HG1 THR 23 HG1 THR 23 -10.072 -1.594 6.880 146 HG21 THR 23 3HG2 THR 23 -9.272 -4.130 7.830 147 HG22 THR 23 1HG2 THR 23 -8.403 -4.922 6.517 148 HG23 THR 23 2HG2 THR 23 -10.144 -5.148 6.685 149 H GLN 24 H GLN 24 -8.357 -0.817 4.730 150 HA GLN 24 HA GLN 24 -10.050 -0.264 2.395 151 HB2 GLN 24 1HB GLN 24 -9.254 1.350 4.792 152 HB3 GLN 24 2HB GLN 24 -9.780 2.160 3.323 153 HG2 GLN 24 1HG GLN 24 -11.411 0.049 4.703 154 HG3 GLN 24 2HG GLN 24 -11.547 1.769 5.067 155 HE21 GLN 24 1HE2 GLN 24 -13.402 2.422 4.234 156 HE22 GLN 24 2HE2 GLN 24 -13.945 2.127 2.620 157 H ASN 25 H ASN 25 -9.290 0.823 0.632 158 HA ASN 25 HA ASN 25 -6.627 0.597 -0.090 159 HB2 ASN 25 1HB ASN 25 -8.112 0.891 -1.870 160 HB3 ASN 25 2HB ASN 25 -8.886 2.285 -1.121 161 HD21 ASN 25 1HD2 ASN 25 -5.825 1.200 -2.512 162 HD22 ASN 25 2HD2 ASN 25 -5.374 2.736 -3.162 163 H SER 26 H SER 26 -8.344 3.440 1.167 164 HA SER 26 HA SER 26 -6.366 5.339 1.004 165 HB2 SER 26 1HB SER 26 -8.616 5.876 1.772 166 HB3 SER 26 2HB SER 26 -8.364 4.940 3.245 167 HG SER 26 HG SER 26 -7.900 6.960 3.863 168 H HIS 27 H HIS 27 -6.956 3.180 3.781 169 HA HIS 27 HA HIS 27 -4.835 3.949 5.373 170 HB2 HIS 27 1HB HIS 27 -6.051 1.201 5.031 171 HB3 HIS 27 2HB HIS 27 -4.950 1.641 6.333 172 HD1 HIS 27 HD1 HIS 27 -7.896 0.695 6.804 173 HD2 HIS 27 HD2 HIS 27 -6.631 4.651 6.699 174 HE1 HIS 27 HE1 HIS 27 -9.614 1.986 8.111 175 H LEU 28 H LEU 28 -4.876 1.506 2.800 176 HA LEU 28 HA LEU 28 -2.210 0.656 3.110 177 HB2 LEU 28 1HB LEU 28 -3.696 -0.711 1.875 178 HB3 LEU 28 2HB LEU 28 -4.104 0.605 0.777 179 HG LEU 28 HG LEU 28 -1.801 0.496 -0.135 180 HD11 LEU 28 1HD1 LEU 28 -0.238 -1.051 0.521 181 HD12 LEU 28 2HD1 LEU 28 -1.443 -2.146 1.197 182 HD13 LEU 28 3HD1 LEU 28 -1.004 -0.675 2.064 183 HD21 LEU 28 3HD2 LEU 28 -2.532 -0.937 -1.682 184 HD22 LEU 28 1HD2 LEU 28 -3.966 -1.119 -0.670 185 HD23 LEU 28 2HD2 LEU 28 -2.633 -2.265 -0.525 186 H VAL 29 H VAL 29 -3.667 3.135 1.036 187 HA VAL 29 HA VAL 29 -1.360 3.856 -0.379 188 HB VAL 29 HB VAL 29 -3.717 5.585 0.385 189 HG11 VAL 29 1HG1 VAL 29 -2.332 6.244 -2.080 190 HG12 VAL 29 2HG1 VAL 29 -2.822 7.288 -0.744 191 HG13 VAL 29 3HG1 VAL 29 -1.296 6.407 -0.662 192 HG21 VAL 29 3HG2 VAL 29 -3.851 3.363 -1.092 193 HG22 VAL 29 1HG2 VAL 29 -4.837 4.788 -1.421 194 HG23 VAL 29 2HG2 VAL 29 -3.364 4.502 -2.348 195 H ARG 30 H ARG 30 -2.806 5.441 2.474 196 HA ARG 30 HA ARG 30 -0.844 7.348 2.898 197 HB2 ARG 30 1HB ARG 30 -1.739 7.637 5.059 198 HB3 ARG 30 2HB ARG 30 -3.089 7.085 4.077 199 HG2 ARG 30 1HG ARG 30 -3.124 4.992 5.067 200 HG3 ARG 30 2HG ARG 30 -1.461 5.128 5.641 201 HD2 ARG 30 1HD ARG 30 -2.298 7.026 7.117 202 HD3 ARG 30 2HD ARG 30 -3.924 6.479 6.710 203 HE ARG 30 HE ARG 30 -2.766 4.220 7.585 204 HH11 ARG 30 1HH1 ARG 30 -2.914 7.436 8.910 205 HH12 ARG 30 2HH1 ARG 30 -2.844 6.902 10.557 206 HH21 ARG 30 1HH2 ARG 30 -2.673 3.504 9.749 207 HH22 ARG 30 2HH2 ARG 30 -2.706 4.665 11.033 208 H HIS 31 H HIS 31 -0.890 3.953 3.766 209 HA HIS 31 HA HIS 31 1.309 3.985 5.539 210 HB2 HIS 31 1HB HIS 31 0.083 2.035 5.720 211 HB3 HIS 31 2HB HIS 31 -0.126 1.880 3.978 212 HD1 HIS 31 HD1 HIS 31 2.167 0.980 6.764 213 HD2 HIS 31 HD2 HIS 31 2.003 0.608 2.629 214 HE1 HIS 31 HE1 HIS 31 3.964 -0.675 6.166 215 H ARG 32 H ARG 32 1.070 3.363 2.054 216 HA ARG 32 HA ARG 32 3.644 2.613 1.479 217 HB2 ARG 32 1HB ARG 32 1.982 4.507 -0.189 218 HB3 ARG 32 2HB ARG 32 3.290 3.479 -0.760 219 HG2 ARG 32 1HG ARG 32 1.820 1.545 0.156 220 HG3 ARG 32 2HG ARG 32 0.521 2.735 0.064 221 HD2 ARG 32 1HD ARG 32 2.262 1.724 -2.175 222 HD3 ARG 32 2HD ARG 32 0.522 1.513 -1.982 223 HE ARG 32 HE ARG 32 1.276 4.265 -2.118 224 HH11 ARG 32 1HH1 ARG 32 0.632 1.423 -4.023 225 HH12 ARG 32 2HH1 ARG 32 0.183 2.315 -5.439 226 HH21 ARG 32 1HH2 ARG 32 0.687 5.450 -3.975 227 HH22 ARG 32 2HH2 ARG 32 0.215 4.606 -5.411 228 H GLY 33 H GLY 33 2.566 5.636 2.669 229 HA2 GLY 33 1HA GLY 33 4.467 7.405 1.654 230 HA3 GLY 33 2HA GLY 33 3.686 7.561 3.220 231 H ILE 34 H ILE 34 4.678 5.241 4.450 232 HA ILE 34 HA ILE 34 6.998 6.092 5.624 233 HB ILE 34 HB ILE 34 7.319 3.895 6.492 234 HG12 ILE 34 1HG1 ILE 34 5.449 2.871 4.347 235 HG13 ILE 34 2HG1 ILE 34 7.202 2.729 4.286 236 HG21 ILE 34 1HG2 ILE 34 5.300 5.139 7.225 237 HG22 ILE 34 2HG2 ILE 34 4.359 4.233 6.041 238 HG23 ILE 34 3HG2 ILE 34 5.143 3.389 7.376 239 HD11 ILE 34 3HD1 ILE 34 5.253 1.114 5.687 240 HD12 ILE 34 1HD1 ILE 34 6.932 0.765 5.277 241 HD13 ILE 34 2HD1 ILE 34 6.552 1.668 6.744 242 H HIS 35 H HIS 35 6.624 4.475 2.569 243 HA HIS 35 HA HIS 35 9.488 4.000 2.317 244 HB2 HIS 35 1HB HIS 35 7.354 3.490 0.242 245 HB3 HIS 35 2HB HIS 35 8.972 2.797 0.314 246 HD1 HIS 35 HD1 HIS 35 9.320 1.337 2.698 247 HD2 HIS 35 HD2 HIS 35 5.487 1.777 1.157 248 HE1 HIS 35 HE1 HIS 35 7.962 -0.508 3.736 249 H THR 36 H THR 36 6.950 5.713 0.490 250 HA THR 36 HA THR 36 9.050 7.448 -0.631 251 HB THR 36 HB THR 36 7.775 6.203 -2.326 252 HG1 THR 36 HG1 THR 36 7.698 8.993 -2.139 253 HG21 THR 36 3HG2 THR 36 5.346 7.796 -1.565 254 HG22 THR 36 1HG2 THR 36 5.651 6.203 -0.875 255 HG23 THR 36 2HG2 THR 36 5.459 6.387 -2.619 256 H GLY 37 H GLY 37 9.198 9.305 0.451 257 HA2 GLY 37 1HA GLY 37 7.510 11.374 0.474 258 HA3 GLY 37 2HA GLY 37 6.874 10.416 1.803 259 H GLU 38 H GLU 38 8.709 12.997 1.188 260 HA GLU 38 HA GLU 38 10.974 12.567 2.858 261 HB2 GLU 38 1HB GLU 38 9.686 15.160 1.989 262 HB3 GLU 38 2HB GLU 38 11.280 15.003 2.712 263 HG2 GLU 38 1HG GLU 38 10.396 13.925 0.046 264 HG3 GLU 38 2HG GLU 38 11.491 15.276 0.336 265 H LYS 39 H LYS 39 11.185 12.729 5.000 266 HA LYS 39 HA LYS 39 8.924 13.839 6.531 267 HB2 LYS 39 1HB LYS 39 9.366 11.303 6.636 268 HB3 LYS 39 2HB LYS 39 10.789 11.724 7.580 269 HG2 LYS 39 1HG LYS 39 8.138 12.811 8.392 270 HG3 LYS 39 2HG LYS 39 8.535 11.130 8.754 271 HD2 LYS 39 1HD LYS 39 10.622 11.925 9.853 272 HD3 LYS 39 2HD LYS 39 10.073 13.584 9.599 273 HE2 LYS 39 1HE LYS 39 8.466 11.520 11.090 274 HE3 LYS 39 2HE LYS 39 9.609 12.606 11.878 275 HZ1 LYS 39 3HZ LYS 39 7.976 14.079 11.983 276 HZ2 LYS 39 1HZ LYS 39 6.950 13.116 11.043 277 HZ3 LYS 39 2HZ LYS 39 8.009 14.202 10.296 278 HA PRO 40 HA PRO 40 12.618 16.426 7.495 279 HB2 PRO 40 1HB PRO 40 11.220 18.748 7.641 280 HB3 PRO 40 2HB PRO 40 11.838 18.093 6.120 281 HG2 PRO 40 1HG PRO 40 9.079 17.931 7.270 282 HG3 PRO 40 2HG PRO 40 9.578 18.260 5.600 283 HD2 PRO 40 1HD PRO 40 8.712 15.825 6.408 284 HD3 PRO 40 2HD PRO 40 9.929 16.031 5.132 285 H SER 41 H SER 41 13.291 16.720 9.528 286 HA SER 41 HA SER 41 11.837 15.998 11.765 287 HB2 SER 41 1HB SER 41 13.603 17.163 13.079 288 HB3 SER 41 2HB SER 41 14.263 16.129 11.813 289 HG SER 41 HG SER 41 14.146 18.254 10.552 290 H GLY 42 H GLY 42 11.623 18.863 9.943 291 HA2 GLY 42 1HA GLY 42 9.405 19.879 11.244 292 HA3 GLY 42 2HA GLY 42 10.792 20.652 11.998 293 HA PRO 43 HA PRO 43 9.559 22.494 7.715 294 HB2 PRO 43 1HB PRO 43 7.667 24.305 8.428 295 HB3 PRO 43 2HB PRO 43 7.277 22.658 7.919 296 HG2 PRO 43 1HG PRO 43 7.474 23.790 10.684 297 HG3 PRO 43 2HG PRO 43 6.258 22.688 10.010 298 HD2 PRO 43 1HD PRO 43 8.305 21.827 11.560 299 HD3 PRO 43 2HD PRO 43 7.614 20.840 10.256 300 H SER 44 H SER 44 10.574 23.429 10.784 301 HA SER 44 HA SER 44 12.035 25.034 11.486 302 HB2 SER 44 1HB SER 44 13.012 24.685 9.148 303 HB3 SER 44 2HB SER 44 12.105 26.121 8.671 304 HG SER 44 HG SER 44 13.244 27.042 10.657 305 H SER 45 H SER 45 9.258 25.418 11.679 306 HA SER 45 HA SER 45 9.141 28.354 11.621 307 HB2 SER 45 1HB SER 45 6.800 28.286 10.935 308 HB3 SER 45 2HB SER 45 7.799 27.459 9.741 309 HG SER 45 HG SER 45 5.991 26.390 11.604 310 H GLY 46 H GLY 46 7.371 29.199 13.071 311 HA2 GLY 46 1HA GLY 46 5.881 28.649 14.951 312 HA3 GLY 46 2HA GLY 46 7.065 27.441 15.428 Start of MODEL 10 1 H1 GLY 1 H GLY 1 7.899 -22.811 17.811 2 HA2 GLY 1 1HA GLY 1 5.740 -23.906 19.473 3 HA3 GLY 1 2HA GLY 1 6.002 -22.168 19.480 4 H SER 2 H SER 2 3.679 -22.331 18.753 5 HA SER 2 HA SER 2 2.827 -23.340 16.340 6 HB2 SER 2 1HB SER 2 1.124 -21.501 16.364 7 HB3 SER 2 2HB SER 2 1.254 -22.368 17.894 8 HG SER 2 HG SER 2 1.214 -19.979 17.970 9 H SER 3 H SER 3 3.095 -22.854 14.247 10 HA SER 3 HA SER 3 4.378 -20.303 13.548 11 HB2 SER 3 1HB SER 3 5.146 -23.026 12.469 12 HB3 SER 3 2HB SER 3 5.778 -21.487 11.884 13 HG SER 3 HG SER 3 5.963 -22.119 14.614 14 H GLY 4 H GLY 4 3.425 -19.254 11.915 15 HA2 GLY 4 1HA GLY 4 2.171 -18.875 10.012 16 HA3 GLY 4 2HA GLY 4 2.100 -20.614 9.764 17 H SER 5 H SER 5 0.024 -18.476 9.590 18 HA SER 5 HA SER 5 -1.807 -19.230 11.735 19 HB2 SER 5 1HB SER 5 -1.681 -17.028 9.735 20 HB3 SER 5 2HB SER 5 -3.279 -17.531 10.286 21 HG SER 5 HG SER 5 -1.231 -17.030 12.148 22 H SER 6 H SER 6 -2.930 -21.035 11.453 23 HA SER 6 HA SER 6 -3.271 -22.497 9.160 24 HB2 SER 6 1HB SER 6 -5.165 -22.264 11.509 25 HB3 SER 6 2HB SER 6 -5.246 -23.529 10.283 26 HG SER 6 HG SER 6 -3.770 -23.490 12.467 27 H GLY 7 H GLY 7 -5.752 -20.334 10.551 28 HA2 GLY 7 1HA GLY 7 -7.577 -20.467 8.466 29 HA3 GLY 7 2HA GLY 7 -7.400 -19.091 9.546 30 H THR 8 H THR 8 -8.159 -18.780 6.900 31 HA THR 8 HA THR 8 -5.950 -18.179 5.206 32 HB THR 8 HB THR 8 -7.634 -17.002 3.795 33 HG1 THR 8 HG1 THR 8 -8.966 -16.449 5.729 34 HG21 THR 8 3HG2 THR 8 -7.398 -19.733 4.334 35 HG22 THR 8 1HG2 THR 8 -8.108 -18.991 2.902 36 HG23 THR 8 2HG2 THR 8 -9.133 -19.424 4.271 37 H GLY 9 H GLY 9 -4.967 -16.243 4.748 38 HA2 GLY 9 1HA GLY 9 -5.880 -13.843 6.159 39 HA3 GLY 9 2HA GLY 9 -4.254 -14.418 6.494 40 H GLU 10 H GLU 10 -6.383 -13.377 3.855 41 HA GLU 10 HA GLU 10 -4.099 -12.019 2.638 42 HB2 GLU 10 1HB GLU 10 -5.915 -13.927 1.155 43 HB3 GLU 10 2HB GLU 10 -4.755 -12.851 0.388 44 HG2 GLU 10 1HG GLU 10 -2.946 -13.988 1.643 45 HG3 GLU 10 2HG GLU 10 -4.143 -15.126 2.259 46 H LYS 11 H LYS 11 -4.768 -10.459 0.959 47 HA LYS 11 HA LYS 11 -7.561 -9.659 0.981 48 HB2 LYS 11 1HB LYS 11 -5.345 -7.955 2.114 49 HB3 LYS 11 2HB LYS 11 -6.870 -7.276 1.559 50 HG2 LYS 11 1HG LYS 11 -6.738 -9.447 3.628 51 HG3 LYS 11 2HG LYS 11 -6.652 -7.733 4.039 52 HD2 LYS 11 1HD LYS 11 -8.820 -7.368 2.962 53 HD3 LYS 11 2HD LYS 11 -8.903 -9.081 2.546 54 HE2 LYS 11 1HE LYS 11 -10.234 -8.652 4.518 55 HE3 LYS 11 2HE LYS 11 -8.837 -9.640 4.944 56 HZ1 LYS 11 3HZ LYS 11 -7.725 -7.597 5.705 57 HZ2 LYS 11 1HZ LYS 11 -9.136 -7.931 6.578 58 HZ3 LYS 11 2HZ LYS 11 -9.139 -6.721 5.396 59 HA PRO 12 HA PRO 12 -6.688 -8.405 -3.134 60 HB2 PRO 12 1HB PRO 12 -8.462 -6.376 -3.461 61 HB3 PRO 12 2HB PRO 12 -8.947 -8.074 -3.389 62 HG2 PRO 12 1HG PRO 12 -9.017 -5.991 -1.240 63 HG3 PRO 12 2HG PRO 12 -10.236 -7.210 -1.657 64 HD2 PRO 12 1HD PRO 12 -8.524 -7.512 0.419 65 HD3 PRO 12 2HD PRO 12 -9.127 -8.887 -0.528 66 H TYR 13 H TYR 13 -5.994 -6.441 -0.500 67 HA TYR 13 HA TYR 13 -4.528 -4.555 -2.223 68 HB2 TYR 13 1HB TYR 13 -6.246 -4.015 0.167 69 HB3 TYR 13 2HB TYR 13 -4.861 -2.975 -0.146 70 HD1 TYR 13 HD1 TYR 13 -4.776 -1.609 -2.201 71 HD2 TYR 13 HD2 TYR 13 -8.211 -3.911 -1.200 72 HE1 TYR 13 HE1 TYR 13 -6.106 -0.314 -3.815 73 HE2 TYR 13 HE2 TYR 13 -9.550 -2.624 -2.812 74 HH TYR 13 HH TYR 13 -9.568 -0.968 -4.284 75 H LYS 14 H LYS 14 -2.459 -5.120 -2.048 76 HA LYS 14 HA LYS 14 -1.326 -5.397 0.647 77 HB2 LYS 14 1HB LYS 14 -1.635 -7.652 -0.340 78 HB3 LYS 14 2HB LYS 14 -0.626 -7.173 -1.699 79 HG2 LYS 14 1HG LYS 14 1.301 -7.031 -0.350 80 HG3 LYS 14 2HG LYS 14 0.355 -7.104 1.139 81 HD2 LYS 14 1HD LYS 14 -0.409 -9.418 0.203 82 HD3 LYS 14 2HD LYS 14 1.050 -9.288 -0.782 83 HE2 LYS 14 1HE LYS 14 2.401 -9.029 1.224 84 HE3 LYS 14 2HE LYS 14 0.952 -9.083 2.227 85 HZ1 LYS 14 3HZ LYS 14 2.455 -11.235 1.092 86 HZ2 LYS 14 1HZ LYS 14 0.807 -11.354 0.727 87 HZ3 LYS 14 2HZ LYS 14 1.312 -11.260 2.339 88 H CYS 15 H CYS 15 0.560 -4.347 0.960 89 HA CYS 15 HA CYS 15 1.418 -2.405 -0.878 90 HB2 CYS 15 1HB CYS 15 1.749 -2.424 1.648 91 HB3 CYS 15 2HB CYS 15 3.101 -3.515 1.366 92 H ASN 16 H ASN 16 2.561 -2.624 -2.673 93 HA ASN 16 HA ASN 16 3.954 -5.092 -3.239 94 HB2 ASN 16 1HB ASN 16 3.568 -2.577 -4.874 95 HB3 ASN 16 2HB ASN 16 4.382 -4.025 -5.459 96 HD21 ASN 16 1HD2 ASN 16 3.135 -6.000 -5.545 97 HD22 ASN 16 2HD2 ASN 16 1.434 -5.915 -5.837 98 H GLU 17 H GLU 17 4.901 -3.059 -1.186 99 HA GLU 17 HA GLU 17 7.598 -2.612 -2.285 100 HB2 GLU 17 1HB GLU 17 6.630 -0.515 -1.688 101 HB3 GLU 17 2HB GLU 17 6.063 -1.142 -0.146 102 HG2 GLU 17 1HG GLU 17 7.886 0.071 0.509 103 HG3 GLU 17 2HG GLU 17 8.596 -1.530 0.312 104 H CYS 18 H CYS 18 6.007 -3.204 0.855 105 HA CYS 18 HA CYS 18 8.345 -4.812 1.635 106 HB2 CYS 18 1HB CYS 18 7.544 -4.436 3.977 107 HB3 CYS 18 2HB CYS 18 8.017 -2.963 3.137 108 H GLY 19 H GLY 19 4.796 -4.702 1.889 109 HA2 GLY 19 1HA GLY 19 3.704 -6.831 1.130 110 HA3 GLY 19 2HA GLY 19 4.837 -7.641 2.201 111 H LYS 20 H LYS 20 2.441 -5.004 2.339 112 HA LYS 20 HA LYS 20 1.313 -6.263 4.736 113 HB2 LYS 20 1HB LYS 20 2.940 -4.308 5.227 114 HB3 LYS 20 2HB LYS 20 1.657 -3.280 4.603 115 HG2 LYS 20 1HG LYS 20 0.194 -3.858 6.338 116 HG3 LYS 20 2HG LYS 20 1.166 -5.255 6.805 117 HD2 LYS 20 1HD LYS 20 3.007 -3.426 7.225 118 HD3 LYS 20 2HD LYS 20 1.609 -2.357 7.354 119 HE2 LYS 20 1HE LYS 20 1.800 -3.010 9.534 120 HE3 LYS 20 2HE LYS 20 0.729 -4.277 8.938 121 HZ1 LYS 20 3HZ LYS 20 3.251 -5.214 8.445 122 HZ2 LYS 20 1HZ LYS 20 2.230 -5.701 9.703 123 HZ3 LYS 20 2HZ LYS 20 3.379 -4.490 9.969 124 H VAL 21 H VAL 21 -0.821 -6.468 4.592 125 HA VAL 21 HA VAL 21 -2.232 -5.041 2.468 126 HB VAL 21 HB VAL 21 -4.069 -6.616 2.874 127 HG11 VAL 21 1HG1 VAL 21 -1.777 -7.120 1.578 128 HG12 VAL 21 2HG1 VAL 21 -1.746 -8.438 2.751 129 HG13 VAL 21 3HG1 VAL 21 -3.115 -8.265 1.652 130 HG21 VAL 21 3HG2 VAL 21 -4.168 -7.276 5.042 131 HG22 VAL 21 1HG2 VAL 21 -3.221 -8.627 4.421 132 HG23 VAL 21 2HG2 VAL 21 -2.415 -7.286 5.234 133 H PHE 22 H PHE 22 -4.367 -4.137 2.887 134 HA PHE 22 HA PHE 22 -4.798 -3.287 5.663 135 HB2 PHE 22 1HB PHE 22 -4.895 -1.430 3.276 136 HB3 PHE 22 2HB PHE 22 -5.239 -0.992 4.947 137 HD1 PHE 22 HD2 PHE 22 -2.520 -2.497 2.886 138 HD2 PHE 22 HD1 PHE 22 -3.568 -0.033 6.196 139 HE1 PHE 22 HE2 PHE 22 -0.146 -1.952 3.228 140 HE2 PHE 22 HE1 PHE 22 -1.195 0.516 6.542 141 HZ PHE 22 HZ PHE 22 0.520 -0.444 5.058 142 H THR 23 H THR 23 -6.972 -2.546 6.102 143 HA THR 23 HA THR 23 -8.935 -4.185 4.864 144 HB THR 23 HB THR 23 -9.165 -3.626 7.205 145 HG1 THR 23 HG1 THR 23 -11.345 -3.019 7.149 146 HG21 THR 23 3HG2 THR 23 -8.268 -1.145 6.547 147 HG22 THR 23 1HG2 THR 23 -9.038 -1.551 8.080 148 HG23 THR 23 2HG2 THR 23 -9.988 -0.836 6.778 149 H GLN 24 H GLN 24 -8.092 -0.773 4.621 150 HA GLN 24 HA GLN 24 -9.922 -0.563 2.327 151 HB2 GLN 24 1HB GLN 24 -10.537 0.667 4.582 152 HB3 GLN 24 2HB GLN 24 -9.361 1.842 4.007 153 HG2 GLN 24 1HG GLN 24 -11.328 2.693 3.186 154 HG3 GLN 24 2HG GLN 24 -10.733 1.764 1.811 155 HE21 GLN 24 1HE2 GLN 24 -13.184 2.156 1.464 156 HE22 GLN 24 2HE2 GLN 24 -14.207 0.856 1.961 157 H ASN 25 H ASN 25 -9.296 0.982 0.704 158 HA ASN 25 HA ASN 25 -6.570 0.867 0.045 159 HB2 ASN 25 1HB ASN 25 -7.120 2.082 -1.888 160 HB3 ASN 25 2HB ASN 25 -8.606 1.222 -1.496 161 HD21 ASN 25 1HD2 ASN 25 -6.984 4.311 -1.448 162 HD22 ASN 25 2HD2 ASN 25 -8.407 5.275 -1.279 163 H SER 26 H SER 26 -8.542 3.539 1.306 164 HA SER 26 HA SER 26 -6.666 5.561 1.288 165 HB2 SER 26 1HB SER 26 -9.163 5.581 2.019 166 HB3 SER 26 2HB SER 26 -8.527 5.231 3.626 167 HG SER 26 HG SER 26 -7.134 7.132 3.240 168 H HIS 27 H HIS 27 -6.954 2.841 3.460 169 HA HIS 27 HA HIS 27 -5.122 3.837 5.419 170 HB2 HIS 27 1HB HIS 27 -6.481 1.229 4.895 171 HB3 HIS 27 2HB HIS 27 -5.085 1.247 5.969 172 HD1 HIS 27 HD1 HIS 27 -6.329 0.812 8.127 173 HD2 HIS 27 HD2 HIS 27 -7.811 4.077 6.029 174 HE1 HIS 27 HE1 HIS 27 -7.938 1.944 9.694 175 H LEU 28 H LEU 28 -4.884 1.693 2.624 176 HA LEU 28 HA LEU 28 -2.166 0.968 3.075 177 HB2 LEU 28 1HB LEU 28 -3.451 -0.508 1.766 178 HB3 LEU 28 2HB LEU 28 -4.001 0.787 0.705 179 HG LEU 28 HG LEU 28 -1.552 0.967 -0.032 180 HD11 LEU 28 1HD1 LEU 28 -0.235 -1.070 0.209 181 HD12 LEU 28 2HD1 LEU 28 -1.491 -1.772 1.228 182 HD13 LEU 28 3HD1 LEU 28 -0.595 -0.357 1.782 183 HD21 LEU 28 3HD2 LEU 28 -1.958 -0.462 -1.802 184 HD22 LEU 28 1HD2 LEU 28 -3.587 -0.144 -1.205 185 HD23 LEU 28 2HD2 LEU 28 -2.776 -1.654 -0.790 186 H VAL 29 H VAL 29 -3.695 3.154 0.706 187 HA VAL 29 HA VAL 29 -1.515 4.151 -0.581 188 HB VAL 29 HB VAL 29 -3.994 4.793 -0.854 189 HG11 VAL 29 1HG1 VAL 29 -3.993 5.735 1.551 190 HG12 VAL 29 2HG1 VAL 29 -3.256 7.163 0.822 191 HG13 VAL 29 3HG1 VAL 29 -4.849 6.624 0.292 192 HG21 VAL 29 3HG2 VAL 29 -1.589 6.005 -1.666 193 HG22 VAL 29 1HG2 VAL 29 -3.166 6.096 -2.451 194 HG23 VAL 29 2HG2 VAL 29 -2.699 7.316 -1.266 195 H ARG 30 H ARG 30 -2.619 4.979 2.655 196 HA ARG 30 HA ARG 30 -0.883 7.179 3.056 197 HB2 ARG 30 1HB ARG 30 -2.981 6.299 4.415 198 HB3 ARG 30 2HB ARG 30 -1.740 5.475 5.349 199 HG2 ARG 30 1HG ARG 30 -1.921 7.414 6.532 200 HG3 ARG 30 2HG ARG 30 -0.648 7.864 5.396 201 HD2 ARG 30 1HD ARG 30 -3.505 8.346 4.678 202 HD3 ARG 30 2HD ARG 30 -2.692 9.445 5.791 203 HE ARG 30 HE ARG 30 -2.199 9.150 2.955 204 HH11 ARG 30 1HH1 ARG 30 -1.043 10.364 6.006 205 HH12 ARG 30 2HH1 ARG 30 0.018 11.531 5.288 206 HH21 ARG 30 1HH2 ARG 30 -0.807 10.682 1.998 207 HH22 ARG 30 2HH2 ARG 30 0.150 11.712 3.008 208 H HIS 31 H HIS 31 -0.677 3.811 4.213 209 HA HIS 31 HA HIS 31 1.750 3.890 5.480 210 HB2 HIS 31 1HB HIS 31 0.570 1.866 5.629 211 HB3 HIS 31 2HB HIS 31 0.413 1.723 3.881 212 HD1 HIS 31 HD1 HIS 31 2.999 1.374 6.615 213 HD2 HIS 31 HD2 HIS 31 2.397 0.287 2.650 214 HE1 HIS 31 HE1 HIS 31 4.882 -0.197 6.055 215 H ARG 32 H ARG 32 1.258 3.062 2.044 216 HA ARG 32 HA ARG 32 3.707 2.624 1.104 217 HB2 ARG 32 1HB ARG 32 1.797 4.603 -0.152 218 HB3 ARG 32 2HB ARG 32 3.106 3.773 -0.982 219 HG2 ARG 32 1HG ARG 32 1.069 2.121 0.407 220 HG3 ARG 32 2HG ARG 32 0.615 2.918 -1.100 221 HD2 ARG 32 1HD ARG 32 2.510 1.873 -2.230 222 HD3 ARG 32 2HD ARG 32 2.988 1.095 -0.722 223 HE ARG 32 HE ARG 32 0.496 0.190 -1.014 224 HH11 ARG 32 1HH1 ARG 32 3.130 0.415 -3.280 225 HH12 ARG 32 2HH1 ARG 32 2.627 -0.964 -4.201 226 HH21 ARG 32 1HH2 ARG 32 -0.176 -1.627 -2.219 227 HH22 ARG 32 2HH2 ARG 32 0.746 -2.124 -3.597 228 H GLY 33 H GLY 33 2.534 5.789 2.132 229 HA2 GLY 33 1HA GLY 33 4.677 7.353 1.241 230 HA3 GLY 33 2HA GLY 33 3.644 7.739 2.609 231 H ILE 34 H ILE 34 4.212 5.780 4.400 232 HA ILE 34 HA ILE 34 6.351 6.628 5.809 233 HB ILE 34 HB ILE 34 6.352 4.607 7.036 234 HG12 ILE 34 1HG1 ILE 34 4.927 2.650 5.873 235 HG13 ILE 34 2HG1 ILE 34 5.578 3.414 4.427 236 HG21 ILE 34 1HG2 ILE 34 3.571 4.298 6.186 237 HG22 ILE 34 2HG2 ILE 34 4.236 4.740 7.757 238 HG23 ILE 34 3HG2 ILE 34 4.045 5.966 6.504 239 HD11 ILE 34 3HD1 ILE 34 6.821 1.541 6.082 240 HD12 ILE 34 1HD1 ILE 34 7.530 2.428 4.733 241 HD13 ILE 34 2HD1 ILE 34 7.652 3.069 6.372 242 H HIS 35 H HIS 35 6.433 4.496 3.039 243 HA HIS 35 HA HIS 35 9.126 3.641 3.346 244 HB2 HIS 35 1HB HIS 35 7.249 3.693 0.985 245 HB3 HIS 35 2HB HIS 35 8.892 3.068 0.874 246 HD1 HIS 35 HD1 HIS 35 9.378 1.087 2.769 247 HD2 HIS 35 HD2 HIS 35 5.445 1.790 1.628 248 HE1 HIS 35 HE1 HIS 35 8.109 -0.985 3.418 249 H THR 36 H THR 36 7.658 5.993 1.101 250 HA THR 36 HA THR 36 10.219 7.022 0.311 251 HB THR 36 HB THR 36 8.377 7.035 -1.284 252 HG1 THR 36 HG1 THR 36 8.438 9.503 -1.598 253 HG21 THR 36 3HG2 THR 36 6.806 9.214 -0.479 254 HG22 THR 36 1HG2 THR 36 6.937 8.170 0.936 255 HG23 THR 36 2HG2 THR 36 6.317 7.523 -0.584 256 H GLY 37 H GLY 37 11.034 7.601 2.431 257 HA2 GLY 37 1HA GLY 37 11.204 10.227 3.006 258 HA3 GLY 37 2HA GLY 37 9.736 9.765 3.854 259 H GLU 38 H GLU 38 10.415 7.238 4.755 260 HA GLU 38 HA GLU 38 12.766 7.737 6.455 261 HB2 GLU 38 1HB GLU 38 9.977 7.048 7.228 262 HB3 GLU 38 2HB GLU 38 11.277 6.293 8.139 263 HG2 GLU 38 1HG GLU 38 12.182 8.733 8.317 264 HG3 GLU 38 2HG GLU 38 10.511 9.164 7.958 265 H LYS 39 H LYS 39 13.544 5.698 7.536 266 HA LYS 39 HA LYS 39 13.919 3.683 5.531 267 HB2 LYS 39 1HB LYS 39 14.861 3.931 8.387 268 HB3 LYS 39 2HB LYS 39 15.269 2.563 7.360 269 HG2 LYS 39 1HG LYS 39 16.447 3.988 5.831 270 HG3 LYS 39 2HG LYS 39 15.917 5.428 6.703 271 HD2 LYS 39 1HD LYS 39 17.234 4.860 8.603 272 HD3 LYS 39 2HD LYS 39 17.576 3.251 7.962 273 HE2 LYS 39 1HE LYS 39 19.525 4.332 7.433 274 HE3 LYS 39 2HE LYS 39 18.594 4.619 5.963 275 HZ1 LYS 39 3HZ LYS 39 19.467 6.492 7.995 276 HZ2 LYS 39 1HZ LYS 39 17.884 6.722 7.443 277 HZ3 LYS 39 2HZ LYS 39 19.173 6.739 6.348 278 HA PRO 40 HA PRO 40 10.659 0.944 6.648 279 HB2 PRO 40 1HB PRO 40 11.696 -1.373 5.684 280 HB3 PRO 40 2HB PRO 40 11.052 -0.101 4.639 281 HG2 PRO 40 1HG PRO 40 13.894 -0.704 5.359 282 HG3 PRO 40 2HG PRO 40 13.205 -0.280 3.781 283 HD2 PRO 40 1HD PRO 40 14.499 1.520 5.336 284 HD3 PRO 40 2HD PRO 40 13.157 1.973 4.266 285 H SER 41 H SER 41 10.856 1.050 8.932 286 HA SER 41 HA SER 41 12.788 -0.511 10.348 287 HB2 SER 41 1HB SER 41 11.521 0.127 12.354 288 HB3 SER 41 2HB SER 41 11.805 1.528 11.320 289 HG SER 41 HG SER 41 9.512 0.728 12.230 290 H GLY 42 H GLY 42 12.726 -2.607 10.814 291 HA2 GLY 42 1HA GLY 42 10.647 -4.109 11.752 292 HA3 GLY 42 2HA GLY 42 10.481 -4.209 10.005 293 HA PRO 43 HA PRO 43 13.908 -7.055 11.858 294 HB2 PRO 43 1HB PRO 43 12.479 -9.256 12.553 295 HB3 PRO 43 2HB PRO 43 12.842 -7.949 13.686 296 HG2 PRO 43 1HG PRO 43 10.335 -8.469 12.134 297 HG3 PRO 43 2HG PRO 43 10.521 -7.974 13.827 298 HD2 PRO 43 1HD PRO 43 9.895 -6.224 11.858 299 HD3 PRO 43 2HD PRO 43 10.860 -5.762 13.275 300 H SER 44 H SER 44 14.918 -8.222 10.343 301 HA SER 44 HA SER 44 14.045 -8.625 7.795 302 HB2 SER 44 1HB SER 44 15.857 -10.176 7.496 303 HB3 SER 44 2HB SER 44 16.391 -8.956 8.651 304 HG SER 44 HG SER 44 15.273 -11.437 9.435 305 H SER 45 H SER 45 13.105 -10.288 6.619 306 HA SER 45 HA SER 45 11.570 -12.214 8.231 307 HB2 SER 45 1HB SER 45 10.396 -10.451 6.739 308 HB3 SER 45 2HB SER 45 10.905 -11.469 5.392 309 HG SER 45 HG SER 45 8.929 -11.871 7.249 310 H GLY 46 H GLY 46 11.027 -14.279 7.032 311 HA2 GLY 46 1HA GLY 46 13.367 -15.163 5.457 312 HA3 GLY 46 2HA GLY 46 12.648 -16.159 6.714 Start of MODEL 11 1 H1 GLY 1 H GLY 1 16.126 -19.234 20.748 2 HA2 GLY 1 1HA GLY 1 14.350 -21.000 20.569 3 HA3 GLY 1 2HA GLY 1 13.306 -19.846 21.387 4 H SER 2 H SER 2 11.798 -19.549 19.815 5 HA SER 2 HA SER 2 12.449 -17.783 17.679 6 HB2 SER 2 1HB SER 2 11.775 -19.272 15.814 7 HB3 SER 2 2HB SER 2 13.242 -19.831 16.616 8 HG SER 2 HG SER 2 10.621 -20.868 16.809 9 H SER 3 H SER 3 10.476 -17.424 16.241 10 HA SER 3 HA SER 3 7.942 -18.132 17.475 11 HB2 SER 3 1HB SER 3 8.530 -16.141 18.733 12 HB3 SER 3 2HB SER 3 8.881 -15.263 17.245 13 HG SER 3 HG SER 3 6.822 -14.911 16.975 14 H GLY 4 H GLY 4 6.299 -18.231 16.029 15 HA2 GLY 4 1HA GLY 4 6.211 -16.739 13.611 16 HA3 GLY 4 2HA GLY 4 6.794 -18.368 13.306 17 H SER 5 H SER 5 4.241 -16.836 12.655 18 HA SER 5 HA SER 5 2.469 -19.071 13.074 19 HB2 SER 5 1HB SER 5 1.764 -16.376 14.262 20 HB3 SER 5 2HB SER 5 0.702 -17.782 14.195 21 HG SER 5 HG SER 5 2.778 -17.221 15.905 22 H SER 6 H SER 6 1.582 -19.351 11.149 23 HA SER 6 HA SER 6 1.259 -17.075 9.352 24 HB2 SER 6 1HB SER 6 1.035 -20.059 8.913 25 HB3 SER 6 2HB SER 6 0.712 -18.861 7.660 26 HG SER 6 HG SER 6 2.889 -19.705 7.668 27 H GLY 7 H GLY 7 -0.544 -15.990 10.055 28 HA2 GLY 7 1HA GLY 7 -3.085 -17.290 9.481 29 HA3 GLY 7 2HA GLY 7 -2.863 -16.740 11.135 30 H THR 8 H THR 8 -3.202 -15.747 7.796 31 HA THR 8 HA THR 8 -4.034 -13.093 8.740 32 HB THR 8 HB THR 8 -2.958 -12.061 6.743 33 HG1 THR 8 HG1 THR 8 -2.320 -14.707 6.284 34 HG21 THR 8 3HG2 THR 8 -1.564 -13.201 9.056 35 HG22 THR 8 1HG2 THR 8 -1.547 -11.556 8.421 36 HG23 THR 8 2HG2 THR 8 -0.505 -12.787 7.708 37 H GLY 9 H GLY 9 -5.075 -11.861 6.793 38 HA2 GLY 9 1HA GLY 9 -6.827 -13.779 5.383 39 HA3 GLY 9 2HA GLY 9 -7.396 -12.245 6.024 40 H GLU 10 H GLU 10 -5.510 -13.790 3.513 41 HA GLU 10 HA GLU 10 -4.368 -11.830 2.092 42 HB2 GLU 10 1HB GLU 10 -4.769 -13.065 0.080 43 HB3 GLU 10 2HB GLU 10 -4.582 -14.224 1.389 44 HG2 GLU 10 1HG GLU 10 -7.103 -14.274 1.531 45 HG3 GLU 10 2HG GLU 10 -7.111 -13.380 0.012 46 H LYS 11 H LYS 11 -4.923 -9.920 1.295 47 HA LYS 11 HA LYS 11 -7.756 -9.431 0.647 48 HB2 LYS 11 1HB LYS 11 -5.789 -7.678 2.101 49 HB3 LYS 11 2HB LYS 11 -7.200 -7.002 1.298 50 HG2 LYS 11 1HG LYS 11 -8.437 -8.866 2.717 51 HG3 LYS 11 2HG LYS 11 -7.017 -8.661 3.746 52 HD2 LYS 11 1HD LYS 11 -7.531 -6.461 4.238 53 HD3 LYS 11 2HD LYS 11 -8.507 -6.256 2.781 54 HE2 LYS 11 1HE LYS 11 -9.349 -8.151 4.944 55 HE3 LYS 11 2HE LYS 11 -9.691 -6.427 5.073 56 HZ1 LYS 11 3HZ LYS 11 -11.276 -6.547 3.517 57 HZ2 LYS 11 1HZ LYS 11 -11.278 -8.207 3.844 58 HZ3 LYS 11 2HZ LYS 11 -10.397 -7.605 2.532 59 HA PRO 12 HA PRO 12 -6.488 -8.048 -3.321 60 HB2 PRO 12 1HB PRO 12 -8.269 -6.057 -3.804 61 HB3 PRO 12 2HB PRO 12 -8.715 -7.767 -3.814 62 HG2 PRO 12 1HG PRO 12 -9.071 -5.729 -1.651 63 HG3 PRO 12 2HG PRO 12 -10.205 -6.969 -2.217 64 HD2 PRO 12 1HD PRO 12 -8.720 -7.269 0.027 65 HD3 PRO 12 2HD PRO 12 -9.181 -8.639 -1.004 66 H TYR 13 H TYR 13 -5.905 -6.282 -0.610 67 HA TYR 13 HA TYR 13 -4.521 -4.179 -2.139 68 HB2 TYR 13 1HB TYR 13 -5.800 -3.872 0.585 69 HB3 TYR 13 2HB TYR 13 -4.924 -2.622 -0.291 70 HD1 TYR 13 HD1 TYR 13 -5.970 -2.864 -3.002 71 HD2 TYR 13 HD2 TYR 13 -8.004 -3.160 0.723 72 HE1 TYR 13 HE1 TYR 13 -8.059 -2.161 -4.094 73 HE2 TYR 13 HE2 TYR 13 -10.099 -2.459 -0.359 74 HH TYR 13 HH TYR 13 -10.247 -1.019 -3.318 75 H LYS 14 H LYS 14 -2.422 -4.623 -2.056 76 HA LYS 14 HA LYS 14 -1.232 -5.250 0.556 77 HB2 LYS 14 1HB LYS 14 -1.420 -7.334 -0.762 78 HB3 LYS 14 2HB LYS 14 -0.491 -6.586 -2.054 79 HG2 LYS 14 1HG LYS 14 1.175 -7.722 -1.019 80 HG3 LYS 14 2HG LYS 14 1.249 -6.221 -0.092 81 HD2 LYS 14 1HD LYS 14 0.256 -7.165 1.765 82 HD3 LYS 14 2HD LYS 14 -0.545 -8.426 0.825 83 HE2 LYS 14 1HE LYS 14 2.438 -8.285 1.208 84 HE3 LYS 14 2HE LYS 14 1.367 -9.192 2.275 85 HZ1 LYS 14 3HZ LYS 14 1.778 -9.643 -0.630 86 HZ2 LYS 14 1HZ LYS 14 0.615 -10.443 0.302 87 HZ3 LYS 14 2HZ LYS 14 2.259 -10.660 0.633 88 H CYS 15 H CYS 15 0.902 -4.523 0.858 89 HA CYS 15 HA CYS 15 1.557 -2.178 -0.698 90 HB2 CYS 15 1HB CYS 15 1.774 -2.114 1.737 91 HB3 CYS 15 2HB CYS 15 2.943 -3.430 1.683 92 H ASN 16 H ASN 16 2.855 -2.163 -2.400 93 HA ASN 16 HA ASN 16 4.416 -4.516 -3.055 94 HB2 ASN 16 1HB ASN 16 2.994 -2.942 -4.644 95 HB3 ASN 16 2HB ASN 16 4.502 -2.034 -4.715 96 HD21 ASN 16 1HD2 ASN 16 6.465 -3.394 -5.183 97 HD22 ASN 16 2HD2 ASN 16 6.292 -4.616 -6.393 98 H GLU 17 H GLU 17 5.259 -2.991 -0.760 99 HA GLU 17 HA GLU 17 7.944 -2.224 -1.687 100 HB2 GLU 17 1HB GLU 17 6.424 -0.869 0.546 101 HB3 GLU 17 2HB GLU 17 8.028 -0.446 -0.035 102 HG2 GLU 17 1HG GLU 17 5.438 -0.185 -1.541 103 HG3 GLU 17 2HG GLU 17 6.423 1.122 -0.886 104 H CYS 18 H CYS 18 5.966 -3.300 1.050 105 HA CYS 18 HA CYS 18 8.333 -4.715 2.091 106 HB2 CYS 18 1HB CYS 18 7.281 -4.450 4.363 107 HB3 CYS 18 2HB CYS 18 7.850 -2.952 3.634 108 H GLY 19 H GLY 19 4.775 -4.698 2.013 109 HA2 GLY 19 1HA GLY 19 3.740 -6.768 1.129 110 HA3 GLY 19 2HA GLY 19 4.876 -7.650 2.139 111 H LYS 20 H LYS 20 2.224 -5.295 2.312 112 HA LYS 20 HA LYS 20 1.186 -6.716 4.641 113 HB2 LYS 20 1HB LYS 20 2.141 -3.890 4.619 114 HB3 LYS 20 2HB LYS 20 0.707 -4.274 5.561 115 HG2 LYS 20 1HG LYS 20 1.867 -5.610 7.036 116 HG3 LYS 20 2HG LYS 20 3.173 -5.921 5.890 117 HD2 LYS 20 1HD LYS 20 3.782 -3.484 6.097 118 HD3 LYS 20 2HD LYS 20 2.633 -3.391 7.434 119 HE2 LYS 20 1HE LYS 20 3.883 -5.110 8.634 120 HE3 LYS 20 2HE LYS 20 5.016 -5.237 7.290 121 HZ1 LYS 20 3HZ LYS 20 5.839 -3.849 9.130 122 HZ2 LYS 20 1HZ LYS 20 4.563 -2.768 8.875 123 HZ3 LYS 20 2HZ LYS 20 5.730 -2.995 7.673 124 H VAL 21 H VAL 21 -1.039 -6.508 4.938 125 HA VAL 21 HA VAL 21 -2.460 -5.282 2.668 126 HB VAL 21 HB VAL 21 -4.292 -6.854 3.136 127 HG11 VAL 21 1HG1 VAL 21 -2.711 -9.000 2.758 128 HG12 VAL 21 2HG1 VAL 21 -3.085 -7.827 1.494 129 HG13 VAL 21 3HG1 VAL 21 -1.570 -7.707 2.389 130 HG21 VAL 21 3HG2 VAL 21 -4.323 -7.492 5.315 131 HG22 VAL 21 1HG2 VAL 21 -3.407 -8.854 4.669 132 HG23 VAL 21 2HG2 VAL 21 -2.564 -7.515 5.449 133 H PHE 22 H PHE 22 -4.527 -4.297 3.084 134 HA PHE 22 HA PHE 22 -5.038 -3.527 5.861 135 HB2 PHE 22 1HB PHE 22 -4.880 -1.520 3.603 136 HB3 PHE 22 2HB PHE 22 -5.237 -1.173 5.292 137 HD1 PHE 22 HD2 PHE 22 -2.595 -2.482 3.043 138 HD2 PHE 22 HD1 PHE 22 -3.524 -0.705 6.797 139 HE1 PHE 22 HE2 PHE 22 -0.196 -2.156 3.478 140 HE2 PHE 22 HE1 PHE 22 -1.126 -0.375 7.239 141 HZ PHE 22 HZ PHE 22 0.542 -1.102 5.579 142 H THR 23 H THR 23 -7.170 -3.142 6.343 143 HA THR 23 HA THR 23 -9.110 -4.289 4.614 144 HB THR 23 HB THR 23 -9.443 -4.468 6.988 145 HG1 THR 23 HG1 THR 23 -11.451 -4.415 6.269 146 HG21 THR 23 3HG2 THR 23 -8.566 -1.795 7.038 147 HG22 THR 23 1HG2 THR 23 -9.002 -2.811 8.412 148 HG23 THR 23 2HG2 THR 23 -10.219 -1.785 7.653 149 H GLN 24 H GLN 24 -8.000 -1.044 5.180 150 HA GLN 24 HA GLN 24 -10.106 -0.025 3.389 151 HB2 GLN 24 1HB GLN 24 -10.133 0.942 5.670 152 HB3 GLN 24 2HB GLN 24 -8.488 1.515 5.426 153 HG2 GLN 24 1HG GLN 24 -9.127 3.165 3.973 154 HG3 GLN 24 2HG GLN 24 -10.590 2.314 3.479 155 HE21 GLN 24 1HE2 GLN 24 -12.349 2.218 5.022 156 HE22 GLN 24 2HE2 GLN 24 -12.568 3.520 6.137 157 H ASN 25 H ASN 25 -9.484 0.602 1.436 158 HA ASN 25 HA ASN 25 -6.937 0.367 0.418 159 HB2 ASN 25 1HB ASN 25 -8.866 0.538 -1.037 160 HB3 ASN 25 2HB ASN 25 -9.174 2.186 -0.498 161 HD21 ASN 25 1HD2 ASN 25 -6.634 0.207 -1.976 162 HD22 ASN 25 2HD2 ASN 25 -6.061 1.436 -3.047 163 H SER 26 H SER 26 -8.527 3.334 1.570 164 HA SER 26 HA SER 26 -6.562 5.179 1.039 165 HB2 SER 26 1HB SER 26 -8.643 4.951 3.170 166 HB3 SER 26 2HB SER 26 -7.423 6.215 3.323 167 HG SER 26 HG SER 26 -9.178 5.801 1.130 168 H HIS 27 H HIS 27 -6.877 3.201 3.982 169 HA HIS 27 HA HIS 27 -4.709 4.110 5.405 170 HB2 HIS 27 1HB HIS 27 -6.102 1.479 5.231 171 HB3 HIS 27 2HB HIS 27 -4.577 1.550 6.108 172 HD1 HIS 27 HD1 HIS 27 -4.934 1.882 8.520 173 HD2 HIS 27 HD2 HIS 27 -7.863 3.778 6.264 174 HE1 HIS 27 HE1 HIS 27 -6.472 2.965 10.189 175 H LEU 28 H LEU 28 -4.716 1.458 3.027 176 HA LEU 28 HA LEU 28 -1.963 0.923 3.145 177 HB2 LEU 28 1HB LEU 28 -3.250 -0.734 2.150 178 HB3 LEU 28 2HB LEU 28 -4.104 0.413 1.120 179 HG LEU 28 HG LEU 28 -2.040 0.683 -0.221 180 HD11 LEU 28 1HD1 LEU 28 -1.006 -1.557 1.510 181 HD12 LEU 28 2HD1 LEU 28 -0.409 0.102 1.490 182 HD13 LEU 28 3HD1 LEU 28 -0.219 -0.921 0.066 183 HD21 LEU 28 3HD2 LEU 28 -2.863 -2.205 0.003 184 HD22 LEU 28 1HD2 LEU 28 -2.261 -1.360 -1.423 185 HD23 LEU 28 2HD2 LEU 28 -3.850 -0.962 -0.768 186 H VAL 29 H VAL 29 -3.712 2.594 0.519 187 HA VAL 29 HA VAL 29 -1.700 3.523 -1.001 188 HB VAL 29 HB VAL 29 -4.075 5.172 -0.125 189 HG11 VAL 29 1HG1 VAL 29 -1.881 6.063 -1.504 190 HG12 VAL 29 2HG1 VAL 29 -2.991 5.613 -2.800 191 HG13 VAL 29 3HG1 VAL 29 -3.492 6.776 -1.571 192 HG21 VAL 29 3HG2 VAL 29 -4.912 3.191 -1.074 193 HG22 VAL 29 1HG2 VAL 29 -4.949 4.373 -2.382 194 HG23 VAL 29 2HG2 VAL 29 -3.667 3.163 -2.323 195 H ARG 30 H ARG 30 -2.637 4.819 2.138 196 HA ARG 30 HA ARG 30 -0.727 6.978 2.009 197 HB2 ARG 30 1HB ARG 30 -2.951 7.024 3.257 198 HB3 ARG 30 2HB ARG 30 -2.179 6.005 4.465 199 HG2 ARG 30 1HG ARG 30 -0.868 8.559 3.669 200 HG3 ARG 30 2HG ARG 30 -2.257 8.597 4.757 201 HD2 ARG 30 1HD ARG 30 -1.119 7.096 6.293 202 HD3 ARG 30 2HD ARG 30 0.251 6.979 5.190 203 HE ARG 30 HE ARG 30 -0.401 9.655 6.075 204 HH11 ARG 30 1HH1 ARG 30 1.495 6.785 6.613 205 HH12 ARG 30 2HH1 ARG 30 2.713 7.605 7.534 206 HH21 ARG 30 1HH2 ARG 30 1.195 10.745 7.286 207 HH22 ARG 30 2HH2 ARG 30 2.540 9.857 7.917 208 H HIS 31 H HIS 31 -0.975 3.823 3.567 209 HA HIS 31 HA HIS 31 1.151 3.898 5.308 210 HB2 HIS 31 1HB HIS 31 -0.010 1.917 5.454 211 HB3 HIS 31 2HB HIS 31 -0.129 1.732 3.707 212 HD1 HIS 31 HD1 HIS 31 2.061 0.944 6.614 213 HD2 HIS 31 HD2 HIS 31 2.064 0.454 2.488 214 HE1 HIS 31 HE1 HIS 31 3.910 -0.692 6.132 215 H ARG 32 H ARG 32 1.335 2.647 1.968 216 HA ARG 32 HA ARG 32 3.967 2.177 1.683 217 HB2 ARG 32 1HB ARG 32 3.712 3.125 -0.700 218 HB3 ARG 32 2HB ARG 32 2.665 1.796 -0.220 219 HG2 ARG 32 1HG ARG 32 0.920 3.529 0.337 220 HG3 ARG 32 2HG ARG 32 1.963 4.706 -0.465 221 HD2 ARG 32 1HD ARG 32 1.080 2.169 -1.812 222 HD3 ARG 32 2HD ARG 32 0.107 3.639 -1.855 223 HE ARG 32 HE ARG 32 2.617 3.161 -3.230 224 HH11 ARG 32 1HH1 ARG 32 0.214 5.470 -2.220 225 HH12 ARG 32 2HH1 ARG 32 0.669 6.655 -3.399 226 HH21 ARG 32 1HH2 ARG 32 3.224 4.714 -4.787 227 HH22 ARG 32 2HH2 ARG 32 2.380 6.223 -4.859 228 H GLY 33 H GLY 33 2.470 5.350 1.859 229 HA2 GLY 33 1HA GLY 33 4.423 7.037 0.971 230 HA3 GLY 33 2HA GLY 33 3.411 7.393 2.363 231 H ILE 34 H ILE 34 4.325 5.454 4.143 232 HA ILE 34 HA ILE 34 6.394 6.669 5.438 233 HB ILE 34 HB ILE 34 6.718 4.683 6.722 234 HG12 ILE 34 1HG1 ILE 34 5.196 3.137 4.619 235 HG13 ILE 34 2HG1 ILE 34 6.953 3.178 4.710 236 HG21 ILE 34 1HG2 ILE 34 4.734 5.188 7.594 237 HG22 ILE 34 2HG2 ILE 34 4.074 5.611 6.015 238 HG23 ILE 34 3HG2 ILE 34 4.048 3.934 6.562 239 HD11 ILE 34 3HD1 ILE 34 6.029 1.168 5.732 240 HD12 ILE 34 1HD1 ILE 34 6.878 2.166 6.913 241 HD13 ILE 34 2HD1 ILE 34 5.115 2.165 6.865 242 H HIS 35 H HIS 35 6.588 4.427 2.764 243 HA HIS 35 HA HIS 35 9.391 3.932 2.981 244 HB2 HIS 35 1HB HIS 35 7.545 3.605 0.606 245 HB3 HIS 35 2HB HIS 35 9.173 2.945 0.737 246 HD1 HIS 35 HD1 HIS 35 9.350 0.656 1.686 247 HD2 HIS 35 HD2 HIS 35 5.721 2.455 2.610 248 HE1 HIS 35 HE1 HIS 35 7.991 -1.123 2.832 249 H THR 36 H THR 36 7.477 5.870 0.677 250 HA THR 36 HA THR 36 9.737 7.085 -0.526 251 HB THR 36 HB THR 36 8.125 8.662 -1.533 252 HG1 THR 36 HG1 THR 36 6.436 9.038 -0.300 253 HG21 THR 36 3HG2 THR 36 7.021 7.092 -2.901 254 HG22 THR 36 1HG2 THR 36 6.941 5.897 -1.608 255 HG23 THR 36 2HG2 THR 36 8.489 6.276 -2.363 256 H GLY 37 H GLY 37 11.094 8.363 0.560 257 HA2 GLY 37 1HA GLY 37 10.636 10.896 1.386 258 HA3 GLY 37 2HA GLY 37 10.199 9.952 2.803 259 H GLU 38 H GLU 38 11.771 9.206 4.125 260 HA GLU 38 HA GLU 38 14.544 9.250 3.203 261 HB2 GLU 38 1HB GLU 38 13.375 11.002 5.306 262 HB3 GLU 38 2HB GLU 38 14.972 10.330 5.605 263 HG2 GLU 38 1HG GLU 38 14.324 11.771 3.060 264 HG3 GLU 38 2HG GLU 38 14.827 12.629 4.515 265 H LYS 39 H LYS 39 15.352 7.323 3.657 266 HA LYS 39 HA LYS 39 15.403 6.231 6.257 267 HB2 LYS 39 1HB LYS 39 14.013 4.258 5.950 268 HB3 LYS 39 2HB LYS 39 13.047 5.714 5.750 269 HG2 LYS 39 1HG LYS 39 12.290 4.537 3.970 270 HG3 LYS 39 2HG LYS 39 13.669 5.330 3.204 271 HD2 LYS 39 1HD LYS 39 14.992 3.391 3.335 272 HD3 LYS 39 2HD LYS 39 13.910 2.631 4.505 273 HE2 LYS 39 1HE LYS 39 12.154 2.784 2.607 274 HE3 LYS 39 2HE LYS 39 13.551 3.003 1.554 275 HZ1 LYS 39 3HZ LYS 39 14.406 0.902 2.189 276 HZ2 LYS 39 1HZ LYS 39 12.776 0.663 1.804 277 HZ3 LYS 39 2HZ LYS 39 13.263 0.719 3.422 278 HA PRO 40 HA PRO 40 18.828 4.213 4.365 279 HB2 PRO 40 1HB PRO 40 19.322 2.333 6.260 280 HB3 PRO 40 2HB PRO 40 19.706 4.044 6.481 281 HG2 PRO 40 1HG PRO 40 17.350 2.487 7.476 282 HG3 PRO 40 2HG PRO 40 18.332 3.695 8.325 283 HD2 PRO 40 1HD PRO 40 15.917 4.277 7.249 284 HD3 PRO 40 2HD PRO 40 17.233 5.465 7.341 285 H SER 41 H SER 41 19.067 2.646 2.884 286 HA SER 41 HA SER 41 16.929 0.746 2.497 287 HB2 SER 41 1HB SER 41 17.859 1.840 0.542 288 HB3 SER 41 2HB SER 41 19.475 1.254 0.939 289 HG SER 41 HG SER 41 18.987 -0.646 0.147 290 H GLY 42 H GLY 42 20.472 0.475 2.857 291 HA2 GLY 42 1HA GLY 42 21.614 -1.074 4.198 292 HA3 GLY 42 2HA GLY 42 20.105 -1.941 4.442 293 HA PRO 43 HA PRO 43 22.858 -3.667 0.871 294 HB2 PRO 43 1HB PRO 43 24.574 -5.284 2.216 295 HB3 PRO 43 2HB PRO 43 24.955 -3.607 1.807 296 HG2 PRO 43 1HG PRO 43 23.975 -4.750 4.395 297 HG3 PRO 43 2HG PRO 43 25.237 -3.536 4.114 298 HD2 PRO 43 1HD PRO 43 22.727 -2.877 4.890 299 HD3 PRO 43 2HD PRO 43 23.710 -1.829 3.848 300 H SER 44 H SER 44 22.749 -5.853 0.116 301 HA SER 44 HA SER 44 21.484 -7.729 -0.248 302 HB2 SER 44 1HB SER 44 21.912 -9.463 1.305 303 HB3 SER 44 2HB SER 44 23.301 -8.384 1.438 304 HG SER 44 HG SER 44 21.376 -9.005 3.287 305 H SER 45 H SER 45 19.846 -5.567 0.298 306 HA SER 45 HA SER 45 17.715 -6.778 1.936 307 HB2 SER 45 1HB SER 45 18.767 -4.540 2.691 308 HB3 SER 45 2HB SER 45 17.889 -3.832 1.336 309 HG SER 45 HG SER 45 16.631 -5.435 3.300 310 H GLY 46 H GLY 46 15.710 -7.005 1.065 311 HA2 GLY 46 1HA GLY 46 15.500 -6.536 -1.814 312 HA3 GLY 46 2HA GLY 46 14.444 -7.556 -0.849 Start of MODEL 12 1 H1 GLY 1 H GLY 1 0.971 -23.035 24.713 2 HA2 GLY 1 1HA GLY 1 3.252 -22.383 25.027 3 HA3 GLY 1 2HA GLY 1 3.286 -23.625 23.785 4 H SER 2 H SER 2 5.288 -22.626 23.101 5 HA SER 2 HA SER 2 5.029 -20.013 21.818 6 HB2 SER 2 1HB SER 2 7.358 -21.753 22.576 7 HB3 SER 2 2HB SER 2 7.561 -20.465 21.389 8 HG SER 2 HG SER 2 7.646 -19.131 22.995 9 H SER 3 H SER 3 3.540 -22.018 20.608 10 HA SER 3 HA SER 3 4.882 -22.178 18.010 11 HB2 SER 3 1HB SER 3 4.979 -24.382 19.412 12 HB3 SER 3 2HB SER 3 3.280 -24.532 18.964 13 HG SER 3 HG SER 3 3.837 -24.679 16.855 14 H GLY 4 H GLY 4 3.568 -21.825 16.286 15 HA2 GLY 4 1HA GLY 4 0.776 -22.227 16.254 16 HA3 GLY 4 2HA GLY 4 1.107 -20.548 16.652 17 H SER 5 H SER 5 -0.250 -21.503 14.321 18 HA SER 5 HA SER 5 1.532 -21.438 12.086 19 HB2 SER 5 1HB SER 5 -0.428 -21.545 10.722 20 HB3 SER 5 2HB SER 5 -0.745 -22.552 12.135 21 HG SER 5 HG SER 5 -2.520 -21.331 12.022 22 H SER 6 H SER 6 1.596 -19.802 10.440 23 HA SER 6 HA SER 6 2.182 -17.266 11.318 24 HB2 SER 6 1HB SER 6 2.705 -18.281 9.051 25 HB3 SER 6 2HB SER 6 1.069 -17.836 8.568 26 HG SER 6 HG SER 6 1.584 -15.731 8.693 27 H GLY 7 H GLY 7 -0.899 -18.438 10.000 28 HA2 GLY 7 1HA GLY 7 -2.970 -17.419 9.885 29 HA3 GLY 7 2HA GLY 7 -2.622 -17.046 11.566 30 H THR 8 H THR 8 -2.633 -15.837 8.295 31 HA THR 8 HA THR 8 -2.539 -13.106 9.368 32 HB THR 8 HB THR 8 -1.112 -13.909 6.830 33 HG1 THR 8 HG1 THR 8 -0.263 -13.810 9.496 34 HG21 THR 8 3HG2 THR 8 -0.014 -11.576 7.615 35 HG22 THR 8 1HG2 THR 8 -1.652 -11.364 8.230 36 HG23 THR 8 2HG2 THR 8 -1.388 -11.682 6.516 37 H GLY 9 H GLY 9 -3.657 -11.537 8.131 38 HA2 GLY 9 1HA GLY 9 -5.869 -12.661 6.621 39 HA3 GLY 9 2HA GLY 9 -5.701 -10.991 7.142 40 H GLU 10 H GLU 10 -5.748 -12.965 4.505 41 HA GLU 10 HA GLU 10 -3.870 -11.385 2.924 42 HB2 GLU 10 1HB GLU 10 -5.292 -13.977 2.549 43 HB3 GLU 10 2HB GLU 10 -4.843 -13.069 1.111 44 HG2 GLU 10 1HG GLU 10 -2.509 -12.972 2.358 45 HG3 GLU 10 2HG GLU 10 -3.135 -14.442 3.103 46 H LYS 11 H LYS 11 -4.542 -9.605 1.947 47 HA LYS 11 HA LYS 11 -7.340 -9.468 1.032 48 HB2 LYS 11 1HB LYS 11 -5.626 -7.402 2.374 49 HB3 LYS 11 2HB LYS 11 -6.950 -6.912 1.325 50 HG2 LYS 11 1HG LYS 11 -7.935 -6.899 3.406 51 HG3 LYS 11 2HG LYS 11 -8.377 -8.495 2.795 52 HD2 LYS 11 1HD LYS 11 -6.345 -9.386 3.999 53 HD3 LYS 11 2HD LYS 11 -6.208 -7.803 4.768 54 HE2 LYS 11 1HE LYS 11 -7.426 -8.999 6.327 55 HE3 LYS 11 2HE LYS 11 -8.694 -8.187 5.410 56 HZ1 LYS 11 3HZ LYS 11 -9.547 -10.143 4.878 57 HZ2 LYS 11 1HZ LYS 11 -8.383 -10.915 5.833 58 HZ3 LYS 11 2HZ LYS 11 -8.087 -10.650 4.189 59 HA PRO 12 HA PRO 12 -5.904 -8.565 -3.015 60 HB2 PRO 12 1HB PRO 12 -7.765 -6.790 -3.885 61 HB3 PRO 12 2HB PRO 12 -8.106 -8.511 -3.670 62 HG2 PRO 12 1HG PRO 12 -8.727 -6.215 -1.852 63 HG3 PRO 12 2HG PRO 12 -9.744 -7.598 -2.295 64 HD2 PRO 12 1HD PRO 12 -8.396 -7.474 0.050 65 HD3 PRO 12 2HD PRO 12 -8.705 -9.005 -0.794 66 H TYR 13 H TYR 13 -5.939 -6.194 -0.603 67 HA TYR 13 HA TYR 13 -4.467 -4.311 -2.327 68 HB2 TYR 13 1HB TYR 13 -6.314 -3.867 -0.007 69 HB3 TYR 13 2HB TYR 13 -5.068 -2.679 -0.373 70 HD1 TYR 13 HD2 TYR 13 -7.344 -4.712 -2.535 71 HD2 TYR 13 HD1 TYR 13 -6.031 -0.836 -1.372 72 HE1 TYR 13 HE2 TYR 13 -8.805 -3.712 -4.241 73 HE2 TYR 13 HE1 TYR 13 -7.490 0.176 -3.074 74 HH TYR 13 HH TYR 13 -8.547 -0.526 -5.245 75 H LYS 14 H LYS 14 -2.408 -5.063 -2.045 76 HA LYS 14 HA LYS 14 -1.347 -4.921 0.700 77 HB2 LYS 14 1HB LYS 14 -1.522 -7.252 -0.470 78 HB3 LYS 14 2HB LYS 14 -0.117 -6.703 -1.375 79 HG2 LYS 14 1HG LYS 14 1.244 -6.686 0.488 80 HG3 LYS 14 2HG LYS 14 -0.115 -6.562 1.608 81 HD2 LYS 14 1HD LYS 14 -0.767 -8.869 1.028 82 HD3 LYS 14 2HD LYS 14 0.642 -8.983 -0.030 83 HE2 LYS 14 1HE LYS 14 2.123 -8.670 1.860 84 HE3 LYS 14 2HE LYS 14 0.746 -8.434 2.935 85 HZ1 LYS 14 3HZ LYS 14 0.263 -10.836 1.732 86 HZ2 LYS 14 1HZ LYS 14 0.860 -10.608 3.299 87 HZ3 LYS 14 2HZ LYS 14 1.930 -10.865 2.015 88 H CYS 15 H CYS 15 0.985 -4.428 0.804 89 HA CYS 15 HA CYS 15 1.657 -2.400 -1.192 90 HB2 CYS 15 1HB CYS 15 1.694 -1.773 1.201 91 HB3 CYS 15 2HB CYS 15 2.942 -2.981 1.485 92 H ASN 16 H ASN 16 2.867 -3.032 -2.845 93 HA ASN 16 HA ASN 16 4.361 -5.417 -2.922 94 HB2 ASN 16 1HB ASN 16 4.538 -2.964 -4.684 95 HB3 ASN 16 2HB ASN 16 5.283 -4.518 -5.046 96 HD21 ASN 16 1HD2 ASN 16 2.658 -2.616 -5.596 97 HD22 ASN 16 2HD2 ASN 16 1.533 -3.823 -6.109 98 H GLU 17 H GLU 17 5.152 -2.187 -1.917 99 HA GLU 17 HA GLU 17 7.928 -2.221 -2.139 100 HB2 GLU 17 1HB GLU 17 6.397 -0.945 0.128 101 HB3 GLU 17 2HB GLU 17 7.955 -0.453 -0.522 102 HG2 GLU 17 1HG GLU 17 5.307 -0.294 -1.943 103 HG3 GLU 17 2HG GLU 17 6.202 1.053 -1.242 104 H CYS 18 H CYS 18 5.864 -3.308 0.539 105 HA CYS 18 HA CYS 18 8.142 -4.885 1.535 106 HB2 CYS 18 1HB CYS 18 7.285 -4.487 3.846 107 HB3 CYS 18 2HB CYS 18 7.877 -3.031 3.054 108 H GLY 19 H GLY 19 4.603 -4.503 1.660 109 HA2 GLY 19 1HA GLY 19 3.329 -6.473 0.832 110 HA3 GLY 19 2HA GLY 19 4.410 -7.449 1.816 111 H LYS 20 H LYS 20 2.306 -4.599 2.248 112 HA LYS 20 HA LYS 20 1.332 -5.839 4.739 113 HB2 LYS 20 1HB LYS 20 2.680 -3.620 4.818 114 HB3 LYS 20 2HB LYS 20 1.206 -2.887 4.199 115 HG2 LYS 20 1HG LYS 20 0.847 -2.608 6.419 116 HG3 LYS 20 2HG LYS 20 0.133 -4.210 6.224 117 HD2 LYS 20 1HD LYS 20 2.614 -4.980 6.727 118 HD3 LYS 20 2HD LYS 20 2.688 -3.406 7.521 119 HE2 LYS 20 1HE LYS 20 2.049 -5.076 9.133 120 HE3 LYS 20 2HE LYS 20 0.674 -4.017 8.823 121 HZ1 LYS 20 3HZ LYS 20 0.705 -6.271 7.072 122 HZ2 LYS 20 1HZ LYS 20 -0.526 -5.719 8.093 123 HZ3 LYS 20 2HZ LYS 20 0.676 -6.746 8.696 124 H VAL 21 H VAL 21 -0.762 -6.323 4.831 125 HA VAL 21 HA VAL 21 -2.495 -5.479 2.640 126 HB VAL 21 HB VAL 21 -4.116 -7.120 3.689 127 HG11 VAL 21 1HG1 VAL 21 -1.428 -8.141 2.777 128 HG12 VAL 21 2HG1 VAL 21 -2.918 -9.086 2.823 129 HG13 VAL 21 3HG1 VAL 21 -2.786 -7.698 1.743 130 HG21 VAL 21 3HG2 VAL 21 -1.973 -8.516 5.097 131 HG22 VAL 21 1HG2 VAL 21 -2.422 -6.981 5.840 132 HG23 VAL 21 2HG2 VAL 21 -3.644 -8.225 5.578 133 H PHE 22 H PHE 22 -4.733 -4.832 3.120 134 HA PHE 22 HA PHE 22 -5.288 -3.738 5.734 135 HB2 PHE 22 1HB PHE 22 -5.193 -1.843 3.383 136 HB3 PHE 22 2HB PHE 22 -5.499 -1.442 5.070 137 HD1 PHE 22 HD2 PHE 22 -2.943 -2.392 2.620 138 HD2 PHE 22 HD1 PHE 22 -3.704 -1.230 6.643 139 HE1 PHE 22 HE2 PHE 22 -0.541 -1.976 2.950 140 HE2 PHE 22 HE1 PHE 22 -1.303 -0.811 6.980 141 HZ PHE 22 HZ PHE 22 0.282 -1.186 5.133 142 H THR 23 H THR 23 -7.466 -2.590 5.715 143 HA THR 23 HA THR 23 -9.321 -4.262 4.236 144 HB THR 23 HB THR 23 -11.065 -3.233 5.624 145 HG1 THR 23 HG1 THR 23 -9.031 -1.819 7.000 146 HG21 THR 23 3HG2 THR 23 -9.939 -5.162 6.538 147 HG22 THR 23 1HG2 THR 23 -10.244 -4.011 7.838 148 HG23 THR 23 2HG2 THR 23 -8.627 -4.154 7.148 149 H GLN 24 H GLN 24 -8.783 -0.770 4.704 150 HA GLN 24 HA GLN 24 -10.377 -0.259 2.293 151 HB2 GLN 24 1HB GLN 24 -10.735 0.908 4.618 152 HB3 GLN 24 2HB GLN 24 -9.389 1.914 4.098 153 HG2 GLN 24 1HG GLN 24 -10.592 2.696 2.209 154 HG3 GLN 24 2HG GLN 24 -11.871 1.507 2.454 155 HE21 GLN 24 1HE2 GLN 24 -10.208 3.891 4.497 156 HE22 GLN 24 2HE2 GLN 24 -11.649 4.622 5.109 157 H ASN 25 H ASN 25 -9.604 1.326 0.751 158 HA ASN 25 HA ASN 25 -6.950 0.841 -0.062 159 HB2 ASN 25 1HB ASN 25 -7.381 2.625 -1.750 160 HB3 ASN 25 2HB ASN 25 -8.644 1.399 -1.695 161 HD21 ASN 25 1HD2 ASN 25 -8.367 4.435 -2.314 162 HD22 ASN 25 2HD2 ASN 25 -9.762 5.102 -1.544 163 H SER 26 H SER 26 -8.470 3.708 1.390 164 HA SER 26 HA SER 26 -6.349 5.452 1.387 165 HB2 SER 26 1HB SER 26 -8.500 6.191 2.160 166 HB3 SER 26 2HB SER 26 -8.480 5.036 3.493 167 HG SER 26 HG SER 26 -7.324 6.382 4.619 168 H HIS 27 H HIS 27 -7.145 3.136 3.979 169 HA HIS 27 HA HIS 27 -5.100 3.596 5.724 170 HB2 HIS 27 1HB HIS 27 -6.192 0.894 4.914 171 HB3 HIS 27 2HB HIS 27 -5.269 1.218 6.378 172 HD1 HIS 27 HD1 HIS 27 -8.144 0.083 6.488 173 HD2 HIS 27 HD2 HIS 27 -7.192 4.116 6.785 174 HE1 HIS 27 HE1 HIS 27 -10.078 1.142 7.697 175 H LEU 28 H LEU 28 -4.969 1.596 2.799 176 HA LEU 28 HA LEU 28 -2.248 0.826 3.169 177 HB2 LEU 28 1HB LEU 28 -3.522 -0.628 1.859 178 HB3 LEU 28 2HB LEU 28 -4.183 0.684 0.885 179 HG LEU 28 HG LEU 28 -1.857 0.978 -0.066 180 HD11 LEU 28 1HD1 LEU 28 -0.772 -0.314 1.807 181 HD12 LEU 28 2HD1 LEU 28 -0.257 -0.744 0.176 182 HD13 LEU 28 3HD1 LEU 28 -1.393 -1.778 1.043 183 HD21 LEU 28 3HD2 LEU 28 -3.372 -1.587 -0.522 184 HD22 LEU 28 1HD2 LEU 28 -2.091 -0.987 -1.575 185 HD23 LEU 28 2HD2 LEU 28 -3.576 -0.057 -1.375 186 H VAL 29 H VAL 29 -3.779 3.000 0.786 187 HA VAL 29 HA VAL 29 -1.654 4.024 -0.514 188 HB VAL 29 HB VAL 29 -3.955 5.658 0.567 189 HG11 VAL 29 1HG1 VAL 29 -3.405 7.366 -0.894 190 HG12 VAL 29 2HG1 VAL 29 -1.821 6.840 -0.319 191 HG13 VAL 29 3HG1 VAL 29 -2.404 6.322 -1.902 192 HG21 VAL 29 3HG2 VAL 29 -5.182 5.064 -1.294 193 HG22 VAL 29 1HG2 VAL 29 -3.750 4.630 -2.229 194 HG23 VAL 29 2HG2 VAL 29 -4.323 3.563 -0.947 195 H ARG 30 H ARG 30 -2.779 5.141 2.669 196 HA ARG 30 HA ARG 30 -0.843 7.138 3.033 197 HB2 ARG 30 1HB ARG 30 -2.678 5.611 4.808 198 HB3 ARG 30 2HB ARG 30 -1.342 6.463 5.570 199 HG2 ARG 30 1HG ARG 30 -2.093 8.550 4.514 200 HG3 ARG 30 2HG ARG 30 -3.458 7.681 3.808 201 HD2 ARG 30 1HD ARG 30 -3.906 6.986 6.292 202 HD3 ARG 30 2HD ARG 30 -2.933 8.412 6.654 203 HE ARG 30 HE ARG 30 -4.728 9.385 4.916 204 HH11 ARG 30 1HH1 ARG 30 -5.076 7.421 7.769 205 HH12 ARG 30 2HH1 ARG 30 -6.645 8.040 8.163 206 HH21 ARG 30 1HH2 ARG 30 -6.794 10.208 5.424 207 HH22 ARG 30 2HH2 ARG 30 -7.622 9.625 6.828 208 H HIS 31 H HIS 31 -0.900 3.773 4.200 209 HA HIS 31 HA HIS 31 1.459 3.668 5.577 210 HB2 HIS 31 1HB HIS 31 0.323 1.670 5.674 211 HB3 HIS 31 2HB HIS 31 -0.054 1.677 3.953 212 HD1 HIS 31 HD1 HIS 31 2.385 0.415 6.412 213 HD2 HIS 31 HD2 HIS 31 2.078 0.742 2.281 214 HE1 HIS 31 HE1 HIS 31 4.169 -1.095 5.483 215 H ARG 32 H ARG 32 1.088 3.033 2.087 216 HA ARG 32 HA ARG 32 3.593 2.478 1.294 217 HB2 ARG 32 1HB ARG 32 1.541 4.273 0.029 218 HB3 ARG 32 2HB ARG 32 3.090 3.985 -0.753 219 HG2 ARG 32 1HG ARG 32 2.645 1.617 -0.856 220 HG3 ARG 32 2HG ARG 32 1.143 1.832 0.045 221 HD2 ARG 32 1HD ARG 32 0.465 1.680 -2.189 222 HD3 ARG 32 2HD ARG 32 0.447 3.409 -1.841 223 HE ARG 32 HE ARG 32 2.146 3.702 -3.354 224 HH11 ARG 32 1HH1 ARG 32 1.814 0.313 -2.629 225 HH12 ARG 32 2HH1 ARG 32 2.901 -0.194 -3.879 226 HH21 ARG 32 1HH2 ARG 32 3.580 3.047 -5.002 227 HH22 ARG 32 2HH2 ARG 32 3.906 1.361 -5.227 228 H GLY 33 H GLY 33 2.522 5.509 2.608 229 HA2 GLY 33 1HA GLY 33 4.462 7.273 1.723 230 HA3 GLY 33 2HA GLY 33 3.701 7.353 3.306 231 H ILE 34 H ILE 34 4.641 5.090 4.525 232 HA ILE 34 HA ILE 34 6.976 5.786 5.686 233 HB ILE 34 HB ILE 34 7.320 3.506 6.361 234 HG12 ILE 34 1HG1 ILE 34 5.281 2.655 4.301 235 HG13 ILE 34 2HG1 ILE 34 7.018 2.576 4.023 236 HG21 ILE 34 1HG2 ILE 34 4.613 2.997 6.573 237 HG22 ILE 34 2HG2 ILE 34 5.588 3.950 7.690 238 HG23 ILE 34 3HG2 ILE 34 4.698 4.749 6.394 239 HD11 ILE 34 3HD1 ILE 34 6.792 0.489 4.790 240 HD12 ILE 34 1HD1 ILE 34 6.821 1.262 6.375 241 HD13 ILE 34 2HD1 ILE 34 5.280 0.847 5.624 242 H HIS 35 H HIS 35 6.600 4.430 2.515 243 HA HIS 35 HA HIS 35 9.450 3.909 2.230 244 HB2 HIS 35 1HB HIS 35 7.240 3.644 0.181 245 HB3 HIS 35 2HB HIS 35 8.883 3.025 0.034 246 HD1 HIS 35 HD1 HIS 35 9.466 0.882 1.349 247 HD2 HIS 35 HD2 HIS 35 5.526 2.125 1.793 248 HE1 HIS 35 HE1 HIS 35 8.267 -1.052 2.420 249 H THR 36 H THR 36 9.536 6.395 2.739 250 HA THR 36 HA THR 36 9.814 7.748 0.144 251 HB THR 36 HB THR 36 9.141 9.894 1.279 252 HG1 THR 36 HG1 THR 36 8.191 8.077 3.263 253 HG21 THR 36 3HG2 THR 36 7.355 9.390 0.019 254 HG22 THR 36 1HG2 THR 36 6.612 8.836 1.519 255 HG23 THR 36 2HG2 THR 36 7.420 7.683 0.457 256 H GLY 37 H GLY 37 10.586 8.043 3.618 257 HA2 GLY 37 1HA GLY 37 13.179 9.214 2.855 258 HA3 GLY 37 2HA GLY 37 12.406 9.397 4.422 259 H GLU 38 H GLU 38 12.980 8.061 6.027 260 HA GLU 38 HA GLU 38 15.235 6.522 5.985 261 HB2 GLU 38 1HB GLU 38 13.609 7.239 7.941 262 HB3 GLU 38 2HB GLU 38 12.980 5.612 7.719 263 HG2 GLU 38 1HG GLU 38 14.773 5.921 9.476 264 HG3 GLU 38 2HG GLU 38 15.013 4.620 8.311 265 H LYS 39 H LYS 39 15.616 5.019 4.466 266 HA LYS 39 HA LYS 39 13.604 3.219 3.511 267 HB2 LYS 39 1HB LYS 39 15.481 2.175 2.264 268 HB3 LYS 39 2HB LYS 39 15.367 3.912 2.014 269 HG2 LYS 39 1HG LYS 39 17.599 3.761 2.347 270 HG3 LYS 39 2HG LYS 39 17.097 3.922 4.032 271 HD2 LYS 39 1HD LYS 39 17.430 1.671 4.478 272 HD3 LYS 39 2HD LYS 39 17.305 1.213 2.778 273 HE2 LYS 39 1HE LYS 39 19.546 2.952 3.741 274 HE3 LYS 39 2HE LYS 39 19.627 1.199 3.915 275 HZ1 LYS 39 3HZ LYS 39 19.494 2.790 1.427 276 HZ2 LYS 39 1HZ LYS 39 19.106 1.143 1.445 277 HZ3 LYS 39 2HZ LYS 39 20.657 1.652 1.889 278 HA PRO 40 HA PRO 40 13.977 0.046 6.544 279 HB2 PRO 40 1HB PRO 40 13.004 -2.031 5.093 280 HB3 PRO 40 2HB PRO 40 11.977 -0.746 5.739 281 HG2 PRO 40 1HG PRO 40 13.074 -1.085 2.974 282 HG3 PRO 40 2HG PRO 40 11.447 -0.592 3.480 283 HD2 PRO 40 1HD PRO 40 13.321 1.184 2.662 284 HD3 PRO 40 2HD PRO 40 12.096 1.583 3.885 285 H SER 41 H SER 41 15.901 0.303 3.848 286 HA SER 41 HA SER 41 17.858 -0.653 3.190 287 HB2 SER 41 1HB SER 41 17.742 -1.758 6.004 288 HB3 SER 41 2HB SER 41 19.138 -1.928 4.940 289 HG SER 41 HG SER 41 19.679 -0.064 5.748 290 H GLY 42 H GLY 42 15.591 -1.911 2.282 291 HA2 GLY 42 1HA GLY 42 16.568 -4.399 1.439 292 HA3 GLY 42 2HA GLY 42 15.458 -4.680 2.772 293 HA PRO 43 HA PRO 43 13.086 -2.821 -1.064 294 HB2 PRO 43 1HB PRO 43 14.178 -3.573 -3.433 295 HB3 PRO 43 2HB PRO 43 14.590 -2.057 -2.624 296 HG2 PRO 43 1HG PRO 43 16.079 -4.654 -2.652 297 HG3 PRO 43 2HG PRO 43 16.706 -3.003 -2.814 298 HD2 PRO 43 1HD PRO 43 16.829 -4.388 -0.490 299 HD3 PRO 43 2HD PRO 43 16.644 -2.623 -0.541 300 H SER 44 H SER 44 14.251 -5.824 -0.231 301 HA SER 44 HA SER 44 11.867 -7.136 -1.180 302 HB2 SER 44 1HB SER 44 13.462 -7.280 -3.122 303 HB3 SER 44 2HB SER 44 14.538 -8.224 -2.092 304 HG SER 44 HG SER 44 13.208 -9.889 -2.195 305 H SER 45 H SER 45 11.224 -8.052 0.651 306 HA SER 45 HA SER 45 13.149 -9.027 2.589 307 HB2 SER 45 1HB SER 45 10.126 -8.890 2.632 308 HB3 SER 45 2HB SER 45 11.106 -9.497 3.966 309 HG SER 45 HG SER 45 11.721 -6.981 2.920 310 H GLY 46 H GLY 46 10.350 -10.395 0.845 311 HA2 GLY 46 1HA GLY 46 11.234 -12.623 -0.243 312 HA3 GLY 46 2HA GLY 46 11.322 -13.088 1.449 Start of MODEL 13 1 H1 GLY 1 H GLY 1 11.019 -26.854 7.500 2 HA2 GLY 1 1HA GLY 1 10.897 -26.444 5.029 3 HA3 GLY 1 2HA GLY 1 9.740 -25.483 5.938 4 H SER 2 H SER 2 13.244 -25.201 5.346 5 HA SER 2 HA SER 2 13.465 -22.483 5.368 6 HB2 SER 2 1HB SER 2 14.930 -24.568 3.768 7 HB3 SER 2 2HB SER 2 15.340 -22.859 3.618 8 HG SER 2 HG SER 2 16.433 -23.083 5.385 9 H SER 3 H SER 3 13.097 -24.374 2.363 10 HA SER 3 HA SER 3 12.262 -21.988 0.940 11 HB2 SER 3 1HB SER 3 12.883 -24.816 0.126 12 HB3 SER 3 2HB SER 3 12.070 -23.716 -0.988 13 HG SER 3 HG SER 3 14.681 -23.834 -0.298 14 H GLY 4 H GLY 4 10.356 -22.307 -0.640 15 HA2 GLY 4 1HA GLY 4 8.242 -23.774 -0.730 16 HA3 GLY 4 2HA GLY 4 8.093 -23.306 0.958 17 H SER 5 H SER 5 6.266 -22.808 -1.267 18 HA SER 5 HA SER 5 6.287 -19.861 -1.212 19 HB2 SER 5 1HB SER 5 6.696 -20.739 -3.482 20 HB3 SER 5 2HB SER 5 5.188 -21.649 -3.396 21 HG SER 5 HG SER 5 5.593 -18.880 -3.617 22 H SER 6 H SER 6 4.987 -19.655 0.591 23 HA SER 6 HA SER 6 2.201 -20.538 0.231 24 HB2 SER 6 1HB SER 6 2.073 -20.762 2.728 25 HB3 SER 6 2HB SER 6 3.142 -21.934 1.958 26 HG SER 6 HG SER 6 3.846 -19.600 3.395 27 H GLY 7 H GLY 7 0.647 -19.237 1.565 28 HA2 GLY 7 1HA GLY 7 1.570 -16.438 1.785 29 HA3 GLY 7 2HA GLY 7 0.025 -16.859 1.060 30 H THR 8 H THR 8 1.139 -15.424 3.634 31 HA THR 8 HA THR 8 -0.613 -16.782 5.565 32 HB THR 8 HB THR 8 1.746 -16.406 6.260 33 HG1 THR 8 HG1 THR 8 1.077 -15.245 8.273 34 HG21 THR 8 3HG2 THR 8 2.760 -14.440 5.992 35 HG22 THR 8 1HG2 THR 8 1.499 -13.616 6.909 36 HG23 THR 8 2HG2 THR 8 1.315 -13.852 5.171 37 H GLY 9 H GLY 9 -1.836 -15.268 3.552 38 HA2 GLY 9 1HA GLY 9 -3.556 -13.632 5.040 39 HA3 GLY 9 2HA GLY 9 -2.366 -12.595 4.267 40 H GLU 10 H GLU 10 -5.337 -13.023 3.891 41 HA GLU 10 HA GLU 10 -5.235 -13.435 0.976 42 HB2 GLU 10 1HB GLU 10 -6.358 -15.336 1.996 43 HB3 GLU 10 2HB GLU 10 -7.433 -14.260 2.879 44 HG2 GLU 10 1HG GLU 10 -8.509 -15.283 0.929 45 HG3 GLU 10 2HG GLU 10 -8.458 -13.524 0.829 46 H LYS 11 H LYS 11 -4.945 -11.141 0.806 47 HA LYS 11 HA LYS 11 -7.494 -9.705 0.964 48 HB2 LYS 11 1HB LYS 11 -5.741 -9.237 2.897 49 HB3 LYS 11 2HB LYS 11 -5.010 -8.209 1.672 50 HG2 LYS 11 1HG LYS 11 -6.482 -6.906 3.060 51 HG3 LYS 11 2HG LYS 11 -7.148 -7.015 1.429 52 HD2 LYS 11 1HD LYS 11 -8.745 -8.654 2.113 53 HD3 LYS 11 2HD LYS 11 -7.977 -8.824 3.693 54 HE2 LYS 11 1HE LYS 11 -9.078 -6.191 2.775 55 HE3 LYS 11 2HE LYS 11 -10.122 -7.408 3.508 56 HZ1 LYS 11 3HZ LYS 11 -8.570 -7.413 5.430 57 HZ2 LYS 11 1HZ LYS 11 -9.382 -5.945 5.210 58 HZ3 LYS 11 2HZ LYS 11 -7.764 -6.096 4.740 59 HA PRO 12 HA PRO 12 -6.360 -8.651 -3.176 60 HB2 PRO 12 1HB PRO 12 -8.234 -6.729 -3.583 61 HB3 PRO 12 2HB PRO 12 -8.615 -8.455 -3.571 62 HG2 PRO 12 1HG PRO 12 -8.952 -6.425 -1.396 63 HG3 PRO 12 2HG PRO 12 -10.063 -7.708 -1.911 64 HD2 PRO 12 1HD PRO 12 -8.471 -7.946 0.266 65 HD3 PRO 12 2HD PRO 12 -8.925 -9.336 -0.742 66 H TYR 13 H TYR 13 -6.117 -6.600 -0.475 67 HA TYR 13 HA TYR 13 -4.682 -4.581 -2.073 68 HB2 TYR 13 1HB TYR 13 -6.222 -4.273 0.507 69 HB3 TYR 13 2HB TYR 13 -5.155 -3.030 -0.137 70 HD1 TYR 13 HD1 TYR 13 -5.756 -1.802 -2.164 71 HD2 TYR 13 HD2 TYR 13 -8.365 -4.729 -0.512 72 HE1 TYR 13 HE1 TYR 13 -7.596 -0.931 -3.543 73 HE2 TYR 13 HE2 TYR 13 -10.212 -3.867 -1.888 74 HH TYR 13 HH TYR 13 -10.477 -1.137 -3.109 75 H LYS 14 H LYS 14 -2.566 -4.873 -1.901 76 HA LYS 14 HA LYS 14 -1.399 -5.208 0.760 77 HB2 LYS 14 1HB LYS 14 -1.670 -7.442 -0.546 78 HB3 LYS 14 2HB LYS 14 -0.334 -6.844 -1.522 79 HG2 LYS 14 1HG LYS 14 1.031 -6.641 0.518 80 HG3 LYS 14 2HG LYS 14 -0.304 -7.321 1.452 81 HD2 LYS 14 1HD LYS 14 -0.176 -9.386 0.189 82 HD3 LYS 14 2HD LYS 14 1.083 -8.705 -0.844 83 HE2 LYS 14 1HE LYS 14 2.371 -9.883 0.635 84 HE3 LYS 14 2HE LYS 14 2.298 -8.327 1.461 85 HZ1 LYS 14 3HZ LYS 14 1.741 -9.729 3.151 86 HZ2 LYS 14 1HZ LYS 14 0.983 -10.855 2.141 87 HZ3 LYS 14 2HZ LYS 14 0.195 -9.413 2.541 88 H CYS 15 H CYS 15 0.499 -4.141 1.050 89 HA CYS 15 HA CYS 15 1.217 -2.139 -0.828 90 HB2 CYS 15 1HB CYS 15 1.479 -1.924 1.645 91 HB3 CYS 15 2HB CYS 15 2.795 -3.091 1.571 92 H ASN 16 H ASN 16 2.381 -2.387 -2.606 93 HA ASN 16 HA ASN 16 3.981 -4.759 -3.011 94 HB2 ASN 16 1HB ASN 16 3.805 -2.422 -4.903 95 HB3 ASN 16 2HB ASN 16 4.116 -4.114 -5.278 96 HD21 ASN 16 1HD2 ASN 16 2.420 -5.537 -5.444 97 HD22 ASN 16 2HD2 ASN 16 0.770 -5.028 -5.495 98 H GLU 17 H GLU 17 4.931 -3.080 -0.935 99 HA GLU 17 HA GLU 17 7.545 -2.339 -2.060 100 HB2 GLU 17 1HB GLU 17 6.029 -0.798 0.054 101 HB3 GLU 17 2HB GLU 17 7.663 -0.444 -0.490 102 HG2 GLU 17 1HG GLU 17 5.447 -0.523 -2.479 103 HG3 GLU 17 2HG GLU 17 5.630 0.885 -1.434 104 H CYS 18 H CYS 18 5.724 -3.162 0.870 105 HA CYS 18 HA CYS 18 8.173 -4.407 1.939 106 HB2 CYS 18 1HB CYS 18 7.186 -4.008 4.205 107 HB3 CYS 18 2HB CYS 18 7.593 -2.533 3.333 108 H GLY 19 H GLY 19 4.621 -4.590 1.903 109 HA2 GLY 19 1HA GLY 19 3.676 -6.768 1.224 110 HA3 GLY 19 2HA GLY 19 4.886 -7.513 2.257 111 H LYS 20 H LYS 20 2.196 -5.186 2.413 112 HA LYS 20 HA LYS 20 1.231 -6.549 4.809 113 HB2 LYS 20 1HB LYS 20 2.734 -4.425 5.264 114 HB3 LYS 20 2HB LYS 20 1.259 -3.561 4.852 115 HG2 LYS 20 1HG LYS 20 0.067 -4.790 6.614 116 HG3 LYS 20 2HG LYS 20 1.575 -5.601 7.045 117 HD2 LYS 20 1HD LYS 20 2.584 -3.497 7.655 118 HD3 LYS 20 2HD LYS 20 1.168 -2.611 7.085 119 HE2 LYS 20 1HE LYS 20 0.971 -4.688 9.244 120 HE3 LYS 20 2HE LYS 20 1.399 -3.016 9.605 121 HZ1 LYS 20 3HZ LYS 20 -1.028 -3.689 8.059 122 HZ2 LYS 20 1HZ LYS 20 -0.668 -2.257 8.885 123 HZ3 LYS 20 2HZ LYS 20 -1.040 -3.662 9.750 124 H VAL 21 H VAL 21 -0.929 -6.741 4.846 125 HA VAL 21 HA VAL 21 -2.437 -5.507 2.671 126 HB VAL 21 HB VAL 21 -4.256 -7.057 3.349 127 HG11 VAL 21 1HG1 VAL 21 -2.758 -7.750 1.608 128 HG12 VAL 21 2HG1 VAL 21 -1.557 -8.279 2.788 129 HG13 VAL 21 3HG1 VAL 21 -3.091 -9.138 2.642 130 HG21 VAL 21 3HG2 VAL 21 -4.191 -8.358 5.189 131 HG22 VAL 21 1HG2 VAL 21 -2.460 -8.659 5.042 132 HG23 VAL 21 2HG2 VAL 21 -3.035 -7.155 5.761 133 H PHE 22 H PHE 22 -4.592 -4.628 3.101 134 HA PHE 22 HA PHE 22 -5.014 -3.615 5.809 135 HB2 PHE 22 1HB PHE 22 -4.887 -1.838 3.363 136 HB3 PHE 22 2HB PHE 22 -5.395 -1.322 4.967 137 HD1 PHE 22 HD2 PHE 22 -2.536 -2.534 2.979 138 HD2 PHE 22 HD1 PHE 22 -3.817 -0.779 6.639 139 HE1 PHE 22 HE2 PHE 22 -0.198 -2.022 3.549 140 HE2 PHE 22 HE1 PHE 22 -1.481 -0.263 7.214 141 HZ PHE 22 HZ PHE 22 0.332 -0.886 5.668 142 H THR 23 H THR 23 -7.172 -2.525 6.005 143 HA THR 23 HA THR 23 -9.152 -4.148 4.637 144 HB THR 23 HB THR 23 -9.419 -3.894 7.028 145 HG1 THR 23 HG1 THR 23 -11.540 -3.620 6.876 146 HG21 THR 23 3HG2 THR 23 -9.136 -1.977 8.148 147 HG22 THR 23 1HG2 THR 23 -10.199 -1.089 7.057 148 HG23 THR 23 2HG2 THR 23 -8.500 -1.317 6.641 149 H GLN 24 H GLN 24 -8.168 -0.776 4.842 150 HA GLN 24 HA GLN 24 -10.078 -0.157 2.684 151 HB2 GLN 24 1HB GLN 24 -9.320 1.350 5.133 152 HB3 GLN 24 2HB GLN 24 -9.614 2.283 3.671 153 HG2 GLN 24 1HG GLN 24 -11.708 2.284 4.529 154 HG3 GLN 24 2HG GLN 24 -11.794 0.794 3.592 155 HE21 GLN 24 1HE2 GLN 24 -12.791 -0.751 4.646 156 HE22 GLN 24 2HE2 GLN 24 -12.704 -1.054 6.345 157 H ASN 25 H ASN 25 -9.342 0.940 0.912 158 HA ASN 25 HA ASN 25 -6.668 0.690 0.173 159 HB2 ASN 25 1HB ASN 25 -8.297 0.894 -1.550 160 HB3 ASN 25 2HB ASN 25 -8.887 2.425 -0.909 161 HD21 ASN 25 1HD2 ASN 25 -8.339 4.069 -2.123 162 HD22 ASN 25 2HD2 ASN 25 -6.857 4.251 -2.993 163 H SER 26 H SER 26 -8.430 3.524 1.380 164 HA SER 26 HA SER 26 -6.558 5.494 1.125 165 HB2 SER 26 1HB SER 26 -8.497 4.960 3.376 166 HB3 SER 26 2HB SER 26 -7.515 6.423 3.301 167 HG SER 26 HG SER 26 -8.461 6.735 1.165 168 H HIS 27 H HIS 27 -6.798 3.183 3.819 169 HA HIS 27 HA HIS 27 -4.670 4.082 5.348 170 HB2 HIS 27 1HB HIS 27 -5.876 1.357 4.956 171 HB3 HIS 27 2HB HIS 27 -4.491 1.585 6.020 172 HD1 HIS 27 HD1 HIS 27 -5.513 1.327 8.280 173 HD2 HIS 27 HD2 HIS 27 -7.678 3.918 5.860 174 HE1 HIS 27 HE1 HIS 27 -7.279 2.320 9.769 175 H LEU 28 H LEU 28 -4.581 1.440 2.950 176 HA LEU 28 HA LEU 28 -1.845 0.986 3.002 177 HB2 LEU 28 1HB LEU 28 -3.298 -0.546 1.893 178 HB3 LEU 28 2HB LEU 28 -3.841 0.697 0.768 179 HG LEU 28 HG LEU 28 -1.573 0.731 -0.225 180 HD11 LEU 28 1HD1 LEU 28 -0.534 -0.206 1.931 181 HD12 LEU 28 2HD1 LEU 28 0.109 -0.756 0.384 182 HD13 LEU 28 3HD1 LEU 28 -0.996 -1.785 1.296 183 HD21 LEU 28 3HD2 LEU 28 -1.858 -1.221 -1.522 184 HD22 LEU 28 1HD2 LEU 28 -3.479 -0.716 -1.044 185 HD23 LEU 28 2HD2 LEU 28 -2.694 -2.060 -0.214 186 H VAL 29 H VAL 29 -3.676 3.104 0.800 187 HA VAL 29 HA VAL 29 -1.659 4.074 -0.773 188 HB VAL 29 HB VAL 29 -3.958 5.672 0.364 189 HG11 VAL 29 1HG1 VAL 29 -2.642 6.255 -2.251 190 HG12 VAL 29 2HG1 VAL 29 -3.563 7.324 -1.191 191 HG13 VAL 29 3HG1 VAL 29 -1.918 6.855 -0.760 192 HG21 VAL 29 3HG2 VAL 29 -3.905 4.499 -2.380 193 HG22 VAL 29 1HG2 VAL 29 -4.316 3.471 -1.007 194 HG23 VAL 29 2HG2 VAL 29 -5.283 4.904 -1.356 195 H ARG 30 H ARG 30 -2.722 5.495 2.321 196 HA ARG 30 HA ARG 30 -0.694 7.454 2.422 197 HB2 ARG 30 1HB ARG 30 -2.568 6.266 4.436 198 HB3 ARG 30 2HB ARG 30 -1.280 7.338 4.969 199 HG2 ARG 30 1HG ARG 30 -2.139 9.141 3.672 200 HG3 ARG 30 2HG ARG 30 -3.299 8.082 2.868 201 HD2 ARG 30 1HD ARG 30 -4.488 9.310 4.524 202 HD3 ARG 30 2HD ARG 30 -4.328 7.655 5.110 203 HE ARG 30 HE ARG 30 -2.260 9.435 6.030 204 HH11 ARG 30 1HH1 ARG 30 -5.447 8.170 6.633 205 HH12 ARG 30 2HH1 ARG 30 -5.398 8.499 8.333 206 HH21 ARG 30 1HH2 ARG 30 -2.184 9.873 8.267 207 HH22 ARG 30 2HH2 ARG 30 -3.542 9.469 9.261 208 H HIS 31 H HIS 31 -0.954 4.232 3.889 209 HA HIS 31 HA HIS 31 1.262 4.143 5.471 210 HB2 HIS 31 1HB HIS 31 0.069 2.174 5.536 211 HB3 HIS 31 2HB HIS 31 -0.115 2.102 3.786 212 HD1 HIS 31 HD1 HIS 31 2.209 1.154 6.551 213 HD2 HIS 31 HD2 HIS 31 1.970 0.824 2.417 214 HE1 HIS 31 HE1 HIS 31 4.003 -0.485 5.903 215 H ARG 32 H ARG 32 1.240 3.265 2.011 216 HA ARG 32 HA ARG 32 3.786 2.661 1.487 217 HB2 ARG 32 1HB ARG 32 1.838 4.340 -0.033 218 HB3 ARG 32 2HB ARG 32 3.484 4.201 -0.637 219 HG2 ARG 32 1HG ARG 32 3.283 1.909 -1.009 220 HG3 ARG 32 2HG ARG 32 1.870 1.771 0.039 221 HD2 ARG 32 1HD ARG 32 0.963 1.649 -2.098 222 HD3 ARG 32 2HD ARG 32 0.730 3.340 -1.654 223 HE ARG 32 HE ARG 32 3.168 3.157 -2.978 224 HH11 ARG 32 1HH1 ARG 32 -0.211 2.671 -3.660 225 HH12 ARG 32 2HH1 ARG 32 -0.066 3.083 -5.337 226 HH21 ARG 32 1HH2 ARG 32 3.372 3.701 -5.184 227 HH22 ARG 32 2HH2 ARG 32 1.973 3.667 -6.203 228 H GLY 33 H GLY 33 2.641 5.843 2.393 229 HA2 GLY 33 1HA GLY 33 4.646 7.534 1.687 230 HA3 GLY 33 2HA GLY 33 3.830 7.632 3.240 231 H ILE 34 H ILE 34 4.713 5.395 4.528 232 HA ILE 34 HA ILE 34 7.024 6.099 5.743 233 HB ILE 34 HB ILE 34 7.345 3.786 6.428 234 HG12 ILE 34 1HG1 ILE 34 5.195 3.058 4.431 235 HG13 ILE 34 2HG1 ILE 34 6.915 2.812 4.151 236 HG21 ILE 34 1HG2 ILE 34 4.832 3.330 7.039 237 HG22 ILE 34 2HG2 ILE 34 5.698 4.700 7.733 238 HG23 ILE 34 3HG2 ILE 34 4.604 4.946 6.373 239 HD11 ILE 34 3HD1 ILE 34 6.954 1.383 6.198 240 HD12 ILE 34 1HD1 ILE 34 5.196 1.509 6.241 241 HD13 ILE 34 2HD1 ILE 34 5.993 0.748 4.863 242 H HIS 35 H HIS 35 6.727 4.408 2.683 243 HA HIS 35 HA HIS 35 9.517 3.796 2.457 244 HB2 HIS 35 1HB HIS 35 7.392 3.869 0.305 245 HB3 HIS 35 2HB HIS 35 8.976 3.111 0.174 246 HD1 HIS 35 HD1 HIS 35 9.148 0.729 0.908 247 HD2 HIS 35 HD2 HIS 35 5.650 2.543 2.228 248 HE1 HIS 35 HE1 HIS 35 7.780 -1.115 1.934 249 H THR 36 H THR 36 7.368 6.189 0.936 250 HA THR 36 HA THR 36 9.600 7.531 -0.322 251 HB THR 36 HB THR 36 7.923 9.107 -1.182 252 HG1 THR 36 HG1 THR 36 6.552 8.582 0.871 253 HG21 THR 36 3HG2 THR 36 6.582 6.500 -1.605 254 HG22 THR 36 1HG2 THR 36 8.298 6.586 -2.003 255 HG23 THR 36 2HG2 THR 36 7.155 7.683 -2.781 256 H GLY 37 H GLY 37 9.850 7.452 2.476 257 HA2 GLY 37 1HA GLY 37 9.024 10.031 3.517 258 HA3 GLY 37 2HA GLY 37 9.929 8.796 4.380 259 H GLU 38 H GLU 38 11.328 10.443 5.173 260 HA GLU 38 HA GLU 38 13.056 11.722 3.182 261 HB2 GLU 38 1HB GLU 38 12.005 13.097 4.992 262 HB3 GLU 38 2HB GLU 38 12.955 12.195 6.164 263 HG2 GLU 38 1HG GLU 38 14.204 14.106 5.859 264 HG3 GLU 38 2HG GLU 38 14.984 12.958 4.772 265 H LYS 39 H LYS 39 14.951 10.851 2.709 266 HA LYS 39 HA LYS 39 16.786 9.500 2.776 267 HB2 LYS 39 1HB LYS 39 16.647 10.600 5.569 268 HB3 LYS 39 2HB LYS 39 17.927 9.488 5.104 269 HG2 LYS 39 1HG LYS 39 17.353 12.043 3.628 270 HG3 LYS 39 2HG LYS 39 18.497 11.927 4.967 271 HD2 LYS 39 1HD LYS 39 18.714 10.058 2.641 272 HD3 LYS 39 2HD LYS 39 19.349 11.700 2.518 273 HE2 LYS 39 1HE LYS 39 21.175 10.435 3.240 274 HE3 LYS 39 2HE LYS 39 20.567 11.189 4.713 275 HZ1 LYS 39 3HZ LYS 39 19.451 8.587 4.071 276 HZ2 LYS 39 1HZ LYS 39 19.935 9.221 5.563 277 HZ3 LYS 39 2HZ LYS 39 21.088 8.592 4.498 278 HA PRO 40 HA PRO 40 14.240 6.053 4.768 279 HB2 PRO 40 1HB PRO 40 13.479 4.841 2.461 280 HB3 PRO 40 2HB PRO 40 12.532 6.119 3.233 281 HG2 PRO 40 1HG PRO 40 14.436 6.300 0.929 282 HG3 PRO 40 2HG PRO 40 12.846 7.061 1.130 283 HD2 PRO 40 1HD PRO 40 15.165 8.399 1.538 284 HD3 PRO 40 2HD PRO 40 13.684 8.753 2.451 285 H SER 41 H SER 41 14.715 3.751 4.639 286 HA SER 41 HA SER 41 17.498 3.270 4.201 287 HB2 SER 41 1HB SER 41 15.187 1.674 5.220 288 HB3 SER 41 2HB SER 41 16.633 0.811 4.697 289 HG SER 41 HG SER 41 17.634 1.483 6.418 290 H GLY 42 H GLY 42 18.485 1.915 2.703 291 HA2 GLY 42 1HA GLY 42 16.947 1.554 0.231 292 HA3 GLY 42 2HA GLY 42 18.699 1.567 0.362 293 HA PRO 43 HA PRO 43 16.756 -2.819 0.489 294 HB2 PRO 43 1HB PRO 43 16.919 -3.489 -2.137 295 HB3 PRO 43 2HB PRO 43 15.481 -2.750 -1.421 296 HG2 PRO 43 1HG PRO 43 17.681 -1.473 -3.000 297 HG3 PRO 43 2HG PRO 43 15.930 -1.214 -3.108 298 HD2 PRO 43 1HD PRO 43 17.576 0.486 -1.792 299 HD3 PRO 43 2HD PRO 43 15.900 0.196 -1.285 300 H SER 44 H SER 44 19.214 -1.720 -1.856 301 HA SER 44 HA SER 44 21.287 -2.521 -2.372 302 HB2 SER 44 1HB SER 44 21.768 -1.536 -0.176 303 HB3 SER 44 2HB SER 44 21.326 -3.052 0.610 304 HG SER 44 HG SER 44 23.689 -2.375 -0.252 305 H SER 45 H SER 45 19.296 -4.359 -2.905 306 HA SER 45 HA SER 45 20.054 -6.934 -1.832 307 HB2 SER 45 1HB SER 45 17.683 -6.228 -2.502 308 HB3 SER 45 2HB SER 45 18.206 -6.460 -4.170 309 HG SER 45 HG SER 45 18.728 -8.521 -2.372 310 H GLY 46 H GLY 46 21.599 -8.197 -2.620 311 HA2 GLY 46 1HA GLY 46 22.444 -7.776 -5.422 312 HA3 GLY 46 2HA GLY 46 23.584 -8.097 -4.124 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -8.030 -34.642 7.747 2 HA2 GLY 1 1HA GLY 1 -6.633 -32.888 6.800 3 HA3 GLY 1 2HA GLY 1 -8.051 -32.312 5.935 4 H SER 2 H SER 2 -9.930 -31.700 7.446 5 HA SER 2 HA SER 2 -10.731 -30.220 8.977 6 HB2 SER 2 1HB SER 2 -8.492 -31.281 10.717 7 HB3 SER 2 2HB SER 2 -9.943 -30.447 11.271 8 HG SER 2 HG SER 2 -10.293 -32.714 9.691 9 H SER 3 H SER 3 -8.968 -29.162 7.088 10 HA SER 3 HA SER 3 -7.207 -27.339 8.530 11 HB2 SER 3 1HB SER 3 -6.407 -26.669 6.315 12 HB3 SER 3 2HB SER 3 -6.375 -28.425 6.474 13 HG SER 3 HG SER 3 -7.290 -27.920 4.505 14 H GLY 4 H GLY 4 -9.972 -27.200 6.297 15 HA2 GLY 4 1HA GLY 4 -11.760 -25.613 6.926 16 HA3 GLY 4 2HA GLY 4 -10.483 -24.461 7.285 17 H SER 5 H SER 5 -12.823 -25.011 5.167 18 HA SER 5 HA SER 5 -11.466 -24.690 2.669 19 HB2 SER 5 1HB SER 5 -14.379 -24.200 3.336 20 HB3 SER 5 2HB SER 5 -13.698 -24.393 1.720 21 HG SER 5 HG SER 5 -14.652 -26.327 2.577 22 H SER 6 H SER 6 -10.666 -22.888 1.832 23 HA SER 6 HA SER 6 -10.011 -20.692 1.728 24 HB2 SER 6 1HB SER 6 -11.803 -19.193 1.076 25 HB3 SER 6 2HB SER 6 -12.102 -20.780 0.368 26 HG SER 6 HG SER 6 -13.736 -19.394 1.860 27 H GLY 7 H GLY 7 -9.903 -21.603 4.355 28 HA2 GLY 7 1HA GLY 7 -11.260 -20.143 6.283 29 HA3 GLY 7 2HA GLY 7 -9.629 -20.770 6.477 30 H THR 8 H THR 8 -7.991 -19.382 5.069 31 HA THR 8 HA THR 8 -8.621 -16.538 5.236 32 HB THR 8 HB THR 8 -6.209 -17.710 6.636 33 HG1 THR 8 HG1 THR 8 -8.371 -16.353 7.870 34 HG21 THR 8 3HG2 THR 8 -6.784 -15.040 7.406 35 HG22 THR 8 1HG2 THR 8 -6.758 -15.096 5.644 36 HG23 THR 8 2HG2 THR 8 -5.361 -15.653 6.565 37 H GLY 9 H GLY 9 -8.260 -16.006 3.162 38 HA2 GLY 9 1HA GLY 9 -6.041 -17.178 1.695 39 HA3 GLY 9 2HA GLY 9 -7.262 -16.090 1.051 40 H GLU 10 H GLU 10 -6.556 -14.145 0.506 41 HA GLU 10 HA GLU 10 -4.586 -12.783 2.148 42 HB2 GLU 10 1HB GLU 10 -4.096 -13.353 -0.780 43 HB3 GLU 10 2HB GLU 10 -3.126 -12.278 0.217 44 HG2 GLU 10 1HG GLU 10 -3.505 -15.190 0.843 45 HG3 GLU 10 2HG GLU 10 -2.194 -14.581 -0.165 46 H LYS 11 H LYS 11 -4.958 -10.651 2.233 47 HA LYS 11 HA LYS 11 -7.272 -9.540 1.086 48 HB2 LYS 11 1HB LYS 11 -5.983 -8.798 3.183 49 HB3 LYS 11 2HB LYS 11 -4.941 -7.912 2.078 50 HG2 LYS 11 1HG LYS 11 -6.552 -6.382 2.882 51 HG3 LYS 11 2HG LYS 11 -6.999 -6.762 1.217 52 HD2 LYS 11 1HD LYS 11 -8.593 -8.470 2.139 53 HD3 LYS 11 2HD LYS 11 -8.247 -7.826 3.746 54 HE2 LYS 11 1HE LYS 11 -9.185 -5.729 3.216 55 HE3 LYS 11 2HE LYS 11 -9.193 -6.082 1.488 56 HZ1 LYS 11 3HZ LYS 11 -10.729 -8.052 2.436 57 HZ2 LYS 11 1HZ LYS 11 -11.332 -6.573 1.879 58 HZ3 LYS 11 2HZ LYS 11 -11.102 -6.822 3.535 59 HA PRO 12 HA PRO 12 -5.850 -8.500 -2.965 60 HB2 PRO 12 1HB PRO 12 -7.841 -6.772 -3.618 61 HB3 PRO 12 2HB PRO 12 -8.066 -8.525 -3.573 62 HG2 PRO 12 1HG PRO 12 -8.788 -6.469 -1.520 63 HG3 PRO 12 2HG PRO 12 -9.726 -7.865 -2.085 64 HD2 PRO 12 1HD PRO 12 -8.334 -7.888 0.238 65 HD3 PRO 12 2HD PRO 12 -8.564 -9.344 -0.753 66 H TYR 13 H TYR 13 -5.876 -6.446 -0.311 67 HA TYR 13 HA TYR 13 -4.579 -4.300 -1.861 68 HB2 TYR 13 1HB TYR 13 -6.460 -4.180 0.467 69 HB3 TYR 13 2HB TYR 13 -5.268 -2.902 0.251 70 HD1 TYR 13 HD2 TYR 13 -7.450 -4.804 -2.119 71 HD2 TYR 13 HD1 TYR 13 -6.268 -1.009 -0.601 72 HE1 TYR 13 HE2 TYR 13 -8.937 -3.701 -3.739 73 HE2 TYR 13 HE1 TYR 13 -7.752 0.105 -2.216 74 HH TYR 13 HH TYR 13 -9.000 -1.346 -4.871 75 H LYS 14 H LYS 14 -2.522 -5.217 -1.632 76 HA LYS 14 HA LYS 14 -1.419 -5.038 1.094 77 HB2 LYS 14 1HB LYS 14 -1.651 -7.398 0.160 78 HB3 LYS 14 2HB LYS 14 -0.416 -6.952 -1.011 79 HG2 LYS 14 1HG LYS 14 1.235 -6.763 0.618 80 HG3 LYS 14 2HG LYS 14 0.059 -6.634 1.928 81 HD2 LYS 14 1HD LYS 14 0.848 -8.806 2.155 82 HD3 LYS 14 2HD LYS 14 -0.634 -9.026 1.221 83 HE2 LYS 14 1HE LYS 14 1.917 -8.612 -0.252 84 HE3 LYS 14 2HE LYS 14 1.644 -10.174 0.517 85 HZ1 LYS 14 3HZ LYS 14 -0.532 -10.225 -0.684 86 HZ2 LYS 14 1HZ LYS 14 0.830 -10.324 -1.682 87 HZ3 LYS 14 2HZ LYS 14 -0.023 -8.869 -1.558 88 H CYS 15 H CYS 15 0.766 -4.345 1.258 89 HA CYS 15 HA CYS 15 1.491 -2.437 -0.788 90 HB2 CYS 15 1HB CYS 15 1.655 -1.956 1.671 91 HB3 CYS 15 2HB CYS 15 2.978 -3.114 1.755 92 H ASN 16 H ASN 16 2.588 -3.068 -2.520 93 HA ASN 16 HA ASN 16 4.058 -5.488 -2.663 94 HB2 ASN 16 1HB ASN 16 2.931 -4.037 -4.547 95 HB3 ASN 16 2HB ASN 16 4.508 -3.255 -4.606 96 HD21 ASN 16 1HD2 ASN 16 4.673 -4.061 -6.758 97 HD22 ASN 16 2HD2 ASN 16 5.150 -5.698 -7.042 98 H GLU 17 H GLU 17 4.842 -2.374 -1.527 99 HA GLU 17 HA GLU 17 7.621 -2.349 -2.093 100 HB2 GLU 17 1HB GLU 17 6.245 -0.970 0.212 101 HB3 GLU 17 2HB GLU 17 7.760 -0.515 -0.554 102 HG2 GLU 17 1HG GLU 17 5.190 -0.556 -2.088 103 HG3 GLU 17 2HG GLU 17 5.662 0.835 -1.113 104 H CYS 18 H CYS 18 5.820 -3.134 0.880 105 HA CYS 18 HA CYS 18 8.180 -4.642 1.797 106 HB2 CYS 18 1HB CYS 18 7.297 -4.257 4.108 107 HB3 CYS 18 2HB CYS 18 7.797 -2.788 3.278 108 H GLY 19 H GLY 19 4.624 -4.542 1.952 109 HA2 GLY 19 1HA GLY 19 3.516 -6.639 1.186 110 HA3 GLY 19 2HA GLY 19 4.669 -7.487 2.206 111 H LYS 20 H LYS 20 2.384 -4.769 2.562 112 HA LYS 20 HA LYS 20 1.382 -6.081 5.004 113 HB2 LYS 20 1HB LYS 20 2.802 -3.884 5.198 114 HB3 LYS 20 2HB LYS 20 1.311 -3.103 4.686 115 HG2 LYS 20 1HG LYS 20 0.138 -3.946 6.592 116 HG3 LYS 20 2HG LYS 20 1.518 -4.942 7.060 117 HD2 LYS 20 1HD LYS 20 2.799 -3.064 7.670 118 HD3 LYS 20 2HD LYS 20 1.714 -1.951 6.834 119 HE2 LYS 20 1HE LYS 20 -0.046 -2.453 8.459 120 HE3 LYS 20 2HE LYS 20 1.037 -3.568 9.290 121 HZ1 LYS 20 3HZ LYS 20 0.750 -1.058 10.030 122 HZ2 LYS 20 1HZ LYS 20 1.992 -0.840 8.902 123 HZ3 LYS 20 2HZ LYS 20 2.213 -1.888 10.211 124 H VAL 21 H VAL 21 -0.749 -6.424 5.087 125 HA VAL 21 HA VAL 21 -2.390 -5.451 2.879 126 HB VAL 21 HB VAL 21 -4.100 -7.038 3.767 127 HG11 VAL 21 1HG1 VAL 21 -3.207 -8.765 2.601 128 HG12 VAL 21 2HG1 VAL 21 -2.014 -7.538 2.167 129 HG13 VAL 21 3HG1 VAL 21 -1.667 -8.690 3.456 130 HG21 VAL 21 3HG2 VAL 21 -3.917 -7.841 5.829 131 HG22 VAL 21 1HG2 VAL 21 -2.429 -8.670 5.371 132 HG23 VAL 21 2HG2 VAL 21 -2.362 -7.032 6.020 133 H PHE 22 H PHE 22 -4.535 -4.598 3.273 134 HA PHE 22 HA PHE 22 -5.031 -3.489 5.922 135 HB2 PHE 22 1HB PHE 22 -4.905 -1.745 3.453 136 HB3 PHE 22 2HB PHE 22 -5.345 -1.219 5.075 137 HD1 PHE 22 HD2 PHE 22 -2.568 -2.571 3.038 138 HD2 PHE 22 HD1 PHE 22 -3.708 -0.585 6.626 139 HE1 PHE 22 HE2 PHE 22 -0.204 -2.084 3.516 140 HE2 PHE 22 HE1 PHE 22 -1.346 -0.094 7.109 141 HZ PHE 22 HZ PHE 22 0.410 -0.845 5.553 142 H THR 23 H THR 23 -7.197 -2.309 5.938 143 HA THR 23 HA THR 23 -9.119 -3.997 4.537 144 HB THR 23 HB THR 23 -10.792 -3.072 6.059 145 HG1 THR 23 HG1 THR 23 -9.976 -0.975 6.330 146 HG21 THR 23 3HG2 THR 23 -9.798 -4.945 7.010 147 HG22 THR 23 1HG2 THR 23 -9.592 -3.726 8.267 148 HG23 THR 23 2HG2 THR 23 -8.242 -4.142 7.211 149 H GLN 24 H GLN 24 -8.457 -0.541 5.044 150 HA GLN 24 HA GLN 24 -10.272 0.090 2.826 151 HB2 GLN 24 1HB GLN 24 -10.638 1.274 4.966 152 HB3 GLN 24 2HB GLN 24 -9.014 1.941 4.858 153 HG2 GLN 24 1HG GLN 24 -9.571 3.268 2.997 154 HG3 GLN 24 2HG GLN 24 -11.081 2.397 2.732 155 HE21 GLN 24 1HE2 GLN 24 -12.758 3.604 3.209 156 HE22 GLN 24 2HE2 GLN 24 -12.881 4.711 4.529 157 H ASN 25 H ASN 25 -9.608 1.479 1.135 158 HA ASN 25 HA ASN 25 -7.013 0.975 0.152 159 HB2 ASN 25 1HB ASN 25 -7.600 2.490 -1.669 160 HB3 ASN 25 2HB ASN 25 -8.955 1.426 -1.305 161 HD21 ASN 25 1HD2 ASN 25 -7.788 4.659 -1.340 162 HD22 ASN 25 2HD2 ASN 25 -9.272 5.431 -0.907 163 H SER 26 H SER 26 -8.484 3.940 1.459 164 HA SER 26 HA SER 26 -6.290 5.625 1.205 165 HB2 SER 26 1HB SER 26 -8.461 6.508 1.802 166 HB3 SER 26 2HB SER 26 -8.464 5.595 3.310 167 HG SER 26 HG SER 26 -6.290 7.257 2.938 168 H HIS 27 H HIS 27 -6.898 3.075 3.474 169 HA HIS 27 HA HIS 27 -4.991 3.880 5.434 170 HB2 HIS 27 1HB HIS 27 -6.486 1.343 4.860 171 HB3 HIS 27 2HB HIS 27 -5.180 1.348 6.041 172 HD1 HIS 27 HD1 HIS 27 -6.883 0.853 7.941 173 HD2 HIS 27 HD2 HIS 27 -7.514 4.450 5.960 174 HE1 HIS 27 HE1 HIS 27 -8.496 2.138 9.379 175 H LEU 28 H LEU 28 -4.889 1.826 2.579 176 HA LEU 28 HA LEU 28 -2.196 0.937 3.085 177 HB2 LEU 28 1HB LEU 28 -3.567 -0.589 1.926 178 HB3 LEU 28 2HB LEU 28 -4.097 0.639 0.779 179 HG LEU 28 HG LEU 28 -1.809 0.664 -0.179 180 HD11 LEU 28 1HD1 LEU 28 -1.133 -1.904 1.098 181 HD12 LEU 28 2HD1 LEU 28 -0.998 -0.473 2.119 182 HD13 LEU 28 3HD1 LEU 28 -0.094 -0.566 0.608 183 HD21 LEU 28 3HD2 LEU 28 -2.081 -1.978 -0.814 184 HD22 LEU 28 1HD2 LEU 28 -2.957 -0.652 -1.580 185 HD23 LEU 28 2HD2 LEU 28 -3.706 -1.561 -0.267 186 H VAL 29 H VAL 29 -3.739 3.044 0.661 187 HA VAL 29 HA VAL 29 -1.504 3.853 -0.732 188 HB VAL 29 HB VAL 29 -4.014 4.463 -1.068 189 HG11 VAL 29 1HG1 VAL 29 -4.100 5.714 1.112 190 HG12 VAL 29 2HG1 VAL 29 -3.105 6.958 0.352 191 HG13 VAL 29 3HG1 VAL 29 -4.709 6.596 -0.288 192 HG21 VAL 29 3HG2 VAL 29 -2.446 6.825 -1.790 193 HG22 VAL 29 1HG2 VAL 29 -1.680 5.295 -2.218 194 HG23 VAL 29 2HG2 VAL 29 -3.296 5.671 -2.817 195 H ARG 30 H ARG 30 -2.711 5.022 2.362 196 HA ARG 30 HA ARG 30 -0.893 7.210 2.559 197 HB2 ARG 30 1HB ARG 30 -3.031 7.114 3.799 198 HB3 ARG 30 2HB ARG 30 -2.403 5.774 4.749 199 HG2 ARG 30 1HG ARG 30 -1.012 7.108 5.974 200 HG3 ARG 30 2HG ARG 30 -0.854 8.309 4.690 201 HD2 ARG 30 1HD ARG 30 -2.899 9.298 5.195 202 HD3 ARG 30 2HD ARG 30 -3.478 7.879 6.066 203 HE ARG 30 HE ARG 30 -2.035 10.059 7.157 204 HH11 ARG 30 1HH1 ARG 30 -2.387 6.603 7.380 205 HH12 ARG 30 2HH1 ARG 30 -1.888 6.528 9.038 206 HH21 ARG 30 1HH2 ARG 30 -1.376 9.974 9.339 207 HH22 ARG 30 2HH2 ARG 30 -1.313 8.446 10.151 208 H HIS 31 H HIS 31 -0.928 3.901 3.818 209 HA HIS 31 HA HIS 31 1.306 4.002 5.456 210 HB2 HIS 31 1HB HIS 31 0.195 1.997 5.653 211 HB3 HIS 31 2HB HIS 31 -0.059 1.843 3.917 212 HD1 HIS 31 HD1 HIS 31 2.474 1.173 6.598 213 HD2 HIS 31 HD2 HIS 31 1.944 0.493 2.534 214 HE1 HIS 31 HE1 HIS 31 4.277 -0.455 5.948 215 H ARG 32 H ARG 32 1.159 3.173 1.996 216 HA ARG 32 HA ARG 32 3.748 2.578 1.445 217 HB2 ARG 32 1HB ARG 32 1.703 4.115 -0.123 218 HB3 ARG 32 2HB ARG 32 3.321 3.880 -0.771 219 HG2 ARG 32 1HG ARG 32 3.056 1.491 -0.705 220 HG3 ARG 32 2HG ARG 32 1.492 1.653 0.097 221 HD2 ARG 32 1HD ARG 32 1.035 1.235 -2.188 222 HD3 ARG 32 2HD ARG 32 0.721 2.950 -1.920 223 HE ARG 32 HE ARG 32 3.320 2.832 -2.771 224 HH11 ARG 32 1HH1 ARG 32 0.244 1.792 -4.025 225 HH12 ARG 32 2HH1 ARG 32 0.711 1.976 -5.684 226 HH21 ARG 32 1HH2 ARG 32 3.947 3.078 -4.950 227 HH22 ARG 32 2HH2 ARG 32 2.817 2.707 -6.209 228 H GLY 33 H GLY 33 2.521 5.625 2.491 229 HA2 GLY 33 1HA GLY 33 4.379 7.430 1.519 230 HA3 GLY 33 2HA GLY 33 3.593 7.567 3.085 231 H ILE 34 H ILE 34 4.676 5.262 4.299 232 HA ILE 34 HA ILE 34 7.042 6.260 5.371 233 HB ILE 34 HB ILE 34 7.351 4.123 6.437 234 HG12 ILE 34 1HG1 ILE 34 5.108 2.910 4.862 235 HG13 ILE 34 2HG1 ILE 34 6.737 2.906 4.195 236 HG21 ILE 34 1HG2 ILE 34 5.714 4.988 7.703 237 HG22 ILE 34 2HG2 ILE 34 4.718 5.397 6.307 238 HG23 ILE 34 3HG2 ILE 34 4.703 3.755 6.950 239 HD11 ILE 34 3HD1 ILE 34 7.266 1.939 6.626 240 HD12 ILE 34 1HD1 ILE 34 5.603 1.380 6.446 241 HD13 ILE 34 2HD1 ILE 34 6.821 0.923 5.255 242 H HIS 35 H HIS 35 6.519 4.681 2.402 243 HA HIS 35 HA HIS 35 9.265 3.744 2.154 244 HB2 HIS 35 1HB HIS 35 6.905 3.616 0.269 245 HB3 HIS 35 2HB HIS 35 8.503 2.981 -0.112 246 HD1 HIS 35 HD1 HIS 35 9.128 0.724 0.855 247 HD2 HIS 35 HD2 HIS 35 5.511 2.172 2.299 248 HE1 HIS 35 HE1 HIS 35 8.087 -1.194 2.105 249 H THR 36 H THR 36 7.095 5.997 0.449 250 HA THR 36 HA THR 36 9.074 7.065 -1.251 251 HB THR 36 HB THR 36 7.489 8.954 -1.591 252 HG1 THR 36 HG1 THR 36 6.317 7.766 0.655 253 HG21 THR 36 3HG2 THR 36 7.295 6.465 -2.533 254 HG22 THR 36 1HG2 THR 36 6.118 7.716 -2.927 255 HG23 THR 36 2HG2 THR 36 5.765 6.540 -1.661 256 H GLY 37 H GLY 37 10.879 7.468 0.129 257 HA2 GLY 37 1HA GLY 37 11.362 10.068 0.815 258 HA3 GLY 37 2HA GLY 37 10.685 9.366 2.277 259 H GLU 38 H GLU 38 11.777 7.451 3.161 260 HA GLU 38 HA GLU 38 14.656 7.463 2.531 261 HB2 GLU 38 1HB GLU 38 13.374 7.086 5.243 262 HB3 GLU 38 2HB GLU 38 15.098 7.032 4.905 263 HG2 GLU 38 1HG GLU 38 13.263 9.403 4.741 264 HG3 GLU 38 2HG GLU 38 14.624 9.156 5.833 265 H LYS 39 H LYS 39 14.277 5.692 1.092 266 HA LYS 39 HA LYS 39 14.055 3.132 2.515 267 HB2 LYS 39 1HB LYS 39 11.908 3.527 1.421 268 HB3 LYS 39 2HB LYS 39 12.721 3.816 -0.111 269 HG2 LYS 39 1HG LYS 39 11.827 1.619 -0.172 270 HG3 LYS 39 2HG LYS 39 13.578 1.473 -0.009 271 HD2 LYS 39 1HD LYS 39 13.222 1.227 2.468 272 HD3 LYS 39 2HD LYS 39 11.491 1.124 2.138 273 HE2 LYS 39 1HE LYS 39 13.541 -0.698 0.891 274 HE3 LYS 39 2HE LYS 39 12.676 -1.080 2.379 275 HZ1 LYS 39 3HZ LYS 39 11.125 -1.946 1.066 276 HZ2 LYS 39 1HZ LYS 39 11.789 -1.261 -0.331 277 HZ3 LYS 39 2HZ LYS 39 10.714 -0.366 0.621 278 HA PRO 40 HA PRO 40 17.923 3.249 0.023 279 HB2 PRO 40 1HB PRO 40 19.395 1.895 1.859 280 HB3 PRO 40 2HB PRO 40 19.148 3.644 1.926 281 HG2 PRO 40 1HG PRO 40 17.746 1.474 3.438 282 HG3 PRO 40 2HG PRO 40 18.339 3.040 4.021 283 HD2 PRO 40 1HD PRO 40 15.735 2.598 3.427 284 HD3 PRO 40 2HD PRO 40 16.510 4.179 3.203 285 H SER 41 H SER 41 17.153 1.823 -1.544 286 HA SER 41 HA SER 41 16.308 -0.770 -1.272 287 HB2 SER 41 1HB SER 41 16.576 0.759 -3.393 288 HB3 SER 41 2HB SER 41 18.113 -0.090 -3.567 289 HG SER 41 HG SER 41 16.274 -1.069 -4.661 290 H GLY 42 H GLY 42 19.655 0.153 -2.119 291 HA2 GLY 42 1HA GLY 42 21.652 -0.773 -1.395 292 HA3 GLY 42 2HA GLY 42 20.736 -1.835 -0.335 293 HA PRO 43 HA PRO 43 22.520 -4.498 -3.636 294 HB2 PRO 43 1HB PRO 43 23.077 -6.564 -1.966 295 HB3 PRO 43 2HB PRO 43 24.173 -5.198 -2.203 296 HG2 PRO 43 1HG PRO 43 22.223 -5.699 0.012 297 HG3 PRO 43 2HG PRO 43 23.887 -5.092 0.102 298 HD2 PRO 43 1HD PRO 43 21.731 -3.460 0.249 299 HD3 PRO 43 2HD PRO 43 23.269 -2.947 -0.473 300 H SER 44 H SER 44 21.614 -6.298 -4.631 301 HA SER 44 HA SER 44 18.887 -6.906 -3.803 302 HB2 SER 44 1HB SER 44 18.626 -7.892 -6.011 303 HB3 SER 44 2HB SER 44 19.372 -6.302 -6.168 304 HG SER 44 HG SER 44 21.058 -8.511 -5.922 305 H SER 45 H SER 45 18.607 -8.526 -2.426 306 HA SER 45 HA SER 45 20.272 -10.938 -2.745 307 HB2 SER 45 1HB SER 45 19.101 -9.771 -0.209 308 HB3 SER 45 2HB SER 45 19.928 -11.325 -0.308 309 HG SER 45 HG SER 45 21.061 -9.080 0.169 310 H GLY 46 H GLY 46 19.264 -12.970 -2.340 311 HA2 GLY 46 1HA GLY 46 17.571 -14.489 -2.661 312 HA3 GLY 46 2HA GLY 46 16.624 -13.420 -1.636 Start of MODEL 15 1 H1 GLY 1 H GLY 1 11.509 -29.779 -0.894 2 HA2 GLY 1 1HA GLY 1 9.366 -29.464 0.816 3 HA3 GLY 1 2HA GLY 1 10.053 -27.857 0.630 4 H SER 2 H SER 2 8.086 -27.186 -0.359 5 HA SER 2 HA SER 2 8.141 -27.257 -3.175 6 HB2 SER 2 1HB SER 2 6.200 -28.563 -3.703 7 HB3 SER 2 2HB SER 2 7.241 -29.567 -2.694 8 HG SER 2 HG SER 2 5.456 -29.790 -1.585 9 H SER 3 H SER 3 7.026 -25.564 -3.984 10 HA SER 3 HA SER 3 6.070 -23.554 -2.331 11 HB2 SER 3 1HB SER 3 5.718 -24.135 -5.257 12 HB3 SER 3 2HB SER 3 4.886 -22.767 -4.517 13 HG SER 3 HG SER 3 7.017 -22.118 -3.746 14 H GLY 4 H GLY 4 3.823 -22.615 -2.382 15 HA2 GLY 4 1HA GLY 4 1.438 -23.385 -2.895 16 HA3 GLY 4 2HA GLY 4 1.889 -24.799 -1.955 17 H SER 5 H SER 5 3.264 -23.718 0.140 18 HA SER 5 HA SER 5 1.122 -22.285 1.537 19 HB2 SER 5 1HB SER 5 3.339 -24.097 2.415 20 HB3 SER 5 2HB SER 5 2.669 -22.940 3.565 21 HG SER 5 HG SER 5 1.052 -24.243 3.794 22 H SER 6 H SER 6 2.624 -20.743 -0.210 23 HA SER 6 HA SER 6 4.093 -19.022 1.672 24 HB2 SER 6 1HB SER 6 4.878 -19.817 -1.131 25 HB3 SER 6 2HB SER 6 5.537 -18.383 -0.343 26 HG SER 6 HG SER 6 6.177 -20.996 0.013 27 H GLY 7 H GLY 7 3.886 -16.797 1.367 28 HA2 GLY 7 1HA GLY 7 2.564 -14.941 0.978 29 HA3 GLY 7 2HA GLY 7 2.885 -15.358 -0.699 30 H THR 8 H THR 8 0.690 -16.074 1.996 31 HA THR 8 HA THR 8 -1.309 -17.263 0.355 32 HB THR 8 HB THR 8 -2.782 -17.047 2.332 33 HG1 THR 8 HG1 THR 8 -2.267 -15.743 3.933 34 HG21 THR 8 3HG2 THR 8 -0.331 -18.492 2.152 35 HG22 THR 8 1HG2 THR 8 -1.822 -18.950 2.974 36 HG23 THR 8 2HG2 THR 8 -0.588 -18.030 3.834 37 H GLY 9 H GLY 9 -0.948 -14.041 1.818 38 HA2 GLY 9 1HA GLY 9 -1.993 -12.047 1.369 39 HA3 GLY 9 2HA GLY 9 -2.081 -12.628 -0.287 40 H GLU 10 H GLU 10 -3.778 -12.300 2.740 41 HA GLU 10 HA GLU 10 -6.230 -13.357 1.530 42 HB2 GLU 10 1HB GLU 10 -5.371 -14.031 3.873 43 HB3 GLU 10 2HB GLU 10 -5.955 -12.454 4.384 44 HG2 GLU 10 1HG GLU 10 -7.791 -13.695 4.850 45 HG3 GLU 10 2HG GLU 10 -8.156 -13.269 3.179 46 H LYS 11 H LYS 11 -5.354 -10.949 0.483 47 HA LYS 11 HA LYS 11 -7.648 -9.339 0.747 48 HB2 LYS 11 1HB LYS 11 -6.170 -8.888 2.895 49 HB3 LYS 11 2HB LYS 11 -5.276 -7.853 1.789 50 HG2 LYS 11 1HG LYS 11 -7.013 -6.377 1.544 51 HG3 LYS 11 2HG LYS 11 -8.238 -7.586 1.937 52 HD2 LYS 11 1HD LYS 11 -6.257 -6.666 3.992 53 HD3 LYS 11 2HD LYS 11 -7.723 -5.740 3.665 54 HE2 LYS 11 1HE LYS 11 -9.095 -7.656 4.210 55 HE3 LYS 11 2HE LYS 11 -7.661 -8.658 4.425 56 HZ1 LYS 11 3HZ LYS 11 -7.460 -6.365 6.049 57 HZ2 LYS 11 1HZ LYS 11 -7.517 -7.990 6.516 58 HZ3 LYS 11 2HZ LYS 11 -8.951 -7.111 6.336 59 HA PRO 12 HA PRO 12 -6.010 -8.217 -3.201 60 HB2 PRO 12 1HB PRO 12 -7.814 -6.281 -3.805 61 HB3 PRO 12 2HB PRO 12 -8.198 -8.005 -3.868 62 HG2 PRO 12 1HG PRO 12 -8.797 -6.008 -1.720 63 HG3 PRO 12 2HG PRO 12 -9.838 -7.278 -2.388 64 HD2 PRO 12 1HD PRO 12 -8.528 -7.557 -0.035 65 HD3 PRO 12 2HD PRO 12 -8.857 -8.929 -1.113 66 H TYR 13 H TYR 13 -6.322 -6.054 -0.524 67 HA TYR 13 HA TYR 13 -4.724 -4.005 -1.890 68 HB2 TYR 13 1HB TYR 13 -6.241 -3.885 0.725 69 HB3 TYR 13 2HB TYR 13 -5.324 -2.554 0.027 70 HD1 TYR 13 HD2 TYR 13 -8.330 -4.647 -0.334 71 HD2 TYR 13 HD1 TYR 13 -6.203 -1.266 -1.798 72 HE1 TYR 13 HE2 TYR 13 -10.320 -3.951 -1.600 73 HE2 TYR 13 HE1 TYR 13 -8.187 -0.559 -3.067 74 HH TYR 13 HH TYR 13 -10.274 -1.045 -3.644 75 H LYS 14 H LYS 14 -2.633 -4.610 -1.766 76 HA LYS 14 HA LYS 14 -1.501 -4.923 0.925 77 HB2 LYS 14 1HB LYS 14 -1.803 -7.112 -0.510 78 HB3 LYS 14 2HB LYS 14 -0.363 -6.524 -1.332 79 HG2 LYS 14 1HG LYS 14 0.962 -6.745 0.557 80 HG3 LYS 14 2HG LYS 14 -0.424 -6.750 1.650 81 HD2 LYS 14 1HD LYS 14 0.223 -8.979 1.631 82 HD3 LYS 14 2HD LYS 14 -1.072 -8.940 0.431 83 HE2 LYS 14 1HE LYS 14 1.764 -8.523 -0.417 84 HE3 LYS 14 2HE LYS 14 1.173 -10.154 -0.104 85 HZ1 LYS 14 3HZ LYS 14 0.573 -10.040 -2.251 86 HZ2 LYS 14 1HZ LYS 14 0.555 -8.348 -2.285 87 HZ3 LYS 14 2HZ LYS 14 -0.768 -9.195 -1.659 88 H CYS 15 H CYS 15 0.738 -4.342 1.098 89 HA CYS 15 HA CYS 15 1.426 -2.149 -0.652 90 HB2 CYS 15 1HB CYS 15 1.730 -2.025 1.815 91 HB3 CYS 15 2HB CYS 15 2.963 -3.277 1.697 92 H ASN 16 H ASN 16 2.529 -2.414 -2.467 93 HA ASN 16 HA ASN 16 4.004 -4.845 -2.971 94 HB2 ASN 16 1HB ASN 16 3.449 -2.394 -4.647 95 HB3 ASN 16 2HB ASN 16 4.431 -3.743 -5.212 96 HD21 ASN 16 1HD2 ASN 16 1.501 -2.463 -5.467 97 HD22 ASN 16 2HD2 ASN 16 0.547 -3.881 -5.723 98 H GLU 17 H GLU 17 5.092 -3.335 -0.858 99 HA GLU 17 HA GLU 17 7.724 -2.706 -1.997 100 HB2 GLU 17 1HB GLU 17 6.212 -1.058 0.032 101 HB3 GLU 17 2HB GLU 17 7.930 -0.869 -0.288 102 HG2 GLU 17 1HG GLU 17 5.944 -0.677 -2.512 103 HG3 GLU 17 2HG GLU 17 6.246 0.698 -1.451 104 H CYS 18 H CYS 18 5.857 -3.462 0.917 105 HA CYS 18 HA CYS 18 8.234 -4.845 1.979 106 HB2 CYS 18 1HB CYS 18 7.311 -4.394 4.248 107 HB3 CYS 18 2HB CYS 18 7.747 -2.931 3.372 108 H GLY 19 H GLY 19 4.688 -4.831 1.850 109 HA2 GLY 19 1HA GLY 19 3.631 -6.952 1.182 110 HA3 GLY 19 2HA GLY 19 4.774 -7.759 2.245 111 H LYS 20 H LYS 20 2.504 -5.023 2.555 112 HA LYS 20 HA LYS 20 1.374 -6.368 4.919 113 HB2 LYS 20 1HB LYS 20 2.901 -4.255 5.251 114 HB3 LYS 20 2HB LYS 20 1.462 -3.381 4.744 115 HG2 LYS 20 1HG LYS 20 0.202 -4.475 6.567 116 HG3 LYS 20 2HG LYS 20 1.701 -5.237 7.103 117 HD2 LYS 20 1HD LYS 20 1.687 -2.286 6.742 118 HD3 LYS 20 2HD LYS 20 0.839 -2.954 8.139 119 HE2 LYS 20 1HE LYS 20 2.910 -2.709 9.053 120 HE3 LYS 20 2HE LYS 20 3.091 -4.328 8.379 121 HZ1 LYS 20 3HZ LYS 20 3.948 -3.079 6.320 122 HZ2 LYS 20 1HZ LYS 20 4.977 -3.239 7.654 123 HZ3 LYS 20 2HZ LYS 20 4.173 -1.777 7.376 124 H VAL 21 H VAL 21 -0.776 -6.589 4.925 125 HA VAL 21 HA VAL 21 -2.284 -5.408 2.718 126 HB VAL 21 HB VAL 21 -4.079 -6.977 3.372 127 HG11 VAL 21 1HG1 VAL 21 -1.337 -8.108 2.864 128 HG12 VAL 21 2HG1 VAL 21 -2.807 -9.082 2.808 129 HG13 VAL 21 3HG1 VAL 21 -2.597 -7.737 1.687 130 HG21 VAL 21 3HG2 VAL 21 -2.271 -8.465 5.181 131 HG22 VAL 21 1HG2 VAL 21 -3.008 -6.997 5.823 132 HG23 VAL 21 2HG2 VAL 21 -4.027 -8.301 5.214 133 H PHE 22 H PHE 22 -4.340 -4.406 3.068 134 HA PHE 22 HA PHE 22 -4.842 -3.433 5.786 135 HB2 PHE 22 1HB PHE 22 -4.750 -1.632 3.357 136 HB3 PHE 22 2HB PHE 22 -5.133 -1.142 5.004 137 HD1 PHE 22 HD2 PHE 22 -2.462 -2.263 2.747 138 HD2 PHE 22 HD1 PHE 22 -3.418 -0.791 6.624 139 HE1 PHE 22 HE2 PHE 22 -0.078 -1.824 3.164 140 HE2 PHE 22 HE1 PHE 22 -1.035 -0.348 7.047 141 HZ PHE 22 HZ PHE 22 0.639 -0.865 5.316 142 H THR 23 H THR 23 -6.962 -3.216 6.302 143 HA THR 23 HA THR 23 -8.896 -4.502 4.698 144 HB THR 23 HB THR 23 -9.148 -4.480 7.104 145 HG1 THR 23 HG1 THR 23 -11.165 -3.089 5.662 146 HG21 THR 23 3HG2 THR 23 -8.251 -2.487 7.887 147 HG22 THR 23 1HG2 THR 23 -9.981 -2.232 8.111 148 HG23 THR 23 2HG2 THR 23 -9.154 -1.508 6.731 149 H GLN 24 H GLN 24 -7.956 -1.159 5.064 150 HA GLN 24 HA GLN 24 -10.087 -0.379 3.186 151 HB2 GLN 24 1HB GLN 24 -8.611 1.283 5.234 152 HB3 GLN 24 2HB GLN 24 -9.743 1.935 4.057 153 HG2 GLN 24 1HG GLN 24 -10.484 -0.171 6.068 154 HG3 GLN 24 2HG GLN 24 -10.660 1.559 6.357 155 HE21 GLN 24 1HE2 GLN 24 -11.908 -1.214 4.754 156 HE22 GLN 24 2HE2 GLN 24 -13.319 -0.468 4.092 157 H ASN 25 H ASN 25 -9.578 0.829 1.380 158 HA ASN 25 HA ASN 25 -7.026 0.419 0.247 159 HB2 ASN 25 1HB ASN 25 -8.690 0.610 -1.355 160 HB3 ASN 25 2HB ASN 25 -9.464 1.966 -0.540 161 HD21 ASN 25 1HD2 ASN 25 -8.753 4.032 -0.919 162 HD22 ASN 25 2HD2 ASN 25 -7.639 4.426 -2.180 163 H SER 26 H SER 26 -8.612 3.404 1.379 164 HA SER 26 HA SER 26 -6.655 5.242 0.892 165 HB2 SER 26 1HB SER 26 -7.507 6.486 2.875 166 HB3 SER 26 2HB SER 26 -8.799 5.885 1.837 167 HG SER 26 HG SER 26 -8.281 5.324 4.433 168 H HIS 27 H HIS 27 -6.884 3.125 3.735 169 HA HIS 27 HA HIS 27 -4.725 4.032 5.188 170 HB2 HIS 27 1HB HIS 27 -5.793 1.229 4.845 171 HB3 HIS 27 2HB HIS 27 -4.539 1.640 6.011 172 HD1 HIS 27 HD1 HIS 27 -7.228 0.516 6.962 173 HD2 HIS 27 HD2 HIS 27 -6.389 4.572 6.644 174 HE1 HIS 27 HE1 HIS 27 -8.827 1.658 8.531 175 H LEU 28 H LEU 28 -4.718 1.583 2.610 176 HA LEU 28 HA LEU 28 -1.960 1.042 2.691 177 HB2 LEU 28 1HB LEU 28 -3.312 -0.515 1.577 178 HB3 LEU 28 2HB LEU 28 -4.065 0.726 0.578 179 HG LEU 28 HG LEU 28 -1.824 1.002 -0.555 180 HD11 LEU 28 1HD1 LEU 28 -0.188 -0.719 -0.339 181 HD12 LEU 28 2HD1 LEU 28 -1.222 -1.645 0.748 182 HD13 LEU 28 3HD1 LEU 28 -0.539 -0.108 1.278 183 HD21 LEU 28 3HD2 LEU 28 -3.663 -0.189 -1.605 184 HD22 LEU 28 1HD2 LEU 28 -3.217 -1.667 -0.753 185 HD23 LEU 28 2HD2 LEU 28 -2.130 -0.986 -1.964 186 H VAL 29 H VAL 29 -3.806 3.110 0.446 187 HA VAL 29 HA VAL 29 -1.783 4.119 -1.087 188 HB VAL 29 HB VAL 29 -4.129 5.691 -0.014 189 HG11 VAL 29 1HG1 VAL 29 -3.526 6.594 -2.558 190 HG12 VAL 29 2HG1 VAL 29 -3.168 7.421 -1.041 191 HG13 VAL 29 3HG1 VAL 29 -1.949 6.393 -1.796 192 HG21 VAL 29 3HG2 VAL 29 -4.238 4.689 -2.756 193 HG22 VAL 29 1HG2 VAL 29 -4.200 3.415 -1.536 194 HG23 VAL 29 2HG2 VAL 29 -5.460 4.648 -1.484 195 H ARG 30 H ARG 30 -2.770 5.228 2.128 196 HA ARG 30 HA ARG 30 -0.806 7.326 2.199 197 HB2 ARG 30 1HB ARG 30 -2.868 6.249 4.053 198 HB3 ARG 30 2HB ARG 30 -1.519 7.123 4.767 199 HG2 ARG 30 1HG ARG 30 -3.309 8.658 4.418 200 HG3 ARG 30 2HG ARG 30 -2.033 9.029 3.256 201 HD2 ARG 30 1HD ARG 30 -3.252 8.239 1.466 202 HD3 ARG 30 2HD ARG 30 -4.235 7.175 2.471 203 HE ARG 30 HE ARG 30 -5.024 9.577 3.319 204 HH11 ARG 30 1HH1 ARG 30 -4.575 8.321 0.104 205 HH12 ARG 30 2HH1 ARG 30 -5.805 9.317 -0.599 206 HH21 ARG 30 1HH2 ARG 30 -6.647 10.895 2.406 207 HH22 ARG 30 2HH2 ARG 30 -6.983 10.782 0.712 208 H HIS 31 H HIS 31 -1.101 4.054 3.478 209 HA HIS 31 HA HIS 31 0.946 3.902 5.270 210 HB2 HIS 31 1HB HIS 31 -0.278 1.932 4.985 211 HB3 HIS 31 2HB HIS 31 -0.064 1.937 3.237 212 HD1 HIS 31 HD1 HIS 31 1.850 1.209 6.412 213 HD2 HIS 31 HD2 HIS 31 2.095 0.511 2.324 214 HE1 HIS 31 HE1 HIS 31 3.750 -0.412 6.120 215 H ARG 32 H ARG 32 1.276 3.435 1.751 216 HA ARG 32 HA ARG 32 3.891 2.908 1.438 217 HB2 ARG 32 1HB ARG 32 2.136 4.796 -0.113 218 HB3 ARG 32 2HB ARG 32 3.800 4.494 -0.595 219 HG2 ARG 32 1HG ARG 32 3.367 2.366 -1.277 220 HG3 ARG 32 2HG ARG 32 2.050 2.147 -0.123 221 HD2 ARG 32 1HD ARG 32 1.178 2.238 -2.383 222 HD3 ARG 32 2HD ARG 32 0.645 3.648 -1.468 223 HE ARG 32 HE ARG 32 3.036 4.029 -3.053 224 HH11 ARG 32 1HH1 ARG 32 -0.433 4.280 -2.899 225 HH12 ARG 32 2HH1 ARG 32 -0.534 5.458 -4.166 226 HH21 ARG 32 1HH2 ARG 32 2.915 5.579 -4.722 227 HH22 ARG 32 2HH2 ARG 32 1.371 6.195 -5.203 228 H GLY 33 H GLY 33 2.559 5.906 2.610 229 HA2 GLY 33 1HA GLY 33 4.483 7.774 2.246 230 HA3 GLY 33 2HA GLY 33 3.621 7.603 3.768 231 H ILE 34 H ILE 34 4.731 4.971 4.342 232 HA ILE 34 HA ILE 34 7.235 5.870 5.489 233 HB ILE 34 HB ILE 34 7.232 3.821 6.751 234 HG12 ILE 34 1HG1 ILE 34 4.707 2.913 5.407 235 HG13 ILE 34 2HG1 ILE 34 6.270 2.522 4.699 236 HG21 ILE 34 1HG2 ILE 34 5.044 5.671 6.732 237 HG22 ILE 34 2HG2 ILE 34 4.483 4.083 7.253 238 HG23 ILE 34 3HG2 ILE 34 5.815 4.869 8.100 239 HD11 ILE 34 3HD1 ILE 34 6.682 1.752 7.247 240 HD12 ILE 34 1HD1 ILE 34 4.953 1.448 7.090 241 HD13 ILE 34 2HD1 ILE 34 6.087 0.689 5.972 242 H HIS 35 H HIS 35 6.972 5.386 2.562 243 HA HIS 35 HA HIS 35 9.263 3.566 2.309 244 HB2 HIS 35 1HB HIS 35 6.716 3.523 0.703 245 HB3 HIS 35 2HB HIS 35 8.219 2.862 0.065 246 HD1 HIS 35 HD1 HIS 35 9.274 0.848 1.508 247 HD2 HIS 35 HD2 HIS 35 5.326 1.839 2.339 248 HE1 HIS 35 HE1 HIS 35 8.337 -1.120 2.760 249 H THR 36 H THR 36 7.263 5.969 0.609 250 HA THR 36 HA THR 36 9.495 6.742 -1.072 251 HB THR 36 HB THR 36 7.279 6.700 -2.076 252 HG1 THR 36 HG1 THR 36 7.734 9.449 -1.948 253 HG21 THR 36 3HG2 THR 36 6.585 8.821 -0.041 254 HG22 THR 36 1HG2 THR 36 5.926 7.188 -0.116 255 HG23 THR 36 2HG2 THR 36 5.566 8.343 -1.399 256 H GLY 37 H GLY 37 7.579 8.125 1.567 257 HA2 GLY 37 1HA GLY 37 7.978 9.901 2.965 258 HA3 GLY 37 2HA GLY 37 9.683 9.610 2.648 259 H GLU 38 H GLU 38 10.767 11.214 1.727 260 HA GLU 38 HA GLU 38 9.387 13.559 0.817 261 HB2 GLU 38 1HB GLU 38 12.299 12.800 0.975 262 HB3 GLU 38 2HB GLU 38 11.765 14.322 0.276 263 HG2 GLU 38 1HG GLU 38 12.491 14.326 2.714 264 HG3 GLU 38 2HG GLU 38 10.971 15.122 2.312 265 H LYS 39 H LYS 39 9.052 14.263 -1.223 266 HA LYS 39 HA LYS 39 10.090 12.607 -3.426 267 HB2 LYS 39 1HB LYS 39 7.998 12.797 -4.591 268 HB3 LYS 39 2HB LYS 39 7.670 12.192 -2.973 269 HG2 LYS 39 1HG LYS 39 7.501 15.121 -3.496 270 HG3 LYS 39 2HG LYS 39 6.187 14.064 -4.018 271 HD2 LYS 39 1HD LYS 39 7.211 13.787 -1.236 272 HD3 LYS 39 2HD LYS 39 6.194 15.177 -1.622 273 HE2 LYS 39 1HE LYS 39 5.334 12.441 -2.454 274 HE3 LYS 39 2HE LYS 39 5.126 12.943 -0.776 275 HZ1 LYS 39 3HZ LYS 39 3.463 14.317 -1.315 276 HZ2 LYS 39 1HZ LYS 39 3.360 13.417 -2.744 277 HZ3 LYS 39 2HZ LYS 39 4.220 14.873 -2.723 278 HA PRO 40 HA PRO 40 11.623 16.375 -5.109 279 HB2 PRO 40 1HB PRO 40 11.828 15.632 -7.712 280 HB3 PRO 40 2HB PRO 40 12.938 15.062 -6.460 281 HG2 PRO 40 1HG PRO 40 10.564 13.686 -7.657 282 HG3 PRO 40 2HG PRO 40 12.164 13.026 -7.274 283 HD2 PRO 40 1HD PRO 40 10.012 12.648 -5.674 284 HD3 PRO 40 2HD PRO 40 11.665 12.774 -5.038 285 H SER 41 H SER 41 11.075 18.097 -6.569 286 HA SER 41 HA SER 41 8.488 18.928 -6.583 287 HB2 SER 41 1HB SER 41 10.835 19.571 -8.304 288 HB3 SER 41 2HB SER 41 9.257 20.172 -8.813 289 HG SER 41 HG SER 41 10.804 21.305 -7.104 290 H GLY 42 H GLY 42 10.090 17.068 -9.149 291 HA2 GLY 42 1HA GLY 42 8.823 15.312 -10.255 292 HA3 GLY 42 2HA GLY 42 7.407 16.347 -10.147 293 HA PRO 43 HA PRO 43 10.069 16.995 -14.121 294 HB2 PRO 43 1HB PRO 43 9.107 15.055 -15.758 295 HB3 PRO 43 2HB PRO 43 10.536 14.833 -14.742 296 HG2 PRO 43 1HG PRO 43 7.716 13.948 -14.265 297 HG3 PRO 43 2HG PRO 43 9.227 13.061 -13.995 298 HD2 PRO 43 1HD PRO 43 7.870 14.272 -11.989 299 HD3 PRO 43 2HD PRO 43 9.639 14.123 -11.991 300 H SER 44 H SER 44 6.966 16.986 -13.022 301 HA SER 44 HA SER 44 5.898 18.101 -15.532 302 HB2 SER 44 1HB SER 44 4.813 16.017 -14.365 303 HB3 SER 44 2HB SER 44 4.127 17.224 -13.277 304 HG SER 44 HG SER 44 2.657 17.200 -14.830 305 H SER 45 H SER 45 4.871 20.076 -15.507 306 HA SER 45 HA SER 45 5.476 21.752 -13.196 307 HB2 SER 45 1HB SER 45 4.866 23.631 -14.728 308 HB3 SER 45 2HB SER 45 6.179 22.627 -15.341 309 HG SER 45 HG SER 45 4.654 23.035 -16.969 310 H GLY 46 H GLY 46 3.948 21.578 -11.657 311 HA2 GLY 46 1HA GLY 46 1.410 22.751 -12.037 312 HA3 GLY 46 2HA GLY 46 1.240 21.002 -12.052 Start of MODEL 16 1 H1 GLY 1 H GLY 1 16.722 -31.295 -1.322 2 HA2 GLY 1 1HA GLY 1 14.760 -29.517 -0.137 3 HA3 GLY 1 2HA GLY 1 15.454 -29.385 -1.746 4 H SER 2 H SER 2 12.621 -29.555 -0.419 5 HA SER 2 HA SER 2 11.530 -31.588 -2.247 6 HB2 SER 2 1HB SER 2 10.989 -31.947 0.130 7 HB3 SER 2 2HB SER 2 10.254 -30.346 0.204 8 HG SER 2 HG SER 2 8.654 -31.025 -1.170 9 H SER 3 H SER 3 10.658 -28.414 -0.870 10 HA SER 3 HA SER 3 10.161 -27.235 -3.394 11 HB2 SER 3 1HB SER 3 7.749 -27.056 -3.352 12 HB3 SER 3 2HB SER 3 8.185 -28.762 -3.256 13 HG SER 3 HG SER 3 6.638 -27.466 -1.619 14 H GLY 4 H GLY 4 8.741 -25.135 -3.023 15 HA2 GLY 4 1HA GLY 4 8.578 -23.952 -0.494 16 HA3 GLY 4 2HA GLY 4 10.153 -23.553 -1.163 17 H SER 5 H SER 5 6.924 -22.666 -0.997 18 HA SER 5 HA SER 5 7.362 -20.470 -2.821 19 HB2 SER 5 1HB SER 5 5.095 -22.408 -3.346 20 HB3 SER 5 2HB SER 5 5.417 -20.917 -4.229 21 HG SER 5 HG SER 5 6.298 -23.231 -4.875 22 H SER 6 H SER 6 6.028 -18.723 -2.424 23 HA SER 6 HA SER 6 4.406 -18.945 0.011 24 HB2 SER 6 1HB SER 6 4.629 -16.479 0.134 25 HB3 SER 6 2HB SER 6 6.195 -17.289 0.109 26 HG SER 6 HG SER 6 5.207 -15.471 -1.602 27 H GLY 7 H GLY 7 2.266 -18.505 0.039 28 HA2 GLY 7 1HA GLY 7 1.011 -17.171 -2.223 29 HA3 GLY 7 2HA GLY 7 0.567 -18.855 -1.986 30 H THR 8 H THR 8 1.076 -16.095 0.213 31 HA THR 8 HA THR 8 -1.559 -16.692 1.391 32 HB THR 8 HB THR 8 -0.738 -15.635 3.462 33 HG1 THR 8 HG1 THR 8 1.453 -15.073 3.615 34 HG21 THR 8 3HG2 THR 8 -0.160 -18.151 2.532 35 HG22 THR 8 1HG2 THR 8 0.079 -17.596 4.188 36 HG23 THR 8 2HG2 THR 8 1.421 -17.563 3.045 37 H GLY 9 H GLY 9 -3.029 -15.065 1.681 38 HA2 GLY 9 1HA GLY 9 -2.551 -12.327 1.676 39 HA3 GLY 9 2HA GLY 9 -2.825 -12.788 0.002 40 H GLU 10 H GLU 10 -4.250 -12.452 3.164 41 HA GLU 10 HA GLU 10 -6.871 -13.280 2.206 42 HB2 GLU 10 1HB GLU 10 -5.888 -12.361 4.909 43 HB3 GLU 10 2HB GLU 10 -7.569 -12.746 4.568 44 HG2 GLU 10 1HG GLU 10 -7.178 -14.988 4.426 45 HG3 GLU 10 2HG GLU 10 -5.504 -14.777 3.916 46 H LYS 11 H LYS 11 -5.810 -11.037 0.892 47 HA LYS 11 HA LYS 11 -7.969 -9.222 1.128 48 HB2 LYS 11 1HB LYS 11 -6.254 -8.695 3.084 49 HB3 LYS 11 2HB LYS 11 -5.407 -7.847 1.796 50 HG2 LYS 11 1HG LYS 11 -7.009 -6.243 1.605 51 HG3 LYS 11 2HG LYS 11 -8.308 -7.320 2.124 52 HD2 LYS 11 1HD LYS 11 -6.155 -6.404 4.010 53 HD3 LYS 11 2HD LYS 11 -7.611 -5.448 3.724 54 HE2 LYS 11 1HE LYS 11 -7.788 -8.345 4.475 55 HE3 LYS 11 2HE LYS 11 -7.573 -7.102 5.707 56 HZ1 LYS 11 3HZ LYS 11 -9.662 -6.492 3.833 57 HZ2 LYS 11 1HZ LYS 11 -9.687 -6.469 5.525 58 HZ3 LYS 11 2HZ LYS 11 -9.949 -7.920 4.695 59 HA PRO 12 HA PRO 12 -6.588 -8.700 -3.039 60 HB2 PRO 12 1HB PRO 12 -8.307 -6.717 -3.736 61 HB3 PRO 12 2HB PRO 12 -8.805 -8.404 -3.565 62 HG2 PRO 12 1HG PRO 12 -9.097 -6.139 -1.631 63 HG3 PRO 12 2HG PRO 12 -10.269 -7.396 -2.066 64 HD2 PRO 12 1HD PRO 12 -8.793 -7.503 0.201 65 HD3 PRO 12 2HD PRO 12 -9.297 -8.959 -0.680 66 H TYR 13 H TYR 13 -6.024 -6.618 -0.525 67 HA TYR 13 HA TYR 13 -4.574 -4.734 -2.266 68 HB2 TYR 13 1HB TYR 13 -6.105 -4.248 0.276 69 HB3 TYR 13 2HB TYR 13 -4.823 -3.153 -0.230 70 HD1 TYR 13 HD2 TYR 13 -7.579 -4.911 -2.051 71 HD2 TYR 13 HD1 TYR 13 -5.709 -1.211 -1.095 72 HE1 TYR 13 HE2 TYR 13 -9.169 -3.736 -3.515 73 HE2 TYR 13 HE1 TYR 13 -7.294 -0.025 -2.555 74 HH TYR 13 HH TYR 13 -8.951 -0.231 -4.026 75 H LYS 14 H LYS 14 -2.448 -4.869 -2.087 76 HA LYS 14 HA LYS 14 -1.239 -5.409 0.517 77 HB2 LYS 14 1HB LYS 14 -1.434 -7.604 -0.571 78 HB3 LYS 14 2HB LYS 14 -0.577 -6.987 -1.978 79 HG2 LYS 14 1HG LYS 14 1.151 -8.001 -0.922 80 HG3 LYS 14 2HG LYS 14 1.253 -6.417 -0.149 81 HD2 LYS 14 1HD LYS 14 0.293 -7.182 1.827 82 HD3 LYS 14 2HD LYS 14 -0.431 -8.589 1.043 83 HE2 LYS 14 1HE LYS 14 1.853 -9.501 0.699 84 HE3 LYS 14 2HE LYS 14 2.496 -8.140 1.617 85 HZ1 LYS 14 3HZ LYS 14 1.146 -10.521 2.550 86 HZ2 LYS 14 1HZ LYS 14 0.634 -9.088 3.290 87 HZ3 LYS 14 2HZ LYS 14 2.266 -9.530 3.341 88 H CYS 15 H CYS 15 0.878 -4.635 0.741 89 HA CYS 15 HA CYS 15 1.541 -2.487 -1.084 90 HB2 CYS 15 1HB CYS 15 1.686 -2.095 1.326 91 HB3 CYS 15 2HB CYS 15 2.867 -3.392 1.480 92 H ASN 16 H ASN 16 3.241 -2.406 -2.461 93 HA ASN 16 HA ASN 16 4.611 -4.915 -3.001 94 HB2 ASN 16 1HB ASN 16 3.565 -3.545 -4.830 95 HB3 ASN 16 2HB ASN 16 4.791 -2.315 -4.533 96 HD21 ASN 16 1HD2 ASN 16 5.556 -2.552 -6.649 97 HD22 ASN 16 2HD2 ASN 16 6.526 -3.905 -7.113 98 H GLU 17 H GLU 17 5.205 -1.907 -1.475 99 HA GLU 17 HA GLU 17 8.010 -1.753 -1.835 100 HB2 GLU 17 1HB GLU 17 6.319 -0.652 0.417 101 HB3 GLU 17 2HB GLU 17 7.966 -0.168 0.036 102 HG2 GLU 17 1HG GLU 17 5.735 0.101 -1.947 103 HG3 GLU 17 2HG GLU 17 6.082 1.346 -0.749 104 H CYS 18 H CYS 18 6.113 -2.764 1.015 105 HA CYS 18 HA CYS 18 8.419 -4.401 1.844 106 HB2 CYS 18 1HB CYS 18 7.512 -4.185 4.158 107 HB3 CYS 18 2HB CYS 18 8.013 -2.651 3.454 108 H GLY 19 H GLY 19 4.861 -4.251 1.932 109 HA2 GLY 19 1HA GLY 19 3.714 -6.238 0.986 110 HA3 GLY 19 2HA GLY 19 4.856 -7.207 1.906 111 H LYS 20 H LYS 20 2.070 -5.088 2.107 112 HA LYS 20 HA LYS 20 1.235 -6.445 4.534 113 HB2 LYS 20 1HB LYS 20 1.999 -3.556 4.425 114 HB3 LYS 20 2HB LYS 20 0.666 -4.045 5.462 115 HG2 LYS 20 1HG LYS 20 2.072 -5.464 6.744 116 HG3 LYS 20 2HG LYS 20 3.398 -5.293 5.592 117 HD2 LYS 20 1HD LYS 20 3.909 -3.896 7.445 118 HD3 LYS 20 2HD LYS 20 3.403 -2.833 6.129 119 HE2 LYS 20 1HE LYS 20 2.201 -1.948 7.867 120 HE3 LYS 20 2HE LYS 20 1.040 -3.118 7.240 121 HZ1 LYS 20 3HZ LYS 20 2.910 -3.958 9.342 122 HZ2 LYS 20 1HZ LYS 20 1.346 -4.510 9.011 123 HZ3 LYS 20 2HZ LYS 20 1.571 -3.016 9.770 124 H VAL 21 H VAL 21 -0.964 -6.512 4.784 125 HA VAL 21 HA VAL 21 -2.525 -5.441 2.547 126 HB VAL 21 HB VAL 21 -4.289 -6.998 3.260 127 HG11 VAL 21 1HG1 VAL 21 -2.686 -9.137 3.043 128 HG12 VAL 21 2HG1 VAL 21 -3.097 -8.096 1.679 129 HG13 VAL 21 3HG1 VAL 21 -1.565 -7.878 2.526 130 HG21 VAL 21 3HG2 VAL 21 -3.926 -7.076 5.627 131 HG22 VAL 21 1HG2 VAL 21 -3.728 -8.708 4.988 132 HG23 VAL 21 2HG2 VAL 21 -2.310 -7.748 5.408 133 H PHE 22 H PHE 22 -4.542 -4.394 2.906 134 HA PHE 22 HA PHE 22 -5.077 -3.429 5.609 135 HB2 PHE 22 1HB PHE 22 -4.744 -1.562 3.251 136 HB3 PHE 22 2HB PHE 22 -5.206 -1.098 4.885 137 HD1 PHE 22 HD2 PHE 22 -2.460 -2.258 2.752 138 HD2 PHE 22 HD1 PHE 22 -3.583 -0.933 6.638 139 HE1 PHE 22 HE2 PHE 22 -0.088 -1.965 3.334 140 HE2 PHE 22 HE1 PHE 22 -1.212 -0.636 7.225 141 HZ PHE 22 HZ PHE 22 0.539 -1.153 5.573 142 H THR 23 H THR 23 -7.207 -3.028 6.017 143 HA THR 23 HA THR 23 -9.121 -4.140 4.229 144 HB THR 23 HB THR 23 -9.445 -4.285 6.643 145 HG1 THR 23 HG1 THR 23 -11.659 -3.426 6.643 146 HG21 THR 23 3HG2 THR 23 -10.129 -2.277 7.920 147 HG22 THR 23 1HG2 THR 23 -9.742 -1.282 6.517 148 HG23 THR 23 2HG2 THR 23 -8.466 -2.181 7.340 149 H GLN 24 H GLN 24 -8.282 -0.840 5.185 150 HA GLN 24 HA GLN 24 -10.212 0.203 3.238 151 HB2 GLN 24 1HB GLN 24 -8.765 1.453 5.562 152 HB3 GLN 24 2HB GLN 24 -9.565 2.432 4.340 153 HG2 GLN 24 1HG GLN 24 -11.630 0.970 4.866 154 HG3 GLN 24 2HG GLN 24 -10.759 0.569 6.345 155 HE21 GLN 24 1HE2 GLN 24 -13.254 2.094 5.855 156 HE22 GLN 24 2HE2 GLN 24 -13.014 3.616 6.637 157 H ASN 25 H ASN 25 -9.525 0.816 1.305 158 HA ASN 25 HA ASN 25 -6.956 0.622 0.356 159 HB2 ASN 25 1HB ASN 25 -8.885 0.828 -1.123 160 HB3 ASN 25 2HB ASN 25 -9.137 2.490 -0.598 161 HD21 ASN 25 1HD2 ASN 25 -9.018 2.630 -3.043 162 HD22 ASN 25 2HD2 ASN 25 -7.462 2.966 -3.714 163 H SER 26 H SER 26 -8.458 3.298 2.032 164 HA SER 26 HA SER 26 -6.558 5.288 1.430 165 HB2 SER 26 1HB SER 26 -7.491 6.516 3.297 166 HB3 SER 26 2HB SER 26 -8.805 5.711 2.438 167 HG SER 26 HG SER 26 -7.682 4.226 4.465 168 H HIS 27 H HIS 27 -6.646 2.755 3.852 169 HA HIS 27 HA HIS 27 -4.536 3.689 5.473 170 HB2 HIS 27 1HB HIS 27 -5.858 1.040 5.047 171 HB3 HIS 27 2HB HIS 27 -4.354 1.103 5.961 172 HD1 HIS 27 HD1 HIS 27 -4.838 1.114 8.374 173 HD2 HIS 27 HD2 HIS 27 -7.672 3.271 6.235 174 HE1 HIS 27 HE1 HIS 27 -6.437 2.014 10.094 175 H LEU 28 H LEU 28 -4.598 1.547 2.656 176 HA LEU 28 HA LEU 28 -1.832 0.917 2.718 177 HB2 LEU 28 1HB LEU 28 -3.181 -0.573 1.528 178 HB3 LEU 28 2HB LEU 28 -3.979 0.721 0.637 179 HG LEU 28 HG LEU 28 -1.920 1.086 -0.653 180 HD11 LEU 28 1HD1 LEU 28 -0.462 -1.239 -0.239 181 HD12 LEU 28 2HD1 LEU 28 -0.820 -0.646 1.382 182 HD13 LEU 28 3HD1 LEU 28 0.002 0.399 0.223 183 HD21 LEU 28 3HD2 LEU 28 -2.807 -1.796 -0.688 184 HD22 LEU 28 1HD2 LEU 28 -2.069 -0.898 -2.015 185 HD23 LEU 28 2HD2 LEU 28 -3.679 -0.462 -1.443 186 H VAL 29 H VAL 29 -3.629 2.966 0.410 187 HA VAL 29 HA VAL 29 -1.617 4.093 -0.995 188 HB VAL 29 HB VAL 29 -4.014 5.571 0.099 189 HG11 VAL 29 1HG1 VAL 29 -2.043 6.942 -0.813 190 HG12 VAL 29 2HG1 VAL 29 -2.502 6.293 -2.389 191 HG13 VAL 29 3HG1 VAL 29 -3.650 7.264 -1.465 192 HG21 VAL 29 3HG2 VAL 29 -4.648 3.611 -1.174 193 HG22 VAL 29 1HG2 VAL 29 -5.002 5.067 -2.104 194 HG23 VAL 29 2HG2 VAL 29 -3.585 4.093 -2.496 195 H ARG 30 H ARG 30 -2.626 5.039 2.260 196 HA ARG 30 HA ARG 30 -0.678 7.156 2.423 197 HB2 ARG 30 1HB ARG 30 -2.933 7.094 3.615 198 HB3 ARG 30 2HB ARG 30 -2.201 5.938 4.721 199 HG2 ARG 30 1HG ARG 30 -0.945 8.610 4.223 200 HG3 ARG 30 2HG ARG 30 -2.253 8.411 5.391 201 HD2 ARG 30 1HD ARG 30 -0.754 6.445 6.264 202 HD3 ARG 30 2HD ARG 30 0.529 7.336 5.447 203 HE ARG 30 HE ARG 30 -0.949 9.088 7.085 204 HH11 ARG 30 1HH1 ARG 30 1.342 6.474 7.286 205 HH12 ARG 30 2HH1 ARG 30 2.013 7.006 8.793 206 HH21 ARG 30 1HH2 ARG 30 -0.074 9.798 9.068 207 HH22 ARG 30 2HH2 ARG 30 1.206 8.896 9.806 208 H HIS 31 H HIS 31 -1.002 3.850 3.608 209 HA HIS 31 HA HIS 31 1.097 3.715 5.389 210 HB2 HIS 31 1HB HIS 31 -0.069 1.744 5.358 211 HB3 HIS 31 2HB HIS 31 -0.253 1.755 3.607 212 HD1 HIS 31 HD1 HIS 31 2.087 0.684 6.322 213 HD2 HIS 31 HD2 HIS 31 1.783 0.476 2.184 214 HE1 HIS 31 HE1 HIS 31 3.850 -0.958 5.600 215 H ARG 32 H ARG 32 1.257 2.925 1.912 216 HA ARG 32 HA ARG 32 3.888 2.365 1.603 217 HB2 ARG 32 1HB ARG 32 3.692 3.553 -0.662 218 HB3 ARG 32 2HB ARG 32 2.566 2.244 -0.330 219 HG2 ARG 32 1HG ARG 32 0.917 4.012 0.397 220 HG3 ARG 32 2HG ARG 32 2.033 5.199 -0.281 221 HD2 ARG 32 1HD ARG 32 0.935 2.871 -1.843 222 HD3 ARG 32 2HD ARG 32 0.171 4.460 -1.805 223 HE ARG 32 HE ARG 32 2.934 4.578 -2.540 224 HH11 ARG 32 1HH1 ARG 32 -0.285 3.981 -3.724 225 HH12 ARG 32 2HH1 ARG 32 0.094 4.420 -5.356 226 HH21 ARG 32 1HH2 ARG 32 3.445 5.158 -4.686 227 HH22 ARG 32 2HH2 ARG 32 2.216 5.088 -5.903 228 H GLY 33 H GLY 33 2.477 5.570 2.022 229 HA2 GLY 33 1HA GLY 33 4.483 7.275 1.375 230 HA3 GLY 33 2HA GLY 33 3.475 7.505 2.796 231 H ILE 34 H ILE 34 4.388 5.208 4.232 232 HA ILE 34 HA ILE 34 6.441 6.243 5.731 233 HB ILE 34 HB ILE 34 6.759 4.078 6.699 234 HG12 ILE 34 1HG1 ILE 34 5.275 2.955 4.312 235 HG13 ILE 34 2HG1 ILE 34 7.009 2.819 4.586 236 HG21 ILE 34 1HG2 ILE 34 4.117 3.368 6.547 237 HG22 ILE 34 2HG2 ILE 34 4.792 4.579 7.636 238 HG23 ILE 34 3HG2 ILE 34 4.083 5.074 6.099 239 HD11 ILE 34 3HD1 ILE 34 5.812 1.843 6.909 240 HD12 ILE 34 1HD1 ILE 34 4.868 1.185 5.572 241 HD13 ILE 34 2HD1 ILE 34 6.611 0.917 5.638 242 H HIS 35 H HIS 35 6.663 4.177 2.878 243 HA HIS 35 HA HIS 35 9.509 3.889 3.030 244 HB2 HIS 35 1HB HIS 35 7.768 3.454 0.601 245 HB3 HIS 35 2HB HIS 35 9.345 2.742 0.934 246 HD1 HIS 35 HD1 HIS 35 9.283 1.190 3.265 247 HD2 HIS 35 HD2 HIS 35 5.741 1.770 1.172 248 HE1 HIS 35 HE1 HIS 35 7.750 -0.657 4.013 249 H THR 36 H THR 36 7.319 5.757 0.937 250 HA THR 36 HA THR 36 9.543 7.618 0.429 251 HB THR 36 HB THR 36 9.283 6.328 -1.595 252 HG1 THR 36 HG1 THR 36 9.646 8.290 -2.350 253 HG21 THR 36 3HG2 THR 36 6.916 5.622 -1.094 254 HG22 THR 36 1HG2 THR 36 7.226 6.072 -2.770 255 HG23 THR 36 2HG2 THR 36 6.398 7.197 -1.694 256 H GLY 37 H GLY 37 9.083 9.650 0.964 257 HA2 GLY 37 1HA GLY 37 7.847 11.615 1.125 258 HA3 GLY 37 2HA GLY 37 6.432 10.739 0.559 259 H GLU 38 H GLU 38 6.119 12.534 2.563 260 HA GLU 38 HA GLU 38 5.372 10.793 4.783 261 HB2 GLU 38 1HB GLU 38 7.266 13.101 4.954 262 HB3 GLU 38 2HB GLU 38 6.181 12.789 6.302 263 HG2 GLU 38 1HG GLU 38 7.798 10.545 5.207 264 HG3 GLU 38 2HG GLU 38 8.580 11.750 6.228 265 H LYS 39 H LYS 39 3.641 11.566 6.031 266 HA LYS 39 HA LYS 39 1.514 12.443 6.085 267 HB2 LYS 39 1HB LYS 39 3.453 14.707 6.270 268 HB3 LYS 39 2HB LYS 39 1.735 15.076 6.199 269 HG2 LYS 39 1HG LYS 39 1.425 13.516 8.143 270 HG3 LYS 39 2HG LYS 39 3.184 13.451 8.272 271 HD2 LYS 39 1HD LYS 39 3.127 15.982 8.409 272 HD3 LYS 39 2HD LYS 39 1.380 15.837 8.613 273 HE2 LYS 39 1HE LYS 39 3.378 14.424 10.369 274 HE3 LYS 39 2HE LYS 39 2.720 16.017 10.740 275 HZ1 LYS 39 3HZ LYS 39 0.929 13.734 10.208 276 HZ2 LYS 39 1HZ LYS 39 0.608 15.160 11.061 277 HZ3 LYS 39 2HZ LYS 39 1.594 13.968 11.746 278 HA PRO 40 HA PRO 40 1.529 13.504 1.481 279 HB2 PRO 40 1HB PRO 40 0.307 11.235 0.627 280 HB3 PRO 40 2HB PRO 40 2.062 11.385 0.768 281 HG2 PRO 40 1HG PRO 40 0.112 10.119 2.654 282 HG3 PRO 40 2HG PRO 40 1.703 9.536 2.131 283 HD2 PRO 40 1HD PRO 40 1.310 10.757 4.515 284 HD3 PRO 40 2HD PRO 40 2.829 10.903 3.607 285 H SER 41 H SER 41 -0.533 13.120 4.021 286 HA SER 41 HA SER 41 -3.007 13.326 2.499 287 HB2 SER 41 1HB SER 41 -4.068 13.381 4.779 288 HB3 SER 41 2HB SER 41 -3.115 11.932 4.459 289 HG SER 41 HG SER 41 -2.416 12.564 6.408 290 H GLY 42 H GLY 42 -1.249 15.442 2.040 291 HA2 GLY 42 1HA GLY 42 -1.766 17.716 1.669 292 HA3 GLY 42 2HA GLY 42 -2.885 17.658 3.023 293 HA PRO 43 HA PRO 43 1.599 18.098 4.836 294 HB2 PRO 43 1HB PRO 43 3.495 18.901 3.067 295 HB3 PRO 43 2HB PRO 43 3.153 17.199 3.402 296 HG2 PRO 43 1HG PRO 43 2.228 18.906 1.122 297 HG3 PRO 43 2HG PRO 43 2.822 17.235 1.100 298 HD2 PRO 43 1HD PRO 43 0.186 17.845 0.997 299 HD3 PRO 43 2HD PRO 43 0.795 16.372 1.779 300 H SER 44 H SER 44 -0.252 20.080 2.924 301 HA SER 44 HA SER 44 1.058 22.538 2.929 302 HB2 SER 44 1HB SER 44 -1.913 22.021 3.209 303 HB3 SER 44 2HB SER 44 -1.175 23.544 2.715 304 HG SER 44 HG SER 44 -1.951 21.880 1.059 305 H SER 45 H SER 45 2.103 23.106 4.776 306 HA SER 45 HA SER 45 0.556 23.218 7.269 307 HB2 SER 45 1HB SER 45 2.752 22.024 7.284 308 HB3 SER 45 2HB SER 45 3.542 23.552 6.893 309 HG SER 45 HG SER 45 1.823 23.425 9.105 310 H GLY 46 H GLY 46 -0.633 25.098 6.831 311 HA2 GLY 46 1HA GLY 46 0.358 27.516 5.873 312 HA3 GLY 46 2HA GLY 46 -1.041 27.354 6.924 Start of MODEL 17 1 H1 GLY 1 H GLY 1 14.841 -6.084 17.164 2 HA2 GLY 1 1HA GLY 1 14.781 -8.805 16.148 3 HA3 GLY 1 2HA GLY 1 14.797 -8.321 17.837 4 H SER 2 H SER 2 12.583 -7.474 15.187 5 HA SER 2 HA SER 2 10.402 -8.693 16.749 6 HB2 SER 2 1HB SER 2 8.925 -6.876 16.038 7 HB3 SER 2 2HB SER 2 10.323 -6.226 16.893 8 HG SER 2 HG SER 2 9.826 -5.088 14.943 9 H SER 3 H SER 3 8.827 -9.786 15.623 10 HA SER 3 HA SER 3 9.577 -10.789 13.052 11 HB2 SER 3 1HB SER 3 8.497 -12.290 14.600 12 HB3 SER 3 2HB SER 3 7.105 -11.217 14.743 13 HG SER 3 HG SER 3 7.892 -12.815 12.555 14 H GLY 4 H GLY 4 6.909 -8.765 14.247 15 HA2 GLY 4 1HA GLY 4 5.320 -7.548 13.085 16 HA3 GLY 4 2HA GLY 4 6.747 -6.946 12.254 17 H SER 5 H SER 5 4.590 -9.784 12.222 18 HA SER 5 HA SER 5 4.235 -9.470 9.358 19 HB2 SER 5 1HB SER 5 4.885 -11.787 8.848 20 HB3 SER 5 2HB SER 5 6.246 -10.877 9.504 21 HG SER 5 HG SER 5 4.630 -12.300 11.284 22 H SER 6 H SER 6 2.144 -9.697 8.970 23 HA SER 6 HA SER 6 0.626 -11.882 10.051 24 HB2 SER 6 1HB SER 6 0.686 -9.927 11.808 25 HB3 SER 6 2HB SER 6 -0.503 -9.191 10.734 26 HG SER 6 HG SER 6 -0.797 -11.850 11.626 27 H GLY 7 H GLY 7 -1.690 -11.782 9.287 28 HA2 GLY 7 1HA GLY 7 -2.691 -10.044 7.400 29 HA3 GLY 7 2HA GLY 7 -1.703 -11.181 6.495 30 H THR 8 H THR 8 -4.711 -10.618 7.972 31 HA THR 8 HA THR 8 -5.512 -13.371 8.196 32 HB THR 8 HB THR 8 -7.203 -10.864 8.245 33 HG1 THR 8 HG1 THR 8 -6.518 -12.412 10.502 34 HG21 THR 8 3HG2 THR 8 -8.827 -12.426 7.948 35 HG22 THR 8 1HG2 THR 8 -8.592 -12.653 9.681 36 HG23 THR 8 2HG2 THR 8 -7.816 -13.747 8.535 37 H GLY 9 H GLY 9 -5.160 -14.228 6.116 38 HA2 GLY 9 1HA GLY 9 -6.052 -15.004 4.125 39 HA3 GLY 9 2HA GLY 9 -7.390 -13.883 4.329 40 H GLU 10 H GLU 10 -5.254 -14.633 2.154 41 HA GLU 10 HA GLU 10 -3.703 -12.426 1.545 42 HB2 GLU 10 1HB GLU 10 -4.969 -14.576 -0.100 43 HB3 GLU 10 2HB GLU 10 -4.206 -13.220 -0.919 44 HG2 GLU 10 1HG GLU 10 -2.623 -14.993 -0.756 45 HG3 GLU 10 2HG GLU 10 -2.122 -13.701 0.332 46 H LYS 11 H LYS 11 -4.648 -10.453 1.859 47 HA LYS 11 HA LYS 11 -7.217 -9.786 0.775 48 HB2 LYS 11 1HB LYS 11 -5.056 -8.278 2.201 49 HB3 LYS 11 2HB LYS 11 -6.348 -7.395 1.399 50 HG2 LYS 11 1HG LYS 11 -8.006 -8.477 2.761 51 HG3 LYS 11 2HG LYS 11 -6.782 -9.522 3.485 52 HD2 LYS 11 1HD LYS 11 -5.916 -7.836 4.782 53 HD3 LYS 11 2HD LYS 11 -6.427 -6.569 3.665 54 HE2 LYS 11 1HE LYS 11 -7.873 -6.274 5.447 55 HE3 LYS 11 2HE LYS 11 -8.823 -7.277 4.352 56 HZ1 LYS 11 3HZ LYS 11 -8.755 -7.930 6.796 57 HZ2 LYS 11 1HZ LYS 11 -7.181 -8.473 6.497 58 HZ3 LYS 11 2HZ LYS 11 -8.483 -9.155 5.661 59 HA PRO 12 HA PRO 12 -6.103 -8.464 -3.262 60 HB2 PRO 12 1HB PRO 12 -7.893 -6.461 -3.658 61 HB3 PRO 12 2HB PRO 12 -8.348 -8.169 -3.650 62 HG2 PRO 12 1HG PRO 12 -8.592 -6.135 -1.468 63 HG3 PRO 12 2HG PRO 12 -9.758 -7.367 -1.985 64 HD2 PRO 12 1HD PRO 12 -8.173 -7.681 0.188 65 HD3 PRO 12 2HD PRO 12 -8.688 -9.046 -0.824 66 H TYR 13 H TYR 13 -6.210 -6.109 -0.673 67 HA TYR 13 HA TYR 13 -4.475 -4.310 -2.223 68 HB2 TYR 13 1HB TYR 13 -6.330 -3.863 0.098 69 HB3 TYR 13 2HB TYR 13 -5.037 -2.720 -0.248 70 HD1 TYR 13 HD2 TYR 13 -7.146 -4.604 -2.663 71 HD2 TYR 13 HD1 TYR 13 -6.186 -0.817 -0.978 72 HE1 TYR 13 HE2 TYR 13 -8.572 -3.504 -4.338 73 HE2 TYR 13 HE1 TYR 13 -7.610 0.294 -2.647 74 HH TYR 13 HH TYR 13 -8.470 -0.240 -4.981 75 H LYS 14 H LYS 14 -2.450 -5.097 -1.924 76 HA LYS 14 HA LYS 14 -1.445 -5.094 0.838 77 HB2 LYS 14 1HB LYS 14 -1.769 -7.430 0.114 78 HB3 LYS 14 2HB LYS 14 -0.733 -7.136 -1.277 79 HG2 LYS 14 1HG LYS 14 1.164 -6.756 0.161 80 HG3 LYS 14 2HG LYS 14 0.145 -6.905 1.595 81 HD2 LYS 14 1HD LYS 14 -0.434 -9.243 0.535 82 HD3 LYS 14 2HD LYS 14 1.113 -9.010 -0.283 83 HE2 LYS 14 1HE LYS 14 2.229 -8.737 1.853 84 HE3 LYS 14 2HE LYS 14 0.689 -8.866 2.701 85 HZ1 LYS 14 3HZ LYS 14 1.483 -10.989 2.878 86 HZ2 LYS 14 1HZ LYS 14 2.262 -10.961 1.377 87 HZ3 LYS 14 2HZ LYS 14 0.581 -11.133 1.454 88 H CYS 15 H CYS 15 0.501 -4.129 1.131 89 HA CYS 15 HA CYS 15 1.536 -2.531 -1.010 90 HB2 CYS 15 1HB CYS 15 1.474 -1.755 1.348 91 HB3 CYS 15 2HB CYS 15 2.669 -2.980 1.759 92 H ASN 16 H ASN 16 2.851 -3.272 -2.528 93 HA ASN 16 HA ASN 16 4.259 -5.734 -2.296 94 HB2 ASN 16 1HB ASN 16 3.563 -5.158 -4.478 95 HB3 ASN 16 2HB ASN 16 4.240 -3.537 -4.356 96 HD21 ASN 16 1HD2 ASN 16 5.253 -6.931 -4.199 97 HD22 ASN 16 2HD2 ASN 16 6.730 -6.708 -5.067 98 H GLU 17 H GLU 17 5.027 -2.443 -1.592 99 HA GLU 17 HA GLU 17 7.803 -2.450 -1.824 100 HB2 GLU 17 1HB GLU 17 6.232 -1.028 0.328 101 HB3 GLU 17 2HB GLU 17 7.805 -0.577 -0.313 102 HG2 GLU 17 1HG GLU 17 5.188 -0.518 -1.795 103 HG3 GLU 17 2HG GLU 17 6.090 0.872 -1.195 104 H CYS 18 H CYS 18 5.817 -3.193 1.040 105 HA CYS 18 HA CYS 18 8.143 -4.610 2.168 106 HB2 CYS 18 1HB CYS 18 7.058 -4.201 4.395 107 HB3 CYS 18 2HB CYS 18 7.604 -2.742 3.574 108 H GLY 19 H GLY 19 4.581 -4.616 2.069 109 HA2 GLY 19 1HA GLY 19 3.570 -6.745 1.285 110 HA3 GLY 19 2HA GLY 19 4.699 -7.556 2.360 111 H LYS 20 H LYS 20 2.357 -4.877 2.633 112 HA LYS 20 HA LYS 20 1.218 -6.255 4.973 113 HB2 LYS 20 1HB LYS 20 2.103 -3.421 4.667 114 HB3 LYS 20 2HB LYS 20 0.698 -3.753 5.671 115 HG2 LYS 20 1HG LYS 20 1.957 -5.095 7.154 116 HG3 LYS 20 2HG LYS 20 3.335 -5.142 6.052 117 HD2 LYS 20 1HD LYS 20 3.453 -2.620 6.330 118 HD3 LYS 20 2HD LYS 20 2.319 -2.816 7.668 119 HE2 LYS 20 1HE LYS 20 3.891 -4.313 8.786 120 HE3 LYS 20 2HE LYS 20 5.018 -4.145 7.440 121 HZ1 LYS 20 3HZ LYS 20 5.216 -1.796 7.931 122 HZ2 LYS 20 1HZ LYS 20 5.607 -2.711 9.300 123 HZ3 LYS 20 2HZ LYS 20 4.108 -1.934 9.202 124 H VAL 21 H VAL 21 -0.938 -6.484 4.978 125 HA VAL 21 HA VAL 21 -2.426 -5.371 2.720 126 HB VAL 21 HB VAL 21 -4.248 -6.937 3.549 127 HG11 VAL 21 1HG1 VAL 21 -1.589 -7.900 2.541 128 HG12 VAL 21 2HG1 VAL 21 -2.963 -8.992 2.728 129 HG13 VAL 21 3HG1 VAL 21 -3.075 -7.610 1.637 130 HG21 VAL 21 3HG2 VAL 21 -3.235 -7.127 5.851 131 HG22 VAL 21 1HG2 VAL 21 -3.709 -8.650 5.099 132 HG23 VAL 21 2HG2 VAL 21 -2.010 -8.177 5.138 133 H PHE 22 H PHE 22 -4.648 -4.592 3.105 134 HA PHE 22 HA PHE 22 -5.201 -3.554 5.764 135 HB2 PHE 22 1HB PHE 22 -4.964 -1.710 3.378 136 HB3 PHE 22 2HB PHE 22 -5.460 -1.246 5.002 137 HD1 PHE 22 HD1 PHE 22 -3.835 -1.175 6.826 138 HD2 PHE 22 HD2 PHE 22 -2.664 -2.071 2.832 139 HE1 PHE 22 HE1 PHE 22 -1.487 -0.736 7.419 140 HE2 PHE 22 HE2 PHE 22 -0.316 -1.634 3.419 141 HZ PHE 22 HZ PHE 22 0.276 -0.966 5.715 142 H THR 23 H THR 23 -7.367 -2.559 5.898 143 HA THR 23 HA THR 23 -9.248 -4.099 4.327 144 HB THR 23 HB THR 23 -10.965 -3.161 5.818 145 HG1 THR 23 HG1 THR 23 -9.919 -1.922 7.682 146 HG21 THR 23 3HG2 THR 23 -8.552 -4.104 7.368 147 HG22 THR 23 1HG2 THR 23 -9.657 -5.162 6.492 148 HG23 THR 23 2HG2 THR 23 -10.240 -4.221 7.865 149 H GLN 24 H GLN 24 -8.575 -0.663 4.938 150 HA GLN 24 HA GLN 24 -10.231 0.002 2.598 151 HB2 GLN 24 1HB GLN 24 -10.734 0.978 4.944 152 HB3 GLN 24 2HB GLN 24 -9.330 1.998 4.654 153 HG2 GLN 24 1HG GLN 24 -11.379 3.153 4.074 154 HG3 GLN 24 2HG GLN 24 -10.379 2.890 2.646 155 HE21 GLN 24 1HE2 GLN 24 -12.833 1.067 4.457 156 HE22 GLN 24 2HE2 GLN 24 -13.767 0.621 3.073 157 H ASN 25 H ASN 25 -9.427 1.340 0.994 158 HA ASN 25 HA ASN 25 -6.712 1.128 0.376 159 HB2 ASN 25 1HB ASN 25 -8.586 1.575 -1.244 160 HB3 ASN 25 2HB ASN 25 -8.598 3.242 -0.678 161 HD21 ASN 25 1HD2 ASN 25 -7.459 4.608 -1.832 162 HD22 ASN 25 2HD2 ASN 25 -6.102 4.220 -2.828 163 H SER 26 H SER 26 -8.521 3.710 1.949 164 HA SER 26 HA SER 26 -6.602 5.720 1.922 165 HB2 SER 26 1HB SER 26 -8.485 5.168 4.223 166 HB3 SER 26 2HB SER 26 -7.804 6.722 3.743 167 HG SER 26 HG SER 26 -9.533 6.913 2.576 168 H HIS 27 H HIS 27 -6.859 2.868 3.925 169 HA HIS 27 HA HIS 27 -4.936 3.668 5.871 170 HB2 HIS 27 1HB HIS 27 -6.193 1.044 5.119 171 HB3 HIS 27 2HB HIS 27 -4.876 1.107 6.286 172 HD1 HIS 27 HD1 HIS 27 -6.599 0.225 8.074 173 HD2 HIS 27 HD2 HIS 27 -7.420 3.998 6.539 174 HE1 HIS 27 HE1 HIS 27 -8.289 1.234 9.638 175 H LEU 28 H LEU 28 -4.783 2.039 2.779 176 HA LEU 28 HA LEU 28 -1.992 1.330 3.111 177 HB2 LEU 28 1HB LEU 28 -3.310 -0.231 1.906 178 HB3 LEU 28 2HB LEU 28 -3.952 1.027 0.851 179 HG LEU 28 HG LEU 28 -1.702 1.282 -0.148 180 HD11 LEU 28 1HD1 LEU 28 -0.721 0.126 2.049 181 HD12 LEU 28 2HD1 LEU 28 0.123 0.113 0.502 182 HD13 LEU 28 3HD1 LEU 28 -0.816 -1.292 1.005 183 HD21 LEU 28 3HD2 LEU 28 -1.842 -0.630 -1.538 184 HD22 LEU 28 1HD2 LEU 28 -3.493 -0.249 -1.048 185 HD23 LEU 28 2HD2 LEU 28 -2.629 -1.579 -0.276 186 H VAL 29 H VAL 29 -3.794 3.257 0.704 187 HA VAL 29 HA VAL 29 -1.869 4.444 -0.714 188 HB VAL 29 HB VAL 29 -4.409 4.967 -0.641 189 HG11 VAL 29 1HG1 VAL 29 -5.018 7.036 0.448 190 HG12 VAL 29 2HG1 VAL 29 -4.364 5.912 1.641 191 HG13 VAL 29 3HG1 VAL 29 -3.371 7.242 1.044 192 HG21 VAL 29 3HG2 VAL 29 -4.068 6.643 -2.170 193 HG22 VAL 29 1HG2 VAL 29 -2.797 7.405 -1.213 194 HG23 VAL 29 2HG2 VAL 29 -2.456 5.930 -2.117 195 H ARG 30 H ARG 30 -2.677 5.277 2.618 196 HA ARG 30 HA ARG 30 -0.811 7.453 2.752 197 HB2 ARG 30 1HB ARG 30 -2.859 7.322 4.159 198 HB3 ARG 30 2HB ARG 30 -2.152 5.954 5.009 199 HG2 ARG 30 1HG ARG 30 -0.546 7.266 6.049 200 HG3 ARG 30 2HG ARG 30 -0.713 8.572 4.874 201 HD2 ARG 30 1HD ARG 30 -2.922 7.769 6.752 202 HD3 ARG 30 2HD ARG 30 -1.712 8.982 7.166 203 HE ARG 30 HE ARG 30 -2.925 9.577 4.673 204 HH11 ARG 30 1HH1 ARG 30 -3.494 9.660 8.107 205 HH12 ARG 30 2HH1 ARG 30 -4.619 10.975 8.020 206 HH21 ARG 30 1HH2 ARG 30 -4.405 11.308 4.546 207 HH22 ARG 30 2HH2 ARG 30 -5.137 11.911 5.994 208 H HIS 31 H HIS 31 -0.901 4.179 4.158 209 HA HIS 31 HA HIS 31 1.508 4.149 5.468 210 HB2 HIS 31 1HB HIS 31 0.354 2.199 5.817 211 HB3 HIS 31 2HB HIS 31 -0.143 2.064 4.133 212 HD1 HIS 31 HD1 HIS 31 2.375 0.889 6.533 213 HD2 HIS 31 HD2 HIS 31 1.892 0.967 2.407 214 HE1 HIS 31 HE1 HIS 31 4.060 -0.745 5.628 215 H ARG 32 H ARG 32 1.009 3.040 2.112 216 HA ARG 32 HA ARG 32 3.451 2.384 1.276 217 HB2 ARG 32 1HB ARG 32 1.195 2.973 -0.039 218 HB3 ARG 32 2HB ARG 32 2.133 4.397 -0.469 219 HG2 ARG 32 1HG ARG 32 3.821 3.075 -1.497 220 HG3 ARG 32 2HG ARG 32 3.117 1.584 -0.866 221 HD2 ARG 32 1HD ARG 32 1.425 1.571 -2.403 222 HD3 ARG 32 2HD ARG 32 1.406 3.327 -2.556 223 HE ARG 32 HE ARG 32 3.800 2.570 -3.630 224 HH11 ARG 32 1HH1 ARG 32 0.466 1.755 -4.213 225 HH12 ARG 32 2HH1 ARG 32 0.703 1.436 -5.899 226 HH21 ARG 32 1HH2 ARG 32 4.125 2.153 -5.849 227 HH22 ARG 32 2HH2 ARG 32 2.784 1.662 -6.829 228 H GLY 33 H GLY 33 2.451 5.645 2.092 229 HA2 GLY 33 1HA GLY 33 4.443 7.192 1.013 230 HA3 GLY 33 2HA GLY 33 3.714 7.506 2.581 231 H ILE 34 H ILE 34 4.601 5.486 4.136 232 HA ILE 34 HA ILE 34 6.976 6.230 5.138 233 HB ILE 34 HB ILE 34 7.262 4.065 6.126 234 HG12 ILE 34 1HG1 ILE 34 5.170 2.941 4.269 235 HG13 ILE 34 2HG1 ILE 34 6.888 2.861 3.894 236 HG21 ILE 34 1HG2 ILE 34 4.745 5.428 6.066 237 HG22 ILE 34 2HG2 ILE 34 4.482 3.701 6.303 238 HG23 ILE 34 3HG2 ILE 34 5.528 4.594 7.407 239 HD11 ILE 34 3HD1 ILE 34 5.966 0.807 4.930 240 HD12 ILE 34 1HD1 ILE 34 7.310 1.520 5.822 241 HD13 ILE 34 2HD1 ILE 34 5.656 1.738 6.395 242 H HIS 35 H HIS 35 6.514 4.374 2.225 243 HA HIS 35 HA HIS 35 9.330 3.736 1.971 244 HB2 HIS 35 1HB HIS 35 7.033 3.316 0.046 245 HB3 HIS 35 2HB HIS 35 8.666 2.690 -0.164 246 HD1 HIS 35 HD1 HIS 35 9.440 0.903 1.701 247 HD2 HIS 35 HD2 HIS 35 5.370 1.712 1.496 248 HE1 HIS 35 HE1 HIS 35 8.317 -0.988 2.919 249 H THR 36 H THR 36 6.948 5.759 0.278 250 HA THR 36 HA THR 36 9.170 7.428 -0.679 251 HB THR 36 HB THR 36 8.715 6.394 -2.686 252 HG1 THR 36 HG1 THR 36 7.503 7.881 -3.905 253 HG21 THR 36 3HG2 THR 36 6.019 6.224 -3.185 254 HG22 THR 36 1HG2 THR 36 6.114 5.869 -1.460 255 HG23 THR 36 2HG2 THR 36 7.038 4.904 -2.612 256 H GLY 37 H GLY 37 8.903 9.524 -0.248 257 HA2 GLY 37 1HA GLY 37 7.020 11.298 -0.585 258 HA3 GLY 37 2HA GLY 37 6.279 10.402 0.733 259 H GLU 38 H GLU 38 9.642 11.412 0.148 260 HA GLU 38 HA GLU 38 9.520 12.926 2.671 261 HB2 GLU 38 1HB GLU 38 11.811 12.240 3.159 262 HB3 GLU 38 2HB GLU 38 10.764 10.837 2.996 263 HG2 GLU 38 1HG GLU 38 11.588 10.527 0.694 264 HG3 GLU 38 2HG GLU 38 12.691 11.881 0.934 265 H LYS 39 H LYS 39 9.967 13.080 -0.598 266 HA LYS 39 HA LYS 39 10.898 15.778 -0.497 267 HB2 LYS 39 1HB LYS 39 12.995 14.256 -0.307 268 HB3 LYS 39 2HB LYS 39 12.718 13.930 -2.013 269 HG2 LYS 39 1HG LYS 39 12.947 16.275 -2.539 270 HG3 LYS 39 2HG LYS 39 13.104 16.671 -0.826 271 HD2 LYS 39 1HD LYS 39 15.177 15.435 -0.691 272 HD3 LYS 39 2HD LYS 39 14.996 14.889 -2.359 273 HE2 LYS 39 1HE LYS 39 15.031 17.813 -1.750 274 HE3 LYS 39 2HE LYS 39 16.546 16.914 -1.795 275 HZ1 LYS 39 3HZ LYS 39 15.273 16.124 -4.057 276 HZ2 LYS 39 1HZ LYS 39 16.490 17.296 -3.973 277 HZ3 LYS 39 2HZ LYS 39 14.864 17.762 -3.957 278 HA PRO 40 HA PRO 40 8.479 15.784 -4.183 279 HB2 PRO 40 1HB PRO 40 9.208 18.220 -5.134 280 HB3 PRO 40 2HB PRO 40 8.119 18.012 -3.756 281 HG2 PRO 40 1HG PRO 40 11.049 18.625 -3.779 282 HG3 PRO 40 2HG PRO 40 9.768 19.327 -2.776 283 HD2 PRO 40 1HD PRO 40 11.444 17.406 -1.864 284 HD3 PRO 40 2HD PRO 40 9.761 17.544 -1.315 285 H SER 41 H SER 41 11.749 15.364 -4.079 286 HA SER 41 HA SER 41 12.961 15.957 -6.380 287 HB2 SER 41 1HB SER 41 13.618 14.261 -4.472 288 HB3 SER 41 2HB SER 41 13.032 13.061 -5.624 289 HG SER 41 HG SER 41 14.502 14.407 -7.122 290 H GLY 42 H GLY 42 10.825 13.109 -6.093 291 HA2 GLY 42 1HA GLY 42 9.145 13.182 -8.072 292 HA3 GLY 42 2HA GLY 42 10.617 13.054 -9.024 293 HA PRO 43 HA PRO 43 8.980 8.860 -7.310 294 HB2 PRO 43 1HB PRO 43 7.258 8.121 -9.275 295 HB3 PRO 43 2HB PRO 43 6.746 8.999 -7.829 296 HG2 PRO 43 1HG PRO 43 7.315 10.042 -10.577 297 HG3 PRO 43 2HG PRO 43 5.986 10.453 -9.478 298 HD2 PRO 43 1HD PRO 43 8.167 12.029 -9.779 299 HD3 PRO 43 2HD PRO 43 7.288 11.899 -8.242 300 H SER 44 H SER 44 8.820 6.759 -8.866 301 HA SER 44 HA SER 44 10.729 6.978 -11.062 302 HB2 SER 44 1HB SER 44 12.174 6.539 -9.165 303 HB3 SER 44 2HB SER 44 11.152 5.197 -8.651 304 HG SER 44 HG SER 44 12.278 5.192 -11.225 305 H SER 45 H SER 45 10.290 5.614 -12.695 306 HA SER 45 HA SER 45 7.924 4.395 -13.103 307 HB2 SER 45 1HB SER 45 9.840 4.635 -14.753 308 HB3 SER 45 2HB SER 45 10.494 3.141 -14.081 309 HG SER 45 HG SER 45 7.842 3.307 -15.042 310 H GLY 46 H GLY 46 6.931 2.456 -12.705 311 HA2 GLY 46 1HA GLY 46 7.800 1.020 -10.384 312 HA3 GLY 46 2HA GLY 46 6.383 0.663 -11.360 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -3.746 -35.744 4.967 2 HA2 GLY 1 1HA GLY 1 -4.039 -33.968 6.676 3 HA3 GLY 1 2HA GLY 1 -3.001 -33.430 5.364 4 H SER 2 H SER 2 -5.379 -32.407 7.266 5 HA SER 2 HA SER 2 -6.677 -30.813 5.155 6 HB2 SER 2 1HB SER 2 -8.606 -30.607 6.575 7 HB3 SER 2 2HB SER 2 -8.168 -32.314 6.522 8 HG SER 2 HG SER 2 -8.029 -30.501 8.625 9 H SER 3 H SER 3 -6.704 -28.615 5.303 10 HA SER 3 HA SER 3 -5.574 -27.351 7.690 11 HB2 SER 3 1HB SER 3 -4.028 -26.002 6.393 12 HB3 SER 3 2HB SER 3 -3.715 -27.707 6.067 13 HG SER 3 HG SER 3 -5.291 -27.263 4.224 14 H GLY 4 H GLY 4 -5.780 -24.905 7.534 15 HA2 GLY 4 1HA GLY 4 -6.940 -23.005 6.668 16 HA3 GLY 4 2HA GLY 4 -8.088 -24.095 5.904 17 H SER 5 H SER 5 -7.203 -22.440 8.826 18 HA SER 5 HA SER 5 -9.535 -23.520 10.230 19 HB2 SER 5 1HB SER 5 -7.380 -23.465 11.441 20 HB3 SER 5 2HB SER 5 -7.330 -21.712 11.253 21 HG SER 5 HG SER 5 -9.636 -22.775 12.375 22 H SER 6 H SER 6 -10.153 -21.902 8.074 23 HA SER 6 HA SER 6 -11.213 -19.978 7.425 24 HB2 SER 6 1HB SER 6 -13.164 -19.504 8.682 25 HB3 SER 6 2HB SER 6 -12.842 -21.214 8.967 26 HG SER 6 HG SER 6 -12.629 -19.044 10.701 27 H GLY 7 H GLY 7 -8.660 -19.394 8.291 28 HA2 GLY 7 1HA GLY 7 -9.082 -16.728 9.469 29 HA3 GLY 7 2HA GLY 7 -7.825 -17.775 10.111 30 H THR 8 H THR 8 -6.398 -18.719 8.222 31 HA THR 8 HA THR 8 -4.834 -16.677 7.232 32 HB THR 8 HB THR 8 -3.898 -18.347 5.632 33 HG1 THR 8 HG1 THR 8 -4.949 -20.155 5.236 34 HG21 THR 8 3HG2 THR 8 -4.302 -19.586 8.346 35 HG22 THR 8 1HG2 THR 8 -3.265 -18.184 8.089 36 HG23 THR 8 2HG2 THR 8 -2.898 -19.712 7.287 37 H GLY 9 H GLY 9 -5.737 -15.039 6.093 38 HA2 GLY 9 1HA GLY 9 -7.094 -15.776 3.572 39 HA3 GLY 9 2HA GLY 9 -7.593 -14.403 4.549 40 H GLU 10 H GLU 10 -6.671 -14.555 1.740 41 HA GLU 10 HA GLU 10 -4.217 -12.949 1.900 42 HB2 GLU 10 1HB GLU 10 -4.067 -14.870 0.417 43 HB3 GLU 10 2HB GLU 10 -5.505 -14.348 -0.449 44 HG2 GLU 10 1HG GLU 10 -3.869 -13.617 -1.860 45 HG3 GLU 10 2HG GLU 10 -4.105 -12.181 -0.865 46 H LYS 11 H LYS 11 -4.765 -10.873 2.214 47 HA LYS 11 HA LYS 11 -7.127 -9.677 1.172 48 HB2 LYS 11 1HB LYS 11 -5.553 -9.016 3.202 49 HB3 LYS 11 2HB LYS 11 -4.784 -8.015 1.978 50 HG2 LYS 11 1HG LYS 11 -6.382 -6.669 3.097 51 HG3 LYS 11 2HG LYS 11 -7.031 -7.028 1.495 52 HD2 LYS 11 1HD LYS 11 -8.138 -9.052 2.775 53 HD3 LYS 11 2HD LYS 11 -7.916 -7.994 4.170 54 HE2 LYS 11 1HE LYS 11 -9.287 -7.152 1.622 55 HE3 LYS 11 2HE LYS 11 -10.138 -7.788 3.029 56 HZ1 LYS 11 3HZ LYS 11 -10.183 -5.723 3.795 57 HZ2 LYS 11 1HZ LYS 11 -9.171 -5.163 2.561 58 HZ3 LYS 11 2HZ LYS 11 -8.504 -5.787 3.984 59 HA PRO 12 HA PRO 12 -5.701 -8.822 -2.928 60 HB2 PRO 12 1HB PRO 12 -7.680 -7.100 -3.628 61 HB3 PRO 12 2HB PRO 12 -7.918 -8.849 -3.530 62 HG2 PRO 12 1HG PRO 12 -8.619 -6.727 -1.538 63 HG3 PRO 12 2HG PRO 12 -9.569 -8.131 -2.058 64 HD2 PRO 12 1HD PRO 12 -8.171 -8.095 0.261 65 HD3 PRO 12 2HD PRO 12 -8.415 -9.578 -0.684 66 H TYR 13 H TYR 13 -5.963 -6.548 -0.385 67 HA TYR 13 HA TYR 13 -4.593 -4.495 -1.990 68 HB2 TYR 13 1HB TYR 13 -6.323 -4.302 0.467 69 HB3 TYR 13 2HB TYR 13 -5.256 -2.988 -0.017 70 HD1 TYR 13 HD2 TYR 13 -7.382 -5.256 -2.080 71 HD2 TYR 13 HD1 TYR 13 -6.634 -1.277 -0.770 72 HE1 TYR 13 HE2 TYR 13 -9.109 -4.429 -3.623 73 HE2 TYR 13 HE1 TYR 13 -8.360 -0.440 -2.309 74 HH TYR 13 HH TYR 13 -9.761 -2.409 -4.746 75 H LYS 14 H LYS 14 -2.538 -5.466 -1.775 76 HA LYS 14 HA LYS 14 -1.375 -5.213 0.922 77 HB2 LYS 14 1HB LYS 14 -1.557 -7.575 0.102 78 HB3 LYS 14 2HB LYS 14 -0.485 -7.146 -1.225 79 HG2 LYS 14 1HG LYS 14 1.331 -6.771 0.235 80 HG3 LYS 14 2HG LYS 14 0.288 -6.804 1.658 81 HD2 LYS 14 1HD LYS 14 0.075 -9.100 1.612 82 HD3 LYS 14 2HD LYS 14 0.419 -9.202 -0.117 83 HE2 LYS 14 1HE LYS 14 2.476 -8.383 1.922 84 HE3 LYS 14 2HE LYS 14 2.223 -10.058 1.436 85 HZ1 LYS 14 3HZ LYS 14 3.744 -8.096 0.150 86 HZ2 LYS 14 1HZ LYS 14 2.457 -8.496 -0.874 87 HZ3 LYS 14 2HZ LYS 14 3.502 -9.704 -0.317 88 H CYS 15 H CYS 15 0.669 -4.302 1.094 89 HA CYS 15 HA CYS 15 1.341 -2.383 -0.894 90 HB2 CYS 15 1HB CYS 15 1.731 -1.986 1.502 91 HB3 CYS 15 2HB CYS 15 2.914 -3.289 1.526 92 H ASN 16 H ASN 16 2.378 -2.776 -2.724 93 HA ASN 16 HA ASN 16 3.917 -5.195 -3.075 94 HB2 ASN 16 1HB ASN 16 2.354 -3.911 -4.784 95 HB3 ASN 16 2HB ASN 16 3.843 -3.042 -5.145 96 HD21 ASN 16 1HD2 ASN 16 2.475 -6.284 -4.884 97 HD22 ASN 16 2HD2 ASN 16 3.479 -6.999 -6.095 98 H GLU 17 H GLU 17 5.022 -3.460 -1.146 99 HA GLU 17 HA GLU 17 7.588 -2.851 -2.438 100 HB2 GLU 17 1HB GLU 17 6.224 -1.104 -0.382 101 HB3 GLU 17 2HB GLU 17 7.826 -0.837 -1.053 102 HG2 GLU 17 1HG GLU 17 6.681 -0.733 -3.322 103 HG3 GLU 17 2HG GLU 17 5.170 -0.608 -2.422 104 H CYS 18 H CYS 18 5.861 -3.436 0.597 105 HA CYS 18 HA CYS 18 8.299 -4.720 1.638 106 HB2 CYS 18 1HB CYS 18 7.680 -3.969 3.890 107 HB3 CYS 18 2HB CYS 18 7.911 -2.600 2.808 108 H GLY 19 H GLY 19 4.756 -4.561 1.887 109 HA2 GLY 19 1HA GLY 19 3.616 -6.739 1.495 110 HA3 GLY 19 2HA GLY 19 4.791 -7.429 2.604 111 H LYS 20 H LYS 20 2.068 -5.202 2.355 112 HA LYS 20 HA LYS 20 1.248 -5.960 5.042 113 HB2 LYS 20 1HB LYS 20 2.158 -3.239 4.261 114 HB3 LYS 20 2HB LYS 20 0.739 -3.344 5.294 115 HG2 LYS 20 1HG LYS 20 1.978 -4.549 6.964 116 HG3 LYS 20 2HG LYS 20 3.390 -4.631 5.908 117 HD2 LYS 20 1HD LYS 20 3.794 -2.878 7.460 118 HD3 LYS 20 2HD LYS 20 3.407 -2.112 5.917 119 HE2 LYS 20 1HE LYS 20 2.073 -0.875 7.290 120 HE3 LYS 20 2HE LYS 20 0.956 -2.187 6.915 121 HZ1 LYS 20 3HZ LYS 20 0.896 -1.861 9.240 122 HZ2 LYS 20 1HZ LYS 20 2.583 -1.847 9.369 123 HZ3 LYS 20 2HZ LYS 20 1.776 -3.285 8.990 124 H VAL 21 H VAL 21 -0.901 -6.196 5.183 125 HA VAL 21 HA VAL 21 -2.516 -5.324 2.891 126 HB VAL 21 HB VAL 21 -4.154 -6.985 3.572 127 HG11 VAL 21 1HG1 VAL 21 -2.792 -8.086 2.139 128 HG12 VAL 21 2HG1 VAL 21 -1.337 -7.723 3.069 129 HG13 VAL 21 3HG1 VAL 21 -2.414 -9.022 3.584 130 HG21 VAL 21 3HG2 VAL 21 -3.986 -8.327 5.482 131 HG22 VAL 21 1HG2 VAL 21 -2.294 -7.903 5.741 132 HG23 VAL 21 2HG2 VAL 21 -3.559 -6.713 6.050 133 H PHE 22 H PHE 22 -4.605 -4.411 3.233 134 HA PHE 22 HA PHE 22 -5.137 -3.358 5.912 135 HB2 PHE 22 1HB PHE 22 -5.109 -1.637 3.424 136 HB3 PHE 22 2HB PHE 22 -5.534 -1.108 5.049 137 HD1 PHE 22 HD2 PHE 22 -2.727 -2.663 3.158 138 HD2 PHE 22 HD1 PHE 22 -3.917 -0.144 6.376 139 HE1 PHE 22 HE2 PHE 22 -0.371 -2.100 3.584 140 HE2 PHE 22 HE1 PHE 22 -1.562 0.423 6.808 141 HZ PHE 22 HZ PHE 22 0.215 -0.557 5.412 142 H THR 23 H THR 23 -7.338 -2.248 5.957 143 HA THR 23 HA THR 23 -9.237 -4.029 4.661 144 HB THR 23 HB THR 23 -9.568 -3.647 7.026 145 HG1 THR 23 HG1 THR 23 -11.438 -3.779 5.577 146 HG21 THR 23 3HG2 THR 23 -9.666 -0.738 6.249 147 HG22 THR 23 1HG2 THR 23 -8.571 -1.521 7.387 148 HG23 THR 23 2HG2 THR 23 -10.279 -1.342 7.788 149 H GLN 24 H GLN 24 -8.230 -0.685 4.568 150 HA GLN 24 HA GLN 24 -10.106 -0.242 2.344 151 HB2 GLN 24 1HB GLN 24 -10.759 0.953 4.470 152 HB3 GLN 24 2HB GLN 24 -9.273 1.882 4.320 153 HG2 GLN 24 1HG GLN 24 -11.102 3.166 3.458 154 HG3 GLN 24 2HG GLN 24 -10.042 2.701 2.128 155 HE21 GLN 24 1HE2 GLN 24 -13.147 2.272 3.609 156 HE22 GLN 24 2HE2 GLN 24 -13.887 1.426 2.297 157 H ASN 25 H ASN 25 -9.405 1.339 0.768 158 HA ASN 25 HA ASN 25 -6.677 1.013 0.062 159 HB2 ASN 25 1HB ASN 25 -7.182 2.252 -1.891 160 HB3 ASN 25 2HB ASN 25 -8.656 1.366 -1.511 161 HD21 ASN 25 1HD2 ASN 25 -7.159 4.453 -1.768 162 HD22 ASN 25 2HD2 ASN 25 -8.577 5.404 -1.504 163 H SER 26 H SER 26 -8.533 3.894 1.044 164 HA SER 26 HA SER 26 -6.527 5.769 1.035 165 HB2 SER 26 1HB SER 26 -7.868 7.079 2.485 166 HB3 SER 26 2HB SER 26 -9.008 6.086 1.577 167 HG SER 26 HG SER 26 -9.043 6.275 4.078 168 H HIS 27 H HIS 27 -7.168 3.279 3.421 169 HA HIS 27 HA HIS 27 -5.333 4.266 5.371 170 HB2 HIS 27 1HB HIS 27 -6.777 1.660 4.976 171 HB3 HIS 27 2HB HIS 27 -5.549 1.827 6.227 172 HD1 HIS 27 HD1 HIS 27 -6.653 2.186 8.399 173 HD2 HIS 27 HD2 HIS 27 -8.644 4.146 5.324 174 HE1 HIS 27 HE1 HIS 27 -8.559 3.402 9.500 175 H LEU 28 H LEU 28 -5.111 2.105 2.629 176 HA LEU 28 HA LEU 28 -2.514 1.094 3.311 177 HB2 LEU 28 1HB LEU 28 -3.832 -0.329 1.989 178 HB3 LEU 28 2HB LEU 28 -4.241 0.962 0.861 179 HG LEU 28 HG LEU 28 -1.808 0.940 0.160 180 HD11 LEU 28 1HD1 LEU 28 -0.546 -1.092 0.618 181 HD12 LEU 28 2HD1 LEU 28 -1.841 -1.673 1.664 182 HD13 LEU 28 3HD1 LEU 28 -0.924 -0.234 2.112 183 HD21 LEU 28 3HD2 LEU 28 -2.553 -0.235 -1.570 184 HD22 LEU 28 1HD2 LEU 28 -3.991 -0.623 -0.626 185 HD23 LEU 28 2HD2 LEU 28 -2.605 -1.713 -0.609 186 H VAL 29 H VAL 29 -3.691 3.274 0.743 187 HA VAL 29 HA VAL 29 -1.323 4.016 -0.401 188 HB VAL 29 HB VAL 29 -3.727 4.792 -0.948 189 HG11 VAL 29 1HG1 VAL 29 -4.400 6.927 -0.115 190 HG12 VAL 29 2HG1 VAL 29 -4.034 5.902 1.274 191 HG13 VAL 29 3HG1 VAL 29 -2.879 7.130 0.754 192 HG21 VAL 29 3HG2 VAL 29 -1.923 7.096 -1.303 193 HG22 VAL 29 1HG2 VAL 29 -1.302 5.541 -1.855 194 HG23 VAL 29 2HG2 VAL 29 -2.822 6.163 -2.498 195 H ARG 30 H ARG 30 -2.652 5.097 2.663 196 HA ARG 30 HA ARG 30 -0.908 7.260 3.115 197 HB2 ARG 30 1HB ARG 30 -2.356 5.457 5.060 198 HB3 ARG 30 2HB ARG 30 -1.502 6.923 5.524 199 HG2 ARG 30 1HG ARG 30 -3.560 7.137 3.399 200 HG3 ARG 30 2HG ARG 30 -4.102 6.897 5.062 201 HD2 ARG 30 1HD ARG 30 -4.027 9.198 4.916 202 HD3 ARG 30 2HD ARG 30 -2.444 8.826 5.598 203 HE ARG 30 HE ARG 30 -1.906 8.869 2.980 204 HH11 ARG 30 1HH1 ARG 30 -3.680 11.077 5.004 205 HH12 ARG 30 2HH1 ARG 30 -3.282 12.472 4.056 206 HH21 ARG 30 1HH2 ARG 30 -1.375 10.697 1.723 207 HH22 ARG 30 2HH2 ARG 30 -1.971 12.254 2.189 208 H HIS 31 H HIS 31 -0.734 3.871 4.193 209 HA HIS 31 HA HIS 31 1.639 4.008 5.620 210 HB2 HIS 31 1HB HIS 31 0.574 1.978 5.876 211 HB3 HIS 31 2HB HIS 31 0.213 1.829 4.158 212 HD1 HIS 31 HD1 HIS 31 2.985 1.286 6.640 213 HD2 HIS 31 HD2 HIS 31 2.108 0.478 2.661 214 HE1 HIS 31 HE1 HIS 31 4.776 -0.301 5.867 215 H ARG 32 H ARG 32 1.190 3.234 2.175 216 HA ARG 32 HA ARG 32 3.669 2.669 1.314 217 HB2 ARG 32 1HB ARG 32 1.781 4.631 -0.000 218 HB3 ARG 32 2HB ARG 32 3.146 3.861 -0.797 219 HG2 ARG 32 1HG ARG 32 0.795 2.401 0.390 220 HG3 ARG 32 2HG ARG 32 0.993 2.792 -1.320 221 HD2 ARG 32 1HD ARG 32 2.901 1.112 0.303 222 HD3 ARG 32 2HD ARG 32 1.653 0.472 -0.765 223 HE ARG 32 HE ARG 32 4.178 1.628 -1.536 224 HH11 ARG 32 1HH1 ARG 32 0.947 0.814 -2.544 225 HH12 ARG 32 2HH1 ARG 32 1.348 0.755 -4.229 226 HH21 ARG 32 1HH2 ARG 32 4.718 1.554 -3.751 227 HH22 ARG 32 2HH2 ARG 32 3.493 1.175 -4.914 228 H GLY 33 H GLY 33 2.633 5.731 2.591 229 HA2 GLY 33 1HA GLY 33 4.559 7.466 1.620 230 HA3 GLY 33 2HA GLY 33 3.828 7.591 3.213 231 H ILE 34 H ILE 34 4.778 5.401 4.511 232 HA ILE 34 HA ILE 34 7.165 6.128 5.558 233 HB ILE 34 HB ILE 34 7.480 3.880 6.367 234 HG12 ILE 34 1HG1 ILE 34 5.230 2.812 4.723 235 HG13 ILE 34 2HG1 ILE 34 6.809 2.974 3.963 236 HG21 ILE 34 1HG2 ILE 34 4.622 3.678 6.516 237 HG22 ILE 34 2HG2 ILE 34 5.775 4.156 7.760 238 HG23 ILE 34 3HG2 ILE 34 5.120 5.364 6.654 239 HD11 ILE 34 3HD1 ILE 34 6.461 0.738 4.854 240 HD12 ILE 34 1HD1 ILE 34 7.788 1.556 5.678 241 HD13 ILE 34 2HD1 ILE 34 6.217 1.412 6.466 242 H HIS 35 H HIS 35 6.651 4.616 2.490 243 HA HIS 35 HA HIS 35 9.392 3.797 2.135 244 HB2 HIS 35 1HB HIS 35 7.060 3.949 0.218 245 HB3 HIS 35 2HB HIS 35 8.651 3.334 -0.219 246 HD1 HIS 35 HD1 HIS 35 9.166 0.944 0.373 247 HD2 HIS 35 HD2 HIS 35 5.664 2.316 2.136 248 HE1 HIS 35 HE1 HIS 35 8.086 -1.086 1.391 249 H THR 36 H THR 36 7.309 6.395 0.915 250 HA THR 36 HA THR 36 9.714 7.963 0.332 251 HB THR 36 HB THR 36 9.211 7.128 -1.834 252 HG1 THR 36 HG1 THR 36 9.219 9.615 -1.357 253 HG21 THR 36 3HG2 THR 36 6.610 7.974 -2.439 254 HG22 THR 36 1HG2 THR 36 6.495 7.174 -0.872 255 HG23 THR 36 2HG2 THR 36 7.177 6.314 -2.253 256 H GLY 37 H GLY 37 9.562 9.841 1.358 257 HA2 GLY 37 1HA GLY 37 6.900 11.097 1.590 258 HA3 GLY 37 2HA GLY 37 7.983 11.004 2.972 259 H GLU 38 H GLU 38 10.317 11.459 1.122 260 HA GLU 38 HA GLU 38 10.097 14.375 1.102 261 HB2 GLU 38 1HB GLU 38 12.012 13.129 2.243 262 HB3 GLU 38 2HB GLU 38 12.595 12.757 0.626 263 HG2 GLU 38 1HG GLU 38 13.165 14.936 0.179 264 HG3 GLU 38 2HG GLU 38 12.024 15.588 1.353 265 H LYS 39 H LYS 39 9.151 15.003 -0.762 266 HA LYS 39 HA LYS 39 8.931 15.493 -2.972 267 HB2 LYS 39 1HB LYS 39 11.354 16.001 -2.803 268 HB3 LYS 39 2HB LYS 39 11.711 14.332 -3.229 269 HG2 LYS 39 1HG LYS 39 11.920 15.266 -5.279 270 HG3 LYS 39 2HG LYS 39 10.185 14.940 -5.313 271 HD2 LYS 39 1HD LYS 39 11.055 17.532 -4.167 272 HD3 LYS 39 2HD LYS 39 11.218 17.329 -5.913 273 HE2 LYS 39 1HE LYS 39 8.653 16.522 -4.648 274 HE3 LYS 39 2HE LYS 39 8.990 18.245 -4.798 275 HZ1 LYS 39 3HZ LYS 39 7.947 16.631 -6.736 276 HZ2 LYS 39 1HZ LYS 39 9.560 16.824 -7.208 277 HZ3 LYS 39 2HZ LYS 39 8.582 18.182 -6.967 278 HA PRO 40 HA PRO 40 8.182 10.870 -3.654 279 HB2 PRO 40 1HB PRO 40 5.510 10.894 -3.177 280 HB3 PRO 40 2HB PRO 40 6.709 10.609 -1.910 281 HG2 PRO 40 1HG PRO 40 5.244 13.127 -2.599 282 HG3 PRO 40 2HG PRO 40 5.588 12.433 -1.003 283 HD2 PRO 40 1HD PRO 40 7.038 14.465 -2.053 284 HD3 PRO 40 2HD PRO 40 7.747 13.242 -0.979 285 H SER 41 H SER 41 8.274 10.704 -5.812 286 HA SER 41 HA SER 41 6.905 12.472 -7.583 287 HB2 SER 41 1HB SER 41 7.749 10.923 -9.360 288 HB3 SER 41 2HB SER 41 9.011 11.511 -8.278 289 HG SER 41 HG SER 41 9.150 9.247 -8.650 290 H GLY 42 H GLY 42 5.472 11.634 -9.357 291 HA2 GLY 42 1HA GLY 42 3.695 9.488 -8.392 292 HA3 GLY 42 2HA GLY 42 3.031 11.034 -8.898 293 HA PRO 43 HA PRO 43 4.827 8.951 -12.884 294 HB2 PRO 43 1HB PRO 43 5.569 6.350 -12.651 295 HB3 PRO 43 2HB PRO 43 6.686 7.695 -12.388 296 HG2 PRO 43 1HG PRO 43 5.198 6.047 -10.379 297 HG3 PRO 43 2HG PRO 43 6.883 6.599 -10.346 298 HD2 PRO 43 1HD PRO 43 4.920 7.828 -8.943 299 HD3 PRO 43 2HD PRO 43 6.310 8.707 -9.611 300 H SER 44 H SER 44 2.536 7.907 -10.714 301 HA SER 44 HA SER 44 1.056 6.495 -12.833 302 HB2 SER 44 1HB SER 44 1.098 5.827 -9.880 303 HB3 SER 44 2HB SER 44 0.022 5.086 -11.064 304 HG SER 44 HG SER 44 2.747 5.056 -11.630 305 H SER 45 H SER 45 0.919 9.255 -12.350 306 HA SER 45 HA SER 45 -1.215 9.974 -10.637 307 HB2 SER 45 1HB SER 45 -0.007 11.374 -13.029 308 HB3 SER 45 2HB SER 45 -1.236 12.099 -11.993 309 HG SER 45 HG SER 45 0.195 11.953 -10.262 310 H GLY 46 H GLY 46 -2.913 8.521 -11.055 311 HA2 GLY 46 1HA GLY 46 -4.931 9.386 -12.733 312 HA3 GLY 46 2HA GLY 46 -4.042 8.177 -13.648 Start of MODEL 19 1 H1 GLY 1 H GLY 1 11.166 -25.107 4.391 2 HA2 GLY 1 1HA GLY 1 13.154 -25.821 5.805 3 HA3 GLY 1 2HA GLY 1 14.110 -25.310 4.422 4 H SER 2 H SER 2 11.522 -24.022 6.511 5 HA SER 2 HA SER 2 13.136 -21.692 7.100 6 HB2 SER 2 1HB SER 2 10.502 -21.439 5.630 7 HB3 SER 2 2HB SER 2 11.377 -20.094 6.363 8 HG SER 2 HG SER 2 13.177 -21.123 4.928 9 H SER 3 H SER 3 12.881 -21.250 9.179 10 HA SER 3 HA SER 3 10.793 -22.489 10.707 11 HB2 SER 3 1HB SER 3 13.171 -20.784 11.335 12 HB3 SER 3 2HB SER 3 11.910 -20.970 12.553 13 HG SER 3 HG SER 3 13.591 -22.559 12.699 14 H GLY 4 H GLY 4 11.607 -19.171 9.762 15 HA2 GLY 4 1HA GLY 4 9.812 -17.695 11.193 16 HA3 GLY 4 2HA GLY 4 10.239 -17.331 9.528 17 H SER 5 H SER 5 7.681 -17.049 11.006 18 HA SER 5 HA SER 5 5.979 -18.901 9.491 19 HB2 SER 5 1HB SER 5 5.805 -18.428 12.084 20 HB3 SER 5 2HB SER 5 4.883 -17.024 11.548 21 HG SER 5 HG SER 5 4.203 -19.414 10.342 22 H SER 6 H SER 6 3.753 -17.780 8.955 23 HA SER 6 HA SER 6 4.086 -15.055 7.993 24 HB2 SER 6 1HB SER 6 4.959 -16.542 6.176 25 HB3 SER 6 2HB SER 6 3.362 -17.285 6.078 26 HG SER 6 HG SER 6 4.207 -15.066 4.904 27 H GLY 7 H GLY 7 2.160 -13.963 7.698 28 HA2 GLY 7 1HA GLY 7 -0.321 -15.493 8.111 29 HA3 GLY 7 2HA GLY 7 0.030 -14.114 9.142 30 H THR 8 H THR 8 -1.816 -14.994 6.663 31 HA THR 8 HA THR 8 -1.824 -12.280 5.521 32 HB THR 8 HB THR 8 -2.564 -13.324 3.345 33 HG1 THR 8 HG1 THR 8 -2.286 -15.498 3.071 34 HG21 THR 8 3HG2 THR 8 0.185 -13.687 4.482 35 HG22 THR 8 1HG2 THR 8 -0.385 -12.510 3.299 36 HG23 THR 8 2HG2 THR 8 -0.176 -14.199 2.833 37 H GLY 9 H GLY 9 -3.947 -11.887 4.289 38 HA2 GLY 9 1HA GLY 9 -6.204 -13.278 5.555 39 HA3 GLY 9 2HA GLY 9 -6.089 -11.532 5.718 40 H GLU 10 H GLU 10 -5.257 -13.440 2.866 41 HA GLU 10 HA GLU 10 -5.863 -13.034 0.676 42 HB2 GLU 10 1HB GLU 10 -8.301 -13.857 2.197 43 HB3 GLU 10 2HB GLU 10 -8.466 -13.429 0.500 44 HG2 GLU 10 1HG GLU 10 -6.983 -15.160 -0.166 45 HG3 GLU 10 2HG GLU 10 -6.514 -15.482 1.502 46 H LYS 11 H LYS 11 -5.403 -10.602 1.741 47 HA LYS 11 HA LYS 11 -7.717 -8.901 1.263 48 HB2 LYS 11 1HB LYS 11 -5.843 -8.652 3.108 49 HB3 LYS 11 2HB LYS 11 -4.987 -7.817 1.819 50 HG2 LYS 11 1HG LYS 11 -6.108 -6.165 3.080 51 HG3 LYS 11 2HG LYS 11 -7.006 -6.344 1.571 52 HD2 LYS 11 1HD LYS 11 -8.635 -6.247 3.275 53 HD3 LYS 11 2HD LYS 11 -8.516 -7.951 2.829 54 HE2 LYS 11 1HE LYS 11 -7.142 -8.407 4.753 55 HE3 LYS 11 2HE LYS 11 -7.071 -6.692 5.157 56 HZ1 LYS 11 3HZ LYS 11 -8.734 -7.329 6.535 57 HZ2 LYS 11 1HZ LYS 11 -9.241 -8.605 5.547 58 HZ3 LYS 11 2HZ LYS 11 -9.677 -7.016 5.165 59 HA PRO 12 HA PRO 12 -6.623 -8.196 -2.966 60 HB2 PRO 12 1HB PRO 12 -8.270 -6.082 -3.397 61 HB3 PRO 12 2HB PRO 12 -8.852 -7.748 -3.298 62 HG2 PRO 12 1HG PRO 12 -8.868 -5.608 -1.204 63 HG3 PRO 12 2HG PRO 12 -10.140 -6.769 -1.628 64 HD2 PRO 12 1HD PRO 12 -8.509 -7.109 0.507 65 HD3 PRO 12 2HD PRO 12 -9.160 -8.473 -0.424 66 H TYR 13 H TYR 13 -5.958 -6.152 -0.361 67 HA TYR 13 HA TYR 13 -4.390 -4.353 -2.092 68 HB2 TYR 13 1HB TYR 13 -5.589 -3.724 0.613 69 HB3 TYR 13 2HB TYR 13 -4.637 -2.621 -0.374 70 HD1 TYR 13 HD1 TYR 13 -5.582 -1.629 -2.397 71 HD2 TYR 13 HD2 TYR 13 -7.894 -4.212 0.070 72 HE1 TYR 13 HE1 TYR 13 -7.630 -0.856 -3.518 73 HE2 TYR 13 HE2 TYR 13 -9.949 -3.447 -1.045 74 HH TYR 13 HH TYR 13 -9.915 -0.801 -3.344 75 H LYS 14 H LYS 14 -2.322 -4.912 -1.999 76 HA LYS 14 HA LYS 14 -1.107 -5.356 0.632 77 HB2 LYS 14 1HB LYS 14 -1.390 -7.582 -0.156 78 HB3 LYS 14 2HB LYS 14 -0.859 -7.152 -1.776 79 HG2 LYS 14 1HG LYS 14 1.367 -7.108 -1.182 80 HG3 LYS 14 2HG LYS 14 1.013 -6.834 0.525 81 HD2 LYS 14 1HD LYS 14 0.086 -9.376 -0.708 82 HD3 LYS 14 2HD LYS 14 1.810 -9.194 -0.374 83 HE2 LYS 14 1HE LYS 14 1.478 -9.027 1.914 84 HE3 LYS 14 2HE LYS 14 -0.205 -8.536 1.735 85 HZ1 LYS 14 3HZ LYS 14 0.230 -10.880 2.541 86 HZ2 LYS 14 1HZ LYS 14 0.724 -11.235 0.963 87 HZ3 LYS 14 2HZ LYS 14 -0.858 -10.714 1.256 88 H CYS 15 H CYS 15 0.544 -4.019 0.906 89 HA CYS 15 HA CYS 15 1.514 -2.297 -1.073 90 HB2 CYS 15 1HB CYS 15 1.655 -1.984 1.435 91 HB3 CYS 15 2HB CYS 15 3.015 -3.102 1.422 92 H ASN 16 H ASN 16 2.665 -2.808 -2.806 93 HA ASN 16 HA ASN 16 4.232 -5.225 -2.917 94 HB2 ASN 16 1HB ASN 16 3.606 -3.043 -4.897 95 HB3 ASN 16 2HB ASN 16 4.782 -4.304 -5.258 96 HD21 ASN 16 1HD2 ASN 16 3.412 -4.934 -6.988 97 HD22 ASN 16 2HD2 ASN 16 2.012 -5.903 -6.693 98 H GLU 17 H GLU 17 5.208 -3.504 -0.955 99 HA GLU 17 HA GLU 17 7.852 -2.870 -2.069 100 HB2 GLU 17 1HB GLU 17 6.845 -0.730 -1.838 101 HB3 GLU 17 2HB GLU 17 6.166 -1.138 -0.269 102 HG2 GLU 17 1HG GLU 17 7.917 0.167 0.369 103 HG3 GLU 17 2HG GLU 17 8.683 -1.421 0.400 104 H CYS 18 H CYS 18 6.057 -3.151 1.000 105 HA CYS 18 HA CYS 18 8.422 -4.451 2.173 106 HB2 CYS 18 1HB CYS 18 7.301 -3.913 4.371 107 HB3 CYS 18 2HB CYS 18 7.825 -2.516 3.436 108 H GLY 19 H GLY 19 4.862 -4.637 2.162 109 HA2 GLY 19 1HA GLY 19 3.978 -6.895 1.556 110 HA3 GLY 19 2HA GLY 19 5.130 -7.527 2.723 111 H LYS 20 H LYS 20 2.531 -5.088 2.588 112 HA LYS 20 HA LYS 20 1.338 -6.305 4.962 113 HB2 LYS 20 1HB LYS 20 2.293 -3.462 4.750 114 HB3 LYS 20 2HB LYS 20 0.970 -3.893 5.825 115 HG2 LYS 20 1HG LYS 20 2.320 -5.046 7.258 116 HG3 LYS 20 2HG LYS 20 3.489 -5.457 6.001 117 HD2 LYS 20 1HD LYS 20 4.244 -3.116 5.964 118 HD3 LYS 20 2HD LYS 20 3.100 -2.738 7.254 119 HE2 LYS 20 1HE LYS 20 5.165 -4.891 7.576 120 HE3 LYS 20 2HE LYS 20 5.550 -3.199 7.887 121 HZ1 LYS 20 3HZ LYS 20 4.887 -3.864 9.948 122 HZ2 LYS 20 1HZ LYS 20 3.780 -5.004 9.366 123 HZ3 LYS 20 2HZ LYS 20 3.393 -3.358 9.336 124 H VAL 21 H VAL 21 -0.824 -6.387 4.856 125 HA VAL 21 HA VAL 21 -2.127 -4.979 2.630 126 HB VAL 21 HB VAL 21 -4.017 -6.622 3.095 127 HG11 VAL 21 1HG1 VAL 21 -1.485 -6.998 1.754 128 HG12 VAL 21 2HG1 VAL 21 -2.185 -8.539 2.255 129 HG13 VAL 21 3HG1 VAL 21 -3.111 -7.439 1.233 130 HG21 VAL 21 3HG2 VAL 21 -2.777 -7.171 5.384 131 HG22 VAL 21 1HG2 VAL 21 -3.780 -8.357 4.548 132 HG23 VAL 21 2HG2 VAL 21 -2.026 -8.409 4.377 133 H PHE 22 H PHE 22 -4.169 -3.973 2.943 134 HA PHE 22 HA PHE 22 -4.832 -3.337 5.736 135 HB2 PHE 22 1HB PHE 22 -4.774 -1.342 3.462 136 HB3 PHE 22 2HB PHE 22 -5.221 -1.004 5.131 137 HD1 PHE 22 HD2 PHE 22 -2.425 -1.957 2.920 138 HD2 PHE 22 HD1 PHE 22 -3.586 -0.564 6.771 139 HE1 PHE 22 HE2 PHE 22 -0.075 -1.442 3.438 140 HE2 PHE 22 HE1 PHE 22 -1.238 -0.046 7.295 141 HZ PHE 22 HZ PHE 22 0.521 -0.487 5.629 142 H THR 23 H THR 23 -6.933 -3.489 6.225 143 HA THR 23 HA THR 23 -8.779 -4.668 4.508 144 HB THR 23 HB THR 23 -9.099 -4.788 6.897 145 HG1 THR 23 HG1 THR 23 -11.187 -3.267 5.684 146 HG21 THR 23 3HG2 THR 23 -10.125 -2.518 7.875 147 HG22 THR 23 1HG2 THR 23 -9.018 -1.832 6.687 148 HG23 THR 23 2HG2 THR 23 -8.404 -2.895 7.953 149 H GLN 24 H GLN 24 -7.858 -1.365 4.842 150 HA GLN 24 HA GLN 24 -10.037 -0.585 3.019 151 HB2 GLN 24 1HB GLN 24 -8.922 0.768 5.424 152 HB3 GLN 24 2HB GLN 24 -9.410 1.783 4.072 153 HG2 GLN 24 1HG GLN 24 -11.641 1.133 4.230 154 HG3 GLN 24 2HG GLN 24 -11.253 -0.287 5.200 155 HE21 GLN 24 1HE2 GLN 24 -12.870 2.375 5.459 156 HE22 GLN 24 2HE2 GLN 24 -12.508 2.870 7.074 157 H ASN 25 H ASN 25 -9.535 0.996 1.421 158 HA ASN 25 HA ASN 25 -6.983 0.637 0.235 159 HB2 ASN 25 1HB ASN 25 -8.692 1.009 -1.311 160 HB3 ASN 25 2HB ASN 25 -9.371 2.346 -0.386 161 HD21 ASN 25 1HD2 ASN 25 -9.374 3.569 -2.322 162 HD22 ASN 25 2HD2 ASN 25 -7.922 4.301 -2.906 163 H SER 26 H SER 26 -8.546 3.534 1.608 164 HA SER 26 HA SER 26 -6.467 5.319 1.360 165 HB2 SER 26 1HB SER 26 -7.451 6.490 3.337 166 HB3 SER 26 2HB SER 26 -8.650 6.037 2.126 167 HG SER 26 HG SER 26 -8.763 5.478 4.637 168 H HIS 27 H HIS 27 -6.782 2.652 3.553 169 HA HIS 27 HA HIS 27 -4.830 3.483 5.446 170 HB2 HIS 27 1HB HIS 27 -6.036 0.806 4.766 171 HB3 HIS 27 2HB HIS 27 -4.796 0.984 6.004 172 HD1 HIS 27 HD1 HIS 27 -6.565 0.173 7.763 173 HD2 HIS 27 HD2 HIS 27 -7.474 3.772 5.897 174 HE1 HIS 27 HE1 HIS 27 -8.389 1.208 9.151 175 H LEU 28 H LEU 28 -4.709 1.723 2.418 176 HA LEU 28 HA LEU 28 -1.932 0.993 2.748 177 HB2 LEU 28 1HB LEU 28 -3.154 -0.582 1.541 178 HB3 LEU 28 2HB LEU 28 -3.966 0.650 0.578 179 HG LEU 28 HG LEU 28 -1.698 1.091 -0.490 180 HD11 LEU 28 1HD1 LEU 28 -0.635 -1.494 -0.188 181 HD12 LEU 28 2HD1 LEU 28 -0.948 -0.884 1.437 182 HD13 LEU 28 3HD1 LEU 28 0.069 0.038 0.330 183 HD21 LEU 28 3HD2 LEU 28 -3.545 -0.105 -1.592 184 HD22 LEU 28 1HD2 LEU 28 -2.953 -1.620 -0.909 185 HD23 LEU 28 2HD2 LEU 28 -1.964 -0.729 -2.067 186 H VAL 29 H VAL 29 -3.724 3.016 0.417 187 HA VAL 29 HA VAL 29 -1.699 4.128 -1.003 188 HB VAL 29 HB VAL 29 -4.147 4.629 -1.270 189 HG11 VAL 29 1HG1 VAL 29 -4.453 5.272 1.145 190 HG12 VAL 29 2HG1 VAL 29 -3.657 6.799 0.759 191 HG13 VAL 29 3HG1 VAL 29 -5.176 6.371 -0.029 192 HG21 VAL 29 3HG2 VAL 29 -1.895 6.183 -1.898 193 HG22 VAL 29 1HG2 VAL 29 -3.463 6.180 -2.706 194 HG23 VAL 29 2HG2 VAL 29 -3.148 7.316 -1.394 195 H ARG 30 H ARG 30 -2.848 5.267 2.162 196 HA ARG 30 HA ARG 30 -0.952 7.375 2.361 197 HB2 ARG 30 1HB ARG 30 -2.999 7.476 3.639 198 HB3 ARG 30 2HB ARG 30 -2.610 5.970 4.459 199 HG2 ARG 30 1HG ARG 30 -0.702 8.234 4.699 200 HG3 ARG 30 2HG ARG 30 -2.218 8.306 5.601 201 HD2 ARG 30 1HD ARG 30 -0.625 5.797 5.711 202 HD3 ARG 30 2HD ARG 30 -0.044 7.194 6.617 203 HE ARG 30 HE ARG 30 -2.752 6.857 7.199 204 HH11 ARG 30 1HH1 ARG 30 0.270 5.193 7.670 205 HH12 ARG 30 2HH1 ARG 30 -0.233 4.424 9.139 206 HH21 ARG 30 1HH2 ARG 30 -3.425 5.851 9.132 207 HH22 ARG 30 2HH2 ARG 30 -2.335 4.798 9.969 208 H HIS 31 H HIS 31 -1.050 4.048 3.552 209 HA HIS 31 HA HIS 31 1.136 4.026 5.227 210 HB2 HIS 31 1HB HIS 31 0.002 2.015 5.218 211 HB3 HIS 31 2HB HIS 31 -0.128 1.974 3.462 212 HD1 HIS 31 HD1 HIS 31 2.253 1.188 6.258 213 HD2 HIS 31 HD2 HIS 31 1.946 0.687 2.145 214 HE1 HIS 31 HE1 HIS 31 4.106 -0.394 5.634 215 H ARG 32 H ARG 32 1.147 3.348 1.726 216 HA ARG 32 HA ARG 32 3.699 2.807 1.167 217 HB2 ARG 32 1HB ARG 32 1.754 4.596 -0.235 218 HB3 ARG 32 2HB ARG 32 3.398 4.471 -0.848 219 HG2 ARG 32 1HG ARG 32 3.164 2.206 -1.357 220 HG3 ARG 32 2HG ARG 32 1.738 2.032 -0.331 221 HD2 ARG 32 1HD ARG 32 0.718 2.121 -2.366 222 HD3 ARG 32 2HD ARG 32 0.770 3.844 -1.999 223 HE ARG 32 HE ARG 32 2.339 4.134 -3.665 224 HH11 ARG 32 1HH1 ARG 32 1.803 0.741 -3.098 225 HH12 ARG 32 2HH1 ARG 32 2.662 0.235 -4.515 226 HH21 ARG 32 1HH2 ARG 32 3.473 3.481 -5.533 227 HH22 ARG 32 2HH2 ARG 32 3.612 1.794 -5.899 228 H GLY 33 H GLY 33 2.527 5.895 2.316 229 HA2 GLY 33 1HA GLY 33 4.583 7.613 1.727 230 HA3 GLY 33 2HA GLY 33 3.671 7.671 3.228 231 H ILE 34 H ILE 34 4.452 5.362 4.477 232 HA ILE 34 HA ILE 34 6.673 5.994 5.877 233 HB ILE 34 HB ILE 34 6.945 3.655 6.475 234 HG12 ILE 34 1HG1 ILE 34 4.839 2.818 4.526 235 HG13 ILE 34 2HG1 ILE 34 6.494 2.994 3.953 236 HG21 ILE 34 1HG2 ILE 34 5.133 4.769 7.548 237 HG22 ILE 34 2HG2 ILE 34 4.089 4.547 6.145 238 HG23 ILE 34 3HG2 ILE 34 4.574 3.154 7.112 239 HD11 ILE 34 3HD1 ILE 34 7.274 1.321 5.425 240 HD12 ILE 34 1HD1 ILE 34 5.756 1.302 6.320 241 HD13 ILE 34 2HD1 ILE 34 5.813 0.688 4.668 242 H HIS 35 H HIS 35 6.586 4.700 2.657 243 HA HIS 35 HA HIS 35 9.450 4.162 2.644 244 HB2 HIS 35 1HB HIS 35 7.475 3.913 0.368 245 HB3 HIS 35 2HB HIS 35 9.103 3.243 0.434 246 HD1 HIS 35 HD1 HIS 35 9.401 1.444 2.535 247 HD2 HIS 35 HD2 HIS 35 5.575 2.126 1.067 248 HE1 HIS 35 HE1 HIS 35 8.030 -0.524 3.291 249 H THR 36 H THR 36 9.451 6.660 3.163 250 HA THR 36 HA THR 36 10.102 7.982 0.629 251 HB THR 36 HB THR 36 9.138 10.133 1.634 252 HG1 THR 36 HG1 THR 36 8.203 8.193 3.420 253 HG21 THR 36 3HG2 THR 36 8.060 8.227 -0.043 254 HG22 THR 36 1HG2 THR 36 7.424 9.850 0.219 255 HG23 THR 36 2HG2 THR 36 6.781 8.492 1.141 256 H GLY 37 H GLY 37 12.242 8.243 0.838 257 HA2 GLY 37 1HA GLY 37 13.652 8.482 3.247 258 HA3 GLY 37 2HA GLY 37 14.263 8.946 1.666 259 H GLU 38 H GLU 38 13.476 10.051 4.701 260 HA GLU 38 HA GLU 38 12.816 12.759 3.840 261 HB2 GLU 38 1HB GLU 38 11.795 11.420 5.866 262 HB3 GLU 38 2HB GLU 38 13.223 12.009 6.704 263 HG2 GLU 38 1HG GLU 38 11.701 13.641 7.204 264 HG3 GLU 38 2HG GLU 38 12.480 14.322 5.777 265 H LYS 39 H LYS 39 15.354 11.923 3.072 266 HA LYS 39 HA LYS 39 17.530 12.587 3.066 267 HB2 LYS 39 1HB LYS 39 16.268 14.850 4.603 268 HB3 LYS 39 2HB LYS 39 17.986 14.825 4.228 269 HG2 LYS 39 1HG LYS 39 15.924 14.521 2.077 270 HG3 LYS 39 2HG LYS 39 16.419 16.111 2.666 271 HD2 LYS 39 1HD LYS 39 18.530 14.158 1.891 272 HD3 LYS 39 2HD LYS 39 17.623 14.969 0.613 273 HE2 LYS 39 1HE LYS 39 18.909 16.482 2.867 274 HE3 LYS 39 2HE LYS 39 19.791 16.066 1.399 275 HZ1 LYS 39 3HZ LYS 39 17.415 17.169 0.552 276 HZ2 LYS 39 1HZ LYS 39 18.943 17.892 0.508 277 HZ3 LYS 39 2HZ LYS 39 17.921 18.156 1.829 278 HA PRO 40 HA PRO 40 17.921 10.898 7.466 279 HB2 PRO 40 1HB PRO 40 18.589 8.357 6.781 280 HB3 PRO 40 2HB PRO 40 16.918 8.878 7.027 281 HG2 PRO 40 1HG PRO 40 18.437 8.530 4.471 282 HG3 PRO 40 2HG PRO 40 16.771 8.058 4.856 283 HD2 PRO 40 1HD PRO 40 17.363 10.295 3.451 284 HD3 PRO 40 2HD PRO 40 15.958 10.190 4.531 285 H SER 41 H SER 41 19.810 11.811 8.048 286 HA SER 41 HA SER 41 22.201 11.507 6.467 287 HB2 SER 41 1HB SER 41 21.867 12.750 9.207 288 HB3 SER 41 2HB SER 41 23.251 12.944 8.131 289 HG SER 41 HG SER 41 21.905 14.021 6.672 290 H GLY 42 H GLY 42 22.490 9.227 6.531 291 HA2 GLY 42 1HA GLY 42 24.090 8.374 8.777 292 HA3 GLY 42 2HA GLY 42 22.567 7.509 8.628 293 HA PRO 43 HA PRO 43 26.003 5.737 5.850 294 HB2 PRO 43 1HB PRO 43 26.580 3.520 7.306 295 HB3 PRO 43 2HB PRO 43 27.430 5.055 7.517 296 HG2 PRO 43 1HG PRO 43 25.196 3.890 9.133 297 HG3 PRO 43 2HG PRO 43 26.665 4.715 9.686 298 HD2 PRO 43 1HD PRO 43 24.261 5.954 9.554 299 HD3 PRO 43 2HD PRO 43 25.793 6.810 9.282 300 H SER 44 H SER 44 22.959 5.115 6.939 301 HA SER 44 HA SER 44 21.326 3.572 6.475 302 HB2 SER 44 1HB SER 44 22.759 4.038 3.875 303 HB3 SER 44 2HB SER 44 21.387 2.932 3.952 304 HG SER 44 HG SER 44 20.761 5.080 3.427 305 H SER 45 H SER 45 23.455 2.354 7.772 306 HA SER 45 HA SER 45 24.675 0.179 6.641 307 HB2 SER 45 1HB SER 45 23.535 0.556 9.408 308 HB3 SER 45 2HB SER 45 24.433 -0.892 8.957 309 HG SER 45 HG SER 45 26.215 0.205 9.100 310 H GLY 46 H GLY 46 21.437 0.224 8.132 311 HA2 GLY 46 1HA GLY 46 19.578 -0.917 7.151 312 HA3 GLY 46 2HA GLY 46 20.706 -2.029 6.390 Start of MODEL 20 1 H1 GLY 1 H GLY 1 18.184 -16.293 17.131 2 HA2 GLY 1 1HA GLY 1 17.988 -14.584 14.986 3 HA3 GLY 1 2HA GLY 1 17.600 -16.168 14.333 4 H SER 2 H SER 2 15.712 -14.247 14.190 5 HA SER 2 HA SER 2 13.798 -15.003 16.301 6 HB2 SER 2 1HB SER 2 14.517 -12.566 16.249 7 HB3 SER 2 2HB SER 2 13.693 -12.446 14.695 8 HG SER 2 HG SER 2 12.653 -12.612 17.243 9 H SER 3 H SER 3 11.828 -15.753 15.701 10 HA SER 3 HA SER 3 11.111 -15.686 12.857 11 HB2 SER 3 1HB SER 3 12.182 -17.852 13.221 12 HB3 SER 3 2HB SER 3 11.115 -18.172 14.588 13 HG SER 3 HG SER 3 10.480 -19.139 12.535 14 H GLY 4 H GLY 4 8.886 -15.820 12.420 15 HA2 GLY 4 1HA GLY 4 6.684 -16.423 13.612 16 HA3 GLY 4 2HA GLY 4 7.206 -15.195 14.755 17 H SER 5 H SER 5 5.667 -15.819 11.770 18 HA SER 5 HA SER 5 5.131 -12.955 11.464 19 HB2 SER 5 1HB SER 5 5.594 -12.933 9.138 20 HB3 SER 5 2HB SER 5 6.972 -13.747 9.877 21 HG SER 5 HG SER 5 6.509 -15.230 8.450 22 H SER 6 H SER 6 3.189 -12.477 10.286 23 HA SER 6 HA SER 6 1.172 -14.545 10.658 24 HB2 SER 6 1HB SER 6 -0.447 -12.804 10.511 25 HB3 SER 6 2HB SER 6 0.886 -12.147 11.459 26 HG SER 6 HG SER 6 -0.046 -11.412 8.975 27 H GLY 7 H GLY 7 0.266 -15.674 9.057 28 HA2 GLY 7 1HA GLY 7 0.727 -14.745 6.289 29 HA3 GLY 7 2HA GLY 7 0.861 -16.435 6.751 30 H THR 8 H THR 8 -1.359 -16.753 8.347 31 HA THR 8 HA THR 8 -3.363 -17.411 6.620 32 HB THR 8 HB THR 8 -3.850 -16.437 9.440 33 HG1 THR 8 HG1 THR 8 -3.665 -18.882 9.725 34 HG21 THR 8 3HG2 THR 8 -5.362 -18.319 7.630 35 HG22 THR 8 1HG2 THR 8 -5.912 -16.761 8.246 36 HG23 THR 8 2HG2 THR 8 -5.693 -18.119 9.350 37 H GLY 9 H GLY 9 -5.087 -16.440 5.663 38 HA2 GLY 9 1HA GLY 9 -6.732 -14.701 5.503 39 HA3 GLY 9 2HA GLY 9 -5.602 -13.611 6.293 40 H GLU 10 H GLU 10 -7.119 -13.647 3.629 41 HA GLU 10 HA GLU 10 -4.785 -13.004 1.948 42 HB2 GLU 10 1HB GLU 10 -5.948 -13.773 0.008 43 HB3 GLU 10 2HB GLU 10 -6.049 -15.044 1.218 44 HG2 GLU 10 1HG GLU 10 -8.319 -14.327 1.778 45 HG3 GLU 10 2HG GLU 10 -8.217 -13.065 0.551 46 H LYS 11 H LYS 11 -4.718 -11.020 1.084 47 HA LYS 11 HA LYS 11 -7.173 -9.405 1.064 48 HB2 LYS 11 1HB LYS 11 -5.477 -8.983 3.024 49 HB3 LYS 11 2HB LYS 11 -4.558 -8.135 1.786 50 HG2 LYS 11 1HG LYS 11 -5.852 -6.502 2.875 51 HG3 LYS 11 2HG LYS 11 -6.647 -6.795 1.326 52 HD2 LYS 11 1HD LYS 11 -8.375 -6.719 2.934 53 HD3 LYS 11 2HD LYS 11 -8.142 -8.429 2.561 54 HE2 LYS 11 1HE LYS 11 -8.361 -8.213 4.931 55 HE3 LYS 11 2HE LYS 11 -6.677 -8.590 4.574 56 HZ1 LYS 11 3HZ LYS 11 -6.433 -6.882 6.044 57 HZ2 LYS 11 1HZ LYS 11 -7.852 -6.095 5.566 58 HZ3 LYS 11 2HZ LYS 11 -6.467 -6.000 4.601 59 HA PRO 12 HA PRO 12 -5.872 -8.669 -3.103 60 HB2 PRO 12 1HB PRO 12 -7.671 -6.718 -3.678 61 HB3 PRO 12 2HB PRO 12 -8.106 -8.429 -3.585 62 HG2 PRO 12 1HG PRO 12 -8.450 -6.273 -1.537 63 HG3 PRO 12 2HG PRO 12 -9.583 -7.549 -2.020 64 HD2 PRO 12 1HD PRO 12 -8.071 -7.714 0.221 65 HD3 PRO 12 2HD PRO 12 -8.535 -9.143 -0.725 66 H TYR 13 H TYR 13 -6.001 -6.235 -0.616 67 HA TYR 13 HA TYR 13 -4.356 -4.423 -2.240 68 HB2 TYR 13 1HB TYR 13 -6.083 -4.013 0.185 69 HB3 TYR 13 2HB TYR 13 -4.838 -2.844 -0.239 70 HD1 TYR 13 HD2 TYR 13 -7.258 -4.786 -2.322 71 HD2 TYR 13 HD1 TYR 13 -5.860 -0.958 -1.098 72 HE1 TYR 13 HE2 TYR 13 -8.806 -3.720 -3.908 73 HE2 TYR 13 HE1 TYR 13 -7.405 0.118 -2.680 74 HH TYR 13 HH TYR 13 -8.568 -0.768 -5.009 75 H LYS 14 H LYS 14 -2.362 -5.425 -2.043 76 HA LYS 14 HA LYS 14 -1.193 -5.352 0.661 77 HB2 LYS 14 1HB LYS 14 -1.541 -7.675 -0.182 78 HB3 LYS 14 2HB LYS 14 -0.477 -7.305 -1.533 79 HG2 LYS 14 1HG LYS 14 1.402 -7.088 -0.122 80 HG3 LYS 14 2HG LYS 14 0.398 -7.060 1.330 81 HD2 LYS 14 1HD LYS 14 -0.355 -9.420 0.517 82 HD3 LYS 14 2HD LYS 14 1.137 -9.366 -0.426 83 HE2 LYS 14 1HE LYS 14 2.472 -9.203 1.505 84 HE3 LYS 14 2HE LYS 14 1.093 -8.791 2.523 85 HZ1 LYS 14 3HZ LYS 14 2.134 -11.346 1.886 86 HZ2 LYS 14 1HZ LYS 14 0.515 -11.249 1.405 87 HZ3 LYS 14 2HZ LYS 14 0.940 -10.933 3.011 88 H CYS 15 H CYS 15 0.569 -4.129 0.882 89 HA CYS 15 HA CYS 15 1.520 -2.539 -1.261 90 HB2 CYS 15 1HB CYS 15 1.556 -1.782 1.082 91 HB3 CYS 15 2HB CYS 15 2.751 -3.018 1.461 92 H ASN 16 H ASN 16 2.973 -2.998 -2.769 93 HA ASN 16 HA ASN 16 4.370 -5.493 -2.768 94 HB2 ASN 16 1HB ASN 16 3.483 -4.333 -4.820 95 HB3 ASN 16 2HB ASN 16 4.782 -3.157 -4.642 96 HD21 ASN 16 1HD2 ASN 16 3.898 -5.804 -6.280 97 HD22 ASN 16 2HD2 ASN 16 5.447 -6.474 -6.649 98 H GLU 17 H GLU 17 5.080 -2.314 -1.685 99 HA GLU 17 HA GLU 17 7.884 -2.308 -1.926 100 HB2 GLU 17 1HB GLU 17 6.300 -0.968 0.266 101 HB3 GLU 17 2HB GLU 17 7.871 -0.492 -0.363 102 HG2 GLU 17 1HG GLU 17 5.319 -0.452 -1.955 103 HG3 GLU 17 2HG GLU 17 6.006 0.943 -1.124 104 H CYS 18 H CYS 18 5.819 -3.147 0.854 105 HA CYS 18 HA CYS 18 8.082 -4.691 1.943 106 HB2 CYS 18 1HB CYS 18 7.003 -4.297 4.190 107 HB3 CYS 18 2HB CYS 18 7.680 -2.863 3.425 108 H GLY 19 H GLY 19 4.522 -4.490 1.927 109 HA2 GLY 19 1HA GLY 19 3.448 -6.587 1.039 110 HA3 GLY 19 2HA GLY 19 4.467 -7.432 2.194 111 H LYS 20 H LYS 20 2.796 -4.386 2.773 112 HA LYS 20 HA LYS 20 1.398 -5.647 5.009 113 HB2 LYS 20 1HB LYS 20 2.760 -3.442 5.139 114 HB3 LYS 20 2HB LYS 20 1.351 -2.708 4.382 115 HG2 LYS 20 1HG LYS 20 0.790 -2.366 6.545 116 HG3 LYS 20 2HG LYS 20 0.114 -3.987 6.358 117 HD2 LYS 20 1HD LYS 20 2.527 -4.725 7.097 118 HD3 LYS 20 2HD LYS 20 2.576 -3.103 7.791 119 HE2 LYS 20 1HE LYS 20 0.381 -5.099 8.321 120 HE3 LYS 20 2HE LYS 20 1.793 -4.892 9.356 121 HZ1 LYS 20 3HZ LYS 20 -0.232 -2.810 8.734 122 HZ2 LYS 20 1HZ LYS 20 1.142 -2.578 9.693 123 HZ3 LYS 20 2HZ LYS 20 -0.073 -3.638 10.201 124 H VAL 21 H VAL 21 -0.691 -6.143 4.925 125 HA VAL 21 HA VAL 21 -2.263 -5.203 2.637 126 HB VAL 21 HB VAL 21 -3.862 -6.995 3.264 127 HG11 VAL 21 1HG1 VAL 21 -2.678 -8.662 2.204 128 HG12 VAL 21 2HG1 VAL 21 -1.740 -7.236 1.756 129 HG13 VAL 21 3HG1 VAL 21 -1.180 -8.289 3.056 130 HG21 VAL 21 3HG2 VAL 21 -2.186 -8.574 4.925 131 HG22 VAL 21 1HG2 VAL 21 -2.355 -6.984 5.669 132 HG23 VAL 21 2HG2 VAL 21 -3.790 -7.931 5.277 133 H PHE 22 H PHE 22 -4.326 -4.309 2.884 134 HA PHE 22 HA PHE 22 -5.169 -3.585 5.590 135 HB2 PHE 22 1HB PHE 22 -5.038 -1.529 3.384 136 HB3 PHE 22 2HB PHE 22 -5.400 -1.261 5.086 137 HD1 PHE 22 HD2 PHE 22 -2.703 -2.356 2.784 138 HD2 PHE 22 HD1 PHE 22 -3.706 -0.719 6.583 139 HE1 PHE 22 HE2 PHE 22 -0.323 -1.901 3.213 140 HE2 PHE 22 HE1 PHE 22 -1.328 -0.261 7.018 141 HZ PHE 22 HZ PHE 22 0.367 -0.853 5.332 142 H THR 23 H THR 23 -7.390 -2.954 5.747 143 HA THR 23 HA THR 23 -9.060 -4.364 3.867 144 HB THR 23 HB THR 23 -9.595 -4.533 6.226 145 HG1 THR 23 HG1 THR 23 -11.655 -2.910 5.178 146 HG21 THR 23 3HG2 THR 23 -8.867 -1.902 6.399 147 HG22 THR 23 1HG2 THR 23 -9.709 -2.804 7.659 148 HG23 THR 23 2HG2 THR 23 -10.623 -1.806 6.527 149 H GLN 24 H GLN 24 -8.424 -1.015 4.753 150 HA GLN 24 HA GLN 24 -10.217 -0.149 2.583 151 HB2 GLN 24 1HB GLN 24 -9.332 1.254 5.101 152 HB3 GLN 24 2HB GLN 24 -10.114 2.096 3.771 153 HG2 GLN 24 1HG GLN 24 -12.139 1.049 4.119 154 HG3 GLN 24 2HG GLN 24 -11.407 -0.307 4.975 155 HE21 GLN 24 1HE2 GLN 24 -11.746 -0.328 7.068 156 HE22 GLN 24 2HE2 GLN 24 -12.028 1.048 8.073 157 H ASN 25 H ASN 25 -9.404 0.953 0.899 158 HA ASN 25 HA ASN 25 -6.700 0.936 0.294 159 HB2 ASN 25 1HB ASN 25 -7.230 2.285 -1.601 160 HB3 ASN 25 2HB ASN 25 -8.631 1.259 -1.310 161 HD21 ASN 25 1HD2 ASN 25 -7.382 4.474 -1.302 162 HD22 ASN 25 2HD2 ASN 25 -8.885 5.285 -1.039 163 H SER 26 H SER 26 -8.670 3.616 1.543 164 HA SER 26 HA SER 26 -6.928 5.690 1.542 165 HB2 SER 26 1HB SER 26 -9.209 5.845 2.445 166 HB3 SER 26 2HB SER 26 -8.717 4.916 3.860 167 HG SER 26 HG SER 26 -7.028 6.755 3.939 168 H HIS 27 H HIS 27 -7.009 3.077 3.940 169 HA HIS 27 HA HIS 27 -4.954 4.032 5.590 170 HB2 HIS 27 1HB HIS 27 -6.055 1.284 5.061 171 HB3 HIS 27 2HB HIS 27 -4.697 1.522 6.156 172 HD1 HIS 27 HD1 HIS 27 -5.574 1.367 8.457 173 HD2 HIS 27 HD2 HIS 27 -8.141 3.486 5.971 174 HE1 HIS 27 HE1 HIS 27 -7.444 2.160 9.940 175 H LEU 28 H LEU 28 -4.781 1.539 3.042 176 HA LEU 28 HA LEU 28 -2.042 1.131 3.086 177 HB2 LEU 28 1HB LEU 28 -3.451 -0.336 1.847 178 HB3 LEU 28 2HB LEU 28 -4.013 0.980 0.817 179 HG LEU 28 HG LEU 28 -1.655 1.140 -0.066 180 HD11 LEU 28 1HD1 LEU 28 -1.403 -1.313 1.634 181 HD12 LEU 28 2HD1 LEU 28 -0.322 0.074 1.514 182 HD13 LEU 28 3HD1 LEU 28 -0.408 -1.092 0.194 183 HD21 LEU 28 3HD2 LEU 28 -2.505 0.002 -1.768 184 HD22 LEU 28 1HD2 LEU 28 -3.763 -0.625 -0.703 185 HD23 LEU 28 2HD2 LEU 28 -2.256 -1.518 -0.909 186 H VAL 29 H VAL 29 -3.876 3.369 1.007 187 HA VAL 29 HA VAL 29 -1.924 4.492 -0.498 188 HB VAL 29 HB VAL 29 -4.136 6.000 0.902 189 HG11 VAL 29 1HG1 VAL 29 -2.786 7.707 0.151 190 HG12 VAL 29 2HG1 VAL 29 -2.192 6.776 -1.226 191 HG13 VAL 29 3HG1 VAL 29 -3.823 7.447 -1.251 192 HG21 VAL 29 3HG2 VAL 29 -4.024 4.249 -1.474 193 HG22 VAL 29 1HG2 VAL 29 -5.356 4.578 -0.366 194 HG23 VAL 29 2HG2 VAL 29 -4.962 5.733 -1.639 195 H ARG 30 H ARG 30 -2.773 5.543 2.799 196 HA ARG 30 HA ARG 30 -0.704 7.467 2.987 197 HB2 ARG 30 1HB ARG 30 -2.727 7.488 4.408 198 HB3 ARG 30 2HB ARG 30 -2.163 6.029 5.210 199 HG2 ARG 30 1HG ARG 30 -0.176 7.258 5.992 200 HG3 ARG 30 2HG ARG 30 -0.820 8.722 5.246 201 HD2 ARG 30 1HD ARG 30 -2.537 8.908 6.778 202 HD3 ARG 30 2HD ARG 30 -2.504 7.191 7.176 203 HE ARG 30 HE ARG 30 -0.092 8.163 8.034 204 HH11 ARG 30 1HH1 ARG 30 -3.438 8.903 8.652 205 HH12 ARG 30 2HH1 ARG 30 -3.154 9.442 10.274 206 HH21 ARG 30 1HH2 ARG 30 0.294 8.870 10.168 207 HH22 ARG 30 2HH2 ARG 30 -1.031 9.424 11.135 208 H HIS 31 H HIS 31 -0.964 4.099 4.052 209 HA HIS 31 HA HIS 31 1.333 3.813 5.519 210 HB2 HIS 31 1HB HIS 31 0.101 1.873 5.484 211 HB3 HIS 31 2HB HIS 31 -0.223 1.983 3.756 212 HD1 HIS 31 HD1 HIS 31 2.176 0.588 6.220 213 HD2 HIS 31 HD2 HIS 31 1.808 0.910 2.095 214 HE1 HIS 31 HE1 HIS 31 3.883 -0.993 5.267 215 H ARG 32 H ARG 32 1.026 3.549 1.986 216 HA ARG 32 HA ARG 32 3.547 2.847 1.250 217 HB2 ARG 32 1HB ARG 32 1.896 5.009 -0.071 218 HB3 ARG 32 2HB ARG 32 3.202 4.103 -0.823 219 HG2 ARG 32 1HG ARG 32 0.747 2.768 0.274 220 HG3 ARG 32 2HG ARG 32 0.838 3.386 -1.377 221 HD2 ARG 32 1HD ARG 32 2.958 1.552 -0.332 222 HD3 ARG 32 2HD ARG 32 1.422 0.899 -0.898 223 HE ARG 32 HE ARG 32 2.760 2.695 -2.732 224 HH11 ARG 32 1HH1 ARG 32 2.248 -0.597 -1.721 225 HH12 ARG 32 2HH1 ARG 32 2.732 -1.276 -3.239 226 HH21 ARG 32 1HH2 ARG 32 3.399 1.813 -4.736 227 HH22 ARG 32 2HH2 ARG 32 3.388 0.095 -4.953 228 H GLY 33 H GLY 33 2.575 5.804 2.753 229 HA2 GLY 33 1HA GLY 33 4.504 7.613 2.016 230 HA3 GLY 33 2HA GLY 33 3.835 7.513 3.638 231 H ILE 34 H ILE 34 4.832 4.980 4.358 232 HA ILE 34 HA ILE 34 7.296 5.608 5.442 233 HB ILE 34 HB ILE 34 7.571 3.268 5.970 234 HG12 ILE 34 1HG1 ILE 34 5.212 2.638 4.199 235 HG13 ILE 34 2HG1 ILE 34 6.873 2.515 3.628 236 HG21 ILE 34 1HG2 ILE 34 6.021 4.275 7.398 237 HG22 ILE 34 2HG2 ILE 34 4.779 4.348 6.149 238 HG23 ILE 34 3HG2 ILE 34 5.216 2.798 6.868 239 HD11 ILE 34 3HD1 ILE 34 7.240 0.606 4.735 240 HD12 ILE 34 1HD1 ILE 34 6.330 1.127 6.152 241 HD13 ILE 34 2HD1 ILE 34 5.481 0.491 4.743 242 H HIS 35 H HIS 35 6.532 4.264 2.310 243 HA HIS 35 HA HIS 35 9.353 3.779 1.728 244 HB2 HIS 35 1HB HIS 35 6.979 3.319 -0.082 245 HB3 HIS 35 2HB HIS 35 8.606 2.671 -0.270 246 HD1 HIS 35 HD1 HIS 35 9.316 0.789 1.454 247 HD2 HIS 35 HD2 HIS 35 5.296 1.836 1.510 248 HE1 HIS 35 HE1 HIS 35 8.158 -1.059 2.705 249 H THR 36 H THR 36 8.630 6.465 2.153 250 HA THR 36 HA THR 36 9.757 7.689 -0.120 251 HB THR 36 HB THR 36 7.510 7.277 -1.082 252 HG1 THR 36 HG1 THR 36 8.019 9.054 -2.098 253 HG21 THR 36 3HG2 THR 36 6.639 8.959 1.258 254 HG22 THR 36 1HG2 THR 36 6.062 7.361 0.788 255 HG23 THR 36 2HG2 THR 36 5.654 8.769 -0.192 256 H GLY 37 H GLY 37 10.407 9.777 0.303 257 HA2 GLY 37 1HA GLY 37 9.734 11.844 1.640 258 HA3 GLY 37 2HA GLY 37 9.775 10.749 3.015 259 H GLU 38 H GLU 38 11.324 12.456 3.754 260 HA GLU 38 HA GLU 38 13.729 13.127 2.723 261 HB2 GLU 38 1HB GLU 38 13.203 12.308 5.585 262 HB3 GLU 38 2HB GLU 38 14.609 13.211 5.041 263 HG2 GLU 38 1HG GLU 38 13.225 14.864 5.854 264 HG3 GLU 38 2HG GLU 38 12.892 14.899 4.123 265 H LYS 39 H LYS 39 15.477 12.105 2.014 266 HA LYS 39 HA LYS 39 17.083 10.524 1.689 267 HB2 LYS 39 1HB LYS 39 17.128 10.543 4.221 268 HB3 LYS 39 2HB LYS 39 16.048 9.155 4.172 269 HG2 LYS 39 1HG LYS 39 17.903 8.156 2.615 270 HG3 LYS 39 2HG LYS 39 18.921 9.352 3.423 271 HD2 LYS 39 1HD LYS 39 17.190 7.386 4.910 272 HD3 LYS 39 2HD LYS 39 18.870 7.058 4.478 273 HE2 LYS 39 1HE LYS 39 19.240 9.411 5.632 274 HE3 LYS 39 2HE LYS 39 17.747 8.971 6.460 275 HZ1 LYS 39 3HZ LYS 39 19.722 6.869 6.367 276 HZ2 LYS 39 1HZ LYS 39 18.784 7.417 7.663 277 HZ3 LYS 39 2HZ LYS 39 20.207 8.231 7.246 278 HA PRO 40 HA PRO 40 13.558 7.769 0.170 279 HB2 PRO 40 1HB PRO 40 13.611 8.583 -2.420 280 HB3 PRO 40 2HB PRO 40 12.606 9.358 -1.190 281 HG2 PRO 40 1HG PRO 40 15.262 10.208 -2.277 282 HG3 PRO 40 2HG PRO 40 13.829 11.193 -1.929 283 HD2 PRO 40 1HD PRO 40 15.952 11.068 -0.254 284 HD3 PRO 40 2HD PRO 40 14.290 11.292 0.327 285 H SER 41 H SER 41 13.795 5.953 -1.215 286 HA SER 41 HA SER 41 16.598 5.303 -1.784 287 HB2 SER 41 1HB SER 41 14.159 3.645 -1.213 288 HB3 SER 41 2HB SER 41 15.546 2.930 -2.034 289 HG SER 41 HG SER 41 15.562 4.211 0.500 290 H GLY 42 H GLY 42 17.318 4.837 -3.796 291 HA2 GLY 42 1HA GLY 42 15.322 4.948 -5.974 292 HA3 GLY 42 2HA GLY 42 16.925 5.658 -6.097 293 HA PRO 43 HA PRO 43 18.242 1.952 -8.058 294 HB2 PRO 43 1HB PRO 43 20.918 2.190 -7.666 295 HB3 PRO 43 2HB PRO 43 20.027 3.174 -8.833 296 HG2 PRO 43 1HG PRO 43 20.923 3.868 -6.062 297 HG3 PRO 43 2HG PRO 43 20.986 4.850 -7.537 298 HD2 PRO 43 1HD PRO 43 19.065 5.169 -5.656 299 HD3 PRO 43 2HD PRO 43 18.766 5.451 -7.383 300 H SER 44 H SER 44 17.823 0.046 -7.126 301 HA SER 44 HA SER 44 19.628 -0.991 -5.127 302 HB2 SER 44 1HB SER 44 16.715 -0.494 -4.505 303 HB3 SER 44 2HB SER 44 17.692 -1.660 -3.613 304 HG SER 44 HG SER 44 19.023 -0.000 -2.941 305 H SER 45 H SER 45 19.361 -3.284 -4.776 306 HA SER 45 HA SER 45 18.064 -4.584 -7.072 307 HB2 SER 45 1HB SER 45 20.611 -4.795 -6.568 308 HB3 SER 45 2HB SER 45 20.099 -5.925 -5.314 309 HG SER 45 HG SER 45 19.957 -7.341 -6.845 310 H GLY 46 H GLY 46 18.692 -5.078 -3.599 311 HA2 GLY 46 1HA GLY 46 17.532 -6.259 -2.005 312 HA3 GLY 46 2HA GLY 46 16.100 -5.728 -2.876
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