NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
649192 | 6pv0 | 30641 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ARG 1 HT1 ARG 1 13.263 -1.736 3.260 2 H2 ARG 1 HT2 ARG 1 13.593 -1.131 4.803 3 H3 ARG 1 HT3 ARG 1 12.551 -0.291 3.773 4 HA ARG 1 HA ARG 1 12.054 -2.955 4.953 5 HB2 ARG 1 HB2 ARG 1 11.867 -1.027 6.523 6 HB3 ARG 1 HB1 ARG 1 10.675 -0.310 5.447 7 HG2 ARG 1 HG2 ARG 1 9.537 -1.367 7.259 8 HG3 ARG 1 HG1 ARG 1 9.241 -2.302 5.792 9 HD2 ARG 1 HD2 ARG 1 10.916 -3.926 6.450 10 HD3 ARG 1 HD1 ARG 1 11.334 -2.961 7.863 11 HE ARG 1 HE ARG 1 8.607 -3.538 8.000 12 HH11 ARG 1 HH11 ARG 1 11.657 -5.254 8.096 13 HH12 ARG 1 HH12 ARG 1 11.059 -6.510 9.128 14 HH21 ARG 1 HH21 ARG 1 8.866 -6.472 9.838 15 HH22 ARG 1 HH22 ARG 1 7.816 -5.182 9.340 16 HA PRO 2 HA PRO 2 9.578 -3.262 1.180 17 HB2 PRO 2 HB2 PRO 2 8.756 -5.771 2.521 18 HB3 PRO 2 HB1 PRO 2 9.398 -5.524 0.891 19 HG2 PRO 2 HG2 PRO 2 10.900 -6.624 2.800 20 HG3 PRO 2 HG1 PRO 2 11.597 -5.499 1.620 21 HD2 PRO 2 HD2 PRO 2 10.812 -5.008 4.472 22 HD3 PRO 2 HD1 PRO 2 12.236 -4.433 3.576 23 H PHE 3 HN PHE 3 8.013 -1.719 1.542 24 HA PHE 3 HA PHE 3 5.980 -2.099 3.553 25 HB2 PHE 3 HB2 PHE 3 6.211 -0.082 1.306 26 HB3 PHE 3 HB1 PHE 3 4.960 -0.067 2.540 27 HD1 PHE 3 HD1 PHE 3 8.228 1.014 1.668 28 HD2 PHE 3 HD2 PHE 3 5.703 0.100 4.965 29 HE1 PHE 3 HE1 PHE 3 9.685 2.337 3.142 30 HE2 PHE 3 HE2 PHE 3 7.156 1.421 6.451 31 HZ PHE 3 HZ PHE 3 9.150 2.541 5.539 32 H NLE 4 HN NLE 4 5.098 -4.084 2.999 33 HA NLE 4 HA NLE 4 4.006 -4.414 0.312 34 HB2 NLE 4 HB1 NLE 4 4.355 -6.376 2.579 35 HB3 NLE 4 HB2 NLE 4 5.422 -6.198 1.198 36 HG2 NLE 4 HG1 NLE 4 3.651 -6.950 -0.290 37 HG3 NLE 4 HG2 NLE 4 2.551 -7.098 1.083 38 HD2 NLE 4 HD1 NLE 4 4.017 -8.787 2.084 39 HD3 NLE 4 HD2 NLE 4 5.124 -8.638 0.710 40 HE1 NLE 4 HE1 NLE 4 3.345 -9.366 -0.800 41 HE2 NLE 4 HE2 NLE 4 2.244 -9.519 0.569 42 HE3 NLE 4 HE3 NLE 4 3.654 -10.572 0.448 43 H CYS 5 HN CYS 5 1.889 -4.356 -0.131 44 HA CYS 5 HA CYS 5 -0.050 -3.867 1.898 45 HB2 CYS 5 HB2 CYS 5 -0.559 -2.963 -0.233 46 HB3 CYS 5 HB1 CYS 5 -0.268 -4.500 -1.041 47 H THR 6 HN THR 6 -1.185 -5.287 3.061 48 HA THR 6 HA THR 6 -0.709 -8.126 2.487 49 HB THR 6 HB THR 6 -1.198 -8.453 4.947 50 HG1 THR 6 HG1 THR 6 -0.729 -5.645 5.100 51 HG21 THR 6 HG21 THR 6 1.079 -8.492 4.088 52 HG22 THR 6 HG22 THR 6 1.036 -7.686 5.656 53 HG23 THR 6 HG23 THR 6 1.162 -6.732 4.179 54 H TRP 7 HN TRP 7 -2.967 -6.103 1.751 55 HA TRP 7 HA TRP 7 -5.306 -7.230 2.950 56 HB2 TRP 7 HB2 TRP 7 -5.209 -4.902 2.053 57 HB3 TRP 7 HB1 TRP 7 -5.071 -5.567 0.429 58 HD1 TRP 7 HD1 TRP 7 -7.595 -4.828 3.145 59 HE1 TRP 7 HE1 TRP 7 -9.963 -5.281 2.257 60 HE3 TRP 7 HE3 TRP 7 -6.386 -7.146 -1.245 61 HZ2 TRP 7 HZ2 TRP 7 -11.159 -6.462 -0.010 62 HZ3 TRP 7 HZ3 TRP 7 -8.205 -7.908 -2.713 63 HH2 TRP 7 HH2 TRP 7 -10.538 -7.573 -2.107 64 HA DPR 8 HA DPR 8 -7.068 -10.029 -0.089 65 HB2 DPR 8 HB2 DPR 8 -7.749 -11.827 1.177 66 HB3 DPR 8 HB1 DPR 8 -6.221 -11.915 2.062 67 HG2 DPR 8 HG2 DPR 8 -8.509 -10.021 2.425 68 HG3 DPR 8 HG1 DPR 8 -7.566 -10.885 3.655 69 HD2 DPR 8 HD2 DPR 8 -7.120 -8.280 3.005 70 HD3 DPR 8 HD1 DPR 8 -5.840 -9.368 3.578 71 H GLY 9 HN GLY 9 -6.006 -10.719 -1.827 72 HA2 GLY 9 HA2 GLY 9 -3.385 -12.034 -1.476 73 HA3 GLY 9 HA1 GLY 9 -4.466 -12.289 -2.845 74 H CYS 10 HN CYS 10 -4.270 -9.111 -1.725 75 HA CYS 10 HA CYS 10 -3.019 -8.226 -4.170 76 HB2 CYS 10 HB2 CYS 10 -4.990 -7.078 -3.272 77 HB3 CYS 10 HB1 CYS 10 -4.121 -6.717 -1.785 78 H GLY 11 HN GLY 11 -1.007 -9.451 -3.422 79 HA2 GLY 11 HA2 GLY 11 0.510 -8.253 -1.275 80 HA3 GLY 11 HA1 GLY 11 1.008 -9.601 -2.285 81 H LYS 12 HN LYS 12 0.221 -6.165 -2.798 82 HA LYS 12 HA LYS 12 2.429 -5.933 -4.668 83 HB2 LYS 12 HB2 LYS 12 0.250 -4.844 -5.133 84 HB3 LYS 12 HB1 LYS 12 0.470 -3.830 -3.714 85 HG2 LYS 12 HG2 LYS 12 2.258 -2.666 -4.696 86 HG3 LYS 12 HG1 LYS 12 2.430 -3.858 -5.985 87 HD2 LYS 12 HD2 LYS 12 0.298 -3.207 -6.927 88 HD3 LYS 12 HD1 LYS 12 0.014 -2.096 -5.588 89 HE2 LYS 12 HE2 LYS 12 0.766 -0.958 -7.645 90 HE3 LYS 12 HE1 LYS 12 1.858 -0.710 -6.286 91 HZ1 LYS 12 HZ1 LYS 12 3.338 -2.369 -7.199 92 HZ2 LYS 12 HZ2 LYS 12 3.040 -1.171 -8.355 93 HZ3 LYS 12 HZ3 LYS 12 2.273 -2.670 -8.477 94 H ARG 13 HN ARG 13 4.371 -5.100 -4.217 95 HA ARG 13 HA ARG 13 4.832 -4.279 -1.441 96 HB2 ARG 13 HB2 ARG 13 6.780 -5.336 -3.492 97 HB3 ARG 13 HB1 ARG 13 7.184 -4.900 -1.835 98 HG2 ARG 13 HG2 ARG 13 5.639 -6.628 -1.025 99 HG3 ARG 13 HG1 ARG 13 5.305 -7.087 -2.695 100 HD2 ARG 13 HD2 ARG 13 7.670 -7.653 -3.006 101 HD3 ARG 13 HD1 ARG 13 7.996 -7.189 -1.337 102 HE ARG 13 HE ARG 13 6.179 -9.405 -2.046 103 HH11 ARG 13 HH11 ARG 13 8.958 -9.494 0.861 104 HH12 ARG 13 HH12 ARG 13 8.834 -8.100 -0.163 105 HH21 ARG 13 HH21 ARG 13 6.358 -11.244 -0.707 106 HH22 ARG 13 HH22 ARG 13 7.553 -11.279 0.550 107 H PHE 14 HN PHE 14 5.807 -2.395 -0.922 108 HA PHE 14 HA PHE 14 6.411 -0.552 -3.135 109 HB2 PHE 14 HB2 PHE 14 5.098 0.083 -0.492 110 HB3 PHE 14 HB1 PHE 14 5.505 1.255 -1.744 111 HD1 PHE 14 HD1 PHE 14 3.207 -1.360 -0.706 112 HD2 PHE 14 HD2 PHE 14 4.285 1.293 -3.842 113 HE1 PHE 14 HE1 PHE 14 1.041 -1.779 -1.796 114 HE2 PHE 14 HE2 PHE 14 2.122 0.892 -4.933 115 HZ PHE 14 HZ PHE 14 0.498 -0.649 -3.912 116 H THR 15 HN THR 15 7.852 1.233 -2.515 117 HA THR 15 HA THR 15 9.988 0.194 -0.795 118 HB THR 15 HB THR 15 10.186 2.429 -2.824 119 HG1 THR 15 HG1 THR 15 9.561 0.081 -3.488 120 HG21 THR 15 HG21 THR 15 12.002 2.327 -1.171 121 HG22 THR 15 HG22 THR 15 12.580 1.891 -2.779 122 HG23 THR 15 HG23 THR 15 12.281 0.634 -1.580 123 H ARG 16 HN ARG 16 7.785 2.849 -1.243 124 HA ARG 16 HA ARG 16 8.855 4.083 1.210 125 HB2 ARG 16 HB2 ARG 16 7.509 5.357 -1.175 126 HB3 ARG 16 HB1 ARG 16 7.772 6.202 0.343 127 HG2 ARG 16 HG2 ARG 16 10.155 5.982 0.098 128 HG3 ARG 16 HG1 ARG 16 9.943 5.002 -1.354 129 HD2 ARG 16 HD2 ARG 16 9.059 6.838 -2.563 130 HD3 ARG 16 HD1 ARG 16 8.908 7.814 -1.103 131 HE ARG 16 HE ARG 16 11.433 7.681 -1.046 132 HH11 ARG 16 HH11 ARG 16 9.623 7.521 -4.044 133 HH12 ARG 16 HH12 ARG 16 10.895 8.223 -4.992 134 HH21 ARG 16 HH21 ARG 16 13.089 8.623 -2.281 135 HH22 ARG 16 HH22 ARG 16 12.868 8.856 -3.985 136 H SER 17 HN SER 17 7.418 4.693 2.794 137 HA SER 17 HA SER 17 5.137 3.048 3.049 138 HB2 SER 17 HB2 SER 17 4.755 4.534 5.123 139 HB3 SER 17 HB1 SER 17 6.236 3.575 5.052 140 HG SER 17 HG SER 17 6.794 5.637 5.655 141 H ASP 18 HN ASP 18 5.567 6.340 1.954 142 HA ASP 18 HA ASP 18 2.857 7.139 2.109 143 HB2 ASP 18 HB2 ASP 18 4.647 8.771 1.744 144 HB3 ASP 18 HB1 ASP 18 4.994 8.056 0.171 145 H GLU 19 HN GLU 19 4.678 5.329 -0.267 146 HA GLU 19 HA GLU 19 2.754 5.342 -2.324 147 HB2 GLU 19 HB2 GLU 19 4.840 3.263 -1.670 148 HB3 GLU 19 HB1 GLU 19 3.944 3.359 -3.172 149 HG2 GLU 19 HG2 GLU 19 4.976 5.502 -3.667 150 HG3 GLU 19 HG1 GLU 19 5.852 5.442 -2.140 151 H LEU 20 HN LEU 20 3.406 3.136 0.356 152 HA LEU 20 HA LEU 20 1.313 1.328 -0.249 153 HB2 LEU 20 HB2 LEU 20 3.125 0.596 1.120 154 HB3 LEU 20 HB1 LEU 20 2.830 1.858 2.298 155 HG LEU 20 HG LEU 20 0.717 0.781 2.935 156 HD11 LEU 20 HD11 LEU 20 0.117 -0.255 0.833 157 HD12 LEU 20 HD12 LEU 20 0.202 -1.476 2.101 158 HD13 LEU 20 HD13 LEU 20 1.513 -1.327 0.933 159 HD21 LEU 20 HD21 LEU 20 3.012 -1.175 2.966 160 HD22 LEU 20 HD22 LEU 20 1.657 -1.109 4.091 161 HD23 LEU 20 HD23 LEU 20 2.843 0.194 4.066 162 H GLN 21 HN GLN 21 1.504 4.144 1.920 163 HA GLN 21 HA GLN 21 -1.060 3.960 3.025 164 HB2 GLN 21 HB2 GLN 21 0.656 6.361 2.399 165 HB3 GLN 21 HB1 GLN 21 -0.885 6.486 3.234 166 HG2 GLN 21 HG2 GLN 21 -0.048 5.123 5.049 167 HG3 GLN 21 HG1 GLN 21 1.480 4.893 4.200 168 HE21 GLN 21 HE21 GLN 21 2.926 6.598 4.050 169 HE22 GLN 21 HE22 GLN 21 2.809 8.001 5.051 170 H ARG 22 HN ARG 22 0.055 5.693 0.156 171 HA ARG 22 HA ARG 22 -2.362 6.715 -0.751 172 HB2 ARG 22 HB2 ARG 22 -0.042 7.173 -1.642 173 HB3 ARG 22 HB1 ARG 22 -0.133 5.636 -2.484 174 HG2 ARG 22 HG2 ARG 22 -2.116 6.474 -3.706 175 HG3 ARG 22 HG1 ARG 22 -1.880 8.043 -2.927 176 HD2 ARG 22 HD2 ARG 22 -0.041 6.625 -4.844 177 HD3 ARG 22 HD1 ARG 22 -0.818 8.197 -5.041 178 HE ARG 22 HE ARG 22 0.725 8.467 -2.805 179 HH11 ARG 22 HH11 ARG 22 2.976 8.149 -6.110 180 HH12 ARG 22 HH12 ARG 22 1.326 7.614 -6.142 181 HH21 ARG 22 HH21 ARG 22 2.897 9.141 -2.737 182 HH22 ARG 22 HH22 ARG 22 3.870 9.018 -4.174 183 H HIS 23 HN HIS 23 -0.791 3.638 -1.483 184 HA HIS 23 HA HIS 23 -2.722 2.613 -3.218 185 HB2 HIS 23 HB2 HIS 23 -0.558 1.616 -3.152 186 HB3 HIS 23 HB1 HIS 23 -0.697 1.277 -1.432 187 HD1 HIS 23 HD1 HIS 23 -1.583 -0.110 -4.791 188 HD2 HIS 23 HD2 HIS 23 -2.331 -0.903 -0.759 189 HE1 HIS 23 HE1 HIS 23 -2.617 -2.434 -4.684 190 H LYS 24 HN LYS 24 -2.337 2.226 0.283 191 HA LYS 24 HA LYS 24 -4.344 0.363 0.742 192 HB2 LYS 24 HB2 LYS 24 -2.655 1.011 2.398 193 HB3 LYS 24 HB1 LYS 24 -3.383 2.602 2.536 194 HG2 LYS 24 HG2 LYS 24 -4.056 1.356 4.427 195 HG3 LYS 24 HG1 LYS 24 -5.461 1.482 3.368 196 HD2 LYS 24 HD2 LYS 24 -5.153 -0.774 2.594 197 HD3 LYS 24 HD1 LYS 24 -3.619 -0.908 3.458 198 HE2 LYS 24 HE2 LYS 24 -4.802 -0.664 5.589 199 HE3 LYS 24 HE1 LYS 24 -6.330 -0.519 4.725 200 HZ1 LYS 24 HZ1 LYS 24 -4.564 -2.900 4.645 201 HZ2 LYS 24 HZ2 LYS 24 -6.090 -2.755 3.929 202 HZ3 LYS 24 HZ3 LYS 24 -5.944 -2.752 5.610 203 H ARG 25 HN ARG 25 -4.581 3.761 0.072 204 HA ARG 25 HA ARG 25 -7.121 4.304 1.112 205 HB2 ARG 25 HB2 ARG 25 -5.718 5.452 -1.298 206 HB3 ARG 25 HB1 ARG 25 -7.208 6.104 -0.628 207 HG2 ARG 25 HG2 ARG 25 -6.066 6.556 1.479 208 HG3 ARG 25 HG1 ARG 25 -4.573 5.892 0.816 209 HD2 ARG 25 HD2 ARG 25 -4.542 7.629 -0.896 210 HD3 ARG 25 HD1 ARG 25 -6.058 8.285 -0.277 211 HE ARG 25 HE ARG 25 -4.546 8.443 1.892 212 HH11 ARG 25 HH11 ARG 25 -2.679 10.537 -0.988 213 HH12 ARG 25 HH12 ARG 25 -3.818 9.303 -1.421 214 HH21 ARG 25 HH21 ARG 25 -2.253 10.983 1.232 215 HH22 ARG 25 HH22 ARG 25 -3.065 10.079 2.471 216 H THR 26 HN THR 26 -6.180 2.439 -1.648 217 HA THR 26 HA THR 26 -8.645 2.628 -3.059 218 HB THR 26 HB THR 26 -7.893 0.669 -4.333 219 HG1 THR 26 HG1 THR 26 -5.548 0.658 -2.714 220 HG21 THR 26 HG21 THR 26 -5.700 2.692 -3.879 221 HG22 THR 26 HG22 THR 26 -7.068 2.874 -4.974 222 HG23 THR 26 HG23 THR 26 -5.854 1.635 -5.283 223 H HIS 27 HN HIS 27 -7.369 0.453 -0.599 224 HA HIS 27 HA HIS 27 -9.668 -1.290 -0.725 225 HB2 HIS 27 HB2 HIS 27 -7.444 -1.179 1.321 226 HB3 HIS 27 HB1 HIS 27 -8.633 -2.465 1.163 227 HD1 HIS 27 HD1 HIS 27 -8.511 -3.498 -1.565 228 HD2 HIS 27 HD2 HIS 27 -5.118 -1.920 0.280 229 HE1 HIS 27 HE1 HIS 27 -6.492 -4.475 -2.782 230 H THR 28 HN THR 28 -8.613 1.467 1.095 231 HA THR 28 HA THR 28 -10.543 1.136 3.200 232 HB THR 28 HB THR 28 -8.957 3.622 2.542 233 HG1 THR 28 HG1 THR 28 -7.333 2.244 2.877 234 HG21 THR 28 HG21 THR 28 -10.097 2.562 5.134 235 HG22 THR 28 HG22 THR 28 -10.744 3.909 4.198 236 HG23 THR 28 HG23 THR 28 -9.155 4.042 4.953 237 H GLY 29 HN GLY 29 -12.403 0.948 1.724 238 HA2 GLY 29 HA2 GLY 29 -14.427 2.357 1.602 239 HA3 GLY 29 HA1 GLY 29 -13.400 3.611 0.922 240 H GLU 30 HN GLU 30 -15.345 3.310 -0.666 241 HA GLU 30 HA GLU 30 -14.841 1.197 -2.598 242 HB2 GLU 30 HB2 GLU 30 -17.171 1.818 -2.143 243 HB3 GLU 30 HB1 GLU 30 -16.837 3.471 -2.638 244 HG2 GLU 30 HG2 GLU 30 -16.455 2.787 -4.898 245 HG3 GLU 30 HG1 GLU 30 -16.581 1.087 -4.449 246 H LYS 31 HN LYS 31 -13.143 1.454 -3.855 247 HA LYS 31 HA LYS 31 -11.478 2.367 -5.086 248 HB2 LYS 31 HB2 LYS 31 -13.309 3.099 -6.566 249 HB3 LYS 31 HB1 LYS 31 -13.491 4.566 -5.616 250 HG2 LYS 31 HG2 LYS 31 -11.204 5.226 -6.233 251 HG3 LYS 31 HG1 LYS 31 -11.076 3.778 -7.230 252 HD2 LYS 31 HD2 LYS 31 -12.906 4.551 -8.625 253 HD3 LYS 31 HD1 LYS 31 -13.113 5.970 -7.597 254 HE2 LYS 31 HE2 LYS 31 -11.867 6.513 -9.630 255 HE3 LYS 31 HE1 LYS 31 -10.880 6.742 -8.187 256 HZ1 LYS 31 HZ1 LYS 31 -9.648 5.635 -9.944 257 HZ2 LYS 31 HZ2 LYS 31 -10.782 4.383 -9.990 258 HZ3 LYS 31 HZ3 LYS 31 -9.827 4.610 -8.612 259 HN1 NH2 32 HN1 NH2 32 -10.692 2.582 -2.809 260 HN2 NH2 32 HN2 NH2 32 -10.242 4.165 -2.264 Start of MODEL 2 1 H1 ARG 1 HT1 ARG 1 14.650 -1.203 2.640 2 H2 ARG 1 HT2 ARG 1 15.370 -0.104 3.703 3 H3 ARG 1 HT3 ARG 1 14.594 0.455 2.306 4 HA ARG 1 HA ARG 1 13.306 -0.880 4.612 5 HB2 ARG 1 HB2 ARG 1 13.974 1.416 5.105 6 HB3 ARG 1 HB1 ARG 1 13.224 1.980 3.621 7 HG2 ARG 1 HG2 ARG 1 11.843 2.519 5.521 8 HG3 ARG 1 HG1 ARG 1 11.028 1.339 4.496 9 HD2 ARG 1 HD2 ARG 1 11.678 -0.452 6.014 10 HD3 ARG 1 HD1 ARG 1 12.551 0.703 7.023 11 HE ARG 1 HE ARG 1 10.211 1.790 7.207 12 HH11 ARG 1 HH11 ARG 1 10.870 -1.651 7.066 13 HH12 ARG 1 HH12 ARG 1 9.451 -2.087 7.961 14 HH21 ARG 1 HH21 ARG 1 8.019 -0.458 8.721 15 HH22 ARG 1 HH22 ARG 1 8.347 1.213 8.394 16 HA PRO 2 HA PRO 2 10.629 -1.558 0.987 17 HB2 PRO 2 HB2 PRO 2 10.273 -4.191 1.262 18 HB3 PRO 2 HB1 PRO 2 11.782 -3.531 0.611 19 HG2 PRO 2 HG2 PRO 2 11.215 -4.675 3.295 20 HG3 PRO 2 HG1 PRO 2 12.714 -4.704 2.353 21 HD2 PRO 2 HD2 PRO 2 12.063 -2.934 4.472 22 HD3 PRO 2 HD1 PRO 2 13.465 -2.829 3.389 23 H PHE 3 HN PHE 3 8.416 -2.064 0.798 24 HA PHE 3 HA PHE 3 6.939 -2.538 3.296 25 HB2 PHE 3 HB2 PHE 3 6.417 -0.386 1.244 26 HB3 PHE 3 HB1 PHE 3 5.222 -0.885 2.435 27 HD1 PHE 3 HD1 PHE 3 8.410 0.806 1.893 28 HD2 PHE 3 HD2 PHE 3 5.455 -0.287 4.749 29 HE1 PHE 3 HE1 PHE 3 9.389 2.388 3.500 30 HE2 PHE 3 HE2 PHE 3 6.425 1.292 6.365 31 HZ PHE 3 HZ PHE 3 8.390 2.613 5.767 32 H NLE 4 HN NLE 4 4.722 -3.341 2.886 33 HA NLE 4 HA NLE 4 4.110 -4.264 0.224 34 HB2 NLE 4 HB1 NLE 4 4.636 -6.245 2.437 35 HB3 NLE 4 HB2 NLE 4 5.652 -6.000 1.026 36 HG2 NLE 4 HG1 NLE 4 3.812 -6.736 -0.418 37 HG3 NLE 4 HG2 NLE 4 2.815 -7.011 1.012 38 HD2 NLE 4 HD1 NLE 4 4.400 -8.687 1.814 39 HD3 NLE 4 HD2 NLE 4 5.427 -8.402 0.398 40 HE1 NLE 4 HE1 NLE 4 2.581 -9.402 0.347 41 HE2 NLE 4 HE2 NLE 4 4.025 -10.378 0.083 42 HE3 NLE 4 HE3 NLE 4 3.597 -9.109 -1.064 43 H CYS 5 HN CYS 5 1.979 -4.339 -0.075 44 HA CYS 5 HA CYS 5 0.199 -3.915 2.154 45 HB2 CYS 5 HB2 CYS 5 -0.349 -2.732 0.154 46 HB3 CYS 5 HB1 CYS 5 -0.258 -4.199 -0.812 47 H THR 6 HN THR 6 -1.308 -5.351 2.934 48 HA THR 6 HA THR 6 -1.146 -8.112 1.951 49 HB THR 6 HB THR 6 -1.199 -8.861 4.355 50 HG1 THR 6 HG1 THR 6 -0.064 -6.764 5.486 51 HG21 THR 6 HG21 THR 6 1.199 -7.262 3.445 52 HG22 THR 6 HG22 THR 6 0.876 -8.961 3.095 53 HG23 THR 6 HG23 THR 6 1.209 -8.448 4.749 54 H TRP 7 HN TRP 7 -3.152 -5.851 1.809 55 HA TRP 7 HA TRP 7 -5.311 -6.635 3.539 56 HB2 TRP 7 HB2 TRP 7 -4.833 -4.281 2.623 57 HB3 TRP 7 HB1 TRP 7 -5.540 -4.856 1.118 58 HD1 TRP 7 HD1 TRP 7 -6.452 -3.650 4.570 59 HE1 TRP 7 HE1 TRP 7 -9.005 -3.462 4.774 60 HE3 TRP 7 HE3 TRP 7 -7.778 -6.014 0.239 61 HZ2 TRP 7 HZ2 TRP 7 -11.286 -4.227 3.296 62 HZ3 TRP 7 HZ3 TRP 7 -10.172 -6.251 -0.288 63 HH2 TRP 7 HH2 TRP 7 -11.884 -5.376 1.208 64 HA DPR 8 HA DPR 8 -8.054 -8.794 0.646 65 HB2 DPR 8 HB2 DPR 8 -9.239 -10.176 2.019 66 HB3 DPR 8 HB1 DPR 8 -7.784 -10.829 2.782 67 HG2 DPR 8 HG2 DPR 8 -9.237 -8.274 3.345 68 HG3 DPR 8 HG1 DPR 8 -8.551 -9.448 4.487 69 HD2 DPR 8 HD2 DPR 8 -7.286 -7.150 3.883 70 HD3 DPR 8 HD1 DPR 8 -6.394 -8.652 4.197 71 H GLY 9 HN GLY 9 -7.139 -9.714 -1.078 72 HA2 GLY 9 HA2 GLY 9 -5.050 -11.757 -0.638 73 HA3 GLY 9 HA1 GLY 9 -6.156 -11.749 -2.009 74 H CYS 10 HN CYS 10 -5.108 -8.698 -1.067 75 HA CYS 10 HA CYS 10 -3.605 -8.364 -3.513 76 HB2 CYS 10 HB2 CYS 10 -5.208 -6.667 -2.883 77 HB3 CYS 10 HB1 CYS 10 -4.446 -6.469 -1.313 78 H GLY 11 HN GLY 11 -1.416 -8.267 -3.665 79 HA2 GLY 11 HA2 GLY 11 0.143 -8.024 -1.183 80 HA3 GLY 11 HA1 GLY 11 0.412 -9.402 -2.239 81 H LYS 12 HN LYS 12 0.043 -5.894 -2.667 82 HA LYS 12 HA LYS 12 2.157 -5.895 -4.660 83 HB2 LYS 12 HB2 LYS 12 -0.010 -4.573 -4.853 84 HB3 LYS 12 HB1 LYS 12 0.627 -3.522 -3.597 85 HG2 LYS 12 HG2 LYS 12 2.480 -2.894 -4.992 86 HG3 LYS 12 HG1 LYS 12 1.974 -4.039 -6.239 87 HD2 LYS 12 HD2 LYS 12 -0.206 -2.757 -6.340 88 HD3 LYS 12 HD1 LYS 12 0.571 -1.530 -5.341 89 HE2 LYS 12 HE2 LYS 12 0.714 -0.909 -7.677 90 HE3 LYS 12 HE1 LYS 12 2.322 -1.278 -7.056 91 HZ1 LYS 12 HZ1 LYS 12 2.261 -3.402 -8.111 92 HZ2 LYS 12 HZ2 LYS 12 1.852 -2.241 -9.270 93 HZ3 LYS 12 HZ3 LYS 12 0.647 -3.200 -8.570 94 H ARG 13 HN ARG 13 4.184 -5.050 -4.367 95 HA ARG 13 HA ARG 13 4.870 -4.363 -1.602 96 HB2 ARG 13 HB2 ARG 13 6.598 -5.341 -3.871 97 HB3 ARG 13 HB1 ARG 13 7.222 -4.839 -2.305 98 HG2 ARG 13 HG2 ARG 13 5.808 -6.599 -1.255 99 HG3 ARG 13 HG1 ARG 13 5.390 -7.153 -2.878 100 HD2 ARG 13 HD2 ARG 13 7.210 -8.487 -1.982 101 HD3 ARG 13 HD1 ARG 13 7.774 -7.519 -3.345 102 HE ARG 13 HE ARG 13 8.204 -6.597 -0.583 103 HH11 ARG 13 HH11 ARG 13 11.101 -7.089 -3.327 104 HH12 ARG 13 HH12 ARG 13 9.494 -7.652 -3.662 105 HH21 ARG 13 HH21 ARG 13 10.320 -5.880 -0.128 106 HH22 ARG 13 HH22 ARG 13 11.571 -6.081 -1.316 107 H PHE 14 HN PHE 14 6.300 -2.656 -1.154 108 HA PHE 14 HA PHE 14 6.506 -0.581 -3.216 109 HB2 PHE 14 HB2 PHE 14 5.427 -0.129 -0.428 110 HB3 PHE 14 HB1 PHE 14 5.640 1.096 -1.678 111 HD1 PHE 14 HD1 PHE 14 3.466 -1.336 -0.269 112 HD2 PHE 14 HD2 PHE 14 4.296 0.854 -3.814 113 HE1 PHE 14 HE1 PHE 14 1.180 -1.766 -1.062 114 HE2 PHE 14 HE2 PHE 14 2.009 0.428 -4.615 115 HZ PHE 14 HZ PHE 14 0.484 -0.948 -3.295 116 H THR 15 HN THR 15 7.770 1.356 -2.183 117 HA THR 15 HA THR 15 10.034 0.227 -0.667 118 HB THR 15 HB THR 15 11.337 2.122 -1.894 119 HG1 THR 15 HG1 THR 15 9.004 2.588 -2.913 120 HG21 THR 15 HG21 THR 15 11.793 -0.248 -2.233 121 HG22 THR 15 HG22 THR 15 11.824 0.600 -3.780 122 HG23 THR 15 HG23 THR 15 10.423 -0.374 -3.337 123 H ARG 16 HN ARG 16 7.752 2.799 -0.999 124 HA ARG 16 HA ARG 16 8.786 3.924 1.513 125 HB2 ARG 16 HB2 ARG 16 7.576 5.384 -0.840 126 HB3 ARG 16 HB1 ARG 16 7.758 6.114 0.749 127 HG2 ARG 16 HG2 ARG 16 10.188 5.755 0.601 128 HG3 ARG 16 HG1 ARG 16 9.969 5.105 -1.024 129 HD2 ARG 16 HD2 ARG 16 10.659 7.481 -1.010 130 HD3 ARG 16 HD1 ARG 16 9.106 7.216 -1.798 131 HE ARG 16 HE ARG 16 8.240 7.869 0.589 132 HH11 ARG 16 HH11 ARG 16 10.896 9.322 -1.193 133 HH12 ARG 16 HH12 ARG 16 10.700 10.873 -0.445 134 HH21 ARG 16 HH21 ARG 16 7.977 9.901 1.546 135 HH22 ARG 16 HH22 ARG 16 9.043 11.206 1.118 136 H SER 17 HN SER 17 7.266 4.510 3.052 137 HA SER 17 HA SER 17 4.899 3.004 3.148 138 HB2 SER 17 HB2 SER 17 4.378 4.457 5.148 139 HB3 SER 17 HB1 SER 17 5.953 3.663 5.201 140 HG SER 17 HG SER 17 5.378 6.284 5.285 141 H ASP 18 HN ASP 18 5.627 6.152 1.924 142 HA ASP 18 HA ASP 18 3.078 7.304 1.805 143 HB2 ASP 18 HB2 ASP 18 5.257 7.583 -0.277 144 HB3 ASP 18 HB1 ASP 18 3.969 8.732 0.074 145 H GLU 19 HN GLU 19 4.743 5.124 -0.405 146 HA GLU 19 HA GLU 19 2.789 5.036 -2.420 147 HB2 GLU 19 HB2 GLU 19 4.787 2.944 -1.566 148 HB3 GLU 19 HB1 GLU 19 3.866 2.897 -3.055 149 HG2 GLU 19 HG2 GLU 19 4.987 4.896 -3.841 150 HG3 GLU 19 HG1 GLU 19 5.867 5.021 -2.317 151 H LEU 20 HN LEU 20 3.379 3.054 0.438 152 HA LEU 20 HA LEU 20 1.262 1.237 0.019 153 HB2 LEU 20 HB2 LEU 20 3.113 0.705 1.480 154 HB3 LEU 20 HB1 LEU 20 2.710 2.042 2.537 155 HG LEU 20 HG LEU 20 0.632 0.917 3.190 156 HD11 LEU 20 HD11 LEU 20 0.255 -1.418 2.521 157 HD12 LEU 20 HD12 LEU 20 1.606 -1.297 1.395 158 HD13 LEU 20 HD13 LEU 20 0.167 -0.306 1.155 159 HD21 LEU 20 HD21 LEU 20 2.694 0.539 4.467 160 HD22 LEU 20 HD22 LEU 20 3.059 -0.857 3.449 161 HD23 LEU 20 HD23 LEU 20 1.635 -0.870 4.491 162 H GLN 21 HN GLN 21 1.445 4.333 1.715 163 HA GLN 21 HA GLN 21 -1.096 4.198 2.940 164 HB2 GLN 21 HB2 GLN 21 0.600 6.572 2.152 165 HB3 GLN 21 HB1 GLN 21 -0.899 6.708 3.060 166 HG2 GLN 21 HG2 GLN 21 0.047 5.409 4.872 167 HG3 GLN 21 HG1 GLN 21 1.536 5.180 3.955 168 HE21 GLN 21 HE21 GLN 21 -0.365 7.385 5.829 169 HE22 GLN 21 HE22 GLN 21 0.841 8.616 5.976 170 H ARG 22 HN ARG 22 -0.054 5.846 -0.054 171 HA ARG 22 HA ARG 22 -2.629 6.738 -0.758 172 HB2 ARG 22 HB2 ARG 22 -1.722 7.201 -2.950 173 HB3 ARG 22 HB1 ARG 22 -0.540 7.650 -1.732 174 HG2 ARG 22 HG2 ARG 22 0.611 5.487 -2.143 175 HG3 ARG 22 HG1 ARG 22 -0.518 5.195 -3.467 176 HD2 ARG 22 HD2 ARG 22 0.244 7.314 -4.519 177 HD3 ARG 22 HD1 ARG 22 1.443 7.479 -3.236 178 HE ARG 22 HE ARG 22 1.501 5.004 -4.768 179 HH11 ARG 22 HH11 ARG 22 4.323 7.843 -5.105 180 HH12 ARG 22 HH12 ARG 22 2.855 8.190 -4.245 181 HH21 ARG 22 HH21 ARG 22 3.424 4.551 -5.900 182 HH22 ARG 22 HH22 ARG 22 4.648 5.774 -6.044 183 H HIS 23 HN HIS 23 -0.868 3.781 -1.489 184 HA HIS 23 HA HIS 23 -2.719 2.677 -3.289 185 HB2 HIS 23 HB2 HIS 23 -0.557 1.708 -3.222 186 HB3 HIS 23 HB1 HIS 23 -0.637 1.458 -1.484 187 HD1 HIS 23 HD1 HIS 23 -1.539 -0.160 -4.731 188 HD2 HIS 23 HD2 HIS 23 -2.204 -0.717 -0.649 189 HE1 HIS 23 HE1 HIS 23 -2.563 -2.478 -4.467 190 H LYS 24 HN LYS 24 -2.342 2.281 0.222 191 HA LYS 24 HA LYS 24 -4.331 0.353 0.569 192 HB2 LYS 24 HB2 LYS 24 -2.575 0.944 2.225 193 HB3 LYS 24 HB1 LYS 24 -3.438 2.438 2.560 194 HG2 LYS 24 HG2 LYS 24 -5.342 1.190 3.386 195 HG3 LYS 24 HG1 LYS 24 -4.547 -0.329 2.969 196 HD2 LYS 24 HD2 LYS 24 -4.335 0.139 5.352 197 HD3 LYS 24 HD1 LYS 24 -2.759 0.164 4.561 198 HE2 LYS 24 HE2 LYS 24 -2.863 2.622 4.475 199 HE3 LYS 24 HE1 LYS 24 -4.417 2.575 5.305 200 HZ1 LYS 24 HZ1 LYS 24 -3.343 1.571 7.206 201 HZ2 LYS 24 HZ2 LYS 24 -2.585 3.031 6.818 202 HZ3 LYS 24 HZ3 LYS 24 -1.853 1.566 6.405 203 H ARG 25 HN ARG 25 -4.584 3.752 0.050 204 HA ARG 25 HA ARG 25 -7.091 4.247 1.202 205 HB2 ARG 25 HB2 ARG 25 -5.744 5.502 -1.183 206 HB3 ARG 25 HB1 ARG 25 -7.235 6.111 -0.479 207 HG2 ARG 25 HG2 ARG 25 -6.015 6.395 1.671 208 HG3 ARG 25 HG1 ARG 25 -4.535 5.950 0.821 209 HD2 ARG 25 HD2 ARG 25 -4.858 7.838 -0.720 210 HD3 ARG 25 HD1 ARG 25 -6.317 8.297 0.160 211 HE ARG 25 HE ARG 25 -3.835 8.138 1.680 212 HH11 ARG 25 HH11 ARG 25 -5.712 11.605 0.897 213 HH12 ARG 25 HH12 ARG 25 -6.201 10.164 0.068 214 HH21 ARG 25 HH21 ARG 25 -4.006 11.532 2.434 215 HH22 ARG 25 HH22 ARG 25 -3.197 10.035 2.761 216 H THR 26 HN THR 26 -6.247 2.428 -1.602 217 HA THR 26 HA THR 26 -8.769 2.620 -2.927 218 HB THR 26 HB THR 26 -8.049 0.618 -4.191 219 HG1 THR 26 HG1 THR 26 -5.593 0.727 -2.765 220 HG21 THR 26 HG21 THR 26 -7.335 2.798 -4.976 221 HG22 THR 26 HG22 THR 26 -6.061 1.613 -5.252 222 HG23 THR 26 HG23 THR 26 -5.932 2.751 -3.911 223 H HIS 27 HN HIS 27 -7.393 0.530 -0.475 224 HA HIS 27 HA HIS 27 -9.693 -1.233 -0.445 225 HB2 HIS 27 HB2 HIS 27 -7.403 -1.068 1.524 226 HB3 HIS 27 HB1 HIS 27 -8.560 -2.381 1.372 227 HD1 HIS 27 HD1 HIS 27 -8.402 -3.387 -1.395 228 HD2 HIS 27 HD2 HIS 27 -5.077 -1.788 0.539 229 HE1 HIS 27 HE1 HIS 27 -6.349 -4.368 -2.544 230 H THR 28 HN THR 28 -8.207 1.207 1.646 231 HA THR 28 HA THR 28 -10.585 1.161 3.363 232 HB THR 28 HB THR 28 -7.921 2.470 3.937 233 HG1 THR 28 HG1 THR 28 -8.322 -0.070 3.687 234 HG21 THR 28 HG21 THR 28 -8.670 2.375 6.261 235 HG22 THR 28 HG22 THR 28 -10.180 1.617 5.756 236 HG23 THR 28 HG23 THR 28 -9.823 3.276 5.275 237 H GLY 29 HN GLY 29 -11.873 2.398 1.926 238 HA2 GLY 29 HA2 GLY 29 -11.675 5.218 2.343 239 HA3 GLY 29 HA1 GLY 29 -11.328 4.760 0.680 240 H GLU 30 HN GLU 30 -13.275 6.081 0.239 241 HA GLU 30 HA GLU 30 -15.802 4.939 1.076 242 HB2 GLU 30 HB2 GLU 30 -15.490 7.403 0.923 243 HB3 GLU 30 HB1 GLU 30 -15.280 7.239 -0.814 244 HG2 GLU 30 HG2 GLU 30 -17.535 6.453 -1.067 245 HG3 GLU 30 HG1 GLU 30 -17.761 6.428 0.682 246 H LYS 31 HN LYS 31 -15.438 2.868 0.066 247 HA LYS 31 HA LYS 31 -16.306 2.901 -2.736 248 HB2 LYS 31 HB2 LYS 31 -13.846 2.484 -2.628 249 HB3 LYS 31 HB1 LYS 31 -14.168 1.055 -1.662 250 HG2 LYS 31 HG2 LYS 31 -15.458 0.110 -3.536 251 HG3 LYS 31 HG1 LYS 31 -15.042 1.525 -4.502 252 HD2 LYS 31 HD2 LYS 31 -13.094 -0.459 -3.323 253 HD3 LYS 31 HD1 LYS 31 -13.573 -0.358 -5.018 254 HE2 LYS 31 HE2 LYS 31 -12.106 1.761 -3.446 255 HE3 LYS 31 HE1 LYS 31 -11.406 0.699 -4.665 256 HZ1 LYS 31 HZ1 LYS 31 -13.505 2.746 -5.139 257 HZ2 LYS 31 HZ2 LYS 31 -12.871 1.710 -6.313 258 HZ3 LYS 31 HZ3 LYS 31 -11.878 2.867 -5.584 259 HN1 NH2 32 HN1 NH2 32 -15.367 0.205 -0.674 260 HN2 NH2 32 HN2 NH2 32 -16.949 -0.475 -0.516 Start of MODEL 3 1 H1 ARG 1 HT1 ARG 1 14.055 -1.671 6.641 2 H2 ARG 1 HT2 ARG 1 13.371 -0.547 5.579 3 H3 ARG 1 HT3 ARG 1 14.130 -1.926 4.973 4 HA ARG 1 HA ARG 1 12.473 -3.342 5.907 5 HB2 ARG 1 HB2 ARG 1 11.980 -2.016 7.897 6 HB3 ARG 1 HB1 ARG 1 11.266 -0.755 6.904 7 HG2 ARG 1 HG2 ARG 1 9.488 -2.261 6.225 8 HG3 ARG 1 HG1 ARG 1 10.221 -3.568 7.156 9 HD2 ARG 1 HD2 ARG 1 9.899 -2.283 9.216 10 HD3 ARG 1 HD1 ARG 1 9.179 -0.969 8.285 11 HE ARG 1 HE ARG 1 7.792 -3.385 7.796 12 HH11 ARG 1 HH11 ARG 1 8.255 -0.969 10.279 13 HH12 ARG 1 HH12 ARG 1 6.682 -1.194 10.973 14 HH21 ARG 1 HH21 ARG 1 5.229 -2.744 10.075 15 HH22 ARG 1 HH22 ARG 1 5.714 -3.695 8.709 16 HA PRO 2 HA PRO 2 10.654 -2.215 1.927 17 HB2 PRO 2 HB2 PRO 2 9.997 -4.725 1.189 18 HB3 PRO 2 HB1 PRO 2 11.654 -4.112 1.066 19 HG2 PRO 2 HG2 PRO 2 10.436 -5.889 3.132 20 HG3 PRO 2 HG1 PRO 2 12.043 -5.971 2.390 21 HD2 PRO 2 HD2 PRO 2 11.532 -4.903 4.877 22 HD3 PRO 2 HD1 PRO 2 12.926 -4.461 3.871 23 H PHE 3 HN PHE 3 8.524 -1.970 1.290 24 HA PHE 3 HA PHE 3 6.579 -2.529 3.409 25 HB2 PHE 3 HB2 PHE 3 6.500 -0.576 1.102 26 HB3 PHE 3 HB1 PHE 3 5.208 -0.787 2.278 27 HD1 PHE 3 HD1 PHE 3 8.521 0.558 1.666 28 HD2 PHE 3 HD2 PHE 3 5.491 -0.061 4.583 29 HE1 PHE 3 HE1 PHE 3 9.608 2.201 3.135 30 HE2 PHE 3 HE2 PHE 3 6.568 1.579 6.059 31 HZ PHE 3 HZ PHE 3 8.656 2.668 5.373 32 H NLE 4 HN NLE 4 4.524 -3.388 2.922 33 HA NLE 4 HA NLE 4 3.992 -4.422 0.287 34 HB2 NLE 4 HB1 NLE 4 4.472 -6.316 2.587 35 HB3 NLE 4 HB2 NLE 4 5.557 -6.090 1.226 36 HG2 NLE 4 HG1 NLE 4 3.813 -6.922 -0.287 37 HG3 NLE 4 HG2 NLE 4 2.754 -7.185 1.103 38 HD2 NLE 4 HD1 NLE 4 4.369 -8.766 2.042 39 HD3 NLE 4 HD2 NLE 4 5.435 -8.508 0.651 40 HE1 NLE 4 HE1 NLE 4 2.626 -9.602 0.553 41 HE2 NLE 4 HE2 NLE 4 4.111 -10.539 0.375 42 HE3 NLE 4 HE3 NLE 4 3.677 -9.333 -0.837 43 H CYS 5 HN CYS 5 1.861 -4.661 -0.041 44 HA CYS 5 HA CYS 5 0.011 -3.889 1.983 45 HB2 CYS 5 HB2 CYS 5 -0.396 -3.392 -0.385 46 HB3 CYS 5 HB1 CYS 5 -0.458 -5.114 -0.745 47 H THR 6 HN THR 6 -1.291 -5.111 3.236 48 HA THR 6 HA THR 6 -0.815 -8.014 3.168 49 HB THR 6 HB THR 6 -1.438 -7.896 5.630 50 HG1 THR 6 HG1 THR 6 -1.637 -5.957 6.561 51 HG21 THR 6 HG21 THR 6 0.868 -8.188 4.920 52 HG22 THR 6 HG22 THR 6 0.799 -7.106 6.310 53 HG23 THR 6 HG23 THR 6 1.040 -6.449 4.689 54 H TRP 7 HN TRP 7 -3.009 -6.059 2.065 55 HA TRP 7 HA TRP 7 -5.386 -7.002 3.407 56 HB2 TRP 7 HB2 TRP 7 -5.182 -4.689 2.492 57 HB3 TRP 7 HB1 TRP 7 -5.121 -5.369 0.871 58 HD1 TRP 7 HD1 TRP 7 -7.537 -4.495 3.657 59 HE1 TRP 7 HE1 TRP 7 -9.948 -4.790 2.816 60 HE3 TRP 7 HE3 TRP 7 -6.559 -6.835 -0.779 61 HZ2 TRP 7 HZ2 TRP 7 -11.258 -5.868 0.558 62 HZ3 TRP 7 HZ3 TRP 7 -8.446 -7.467 -2.218 63 HH2 TRP 7 HH2 TRP 7 -10.746 -6.995 -1.563 64 HA DPR 8 HA DPR 8 -7.211 -9.852 0.447 65 HB2 DPR 8 HB2 DPR 8 -7.948 -11.583 1.767 66 HB3 DPR 8 HB1 DPR 8 -6.414 -11.712 2.637 67 HG2 DPR 8 HG2 DPR 8 -8.632 -9.729 2.993 68 HG3 DPR 8 HG1 DPR 8 -7.708 -10.606 4.229 69 HD2 DPR 8 HD2 DPR 8 -7.171 -8.035 3.554 70 HD3 DPR 8 HD1 DPR 8 -5.913 -9.168 4.087 71 H GLY 9 HN GLY 9 -6.232 -10.777 -1.232 72 HA2 GLY 9 HA2 GLY 9 -3.621 -12.077 -0.840 73 HA3 GLY 9 HA1 GLY 9 -4.701 -12.343 -2.207 74 H CYS 10 HN CYS 10 -4.321 -9.132 -1.130 75 HA CYS 10 HA CYS 10 -3.127 -8.389 -3.656 76 HB2 CYS 10 HB2 CYS 10 -5.037 -7.138 -2.775 77 HB3 CYS 10 HB1 CYS 10 -4.131 -6.745 -1.321 78 H GLY 11 HN GLY 11 -1.096 -9.541 -3.062 79 HA2 GLY 11 HA2 GLY 11 0.539 -8.327 -0.993 80 HA3 GLY 11 HA1 GLY 11 0.965 -9.709 -1.990 81 H LYS 12 HN LYS 12 0.263 -6.240 -2.423 82 HA LYS 12 HA LYS 12 2.327 -6.121 -4.486 83 HB2 LYS 12 HB2 LYS 12 0.104 -5.054 -4.871 84 HB3 LYS 12 HB1 LYS 12 0.442 -3.949 -3.546 85 HG2 LYS 12 HG2 LYS 12 2.274 -2.979 -4.733 86 HG3 LYS 12 HG1 LYS 12 2.144 -4.184 -6.017 87 HD2 LYS 12 HD2 LYS 12 -0.093 -3.332 -6.575 88 HD3 LYS 12 HD1 LYS 12 0.060 -2.115 -5.309 89 HE2 LYS 12 HE2 LYS 12 1.957 -1.120 -6.467 90 HE3 LYS 12 HE1 LYS 12 1.874 -2.372 -7.708 91 HZ1 LYS 12 HZ1 LYS 12 -0.258 -0.390 -7.126 92 HZ2 LYS 12 HZ2 LYS 12 -0.297 -1.560 -8.344 93 HZ3 LYS 12 HZ3 LYS 12 0.829 -0.302 -8.418 94 H ARG 13 HN ARG 13 4.290 -5.262 -4.163 95 HA ARG 13 HA ARG 13 4.893 -4.378 -1.438 96 HB2 ARG 13 HB2 ARG 13 6.690 -5.381 -3.641 97 HB3 ARG 13 HB1 ARG 13 7.256 -4.848 -2.064 98 HG2 ARG 13 HG2 ARG 13 6.060 -6.624 -0.976 99 HG3 ARG 13 HG1 ARG 13 5.321 -7.109 -2.504 100 HD2 ARG 13 HD2 ARG 13 8.269 -7.161 -1.877 101 HD3 ARG 13 HD1 ARG 13 7.201 -8.566 -1.902 102 HE ARG 13 HE ARG 13 6.860 -7.538 -4.363 103 HH11 ARG 13 HH11 ARG 13 10.690 -8.675 -3.929 104 HH12 ARG 13 HH12 ARG 13 9.732 -8.317 -2.528 105 HH21 ARG 13 HH21 ARG 13 8.117 -7.985 -6.218 106 HH22 ARG 13 HH22 ARG 13 9.770 -8.476 -6.032 107 H PHE 14 HN PHE 14 6.144 -2.566 -1.003 108 HA PHE 14 HA PHE 14 6.473 -0.624 -3.181 109 HB2 PHE 14 HB2 PHE 14 5.183 -0.071 -0.502 110 HB3 PHE 14 HB1 PHE 14 5.583 1.156 -1.702 111 HD1 PHE 14 HD1 PHE 14 3.309 -1.504 -0.769 112 HD2 PHE 14 HD2 PHE 14 4.347 1.299 -3.787 113 HE1 PHE 14 HE1 PHE 14 1.107 -1.822 -1.815 114 HE2 PHE 14 HE2 PHE 14 2.149 0.988 -4.840 115 HZ PHE 14 HZ PHE 14 0.578 -0.666 -3.923 116 H THR 15 HN THR 15 7.942 1.134 -2.622 117 HA THR 15 HA THR 15 9.956 0.276 -0.650 118 HB THR 15 HB THR 15 10.420 2.154 -2.971 119 HG1 THR 15 HG1 THR 15 10.184 -0.629 -2.892 120 HG21 THR 15 HG21 THR 15 12.756 1.489 -2.694 121 HG22 THR 15 HG22 THR 15 12.305 0.392 -1.390 122 HG23 THR 15 HG23 THR 15 12.121 2.132 -1.179 123 H ARG 16 HN ARG 16 7.517 2.455 -1.153 124 HA ARG 16 HA ARG 16 8.694 4.362 0.753 125 HB2 ARG 16 HB2 ARG 16 6.838 4.936 -1.564 126 HB3 ARG 16 HB1 ARG 16 7.230 6.101 -0.308 127 HG2 ARG 16 HG2 ARG 16 9.590 5.980 -0.957 128 HG3 ARG 16 HG1 ARG 16 9.160 4.849 -2.243 129 HD2 ARG 16 HD2 ARG 16 9.386 7.156 -3.072 130 HD3 ARG 16 HD1 ARG 16 7.754 6.524 -3.282 131 HE ARG 16 HE ARG 16 8.212 8.066 -0.870 132 HH11 ARG 16 HH11 ARG 16 7.107 8.087 -4.190 133 HH12 ARG 16 HH12 ARG 16 6.157 9.524 -3.997 134 HH21 ARG 16 HH21 ARG 16 6.948 9.954 -0.610 135 HH22 ARG 16 HH22 ARG 16 6.059 10.584 -1.959 136 H SER 17 HN SER 17 7.500 4.844 2.507 137 HA SER 17 HA SER 17 5.363 3.152 3.246 138 HB2 SER 17 HB2 SER 17 5.219 4.652 5.244 139 HB3 SER 17 HB1 SER 17 6.853 4.069 4.923 140 HG SER 17 HG SER 17 5.839 6.632 4.837 141 H ASP 18 HN ASP 18 5.517 6.483 2.106 142 HA ASP 18 HA ASP 18 2.769 7.069 2.468 143 HB2 ASP 18 HB2 ASP 18 4.453 8.832 2.171 144 HB3 ASP 18 HB1 ASP 18 4.723 8.300 0.513 145 H GLU 19 HN GLU 19 4.551 5.507 -0.096 146 HA GLU 19 HA GLU 19 2.458 5.581 -2.009 147 HB2 GLU 19 HB2 GLU 19 4.988 4.005 -1.752 148 HB3 GLU 19 HB1 GLU 19 3.799 3.580 -2.973 149 HG2 GLU 19 HG2 GLU 19 5.072 6.289 -2.673 150 HG3 GLU 19 HG1 GLU 19 5.551 5.060 -3.844 151 H LEU 20 HN LEU 20 3.427 3.274 0.478 152 HA LEU 20 HA LEU 20 1.452 1.341 -0.137 153 HB2 LEU 20 HB2 LEU 20 3.291 0.742 1.283 154 HB3 LEU 20 HB1 LEU 20 2.866 1.982 2.448 155 HG LEU 20 HG LEU 20 0.801 0.757 2.993 156 HD11 LEU 20 HD11 LEU 20 0.511 -1.542 2.172 157 HD12 LEU 20 HD12 LEU 20 1.861 -1.299 1.063 158 HD13 LEU 20 HD13 LEU 20 0.387 -0.345 0.884 159 HD21 LEU 20 HD21 LEU 20 2.888 0.357 4.247 160 HD22 LEU 20 HD22 LEU 20 3.249 -0.989 3.166 161 HD23 LEU 20 HD23 LEU 20 1.830 -1.053 4.208 162 H GLN 21 HN GLN 21 1.459 4.161 2.020 163 HA GLN 21 HA GLN 21 -1.132 3.883 3.054 164 HB2 GLN 21 HB2 GLN 21 0.407 6.403 2.406 165 HB3 GLN 21 HB1 GLN 21 -1.076 6.362 3.345 166 HG2 GLN 21 HG2 GLN 21 0.077 4.944 5.013 167 HG3 GLN 21 HG1 GLN 21 1.566 5.131 4.089 168 HE21 GLN 21 HE21 GLN 21 0.876 7.903 3.361 169 HE22 GLN 21 HE22 GLN 21 1.182 8.843 4.779 170 H ARG 22 HN ARG 22 0.022 5.708 0.269 171 HA ARG 22 HA ARG 22 -2.335 6.642 -0.806 172 HB2 ARG 22 HB2 ARG 22 -0.123 7.263 -1.624 173 HB3 ARG 22 HB1 ARG 22 0.150 5.630 -2.203 174 HG2 ARG 22 HG2 ARG 22 -1.673 5.922 -3.824 175 HG3 ARG 22 HG1 ARG 22 -1.873 7.587 -3.263 176 HD2 ARG 22 HD2 ARG 22 0.426 8.092 -3.900 177 HD3 ARG 22 HD1 ARG 22 0.664 6.425 -4.416 178 HE ARG 22 HE ARG 22 -1.521 7.606 -5.787 179 HH11 ARG 22 HH11 ARG 22 2.176 7.983 -7.316 180 HH12 ARG 22 HH12 ARG 22 1.974 7.537 -5.647 181 HH21 ARG 22 HH21 ARG 22 -1.267 8.185 -7.986 182 HH22 ARG 22 HH22 ARG 22 0.330 8.353 -8.647 183 H HIS 23 HN HIS 23 -0.705 3.568 -1.454 184 HA HIS 23 HA HIS 23 -2.545 2.496 -3.234 185 HB2 HIS 23 HB2 HIS 23 -0.417 1.454 -3.010 186 HB3 HIS 23 HB1 HIS 23 -0.644 1.210 -1.283 187 HD1 HIS 23 HD1 HIS 23 -1.451 -0.324 -4.609 188 HD2 HIS 23 HD2 HIS 23 -2.307 -0.919 -0.569 189 HE1 HIS 23 HE1 HIS 23 -2.536 -2.620 -4.423 190 H LYS 24 HN LYS 24 -2.359 2.137 0.300 191 HA LYS 24 HA LYS 24 -4.455 0.329 0.581 192 HB2 LYS 24 HB2 LYS 24 -2.872 0.732 2.372 193 HB3 LYS 24 HB1 LYS 24 -3.414 2.397 2.524 194 HG2 LYS 24 HG2 LYS 24 -4.317 1.059 4.315 195 HG3 LYS 24 HG1 LYS 24 -5.615 1.605 3.259 196 HD2 LYS 24 HD2 LYS 24 -6.043 -0.674 3.794 197 HD3 LYS 24 HD1 LYS 24 -5.506 -0.626 2.120 198 HE2 LYS 24 HE2 LYS 24 -4.417 -2.470 3.184 199 HE3 LYS 24 HE1 LYS 24 -3.210 -1.213 2.925 200 HZ1 LYS 24 HZ1 LYS 24 -3.078 -2.230 5.137 201 HZ2 LYS 24 HZ2 LYS 24 -4.639 -1.683 5.485 202 HZ3 LYS 24 HZ3 LYS 24 -3.392 -0.572 5.222 203 H ARG 25 HN ARG 25 -4.533 3.742 0.013 204 HA ARG 25 HA ARG 25 -7.046 4.394 1.031 205 HB2 ARG 25 HB2 ARG 25 -5.667 5.470 -1.429 206 HB3 ARG 25 HB1 ARG 25 -7.059 6.213 -0.651 207 HG2 ARG 25 HG2 ARG 25 -5.725 6.487 1.397 208 HG3 ARG 25 HG1 ARG 25 -4.333 5.814 0.551 209 HD2 ARG 25 HD2 ARG 25 -4.187 8.227 0.539 210 HD3 ARG 25 HD1 ARG 25 -4.483 7.645 -1.099 211 HE ARG 25 HE ARG 25 -6.972 8.182 -0.186 212 HH11 ARG 25 HH11 ARG 25 -4.817 11.567 -0.407 213 HH12 ARG 25 HH12 ARG 25 -4.014 10.040 -0.239 214 HH21 ARG 25 HH21 ARG 25 -7.109 11.655 -0.498 215 HH22 ARG 25 HH22 ARG 25 -8.046 10.197 -0.397 216 H THR 26 HN THR 26 -6.199 2.506 -1.746 217 HA THR 26 HA THR 26 -8.694 2.756 -3.104 218 HB THR 26 HB THR 26 -7.964 0.799 -4.415 219 HG1 THR 26 HG1 THR 26 -5.533 0.815 -2.947 220 HG21 THR 26 HG21 THR 26 -7.205 3.014 -5.080 221 HG22 THR 26 HG22 THR 26 -5.952 1.814 -5.395 222 HG23 THR 26 HG23 THR 26 -5.820 2.880 -3.998 223 H HIS 27 HN HIS 27 -7.389 0.571 -0.674 224 HA HIS 27 HA HIS 27 -9.672 -1.179 -0.745 225 HB2 HIS 27 HB2 HIS 27 -7.487 -0.935 1.339 226 HB3 HIS 27 HB1 HIS 27 -8.672 -2.228 1.252 227 HD1 HIS 27 HD1 HIS 27 -8.507 -3.328 -1.508 228 HD2 HIS 27 HD2 HIS 27 -5.150 -1.863 0.490 229 HE1 HIS 27 HE1 HIS 27 -6.472 -4.411 -2.597 230 H THR 28 HN THR 28 -8.557 1.565 1.100 231 HA THR 28 HA THR 28 -9.688 3.108 2.330 232 HB THR 28 HB THR 28 -12.173 1.463 1.843 233 HG1 THR 28 HG1 THR 28 -10.764 3.308 0.291 234 HG21 THR 28 HG21 THR 28 -12.406 3.012 3.719 235 HG22 THR 28 HG22 THR 28 -13.360 3.560 2.340 236 HG23 THR 28 HG23 THR 28 -11.821 4.336 2.712 237 H GLY 29 HN GLY 29 -11.018 -0.120 3.059 238 HA2 GLY 29 HA2 GLY 29 -10.206 0.314 5.859 239 HA3 GLY 29 HA1 GLY 29 -11.808 -0.299 5.475 240 H GLU 30 HN GLU 30 -10.363 -1.805 7.112 241 HA GLU 30 HA GLU 30 -8.742 -3.724 5.735 242 HB2 GLU 30 HB2 GLU 30 -8.448 -3.130 8.143 243 HB3 GLU 30 HB1 GLU 30 -9.981 -3.914 8.486 244 HG2 GLU 30 HG2 GLU 30 -8.096 -5.342 9.039 245 HG3 GLU 30 HG1 GLU 30 -9.087 -6.043 7.762 246 H LYS 31 HN LYS 31 -11.708 -4.230 7.621 247 HA LYS 31 HA LYS 31 -13.456 -5.663 7.396 248 HB2 LYS 31 HB2 LYS 31 -12.973 -5.116 4.467 249 HB3 LYS 31 HB1 LYS 31 -14.416 -5.870 5.125 250 HG2 LYS 31 HG2 LYS 31 -14.918 -3.838 6.377 251 HG3 LYS 31 HG1 LYS 31 -13.460 -3.081 5.731 252 HD2 LYS 31 HD2 LYS 31 -14.348 -3.316 3.463 253 HD3 LYS 31 HD1 LYS 31 -15.804 -4.070 4.110 254 HE2 LYS 31 HE2 LYS 31 -16.327 -2.024 5.334 255 HE3 LYS 31 HE1 LYS 31 -14.860 -1.269 4.713 256 HZ1 LYS 31 HZ1 LYS 31 -15.739 -1.462 2.482 257 HZ2 LYS 31 HZ2 LYS 31 -16.822 -0.608 3.459 258 HZ3 LYS 31 HZ3 LYS 31 -17.134 -2.221 3.060 259 HN1 NH2 32 HN1 NH2 32 -12.029 -7.331 8.227 260 HN2 NH2 32 HN2 NH2 32 -11.656 -8.696 7.230 Start of MODEL 4 1 H1 ARG 1 HT1 ARG 1 15.155 0.604 2.669 2 H2 ARG 1 HT2 ARG 1 13.876 1.320 1.832 3 H3 ARG 1 HT3 ARG 1 14.541 -0.130 1.276 4 HA ARG 1 HA ARG 1 13.786 -1.272 3.242 5 HB2 ARG 1 HB2 ARG 1 13.860 0.619 4.782 6 HB3 ARG 1 HB1 ARG 1 12.564 1.415 3.902 7 HG2 ARG 1 HG2 ARG 1 11.006 -0.308 4.550 8 HG3 ARG 1 HG1 ARG 1 12.300 -1.213 5.341 9 HD2 ARG 1 HD2 ARG 1 11.350 1.546 6.109 10 HD3 ARG 1 HD1 ARG 1 10.976 0.052 6.970 11 HE ARG 1 HE ARG 1 13.722 0.164 6.850 12 HH11 ARG 1 HH11 ARG 1 11.177 2.181 8.155 13 HH12 ARG 1 HH12 ARG 1 12.178 2.840 9.409 14 HH21 ARG 1 HH21 ARG 1 14.372 2.187 9.597 15 HH22 ARG 1 HH22 ARG 1 15.041 1.042 8.478 16 HA PRO 2 HA PRO 2 10.419 -1.737 0.315 17 HB2 PRO 2 HB2 PRO 2 9.997 -4.348 0.686 18 HB3 PRO 2 HB1 PRO 2 11.451 -3.768 -0.146 19 HG2 PRO 2 HG2 PRO 2 11.125 -4.670 2.691 20 HG3 PRO 2 HG1 PRO 2 12.421 -5.044 1.542 21 HD2 PRO 2 HD2 PRO 2 12.600 -3.105 3.484 22 HD3 PRO 2 HD1 PRO 2 13.529 -3.086 1.970 23 H PHE 3 HN PHE 3 8.185 -2.145 0.430 24 HA PHE 3 HA PHE 3 7.063 -2.527 3.115 25 HB2 PHE 3 HB2 PHE 3 6.285 -0.415 1.099 26 HB3 PHE 3 HB1 PHE 3 5.312 -0.824 2.508 27 HD1 PHE 3 HD1 PHE 3 8.298 0.834 1.300 28 HD2 PHE 3 HD2 PHE 3 6.097 -0.296 4.758 29 HE1 PHE 3 HE1 PHE 3 9.597 2.435 2.644 30 HE2 PHE 3 HE2 PHE 3 7.390 1.299 6.112 31 HZ PHE 3 HZ PHE 3 9.197 2.589 5.094 32 H NLE 4 HN NLE 4 4.867 -3.391 3.087 33 HA NLE 4 HA NLE 4 4.093 -4.589 0.529 34 HB2 NLE 4 HB1 NLE 4 4.406 -6.108 3.118 35 HB3 NLE 4 HB2 NLE 4 5.467 -6.237 1.726 36 HG2 NLE 4 HG1 NLE 4 3.680 -7.178 0.400 37 HG3 NLE 4 HG2 NLE 4 2.542 -6.958 1.732 38 HD2 NLE 4 HD1 NLE 4 3.837 -8.517 3.105 39 HD3 NLE 4 HD2 NLE 4 4.989 -8.731 1.778 40 HE1 NLE 4 HE1 NLE 4 2.048 -9.399 1.688 41 HE2 NLE 4 HE2 NLE 4 3.366 -10.560 1.851 42 HE3 NLE 4 HE3 NLE 4 3.199 -9.617 0.369 43 H CYS 5 HN CYS 5 1.952 -4.618 0.178 44 HA CYS 5 HA CYS 5 0.153 -3.633 2.198 45 HB2 CYS 5 HB2 CYS 5 -0.360 -2.965 -0.023 46 HB3 CYS 5 HB1 CYS 5 -0.251 -4.615 -0.623 47 H THR 6 HN THR 6 -0.634 -4.862 3.754 48 HA THR 6 HA THR 6 -0.555 -7.758 3.429 49 HB THR 6 HB THR 6 -0.972 -7.774 5.911 50 HG1 THR 6 HG1 THR 6 -1.797 -5.431 5.715 51 HG21 THR 6 HG21 THR 6 1.299 -7.025 6.485 52 HG22 THR 6 HG22 THR 6 1.420 -6.221 4.920 53 HG23 THR 6 HG23 THR 6 1.278 -7.977 5.002 54 H TRP 7 HN TRP 7 -2.659 -5.934 2.273 55 HA TRP 7 HA TRP 7 -5.053 -6.713 3.720 56 HB2 TRP 7 HB2 TRP 7 -4.795 -4.441 2.686 57 HB3 TRP 7 HB1 TRP 7 -4.810 -5.210 1.104 58 HD1 TRP 7 HD1 TRP 7 -7.090 -4.066 3.881 59 HE1 TRP 7 HE1 TRP 7 -9.537 -4.376 3.168 60 HE3 TRP 7 HE3 TRP 7 -6.346 -6.801 -0.367 61 HZ2 TRP 7 HZ2 TRP 7 -10.966 -5.620 1.070 62 HZ3 TRP 7 HZ3 TRP 7 -8.305 -7.512 -1.668 63 HH2 TRP 7 HH2 TRP 7 -10.563 -6.934 -0.967 64 HA DPR 8 HA DPR 8 -7.070 -9.501 0.814 65 HB2 DPR 8 HB2 DPR 8 -7.911 -11.162 2.166 66 HB3 DPR 8 HB1 DPR 8 -6.400 -11.336 3.068 67 HG2 DPR 8 HG2 DPR 8 -8.513 -9.227 3.311 68 HG3 DPR 8 HG1 DPR 8 -7.657 -10.106 4.594 69 HD2 DPR 8 HD2 DPR 8 -6.975 -7.590 3.811 70 HD3 DPR 8 HD1 DPR 8 -5.800 -8.758 4.447 71 H GLY 9 HN GLY 9 -6.153 -10.518 -0.845 72 HA2 GLY 9 HA2 GLY 9 -3.597 -11.930 -0.421 73 HA3 GLY 9 HA1 GLY 9 -4.714 -12.233 -1.751 74 H CYS 10 HN CYS 10 -4.292 -8.989 -0.879 75 HA CYS 10 HA CYS 10 -3.056 -8.391 -3.421 76 HB2 CYS 10 HB2 CYS 10 -4.938 -7.053 -2.626 77 HB3 CYS 10 HB1 CYS 10 -4.054 -6.636 -1.166 78 H GLY 11 HN GLY 11 -1.093 -9.642 -2.592 79 HA2 GLY 11 HA2 GLY 11 0.574 -8.303 -0.654 80 HA3 GLY 11 HA1 GLY 11 0.988 -9.738 -1.579 81 H LYS 12 HN LYS 12 0.219 -6.343 -2.317 82 HA LYS 12 HA LYS 12 2.283 -6.288 -4.342 83 HB2 LYS 12 HB2 LYS 12 0.134 -5.113 -4.701 84 HB3 LYS 12 HB1 LYS 12 0.498 -4.056 -3.342 85 HG2 LYS 12 HG2 LYS 12 2.285 -3.037 -4.482 86 HG3 LYS 12 HG1 LYS 12 2.294 -4.276 -5.737 87 HD2 LYS 12 HD2 LYS 12 0.007 -3.514 -6.396 88 HD3 LYS 12 HD1 LYS 12 0.183 -2.181 -5.252 89 HE2 LYS 12 HE2 LYS 12 0.726 -1.520 -7.562 90 HE3 LYS 12 HE1 LYS 12 2.099 -1.344 -6.472 91 HZ1 LYS 12 HZ1 LYS 12 3.073 -3.318 -7.330 92 HZ2 LYS 12 HZ2 LYS 12 2.628 -2.375 -8.658 93 HZ3 LYS 12 HZ3 LYS 12 1.688 -3.708 -8.217 94 H ARG 13 HN ARG 13 4.204 -5.225 -4.231 95 HA ARG 13 HA ARG 13 5.001 -4.381 -1.533 96 HB2 ARG 13 HB2 ARG 13 6.632 -5.587 -3.767 97 HB3 ARG 13 HB1 ARG 13 7.326 -4.944 -2.284 98 HG2 ARG 13 HG2 ARG 13 6.042 -6.568 -0.981 99 HG3 ARG 13 HG1 ARG 13 5.361 -7.218 -2.473 100 HD2 ARG 13 HD2 ARG 13 8.303 -7.141 -1.815 101 HD3 ARG 13 HD1 ARG 13 7.264 -8.546 -1.587 102 HE ARG 13 HE ARG 13 6.898 -7.953 -4.194 103 HH11 ARG 13 HH11 ARG 13 10.717 -9.036 -3.558 104 HH12 ARG 13 HH12 ARG 13 9.767 -8.423 -2.241 105 HH21 ARG 13 HH21 ARG 13 8.137 -8.767 -5.922 106 HH22 ARG 13 HH22 ARG 13 9.787 -9.232 -5.652 107 H PHE 14 HN PHE 14 6.195 -2.559 -1.230 108 HA PHE 14 HA PHE 14 6.483 -0.719 -3.510 109 HB2 PHE 14 HB2 PHE 14 5.467 0.010 -0.751 110 HB3 PHE 14 HB1 PHE 14 5.682 1.118 -2.105 111 HD1 PHE 14 HD1 PHE 14 3.662 -1.631 -0.758 112 HD2 PHE 14 HD2 PHE 14 4.111 1.219 -3.884 113 HE1 PHE 14 HE1 PHE 14 1.375 -2.116 -1.521 114 HE2 PHE 14 HE2 PHE 14 1.821 0.742 -4.648 115 HZ PHE 14 HZ PHE 14 0.453 -0.927 -3.464 116 H THR 15 HN THR 15 7.775 1.305 -2.557 117 HA THR 15 HA THR 15 9.938 0.280 -0.844 118 HB THR 15 HB THR 15 11.449 1.874 -2.141 119 HG1 THR 15 HG1 THR 15 9.323 1.689 -4.040 120 HG21 THR 15 HG21 THR 15 11.820 0.272 -3.974 121 HG22 THR 15 HG22 THR 15 10.277 -0.498 -3.605 122 HG23 THR 15 HG23 THR 15 11.591 -0.546 -2.429 123 H ARG 16 HN ARG 16 7.435 2.365 -1.025 124 HA ARG 16 HA ARG 16 8.647 4.145 0.958 125 HB2 ARG 16 HB2 ARG 16 6.889 5.033 -1.341 126 HB3 ARG 16 HB1 ARG 16 7.447 6.068 -0.034 127 HG2 ARG 16 HG2 ARG 16 9.744 5.755 -0.744 128 HG3 ARG 16 HG1 ARG 16 9.210 4.667 -2.026 129 HD2 ARG 16 HD2 ARG 16 7.909 6.503 -3.010 130 HD3 ARG 16 HD1 ARG 16 8.501 7.584 -1.750 131 HE ARG 16 HE ARG 16 10.739 6.497 -2.941 132 HH11 ARG 16 HH11 ARG 16 8.011 8.439 -3.948 133 HH12 ARG 16 HH12 ARG 16 8.895 9.264 -5.191 134 HH21 ARG 16 HH21 ARG 16 11.906 7.565 -4.586 135 HH22 ARG 16 HH22 ARG 16 11.111 8.762 -5.559 136 H SER 17 HN SER 17 7.358 4.578 2.675 137 HA SER 17 HA SER 17 5.118 2.871 3.091 138 HB2 SER 17 HB2 SER 17 6.771 3.635 4.857 139 HB3 SER 17 HB1 SER 17 5.971 5.208 4.816 140 HG SER 17 HG SER 17 4.230 4.374 5.762 141 H ASP 18 HN ASP 18 5.544 6.192 2.132 142 HA ASP 18 HA ASP 18 2.840 6.993 2.581 143 HB2 ASP 18 HB2 ASP 18 3.399 8.955 1.207 144 HB3 ASP 18 HB1 ASP 18 4.613 8.661 2.445 145 H GLU 19 HN GLU 19 4.560 5.506 -0.081 146 HA GLU 19 HA GLU 19 2.442 5.696 -1.958 147 HB2 GLU 19 HB2 GLU 19 4.887 3.958 -1.776 148 HB3 GLU 19 HB1 GLU 19 3.689 3.731 -3.038 149 HG2 GLU 19 HG2 GLU 19 5.129 6.316 -2.516 150 HG3 GLU 19 HG1 GLU 19 5.611 5.125 -3.724 151 H LEU 20 HN LEU 20 3.435 3.308 0.419 152 HA LEU 20 HA LEU 20 1.464 1.385 -0.148 153 HB2 LEU 20 HB2 LEU 20 3.332 0.843 1.270 154 HB3 LEU 20 HB1 LEU 20 2.867 2.078 2.428 155 HG LEU 20 HG LEU 20 0.835 0.800 2.971 156 HD11 LEU 20 HD11 LEU 20 0.467 -0.336 0.877 157 HD12 LEU 20 HD12 LEU 20 0.647 -1.524 2.166 158 HD13 LEU 20 HD13 LEU 20 1.981 -1.223 1.055 159 HD21 LEU 20 HD21 LEU 20 1.899 -0.922 4.246 160 HD22 LEU 20 HD22 LEU 20 2.970 0.478 4.216 161 HD23 LEU 20 HD23 LEU 20 3.303 -0.910 3.184 162 H GLN 21 HN GLN 21 1.454 4.186 2.047 163 HA GLN 21 HA GLN 21 -1.143 3.850 3.056 164 HB2 GLN 21 HB2 GLN 21 0.545 6.314 2.646 165 HB3 GLN 21 HB1 GLN 21 -1.048 6.378 3.386 166 HG2 GLN 21 HG2 GLN 21 -0.284 4.859 5.148 167 HG3 GLN 21 HG1 GLN 21 1.317 4.822 4.410 168 HE21 GLN 21 HE21 GLN 21 0.424 5.735 7.061 169 HE22 GLN 21 HE22 GLN 21 0.969 7.371 7.198 170 H ARG 22 HN ARG 22 0.011 5.713 0.263 171 HA ARG 22 HA ARG 22 -2.458 6.674 -0.618 172 HB2 ARG 22 HB2 ARG 22 -0.291 7.454 -1.505 173 HB3 ARG 22 HB1 ARG 22 -0.053 5.896 -2.287 174 HG2 ARG 22 HG2 ARG 22 -1.930 6.277 -3.736 175 HG3 ARG 22 HG1 ARG 22 -2.334 7.768 -2.883 176 HD2 ARG 22 HD2 ARG 22 -1.204 8.353 -4.906 177 HD3 ARG 22 HD1 ARG 22 -0.113 8.678 -3.564 178 HE ARG 22 HE ARG 22 1.221 6.851 -4.228 179 HH11 ARG 22 HH11 ARG 22 -0.816 6.483 -7.680 180 HH12 ARG 22 HH12 ARG 22 -1.515 7.363 -6.359 181 HH21 ARG 22 HH21 ARG 22 2.164 5.721 -5.981 182 HH22 ARG 22 HH22 ARG 22 1.271 5.548 -7.464 183 H HIS 23 HN HIS 23 -0.745 3.684 -1.397 184 HA HIS 23 HA HIS 23 -2.587 2.609 -3.195 185 HB2 HIS 23 HB2 HIS 23 -0.449 1.589 -3.044 186 HB3 HIS 23 HB1 HIS 23 -0.610 1.338 -1.311 187 HD1 HIS 23 HD1 HIS 23 -1.436 -0.243 -4.603 188 HD2 HIS 23 HD2 HIS 23 -2.224 -0.813 -0.551 189 HE1 HIS 23 HE1 HIS 23 -2.486 -2.555 -4.380 190 H LYS 24 HN LYS 24 -2.369 2.277 0.332 191 HA LYS 24 HA LYS 24 -4.424 0.452 0.719 192 HB2 LYS 24 HB2 LYS 24 -3.374 2.654 2.476 193 HB3 LYS 24 HB1 LYS 24 -4.645 1.565 3.008 194 HG2 LYS 24 HG2 LYS 24 -1.875 0.744 2.157 195 HG3 LYS 24 HG1 LYS 24 -2.456 0.866 3.816 196 HD2 LYS 24 HD2 LYS 24 -4.209 -0.823 3.237 197 HD3 LYS 24 HD1 LYS 24 -3.410 -1.028 1.677 198 HE2 LYS 24 HE2 LYS 24 -2.688 -2.758 3.212 199 HE3 LYS 24 HE1 LYS 24 -1.344 -1.678 2.842 200 HZ1 LYS 24 HZ1 LYS 24 -1.715 -0.550 4.943 201 HZ2 LYS 24 HZ2 LYS 24 -1.445 -2.198 5.197 202 HZ3 LYS 24 HZ3 LYS 24 -3.013 -1.575 5.293 203 H ARG 25 HN ARG 25 -4.605 3.824 -0.048 204 HA ARG 25 HA ARG 25 -7.188 4.380 0.885 205 HB2 ARG 25 HB2 ARG 25 -5.672 5.530 -1.453 206 HB3 ARG 25 HB1 ARG 25 -7.184 6.189 -0.846 207 HG2 ARG 25 HG2 ARG 25 -6.113 6.562 1.336 208 HG3 ARG 25 HG1 ARG 25 -4.591 5.973 0.669 209 HD2 ARG 25 HD2 ARG 25 -4.652 8.417 0.659 210 HD3 ARG 25 HD1 ARG 25 -4.617 7.784 -0.986 211 HE ARG 25 HE ARG 25 -7.244 8.095 -0.587 212 HH11 ARG 25 HH11 ARG 25 -5.495 11.691 -0.253 213 HH12 ARG 25 HH12 ARG 25 -4.570 10.258 0.048 214 HH21 ARG 25 HH21 ARG 25 -7.708 11.532 -0.841 215 HH22 ARG 25 HH22 ARG 25 -8.456 9.974 -0.994 216 H THR 26 HN THR 26 -6.180 2.421 -1.770 217 HA THR 26 HA THR 26 -8.649 2.597 -3.217 218 HB THR 26 HB THR 26 -7.842 0.633 -4.478 219 HG1 THR 26 HG1 THR 26 -5.479 0.784 -2.890 220 HG21 THR 26 HG21 THR 26 -7.161 2.867 -5.178 221 HG22 THR 26 HG22 THR 26 -5.873 1.701 -5.480 222 HG23 THR 26 HG23 THR 26 -5.767 2.793 -4.101 223 H HIS 27 HN HIS 27 -7.374 0.602 -0.645 224 HA HIS 27 HA HIS 27 -9.638 -1.211 -0.717 225 HB2 HIS 27 HB2 HIS 27 -7.457 -0.940 1.366 226 HB3 HIS 27 HB1 HIS 27 -8.625 -2.251 1.260 227 HD1 HIS 27 HD1 HIS 27 -8.405 -3.390 -1.454 228 HD2 HIS 27 HD2 HIS 27 -5.097 -1.779 0.509 229 HE1 HIS 27 HE1 HIS 27 -6.339 -4.438 -2.521 230 H THR 28 HN THR 28 -8.402 1.426 1.245 231 HA THR 28 HA THR 28 -10.851 1.406 2.849 232 HB THR 28 HB THR 28 -9.544 2.966 4.363 233 HG1 THR 28 HG1 THR 28 -7.442 2.136 2.617 234 HG21 THR 28 HG21 THR 28 -8.470 0.178 3.924 235 HG22 THR 28 HG22 THR 28 -9.853 0.620 4.926 236 HG23 THR 28 HG23 THR 28 -8.231 1.143 5.380 237 H GLY 29 HN GLY 29 -11.827 2.331 0.825 238 HA2 GLY 29 HA2 GLY 29 -11.159 5.055 0.173 239 HA3 GLY 29 HA1 GLY 29 -12.482 4.115 -0.498 240 H GLU 30 HN GLU 30 -13.345 3.429 2.272 241 HA GLU 30 HA GLU 30 -15.269 5.488 2.537 242 HB2 GLU 30 HB2 GLU 30 -15.611 3.098 3.222 243 HB3 GLU 30 HB1 GLU 30 -14.555 3.398 4.596 244 HG2 GLU 30 HG2 GLU 30 -16.886 3.528 5.244 245 HG3 GLU 30 HG1 GLU 30 -16.090 5.092 5.425 246 H LYS 31 HN LYS 31 -12.578 4.529 4.667 247 HA LYS 31 HA LYS 31 -12.702 7.213 5.867 248 HB2 LYS 31 HB2 LYS 31 -11.499 4.699 7.031 249 HB3 LYS 31 HB1 LYS 31 -11.622 6.255 7.834 250 HG2 LYS 31 HG2 LYS 31 -13.922 4.501 6.999 251 HG3 LYS 31 HG1 LYS 31 -13.321 4.726 8.641 252 HD2 LYS 31 HD2 LYS 31 -13.913 7.092 8.540 253 HD3 LYS 31 HD1 LYS 31 -14.494 6.882 6.886 254 HE2 LYS 31 HE2 LYS 31 -16.169 5.276 7.697 255 HE3 LYS 31 HE1 LYS 31 -15.601 5.535 9.346 256 HZ1 LYS 31 HZ1 LYS 31 -17.572 6.843 8.869 257 HZ2 LYS 31 HZ2 LYS 31 -16.787 7.608 7.584 258 HZ3 LYS 31 HZ3 LYS 31 -16.250 7.855 9.165 259 HN1 NH2 32 HN1 NH2 32 -11.452 8.140 4.249 260 HN2 NH2 32 HN2 NH2 32 -9.751 7.851 4.115 Start of MODEL 5 1 H1 ARG 1 HT1 ARG 1 12.975 0.348 3.754 2 H2 ARG 1 HT2 ARG 1 13.736 -1.158 3.747 3 H3 ARG 1 HT3 ARG 1 13.820 -0.183 5.121 4 HA ARG 1 HA ARG 1 12.259 -1.963 5.446 5 HB2 ARG 1 HB2 ARG 1 11.067 0.800 5.183 6 HB3 ARG 1 HB1 ARG 1 10.243 -0.541 5.968 7 HG2 ARG 1 HG2 ARG 1 11.990 -0.701 7.620 8 HG3 ARG 1 HG1 ARG 1 12.919 0.554 6.803 9 HD2 ARG 1 HD2 ARG 1 11.187 2.185 7.276 10 HD3 ARG 1 HD1 ARG 1 10.182 0.937 8.017 11 HE ARG 1 HE ARG 1 12.319 0.725 9.532 12 HH11 ARG 1 HH11 ARG 1 10.773 3.652 8.369 13 HH12 ARG 1 HH12 ARG 1 11.267 4.600 9.734 14 HH21 ARG 1 HH21 ARG 1 12.509 3.653 11.412 15 HH22 ARG 1 HH22 ARG 1 12.960 1.979 11.326 16 HA PRO 2 HA PRO 2 10.439 -3.038 1.416 17 HB2 PRO 2 HB2 PRO 2 9.989 -5.574 2.858 18 HB3 PRO 2 HB1 PRO 2 10.809 -5.291 1.317 19 HG2 PRO 2 HG2 PRO 2 12.175 -5.953 3.522 20 HG3 PRO 2 HG1 PRO 2 12.829 -4.819 2.327 21 HD2 PRO 2 HD2 PRO 2 11.552 -4.247 4.980 22 HD3 PRO 2 HD1 PRO 2 12.981 -3.498 4.229 23 H PHE 3 HN PHE 3 8.534 -1.906 1.442 24 HA PHE 3 HA PHE 3 6.526 -2.469 3.457 25 HB2 PHE 3 HB2 PHE 3 6.561 -0.561 1.121 26 HB3 PHE 3 HB1 PHE 3 5.221 -0.712 2.248 27 HD1 PHE 3 HD1 PHE 3 8.250 0.933 1.538 28 HD2 PHE 3 HD2 PHE 3 5.782 -0.358 4.750 29 HE1 PHE 3 HE1 PHE 3 9.341 2.559 3.019 30 HE2 PHE 3 HE2 PHE 3 6.867 1.270 6.242 31 HZ PHE 3 HZ PHE 3 8.623 2.725 5.399 32 H NLE 4 HN NLE 4 4.470 -3.307 3.033 33 HA NLE 4 HA NLE 4 3.901 -4.357 0.401 34 HB2 NLE 4 HB1 NLE 4 4.214 -6.173 2.789 35 HB3 NLE 4 HB2 NLE 4 5.328 -6.079 1.438 36 HG2 NLE 4 HG1 NLE 4 3.570 -6.871 -0.067 37 HG3 NLE 4 HG2 NLE 4 2.456 -6.970 1.300 38 HD2 NLE 4 HD1 NLE 4 3.941 -8.609 2.378 39 HD3 NLE 4 HD2 NLE 4 5.022 -8.531 0.977 40 HE1 NLE 4 HE1 NLE 4 3.542 -10.457 0.816 41 HE2 NLE 4 HE2 NLE 4 3.190 -9.292 -0.461 42 HE3 NLE 4 HE3 NLE 4 2.136 -9.402 0.949 43 H CYS 5 HN CYS 5 1.790 -4.346 0.011 44 HA CYS 5 HA CYS 5 -0.101 -3.586 2.003 45 HB2 CYS 5 HB2 CYS 5 -0.547 -2.842 -0.200 46 HB3 CYS 5 HB1 CYS 5 -0.348 -4.455 -0.871 47 H THR 6 HN THR 6 -1.487 -4.843 3.152 48 HA THR 6 HA THR 6 -1.160 -7.747 2.828 49 HB THR 6 HB THR 6 -1.666 -7.821 5.333 50 HG1 THR 6 HG1 THR 6 -2.348 -5.592 5.473 51 HG21 THR 6 HG21 THR 6 0.673 -7.382 5.925 52 HG22 THR 6 HG22 THR 6 0.900 -6.535 4.395 53 HG23 THR 6 HG23 THR 6 0.552 -8.264 4.402 54 H TRP 7 HN TRP 7 -3.217 -5.898 1.716 55 HA TRP 7 HA TRP 7 -5.629 -6.671 3.133 56 HB2 TRP 7 HB2 TRP 7 -5.339 -4.404 2.077 57 HB3 TRP 7 HB1 TRP 7 -5.385 -5.195 0.505 58 HD1 TRP 7 HD1 TRP 7 -7.614 -4.004 3.309 59 HE1 TRP 7 HE1 TRP 7 -10.074 -4.311 2.643 60 HE3 TRP 7 HE3 TRP 7 -6.965 -6.801 -0.923 61 HZ2 TRP 7 HZ2 TRP 7 -11.552 -5.573 0.596 62 HZ3 TRP 7 HZ3 TRP 7 -8.959 -7.520 -2.170 63 HH2 TRP 7 HH2 TRP 7 -11.198 -6.921 -1.428 64 HA DPR 8 HA DPR 8 -7.451 -9.561 0.185 65 HB2 DPR 8 HB2 DPR 8 -8.426 -11.138 1.539 66 HB3 DPR 8 HB1 DPR 8 -6.978 -11.324 2.537 67 HG2 DPR 8 HG2 DPR 8 -9.061 -9.172 2.606 68 HG3 DPR 8 HG1 DPR 8 -8.302 -10.037 3.958 69 HD2 DPR 8 HD2 DPR 8 -7.526 -7.554 3.202 70 HD3 DPR 8 HD1 DPR 8 -6.393 -8.745 3.874 71 H GLY 9 HN GLY 9 -6.348 -10.603 -1.343 72 HA2 GLY 9 HA2 GLY 9 -3.822 -11.940 -0.621 73 HA3 GLY 9 HA1 GLY 9 -4.793 -12.311 -2.043 74 H CYS 10 HN CYS 10 -4.591 -9.019 -1.356 75 HA CYS 10 HA CYS 10 -3.147 -8.471 -3.762 76 HB2 CYS 10 HB2 CYS 10 -4.979 -7.039 -3.029 77 HB3 CYS 10 HB1 CYS 10 -4.131 -6.675 -1.534 78 H GLY 11 HN GLY 11 -1.027 -9.080 -3.682 79 HA2 GLY 11 HA2 GLY 11 0.539 -8.390 -1.300 80 HA3 GLY 11 HA1 GLY 11 0.995 -9.559 -2.527 81 H LYS 12 HN LYS 12 -0.073 -6.202 -2.842 82 HA LYS 12 HA LYS 12 2.005 -5.588 -4.696 83 HB2 LYS 12 HB2 LYS 12 -0.244 -4.492 -4.683 84 HB3 LYS 12 HB1 LYS 12 0.207 -3.677 -3.193 85 HG2 LYS 12 HG2 LYS 12 0.507 -2.157 -5.006 86 HG3 LYS 12 HG1 LYS 12 2.098 -2.627 -4.405 87 HD2 LYS 12 HD2 LYS 12 2.261 -4.276 -6.240 88 HD3 LYS 12 HD1 LYS 12 0.710 -3.704 -6.857 89 HE2 LYS 12 HE2 LYS 12 2.547 -2.680 -8.080 90 HE3 LYS 12 HE1 LYS 12 1.660 -1.467 -7.160 91 HZ1 LYS 12 HZ1 LYS 12 4.078 -1.194 -7.006 92 HZ2 LYS 12 HZ2 LYS 12 4.213 -2.720 -6.294 93 HZ3 LYS 12 HZ3 LYS 12 3.384 -1.486 -5.495 94 H ARG 13 HN ARG 13 3.996 -4.856 -4.317 95 HA ARG 13 HA ARG 13 4.736 -4.292 -1.534 96 HB2 ARG 13 HB2 ARG 13 6.364 -5.241 -3.888 97 HB3 ARG 13 HB1 ARG 13 7.071 -4.767 -2.349 98 HG2 ARG 13 HG2 ARG 13 5.966 -6.538 -1.206 99 HG3 ARG 13 HG1 ARG 13 4.997 -6.921 -2.631 100 HD2 ARG 13 HD2 ARG 13 6.822 -8.519 -2.356 101 HD3 ARG 13 HD1 ARG 13 7.014 -7.581 -3.835 102 HE ARG 13 HE ARG 13 8.487 -6.202 -2.034 103 HH11 ARG 13 HH11 ARG 13 10.078 -9.834 -2.689 104 HH12 ARG 13 HH12 ARG 13 8.390 -9.566 -2.985 105 HH21 ARG 13 HH21 ARG 13 10.717 -6.540 -1.653 106 HH22 ARG 13 HH22 ARG 13 11.404 -8.109 -1.931 107 H PHE 14 HN PHE 14 6.194 -2.585 -1.061 108 HA PHE 14 HA PHE 14 6.406 -0.476 -3.087 109 HB2 PHE 14 HB2 PHE 14 5.386 0.002 -0.284 110 HB3 PHE 14 HB1 PHE 14 5.540 1.197 -1.570 111 HD1 PHE 14 HD1 PHE 14 3.553 -1.477 -0.182 112 HD2 PHE 14 HD2 PHE 14 4.027 1.157 -3.478 113 HE1 PHE 14 HE1 PHE 14 1.244 -1.942 -0.883 114 HE2 PHE 14 HE2 PHE 14 1.717 0.702 -4.181 115 HZ PHE 14 HZ PHE 14 0.355 -0.925 -2.925 116 H THR 15 HN THR 15 8.015 1.090 -2.631 117 HA THR 15 HA THR 15 10.053 0.195 -0.725 118 HB THR 15 HB THR 15 11.486 1.899 -1.986 119 HG1 THR 15 HG1 THR 15 10.592 2.946 -3.596 120 HG21 THR 15 HG21 THR 15 10.393 -0.453 -3.543 121 HG22 THR 15 HG22 THR 15 11.689 -0.524 -2.349 122 HG23 THR 15 HG23 THR 15 11.921 0.371 -3.850 123 H ARG 16 HN ARG 16 7.639 2.523 -1.200 124 HA ARG 16 HA ARG 16 8.747 4.175 0.966 125 HB2 ARG 16 HB2 ARG 16 7.208 5.007 -1.487 126 HB3 ARG 16 HB1 ARG 16 7.382 6.053 -0.088 127 HG2 ARG 16 HG2 ARG 16 9.851 5.880 -0.361 128 HG3 ARG 16 HG1 ARG 16 9.562 5.005 -1.866 129 HD2 ARG 16 HD2 ARG 16 9.971 7.405 -2.240 130 HD3 ARG 16 HD1 ARG 16 8.371 6.900 -2.776 131 HE ARG 16 HE ARG 16 8.349 7.894 -0.096 132 HH11 ARG 16 HH11 ARG 16 8.351 8.865 -3.452 133 HH12 ARG 16 HH12 ARG 16 7.556 10.378 -3.151 134 HH21 ARG 16 HH21 ARG 16 7.276 9.868 0.312 135 HH22 ARG 16 HH22 ARG 16 6.949 10.951 -1.006 136 H SER 17 HN SER 17 7.375 4.827 2.576 137 HA SER 17 HA SER 17 5.095 3.197 3.064 138 HB2 SER 17 HB2 SER 17 4.872 4.678 5.108 139 HB3 SER 17 HB1 SER 17 6.426 3.856 4.940 140 HG SER 17 HG SER 17 6.135 6.358 5.332 141 H ASP 18 HN ASP 18 5.627 6.432 1.864 142 HA ASP 18 HA ASP 18 3.012 7.444 2.018 143 HB2 ASP 18 HB2 ASP 18 5.071 7.932 -0.155 144 HB3 ASP 18 HB1 ASP 18 3.628 8.900 0.117 145 H GLU 19 HN GLU 19 4.574 5.403 -0.378 146 HA GLU 19 HA GLU 19 2.378 5.345 -2.166 147 HB2 GLU 19 HB2 GLU 19 4.883 3.725 -1.889 148 HB3 GLU 19 HB1 GLU 19 3.629 3.260 -3.025 149 HG2 GLU 19 HG2 GLU 19 4.951 5.959 -2.989 150 HG3 GLU 19 HG1 GLU 19 5.445 4.618 -4.024 151 H LEU 20 HN LEU 20 3.473 3.234 0.448 152 HA LEU 20 HA LEU 20 1.544 1.226 0.078 153 HB2 LEU 20 HB2 LEU 20 3.407 0.825 1.525 154 HB3 LEU 20 HB1 LEU 20 2.956 2.159 2.567 155 HG LEU 20 HG LEU 20 0.979 0.944 3.323 156 HD11 LEU 20 HD11 LEU 20 1.937 -1.267 1.514 157 HD12 LEU 20 HD12 LEU 20 0.483 -0.295 1.288 158 HD13 LEU 20 HD13 LEU 20 0.612 -1.382 2.670 159 HD21 LEU 20 HD21 LEU 20 3.154 0.621 4.466 160 HD22 LEU 20 HD22 LEU 20 3.422 -0.815 3.476 161 HD23 LEU 20 HD23 LEU 20 2.073 -0.764 4.609 162 H GLN 21 HN GLN 21 1.463 4.171 2.082 163 HA GLN 21 HA GLN 21 -1.131 3.801 3.111 164 HB2 GLN 21 HB2 GLN 21 0.406 6.348 2.565 165 HB3 GLN 21 HB1 GLN 21 -1.107 6.281 3.459 166 HG2 GLN 21 HG2 GLN 21 -0.039 4.859 5.142 167 HG3 GLN 21 HG1 GLN 21 1.477 4.950 4.248 168 HE21 GLN 21 HE21 GLN 21 2.571 5.927 5.934 169 HE22 GLN 21 HE22 GLN 21 2.289 7.571 6.395 170 H ARG 22 HN ARG 22 0.012 5.676 0.340 171 HA ARG 22 HA ARG 22 -2.362 6.625 -0.681 172 HB2 ARG 22 HB2 ARG 22 -0.228 7.293 -1.583 173 HB3 ARG 22 HB1 ARG 22 0.124 5.653 -2.097 174 HG2 ARG 22 HG2 ARG 22 -1.693 5.789 -3.734 175 HG3 ARG 22 HG1 ARG 22 -2.009 7.451 -3.227 176 HD2 ARG 22 HD2 ARG 22 0.197 8.135 -3.925 177 HD3 ARG 22 HD1 ARG 22 0.641 6.469 -4.289 178 HE ARG 22 HE ARG 22 -1.630 7.510 -5.762 179 HH11 ARG 22 HH11 ARG 22 2.005 7.047 -7.413 180 HH12 ARG 22 HH12 ARG 22 1.826 6.908 -5.688 181 HH21 ARG 22 HH21 ARG 22 -1.391 7.683 -8.023 182 HH22 ARG 22 HH22 ARG 22 0.174 7.479 -8.741 183 H HIS 23 HN HIS 23 -0.727 3.613 -1.630 184 HA HIS 23 HA HIS 23 -2.715 2.645 -3.316 185 HB2 HIS 23 HB2 HIS 23 -0.586 1.631 -3.440 186 HB3 HIS 23 HB1 HIS 23 -0.564 1.279 -1.717 187 HD1 HIS 23 HD1 HIS 23 -1.493 -0.219 -4.980 188 HD2 HIS 23 HD2 HIS 23 -2.302 -0.843 -0.929 189 HE1 HIS 23 HE1 HIS 23 -2.545 -2.539 -4.786 190 H LYS 24 HN LYS 24 -2.215 2.108 0.152 191 HA LYS 24 HA LYS 24 -4.138 0.140 0.538 192 HB2 LYS 24 HB2 LYS 24 -2.416 0.864 2.202 193 HB3 LYS 24 HB1 LYS 24 -3.375 2.304 2.507 194 HG2 LYS 24 HG2 LYS 24 -3.885 0.817 4.247 195 HG3 LYS 24 HG1 LYS 24 -5.265 0.754 3.153 196 HD2 LYS 24 HD2 LYS 24 -4.747 -1.483 3.809 197 HD3 LYS 24 HD1 LYS 24 -4.259 -1.294 2.127 198 HE2 LYS 24 HE2 LYS 24 -2.558 -2.507 3.357 199 HE3 LYS 24 HE1 LYS 24 -1.936 -0.936 2.858 200 HZ1 LYS 24 HZ1 LYS 24 -1.330 -1.452 5.140 201 HZ2 LYS 24 HZ2 LYS 24 -2.957 -1.604 5.569 202 HZ3 LYS 24 HZ3 LYS 24 -2.350 -0.103 5.090 203 H ARG 25 HN ARG 25 -4.470 3.591 0.206 204 HA ARG 25 HA ARG 25 -7.051 3.845 1.309 205 HB2 ARG 25 HB2 ARG 25 -5.579 5.524 -0.712 206 HB3 ARG 25 HB1 ARG 25 -7.118 5.984 0.007 207 HG2 ARG 25 HG2 ARG 25 -6.137 6.023 2.202 208 HG3 ARG 25 HG1 ARG 25 -4.608 5.416 1.565 209 HD2 ARG 25 HD2 ARG 25 -4.405 7.459 0.191 210 HD3 ARG 25 HD1 ARG 25 -5.892 8.072 0.916 211 HE ARG 25 HE ARG 25 -4.470 7.654 3.096 212 HH11 ARG 25 HH11 ARG 25 -2.247 10.057 0.769 213 HH12 ARG 25 HH12 ARG 25 -3.489 9.076 0.055 214 HH21 ARG 25 HH21 ARG 25 -1.879 9.990 3.034 215 HH22 ARG 25 HH22 ARG 25 -2.841 8.955 4.043 216 H THR 26 HN THR 26 -6.037 2.447 -1.652 217 HA THR 26 HA THR 26 -8.456 2.916 -3.099 218 HB THR 26 HB THR 26 -7.734 1.157 -4.627 219 HG1 THR 26 HG1 THR 26 -5.446 0.740 -2.990 220 HG21 THR 26 HG21 THR 26 -5.610 2.119 -5.357 221 HG22 THR 26 HG22 THR 26 -5.431 2.921 -3.798 222 HG23 THR 26 HG23 THR 26 -6.744 3.381 -4.880 223 H HIS 27 HN HIS 27 -7.328 0.508 -0.817 224 HA HIS 27 HA HIS 27 -9.741 -1.088 -1.098 225 HB2 HIS 27 HB2 HIS 27 -7.614 -1.280 1.042 226 HB3 HIS 27 HB1 HIS 27 -8.833 -2.484 0.661 227 HD1 HIS 27 HD1 HIS 27 -8.475 -3.438 -2.038 228 HD2 HIS 27 HD2 HIS 27 -5.242 -1.895 0.096 229 HE1 HIS 27 HE1 HIS 27 -6.367 -4.425 -3.084 230 H THR 28 HN THR 28 -8.165 0.894 1.382 231 HA THR 28 HA THR 28 -10.783 1.369 2.620 232 HB THR 28 HB THR 28 -8.232 0.777 4.135 233 HG1 THR 28 HG1 THR 28 -10.276 -0.841 3.176 234 HG21 THR 28 HG21 THR 28 -9.674 0.730 6.100 235 HG22 THR 28 HG22 THR 28 -11.075 1.111 5.100 236 HG23 THR 28 HG23 THR 28 -9.783 2.296 5.295 237 H GLY 29 HN GLY 29 -10.861 3.458 1.763 238 HA2 GLY 29 HA2 GLY 29 -8.971 5.329 3.031 239 HA3 GLY 29 HA1 GLY 29 -9.432 5.519 1.346 240 H GLU 30 HN GLU 30 -12.076 5.055 1.369 241 HA GLU 30 HA GLU 30 -13.097 7.351 2.833 242 HB2 GLU 30 HB2 GLU 30 -13.562 6.926 0.361 243 HB3 GLU 30 HB1 GLU 30 -14.619 5.624 0.889 244 HG2 GLU 30 HG2 GLU 30 -15.863 7.662 0.423 245 HG3 GLU 30 HG1 GLU 30 -15.988 7.196 2.119 246 H LYS 31 HN LYS 31 -13.611 3.878 2.525 247 HA LYS 31 HA LYS 31 -15.056 3.936 5.082 248 HB2 LYS 31 HB2 LYS 31 -16.638 3.584 3.203 249 HB3 LYS 31 HB1 LYS 31 -15.719 2.165 2.724 250 HG2 LYS 31 HG2 LYS 31 -16.234 1.126 4.894 251 HG3 LYS 31 HG1 LYS 31 -17.212 2.535 5.313 252 HD2 LYS 31 HD2 LYS 31 -18.642 2.099 3.363 253 HD3 LYS 31 HD1 LYS 31 -17.680 0.667 2.991 254 HE2 LYS 31 HE2 LYS 31 -18.284 -0.275 5.185 255 HE3 LYS 31 HE1 LYS 31 -19.295 1.135 5.495 256 HZ1 LYS 31 HZ1 LYS 31 -20.656 0.540 3.593 257 HZ2 LYS 31 HZ2 LYS 31 -20.593 -0.741 4.691 258 HZ3 LYS 31 HZ3 LYS 31 -19.676 -0.799 3.274 259 HN1 NH2 32 HN1 NH2 32 -13.445 3.200 6.346 260 HN2 NH2 32 HN2 NH2 32 -12.629 1.688 6.130 Start of MODEL 6 1 H1 ARG 1 HT1 ARG 1 14.143 -0.411 3.100 2 H2 ARG 1 HT2 ARG 1 14.350 0.866 4.185 3 H3 ARG 1 HT3 ARG 1 13.320 1.043 2.859 4 HA ARG 1 HA ARG 1 12.922 -0.820 5.115 5 HB2 ARG 1 HB2 ARG 1 11.439 1.711 4.368 6 HB3 ARG 1 HB1 ARG 1 10.994 0.618 5.670 7 HG2 ARG 1 HG2 ARG 1 13.144 1.104 6.773 8 HG3 ARG 1 HG1 ARG 1 13.513 2.259 5.493 9 HD2 ARG 1 HD2 ARG 1 11.499 3.543 6.092 10 HD3 ARG 1 HD1 ARG 1 11.172 2.401 7.396 11 HE ARG 1 HE ARG 1 13.788 3.499 7.610 12 HH11 ARG 1 HH11 ARG 1 10.416 4.226 8.208 13 HH12 ARG 1 HH12 ARG 1 10.757 5.371 9.465 14 HH21 ARG 1 HH21 ARG 1 12.927 5.813 10.072 15 HH22 ARG 1 HH22 ARG 1 14.238 5.005 9.275 16 HA PRO 2 HA PRO 2 10.599 -2.809 1.851 17 HB2 PRO 2 HB2 PRO 2 10.056 -5.090 3.165 18 HB3 PRO 2 HB1 PRO 2 11.675 -4.733 2.544 19 HG2 PRO 2 HG2 PRO 2 10.614 -4.480 5.330 20 HG3 PRO 2 HG1 PRO 2 12.183 -5.095 4.782 21 HD2 PRO 2 HD2 PRO 2 11.786 -2.559 5.756 22 HD3 PRO 2 HD1 PRO 2 13.089 -2.996 4.630 23 H PHE 3 HN PHE 3 8.589 -2.093 1.443 24 HA PHE 3 HA PHE 3 6.563 -2.435 3.553 25 HB2 PHE 3 HB2 PHE 3 6.664 -0.428 1.293 26 HB3 PHE 3 HB1 PHE 3 5.288 -0.643 2.371 27 HD1 PHE 3 HD1 PHE 3 8.442 0.960 1.890 28 HD2 PHE 3 HD2 PHE 3 5.648 -0.281 4.847 29 HE1 PHE 3 HE1 PHE 3 9.466 2.511 3.499 30 HE2 PHE 3 HE2 PHE 3 6.666 1.268 6.465 31 HZ PHE 3 HZ PHE 3 8.579 2.667 5.792 32 H NLE 4 HN NLE 4 4.569 -3.324 2.980 33 HA NLE 4 HA NLE 4 4.120 -4.244 0.278 34 HB2 NLE 4 HB1 NLE 4 4.475 -6.210 2.542 35 HB3 NLE 4 HB2 NLE 4 5.634 -5.947 1.251 36 HG2 NLE 4 HG1 NLE 4 4.029 -6.742 -0.387 37 HG3 NLE 4 HG2 NLE 4 2.824 -6.965 0.886 38 HD2 NLE 4 HD1 NLE 4 4.265 -8.622 1.967 39 HD3 NLE 4 HD2 NLE 4 5.481 -8.391 0.701 40 HE1 NLE 4 HE1 NLE 4 3.884 -9.149 -0.978 41 HE2 NLE 4 HE2 NLE 4 2.662 -9.364 0.274 42 HE3 NLE 4 HE3 NLE 4 4.108 -10.371 0.274 43 H CYS 5 HN CYS 5 1.971 -4.531 -0.123 44 HA CYS 5 HA CYS 5 0.105 -3.843 1.945 45 HB2 CYS 5 HB2 CYS 5 -0.400 -3.071 -0.260 46 HB3 CYS 5 HB1 CYS 5 -0.265 -4.693 -0.928 47 H THR 6 HN THR 6 -1.034 -5.165 3.207 48 HA THR 6 HA THR 6 -0.663 -8.054 2.808 49 HB THR 6 HB THR 6 0.392 -7.242 4.853 50 HG1 THR 6 HG1 THR 6 -1.904 -8.880 5.075 51 HG21 THR 6 HG21 THR 6 -0.996 -5.263 5.233 52 HG22 THR 6 HG22 THR 6 -0.927 -6.276 6.676 53 HG23 THR 6 HG23 THR 6 -2.362 -6.295 5.651 54 H TRP 7 HN TRP 7 -2.831 -6.066 1.873 55 HA TRP 7 HA TRP 7 -5.189 -7.056 3.214 56 HB2 TRP 7 HB2 TRP 7 -5.031 -4.725 2.301 57 HB3 TRP 7 HB1 TRP 7 -5.014 -5.409 0.679 58 HD1 TRP 7 HD1 TRP 7 -7.340 -4.491 3.499 59 HE1 TRP 7 HE1 TRP 7 -9.772 -4.899 2.779 60 HE3 TRP 7 HE3 TRP 7 -6.485 -7.049 -0.844 61 HZ2 TRP 7 HZ2 TRP 7 -11.150 -6.151 0.652 62 HZ3 TRP 7 HZ3 TRP 7 -8.413 -7.816 -2.158 63 HH2 TRP 7 HH2 TRP 7 -10.695 -7.376 -1.426 64 HA DPR 8 HA DPR 8 -7.049 -9.841 0.235 65 HB2 DPR 8 HB2 DPR 8 -7.708 -11.633 1.508 66 HB3 DPR 8 HB1 DPR 8 -6.148 -11.753 2.336 67 HG2 DPR 8 HG2 DPR 8 -8.404 -9.839 2.808 68 HG3 DPR 8 HG1 DPR 8 -7.417 -10.718 3.992 69 HD2 DPR 8 HD2 DPR 8 -6.986 -8.110 3.343 70 HD3 DPR 8 HD1 DPR 8 -5.690 -9.208 3.858 71 H GLY 9 HN GLY 9 -6.203 -10.851 -1.465 72 HA2 GLY 9 HA2 GLY 9 -3.529 -12.042 -1.283 73 HA3 GLY 9 HA1 GLY 9 -4.679 -12.283 -2.594 74 H CYS 10 HN CYS 10 -4.185 -9.124 -1.338 75 HA CYS 10 HA CYS 10 -3.107 -8.255 -3.892 76 HB2 CYS 10 HB2 CYS 10 -5.014 -7.066 -2.903 77 HB3 CYS 10 HB1 CYS 10 -4.052 -6.697 -1.478 78 H GLY 11 HN GLY 11 -1.090 -9.502 -3.267 79 HA2 GLY 11 HA2 GLY 11 0.565 -8.315 -1.208 80 HA3 GLY 11 HA1 GLY 11 0.975 -9.694 -2.217 81 H LYS 12 HN LYS 12 0.244 -6.246 -2.705 82 HA LYS 12 HA LYS 12 2.315 -6.077 -4.731 83 HB2 LYS 12 HB2 LYS 12 0.167 -4.908 -5.075 84 HB3 LYS 12 HB1 LYS 12 0.472 -3.935 -3.641 85 HG2 LYS 12 HG2 LYS 12 2.306 -2.838 -4.675 86 HG3 LYS 12 HG1 LYS 12 2.281 -3.954 -6.043 87 HD2 LYS 12 HD2 LYS 12 0.112 -3.102 -6.729 88 HD3 LYS 12 HD1 LYS 12 0.066 -2.034 -5.326 89 HE2 LYS 12 HE2 LYS 12 0.716 -0.833 -7.356 90 HE3 LYS 12 HE1 LYS 12 2.003 -0.823 -6.155 91 HZ1 LYS 12 HZ1 LYS 12 2.862 -1.252 -8.361 92 HZ2 LYS 12 HZ2 LYS 12 1.858 -2.603 -8.529 93 HZ3 LYS 12 HZ3 LYS 12 3.094 -2.608 -7.378 94 H ARG 13 HN ARG 13 4.244 -5.034 -4.518 95 HA ARG 13 HA ARG 13 5.064 -4.551 -1.748 96 HB2 ARG 13 HB2 ARG 13 6.681 -5.134 -4.228 97 HB3 ARG 13 HB1 ARG 13 7.373 -4.820 -2.643 98 HG2 ARG 13 HG2 ARG 13 6.354 -6.796 -1.740 99 HG3 ARG 13 HG1 ARG 13 5.467 -7.068 -3.241 100 HD2 ARG 13 HD2 ARG 13 7.569 -7.397 -4.433 101 HD3 ARG 13 HD1 ARG 13 8.471 -7.099 -2.947 102 HE ARG 13 HE ARG 13 7.050 -9.132 -2.141 103 HH11 ARG 13 HH11 ARG 13 8.732 -10.370 -5.573 104 HH12 ARG 13 HH12 ARG 13 8.496 -8.676 -5.293 105 HH21 ARG 13 HH21 ARG 13 7.355 -11.373 -2.506 106 HH22 ARG 13 HH22 ARG 13 8.083 -11.903 -3.987 107 H PHE 14 HN PHE 14 6.233 -2.764 -1.130 108 HA PHE 14 HA PHE 14 6.502 -0.555 -3.037 109 HB2 PHE 14 HB2 PHE 14 5.255 -0.310 -0.291 110 HB3 PHE 14 HB1 PHE 14 5.551 1.016 -1.414 111 HD1 PHE 14 HD1 PHE 14 3.413 -1.785 -0.572 112 HD2 PHE 14 HD2 PHE 14 4.219 1.242 -3.439 113 HE1 PHE 14 HE1 PHE 14 1.183 -2.127 -1.549 114 HE2 PHE 14 HE2 PHE 14 1.988 0.912 -4.422 115 HZ PHE 14 HZ PHE 14 0.504 -0.842 -3.527 116 H THR 15 HN THR 15 8.093 0.992 -2.416 117 HA THR 15 HA THR 15 9.929 0.050 -0.320 118 HB THR 15 HB THR 15 10.565 1.957 -2.580 119 HG1 THR 15 HG1 THR 15 10.366 -0.822 -2.507 120 HG21 THR 15 HG21 THR 15 12.352 0.289 -0.797 121 HG22 THR 15 HG22 THR 15 12.105 2.029 -0.658 122 HG23 THR 15 HG23 THR 15 12.889 1.361 -2.089 123 H ARG 16 HN ARG 16 7.649 2.393 -1.089 124 HA ARG 16 HA ARG 16 8.691 4.191 0.996 125 HB2 ARG 16 HB2 ARG 16 6.888 4.915 -1.321 126 HB3 ARG 16 HB1 ARG 16 7.538 6.026 -0.124 127 HG2 ARG 16 HG2 ARG 16 9.784 5.623 -0.944 128 HG3 ARG 16 HG1 ARG 16 9.159 4.458 -2.116 129 HD2 ARG 16 HD2 ARG 16 7.785 6.258 -3.101 130 HD3 ARG 16 HD1 ARG 16 8.523 7.400 -1.984 131 HE ARG 16 HE ARG 16 10.595 6.156 -3.345 132 HH11 ARG 16 HH11 ARG 16 7.858 8.204 -4.067 133 HH12 ARG 16 HH12 ARG 16 8.601 8.947 -5.445 134 HH21 ARG 16 HH21 ARG 16 11.590 7.137 -5.177 135 HH22 ARG 16 HH22 ARG 16 10.718 8.340 -6.078 136 H SER 17 HN SER 17 7.362 4.639 2.685 137 HA SER 17 HA SER 17 5.072 3.021 3.112 138 HB2 SER 17 HB2 SER 17 4.801 4.448 5.177 139 HB3 SER 17 HB1 SER 17 6.385 3.684 5.012 140 HG SER 17 HG SER 17 5.931 6.206 5.385 141 H ASP 18 HN ASP 18 5.581 6.338 2.117 142 HA ASP 18 HA ASP 18 2.936 7.265 2.233 143 HB2 ASP 18 HB2 ASP 18 4.798 8.783 1.880 144 HB3 ASP 18 HB1 ASP 18 5.178 8.012 0.343 145 H GLU 19 HN GLU 19 4.684 5.550 -0.299 146 HA GLU 19 HA GLU 19 2.683 5.528 -2.250 147 HB2 GLU 19 HB2 GLU 19 4.972 3.677 -1.649 148 HB3 GLU 19 HB1 GLU 19 3.853 3.353 -2.959 149 HG2 GLU 19 HG2 GLU 19 5.378 5.923 -2.710 150 HG3 GLU 19 HG1 GLU 19 5.974 4.523 -3.598 151 H LEU 20 HN LEU 20 3.422 3.265 0.361 152 HA LEU 20 HA LEU 20 1.352 1.438 -0.208 153 HB2 LEU 20 HB2 LEU 20 3.214 0.812 1.189 154 HB3 LEU 20 HB1 LEU 20 2.801 2.048 2.362 155 HG LEU 20 HG LEU 20 0.751 0.839 2.941 156 HD11 LEU 20 HD11 LEU 20 1.713 -1.171 0.914 157 HD12 LEU 20 HD12 LEU 20 0.233 -0.213 0.839 158 HD13 LEU 20 HD13 LEU 20 0.419 -1.454 2.077 159 HD21 LEU 20 HD21 LEU 20 2.856 0.364 4.136 160 HD22 LEU 20 HD22 LEU 20 3.173 -0.954 3.007 161 HD23 LEU 20 HD23 LEU 20 1.777 -1.029 4.079 162 H GLN 21 HN GLN 21 1.450 4.365 1.779 163 HA GLN 21 HA GLN 21 -1.100 4.080 2.947 164 HB2 GLN 21 HB2 GLN 21 0.459 6.585 2.283 165 HB3 GLN 21 HB1 GLN 21 -1.003 6.557 3.259 166 HG2 GLN 21 HG2 GLN 21 0.120 5.153 4.909 167 HG3 GLN 21 HG1 GLN 21 1.584 5.166 3.927 168 HE21 GLN 21 HE21 GLN 21 -0.453 6.973 6.054 169 HE22 GLN 21 HE22 GLN 21 0.619 8.308 6.283 170 H ARG 22 HN ARG 22 -0.053 5.852 0.048 171 HA ARG 22 HA ARG 22 -2.530 6.738 -0.854 172 HB2 ARG 22 HB2 ARG 22 -0.185 5.767 -2.503 173 HB3 ARG 22 HB1 ARG 22 -1.535 6.695 -3.128 174 HG2 ARG 22 HG2 ARG 22 -0.903 8.588 -1.740 175 HG3 ARG 22 HG1 ARG 22 0.427 7.649 -1.052 176 HD2 ARG 22 HD2 ARG 22 1.424 7.428 -3.284 177 HD3 ARG 22 HD1 ARG 22 0.101 8.369 -3.970 178 HE ARG 22 HE ARG 22 1.490 9.756 -1.883 179 HH11 ARG 22 HH11 ARG 22 2.544 10.313 -5.722 180 HH12 ARG 22 HH12 ARG 22 1.606 8.924 -5.278 181 HH21 ARG 22 HH21 ARG 22 2.723 11.591 -2.457 182 HH22 ARG 22 HH22 ARG 22 3.178 11.836 -4.111 183 H HIS 23 HN HIS 23 -0.839 3.712 -1.564 184 HA HIS 23 HA HIS 23 -2.754 2.560 -3.225 185 HB2 HIS 23 HB2 HIS 23 -0.557 1.622 -3.131 186 HB3 HIS 23 HB1 HIS 23 -0.689 1.332 -1.402 187 HD1 HIS 23 HD1 HIS 23 -1.514 -0.194 -4.715 188 HD2 HIS 23 HD2 HIS 23 -2.302 -0.842 -0.665 189 HE1 HIS 23 HE1 HIS 23 -2.544 -2.521 -4.529 190 H LYS 24 HN LYS 24 -2.328 2.288 0.281 191 HA LYS 24 HA LYS 24 -4.306 0.424 0.818 192 HB2 LYS 24 HB2 LYS 24 -2.722 0.968 2.494 193 HB3 LYS 24 HB1 LYS 24 -3.138 2.671 2.446 194 HG2 LYS 24 HG2 LYS 24 -3.955 1.652 4.468 195 HG3 LYS 24 HG1 LYS 24 -5.299 2.177 3.460 196 HD2 LYS 24 HD2 LYS 24 -5.751 -0.073 2.772 197 HD3 LYS 24 HD1 LYS 24 -4.273 -0.660 3.538 198 HE2 LYS 24 HE2 LYS 24 -5.131 -0.195 5.718 199 HE3 LYS 24 HE1 LYS 24 -6.516 0.666 5.052 200 HZ1 LYS 24 HZ1 LYS 24 -6.986 -1.621 5.851 201 HZ2 LYS 24 HZ2 LYS 24 -6.020 -2.224 4.602 202 HZ3 LYS 24 HZ3 LYS 24 -7.424 -1.351 4.244 203 H ARG 25 HN ARG 25 -4.609 3.796 0.041 204 HA ARG 25 HA ARG 25 -7.173 4.264 1.105 205 HB2 ARG 25 HB2 ARG 25 -5.809 5.514 -1.275 206 HB3 ARG 25 HB1 ARG 25 -7.283 6.125 -0.537 207 HG2 ARG 25 HG2 ARG 25 -6.015 6.377 1.595 208 HG3 ARG 25 HG1 ARG 25 -4.555 5.946 0.702 209 HD2 ARG 25 HD2 ARG 25 -6.350 8.313 0.164 210 HD3 ARG 25 HD1 ARG 25 -4.740 8.363 0.881 211 HE ARG 25 HE ARG 25 -4.837 7.156 -1.741 212 HH11 ARG 25 HH11 ARG 25 -3.701 10.971 -1.226 213 HH12 ARG 25 HH12 ARG 25 -4.517 10.135 0.053 214 HH21 ARG 25 HH21 ARG 25 -3.270 9.903 -3.212 215 HH22 ARG 25 HH22 ARG 25 -3.770 8.256 -3.444 216 H THR 26 HN THR 26 -6.206 2.357 -1.578 217 HA THR 26 HA THR 26 -8.704 2.511 -2.985 218 HB THR 26 HB THR 26 -7.904 0.593 -4.285 219 HG1 THR 26 HG1 THR 26 -5.529 0.643 -2.717 220 HG21 THR 26 HG21 THR 26 -5.760 2.675 -3.851 221 HG22 THR 26 HG22 THR 26 -7.156 2.835 -4.916 222 HG23 THR 26 HG23 THR 26 -5.915 1.632 -5.263 223 H HIS 27 HN HIS 27 -7.375 0.601 -0.403 224 HA HIS 27 HA HIS 27 -9.622 -1.250 -0.440 225 HB2 HIS 27 HB2 HIS 27 -7.326 -1.042 1.520 226 HB3 HIS 27 HB1 HIS 27 -8.505 -2.344 1.449 227 HD1 HIS 27 HD1 HIS 27 -8.463 -3.446 -1.274 228 HD2 HIS 27 HD2 HIS 27 -5.029 -1.831 0.461 229 HE1 HIS 27 HE1 HIS 27 -6.472 -4.459 -2.507 230 H THR 28 HN THR 28 -8.273 1.318 1.569 231 HA THR 28 HA THR 28 -10.861 1.513 2.956 232 HB THR 28 HB THR 28 -8.185 2.166 4.200 233 HG1 THR 28 HG1 THR 28 -9.761 -0.206 4.413 234 HG21 THR 28 HG21 THR 28 -10.115 3.290 5.195 235 HG22 THR 28 HG22 THR 28 -9.469 2.073 6.295 236 HG23 THR 28 HG23 THR 28 -10.935 1.742 5.377 237 H GLY 29 HN GLY 29 -11.810 3.382 2.381 238 HA2 GLY 29 HA2 GLY 29 -11.747 5.809 2.513 239 HA3 GLY 29 HA1 GLY 29 -10.081 5.733 1.956 240 H GLU 30 HN GLU 30 -12.106 3.519 0.432 241 HA GLU 30 HA GLU 30 -12.000 4.990 -2.059 242 HB2 GLU 30 HB2 GLU 30 -11.597 2.542 -2.010 243 HB3 GLU 30 HB1 GLU 30 -13.244 2.300 -1.444 244 HG2 GLU 30 HG2 GLU 30 -13.207 1.831 -3.766 245 HG3 GLU 30 HG1 GLU 30 -14.049 3.363 -3.546 246 H LYS 31 HN LYS 31 -14.412 3.839 0.227 247 HA LYS 31 HA LYS 31 -16.565 5.150 -1.213 248 HB2 LYS 31 HB2 LYS 31 -16.937 2.942 -0.177 249 HB3 LYS 31 HB1 LYS 31 -16.576 3.625 1.400 250 HG2 LYS 31 HG2 LYS 31 -18.526 5.120 1.164 251 HG3 LYS 31 HG1 LYS 31 -18.905 4.334 -0.371 252 HD2 LYS 31 HD2 LYS 31 -19.165 2.199 0.771 253 HD3 LYS 31 HD1 LYS 31 -18.737 2.954 2.307 254 HE2 LYS 31 HE2 LYS 31 -21.137 3.620 0.605 255 HE3 LYS 31 HE1 LYS 31 -21.158 2.677 2.093 256 HZ1 LYS 31 HZ1 LYS 31 -21.814 4.901 2.579 257 HZ2 LYS 31 HZ2 LYS 31 -20.457 5.545 1.811 258 HZ3 LYS 31 HZ3 LYS 31 -20.279 4.666 3.242 259 HN1 NH2 32 HN1 NH2 32 -16.030 7.311 -1.028 260 HN2 NH2 32 HN2 NH2 32 -16.068 8.176 0.471 Start of MODEL 7 1 H1 ARG 1 HT1 ARG 1 14.507 1.132 4.508 2 H2 ARG 1 HT2 ARG 1 13.083 1.684 3.781 3 H3 ARG 1 HT3 ARG 1 14.222 0.835 2.870 4 HA ARG 1 HA ARG 1 13.845 -1.152 4.120 5 HB2 ARG 1 HB2 ARG 1 12.071 -1.241 5.801 6 HB3 ARG 1 HB1 ARG 1 13.301 -0.074 6.259 7 HG2 ARG 1 HG2 ARG 1 11.876 1.749 5.541 8 HG3 ARG 1 HG1 ARG 1 10.655 0.601 4.987 9 HD2 ARG 1 HD2 ARG 1 10.031 1.474 7.159 10 HD3 ARG 1 HD1 ARG 1 10.439 -0.239 7.295 11 HE ARG 1 HE ARG 1 12.645 1.520 7.844 12 HH11 ARG 1 HH11 ARG 1 9.860 -0.110 9.199 13 HH12 ARG 1 HH12 ARG 1 10.470 -0.074 10.823 14 HH21 ARG 1 HH21 ARG 1 12.504 0.899 11.268 15 HH22 ARG 1 HH22 ARG 1 13.446 1.582 9.980 16 HA PRO 2 HA PRO 2 10.662 -1.779 1.106 17 HB2 PRO 2 HB2 PRO 2 10.201 -4.398 1.408 18 HB3 PRO 2 HB1 PRO 2 11.754 -3.801 0.796 19 HG2 PRO 2 HG2 PRO 2 11.037 -4.777 3.529 20 HG3 PRO 2 HG1 PRO 2 12.520 -5.045 2.594 21 HD2 PRO 2 HD2 PRO 2 12.225 -3.146 4.603 22 HD3 PRO 2 HD1 PRO 2 13.462 -3.102 3.332 23 H PHE 3 HN PHE 3 8.454 -1.962 0.886 24 HA PHE 3 HA PHE 3 6.895 -2.378 3.346 25 HB2 PHE 3 HB2 PHE 3 6.500 -0.302 1.188 26 HB3 PHE 3 HB1 PHE 3 5.290 -0.679 2.407 27 HD1 PHE 3 HD1 PHE 3 8.437 0.962 1.711 28 HD2 PHE 3 HD2 PHE 3 5.681 -0.121 4.759 29 HE1 PHE 3 HE1 PHE 3 9.502 2.571 3.237 30 HE2 PHE 3 HE2 PHE 3 6.739 1.480 6.294 31 HZ PHE 3 HZ PHE 3 8.651 2.809 5.559 32 H NLE 4 HN NLE 4 4.797 -3.302 3.030 33 HA NLE 4 HA NLE 4 4.131 -4.231 0.366 34 HB2 NLE 4 HB1 NLE 4 4.716 -6.133 2.634 35 HB3 NLE 4 HB2 NLE 4 5.650 -5.961 1.158 36 HG2 NLE 4 HG1 NLE 4 3.718 -6.748 -0.140 37 HG3 NLE 4 HG2 NLE 4 2.818 -6.963 1.363 38 HD2 NLE 4 HD1 NLE 4 4.530 -8.572 2.127 39 HD3 NLE 4 HD2 NLE 4 5.354 -8.400 0.570 40 HE1 NLE 4 HE1 NLE 4 3.325 -9.178 -0.570 41 HE2 NLE 4 HE2 NLE 4 2.533 -9.382 0.992 42 HE3 NLE 4 HE3 NLE 4 3.931 -10.375 0.574 43 H CYS 5 HN CYS 5 1.996 -4.331 0.070 44 HA CYS 5 HA CYS 5 0.208 -3.933 2.304 45 HB2 CYS 5 HB2 CYS 5 -0.362 -2.758 0.302 46 HB3 CYS 5 HB1 CYS 5 -0.227 -4.220 -0.666 47 H THR 6 HN THR 6 -1.064 -5.466 3.224 48 HA THR 6 HA THR 6 -1.032 -8.137 2.014 49 HB THR 6 HB THR 6 0.649 -8.084 3.810 50 HG1 THR 6 HG1 THR 6 -1.119 -9.887 3.467 51 HG21 THR 6 HG21 THR 6 -1.659 -7.380 5.617 52 HG22 THR 6 HG22 THR 6 -0.292 -6.342 5.214 53 HG23 THR 6 HG23 THR 6 -0.036 -7.813 6.152 54 H TRP 7 HN TRP 7 -2.990 -6.063 1.901 55 HA TRP 7 HA TRP 7 -5.113 -6.747 3.733 56 HB2 TRP 7 HB2 TRP 7 -4.735 -4.424 2.824 57 HB3 TRP 7 HB1 TRP 7 -5.251 -5.020 1.251 58 HD1 TRP 7 HD1 TRP 7 -6.584 -3.928 4.615 59 HE1 TRP 7 HE1 TRP 7 -9.146 -3.809 4.526 60 HE3 TRP 7 HE3 TRP 7 -7.337 -6.167 0.081 61 HZ2 TRP 7 HZ2 TRP 7 -11.217 -4.566 2.768 62 HZ3 TRP 7 HZ3 TRP 7 -9.647 -6.435 -0.725 63 HH2 TRP 7 HH2 TRP 7 -11.541 -5.652 0.588 64 HA DPR 8 HA DPR 8 -7.980 -8.968 1.019 65 HB2 DPR 8 HB2 DPR 8 -8.993 -10.447 2.446 66 HB3 DPR 8 HB1 DPR 8 -7.457 -11.007 3.118 67 HG2 DPR 8 HG2 DPR 8 -9.017 -8.536 3.763 68 HG3 DPR 8 HG1 DPR 8 -8.191 -9.656 4.863 69 HD2 DPR 8 HD2 DPR 8 -7.117 -7.281 4.128 70 HD3 DPR 8 HD1 DPR 8 -6.124 -8.711 4.471 71 H GLY 9 HN GLY 9 -7.225 -9.873 -0.794 72 HA2 GLY 9 HA2 GLY 9 -5.150 -11.953 -0.569 73 HA3 GLY 9 HA1 GLY 9 -6.302 -11.814 -1.892 74 H CYS 10 HN CYS 10 -5.080 -8.854 -0.860 75 HA CYS 10 HA CYS 10 -3.554 -8.562 -3.314 76 HB2 CYS 10 HB2 CYS 10 -5.139 -6.826 -2.733 77 HB3 CYS 10 HB1 CYS 10 -4.395 -6.618 -1.156 78 H GLY 11 HN GLY 11 -1.356 -8.077 -3.392 79 HA2 GLY 11 HA2 GLY 11 0.144 -7.950 -0.891 80 HA3 GLY 11 HA1 GLY 11 0.469 -9.320 -1.942 81 H LYS 12 HN LYS 12 -0.187 -5.935 -2.758 82 HA LYS 12 HA LYS 12 2.008 -5.886 -4.598 83 HB2 LYS 12 HB2 LYS 12 -0.128 -4.642 -4.964 84 HB3 LYS 12 HB1 LYS 12 0.302 -3.581 -3.629 85 HG2 LYS 12 HG2 LYS 12 2.147 -2.687 -4.810 86 HG3 LYS 12 HG1 LYS 12 2.032 -3.925 -6.064 87 HD2 LYS 12 HD2 LYS 12 -0.164 -3.024 -6.722 88 HD3 LYS 12 HD1 LYS 12 -0.003 -1.767 -5.495 89 HE2 LYS 12 HE2 LYS 12 1.959 -0.885 -6.625 90 HE3 LYS 12 HE1 LYS 12 1.878 -2.179 -7.819 91 HZ1 LYS 12 HZ1 LYS 12 -0.238 -0.149 -7.391 92 HZ2 LYS 12 HZ2 LYS 12 -0.208 -1.326 -8.601 93 HZ3 LYS 12 HZ3 LYS 12 0.929 -0.074 -8.608 94 H ARG 13 HN ARG 13 3.957 -4.854 -4.405 95 HA ARG 13 HA ARG 13 4.709 -4.235 -1.632 96 HB2 ARG 13 HB2 ARG 13 6.420 -5.312 -3.873 97 HB3 ARG 13 HB1 ARG 13 6.966 -4.991 -2.232 98 HG2 ARG 13 HG2 ARG 13 5.476 -6.687 -1.367 99 HG3 ARG 13 HG1 ARG 13 4.828 -6.969 -2.982 100 HD2 ARG 13 HD2 ARG 13 7.058 -7.682 -3.731 101 HD3 ARG 13 HD1 ARG 13 7.672 -7.438 -2.095 102 HE ARG 13 HE ARG 13 5.452 -9.305 -2.530 103 HH11 ARG 13 HH11 ARG 13 9.023 -10.344 -1.007 104 HH12 ARG 13 HH12 ARG 13 8.813 -8.763 -1.687 105 HH21 ARG 13 HH21 ARG 13 5.731 -11.380 -1.649 106 HH22 ARG 13 HH22 ARG 13 7.270 -11.838 -0.987 107 H PHE 14 HN PHE 14 6.095 -2.547 -1.196 108 HA PHE 14 HA PHE 14 6.651 -0.638 -3.355 109 HB2 PHE 14 HB2 PHE 14 5.439 0.132 -0.691 110 HB3 PHE 14 HB1 PHE 14 5.795 1.208 -2.040 111 HD1 PHE 14 HD1 PHE 14 3.499 -1.250 -0.684 112 HD2 PHE 14 HD2 PHE 14 4.414 1.187 -4.045 113 HE1 PHE 14 HE1 PHE 14 1.219 -1.586 -1.542 114 HE2 PHE 14 HE2 PHE 14 2.133 0.859 -4.911 115 HZ PHE 14 HZ PHE 14 0.579 -0.621 -3.728 116 H THR 15 HN THR 15 8.068 1.204 -2.363 117 HA THR 15 HA THR 15 9.865 0.068 -0.322 118 HB THR 15 HB THR 15 10.787 1.974 -2.472 119 HG1 THR 15 HG1 THR 15 9.907 -0.031 -3.371 120 HG21 THR 15 HG21 THR 15 12.215 1.669 -0.470 121 HG22 THR 15 HG22 THR 15 12.989 1.079 -1.940 122 HG23 THR 15 HG23 THR 15 12.276 -0.063 -0.801 123 H ARG 16 HN ARG 16 7.601 2.332 -0.903 124 HA ARG 16 HA ARG 16 8.716 4.146 1.111 125 HB2 ARG 16 HB2 ARG 16 7.217 4.886 -1.406 126 HB3 ARG 16 HB1 ARG 16 7.488 6.006 -0.078 127 HG2 ARG 16 HG2 ARG 16 9.712 4.613 -1.532 128 HG3 ARG 16 HG1 ARG 16 9.068 6.182 -2.022 129 HD2 ARG 16 HD2 ARG 16 10.266 5.532 0.673 130 HD3 ARG 16 HD1 ARG 16 11.077 6.406 -0.626 131 HE ARG 16 HE ARG 16 8.620 7.661 0.036 132 HH11 ARG 16 HH11 ARG 16 11.901 7.238 1.187 133 HH12 ARG 16 HH12 ARG 16 11.908 8.721 2.089 134 HH21 ARG 16 HH21 ARG 16 8.639 9.624 1.211 135 HH22 ARG 16 HH22 ARG 16 10.058 10.071 2.109 136 H SER 17 HN SER 17 7.356 4.719 2.712 137 HA SER 17 HA SER 17 5.054 3.142 3.163 138 HB2 SER 17 HB2 SER 17 6.604 4.105 4.922 139 HB3 SER 17 HB1 SER 17 5.834 5.667 4.638 140 HG SER 17 HG SER 17 5.017 3.684 6.203 141 H ASP 18 HN ASP 18 5.576 6.345 1.872 142 HA ASP 18 HA ASP 18 2.892 7.247 2.053 143 HB2 ASP 18 HB2 ASP 18 3.531 8.947 0.397 144 HB3 ASP 18 HB1 ASP 18 4.707 8.831 1.695 145 H GLU 19 HN GLU 19 4.625 5.360 -0.350 146 HA GLU 19 HA GLU 19 2.583 5.364 -2.306 147 HB2 GLU 19 HB2 GLU 19 4.793 3.384 -1.758 148 HB3 GLU 19 HB1 GLU 19 3.727 3.302 -3.147 149 HG2 GLU 19 HG2 GLU 19 4.551 5.485 -3.893 150 HG3 GLU 19 HG1 GLU 19 5.641 5.530 -2.507 151 H LEU 20 HN LEU 20 3.463 3.155 0.305 152 HA LEU 20 HA LEU 20 1.453 1.254 -0.139 153 HB2 LEU 20 HB2 LEU 20 3.324 0.744 1.271 154 HB3 LEU 20 HB1 LEU 20 2.914 2.041 2.376 155 HG LEU 20 HG LEU 20 0.874 0.833 3.035 156 HD11 LEU 20 HD11 LEU 20 1.913 -1.288 1.170 157 HD12 LEU 20 HD12 LEU 20 0.404 -0.386 1.020 158 HD13 LEU 20 HD13 LEU 20 0.624 -1.527 2.346 159 HD21 LEU 20 HD21 LEU 20 2.997 0.523 4.260 160 HD22 LEU 20 HD22 LEU 20 3.339 -0.885 3.255 161 HD23 LEU 20 HD23 LEU 20 1.946 -0.889 4.331 162 H GLN 21 HN GLN 21 1.484 4.163 1.891 163 HA GLN 21 HA GLN 21 -1.057 3.806 3.035 164 HB2 GLN 21 HB2 GLN 21 0.558 6.301 2.516 165 HB3 GLN 21 HB1 GLN 21 -0.968 6.307 3.389 166 HG2 GLN 21 HG2 GLN 21 -0.037 4.845 5.083 167 HG3 GLN 21 HG1 GLN 21 1.481 4.752 4.193 168 HE21 GLN 21 HE21 GLN 21 2.840 6.546 4.149 169 HE22 GLN 21 HE22 GLN 21 2.684 7.842 5.284 170 H ARG 22 HN ARG 22 -0.059 5.698 0.185 171 HA ARG 22 HA ARG 22 -2.600 6.582 -0.563 172 HB2 ARG 22 HB2 ARG 22 -0.537 7.444 -1.589 173 HB3 ARG 22 HB1 ARG 22 -0.267 5.887 -2.364 174 HG2 ARG 22 HG2 ARG 22 -2.373 6.165 -3.603 175 HG3 ARG 22 HG1 ARG 22 -2.571 7.757 -2.870 176 HD2 ARG 22 HD2 ARG 22 -0.463 8.485 -3.901 177 HD3 ARG 22 HD1 ARG 22 -0.282 6.891 -4.639 178 HE ARG 22 HE ARG 22 -2.786 8.043 -5.309 179 HH11 ARG 22 HH11 ARG 22 0.361 8.795 -7.681 180 HH12 ARG 22 HH12 ARG 22 0.616 8.208 -6.070 181 HH21 ARG 22 HH21 ARG 22 -3.144 8.804 -7.416 182 HH22 ARG 22 HH22 ARG 22 -1.790 9.139 -8.449 183 H HIS 23 HN HIS 23 -0.827 3.658 -1.463 184 HA HIS 23 HA HIS 23 -2.698 2.527 -3.174 185 HB2 HIS 23 HB2 HIS 23 -0.527 1.575 -3.095 186 HB3 HIS 23 HB1 HIS 23 -0.623 1.312 -1.358 187 HD1 HIS 23 HD1 HIS 23 -1.460 -0.300 -4.623 188 HD2 HIS 23 HD2 HIS 23 -2.209 -0.864 -0.563 189 HE1 HIS 23 HE1 HIS 23 -2.462 -2.634 -4.382 190 H LYS 24 HN LYS 24 -2.372 2.189 0.351 191 HA LYS 24 HA LYS 24 -4.413 0.346 0.762 192 HB2 LYS 24 HB2 LYS 24 -3.280 2.507 2.515 193 HB3 LYS 24 HB1 LYS 24 -4.582 1.466 3.069 194 HG2 LYS 24 HG2 LYS 24 -1.863 0.543 2.160 195 HG3 LYS 24 HG1 LYS 24 -2.409 0.671 3.830 196 HD2 LYS 24 HD2 LYS 24 -4.229 -0.948 3.286 197 HD3 LYS 24 HD1 LYS 24 -3.500 -1.155 1.694 198 HE2 LYS 24 HE2 LYS 24 -2.787 -2.941 3.153 199 HE3 LYS 24 HE1 LYS 24 -1.415 -1.902 2.772 200 HZ1 LYS 24 HZ1 LYS 24 -1.739 -0.800 4.921 201 HZ2 LYS 24 HZ2 LYS 24 -1.420 -2.447 5.099 202 HZ3 LYS 24 HZ3 LYS 24 -2.996 -1.869 5.284 203 H ARG 25 HN ARG 25 -4.590 3.756 0.110 204 HA ARG 25 HA ARG 25 -7.197 4.195 1.096 205 HB2 ARG 25 HB2 ARG 25 -5.765 5.644 -1.126 206 HB3 ARG 25 HB1 ARG 25 -7.191 6.223 -0.276 207 HG2 ARG 25 HG2 ARG 25 -5.801 6.105 1.836 208 HG3 ARG 25 HG1 ARG 25 -4.410 5.867 0.778 209 HD2 ARG 25 HD2 ARG 25 -6.237 8.257 0.918 210 HD3 ARG 25 HD1 ARG 25 -4.512 8.192 1.268 211 HE ARG 25 HE ARG 25 -5.530 7.695 -1.449 212 HH11 ARG 25 HH11 ARG 25 -2.669 10.359 -0.523 213 HH12 ARG 25 HH12 ARG 25 -3.389 9.409 0.737 214 HH21 ARG 25 HH21 ARG 25 -3.336 10.090 -2.698 215 HH22 ARG 25 HH22 ARG 25 -4.575 8.946 -3.100 216 H THR 26 HN THR 26 -6.135 2.431 -1.621 217 HA THR 26 HA THR 26 -8.548 2.757 -3.145 218 HB THR 26 HB THR 26 -7.770 0.868 -4.496 219 HG1 THR 26 HG1 THR 26 -5.513 0.729 -2.762 220 HG21 THR 26 HG21 THR 26 -6.881 3.103 -4.971 221 HG22 THR 26 HG22 THR 26 -5.698 1.848 -5.337 222 HG23 THR 26 HG23 THR 26 -5.542 2.804 -3.864 223 H HIS 27 HN HIS 27 -7.308 0.468 -0.761 224 HA HIS 27 HA HIS 27 -9.547 -1.308 -0.962 225 HB2 HIS 27 HB2 HIS 27 -7.502 -1.008 1.250 226 HB3 HIS 27 HB1 HIS 27 -8.666 -2.321 1.116 227 HD1 HIS 27 HD1 HIS 27 -8.345 -3.505 -1.562 228 HD2 HIS 27 HD2 HIS 27 -5.109 -1.852 0.480 229 HE1 HIS 27 HE1 HIS 27 -6.244 -4.547 -2.559 230 H THR 28 HN THR 28 -8.538 1.259 1.246 231 HA THR 28 HA THR 28 -11.037 1.096 2.710 232 HB THR 28 HB THR 28 -8.929 3.216 3.078 233 HG1 THR 28 HG1 THR 28 -8.821 0.460 3.686 234 HG21 THR 28 HG21 THR 28 -10.771 1.789 5.009 235 HG22 THR 28 HG22 THR 28 -11.002 3.420 4.381 236 HG23 THR 28 HG23 THR 28 -9.628 3.065 5.426 237 H GLY 29 HN GLY 29 -10.775 1.954 -0.191 238 HA2 GLY 29 HA2 GLY 29 -11.367 4.739 -0.334 239 HA3 GLY 29 HA1 GLY 29 -11.592 3.565 -1.621 240 H GLU 30 HN GLU 30 -13.259 1.898 0.170 241 HA GLU 30 HA GLU 30 -15.778 3.196 -0.372 242 HB2 GLU 30 HB2 GLU 30 -16.766 1.072 0.418 243 HB3 GLU 30 HB1 GLU 30 -15.561 0.819 -0.837 244 HG2 GLU 30 HG2 GLU 30 -13.920 0.208 0.871 245 HG3 GLU 30 HG1 GLU 30 -15.140 0.448 2.120 246 H LYS 31 HN LYS 31 -13.618 3.426 2.080 247 HA LYS 31 HA LYS 31 -15.724 4.104 4.013 248 HB2 LYS 31 HB2 LYS 31 -14.614 1.985 4.662 249 HB3 LYS 31 HB1 LYS 31 -13.069 2.823 4.678 250 HG2 LYS 31 HG2 LYS 31 -13.971 4.326 6.442 251 HG3 LYS 31 HG1 LYS 31 -15.420 3.320 6.487 252 HD2 LYS 31 HD2 LYS 31 -14.084 1.389 7.112 253 HD3 LYS 31 HD1 LYS 31 -12.611 2.355 7.012 254 HE2 LYS 31 HE2 LYS 31 -13.502 3.823 8.792 255 HE3 LYS 31 HE1 LYS 31 -14.906 2.766 8.925 256 HZ1 LYS 31 HZ1 LYS 31 -13.415 0.950 9.522 257 HZ2 LYS 31 HZ2 LYS 31 -13.280 2.236 10.608 258 HZ3 LYS 31 HZ3 LYS 31 -12.086 1.993 9.437 259 HN1 NH2 32 HN1 NH2 32 -15.476 6.225 3.140 260 HN2 NH2 32 HN2 NH2 32 -14.141 7.222 3.606 Start of MODEL 8 1 H1 ARG 1 HT1 ARG 1 13.841 -0.332 5.231 2 H2 ARG 1 HT2 ARG 1 13.660 -0.468 6.909 3 H3 ARG 1 HT3 ARG 1 12.508 0.367 5.998 4 HA ARG 1 HA ARG 1 13.086 -2.517 5.726 5 HB2 ARG 1 HB2 ARG 1 10.944 -2.885 6.863 6 HB3 ARG 1 HB1 ARG 1 12.071 -2.030 7.904 7 HG2 ARG 1 HG2 ARG 1 10.935 0.059 7.478 8 HG3 ARG 1 HG1 ARG 1 9.856 -0.734 6.331 9 HD2 ARG 1 HD2 ARG 1 8.953 -2.121 8.114 10 HD3 ARG 1 HD1 ARG 1 10.066 -1.392 9.268 11 HE ARG 1 HE ARG 1 8.881 0.758 8.751 12 HH11 ARG 1 HH11 ARG 1 7.265 -2.337 8.389 13 HH12 ARG 1 HH12 ARG 1 5.681 -1.673 8.637 14 HH21 ARG 1 HH21 ARG 1 5.416 0.568 9.030 15 HH22 ARG 1 HH22 ARG 1 6.795 1.616 9.075 16 HA PRO 2 HA PRO 2 10.769 -2.034 1.937 17 HB2 PRO 2 HB2 PRO 2 10.045 -4.622 1.562 18 HB3 PRO 2 HB1 PRO 2 11.694 -4.043 1.272 19 HG2 PRO 2 HG2 PRO 2 10.577 -5.480 3.649 20 HG3 PRO 2 HG1 PRO 2 12.116 -5.739 2.804 21 HD2 PRO 2 HD2 PRO 2 11.938 -4.341 5.123 22 HD3 PRO 2 HD1 PRO 2 13.146 -3.974 3.874 23 H PHE 3 HN PHE 3 8.594 -1.908 1.289 24 HA PHE 3 HA PHE 3 6.686 -2.354 3.485 25 HB2 PHE 3 HB2 PHE 3 6.582 -0.362 1.216 26 HB3 PHE 3 HB1 PHE 3 5.337 -0.566 2.443 27 HD1 PHE 3 HD1 PHE 3 8.510 0.899 1.632 28 HD2 PHE 3 HD2 PHE 3 5.862 -0.041 4.821 29 HE1 PHE 3 HE1 PHE 3 9.692 2.502 3.076 30 HE2 PHE 3 HE2 PHE 3 7.037 1.554 6.274 31 HZ PHE 3 HZ PHE 3 8.953 2.801 5.438 32 H NLE 4 HN NLE 4 4.644 -3.209 3.027 33 HA NLE 4 HA NLE 4 4.015 -4.101 0.358 34 HB2 NLE 4 HB1 NLE 4 4.452 -6.120 2.558 35 HB3 NLE 4 HB2 NLE 4 5.552 -5.853 1.217 36 HG2 NLE 4 HG1 NLE 4 3.774 -6.520 -0.347 37 HG3 NLE 4 HG2 NLE 4 2.716 -6.848 1.027 38 HD2 NLE 4 HD1 NLE 4 4.221 -8.572 1.823 39 HD3 NLE 4 HD2 NLE 4 5.373 -8.198 0.531 40 HE1 NLE 4 HE1 NLE 4 3.686 -8.821 -1.134 41 HE2 NLE 4 HE2 NLE 4 2.559 -9.214 0.162 42 HE3 NLE 4 HE3 NLE 4 4.036 -10.157 -0.036 43 H CYS 5 HN CYS 5 1.859 -4.366 0.074 44 HA CYS 5 HA CYS 5 0.113 -3.668 2.251 45 HB2 CYS 5 HB2 CYS 5 -0.463 -2.758 0.128 46 HB3 CYS 5 HB1 CYS 5 -0.388 -4.338 -0.641 47 H THR 6 HN THR 6 -1.257 -4.966 3.349 48 HA THR 6 HA THR 6 -1.100 -7.847 2.777 49 HB THR 6 HB THR 6 -1.172 -8.202 5.268 50 HG1 THR 6 HG1 THR 6 -1.877 -5.962 5.682 51 HG21 THR 6 HG21 THR 6 0.923 -8.425 4.036 52 HG22 THR 6 HG22 THR 6 1.212 -7.720 5.625 53 HG23 THR 6 HG23 THR 6 1.213 -6.694 4.190 54 H TRP 7 HN TRP 7 -3.137 -5.649 2.275 55 HA TRP 7 HA TRP 7 -5.341 -6.238 4.018 56 HB2 TRP 7 HB2 TRP 7 -4.969 -4.025 2.858 57 HB3 TRP 7 HB1 TRP 7 -5.417 -4.815 1.350 58 HD1 TRP 7 HD1 TRP 7 -6.894 -3.301 4.473 59 HE1 TRP 7 HE1 TRP 7 -9.458 -3.289 4.302 60 HE3 TRP 7 HE3 TRP 7 -7.443 -6.222 0.312 61 HZ2 TRP 7 HZ2 TRP 7 -11.451 -4.380 2.633 62 HZ3 TRP 7 HZ3 TRP 7 -9.718 -6.691 -0.498 63 HH2 TRP 7 HH2 TRP 7 -11.673 -5.790 0.634 64 HA DPR 8 HA DPR 8 -8.034 -8.810 1.464 65 HB2 DPR 8 HB2 DPR 8 -9.081 -10.142 3.001 66 HB3 DPR 8 HB1 DPR 8 -7.565 -10.602 3.786 67 HG2 DPR 8 HG2 DPR 8 -9.168 -8.090 4.087 68 HG3 DPR 8 HG1 DPR 8 -8.397 -9.082 5.341 69 HD2 DPR 8 HD2 DPR 8 -7.279 -6.803 4.428 70 HD3 DPR 8 HD1 DPR 8 -6.301 -8.198 4.929 71 H GLY 9 HN GLY 9 -7.132 -9.807 -0.225 72 HA2 GLY 9 HA2 GLY 9 -4.954 -11.739 0.289 73 HA3 GLY 9 HA1 GLY 9 -6.120 -11.893 -1.021 74 H CYS 10 HN CYS 10 -5.201 -8.723 -0.450 75 HA CYS 10 HA CYS 10 -3.903 -8.512 -2.995 76 HB2 CYS 10 HB2 CYS 10 -5.423 -6.784 -2.182 77 HB3 CYS 10 HB1 CYS 10 -4.401 -6.511 -0.780 78 H GLY 11 HN GLY 11 -1.725 -8.085 -3.395 79 HA2 GLY 11 HA2 GLY 11 0.110 -8.014 -1.126 80 HA3 GLY 11 HA1 GLY 11 0.217 -9.402 -2.195 81 H LYS 12 HN LYS 12 0.185 -5.857 -2.306 82 HA LYS 12 HA LYS 12 2.141 -5.992 -4.490 83 HB2 LYS 12 HB2 LYS 12 0.021 -4.782 -4.970 84 HB3 LYS 12 HB1 LYS 12 0.386 -3.670 -3.659 85 HG2 LYS 12 HG2 LYS 12 2.278 -2.805 -4.812 86 HG3 LYS 12 HG1 LYS 12 2.174 -4.061 -6.046 87 HD2 LYS 12 HD2 LYS 12 0.046 -1.981 -5.543 88 HD3 LYS 12 HD1 LYS 12 1.296 -1.847 -6.779 89 HE2 LYS 12 HE2 LYS 12 -0.787 -4.023 -6.598 90 HE3 LYS 12 HE1 LYS 12 -0.818 -2.657 -7.710 91 HZ1 LYS 12 HZ1 LYS 12 0.010 -4.673 -8.764 92 HZ2 LYS 12 HZ2 LYS 12 1.274 -4.763 -7.646 93 HZ3 LYS 12 HZ3 LYS 12 1.199 -3.472 -8.733 94 H ARG 13 HN ARG 13 4.119 -5.042 -4.255 95 HA ARG 13 HA ARG 13 4.780 -4.215 -1.520 96 HB2 ARG 13 HB2 ARG 13 6.512 -5.341 -3.716 97 HB3 ARG 13 HB1 ARG 13 7.136 -4.752 -2.182 98 HG2 ARG 13 HG2 ARG 13 5.823 -6.423 -0.995 99 HG3 ARG 13 HG1 ARG 13 5.180 -7.008 -2.530 100 HD2 ARG 13 HD2 ARG 13 6.994 -8.432 -1.763 101 HD3 ARG 13 HD1 ARG 13 7.445 -7.599 -3.248 102 HE ARG 13 HE ARG 13 8.603 -5.977 -1.640 103 HH11 ARG 13 HH11 ARG 13 9.709 -9.525 -0.118 104 HH12 ARG 13 HH12 ARG 13 8.271 -9.417 -1.080 105 HH21 ARG 13 HH21 ARG 13 10.506 -6.118 -0.390 106 HH22 ARG 13 HH22 ARG 13 10.988 -7.646 0.274 107 H PHE 14 HN PHE 14 6.106 -2.456 -1.105 108 HA PHE 14 HA PHE 14 6.571 -0.562 -3.294 109 HB2 PHE 14 HB2 PHE 14 5.264 0.171 -0.665 110 HB3 PHE 14 HB1 PHE 14 5.636 1.271 -1.990 111 HD1 PHE 14 HD1 PHE 14 3.376 -1.282 -0.751 112 HD2 PHE 14 HD2 PHE 14 4.338 1.229 -4.046 113 HE1 PHE 14 HE1 PHE 14 1.144 -1.685 -1.707 114 HE2 PHE 14 HE2 PHE 14 2.108 0.834 -5.009 115 HZ PHE 14 HZ PHE 14 0.558 -0.717 -3.902 116 H THR 15 HN THR 15 8.045 1.198 -2.633 117 HA THR 15 HA THR 15 9.936 0.275 -0.573 118 HB THR 15 HB THR 15 11.555 1.830 -1.789 119 HG1 THR 15 HG1 THR 15 10.063 1.531 -4.113 120 HG21 THR 15 HG21 THR 15 12.029 0.173 -3.556 121 HG22 THR 15 HG22 THR 15 10.465 -0.581 -3.249 122 HG23 THR 15 HG23 THR 15 11.708 -0.589 -2.000 123 H ARG 16 HN ARG 16 7.460 2.299 -0.858 124 HA ARG 16 HA ARG 16 8.614 4.211 1.047 125 HB2 ARG 16 HB2 ARG 16 6.720 4.923 -1.201 126 HB3 ARG 16 HB1 ARG 16 7.311 6.030 0.025 127 HG2 ARG 16 HG2 ARG 16 9.575 5.777 -0.840 128 HG3 ARG 16 HG1 ARG 16 8.981 4.654 -2.067 129 HD2 ARG 16 HD2 ARG 16 7.509 6.436 -2.928 130 HD3 ARG 16 HD1 ARG 16 8.193 7.547 -1.748 131 HE ARG 16 HE ARG 16 10.290 6.474 -3.245 132 HH11 ARG 16 HH11 ARG 16 7.520 8.561 -3.660 133 HH12 ARG 16 HH12 ARG 16 8.212 9.440 -4.984 134 HH21 ARG 16 HH21 ARG 16 11.220 7.642 -4.997 135 HH22 ARG 16 HH22 ARG 16 10.314 8.917 -5.745 136 H SER 17 HN SER 17 7.345 4.623 2.770 137 HA SER 17 HA SER 17 5.089 3.026 3.329 138 HB2 SER 17 HB2 SER 17 6.627 4.023 5.041 139 HB3 SER 17 HB1 SER 17 5.934 5.606 4.684 140 HG SER 17 HG SER 17 4.045 3.697 5.229 141 H ASP 18 HN ASP 18 5.501 6.329 2.186 142 HA ASP 18 HA ASP 18 2.798 7.115 2.253 143 HB2 ASP 18 HB2 ASP 18 4.465 8.802 1.985 144 HB3 ASP 18 HB1 ASP 18 5.120 8.023 0.550 145 H GLU 19 HN GLU 19 4.685 5.419 -0.192 146 HA GLU 19 HA GLU 19 2.712 5.395 -2.197 147 HB2 GLU 19 HB2 GLU 19 5.055 3.597 -1.633 148 HB3 GLU 19 HB1 GLU 19 3.972 3.318 -2.984 149 HG2 GLU 19 HG2 GLU 19 5.566 5.823 -2.517 150 HG3 GLU 19 HG1 GLU 19 5.983 4.533 -3.646 151 H LEU 20 HN LEU 20 3.515 3.126 0.387 152 HA LEU 20 HA LEU 20 1.555 1.207 -0.204 153 HB2 LEU 20 HB2 LEU 20 3.329 0.653 1.291 154 HB3 LEU 20 HB1 LEU 20 2.908 1.962 2.378 155 HG LEU 20 HG LEU 20 0.850 0.803 3.010 156 HD11 LEU 20 HD11 LEU 20 1.802 -1.356 1.138 157 HD12 LEU 20 HD12 LEU 20 0.377 -0.338 0.926 158 HD13 LEU 20 HD13 LEU 20 0.445 -1.492 2.256 159 HD21 LEU 20 HD21 LEU 20 3.252 -1.009 3.188 160 HD22 LEU 20 HD22 LEU 20 1.849 -1.012 4.255 161 HD23 LEU 20 HD23 LEU 20 2.942 0.370 4.239 162 H GLN 21 HN GLN 21 1.457 4.052 1.924 163 HA GLN 21 HA GLN 21 -1.142 3.645 2.910 164 HB2 GLN 21 HB2 GLN 21 0.408 6.210 2.519 165 HB3 GLN 21 HB1 GLN 21 -1.098 6.091 3.419 166 HG2 GLN 21 HG2 GLN 21 -0.058 4.627 5.035 167 HG3 GLN 21 HG1 GLN 21 1.438 4.621 4.105 168 HE21 GLN 21 HE21 GLN 21 -0.602 6.421 6.240 169 HE22 GLN 21 HE22 GLN 21 0.525 7.690 6.578 170 H ARG 22 HN ARG 22 0.029 5.557 0.169 171 HA ARG 22 HA ARG 22 -2.405 6.570 -0.729 172 HB2 ARG 22 HB2 ARG 22 -0.182 7.260 -1.578 173 HB3 ARG 22 HB1 ARG 22 -0.039 5.719 -2.411 174 HG2 ARG 22 HG2 ARG 22 -1.965 6.268 -3.789 175 HG3 ARG 22 HG1 ARG 22 -2.144 7.804 -2.938 176 HD2 ARG 22 HD2 ARG 22 0.191 8.374 -3.671 177 HD3 ARG 22 HD1 ARG 22 0.161 6.929 -4.678 178 HE ARG 22 HE ARG 22 -2.020 8.168 -5.535 179 HH11 ARG 22 HH11 ARG 22 1.070 10.681 -6.085 180 HH12 ARG 22 HH12 ARG 22 1.200 9.403 -4.918 181 HH21 ARG 22 HH21 ARG 22 -2.186 9.862 -7.076 182 HH22 ARG 22 HH22 ARG 22 -0.846 10.938 -7.306 183 H HIS 23 HN HIS 23 -0.717 3.599 -1.712 184 HA HIS 23 HA HIS 23 -2.627 2.578 -3.444 185 HB2 HIS 23 HB2 HIS 23 -0.558 1.466 -3.417 186 HB3 HIS 23 HB1 HIS 23 -0.568 1.293 -1.667 187 HD1 HIS 23 HD1 HIS 23 -1.570 -0.476 -4.788 188 HD2 HIS 23 HD2 HIS 23 -2.267 -0.757 -0.684 189 HE1 HIS 23 HE1 HIS 23 -2.650 -2.754 -4.381 190 H LYS 24 HN LYS 24 -2.301 2.117 0.056 191 HA LYS 24 HA LYS 24 -4.414 0.289 0.305 192 HB2 LYS 24 HB2 LYS 24 -2.580 0.604 1.956 193 HB3 LYS 24 HB1 LYS 24 -3.319 2.126 2.434 194 HG2 LYS 24 HG2 LYS 24 -5.216 1.039 3.320 195 HG3 LYS 24 HG1 LYS 24 -4.774 -0.495 2.566 196 HD2 LYS 24 HD2 LYS 24 -2.851 -0.699 4.011 197 HD3 LYS 24 HD1 LYS 24 -3.160 0.895 4.699 198 HE2 LYS 24 HE2 LYS 24 -5.064 -1.438 4.886 199 HE3 LYS 24 HE1 LYS 24 -3.906 -0.999 6.141 200 HZ1 LYS 24 HZ1 LYS 24 -4.993 1.170 6.303 201 HZ2 LYS 24 HZ2 LYS 24 -6.069 -0.091 6.634 202 HZ3 LYS 24 HZ3 LYS 24 -6.133 0.700 5.141 203 H ARG 25 HN ARG 25 -4.437 3.707 -0.095 204 HA ARG 25 HA ARG 25 -6.889 4.315 1.131 205 HB2 ARG 25 HB2 ARG 25 -5.559 5.522 -1.289 206 HB3 ARG 25 HB1 ARG 25 -7.030 6.171 -0.576 207 HG2 ARG 25 HG2 ARG 25 -5.775 6.419 1.567 208 HG3 ARG 25 HG1 ARG 25 -4.317 5.960 0.688 209 HD2 ARG 25 HD2 ARG 25 -4.623 7.866 -0.821 210 HD3 ARG 25 HD1 ARG 25 -6.081 8.329 0.057 211 HE ARG 25 HE ARG 25 -3.661 8.142 1.641 212 HH11 ARG 25 HH11 ARG 25 -5.253 11.671 0.568 213 HH12 ARG 25 HH12 ARG 25 -5.800 10.217 -0.198 214 HH21 ARG 25 HH21 ARG 25 -3.625 11.581 2.189 215 HH22 ARG 25 HH22 ARG 25 -2.930 10.058 2.641 216 H THR 26 HN THR 26 -6.224 2.450 -1.696 217 HA THR 26 HA THR 26 -8.804 2.726 -2.890 218 HB THR 26 HB THR 26 -8.225 0.696 -4.176 219 HG1 THR 26 HG1 THR 26 -5.716 0.735 -2.828 220 HG21 THR 26 HG21 THR 26 -7.477 2.887 -4.962 221 HG22 THR 26 HG22 THR 26 -6.309 1.632 -5.371 222 HG23 THR 26 HG23 THR 26 -5.994 2.723 -4.022 223 H HIS 27 HN HIS 27 -7.407 0.677 -0.432 224 HA HIS 27 HA HIS 27 -9.732 -1.043 -0.276 225 HB2 HIS 27 HB2 HIS 27 -7.392 -0.808 1.626 226 HB3 HIS 27 HB1 HIS 27 -8.571 -2.109 1.588 227 HD1 HIS 27 HD1 HIS 27 -8.526 -3.187 -1.190 228 HD2 HIS 27 HD2 HIS 27 -5.106 -1.715 0.686 229 HE1 HIS 27 HE1 HIS 27 -6.529 -4.287 -2.336 230 H THR 28 HN THR 28 -8.068 1.213 1.882 231 HA THR 28 HA THR 28 -10.642 1.815 3.169 232 HB THR 28 HB THR 28 -9.233 2.345 5.219 233 HG1 THR 28 HG1 THR 28 -7.198 2.349 4.095 234 HG21 THR 28 HG21 THR 28 -9.115 0.012 5.944 235 HG22 THR 28 HG22 THR 28 -9.277 -0.524 4.272 236 HG23 THR 28 HG23 THR 28 -10.610 0.320 5.061 237 H GLY 29 HN GLY 29 -10.976 3.615 1.799 238 HA2 GLY 29 HA2 GLY 29 -8.963 5.699 1.679 239 HA3 GLY 29 HA1 GLY 29 -10.546 5.730 0.914 240 H GLU 30 HN GLU 30 -11.764 4.921 3.503 241 HA GLU 30 HA GLU 30 -12.164 7.580 4.533 242 HB2 GLU 30 HB2 GLU 30 -13.289 4.968 5.545 243 HB3 GLU 30 HB1 GLU 30 -13.891 6.579 5.897 244 HG2 GLU 30 HG2 GLU 30 -14.484 6.871 3.545 245 HG3 GLU 30 HG1 GLU 30 -13.892 5.247 3.201 246 H LYS 31 HN LYS 31 -11.118 4.473 5.922 247 HA LYS 31 HA LYS 31 -9.456 5.981 7.813 248 HB2 LYS 31 HB2 LYS 31 -10.002 4.226 9.541 249 HB3 LYS 31 HB1 LYS 31 -11.323 5.310 9.133 250 HG2 LYS 31 HG2 LYS 31 -12.316 3.605 7.722 251 HG3 LYS 31 HG1 LYS 31 -10.969 2.518 8.061 252 HD2 LYS 31 HD2 LYS 31 -12.887 1.935 9.431 253 HD3 LYS 31 HD1 LYS 31 -11.578 2.541 10.446 254 HE2 LYS 31 HE2 LYS 31 -12.655 4.681 10.646 255 HE3 LYS 31 HE1 LYS 31 -13.894 4.215 9.485 256 HZ1 LYS 31 HZ1 LYS 31 -14.729 4.045 11.723 257 HZ2 LYS 31 HZ2 LYS 31 -13.470 3.011 12.164 258 HZ3 LYS 31 HZ3 LYS 31 -14.627 2.503 11.040 259 HN1 NH2 32 HN1 NH2 32 -7.791 5.537 6.304 260 HN2 NH2 32 HN2 NH2 32 -7.030 3.983 6.256 Start of MODEL 9 1 H1 ARG 1 HT1 ARG 1 13.803 -0.851 5.222 2 H2 ARG 1 HT2 ARG 1 14.300 -2.322 4.555 3 H3 ARG 1 HT3 ARG 1 14.435 -2.065 6.221 4 HA ARG 1 HA ARG 1 12.573 -3.482 5.789 5 HB2 ARG 1 HB2 ARG 1 11.816 -0.665 6.571 6 HB3 ARG 1 HB1 ARG 1 10.748 -2.046 6.748 7 HG2 ARG 1 HG2 ARG 1 12.335 -3.082 8.284 8 HG3 ARG 1 HG1 ARG 1 13.411 -1.695 8.102 9 HD2 ARG 1 HD2 ARG 1 11.745 -0.223 9.039 10 HD3 ARG 1 HD1 ARG 1 10.571 -1.533 9.100 11 HE ARG 1 HE ARG 1 12.830 -2.271 10.590 12 HH11 ARG 1 HH11 ARG 1 10.210 0.047 10.674 13 HH12 ARG 1 HH12 ARG 1 10.143 0.104 12.405 14 HH21 ARG 1 HH21 ARG 1 11.577 -1.180 13.659 15 HH22 ARG 1 HH22 ARG 1 12.738 -2.203 12.878 16 HA PRO 2 HA PRO 2 10.622 -2.510 1.845 17 HB2 PRO 2 HB2 PRO 2 9.623 -4.960 1.375 18 HB3 PRO 2 HB1 PRO 2 11.348 -4.607 1.162 19 HG2 PRO 2 HG2 PRO 2 9.955 -5.977 3.429 20 HG3 PRO 2 HG1 PRO 2 11.501 -6.375 2.660 21 HD2 PRO 2 HD2 PRO 2 11.249 -4.983 5.031 22 HD3 PRO 2 HD1 PRO 2 12.660 -4.886 3.956 23 H PHE 3 HN PHE 3 8.454 -2.205 1.230 24 HA PHE 3 HA PHE 3 6.508 -2.493 3.413 25 HB2 PHE 3 HB2 PHE 3 6.574 -0.606 1.054 26 HB3 PHE 3 HB1 PHE 3 5.211 -0.749 2.158 27 HD1 PHE 3 HD1 PHE 3 8.584 0.530 1.693 28 HD2 PHE 3 HD2 PHE 3 5.405 -0.015 4.466 29 HE1 PHE 3 HE1 PHE 3 9.633 2.159 3.207 30 HE2 PHE 3 HE2 PHE 3 6.446 1.613 5.986 31 HZ PHE 3 HZ PHE 3 8.565 2.702 5.360 32 H NLE 4 HN NLE 4 4.454 -3.362 2.973 33 HA NLE 4 HA NLE 4 3.951 -4.433 0.323 34 HB2 NLE 4 HB1 NLE 4 4.194 -6.197 2.759 35 HB3 NLE 4 HB2 NLE 4 5.300 -6.173 1.397 36 HG2 NLE 4 HG1 NLE 4 3.531 -6.982 -0.072 37 HG3 NLE 4 HG2 NLE 4 2.401 -6.983 1.284 38 HD2 NLE 4 HD1 NLE 4 3.823 -8.624 2.446 39 HD3 NLE 4 HD2 NLE 4 4.907 -8.652 1.046 40 HE1 NLE 4 HE1 NLE 4 3.345 -10.524 0.978 41 HE2 NLE 4 HE2 NLE 4 3.053 -9.413 -0.360 42 HE3 NLE 4 HE3 NLE 4 1.987 -9.401 1.045 43 H CYS 5 HN CYS 5 1.828 -4.540 -0.139 44 HA CYS 5 HA CYS 5 -0.094 -3.701 1.817 45 HB2 CYS 5 HB2 CYS 5 -0.507 -2.980 -0.409 46 HB3 CYS 5 HB1 CYS 5 -0.341 -4.614 -1.046 47 H THR 6 HN THR 6 -1.133 -4.960 3.197 48 HA THR 6 HA THR 6 -0.887 -7.857 2.844 49 HB THR 6 HB THR 6 -1.424 -7.940 5.304 50 HG1 THR 6 HG1 THR 6 -2.347 -5.715 5.262 51 HG21 THR 6 HG21 THR 6 0.874 -8.094 4.487 52 HG22 THR 6 HG22 THR 6 0.811 -7.195 6.002 53 HG23 THR 6 HG23 THR 6 0.998 -6.335 4.474 54 H TRP 7 HN TRP 7 -2.992 -5.982 1.695 55 HA TRP 7 HA TRP 7 -5.414 -6.939 2.980 56 HB2 TRP 7 HB2 TRP 7 -5.218 -4.595 2.108 57 HB3 TRP 7 HB1 TRP 7 -5.122 -5.257 0.480 58 HD1 TRP 7 HD1 TRP 7 -7.592 -4.371 3.192 59 HE1 TRP 7 HE1 TRP 7 -9.989 -4.753 2.337 60 HE3 TRP 7 HE3 TRP 7 -6.520 -6.863 -1.141 61 HZ2 TRP 7 HZ2 TRP 7 -11.252 -5.958 0.124 62 HZ3 TRP 7 HZ3 TRP 7 -8.384 -7.597 -2.567 63 HH2 TRP 7 HH2 TRP 7 -10.694 -7.153 -1.946 64 HA DPR 8 HA DPR 8 -7.186 -9.647 -0.126 65 HB2 DPR 8 HB2 DPR 8 -7.922 -11.453 1.088 66 HB3 DPR 8 HB1 DPR 8 -6.400 -11.607 1.978 67 HG2 DPR 8 HG2 DPR 8 -8.642 -9.663 2.380 68 HG3 DPR 8 HG1 DPR 8 -7.726 -10.578 3.594 69 HD2 DPR 8 HD2 DPR 8 -7.221 -7.967 3.004 70 HD3 DPR 8 HD1 DPR 8 -5.967 -9.095 3.561 71 H GLY 9 HN GLY 9 -6.304 -10.696 -1.802 72 HA2 GLY 9 HA2 GLY 9 -3.670 -11.953 -1.509 73 HA3 GLY 9 HA1 GLY 9 -4.765 -12.156 -2.874 74 H CYS 10 HN CYS 10 -4.398 -8.989 -1.705 75 HA CYS 10 HA CYS 10 -3.071 -8.161 -4.143 76 HB2 CYS 10 HB2 CYS 10 -5.032 -6.936 -3.301 77 HB3 CYS 10 HB1 CYS 10 -4.173 -6.579 -1.808 78 H GLY 11 HN GLY 11 -1.017 -9.219 -3.606 79 HA2 GLY 11 HA2 GLY 11 0.381 -8.213 -1.247 80 HA3 GLY 11 HA1 GLY 11 0.864 -9.580 -2.236 81 H LYS 12 HN LYS 12 0.154 -6.195 -3.082 82 HA LYS 12 HA LYS 12 2.520 -6.044 -4.701 83 HB2 LYS 12 HB2 LYS 12 0.512 -4.793 -5.344 84 HB3 LYS 12 HB1 LYS 12 0.589 -3.871 -3.848 85 HG2 LYS 12 HG2 LYS 12 2.664 -2.852 -4.527 86 HG3 LYS 12 HG1 LYS 12 2.716 -3.850 -5.980 87 HD2 LYS 12 HD2 LYS 12 0.494 -1.910 -5.377 88 HD3 LYS 12 HD1 LYS 12 1.928 -1.479 -6.306 89 HE2 LYS 12 HE2 LYS 12 1.364 -3.356 -7.868 90 HE3 LYS 12 HE1 LYS 12 -0.158 -3.537 -6.995 91 HZ1 LYS 12 HZ1 LYS 12 -0.452 -2.166 -8.944 92 HZ2 LYS 12 HZ2 LYS 12 0.752 -1.102 -8.427 93 HZ3 LYS 12 HZ3 LYS 12 -0.690 -1.232 -7.554 94 H ARG 13 HN ARG 13 4.452 -5.148 -4.222 95 HA ARG 13 HA ARG 13 4.845 -4.306 -1.438 96 HB2 ARG 13 HB2 ARG 13 6.729 -5.553 -3.431 97 HB3 ARG 13 HB1 ARG 13 7.271 -4.855 -1.911 98 HG2 ARG 13 HG2 ARG 13 6.162 -6.466 -0.638 99 HG3 ARG 13 HG1 ARG 13 5.149 -6.963 -1.996 100 HD2 ARG 13 HD2 ARG 13 8.139 -7.324 -1.893 101 HD3 ARG 13 HD1 ARG 13 6.976 -8.569 -1.434 102 HE ARG 13 HE ARG 13 6.379 -7.614 -4.018 103 HH11 ARG 13 HH11 ARG 13 9.117 -10.534 -3.708 104 HH12 ARG 13 HH12 ARG 13 8.771 -9.530 -2.338 105 HH21 ARG 13 HH21 ARG 13 6.819 -8.934 -5.828 106 HH22 ARG 13 HH22 ARG 13 7.996 -10.201 -5.697 107 H PHE 14 HN PHE 14 6.208 -2.561 -0.968 108 HA PHE 14 HA PHE 14 6.572 -0.635 -3.160 109 HB2 PHE 14 HB2 PHE 14 5.368 -0.032 -0.455 110 HB3 PHE 14 HB1 PHE 14 5.668 1.135 -1.738 111 HD1 PHE 14 HD1 PHE 14 3.494 -1.481 -0.511 112 HD2 PHE 14 HD2 PHE 14 4.317 1.113 -3.774 113 HE1 PHE 14 HE1 PHE 14 1.254 -1.927 -1.423 114 HE2 PHE 14 HE2 PHE 14 2.075 0.678 -4.690 115 HZ PHE 14 HZ PHE 14 0.551 -0.856 -3.525 116 H THR 15 HN THR 15 7.934 1.241 -2.444 117 HA THR 15 HA THR 15 10.133 0.236 -0.767 118 HB THR 15 HB THR 15 10.225 2.480 -2.797 119 HG1 THR 15 HG1 THR 15 10.114 -0.201 -3.169 120 HG21 THR 15 HG21 THR 15 12.646 2.139 -2.697 121 HG22 THR 15 HG22 THR 15 12.427 0.858 -1.506 122 HG23 THR 15 HG23 THR 15 12.008 2.521 -1.097 123 H ARG 16 HN ARG 16 7.797 2.779 -1.173 124 HA ARG 16 HA ARG 16 8.846 4.080 1.258 125 HB2 ARG 16 HB2 ARG 16 7.281 5.365 -0.991 126 HB3 ARG 16 HB1 ARG 16 7.919 6.188 0.423 127 HG2 ARG 16 HG2 ARG 16 10.179 5.766 -0.310 128 HG3 ARG 16 HG1 ARG 16 9.584 4.825 -1.679 129 HD2 ARG 16 HD2 ARG 16 10.188 7.046 -2.419 130 HD3 ARG 16 HD1 ARG 16 8.442 6.838 -2.525 131 HE ARG 16 HE ARG 16 9.371 8.054 -0.079 132 HH11 ARG 16 HH11 ARG 16 8.254 8.615 -3.352 133 HH12 ARG 16 HH12 ARG 16 7.790 10.257 -3.046 134 HH21 ARG 16 HH21 ARG 16 8.764 10.228 0.317 135 HH22 ARG 16 HH22 ARG 16 8.082 11.171 -0.968 136 H SER 17 HN SER 17 7.351 4.707 2.823 137 HA SER 17 HA SER 17 5.057 3.084 3.087 138 HB2 SER 17 HB2 SER 17 4.601 4.515 5.094 139 HB3 SER 17 HB1 SER 17 6.238 3.859 5.051 140 HG SER 17 HG SER 17 5.654 6.325 5.387 141 H ASP 18 HN ASP 18 5.570 6.378 1.993 142 HA ASP 18 HA ASP 18 2.926 7.272 1.919 143 HB2 ASP 18 HB2 ASP 18 5.262 7.946 0.125 144 HB3 ASP 18 HB1 ASP 18 3.704 8.757 0.023 145 H GLU 19 HN GLU 19 4.712 5.301 -0.388 146 HA GLU 19 HA GLU 19 2.802 5.228 -2.440 147 HB2 GLU 19 HB2 GLU 19 4.782 3.123 -1.569 148 HB3 GLU 19 HB1 GLU 19 3.849 3.050 -3.046 149 HG2 GLU 19 HG2 GLU 19 4.978 5.024 -3.885 150 HG3 GLU 19 HG1 GLU 19 5.878 5.165 -2.373 151 H LEU 20 HN LEU 20 3.393 3.063 0.287 152 HA LEU 20 HA LEU 20 1.247 1.316 -0.238 153 HB2 LEU 20 HB2 LEU 20 3.103 0.603 1.103 154 HB3 LEU 20 HB1 LEU 20 2.806 1.870 2.278 155 HG LEU 20 HG LEU 20 0.701 0.779 2.927 156 HD11 LEU 20 HD11 LEU 20 0.196 -1.475 2.121 157 HD12 LEU 20 HD12 LEU 20 1.536 -1.365 0.979 158 HD13 LEU 20 HD13 LEU 20 0.145 -0.292 0.815 159 HD21 LEU 20 HD21 LEU 20 2.800 0.255 4.091 160 HD22 LEU 20 HD22 LEU 20 3.063 -1.089 2.981 161 HD23 LEU 20 HD23 LEU 20 1.685 -1.110 4.080 162 H GLN 21 HN GLN 21 1.500 4.225 1.751 163 HA GLN 21 HA GLN 21 -0.985 4.007 3.046 164 HB2 GLN 21 HB2 GLN 21 0.676 6.417 2.310 165 HB3 GLN 21 HB1 GLN 21 -0.814 6.534 3.234 166 HG2 GLN 21 HG2 GLN 21 0.154 5.109 4.969 167 HG3 GLN 21 HG1 GLN 21 1.650 5.004 4.041 168 HE21 GLN 21 HE21 GLN 21 1.169 6.054 6.714 169 HE22 GLN 21 HE22 GLN 21 1.716 7.692 6.695 170 H ARG 22 HN ARG 22 -0.094 5.801 0.106 171 HA ARG 22 HA ARG 22 -2.679 6.681 -0.529 172 HB2 ARG 22 HB2 ARG 22 -0.621 7.569 -1.583 173 HB3 ARG 22 HB1 ARG 22 -0.414 6.043 -2.431 174 HG2 ARG 22 HG2 ARG 22 -2.587 6.424 -3.555 175 HG3 ARG 22 HG1 ARG 22 -2.670 8.006 -2.779 176 HD2 ARG 22 HD2 ARG 22 -0.544 8.621 -3.874 177 HD3 ARG 22 HD1 ARG 22 -0.534 7.056 -4.681 178 HE ARG 22 HE ARG 22 -2.811 8.854 -5.096 179 HH11 ARG 22 HH11 ARG 22 -0.367 7.563 -8.014 180 HH12 ARG 22 HH12 ARG 22 -0.000 7.191 -6.362 181 HH21 ARG 22 HH21 ARG 22 -3.295 9.349 -7.270 182 HH22 ARG 22 HH22 ARG 22 -2.239 8.792 -8.531 183 H HIS 23 HN HIS 23 -0.872 3.816 -1.570 184 HA HIS 23 HA HIS 23 -2.775 2.695 -3.250 185 HB2 HIS 23 HB2 HIS 23 -0.570 1.777 -3.231 186 HB3 HIS 23 HB1 HIS 23 -0.665 1.417 -1.511 187 HD1 HIS 23 HD1 HIS 23 -1.391 -0.052 -4.845 188 HD2 HIS 23 HD2 HIS 23 -2.369 -0.771 -0.852 189 HE1 HIS 23 HE1 HIS 23 -2.438 -2.373 -4.757 190 H LYS 24 HN LYS 24 -2.325 2.231 0.244 191 HA LYS 24 HA LYS 24 -4.244 0.240 0.605 192 HB2 LYS 24 HB2 LYS 24 -2.486 0.952 2.245 193 HB3 LYS 24 HB1 LYS 24 -3.473 2.356 2.616 194 HG2 LYS 24 HG2 LYS 24 -3.844 0.714 4.301 195 HG3 LYS 24 HG1 LYS 24 -5.300 0.816 3.309 196 HD2 LYS 24 HD2 LYS 24 -4.834 -1.502 3.727 197 HD3 LYS 24 HD1 LYS 24 -4.483 -1.168 2.031 198 HE2 LYS 24 HE2 LYS 24 -2.743 -2.562 2.998 199 HE3 LYS 24 HE1 LYS 24 -2.096 -0.981 2.569 200 HZ1 LYS 24 HZ1 LYS 24 -2.244 -0.319 4.879 201 HZ2 LYS 24 HZ2 LYS 24 -1.320 -1.724 4.737 202 HZ3 LYS 24 HZ3 LYS 24 -2.910 -1.816 5.301 203 H ARG 25 HN ARG 25 -4.601 3.663 0.223 204 HA ARG 25 HA ARG 25 -7.161 3.949 1.368 205 HB2 ARG 25 HB2 ARG 25 -5.761 5.550 -0.760 206 HB3 ARG 25 HB1 ARG 25 -7.293 6.017 -0.035 207 HG2 ARG 25 HG2 ARG 25 -6.121 5.959 2.188 208 HG3 ARG 25 HG1 ARG 25 -4.613 5.790 1.284 209 HD2 ARG 25 HD2 ARG 25 -5.025 8.134 1.852 210 HD3 ARG 25 HD1 ARG 25 -5.080 7.885 0.106 211 HE ARG 25 HE ARG 25 -7.613 7.820 1.551 212 HH11 ARG 25 HH11 ARG 25 -6.634 10.726 -1.043 213 HH12 ARG 25 HH12 ARG 25 -5.413 9.619 -0.500 214 HH21 ARG 25 HH21 ARG 25 -8.786 10.538 -0.279 215 HH22 ARG 25 HH22 ARG 25 -9.211 9.278 0.839 216 H THR 26 HN THR 26 -6.168 2.491 -1.581 217 HA THR 26 HA THR 26 -8.634 2.869 -2.975 218 HB THR 26 HB THR 26 -7.870 1.106 -4.499 219 HG1 THR 26 HG1 THR 26 -5.531 0.866 -2.892 220 HG21 THR 26 HG21 THR 26 -5.836 2.192 -5.310 221 HG22 THR 26 HG22 THR 26 -5.666 3.035 -3.771 222 HG23 THR 26 HG23 THR 26 -7.039 3.384 -4.820 223 H HIS 27 HN HIS 27 -7.438 0.645 -0.601 224 HA HIS 27 HA HIS 27 -9.710 -1.146 -0.894 225 HB2 HIS 27 HB2 HIS 27 -7.507 -1.149 1.178 226 HB3 HIS 27 HB1 HIS 27 -8.692 -2.423 0.927 227 HD1 HIS 27 HD1 HIS 27 -8.501 -3.286 -1.870 228 HD2 HIS 27 HD2 HIS 27 -5.167 -1.867 0.194 229 HE1 HIS 27 HE1 HIS 27 -6.448 -4.244 -3.046 230 H THR 28 HN THR 28 -8.262 0.720 1.780 231 HA THR 28 HA THR 28 -9.140 1.453 3.758 232 HB THR 28 HB THR 28 -11.595 2.124 2.120 233 HG1 THR 28 HG1 THR 28 -10.013 3.047 0.936 234 HG21 THR 28 HG21 THR 28 -11.745 4.041 3.629 235 HG22 THR 28 HG22 THR 28 -10.285 3.511 4.465 236 HG23 THR 28 HG23 THR 28 -11.751 2.533 4.545 237 H GLY 29 HN GLY 29 -9.294 -1.200 3.677 238 HA2 GLY 29 HA2 GLY 29 -12.027 -2.065 4.209 239 HA3 GLY 29 HA1 GLY 29 -10.611 -3.099 4.096 240 H GLU 30 HN GLU 30 -9.243 -1.074 5.909 241 HA GLU 30 HA GLU 30 -9.825 -2.439 8.359 242 HB2 GLU 30 HB2 GLU 30 -7.543 -1.609 7.642 243 HB3 GLU 30 HB1 GLU 30 -8.105 0.015 8.006 244 HG2 GLU 30 HG2 GLU 30 -6.811 -0.816 9.842 245 HG3 GLU 30 HG1 GLU 30 -8.496 -0.669 10.336 246 H LYS 31 HN LYS 31 -10.777 0.529 6.866 247 HA LYS 31 HA LYS 31 -12.615 1.043 9.066 248 HB2 LYS 31 HB2 LYS 31 -10.574 2.411 9.493 249 HB3 LYS 31 HB1 LYS 31 -10.815 3.193 7.938 250 HG2 LYS 31 HG2 LYS 31 -12.974 4.056 8.715 251 HG3 LYS 31 HG1 LYS 31 -12.707 3.289 10.281 252 HD2 LYS 31 HD2 LYS 31 -12.122 5.623 10.433 253 HD3 LYS 31 HD1 LYS 31 -10.655 4.651 10.550 254 HE2 LYS 31 HE2 LYS 31 -10.188 5.086 8.184 255 HE3 LYS 31 HE1 LYS 31 -11.653 6.058 8.074 256 HZ1 LYS 31 HZ1 LYS 31 -10.699 7.546 9.759 257 HZ2 LYS 31 HZ2 LYS 31 -9.757 7.477 8.357 258 HZ3 LYS 31 HZ3 LYS 31 -9.268 6.643 9.742 259 HN1 NH2 32 HN1 NH2 32 -13.865 0.076 7.265 260 HN2 NH2 32 HN2 NH2 32 -14.494 1.126 6.044 Start of MODEL 10 1 H1 ARG 1 HT1 ARG 1 13.458 -0.081 2.687 2 H2 ARG 1 HT2 ARG 1 14.111 -1.641 2.629 3 H3 ARG 1 HT3 ARG 1 14.368 -0.666 3.987 4 HA ARG 1 HA ARG 1 12.714 -2.355 4.420 5 HB2 ARG 1 HB2 ARG 1 12.556 -0.234 5.619 6 HB3 ARG 1 HB1 ARG 1 11.640 0.472 4.296 7 HG2 ARG 1 HG2 ARG 1 10.132 -0.090 6.061 8 HG3 ARG 1 HG1 ARG 1 9.852 -1.195 4.714 9 HD2 ARG 1 HD2 ARG 1 11.335 -2.847 5.884 10 HD3 ARG 1 HD1 ARG 1 11.351 -1.759 7.269 11 HE ARG 1 HE ARG 1 8.692 -2.184 6.647 12 HH11 ARG 1 HH11 ARG 1 11.422 -4.109 7.688 13 HH12 ARG 1 HH12 ARG 1 10.442 -5.291 8.489 14 HH21 ARG 1 HH21 ARG 1 8.145 -5.081 8.485 15 HH22 ARG 1 HH22 ARG 1 7.401 -3.729 7.689 16 HA PRO 2 HA PRO 2 10.157 -3.042 0.798 17 HB2 PRO 2 HB2 PRO 2 9.597 -5.624 1.282 18 HB3 PRO 2 HB1 PRO 2 11.173 -5.110 0.661 19 HG2 PRO 2 HG2 PRO 2 10.394 -5.942 3.410 20 HG3 PRO 2 HG1 PRO 2 11.923 -6.189 2.549 21 HD2 PRO 2 HD2 PRO 2 11.410 -4.209 4.465 22 HD3 PRO 2 HD1 PRO 2 12.781 -4.240 3.338 23 H PHE 3 HN PHE 3 8.527 -1.624 1.579 24 HA PHE 3 HA PHE 3 6.591 -2.401 3.515 25 HB2 PHE 3 HB2 PHE 3 6.425 -0.390 1.259 26 HB3 PHE 3 HB1 PHE 3 5.225 -0.568 2.531 27 HD1 PHE 3 HD1 PHE 3 8.342 0.925 1.581 28 HD2 PHE 3 HD2 PHE 3 5.908 -0.138 4.903 29 HE1 PHE 3 HE1 PHE 3 9.605 2.485 2.997 30 HE2 PHE 3 HE2 PHE 3 7.167 1.426 6.329 31 HZ PHE 3 HZ PHE 3 9.019 2.739 5.376 32 H NLE 4 HN NLE 4 4.603 -3.448 3.211 33 HA NLE 4 HA NLE 4 4.020 -4.370 0.505 34 HB2 NLE 4 HB1 NLE 4 4.476 -6.216 2.845 35 HB3 NLE 4 HB2 NLE 4 5.492 -6.078 1.421 36 HG2 NLE 4 HG1 NLE 4 3.661 -6.913 0.030 37 HG3 NLE 4 HG2 NLE 4 2.639 -7.048 1.460 38 HD2 NLE 4 HD1 NLE 4 4.214 -8.671 2.426 39 HD3 NLE 4 HD2 NLE 4 5.209 -8.554 0.967 40 HE1 NLE 4 HE1 NLE 4 2.340 -9.477 1.085 41 HE2 NLE 4 HE2 NLE 4 3.754 -10.511 0.874 42 HE3 NLE 4 HE3 NLE 4 3.318 -9.345 -0.375 43 H CYS 5 HN CYS 5 1.942 -4.210 0.098 44 HA CYS 5 HA CYS 5 -0.010 -4.076 2.218 45 HB2 CYS 5 HB2 CYS 5 -0.416 -2.710 0.269 46 HB3 CYS 5 HB1 CYS 5 -0.278 -4.107 -0.792 47 H THR 6 HN THR 6 -0.838 -5.820 3.128 48 HA THR 6 HA THR 6 -0.783 -8.343 1.612 49 HB THR 6 HB THR 6 0.809 -8.355 3.482 50 HG1 THR 6 HG1 THR 6 -1.364 -10.073 3.340 51 HG21 THR 6 HG21 THR 6 0.005 -8.264 5.805 52 HG22 THR 6 HG22 THR 6 -1.609 -7.865 5.219 53 HG23 THR 6 HG23 THR 6 -0.273 -6.748 4.947 54 H TRP 7 HN TRP 7 -2.802 -6.154 1.952 55 HA TRP 7 HA TRP 7 -4.938 -7.107 3.547 56 HB2 TRP 7 HB2 TRP 7 -4.664 -4.742 2.832 57 HB3 TRP 7 HB1 TRP 7 -5.014 -5.220 1.175 58 HD1 TRP 7 HD1 TRP 7 -6.688 -4.371 4.448 59 HE1 TRP 7 HE1 TRP 7 -9.237 -4.366 4.130 60 HE3 TRP 7 HE3 TRP 7 -6.930 -6.458 -0.218 61 HZ2 TRP 7 HZ2 TRP 7 -11.105 -5.149 2.168 62 HZ3 TRP 7 HZ3 TRP 7 -9.143 -6.802 -1.232 63 HH2 TRP 7 HH2 TRP 7 -11.178 -6.162 -0.069 64 HA DPR 8 HA DPR 8 -7.758 -9.238 0.742 65 HB2 DPR 8 HB2 DPR 8 -8.684 -10.858 2.071 66 HB3 DPR 8 HB1 DPR 8 -7.114 -11.419 2.658 67 HG2 DPR 8 HG2 DPR 8 -8.723 -9.049 3.525 68 HG3 DPR 8 HG1 DPR 8 -7.846 -10.229 4.520 69 HD2 DPR 8 HD2 DPR 8 -6.846 -7.780 3.952 70 HD3 DPR 8 HD1 DPR 8 -5.809 -9.207 4.152 71 H GLY 9 HN GLY 9 -7.106 -10.054 -1.146 72 HA2 GLY 9 HA2 GLY 9 -4.966 -12.079 -1.159 73 HA3 GLY 9 HA1 GLY 9 -6.179 -11.867 -2.419 74 H CYS 10 HN CYS 10 -4.780 -9.051 -1.094 75 HA CYS 10 HA CYS 10 -3.394 -8.522 -3.608 76 HB2 CYS 10 HB2 CYS 10 -5.011 -6.874 -2.752 77 HB3 CYS 10 HB1 CYS 10 -4.085 -6.728 -1.268 78 H GLY 11 HN GLY 11 -1.197 -8.347 -3.743 79 HA2 GLY 11 HA2 GLY 11 0.349 -8.354 -1.234 80 HA3 GLY 11 HA1 GLY 11 0.715 -9.506 -2.514 81 H LYS 12 HN LYS 12 -0.077 -6.052 -2.565 82 HA LYS 12 HA LYS 12 1.919 -5.572 -4.585 83 HB2 LYS 12 HB2 LYS 12 -0.440 -4.459 -4.221 84 HB3 LYS 12 HB1 LYS 12 0.458 -3.386 -3.158 85 HG2 LYS 12 HG2 LYS 12 0.339 -2.329 -5.268 86 HG3 LYS 12 HG1 LYS 12 1.993 -2.920 -5.087 87 HD2 LYS 12 HD2 LYS 12 1.510 -4.825 -6.489 88 HD3 LYS 12 HD1 LYS 12 -0.194 -4.375 -6.569 89 HE2 LYS 12 HE2 LYS 12 0.956 -3.745 -8.612 90 HE3 LYS 12 HE1 LYS 12 0.406 -2.315 -7.743 91 HZ1 LYS 12 HZ1 LYS 12 2.668 -2.089 -8.616 92 HZ2 LYS 12 HZ2 LYS 12 3.172 -3.386 -7.660 93 HZ3 LYS 12 HZ3 LYS 12 2.627 -1.962 -6.932 94 H ARG 13 HN ARG 13 3.951 -4.864 -4.260 95 HA ARG 13 HA ARG 13 4.702 -4.177 -1.505 96 HB2 ARG 13 HB2 ARG 13 6.246 -5.471 -3.736 97 HB3 ARG 13 HB1 ARG 13 7.040 -4.808 -2.314 98 HG2 ARG 13 HG2 ARG 13 5.864 -6.320 -0.875 99 HG3 ARG 13 HG1 ARG 13 4.883 -6.898 -2.224 100 HD2 ARG 13 HD2 ARG 13 6.751 -7.941 -3.247 101 HD3 ARG 13 HD1 ARG 13 7.881 -7.139 -2.159 102 HE ARG 13 HE ARG 13 6.931 -8.517 -0.356 103 HH11 ARG 13 HH11 ARG 13 6.280 -11.235 -3.240 104 HH12 ARG 13 HH12 ARG 13 6.428 -9.562 -3.661 105 HH21 ARG 13 HH21 ARG 13 6.726 -10.706 0.199 106 HH22 ARG 13 HH22 ARG 13 6.440 -11.891 -1.038 107 H PHE 14 HN PHE 14 6.062 -2.480 -1.065 108 HA PHE 14 HA PHE 14 6.556 -0.541 -3.215 109 HB2 PHE 14 HB2 PHE 14 5.327 0.124 -0.533 110 HB3 PHE 14 HB1 PHE 14 5.685 1.266 -1.827 111 HD1 PHE 14 HD1 PHE 14 3.419 -1.295 -0.620 112 HD2 PHE 14 HD2 PHE 14 4.340 1.314 -3.844 113 HE1 PHE 14 HE1 PHE 14 1.158 -1.631 -1.530 114 HE2 PHE 14 HE2 PHE 14 2.086 0.984 -4.767 115 HZ PHE 14 HZ PHE 14 0.533 -0.593 -3.668 116 H THR 15 HN THR 15 8.101 1.139 -2.541 117 HA THR 15 HA THR 15 10.033 0.110 -0.585 118 HB THR 15 HB THR 15 10.520 2.214 -2.704 119 HG1 THR 15 HG1 THR 15 11.011 -0.600 -2.832 120 HG21 THR 15 HG21 THR 15 12.154 2.149 -0.866 121 HG22 THR 15 HG22 THR 15 12.875 1.613 -2.383 122 HG23 THR 15 HG23 THR 15 12.413 0.430 -1.161 123 H ARG 16 HN ARG 16 7.774 2.592 -1.208 124 HA ARG 16 HA ARG 16 8.811 4.148 1.066 125 HB2 ARG 16 HB2 ARG 16 7.220 5.174 -1.295 126 HB3 ARG 16 HB1 ARG 16 7.821 6.144 0.043 127 HG2 ARG 16 HG2 ARG 16 10.116 5.625 -0.624 128 HG3 ARG 16 HG1 ARG 16 9.500 4.669 -1.973 129 HD2 ARG 16 HD2 ARG 16 8.364 6.696 -2.821 130 HD3 ARG 16 HD1 ARG 16 9.117 7.623 -1.526 131 HE ARG 16 HE ARG 16 11.068 6.220 -3.038 132 HH11 ARG 16 HH11 ARG 16 8.986 9.026 -3.101 133 HH12 ARG 16 HH12 ARG 16 9.985 9.908 -4.212 134 HH21 ARG 16 HH21 ARG 16 12.396 7.372 -4.505 135 HH22 ARG 16 HH22 ARG 16 11.928 8.964 -5.013 136 H SER 17 HN SER 17 7.383 4.740 2.642 137 HA SER 17 HA SER 17 5.156 3.032 3.009 138 HB2 SER 17 HB2 SER 17 6.570 3.824 4.870 139 HB3 SER 17 HB1 SER 17 5.981 5.467 4.607 140 HG SER 17 HG SER 17 4.585 3.204 5.564 141 H ASP 18 HN ASP 18 5.461 6.393 1.974 142 HA ASP 18 HA ASP 18 2.699 7.005 2.305 143 HB2 ASP 18 HB2 ASP 18 3.100 9.026 1.085 144 HB3 ASP 18 HB1 ASP 18 4.479 8.747 2.131 145 H GLU 19 HN GLU 19 4.548 5.503 -0.221 146 HA GLU 19 HA GLU 19 2.551 5.547 -2.221 147 HB2 GLU 19 HB2 GLU 19 4.911 3.731 -1.741 148 HB3 GLU 19 HB1 GLU 19 3.843 3.561 -3.123 149 HG2 GLU 19 HG2 GLU 19 5.282 6.117 -2.502 150 HG3 GLU 19 HG1 GLU 19 5.982 4.841 -3.498 151 H LEU 20 HN LEU 20 3.462 3.199 0.267 152 HA LEU 20 HA LEU 20 1.464 1.302 -0.257 153 HB2 LEU 20 HB2 LEU 20 3.282 0.715 1.173 154 HB3 LEU 20 HB1 LEU 20 2.915 2.024 2.279 155 HG LEU 20 HG LEU 20 0.831 0.887 2.934 156 HD11 LEU 20 HD11 LEU 20 0.469 -1.446 2.248 157 HD12 LEU 20 HD12 LEU 20 1.803 -1.297 1.105 158 HD13 LEU 20 HD13 LEU 20 0.352 -0.316 0.898 159 HD21 LEU 20 HD21 LEU 20 1.830 -0.834 4.264 160 HD22 LEU 20 HD22 LEU 20 2.977 0.501 4.142 161 HD23 LEU 20 HD23 LEU 20 3.205 -0.953 3.169 162 H GLN 21 HN GLN 21 1.474 4.150 1.858 163 HA GLN 21 HA GLN 21 -1.076 3.797 2.963 164 HB2 GLN 21 HB2 GLN 21 0.572 6.271 2.468 165 HB3 GLN 21 HB1 GLN 21 -0.994 6.329 3.265 166 HG2 GLN 21 HG2 GLN 21 -0.186 4.903 5.040 167 HG3 GLN 21 HG1 GLN 21 1.363 4.719 4.222 168 HE21 GLN 21 HE21 GLN 21 2.838 6.390 4.269 169 HE22 GLN 21 HE22 GLN 21 2.676 7.754 5.321 170 H ARG 22 HN ARG 22 -0.082 5.747 0.146 171 HA ARG 22 HA ARG 22 -2.589 6.586 -0.697 172 HB2 ARG 22 HB2 ARG 22 -0.698 7.505 -1.781 173 HB3 ARG 22 HB1 ARG 22 -0.074 5.920 -2.216 174 HG2 ARG 22 HG2 ARG 22 -0.937 7.030 -4.166 175 HG3 ARG 22 HG1 ARG 22 -1.931 5.629 -3.783 176 HD2 ARG 22 HD2 ARG 22 -3.557 7.148 -2.667 177 HD3 ARG 22 HD1 ARG 22 -2.586 8.520 -3.206 178 HE ARG 22 HE ARG 22 -3.046 7.243 -5.515 179 HH11 ARG 22 HH11 ARG 22 -6.589 8.340 -3.967 180 HH12 ARG 22 HH12 ARG 22 -5.209 8.181 -2.928 181 HH21 ARG 22 HH21 ARG 22 -4.859 7.450 -6.887 182 HH22 ARG 22 HH22 ARG 22 -6.391 7.915 -6.215 183 H HIS 23 HN HIS 23 -0.831 3.646 -1.646 184 HA HIS 23 HA HIS 23 -2.780 2.566 -3.308 185 HB2 HIS 23 HB2 HIS 23 -0.616 1.622 -3.395 186 HB3 HIS 23 HB1 HIS 23 -0.592 1.317 -1.664 187 HD1 HIS 23 HD1 HIS 23 -1.539 -0.267 -4.899 188 HD2 HIS 23 HD2 HIS 23 -2.176 -0.865 -0.818 189 HE1 HIS 23 HE1 HIS 23 -2.533 -2.608 -4.646 190 H LYS 24 HN LYS 24 -2.281 2.079 0.177 191 HA LYS 24 HA LYS 24 -4.227 0.103 0.521 192 HB2 LYS 24 HB2 LYS 24 -2.429 0.683 2.145 193 HB3 LYS 24 HB1 LYS 24 -3.308 2.150 2.545 194 HG2 LYS 24 HG2 LYS 24 -3.663 0.437 4.217 195 HG3 LYS 24 HG1 LYS 24 -5.170 0.815 3.382 196 HD2 LYS 24 HD2 LYS 24 -5.101 -1.190 2.139 197 HD3 LYS 24 HD1 LYS 24 -3.413 -1.488 2.562 198 HE2 LYS 24 HE2 LYS 24 -4.984 -2.943 3.790 199 HE3 LYS 24 HE1 LYS 24 -4.030 -1.920 4.860 200 HZ1 LYS 24 HZ1 LYS 24 -6.835 -1.410 4.026 201 HZ2 LYS 24 HZ2 LYS 24 -5.920 -0.425 5.047 202 HZ3 LYS 24 HZ3 LYS 24 -6.340 -1.986 5.535 203 H ARG 25 HN ARG 25 -4.494 3.546 0.260 204 HA ARG 25 HA ARG 25 -7.079 3.751 1.436 205 HB2 ARG 25 HB2 ARG 25 -5.497 5.629 -0.309 206 HB3 ARG 25 HB1 ARG 25 -7.060 6.040 0.391 207 HG2 ARG 25 HG2 ARG 25 -6.209 5.837 2.605 208 HG3 ARG 25 HG1 ARG 25 -4.691 5.157 2.017 209 HD2 ARG 25 HD2 ARG 25 -4.250 7.311 0.849 210 HD3 ARG 25 HD1 ARG 25 -5.695 7.975 1.613 211 HE ARG 25 HE ARG 25 -4.510 7.359 3.780 212 HH11 ARG 25 HH11 ARG 25 -1.427 8.888 1.706 213 HH12 ARG 25 HH12 ARG 25 -2.831 8.327 0.861 214 HH21 ARG 25 HH21 ARG 25 -1.331 8.758 4.003 215 HH22 ARG 25 HH22 ARG 25 -2.659 8.079 4.892 216 H THR 26 HN THR 26 -6.094 2.450 -1.498 217 HA THR 26 HA THR 26 -8.549 3.102 -2.888 218 HB THR 26 HB THR 26 -7.774 1.667 -4.682 219 HG1 THR 26 HG1 THR 26 -5.458 1.069 -3.139 220 HG21 THR 26 HG21 THR 26 -5.526 3.366 -3.598 221 HG22 THR 26 HG22 THR 26 -6.867 3.934 -4.592 222 HG23 THR 26 HG23 THR 26 -5.685 2.809 -5.264 223 H HIS 27 HN HIS 27 -7.347 0.625 -0.766 224 HA HIS 27 HA HIS 27 -9.505 -1.214 -1.339 225 HB2 HIS 27 HB2 HIS 27 -7.562 -1.127 0.977 226 HB3 HIS 27 HB1 HIS 27 -8.755 -2.391 0.729 227 HD1 HIS 27 HD1 HIS 27 -8.362 -3.655 -1.823 228 HD2 HIS 27 HD2 HIS 27 -5.167 -1.794 0.106 229 HE1 HIS 27 HE1 HIS 27 -6.226 -4.676 -2.780 230 H THR 28 HN THR 28 -8.772 1.342 0.940 231 HA THR 28 HA THR 28 -10.937 0.771 2.699 232 HB THR 28 HB THR 28 -8.780 2.117 3.209 233 HG1 THR 28 HG1 THR 28 -10.571 1.813 4.668 234 HG21 THR 28 HG21 THR 28 -9.079 3.803 1.432 235 HG22 THR 28 HG22 THR 28 -9.001 4.536 3.033 236 HG23 THR 28 HG23 THR 28 -10.556 4.352 2.222 237 H GLY 29 HN GLY 29 -12.557 2.599 3.180 238 HA2 GLY 29 HA2 GLY 29 -13.648 4.382 1.490 239 HA3 GLY 29 HA1 GLY 29 -14.142 2.853 0.773 240 H GLU 30 HN GLU 30 -14.687 1.272 2.796 241 HA GLU 30 HA GLU 30 -16.944 2.503 4.146 242 HB2 GLU 30 HB2 GLU 30 -15.926 -0.348 4.150 243 HB3 GLU 30 HB1 GLU 30 -17.395 0.194 4.943 244 HG2 GLU 30 HG2 GLU 30 -16.870 0.359 1.987 245 HG3 GLU 30 HG1 GLU 30 -17.819 -0.893 2.787 246 H LYS 31 HN LYS 31 -14.928 3.804 5.076 247 HA LYS 31 HA LYS 31 -14.646 3.075 7.819 248 HB2 LYS 31 HB2 LYS 31 -12.948 1.595 6.774 249 HB3 LYS 31 HB1 LYS 31 -12.167 3.007 6.084 250 HG2 LYS 31 HG2 LYS 31 -10.989 2.211 8.054 251 HG3 LYS 31 HG1 LYS 31 -11.645 3.828 8.314 252 HD2 LYS 31 HD2 LYS 31 -13.462 2.944 9.612 253 HD3 LYS 31 HD1 LYS 31 -12.992 1.288 9.221 254 HE2 LYS 31 HE2 LYS 31 -12.286 1.929 11.481 255 HE3 LYS 31 HE1 LYS 31 -10.912 1.566 10.442 256 HZ1 LYS 31 HZ1 LYS 31 -10.651 3.982 10.091 257 HZ2 LYS 31 HZ2 LYS 31 -10.453 3.528 11.706 258 HZ3 LYS 31 HZ3 LYS 31 -11.890 4.265 11.208 259 HN1 NH2 32 HN1 NH2 32 -15.732 5.167 7.611 260 HN2 NH2 32 HN2 NH2 32 -14.778 6.606 7.479
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