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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | in_recoord | stage | position | program | type |
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7112 |
1k0p ![]() ![]() |
cing | recoord | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ILE 1 1H ILE 1 10.304 3.976 3.679 2 2H ILE 1 2H ILE 1 10.993 3.915 5.157 3 HA ILE 1 HA ILE 1 10.255 1.745 5.568 4 HB ILE 1 HB ILE 1 8.584 3.850 5.129 5 1HG1 ILE 1 1HG1 ILE 1 8.555 2.311 7.705 6 2HG1 ILE 1 2HG1 ILE 1 9.967 3.243 7.247 7 1HG2 ILE 1 1HG2 ILE 1 6.407 2.704 5.937 8 2HG2 ILE 1 2HG2 ILE 1 6.887 2.170 4.324 9 3HG2 ILE 1 3HG2 ILE 1 7.233 1.138 5.729 10 1HD1 ILE 1 1HD1 ILE 1 8.414 4.695 8.549 11 2HD1 ILE 1 2HD1 ILE 1 8.610 5.315 6.888 12 3HD1 ILE 1 3HD1 ILE 1 7.124 4.444 7.332 13 H CYS 2 H CYS 2 8.474 2.624 2.695 14 HA CYS 2 HA CYS 2 7.796 -0.060 2.091 15 1HB CYS 2 2HB CYS 2 7.172 2.616 1.043 16 2HB CYS 2 1HB CYS 2 6.761 1.278 -0.017 17 HG CYS 2 HG CYS 2 5.724 1.906 3.017 18 H GLU 3 H GLU 3 8.993 -1.571 1.396 19 HA GLU 3 HA GLU 3 9.784 -1.417 -1.539 20 1HB GLU 3 1HB GLU 3 11.034 -2.913 0.771 21 2HB GLU 3 2HB GLU 3 10.785 -3.909 -0.656 22 1HG GLU 3 2HG GLU 3 12.424 -2.666 -1.912 23 2HG GLU 3 1HG GLU 3 12.130 -1.171 -1.028 24 HE2 GLU 3 HE2 GLU 3 15.324 -2.443 -0.068 25 H GLU 4 H GLU 4 9.305 -3.094 -2.933 26 HA GLU 4 HA GLU 4 6.395 -3.156 -2.719 27 1HB GLU 4 1HB GLU 4 6.577 -3.551 -5.254 28 2HB GLU 4 2HB GLU 4 7.375 -2.126 -4.631 29 1HG GLU 4 1HG GLU 4 9.429 -2.825 -5.487 30 2HG GLU 4 2HG GLU 4 9.306 -4.401 -4.712 31 HE2 GLU 4 HE2 GLU 4 8.453 -6.003 -7.558 32 HA PRO 5 HA PRO 5 5.343 -7.370 -2.484 33 1HB PRO 5 1HB PRO 5 6.932 -9.281 -1.280 34 2HB PRO 5 2HB PRO 5 7.128 -8.926 -3.006 35 1HG PRO 5 1HG PRO 5 8.772 -7.798 -0.672 36 2HG PRO 5 2HG PRO 5 9.391 -8.554 -2.154 37 1HD PRO 5 1HD PRO 5 9.086 -5.795 -1.754 38 2HD PRO 5 2HD PRO 5 9.100 -6.515 -3.402 39 H THR 6 H THR 6 6.168 -5.066 -0.829 40 HA THR 6 HA THR 6 5.118 -5.862 1.920 41 HB THR 6 HB THR 6 6.753 -3.337 1.724 42 HG1 THR 6 HG1 THR 6 7.853 -5.697 2.731 43 1HG2 THR 6 1HG2 THR 6 5.203 -4.140 3.785 44 2HG2 THR 6 2HG2 THR 6 6.561 -5.241 4.125 45 3HG2 THR 6 3HG2 THR 6 6.821 -3.486 4.115 46 H CYS 7 H CYS 7 5.119 -2.647 0.084 47 HA CYS 7 HA CYS 7 2.789 -2.220 -0.224 48 1HB CYS 7 2HB CYS 7 4.118 -2.059 -2.831 49 2HB CYS 7 1HB CYS 7 3.196 -0.780 -2.066 50 HG CYS 7 HG CYS 7 6.322 -1.620 -1.613 51 H ARG 8 H ARG 8 3.478 -4.555 -1.703 52 HA ARG 8 HA ARG 8 0.838 -5.061 -3.162 53 1HB ARG 8 1HB ARG 8 1.927 -6.377 -4.464 54 2HB ARG 8 2HB ARG 8 3.411 -6.389 -3.547 55 1HG ARG 8 1HG ARG 8 2.826 -8.412 -2.351 56 2HG ARG 8 2HG ARG 8 1.114 -8.221 -2.684 57 1HD ARG 8 1HD ARG 8 1.586 -8.689 -5.167 58 2HD ARG 8 2HD ARG 8 3.276 -9.043 -4.709 59 1HH1 ARG 8 1HH1 ARG 8 1.452 -10.258 -6.371 60 2HH1 ARG 8 2HH1 ARG 8 0.667 -11.917 -6.536 61 1HH2 ARG 8 1HH2 ARG 8 1.141 -12.504 -3.241 62 2HH2 ARG 8 2HH2 ARG 8 0.583 -13.165 -4.878 63 H ASN 9 H ASN 9 2.449 -6.135 -0.459 64 HA ASN 9 HA ASN 9 0.204 -7.083 1.231 65 1HB ASN 9 2HB ASN 9 3.104 -6.403 1.738 66 2HB ASN 9 1HB ASN 9 1.916 -6.487 3.057 67 1HD2 ASN 9 2HD2 ASN 9 3.235 -8.272 3.771 68 2HD2 ASN 9 1HD2 ASN 9 2.983 -9.900 2.953 69 H ARG 10 H ARG 10 1.366 -3.740 0.689 70 HA ARG 10 HA ARG 10 -0.951 -2.528 1.958 71 1HB ARG 10 2HB ARG 10 1.352 -0.826 1.060 72 2HB ARG 10 1HB ARG 10 0.117 -0.606 2.296 73 1HG ARG 10 1HG ARG 10 1.367 -1.689 3.988 74 2HG ARG 10 2HG ARG 10 2.148 -2.780 2.862 75 1HD ARG 10 1HD ARG 10 3.852 -1.308 2.363 76 2HD ARG 10 2HD ARG 10 2.883 0.136 2.700 77 1HH1 ARG 10 1HH1 ARG 10 1.603 0.526 4.446 78 2HH1 ARG 10 2HH1 ARG 10 1.731 1.002 6.221 79 1HH2 ARG 10 1HH2 ARG 10 4.427 -1.010 6.586 80 2HH2 ARG 10 2HH2 ARG 10 3.242 0.169 7.385 81 H THR 11 H THR 11 -0.578 -3.300 -0.524 82 HA THR 11 HA THR 11 -2.180 -1.565 -1.954 83 HB THR 11 HB THR 11 -0.604 -3.862 -2.389 84 HG1 THR 11 HG1 THR 11 0.374 -2.740 -3.921 85 1HG2 THR 11 1HG2 THR 11 -1.992 -4.211 -4.939 86 2HG2 THR 11 2HG2 THR 11 -3.023 -4.481 -3.501 87 3HG2 THR 11 3HG2 THR 11 -2.982 -2.957 -4.319 88 H ARG 12 H ARG 12 -1.873 -4.520 -0.731 89 HA ARG 12 HA ARG 12 -4.338 -5.624 -0.062 90 1HB ARG 12 2HB ARG 12 -2.635 -7.069 -0.245 91 2HB ARG 12 1HB ARG 12 -1.776 -5.715 0.401 92 1HG ARG 12 1HG ARG 12 -3.173 -8.117 1.875 93 2HG ARG 12 2HG ARG 12 -1.501 -7.632 2.110 94 1HD ARG 12 1HD ARG 12 -2.111 -5.763 3.467 95 2HD ARG 12 2HD ARG 12 -3.800 -5.818 3.022 96 1HH1 ARG 12 1HH1 ARG 12 -4.963 -5.688 4.449 97 2HH1 ARG 12 2HH1 ARG 12 -5.718 -6.343 5.998 98 1HH2 ARG 12 1HH2 ARG 12 -3.335 -8.736 6.180 99 2HH2 ARG 12 2HH2 ARG 12 -4.891 -8.029 6.894 100 H HIS 13 H HIS 13 -2.497 -4.284 2.423 101 HA HIS 13 HA HIS 13 -4.562 -2.505 3.365 102 1HB HIS 13 1HB HIS 13 -1.621 -1.669 3.706 103 2HB HIS 13 2HB HIS 13 -2.860 -1.469 4.911 104 HD2 HIS 13 HD2 HIS 13 0.057 -2.660 5.621 105 HE1 HIS 13 HE1 HIS 13 -2.119 -6.071 6.607 106 HE2 HIS 13 HE2 HIS 13 0.128 -4.873 7.055 107 H LEU 14 H LEU 14 -3.495 -2.218 0.898 108 HA LEU 14 HA LEU 14 -4.895 0.043 0.579 109 1HB LEU 14 1HB LEU 14 -3.497 0.115 -1.348 110 2HB LEU 14 2HB LEU 14 -3.894 -1.545 -1.624 111 HG LEU 14 HG LEU 14 -6.279 -0.726 -1.914 112 1HD1 LEU 14 1HD1 LEU 14 -4.566 1.536 -3.039 113 2HD1 LEU 14 2HD1 LEU 14 -6.321 1.298 -3.412 114 3HD1 LEU 14 3HD1 LEU 14 -5.814 1.632 -1.744 115 1HD2 LEU 14 1HD2 LEU 14 -4.131 -0.830 -4.056 116 2HD2 LEU 14 2HD2 LEU 14 -5.282 -2.139 -3.576 117 3HD2 LEU 14 3HD2 LEU 14 -5.915 -0.730 -4.395 118 HA PRO 15 HA PRO 15 -8.836 -1.860 0.592 119 1HB PRO 15 1HB PRO 15 -7.506 -4.582 1.326 120 2HB PRO 15 2HB PRO 15 -9.291 -4.381 1.075 121 1HG PRO 15 1HG PRO 15 -8.013 -5.189 -1.195 122 2HG PRO 15 2HG PRO 15 -8.851 -3.616 -1.352 123 1HD PRO 15 1HD PRO 15 -5.934 -4.169 -0.653 124 2HD PRO 15 2HD PRO 15 -6.585 -2.975 -1.889 125 H LEU 16 H LEU 16 -6.483 -1.776 2.273 126 HA LEU 16 HA LEU 16 -7.907 -1.501 4.658 127 1HB LEU 16 1HB LEU 16 -5.190 -2.073 4.643 128 2HB LEU 16 2HB LEU 16 -5.178 -0.342 4.889 129 HG LEU 16 HG LEU 16 -6.878 -2.131 6.689 130 1HD1 LEU 16 1HD2 LEU 16 -3.892 -1.480 7.074 131 2HD1 LEU 16 2HD2 LEU 16 -4.926 -2.199 8.329 132 3HD1 LEU 16 3HD2 LEU 16 -4.596 -3.091 6.821 133 1HD2 LEU 16 1HD1 LEU 16 -6.375 -0.309 8.417 134 2HD2 LEU 16 2HD1 LEU 16 -5.445 0.586 7.205 135 3HD2 LEU 16 3HD1 LEU 16 -7.194 0.363 6.985 136 H GLN 17 H GLN 17 -9.113 -0.348 2.993 137 HA GLN 17 HA GLN 17 -8.068 2.361 2.122 138 1HB GLN 17 1HB GLN 17 -9.210 2.063 0.160 139 2HB GLN 17 2HB GLN 17 -8.797 0.420 0.553 140 1HG GLN 17 1HG GLN 17 -11.293 0.339 1.630 141 2HG GLN 17 2HG GLN 17 -11.589 1.721 0.600 142 1HE2 GLN 17 2HE2 GLN 17 -9.818 0.768 -1.541 143 2HE2 GLN 17 1HE2 GLN 17 -10.710 -0.676 -2.267 144 H PHE 18 H PHE 18 -8.402 3.380 3.936 145 HA PHE 18 HA PHE 18 -10.521 5.468 3.800 146 1HB PHE 18 1HB PHE 18 -7.695 4.977 4.844 147 2HB PHE 18 2HB PHE 18 -7.838 6.564 4.150 148 HD1 PHE 18 HD1 PHE 18 -7.732 8.163 5.542 149 HD2 PHE 18 HD2 PHE 18 -10.118 4.746 6.588 150 HE1 PHE 18 HE1 PHE 18 -8.497 9.329 7.454 151 HE2 PHE 18 HE2 PHE 18 -10.914 5.866 8.519 152 HZ PHE 18 HZ PHE 18 -10.022 8.175 9.146 153 H SER 19 H SER 19 -7.864 4.403 2.063 154 HA SER 19 HA SER 19 -7.748 6.421 -0.226 155 1HB SER 19 1HB SER 19 -5.498 4.783 -0.134 156 2HB SER 19 2HB SER 19 -5.762 6.517 -0.028 157 HG SER 19 HG SER 19 -5.894 4.780 2.217 158 H ARG 20 H ARG 20 -8.521 5.877 -2.028 159 HA ARG 20 HA ARG 20 -8.032 3.150 -3.176 160 1HB ARG 20 2HB ARG 20 -10.558 3.641 -3.294 161 2HB ARG 20 1HB ARG 20 -10.084 5.042 -4.235 162 1HG ARG 20 2HG ARG 20 -10.946 3.162 -5.695 163 2HG ARG 20 1HG ARG 20 -9.277 3.556 -6.112 164 1HD ARG 20 1HD ARG 20 -8.424 1.591 -4.888 165 2HD ARG 20 2HD ARG 20 -10.005 1.264 -4.191 166 1HH1 ARG 20 1HH1 ARG 20 -7.781 2.085 -6.844 167 2HH1 ARG 20 2HH1 ARG 20 -7.737 1.560 -8.610 168 1HH2 ARG 20 1HH2 ARG 20 -10.385 -0.485 -8.081 169 2HH2 ARG 20 2HH2 ARG 20 -9.103 0.125 -9.270 170 H THR 21 H THR 21 -5.930 3.399 -3.521 171 HA THR 21 HA THR 21 -4.033 4.557 -3.741 172 HB THR 21 HB THR 21 -3.516 5.311 -5.779 173 HG1 THR 21 HG1 THR 21 -4.628 6.570 -7.090 174 1HG2 THR 21 1HG2 THR 21 -6.410 4.048 -6.368 175 2HG2 THR 21 2HG2 THR 21 -5.024 3.957 -7.479 176 3HG2 THR 21 3HG2 THR 21 -5.014 3.031 -5.953 177 H GLY 22 H GLY 22 -5.686 5.713 -1.927 178 1HA GLY 22 1HA GLY 22 -4.901 8.606 -1.735 179 2HA GLY 22 2HA GLY 22 -5.957 7.731 -0.677 180 HA PRO 23 HA PRO 23 -2.744 6.241 -2.095 181 1HB PRO 23 1HB PRO 23 -0.119 6.542 -1.933 182 2HB PRO 23 2HB PRO 23 -1.121 7.966 -1.728 183 1HG PRO 23 1HG PRO 23 0.220 6.203 0.463 184 2HG PRO 23 2HG PRO 23 0.302 7.976 0.333 185 1HD PRO 23 2HD PRO 23 -1.574 6.394 1.727 186 2HD PRO 23 1HD PRO 23 -1.775 8.180 1.486 187 H LEU 24 H LEU 24 -3.408 3.844 -1.851 188 HA LEU 24 HA LEU 24 -0.988 2.260 -1.244 189 1HB LEU 24 1HB LEU 24 -3.770 1.248 -0.557 190 2HB LEU 24 2HB LEU 24 -2.412 0.548 0.003 191 HG LEU 24 HG LEU 24 -2.355 3.361 0.963 192 1HD1 LEU 24 1HD2 LEU 24 -4.436 3.560 2.252 193 2HD1 LEU 24 2HD2 LEU 24 -4.919 3.246 0.574 194 3HD1 LEU 24 3HD2 LEU 24 -5.007 2.003 1.792 195 1HD2 LEU 24 1HD1 LEU 24 -2.997 0.752 2.515 196 2HD2 LEU 24 2HD1 LEU 24 -1.357 1.427 2.237 197 3HD2 LEU 24 3HD1 LEU 24 -2.515 2.290 3.265 198 H CYS 25 H CYS 25 -0.982 -0.165 -2.125 199 HA CYS 25 HA CYS 25 0.599 1.645 -1.944 200 1HB CYS 25 2HB CYS 25 0.188 -0.147 -0.613 201 2HB CYS 25 1HB CYS 25 1.476 -0.468 -1.620 202 HG CYS 25 HG CYS 25 1.245 1.946 -0.081 203 HA PRO 26 HA PRO 26 2.786 2.247 -5.330 204 1HB PRO 26 1HB PRO 26 1.987 1.819 -7.861 205 2HB PRO 26 2HB PRO 26 2.503 0.368 -6.970 206 1HG PRO 26 1HG PRO 26 -0.338 1.442 -7.370 207 2HG PRO 26 2HG PRO 26 0.287 -0.228 -7.559 208 1HD PRO 26 2HD PRO 26 -0.905 0.836 -5.130 209 2HD PRO 26 1HD PRO 26 -0.038 -0.730 -5.373 210 H ALA 27 H ALA 27 0.029 2.825 -4.000 211 HA ALA 27 HA ALA 27 0.084 5.696 -5.134 212 1HB ALA 27 1HB ALA 27 -2.156 4.885 -4.556 213 2HB ALA 27 2HB ALA 27 -1.607 4.320 -2.972 214 3HB ALA 27 3HB ALA 27 -1.641 6.065 -3.322 215 H CYS 28 H CYS 28 1.984 3.565 -3.445 216 HA CYS 28 HA CYS 28 2.254 5.019 -0.971 217 1HB CYS 28 1HB CYS 28 3.133 3.185 -0.157 218 2HB CYS 28 2HB CYS 28 2.926 2.534 -1.736 219 HG CYS 28 HG CYS 28 5.588 3.641 -0.143 220 H MET 29 H MET 29 3.002 7.050 -0.639 221 HA MET 29 HA MET 29 5.809 7.710 -1.451 222 1HB MET 29 1HB MET 29 3.668 9.229 0.159 223 2HB MET 29 2HB MET 29 5.248 9.891 -0.232 224 1HG MET 29 1HG MET 29 4.681 10.242 -2.493 225 2HG MET 29 2HG MET 29 3.675 8.802 -2.594 226 1HE MET 29 1HE MET 29 2.407 13.058 -2.065 227 2HE MET 29 2HE MET 29 3.459 12.598 -0.689 228 3HE MET 29 3HE MET 29 4.025 12.357 -2.369 229 H LYS 30 H LYS 30 6.222 5.595 -0.176 230 HA LYS 30 HA LYS 30 7.426 6.262 2.456 231 1HB LYS 30 1HB LYS 30 6.251 3.511 1.718 232 2HB LYS 30 2HB LYS 30 6.787 4.058 3.288 233 1HG LYS 30 1HG LYS 30 4.460 4.191 3.521 234 2HG LYS 30 2HG LYS 30 4.947 5.853 3.270 235 1HD LYS 30 1HD LYS 30 4.007 5.886 1.016 236 2HD LYS 30 2HD LYS 30 4.094 4.167 0.850 237 1HE LYS 30 1HE LYS 30 2.082 5.727 2.609 238 2HE LYS 30 2HE LYS 30 1.679 4.988 1.089 239 1HZ LYS 30 1HZ LYS 30 1.776 2.883 2.065 240 2HZ LYS 30 2HZ LYS 30 1.208 3.762 3.289 241 H ALA 31 H ALA 31 9.559 5.611 2.923 242 HA ALA 31 HA ALA 31 11.887 5.439 2.235 243 1HB ALA 31 1HB ALA 31 12.242 3.125 1.333 244 2HB ALA 31 2HB ALA 31 11.016 3.099 2.607 245 3HB ALA 31 3HB ALA 31 10.535 2.979 0.895 Start of MODEL 2 1 1H ILE 1 1H ILE 1 10.563 1.913 5.777 2 2H ILE 1 2H ILE 1 10.084 2.757 7.089 3 HA ILE 1 HA ILE 1 7.797 2.709 6.417 4 HB ILE 1 HB ILE 1 9.272 3.600 4.241 5 1HG1 ILE 1 1HG1 ILE 1 9.218 5.826 6.077 6 2HG1 ILE 1 2HG1 ILE 1 9.945 4.442 6.869 7 1HG2 ILE 1 1HG2 ILE 1 7.658 5.636 4.258 8 2HG2 ILE 1 2HG2 ILE 1 6.833 4.100 3.984 9 3HG2 ILE 1 3HG2 ILE 1 6.802 4.837 5.602 10 1HD1 ILE 1 1HD1 ILE 1 11.704 5.686 5.612 11 2HD1 ILE 1 2HD1 ILE 1 11.507 4.038 4.954 12 3HD1 ILE 1 3HD1 ILE 1 10.821 5.424 4.075 13 H CYS 2 H CYS 2 7.364 2.483 3.319 14 HA CYS 2 HA CYS 2 7.733 -0.491 3.075 15 1HB CYS 2 2HB CYS 2 5.539 -0.536 1.968 16 2HB CYS 2 1HB CYS 2 5.464 0.112 3.599 17 HG CYS 2 HG CYS 2 4.957 1.510 0.748 18 H GLU 3 H GLU 3 9.023 -1.247 1.782 19 HA GLU 3 HA GLU 3 8.962 -0.531 -1.180 20 1HB GLU 3 1HB GLU 3 10.749 -2.350 -1.377 21 2HB GLU 3 2HB GLU 3 11.239 -0.951 -0.432 22 1HG GLU 3 2HG GLU 3 10.638 -2.425 1.701 23 2HG GLU 3 1HG GLU 3 10.454 -3.775 0.586 24 HE2 GLU 3 HE2 GLU 3 14.113 -2.362 0.211 25 H GLU 4 H GLU 4 8.717 -2.212 -2.758 26 HA GLU 4 HA GLU 4 5.906 -2.856 -2.223 27 1HB GLU 4 1HB GLU 4 5.699 -2.687 -4.700 28 2HB GLU 4 2HB GLU 4 6.628 -1.362 -4.037 29 1HG GLU 4 1HG GLU 4 8.760 -2.944 -4.729 30 2HG GLU 4 2HG GLU 4 7.587 -3.692 -5.809 31 HE2 GLU 4 HE2 GLU 4 9.434 -0.863 -7.282 32 HA PRO 5 HA PRO 5 5.563 -7.131 -2.595 33 1HB PRO 5 1HB PRO 5 7.557 -8.923 -1.877 34 2HB PRO 5 2HB PRO 5 7.492 -8.294 -3.533 35 1HG PRO 5 1HG PRO 5 9.241 -7.302 -1.218 36 2HG PRO 5 2HG PRO 5 9.754 -7.664 -2.880 37 1HD PRO 5 1HD PRO 5 9.061 -5.116 -1.865 38 2HD PRO 5 2HD PRO 5 9.075 -5.488 -3.624 39 H THR 6 H THR 6 6.394 -4.993 -0.641 40 HA THR 6 HA THR 6 5.077 -6.368 1.743 41 HB THR 6 HB THR 6 6.143 -3.553 2.053 42 HG1 THR 6 HG1 THR 6 7.449 -6.027 2.351 43 1HG2 THR 6 1HG2 THR 6 4.410 -4.779 3.704 44 2HG2 THR 6 2HG2 THR 6 5.842 -5.691 4.240 45 3HG2 THR 6 3HG2 THR 6 5.801 -3.925 4.402 46 H CYS 7 H CYS 7 4.860 -3.136 0.191 47 HA CYS 7 HA CYS 7 2.555 -2.551 -0.054 48 1HB CYS 7 1HB CYS 7 4.189 -2.172 -2.469 49 2HB CYS 7 2HB CYS 7 2.938 -1.079 -1.914 50 HG CYS 7 HG CYS 7 5.985 -1.019 -1.582 51 H ARG 8 H ARG 8 3.102 -4.765 -1.784 52 HA ARG 8 HA ARG 8 0.385 -5.229 -3.126 53 1HB ARG 8 2HB ARG 8 2.564 -7.335 -2.840 54 2HB ARG 8 1HB ARG 8 1.010 -7.338 -3.705 55 1HG ARG 8 1HG ARG 8 1.929 -5.574 -5.317 56 2HG ARG 8 2HG ARG 8 3.471 -5.654 -4.488 57 1HD ARG 8 1HD ARG 8 3.521 -8.203 -5.075 58 2HD ARG 8 2HD ARG 8 2.139 -7.859 -6.153 59 1HH1 ARG 8 1HH1 ARG 8 4.175 -9.353 -6.714 60 2HH1 ARG 8 2HH1 ARG 8 5.302 -9.434 -8.169 61 1HH2 ARG 8 1HH2 ARG 8 5.096 -6.080 -8.543 62 2HH2 ARG 8 2HH2 ARG 8 5.827 -7.673 -9.142 63 H ASN 9 H ASN 9 2.005 -6.512 -0.436 64 HA ASN 9 HA ASN 9 -0.347 -7.300 1.168 65 1HB ASN 9 1HB ASN 9 1.304 -8.274 2.292 66 2HB ASN 9 2HB ASN 9 2.514 -7.351 1.449 67 1HD2 ASN 9 2HD2 ASN 9 2.639 -8.231 4.103 68 2HD2 ASN 9 1HD2 ASN 9 2.762 -6.699 5.111 69 H ARG 10 H ARG 10 1.176 -4.076 0.865 70 HA ARG 10 HA ARG 10 -1.117 -2.700 2.080 71 1HB ARG 10 2HB ARG 10 1.255 -1.041 1.236 72 2HB ARG 10 1HB ARG 10 0.130 -0.923 2.582 73 1HG ARG 10 2HG ARG 10 1.426 -2.838 3.738 74 2HG ARG 10 1HG ARG 10 2.618 -2.768 2.456 75 1HD ARG 10 1HD ARG 10 3.657 -1.018 3.398 76 2HD ARG 10 2HD ARG 10 2.153 -0.104 3.606 77 1HH1 ARG 10 1HH1 ARG 10 1.675 0.887 5.004 78 2HH1 ARG 10 2HH1 ARG 10 1.506 1.189 6.814 79 1HH2 ARG 10 1HH2 ARG 10 2.859 -1.839 7.473 80 2HH2 ARG 10 2HH2 ARG 10 2.072 -0.304 8.147 81 H THR 11 H THR 11 -0.896 -3.433 -0.407 82 HA THR 11 HA THR 11 -2.326 -1.766 -1.972 83 HB THR 11 HB THR 11 -0.819 -4.121 -2.224 84 HG1 THR 11 HG1 THR 11 0.209 -3.217 -3.874 85 1HG2 THR 11 1HG2 THR 11 -2.238 -4.613 -4.750 86 2HG2 THR 11 2HG2 THR 11 -3.260 -4.725 -3.285 87 3HG2 THR 11 3HG2 THR 11 -3.160 -3.271 -4.216 88 H ARG 12 H ARG 12 -2.144 -4.636 -0.576 89 HA ARG 12 HA ARG 12 -4.713 -5.642 0.042 90 1HB ARG 12 2HB ARG 12 -3.096 -7.163 -0.155 91 2HB ARG 12 1HB ARG 12 -2.153 -5.864 0.473 92 1HG ARG 12 1HG ARG 12 -3.681 -8.173 1.968 93 2HG ARG 12 2HG ARG 12 -1.983 -7.788 2.203 94 1HD ARG 12 1HD ARG 12 -2.454 -5.943 3.598 95 2HD ARG 12 2HD ARG 12 -4.116 -5.779 3.081 96 1HH1 ARG 12 1HH1 ARG 12 -1.279 -7.645 4.211 97 2HH1 ARG 12 2HH1 ARG 12 -1.135 -8.938 5.516 98 1HH2 ARG 12 1HH2 ARG 12 -4.426 -8.605 6.236 99 2HH2 ARG 12 2HH2 ARG 12 -2.792 -9.323 6.728 100 H HIS 13 H HIS 13 -2.811 -4.336 2.578 101 HA HIS 13 HA HIS 13 -4.797 -2.495 3.432 102 1HB HIS 13 1HB HIS 13 -2.038 -1.441 3.928 103 2HB HIS 13 2HB HIS 13 -3.203 -1.777 5.175 104 HD2 HIS 13 HD2 HIS 13 -3.533 -4.800 5.409 105 HE1 HIS 13 HE1 HIS 13 0.604 -4.963 5.847 106 HE2 HIS 13 HE2 HIS 13 -1.564 -6.274 6.359 107 H LEU 14 H LEU 14 -3.626 -2.310 0.986 108 HA LEU 14 HA LEU 14 -4.977 0.004 0.580 109 1HB LEU 14 1HB LEU 14 -3.519 0.029 -1.259 110 2HB LEU 14 2HB LEU 14 -3.948 -1.622 -1.533 111 HG LEU 14 HG LEU 14 -6.279 -0.851 -1.930 112 1HD1 LEU 14 1HD1 LEU 14 -4.650 1.560 -2.842 113 2HD1 LEU 14 2HD1 LEU 14 -6.373 1.254 -3.305 114 3HD1 LEU 14 3HD1 LEU 14 -5.952 1.504 -1.599 115 1HD2 LEU 14 1HD2 LEU 14 -4.049 -0.724 -3.987 116 2HD2 LEU 14 2HD2 LEU 14 -5.156 -2.110 -3.635 117 3HD2 LEU 14 3HD2 LEU 14 -5.822 -0.682 -4.393 118 HA PRO 15 HA PRO 15 -8.939 -1.883 0.512 119 1HB PRO 15 1HB PRO 15 -7.619 -4.549 1.445 120 2HB PRO 15 2HB PRO 15 -9.397 -4.379 1.129 121 1HG PRO 15 1HG PRO 15 -8.030 -5.310 -1.046 122 2HG PRO 15 2HG PRO 15 -8.902 -3.772 -1.326 123 1HD PRO 15 1HD PRO 15 -5.984 -4.208 -0.567 124 2HD PRO 15 2HD PRO 15 -6.671 -3.080 -1.845 125 H LEU 16 H LEU 16 -6.641 -1.724 2.281 126 HA LEU 16 HA LEU 16 -8.163 -1.306 4.589 127 1HB LEU 16 1HB LEU 16 -5.383 -1.888 4.601 128 2HB LEU 16 2HB LEU 16 -5.474 -0.195 5.028 129 HG LEU 16 HG LEU 16 -7.441 -1.529 6.661 130 1HD1 LEU 16 1HD1 LEU 16 -5.981 -3.162 7.943 131 2HD1 LEU 16 2HD1 LEU 16 -6.182 -3.700 6.268 132 3HD1 LEU 16 3HD1 LEU 16 -4.663 -2.926 6.769 133 1HD2 LEU 16 1HD2 LEU 16 -6.111 0.488 7.350 134 2HD2 LEU 16 2HD2 LEU 16 -5.960 -0.794 8.571 135 3HD2 LEU 16 3HD2 LEU 16 -4.633 -0.493 7.419 136 H GLN 17 H GLN 17 -9.198 -0.190 2.789 137 HA GLN 17 HA GLN 17 -8.105 2.528 2.000 138 1HB GLN 17 1HB GLN 17 -9.719 2.330 0.096 139 2HB GLN 17 2HB GLN 17 -8.498 1.093 0.152 140 1HG GLN 17 1HG GLN 17 -10.132 -0.500 -0.085 141 2HG GLN 17 2HG GLN 17 -10.731 -0.127 1.515 142 1HE2 GLN 17 2HE2 GLN 17 -12.173 -1.021 -0.783 143 2HE2 GLN 17 1HE2 GLN 17 -13.402 0.312 -1.151 144 H PHE 18 H PHE 18 -8.539 3.549 3.784 145 HA PHE 18 HA PHE 18 -10.656 5.629 3.534 146 1HB PHE 18 1HB PHE 18 -7.949 5.118 4.795 147 2HB PHE 18 2HB PHE 18 -7.941 6.669 4.010 148 HD1 PHE 18 HD1 PHE 18 -9.043 4.780 6.886 149 HD2 PHE 18 HD2 PHE 18 -9.070 8.583 4.886 150 HE1 PHE 18 HE1 PHE 18 -9.030 5.849 8.989 151 HE2 PHE 18 HE2 PHE 18 -9.064 9.708 6.971 152 HZ PHE 18 HZ PHE 18 -9.102 8.396 9.157 153 H SER 19 H SER 19 -7.913 4.568 1.924 154 HA SER 19 HA SER 19 -7.740 6.561 -0.384 155 1HB SER 19 1HB SER 19 -5.481 5.020 -0.325 156 2HB SER 19 2HB SER 19 -5.789 6.720 -0.001 157 HG SER 19 HG SER 19 -5.864 4.690 1.985 158 H ARG 20 H ARG 20 -8.468 5.999 -2.201 159 HA ARG 20 HA ARG 20 -7.967 3.251 -3.300 160 1HB ARG 20 1HB ARG 20 -10.324 4.851 -3.685 161 2HB ARG 20 2HB ARG 20 -9.636 4.489 -5.256 162 1HG ARG 20 2HG ARG 20 -10.706 2.457 -3.204 163 2HG ARG 20 1HG ARG 20 -11.320 2.757 -4.830 164 1HD ARG 20 1HD ARG 20 -9.340 1.726 -5.861 165 2HD ARG 20 2HD ARG 20 -8.486 1.669 -4.324 166 1HH1 ARG 20 1HH1 ARG 20 -9.133 0.163 -6.772 167 2HH1 ARG 20 2HH1 ARG 20 -9.743 -1.537 -7.141 168 1HH2 ARG 20 1HH2 ARG 20 -10.979 -1.799 -4.005 169 2HH2 ARG 20 2HH2 ARG 20 -10.812 -2.569 -5.681 170 H THR 21 H THR 21 -5.853 3.453 -3.600 171 HA THR 21 HA THR 21 -3.936 4.601 -3.748 172 HB THR 21 HB THR 21 -3.330 5.294 -5.782 173 HG1 THR 21 HG1 THR 21 -4.480 6.433 -7.254 174 1HG2 THR 21 1HG2 THR 21 -6.212 4.049 -6.458 175 2HG2 THR 21 2HG2 THR 21 -4.783 3.915 -7.508 176 3HG2 THR 21 3HG2 THR 21 -4.846 3.027 -5.962 177 H GLY 22 H GLY 22 -5.648 5.818 -2.026 178 1HA GLY 22 1HA GLY 22 -4.705 8.679 -1.838 179 2HA GLY 22 2HA GLY 22 -5.885 7.896 -0.841 180 HA PRO 23 HA PRO 23 -2.733 6.118 -2.030 181 1HB PRO 23 1HB PRO 23 -0.111 6.217 -1.722 182 2HB PRO 23 2HB PRO 23 -0.999 7.722 -1.570 183 1HG PRO 23 1HG PRO 23 0.028 5.844 0.697 184 2HG PRO 23 2HG PRO 23 0.321 7.595 0.566 185 1HD PRO 23 1HD PRO 23 -1.904 6.398 1.953 186 2HD PRO 23 2HD PRO 23 -1.672 8.116 1.423 187 H LEU 24 H LEU 24 -3.556 3.665 -1.773 188 HA LEU 24 HA LEU 24 -1.110 2.125 -1.161 189 1HB LEU 24 1HB LEU 24 -3.910 1.469 -0.204 190 2HB LEU 24 2HB LEU 24 -2.746 0.346 -0.023 191 HG LEU 24 HG LEU 24 -1.385 2.311 1.305 192 1HD1 LEU 24 1HD2 LEU 24 -2.798 3.947 2.497 193 2HD1 LEU 24 2HD2 LEU 24 -3.172 4.127 0.773 194 3HD1 LEU 24 3HD2 LEU 24 -4.266 3.314 1.860 195 1HD2 LEU 24 1HD1 LEU 24 -3.881 0.981 2.577 196 2HD2 LEU 24 2HD1 LEU 24 -2.247 0.249 2.457 197 3HD2 LEU 24 3HD1 LEU 24 -2.517 1.662 3.491 198 H CYS 25 H CYS 25 -1.108 -0.316 -2.028 199 HA CYS 25 HA CYS 25 0.445 1.517 -1.799 200 1HB CYS 25 2HB CYS 25 -0.085 -0.245 -0.454 201 2HB CYS 25 1HB CYS 25 1.324 -0.575 -1.307 202 HG CYS 25 HG CYS 25 0.784 1.939 0.022 203 HA PRO 26 HA PRO 26 2.817 2.027 -5.075 204 1HB PRO 26 1HB PRO 26 1.535 1.692 -7.646 205 2HB PRO 26 2HB PRO 26 2.930 0.754 -7.065 206 1HG PRO 26 1HG PRO 26 0.374 -0.357 -7.512 207 2HG PRO 26 2HG PRO 26 1.635 -1.049 -6.441 208 1HD PRO 26 1HD PRO 26 -0.634 0.849 -5.613 209 2HD PRO 26 2HD PRO 26 -0.286 -0.798 -4.918 210 H ALA 27 H ALA 27 -0.065 2.616 -3.902 211 HA ALA 27 HA ALA 27 -0.010 5.485 -5.031 212 1HB ALA 27 1HB ALA 27 -2.229 4.620 -4.447 213 2HB ALA 27 2HB ALA 27 -1.666 4.080 -2.859 214 3HB ALA 27 3HB ALA 27 -1.746 5.821 -3.221 215 H CYS 28 H CYS 28 1.898 3.397 -3.269 216 HA CYS 28 HA CYS 28 1.941 4.750 -0.746 217 1HB CYS 28 1HB CYS 28 3.315 3.160 0.131 218 2HB CYS 28 2HB CYS 28 2.562 2.393 -1.212 219 HG CYS 28 HG CYS 28 5.612 2.838 -0.521 220 H MET 29 H MET 29 4.524 5.162 -3.091 221 HA MET 29 HA MET 29 6.769 5.871 -2.502 222 1HB MET 29 1HB MET 29 6.119 7.480 -4.116 223 2HB MET 29 2HB MET 29 4.957 8.257 -3.051 224 1HG MET 29 1HG MET 29 6.678 9.500 -1.891 225 2HG MET 29 2HG MET 29 7.954 8.385 -2.364 226 1HE MET 29 1HE MET 29 9.622 9.054 -3.584 227 2HE MET 29 2HE MET 29 9.079 8.444 -5.178 228 3HE MET 29 3HE MET 29 9.664 10.126 -5.016 229 H LYS 30 H LYS 30 6.046 4.886 -0.297 230 HA LYS 30 HA LYS 30 6.977 6.675 1.848 231 1HB LYS 30 1HB LYS 30 5.516 3.972 1.891 232 2HB LYS 30 2HB LYS 30 6.301 4.586 3.325 233 1HG LYS 30 1HG LYS 30 4.305 5.520 3.842 234 2HG LYS 30 2HG LYS 30 4.840 6.816 2.796 235 1HD LYS 30 1HD LYS 30 3.532 5.720 0.863 236 2HD LYS 30 2HD LYS 30 3.072 4.427 1.916 237 1HE LYS 30 1HE LYS 30 1.936 7.190 1.642 238 2HE LYS 30 2HE LYS 30 1.097 5.747 2.126 239 1HZ LYS 30 1HZ LYS 30 1.182 6.741 4.143 240 2HZ LYS 30 2HZ LYS 30 2.299 7.815 3.707 241 H ALA 31 H ALA 31 8.097 3.785 0.276 242 HA ALA 31 HA ALA 31 10.823 4.156 1.290 243 1HB ALA 31 1HB ALA 31 11.151 1.957 2.453 244 2HB ALA 31 2HB ALA 31 9.924 2.912 3.297 245 3HB ALA 31 3HB ALA 31 9.443 1.543 2.263 Start of MODEL 3 1 1H ILE 1 1H ILE 1 9.415 1.643 7.263 2 2H ILE 1 2H ILE 1 9.393 3.274 7.238 3 HA ILE 1 HA ILE 1 8.510 3.337 5.046 4 HB ILE 1 HB ILE 1 10.745 1.680 5.081 5 1HG1 ILE 1 1HG1 ILE 1 11.647 4.446 4.966 6 2HG1 ILE 1 2HG1 ILE 1 10.708 4.149 6.417 7 1HG2 ILE 1 1HG2 ILE 1 11.547 2.993 2.997 8 2HG2 ILE 1 2HG2 ILE 1 10.058 2.085 2.718 9 3HG2 ILE 1 3HG2 ILE 1 9.975 3.833 3.029 10 1HD1 ILE 1 1HD1 ILE 1 13.092 3.561 6.849 11 2HD1 ILE 1 2HD1 ILE 1 12.052 2.118 6.994 12 3HD1 ILE 1 3HD1 ILE 1 13.050 2.339 5.539 13 H CYS 2 H CYS 2 7.993 2.147 3.036 14 HA CYS 2 HA CYS 2 6.743 -0.481 3.514 15 1HB CYS 2 2HB CYS 2 6.167 1.884 2.093 16 2HB CYS 2 1HB CYS 2 6.114 0.561 0.934 17 HG CYS 2 HG CYS 2 3.752 1.348 2.077 18 H GLU 3 H GLU 3 8.385 0.422 0.557 19 HA GLU 3 HA GLU 3 9.303 -0.923 -1.176 20 1HB GLU 3 1HB GLU 3 10.309 -2.242 1.375 21 2HB GLU 3 2HB GLU 3 10.376 -3.246 -0.068 22 1HG GLU 3 2HG GLU 3 11.818 -0.563 0.501 23 2HG GLU 3 1HG GLU 3 12.543 -2.132 0.167 24 HE2 GLU 3 HE2 GLU 3 11.744 0.343 -2.747 25 H GLU 4 H GLU 4 8.790 -2.377 -2.636 26 HA GLU 4 HA GLU 4 5.930 -2.884 -2.280 27 1HB GLU 4 1HB GLU 4 6.079 -3.043 -4.895 28 2HB GLU 4 2HB GLU 4 6.512 -1.536 -4.121 29 1HG GLU 4 1HG GLU 4 8.707 -1.631 -4.939 30 2HG GLU 4 2HG GLU 4 8.910 -3.323 -4.495 31 HE2 GLU 4 HE2 GLU 4 9.085 -3.843 -7.836 32 HA PRO 5 HA PRO 5 5.497 -7.233 -2.583 33 1HB PRO 5 1HB PRO 5 7.386 -8.977 -1.580 34 2HB PRO 5 2HB PRO 5 7.493 -8.444 -3.267 35 1HG PRO 5 1HG PRO 5 9.021 -7.339 -0.852 36 2HG PRO 5 2HG PRO 5 9.685 -7.788 -2.437 37 1HD PRO 5 2HD PRO 5 8.930 -5.138 -1.659 38 2HD PRO 5 1HD PRO 5 9.097 -5.711 -3.355 39 H THR 6 H THR 6 6.365 -4.992 -0.638 40 HA THR 6 HA THR 6 4.990 -6.091 1.862 41 HB THR 6 HB THR 6 6.084 -3.292 1.894 42 HG1 THR 6 HG1 THR 6 7.587 -5.364 2.977 43 1HG2 THR 6 1HG2 THR 6 4.986 -3.603 3.952 44 2HG2 THR 6 2HG2 THR 6 5.125 -5.377 3.893 45 3HG2 THR 6 3HG2 THR 6 6.512 -4.392 4.397 46 H CYS 7 H CYS 7 4.779 -2.995 -0.003 47 HA CYS 7 HA CYS 7 2.449 -2.534 -0.324 48 1HB CYS 7 2HB CYS 7 4.177 -2.356 -2.722 49 2HB CYS 7 1HB CYS 7 2.889 -1.223 -2.365 50 HG CYS 7 HG CYS 7 5.642 -0.538 -2.149 51 H ARG 8 H ARG 8 3.127 -4.785 -1.935 52 HA ARG 8 HA ARG 8 0.505 -5.203 -3.463 53 1HB ARG 8 1HB ARG 8 1.614 -6.447 -4.818 54 2HB ARG 8 2HB ARG 8 3.097 -6.453 -3.899 55 1HG ARG 8 2HG ARG 8 2.353 -8.471 -2.617 56 2HG ARG 8 1HG ARG 8 0.795 -8.472 -3.422 57 1HD ARG 8 1HD ARG 8 1.849 -9.016 -5.604 58 2HD ARG 8 2HD ARG 8 3.478 -8.807 -4.902 59 1HH1 ARG 8 1HH1 ARG 8 0.093 -10.018 -4.857 60 2HH1 ARG 8 2HH1 ARG 8 -0.484 -11.768 -4.832 61 1HH2 ARG 8 1HH2 ARG 8 2.517 -12.765 -3.634 62 2HH2 ARG 8 2HH2 ARG 8 0.768 -13.224 -4.032 63 H ASN 9 H ASN 9 2.082 -6.588 -0.853 64 HA ASN 9 HA ASN 9 -0.228 -7.484 0.792 65 1HB ASN 9 2HB ASN 9 2.711 -7.037 1.310 66 2HB ASN 9 1HB ASN 9 1.526 -7.097 2.633 67 1HD2 ASN 9 2HD2 ASN 9 0.368 -9.056 2.948 68 2HD2 ASN 9 1HD2 ASN 9 1.081 -10.600 2.246 69 H ARG 10 H ARG 10 1.147 -4.261 0.328 70 HA ARG 10 HA ARG 10 -1.026 -2.817 1.696 71 1HB ARG 10 2HB ARG 10 1.466 -1.353 0.769 72 2HB ARG 10 1HB ARG 10 0.277 -1.038 2.041 73 1HG ARG 10 2HG ARG 10 1.577 -3.337 3.014 74 2HG ARG 10 1HG ARG 10 2.900 -2.504 2.221 75 1HD ARG 10 1HD ARG 10 3.035 -0.968 3.854 76 2HD ARG 10 2HD ARG 10 1.292 -0.649 3.845 77 1HH1 ARG 10 1HH1 ARG 10 3.656 -0.518 5.575 78 2HH1 ARG 10 2HH1 ARG 10 3.983 -1.050 7.308 79 1HH2 ARG 10 1HH2 ARG 10 1.281 -3.093 7.186 80 2HH2 ARG 10 2HH2 ARG 10 2.648 -2.382 8.214 81 H THR 11 H THR 11 -0.928 -3.524 -0.797 82 HA THR 11 HA THR 11 -2.307 -1.810 -2.337 83 HB THR 11 HB THR 11 -0.845 -4.185 -2.628 84 HG1 THR 11 HG1 THR 11 -0.372 -1.961 -3.608 85 1HG2 THR 11 1HG2 THR 11 -2.279 -4.608 -5.162 86 2HG2 THR 11 2HG2 THR 11 -3.301 -4.725 -3.696 87 3HG2 THR 11 3HG2 THR 11 -3.174 -3.257 -4.603 88 H ARG 12 H ARG 12 -2.160 -4.740 -1.025 89 HA ARG 12 HA ARG 12 -4.729 -5.636 -0.277 90 1HB ARG 12 2HB ARG 12 -3.150 -7.205 -0.543 91 2HB ARG 12 1HB ARG 12 -2.173 -5.942 0.097 92 1HG ARG 12 2HG ARG 12 -3.831 -8.164 1.561 93 2HG ARG 12 1HG ARG 12 -2.102 -7.972 1.797 94 1HD ARG 12 1HD ARG 12 -2.401 -6.109 3.241 95 2HD ARG 12 2HD ARG 12 -4.035 -5.774 2.719 96 1HH1 ARG 12 1HH1 ARG 12 -1.369 -7.756 3.979 97 2HH1 ARG 12 2HH1 ARG 12 -1.317 -8.912 5.413 98 1HH2 ARG 12 1HH2 ARG 12 -4.682 -8.736 5.711 99 2HH2 ARG 12 2HH2 ARG 12 -3.087 -9.362 6.414 100 H HIS 13 H HIS 13 -2.681 -4.446 2.162 101 HA HIS 13 HA HIS 13 -4.588 -2.502 3.106 102 1HB HIS 13 1HB HIS 13 -1.471 -2.417 3.405 103 2HB HIS 13 2HB HIS 13 -2.504 -1.279 4.219 104 HD2 HIS 13 HD2 HIS 13 -1.813 -1.748 6.694 105 HE1 HIS 13 HE1 HIS 13 -2.828 -5.786 6.895 106 HE2 HIS 13 HE2 HIS 13 -2.052 -3.791 8.356 107 H LEU 14 H LEU 14 -3.540 -2.309 0.623 108 HA LEU 14 HA LEU 14 -4.865 -0.008 0.257 109 1HB LEU 14 1HB LEU 14 -3.503 0.029 -1.668 110 2HB LEU 14 2HB LEU 14 -3.890 -1.639 -1.901 111 HG LEU 14 HG LEU 14 -6.275 -0.880 -2.190 112 1HD1 LEU 14 1HD1 LEU 14 -4.656 1.434 -3.339 113 2HD1 LEU 14 2HD1 LEU 14 -6.403 1.130 -3.701 114 3HD1 LEU 14 3HD1 LEU 14 -5.899 1.486 -2.037 115 1HD2 LEU 14 1HD2 LEU 14 -4.145 -0.938 -4.351 116 2HD2 LEU 14 2HD2 LEU 14 -5.261 -2.270 -3.853 117 3HD2 LEU 14 3HD2 LEU 14 -5.933 -0.882 -4.678 118 HA PRO 15 HA PRO 15 -8.836 -1.907 0.344 119 1HB PRO 15 1HB PRO 15 -7.440 -4.532 1.285 120 2HB PRO 15 2HB PRO 15 -9.233 -4.396 1.046 121 1HG PRO 15 1HG PRO 15 -7.948 -5.355 -1.166 122 2HG PRO 15 2HG PRO 15 -8.859 -3.839 -1.441 123 1HD PRO 15 1HD PRO 15 -5.903 -4.213 -0.813 124 2HD PRO 15 2HD PRO 15 -6.665 -3.112 -2.072 125 H LEU 16 H LEU 16 -6.486 -1.683 2.036 126 HA LEU 16 HA LEU 16 -7.942 -1.199 4.366 127 1HB LEU 16 1HB LEU 16 -5.242 -1.848 4.447 128 2HB LEU 16 2HB LEU 16 -5.182 -0.105 4.566 129 HG LEU 16 HG LEU 16 -6.994 -1.661 6.459 130 1HD1 LEU 16 1HD2 LEU 16 -3.969 -1.217 6.843 131 2HD1 LEU 16 2HD2 LEU 16 -5.065 -1.769 8.129 132 3HD1 LEU 16 3HD2 LEU 16 -4.791 -2.783 6.688 133 1HD2 LEU 16 1HD1 LEU 16 -6.364 0.229 8.068 134 2HD2 LEU 16 2HD1 LEU 16 -5.356 0.965 6.812 135 3HD2 LEU 16 3HD1 LEU 16 -7.115 0.862 6.582 136 H GLN 17 H GLN 17 -9.050 -0.149 2.568 137 HA GLN 17 HA GLN 17 -8.006 2.561 1.682 138 1HB GLN 17 1HB GLN 17 -9.281 2.304 -0.266 139 2HB GLN 17 2HB GLN 17 -8.615 0.727 0.044 140 1HG GLN 17 1HG GLN 17 -11.038 0.263 1.214 141 2HG GLN 17 2HG GLN 17 -11.561 1.597 0.212 142 1HE2 GLN 17 2HE2 GLN 17 -12.277 -1.209 0.162 143 2HE2 GLN 17 1HE2 GLN 17 -11.885 -1.750 -1.559 144 H PHE 18 H PHE 18 -8.407 3.465 3.608 145 HA PHE 18 HA PHE 18 -10.435 5.641 3.452 146 1HB PHE 18 1HB PHE 18 -7.981 4.889 4.914 147 2HB PHE 18 2HB PHE 18 -7.549 6.317 4.023 148 HD1 PHE 18 HD1 PHE 18 -10.007 5.127 6.571 149 HD2 PHE 18 HD2 PHE 18 -7.645 8.330 4.951 150 HE1 PHE 18 HE1 PHE 18 -10.063 6.189 8.676 151 HE2 PHE 18 HE2 PHE 18 -7.673 9.442 7.041 152 HZ PHE 18 HZ PHE 18 -8.936 8.453 9.025 153 H SER 19 H SER 19 -7.692 4.583 1.839 154 HA SER 19 HA SER 19 -7.418 6.702 -0.345 155 1HB SER 19 1HB SER 19 -5.199 5.137 -0.380 156 2HB SER 19 2HB SER 19 -5.482 6.798 0.117 157 HG SER 19 HG SER 19 -4.722 6.162 1.923 158 H ARG 20 H ARG 20 -8.155 6.267 -2.188 159 HA ARG 20 HA ARG 20 -7.821 3.552 -3.448 160 1HB ARG 20 1HB ARG 20 -9.991 5.408 -3.779 161 2HB ARG 20 2HB ARG 20 -9.300 5.085 -5.354 162 1HG ARG 20 2HG ARG 20 -10.614 3.029 -3.469 163 2HG ARG 20 1HG ARG 20 -11.190 3.536 -5.056 164 1HD ARG 20 1HD ARG 20 -9.292 2.410 -6.182 165 2HD ARG 20 2HD ARG 20 -8.528 2.048 -4.640 166 1HH1 ARG 20 1HH1 ARG 20 -7.999 0.221 -4.518 167 2HH1 ARG 20 2HH1 ARG 20 -8.281 -1.558 -4.909 168 1HH2 ARG 20 1HH2 ARG 20 -11.561 -0.967 -5.424 169 2HH2 ARG 20 2HH2 ARG 20 -10.259 -2.224 -5.036 170 H THR 21 H THR 21 -5.686 3.571 -3.671 171 HA THR 21 HA THR 21 -3.671 4.585 -3.647 172 HB THR 21 HB THR 21 -2.895 5.270 -5.637 173 HG1 THR 21 HG1 THR 21 -3.652 6.809 -6.731 174 1HG2 THR 21 1HG2 THR 21 -5.769 4.105 -6.473 175 2HG2 THR 21 2HG2 THR 21 -4.284 3.913 -7.434 176 3HG2 THR 21 3HG2 THR 21 -4.468 3.049 -5.884 177 H GLY 22 H GLY 22 -5.338 5.931 -1.994 178 1HA GLY 22 1HA GLY 22 -4.271 8.729 -1.781 179 2HA GLY 22 2HA GLY 22 -5.444 7.972 -0.756 180 HA PRO 23 HA PRO 23 -2.346 6.183 -2.066 181 1HB PRO 23 1HB PRO 23 0.274 6.078 -1.773 182 2HB PRO 23 2HB PRO 23 -0.506 7.638 -1.586 183 1HG PRO 23 1HG PRO 23 0.377 5.643 0.643 184 2HG PRO 23 2HG PRO 23 0.824 7.362 0.534 185 1HD PRO 23 1HD PRO 23 -1.468 6.380 1.940 186 2HD PRO 23 2HD PRO 23 -1.131 8.063 1.363 187 H LEU 24 H LEU 24 -3.357 3.823 -1.890 188 HA LEU 24 HA LEU 24 -1.057 2.065 -1.336 189 1HB LEU 24 1HB LEU 24 -3.963 1.483 -0.613 190 2HB LEU 24 2HB LEU 24 -2.855 0.308 -0.415 191 HG LEU 24 HG LEU 24 -3.278 1.257 1.760 192 1HD1 LEU 24 1HD2 LEU 24 -1.148 2.062 2.697 193 2HD1 LEU 24 2HD2 LEU 24 -0.735 0.927 1.398 194 3HD1 LEU 24 3HD2 LEU 24 -0.573 2.649 1.185 195 1HD2 LEU 24 1HD1 LEU 24 -2.560 4.084 0.705 196 2HD2 LEU 24 2HD1 LEU 24 -4.210 3.494 1.093 197 3HD2 LEU 24 3HD1 LEU 24 -3.014 3.714 2.383 198 H CYS 25 H CYS 25 -1.127 -0.308 -2.384 199 HA CYS 25 HA CYS 25 0.467 1.513 -2.056 200 1HB CYS 25 2HB CYS 25 -0.229 -0.270 -0.790 201 2HB CYS 25 1HB CYS 25 1.274 -0.556 -1.523 202 HG CYS 25 HG CYS 25 2.572 0.239 0.264 203 HA PRO 26 HA PRO 26 2.966 1.848 -5.283 204 1HB PRO 26 1HB PRO 26 1.591 1.676 -7.828 205 2HB PRO 26 2HB PRO 26 2.958 0.657 -7.317 206 1HG PRO 26 1HG PRO 26 0.366 -0.343 -7.734 207 2HG PRO 26 2HG PRO 26 1.597 -1.095 -6.670 208 1HD PRO 26 1HD PRO 26 -0.564 0.918 -5.814 209 2HD PRO 26 2HD PRO 26 -0.325 -0.757 -5.140 210 H ALA 27 H ALA 27 0.071 2.602 -4.073 211 HA ALA 27 HA ALA 27 0.331 5.491 -5.108 212 1HB ALA 27 1HB ALA 27 -1.923 4.745 -4.493 213 2HB ALA 27 2HB ALA 27 -1.357 4.124 -2.936 214 3HB ALA 27 3HB ALA 27 -1.336 5.876 -3.246 215 H CYS 28 H CYS 28 2.154 3.239 -3.462 216 HA CYS 28 HA CYS 28 2.431 4.639 -0.957 217 1HB CYS 28 1HB CYS 28 2.676 2.409 -0.629 218 2HB CYS 28 2HB CYS 28 3.679 2.196 -2.010 219 HG CYS 28 HG CYS 28 4.341 3.026 1.075 220 H MET 29 H MET 29 3.074 6.771 -1.182 221 HA MET 29 HA MET 29 5.911 7.435 -1.589 222 1HB MET 29 1HB MET 29 3.465 8.880 -0.476 223 2HB MET 29 2HB MET 29 5.052 9.610 -0.279 224 1HG MET 29 1HG MET 29 5.261 9.178 -2.943 225 2HG MET 29 2HG MET 29 3.510 9.025 -2.870 226 1HE MET 29 1HE MET 29 2.239 10.862 -3.708 227 2HE MET 29 2HE MET 29 2.823 12.550 -3.856 228 3HE MET 29 3HE MET 29 3.685 11.227 -4.696 229 H LYS 30 H LYS 30 6.362 5.428 -0.174 230 HA LYS 30 HA LYS 30 7.338 6.323 2.487 231 1HB LYS 30 1HB LYS 30 5.998 3.620 1.842 232 2HB LYS 30 2HB LYS 30 6.706 4.052 3.379 233 1HG LYS 30 1HG LYS 30 4.318 4.313 3.623 234 2HG LYS 30 2HG LYS 30 5.078 5.883 3.748 235 1HD LYS 30 1HD LYS 30 4.396 6.299 1.266 236 2HD LYS 30 2HD LYS 30 3.623 4.753 1.257 237 1HE LYS 30 1HE LYS 30 2.461 7.257 1.938 238 2HE LYS 30 2HE LYS 30 1.657 5.727 2.118 239 1HZ LYS 30 1HZ LYS 30 3.450 7.012 4.152 240 2HZ LYS 30 2HZ LYS 30 2.697 5.608 4.386 241 H ALA 31 H ALA 31 10.407 5.333 0.919 242 HA ALA 31 HA ALA 31 8.750 7.490 2.104 243 1HB ALA 31 1HB ALA 31 10.173 7.950 4.111 244 2HB ALA 31 2HB ALA 31 9.454 6.339 4.242 245 3HB ALA 31 3HB ALA 31 11.170 6.524 3.799 Start of MODEL 4 1 1H ILE 1 1H ILE 1 8.861 3.007 6.772 2 2H ILE 1 2H ILE 1 9.174 4.547 6.332 3 HA ILE 1 HA ILE 1 8.704 4.148 4.082 4 HB ILE 1 HB ILE 1 10.650 2.761 5.419 5 1HG1 ILE 1 1HG1 ILE 1 11.424 4.663 3.252 6 2HG1 ILE 1 2HG1 ILE 1 10.556 5.311 4.630 7 1HG2 ILE 1 1HG2 ILE 1 11.946 2.025 3.317 8 2HG2 ILE 1 2HG2 ILE 1 10.471 1.092 3.584 9 3HG2 ILE 1 3HG2 ILE 1 10.477 2.400 2.381 10 1HD1 ILE 1 1HD1 ILE 1 13.003 5.353 5.108 11 2HD1 ILE 1 2HD1 ILE 1 12.157 4.277 6.253 12 3HD1 ILE 1 3HD1 ILE 1 13.093 3.574 4.915 13 H CYS 2 H CYS 2 8.736 2.070 2.484 14 HA CYS 2 HA CYS 2 6.920 -0.136 3.447 15 1HB CYS 2 2HB CYS 2 6.391 2.023 1.721 16 2HB CYS 2 1HB CYS 2 6.284 0.559 0.753 17 HG CYS 2 HG CYS 2 4.903 0.635 3.700 18 H GLU 3 H GLU 3 8.383 0.200 0.280 19 HA GLU 3 HA GLU 3 9.500 -1.387 -1.115 20 1HB GLU 3 1HB GLU 3 9.973 -2.799 1.603 21 2HB GLU 3 2HB GLU 3 10.555 -3.459 0.080 22 1HG GLU 3 2HG GLU 3 12.143 -1.561 -0.182 23 2HG GLU 3 1HG GLU 3 11.322 -0.613 1.054 24 HE2 GLU 3 HE2 GLU 3 12.833 -2.139 3.699 25 H GLU 4 H GLU 4 9.096 -3.148 -2.330 26 HA GLU 4 HA GLU 4 6.180 -3.280 -2.372 27 1HB GLU 4 1HB GLU 4 6.532 -3.827 -4.796 28 2HB GLU 4 2HB GLU 4 7.476 -2.455 -4.265 29 1HG GLU 4 1HG GLU 4 9.428 -4.387 -3.961 30 2HG GLU 4 2HG GLU 4 8.438 -5.237 -5.144 31 HE2 GLU 4 HE2 GLU 4 10.786 -2.249 -6.162 32 HA PRO 5 HA PRO 5 5.180 -7.439 -1.715 33 1HB PRO 5 1HB PRO 5 6.704 -9.198 -0.215 34 2HB PRO 5 2HB PRO 5 7.001 -9.029 -1.955 35 1HG PRO 5 1HG PRO 5 8.499 -7.641 0.336 36 2HG PRO 5 2HG PRO 5 9.208 -8.540 -1.022 37 1HD PRO 5 1HD PRO 5 8.860 -5.756 -0.927 38 2HD PRO 5 2HD PRO 5 8.985 -6.643 -2.486 39 H THR 6 H THR 6 5.925 -4.966 -0.263 40 HA THR 6 HA THR 6 4.614 -5.456 2.458 41 HB THR 6 HB THR 6 6.125 -2.888 1.999 42 HG1 THR 6 HG1 THR 6 7.283 -4.826 3.569 43 1HG2 THR 6 1HG2 THR 6 6.338 -3.244 4.615 44 2HG2 THR 6 2HG2 THR 6 4.737 -2.772 3.992 45 3HG2 THR 6 3HG2 THR 6 5.057 -4.460 4.433 46 H CYS 7 H CYS 7 4.692 -2.656 0.117 47 HA CYS 7 HA CYS 7 2.405 -2.167 -0.407 48 1HB CYS 7 1HB CYS 7 4.503 -2.424 -2.482 49 2HB CYS 7 2HB CYS 7 3.098 -1.402 -2.716 50 HG CYS 7 HG CYS 7 5.169 0.087 -2.425 51 H ARG 8 H ARG 8 3.153 -4.616 -1.669 52 HA ARG 8 HA ARG 8 0.655 -5.247 -3.322 53 1HB ARG 8 1HB ARG 8 1.820 -6.615 -4.473 54 2HB ARG 8 2HB ARG 8 3.290 -6.407 -3.554 55 1HG ARG 8 2HG ARG 8 2.849 -8.332 -2.155 56 2HG ARG 8 1HG ARG 8 1.155 -8.414 -2.600 57 1HD ARG 8 1HD ARG 8 1.748 -9.185 -4.902 58 2HD ARG 8 2HD ARG 8 3.484 -8.967 -4.544 59 1HH1 ARG 8 1HH1 ARG 8 1.054 -10.737 -5.456 60 2HH1 ARG 8 2HH1 ARG 8 0.582 -12.497 -5.180 61 1HH2 ARG 8 1HH2 ARG 8 2.455 -12.587 -2.365 62 2HH2 ARG 8 2HH2 ARG 8 1.315 -13.493 -3.510 63 H ASN 9 H ASN 9 2.193 -6.251 -0.562 64 HA ASN 9 HA ASN 9 -0.029 -7.115 1.191 65 1HB ASN 9 2HB ASN 9 2.848 -6.300 1.624 66 2HB ASN 9 1HB ASN 9 1.686 -6.401 2.961 67 1HD2 ASN 9 2HD2 ASN 9 2.914 -8.122 3.816 68 2HD2 ASN 9 1HD2 ASN 9 2.752 -9.784 3.046 69 H ARG 10 H ARG 10 1.097 -3.855 0.359 70 HA ARG 10 HA ARG 10 -1.140 -2.517 1.674 71 1HB ARG 10 2HB ARG 10 1.372 -1.073 0.733 72 2HB ARG 10 1HB ARG 10 -0.003 -0.574 1.753 73 1HG ARG 10 2HG ARG 10 1.101 -2.642 3.270 74 2HG ARG 10 1HG ARG 10 2.549 -1.976 2.534 75 1HD ARG 10 1HD ARG 10 1.733 0.329 3.361 76 2HD ARG 10 2HD ARG 10 0.527 -0.552 4.313 77 1HH1 ARG 10 1HH1 ARG 10 1.235 1.073 5.681 78 2HH1 ARG 10 2HH1 ARG 10 1.961 1.084 7.375 79 1HH2 ARG 10 1HH2 ARG 10 4.304 -1.150 6.359 80 2HH2 ARG 10 2HH2 ARG 10 3.696 -0.047 7.717 81 H THR 11 H THR 11 -0.842 -3.447 -0.786 82 HA THR 11 HA THR 11 -2.313 -1.692 -2.297 83 HB THR 11 HB THR 11 -0.774 -4.006 -2.657 84 HG1 THR 11 HG1 THR 11 -0.413 -1.763 -3.590 85 1HG2 THR 11 1HG2 THR 11 -2.183 -4.509 -5.170 86 2HG2 THR 11 2HG2 THR 11 -3.197 -4.704 -3.708 87 3HG2 THR 11 3HG2 THR 11 -3.179 -3.230 -4.613 88 H ARG 12 H ARG 12 -2.161 -4.641 -1.028 89 HA ARG 12 HA ARG 12 -4.694 -5.625 -0.471 90 1HB ARG 12 2HB ARG 12 -3.109 -7.206 -0.468 91 2HB ARG 12 1HB ARG 12 -2.162 -5.847 0.060 92 1HG ARG 12 2HG ARG 12 -3.722 -6.447 2.394 93 2HG ARG 12 1HG ARG 12 -3.804 -8.030 1.650 94 1HD ARG 12 1HD ARG 12 -1.022 -7.442 1.846 95 2HD ARG 12 2HD ARG 12 -1.711 -6.917 3.364 96 1HH1 ARG 12 1HH1 ARG 12 -1.884 -7.676 5.001 97 2HH1 ARG 12 2HH1 ARG 12 -1.623 -9.123 6.112 98 1HH2 ARG 12 1HH2 ARG 12 -1.621 -11.202 3.446 99 2HH2 ARG 12 2HH2 ARG 12 -1.611 -11.038 5.291 100 H HIS 13 H HIS 13 -2.870 -4.511 2.095 101 HA HIS 13 HA HIS 13 -4.778 -2.589 3.021 102 1HB HIS 13 1HB HIS 13 -1.688 -2.420 3.432 103 2HB HIS 13 2HB HIS 13 -2.809 -1.458 4.350 104 HD2 HIS 13 HD2 HIS 13 -3.488 -5.264 4.056 105 HE1 HIS 13 HE1 HIS 13 -1.879 -4.646 7.846 106 HE2 HIS 13 HE2 HIS 13 -2.913 -6.468 6.330 107 H LEU 14 H LEU 14 -3.656 -2.305 0.586 108 HA LEU 14 HA LEU 14 -4.914 0.044 0.304 109 1HB LEU 14 1HB LEU 14 -3.471 0.018 -1.614 110 2HB LEU 14 2HB LEU 14 -4.062 -1.570 -1.952 111 HG LEU 14 HG LEU 14 -6.325 -0.547 -2.222 112 1HD1 LEU 14 1HD1 LEU 14 -4.472 1.713 -3.096 113 2HD1 LEU 14 2HD1 LEU 14 -6.231 1.615 -3.508 114 3HD1 LEU 14 3HD1 LEU 14 -5.732 1.744 -1.810 115 1HD2 LEU 14 1HD2 LEU 14 -4.162 -0.562 -4.354 116 2HD2 LEU 14 2HD2 LEU 14 -5.393 -1.843 -4.019 117 3HD2 LEU 14 3HD2 LEU 14 -5.933 -0.322 -4.693 118 HA PRO 15 HA PRO 15 -8.964 -1.577 0.237 119 1HB PRO 15 1HB PRO 15 -7.848 -4.420 0.862 120 2HB PRO 15 2HB PRO 15 -9.612 -4.074 0.610 121 1HG PRO 15 1HG PRO 15 -8.381 -4.880 -1.685 122 2HG PRO 15 2HG PRO 15 -9.087 -3.238 -1.780 123 1HD PRO 15 1HD PRO 15 -6.236 -4.056 -1.067 124 2HD PRO 15 2HD PRO 15 -6.769 -2.771 -2.272 125 H LEU 16 H LEU 16 -6.627 -1.722 1.932 126 HA LEU 16 HA LEU 16 -8.030 -1.479 4.332 127 1HB LEU 16 1HB LEU 16 -5.168 -1.934 4.036 128 2HB LEU 16 2HB LEU 16 -5.405 -0.454 4.936 129 HG LEU 16 HG LEU 16 -7.091 -1.953 6.400 130 1HD1 LEU 16 1HD1 LEU 16 -6.215 -4.318 6.678 131 2HD1 LEU 16 2HD1 LEU 16 -6.836 -4.082 5.037 132 3HD1 LEU 16 3HD1 LEU 16 -5.083 -4.071 5.325 133 1HD2 LEU 16 1HD2 LEU 16 -4.996 -0.882 7.292 134 2HD2 LEU 16 2HD2 LEU 16 -5.192 -2.513 7.971 135 3HD2 LEU 16 3HD2 LEU 16 -4.026 -2.225 6.654 136 H GLN 17 H GLN 17 -9.113 -0.153 2.703 137 HA GLN 17 HA GLN 17 -7.927 2.577 2.110 138 1HB GLN 17 1HB GLN 17 -8.989 2.500 0.088 139 2HB GLN 17 2HB GLN 17 -8.669 0.811 0.349 140 1HG GLN 17 1HG GLN 17 -11.184 0.651 1.242 141 2HG GLN 17 2HG GLN 17 -11.421 2.222 0.509 142 1HE2 GLN 17 2HE2 GLN 17 -9.222 -0.098 -0.923 143 2HE2 GLN 17 1HE2 GLN 17 -10.344 -0.488 -2.341 144 H PHE 18 H PHE 18 -8.286 3.448 3.987 145 HA PHE 18 HA PHE 18 -10.315 5.627 3.967 146 1HB PHE 18 1HB PHE 18 -7.503 4.961 4.995 147 2HB PHE 18 2HB PHE 18 -7.651 6.623 4.511 148 HD1 PHE 18 HD1 PHE 18 -7.904 8.174 6.002 149 HD2 PHE 18 HD2 PHE 18 -9.623 4.311 6.764 150 HE1 PHE 18 HE1 PHE 18 -8.765 9.001 8.042 151 HE2 PHE 18 HE2 PHE 18 -10.506 5.086 8.824 152 HZ PHE 18 HZ PHE 18 -9.999 7.448 9.651 153 H SER 19 H SER 19 -7.640 4.608 2.219 154 HA SER 19 HA SER 19 -7.459 6.751 0.047 155 1HB SER 19 1HB SER 19 -5.256 5.102 -0.023 156 2HB SER 19 2HB SER 19 -5.487 6.807 0.334 157 HG SER 19 HG SER 19 -5.707 4.801 2.332 158 H ARG 20 H ARG 20 -8.256 6.333 -1.782 159 HA ARG 20 HA ARG 20 -7.894 3.638 -3.055 160 1HB ARG 20 1HB ARG 20 -10.224 5.244 -3.234 161 2HB ARG 20 2HB ARG 20 -9.541 5.202 -4.855 162 1HG ARG 20 2HG ARG 20 -10.588 2.802 -3.241 163 2HG ARG 20 1HG ARG 20 -11.129 3.369 -4.825 164 1HD ARG 20 1HD ARG 20 -8.985 2.664 -5.878 165 2HD ARG 20 2HD ARG 20 -8.321 2.213 -4.313 166 1HH1 ARG 20 1HH1 ARG 20 -9.419 1.746 -7.306 167 2HH1 ARG 20 2HH1 ARG 20 -10.112 0.270 -8.164 168 1HH2 ARG 20 1HH2 ARG 20 -10.974 -1.086 -5.186 169 2HH2 ARG 20 2HH2 ARG 20 -11.024 -1.221 -7.033 170 H THR 21 H THR 21 -5.787 3.713 -3.448 171 HA THR 21 HA THR 21 -3.812 4.794 -3.493 172 HB THR 21 HB THR 21 -3.172 5.573 -5.495 173 HG1 THR 21 HG1 THR 21 -4.281 6.791 -6.917 174 1HG2 THR 21 1HG2 THR 21 -6.066 4.385 -6.220 175 2HG2 THR 21 2HG2 THR 21 -4.635 4.269 -7.270 176 3HG2 THR 21 3HG2 THR 21 -4.714 3.331 -5.754 177 H GLY 22 H GLY 22 -5.434 6.019 -1.694 178 1HA GLY 22 1HA GLY 22 -4.375 8.817 -1.407 179 2HA GLY 22 2HA GLY 22 -5.477 8.001 -0.349 180 HA PRO 23 HA PRO 23 -2.482 6.255 -1.926 181 1HB PRO 23 1HB PRO 23 0.158 6.156 -1.813 182 2HB PRO 23 2HB PRO 23 -0.624 7.703 -1.547 183 1HG PRO 23 1HG PRO 23 0.472 5.695 0.570 184 2HG PRO 23 2HG PRO 23 0.830 7.436 0.479 185 1HD PRO 23 2HD PRO 23 -1.230 6.152 1.894 186 2HD PRO 23 1HD PRO 23 -1.182 7.947 1.652 187 H LEU 24 H LEU 24 -3.141 3.900 -2.239 188 HA LEU 24 HA LEU 24 -1.013 2.108 -1.292 189 1HB LEU 24 1HB LEU 24 -3.400 0.631 -0.740 190 2HB LEU 24 2HB LEU 24 -2.276 1.033 0.365 191 HG LEU 24 HG LEU 24 -4.648 1.797 0.872 192 1HD1 LEU 24 1HD2 LEU 24 -4.204 3.993 1.889 193 2HD1 LEU 24 2HD2 LEU 24 -2.691 3.072 1.983 194 3HD1 LEU 24 3HD2 LEU 24 -2.904 4.351 0.819 195 1HD2 LEU 24 1HD1 LEU 24 -4.199 3.989 -1.276 196 2HD2 LEU 24 2HD1 LEU 24 -5.367 2.631 -1.387 197 3HD2 LEU 24 3HD1 LEU 24 -5.600 3.912 -0.185 198 H CYS 25 H CYS 25 -1.005 -0.304 -2.260 199 HA CYS 25 HA CYS 25 0.557 1.597 -2.043 200 1HB CYS 25 1HB CYS 25 0.470 -0.413 -0.907 201 2HB CYS 25 2HB CYS 25 2.071 -0.207 -1.691 202 HG CYS 25 HG CYS 25 0.329 1.583 0.101 203 HA PRO 26 HA PRO 26 2.740 2.217 -5.478 204 1HB PRO 26 1HB PRO 26 1.820 1.864 -7.983 205 2HB PRO 26 2HB PRO 26 2.355 0.388 -7.145 206 1HG PRO 26 1HG PRO 26 -0.486 1.497 -7.413 207 2HG PRO 26 2HG PRO 26 0.113 -0.177 -7.645 208 1HD PRO 26 2HD PRO 26 -0.973 0.879 -5.157 209 2HD PRO 26 1HD PRO 26 -0.146 -0.700 -5.444 210 H ALA 27 H ALA 27 -0.017 2.859 -4.039 211 HA ALA 27 HA ALA 27 0.176 5.741 -5.130 212 1HB ALA 27 1HB ALA 27 -2.080 5.046 -4.476 213 2HB ALA 27 2HB ALA 27 -1.503 4.427 -2.922 214 3HB ALA 27 3HB ALA 27 -1.454 6.177 -3.247 215 H CYS 28 H CYS 28 2.006 3.482 -3.532 216 HA CYS 28 HA CYS 28 2.401 4.871 -1.038 217 1HB CYS 28 1HB CYS 28 2.657 2.638 -0.730 218 2HB CYS 28 2HB CYS 28 3.606 2.431 -2.150 219 HG CYS 28 HG CYS 28 5.726 2.373 -0.972 220 H MET 29 H MET 29 3.055 7.033 -1.322 221 HA MET 29 HA MET 29 5.946 7.576 -1.625 222 1HB MET 29 1HB MET 29 3.509 9.135 -0.651 223 2HB MET 29 2HB MET 29 5.116 9.797 -0.390 224 1HG MET 29 1HG MET 29 5.505 10.105 -2.738 225 2HG MET 29 2HG MET 29 4.385 8.832 -3.209 226 1HE MET 29 1HE MET 29 3.329 11.789 -0.471 227 2HE MET 29 2HE MET 29 4.767 12.227 -1.445 228 3HE MET 29 3HE MET 29 3.213 13.069 -1.715 229 H LYS 30 H LYS 30 6.334 5.593 -0.166 230 HA LYS 30 HA LYS 30 7.057 6.473 2.553 231 1HB LYS 30 1HB LYS 30 6.841 3.630 1.377 232 2HB LYS 30 2HB LYS 30 7.382 3.979 3.001 233 1HG LYS 30 1HG LYS 30 4.805 3.350 2.498 234 2HG LYS 30 2HG LYS 30 5.321 4.312 3.864 235 1HD LYS 30 1HD LYS 30 4.607 6.403 2.748 236 2HD LYS 30 2HD LYS 30 4.548 5.646 1.194 237 1HE LYS 30 1HE LYS 30 2.314 6.210 2.597 238 2HE LYS 30 2HE LYS 30 2.316 4.817 1.558 239 1HZ LYS 30 1HZ LYS 30 1.966 3.593 3.398 240 2HZ LYS 30 2HZ LYS 30 1.918 4.925 4.302 241 H ALA 31 H ALA 31 8.669 5.162 -0.242 242 HA ALA 31 HA ALA 31 11.302 6.166 0.767 243 1HB ALA 31 1HB ALA 31 12.585 4.075 0.246 244 2HB ALA 31 2HB ALA 31 11.400 3.758 1.521 245 3HB ALA 31 3HB ALA 31 11.099 3.199 -0.144 Start of MODEL 5 1 1H ILE 1 1H ILE 1 10.704 2.530 4.510 2 2H ILE 1 2H ILE 1 10.759 2.534 6.141 3 HA ILE 1 HA ILE 1 8.710 1.446 6.356 4 HB ILE 1 HB ILE 1 9.012 3.870 5.149 5 1HG1 ILE 1 1HG1 ILE 1 7.308 3.528 7.594 6 2HG1 ILE 1 2HG1 ILE 1 9.037 3.252 7.682 7 1HG2 ILE 1 1HG2 ILE 1 6.502 4.512 5.106 8 2HG2 ILE 1 2HG2 ILE 1 6.914 3.335 3.856 9 3HG2 ILE 1 3HG2 ILE 1 6.125 2.788 5.352 10 1HD1 ILE 1 1HD1 ILE 1 8.565 5.654 8.155 11 2HD1 ILE 1 2HD1 ILE 1 9.548 5.486 6.676 12 3HD1 ILE 1 3HD1 ILE 1 7.811 5.847 6.541 13 H CYS 2 H CYS 2 7.946 2.415 3.101 14 HA CYS 2 HA CYS 2 7.415 -0.347 2.273 15 1HB CYS 2 2HB CYS 2 6.685 2.381 1.343 16 2HB CYS 2 1HB CYS 2 6.374 1.018 0.281 17 HG CYS 2 HG CYS 2 4.166 1.601 1.392 18 H GLU 3 H GLU 3 8.001 -1.614 0.551 19 HA GLU 3 HA GLU 3 9.560 -0.530 -1.784 20 1HB GLU 3 1HB GLU 3 10.911 -0.786 0.560 21 2HB GLU 3 2HB GLU 3 11.004 -2.482 0.105 22 1HG GLU 3 2HG GLU 3 12.227 -1.795 -2.041 23 2HG GLU 3 1HG GLU 3 12.020 -0.097 -1.619 24 HE2 GLU 3 HE2 GLU 3 15.308 -1.244 -0.668 25 H GLU 4 H GLU 4 7.539 -1.648 -2.510 26 HA GLU 4 HA GLU 4 6.231 -3.568 -2.993 27 1HB GLU 4 1HB GLU 4 7.244 -4.858 -5.015 28 2HB GLU 4 2HB GLU 4 6.933 -3.148 -5.209 29 1HG GLU 4 1HG GLU 4 9.290 -2.595 -5.283 30 2HG GLU 4 2HG GLU 4 9.771 -4.024 -4.373 31 HE2 GLU 4 HE2 GLU 4 10.851 -5.073 -7.430 32 HA PRO 5 HA PRO 5 5.351 -7.404 -1.935 33 1HB PRO 5 1HB PRO 5 8.318 -8.383 -1.933 34 2HB PRO 5 2HB PRO 5 6.841 -9.362 -1.960 35 1HG PRO 5 1HG PRO 5 8.134 -8.456 -4.286 36 2HG PRO 5 2HG PRO 5 6.434 -8.969 -4.253 37 1HD PRO 5 1HD PRO 5 7.453 -6.344 -4.813 38 2HD PRO 5 2HD PRO 5 5.713 -6.698 -4.478 39 H THR 6 H THR 6 5.767 -5.187 -0.853 40 HA THR 6 HA THR 6 5.119 -5.918 1.980 41 HB THR 6 HB THR 6 7.045 -3.649 1.506 42 HG1 THR 6 HG1 THR 6 7.837 -4.462 3.402 43 1HG2 THR 6 1HG2 THR 6 4.659 -3.643 3.427 44 2HG2 THR 6 2HG2 THR 6 6.223 -3.033 4.021 45 3HG2 THR 6 3HG2 THR 6 5.444 -2.270 2.622 46 H CYS 7 H CYS 7 4.855 -2.863 0.036 47 HA CYS 7 HA CYS 7 2.522 -2.399 -0.240 48 1HB CYS 7 2HB CYS 7 4.114 -2.375 -2.739 49 2HB CYS 7 1HB CYS 7 2.950 -1.144 -2.296 50 HG CYS 7 HG CYS 7 5.661 -0.541 -2.437 51 H ARG 8 H ARG 8 3.224 -4.681 -1.813 52 HA ARG 8 HA ARG 8 0.580 -5.215 -3.267 53 1HB ARG 8 1HB ARG 8 1.710 -6.435 -4.627 54 2HB ARG 8 2HB ARG 8 3.205 -6.397 -3.728 55 1HG ARG 8 2HG ARG 8 2.625 -8.436 -2.481 56 2HG ARG 8 1HG ARG 8 0.976 -8.441 -3.078 57 1HD ARG 8 1HD ARG 8 1.710 -9.026 -5.356 58 2HD ARG 8 2HD ARG 8 3.420 -8.736 -4.929 59 1HH1 ARG 8 1HH1 ARG 8 0.310 -10.279 -5.037 60 2HH1 ARG 8 2HH1 ARG 8 -0.147 -12.052 -4.825 61 1HH2 ARG 8 1HH2 ARG 8 2.868 -12.690 -3.431 62 2HH2 ARG 8 2HH2 ARG 8 1.203 -13.344 -3.913 63 H ASN 9 H ASN 9 2.276 -6.414 -0.662 64 HA ASN 9 HA ASN 9 0.079 -7.398 1.056 65 1HB ASN 9 1HB ASN 9 1.996 -8.203 1.864 66 2HB ASN 9 2HB ASN 9 2.978 -6.875 1.310 67 1HD2 ASN 9 2HD2 ASN 9 0.211 -7.027 3.600 68 2HD2 ASN 9 1HD2 ASN 9 1.210 -6.284 4.953 69 H ARG 10 H ARG 10 1.278 -4.139 0.507 70 HA ARG 10 HA ARG 10 -0.925 -2.713 1.851 71 1HB ARG 10 2HB ARG 10 1.480 -1.166 0.880 72 2HB ARG 10 1HB ARG 10 0.378 -0.953 2.242 73 1HG ARG 10 1HG ARG 10 1.806 -3.219 3.080 74 2HG ARG 10 2HG ARG 10 3.023 -2.395 2.123 75 1HD ARG 10 1HD ARG 10 3.153 -0.582 3.547 76 2HD ARG 10 2HD ARG 10 1.497 -0.767 4.148 77 1HH1 ARG 10 1HH1 ARG 10 3.762 0.213 5.337 78 2HH1 ARG 10 2HH1 ARG 10 4.502 -0.103 6.995 79 1HH2 ARG 10 1HH2 ARG 10 3.227 -3.233 6.994 80 2HH2 ARG 10 2HH2 ARG 10 4.263 -1.974 7.872 81 H THR 11 H THR 11 -0.811 -3.448 -0.640 82 HA THR 11 HA THR 11 -2.269 -1.787 -2.169 83 HB THR 11 HB THR 11 -0.746 -4.127 -2.471 84 HG1 THR 11 HG1 THR 11 -0.604 -3.038 -4.863 85 1HG2 THR 11 1HG2 THR 11 -2.185 -4.579 -4.996 86 2HG2 THR 11 2HG2 THR 11 -3.194 -4.721 -3.524 87 3HG2 THR 11 3HG2 THR 11 -3.108 -3.250 -4.430 88 H ARG 12 H ARG 12 -2.014 -4.714 -0.875 89 HA ARG 12 HA ARG 12 -4.529 -5.657 -0.010 90 1HB ARG 12 2HB ARG 12 -2.890 -7.171 -0.306 91 2HB ARG 12 1HB ARG 12 -1.960 -5.877 0.334 92 1HG ARG 12 2HG ARG 12 -3.586 -8.114 1.799 93 2HG ARG 12 1HG ARG 12 -1.861 -7.908 2.048 94 1HD ARG 12 1HD ARG 12 -2.217 -5.935 3.402 95 2HD ARG 12 2HD ARG 12 -3.904 -5.797 2.969 96 1HH1 ARG 12 1HH1 ARG 12 -5.524 -6.198 3.750 97 2HH1 ARG 12 2HH1 ARG 12 -6.480 -6.898 5.162 98 1HH2 ARG 12 1HH2 ARG 12 -3.961 -9.079 5.782 99 2HH2 ARG 12 2HH2 ARG 12 -5.672 -8.516 6.212 100 H HIS 13 H HIS 13 -2.422 -4.317 2.272 101 HA HIS 13 HA HIS 13 -4.373 -2.447 3.287 102 1HB HIS 13 1HB HIS 13 -1.252 -2.159 3.403 103 2HB HIS 13 2HB HIS 13 -2.315 -1.094 4.275 104 HD2 HIS 13 HD2 HIS 13 -1.745 -5.006 4.400 105 HE1 HIS 13 HE1 HIS 13 -1.589 -3.509 8.281 106 HE2 HIS 13 HE2 HIS 13 -1.313 -5.683 6.911 107 H LEU 14 H LEU 14 -3.442 -2.268 0.755 108 HA LEU 14 HA LEU 14 -4.849 -0.008 0.411 109 1HB LEU 14 1HB LEU 14 -3.531 0.024 -1.560 110 2HB LEU 14 2HB LEU 14 -3.894 -1.653 -1.772 111 HG LEU 14 HG LEU 14 -6.307 -0.894 -2.008 112 1HD1 LEU 14 1HD1 LEU 14 -4.678 1.350 -3.284 113 2HD1 LEU 14 2HD1 LEU 14 -6.439 1.064 -3.588 114 3HD1 LEU 14 3HD1 LEU 14 -5.886 1.477 -1.953 115 1HD2 LEU 14 1HD2 LEU 14 -4.228 -1.053 -4.213 116 2HD2 LEU 14 2HD2 LEU 14 -5.343 -2.356 -3.641 117 3HD2 LEU 14 3HD2 LEU 14 -6.023 -0.993 -4.498 118 HA PRO 15 HA PRO 15 -8.766 -2.025 0.649 119 1HB PRO 15 1HB PRO 15 -7.307 -4.672 1.436 120 2HB PRO 15 2HB PRO 15 -9.108 -4.550 1.246 121 1HG PRO 15 1HG PRO 15 -7.880 -5.410 -1.032 122 2HG PRO 15 2HG PRO 15 -8.798 -3.887 -1.228 123 1HD PRO 15 1HD PRO 15 -5.826 -4.271 -0.655 124 2HD PRO 15 2HD PRO 15 -6.601 -3.146 -1.888 125 H LEU 16 H LEU 16 -6.315 -1.809 2.209 126 HA LEU 16 HA LEU 16 -7.678 -1.412 4.650 127 1HB LEU 16 1HB LEU 16 -4.938 -2.060 4.504 128 2HB LEU 16 2HB LEU 16 -4.914 -0.336 4.792 129 HG LEU 16 HG LEU 16 -6.762 -1.725 6.658 130 1HD1 LEU 16 1HD2 LEU 16 -3.769 -2.464 6.738 131 2HD1 LEU 16 2HD2 LEU 16 -4.907 -2.778 8.067 132 3HD1 LEU 16 3HD2 LEU 16 -5.123 -3.586 6.492 133 1HD2 LEU 16 1HD1 LEU 16 -5.363 -0.465 8.401 134 2HD2 LEU 16 2HD1 LEU 16 -4.240 0.048 7.131 135 3HD2 LEU 16 3HD1 LEU 16 -5.923 0.620 7.103 136 H GLN 17 H GLN 17 -8.840 -0.314 2.922 137 HA GLN 17 HA GLN 17 -7.830 2.405 2.024 138 1HB GLN 17 1HB GLN 17 -9.088 2.151 0.136 139 2HB GLN 17 2HB GLN 17 -8.703 0.491 0.481 140 1HG GLN 17 1HG GLN 17 -11.120 0.443 1.701 141 2HG GLN 17 2HG GLN 17 -11.446 1.875 0.753 142 1HE2 GLN 17 2HE2 GLN 17 -12.036 1.605 -1.327 143 2HE2 GLN 17 1HE2 GLN 17 -12.024 -0.034 -2.177 144 H PHE 18 H PHE 18 -8.028 3.322 3.925 145 HA PHE 18 HA PHE 18 -10.073 5.484 4.021 146 1HB PHE 18 1HB PHE 18 -7.108 4.936 4.712 147 2HB PHE 18 2HB PHE 18 -7.472 6.598 4.356 148 HD1 PHE 18 HD1 PHE 18 -8.298 8.090 5.896 149 HD2 PHE 18 HD2 PHE 18 -8.298 3.882 6.766 150 HE1 PHE 18 HE1 PHE 18 -8.927 8.586 8.121 151 HE2 PHE 18 HE2 PHE 18 -8.925 4.323 9.012 152 HZ PHE 18 HZ PHE 18 -9.107 6.724 9.861 153 H SER 19 H SER 19 -7.547 4.439 2.079 154 HA SER 19 HA SER 19 -7.569 6.533 -0.146 155 1HB SER 19 1HB SER 19 -5.325 4.957 -0.333 156 2HB SER 19 2HB SER 19 -5.585 6.658 0.026 157 HG SER 19 HG SER 19 -5.307 6.410 2.083 158 H ARG 20 H ARG 20 -8.450 6.033 -1.928 159 HA ARG 20 HA ARG 20 -8.059 3.319 -3.145 160 1HB ARG 20 2HB ARG 20 -10.616 4.052 -3.069 161 2HB ARG 20 1HB ARG 20 -10.057 5.222 -4.245 162 1HG ARG 20 1HG ARG 20 -11.186 3.178 -5.305 163 2HG ARG 20 2HG ARG 20 -9.549 3.450 -5.898 164 1HD ARG 20 1HD ARG 20 -8.749 1.714 -4.120 165 2HD ARG 20 2HD ARG 20 -10.447 1.331 -3.868 166 1HH1 ARG 20 1HH1 ARG 20 -7.494 1.975 -5.728 167 2HH1 ARG 20 2HH1 ARG 20 -6.877 1.249 -7.307 168 1HH2 ARG 20 1HH2 ARG 20 -9.588 -0.776 -7.438 169 2HH2 ARG 20 2HH2 ARG 20 -7.987 -0.266 -8.218 170 H THR 21 H THR 21 -5.974 3.561 -3.587 171 HA THR 21 HA THR 21 -4.081 4.699 -3.896 172 HB THR 21 HB THR 21 -3.658 5.478 -5.950 173 HG1 THR 21 HG1 THR 21 -4.922 6.670 -7.260 174 1HG2 THR 21 1HG2 THR 21 -6.578 4.220 -6.405 175 2HG2 THR 21 2HG2 THR 21 -5.248 4.138 -7.584 176 3HG2 THR 21 3HG2 THR 21 -5.163 3.200 -6.068 177 H GLY 22 H GLY 22 -5.628 5.860 -1.991 178 1HA GLY 22 1HA GLY 22 -4.722 8.720 -1.790 179 2HA GLY 22 2HA GLY 22 -5.733 7.862 -0.677 180 HA PRO 23 HA PRO 23 -2.745 6.085 -2.243 181 1HB PRO 23 1HB PRO 23 -0.114 6.157 -2.254 182 2HB PRO 23 2HB PRO 23 -0.960 7.677 -2.033 183 1HG PRO 23 1HG PRO 23 0.322 5.842 0.136 184 2HG PRO 23 2HG PRO 23 0.606 7.586 -0.070 185 1HD PRO 23 1HD PRO 23 -1.441 6.435 1.604 186 2HD PRO 23 2HD PRO 23 -1.261 8.141 1.020 187 H LEU 24 H LEU 24 -3.484 3.673 -2.003 188 HA LEU 24 HA LEU 24 -1.067 2.103 -1.375 189 1HB LEU 24 1HB LEU 24 -3.926 1.542 -0.480 190 2HB LEU 24 2HB LEU 24 -2.862 0.317 -0.355 191 HG LEU 24 HG LEU 24 -2.969 1.242 1.839 192 1HD1 LEU 24 1HD2 LEU 24 -0.788 2.156 2.523 193 2HD1 LEU 24 2HD2 LEU 24 -0.474 1.045 1.177 194 3HD1 LEU 24 3HD2 LEU 24 -0.428 2.773 0.957 195 1HD2 LEU 24 1HD1 LEU 24 -2.530 4.102 0.718 196 2HD2 LEU 24 2HD1 LEU 24 -4.090 3.427 1.294 197 3HD2 LEU 24 3HD1 LEU 24 -2.764 3.711 2.436 198 H CYS 25 H CYS 25 -1.043 -0.336 -2.227 199 HA CYS 25 HA CYS 25 0.490 1.514 -2.041 200 1HB CYS 25 2HB CYS 25 -0.012 -0.268 -0.702 201 2HB CYS 25 1HB CYS 25 1.413 -0.539 -1.563 202 HG CYS 25 HG CYS 25 0.836 1.941 -0.224 203 HA PRO 26 HA PRO 26 2.807 1.970 -5.363 204 1HB PRO 26 1HB PRO 26 2.061 1.484 -7.895 205 2HB PRO 26 2HB PRO 26 2.533 0.049 -6.955 206 1HG PRO 26 1HG PRO 26 -0.283 1.160 -7.432 207 2HG PRO 26 2HG PRO 26 0.319 -0.522 -7.592 208 1HD PRO 26 2HD PRO 26 -0.902 0.571 -5.197 209 2HD PRO 26 1HD PRO 26 -0.019 -0.992 -5.399 210 H ALA 27 H ALA 27 -0.042 2.595 -4.148 211 HA ALA 27 HA ALA 27 0.024 5.440 -5.337 212 1HB ALA 27 1HB ALA 27 -2.185 4.618 -4.660 213 2HB ALA 27 2HB ALA 27 -1.574 4.101 -3.083 214 3HB ALA 27 3HB ALA 27 -1.642 5.836 -3.476 215 H CYS 28 H CYS 28 1.931 3.346 -3.568 216 HA CYS 28 HA CYS 28 2.129 4.825 -1.117 217 1HB CYS 28 1HB CYS 28 2.761 2.876 -0.383 218 2HB CYS 28 2HB CYS 28 3.045 2.347 -1.995 219 HG CYS 28 HG CYS 28 5.483 2.229 -1.875 220 H MET 29 H MET 29 2.968 6.555 -0.454 221 HA MET 29 HA MET 29 5.524 7.696 -1.651 222 1HB MET 29 1HB MET 29 3.252 9.041 -1.982 223 2HB MET 29 2HB MET 29 3.456 9.488 -0.295 224 1HG MET 29 1HG MET 29 5.408 10.807 -0.753 225 2HG MET 29 2HG MET 29 5.821 9.904 -2.205 226 1HE MET 29 1HE MET 29 6.095 12.812 -2.153 227 2HE MET 29 2HE MET 29 6.088 12.243 -3.852 228 3HE MET 29 3HE MET 29 5.062 13.625 -3.366 229 H LYS 30 H LYS 30 5.937 5.857 -0.014 230 HA LYS 30 HA LYS 30 6.422 6.876 2.707 231 1HB LYS 30 1HB LYS 30 6.545 3.912 1.896 232 2HB LYS 30 2HB LYS 30 6.343 4.598 3.490 233 1HG LYS 30 1HG LYS 30 4.241 3.983 1.506 234 2HG LYS 30 2HG LYS 30 4.160 4.104 3.250 235 1HD LYS 30 1HD LYS 30 4.010 6.665 3.013 236 2HD LYS 30 2HD LYS 30 4.160 6.511 1.298 237 1HE LYS 30 1HE LYS 30 1.763 6.748 2.638 238 2HE LYS 30 2HE LYS 30 1.839 6.045 1.051 239 1HZ LYS 30 1HZ LYS 30 1.579 3.936 1.951 240 2HZ LYS 30 2HZ LYS 30 0.740 4.792 3.026 241 H ALA 31 H ALA 31 8.453 4.191 1.791 242 HA ALA 31 HA ALA 31 10.852 5.974 2.478 243 1HB ALA 31 1HB ALA 31 11.890 4.021 3.661 244 2HB ALA 31 2HB ALA 31 10.363 4.458 4.438 245 3HB ALA 31 3HB ALA 31 10.456 3.025 3.384 Start of MODEL 6 1 1H ILE 1 1H ILE 1 9.202 4.201 6.041 2 2H ILE 1 2H ILE 1 9.395 5.498 5.070 3 HA ILE 1 HA ILE 1 9.015 4.233 3.119 4 HB ILE 1 HB ILE 1 10.973 3.023 4.686 5 1HG1 ILE 1 1HG1 ILE 1 12.212 5.097 3.073 6 2HG1 ILE 1 2HG1 ILE 1 10.947 5.771 4.082 7 1HG2 ILE 1 1HG2 ILE 1 12.338 2.725 2.508 8 2HG2 ILE 1 2HG2 ILE 1 10.843 1.785 2.526 9 3HG2 ILE 1 3HG2 ILE 1 10.905 3.319 1.630 10 1HD1 ILE 1 1HD1 ILE 1 13.080 5.715 5.371 11 2HD1 ILE 1 2HD1 ILE 1 11.855 4.667 6.137 12 3HD1 ILE 1 3HD1 ILE 1 13.169 3.935 5.188 13 H CYS 2 H CYS 2 8.808 2.183 2.101 14 HA CYS 2 HA CYS 2 7.154 0.151 3.579 15 1HB CYS 2 2HB CYS 2 6.423 2.134 1.830 16 2HB CYS 2 1HB CYS 2 6.340 0.682 0.835 17 HG CYS 2 HG CYS 2 4.013 1.535 1.950 18 H GLU 3 H GLU 3 8.666 0.108 0.405 19 HA GLU 3 HA GLU 3 9.721 -1.641 -0.816 20 1HB GLU 3 1HB GLU 3 10.860 -1.951 1.611 21 2HB GLU 3 2HB GLU 3 9.828 -3.369 1.732 22 1HG GLU 3 2HG GLU 3 10.971 -4.032 -0.641 23 2HG GLU 3 1HG GLU 3 12.154 -2.797 -0.219 24 HE2 GLU 3 HE2 GLU 3 13.748 -5.541 1.069 25 H GLU 4 H GLU 4 9.182 -3.267 -2.072 26 HA GLU 4 HA GLU 4 6.257 -3.339 -2.094 27 1HB GLU 4 1HB GLU 4 6.589 -3.787 -4.545 28 2HB GLU 4 2HB GLU 4 7.549 -2.447 -3.962 29 1HG GLU 4 1HG GLU 4 9.619 -3.995 -3.917 30 2HG GLU 4 2HG GLU 4 8.629 -5.312 -4.538 31 HE2 GLU 4 HE2 GLU 4 9.669 -4.385 -7.608 32 HA PRO 5 HA PRO 5 5.203 -7.528 -1.645 33 1HB PRO 5 1HB PRO 5 6.713 -9.366 -0.233 34 2HB PRO 5 2HB PRO 5 7.012 -9.133 -1.965 35 1HG PRO 5 1HG PRO 5 8.557 -7.929 0.388 36 2HG PRO 5 2HG PRO 5 9.227 -8.688 -1.072 37 1HD PRO 5 2HD PRO 5 8.836 -5.865 -0.680 38 2HD PRO 5 1HD PRO 5 9.070 -6.680 -2.266 39 H THR 6 H THR 6 6.169 -5.129 -0.059 40 HA THR 6 HA THR 6 4.662 -5.670 2.545 41 HB THR 6 HB THR 6 5.992 -3.005 2.165 42 HG1 THR 6 HG1 THR 6 7.395 -4.717 3.708 43 1HG2 THR 6 1HG2 THR 6 4.986 -4.734 4.495 44 2HG2 THR 6 2HG2 THR 6 6.272 -3.537 4.790 45 3HG2 THR 6 3HG2 THR 6 4.690 -3.012 4.182 46 H CYS 7 H CYS 7 4.770 -2.914 0.205 47 HA CYS 7 HA CYS 7 2.489 -2.319 -0.267 48 1HB CYS 7 2HB CYS 7 4.567 -2.604 -2.374 49 2HB CYS 7 1HB CYS 7 3.252 -1.465 -2.565 50 HG CYS 7 HG CYS 7 4.776 -0.994 0.193 51 H ARG 8 H ARG 8 3.150 -4.714 -1.719 52 HA ARG 8 HA ARG 8 0.565 -5.272 -3.285 53 1HB ARG 8 2HB ARG 8 2.813 -7.279 -2.878 54 2HB ARG 8 1HB ARG 8 1.341 -7.317 -3.875 55 1HG ARG 8 1HG ARG 8 2.345 -5.431 -5.322 56 2HG ARG 8 2HG ARG 8 3.816 -5.553 -4.376 57 1HD ARG 8 1HD ARG 8 4.049 -7.998 -5.106 58 2HD ARG 8 2HD ARG 8 2.628 -7.758 -6.160 59 1HH1 ARG 8 1HH1 ARG 8 3.292 -8.612 -7.753 60 2HH1 ARG 8 2HH1 ARG 8 4.070 -8.385 -9.409 61 1HH2 ARG 8 1HH2 ARG 8 6.003 -5.900 -8.165 62 2HH2 ARG 8 2HH2 ARG 8 5.592 -6.976 -9.615 63 H ASN 9 H ASN 9 2.193 -6.353 -0.578 64 HA ASN 9 HA ASN 9 -0.037 -7.267 1.137 65 1HB ASN 9 1HB ASN 9 1.908 -8.064 1.906 66 2HB ASN 9 2HB ASN 9 2.859 -6.679 1.440 67 1HD2 ASN 9 2HD2 ASN 9 3.810 -7.159 3.569 68 2HD2 ASN 9 1HD2 ASN 9 2.981 -6.387 5.017 69 H ARG 10 H ARG 10 1.118 -3.993 0.439 70 HA ARG 10 HA ARG 10 -1.036 -2.624 1.850 71 1HB ARG 10 2HB ARG 10 1.455 -1.195 0.853 72 2HB ARG 10 1HB ARG 10 0.176 -0.748 2.002 73 1HG ARG 10 1HG ARG 10 2.755 -2.225 2.493 74 2HG ARG 10 2HG ARG 10 1.861 -1.138 3.540 75 1HD ARG 10 1HD ARG 10 0.137 -3.232 3.561 76 2HD ARG 10 2HD ARG 10 1.650 -4.105 3.261 77 1HH1 ARG 10 1HH1 ARG 10 0.183 -1.078 4.594 78 2HH1 ARG 10 2HH1 ARG 10 0.611 -0.163 6.136 79 1HH2 ARG 10 1HH2 ARG 10 2.404 -2.812 7.234 80 2HH2 ARG 10 2HH2 ARG 10 1.743 -1.120 7.593 81 H THR 11 H THR 11 -0.775 -3.472 -0.636 82 HA THR 11 HA THR 11 -2.292 -1.711 -2.086 83 HB THR 11 HB THR 11 -0.777 -4.023 -2.499 84 HG1 THR 11 HG1 THR 11 0.148 -2.960 -4.091 85 1HG2 THR 11 1HG2 THR 11 -2.259 -4.503 -4.968 86 2HG2 THR 11 2HG2 THR 11 -3.235 -4.702 -3.480 87 3HG2 THR 11 3HG2 THR 11 -3.232 -3.222 -4.375 88 H ARG 12 H ARG 12 -2.113 -4.648 -0.828 89 HA ARG 12 HA ARG 12 -4.625 -5.606 -0.110 90 1HB ARG 12 2HB ARG 12 -3.005 -7.143 -0.308 91 2HB ARG 12 1HB ARG 12 -2.059 -5.831 0.310 92 1HG ARG 12 1HG ARG 12 -3.533 -8.159 1.830 93 2HG ARG 12 2HG ARG 12 -1.837 -7.741 2.024 94 1HD ARG 12 1HD ARG 12 -2.355 -5.818 3.365 95 2HD ARG 12 2HD ARG 12 -4.061 -5.857 2.988 96 1HH1 ARG 12 1HH1 ARG 12 -5.435 -6.026 4.145 97 2HH1 ARG 12 2HH1 ARG 12 -6.210 -6.707 5.672 98 1HH2 ARG 12 1HH2 ARG 12 -3.710 -8.978 5.940 99 2HH2 ARG 12 2HH2 ARG 12 -5.356 -8.397 6.558 100 H HIS 13 H HIS 13 -2.685 -4.356 2.379 101 HA HIS 13 HA HIS 13 -4.643 -2.469 3.295 102 1HB HIS 13 1HB HIS 13 -1.538 -2.280 3.637 103 2HB HIS 13 2HB HIS 13 -2.628 -1.217 4.479 104 HD2 HIS 13 HD2 HIS 13 -3.855 -4.797 4.695 105 HE1 HIS 13 HE1 HIS 13 -1.469 -4.311 8.071 106 HE2 HIS 13 HE2 HIS 13 -3.122 -5.951 6.949 107 H LEU 14 H LEU 14 -3.578 -2.257 0.823 108 HA LEU 14 HA LEU 14 -4.884 0.072 0.491 109 1HB LEU 14 1HB LEU 14 -3.494 0.054 -1.443 110 2HB LEU 14 2HB LEU 14 -3.958 -1.591 -1.697 111 HG LEU 14 HG LEU 14 -6.309 -0.669 -1.995 112 1HD1 LEU 14 1HD1 LEU 14 -4.488 1.480 -3.173 113 2HD1 LEU 14 2HD1 LEU 14 -6.254 1.322 -3.538 114 3HD1 LEU 14 3HD1 LEU 14 -5.727 1.668 -1.879 115 1HD2 LEU 14 1HD2 LEU 14 -4.171 -0.927 -4.133 116 2HD2 LEU 14 2HD2 LEU 14 -5.385 -2.166 -3.625 117 3HD2 LEU 14 3HD2 LEU 14 -5.949 -0.746 -4.476 118 HA PRO 15 HA PRO 15 -8.901 -1.698 0.565 119 1HB PRO 15 1HB PRO 15 -7.661 -4.449 1.309 120 2HB PRO 15 2HB PRO 15 -9.442 -4.193 1.074 121 1HG PRO 15 1HG PRO 15 -8.210 -5.080 -1.193 122 2HG PRO 15 2HG PRO 15 -9.011 -3.490 -1.371 123 1HD PRO 15 1HD PRO 15 -6.098 -4.105 -0.711 124 2HD PRO 15 2HD PRO 15 -6.743 -2.901 -1.946 125 H LEU 16 H LEU 16 -6.518 -1.666 2.213 126 HA LEU 16 HA LEU 16 -7.931 -1.326 4.630 127 1HB LEU 16 1HB LEU 16 -5.198 -1.924 4.549 128 2HB LEU 16 2HB LEU 16 -5.187 -0.198 4.828 129 HG LEU 16 HG LEU 16 -7.065 -1.606 6.651 130 1HD1 LEU 16 1HD2 LEU 16 -4.064 -2.285 6.814 131 2HD1 LEU 16 2HD2 LEU 16 -5.230 -2.615 8.113 132 3HD1 LEU 16 3HD2 LEU 16 -5.390 -3.433 6.537 133 1HD2 LEU 16 1HD1 LEU 16 -5.748 -0.311 8.426 134 2HD2 LEU 16 2HD1 LEU 16 -4.598 0.219 7.187 135 3HD2 LEU 16 3HD1 LEU 16 -6.290 0.757 7.107 136 H GLN 17 H GLN 17 -9.134 -0.169 2.962 137 HA GLN 17 HA GLN 17 -8.022 2.493 2.035 138 1HB GLN 17 1HB GLN 17 -9.309 2.243 0.108 139 2HB GLN 17 2HB GLN 17 -8.738 0.636 0.446 140 1HG GLN 17 1HG GLN 17 -11.199 0.402 1.666 141 2HG GLN 17 2HG GLN 17 -11.618 1.681 0.551 142 1HE2 GLN 17 2HE2 GLN 17 -10.443 1.061 -1.759 143 2HE2 GLN 17 1HE2 GLN 17 -11.011 -0.611 -2.297 144 H PHE 18 H PHE 18 -8.349 3.432 3.946 145 HA PHE 18 HA PHE 18 -10.322 5.659 3.836 146 1HB PHE 18 1HB PHE 18 -7.594 4.912 4.974 147 2HB PHE 18 2HB PHE 18 -7.568 6.529 4.338 148 HD1 PHE 18 HD1 PHE 18 -9.958 7.882 5.352 149 HD2 PHE 18 HD2 PHE 18 -7.557 4.793 7.129 150 HE1 PHE 18 HE1 PHE 18 -10.814 8.482 7.472 151 HE2 PHE 18 HE2 PHE 18 -8.382 5.353 9.279 152 HZ PHE 18 HZ PHE 18 -9.969 7.328 9.587 153 H SER 19 H SER 19 -7.672 4.509 2.138 154 HA SER 19 HA SER 19 -7.402 6.581 -0.091 155 1HB SER 19 1HB SER 19 -5.257 4.825 -0.041 156 2HB SER 19 2HB SER 19 -5.422 6.560 0.176 157 HG SER 19 HG SER 19 -5.875 6.217 2.413 158 H ARG 20 H ARG 20 -8.173 6.130 -1.927 159 HA ARG 20 HA ARG 20 -7.822 3.400 -3.114 160 1HB ARG 20 1HB ARG 20 -10.189 4.878 -3.287 161 2HB ARG 20 2HB ARG 20 -9.516 4.990 -4.905 162 1HG ARG 20 2HG ARG 20 -10.385 2.423 -3.448 163 2HG ARG 20 1HG ARG 20 -11.014 3.064 -4.969 164 1HD ARG 20 1HD ARG 20 -8.930 2.512 -6.162 165 2HD ARG 20 2HD ARG 20 -8.099 2.125 -4.662 166 1HH1 ARG 20 1HH1 ARG 20 -7.944 1.027 -7.079 167 2HH1 ARG 20 2HH1 ARG 20 -8.186 -0.638 -7.831 168 1HH2 ARG 20 1HH2 ARG 20 -10.118 -1.544 -5.197 169 2HH2 ARG 20 2HH2 ARG 20 -9.320 -2.055 -6.789 170 H THR 21 H THR 21 -5.709 3.499 -3.469 171 HA THR 21 HA THR 21 -3.743 4.568 -3.588 172 HB THR 21 HB THR 21 -3.132 5.333 -5.596 173 HG1 THR 21 HG1 THR 21 -4.060 6.757 -6.808 174 1HG2 THR 21 1HG2 THR 21 -6.066 4.228 -6.288 175 2HG2 THR 21 2HG2 THR 21 -4.656 4.088 -7.362 176 3HG2 THR 21 3HG2 THR 21 -4.734 3.134 -5.856 177 H GLY 22 H GLY 22 -5.371 5.777 -1.785 178 1HA GLY 22 1HA GLY 22 -4.355 8.592 -1.482 179 2HA GLY 22 2HA GLY 22 -5.501 7.774 -0.474 180 HA PRO 23 HA PRO 23 -2.381 6.160 -1.950 181 1HB PRO 23 1HB PRO 23 0.258 6.344 -1.764 182 2HB PRO 23 2HB PRO 23 -0.686 7.789 -1.456 183 1HG PRO 23 1HG PRO 23 0.580 5.821 0.599 184 2HG PRO 23 2HG PRO 23 0.721 7.596 0.605 185 1HD PRO 23 2HD PRO 23 -1.215 5.965 1.862 186 2HD PRO 23 1HD PRO 23 -1.343 7.772 1.781 187 H LEU 24 H LEU 24 -3.118 3.767 -1.908 188 HA LEU 24 HA LEU 24 -0.847 2.028 -1.203 189 1HB LEU 24 1HB LEU 24 -3.752 1.420 -0.515 190 2HB LEU 24 2HB LEU 24 -2.561 0.414 -0.050 191 HG LEU 24 HG LEU 24 -1.685 2.880 1.135 192 1HD1 LEU 24 1HD2 LEU 24 -3.603 3.939 2.257 193 2HD1 LEU 24 2HD2 LEU 24 -3.988 3.918 0.526 194 3HD1 LEU 24 3HD2 LEU 24 -4.739 2.805 1.637 195 1HD2 LEU 24 1HD1 LEU 24 -3.562 0.780 2.434 196 2HD2 LEU 24 2HD1 LEU 24 -1.773 0.674 2.348 197 3HD2 LEU 24 3HD1 LEU 24 -2.546 1.928 3.333 198 H CYS 25 H CYS 25 -0.905 -0.406 -2.123 199 HA CYS 25 HA CYS 25 0.677 1.479 -1.949 200 1HB CYS 25 1HB CYS 25 0.592 -0.528 -0.792 201 2HB CYS 25 2HB CYS 25 2.191 -0.312 -1.569 202 HG CYS 25 HG CYS 25 0.424 1.484 0.201 203 HA PRO 26 HA PRO 26 2.836 2.045 -5.401 204 1HB PRO 26 1HB PRO 26 1.941 1.639 -7.903 205 2HB PRO 26 2HB PRO 26 2.449 0.173 -7.032 206 1HG PRO 26 1HG PRO 26 -0.376 1.325 -7.315 207 2HG PRO 26 2HG PRO 26 0.196 -0.358 -7.555 208 1HD PRO 26 2HD PRO 26 -0.876 0.678 -5.067 209 2HD PRO 26 1HD PRO 26 -0.022 -0.887 -5.364 210 H ALA 27 H ALA 27 0.089 2.681 -3.986 211 HA ALA 27 HA ALA 27 0.248 5.549 -5.121 212 1HB ALA 27 1HB ALA 27 -2.020 4.838 -4.530 213 2HB ALA 27 2HB ALA 27 -1.487 4.248 -2.950 214 3HB ALA 27 3HB ALA 27 -1.446 5.993 -3.298 215 H CYS 28 H CYS 28 2.083 3.343 -3.485 216 HA CYS 28 HA CYS 28 2.354 4.672 -0.954 217 1HB CYS 28 1HB CYS 28 2.750 2.482 -0.648 218 2HB CYS 28 2HB CYS 28 3.643 2.320 -2.108 219 HG CYS 28 HG CYS 28 5.932 3.001 -1.298 220 H MET 29 H MET 29 2.993 6.536 -0.536 221 HA MET 29 HA MET 29 5.679 7.652 -1.461 222 1HB MET 29 1HB MET 29 3.222 9.067 -0.267 223 2HB MET 29 2HB MET 29 4.802 9.829 -0.384 224 1HG MET 29 1HG MET 29 4.704 9.937 -2.788 225 2HG MET 29 2HG MET 29 3.560 8.607 -2.915 226 1HE MET 29 1HE MET 29 0.947 10.738 -4.243 227 2HE MET 29 2HE MET 29 2.548 11.448 -4.618 228 3HE MET 29 3HE MET 29 2.352 9.672 -4.544 229 H LYS 30 H LYS 30 6.217 5.681 -0.025 230 HA LYS 30 HA LYS 30 6.901 6.601 2.688 231 1HB LYS 30 1HB LYS 30 6.871 3.785 1.449 232 2HB LYS 30 2HB LYS 30 7.516 4.116 3.039 233 1HG LYS 30 1HG LYS 30 5.142 3.235 3.085 234 2HG LYS 30 2HG LYS 30 5.437 4.688 4.013 235 1HD LYS 30 1HD LYS 30 4.412 6.055 2.067 236 2HD LYS 30 2HD LYS 30 4.162 4.586 1.189 237 1HE LYS 30 1HE LYS 30 2.323 5.866 2.916 238 2HE LYS 30 2HE LYS 30 2.084 4.274 2.261 239 1HZ LYS 30 1HZ LYS 30 2.128 3.667 4.422 240 2HZ LYS 30 2HZ LYS 30 2.670 5.097 4.928 241 H ALA 31 H ALA 31 10.422 5.773 0.757 242 HA ALA 31 HA ALA 31 8.464 3.601 0.889 243 1HB ALA 31 1HB ALA 31 7.678 3.588 -1.493 244 2HB ALA 31 2HB ALA 31 7.151 5.074 -0.693 245 3HB ALA 31 3HB ALA 31 8.520 5.105 -1.833 Start of MODEL 7 1 1H ILE 1 1H ILE 1 9.591 4.060 3.747 2 2H ILE 1 2H ILE 1 10.613 4.096 5.018 3 HA ILE 1 HA ILE 1 10.339 1.829 5.483 4 HB ILE 1 HB ILE 1 8.265 3.611 5.517 5 1HG1 ILE 1 1HG1 ILE 1 9.127 2.199 8.013 6 2HG1 ILE 1 2HG1 ILE 1 10.235 3.303 7.223 7 1HG2 ILE 1 1HG2 ILE 1 6.627 2.100 6.837 8 2HG2 ILE 1 2HG2 ILE 1 6.778 1.613 5.146 9 3HG2 ILE 1 3HG2 ILE 1 7.661 0.715 6.400 10 1HD1 ILE 1 1HD1 ILE 1 8.837 4.571 8.852 11 2HD1 ILE 1 2HD1 ILE 1 8.538 5.143 7.188 12 3HD1 ILE 1 3HD1 ILE 1 7.347 4.088 7.983 13 H CYS 2 H CYS 2 8.020 2.568 2.986 14 HA CYS 2 HA CYS 2 7.520 -0.245 2.486 15 1HB CYS 2 2HB CYS 2 5.880 1.589 2.962 16 2HB CYS 2 1HB CYS 2 6.053 2.102 1.291 17 HG CYS 2 HG CYS 2 4.522 0.709 0.295 18 H GLU 3 H GLU 3 8.623 -1.458 1.252 19 HA GLU 3 HA GLU 3 8.778 -0.793 -1.708 20 1HB GLU 3 1HB GLU 3 10.688 -2.926 -0.905 21 2HB GLU 3 2HB GLU 3 10.972 -1.485 -1.872 22 1HG GLU 3 2HG GLU 3 10.952 -0.272 0.590 23 2HG GLU 3 1HG GLU 3 11.244 -1.911 1.163 24 HE2 GLU 3 HE2 GLU 3 14.482 -0.837 0.881 25 H GLU 4 H GLU 4 8.762 -2.717 -3.212 26 HA GLU 4 HA GLU 4 6.530 -4.246 -3.043 27 1HB GLU 4 1HB GLU 4 7.542 -5.817 -4.708 28 2HB GLU 4 2HB GLU 4 7.945 -4.149 -5.046 29 1HG GLU 4 1HG GLU 4 10.292 -4.495 -4.175 30 2HG GLU 4 2HG GLU 4 9.892 -6.118 -3.619 31 HE2 GLU 4 HE2 GLU 4 9.410 -6.827 -7.257 32 HA PRO 5 HA PRO 5 4.840 -7.540 -1.369 33 1HB PRO 5 1HB PRO 5 7.577 -8.952 -0.847 34 2HB PRO 5 2HB PRO 5 5.957 -9.672 -0.862 35 1HG PRO 5 1HG PRO 5 7.571 -9.454 -3.155 36 2HG PRO 5 2HG PRO 5 5.809 -9.674 -3.221 37 1HD PRO 5 2HD PRO 5 7.272 -7.370 -4.180 38 2HD PRO 5 1HD PRO 5 5.494 -7.443 -3.860 39 H THR 6 H THR 6 5.576 -5.236 -0.689 40 HA THR 6 HA THR 6 4.637 -5.194 2.180 41 HB THR 6 HB THR 6 6.097 -2.698 1.404 42 HG1 THR 6 HG1 THR 6 7.629 -4.355 1.164 43 1HG2 THR 6 1HG2 THR 6 4.948 -2.448 3.502 44 2HG2 THR 6 2HG2 THR 6 5.253 -4.132 3.996 45 3HG2 THR 6 3HG2 THR 6 6.568 -2.942 4.034 46 H CYS 7 H CYS 7 4.837 -2.953 -0.623 47 HA CYS 7 HA CYS 7 2.621 -2.234 -1.223 48 1HB CYS 7 2HB CYS 7 4.763 -3.209 -3.017 49 2HB CYS 7 1HB CYS 7 3.606 -2.056 -3.645 50 HG CYS 7 HG CYS 7 6.298 -1.382 -2.917 51 H ARG 8 H ARG 8 3.184 -4.754 -2.535 52 HA ARG 8 HA ARG 8 0.450 -5.249 -3.821 53 1HB ARG 8 1HB ARG 8 1.267 -6.711 -5.138 54 2HB ARG 8 2HB ARG 8 2.902 -6.499 -4.568 55 1HG ARG 8 1HG ARG 8 2.727 -8.415 -3.023 56 2HG ARG 8 2HG ARG 8 0.985 -8.490 -3.214 57 1HD ARG 8 1HD ARG 8 1.358 -9.095 -5.704 58 2HD ARG 8 2HD ARG 8 3.096 -9.232 -5.318 59 1HH1 ARG 8 1HH1 ARG 8 0.668 -10.561 -6.518 60 2HH1 ARG 8 2HH1 ARG 8 0.014 -12.283 -6.452 61 1HH2 ARG 8 1HH2 ARG 8 1.675 -12.829 -3.556 62 2HH2 ARG 8 2HH2 ARG 8 0.606 -13.530 -4.896 63 H ASN 9 H ASN 9 2.291 -6.294 -1.296 64 HA ASN 9 HA ASN 9 0.273 -7.106 0.702 65 1HB ASN 9 1HB ASN 9 2.541 -7.776 0.874 66 2HB ASN 9 2HB ASN 9 3.156 -6.149 0.945 67 1HD2 ASN 9 2HD2 ASN 9 1.550 -4.913 2.867 68 2HD2 ASN 9 1HD2 ASN 9 1.815 -5.849 4.425 69 H ARG 10 H ARG 10 1.258 -3.780 -0.286 70 HA ARG 10 HA ARG 10 -0.782 -2.570 1.353 71 1HB ARG 10 1HB ARG 10 1.316 -1.826 1.886 72 2HB ARG 10 2HB ARG 10 1.714 -1.266 0.232 73 1HG ARG 10 1HG ARG 10 -0.035 0.587 0.510 74 2HG ARG 10 2HG ARG 10 -0.493 -0.083 2.062 75 1HD ARG 10 1HD ARG 10 2.248 1.092 1.462 76 2HD ARG 10 2HD ARG 10 0.923 1.932 2.284 77 1HH1 ARG 10 1HH1 ARG 10 3.106 2.446 3.230 78 2HH1 ARG 10 2HH1 ARG 10 3.580 2.495 5.011 79 1HH2 ARG 10 1HH2 ARG 10 1.997 -0.436 5.552 80 2HH2 ARG 10 2HH2 ARG 10 3.210 0.812 6.184 81 H THR 11 H THR 11 -0.748 -3.288 -1.196 82 HA THR 11 HA THR 11 -2.598 -1.599 -2.318 83 HB THR 11 HB THR 11 -0.992 -3.773 -3.066 84 HG1 THR 11 HG1 THR 11 -0.294 -2.563 -4.694 85 1HG2 THR 11 1HG2 THR 11 -2.674 -4.073 -5.441 86 2HG2 THR 11 2HG2 THR 11 -3.506 -4.461 -3.904 87 3HG2 THR 11 3HG2 THR 11 -3.632 -2.900 -4.637 88 H ARG 12 H ARG 12 -2.023 -4.571 -1.205 89 HA ARG 12 HA ARG 12 -4.386 -5.733 -0.199 90 1HB ARG 12 2HB ARG 12 -2.644 -7.112 -0.580 91 2HB ARG 12 1HB ARG 12 -1.769 -5.715 -0.053 92 1HG ARG 12 1HG ARG 12 -2.950 -8.127 1.600 93 2HG ARG 12 2HG ARG 12 -1.272 -7.618 1.657 94 1HD ARG 12 1HD ARG 12 -1.726 -5.806 3.094 95 2HD ARG 12 2HD ARG 12 -3.437 -5.752 2.742 96 1HH1 ARG 12 1HH1 ARG 12 -0.813 -6.058 4.617 97 2HH1 ARG 12 2HH1 ARG 12 -0.738 -6.656 6.359 98 1HH2 ARG 12 1HH2 ARG 12 -3.399 -8.670 5.808 99 2HH2 ARG 12 2HH2 ARG 12 -2.130 -8.058 7.010 100 H HIS 13 H HIS 13 -2.290 -4.289 1.993 101 HA HIS 13 HA HIS 13 -4.263 -2.550 3.166 102 1HB HIS 13 1HB HIS 13 -1.133 -2.422 3.219 103 2HB HIS 13 2HB HIS 13 -2.049 -1.100 3.881 104 HD2 HIS 13 HD2 HIS 13 -2.714 -4.889 4.714 105 HE1 HIS 13 HE1 HIS 13 -1.253 -3.066 8.160 106 HE2 HIS 13 HE2 HIS 13 -2.123 -5.322 7.246 107 H LEU 14 H LEU 14 -3.472 -2.250 0.608 108 HA LEU 14 HA LEU 14 -4.864 0.068 0.583 109 1HB LEU 14 1HB LEU 14 -3.699 0.013 -1.594 110 2HB LEU 14 2HB LEU 14 -4.421 -1.528 -1.894 111 HG LEU 14 HG LEU 14 -6.640 -0.421 -1.746 112 1HD1 LEU 14 1HD1 LEU 14 -4.881 1.853 -2.756 113 2HD1 LEU 14 2HD1 LEU 14 -6.685 1.817 -2.895 114 3HD1 LEU 14 3HD1 LEU 14 -5.928 1.816 -1.290 115 1HD2 LEU 14 1HD2 LEU 14 -4.841 -0.349 -4.196 116 2HD2 LEU 14 2HD2 LEU 14 -6.053 -1.614 -3.749 117 3HD2 LEU 14 3HD2 LEU 14 -6.632 -0.037 -4.234 118 HA PRO 15 HA PRO 15 -8.820 -2.419 0.779 119 1HB PRO 15 1HB PRO 15 -6.838 -4.588 1.469 120 2HB PRO 15 2HB PRO 15 -8.607 -4.870 1.182 121 1HG PRO 15 1HG PRO 15 -6.554 -5.105 -0.913 122 2HG PRO 15 2HG PRO 15 -8.304 -4.916 -1.237 123 1HD PRO 15 2HD PRO 15 -6.815 -2.669 -2.032 124 2HD PRO 15 1HD PRO 15 -8.393 -2.681 -1.240 125 H LEU 16 H LEU 16 -6.310 -1.852 2.294 126 HA LEU 16 HA LEU 16 -7.637 -1.609 4.734 127 1HB LEU 16 1HB LEU 16 -4.841 -1.891 4.531 128 2HB LEU 16 2HB LEU 16 -5.043 -0.187 4.863 129 HG LEU 16 HG LEU 16 -6.735 -1.489 6.755 130 1HD1 LEU 16 1HD1 LEU 16 -5.117 -3.022 7.977 131 2HD1 LEU 16 2HD1 LEU 16 -5.474 -3.662 6.365 132 3HD1 LEU 16 3HD1 LEU 16 -3.930 -2.835 6.662 133 1HD2 LEU 16 1HD2 LEU 16 -5.391 0.585 7.189 134 2HD2 LEU 16 2HD2 LEU 16 -5.078 -0.619 8.459 135 3HD2 LEU 16 3HD2 LEU 16 -3.887 -0.360 7.158 136 H GLN 17 H GLN 17 -8.985 -0.646 3.039 137 HA GLN 17 HA GLN 17 -8.183 2.126 2.098 138 1HB GLN 17 1HB GLN 17 -9.713 1.793 0.266 139 2HB GLN 17 2HB GLN 17 -8.683 0.401 0.416 140 1HG GLN 17 1HG GLN 17 -10.455 -1.075 0.969 141 2HG GLN 17 2HG GLN 17 -11.414 0.149 1.770 142 1HE2 GLN 17 2HE2 GLN 17 -10.736 -1.495 -1.153 143 2HE2 GLN 17 1HE2 GLN 17 -12.021 -0.633 -2.159 144 H PHE 18 H PHE 18 -8.547 3.041 4.012 145 HA PHE 18 HA PHE 18 -10.705 5.091 3.899 146 1HB PHE 18 1HB PHE 18 -8.010 4.549 5.133 147 2HB PHE 18 2HB PHE 18 -7.966 6.110 4.371 148 HD1 PHE 18 HD1 PHE 18 -9.294 4.184 7.168 149 HD2 PHE 18 HD2 PHE 18 -8.897 8.040 5.314 150 HE1 PHE 18 HE1 PHE 18 -9.283 5.174 9.308 151 HE2 PHE 18 HE2 PHE 18 -8.885 9.087 7.438 152 HZ PHE 18 HZ PHE 18 -9.131 7.708 9.569 153 H SER 19 H SER 19 -7.969 4.156 2.197 154 HA SER 19 HA SER 19 -7.875 6.265 -0.008 155 1HB SER 19 1HB SER 19 -5.587 4.741 -0.046 156 2HB SER 19 2HB SER 19 -5.914 6.433 0.292 157 HG SER 19 HG SER 19 -5.468 6.188 2.267 158 H ARG 20 H ARG 20 -8.685 5.785 -1.794 159 HA ARG 20 HA ARG 20 -8.077 3.178 -3.146 160 1HB ARG 20 2HB ARG 20 -10.715 3.909 -3.070 161 2HB ARG 20 1HB ARG 20 -10.111 4.903 -4.382 162 1HG ARG 20 1HG ARG 20 -11.206 2.683 -5.138 163 2HG ARG 20 2HG ARG 20 -9.569 2.918 -5.752 164 1HD ARG 20 1HD ARG 20 -8.738 1.494 -3.729 165 2HD ARG 20 2HD ARG 20 -10.426 1.104 -3.426 166 1HH1 ARG 20 1HH1 ARG 20 -7.607 1.731 -5.555 167 2HH1 ARG 20 2HH1 ARG 20 -7.035 0.867 -7.079 168 1HH2 ARG 20 1HH2 ARG 20 -9.444 -1.471 -6.662 169 2HH2 ARG 20 2HH2 ARG 20 -8.009 -0.878 -7.672 170 H THR 21 H THR 21 -6.030 3.524 -3.681 171 HA THR 21 HA THR 21 -4.207 4.824 -3.783 172 HB THR 21 HB THR 21 -3.797 5.828 -5.749 173 HG1 THR 21 HG1 THR 21 -5.517 6.710 -7.134 174 1HG2 THR 21 1HG2 THR 21 -6.566 4.339 -6.400 175 2HG2 THR 21 2HG2 THR 21 -5.206 4.482 -7.537 176 3HG2 THR 21 3HG2 THR 21 -5.068 3.434 -6.099 177 H GLY 22 H GLY 22 -5.866 5.713 -1.825 178 1HA GLY 22 1HA GLY 22 -5.081 8.588 -1.351 179 2HA GLY 22 2HA GLY 22 -6.151 7.619 -0.395 180 HA PRO 23 HA PRO 23 -2.947 6.365 -2.042 181 1HB PRO 23 1HB PRO 23 -0.334 6.759 -1.875 182 2HB PRO 23 2HB PRO 23 -1.392 8.086 -1.434 183 1HG PRO 23 1HG PRO 23 0.091 6.082 0.431 184 2HG PRO 23 2HG PRO 23 0.063 7.855 0.586 185 1HD PRO 23 2HD PRO 23 -1.684 5.937 1.716 186 2HD PRO 23 1HD PRO 23 -1.973 7.725 1.812 187 H LEU 24 H LEU 24 -3.610 3.898 -1.945 188 HA LEU 24 HA LEU 24 -1.171 2.268 -1.623 189 1HB LEU 24 1HB LEU 24 -3.829 1.433 -0.407 190 2HB LEU 24 2HB LEU 24 -2.453 0.613 -0.123 191 HG LEU 24 HG LEU 24 -1.582 3.045 0.892 192 1HD1 LEU 24 1HD2 LEU 24 -3.356 4.331 2.019 193 2HD1 LEU 24 2HD2 LEU 24 -3.830 4.214 0.314 194 3HD1 LEU 24 3HD2 LEU 24 -4.604 3.247 1.540 195 1HD2 LEU 24 1HD1 LEU 24 -3.541 1.198 2.435 196 2HD2 LEU 24 2HD1 LEU 24 -1.771 0.949 2.275 197 3HD2 LEU 24 3HD1 LEU 24 -2.398 2.327 3.196 198 H CYS 25 H CYS 25 -1.344 -0.198 -2.437 199 HA CYS 25 HA CYS 25 0.255 1.546 -2.375 200 1HB CYS 25 2HB CYS 25 0.106 -0.415 -1.285 201 2HB CYS 25 1HB CYS 25 1.182 -0.576 -2.504 202 HG CYS 25 HG CYS 25 2.954 -0.120 -0.939 203 HA PRO 26 HA PRO 26 3.288 3.172 -4.599 204 1HB PRO 26 1HB PRO 26 2.388 1.543 -7.054 205 2HB PRO 26 2HB PRO 26 3.949 2.345 -6.765 206 1HG PRO 26 1HG PRO 26 3.285 -0.373 -6.044 207 2HG PRO 26 2HG PRO 26 4.746 0.559 -5.584 208 1HD PRO 26 2HD PRO 26 2.924 -0.339 -3.647 209 2HD PRO 26 1HD PRO 26 3.955 1.135 -3.503 210 H ALA 27 H ALA 27 0.464 3.434 -3.861 211 HA ALA 27 HA ALA 27 0.958 6.413 -4.462 212 1HB ALA 27 1HB ALA 27 -1.417 5.803 -4.640 213 2HB ALA 27 2HB ALA 27 -1.343 4.851 -3.151 214 3HB ALA 27 3HB ALA 27 -1.156 6.620 -3.076 215 H CYS 28 H CYS 28 2.008 3.675 -2.680 216 HA CYS 28 HA CYS 28 2.715 5.004 -0.264 217 1HB CYS 28 1HB CYS 28 3.718 3.158 0.434 218 2HB CYS 28 2HB CYS 28 2.979 2.527 -0.985 219 HG CYS 28 HG CYS 28 5.022 1.759 -2.066 220 H MET 29 H MET 29 3.479 7.081 -0.225 221 HA MET 29 HA MET 29 6.288 7.561 -1.147 222 1HB MET 29 1HB MET 29 4.309 9.450 0.265 223 2HB MET 29 2HB MET 29 5.775 9.907 -0.591 224 1HG MET 29 1HG MET 29 3.311 8.550 -1.897 225 2HG MET 29 2HG MET 29 3.644 10.278 -1.928 226 1HE MET 29 1HE MET 29 3.279 8.532 -4.771 227 2HE MET 29 2HE MET 29 3.345 10.286 -4.409 228 3HE MET 29 3HE MET 29 4.463 9.577 -5.611 229 H LYS 30 H LYS 30 6.616 5.710 0.493 230 HA LYS 30 HA LYS 30 7.070 6.600 3.267 231 1HB LYS 30 1HB LYS 30 6.236 3.873 2.109 232 2HB LYS 30 2HB LYS 30 6.700 4.080 3.780 233 1HG LYS 30 1HG LYS 30 4.289 4.106 3.733 234 2HG LYS 30 2HG LYS 30 4.862 5.689 4.210 235 1HD LYS 30 1HD LYS 30 4.360 6.571 1.882 236 2HD LYS 30 2HD LYS 30 3.999 4.975 1.323 237 1HE LYS 30 1HE LYS 30 1.956 6.430 1.741 238 2HE LYS 30 2HE LYS 30 1.839 4.932 2.614 239 1HZ LYS 30 1HZ LYS 30 1.486 6.324 4.346 240 2HZ LYS 30 2HZ LYS 30 2.015 7.630 3.568 241 H ALA 31 H ALA 31 8.714 4.656 0.877 242 HA ALA 31 HA ALA 31 11.271 4.694 2.549 243 1HB ALA 31 1HB ALA 31 11.947 2.481 1.582 244 2HB ALA 31 2HB ALA 31 10.451 2.306 2.509 245 3HB ALA 31 3HB ALA 31 10.407 2.325 0.728 Start of MODEL 8 1 1H ILE 1 1H ILE 1 10.824 2.746 2.501 2 2H ILE 1 2H ILE 1 12.043 2.987 3.559 3 HA ILE 1 HA ILE 1 10.967 1.841 5.279 4 HB ILE 1 HB ILE 1 9.945 4.075 4.094 5 1HG1 ILE 1 1HG1 ILE 1 10.659 4.014 7.008 6 2HG1 ILE 1 2HG1 ILE 1 11.908 3.864 5.787 7 1HG2 ILE 1 1HG2 ILE 1 8.147 4.573 5.892 8 2HG2 ILE 1 2HG2 ILE 1 7.680 3.246 4.825 9 3HG2 ILE 1 3HG2 ILE 1 8.327 2.887 6.441 10 1HD1 ILE 1 1HD1 ILE 1 11.568 6.276 6.320 11 2HD1 ILE 1 2HD1 ILE 1 11.156 5.944 4.616 12 3HD1 ILE 1 3HD1 ILE 1 9.854 6.170 5.807 13 H CYS 2 H CYS 2 8.255 2.238 3.095 14 HA CYS 2 HA CYS 2 7.152 -0.355 3.824 15 1HB CYS 2 2HB CYS 2 5.911 1.692 3.937 16 2HB CYS 2 1HB CYS 2 6.034 1.922 2.199 17 HG CYS 2 HG CYS 2 3.879 1.143 1.863 18 H GLU 3 H GLU 3 7.251 0.772 0.510 19 HA GLU 3 HA GLU 3 7.766 -0.361 -1.543 20 1HB GLU 3 1HB GLU 3 9.832 0.170 -0.147 21 2HB GLU 3 2HB GLU 3 9.801 -1.452 0.533 22 1HG GLU 3 2HG GLU 3 10.391 -2.425 -1.700 23 2HG GLU 3 1HG GLU 3 10.077 -0.894 -2.512 24 HE2 GLU 3 HE2 GLU 3 12.991 0.428 -0.679 25 H GLU 4 H GLU 4 8.167 -2.095 -2.879 26 HA GLU 4 HA GLU 4 6.017 -3.840 -2.759 27 1HB GLU 4 1HB GLU 4 7.083 -4.995 -4.788 28 2HB GLU 4 2HB GLU 4 6.979 -3.252 -4.873 29 1HG GLU 4 1HG GLU 4 9.188 -4.025 -5.768 30 2HG GLU 4 2HG GLU 4 9.477 -3.077 -4.313 31 HE2 GLU 4 HE2 GLU 4 11.556 -5.638 -3.506 32 HA PRO 5 HA PRO 5 4.970 -7.660 -1.773 33 1HB PRO 5 1HB PRO 5 7.917 -8.695 -1.762 34 2HB PRO 5 2HB PRO 5 6.422 -9.646 -1.820 35 1HG PRO 5 1HG PRO 5 7.743 -8.711 -4.119 36 2HG PRO 5 2HG PRO 5 6.032 -9.187 -4.106 37 1HD PRO 5 2HD PRO 5 7.057 -6.535 -4.640 38 2HD PRO 5 1HD PRO 5 5.347 -6.951 -4.220 39 H THR 6 H THR 6 5.449 -5.457 -0.648 40 HA THR 6 HA THR 6 4.704 -6.202 2.161 41 HB THR 6 HB THR 6 5.756 -3.470 2.274 42 HG1 THR 6 HG1 THR 6 7.856 -4.818 2.830 43 1HG2 THR 6 1HG2 THR 6 4.897 -5.112 4.212 44 2HG2 THR 6 2HG2 THR 6 6.532 -5.810 4.114 45 3HG2 THR 6 3HG2 THR 6 6.319 -4.098 4.529 46 H CYS 7 H CYS 7 4.602 -3.168 0.191 47 HA CYS 7 HA CYS 7 2.335 -2.528 -0.185 48 1HB CYS 7 1HB CYS 7 4.412 -2.723 -2.281 49 2HB CYS 7 2HB CYS 7 3.027 -1.672 -2.501 50 HG CYS 7 HG CYS 7 5.468 -0.544 -1.994 51 H ARG 8 H ARG 8 2.930 -4.883 -1.706 52 HA ARG 8 HA ARG 8 0.323 -5.465 -3.203 53 1HB ARG 8 2HB ARG 8 2.535 -7.494 -2.732 54 2HB ARG 8 1HB ARG 8 1.115 -7.489 -3.799 55 1HG ARG 8 2HG ARG 8 2.229 -5.617 -5.160 56 2HG ARG 8 1HG ARG 8 3.669 -5.787 -4.173 57 1HD ARG 8 1HD ARG 8 4.099 -8.051 -5.017 58 2HD ARG 8 2HD ARG 8 2.483 -8.134 -5.774 59 1HH1 ARG 8 1HH1 ARG 8 4.483 -9.221 -6.822 60 2HH1 ARG 8 2HH1 ARG 8 5.369 -9.127 -8.435 61 1HH2 ARG 8 1HH2 ARG 8 4.298 -5.940 -8.842 62 2HH2 ARG 8 2HH2 ARG 8 5.251 -7.363 -9.548 63 H ASN 9 H ASN 9 1.930 -6.571 -0.463 64 HA ASN 9 HA ASN 9 -0.374 -7.423 1.189 65 1HB ASN 9 1HB ASN 9 1.447 -8.332 2.099 66 2HB ASN 9 2HB ASN 9 2.537 -7.098 1.530 67 1HD2 ASN 9 2HD2 ASN 9 3.618 -7.011 3.491 68 2HD2 ASN 9 1HD2 ASN 9 2.801 -6.286 4.971 69 H ARG 10 H ARG 10 0.971 -4.174 0.628 70 HA ARG 10 HA ARG 10 -1.207 -2.786 1.954 71 1HB ARG 10 2HB ARG 10 1.289 -1.358 0.987 72 2HB ARG 10 1HB ARG 10 0.019 -0.926 2.151 73 1HG ARG 10 2HG ARG 10 1.148 -3.073 3.467 74 2HG ARG 10 1HG ARG 10 2.564 -2.523 2.590 75 1HD ARG 10 1HD ARG 10 2.473 -0.351 3.636 76 2HD ARG 10 2HD ARG 10 0.862 -0.659 4.307 77 1HH1 ARG 10 1HH1 ARG 10 3.246 0.627 5.147 78 2HH1 ARG 10 2HH1 ARG 10 4.387 0.478 6.586 79 1HH2 ARG 10 1HH2 ARG 10 3.199 -2.624 7.229 80 2HH2 ARG 10 2HH2 ARG 10 4.265 -1.218 7.788 81 H THR 11 H THR 11 -0.955 -3.677 -0.506 82 HA THR 11 HA THR 11 -2.427 -1.906 -1.997 83 HB THR 11 HB THR 11 -0.947 -4.247 -2.360 84 HG1 THR 11 HG1 THR 11 -1.289 -2.822 -4.732 85 1HG2 THR 11 1HG2 THR 11 -2.446 -4.779 -4.808 86 2HG2 THR 11 2HG2 THR 11 -3.416 -4.928 -3.311 87 3HG2 THR 11 3HG2 THR 11 -3.404 -3.473 -4.247 88 H ARG 12 H ARG 12 -2.325 -4.817 -0.690 89 HA ARG 12 HA ARG 12 -4.861 -5.741 0.001 90 1HB ARG 12 2HB ARG 12 -3.279 -7.312 -0.159 91 2HB ARG 12 1HB ARG 12 -2.300 -6.009 0.427 92 1HG ARG 12 2HG ARG 12 -3.854 -8.240 1.992 93 2HG ARG 12 1HG ARG 12 -2.136 -7.929 2.185 94 1HD ARG 12 1HD ARG 12 -2.594 -5.903 3.465 95 2HD ARG 12 2HD ARG 12 -4.307 -5.949 3.122 96 1HH1 ARG 12 1HH1 ARG 12 -5.787 -6.349 4.094 97 2HH1 ARG 12 2HH1 ARG 12 -6.648 -7.182 5.495 98 1HH2 ARG 12 1HH2 ARG 12 -3.805 -8.832 6.294 99 2HH2 ARG 12 2HH2 ARG 12 -5.599 -8.551 6.658 100 H HIS 13 H HIS 13 -2.928 -4.446 2.502 101 HA HIS 13 HA HIS 13 -4.863 -2.569 3.385 102 1HB HIS 13 1HB HIS 13 -1.870 -1.930 3.715 103 2HB HIS 13 2HB HIS 13 -3.104 -1.514 4.868 104 HD2 HIS 13 HD2 HIS 13 -0.210 -3.623 4.817 105 HE1 HIS 13 HE1 HIS 13 -2.815 -5.667 7.345 106 HE2 HIS 13 HE2 HIS 13 -0.318 -5.472 6.697 107 H LEU 14 H LEU 14 -3.743 -2.419 0.917 108 HA LEU 14 HA LEU 14 -5.021 -0.067 0.530 109 1HB LEU 14 1HB LEU 14 -3.597 -0.123 -1.350 110 2HB LEU 14 2HB LEU 14 -4.089 -1.764 -1.582 111 HG LEU 14 HG LEU 14 -6.411 -0.826 -1.948 112 1HD1 LEU 14 1HD1 LEU 14 -4.560 1.323 -3.076 113 2HD1 LEU 14 2HD1 LEU 14 -6.318 1.172 -3.477 114 3HD1 LEU 14 3HD1 LEU 14 -5.823 1.510 -1.807 115 1HD2 LEU 14 1HD2 LEU 14 -4.233 -1.079 -4.043 116 2HD2 LEU 14 2HD2 LEU 14 -5.455 -2.322 -3.561 117 3HD2 LEU 14 3HD2 LEU 14 -6.004 -0.900 -4.418 118 HA PRO 15 HA PRO 15 -9.054 -1.758 0.555 119 1HB PRO 15 1HB PRO 15 -7.864 -4.512 1.402 120 2HB PRO 15 2HB PRO 15 -9.636 -4.236 1.126 121 1HG PRO 15 1HG PRO 15 -8.370 -5.190 -1.097 122 2HG PRO 15 2HG PRO 15 -9.146 -3.593 -1.324 123 1HD PRO 15 1HD PRO 15 -6.254 -4.230 -0.603 124 2HD PRO 15 2HD PRO 15 -6.872 -3.047 -1.867 125 H LEU 16 H LEU 16 -6.710 -1.748 2.264 126 HA LEU 16 HA LEU 16 -8.147 -1.319 4.622 127 1HB LEU 16 1HB LEU 16 -5.473 -2.065 4.648 128 2HB LEU 16 2HB LEU 16 -5.357 -0.334 4.871 129 HG LEU 16 HG LEU 16 -7.399 -1.309 6.684 130 1HD1 LEU 16 1HD1 LEU 16 -5.985 -2.815 8.166 131 2HD1 LEU 16 2HD1 LEU 16 -6.240 -3.565 6.581 132 3HD1 LEU 16 3HD1 LEU 16 -4.680 -2.799 6.953 133 1HD2 LEU 16 1HD2 LEU 16 -5.989 0.725 7.084 134 2HD2 LEU 16 2HD2 LEU 16 -5.853 -0.386 8.464 135 3HD2 LEU 16 3HD2 LEU 16 -4.540 -0.287 7.262 136 H GLN 17 H GLN 17 -9.250 -0.145 2.901 137 HA GLN 17 HA GLN 17 -8.070 2.517 2.061 138 1HB GLN 17 1HB GLN 17 -9.646 2.372 0.171 139 2HB GLN 17 2HB GLN 17 -8.594 0.991 0.274 140 1HG GLN 17 1HG GLN 17 -10.513 -0.386 1.298 141 2HG GLN 17 2HG GLN 17 -11.586 0.984 1.118 142 1HE2 GLN 17 2HE2 GLN 17 -12.247 1.566 -0.989 143 2HE2 GLN 17 1HE2 GLN 17 -12.069 0.346 -2.364 144 H PHE 18 H PHE 18 -8.427 3.542 3.876 145 HA PHE 18 HA PHE 18 -10.413 5.747 3.637 146 1HB PHE 18 1HB PHE 18 -7.877 5.031 5.024 147 2HB PHE 18 2HB PHE 18 -7.539 6.461 4.096 148 HD1 PHE 18 HD1 PHE 18 -10.525 7.629 4.784 149 HD2 PHE 18 HD2 PHE 18 -7.207 5.997 6.974 150 HE1 PHE 18 HE1 PHE 18 -11.396 8.591 6.760 151 HE2 PHE 18 HE2 PHE 18 -8.046 6.921 8.987 152 HZ PHE 18 HZ PHE 18 -10.127 8.403 8.968 153 H SER 19 H SER 19 -7.726 4.536 2.033 154 HA SER 19 HA SER 19 -7.474 6.503 -0.291 155 1HB SER 19 1HB SER 19 -5.268 4.917 -0.260 156 2HB SER 19 2HB SER 19 -5.527 6.610 0.133 157 HG SER 19 HG SER 19 -5.721 6.192 2.275 158 H ARG 20 H ARG 20 -8.236 5.950 -2.095 159 HA ARG 20 HA ARG 20 -7.772 3.198 -3.189 160 1HB ARG 20 1HB ARG 20 -10.187 4.633 -3.446 161 2HB ARG 20 2HB ARG 20 -9.514 4.577 -5.066 162 1HG ARG 20 2HG ARG 20 -10.352 2.172 -3.337 163 2HG ARG 20 1HG ARG 20 -11.011 2.649 -4.904 164 1HD ARG 20 1HD ARG 20 -8.960 1.969 -6.074 165 2HD ARG 20 2HD ARG 20 -8.079 1.780 -4.564 166 1HH1 ARG 20 1HH1 ARG 20 -7.993 0.404 -6.853 167 2HH1 ARG 20 2HH1 ARG 20 -8.215 -1.346 -7.384 168 1HH2 ARG 20 1HH2 ARG 20 -10.153 -1.939 -4.671 169 2HH2 ARG 20 2HH2 ARG 20 -9.357 -2.625 -6.196 170 H THR 21 H THR 21 -5.675 3.342 -3.609 171 HA THR 21 HA THR 21 -3.752 4.488 -3.716 172 HB THR 21 HB THR 21 -3.151 5.103 -5.743 173 HG1 THR 21 HG1 THR 21 -3.861 6.869 -6.471 174 1HG2 THR 21 1HG2 THR 21 -6.147 4.177 -6.435 175 2HG2 THR 21 2HG2 THR 21 -4.744 3.933 -7.500 176 3HG2 THR 21 3HG2 THR 21 -4.889 3.008 -5.981 177 H GLY 22 H GLY 22 -5.419 5.694 -1.945 178 1HA GLY 22 1HA GLY 22 -4.476 8.544 -1.741 179 2HA GLY 22 2HA GLY 22 -5.576 7.728 -0.682 180 HA PRO 23 HA PRO 23 -2.515 5.969 -2.092 181 1HB PRO 23 1HB PRO 23 0.123 5.963 -1.926 182 2HB PRO 23 2HB PRO 23 -0.709 7.497 -1.756 183 1HG PRO 23 1HG PRO 23 0.408 5.638 0.481 184 2HG PRO 23 2HG PRO 23 0.711 7.383 0.307 185 1HD PRO 23 2HD PRO 23 -1.339 6.097 1.744 186 2HD PRO 23 1HD PRO 23 -1.335 7.881 1.426 187 H LEU 24 H LEU 24 -3.245 3.573 -2.101 188 HA LEU 24 HA LEU 24 -1.000 1.890 -1.206 189 1HB LEU 24 1HB LEU 24 -3.676 0.754 -0.544 190 2HB LEU 24 2HB LEU 24 -2.324 0.538 0.334 191 HG LEU 24 HG LEU 24 -3.584 3.369 0.254 192 1HD1 LEU 24 1HD2 LEU 24 -5.131 2.893 2.101 193 2HD1 LEU 24 2HD2 LEU 24 -5.456 1.682 0.847 194 3HD1 LEU 24 3HD2 LEU 24 -4.580 1.275 2.298 195 1HD2 LEU 24 1HD1 LEU 24 -2.193 1.827 2.567 196 2HD2 LEU 24 2HD1 LEU 24 -1.436 3.111 1.568 197 3HD2 LEU 24 3HD1 LEU 24 -2.768 3.506 2.669 198 H CYS 25 H CYS 25 -1.049 -0.586 -2.013 199 HA CYS 25 HA CYS 25 0.539 1.281 -1.876 200 1HB CYS 25 1HB CYS 25 0.449 -0.729 -0.692 201 2HB CYS 25 2HB CYS 25 2.052 -0.483 -1.434 202 HG CYS 25 HG CYS 25 0.207 1.184 0.410 203 HA PRO 26 HA PRO 26 2.816 1.722 -5.278 204 1HB PRO 26 1HB PRO 26 1.973 1.299 -7.796 205 2HB PRO 26 2HB PRO 26 2.411 -0.165 -6.885 206 1HG PRO 26 1HG PRO 26 -0.367 1.067 -7.275 207 2HG PRO 26 2HG PRO 26 0.158 -0.639 -7.451 208 1HD PRO 26 1HD PRO 26 -0.919 0.569 -5.068 209 2HD PRO 26 2HD PRO 26 -0.220 -1.091 -5.209 210 H ALA 27 H ALA 27 0.060 2.458 -3.958 211 HA ALA 27 HA ALA 27 0.296 5.312 -5.117 212 1HB ALA 27 1HB ALA 27 -1.985 4.637 -4.524 213 2HB ALA 27 2HB ALA 27 -1.464 4.054 -2.938 214 3HB ALA 27 3HB ALA 27 -1.397 5.794 -3.302 215 H CYS 28 H CYS 28 2.054 3.077 -3.406 216 HA CYS 28 HA CYS 28 2.422 4.566 -0.955 217 1HB CYS 28 1HB CYS 28 2.590 2.335 -0.550 218 2HB CYS 28 2HB CYS 28 3.578 2.040 -1.926 219 HG CYS 28 HG CYS 28 4.724 4.135 0.371 220 H MET 29 H MET 29 3.187 6.630 -1.135 221 HA MET 29 HA MET 29 6.033 7.085 -1.818 222 1HB MET 29 1HB MET 29 4.017 8.648 -2.176 223 2HB MET 29 2HB MET 29 4.061 9.008 -0.456 224 1HG MET 29 1HG MET 29 6.276 10.083 -0.661 225 2HG MET 29 2HG MET 29 6.521 9.441 -2.280 226 1HE MET 29 1HE MET 29 7.219 12.096 -1.949 227 2HE MET 29 2HE MET 29 6.821 11.990 -3.693 228 3HE MET 29 3HE MET 29 6.168 13.330 -2.706 229 H LYS 30 H LYS 30 6.358 5.265 -0.129 230 HA LYS 30 HA LYS 30 7.223 6.337 2.479 231 1HB LYS 30 1HB LYS 30 6.444 3.483 1.624 232 2HB LYS 30 2HB LYS 30 7.151 3.848 3.179 233 1HG LYS 30 1HG LYS 30 4.573 3.639 3.121 234 2HG LYS 30 2HG LYS 30 5.291 4.937 4.049 235 1HD LYS 30 1HD LYS 30 4.309 6.584 2.685 236 2HD LYS 30 2HD LYS 30 4.693 5.743 1.223 237 1HE LYS 30 1HE LYS 30 2.205 5.502 2.992 238 2HE LYS 30 2HE LYS 30 2.240 5.801 1.281 239 1HZ LYS 30 1HZ LYS 30 1.742 3.591 1.283 240 2HZ LYS 30 2HZ LYS 30 2.311 3.313 2.764 241 H ALA 31 H ALA 31 9.334 7.079 2.152 242 HA ALA 31 HA ALA 31 11.649 7.164 1.408 243 1HB ALA 31 1HB ALA 31 12.811 5.125 2.289 244 2HB ALA 31 2HB ALA 31 11.545 5.635 3.414 245 3HB ALA 31 3HB ALA 31 11.291 4.224 2.355 Start of MODEL 9 1 1H ILE 1 1H ILE 1 7.980 1.979 7.115 2 2H ILE 1 2H ILE 1 7.955 3.605 6.983 3 HA ILE 1 HA ILE 1 7.881 3.522 4.629 4 HB ILE 1 HB ILE 1 9.982 1.952 5.557 5 1HG1 ILE 1 1HG1 ILE 1 10.874 4.712 5.482 6 2HG1 ILE 1 2HG1 ILE 1 9.469 4.551 6.518 7 1HG2 ILE 1 1HG2 ILE 1 11.438 3.102 3.748 8 2HG2 ILE 1 2HG2 ILE 1 10.143 2.111 3.070 9 3HG2 ILE 1 3HG2 ILE 1 9.944 3.875 3.159 10 1HD1 ILE 1 1HD1 ILE 1 11.526 4.082 7.847 11 2HD1 ILE 1 2HD1 ILE 1 10.484 2.635 7.769 12 3HD1 ILE 1 3HD1 ILE 1 11.945 2.722 6.758 13 H CYS 2 H CYS 2 8.108 2.189 2.625 14 HA CYS 2 HA CYS 2 7.855 -0.781 2.830 15 1HB CYS 2 2HB CYS 2 5.740 -0.670 1.465 16 2HB CYS 2 1HB CYS 2 5.611 -0.144 3.136 17 HG CYS 2 HG CYS 2 4.308 1.675 2.482 18 H GLU 3 H GLU 3 9.277 -1.632 1.710 19 HA GLU 3 HA GLU 3 9.586 -1.180 -1.276 20 1HB GLU 3 1HB GLU 3 11.647 -1.944 -0.440 21 2HB GLU 3 2HB GLU 3 10.927 -2.887 0.858 22 1HG GLU 3 2HG GLU 3 10.441 -4.758 -0.733 23 2HG GLU 3 1HG GLU 3 10.781 -3.738 -2.128 24 HE2 GLU 3 HE2 GLU 3 14.262 -3.751 -0.678 25 H GLU 4 H GLU 4 9.235 -2.830 -2.806 26 HA GLU 4 HA GLU 4 6.332 -3.030 -2.626 27 1HB GLU 4 1HB GLU 4 8.187 -2.195 -4.470 28 2HB GLU 4 2HB GLU 4 7.842 -3.753 -5.185 29 1HG GLU 4 1HG GLU 4 5.223 -2.773 -4.796 30 2HG GLU 4 2HG GLU 4 6.097 -1.265 -5.044 31 HE2 GLU 4 HE2 GLU 4 5.851 -3.974 -7.994 32 HA PRO 5 HA PRO 5 5.472 -7.297 -2.611 33 1HB PRO 5 1HB PRO 5 7.157 -9.202 -1.526 34 2HB PRO 5 2HB PRO 5 7.313 -8.753 -3.234 35 1HG PRO 5 1HG PRO 5 8.944 -7.679 -0.865 36 2HG PRO 5 2HG PRO 5 9.571 -8.326 -2.396 37 1HD PRO 5 1HD PRO 5 9.145 -5.606 -1.833 38 2HD PRO 5 2HD PRO 5 9.185 -6.233 -3.518 39 H THR 6 H THR 6 6.303 -5.055 -0.833 40 HA THR 6 HA THR 6 5.167 -6.014 1.832 41 HB THR 6 HB THR 6 6.588 -3.363 1.793 42 HG1 THR 6 HG1 THR 6 8.019 -5.417 2.840 43 1HG2 THR 6 1HG2 THR 6 5.107 -4.358 3.781 44 2HG2 THR 6 2HG2 THR 6 6.489 -5.447 4.059 45 3HG2 THR 6 3HG2 THR 6 6.702 -3.690 4.183 46 H CYS 7 H CYS 7 5.076 -2.799 0.079 47 HA CYS 7 HA CYS 7 2.759 -2.310 -0.263 48 1HB CYS 7 1HB CYS 7 4.281 -2.107 -2.770 49 2HB CYS 7 2HB CYS 7 3.182 -0.905 -2.127 50 HG CYS 7 HG CYS 7 6.092 -0.732 -2.392 51 H ARG 8 H ARG 8 3.442 -4.606 -1.798 52 HA ARG 8 HA ARG 8 0.793 -5.074 -3.252 53 1HB ARG 8 1HB ARG 8 2.050 -6.221 -4.620 54 2HB ARG 8 2HB ARG 8 3.393 -6.495 -3.540 55 1HG ARG 8 1HG ARG 8 2.395 -8.539 -2.622 56 2HG ARG 8 2HG ARG 8 0.819 -8.154 -3.286 57 1HD ARG 8 1HD ARG 8 1.914 -8.378 -5.662 58 2HD ARG 8 2HD ARG 8 3.297 -9.117 -4.807 59 1HH1 ARG 8 1HH1 ARG 8 3.544 -10.553 -3.370 60 2HH1 ARG 8 2HH1 ARG 8 3.196 -12.310 -2.937 61 1HH2 ARG 8 1HH2 ARG 8 0.150 -12.086 -4.387 62 2HH2 ARG 8 2HH2 ARG 8 1.370 -13.144 -3.479 63 H ASN 9 H ASN 9 2.421 -6.246 -0.586 64 HA ASN 9 HA ASN 9 0.148 -7.190 1.054 65 1HB ASN 9 1HB ASN 9 1.978 -8.016 2.022 66 2HB ASN 9 2HB ASN 9 3.037 -6.793 1.377 67 1HD2 ASN 9 2HD2 ASN 9 4.157 -6.639 3.313 68 2HD2 ASN 9 1HD2 ASN 9 3.371 -5.851 4.776 69 H ARG 10 H ARG 10 1.388 -3.903 0.550 70 HA ARG 10 HA ARG 10 -0.888 -2.587 1.852 71 1HB ARG 10 2HB ARG 10 1.432 -0.899 0.946 72 2HB ARG 10 1HB ARG 10 0.287 -0.743 2.271 73 1HG ARG 10 1HG ARG 10 1.641 -2.640 3.500 74 2HG ARG 10 2HG ARG 10 2.854 -2.446 2.248 75 1HD ARG 10 1HD ARG 10 3.646 -0.511 3.101 76 2HD ARG 10 2HD ARG 10 2.045 0.102 3.549 77 1HH1 ARG 10 1HH1 ARG 10 2.387 1.234 5.051 78 2HH1 ARG 10 2HH1 ARG 10 2.940 1.490 6.790 79 1HH2 ARG 10 1HH2 ARG 10 3.558 -1.821 7.106 80 2HH2 ARG 10 2HH2 ARG 10 3.404 -0.181 7.950 81 H THR 11 H THR 11 -0.659 -3.293 -0.649 82 HA THR 11 HA THR 11 -2.160 -1.678 -2.205 83 HB THR 11 HB THR 11 -0.572 -3.983 -2.473 84 HG1 THR 11 HG1 THR 11 -0.800 -1.636 -3.954 85 1HG2 THR 11 1HG2 THR 11 -1.944 -4.467 -5.021 86 2HG2 THR 11 2HG2 THR 11 -2.979 -4.635 -3.571 87 3HG2 THR 11 3HG2 THR 11 -2.912 -3.162 -4.476 88 H ARG 12 H ARG 12 -1.856 -4.558 -0.840 89 HA ARG 12 HA ARG 12 -4.379 -5.641 -0.166 90 1HB ARG 12 2HB ARG 12 -2.688 -7.096 -0.374 91 2HB ARG 12 1HB ARG 12 -1.812 -5.759 0.267 92 1HG ARG 12 2HG ARG 12 -3.329 -8.081 1.732 93 2HG ARG 12 1HG ARG 12 -1.625 -7.749 1.996 94 1HD ARG 12 1HD ARG 12 -2.157 -5.767 3.308 95 2HD ARG 12 2HD ARG 12 -3.854 -5.818 2.892 96 1HH1 ARG 12 1HH1 ARG 12 -5.296 -7.384 2.916 97 2HH1 ARG 12 2HH1 ARG 12 -6.191 -8.533 4.046 98 1HH2 ARG 12 1HH2 ARG 12 -3.479 -8.712 6.058 99 2HH2 ARG 12 2HH2 ARG 12 -5.175 -9.348 5.670 100 H HIS 13 H HIS 13 -2.486 -4.261 2.315 101 HA HIS 13 HA HIS 13 -4.509 -2.490 3.225 102 1HB HIS 13 1HB HIS 13 -1.612 -1.578 3.562 103 2HB HIS 13 2HB HIS 13 -2.843 -1.460 4.785 104 HD2 HIS 13 HD2 HIS 13 -3.649 -4.600 5.058 105 HE1 HIS 13 HE1 HIS 13 0.238 -4.934 6.516 106 HE2 HIS 13 HE2 HIS 13 -2.070 -6.099 6.548 107 H LEU 14 H LEU 14 -3.403 -2.270 0.757 108 HA LEU 14 HA LEU 14 -4.819 0.010 0.379 109 1HB LEU 14 1HB LEU 14 -3.385 0.071 -1.484 110 2HB LEU 14 2HB LEU 14 -3.770 -1.593 -1.747 111 HG LEU 14 HG LEU 14 -6.135 -0.856 -2.117 112 1HD1 LEU 14 1HD1 LEU 14 -4.520 1.534 -3.110 113 2HD1 LEU 14 2HD1 LEU 14 -6.249 1.216 -3.540 114 3HD1 LEU 14 3HD1 LEU 14 -5.805 1.512 -1.848 115 1HD2 LEU 14 1HD2 LEU 14 -3.929 -0.766 -4.201 116 2HD2 LEU 14 2HD2 LEU 14 -5.020 -2.152 -3.802 117 3HD2 LEU 14 3HD2 LEU 14 -5.707 -0.748 -4.586 118 HA PRO 15 HA PRO 15 -8.725 -1.968 0.363 119 1HB PRO 15 1HB PRO 15 -7.348 -4.624 1.234 120 2HB PRO 15 2HB PRO 15 -9.133 -4.477 0.944 121 1HG PRO 15 1HG PRO 15 -7.782 -5.352 -1.263 122 2HG PRO 15 2HG PRO 15 -8.678 -3.822 -1.507 123 1HD PRO 15 1HD PRO 15 -5.747 -4.229 -0.785 124 2HD PRO 15 2HD PRO 15 -6.460 -3.097 -2.045 125 H LEU 16 H LEU 16 -6.393 -1.794 2.085 126 HA LEU 16 HA LEU 16 -7.870 -1.407 4.421 127 1HB LEU 16 1HB LEU 16 -5.459 -2.355 4.801 128 2HB LEU 16 2HB LEU 16 -4.935 -0.725 4.446 129 HG LEU 16 HG LEU 16 -6.811 -0.186 6.367 130 1HD1 LEU 16 1HD1 LEU 16 -6.440 -1.813 8.304 131 2HD1 LEU 16 2HD1 LEU 16 -7.222 -2.620 6.935 132 3HD1 LEU 16 3HD1 LEU 16 -5.489 -2.875 7.236 133 1HD2 LEU 16 1HD2 LEU 16 -4.447 0.652 6.404 134 2HD2 LEU 16 2HD2 LEU 16 -4.886 0.051 8.019 135 3HD2 LEU 16 3HD2 LEU 16 -3.861 -0.935 6.944 136 H GLN 17 H GLN 17 -8.903 -0.263 2.641 137 HA GLN 17 HA GLN 17 -7.802 2.460 1.869 138 1HB GLN 17 1HB GLN 17 -9.512 2.355 0.053 139 2HB GLN 17 2HB GLN 17 -8.337 1.073 0.012 140 1HG GLN 17 1HG GLN 17 -10.169 -0.297 -0.368 141 2HG GLN 17 2HG GLN 17 -10.353 -0.286 1.371 142 1HE2 GLN 17 2HE2 GLN 17 -11.093 2.144 -1.142 143 2HE2 GLN 17 1HE2 GLN 17 -12.886 2.206 -0.707 144 H PHE 18 H PHE 18 -8.107 3.385 3.732 145 HA PHE 18 HA PHE 18 -10.154 5.548 3.720 146 1HB PHE 18 1HB PHE 18 -7.281 4.943 4.637 147 2HB PHE 18 2HB PHE 18 -7.501 6.597 4.153 148 HD1 PHE 18 HD1 PHE 18 -9.677 7.786 5.443 149 HD2 PHE 18 HD2 PHE 18 -7.333 4.439 6.772 150 HE1 PHE 18 HE1 PHE 18 -10.410 8.194 7.654 151 HE2 PHE 18 HE2 PHE 18 -8.034 4.803 9.007 152 HZ PHE 18 HZ PHE 18 -9.487 6.817 9.600 153 H SER 19 H SER 19 -7.536 4.497 1.906 154 HA SER 19 HA SER 19 -7.443 6.596 -0.313 155 1HB SER 19 1HB SER 19 -5.204 4.956 -0.338 156 2HB SER 19 2HB SER 19 -5.456 6.682 -0.124 157 HG SER 19 HG SER 19 -5.684 4.890 2.061 158 H ARG 20 H ARG 20 -8.233 6.101 -2.142 159 HA ARG 20 HA ARG 20 -7.822 3.370 -3.321 160 1HB ARG 20 2HB ARG 20 -10.327 3.967 -3.446 161 2HB ARG 20 1HB ARG 20 -9.788 5.356 -4.370 162 1HG ARG 20 2HG ARG 20 -10.717 3.547 -5.864 163 2HG ARG 20 1HG ARG 20 -9.022 3.844 -6.254 164 1HD ARG 20 1HD ARG 20 -8.302 1.811 -5.088 165 2HD ARG 20 2HD ARG 20 -9.877 1.598 -4.336 166 1HH1 ARG 20 1HH1 ARG 20 -9.593 -0.438 -4.580 167 2HH1 ARG 20 2HH1 ARG 20 -10.016 -1.922 -5.587 168 1HH2 ARG 20 1HH2 ARG 20 -10.181 -0.014 -8.375 169 2HH2 ARG 20 2HH2 ARG 20 -10.359 -1.699 -7.627 170 H THR 21 H THR 21 -5.715 3.507 -3.696 171 HA THR 21 HA THR 21 -3.773 4.630 -3.823 172 HB THR 21 HB THR 21 -3.176 5.364 -5.859 173 HG1 THR 21 HG1 THR 21 -5.360 6.869 -5.817 174 1HG2 THR 21 1HG2 THR 21 -6.036 4.056 -6.508 175 2HG2 THR 21 2HG2 THR 21 -4.614 3.950 -7.570 176 3HG2 THR 21 3HG2 THR 21 -4.645 3.064 -6.021 177 H GLY 22 H GLY 22 -5.446 5.867 -2.080 178 1HA GLY 22 1HA GLY 22 -4.482 8.715 -1.885 179 2HA GLY 22 2HA GLY 22 -5.645 7.928 -0.872 180 HA PRO 23 HA PRO 23 -2.482 6.254 -2.184 181 1HB PRO 23 1HB PRO 23 0.149 6.392 -1.919 182 2HB PRO 23 2HB PRO 23 -0.774 7.870 -1.723 183 1HG PRO 23 1HG PRO 23 0.376 5.993 0.481 184 2HG PRO 23 2HG PRO 23 0.566 7.760 0.390 185 1HD PRO 23 2HD PRO 23 -1.448 6.265 1.681 186 2HD PRO 23 1HD PRO 23 -1.536 8.064 1.470 187 H LEU 24 H LEU 24 -3.301 3.842 -1.972 188 HA LEU 24 HA LEU 24 -0.923 2.195 -1.388 189 1HB LEU 24 1HB LEU 24 -3.562 0.980 -0.690 190 2HB LEU 24 2HB LEU 24 -2.156 0.658 0.062 191 HG LEU 24 HG LEU 24 -2.409 3.350 0.849 192 1HD1 LEU 24 1HD2 LEU 24 -4.741 3.932 1.368 193 2HD1 LEU 24 2HD2 LEU 24 -4.700 3.540 -0.361 194 3HD1 LEU 24 3HD2 LEU 24 -5.363 2.429 0.807 195 1HD2 LEU 24 1HD1 LEU 24 -3.906 0.994 2.203 196 2HD2 LEU 24 2HD1 LEU 24 -2.182 1.423 2.456 197 3HD2 LEU 24 3HD1 LEU 24 -3.463 2.515 3.008 198 H CYS 25 H CYS 25 -0.956 -0.221 -2.307 199 HA CYS 25 HA CYS 25 0.625 1.594 -2.085 200 1HB CYS 25 2HB CYS 25 0.162 -0.171 -0.735 201 2HB CYS 25 1HB CYS 25 1.485 -0.520 -1.687 202 HG CYS 25 HG CYS 25 1.192 1.987 -0.318 203 HA PRO 26 HA PRO 26 2.850 2.189 -5.431 204 1HB PRO 26 1HB PRO 26 2.104 1.729 -7.973 205 2HB PRO 26 2HB PRO 26 2.618 0.291 -7.061 206 1HG PRO 26 1HG PRO 26 -0.227 1.333 -7.516 207 2HG PRO 26 2HG PRO 26 0.419 -0.331 -7.689 208 1HD PRO 26 1HD PRO 26 -0.798 0.784 -5.324 209 2HD PRO 26 2HD PRO 26 0.011 -0.826 -5.458 210 H ALA 27 H ALA 27 0.070 2.750 -4.153 211 HA ALA 27 HA ALA 27 0.084 5.608 -5.320 212 1HB ALA 27 1HB ALA 27 -2.134 4.768 -4.697 213 2HB ALA 27 2HB ALA 27 -1.552 4.234 -3.115 214 3HB ALA 27 3HB ALA 27 -1.621 5.973 -3.487 215 H CYS 28 H CYS 28 2.001 3.515 -3.570 216 HA CYS 28 HA CYS 28 2.103 4.870 -1.060 217 1HB CYS 28 1HB CYS 28 3.401 3.249 -0.207 218 2HB CYS 28 2HB CYS 28 2.777 2.502 -1.625 219 HG CYS 28 HG CYS 28 4.922 2.908 -3.185 220 H MET 29 H MET 29 2.513 7.052 -0.878 221 HA MET 29 HA MET 29 5.326 7.970 -1.274 222 1HB MET 29 1HB MET 29 2.757 9.235 -0.174 223 2HB MET 29 2HB MET 29 4.299 10.073 -0.071 224 1HG MET 29 1HG MET 29 3.370 8.971 -2.789 225 2HG MET 29 2HG MET 29 2.639 10.443 -2.160 226 1HE MET 29 1HE MET 29 5.313 11.242 -5.024 227 2HE MET 29 2HE MET 29 3.770 10.376 -4.740 228 3HE MET 29 3HE MET 29 3.895 12.123 -4.380 229 H LYS 30 H LYS 30 5.864 5.971 0.136 230 HA LYS 30 HA LYS 30 6.600 6.881 2.841 231 1HB LYS 30 1HB LYS 30 6.533 4.060 1.609 232 2HB LYS 30 2HB LYS 30 7.209 4.394 3.185 233 1HG LYS 30 1HG LYS 30 5.010 3.600 3.645 234 2HG LYS 30 2HG LYS 30 5.011 5.313 4.001 235 1HD LYS 30 1HD LYS 30 4.053 5.475 1.434 236 2HD LYS 30 2HD LYS 30 3.691 3.802 1.675 237 1HE LYS 30 1HE LYS 30 2.275 6.216 2.661 238 2HE LYS 30 2HE LYS 30 1.625 4.612 2.501 239 1HZ LYS 30 1HZ LYS 30 3.158 5.805 4.761 240 2HZ LYS 30 2HZ LYS 30 3.082 4.201 4.648 241 H ALA 31 H ALA 31 8.892 4.732 2.705 242 HA ALA 31 HA ALA 31 10.996 6.865 2.026 243 1HB ALA 31 1HB ALA 31 12.423 5.900 3.848 244 2HB ALA 31 2HB ALA 31 10.899 6.493 4.521 245 3HB ALA 31 3HB ALA 31 11.161 4.745 4.296 Start of MODEL 10 1 1H ILE 1 1H ILE 1 9.501 4.000 3.657 2 2H ILE 1 2H ILE 1 10.213 4.096 5.122 3 HA ILE 1 HA ILE 1 9.990 1.813 5.538 4 HB ILE 1 HB ILE 1 7.874 3.482 5.125 5 1HG1 ILE 1 1HG1 ILE 1 8.224 2.020 7.718 6 2HG1 ILE 1 2HG1 ILE 1 9.419 3.202 7.220 7 1HG2 ILE 1 1HG2 ILE 1 6.040 1.878 5.999 8 2HG2 ILE 1 2HG2 ILE 1 6.593 1.447 4.379 9 3HG2 ILE 1 3HG2 ILE 1 7.200 0.542 5.782 10 1HD1 ILE 1 1HD1 ILE 1 7.632 4.345 8.529 11 2HD1 ILE 1 2HD1 ILE 1 7.676 4.961 6.855 12 3HD1 ILE 1 3HD1 ILE 1 6.397 3.825 7.340 13 H CYS 2 H CYS 2 8.016 2.283 2.702 14 HA CYS 2 HA CYS 2 7.026 0.047 2.127 15 1HB CYS 2 2HB CYS 2 7.421 2.086 0.517 16 2HB CYS 2 1HB CYS 2 8.401 0.927 -0.368 17 HG CYS 2 HG CYS 2 5.864 -0.604 0.521 18 H GLU 3 H GLU 3 9.869 -0.334 0.026 19 HA GLU 3 HA GLU 3 10.095 -2.332 -1.303 20 1HB GLU 3 1HB GLU 3 11.693 -3.114 0.155 21 2HB GLU 3 2HB GLU 3 10.738 -2.738 1.584 22 1HG GLU 3 2HG GLU 3 9.488 -4.977 1.247 23 2HG GLU 3 1HG GLU 3 10.462 -5.283 -0.188 24 HE2 GLU 3 HE2 GLU 3 11.815 -6.885 2.810 25 H GLU 4 H GLU 4 9.169 -3.721 -2.481 26 HA GLU 4 HA GLU 4 6.290 -3.574 -2.131 27 1HB GLU 4 1HB GLU 4 7.991 -4.661 -4.475 28 2HB GLU 4 2HB GLU 4 6.292 -4.265 -4.602 29 1HG GLU 4 1HG GLU 4 7.106 -1.800 -3.762 30 2HG GLU 4 2HG GLU 4 8.693 -2.350 -4.291 31 HE2 GLU 4 HE2 GLU 4 6.568 -2.849 -7.467 32 HA PRO 5 HA PRO 5 4.938 -7.637 -1.360 33 1HB PRO 5 1HB PRO 5 6.397 -9.449 0.137 34 2HB PRO 5 2HB PRO 5 6.626 -9.357 -1.619 35 1HG PRO 5 1HG PRO 5 8.315 -7.990 0.552 36 2HG PRO 5 2HG PRO 5 8.902 -9.004 -0.783 37 1HD PRO 5 2HD PRO 5 8.816 -6.186 -0.893 38 2HD PRO 5 1HD PRO 5 8.687 -7.241 -2.343 39 H THR 6 H THR 6 5.930 -5.183 0.001 40 HA THR 6 HA THR 6 4.598 -5.533 2.732 41 HB THR 6 HB THR 6 5.952 -2.922 2.084 42 HG1 THR 6 HG1 THR 6 7.215 -4.975 3.534 43 1HG2 THR 6 1HG2 THR 6 4.950 -4.405 4.570 44 2HG2 THR 6 2HG2 THR 6 6.337 -3.302 4.746 45 3HG2 THR 6 3HG2 THR 6 4.782 -2.688 4.153 46 H CYS 7 H CYS 7 4.648 -2.935 0.303 47 HA CYS 7 HA CYS 7 2.403 -2.263 -0.302 48 1HB CYS 7 2HB CYS 7 3.983 -0.891 -0.937 49 2HB CYS 7 1HB CYS 7 5.033 -2.225 -1.370 50 HG CYS 7 HG CYS 7 4.693 -2.419 -3.725 51 H ARG 8 H ARG 8 3.134 -4.693 -1.656 52 HA ARG 8 HA ARG 8 0.610 -5.182 -3.333 53 1HB ARG 8 2HB ARG 8 2.849 -7.209 -2.974 54 2HB ARG 8 1HB ARG 8 1.363 -7.235 -3.963 55 1HG ARG 8 2HG ARG 8 2.330 -5.371 -5.397 56 2HG ARG 8 1HG ARG 8 3.820 -5.425 -4.472 57 1HD ARG 8 1HD ARG 8 4.371 -7.663 -5.298 58 2HD ARG 8 2HD ARG 8 2.723 -7.895 -5.947 59 1HH1 ARG 8 1HH1 ARG 8 4.872 -8.811 -7.027 60 2HH1 ARG 8 2HH1 ARG 8 5.642 -8.703 -8.697 61 1HH2 ARG 8 1HH2 ARG 8 4.135 -5.715 -9.208 62 2HH2 ARG 8 2HH2 ARG 8 5.223 -7.047 -9.895 63 H ASN 9 H ASN 9 2.230 -6.364 -0.686 64 HA ASN 9 HA ASN 9 0.038 -7.226 1.122 65 1HB ASN 9 2HB ASN 9 2.949 -6.496 1.492 66 2HB ASN 9 1HB ASN 9 1.833 -6.699 2.850 67 1HD2 ASN 9 2HD2 ASN 9 2.868 -8.531 3.606 68 2HD2 ASN 9 1HD2 ASN 9 2.765 -10.107 2.663 69 H ARG 10 H ARG 10 1.227 -4.021 0.328 70 HA ARG 10 HA ARG 10 -0.889 -2.552 1.753 71 1HB ARG 10 2HB ARG 10 1.424 -0.964 0.581 72 2HB ARG 10 1HB ARG 10 0.274 -0.649 1.850 73 1HG ARG 10 1HG ARG 10 1.728 -2.588 3.170 74 2HG ARG 10 2HG ARG 10 2.967 -2.044 2.056 75 1HD ARG 10 1HD ARG 10 2.722 0.275 2.840 76 2HD ARG 10 2HD ARG 10 1.423 -0.213 3.942 77 1HH1 ARG 10 1HH1 ARG 10 1.591 0.343 5.668 78 2HH1 ARG 10 2HH1 ARG 10 2.411 0.274 7.317 79 1HH2 ARG 10 1HH2 ARG 10 5.058 -1.338 5.959 80 2HH2 ARG 10 2HH2 ARG 10 4.307 -0.571 7.468 81 H THR 11 H THR 11 -0.863 -3.366 -0.732 82 HA THR 11 HA THR 11 -2.440 -1.766 -2.235 83 HB THR 11 HB THR 11 -0.832 -4.046 -2.554 84 HG1 THR 11 HG1 THR 11 -0.520 -1.849 -3.572 85 1HG2 THR 11 1HG2 THR 11 -2.367 -4.644 -4.985 86 2HG2 THR 11 2HG2 THR 11 -3.296 -4.793 -3.462 87 3HG2 THR 11 3HG2 THR 11 -3.330 -3.347 -4.411 88 H ARG 12 H ARG 12 -2.057 -4.633 -0.829 89 HA ARG 12 HA ARG 12 -4.540 -5.640 0.056 90 1HB ARG 12 2HB ARG 12 -2.885 -7.125 -0.242 91 2HB ARG 12 1HB ARG 12 -1.954 -5.793 0.328 92 1HG ARG 12 1HG ARG 12 -3.331 -8.130 1.912 93 2HG ARG 12 2HG ARG 12 -1.638 -7.688 2.071 94 1HD ARG 12 1HD ARG 12 -2.113 -5.838 3.462 95 2HD ARG 12 2HD ARG 12 -3.801 -5.745 3.021 96 1HH1 ARG 12 1HH1 ARG 12 -0.933 -6.692 4.627 97 2HH1 ARG 12 2HH1 ARG 12 -0.664 -7.684 6.156 98 1HH2 ARG 12 1HH2 ARG 12 -3.889 -8.701 6.096 99 2HH2 ARG 12 2HH2 ARG 12 -2.256 -8.748 6.967 100 H HIS 13 H HIS 13 -2.466 -4.290 2.387 101 HA HIS 13 HA HIS 13 -4.393 -2.418 3.358 102 1HB HIS 13 1HB HIS 13 -1.264 -2.229 3.504 103 2HB HIS 13 2HB HIS 13 -2.270 -1.036 4.273 104 HD2 HIS 13 HD2 HIS 13 -1.948 -4.957 4.739 105 HE1 HIS 13 HE1 HIS 13 -1.688 -3.134 8.471 106 HE2 HIS 13 HE2 HIS 13 -1.568 -5.437 7.303 107 H LEU 14 H LEU 14 -3.460 -2.248 0.827 108 HA LEU 14 HA LEU 14 -4.882 0.012 0.494 109 1HB LEU 14 1HB LEU 14 -3.592 -0.021 -1.510 110 2HB LEU 14 2HB LEU 14 -4.059 -1.673 -1.709 111 HG LEU 14 HG LEU 14 -6.415 -0.884 -1.876 112 1HD1 LEU 14 1HD1 LEU 14 -4.857 1.501 -2.973 113 2HD1 LEU 14 2HD1 LEU 14 -6.620 1.212 -3.259 114 3HD1 LEU 14 3HD1 LEU 14 -6.029 1.471 -1.606 115 1HD2 LEU 14 1HD2 LEU 14 -4.405 -0.791 -4.155 116 2HD2 LEU 14 2HD2 LEU 14 -5.473 -2.170 -3.681 117 3HD2 LEU 14 3HD2 LEU 14 -6.210 -0.747 -4.379 118 HA PRO 15 HA PRO 15 -8.806 -1.945 0.807 119 1HB PRO 15 1HB PRO 15 -7.347 -4.570 1.654 120 2HB PRO 15 2HB PRO 15 -9.151 -4.441 1.509 121 1HG PRO 15 1HG PRO 15 -7.985 -5.377 -0.776 122 2HG PRO 15 2HG PRO 15 -8.906 -3.858 -0.990 123 1HD PRO 15 1HD PRO 15 -5.923 -4.239 -0.506 124 2HD PRO 15 2HD PRO 15 -6.741 -3.131 -1.728 125 H LEU 16 H LEU 16 -6.374 -1.696 2.368 126 HA LEU 16 HA LEU 16 -7.709 -1.265 4.781 127 1HB LEU 16 1HB LEU 16 -5.006 -1.823 4.732 128 2HB LEU 16 2HB LEU 16 -4.983 -0.077 4.817 129 HG LEU 16 HG LEU 16 -6.798 -1.406 6.803 130 1HD1 LEU 16 1HD2 LEU 16 -3.734 -1.633 7.048 131 2HD1 LEU 16 2HD2 LEU 16 -4.864 -1.952 8.383 132 3HD1 LEU 16 3HD2 LEU 16 -4.883 -2.982 6.928 133 1HD2 LEU 16 1HD1 LEU 16 -5.693 0.272 8.394 134 2HD2 LEU 16 2HD1 LEU 16 -4.613 0.795 7.091 135 3HD2 LEU 16 3HD1 LEU 16 -6.362 1.077 6.953 136 H GLN 17 H GLN 17 -8.996 -0.254 3.090 137 HA GLN 17 HA GLN 17 -8.078 2.476 2.147 138 1HB GLN 17 1HB GLN 17 -9.165 2.065 0.179 139 2HB GLN 17 2HB GLN 17 -8.695 0.453 0.632 140 1HG GLN 17 1HG GLN 17 -11.187 0.248 1.639 141 2HG GLN 17 2HG GLN 17 -11.545 1.641 0.645 142 1HE2 GLN 17 2HE2 GLN 17 -9.834 0.917 -1.562 143 2HE2 GLN 17 1HE2 GLN 17 -10.600 -0.591 -2.308 144 H PHE 18 H PHE 18 -8.514 3.447 4.025 145 HA PHE 18 HA PHE 18 -10.664 5.496 3.801 146 1HB PHE 18 1HB PHE 18 -8.068 4.972 5.183 147 2HB PHE 18 2HB PHE 18 -7.873 6.453 4.295 148 HD1 PHE 18 HD1 PHE 18 -9.032 4.939 7.291 149 HD2 PHE 18 HD2 PHE 18 -9.149 8.492 4.877 150 HE1 PHE 18 HE1 PHE 18 -9.042 6.236 9.261 151 HE2 PHE 18 HE2 PHE 18 -9.165 9.843 6.824 152 HZ PHE 18 HZ PHE 18 -9.216 8.781 9.144 153 H SER 19 H SER 19 -7.895 4.513 2.197 154 HA SER 19 HA SER 19 -7.720 6.532 -0.087 155 1HB SER 19 1HB SER 19 -5.456 5.026 -0.062 156 2HB SER 19 2HB SER 19 -5.782 6.705 0.342 157 HG SER 19 HG SER 19 -6.207 6.069 2.526 158 H ARG 20 H ARG 20 -8.476 5.993 -1.886 159 HA ARG 20 HA ARG 20 -8.001 3.269 -3.062 160 1HB ARG 20 2HB ARG 20 -10.535 3.913 -3.183 161 2HB ARG 20 1HB ARG 20 -9.952 5.212 -4.200 162 1HG ARG 20 1HG ARG 20 -10.933 3.240 -5.522 163 2HG ARG 20 2HG ARG 20 -9.280 3.636 -5.984 164 1HD ARG 20 1HD ARG 20 -8.577 1.763 -4.225 165 2HD ARG 20 2HD ARG 20 -10.255 1.250 -4.344 166 1HH1 ARG 20 1HH1 ARG 20 -9.965 -0.659 -4.639 167 2HH1 ARG 20 2HH1 ARG 20 -9.917 -1.999 -5.904 168 1HH2 ARG 20 1HH2 ARG 20 -8.200 0.052 -7.989 169 2HH2 ARG 20 2HH2 ARG 20 -8.865 -1.650 -7.682 170 H THR 21 H THR 21 -5.887 3.519 -3.319 171 HA THR 21 HA THR 21 -3.967 4.626 -3.525 172 HB THR 21 HB THR 21 -3.400 5.399 -5.547 173 HG1 THR 21 HG1 THR 21 -4.423 6.731 -6.808 174 1HG2 THR 21 1HG2 THR 21 -6.291 4.156 -6.191 175 2HG2 THR 21 2HG2 THR 21 -4.887 4.060 -7.278 176 3HG2 THR 21 3HG2 THR 21 -4.909 3.129 -5.755 177 H GLY 22 H GLY 22 -5.590 5.815 -1.705 178 1HA GLY 22 1HA GLY 22 -4.654 8.656 -1.454 179 2HA GLY 22 2HA GLY 22 -5.696 7.796 -0.371 180 HA PRO 23 HA PRO 23 -2.631 6.213 -1.973 181 1HB PRO 23 1HB PRO 23 0.015 6.333 -1.924 182 2HB PRO 23 2HB PRO 23 -0.887 7.812 -1.652 183 1HG PRO 23 1HG PRO 23 0.438 5.931 0.448 184 2HG PRO 23 2HG PRO 23 0.620 7.699 0.344 185 1HD PRO 23 2HD PRO 23 -1.276 6.207 1.800 186 2HD PRO 23 1HD PRO 23 -1.387 8.003 1.589 187 H LEU 24 H LEU 24 -3.329 3.817 -1.955 188 HA LEU 24 HA LEU 24 -1.000 2.109 -1.339 189 1HB LEU 24 1HB LEU 24 -3.818 1.407 -0.389 190 2HB LEU 24 2HB LEU 24 -2.529 0.502 0.021 191 HG LEU 24 HG LEU 24 -2.697 3.489 0.903 192 1HD1 LEU 24 1HD2 LEU 24 -3.774 2.869 3.017 193 2HD1 LEU 24 2HD2 LEU 24 -4.773 2.176 1.725 194 3HD1 LEU 24 3HD2 LEU 24 -3.715 1.181 2.688 195 1HD2 LEU 24 1HD1 LEU 24 -1.282 1.076 2.249 196 2HD2 LEU 24 2HD1 LEU 24 -0.465 2.383 1.330 197 3HD2 LEU 24 3HD1 LEU 24 -1.265 2.741 2.870 198 H CYS 25 H CYS 25 -1.188 -0.342 -2.138 199 HA CYS 25 HA CYS 25 0.486 1.430 -2.253 200 1HB CYS 25 1HB CYS 25 0.522 -0.430 -0.941 201 2HB CYS 25 2HB CYS 25 1.687 -0.674 -2.225 202 HG CYS 25 HG CYS 25 1.237 1.565 -0.206 203 HA PRO 26 HA PRO 26 2.062 1.934 -6.023 204 1HB PRO 26 1HB PRO 26 0.735 1.611 -8.348 205 2HB PRO 26 2HB PRO 26 1.309 0.114 -7.576 206 1HG PRO 26 1HG PRO 26 -1.470 1.388 -7.427 207 2HG PRO 26 2HG PRO 26 -1.009 -0.326 -7.686 208 1HD PRO 26 1HD PRO 26 -1.599 0.939 -5.149 209 2HD PRO 26 2HD PRO 26 -1.041 -0.759 -5.401 210 H ALA 27 H ALA 27 -0.327 2.697 -4.190 211 HA ALA 27 HA ALA 27 -0.128 5.587 -5.268 212 1HB ALA 27 1HB ALA 27 -2.382 5.021 -4.488 213 2HB ALA 27 2HB ALA 27 -1.755 4.339 -2.981 214 3HB ALA 27 3HB ALA 27 -1.614 6.087 -3.284 215 H CYS 28 H CYS 28 1.734 3.248 -3.991 216 HA CYS 28 HA CYS 28 2.622 4.446 -1.543 217 1HB CYS 28 1HB CYS 28 4.101 2.725 -1.180 218 2HB CYS 28 2HB CYS 28 2.857 2.086 -2.181 219 HG CYS 28 HG CYS 28 6.019 2.339 -2.610 220 H MET 29 H MET 29 3.580 6.147 -0.988 221 HA MET 29 HA MET 29 6.016 7.186 -2.454 222 1HB MET 29 1HB MET 29 3.613 8.864 -1.575 223 2HB MET 29 2HB MET 29 5.217 9.579 -1.656 224 1HG MET 29 1HG MET 29 5.182 8.473 -4.166 225 2HG MET 29 2HG MET 29 3.441 8.543 -3.920 226 1HE MET 29 1HE MET 29 2.035 10.771 -4.590 227 2HE MET 29 2HE MET 29 2.266 10.667 -2.816 228 3HE MET 29 3HE MET 29 2.501 12.226 -3.660 229 H LYS 30 H LYS 30 6.468 5.491 -0.684 230 HA LYS 30 HA LYS 30 7.127 6.742 1.902 231 1HB LYS 30 1HB LYS 30 7.248 3.717 1.549 232 2HB LYS 30 2HB LYS 30 6.818 4.673 2.946 233 1HG LYS 30 1HG LYS 30 5.016 3.843 0.663 234 2HG LYS 30 2HG LYS 30 4.760 3.758 2.391 235 1HD LYS 30 1HD LYS 30 4.854 6.548 1.991 236 2HD LYS 30 2HD LYS 30 4.288 6.038 0.439 237 1HE LYS 30 1HE LYS 30 2.347 6.598 1.809 238 2HE LYS 30 2HE LYS 30 2.261 4.874 1.611 239 1HZ LYS 30 1HZ LYS 30 3.672 4.965 3.856 240 2HZ LYS 30 2HZ LYS 30 2.063 5.043 3.869 241 H ALA 31 H ALA 31 9.029 5.498 3.066 242 HA ALA 31 HA ALA 31 11.477 5.421 3.317 243 1HB ALA 31 1HB ALA 31 12.213 3.573 1.787 244 2HB ALA 31 2HB ALA 31 10.593 3.235 2.410 245 3HB ALA 31 3HB ALA 31 10.810 3.813 0.738 Start of MODEL 11 1 1H ILE 1 1H ILE 1 9.546 2.744 4.347 2 2H ILE 1 2H ILE 1 9.396 2.661 5.970 3 HA ILE 1 HA ILE 1 7.734 1.029 5.877 4 HB ILE 1 HB ILE 1 7.453 3.493 4.715 5 1HG1 ILE 1 1HG1 ILE 1 5.695 2.687 6.998 6 2HG1 ILE 1 2HG1 ILE 1 7.424 2.809 7.264 7 1HG2 ILE 1 1HG2 ILE 1 4.870 3.371 4.484 8 2HG2 ILE 1 2HG2 ILE 1 5.700 2.389 3.275 9 3HG2 ILE 1 3HG2 ILE 1 5.003 1.608 4.711 10 1HD1 ILE 1 1HD1 ILE 1 6.371 5.030 7.681 11 2HD1 ILE 1 2HD1 ILE 1 7.510 5.122 6.311 12 3HD1 ILE 1 3HD1 ILE 1 5.760 5.082 5.998 13 H CYS 2 H CYS 2 7.814 1.970 2.434 14 HA CYS 2 HA CYS 2 8.281 -0.912 1.740 15 1HB CYS 2 2HB CYS 2 6.981 0.659 -0.320 16 2HB CYS 2 1HB CYS 2 6.501 -0.873 0.401 17 HG CYS 2 HG CYS 2 5.005 -0.208 2.091 18 H GLU 3 H GLU 3 10.181 -0.357 -1.319 19 HA GLU 3 HA GLU 3 10.678 -2.647 -0.819 20 1HB GLU 3 1HB GLU 3 10.396 -1.655 1.725 21 2HB GLU 3 2HB GLU 3 8.926 -2.621 1.693 22 1HG GLU 3 2HG GLU 3 10.263 -4.707 1.392 23 2HG GLU 3 1HG GLU 3 11.716 -3.795 0.995 24 HE2 GLU 3 HE2 GLU 3 11.648 -2.624 4.499 25 H GLU 4 H GLU 4 9.910 -3.974 -2.198 26 HA GLU 4 HA GLU 4 6.991 -4.012 -2.678 27 1HB GLU 4 1HB GLU 4 9.568 -4.601 -4.123 28 2HB GLU 4 2HB GLU 4 8.231 -5.577 -4.687 29 1HG GLU 4 1HG GLU 4 6.892 -3.346 -5.058 30 2HG GLU 4 2HG GLU 4 8.368 -2.468 -4.666 31 HE2 GLU 4 HE2 GLU 4 9.858 -3.108 -7.676 32 HA PRO 5 HA PRO 5 5.850 -7.923 -1.244 33 1HB PRO 5 1HB PRO 5 7.244 -9.422 0.615 34 2HB PRO 5 2HB PRO 5 7.617 -9.589 -1.110 35 1HG PRO 5 1HG PRO 5 9.093 -7.887 0.969 36 2HG PRO 5 2HG PRO 5 9.805 -9.007 -0.210 37 1HD PRO 5 2HD PRO 5 9.559 -6.192 -0.591 38 2HD PRO 5 1HD PRO 5 9.718 -7.394 -1.918 39 H THR 6 H THR 6 6.674 -5.214 -0.263 40 HA THR 6 HA THR 6 4.999 -5.281 2.277 41 HB THR 6 HB THR 6 6.342 -2.683 1.538 42 HG1 THR 6 HG1 THR 6 7.456 -4.940 2.767 43 1HG2 THR 6 1HG2 THR 6 5.044 -2.135 3.400 44 2HG2 THR 6 2HG2 THR 6 4.832 -3.835 3.888 45 3HG2 THR 6 3HG2 THR 6 6.310 -2.961 4.332 46 H CYS 7 H CYS 7 5.264 -2.890 -0.416 47 HA CYS 7 HA CYS 7 3.071 -2.513 -1.349 48 1HB CYS 7 1HB CYS 7 5.631 -2.766 -2.677 49 2HB CYS 7 2HB CYS 7 4.276 -2.170 -3.643 50 HG CYS 7 HG CYS 7 6.226 -0.476 -2.470 51 H ARG 8 H ARG 8 3.821 -5.213 -2.068 52 HA ARG 8 HA ARG 8 1.113 -5.681 -3.416 53 1HB ARG 8 1HB ARG 8 2.040 -7.345 -4.506 54 2HB ARG 8 2HB ARG 8 3.454 -7.518 -3.499 55 1HG ARG 8 1HG ARG 8 2.379 -9.158 -2.045 56 2HG ARG 8 2HG ARG 8 0.775 -8.713 -2.595 57 1HD ARG 8 1HD ARG 8 1.374 -9.648 -4.923 58 2HD ARG 8 2HD ARG 8 2.894 -10.250 -4.204 59 1HH1 ARG 8 1HH1 ARG 8 3.525 -11.703 -3.320 60 2HH1 ARG 8 2HH1 ARG 8 3.296 -13.396 -2.629 61 1HH2 ARG 8 1HH2 ARG 8 -0.057 -12.955 -2.590 62 2HH2 ARG 8 2HH2 ARG 8 1.376 -14.052 -2.177 63 H ASN 9 H ASN 9 2.604 -6.440 -0.555 64 HA ASN 9 HA ASN 9 0.235 -6.859 1.149 65 1HB ASN 9 1HB ASN 9 2.012 -7.593 2.278 66 2HB ASN 9 2HB ASN 9 3.136 -6.489 1.534 67 1HD2 ASN 9 2HD2 ASN 9 2.868 -7.288 4.305 68 2HD2 ASN 9 1HD2 ASN 9 2.600 -5.707 5.204 69 H ARG 10 H ARG 10 1.521 -3.648 -0.134 70 HA ARG 10 HA ARG 10 -0.634 -2.348 1.354 71 1HB ARG 10 2HB ARG 10 0.829 -0.123 1.016 72 2HB ARG 10 1HB ARG 10 1.388 -1.431 2.020 73 1HG ARG 10 1HG ARG 10 3.035 -0.509 -0.127 74 2HG ARG 10 2HG ARG 10 2.941 -2.185 0.290 75 1HD ARG 10 1HD ARG 10 1.742 -2.672 -1.562 76 2HD ARG 10 2HD ARG 10 0.700 -1.247 -1.408 77 1HH1 ARG 10 1HH1 ARG 10 0.368 -1.709 -3.541 78 2HH1 ARG 10 2HH1 ARG 10 0.959 -1.662 -5.294 79 1HH2 ARG 10 1HH2 ARG 10 3.777 -0.095 -4.263 80 2HH2 ARG 10 2HH2 ARG 10 2.808 -0.777 -5.688 81 H THR 11 H THR 11 -0.467 -3.156 -1.248 82 HA THR 11 HA THR 11 -2.228 -1.524 -2.468 83 HB THR 11 HB THR 11 -0.515 -3.419 -3.229 84 HG1 THR 11 HG1 THR 11 -1.912 -1.463 -4.552 85 1HG2 THR 11 1HG2 THR 11 -2.317 -4.770 -5.089 86 2HG2 THR 11 2HG2 THR 11 -2.683 -5.011 -3.353 87 3HG2 THR 11 3HG2 THR 11 -3.482 -3.798 -4.292 88 H ARG 12 H ARG 12 -1.753 -4.442 -1.188 89 HA ARG 12 HA ARG 12 -4.172 -5.595 -0.296 90 1HB ARG 12 2HB ARG 12 -2.389 -6.952 -0.604 91 2HB ARG 12 1HB ARG 12 -1.585 -5.559 0.003 92 1HG ARG 12 2HG ARG 12 -3.091 -7.873 1.546 93 2HG ARG 12 1HG ARG 12 -1.350 -7.731 1.660 94 1HD ARG 12 1HD ARG 12 -1.516 -5.823 3.121 95 2HD ARG 12 2HD ARG 12 -3.203 -5.536 2.764 96 1HH1 ARG 12 1HH1 ARG 12 -0.353 -7.329 3.844 97 2HH1 ARG 12 2HH1 ARG 12 -0.131 -8.437 5.299 98 1HH2 ARG 12 1HH2 ARG 12 -3.435 -8.208 5.991 99 2HH2 ARG 12 2HH2 ARG 12 -1.794 -8.928 6.458 100 H HIS 13 H HIS 13 -2.351 -4.163 2.194 101 HA HIS 13 HA HIS 13 -4.276 -2.435 3.091 102 1HB HIS 13 1HB HIS 13 -1.392 -1.478 3.335 103 2HB HIS 13 2HB HIS 13 -2.597 -1.332 4.581 104 HD2 HIS 13 HD2 HIS 13 0.484 -2.539 4.934 105 HE1 HIS 13 HE1 HIS 13 -1.598 -5.913 6.222 106 HE2 HIS 13 HE2 HIS 13 0.756 -4.827 6.235 107 H LEU 14 H LEU 14 -3.286 -2.165 0.591 108 HA LEU 14 HA LEU 14 -4.758 0.103 0.304 109 1HB LEU 14 1HB LEU 14 -3.450 0.139 -1.645 110 2HB LEU 14 2HB LEU 14 -3.864 -1.522 -1.880 111 HG LEU 14 HG LEU 14 -6.233 -0.793 -2.103 112 1HD1 LEU 14 1HD1 LEU 14 -4.712 1.639 -3.141 113 2HD1 LEU 14 2HD1 LEU 14 -6.461 1.309 -3.469 114 3HD1 LEU 14 3HD1 LEU 14 -5.914 1.571 -1.801 115 1HD2 LEU 14 1HD2 LEU 14 -4.170 -0.627 -4.323 116 2HD2 LEU 14 2HD2 LEU 14 -5.213 -2.038 -3.889 117 3HD2 LEU 14 3HD2 LEU 14 -5.968 -0.627 -4.594 118 HA PRO 15 HA PRO 15 -8.683 -1.859 0.561 119 1HB PRO 15 1HB PRO 15 -7.287 -4.509 1.370 120 2HB PRO 15 2HB PRO 15 -9.083 -4.350 1.172 121 1HG PRO 15 1HG PRO 15 -7.856 -5.264 -1.090 122 2HG PRO 15 2HG PRO 15 -8.752 -3.731 -1.308 123 1HD PRO 15 1HD PRO 15 -5.791 -4.152 -0.720 124 2HD PRO 15 2HD PRO 15 -6.545 -3.036 -1.970 125 H LEU 16 H LEU 16 -6.256 -1.659 2.139 126 HA LEU 16 HA LEU 16 -7.618 -1.285 4.577 127 1HB LEU 16 1HB LEU 16 -4.902 -1.872 4.493 128 2HB LEU 16 2HB LEU 16 -4.870 -0.130 4.649 129 HG LEU 16 HG LEU 16 -6.640 -1.610 6.596 130 1HD1 LEU 16 1HD2 LEU 16 -3.565 -1.621 6.809 131 2HD1 LEU 16 2HD2 LEU 16 -4.656 -2.068 8.140 132 3HD1 LEU 16 3HD2 LEU 16 -4.614 -3.045 6.649 133 1HD2 LEU 16 1HD1 LEU 16 -5.647 0.096 8.234 134 2HD2 LEU 16 2HD1 LEU 16 -4.618 0.736 6.942 135 3HD2 LEU 16 3HD1 LEU 16 -6.384 0.896 6.823 136 H GLN 17 H GLN 17 -8.848 -0.211 2.875 137 HA GLN 17 HA GLN 17 -7.943 2.575 2.092 138 1HB GLN 17 1HB GLN 17 -9.527 2.344 0.224 139 2HB GLN 17 2HB GLN 17 -8.366 1.050 0.269 140 1HG GLN 17 1HG GLN 17 -10.099 -0.436 0.025 141 2HG GLN 17 2HG GLN 17 -10.595 -0.091 1.666 142 1HE2 GLN 17 2HE2 GLN 17 -12.380 -0.900 -0.187 143 2HE2 GLN 17 1HE2 GLN 17 -13.470 0.517 -0.649 144 H PHE 18 H PHE 18 -8.388 3.322 4.099 145 HA PHE 18 HA PHE 18 -10.494 5.428 4.057 146 1HB PHE 18 1HB PHE 18 -7.689 4.846 5.174 147 2HB PHE 18 2HB PHE 18 -7.939 6.523 4.795 148 HD1 PHE 18 HD1 PHE 18 -8.714 3.829 7.105 149 HD2 PHE 18 HD2 PHE 18 -9.172 7.997 6.168 150 HE1 PHE 18 HE1 PHE 18 -8.735 4.310 9.414 151 HE2 PHE 18 HE2 PHE 18 -9.206 8.537 8.474 152 HZ PHE 18 HZ PHE 18 -9.033 6.706 10.241 153 H SER 19 H SER 19 -7.692 4.590 2.393 154 HA SER 19 HA SER 19 -7.627 6.745 0.226 155 1HB SER 19 1HB SER 19 -5.349 5.160 0.186 156 2HB SER 19 2HB SER 19 -5.646 6.874 0.435 157 HG SER 19 HG SER 19 -5.855 5.035 2.582 158 H ARG 20 H ARG 20 -8.416 6.281 -1.598 159 HA ARG 20 HA ARG 20 -7.954 3.603 -2.880 160 1HB ARG 20 1HB ARG 20 -10.296 5.273 -3.107 161 2HB ARG 20 2HB ARG 20 -9.685 4.914 -4.707 162 1HG ARG 20 1HG ARG 20 -10.593 2.804 -2.628 163 2HG ARG 20 2HG ARG 20 -11.478 3.291 -4.071 164 1HD ARG 20 1HD ARG 20 -9.474 2.441 -5.477 165 2HD ARG 20 2HD ARG 20 -8.789 1.798 -3.991 166 1HH1 ARG 20 1HH1 ARG 20 -8.976 0.742 -6.454 167 2HH1 ARG 20 2HH1 ARG 20 -9.668 -0.803 -7.181 168 1HH2 ARG 20 1HH2 ARG 20 -11.664 -1.180 -4.469 169 2HH2 ARG 20 2HH2 ARG 20 -11.048 -1.902 -6.059 170 H THR 21 H THR 21 -5.845 3.866 -3.166 171 HA THR 21 HA THR 21 -3.934 4.997 -3.358 172 HB THR 21 HB THR 21 -3.395 5.799 -5.375 173 HG1 THR 21 HG1 THR 21 -4.589 7.003 -6.746 174 1HG2 THR 21 1HG2 THR 21 -6.291 4.561 -6.005 175 2HG2 THR 21 2HG2 THR 21 -4.900 4.485 -7.110 176 3HG2 THR 21 3HG2 THR 21 -4.902 3.529 -5.603 177 H GLY 22 H GLY 22 -5.565 6.141 -1.515 178 1HA GLY 22 1HA GLY 22 -4.615 8.979 -1.205 179 2HA GLY 22 2HA GLY 22 -5.696 8.115 -0.163 180 HA PRO 23 HA PRO 23 -2.616 6.545 -1.745 181 1HB PRO 23 1HB PRO 23 0.022 6.575 -1.623 182 2HB PRO 23 2HB PRO 23 -0.827 8.073 -1.289 183 1HG PRO 23 1HG PRO 23 0.307 6.002 0.750 184 2HG PRO 23 2HG PRO 23 0.649 7.748 0.726 185 1HD PRO 23 1HD PRO 23 -1.493 6.539 2.197 186 2HD PRO 23 2HD PRO 23 -1.278 8.274 1.726 187 H LEU 24 H LEU 24 -3.310 4.166 -1.952 188 HA LEU 24 HA LEU 24 -1.052 2.421 -1.221 189 1HB LEU 24 1HB LEU 24 -3.811 1.365 -0.647 190 2HB LEU 24 2HB LEU 24 -2.454 0.819 0.066 191 HG LEU 24 HG LEU 24 -3.394 3.733 0.606 192 1HD1 LEU 24 1HD2 LEU 24 -4.783 3.049 2.508 193 2HD1 LEU 24 2HD2 LEU 24 -5.340 2.106 1.113 194 3HD1 LEU 24 3HD2 LEU 24 -4.364 1.386 2.365 195 1HD2 LEU 24 1HD1 LEU 24 -1.917 1.711 2.446 196 2HD2 LEU 24 2HD1 LEU 24 -1.153 3.095 1.595 197 3HD2 LEU 24 3HD1 LEU 24 -2.324 3.382 2.894 198 H CYS 25 H CYS 25 -0.987 0.008 -2.349 199 HA CYS 25 HA CYS 25 0.447 2.169 -2.146 200 1HB CYS 25 2HB CYS 25 0.082 0.640 -0.529 201 2HB CYS 25 1HB CYS 25 1.395 0.055 -1.419 202 HG CYS 25 HG CYS 25 3.249 1.247 -0.803 203 HA PRO 26 HA PRO 26 2.794 2.645 -5.445 204 1HB PRO 26 1HB PRO 26 1.165 2.556 -7.848 205 2HB PRO 26 2HB PRO 26 2.600 1.555 -7.526 206 1HG PRO 26 1HG PRO 26 0.015 0.493 -7.727 207 2HG PRO 26 2HG PRO 26 1.357 -0.257 -6.804 208 1HD PRO 26 1HD PRO 26 -0.769 1.667 -5.683 209 2HD PRO 26 2HD PRO 26 -0.429 -0.024 -5.093 210 H ALA 27 H ALA 27 0.006 3.300 -3.927 211 HA ALA 27 HA ALA 27 0.251 6.240 -4.833 212 1HB ALA 27 1HB ALA 27 -2.005 5.501 -4.216 213 2HB ALA 27 2HB ALA 27 -1.423 4.787 -2.706 214 3HB ALA 27 3HB ALA 27 -1.374 6.553 -2.922 215 H CYS 28 H CYS 28 2.151 3.933 -3.478 216 HA CYS 28 HA CYS 28 2.757 5.252 -0.965 217 1HB CYS 28 1HB CYS 28 3.466 3.302 -0.314 218 2HB CYS 28 2HB CYS 28 3.152 2.747 -1.911 219 HG CYS 28 HG CYS 28 5.933 3.378 -0.318 220 H MET 29 H MET 29 3.527 7.345 -0.961 221 HA MET 29 HA MET 29 6.507 7.584 -1.473 222 1HB MET 29 1HB MET 29 6.212 9.931 -1.131 223 2HB MET 29 2HB MET 29 4.836 9.384 -2.077 224 1HG MET 29 1HG MET 29 3.872 9.204 0.598 225 2HG MET 29 2HG MET 29 4.922 10.615 0.656 226 1HE MET 29 1HE MET 29 5.022 12.334 -1.379 227 2HE MET 29 2HE MET 29 3.494 13.149 -1.837 228 3HE MET 29 3HE MET 29 4.002 13.095 -0.123 229 H LYS 30 H LYS 30 6.679 5.737 0.031 230 HA LYS 30 HA LYS 30 6.374 6.311 2.903 231 1HB LYS 30 1HB LYS 30 6.298 3.591 1.438 232 2HB LYS 30 2HB LYS 30 6.024 3.829 3.147 233 1HG LYS 30 1HG LYS 30 4.050 3.959 1.050 234 2HG LYS 30 2HG LYS 30 3.836 4.002 2.786 235 1HD LYS 30 1HD LYS 30 4.505 6.640 2.439 236 2HD LYS 30 2HD LYS 30 4.084 6.325 0.791 237 1HE LYS 30 1HE LYS 30 2.263 7.328 2.402 238 2HE LYS 30 2HE LYS 30 1.706 6.082 1.326 239 1HZ LYS 30 1HZ LYS 30 1.130 4.943 3.163 240 2HZ LYS 30 2HZ LYS 30 1.657 6.133 4.111 241 H ALA 31 H ALA 31 8.872 5.143 0.800 242 HA ALA 31 HA ALA 31 10.987 5.451 2.686 243 1HB ALA 31 1HB ALA 31 11.642 3.106 3.286 244 2HB ALA 31 2HB ALA 31 10.019 3.457 3.894 245 3HB ALA 31 3HB ALA 31 10.235 2.443 2.445 Start of MODEL 12 1 1H ILE 1 1H ILE 1 7.130 1.532 6.170 2 2H ILE 1 2H ILE 1 7.092 3.161 6.260 3 HA ILE 1 HA ILE 1 7.924 3.407 4.045 4 HB ILE 1 HB ILE 1 9.608 1.659 5.395 5 1HG1 ILE 1 1HG1 ILE 1 10.285 4.284 6.376 6 2HG1 ILE 1 2HG1 ILE 1 8.582 3.986 6.666 7 1HG2 ILE 1 1HG2 ILE 1 11.528 3.221 4.618 8 2HG2 ILE 1 2HG2 ILE 1 10.663 2.461 3.280 9 3HG2 ILE 1 3HG2 ILE 1 10.296 4.143 3.719 10 1HD1 ILE 1 1HD1 ILE 1 9.910 3.071 8.568 11 2HD1 ILE 1 2HD1 ILE 1 9.046 1.762 7.717 12 3HD1 ILE 1 3HD1 ILE 1 10.792 1.978 7.454 13 H CYS 2 H CYS 2 8.732 2.545 2.134 14 HA CYS 2 HA CYS 2 7.604 -0.112 1.365 15 1HB CYS 2 2HB CYS 2 7.892 2.466 -0.156 16 2HB CYS 2 1HB CYS 2 7.157 1.019 -0.822 17 HG CYS 2 HG CYS 2 5.636 3.185 0.307 18 H GLU 3 H GLU 3 8.193 -1.527 -0.037 19 HA GLU 3 HA GLU 3 10.130 -1.289 -2.008 20 1HB GLU 3 1HB GLU 3 12.037 -2.865 -0.979 21 2HB GLU 3 2HB GLU 3 12.038 -1.139 -0.642 22 1HG GLU 3 2HG GLU 3 10.874 -1.711 1.634 23 2HG GLU 3 1HG GLU 3 11.038 -3.416 1.224 24 HE2 GLU 3 HE2 GLU 3 14.270 -3.652 2.111 25 H GLU 4 H GLU 4 8.150 -2.222 -2.648 26 HA GLU 4 HA GLU 4 6.515 -3.938 -2.775 27 1HB GLU 4 1HB GLU 4 7.717 -5.889 -4.360 28 2HB GLU 4 2HB GLU 4 6.985 -4.415 -4.951 29 1HG GLU 4 1HG GLU 4 9.994 -4.509 -4.206 30 2HG GLU 4 2HG GLU 4 9.440 -5.053 -5.787 31 HE2 GLU 4 HE2 GLU 4 10.463 -1.584 -5.890 32 HA PRO 5 HA PRO 5 5.040 -7.459 -1.225 33 1HB PRO 5 1HB PRO 5 7.853 -8.719 -0.709 34 2HB PRO 5 2HB PRO 5 6.275 -9.528 -0.725 35 1HG PRO 5 1HG PRO 5 7.878 -9.230 -3.015 36 2HG PRO 5 2HG PRO 5 6.131 -9.544 -3.083 37 1HD PRO 5 1HD PRO 5 7.523 -7.199 -3.986 38 2HD PRO 5 2HD PRO 5 5.728 -7.298 -3.803 39 H THR 6 H THR 6 5.619 -5.089 -0.458 40 HA THR 6 HA THR 6 4.701 -5.389 2.383 41 HB THR 6 HB THR 6 5.879 -2.713 2.166 42 HG1 THR 6 HG1 THR 6 7.884 -4.091 2.993 43 1HG2 THR 6 1HG2 THR 6 6.349 -3.050 4.501 44 2HG2 THR 6 2HG2 THR 6 4.876 -4.026 4.279 45 3HG2 THR 6 3HG2 THR 6 6.464 -4.815 4.340 46 H CYS 7 H CYS 7 4.734 -2.566 0.119 47 HA CYS 7 HA CYS 7 2.490 -2.081 -0.534 48 1HB CYS 7 2HB CYS 7 4.128 -2.361 -2.955 49 2HB CYS 7 1HB CYS 7 3.373 -0.875 -2.424 50 HG CYS 7 HG CYS 7 5.761 -0.309 -2.665 51 H ARG 8 H ARG 8 3.319 -4.527 -1.791 52 HA ARG 8 HA ARG 8 0.776 -5.084 -3.403 53 1HB ARG 8 1HB ARG 8 1.702 -6.567 -4.635 54 2HB ARG 8 2HB ARG 8 3.292 -6.184 -4.027 55 1HG ARG 8 1HG ARG 8 3.255 -8.077 -2.440 56 2HG ARG 8 2HG ARG 8 1.539 -8.332 -2.692 57 1HD ARG 8 1HD ARG 8 2.060 -8.943 -5.151 58 2HD ARG 8 2HD ARG 8 3.789 -8.890 -4.707 59 1HH1 ARG 8 1HH1 ARG 8 0.474 -9.961 -4.778 60 2HH1 ARG 8 2HH1 ARG 8 -0.361 -11.469 -4.125 61 1HH2 ARG 8 1HH2 ARG 8 2.510 -12.442 -2.626 62 2HH2 ARG 8 2HH2 ARG 8 0.758 -12.861 -3.057 63 H ASN 9 H ASN 9 2.409 -6.201 -0.759 64 HA ASN 9 HA ASN 9 0.234 -7.112 1.040 65 1HB ASN 9 2HB ASN 9 3.104 -6.237 1.438 66 2HB ASN 9 1HB ASN 9 1.973 -6.448 2.783 67 1HD2 ASN 9 2HD2 ASN 9 2.888 -8.243 3.661 68 2HD2 ASN 9 1HD2 ASN 9 3.033 -9.818 2.723 69 H ARG 10 H ARG 10 1.275 -3.826 0.201 70 HA ARG 10 HA ARG 10 -0.949 -2.519 1.619 71 1HB ARG 10 2HB ARG 10 1.419 -0.899 0.637 72 2HB ARG 10 1HB ARG 10 0.127 -0.559 1.784 73 1HG ARG 10 1HG ARG 10 1.517 -1.007 3.534 74 2HG ARG 10 2HG ARG 10 1.645 -2.673 3.009 75 1HD ARG 10 1HD ARG 10 3.592 -2.136 1.607 76 2HD ARG 10 2HD ARG 10 3.441 -0.417 2.008 77 1HH1 ARG 10 1HH1 ARG 10 2.929 0.508 3.933 78 2HH1 ARG 10 2HH1 ARG 10 3.539 0.775 5.651 79 1HH2 ARG 10 1HH2 ARG 10 4.984 -2.282 5.634 80 2HH2 ARG 10 2HH2 ARG 10 4.659 -0.718 6.571 81 H THR 11 H THR 11 -0.773 -3.221 -0.903 82 HA THR 11 HA THR 11 -2.387 -1.665 -2.385 83 HB THR 11 HB THR 11 -0.736 -3.903 -2.737 84 HG1 THR 11 HG1 THR 11 -0.568 -2.837 -5.077 85 1HG2 THR 11 1HG2 THR 11 -2.175 -4.396 -5.251 86 2HG2 THR 11 2HG2 THR 11 -3.154 -4.619 -3.769 87 3HG2 THR 11 3HG2 THR 11 -3.165 -3.131 -4.652 88 H ARG 12 H ARG 12 -1.926 -4.534 -1.055 89 HA ARG 12 HA ARG 12 -4.373 -5.716 -0.309 90 1HB ARG 12 2HB ARG 12 -2.592 -7.079 -0.545 91 2HB ARG 12 1HB ARG 12 -1.802 -5.695 0.106 92 1HG ARG 12 2HG ARG 12 -3.110 -8.136 1.561 93 2HG ARG 12 1HG ARG 12 -1.438 -7.661 1.801 94 1HD ARG 12 1HD ARG 12 -2.127 -5.729 3.130 95 2HD ARG 12 2HD ARG 12 -3.820 -5.956 2.762 96 1HH1 ARG 12 1HH1 ARG 12 -5.005 -6.019 4.157 97 2HH1 ARG 12 2HH1 ARG 12 -5.727 -6.868 5.624 98 1HH2 ARG 12 1HH2 ARG 12 -2.913 -8.721 5.957 99 2HH2 ARG 12 2HH2 ARG 12 -4.472 -8.117 6.752 100 H HIS 13 H HIS 13 -2.498 -4.327 2.106 101 HA HIS 13 HA HIS 13 -4.573 -2.580 3.098 102 1HB HIS 13 1HB HIS 13 -2.101 -3.185 4.372 103 2HB HIS 13 2HB HIS 13 -1.548 -1.901 3.336 104 HD2 HIS 13 HD2 HIS 13 -1.582 -1.928 6.656 105 HE1 HIS 13 HE1 HIS 13 -3.739 1.580 6.038 106 HE2 HIS 13 HE2 HIS 13 -2.278 0.352 7.782 107 H LEU 14 H LEU 14 -3.528 -2.272 0.616 108 HA LEU 14 HA LEU 14 -5.008 -0.067 0.299 109 1HB LEU 14 1HB LEU 14 -3.589 0.046 -1.617 110 2HB LEU 14 2HB LEU 14 -3.993 -1.604 -1.932 111 HG LEU 14 HG LEU 14 -6.362 -0.844 -2.205 112 1HD1 LEU 14 1HD1 LEU 14 -4.763 1.588 -3.127 113 2HD1 LEU 14 2HD1 LEU 14 -6.503 1.296 -3.529 114 3HD1 LEU 14 3HD1 LEU 14 -6.016 1.508 -1.835 115 1HD2 LEU 14 1HD2 LEU 14 -4.214 -0.660 -4.346 116 2HD2 LEU 14 2HD2 LEU 14 -5.296 -2.063 -3.983 117 3HD2 LEU 14 3HD2 LEU 14 -6.002 -0.624 -4.682 118 HA PRO 15 HA PRO 15 -8.869 -2.117 0.292 119 1HB PRO 15 1HB PRO 15 -7.432 -4.792 0.996 120 2HB PRO 15 2HB PRO 15 -9.225 -4.660 0.751 121 1HG PRO 15 1HG PRO 15 -7.919 -5.392 -1.529 122 2HG PRO 15 2HG PRO 15 -8.824 -3.855 -1.669 123 1HD PRO 15 1HD PRO 15 -5.883 -4.289 -0.993 124 2HD PRO 15 2HD PRO 15 -6.597 -3.104 -2.204 125 H LEU 16 H LEU 16 -6.516 -1.961 1.976 126 HA LEU 16 HA LEU 16 -7.959 -1.761 4.357 127 1HB LEU 16 1HB LEU 16 -5.187 -2.223 4.277 128 2HB LEU 16 2HB LEU 16 -5.300 -0.535 4.718 129 HG LEU 16 HG LEU 16 -7.185 -1.944 6.390 130 1HD1 LEU 16 1HD1 LEU 16 -5.628 -3.513 7.641 131 2HD1 LEU 16 2HD1 LEU 16 -5.844 -4.058 5.970 132 3HD1 LEU 16 3HD1 LEU 16 -4.347 -3.221 6.437 133 1HD2 LEU 16 1HD2 LEU 16 -5.940 0.128 7.057 134 2HD2 LEU 16 2HD2 LEU 16 -5.698 -1.147 8.272 135 3HD2 LEU 16 3HD2 LEU 16 -4.413 -0.777 7.093 136 H GLN 17 H GLN 17 -9.162 -0.605 2.690 137 HA GLN 17 HA GLN 17 -8.178 2.175 1.979 138 1HB GLN 17 1HB GLN 17 -9.654 2.030 0.059 139 2HB GLN 17 2HB GLN 17 -8.637 0.622 0.149 140 1HG GLN 17 1HG GLN 17 -10.796 -0.528 1.334 141 2HG GLN 17 2HG GLN 17 -11.685 0.771 0.573 142 1HE2 GLN 17 2HE2 GLN 17 -10.441 0.991 -1.870 143 2HE2 GLN 17 1HE2 GLN 17 -10.681 -0.610 -2.757 144 H PHE 18 H PHE 18 -8.602 3.040 3.886 145 HA PHE 18 HA PHE 18 -10.721 5.133 3.780 146 1HB PHE 18 1HB PHE 18 -8.054 4.514 5.056 147 2HB PHE 18 2HB PHE 18 -7.988 6.104 4.357 148 HD1 PHE 18 HD1 PHE 18 -7.425 7.227 6.169 149 HD2 PHE 18 HD2 PHE 18 -11.098 4.999 6.099 150 HE1 PHE 18 HE1 PHE 18 -8.263 8.633 7.872 151 HE2 PHE 18 HE2 PHE 18 -11.978 6.359 7.829 152 HZ PHE 18 HZ PHE 18 -10.553 8.187 8.906 153 H SER 19 H SER 19 -7.958 4.200 2.142 154 HA SER 19 HA SER 19 -7.664 6.393 0.040 155 1HB SER 19 1HB SER 19 -5.431 4.767 0.129 156 2HB SER 19 2HB SER 19 -5.714 6.472 0.446 157 HG SER 19 HG SER 19 -6.110 4.511 2.459 158 H ARG 20 H ARG 20 -8.336 6.007 -1.834 159 HA ARG 20 HA ARG 20 -7.813 3.378 -3.190 160 1HB ARG 20 1HB ARG 20 -10.208 4.805 -3.365 161 2HB ARG 20 2HB ARG 20 -9.465 5.081 -4.929 162 1HG ARG 20 2HG ARG 20 -10.299 2.350 -3.761 163 2HG ARG 20 1HG ARG 20 -10.938 3.148 -5.202 164 1HD ARG 20 1HD ARG 20 -8.649 2.922 -6.309 165 2HD ARG 20 2HD ARG 20 -8.093 2.017 -4.908 166 1HH1 ARG 20 1HH1 ARG 20 -8.484 0.299 -3.984 167 2HH1 ARG 20 2HH1 ARG 20 -9.101 -1.436 -4.078 168 1HH2 ARG 20 1HH2 ARG 20 -10.261 -0.849 -7.208 169 2HH2 ARG 20 2HH2 ARG 20 -9.953 -2.094 -5.872 170 H THR 21 H THR 21 -5.685 3.615 -3.334 171 HA THR 21 HA THR 21 -3.750 4.731 -3.345 172 HB THR 21 HB THR 21 -3.079 5.633 -5.274 173 HG1 THR 21 HG1 THR 21 -5.102 6.538 -6.680 174 1HG2 THR 21 1HG2 THR 21 -5.949 4.492 -6.155 175 2HG2 THR 21 2HG2 THR 21 -4.492 4.454 -7.174 176 3HG2 THR 21 3HG2 THR 21 -4.604 3.412 -5.730 177 H GLY 22 H GLY 22 -5.457 5.787 -1.522 178 1HA GLY 22 1HA GLY 22 -4.536 8.596 -1.008 179 2HA GLY 22 2HA GLY 22 -5.627 7.656 -0.047 180 HA PRO 23 HA PRO 23 -2.462 6.287 -1.659 181 1HB PRO 23 1HB PRO 23 0.176 6.465 -1.478 182 2HB PRO 23 2HB PRO 23 -0.782 7.883 -1.096 183 1HG PRO 23 1HG PRO 23 0.524 5.836 0.853 184 2HG PRO 23 2HG PRO 23 0.631 7.610 0.948 185 1HD PRO 23 2HD PRO 23 -1.257 5.885 2.138 186 2HD PRO 23 1HD PRO 23 -1.425 7.689 2.141 187 H LEU 24 H LEU 24 -3.190 3.923 -1.805 188 HA LEU 24 HA LEU 24 -0.921 2.108 -1.280 189 1HB LEU 24 1HB LEU 24 -3.798 1.519 -0.453 190 2HB LEU 24 2HB LEU 24 -2.604 0.465 -0.120 191 HG LEU 24 HG LEU 24 -1.487 2.596 1.234 192 1HD1 LEU 24 1HD2 LEU 24 -3.136 4.100 2.282 193 2HD1 LEU 24 2HD2 LEU 24 -3.399 4.212 0.531 194 3HD1 LEU 24 3HD2 LEU 24 -4.483 3.312 1.557 195 1HD2 LEU 24 1HD1 LEU 24 -3.931 1.043 2.351 196 2HD2 LEU 24 2HD1 LEU 24 -2.229 0.474 2.371 197 3HD2 LEU 24 3HD1 LEU 24 -2.715 1.871 3.348 198 H CYS 25 H CYS 25 -1.106 -0.259 -2.312 199 HA CYS 25 HA CYS 25 0.571 1.516 -2.172 200 1HB CYS 25 1HB CYS 25 0.476 -0.365 -0.931 201 2HB CYS 25 2HB CYS 25 1.625 -0.667 -2.184 202 HG CYS 25 HG CYS 25 3.191 -0.027 -0.367 203 HA PRO 26 HA PRO 26 2.371 2.300 -5.781 204 1HB PRO 26 1HB PRO 26 1.212 2.111 -8.208 205 2HB PRO 26 2HB PRO 26 1.776 0.579 -7.502 206 1HG PRO 26 1HG PRO 26 -1.043 1.770 -7.461 207 2HG PRO 26 2HG PRO 26 -0.516 0.091 -7.804 208 1HD PRO 26 1HD PRO 26 -1.314 1.157 -5.233 209 2HD PRO 26 2HD PRO 26 -0.685 -0.503 -5.557 210 H ALA 27 H ALA 27 -0.136 2.914 -4.051 211 HA ALA 27 HA ALA 27 0.061 5.860 -4.962 212 1HB ALA 27 1HB ALA 27 -2.211 5.218 -4.309 213 2HB ALA 27 2HB ALA 27 -1.634 4.468 -2.814 214 3HB ALA 27 3HB ALA 27 -1.514 6.232 -3.018 215 H CYS 28 H CYS 28 1.904 3.474 -3.689 216 HA CYS 28 HA CYS 28 2.684 4.635 -1.176 217 1HB CYS 28 1HB CYS 28 4.099 2.905 -0.761 218 2HB CYS 28 2HB CYS 28 2.960 2.282 -1.889 219 HG CYS 28 HG CYS 28 6.157 2.607 -2.020 220 H MET 29 H MET 29 3.044 6.634 -1.093 221 HA MET 29 HA MET 29 5.872 7.603 -1.704 222 1HB MET 29 1HB MET 29 3.600 9.049 -2.249 223 2HB MET 29 2HB MET 29 3.868 9.562 -0.590 224 1HG MET 29 1HG MET 29 6.380 9.634 -2.242 225 2HG MET 29 2HG MET 29 5.095 10.632 -2.912 226 1HE MET 29 1HE MET 29 4.190 13.172 -0.140 227 2HE MET 29 2HE MET 29 3.641 12.255 -1.578 228 3HE MET 29 3HE MET 29 3.489 11.538 0.054 229 H LYS 30 H LYS 30 6.425 5.941 -0.064 230 HA LYS 30 HA LYS 30 6.454 7.072 2.649 231 1HB LYS 30 1HB LYS 30 7.178 4.292 1.563 232 2HB LYS 30 2HB LYS 30 7.576 4.775 3.193 233 1HG LYS 30 1HG LYS 30 5.456 3.439 3.106 234 2HG LYS 30 2HG LYS 30 5.310 4.984 3.913 235 1HD LYS 30 1HD LYS 30 4.465 5.776 1.414 236 2HD LYS 30 2HD LYS 30 4.198 4.081 1.199 237 1HE LYS 30 1HE LYS 30 2.477 6.029 2.461 238 2HE LYS 30 2HE LYS 30 2.101 4.348 2.234 239 1HZ LYS 30 1HZ LYS 30 2.486 3.998 4.425 240 2HZ LYS 30 2HZ LYS 30 2.429 5.598 4.603 241 H ALA 31 H ALA 31 10.384 6.902 1.505 242 HA ALA 31 HA ALA 31 9.128 4.382 1.938 243 1HB ALA 31 1HB ALA 31 8.407 3.658 -0.360 244 2HB ALA 31 2HB ALA 31 7.463 5.063 0.155 245 3HB ALA 31 3HB ALA 31 8.779 5.251 -1.032 Start of MODEL 13 1 1H ILE 1 1H ILE 1 10.701 3.198 4.123 2 2H ILE 1 2H ILE 1 11.066 2.770 5.655 3 HA ILE 1 HA ILE 1 9.998 0.708 5.486 4 HB ILE 1 HB ILE 1 8.735 3.100 5.213 5 1HG1 ILE 1 1HG1 ILE 1 7.975 1.132 7.349 6 2HG1 ILE 1 2HG1 ILE 1 9.559 1.885 7.358 7 1HG2 ILE 1 1HG2 ILE 1 6.306 2.214 5.358 8 2HG2 ILE 1 2HG2 ILE 1 7.035 1.913 3.778 9 3HG2 ILE 1 3HG2 ILE 1 6.943 0.596 4.968 10 1HD1 ILE 1 1HD1 ILE 1 7.969 3.305 8.651 11 2HD1 ILE 1 2HD1 ILE 1 8.579 4.184 7.223 12 3HD1 ILE 1 3HD1 ILE 1 6.935 3.506 7.201 13 H CYS 2 H CYS 2 8.601 2.221 2.676 14 HA CYS 2 HA CYS 2 7.740 -0.228 1.698 15 1HB CYS 2 2HB CYS 2 7.415 2.542 1.058 16 2HB CYS 2 1HB CYS 2 7.335 1.590 -0.415 17 HG CYS 2 HG CYS 2 5.708 -0.271 0.697 18 H GLU 3 H GLU 3 9.162 -1.735 1.251 19 HA GLU 3 HA GLU 3 9.872 -1.804 -1.709 20 1HB GLU 3 1HB GLU 3 10.951 -3.580 0.590 21 2HB GLU 3 2HB GLU 3 11.191 -3.969 -1.108 22 1HG GLU 3 2HG GLU 3 12.090 -1.197 -0.112 23 2HG GLU 3 1HG GLU 3 13.014 -2.599 0.416 24 HE2 GLU 3 HE2 GLU 3 14.150 -1.104 -2.778 25 H GLU 4 H GLU 4 9.393 -3.588 -2.946 26 HA GLU 4 HA GLU 4 6.529 -3.592 -2.809 27 1HB GLU 4 1HB GLU 4 6.810 -4.763 -5.156 28 2HB GLU 4 2HB GLU 4 7.437 -3.149 -4.918 29 1HG GLU 4 1HG GLU 4 9.698 -3.848 -5.166 30 2HG GLU 4 2HG GLU 4 9.428 -5.407 -4.392 31 HE2 GLU 4 HE2 GLU 4 9.633 -5.131 -8.234 32 HA PRO 5 HA PRO 5 5.243 -7.554 -1.553 33 1HB PRO 5 1HB PRO 5 6.718 -9.206 0.096 34 2HB PRO 5 2HB PRO 5 6.943 -9.281 -1.661 35 1HG PRO 5 1HG PRO 5 8.635 -7.721 0.371 36 2HG PRO 5 2HG PRO 5 9.219 -8.837 -0.881 37 1HD PRO 5 2HD PRO 5 9.097 -6.027 -1.206 38 2HD PRO 5 1HD PRO 5 9.011 -7.199 -2.567 39 H THR 6 H THR 6 5.878 -4.968 -0.593 40 HA THR 6 HA THR 6 4.884 -5.032 2.277 41 HB THR 6 HB THR 6 6.545 -2.652 1.420 42 HG1 THR 6 HG1 THR 6 7.409 -4.800 3.047 43 1HG2 THR 6 1HG2 THR 6 5.175 -3.623 3.954 44 2HG2 THR 6 2HG2 THR 6 6.795 -2.914 4.164 45 3HG2 THR 6 3HG2 THR 6 5.498 -1.962 3.419 46 H CYS 7 H CYS 7 4.867 -2.394 -0.273 47 HA CYS 7 HA CYS 7 2.583 -2.059 -0.865 48 1HB CYS 7 1HB CYS 7 4.115 -2.554 -3.321 49 2HB CYS 7 2HB CYS 7 3.254 -1.087 -2.916 50 HG CYS 7 HG CYS 7 6.217 -1.747 -3.152 51 H ARG 8 H ARG 8 3.430 -4.618 -1.844 52 HA ARG 8 HA ARG 8 0.827 -5.408 -3.258 53 1HB ARG 8 1HB ARG 8 1.867 -6.861 -4.429 54 2HB ARG 8 2HB ARG 8 3.411 -6.653 -3.643 55 1HG ARG 8 1HG ARG 8 2.903 -8.470 -2.001 56 2HG ARG 8 2HG ARG 8 1.249 -8.575 -2.576 57 1HD ARG 8 1HD ARG 8 2.226 -9.242 -4.908 58 2HD ARG 8 2HD ARG 8 3.792 -9.419 -4.068 59 1HH1 ARG 8 1HH1 ARG 8 2.252 -10.908 -5.900 60 2HH1 ARG 8 2HH1 ARG 8 1.462 -12.571 -5.988 61 1HH2 ARG 8 1HH2 ARG 8 1.446 -12.774 -2.613 62 2HH2 ARG 8 2HH2 ARG 8 1.109 -13.617 -4.227 63 H ASN 9 H ASN 9 2.551 -6.119 -0.550 64 HA ASN 9 HA ASN 9 0.474 -6.839 1.433 65 1HB ASN 9 2HB ASN 9 3.328 -5.852 1.579 66 2HB ASN 9 1HB ASN 9 2.265 -5.899 2.995 67 1HD2 ASN 9 2HD2 ASN 9 3.467 -7.502 3.994 68 2HD2 ASN 9 1HD2 ASN 9 3.512 -9.206 3.304 69 H ARG 10 H ARG 10 1.367 -3.611 0.168 70 HA ARG 10 HA ARG 10 -0.863 -2.360 1.585 71 1HB ARG 10 1HB ARG 10 0.987 -1.289 2.336 72 2HB ARG 10 2HB ARG 10 1.809 -1.060 0.817 73 1HG ARG 10 2HG ARG 10 1.023 1.139 1.213 74 2HG ARG 10 1HG ARG 10 -0.401 0.569 0.335 75 1HD ARG 10 1HD ARG 10 -1.693 0.643 2.207 76 2HD ARG 10 2HD ARG 10 -0.438 -0.058 3.243 77 1HH1 ARG 10 1HH1 ARG 10 1.396 0.517 3.915 78 2HH1 ARG 10 2HH1 ARG 10 2.237 1.791 4.947 79 1HH2 ARG 10 1HH2 ARG 10 0.343 4.199 3.510 80 2HH2 ARG 10 2HH2 ARG 10 1.710 3.792 4.691 81 H THR 11 H THR 11 -0.704 -3.286 -0.901 82 HA THR 11 HA THR 11 -2.439 -1.857 -2.452 83 HB THR 11 HB THR 11 -0.740 -4.091 -2.692 84 HG1 THR 11 HG1 THR 11 0.069 -3.184 -4.520 85 1HG2 THR 11 1HG2 THR 11 -2.188 -4.768 -5.150 86 2HG2 THR 11 2HG2 THR 11 -3.150 -4.932 -3.649 87 3HG2 THR 11 3HG2 THR 11 -3.212 -3.500 -4.617 88 H ARG 12 H ARG 12 -1.870 -4.631 -0.956 89 HA ARG 12 HA ARG 12 -4.215 -5.876 -0.130 90 1HB ARG 12 2HB ARG 12 -2.360 -7.156 -0.296 91 2HB ARG 12 1HB ARG 12 -1.631 -5.690 0.282 92 1HG ARG 12 1HG ARG 12 -2.835 -8.120 1.909 93 2HG ARG 12 2HG ARG 12 -1.164 -7.600 1.994 94 1HD ARG 12 1HD ARG 12 -1.718 -5.665 3.309 95 2HD ARG 12 2HD ARG 12 -3.437 -5.816 3.034 96 1HH1 ARG 12 1HH1 ARG 12 -4.745 -6.061 4.253 97 2HH1 ARG 12 2HH1 ARG 12 -5.355 -6.660 5.885 98 1HH2 ARG 12 1HH2 ARG 12 -2.511 -8.434 6.328 99 2HH2 ARG 12 2HH2 ARG 12 -4.177 -7.969 6.990 100 H HIS 13 H HIS 13 -2.379 -4.352 2.159 101 HA HIS 13 HA HIS 13 -4.431 -2.588 3.180 102 1HB HIS 13 1HB HIS 13 -1.320 -2.240 3.341 103 2HB HIS 13 2HB HIS 13 -2.409 -1.165 4.168 104 HD2 HIS 13 HD2 HIS 13 -1.736 -1.480 6.648 105 HE1 HIS 13 HE1 HIS 13 -1.953 -5.631 6.913 106 HE2 HIS 13 HE2 HIS 13 -1.493 -3.509 8.318 107 H LEU 14 H LEU 14 -3.465 -2.398 0.652 108 HA LEU 14 HA LEU 14 -4.943 -0.191 0.291 109 1HB LEU 14 1HB LEU 14 -3.621 -0.214 -1.702 110 2HB LEU 14 2HB LEU 14 -4.070 -1.871 -1.903 111 HG LEU 14 HG LEU 14 -6.436 -1.075 -2.102 112 1HD1 LEU 14 1HD1 LEU 14 -4.837 1.263 -3.240 113 2HD1 LEU 14 2HD1 LEU 14 -6.600 0.989 -3.537 114 3HD1 LEU 14 3HD1 LEU 14 -6.024 1.285 -1.885 115 1HD2 LEU 14 1HD2 LEU 14 -4.395 -1.054 -4.353 116 2HD2 LEU 14 2HD2 LEU 14 -5.480 -2.414 -3.860 117 3HD2 LEU 14 3HD2 LEU 14 -6.196 -1.001 -4.602 118 HA PRO 15 HA PRO 15 -8.837 -2.166 0.576 119 1HB PRO 15 1HB PRO 15 -7.413 -4.833 1.340 120 2HB PRO 15 2HB PRO 15 -9.214 -4.675 1.182 121 1HG PRO 15 1HG PRO 15 -8.045 -5.545 -1.125 122 2HG PRO 15 2HG PRO 15 -8.923 -3.994 -1.293 123 1HD PRO 15 1HD PRO 15 -5.964 -4.467 -0.735 124 2HD PRO 15 2HD PRO 15 -6.709 -3.329 -1.975 125 H LEU 16 H LEU 16 -6.410 -1.967 2.133 126 HA LEU 16 HA LEU 16 -7.715 -1.654 4.578 127 1HB LEU 16 1HB LEU 16 -5.025 -2.192 4.495 128 2HB LEU 16 2HB LEU 16 -4.988 -0.446 4.580 129 HG LEU 16 HG LEU 16 -6.770 -1.777 6.596 130 1HD1 LEU 16 1HD2 LEU 16 -3.702 -1.999 6.786 131 2HD1 LEU 16 2HD2 LEU 16 -4.807 -2.319 8.141 132 3HD1 LEU 16 3HD2 LEU 16 -4.853 -3.348 6.686 133 1HD2 LEU 16 1HD1 LEU 16 -5.646 -0.088 8.166 134 2HD2 LEU 16 2HD1 LEU 16 -4.594 0.440 6.843 135 3HD2 LEU 16 3HD1 LEU 16 -6.347 0.709 6.736 136 H GLN 17 H GLN 17 -9.039 -0.590 2.942 137 HA GLN 17 HA GLN 17 -8.174 2.194 2.114 138 1HB GLN 17 1HB GLN 17 -9.658 1.936 0.236 139 2HB GLN 17 2HB GLN 17 -8.656 0.521 0.369 140 1HG GLN 17 1HG GLN 17 -10.502 -0.908 1.070 141 2HG GLN 17 2HG GLN 17 -11.526 0.439 1.513 142 1HE2 GLN 17 2HE2 GLN 17 -10.183 -1.414 -1.127 143 2HE2 GLN 17 1HE2 GLN 17 -11.410 -0.815 -2.370 144 H PHE 18 H PHE 18 -8.586 2.977 4.107 145 HA PHE 18 HA PHE 18 -10.719 5.055 4.095 146 1HB PHE 18 1HB PHE 18 -7.924 4.480 5.205 147 2HB PHE 18 2HB PHE 18 -8.106 6.145 4.741 148 HD1 PHE 18 HD1 PHE 18 -7.695 7.213 6.569 149 HD2 PHE 18 HD2 PHE 18 -10.812 4.255 6.552 150 HE1 PHE 18 HE1 PHE 18 -8.571 8.183 8.539 151 HE2 PHE 18 HE2 PHE 18 -11.729 5.184 8.531 152 HZ PHE 18 HZ PHE 18 -10.605 7.159 9.690 153 H SER 19 H SER 19 -7.970 4.211 2.399 154 HA SER 19 HA SER 19 -7.697 6.474 0.370 155 1HB SER 19 1HB SER 19 -5.466 4.929 0.289 156 2HB SER 19 2HB SER 19 -5.776 6.555 0.876 157 HG SER 19 HG SER 19 -5.254 5.936 2.743 158 H ARG 20 H ARG 20 -8.424 6.170 -1.490 159 HA ARG 20 HA ARG 20 -7.988 3.597 -2.983 160 1HB ARG 20 2HB ARG 20 -10.510 4.500 -3.037 161 2HB ARG 20 1HB ARG 20 -9.767 5.703 -4.070 162 1HG ARG 20 1HG ARG 20 -10.932 3.805 -5.350 163 2HG ARG 20 2HG ARG 20 -9.240 4.007 -5.803 164 1HD ARG 20 1HD ARG 20 -8.631 2.085 -4.232 165 2HD ARG 20 2HD ARG 20 -10.336 1.883 -3.854 166 1HH1 ARG 20 1HH1 ARG 20 -7.372 1.782 -5.647 167 2HH1 ARG 20 2HH1 ARG 20 -6.897 0.720 -7.076 168 1HH2 ARG 20 1HH2 ARG 20 -10.112 -0.265 -7.438 169 2HH2 ARG 20 2HH2 ARG 20 -8.377 -0.352 -8.079 170 H THR 21 H THR 21 -5.865 3.839 -3.089 171 HA THR 21 HA THR 21 -3.900 4.834 -3.166 172 HB THR 21 HB THR 21 -3.246 5.862 -5.059 173 HG1 THR 21 HG1 THR 21 -4.194 7.714 -5.288 174 1HG2 THR 21 1HG2 THR 21 -6.151 4.783 -5.903 175 2HG2 THR 21 2HG2 THR 21 -4.726 4.782 -6.968 176 3HG2 THR 21 3HG2 THR 21 -4.803 3.674 -5.571 177 H GLY 22 H GLY 22 -5.503 5.890 -1.237 178 1HA GLY 22 1HA GLY 22 -4.288 8.568 -0.579 179 2HA GLY 22 2HA GLY 22 -5.475 7.703 0.338 180 HA PRO 23 HA PRO 23 -2.450 6.193 -1.429 181 1HB PRO 23 1HB PRO 23 0.194 6.206 -1.264 182 2HB PRO 23 2HB PRO 23 -0.661 7.620 -0.677 183 1HG PRO 23 1HG PRO 23 0.459 5.218 0.966 184 2HG PRO 23 2HG PRO 23 0.772 6.943 1.275 185 1HD PRO 23 1HD PRO 23 -1.388 5.428 2.429 186 2HD PRO 23 2HD PRO 23 -1.157 7.223 2.354 187 H LEU 24 H LEU 24 -3.084 3.923 -2.104 188 HA LEU 24 HA LEU 24 -1.057 1.900 -1.411 189 1HB LEU 24 1HB LEU 24 -3.609 0.638 -0.925 190 2HB LEU 24 2HB LEU 24 -2.363 0.693 0.121 191 HG LEU 24 HG LEU 24 -4.540 1.690 0.956 192 1HD1 LEU 24 1HD2 LEU 24 -3.694 3.615 2.238 193 2HD1 LEU 24 2HD2 LEU 24 -2.334 2.492 2.047 194 3HD1 LEU 24 3HD2 LEU 24 -2.440 3.958 1.110 195 1HD2 LEU 24 1HD1 LEU 24 -3.932 4.118 -0.875 196 2HD2 LEU 24 2HD1 LEU 24 -5.295 2.967 -1.073 197 3HD2 LEU 24 3HD1 LEU 24 -5.243 4.057 0.324 198 H CYS 25 H CYS 25 -1.231 -0.377 -2.656 199 HA CYS 25 HA CYS 25 0.463 1.402 -2.356 200 1HB CYS 25 1HB CYS 25 0.395 -0.598 -1.335 201 2HB CYS 25 2HB CYS 25 1.494 -0.791 -2.657 202 HG CYS 25 HG CYS 25 3.249 0.569 -2.005 203 HA PRO 26 HA PRO 26 2.299 2.576 -5.899 204 1HB PRO 26 1HB PRO 26 0.564 2.672 -8.245 205 2HB PRO 26 2HB PRO 26 2.072 1.737 -8.111 206 1HG PRO 26 1HG PRO 26 -0.472 0.551 -8.338 207 2HG PRO 26 2HG PRO 26 0.974 -0.236 -7.629 208 1HD PRO 26 2HD PRO 26 -1.255 1.257 -6.063 209 2HD PRO 26 1HD PRO 26 -0.581 -0.423 -5.823 210 H ALA 27 H ALA 27 -0.264 2.999 -4.074 211 HA ALA 27 HA ALA 27 -0.078 5.981 -4.854 212 1HB ALA 27 1HB ALA 27 -2.342 5.328 -4.209 213 2HB ALA 27 2HB ALA 27 -1.759 4.517 -2.749 214 3HB ALA 27 3HB ALA 27 -1.631 6.287 -2.885 215 H CYS 28 H CYS 28 1.783 3.532 -3.679 216 HA CYS 28 HA CYS 28 2.575 4.775 -1.161 217 1HB CYS 28 1HB CYS 28 3.610 2.902 -0.598 218 2HB CYS 28 2HB CYS 28 2.858 2.309 -2.028 219 HG CYS 28 HG CYS 28 5.960 3.436 -1.529 220 H MET 29 H MET 29 3.828 6.218 -0.482 221 HA MET 29 HA MET 29 6.459 6.778 -1.807 222 1HB MET 29 1HB MET 29 6.198 9.322 -1.309 223 2HB MET 29 2HB MET 29 5.416 8.649 -2.732 224 1HG MET 29 1HG MET 29 3.429 8.470 -0.647 225 2HG MET 29 2HG MET 29 4.223 10.018 -0.381 226 1HE MET 29 1HE MET 29 4.696 11.819 -2.607 227 2HE MET 29 2HE MET 29 5.304 10.386 -3.492 228 3HE MET 29 3HE MET 29 4.041 11.419 -4.222 229 H LYS 30 H LYS 30 6.449 5.148 0.080 230 HA LYS 30 HA LYS 30 7.348 6.450 2.566 231 1HB LYS 30 1HB LYS 30 6.442 3.564 1.995 232 2HB LYS 30 2HB LYS 30 7.156 4.048 3.515 233 1HG LYS 30 1HG LYS 30 4.800 4.066 3.913 234 2HG LYS 30 2HG LYS 30 5.340 5.730 3.919 235 1HD LYS 30 1HD LYS 30 4.539 5.645 1.307 236 2HD LYS 30 2HD LYS 30 3.682 4.228 1.806 237 1HE LYS 30 1HE LYS 30 2.390 6.495 1.777 238 2HE LYS 30 2HE LYS 30 2.118 5.528 3.195 239 1HZ LYS 30 1HZ LYS 30 2.698 7.482 4.177 240 2HZ LYS 30 2HZ LYS 30 3.448 8.078 2.882 241 H ALA 31 H ALA 31 9.288 5.670 3.741 242 HA ALA 31 HA ALA 31 11.705 5.843 3.739 243 1HB ALA 31 1HB ALA 31 12.648 3.851 2.543 244 2HB ALA 31 2HB ALA 31 11.148 3.410 3.370 245 3HB ALA 31 3HB ALA 31 11.163 3.649 1.604 Start of MODEL 14 1 1H ILE 1 1H ILE 1 10.777 2.971 3.724 2 2H ILE 1 2H ILE 1 11.135 3.158 5.305 3 HA ILE 1 HA ILE 1 9.348 1.837 6.011 4 HB ILE 1 HB ILE 1 8.989 4.102 4.508 5 1HG1 ILE 1 1HG1 ILE 1 7.993 4.012 7.323 6 2HG1 ILE 1 2HG1 ILE 1 9.714 3.831 7.046 7 1HG2 ILE 1 1HG2 ILE 1 6.483 4.395 5.109 8 2HG2 ILE 1 2HG2 ILE 1 6.749 3.104 3.934 9 3HG2 ILE 1 3HG2 ILE 1 6.487 2.695 5.644 10 1HD1 ILE 1 1HD1 ILE 1 9.172 6.254 7.273 11 2HD1 ILE 1 2HD1 ILE 1 9.810 5.902 5.644 12 3HD1 ILE 1 3HD1 ILE 1 8.065 6.160 5.867 13 H CYS 2 H CYS 2 7.713 2.316 3.002 14 HA CYS 2 HA CYS 2 7.269 -0.418 2.461 15 1HB CYS 2 2HB CYS 2 6.694 2.168 1.166 16 2HB CYS 2 1HB CYS 2 6.446 0.741 0.171 17 HG CYS 2 HG CYS 2 4.593 -0.301 1.206 18 H GLU 3 H GLU 3 8.897 -1.768 2.157 19 HA GLU 3 HA GLU 3 10.091 -1.873 -0.646 20 1HB GLU 3 1HB GLU 3 10.540 -3.436 1.947 21 2HB GLU 3 2HB GLU 3 10.774 -4.308 0.438 22 1HG GLU 3 2HG GLU 3 12.867 -3.304 0.172 23 2HG GLU 3 1HG GLU 3 12.194 -1.687 0.356 24 HE2 GLU 3 HE2 GLU 3 12.747 -3.185 3.955 25 H GLU 4 H GLU 4 9.797 -3.806 -1.963 26 HA GLU 4 HA GLU 4 6.916 -3.948 -2.354 27 1HB GLU 4 1HB GLU 4 9.416 -4.815 -3.901 28 2HB GLU 4 2HB GLU 4 7.854 -5.303 -4.520 29 1HG GLU 4 1HG GLU 4 7.490 -2.502 -4.066 30 2HG GLU 4 2HG GLU 4 9.174 -2.589 -4.572 31 HE2 GLU 4 HE2 GLU 4 6.864 -4.370 -7.256 32 HA PRO 5 HA PRO 5 5.758 -7.912 -1.055 33 1HB PRO 5 1HB PRO 5 7.122 -9.416 0.820 34 2HB PRO 5 2HB PRO 5 7.545 -9.549 -0.897 35 1HG PRO 5 1HG PRO 5 8.925 -7.832 1.239 36 2HG PRO 5 2HG PRO 5 9.696 -8.950 0.094 37 1HD PRO 5 1HD PRO 5 9.410 -6.175 -0.274 38 2HD PRO 5 2HD PRO 5 9.644 -7.302 -1.655 39 H THR 6 H THR 6 6.487 -5.216 -0.001 40 HA THR 6 HA THR 6 4.684 -5.373 2.439 41 HB THR 6 HB THR 6 5.952 -2.702 1.973 42 HG1 THR 6 HG1 THR 6 7.449 -3.719 3.716 43 1HG2 THR 6 1HG2 THR 6 4.174 -3.573 3.884 44 2HG2 THR 6 2HG2 THR 6 5.687 -4.042 4.699 45 3HG2 THR 6 3HG2 THR 6 5.407 -2.348 4.249 46 H CYS 7 H CYS 7 5.108 -2.828 -0.137 47 HA CYS 7 HA CYS 7 2.961 -2.461 -1.164 48 1HB CYS 7 1HB CYS 7 5.570 -2.654 -2.387 49 2HB CYS 7 2HB CYS 7 4.236 -2.112 -3.418 50 HG CYS 7 HG CYS 7 5.818 -0.160 -2.454 51 H ARG 8 H ARG 8 3.762 -5.166 -1.798 52 HA ARG 8 HA ARG 8 1.168 -5.723 -3.318 53 1HB ARG 8 1HB ARG 8 2.101 -7.469 -4.254 54 2HB ARG 8 2HB ARG 8 3.549 -7.456 -3.279 55 1HG ARG 8 1HG ARG 8 2.525 -8.975 -1.590 56 2HG ARG 8 2HG ARG 8 0.950 -8.829 -2.349 57 1HD ARG 8 1HD ARG 8 1.908 -9.948 -4.456 58 2HD ARG 8 2HD ARG 8 3.420 -10.217 -3.544 59 1HH1 ARG 8 1HH1 ARG 8 2.794 -12.047 -4.906 60 2HH1 ARG 8 2HH1 ARG 8 2.591 -13.849 -4.574 61 1HH2 ARG 8 1HH2 ARG 8 1.012 -13.164 -1.664 62 2HH2 ARG 8 2HH2 ARG 8 1.525 -14.453 -2.891 63 H ASN 9 H ASN 9 2.438 -6.474 -0.323 64 HA ASN 9 HA ASN 9 -0.079 -6.787 1.182 65 1HB ASN 9 2HB ASN 9 2.778 -6.250 2.046 66 2HB ASN 9 1HB ASN 9 1.392 -5.973 3.117 67 1HD2 ASN 9 2HD2 ASN 9 2.727 -8.436 0.879 68 2HD2 ASN 9 1HD2 ASN 9 2.195 -9.819 1.969 69 H ARG 10 H ARG 10 1.336 -3.553 -0.028 70 HA ARG 10 HA ARG 10 -0.885 -2.369 1.308 71 1HB ARG 10 2HB ARG 10 0.487 -0.093 1.032 72 2HB ARG 10 1HB ARG 10 1.000 -1.394 2.064 73 1HG ARG 10 1HG ARG 10 2.723 -0.538 -0.038 74 2HG ARG 10 2HG ARG 10 2.610 -2.195 0.445 75 1HD ARG 10 1HD ARG 10 1.453 -2.734 -1.408 76 2HD ARG 10 2HD ARG 10 0.439 -1.282 -1.357 77 1HH1 ARG 10 1HH1 ARG 10 0.098 -1.580 -3.428 78 2HH1 ARG 10 2HH1 ARG 10 0.704 -1.625 -5.174 79 1HH2 ARG 10 1HH2 ARG 10 3.682 -0.376 -4.124 80 2HH2 ARG 10 2HH2 ARG 10 2.612 -0.847 -5.564 81 H THR 11 H THR 11 -0.528 -3.242 -1.227 82 HA THR 11 HA THR 11 -2.308 -1.592 -2.481 83 HB THR 11 HB THR 11 -0.570 -3.450 -3.187 84 HG1 THR 11 HG1 THR 11 -1.739 -2.914 -5.539 85 1HG2 THR 11 1HG2 THR 11 -2.311 -4.948 -4.973 86 2HG2 THR 11 2HG2 THR 11 -2.671 -5.133 -3.229 87 3HG2 THR 11 3HG2 THR 11 -3.519 -3.994 -4.218 88 H ARG 12 H ARG 12 -1.852 -4.480 -1.163 89 HA ARG 12 HA ARG 12 -4.274 -5.635 -0.402 90 1HB ARG 12 2HB ARG 12 -2.565 -7.036 -0.614 91 2HB ARG 12 1HB ARG 12 -1.700 -5.647 -0.060 92 1HG ARG 12 1HG ARG 12 -3.318 -7.831 1.615 93 2HG ARG 12 2HG ARG 12 -1.568 -7.871 1.567 94 1HD ARG 12 1HD ARG 12 -1.433 -5.815 2.921 95 2HD ARG 12 2HD ARG 12 -3.170 -5.615 2.916 96 1HH1 ARG 12 1HH1 ARG 12 -4.555 -5.980 4.049 97 2HH1 ARG 12 2HH1 ARG 12 -5.172 -6.651 5.652 98 1HH2 ARG 12 1HH2 ARG 12 -2.487 -8.698 5.854 99 2HH2 ARG 12 2HH2 ARG 12 -4.072 -8.124 6.622 100 H HIS 13 H HIS 13 -2.563 -4.201 2.205 101 HA HIS 13 HA HIS 13 -4.512 -2.496 2.969 102 1HB HIS 13 1HB HIS 13 -1.791 -1.269 3.334 103 2HB HIS 13 2HB HIS 13 -2.948 -1.513 4.611 104 HD2 HIS 13 HD2 HIS 13 0.399 -2.668 3.685 105 HE1 HIS 13 HE1 HIS 13 -1.158 -5.987 5.664 106 HE2 HIS 13 HE2 HIS 13 1.043 -5.008 4.723 107 H LEU 14 H LEU 14 -3.509 -2.220 0.470 108 HA LEU 14 HA LEU 14 -4.981 0.031 0.159 109 1HB LEU 14 1HB LEU 14 -3.644 0.096 -1.773 110 2HB LEU 14 2HB LEU 14 -3.991 -1.582 -1.995 111 HG LEU 14 HG LEU 14 -6.405 -0.834 -2.278 112 1HD1 LEU 14 1HD1 LEU 14 -4.770 1.403 -3.541 113 2HD1 LEU 14 2HD1 LEU 14 -6.526 1.107 -3.866 114 3HD1 LEU 14 3HD1 LEU 14 -5.996 1.540 -2.228 115 1HD2 LEU 14 1HD2 LEU 14 -4.283 -0.974 -4.438 116 2HD2 LEU 14 2HD2 LEU 14 -5.395 -2.291 -3.892 117 3HD2 LEU 14 3HD2 LEU 14 -6.074 -0.931 -4.756 118 HA PRO 15 HA PRO 15 -8.890 -1.902 0.353 119 1HB PRO 15 1HB PRO 15 -7.585 -4.629 1.038 120 2HB PRO 15 2HB PRO 15 -9.370 -4.403 0.803 121 1HG PRO 15 1HG PRO 15 -8.122 -5.236 -1.474 122 2HG PRO 15 2HG PRO 15 -8.940 -3.652 -1.631 123 1HD PRO 15 1HD PRO 15 -6.026 -4.236 -0.924 124 2HD PRO 15 2HD PRO 15 -6.655 -3.073 -2.195 125 H LEU 16 H LEU 16 -6.474 -1.813 1.930 126 HA LEU 16 HA LEU 16 -7.812 -1.600 4.403 127 1HB LEU 16 1HB LEU 16 -5.062 -2.171 4.184 128 2HB LEU 16 2HB LEU 16 -5.073 -0.473 4.602 129 HG LEU 16 HG LEU 16 -6.878 -2.023 6.367 130 1HD1 LEU 16 1HD1 LEU 16 -5.041 -3.209 7.660 131 2HD1 LEU 16 2HD1 LEU 16 -5.151 -3.858 6.016 132 3HD1 LEU 16 3HD1 LEU 16 -3.846 -2.725 6.431 133 1HD2 LEU 16 1HD2 LEU 16 -6.047 0.277 6.924 134 2HD2 LEU 16 2HD2 LEU 16 -5.559 -0.872 8.189 135 3HD2 LEU 16 3HD2 LEU 16 -4.375 -0.320 6.976 136 H GLN 17 H GLN 17 -9.007 -0.385 2.768 137 HA GLN 17 HA GLN 17 -8.057 2.445 2.224 138 1HB GLN 17 1HB GLN 17 -9.538 2.390 0.300 139 2HB GLN 17 2HB GLN 17 -8.492 1.000 0.303 140 1HG GLN 17 1HG GLN 17 -10.263 -0.556 0.604 141 2HG GLN 17 2HG GLN 17 -11.283 0.557 1.486 142 1HE2 GLN 17 2HE2 GLN 17 -12.438 2.164 0.237 143 2HE2 GLN 17 1HE2 GLN 17 -12.832 1.758 -1.520 144 H PHE 18 H PHE 18 -8.498 3.156 4.202 145 HA PHE 18 HA PHE 18 -10.649 5.214 4.246 146 1HB PHE 18 1HB PHE 18 -7.969 4.556 5.468 147 2HB PHE 18 2HB PHE 18 -7.937 6.195 4.891 148 HD1 PHE 18 HD1 PHE 18 -8.844 4.014 7.544 149 HD2 PHE 18 HD2 PHE 18 -9.349 7.953 5.902 150 HE1 PHE 18 HE1 PHE 18 -8.877 4.886 9.735 151 HE2 PHE 18 HE2 PHE 18 -9.391 8.882 8.080 152 HZ PHE 18 HZ PHE 18 -9.193 7.387 10.137 153 H SER 19 H SER 19 -7.868 4.465 2.520 154 HA SER 19 HA SER 19 -7.806 6.712 0.450 155 1HB SER 19 1HB SER 19 -5.515 5.267 0.245 156 2HB SER 19 2HB SER 19 -5.860 6.887 0.832 157 HG SER 19 HG SER 19 -5.305 6.352 2.716 158 H ARG 20 H ARG 20 -8.624 6.333 -1.366 159 HA ARG 20 HA ARG 20 -8.184 3.724 -2.813 160 1HB ARG 20 1HB ARG 20 -10.481 5.403 -2.916 161 2HB ARG 20 2HB ARG 20 -9.811 5.365 -4.534 162 1HG ARG 20 2HG ARG 20 -10.869 2.961 -2.922 163 2HG ARG 20 1HG ARG 20 -11.527 3.601 -4.427 164 1HD ARG 20 1HD ARG 20 -9.705 2.714 -5.743 165 2HD ARG 20 2HD ARG 20 -8.666 2.501 -4.341 166 1HH1 ARG 20 1HH1 ARG 20 -8.267 0.905 -5.997 167 2HH1 ARG 20 2HH1 ARG 20 -8.568 -0.845 -6.493 168 1HH2 ARG 20 1HH2 ARG 20 -11.102 -1.061 -4.259 169 2HH2 ARG 20 2HH2 ARG 20 -9.922 -1.970 -5.359 170 H THR 21 H THR 21 -6.114 3.738 -3.361 171 HA THR 21 HA THR 21 -4.125 4.812 -3.050 172 HB THR 21 HB THR 21 -3.363 5.954 -4.986 173 HG1 THR 21 HG1 THR 21 -4.568 6.689 -6.581 174 1HG2 THR 21 1HG2 THR 21 -5.562 3.771 -5.839 175 2HG2 THR 21 2HG2 THR 21 -4.054 4.084 -6.729 176 3HG2 THR 21 3HG2 THR 21 -4.004 3.299 -5.127 177 H GLY 22 H GLY 22 -5.772 6.080 -1.328 178 1HA GLY 22 1HA GLY 22 -4.651 8.853 -1.041 179 2HA GLY 22 2HA GLY 22 -5.801 8.072 -0.008 180 HA PRO 23 HA PRO 23 -2.761 6.427 -1.601 181 1HB PRO 23 1HB PRO 23 -0.125 6.450 -1.470 182 2HB PRO 23 2HB PRO 23 -0.966 7.932 -1.056 183 1HG PRO 23 1HG PRO 23 0.143 5.744 0.871 184 2HG PRO 23 2HG PRO 23 0.502 7.486 0.943 185 1HD PRO 23 1HD PRO 23 -1.661 6.210 2.329 186 2HD PRO 23 2HD PRO 23 -1.412 7.969 1.974 187 H LEU 24 H LEU 24 -3.487 4.031 -1.858 188 HA LEU 24 HA LEU 24 -1.196 2.298 -1.218 189 1HB LEU 24 1HB LEU 24 -4.133 1.695 -0.603 190 2HB LEU 24 2HB LEU 24 -3.063 0.479 -0.450 191 HG LEU 24 HG LEU 24 -3.476 1.271 1.769 192 1HD1 LEU 24 1HD2 LEU 24 -1.377 2.051 2.792 193 2HD1 LEU 24 2HD2 LEU 24 -0.925 1.016 1.424 194 3HD1 LEU 24 3HD2 LEU 24 -0.793 2.751 1.332 195 1HD2 LEU 24 1HD1 LEU 24 -2.805 4.180 0.925 196 2HD2 LEU 24 2HD1 LEU 24 -4.447 3.530 1.249 197 3HD2 LEU 24 3HD1 LEU 24 -3.272 3.683 2.567 198 H CYS 25 H CYS 25 -1.049 -0.071 -2.427 199 HA CYS 25 HA CYS 25 0.297 2.144 -2.158 200 1HB CYS 25 2HB CYS 25 -0.113 0.559 -0.595 201 2HB CYS 25 1HB CYS 25 1.299 0.075 -1.401 202 HG CYS 25 HG CYS 25 2.089 1.008 0.871 203 HA PRO 26 HA PRO 26 2.765 2.740 -5.309 204 1HB PRO 26 1HB PRO 26 1.870 2.583 -7.822 205 2HB PRO 26 2HB PRO 26 2.279 1.021 -7.073 206 1HG PRO 26 1HG PRO 26 -0.466 2.368 -7.269 207 2HG PRO 26 2HG PRO 26 0.004 0.683 -7.659 208 1HD PRO 26 2HD PRO 26 -1.019 1.554 -5.087 209 2HD PRO 26 1HD PRO 26 -0.260 -0.026 -5.512 210 H ALA 27 H ALA 27 -0.058 3.304 -3.874 211 HA ALA 27 HA ALA 27 0.149 6.281 -4.663 212 1HB ALA 27 1HB ALA 27 -2.096 5.465 -4.100 213 2HB ALA 27 2HB ALA 27 -1.511 4.704 -2.614 214 3HB ALA 27 3HB ALA 27 -1.502 6.478 -2.758 215 H CYS 28 H CYS 28 2.056 3.940 -3.334 216 HA CYS 28 HA CYS 28 2.808 5.424 -0.905 217 1HB CYS 28 1HB CYS 28 3.090 3.375 -0.186 218 2HB CYS 28 2HB CYS 28 3.095 2.764 -1.793 219 HG CYS 28 HG CYS 28 5.492 2.296 -1.992 220 H MET 29 H MET 29 4.064 6.972 -0.561 221 HA MET 29 HA MET 29 6.714 7.268 -2.022 222 1HB MET 29 1HB MET 29 6.632 9.752 -1.599 223 2HB MET 29 2HB MET 29 5.439 9.164 -2.747 224 1HG MET 29 1HG MET 29 3.684 9.238 -0.839 225 2HG MET 29 2HG MET 29 4.912 9.946 0.204 226 1HE MET 29 1HE MET 29 2.139 12.662 -1.248 227 2HE MET 29 2HE MET 29 1.894 10.959 -1.748 228 3HE MET 29 3HE MET 29 2.319 11.342 -0.054 229 H LYS 30 H LYS 30 6.651 5.560 -0.209 230 HA LYS 30 HA LYS 30 7.251 6.622 2.474 231 1HB LYS 30 1HB LYS 30 5.929 4.029 1.512 232 2HB LYS 30 2HB LYS 30 6.568 4.148 3.134 233 1HG LYS 30 1HG LYS 30 4.365 4.702 3.570 234 2HG LYS 30 2HG LYS 30 5.101 6.285 3.453 235 1HD LYS 30 1HD LYS 30 4.068 6.702 1.269 236 2HD LYS 30 2HD LYS 30 3.825 5.019 0.959 237 1HE LYS 30 1HE LYS 30 2.228 6.784 2.934 238 2HE LYS 30 2HE LYS 30 1.612 6.172 1.428 239 1HZ LYS 30 1HZ LYS 30 2.486 4.528 3.781 240 2HZ LYS 30 2HZ LYS 30 1.940 3.883 2.410 241 H ALA 31 H ALA 31 9.525 6.942 2.300 242 HA ALA 31 HA ALA 31 11.885 6.442 1.889 243 1HB ALA 31 1HB ALA 31 12.470 4.477 3.332 244 2HB ALA 31 2HB ALA 31 11.225 5.456 4.118 245 3HB ALA 31 3HB ALA 31 10.794 3.915 3.335 Start of MODEL 15 1 1H ILE 1 1H ILE 1 10.720 2.453 4.134 2 2H ILE 1 2H ILE 1 10.721 1.929 5.679 3 HA ILE 1 HA ILE 1 9.281 0.111 5.176 4 HB ILE 1 HB ILE 1 8.136 2.434 4.166 5 1HG1 ILE 1 1HG1 ILE 1 7.656 2.439 7.025 6 2HG1 ILE 1 2HG1 ILE 1 9.379 2.400 6.704 7 1HG2 ILE 1 1HG2 ILE 1 5.992 1.700 5.428 8 2HG2 ILE 1 2HG2 ILE 1 6.476 0.570 4.161 9 3HG2 ILE 1 3HG2 ILE 1 6.861 0.204 5.857 10 1HD1 ILE 1 1HD1 ILE 1 8.601 4.769 6.714 11 2HD1 ILE 1 2HD1 ILE 1 9.228 4.320 5.105 12 3HD1 ILE 1 3HD1 ILE 1 7.472 4.427 5.365 13 H CYS 2 H CYS 2 8.369 1.845 2.389 14 HA CYS 2 HA CYS 2 8.433 -0.503 0.725 15 1HB CYS 2 2HB CYS 2 7.538 2.309 0.156 16 2HB CYS 2 1HB CYS 2 7.132 0.919 -0.836 17 HG CYS 2 HG CYS 2 5.085 1.675 0.610 18 H GLU 3 H GLU 3 10.400 -0.109 -2.152 19 HA GLU 3 HA GLU 3 10.599 -2.437 -1.630 20 1HB GLU 3 1HB GLU 3 10.772 -1.316 0.869 21 2HB GLU 3 2HB GLU 3 9.200 -2.079 1.070 22 1HG GLU 3 2HG GLU 3 10.283 -4.094 1.499 23 2HG GLU 3 1HG GLU 3 11.038 -4.067 -0.092 24 HE2 GLU 3 HE2 GLU 3 13.348 -3.880 2.859 25 H GLU 4 H GLU 4 9.352 -3.009 -3.259 26 HA GLU 4 HA GLU 4 6.454 -3.026 -2.981 27 1HB GLU 4 1HB GLU 4 8.075 -4.290 -5.278 28 2HB GLU 4 2HB GLU 4 6.479 -3.580 -5.376 29 1HG GLU 4 1HG GLU 4 7.625 -1.708 -6.190 30 2HG GLU 4 2HG GLU 4 7.956 -1.347 -4.498 31 HE2 GLU 4 HE2 GLU 4 10.901 -3.427 -6.203 32 HA PRO 5 HA PRO 5 5.446 -7.178 -1.960 33 1HB PRO 5 1HB PRO 5 7.079 -8.737 -0.374 34 2HB PRO 5 2HB PRO 5 7.270 -8.762 -2.137 35 1HG PRO 5 1HG PRO 5 8.875 -7.101 -0.114 36 2HG PRO 5 2HG PRO 5 9.521 -8.159 -1.386 37 1HD PRO 5 1HD PRO 5 9.153 -5.393 -1.630 38 2HD PRO 5 2HD PRO 5 9.172 -6.470 -3.069 39 H THR 6 H THR 6 6.375 -4.533 -0.756 40 HA THR 6 HA THR 6 5.278 -4.858 2.070 41 HB THR 6 HB THR 6 6.644 -2.266 1.402 42 HG1 THR 6 HG1 THR 6 7.842 -4.742 1.820 43 1HG2 THR 6 1HG2 THR 6 6.731 -1.995 3.748 44 2HG2 THR 6 2HG2 THR 6 5.296 -3.048 3.670 45 3HG2 THR 6 3HG2 THR 6 6.883 -3.735 4.066 46 H CYS 7 H CYS 7 4.998 -2.046 -0.302 47 HA CYS 7 HA CYS 7 2.639 -1.864 -0.662 48 1HB CYS 7 2HB CYS 7 3.813 -2.039 -3.334 49 2HB CYS 7 1HB CYS 7 3.122 -0.585 -2.652 50 HG CYS 7 HG CYS 7 5.564 -0.316 -3.582 51 H ARG 8 H ARG 8 3.515 -4.316 -1.841 52 HA ARG 8 HA ARG 8 0.871 -5.108 -3.167 53 1HB ARG 8 1HB ARG 8 1.917 -6.514 -4.404 54 2HB ARG 8 2HB ARG 8 3.471 -6.321 -3.634 55 1HG ARG 8 1HG ARG 8 3.128 -8.231 -2.161 56 2HG ARG 8 2HG ARG 8 1.393 -8.220 -2.416 57 1HD ARG 8 1HD ARG 8 1.871 -8.852 -4.907 58 2HD ARG 8 2HD ARG 8 3.553 -9.146 -4.385 59 1HH1 ARG 8 1HH1 ARG 8 0.760 -10.084 -5.548 60 2HH1 ARG 8 2HH1 ARG 8 0.003 -11.763 -5.569 61 1HH2 ARG 8 1HH2 ARG 8 1.761 -12.620 -2.810 62 2HH2 ARG 8 2HH2 ARG 8 0.490 -13.113 -4.063 63 H ASN 9 H ASN 9 2.635 -5.825 -0.457 64 HA ASN 9 HA ASN 9 0.515 -6.757 1.378 65 1HB ASN 9 2HB ASN 9 3.328 -5.692 1.779 66 2HB ASN 9 1HB ASN 9 2.183 -5.896 3.112 67 1HD2 ASN 9 2HD2 ASN 9 3.406 -7.524 4.037 68 2HD2 ASN 9 1HD2 ASN 9 3.552 -9.165 3.218 69 H ARG 10 H ARG 10 1.403 -3.377 0.497 70 HA ARG 10 HA ARG 10 -1.022 -2.333 1.784 71 1HB ARG 10 2HB ARG 10 0.548 -0.090 0.896 72 2HB ARG 10 1HB ARG 10 0.042 -0.549 2.491 73 1HG ARG 10 2HG ARG 10 2.170 -2.031 2.703 74 2HG ARG 10 1HG ARG 10 2.777 -1.290 1.235 75 1HD ARG 10 1HD ARG 10 3.756 0.037 2.828 76 2HD ARG 10 2HD ARG 10 2.285 0.985 2.549 77 1HH1 ARG 10 1HH1 ARG 10 2.738 2.292 4.065 78 2HH1 ARG 10 2HH1 ARG 10 2.122 2.786 5.730 79 1HH2 ARG 10 1HH2 ARG 10 1.247 -0.409 6.389 80 2HH2 ARG 10 2HH2 ARG 10 1.426 1.319 7.030 81 H THR 11 H THR 11 -0.683 -3.117 -0.720 82 HA THR 11 HA THR 11 -2.397 -1.689 -2.237 83 HB THR 11 HB THR 11 -0.690 -3.902 -2.527 84 HG1 THR 11 HG1 THR 11 0.161 -2.915 -4.270 85 1HG2 THR 11 1HG2 THR 11 -2.113 -4.531 -5.020 86 2HG2 THR 11 2HG2 THR 11 -3.081 -4.746 -3.529 87 3HG2 THR 11 3HG2 THR 11 -3.153 -3.289 -4.458 88 H ARG 12 H ARG 12 -1.818 -4.482 -0.786 89 HA ARG 12 HA ARG 12 -4.150 -5.796 -0.047 90 1HB ARG 12 2HB ARG 12 -2.284 -7.042 -0.178 91 2HB ARG 12 1HB ARG 12 -1.579 -5.565 0.410 92 1HG ARG 12 1HG ARG 12 -2.686 -8.062 1.996 93 2HG ARG 12 2HG ARG 12 -1.078 -7.383 2.174 94 1HD ARG 12 1HD ARG 12 -1.895 -5.515 3.450 95 2HD ARG 12 2HD ARG 12 -3.573 -5.842 3.086 96 1HH1 ARG 12 1HH1 ARG 12 -4.964 -6.402 4.097 97 2HH1 ARG 12 2HH1 ARG 12 -5.643 -7.144 5.641 98 1HH2 ARG 12 1HH2 ARG 12 -2.631 -8.521 6.333 99 2HH2 ARG 12 2HH2 ARG 12 -4.401 -8.311 6.834 100 H HIS 13 H HIS 13 -2.439 -4.214 2.362 101 HA HIS 13 HA HIS 13 -4.621 -2.550 3.258 102 1HB HIS 13 1HB HIS 13 -1.750 -1.495 3.566 103 2HB HIS 13 2HB HIS 13 -2.994 -1.372 4.776 104 HD2 HIS 13 HD2 HIS 13 -3.706 -4.333 5.521 105 HE1 HIS 13 HE1 HIS 13 0.371 -5.046 6.001 106 HE2 HIS 13 HE2 HIS 13 -1.960 -6.031 6.541 107 H LEU 14 H LEU 14 -3.580 -2.305 0.773 108 HA LEU 14 HA LEU 14 -5.074 -0.117 0.393 109 1HB LEU 14 1HB LEU 14 -3.677 -0.075 -1.547 110 2HB LEU 14 2HB LEU 14 -4.066 -1.743 -1.782 111 HG LEU 14 HG LEU 14 -6.459 -0.951 -2.074 112 1HD1 LEU 14 1HD1 LEU 14 -4.766 1.312 -3.235 113 2HD1 LEU 14 2HD1 LEU 14 -6.522 1.060 -3.592 114 3HD1 LEU 14 3HD1 LEU 14 -6.006 1.417 -1.932 115 1HD2 LEU 14 1HD2 LEU 14 -4.319 -1.044 -4.229 116 2HD2 LEU 14 2HD2 LEU 14 -5.441 -2.372 -3.733 117 3HD2 LEU 14 3HD2 LEU 14 -6.106 -0.981 -4.559 118 HA PRO 15 HA PRO 15 -8.950 -2.121 0.493 119 1HB PRO 15 1HB PRO 15 -7.561 -4.817 1.214 120 2HB PRO 15 2HB PRO 15 -9.352 -4.648 0.975 121 1HG PRO 15 1HG PRO 15 -8.082 -5.433 -1.304 122 2HG PRO 15 2HG PRO 15 -8.936 -3.867 -1.454 123 1HD PRO 15 1HD PRO 15 -6.014 -4.391 -0.747 124 2HD PRO 15 2HD PRO 15 -6.668 -3.218 -2.003 125 H LEU 16 H LEU 16 -6.581 -1.972 2.138 126 HA LEU 16 HA LEU 16 -7.972 -1.755 4.548 127 1HB LEU 16 1HB LEU 16 -5.261 -2.241 4.518 128 2HB LEU 16 2HB LEU 16 -5.270 -0.501 4.689 129 HG LEU 16 HG LEU 16 -7.055 -2.010 6.590 130 1HD1 LEU 16 1HD2 LEU 16 -3.983 -2.023 6.864 131 2HD1 LEU 16 2HD2 LEU 16 -5.100 -2.483 8.169 132 3HD1 LEU 16 3HD2 LEU 16 -5.027 -3.447 6.671 133 1HD2 LEU 16 1HD1 LEU 16 -6.093 -0.321 8.261 134 2HD2 LEU 16 2HD1 LEU 16 -5.043 0.333 6.994 135 3HD2 LEU 16 3HD1 LEU 16 -6.807 0.489 6.844 136 H GLN 17 H GLN 17 -9.269 -0.648 2.916 137 HA GLN 17 HA GLN 17 -8.332 2.117 2.101 138 1HB GLN 17 1HB GLN 17 -9.934 1.868 0.231 139 2HB GLN 17 2HB GLN 17 -8.745 0.600 0.288 140 1HG GLN 17 1HG GLN 17 -10.568 -0.920 1.423 141 2HG GLN 17 2HG GLN 17 -11.742 0.321 1.045 142 1HE2 GLN 17 2HE2 GLN 17 -10.812 1.060 -1.516 143 2HE2 GLN 17 1HE2 GLN 17 -11.095 -0.408 -2.600 144 H PHE 18 H PHE 18 -8.772 2.999 4.018 145 HA PHE 18 HA PHE 18 -10.904 5.074 3.873 146 1HB PHE 18 1HB PHE 18 -8.306 4.469 5.234 147 2HB PHE 18 2HB PHE 18 -8.131 6.008 4.446 148 HD1 PHE 18 HD1 PHE 18 -9.098 4.326 7.364 149 HD2 PHE 18 HD2 PHE 18 -9.618 7.948 5.112 150 HE1 PHE 18 HE1 PHE 18 -9.130 5.539 9.388 151 HE2 PHE 18 HE2 PHE 18 -9.662 9.215 7.113 152 HZ PHE 18 HZ PHE 18 -9.455 8.071 9.382 153 H SER 19 H SER 19 -8.127 4.147 2.253 154 HA SER 19 HA SER 19 -7.893 6.287 0.087 155 1HB SER 19 1HB SER 19 -5.649 4.660 0.200 156 2HB SER 19 2HB SER 19 -5.929 6.379 0.427 157 HG SER 19 HG SER 19 -5.231 6.026 2.333 158 H ARG 20 H ARG 20 -8.589 5.844 -1.766 159 HA ARG 20 HA ARG 20 -8.067 3.183 -3.054 160 1HB ARG 20 2HB ARG 20 -10.538 3.571 -3.319 161 2HB ARG 20 1HB ARG 20 -10.124 5.160 -3.928 162 1HG ARG 20 2HG ARG 20 -10.826 3.623 -5.791 163 2HG ARG 20 1HG ARG 20 -9.156 4.135 -6.035 164 1HD ARG 20 1HD ARG 20 -8.289 1.974 -5.243 165 2HD ARG 20 2HD ARG 20 -9.874 1.474 -4.668 166 1HH1 ARG 20 1HH1 ARG 20 -10.662 -0.072 -5.190 167 2HH1 ARG 20 2HH1 ARG 20 -11.180 -1.303 -6.459 168 1HH2 ARG 20 1HH2 ARG 20 -9.646 0.504 -8.870 169 2HH2 ARG 20 2HH2 ARG 20 -10.677 -0.977 -8.453 170 H THR 21 H THR 21 -5.948 3.445 -3.246 171 HA THR 21 HA THR 21 -4.027 4.562 -3.334 172 HB THR 21 HB THR 21 -3.404 5.440 -5.296 173 HG1 THR 21 HG1 THR 21 -4.595 6.657 -6.705 174 1HG2 THR 21 1HG2 THR 21 -6.275 4.239 -6.088 175 2HG2 THR 21 2HG2 THR 21 -4.840 4.199 -7.138 176 3HG2 THR 21 3HG2 THR 21 -4.906 3.187 -5.670 177 H GLY 22 H GLY 22 -5.724 5.653 -1.516 178 1HA GLY 22 1HA GLY 22 -4.782 8.476 -1.074 179 2HA GLY 22 2HA GLY 22 -5.922 7.586 -0.121 180 HA PRO 23 HA PRO 23 -2.701 6.225 -1.640 181 1HB PRO 23 1HB PRO 23 -0.075 6.524 -1.392 182 2HB PRO 23 2HB PRO 23 -1.099 7.893 -1.001 183 1HG PRO 23 1HG PRO 23 0.235 5.849 0.935 184 2HG PRO 23 2HG PRO 23 0.282 7.624 1.069 185 1HD PRO 23 2HD PRO 23 -1.583 5.811 2.170 186 2HD PRO 23 1HD PRO 23 -1.806 7.610 2.212 187 H LEU 24 H LEU 24 -3.309 3.846 -1.829 188 HA LEU 24 HA LEU 24 -1.059 2.065 -1.113 189 1HB LEU 24 1HB LEU 24 -3.947 1.333 -0.525 190 2HB LEU 24 2HB LEU 24 -2.690 0.483 0.061 191 HG LEU 24 HG LEU 24 -2.043 2.941 1.231 192 1HD1 LEU 24 1HD2 LEU 24 -4.035 4.175 1.984 193 2HD1 LEU 24 2HD2 LEU 24 -4.159 4.059 0.219 194 3HD1 LEU 24 3HD2 LEU 24 -5.136 3.066 1.265 195 1HD2 LEU 24 1HD1 LEU 24 -4.222 1.038 2.351 196 2HD2 LEU 24 2HD1 LEU 24 -2.450 0.830 2.544 197 3HD2 LEU 24 3HD1 LEU 24 -3.279 2.188 3.325 198 H CYS 25 H CYS 25 -1.106 -0.331 -2.159 199 HA CYS 25 HA CYS 25 0.499 1.541 -1.916 200 1HB CYS 25 1HB CYS 25 0.437 -0.309 -0.652 201 2HB CYS 25 2HB CYS 25 1.524 -0.666 -1.911 202 HG CYS 25 HG CYS 25 3.320 -0.136 -0.346 203 HA PRO 26 HA PRO 26 2.418 2.458 -5.416 204 1HB PRO 26 1HB PRO 26 1.491 2.105 -7.926 205 2HB PRO 26 2HB PRO 26 2.152 0.654 -7.136 206 1HG PRO 26 1HG PRO 26 -0.770 1.538 -7.352 207 2HG PRO 26 2HG PRO 26 -0.042 -0.081 -7.608 208 1HD PRO 26 2HD PRO 26 -1.182 0.876 -5.098 209 2HD PRO 26 1HD PRO 26 -0.276 -0.651 -5.422 210 H ALA 27 H ALA 27 -0.195 2.907 -3.847 211 HA ALA 27 HA ALA 27 -0.224 5.797 -4.943 212 1HB ALA 27 1HB ALA 27 -2.456 5.012 -4.325 213 2HB ALA 27 2HB ALA 27 -1.880 4.410 -2.765 214 3HB ALA 27 3HB ALA 27 -1.896 6.161 -3.083 215 H CYS 28 H CYS 28 1.727 3.627 -3.375 216 HA CYS 28 HA CYS 28 2.317 5.222 -1.010 217 1HB CYS 28 1HB CYS 28 3.277 3.420 -0.177 218 2HB CYS 28 2HB CYS 28 2.753 2.662 -1.629 219 HG CYS 28 HG CYS 28 5.683 3.460 -0.534 220 H MET 29 H MET 29 3.618 6.663 -0.364 221 HA MET 29 HA MET 29 6.164 7.326 -1.884 222 1HB MET 29 1HB MET 29 4.315 9.217 -1.811 223 2HB MET 29 2HB MET 29 4.796 9.425 -0.134 224 1HG MET 29 1HG MET 29 6.130 11.029 -1.302 225 2HG MET 29 2HG MET 29 7.265 9.703 -1.075 226 1HE MET 29 1HE MET 29 8.071 11.697 -2.827 227 2HE MET 29 2HE MET 29 8.062 11.345 -4.583 228 3HE MET 29 3HE MET 29 6.698 12.231 -3.841 229 H LYS 30 H LYS 30 6.346 5.297 -0.456 230 HA LYS 30 HA LYS 30 7.318 5.890 2.262 231 1HB LYS 30 1HB LYS 30 6.221 3.288 1.031 232 2HB LYS 30 2HB LYS 30 6.927 3.367 2.627 233 1HG LYS 30 1HG LYS 30 4.586 3.456 3.027 234 2HG LYS 30 2HG LYS 30 5.206 5.056 3.365 235 1HD LYS 30 1HD LYS 30 4.365 5.781 1.014 236 2HD LYS 30 2HD LYS 30 3.756 4.181 0.770 237 1HE LYS 30 1HE LYS 30 2.055 6.011 1.483 238 2HE LYS 30 2HE LYS 30 1.907 4.526 2.372 239 1HZ LYS 30 1HZ LYS 30 3.310 7.034 3.213 240 2HZ LYS 30 2HZ LYS 30 3.466 5.672 4.059 241 H ALA 31 H ALA 31 9.263 5.025 3.152 242 HA ALA 31 HA ALA 31 11.735 5.157 2.943 243 1HB ALA 31 1HB ALA 31 12.346 2.850 2.173 244 2HB ALA 31 2HB ALA 31 10.892 2.788 3.177 245 3HB ALA 31 3HB ALA 31 10.768 2.631 1.406
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