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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 | bmrb_id | cing | stage | position | program | type |
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4802 |
1fu9 ![]() ![]() |
4939 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 1HT GLY 1 -21.770 9.927 -22.194 2 2H GLY 1 2HT GLY 1 -21.116 8.616 -23.039 3 3H GLY 1 3HT GLY 1 -20.250 10.064 -22.923 4 1HA GLY 1 1HA GLY 1 -20.095 9.773 -20.504 5 2HA GLY 1 2HA GLY 1 -20.907 8.226 -20.687 6 H SER 2 H SER 2 -18.055 9.333 -19.967 7 HA SER 2 HA SER 2 -16.470 7.722 -21.814 8 1HB SER 2 2HB SER 2 -15.807 9.767 -19.715 9 2HB SER 2 1HB SER 2 -14.563 8.669 -20.310 10 HG SER 2 HG SER 2 -15.729 10.826 -21.531 11 H ALA 3 H ALA 3 -15.537 5.822 -21.303 12 HA ALA 3 HA ALA 3 -16.347 4.544 -18.833 13 1HB ALA 3 1HB ALA 3 -14.618 3.303 -20.948 14 2HB ALA 3 2HB ALA 3 -16.361 3.470 -21.154 15 3HB ALA 3 3HB ALA 3 -15.717 2.516 -19.816 16 H ALA 4 H ALA 4 -14.768 6.500 -18.026 17 HA ALA 4 HA ALA 4 -11.992 5.828 -17.941 18 1HB ALA 4 1HB ALA 4 -13.709 7.881 -16.617 19 2HB ALA 4 2HB ALA 4 -12.336 8.095 -17.702 20 3HB ALA 4 3HB ALA 4 -12.070 7.599 -16.030 21 H GLU 5 H GLU 5 -14.086 6.309 -15.113 22 HA GLU 5 HA GLU 5 -14.236 5.216 -13.126 23 1HB GLU 5 2HB GLU 5 -15.057 3.397 -14.606 24 2HB GLU 5 1HB GLU 5 -13.411 2.794 -14.737 25 1HG GLU 5 2HG GLU 5 -13.461 2.610 -12.194 26 2HG GLU 5 1HG GLU 5 -15.205 2.824 -12.339 27 H VAL 6 H VAL 6 -12.464 6.371 -12.249 28 HA VAL 6 HA VAL 6 -9.853 5.059 -12.302 29 HB VAL 6 HB VAL 6 -10.571 7.669 -10.966 30 1HG1 VAL 6 1HG1 VAL 6 -8.179 8.103 -11.079 31 2HG1 VAL 6 2HG1 VAL 6 -7.919 6.544 -11.862 32 3HG1 VAL 6 3HG1 VAL 6 -8.499 6.608 -10.198 33 1HG2 VAL 6 1HG2 VAL 6 -9.390 8.613 -13.060 34 2HG2 VAL 6 2HG2 VAL 6 -11.078 8.115 -13.191 35 3HG2 VAL 6 3HG2 VAL 6 -9.799 7.063 -13.796 36 H MET 7 H MET 7 -8.739 4.466 -10.410 37 HA MET 7 HA MET 7 -9.761 4.716 -7.803 38 1HB MET 7 2HB MET 7 -10.300 2.241 -7.485 39 2HB MET 7 1HB MET 7 -11.499 3.215 -8.325 40 1HG MET 7 2HG MET 7 -10.644 2.384 -10.471 41 2HG MET 7 1HG MET 7 -9.491 1.373 -9.602 42 1HE MET 7 1HE MET 7 -13.067 2.436 -9.852 43 2HE MET 7 2HE MET 7 -13.446 1.697 -8.296 44 3HE MET 7 3HE MET 7 -14.022 0.956 -9.789 45 H LYS 8 H LYS 8 -7.413 5.313 -8.080 46 HA LYS 8 HA LYS 8 -5.613 3.014 -8.015 47 1HB LYS 8 2HB LYS 8 -5.072 5.987 -8.107 48 2HB LYS 8 1HB LYS 8 -3.814 4.760 -8.027 49 1HG LYS 8 2HG LYS 8 -3.837 4.993 -10.262 50 2HG LYS 8 1HG LYS 8 -5.189 3.864 -10.153 51 1HD LYS 8 2HD LYS 8 -6.707 5.429 -10.730 52 2HD LYS 8 1HD LYS 8 -5.894 6.700 -9.815 53 1HE LYS 8 2HE LYS 8 -4.111 6.219 -11.829 54 2HE LYS 8 1HE LYS 8 -5.656 5.961 -12.639 55 1HZ LYS 8 1HZ LYS 8 -4.524 8.409 -11.537 56 2HZ LYS 8 2HZ LYS 8 -6.195 8.208 -11.371 57 3HZ LYS 8 3HZ LYS 8 -5.489 8.184 -12.908 58 H LYS 9 H LYS 9 -7.229 3.000 -5.868 59 HA LYS 9 HA LYS 9 -5.351 3.266 -3.701 60 1HB LYS 9 2HB LYS 9 -7.839 4.964 -3.822 61 2HB LYS 9 1HB LYS 9 -7.039 4.578 -2.305 62 1HG LYS 9 2HG LYS 9 -6.019 6.549 -2.726 63 2HG LYS 9 1HG LYS 9 -4.932 5.502 -3.642 64 1HD LYS 9 2HD LYS 9 -5.360 6.808 -5.401 65 2HD LYS 9 1HD LYS 9 -6.965 6.074 -5.433 66 1HE LYS 9 2HE LYS 9 -7.227 8.453 -5.451 67 2HE LYS 9 1HE LYS 9 -7.740 7.852 -3.875 68 1HZ LYS 9 1HZ LYS 9 -5.466 8.438 -3.067 69 2HZ LYS 9 2HZ LYS 9 -6.420 9.763 -3.508 70 3HZ LYS 9 3HZ LYS 9 -5.197 9.222 -4.543 71 H TYR 10 H TYR 10 -6.470 1.021 -4.825 72 HA TYR 10 HA TYR 10 -7.672 -0.204 -2.545 73 1HB TYR 10 2HB TYR 10 -9.674 0.860 -3.463 74 2HB TYR 10 1HB TYR 10 -9.365 0.122 -5.031 75 HD1 TYR 10 1HD TYR 10 -9.684 -2.302 -5.346 76 HD2 TYR 10 2HD TYR 10 -10.667 -0.393 -1.674 77 HE1 TYR 10 1HE TYR 10 -11.015 -4.262 -4.690 78 HE2 TYR 10 2HE TYR 10 -12.000 -2.348 -1.007 79 HH TYR 10 HH TYR 10 -11.863 -5.322 -2.675 80 H CYS 11 H CYS 11 -6.430 -1.963 -2.511 81 HA CYS 11 HA CYS 11 -5.572 -3.240 -4.966 82 1HB CYS 11 2HB CYS 11 -4.112 -2.925 -2.902 83 2HB CYS 11 1HB CYS 11 -5.064 -4.201 -2.150 84 H SER 12 H SER 12 -7.456 -4.093 -5.844 85 HA SER 12 HA SER 12 -9.458 -5.503 -4.582 86 1HB SER 12 2HB SER 12 -9.867 -6.583 -6.787 87 2HB SER 12 1HB SER 12 -9.640 -4.839 -6.910 88 HG SER 12 HG SER 12 -8.324 -6.699 -8.196 89 H THR 13 H THR 13 -6.368 -6.725 -5.801 90 HA THR 13 HA THR 13 -6.816 -9.451 -5.420 91 HB THR 13 HB THR 13 -4.138 -8.172 -4.934 92 HG1 THR 13 1HG THR 13 -5.300 -8.637 -7.475 93 1HG2 THR 13 1HG2 THR 13 -3.454 -10.114 -6.440 94 2HG2 THR 13 2HG2 THR 13 -5.059 -10.766 -6.105 95 3HG2 THR 13 3HG2 THR 13 -3.929 -10.483 -4.781 96 H CYS 14 H CYS 14 -5.968 -6.939 -3.141 97 HA CYS 14 HA CYS 14 -5.609 -8.898 -1.005 98 1HB CYS 14 2HB CYS 14 -5.009 -5.970 -1.289 99 2HB CYS 14 1HB CYS 14 -5.061 -6.727 0.293 100 H ASP 15 H ASP 15 -7.897 -6.622 -2.234 101 HA ASP 15 HA ASP 15 -10.059 -6.202 -1.655 102 1HB ASP 15 2HB ASP 15 -9.779 -8.711 -0.769 103 2HB ASP 15 1HB ASP 15 -9.986 -7.907 0.784 104 H ILE 16 H ILE 16 -8.262 -4.370 -0.938 105 HA ILE 16 HA ILE 16 -9.407 -3.287 1.506 106 HB ILE 16 HB ILE 16 -6.414 -3.256 1.261 107 1HG1 ILE 16 2HG1 ILE 16 -8.055 -5.301 2.777 108 2HG1 ILE 16 1HG1 ILE 16 -7.124 -5.625 1.319 109 1HG2 ILE 16 1HG2 ILE 16 -6.875 -1.736 2.865 110 2HG2 ILE 16 2HG2 ILE 16 -6.963 -3.173 3.885 111 3HG2 ILE 16 3HG2 ILE 16 -8.441 -2.451 3.247 112 1HD1 ILE 16 1HD1 ILE 16 -5.811 -6.384 3.104 113 2HD1 ILE 16 2HD1 ILE 16 -6.113 -4.929 4.053 114 3HD1 ILE 16 3HD1 ILE 16 -5.095 -4.849 2.615 115 H SER 17 H SER 17 -8.765 -0.994 1.835 116 HA SER 17 HA SER 17 -7.971 0.326 -0.672 117 1HB SER 17 2HB SER 17 -10.560 0.300 0.195 118 2HB SER 17 1HB SER 17 -9.961 1.775 0.955 119 HG SER 17 HG SER 17 -10.800 1.627 -1.439 120 H PHE 18 H PHE 18 -7.122 2.485 -0.403 121 HA PHE 18 HA PHE 18 -6.291 3.183 2.318 122 1HB PHE 18 2HB PHE 18 -4.340 3.191 0.014 123 2HB PHE 18 1HB PHE 18 -3.995 3.442 1.722 124 HD1 PHE 18 1HD PHE 18 -3.881 1.578 3.258 125 HD2 PHE 18 2HD PHE 18 -4.710 0.974 -0.872 126 HE1 PHE 18 1HE PHE 18 -3.410 -0.822 3.519 127 HE2 PHE 18 2HE PHE 18 -4.241 -1.428 -0.618 128 HZ PHE 18 HZ PHE 18 -3.591 -2.329 1.579 129 H ASN 19 H ASN 19 -6.956 5.187 2.665 130 HA ASN 19 HA ASN 19 -7.836 6.962 0.693 131 1HB ASN 19 2HB ASN 19 -8.164 6.900 3.325 132 2HB ASN 19 1HB ASN 19 -6.823 8.041 3.285 133 1HD2 ASN 19 1HD2 ASN 19 -9.907 7.434 1.638 134 2HD2 ASN 19 2HD2 ASN 19 -10.392 9.091 1.572 135 H TYR 20 H TYR 20 -4.702 6.626 2.266 136 HA TYR 20 HA TYR 20 -3.641 8.939 0.853 137 1HB TYR 20 2HB TYR 20 -2.096 7.019 2.592 138 2HB TYR 20 1HB TYR 20 -1.679 8.678 2.175 139 HD1 TYR 20 1HD TYR 20 -4.145 10.133 2.717 140 HD2 TYR 20 2HD TYR 20 -2.344 6.955 4.897 141 HE1 TYR 20 1HE TYR 20 -5.243 10.927 4.769 142 HE2 TYR 20 2HE TYR 20 -3.438 7.739 6.956 143 HH TYR 20 HH TYR 20 -4.795 10.744 7.287 144 H VAL 21 H VAL 21 -2.619 8.837 -1.033 145 HA VAL 21 HA VAL 21 -2.432 6.479 -2.537 146 HB VAL 21 HB VAL 21 -0.821 8.997 -2.973 147 1HG1 VAL 21 1HG1 VAL 21 -1.444 6.594 -4.614 148 2HG1 VAL 21 2HG1 VAL 21 0.050 7.525 -4.493 149 3HG1 VAL 21 3HG1 VAL 21 -1.309 8.156 -5.423 150 1HG2 VAL 21 1HG2 VAL 21 -3.284 8.640 -4.517 151 2HG2 VAL 21 2HG2 VAL 21 -2.630 10.080 -3.737 152 3HG2 VAL 21 3HG2 VAL 21 -3.542 8.904 -2.793 153 H LYS 22 H LYS 22 -0.077 8.155 -0.522 154 HA LYS 22 HA LYS 22 2.243 6.826 -1.276 155 1HB LYS 22 2HB LYS 22 3.007 7.293 1.089 156 2HB LYS 22 1HB LYS 22 2.439 8.690 0.183 157 1HG LYS 22 2HG LYS 22 0.160 7.801 1.433 158 2HG LYS 22 1HG LYS 22 1.417 7.509 2.636 159 1HD LYS 22 2HD LYS 22 1.534 10.116 1.262 160 2HD LYS 22 1HD LYS 22 0.149 9.872 2.327 161 1HE LYS 22 2HE LYS 22 1.486 9.602 4.210 162 2HE LYS 22 1HE LYS 22 2.918 9.217 3.256 163 1HZ LYS 22 1HZ LYS 22 2.425 11.690 2.421 164 2HZ LYS 22 2HZ LYS 22 3.430 11.341 3.735 165 3HZ LYS 22 3HZ LYS 22 1.826 11.803 3.999 166 H THR 23 H THR 23 -0.401 5.775 0.744 167 HA THR 23 HA THR 23 0.871 3.545 1.930 168 HB THR 23 HB THR 23 -2.069 3.751 1.305 169 HG1 THR 23 1HG THR 23 -2.306 5.049 3.049 170 1HG2 THR 23 1HG2 THR 23 -1.580 1.670 2.305 171 2HG2 THR 23 2HG2 THR 23 -2.257 2.695 3.571 172 3HG2 THR 23 3HG2 THR 23 -0.517 2.415 3.499 173 H TYR 24 H TYR 24 -1.226 3.852 -0.925 174 HA TYR 24 HA TYR 24 -1.214 1.145 -1.654 175 1HB TYR 24 2HB TYR 24 -2.636 3.137 -2.555 176 2HB TYR 24 1HB TYR 24 -1.316 3.342 -3.701 177 HD1 TYR 24 1HD TYR 24 -3.443 0.569 -2.356 178 HD2 TYR 24 2HD TYR 24 -1.566 2.321 -5.748 179 HE1 TYR 24 1HE TYR 24 -4.429 -1.168 -3.791 180 HE2 TYR 24 2HE TYR 24 -2.547 0.591 -7.193 181 HH TYR 24 HH TYR 24 -4.515 -0.950 -7.146 182 H LEU 25 H LEU 25 1.054 3.736 -2.249 183 HA LEU 25 HA LEU 25 2.584 2.418 -4.237 184 1HB LEU 25 2HB LEU 25 2.560 4.926 -3.386 185 2HB LEU 25 1HB LEU 25 3.852 4.349 -2.352 186 HG LEU 25 HG LEU 25 3.821 4.308 -5.369 187 1HD1 LEU 25 1HD1 LEU 25 4.201 6.511 -4.301 188 2HD1 LEU 25 2HD1 LEU 25 5.591 5.926 -5.216 189 3HD1 LEU 25 3HD1 LEU 25 5.587 5.823 -3.455 190 1HD2 LEU 25 1HD2 LEU 25 4.980 2.359 -4.710 191 2HD2 LEU 25 2HD2 LEU 25 5.781 3.195 -3.380 192 3HD2 LEU 25 3HD2 LEU 25 6.219 3.569 -5.046 193 H ALA 26 H ALA 26 3.293 2.975 -0.803 194 HA ALA 26 HA ALA 26 5.480 1.246 -0.663 195 1HB ALA 26 1HB ALA 26 5.285 2.796 1.082 196 2HB ALA 26 2HB ALA 26 4.938 1.239 1.836 197 3HB ALA 26 3HB ALA 26 3.618 2.333 1.421 198 H HIS 27 H HIS 27 2.117 0.626 -0.780 199 HA HIS 27 HA HIS 27 2.104 -1.905 0.519 200 1HB HIS 27 2HB HIS 27 0.051 -0.612 0.261 201 2HB HIS 27 1HB HIS 27 0.187 -0.703 -1.490 202 HD1 HIS 27 1HD HIS 27 -1.014 -2.609 1.459 203 HD2 HIS 27 2HD HIS 27 -0.381 -3.245 -2.597 204 HE1 HIS 27 1HE HIS 27 -2.234 -4.746 0.878 205 H LYS 28 H LYS 28 1.774 -1.085 -2.943 206 HA LYS 28 HA LYS 28 2.168 -3.726 -3.840 207 1HB LYS 28 2HB LYS 28 1.847 -1.095 -5.027 208 2HB LYS 28 1HB LYS 28 3.012 -2.063 -5.918 209 1HG LYS 28 2HG LYS 28 0.813 -2.350 -6.855 210 2HG LYS 28 1HG LYS 28 1.347 -3.860 -6.112 211 1HD LYS 28 2HD LYS 28 -0.252 -3.790 -4.515 212 2HD LYS 28 1HD LYS 28 -0.171 -2.034 -4.363 213 1HE LYS 28 2HE LYS 28 -2.321 -2.615 -5.245 214 2HE LYS 28 1HE LYS 28 -1.382 -1.853 -6.528 215 1HZ LYS 28 1HZ LYS 28 -1.145 -3.826 -7.650 216 2HZ LYS 28 2HZ LYS 28 -2.695 -4.017 -7.002 217 3HZ LYS 28 3HZ LYS 28 -1.374 -4.782 -6.274 218 H GLN 29 H GLN 29 4.369 -1.382 -2.685 219 HA GLN 29 HA GLN 29 6.686 -2.089 -4.110 220 1HB GLN 29 2HB GLN 29 6.108 -0.687 -1.549 221 2HB GLN 29 1HB GLN 29 7.751 -1.257 -1.812 222 1HG GLN 29 2HG GLN 29 6.203 0.620 -3.582 223 2HG GLN 29 1HG GLN 29 7.537 1.041 -2.510 224 1HE2 GLN 29 1HE2 GLN 29 6.617 -0.349 -5.530 225 2HE2 GLN 29 2HE2 GLN 29 8.207 -0.508 -6.187 226 H PHE 30 H PHE 30 5.925 -2.934 -0.722 227 HA PHE 30 HA PHE 30 6.851 -5.650 -1.183 228 1HB PHE 30 2HB PHE 30 8.240 -5.243 1.052 229 2HB PHE 30 1HB PHE 30 8.938 -5.011 -0.546 230 HD1 PHE 30 1HD PHE 30 6.632 -2.853 1.421 231 HD2 PHE 30 2HD PHE 30 10.483 -3.304 -0.334 232 HE1 PHE 30 1HE PHE 30 7.167 -0.523 2.004 233 HE2 PHE 30 2HE PHE 30 11.025 -0.975 0.247 234 HZ PHE 30 HZ PHE 30 9.365 0.419 1.416 235 H TYR 31 H TYR 31 4.399 -4.071 -0.225 236 HA TYR 31 HA TYR 31 4.036 -5.450 2.350 237 1HB TYR 31 2HB TYR 31 3.560 -2.796 1.676 238 2HB TYR 31 1HB TYR 31 1.959 -3.526 1.669 239 HD1 TYR 31 1HD TYR 31 5.042 -3.605 3.793 240 HD2 TYR 31 2HD TYR 31 0.793 -3.431 3.650 241 HE1 TYR 31 1HE TYR 31 4.971 -3.454 6.245 242 HE2 TYR 31 2HE TYR 31 0.711 -3.279 6.103 243 HH TYR 31 HH TYR 31 3.375 -3.937 8.076 244 H CYS 32 H CYS 32 2.876 -5.174 -0.899 245 HA CYS 32 HA CYS 32 0.351 -6.408 -0.535 246 1HB CYS 32 2HB CYS 32 1.091 -5.041 -2.530 247 2HB CYS 32 1HB CYS 32 2.020 -6.442 -3.050 248 H LYS 33 H LYS 33 -0.297 -8.538 -1.103 249 HA LYS 33 HA LYS 33 1.780 -10.526 -0.550 250 1HB LYS 33 2HB LYS 33 -0.054 -12.048 -0.035 251 2HB LYS 33 1HB LYS 33 -0.220 -10.554 0.876 252 1HG LYS 33 2HG LYS 33 -2.347 -10.664 0.181 253 2HG LYS 33 1HG LYS 33 -1.697 -9.957 -1.299 254 1HD LYS 33 2HD LYS 33 -1.934 -11.878 -2.478 255 2HD LYS 33 1HD LYS 33 -1.566 -12.901 -1.088 256 1HE LYS 33 2HE LYS 33 -3.925 -13.054 -1.951 257 2HE LYS 33 1HE LYS 33 -3.765 -12.686 -0.233 258 1HZ LYS 33 1HZ LYS 33 -4.583 -10.610 -0.507 259 2HZ LYS 33 2HZ LYS 33 -5.347 -11.322 -1.838 260 3HZ LYS 33 3HZ LYS 33 -3.934 -10.418 -2.059 261 H ASN 34 H ASN 34 1.514 -9.252 -3.163 262 HA ASN 34 HA ASN 34 0.398 -11.299 -4.890 263 1HB ASN 34 2HB ASN 34 0.306 -8.754 -5.296 264 2HB ASN 34 1HB ASN 34 1.983 -8.912 -5.812 265 1HD2 ASN 34 1HD2 ASN 34 2.426 -10.404 -7.567 266 2HD2 ASN 34 2HD2 ASN 34 1.233 -10.635 -8.795 267 H LYS 35 H LYS 35 2.211 -12.614 -3.559 268 HA LYS 35 HA LYS 35 4.880 -12.484 -4.397 269 1HB LYS 35 2HB LYS 35 3.465 -15.032 -3.628 270 2HB LYS 35 1HB LYS 35 5.160 -14.625 -3.404 271 1HG LYS 35 2HG LYS 35 4.361 -12.788 -1.845 272 2HG LYS 35 1HG LYS 35 2.782 -13.576 -1.907 273 1HD LYS 35 2HD LYS 35 5.061 -15.356 -1.357 274 2HD LYS 35 1HD LYS 35 4.709 -14.167 -0.101 275 1HE LYS 35 2HE LYS 35 3.280 -15.770 0.606 276 2HE LYS 35 1HE LYS 35 2.223 -15.036 -0.599 277 1HZ LYS 35 1HZ LYS 35 4.008 -17.119 -1.559 278 2HZ LYS 35 2HZ LYS 35 2.395 -16.806 -1.960 279 3HZ LYS 35 3HZ LYS 35 2.766 -17.627 -0.528 280 HA PRO 36 HA PRO 36 4.872 -14.156 -8.475 281 1HB PRO 36 2HB PRO 36 7.233 -15.497 -8.532 282 2HB PRO 36 1HB PRO 36 7.130 -13.732 -8.548 283 1HG PRO 36 2HG PRO 36 7.681 -15.575 -6.254 284 2HG PRO 36 1HG PRO 36 8.473 -14.045 -6.675 285 1HD PRO 36 2HD PRO 36 6.580 -14.222 -4.749 286 2HD PRO 36 1HD PRO 36 6.786 -12.773 -5.753 Start of MODEL 2 1 1H GLY 1 1HT GLY 1 -10.449 -6.169 -16.195 2 2H GLY 1 2HT GLY 1 -10.756 -7.260 -17.450 3 3H GLY 1 3HT GLY 1 -9.986 -7.790 -16.040 4 1HA GLY 1 1HA GLY 1 -12.481 -8.291 -16.358 5 2HA GLY 1 2HA GLY 1 -11.890 -7.770 -14.787 6 H SER 2 H SER 2 -12.123 -5.499 -14.228 7 HA SER 2 HA SER 2 -13.935 -3.903 -15.826 8 1HB SER 2 2HB SER 2 -15.184 -5.577 -14.149 9 2HB SER 2 1HB SER 2 -14.849 -4.267 -13.017 10 HG SER 2 HG SER 2 -16.495 -3.303 -13.873 11 H ALA 3 H ALA 3 -14.630 -1.947 -14.139 12 HA ALA 3 HA ALA 3 -13.888 -0.046 -13.133 13 1HB ALA 3 1HB ALA 3 -13.265 -1.885 -11.406 14 2HB ALA 3 2HB ALA 3 -12.603 -0.261 -11.224 15 3HB ALA 3 3HB ALA 3 -11.609 -1.546 -11.910 16 H ALA 4 H ALA 4 -13.241 1.073 -14.949 17 HA ALA 4 HA ALA 4 -10.882 0.668 -16.394 18 1HB ALA 4 1HB ALA 4 -11.244 3.166 -16.998 19 2HB ALA 4 2HB ALA 4 -12.739 2.990 -16.080 20 3HB ALA 4 3HB ALA 4 -12.446 1.972 -17.490 21 H GLU 5 H GLU 5 -11.424 3.573 -14.422 22 HA GLU 5 HA GLU 5 -8.886 4.428 -14.155 23 1HB GLU 5 2HB GLU 5 -11.219 5.251 -13.141 24 2HB GLU 5 1HB GLU 5 -10.511 4.575 -11.680 25 1HG GLU 5 2HG GLU 5 -8.815 6.126 -11.621 26 2HG GLU 5 1HG GLU 5 -8.914 6.456 -13.350 27 H VAL 6 H VAL 6 -7.175 3.150 -13.747 28 HA VAL 6 HA VAL 6 -7.317 1.242 -11.526 29 HB VAL 6 HB VAL 6 -5.096 1.517 -13.549 30 1HG1 VAL 6 1HG1 VAL 6 -5.863 -0.624 -11.575 31 2HG1 VAL 6 2HG1 VAL 6 -4.377 0.323 -11.623 32 3HG1 VAL 6 3HG1 VAL 6 -4.701 -0.872 -12.878 33 1HG2 VAL 6 1HG2 VAL 6 -6.232 -0.584 -14.520 34 2HG2 VAL 6 2HG2 VAL 6 -6.915 0.996 -14.905 35 3HG2 VAL 6 3HG2 VAL 6 -7.669 -0.014 -13.672 36 H MET 7 H MET 7 -5.473 1.070 -10.065 37 HA MET 7 HA MET 7 -4.025 1.929 -8.537 38 1HB MET 7 2HB MET 7 -3.302 4.023 -10.581 39 2HB MET 7 1HB MET 7 -2.299 3.381 -9.287 40 1HG MET 7 2HG MET 7 -3.197 1.928 -11.763 41 2HG MET 7 1HG MET 7 -1.570 2.499 -11.399 42 1HE MET 7 1HE MET 7 0.148 -0.189 -10.014 43 2HE MET 7 2HE MET 7 -0.239 1.006 -8.776 44 3HE MET 7 3HE MET 7 0.037 1.518 -10.442 45 H LYS 8 H LYS 8 -6.145 2.577 -7.541 46 HA LYS 8 HA LYS 8 -6.093 5.467 -7.044 47 1HB LYS 8 2HB LYS 8 -8.406 3.810 -7.935 48 2HB LYS 8 1HB LYS 8 -8.711 5.090 -6.769 49 1HG LYS 8 2HG LYS 8 -7.343 6.532 -8.490 50 2HG LYS 8 1HG LYS 8 -7.864 5.272 -9.609 51 1HD LYS 8 2HD LYS 8 -9.521 6.942 -9.734 52 2HD LYS 8 1HD LYS 8 -10.214 5.671 -8.726 53 1HE LYS 8 2HE LYS 8 -9.516 6.947 -6.720 54 2HE LYS 8 1HE LYS 8 -8.955 8.241 -7.778 55 1HZ LYS 8 1HZ LYS 8 -11.699 7.348 -8.163 56 2HZ LYS 8 2HZ LYS 8 -11.050 8.909 -8.221 57 3HZ LYS 8 3HZ LYS 8 -11.381 8.187 -6.728 58 H LYS 9 H LYS 9 -4.820 3.689 -5.462 59 HA LYS 9 HA LYS 9 -4.603 2.945 -3.322 60 1HB LYS 9 2HB LYS 9 -6.853 4.809 -2.598 61 2HB LYS 9 1HB LYS 9 -5.479 4.326 -1.614 62 1HG LYS 9 2HG LYS 9 -4.607 6.290 -2.206 63 2HG LYS 9 1HG LYS 9 -4.254 5.505 -3.747 64 1HD LYS 9 2HD LYS 9 -5.423 7.218 -4.621 65 2HD LYS 9 1HD LYS 9 -6.830 6.272 -4.129 66 1HE LYS 9 2HE LYS 9 -5.665 8.004 -2.050 67 2HE LYS 9 1HE LYS 9 -6.403 8.844 -3.414 68 1HZ LYS 9 1HZ LYS 9 -7.797 8.104 -1.327 69 2HZ LYS 9 2HZ LYS 9 -7.908 6.654 -2.193 70 3HZ LYS 9 3HZ LYS 9 -8.464 8.096 -2.882 71 H TYR 10 H TYR 10 -5.802 1.053 -4.550 72 HA TYR 10 HA TYR 10 -7.577 -0.100 -2.634 73 1HB TYR 10 2HB TYR 10 -9.209 1.273 -3.826 74 2HB TYR 10 1HB TYR 10 -8.690 0.587 -5.362 75 HD1 TYR 10 1HD TYR 10 -10.272 -0.830 -6.249 76 HD2 TYR 10 2HD TYR 10 -9.655 -0.845 -2.039 77 HE1 TYR 10 1HE TYR 10 -11.943 -2.617 -6.016 78 HE2 TYR 10 2HE TYR 10 -11.324 -2.633 -1.795 79 HH TYR 10 HH TYR 10 -13.495 -3.458 -4.162 80 H CYS 11 H CYS 11 -6.377 -1.917 -2.512 81 HA CYS 11 HA CYS 11 -5.401 -3.223 -4.905 82 1HB CYS 11 2HB CYS 11 -4.170 -3.048 -2.644 83 2HB CYS 11 1HB CYS 11 -5.238 -4.344 -2.117 84 H SER 12 H SER 12 -7.007 -4.155 -6.051 85 HA SER 12 HA SER 12 -9.322 -5.334 -5.020 86 1HB SER 12 2HB SER 12 -8.253 -6.470 -7.538 87 2HB SER 12 1HB SER 12 -9.844 -5.794 -7.189 88 HG SER 12 HG SER 12 -8.679 -3.701 -7.147 89 H THR 13 H THR 13 -6.158 -6.715 -5.744 90 HA THR 13 HA THR 13 -6.828 -9.422 -5.425 91 HB THR 13 HB THR 13 -4.177 -8.115 -4.790 92 HG1 THR 13 1HG THR 13 -3.822 -7.999 -6.866 93 1HG2 THR 13 1HG2 THR 13 -4.937 -10.789 -4.590 94 2HG2 THR 13 2HG2 THR 13 -3.301 -10.131 -4.582 95 3HG2 THR 13 3HG2 THR 13 -4.031 -10.663 -6.097 96 H CYS 14 H CYS 14 -5.470 -7.106 -3.084 97 HA CYS 14 HA CYS 14 -5.635 -8.955 -0.908 98 1HB CYS 14 2HB CYS 14 -5.044 -6.008 -1.108 99 2HB CYS 14 1HB CYS 14 -5.135 -6.840 0.436 100 H ASP 15 H ASP 15 -7.741 -6.603 -2.332 101 HA ASP 15 HA ASP 15 -9.953 -6.170 -1.979 102 1HB ASP 15 2HB ASP 15 -9.806 -8.679 -1.071 103 2HB ASP 15 1HB ASP 15 -10.137 -7.871 0.459 104 H ILE 16 H ILE 16 -8.001 -4.500 -0.958 105 HA ILE 16 HA ILE 16 -9.405 -3.383 1.363 106 HB ILE 16 HB ILE 16 -6.406 -3.295 1.257 107 1HG1 ILE 16 2HG1 ILE 16 -7.089 -5.679 1.256 108 2HG1 ILE 16 1HG1 ILE 16 -6.296 -5.209 2.756 109 1HG2 ILE 16 1HG2 ILE 16 -7.080 -1.757 2.805 110 2HG2 ILE 16 2HG2 ILE 16 -6.965 -3.191 3.827 111 3HG2 ILE 16 3HG2 ILE 16 -8.537 -2.657 3.229 112 1HD1 ILE 16 1HD1 ILE 16 -9.157 -4.871 2.921 113 2HD1 ILE 16 2HD1 ILE 16 -8.064 -5.789 3.957 114 3HD1 ILE 16 3HD1 ILE 16 -8.715 -6.523 2.492 115 H SER 17 H SER 17 -8.828 -1.082 1.740 116 HA SER 17 HA SER 17 -7.958 0.271 -0.723 117 1HB SER 17 2HB SER 17 -10.380 0.410 -0.666 118 2HB SER 17 1HB SER 17 -10.341 0.990 0.999 119 HG SER 17 HG SER 17 -10.413 2.493 -1.050 120 H PHE 18 H PHE 18 -7.294 2.535 -0.368 121 HA PHE 18 HA PHE 18 -6.383 3.075 2.370 122 1HB PHE 18 2HB PHE 18 -4.624 3.404 -0.065 123 2HB PHE 18 1HB PHE 18 -4.171 3.683 1.613 124 HD1 PHE 18 1HD PHE 18 -4.918 1.450 3.103 125 HD2 PHE 18 2HD PHE 18 -3.621 1.551 -0.948 126 HE1 PHE 18 1HE PHE 18 -4.166 -0.885 3.290 127 HE2 PHE 18 2HE PHE 18 -2.866 -0.784 -0.769 128 HZ PHE 18 HZ PHE 18 -3.137 -2.004 1.352 129 H ASN 19 H ASN 19 -6.522 5.162 2.991 130 HA ASN 19 HA ASN 19 -7.962 6.980 1.312 131 1HB ASN 19 2HB ASN 19 -8.312 6.880 3.757 132 2HB ASN 19 1HB ASN 19 -6.668 7.459 4.005 133 1HD2 ASN 19 1HD2 ASN 19 -6.666 9.491 4.603 134 2HD2 ASN 19 2HD2 ASN 19 -7.692 10.738 3.991 135 H TYR 20 H TYR 20 -4.629 6.445 2.105 136 HA TYR 20 HA TYR 20 -3.883 8.923 0.701 137 1HB TYR 20 2HB TYR 20 -2.253 7.252 2.626 138 2HB TYR 20 1HB TYR 20 -1.701 8.721 1.829 139 HD1 TYR 20 1HD TYR 20 -3.088 10.868 2.279 140 HD2 TYR 20 2HD TYR 20 -3.275 7.383 4.711 141 HE1 TYR 20 1HE TYR 20 -3.988 12.215 4.129 142 HE2 TYR 20 2HE TYR 20 -4.177 8.719 6.568 143 HH TYR 20 HH TYR 20 -4.191 11.063 7.312 144 H VAL 21 H VAL 21 -2.846 8.796 -1.189 145 HA VAL 21 HA VAL 21 -2.644 6.399 -2.615 146 HB VAL 21 HB VAL 21 -1.055 8.912 -3.151 147 1HG1 VAL 21 1HG1 VAL 21 -2.093 7.260 -5.356 148 2HG1 VAL 21 2HG1 VAL 21 -0.820 6.521 -4.383 149 3HG1 VAL 21 3HG1 VAL 21 -0.537 8.070 -5.176 150 1HG2 VAL 21 1HG2 VAL 21 -2.887 9.965 -3.892 151 2HG2 VAL 21 2HG2 VAL 21 -3.785 8.780 -2.943 152 3HG2 VAL 21 3HG2 VAL 21 -3.521 8.512 -4.666 153 H LYS 22 H LYS 22 -0.304 8.112 -0.630 154 HA LYS 22 HA LYS 22 2.036 6.815 -1.384 155 1HB LYS 22 2HB LYS 22 1.092 8.240 1.032 156 2HB LYS 22 1HB LYS 22 2.465 7.168 1.265 157 1HG LYS 22 2HG LYS 22 3.330 9.323 0.819 158 2HG LYS 22 1HG LYS 22 3.594 8.353 -0.632 159 1HD LYS 22 2HD LYS 22 1.740 9.384 -1.740 160 2HD LYS 22 1HD LYS 22 1.246 10.204 -0.258 161 1HE LYS 22 2HE LYS 22 2.483 11.608 -1.967 162 2HE LYS 22 1HE LYS 22 3.104 11.651 -0.317 163 1HZ LYS 22 1HZ LYS 22 4.200 9.967 -2.504 164 2HZ LYS 22 2HZ LYS 22 4.820 10.095 -0.936 165 3HZ LYS 22 3HZ LYS 22 4.870 11.428 -1.975 166 H THR 23 H THR 23 -0.605 5.726 0.614 167 HA THR 23 HA THR 23 0.677 3.526 1.834 168 HB THR 23 HB THR 23 -2.244 3.879 1.145 169 HG1 THR 23 1HG THR 23 -1.229 5.532 2.494 170 1HG2 THR 23 1HG2 THR 23 -1.912 1.612 1.765 171 2HG2 THR 23 2HG2 THR 23 -2.608 2.449 3.152 172 3HG2 THR 23 3HG2 THR 23 -0.886 2.072 3.123 173 H TYR 24 H TYR 24 -1.364 3.762 -1.070 174 HA TYR 24 HA TYR 24 -1.252 1.051 -1.783 175 1HB TYR 24 2HB TYR 24 -2.720 2.999 -2.715 176 2HB TYR 24 1HB TYR 24 -1.391 3.226 -3.847 177 HD1 TYR 24 1HD TYR 24 -3.245 0.277 -2.469 178 HD2 TYR 24 2HD TYR 24 -1.803 2.313 -5.915 179 HE1 TYR 24 1HE TYR 24 -4.165 -1.500 -3.897 180 HE2 TYR 24 2HE TYR 24 -2.721 0.542 -7.353 181 HH TYR 24 HH TYR 24 -3.394 -1.771 -7.223 182 H LEU 25 H LEU 25 0.942 3.710 -2.343 183 HA LEU 25 HA LEU 25 2.544 2.457 -4.312 184 1HB LEU 25 2HB LEU 25 2.834 4.788 -2.493 185 2HB LEU 25 1HB LEU 25 4.300 4.127 -3.190 186 HG LEU 25 HG LEU 25 1.929 5.216 -4.706 187 1HD1 LEU 25 1HD1 LEU 25 4.665 6.285 -5.024 188 2HD1 LEU 25 2HD1 LEU 25 3.836 6.656 -3.512 189 3HD1 LEU 25 3HD1 LEU 25 3.108 7.115 -5.051 190 1HD2 LEU 25 1HD2 LEU 25 3.527 4.896 -6.672 191 2HD2 LEU 25 2HD2 LEU 25 2.719 3.462 -6.040 192 3HD2 LEU 25 3HD2 LEU 25 4.402 3.783 -5.620 193 H ALA 26 H ALA 26 3.228 3.015 -0.874 194 HA ALA 26 HA ALA 26 5.432 1.302 -0.745 195 1HB ALA 26 1HB ALA 26 5.469 1.712 1.529 196 2HB ALA 26 2HB ALA 26 3.711 1.789 1.645 197 3HB ALA 26 3HB ALA 26 4.607 3.122 0.916 198 H HIS 27 H HIS 27 2.079 0.654 -0.839 199 HA HIS 27 HA HIS 27 2.111 -1.858 0.512 200 1HB HIS 27 2HB HIS 27 0.042 -0.581 0.299 201 2HB HIS 27 1HB HIS 27 0.129 -0.692 -1.455 202 HD1 HIS 27 1HD HIS 27 -1.000 -2.554 1.545 203 HD2 HIS 27 2HD HIS 27 -0.427 -3.267 -2.507 204 HE1 HIS 27 1HE HIS 27 -2.214 -4.711 1.026 205 H LYS 28 H LYS 28 1.789 -1.027 -2.947 206 HA LYS 28 HA LYS 28 2.156 -3.702 -3.817 207 1HB LYS 28 2HB LYS 28 2.244 -1.035 -5.205 208 2HB LYS 28 1HB LYS 28 2.627 -2.522 -6.065 209 1HG LYS 28 2HG LYS 28 0.293 -3.234 -4.952 210 2HG LYS 28 1HG LYS 28 0.036 -1.495 -5.108 211 1HD LYS 28 2HD LYS 28 -0.057 -1.583 -7.361 212 2HD LYS 28 1HD LYS 28 1.202 -2.815 -7.467 213 1HE LYS 28 2HE LYS 28 -1.712 -3.218 -6.815 214 2HE LYS 28 1HE LYS 28 -0.849 -3.770 -8.249 215 1HZ LYS 28 1HZ LYS 28 -0.787 -5.668 -7.048 216 2HZ LYS 28 2HZ LYS 28 -0.874 -4.880 -5.554 217 3HZ LYS 28 3HZ LYS 28 0.596 -4.950 -6.387 218 H GLN 29 H GLN 29 4.336 -1.371 -2.674 219 HA GLN 29 HA GLN 29 6.621 -2.037 -4.209 220 1HB GLN 29 2HB GLN 29 6.228 -0.705 -1.539 221 2HB GLN 29 1HB GLN 29 7.836 -1.035 -2.170 222 1HG GLN 29 2HG GLN 29 6.015 0.328 -4.028 223 2HG GLN 29 1HG GLN 29 6.464 1.248 -2.592 224 1HE2 GLN 29 1HE2 GLN 29 8.007 2.617 -3.119 225 2HE2 GLN 29 2HE2 GLN 29 9.403 2.260 -4.071 226 H PHE 30 H PHE 30 5.939 -2.815 -0.785 227 HA PHE 30 HA PHE 30 6.953 -5.509 -1.199 228 1HB PHE 30 2HB PHE 30 8.330 -5.017 1.024 229 2HB PHE 30 1HB PHE 30 9.018 -4.789 -0.578 230 HD1 PHE 30 1HD PHE 30 7.381 -3.023 2.234 231 HD2 PHE 30 2HD PHE 30 9.768 -2.681 -1.273 232 HE1 PHE 30 1HE PHE 30 7.842 -0.668 2.781 233 HE2 PHE 30 2HE PHE 30 10.234 -0.328 -0.732 234 HZ PHE 30 HZ PHE 30 9.269 0.683 1.297 235 H TYR 31 H TYR 31 4.459 -3.966 -0.244 236 HA TYR 31 HA TYR 31 4.140 -5.345 2.335 237 1HB TYR 31 2HB TYR 31 3.598 -2.699 1.641 238 2HB TYR 31 1HB TYR 31 2.017 -3.470 1.694 239 HD1 TYR 31 1HD TYR 31 4.555 -1.926 3.606 240 HD2 TYR 31 2HD TYR 31 1.524 -4.903 3.821 241 HE1 TYR 31 1HE TYR 31 4.559 -1.744 6.058 242 HE2 TYR 31 2HE TYR 31 1.518 -4.729 6.274 243 HH TYR 31 HH TYR 31 3.907 -3.354 8.025 244 H CYS 32 H CYS 32 3.132 -5.323 -0.925 245 HA CYS 32 HA CYS 32 0.623 -6.687 -0.413 246 1HB CYS 32 2HB CYS 32 0.944 -5.013 -2.276 247 2HB CYS 32 1HB CYS 32 1.964 -6.204 -3.075 248 H LYS 33 H LYS 33 0.425 -8.816 -0.248 249 HA LYS 33 HA LYS 33 2.698 -10.505 -0.994 250 1HB LYS 33 2HB LYS 33 1.689 -12.205 0.429 251 2HB LYS 33 1HB LYS 33 1.852 -10.690 1.309 252 1HG LYS 33 2HG LYS 33 -0.535 -10.221 0.855 253 2HG LYS 33 1HG LYS 33 -0.666 -11.810 0.096 254 1HD LYS 33 2HD LYS 33 0.019 -12.858 2.211 255 2HD LYS 33 1HD LYS 33 0.110 -11.264 2.962 256 1HE LYS 33 2HE LYS 33 -2.318 -12.718 1.951 257 2HE LYS 33 1HE LYS 33 -1.982 -12.158 3.588 258 1HZ LYS 33 1HZ LYS 33 -2.987 -10.682 1.291 259 2HZ LYS 33 2HZ LYS 33 -1.895 -9.857 2.285 260 3HZ LYS 33 3HZ LYS 33 -3.324 -10.484 2.938 261 H ASN 34 H ASN 34 1.005 -9.461 -3.047 262 HA ASN 34 HA ASN 34 -0.798 -11.554 -3.865 263 1HB ASN 34 2HB ASN 34 -1.241 -9.184 -4.407 264 2HB ASN 34 1HB ASN 34 0.209 -9.151 -5.406 265 1HD2 ASN 34 1HD2 ASN 34 -1.280 -8.487 -7.084 266 2HD2 ASN 34 2HD2 ASN 34 -2.152 -9.691 -7.964 267 H LYS 35 H LYS 35 1.206 -13.056 -3.584 268 HA LYS 35 HA LYS 35 2.745 -13.177 -6.080 269 1HB LYS 35 2HB LYS 35 3.184 -14.328 -3.339 270 2HB LYS 35 1HB LYS 35 4.042 -14.964 -4.735 271 1HG LYS 35 2HG LYS 35 4.122 -12.037 -4.387 272 2HG LYS 35 1HG LYS 35 4.983 -12.995 -3.181 273 1HD LYS 35 2HD LYS 35 5.343 -13.493 -6.119 274 2HD LYS 35 1HD LYS 35 6.266 -12.244 -5.279 275 1HE LYS 35 2HE LYS 35 6.708 -14.244 -3.593 276 2HE LYS 35 1HE LYS 35 6.406 -15.201 -5.042 277 1HZ LYS 35 1HZ LYS 35 8.156 -14.029 -6.176 278 2HZ LYS 35 2HZ LYS 35 8.763 -14.665 -4.731 279 3HZ LYS 35 3HZ LYS 35 8.407 -13.016 -4.844 280 HA PRO 36 HA PRO 36 0.531 -16.699 -7.533 281 1HB PRO 36 2HB PRO 36 2.473 -18.094 -8.815 282 2HB PRO 36 1HB PRO 36 1.801 -16.586 -9.446 283 1HG PRO 36 2HG PRO 36 4.345 -17.040 -7.934 284 2HG PRO 36 1HG PRO 36 4.057 -16.023 -9.358 285 1HD PRO 36 2HD PRO 36 4.203 -15.010 -6.851 286 2HD PRO 36 1HD PRO 36 3.165 -14.304 -8.106 Start of MODEL 3 1 1H GLY 1 1HT GLY 1 -14.589 10.738 -17.021 2 2H GLY 1 2HT GLY 1 -13.959 10.003 -15.633 3 3H GLY 1 3HT GLY 1 -14.888 9.100 -16.721 4 1HA GLY 1 1HA GLY 1 -12.908 8.423 -17.496 5 2HA GLY 1 2HA GLY 1 -12.997 9.943 -18.374 6 H SER 2 H SER 2 -11.240 11.156 -18.245 7 HA SER 2 HA SER 2 -9.255 10.608 -16.206 8 1HB SER 2 2HB SER 2 -8.409 10.894 -18.434 9 2HB SER 2 1HB SER 2 -9.260 12.428 -18.621 10 HG SER 2 HG SER 2 -7.087 11.865 -16.886 11 H ALA 3 H ALA 3 -8.717 11.897 -14.527 12 HA ALA 3 HA ALA 3 -8.884 13.527 -12.948 13 1HB ALA 3 1HB ALA 3 -8.052 14.944 -14.775 14 2HB ALA 3 2HB ALA 3 -9.137 15.822 -13.696 15 3HB ALA 3 3HB ALA 3 -9.715 15.268 -15.267 16 H ALA 4 H ALA 4 -11.151 11.824 -13.427 17 HA ALA 4 HA ALA 4 -13.273 13.593 -12.412 18 1HB ALA 4 1HB ALA 4 -13.441 12.595 -14.876 19 2HB ALA 4 2HB ALA 4 -14.852 12.813 -13.843 20 3HB ALA 4 3HB ALA 4 -14.100 11.224 -13.984 21 H GLU 5 H GLU 5 -12.674 12.954 -10.295 22 HA GLU 5 HA GLU 5 -12.831 11.716 -8.394 23 1HB GLU 5 2HB GLU 5 -15.202 11.538 -9.223 24 2HB GLU 5 1HB GLU 5 -14.770 9.993 -9.943 25 1HG GLU 5 2HG GLU 5 -14.059 10.219 -7.121 26 2HG GLU 5 1HG GLU 5 -15.787 10.349 -7.440 27 H VAL 6 H VAL 6 -10.573 11.118 -9.111 28 HA VAL 6 HA VAL 6 -10.104 8.530 -10.213 29 HB VAL 6 HB VAL 6 -8.435 10.282 -10.435 30 1HG1 VAL 6 1HG1 VAL 6 -7.480 10.110 -7.662 31 2HG1 VAL 6 2HG1 VAL 6 -9.012 10.957 -7.879 32 3HG1 VAL 6 3HG1 VAL 6 -7.575 11.496 -8.749 33 1HG2 VAL 6 1HG2 VAL 6 -6.491 8.996 -9.994 34 2HG2 VAL 6 2HG2 VAL 6 -7.784 7.850 -10.351 35 3HG2 VAL 6 3HG2 VAL 6 -7.283 8.125 -8.682 36 H MET 7 H MET 7 -9.001 6.780 -9.112 37 HA MET 7 HA MET 7 -9.218 6.652 -6.226 38 1HB MET 7 2HB MET 7 -10.953 5.042 -8.074 39 2HB MET 7 1HB MET 7 -10.478 4.392 -6.511 40 1HG MET 7 2HG MET 7 -11.385 6.627 -5.579 41 2HG MET 7 1HG MET 7 -12.214 6.740 -7.130 42 1HE MET 7 1HE MET 7 -13.823 5.607 -7.962 43 2HE MET 7 2HE MET 7 -15.171 5.424 -6.840 44 3HE MET 7 3HE MET 7 -14.392 3.997 -7.522 45 H LYS 8 H LYS 8 -6.886 6.656 -7.039 46 HA LYS 8 HA LYS 8 -5.979 4.005 -7.867 47 1HB LYS 8 2HB LYS 8 -3.795 5.049 -8.188 48 2HB LYS 8 1HB LYS 8 -5.043 5.956 -9.032 49 1HG LYS 8 2HG LYS 8 -5.012 7.270 -6.683 50 2HG LYS 8 1HG LYS 8 -3.332 6.739 -6.771 51 1HD LYS 8 2HD LYS 8 -4.805 8.261 -8.921 52 2HD LYS 8 1HD LYS 8 -3.657 8.959 -7.777 53 1HE LYS 8 2HE LYS 8 -1.862 8.116 -8.861 54 2HE LYS 8 1HE LYS 8 -2.696 6.625 -9.300 55 1HZ LYS 8 1HZ LYS 8 -2.248 7.868 -11.272 56 2HZ LYS 8 2HZ LYS 8 -2.951 9.267 -10.631 57 3HZ LYS 8 3HZ LYS 8 -3.916 7.926 -10.994 58 H LYS 9 H LYS 9 -7.052 3.862 -5.417 59 HA LYS 9 HA LYS 9 -4.749 3.184 -3.784 60 1HB LYS 9 2HB LYS 9 -5.663 4.340 -1.789 61 2HB LYS 9 1HB LYS 9 -5.162 5.451 -3.056 62 1HG LYS 9 2HG LYS 9 -7.995 4.611 -3.066 63 2HG LYS 9 1HG LYS 9 -7.476 5.676 -1.758 64 1HD LYS 9 2HD LYS 9 -6.634 7.285 -3.372 65 2HD LYS 9 1HD LYS 9 -7.069 6.207 -4.701 66 1HE LYS 9 2HE LYS 9 -9.391 6.451 -4.244 67 2HE LYS 9 1HE LYS 9 -9.067 7.276 -2.721 68 1HZ LYS 9 1HZ LYS 9 -8.236 8.377 -5.342 69 2HZ LYS 9 2HZ LYS 9 -8.302 9.176 -3.853 70 3HZ LYS 9 3HZ LYS 9 -9.733 8.730 -4.636 71 H TYR 10 H TYR 10 -5.900 1.188 -4.721 72 HA TYR 10 HA TYR 10 -7.314 -0.063 -2.581 73 1HB TYR 10 2HB TYR 10 -9.182 1.152 -3.630 74 2HB TYR 10 1HB TYR 10 -8.815 0.384 -5.171 75 HD1 TYR 10 1HD TYR 10 -8.858 -2.232 -5.171 76 HD2 TYR 10 2HD TYR 10 -10.750 0.184 -2.222 77 HE1 TYR 10 1HE TYR 10 -10.337 -4.109 -4.591 78 HE2 TYR 10 2HE TYR 10 -12.233 -1.686 -1.634 79 HH TYR 10 HH TYR 10 -12.587 -4.427 -3.549 80 H CYS 11 H CYS 11 -6.355 -1.980 -2.517 81 HA CYS 11 HA CYS 11 -5.218 -3.147 -4.913 82 1HB CYS 11 2HB CYS 11 -4.131 -3.125 -2.583 83 2HB CYS 11 1HB CYS 11 -5.258 -4.416 -2.181 84 H SER 12 H SER 12 -6.531 -4.221 -6.235 85 HA SER 12 HA SER 12 -9.009 -5.339 -5.484 86 1HB SER 12 2HB SER 12 -9.112 -6.221 -7.728 87 2HB SER 12 1HB SER 12 -8.387 -4.615 -7.802 88 HG SER 12 HG SER 12 -7.192 -7.130 -8.153 89 H THR 13 H THR 13 -5.776 -6.680 -5.750 90 HA THR 13 HA THR 13 -6.516 -9.408 -5.569 91 HB THR 13 HB THR 13 -3.916 -8.075 -4.785 92 HG1 THR 13 1HG THR 13 -3.373 -8.200 -6.835 93 1HG2 THR 13 1HG2 THR 13 -4.016 -10.850 -5.803 94 2HG2 THR 13 2HG2 THR 13 -4.479 -10.573 -4.123 95 3HG2 THR 13 3HG2 THR 13 -2.881 -10.084 -4.689 96 H CYS 14 H CYS 14 -5.282 -7.133 -3.119 97 HA CYS 14 HA CYS 14 -5.677 -8.975 -0.971 98 1HB CYS 14 2HB CYS 14 -5.028 -6.031 -1.069 99 2HB CYS 14 1HB CYS 14 -5.167 -6.937 0.429 100 H ASP 15 H ASP 15 -7.561 -6.494 -2.508 101 HA ASP 15 HA ASP 15 -9.771 -5.961 -2.323 102 1HB ASP 15 2HB ASP 15 -9.917 -8.480 -1.652 103 2HB ASP 15 1HB ASP 15 -10.123 -7.855 -0.019 104 H ILE 16 H ILE 16 -8.105 -4.236 -1.254 105 HA ILE 16 HA ILE 16 -9.569 -3.228 1.050 106 HB ILE 16 HB ILE 16 -6.573 -3.235 1.219 107 1HG1 ILE 16 2HG1 ILE 16 -8.426 -5.333 2.372 108 2HG1 ILE 16 1HG1 ILE 16 -7.280 -5.592 1.062 109 1HG2 ILE 16 1HG2 ILE 16 -7.480 -3.271 3.745 110 2HG2 ILE 16 2HG2 ILE 16 -8.850 -2.500 2.944 111 3HG2 ILE 16 3HG2 ILE 16 -7.241 -1.788 2.819 112 1HD1 ILE 16 1HD1 ILE 16 -6.608 -6.357 3.388 113 2HD1 ILE 16 2HD1 ILE 16 -6.398 -4.647 3.763 114 3HD1 ILE 16 3HD1 ILE 16 -5.439 -5.393 2.485 115 H SER 17 H SER 17 -8.957 -0.964 1.563 116 HA SER 17 HA SER 17 -7.815 0.444 -0.754 117 1HB SER 17 2HB SER 17 -10.487 0.438 -0.264 118 2HB SER 17 1HB SER 17 -9.989 1.840 0.683 119 HG SER 17 HG SER 17 -10.535 2.106 -1.670 120 H PHE 18 H PHE 18 -6.929 2.538 -0.289 121 HA PHE 18 HA PHE 18 -6.346 2.994 2.560 122 1HB PHE 18 2HB PHE 18 -4.329 3.444 0.362 123 2HB PHE 18 1HB PHE 18 -4.054 3.446 2.102 124 HD1 PHE 18 1HD PHE 18 -4.026 1.338 3.355 125 HD2 PHE 18 2HD PHE 18 -4.388 1.413 -0.884 126 HE1 PHE 18 1HE PHE 18 -3.423 -1.046 3.266 127 HE2 PHE 18 2HE PHE 18 -3.785 -0.971 -0.981 128 HZ PHE 18 HZ PHE 18 -3.302 -2.203 1.095 129 H ASN 19 H ASN 19 -6.778 4.990 3.233 130 HA ASN 19 HA ASN 19 -7.961 6.923 1.593 131 1HB ASN 19 2HB ASN 19 -8.277 6.800 4.044 132 2HB ASN 19 1HB ASN 19 -6.617 7.341 4.273 133 1HD2 ASN 19 1HD2 ASN 19 -9.757 8.253 2.986 134 2HD2 ASN 19 2HD2 ASN 19 -9.529 9.960 3.137 135 H TYR 20 H TYR 20 -4.628 6.377 2.479 136 HA TYR 20 HA TYR 20 -3.828 8.834 1.084 137 1HB TYR 20 2HB TYR 20 -2.035 7.043 2.717 138 2HB TYR 20 1HB TYR 20 -1.747 8.708 2.228 139 HD1 TYR 20 1HD TYR 20 -4.124 10.130 2.980 140 HD2 TYR 20 2HD TYR 20 -2.172 6.947 5.019 141 HE1 TYR 20 1HE TYR 20 -5.071 10.920 5.106 142 HE2 TYR 20 2HE TYR 20 -3.116 7.728 7.152 143 HH TYR 20 HH TYR 20 -4.358 10.696 7.637 144 H VAL 21 H VAL 21 -2.952 8.734 -0.878 145 HA VAL 21 HA VAL 21 -2.810 6.371 -2.365 146 HB VAL 21 HB VAL 21 -1.243 8.886 -2.944 147 1HG1 VAL 21 1HG1 VAL 21 -1.948 8.046 -5.335 148 2HG1 VAL 21 2HG1 VAL 21 -2.050 6.488 -4.514 149 3HG1 VAL 21 3HG1 VAL 21 -0.531 7.384 -4.522 150 1HG2 VAL 21 1HG2 VAL 21 -3.294 9.460 -4.339 151 2HG2 VAL 21 2HG2 VAL 21 -3.439 9.653 -2.592 152 3HG2 VAL 21 3HG2 VAL 21 -4.146 8.245 -3.386 153 H LYS 22 H LYS 22 -0.353 8.079 -0.509 154 HA LYS 22 HA LYS 22 1.931 6.784 -1.416 155 1HB LYS 22 2HB LYS 22 2.944 7.374 0.727 156 2HB LYS 22 1HB LYS 22 1.984 8.709 0.107 157 1HG LYS 22 2HG LYS 22 0.118 7.609 1.616 158 2HG LYS 22 1HG LYS 22 1.525 6.975 2.471 159 1HD LYS 22 2HD LYS 22 2.362 9.430 2.392 160 2HD LYS 22 1HD LYS 22 0.671 9.817 2.076 161 1HE LYS 22 2HE LYS 22 0.587 9.918 4.335 162 2HE LYS 22 1HE LYS 22 0.355 8.178 4.167 163 1HZ LYS 22 1HZ LYS 22 2.640 9.655 5.182 164 2HZ LYS 22 2HZ LYS 22 3.009 8.318 4.213 165 3HZ LYS 22 3HZ LYS 22 2.067 8.120 5.604 166 H THR 23 H THR 23 -0.584 5.687 0.726 167 HA THR 23 HA THR 23 0.751 3.485 1.875 168 HB THR 23 HB THR 23 -2.199 3.607 1.282 169 HG1 THR 23 1HG THR 23 -2.373 4.766 3.247 170 1HG2 THR 23 1HG2 THR 23 -1.566 1.544 2.296 171 2HG2 THR 23 2HG2 THR 23 -2.375 2.535 3.509 172 3HG2 THR 23 3HG2 THR 23 -0.619 2.381 3.525 173 H TYR 24 H TYR 24 -1.437 3.713 -0.921 174 HA TYR 24 HA TYR 24 -1.359 1.017 -1.664 175 1HB TYR 24 2HB TYR 24 -2.916 2.826 -2.536 176 2HB TYR 24 1HB TYR 24 -1.600 3.332 -3.587 177 HD1 TYR 24 1HD TYR 24 -3.577 0.290 -2.702 178 HD2 TYR 24 2HD TYR 24 -1.432 2.410 -5.703 179 HE1 TYR 24 1HE TYR 24 -4.265 -1.382 -4.367 180 HE2 TYR 24 2HE TYR 24 -2.114 0.744 -7.377 181 HH TYR 24 HH TYR 24 -4.321 -0.995 -7.450 182 H LEU 25 H LEU 25 0.759 3.704 -2.431 183 HA LEU 25 HA LEU 25 2.302 2.420 -4.407 184 1HB LEU 25 2HB LEU 25 2.642 4.791 -2.653 185 2HB LEU 25 1HB LEU 25 4.088 4.130 -3.394 186 HG LEU 25 HG LEU 25 3.060 5.998 -4.675 187 1HD1 LEU 25 1HD1 LEU 25 3.760 5.126 -6.634 188 2HD1 LEU 25 2HD1 LEU 25 2.760 3.682 -6.474 189 3HD1 LEU 25 3HD1 LEU 25 4.288 3.797 -5.601 190 1HD2 LEU 25 1HD2 LEU 25 0.933 5.997 -5.402 191 2HD2 LEU 25 2HD2 LEU 25 0.683 4.831 -4.104 192 3HD2 LEU 25 3HD2 LEU 25 0.945 4.269 -5.755 193 H ALA 26 H ALA 26 3.111 3.025 -1.003 194 HA ALA 26 HA ALA 26 5.358 1.363 -0.944 195 1HB ALA 26 1HB ALA 26 3.567 2.258 1.305 196 2HB ALA 26 2HB ALA 26 5.032 3.057 0.737 197 3HB ALA 26 3HB ALA 26 5.135 1.480 1.516 198 H HIS 27 H HIS 27 2.019 0.637 -0.912 199 HA HIS 27 HA HIS 27 2.171 -1.869 0.448 200 1HB HIS 27 2HB HIS 27 0.064 -0.658 0.353 201 2HB HIS 27 1HB HIS 27 0.071 -0.723 -1.405 202 HD1 HIS 27 1HD HIS 27 -0.880 -2.684 1.593 203 HD2 HIS 27 2HD HIS 27 -0.478 -3.282 -2.498 204 HE1 HIS 27 1HE HIS 27 -2.068 -4.854 1.073 205 H LYS 28 H LYS 28 1.650 -1.057 -2.990 206 HA LYS 28 HA LYS 28 2.039 -3.722 -3.876 207 1HB LYS 28 2HB LYS 28 1.512 -1.121 -5.076 208 2HB LYS 28 1HB LYS 28 2.609 -2.088 -6.053 209 1HG LYS 28 2HG LYS 28 0.134 -3.368 -5.017 210 2HG LYS 28 1HG LYS 28 0.007 -2.233 -6.363 211 1HD LYS 28 2HD LYS 28 1.005 -3.643 -7.812 212 2HD LYS 28 1HD LYS 28 2.157 -4.225 -6.608 213 1HE LYS 28 2HE LYS 28 -0.164 -5.256 -5.654 214 2HE LYS 28 1HE LYS 28 -0.470 -5.289 -7.390 215 1HZ LYS 28 1HZ LYS 28 1.197 -6.785 -7.750 216 2HZ LYS 28 2HZ LYS 28 0.718 -7.268 -6.202 217 3HZ LYS 28 3HZ LYS 28 2.095 -6.306 -6.398 218 H GLN 29 H GLN 29 4.213 -1.313 -2.870 219 HA GLN 29 HA GLN 29 6.436 -1.924 -4.507 220 1HB GLN 29 2HB GLN 29 5.992 -0.458 -1.959 221 2HB GLN 29 1HB GLN 29 7.634 -0.981 -2.311 222 1HG GLN 29 2HG GLN 29 6.884 0.136 -4.680 223 2HG GLN 29 1HG GLN 29 6.036 1.148 -3.512 224 1HE2 GLN 29 1HE2 GLN 29 7.177 2.951 -3.359 225 2HE2 GLN 29 2HE2 GLN 29 8.878 3.049 -3.069 226 H PHE 30 H PHE 30 5.955 -2.724 -1.053 227 HA PHE 30 HA PHE 30 7.033 -5.384 -1.532 228 1HB PHE 30 2HB PHE 30 8.485 -4.862 0.636 229 2HB PHE 30 1HB PHE 30 9.096 -4.593 -0.992 230 HD1 PHE 30 1HD PHE 30 6.951 -2.705 1.415 231 HD2 PHE 30 2HD PHE 30 10.306 -2.664 -1.203 232 HE1 PHE 30 1HE PHE 30 7.347 -0.340 1.967 233 HE2 PHE 30 2HE PHE 30 10.710 -0.300 -0.654 234 HZ PHE 30 HZ PHE 30 9.228 0.865 0.932 235 H TYR 31 H TYR 31 4.540 -3.903 -0.441 236 HA TYR 31 HA TYR 31 4.370 -5.331 2.125 237 1HB TYR 31 2HB TYR 31 3.733 -2.695 1.504 238 2HB TYR 31 1HB TYR 31 2.171 -3.504 1.581 239 HD1 TYR 31 1HD TYR 31 5.368 -3.545 3.532 240 HD2 TYR 31 2HD TYR 31 1.118 -3.383 3.620 241 HE1 TYR 31 1HE TYR 31 5.430 -3.417 5.987 242 HE2 TYR 31 2HE TYR 31 1.167 -3.254 6.075 243 HH TYR 31 HH TYR 31 3.658 -2.392 7.821 244 H CYS 32 H CYS 32 3.292 -5.383 -1.089 245 HA CYS 32 HA CYS 32 0.855 -6.859 -0.456 246 1HB CYS 32 2HB CYS 32 0.908 -5.075 -2.237 247 2HB CYS 32 1HB CYS 32 1.939 -6.143 -3.182 248 H LYS 33 H LYS 33 1.218 -8.926 0.055 249 HA LYS 33 HA LYS 33 3.253 -10.430 -1.419 250 1HB LYS 33 2HB LYS 33 1.672 -11.368 0.972 251 2HB LYS 33 1HB LYS 33 3.162 -12.051 0.334 252 1HG LYS 33 2HG LYS 33 3.367 -9.236 1.105 253 2HG LYS 33 1HG LYS 33 2.997 -10.335 2.434 254 1HD LYS 33 2HD LYS 33 5.397 -10.075 2.213 255 2HD LYS 33 1HD LYS 33 4.928 -11.723 1.792 256 1HE LYS 33 2HE LYS 33 5.395 -11.434 -0.434 257 2HE LYS 33 1HE LYS 33 5.097 -9.697 -0.380 258 1HZ LYS 33 1HZ LYS 33 7.337 -9.652 -0.493 259 2HZ LYS 33 2HZ LYS 33 7.533 -11.182 0.202 260 3HZ LYS 33 3HZ LYS 33 7.219 -9.840 1.185 261 H ASN 34 H ASN 34 0.578 -9.652 -2.478 262 HA ASN 34 HA ASN 34 -1.119 -10.538 -3.709 263 1HB ASN 34 2HB ASN 34 0.862 -11.560 -4.851 264 2HB ASN 34 1HB ASN 34 0.649 -12.990 -3.844 265 1HD2 ASN 34 1HD2 ASN 34 -0.173 -14.552 -5.021 266 2HD2 ASN 34 2HD2 ASN 34 -1.469 -14.402 -6.154 267 H LYS 35 H LYS 35 -2.059 -10.542 -1.374 268 HA LYS 35 HA LYS 35 -3.265 -11.546 0.290 269 1HB LYS 35 2HB LYS 35 -4.967 -13.168 -0.591 270 2HB LYS 35 1HB LYS 35 -4.900 -11.630 -1.441 271 1HG LYS 35 2HG LYS 35 -3.705 -12.627 -3.267 272 2HG LYS 35 1HG LYS 35 -3.560 -14.153 -2.392 273 1HD LYS 35 2HD LYS 35 -5.336 -14.269 -4.058 274 2HD LYS 35 1HD LYS 35 -5.994 -14.403 -2.426 275 1HE LYS 35 2HE LYS 35 -6.583 -12.016 -2.492 276 2HE LYS 35 1HE LYS 35 -5.967 -11.921 -4.140 277 1HZ LYS 35 1HZ LYS 35 -8.034 -13.906 -3.491 278 2HZ LYS 35 2HZ LYS 35 -7.716 -13.130 -4.960 279 3HZ LYS 35 3HZ LYS 35 -8.484 -12.290 -3.709 280 HA PRO 36 HA PRO 36 -0.343 -15.146 0.793 281 1HB PRO 36 2HB PRO 36 0.565 -14.391 3.241 282 2HB PRO 36 1HB PRO 36 1.291 -13.833 1.730 283 1HG PRO 36 2HG PRO 36 -0.667 -12.444 3.518 284 2HG PRO 36 1HG PRO 36 0.769 -11.789 2.710 285 1HD PRO 36 2HD PRO 36 -1.730 -11.411 1.751 286 2HD PRO 36 1HD PRO 36 -0.316 -11.563 0.687 Start of MODEL 4 1 1H GLY 1 1HT GLY 1 7.448 -3.765 -20.374 2 2H GLY 1 2HT GLY 1 7.983 -2.645 -21.522 3 3H GLY 1 3HT GLY 1 6.360 -3.118 -21.497 4 1HA GLY 1 1HA GLY 1 7.747 -1.160 -19.878 5 2HA GLY 1 2HA GLY 1 6.060 -1.220 -20.365 6 H SER 2 H SER 2 5.616 -0.553 -18.159 7 HA SER 2 HA SER 2 5.516 -2.872 -16.357 8 1HB SER 2 2HB SER 2 6.482 -0.092 -15.741 9 2HB SER 2 1HB SER 2 5.790 -1.103 -14.472 10 HG SER 2 HG SER 2 7.395 -2.626 -14.860 11 H ALA 3 H ALA 3 3.605 -3.192 -15.355 12 HA ALA 3 HA ALA 3 1.707 -1.199 -14.767 13 1HB ALA 3 1HB ALA 3 0.833 -2.882 -17.095 14 2HB ALA 3 2HB ALA 3 1.596 -1.307 -17.317 15 3HB ALA 3 3HB ALA 3 0.075 -1.433 -16.433 16 H ALA 4 H ALA 4 1.497 -2.258 -12.832 17 HA ALA 4 HA ALA 4 0.667 -5.063 -12.846 18 1HB ALA 4 1HB ALA 4 1.281 -3.319 -10.466 19 2HB ALA 4 2HB ALA 4 2.479 -4.291 -11.319 20 3HB ALA 4 3HB ALA 4 1.130 -5.076 -10.498 21 H GLU 5 H GLU 5 -1.395 -4.218 -13.884 22 HA GLU 5 HA GLU 5 -3.637 -3.854 -13.761 23 1HB GLU 5 2HB GLU 5 -3.359 -5.688 -12.029 24 2HB GLU 5 1HB GLU 5 -3.390 -4.421 -10.809 25 1HG GLU 5 2HG GLU 5 -5.616 -3.837 -11.336 26 2HG GLU 5 1HG GLU 5 -5.595 -4.805 -12.809 27 H VAL 6 H VAL 6 -5.344 -2.449 -12.765 28 HA VAL 6 HA VAL 6 -4.460 0.202 -12.598 29 HB VAL 6 HB VAL 6 -7.088 -0.851 -11.550 30 1HG1 VAL 6 1HG1 VAL 6 -6.646 1.449 -10.926 31 2HG1 VAL 6 2HG1 VAL 6 -7.910 1.390 -12.154 32 3HG1 VAL 6 3HG1 VAL 6 -6.269 1.855 -12.600 33 1HG2 VAL 6 1HG2 VAL 6 -7.209 -1.662 -13.678 34 2HG2 VAL 6 2HG2 VAL 6 -6.078 -0.468 -14.317 35 3HG2 VAL 6 3HG2 VAL 6 -7.747 -0.009 -13.977 36 H MET 7 H MET 7 -4.454 1.684 -10.857 37 HA MET 7 HA MET 7 -4.414 0.509 -8.168 38 1HB MET 7 2HB MET 7 -2.410 1.969 -7.668 39 2HB MET 7 1HB MET 7 -2.106 0.590 -8.717 40 1HG MET 7 2HG MET 7 -1.144 1.996 -10.126 41 2HG MET 7 1HG MET 7 -2.749 2.642 -10.464 42 1HE MET 7 1HE MET 7 -0.892 3.750 -6.739 43 2HE MET 7 2HE MET 7 0.509 4.087 -7.756 44 3HE MET 7 3HE MET 7 -0.232 2.487 -7.777 45 H LYS 8 H LYS 8 -6.597 1.586 -8.426 46 HA LYS 8 HA LYS 8 -6.503 4.484 -8.084 47 1HB LYS 8 2HB LYS 8 -8.980 2.767 -8.132 48 2HB LYS 8 1HB LYS 8 -8.850 4.490 -8.455 49 1HG LYS 8 2HG LYS 8 -7.233 3.525 -10.380 50 2HG LYS 8 1HG LYS 8 -8.375 2.188 -10.223 51 1HD LYS 8 2HD LYS 8 -9.583 4.870 -10.293 52 2HD LYS 8 1HD LYS 8 -8.777 4.369 -11.781 53 1HE LYS 8 2HE LYS 8 -11.227 3.797 -11.619 54 2HE LYS 8 1HE LYS 8 -10.149 2.451 -11.988 55 1HZ LYS 8 1HZ LYS 8 -10.288 1.692 -9.754 56 2HZ LYS 8 2HZ LYS 8 -11.870 1.959 -10.288 57 3HZ LYS 8 3HZ LYS 8 -11.127 3.074 -9.257 58 H LYS 9 H LYS 9 -5.302 3.282 -6.007 59 HA LYS 9 HA LYS 9 -5.255 3.172 -3.736 60 1HB LYS 9 2HB LYS 9 -7.503 5.064 -4.269 61 2HB LYS 9 1HB LYS 9 -7.265 4.487 -2.625 62 1HG LYS 9 2HG LYS 9 -6.038 6.429 -2.634 63 2HG LYS 9 1HG LYS 9 -4.804 5.221 -2.998 64 1HD LYS 9 2HD LYS 9 -4.345 6.786 -4.613 65 2HD LYS 9 1HD LYS 9 -5.482 5.753 -5.483 66 1HE LYS 9 2HE LYS 9 -5.936 8.185 -5.732 67 2HE LYS 9 1HE LYS 9 -7.285 7.272 -5.054 68 1HZ LYS 9 1HZ LYS 9 -5.428 8.424 -3.138 69 2HZ LYS 9 2HZ LYS 9 -7.114 8.317 -3.082 70 3HZ LYS 9 3HZ LYS 9 -6.375 9.529 -4.001 71 H TYR 10 H TYR 10 -6.308 0.960 -4.984 72 HA TYR 10 HA TYR 10 -7.786 -0.228 -2.850 73 1HB TYR 10 2HB TYR 10 -9.453 1.061 -4.470 74 2HB TYR 10 1HB TYR 10 -9.272 -0.403 -5.431 75 HD1 TYR 10 1HD TYR 10 -9.063 -2.443 -3.281 76 HD2 TYR 10 2HD TYR 10 -11.642 0.920 -3.664 77 HE1 TYR 10 1HE TYR 10 -10.736 -3.573 -1.878 78 HE2 TYR 10 2HE TYR 10 -13.322 -0.202 -2.260 79 HH TYR 10 HH TYR 10 -13.401 -1.970 -0.542 80 H CYS 11 H CYS 11 -6.608 -2.022 -2.680 81 HA CYS 11 HA CYS 11 -5.597 -3.352 -5.064 82 1HB CYS 11 2HB CYS 11 -4.251 -2.943 -2.907 83 2HB CYS 11 1HB CYS 11 -5.184 -4.271 -2.226 84 H SER 12 H SER 12 -7.438 -4.249 -5.979 85 HA SER 12 HA SER 12 -9.462 -5.642 -4.704 86 1HB SER 12 2HB SER 12 -9.791 -5.092 -6.983 87 2HB SER 12 1HB SER 12 -8.302 -5.899 -7.475 88 HG SER 12 HG SER 12 -9.445 -7.627 -7.741 89 H THR 13 H THR 13 -6.324 -6.803 -5.827 90 HA THR 13 HA THR 13 -6.724 -9.542 -5.456 91 HB THR 13 HB THR 13 -4.173 -7.953 -5.116 92 HG1 THR 13 1HG THR 13 -5.174 -9.309 -7.393 93 1HG2 THR 13 1HG2 THR 13 -4.203 -10.757 -6.084 94 2HG2 THR 13 2HG2 THR 13 -4.316 -10.459 -4.350 95 3HG2 THR 13 3HG2 THR 13 -2.932 -9.854 -5.259 96 H CYS 14 H CYS 14 -5.872 -7.008 -3.178 97 HA CYS 14 HA CYS 14 -5.561 -8.936 -1.017 98 1HB CYS 14 2HB CYS 14 -5.047 -5.991 -1.304 99 2HB CYS 14 1HB CYS 14 -5.100 -6.748 0.279 100 H ASP 15 H ASP 15 -7.884 -6.734 -2.312 101 HA ASP 15 HA ASP 15 -10.078 -6.397 -1.790 102 1HB ASP 15 2HB ASP 15 -9.762 -8.864 -0.862 103 2HB ASP 15 1HB ASP 15 -9.938 -8.052 0.691 104 H ILE 16 H ILE 16 -8.222 -4.553 -1.031 105 HA ILE 16 HA ILE 16 -9.523 -3.362 1.282 106 HB ILE 16 HB ILE 16 -6.521 -3.394 1.261 107 1HG1 ILE 16 2HG1 ILE 16 -8.306 -5.357 2.720 108 2HG1 ILE 16 1HG1 ILE 16 -7.287 -5.748 1.339 109 1HG2 ILE 16 1HG2 ILE 16 -7.064 -1.817 2.779 110 2HG2 ILE 16 2HG2 ILE 16 -7.266 -3.216 3.834 111 3HG2 ILE 16 3HG2 ILE 16 -8.672 -2.485 3.060 112 1HD1 ILE 16 1HD1 ILE 16 -5.873 -6.405 2.959 113 2HD1 ILE 16 2HD1 ILE 16 -6.575 -5.322 4.163 114 3HD1 ILE 16 3HD1 ILE 16 -5.442 -4.694 2.965 115 H SER 17 H SER 17 -8.859 -1.071 1.578 116 HA SER 17 HA SER 17 -7.770 0.149 -0.858 117 1HB SER 17 2HB SER 17 -10.156 0.292 -1.162 118 2HB SER 17 1HB SER 17 -10.377 0.895 0.480 119 HG SER 17 HG SER 17 -10.229 2.778 -0.438 120 H PHE 18 H PHE 18 -6.863 2.230 -0.575 121 HA PHE 18 HA PHE 18 -6.492 3.073 2.218 122 1HB PHE 18 2HB PHE 18 -4.270 3.163 0.181 123 2HB PHE 18 1HB PHE 18 -4.158 3.390 1.924 124 HD1 PHE 18 1HD PHE 18 -5.641 1.118 2.972 125 HD2 PHE 18 2HD PHE 18 -2.960 1.335 -0.327 126 HE1 PHE 18 1HE PHE 18 -5.115 -1.270 3.247 127 HE2 PHE 18 2HE PHE 18 -2.430 -1.053 -0.058 128 HZ PHE 18 HZ PHE 18 -3.509 -2.358 1.730 129 H ASN 19 H ASN 19 -6.864 5.168 2.555 130 HA ASN 19 HA ASN 19 -7.697 6.852 0.410 131 1HB ASN 19 2HB ASN 19 -7.213 7.407 3.342 132 2HB ASN 19 1HB ASN 19 -7.860 8.598 2.217 133 1HD2 ASN 19 1HD2 ASN 19 -9.913 8.239 1.292 134 2HD2 ASN 19 2HD2 ASN 19 -11.060 7.193 2.049 135 H TYR 20 H TYR 20 -4.737 6.438 2.212 136 HA TYR 20 HA TYR 20 -3.556 8.844 1.073 137 1HB TYR 20 2HB TYR 20 -2.038 6.823 2.691 138 2HB TYR 20 1HB TYR 20 -1.785 8.559 2.571 139 HD1 TYR 20 1HD TYR 20 -3.495 10.097 3.657 140 HD2 TYR 20 2HD TYR 20 -3.344 5.915 4.420 141 HE1 TYR 20 1HE TYR 20 -4.789 10.434 5.720 142 HE2 TYR 20 2HE TYR 20 -4.638 6.239 6.486 143 HH TYR 20 HH TYR 20 -5.175 7.966 8.071 144 H VAL 21 H VAL 21 -2.550 8.838 -0.816 145 HA VAL 21 HA VAL 21 -2.202 6.581 -2.419 146 HB VAL 21 HB VAL 21 -0.592 9.125 -2.637 147 1HG1 VAL 21 1HG1 VAL 21 -1.440 7.069 -4.673 148 2HG1 VAL 21 2HG1 VAL 21 0.197 7.359 -4.084 149 3HG1 VAL 21 3HG1 VAL 21 -0.624 8.586 -5.048 150 1HG2 VAL 21 1HG2 VAL 21 -2.793 9.904 -2.526 151 2HG2 VAL 21 2HG2 VAL 21 -3.424 8.524 -3.424 152 3HG2 VAL 21 3HG2 VAL 21 -2.478 9.758 -4.255 153 H LYS 22 H LYS 22 0.065 8.245 -0.275 154 HA LYS 22 HA LYS 22 2.406 6.911 -0.964 155 1HB LYS 22 2HB LYS 22 2.995 7.311 1.535 156 2HB LYS 22 1HB LYS 22 2.744 8.694 0.481 157 1HG LYS 22 2HG LYS 22 0.253 7.915 1.666 158 2HG LYS 22 1HG LYS 22 1.479 8.128 2.917 159 1HD LYS 22 2HD LYS 22 1.295 10.337 2.748 160 2HD LYS 22 1HD LYS 22 1.723 10.259 1.039 161 1HE LYS 22 2HE LYS 22 -0.331 11.058 0.666 162 2HE LYS 22 1HE LYS 22 -0.884 9.423 1.028 163 1HZ LYS 22 1HZ LYS 22 -0.985 10.187 3.419 164 2HZ LYS 22 2HZ LYS 22 -2.147 10.841 2.379 165 3HZ LYS 22 3HZ LYS 22 -0.806 11.766 2.837 166 H THR 23 H THR 23 -0.251 5.909 1.086 167 HA THR 23 HA THR 23 1.003 3.640 2.226 168 HB THR 23 HB THR 23 -1.938 4.121 1.723 169 HG1 THR 23 1HG THR 23 -0.369 4.734 4.004 170 1HG2 THR 23 1HG2 THR 23 -1.933 1.945 2.413 171 2HG2 THR 23 2HG2 THR 23 -2.002 2.783 3.964 172 3HG2 THR 23 3HG2 THR 23 -0.469 2.137 3.377 173 H TYR 24 H TYR 24 -1.150 4.044 -0.570 174 HA TYR 24 HA TYR 24 -1.225 1.325 -1.304 175 1HB TYR 24 2HB TYR 24 -2.667 3.362 -2.107 176 2HB TYR 24 1HB TYR 24 -1.425 3.513 -3.346 177 HD1 TYR 24 1HD TYR 24 -4.057 1.310 -1.990 178 HD2 TYR 24 2HD TYR 24 -1.312 1.980 -5.171 179 HE1 TYR 24 1HE TYR 24 -5.185 -0.421 -3.321 180 HE2 TYR 24 2HE TYR 24 -2.434 0.251 -6.512 181 HH TYR 24 HH TYR 24 -5.176 -0.750 -6.302 182 H LEU 25 H LEU 25 1.041 3.897 -1.952 183 HA LEU 25 HA LEU 25 2.439 2.637 -4.066 184 1HB LEU 25 2HB LEU 25 2.521 5.102 -2.942 185 2HB LEU 25 1HB LEU 25 3.973 4.394 -2.260 186 HG LEU 25 HG LEU 25 4.374 3.737 -4.821 187 1HD1 LEU 25 1HD1 LEU 25 3.717 6.056 -5.961 188 2HD1 LEU 25 2HD1 LEU 25 2.366 5.908 -4.836 189 3HD1 LEU 25 3HD1 LEU 25 2.673 4.634 -6.016 190 1HD2 LEU 25 1HD2 LEU 25 4.996 6.556 -4.101 191 2HD2 LEU 25 2HD2 LEU 25 6.031 5.314 -4.807 192 3HD2 LEU 25 3HD2 LEU 25 5.641 5.265 -3.088 193 H ALA 26 H ALA 26 3.328 3.013 -0.650 194 HA ALA 26 HA ALA 26 5.499 1.268 -0.697 195 1HB ALA 26 1HB ALA 26 3.778 1.724 1.720 196 2HB ALA 26 2HB ALA 26 4.887 2.949 1.102 197 3HB ALA 26 3HB ALA 26 5.509 1.394 1.655 198 H HIS 27 H HIS 27 2.132 0.659 -0.704 199 HA HIS 27 HA HIS 27 2.155 -1.936 0.450 200 1HB HIS 27 2HB HIS 27 0.102 -0.611 0.316 201 2HB HIS 27 1HB HIS 27 0.175 -0.650 -1.442 202 HD1 HIS 27 1HD HIS 27 -1.002 -2.590 1.474 203 HD2 HIS 27 2HD HIS 27 -0.368 -3.204 -2.586 204 HE1 HIS 27 1HE HIS 27 -2.231 -4.718 0.878 205 H LYS 28 H LYS 28 1.709 -0.946 -2.953 206 HA LYS 28 HA LYS 28 2.112 -3.557 -3.964 207 1HB LYS 28 2HB LYS 28 2.448 -2.322 -6.169 208 2HB LYS 28 1HB LYS 28 0.908 -2.080 -5.355 209 1HG LYS 28 2HG LYS 28 1.271 0.106 -5.050 210 2HG LYS 28 1HG LYS 28 2.968 -0.132 -4.628 211 1HD LYS 28 2HD LYS 28 3.063 1.060 -6.630 212 2HD LYS 28 1HD LYS 28 3.304 -0.614 -7.134 213 1HE LYS 28 2HE LYS 28 0.505 0.298 -7.048 214 2HE LYS 28 1HE LYS 28 1.518 1.078 -8.262 215 1HZ LYS 28 1HZ LYS 28 0.661 -0.773 -9.340 216 2HZ LYS 28 2HZ LYS 28 0.840 -1.783 -7.995 217 3HZ LYS 28 3HZ LYS 28 2.202 -1.290 -8.870 218 H GLN 29 H GLN 29 4.287 -1.221 -2.796 219 HA GLN 29 HA GLN 29 6.539 -1.778 -4.408 220 1HB GLN 29 2HB GLN 29 6.061 -0.452 -1.788 221 2HB GLN 29 1HB GLN 29 7.705 -0.961 -2.151 222 1HG GLN 29 2HG GLN 29 6.000 0.911 -3.775 223 2HG GLN 29 1HG GLN 29 7.398 1.336 -2.791 224 1HE2 GLN 29 1HE2 GLN 29 6.292 0.212 -5.815 225 2HE2 GLN 29 2HE2 GLN 29 7.835 0.023 -6.570 226 H PHE 30 H PHE 30 5.956 -2.760 -1.018 227 HA PHE 30 HA PHE 30 6.980 -5.412 -1.605 228 1HB PHE 30 2HB PHE 30 8.463 -5.018 0.568 229 2HB PHE 30 1HB PHE 30 9.069 -4.706 -1.053 230 HD1 PHE 30 1HD PHE 30 7.513 -3.076 1.892 231 HD2 PHE 30 2HD PHE 30 9.823 -2.579 -1.647 232 HE1 PHE 30 1HE PHE 30 7.986 -0.747 2.532 233 HE2 PHE 30 2HE PHE 30 10.301 -0.250 -1.014 234 HZ PHE 30 HZ PHE 30 9.383 0.669 1.078 235 H TYR 31 H TYR 31 4.519 -3.962 -0.470 236 HA TYR 31 HA TYR 31 4.350 -5.424 2.076 237 1HB TYR 31 2HB TYR 31 3.702 -2.786 1.491 238 2HB TYR 31 1HB TYR 31 2.142 -3.602 1.541 239 HD1 TYR 31 1HD TYR 31 5.121 -2.685 3.486 240 HD2 TYR 31 2HD TYR 31 1.270 -4.488 3.606 241 HE1 TYR 31 1HE TYR 31 5.160 -2.592 5.942 242 HE2 TYR 31 2HE TYR 31 1.297 -4.398 6.063 243 HH TYR 31 HH TYR 31 3.613 -2.595 7.811 244 H CYS 32 H CYS 32 3.019 -5.136 -1.106 245 HA CYS 32 HA CYS 32 0.626 -6.619 -0.587 246 1HB CYS 32 2HB CYS 32 0.969 -4.976 -2.479 247 2HB CYS 32 1HB CYS 32 1.969 -6.195 -3.258 248 H LYS 33 H LYS 33 0.791 -8.669 0.086 249 HA LYS 33 HA LYS 33 2.880 -10.393 -0.971 250 1HB LYS 33 2HB LYS 33 2.296 -10.222 1.489 251 2HB LYS 33 1HB LYS 33 0.803 -11.066 1.101 252 1HG LYS 33 2HG LYS 33 1.969 -12.890 1.572 253 2HG LYS 33 1HG LYS 33 2.636 -12.694 -0.046 254 1HD LYS 33 2HD LYS 33 3.882 -11.396 2.362 255 2HD LYS 33 1HD LYS 33 4.294 -13.041 1.869 256 1HE LYS 33 2HE LYS 33 4.991 -12.228 -0.317 257 2HE LYS 33 1HE LYS 33 4.536 -10.586 0.134 258 1HZ LYS 33 1HZ LYS 33 6.404 -11.928 1.910 259 2HZ LYS 33 2HZ LYS 33 6.377 -10.322 1.379 260 3HZ LYS 33 3HZ LYS 33 7.000 -11.532 0.376 261 H ASN 34 H ASN 34 0.562 -9.541 -2.615 262 HA ASN 34 HA ASN 34 -0.377 -12.227 -3.333 263 1HB ASN 34 2HB ASN 34 -2.117 -9.758 -3.428 264 2HB ASN 34 1HB ASN 34 -2.602 -11.418 -3.763 265 1HD2 ASN 34 1HD2 ASN 34 -1.223 -9.399 -1.204 266 2HD2 ASN 34 2HD2 ASN 34 -2.020 -10.205 0.100 267 H LYS 35 H LYS 35 1.218 -12.252 -4.964 268 HA LYS 35 HA LYS 35 0.632 -10.468 -7.236 269 1HB LYS 35 2HB LYS 35 3.322 -11.722 -6.713 270 2HB LYS 35 1HB LYS 35 2.930 -10.421 -7.829 271 1HG LYS 35 2HG LYS 35 3.789 -9.137 -6.199 272 2HG LYS 35 1HG LYS 35 2.168 -9.285 -5.517 273 1HD LYS 35 2HD LYS 35 3.366 -9.916 -3.689 274 2HD LYS 35 1HD LYS 35 3.241 -11.490 -4.478 275 1HE LYS 35 2HE LYS 35 5.520 -11.124 -3.777 276 2HE LYS 35 1HE LYS 35 5.435 -11.093 -5.538 277 1HZ LYS 35 1HZ LYS 35 5.348 -8.620 -3.915 278 2HZ LYS 35 2HZ LYS 35 5.666 -8.775 -5.569 279 3HZ LYS 35 3HZ LYS 35 6.806 -9.302 -4.437 280 HA PRO 36 HA PRO 36 -0.148 -14.867 -8.518 281 1HB PRO 36 2HB PRO 36 -2.429 -14.336 -9.887 282 2HB PRO 36 1HB PRO 36 -2.407 -14.654 -8.149 283 1HG PRO 36 2HG PRO 36 -2.525 -12.035 -9.595 284 2HG PRO 36 1HG PRO 36 -3.436 -12.568 -8.170 285 1HD PRO 36 2HD PRO 36 -1.266 -10.958 -7.993 286 2HD PRO 36 1HD PRO 36 -1.685 -12.136 -6.733 Start of MODEL 5 1 1H GLY 1 1HT GLY 1 -10.720 11.650 -2.945 2 2H GLY 1 2HT GLY 1 -10.743 11.575 -4.634 3 3H GLY 1 3HT GLY 1 -12.001 12.344 -3.806 4 1HA GLY 1 1HA GLY 1 -9.905 13.720 -2.883 5 2HA GLY 1 2HA GLY 1 -9.366 13.325 -4.509 6 H SER 2 H SER 2 -9.465 15.752 -4.607 7 HA SER 2 HA SER 2 -12.104 16.532 -5.628 8 1HB SER 2 2HB SER 2 -10.354 18.235 -3.837 9 2HB SER 2 1HB SER 2 -11.837 18.776 -4.625 10 HG SER 2 HG SER 2 -13.006 17.379 -3.368 11 H ALA 3 H ALA 3 -12.073 17.661 -7.500 12 HA ALA 3 HA ALA 3 -11.284 18.565 -9.434 13 1HB ALA 3 1HB ALA 3 -8.964 19.836 -9.018 14 2HB ALA 3 2HB ALA 3 -9.518 19.694 -7.349 15 3HB ALA 3 3HB ALA 3 -10.526 20.506 -8.548 16 H ALA 4 H ALA 4 -10.545 15.841 -8.698 17 HA ALA 4 HA ALA 4 -8.760 15.273 -10.797 18 1HB ALA 4 1HB ALA 4 -6.853 15.837 -9.716 19 2HB ALA 4 2HB ALA 4 -7.035 14.219 -9.040 20 3HB ALA 4 3HB ALA 4 -7.565 15.625 -8.117 21 H GLU 5 H GLU 5 -8.906 13.744 -7.594 22 HA GLU 5 HA GLU 5 -9.632 11.699 -6.913 23 1HB GLU 5 2HB GLU 5 -11.805 12.705 -7.735 24 2HB GLU 5 1HB GLU 5 -11.558 11.820 -9.234 25 1HG GLU 5 2HG GLU 5 -11.364 10.203 -6.794 26 2HG GLU 5 1HG GLU 5 -12.952 10.898 -7.111 27 H VAL 6 H VAL 6 -7.882 10.418 -7.304 28 HA VAL 6 HA VAL 6 -7.653 9.178 -9.959 29 HB VAL 6 HB VAL 6 -5.612 9.117 -7.735 30 1HG1 VAL 6 1HG1 VAL 6 -5.364 8.536 -10.684 31 2HG1 VAL 6 2HG1 VAL 6 -5.428 7.327 -9.403 32 3HG1 VAL 6 3HG1 VAL 6 -4.069 8.447 -9.491 33 1HG2 VAL 6 1HG2 VAL 6 -5.964 11.420 -8.388 34 2HG2 VAL 6 2HG2 VAL 6 -5.814 10.991 -10.091 35 3HG2 VAL 6 3HG2 VAL 6 -4.420 10.855 -9.021 36 H MET 7 H MET 7 -7.402 6.923 -10.162 37 HA MET 7 HA MET 7 -8.544 5.411 -7.919 38 1HB MET 7 2HB MET 7 -9.783 5.398 -10.092 39 2HB MET 7 1HB MET 7 -8.397 4.607 -10.830 40 1HG MET 7 2HG MET 7 -8.871 2.609 -9.908 41 2HG MET 7 1HG MET 7 -9.477 3.318 -8.413 42 1HE MET 7 1HE MET 7 -11.664 5.248 -9.107 43 2HE MET 7 2HE MET 7 -11.995 3.941 -7.970 44 3HE MET 7 3HE MET 7 -13.124 4.273 -9.283 45 H LYS 8 H LYS 8 -6.172 5.741 -7.226 46 HA LYS 8 HA LYS 8 -4.750 3.271 -7.925 47 1HB LYS 8 2HB LYS 8 -3.508 6.017 -7.680 48 2HB LYS 8 1HB LYS 8 -2.590 4.518 -7.765 49 1HG LYS 8 2HG LYS 8 -4.080 4.230 -9.965 50 2HG LYS 8 1HG LYS 8 -4.020 5.992 -9.884 51 1HD LYS 8 2HD LYS 8 -2.085 5.729 -11.009 52 2HD LYS 8 1HD LYS 8 -1.428 5.382 -9.408 53 1HE LYS 8 2HE LYS 8 -2.125 2.940 -9.926 54 2HE LYS 8 1HE LYS 8 -2.172 3.485 -11.602 55 1HZ LYS 8 1HZ LYS 8 -0.018 2.888 -11.531 56 2HZ LYS 8 2HZ LYS 8 0.108 3.065 -9.853 57 3HZ LYS 8 3HZ LYS 8 0.195 4.425 -10.856 58 H LYS 9 H LYS 9 -6.378 3.419 -5.790 59 HA LYS 9 HA LYS 9 -4.518 3.065 -3.602 60 1HB LYS 9 2HB LYS 9 -5.994 4.489 -2.082 61 2HB LYS 9 1HB LYS 9 -4.922 5.344 -3.182 62 1HG LYS 9 2HG LYS 9 -6.677 6.499 -3.876 63 2HG LYS 9 1HG LYS 9 -7.298 5.014 -4.600 64 1HD LYS 9 2HD LYS 9 -9.072 5.486 -3.265 65 2HD LYS 9 1HD LYS 9 -8.095 4.619 -2.079 66 1HE LYS 9 2HE LYS 9 -8.876 6.633 -1.058 67 2HE LYS 9 1HE LYS 9 -7.149 6.814 -1.364 68 1HZ LYS 9 1HZ LYS 9 -8.153 7.830 -3.604 69 2HZ LYS 9 2HZ LYS 9 -7.821 8.762 -2.232 70 3HZ LYS 9 3HZ LYS 9 -9.399 8.232 -2.531 71 H TYR 10 H TYR 10 -5.747 1.050 -4.760 72 HA TYR 10 HA TYR 10 -7.386 -0.031 -2.690 73 1HB TYR 10 2HB TYR 10 -9.120 1.242 -3.833 74 2HB TYR 10 1HB TYR 10 -8.667 0.523 -5.375 75 HD1 TYR 10 1HD TYR 10 -10.202 -1.007 -6.142 76 HD2 TYR 10 2HD TYR 10 -9.468 -0.785 -1.958 77 HE1 TYR 10 1HE TYR 10 -11.810 -2.829 -5.770 78 HE2 TYR 10 2HE TYR 10 -11.074 -2.607 -1.574 79 HH TYR 10 HH TYR 10 -12.220 -4.591 -4.003 80 H CYS 11 H CYS 11 -6.351 -1.917 -2.520 81 HA CYS 11 HA CYS 11 -5.319 -3.270 -4.864 82 1HB CYS 11 2HB CYS 11 -4.166 -3.108 -2.565 83 2HB CYS 11 1HB CYS 11 -5.291 -4.364 -2.059 84 H SER 12 H SER 12 -6.842 -4.238 -6.069 85 HA SER 12 HA SER 12 -9.249 -5.325 -5.130 86 1HB SER 12 2HB SER 12 -9.558 -6.192 -7.324 87 2HB SER 12 1HB SER 12 -8.658 -4.690 -7.524 88 HG SER 12 HG SER 12 -6.737 -6.032 -7.583 89 H THR 13 H THR 13 -6.081 -6.777 -5.654 90 HA THR 13 HA THR 13 -6.827 -9.466 -5.318 91 HB THR 13 HB THR 13 -4.185 -8.152 -4.655 92 HG1 THR 13 1HG THR 13 -4.064 -7.920 -6.723 93 1HG2 THR 13 1HG2 THR 13 -3.149 -10.250 -4.889 94 2HG2 THR 13 2HG2 THR 13 -4.634 -11.003 -5.472 95 3HG2 THR 13 3HG2 THR 13 -4.505 -10.492 -3.790 96 H CYS 14 H CYS 14 -5.485 -7.146 -2.971 97 HA CYS 14 HA CYS 14 -5.797 -8.931 -0.764 98 1HB CYS 14 2HB CYS 14 -5.141 -5.999 -0.996 99 2HB CYS 14 1HB CYS 14 -5.299 -6.807 0.555 100 H ASP 15 H ASP 15 -7.782 -6.561 -2.326 101 HA ASP 15 HA ASP 15 -9.998 -6.074 -2.083 102 1HB ASP 15 2HB ASP 15 -10.041 -8.545 -1.224 103 2HB ASP 15 1HB ASP 15 -10.214 -7.799 0.362 104 H ILE 16 H ILE 16 -7.989 -4.481 -0.953 105 HA ILE 16 HA ILE 16 -9.511 -3.222 1.214 106 HB ILE 16 HB ILE 16 -6.516 -3.331 1.380 107 1HG1 ILE 16 2HG1 ILE 16 -7.368 -5.666 1.358 108 2HG1 ILE 16 1HG1 ILE 16 -6.659 -5.216 2.906 109 1HG2 ILE 16 1HG2 ILE 16 -7.190 -1.730 2.850 110 2HG2 ILE 16 2HG2 ILE 16 -7.329 -3.144 3.892 111 3HG2 ILE 16 3HG2 ILE 16 -8.765 -2.477 3.115 112 1HD1 ILE 16 1HD1 ILE 16 -9.514 -4.706 2.792 113 2HD1 ILE 16 2HD1 ILE 16 -8.562 -5.583 3.990 114 3HD1 ILE 16 3HD1 ILE 16 -9.103 -6.400 2.523 115 H SER 17 H SER 17 -8.822 -0.957 1.599 116 HA SER 17 HA SER 17 -7.577 0.285 -0.754 117 1HB SER 17 2HB SER 17 -9.533 2.104 0.073 118 2HB SER 17 1HB SER 17 -9.568 1.112 -1.384 119 HG SER 17 HG SER 17 -10.892 0.768 1.044 120 H PHE 18 H PHE 18 -6.855 2.515 -0.357 121 HA PHE 18 HA PHE 18 -6.338 3.070 2.485 122 1HB PHE 18 2HB PHE 18 -4.274 3.474 0.320 123 2HB PHE 18 1HB PHE 18 -4.046 3.590 2.062 124 HD1 PHE 18 1HD PHE 18 -5.101 1.235 3.190 125 HD2 PHE 18 2HD PHE 18 -3.126 1.698 -0.550 126 HE1 PHE 18 1HE PHE 18 -4.426 -1.130 3.259 127 HE2 PHE 18 2HE PHE 18 -2.447 -0.666 -0.489 128 HZ PHE 18 HZ PHE 18 -3.096 -2.083 1.419 129 H ASN 19 H ASN 19 -6.736 5.105 3.087 130 HA ASN 19 HA ASN 19 -7.953 6.941 1.337 131 1HB ASN 19 2HB ASN 19 -7.011 6.992 4.159 132 2HB ASN 19 1HB ASN 19 -7.294 8.544 3.376 133 1HD2 ASN 19 1HD2 ASN 19 -9.160 9.273 4.101 134 2HD2 ASN 19 2HD2 ASN 19 -10.637 8.379 4.175 135 H TYR 20 H TYR 20 -4.638 6.461 2.297 136 HA TYR 20 HA TYR 20 -3.839 8.899 0.864 137 1HB TYR 20 2HB TYR 20 -2.077 7.173 2.602 138 2HB TYR 20 1HB TYR 20 -1.773 8.817 2.052 139 HD1 TYR 20 1HD TYR 20 -2.367 10.631 3.397 140 HD2 TYR 20 2HD TYR 20 -4.076 6.815 4.185 141 HE1 TYR 20 1HE TYR 20 -3.364 11.510 5.466 142 HE2 TYR 20 2HE TYR 20 -5.078 7.684 6.255 143 HH TYR 20 HH TYR 20 -4.165 10.210 7.822 144 H VAL 21 H VAL 21 -2.922 8.756 -1.075 145 HA VAL 21 HA VAL 21 -2.721 6.368 -2.504 146 HB VAL 21 HB VAL 21 -1.140 8.873 -3.085 147 1HG1 VAL 21 1HG1 VAL 21 -0.739 8.040 -5.142 148 2HG1 VAL 21 2HG1 VAL 21 -2.307 7.240 -5.241 149 3HG1 VAL 21 3HG1 VAL 21 -0.991 6.492 -4.336 150 1HG2 VAL 21 1HG2 VAL 21 -3.274 9.738 -2.907 151 2HG2 VAL 21 2HG2 VAL 21 -4.037 8.246 -3.455 152 3HG2 VAL 21 3HG2 VAL 21 -3.209 9.289 -4.611 153 H LYS 22 H LYS 22 -0.314 8.129 -0.628 154 HA LYS 22 HA LYS 22 1.992 6.802 -1.434 155 1HB LYS 22 2HB LYS 22 1.455 8.747 0.374 156 2HB LYS 22 1HB LYS 22 1.782 7.400 1.454 157 1HG LYS 22 2HG LYS 22 3.847 8.430 1.204 158 2HG LYS 22 1HG LYS 22 3.921 7.069 0.082 159 1HD LYS 22 2HD LYS 22 3.707 8.434 -1.783 160 2HD LYS 22 1HD LYS 22 2.983 9.751 -0.859 161 1HE LYS 22 2HE LYS 22 5.720 8.993 -0.077 162 2HE LYS 22 1HE LYS 22 5.556 9.712 -1.678 163 1HZ LYS 22 1HZ LYS 22 5.094 10.902 0.951 164 2HZ LYS 22 2HZ LYS 22 4.107 11.419 -0.322 165 3HZ LYS 22 3HZ LYS 22 5.786 11.580 -0.436 166 H THR 23 H THR 23 -0.563 5.794 0.714 167 HA THR 23 HA THR 23 0.754 3.616 1.935 168 HB THR 23 HB THR 23 -2.198 3.811 1.347 169 HG1 THR 23 1HG THR 23 -0.719 4.994 3.457 170 1HG2 THR 23 1HG2 THR 23 -2.304 2.775 3.667 171 2HG2 THR 23 2HG2 THR 23 -0.599 2.387 3.438 172 3HG2 THR 23 3HG2 THR 23 -1.808 1.735 2.332 173 H TYR 24 H TYR 24 -1.420 3.790 -0.875 174 HA TYR 24 HA TYR 24 -1.376 1.067 -1.525 175 1HB TYR 24 2HB TYR 24 -2.891 2.919 -2.453 176 2HB TYR 24 1HB TYR 24 -1.578 3.273 -3.569 177 HD1 TYR 24 1HD TYR 24 -3.272 0.167 -2.338 178 HD2 TYR 24 2HD TYR 24 -1.927 2.433 -5.678 179 HE1 TYR 24 1HE TYR 24 -4.089 -1.590 -3.852 180 HE2 TYR 24 2HE TYR 24 -2.742 0.683 -7.201 181 HH TYR 24 HH TYR 24 -3.598 -2.396 -6.174 182 H LEU 25 H LEU 25 0.793 3.695 -2.329 183 HA LEU 25 HA LEU 25 2.314 2.366 -4.291 184 1HB LEU 25 2HB LEU 25 2.305 4.880 -3.210 185 2HB LEU 25 1HB LEU 25 3.792 4.221 -2.559 186 HG LEU 25 HG LEU 25 4.113 3.529 -5.135 187 1HD1 LEU 25 1HD1 LEU 25 3.249 5.090 -6.645 188 2HD1 LEU 25 2HD1 LEU 25 2.752 6.192 -5.362 189 3HD1 LEU 25 3HD1 LEU 25 1.882 4.679 -5.610 190 1HD2 LEU 25 1HD2 LEU 25 5.601 4.876 -3.614 191 2HD2 LEU 25 2HD2 LEU 25 4.722 6.308 -4.151 192 3HD2 LEU 25 3HD2 LEU 25 5.632 5.343 -5.314 193 H ALA 26 H ALA 26 3.214 3.009 -0.918 194 HA ALA 26 HA ALA 26 5.371 1.261 -0.822 195 1HB ALA 26 1HB ALA 26 5.155 1.393 1.624 196 2HB ALA 26 2HB ALA 26 3.578 2.157 1.427 197 3HB ALA 26 3HB ALA 26 5.032 2.976 0.856 198 H HIS 27 H HIS 27 2.018 0.599 -0.848 199 HA HIS 27 HA HIS 27 2.103 -1.908 0.515 200 1HB HIS 27 2HB HIS 27 0.022 -0.638 0.374 201 2HB HIS 27 1HB HIS 27 0.049 -0.753 -1.382 202 HD1 HIS 27 1HD HIS 27 -0.982 -2.604 1.656 203 HD2 HIS 27 2HD HIS 27 -0.516 -3.342 -2.406 204 HE1 HIS 27 1HE HIS 27 -2.200 -4.769 1.183 205 H LYS 28 H LYS 28 1.570 -1.117 -2.926 206 HA LYS 28 HA LYS 28 1.960 -3.778 -3.804 207 1HB LYS 28 2HB LYS 28 2.274 -1.240 -5.415 208 2HB LYS 28 1HB LYS 28 1.985 -2.855 -6.047 209 1HG LYS 28 2HG LYS 28 0.013 -1.755 -4.125 210 2HG LYS 28 1HG LYS 28 0.043 -1.085 -5.758 211 1HD LYS 28 2HD LYS 28 0.136 -4.023 -5.600 212 2HD LYS 28 1HD LYS 28 -1.365 -3.285 -5.034 213 1HE LYS 28 2HE LYS 28 -1.887 -3.454 -7.236 214 2HE LYS 28 1HE LYS 28 -1.058 -1.899 -7.287 215 1HZ LYS 28 1HZ LYS 28 0.077 -4.551 -7.984 216 2HZ LYS 28 2HZ LYS 28 0.994 -3.134 -7.868 217 3HZ LYS 28 3HZ LYS 28 -0.223 -3.259 -9.036 218 H GLN 29 H GLN 29 4.154 -1.358 -2.832 219 HA GLN 29 HA GLN 29 6.370 -2.018 -4.451 220 1HB GLN 29 2HB GLN 29 5.879 -0.427 -2.027 221 2HB GLN 29 1HB GLN 29 7.497 -1.105 -2.129 222 1HG GLN 29 2HG GLN 29 7.023 1.253 -3.084 223 2HG GLN 29 1HG GLN 29 8.054 0.139 -3.976 224 1HE2 GLN 29 1HE2 GLN 29 7.208 -0.890 -5.837 225 2HE2 GLN 29 2HE2 GLN 29 5.870 -0.215 -6.696 226 H PHE 30 H PHE 30 5.873 -2.793 -0.994 227 HA PHE 30 HA PHE 30 6.887 -5.475 -1.450 228 1HB PHE 30 2HB PHE 30 8.421 -4.954 0.661 229 2HB PHE 30 1HB PHE 30 8.987 -4.736 -0.991 230 HD1 PHE 30 1HD PHE 30 6.930 -2.716 1.383 231 HD2 PHE 30 2HD PHE 30 10.293 -2.870 -1.219 232 HE1 PHE 30 1HE PHE 30 7.412 -0.353 1.874 233 HE2 PHE 30 2HE PHE 30 10.783 -0.509 -0.733 234 HZ PHE 30 HZ PHE 30 9.342 0.753 0.816 235 H TYR 31 H TYR 31 4.447 -3.973 -0.348 236 HA TYR 31 HA TYR 31 4.343 -5.287 2.282 237 1HB TYR 31 2HB TYR 31 3.683 -2.680 1.562 238 2HB TYR 31 1HB TYR 31 2.128 -3.488 1.724 239 HD1 TYR 31 1HD TYR 31 4.858 -1.967 3.457 240 HD2 TYR 31 2HD TYR 31 1.666 -4.745 3.904 241 HE1 TYR 31 1HE TYR 31 4.996 -1.724 5.899 242 HE2 TYR 31 2HE TYR 31 1.795 -4.508 6.348 243 HH TYR 31 HH TYR 31 4.400 -2.910 7.906 244 H CYS 32 H CYS 32 2.980 -5.227 -0.886 245 HA CYS 32 HA CYS 32 0.563 -6.615 -0.229 246 1HB CYS 32 2HB CYS 32 0.895 -5.134 -2.244 247 2HB CYS 32 1HB CYS 32 1.887 -6.413 -2.936 248 H LYS 33 H LYS 33 0.089 -8.772 -0.428 249 HA LYS 33 HA LYS 33 2.408 -10.560 -0.573 250 1HB LYS 33 2HB LYS 33 0.969 -12.217 0.526 251 2HB LYS 33 1HB LYS 33 1.056 -10.727 1.455 252 1HG LYS 33 2HG LYS 33 -1.174 -10.894 -0.454 253 2HG LYS 33 1HG LYS 33 -1.230 -12.033 0.892 254 1HD LYS 33 2HD LYS 33 -0.555 -9.227 1.548 255 2HD LYS 33 1HD LYS 33 -2.215 -9.547 1.041 256 1HE LYS 33 2HE LYS 33 -1.080 -11.415 3.022 257 2HE LYS 33 1HE LYS 33 -1.355 -9.766 3.584 258 1HZ LYS 33 1HZ LYS 33 -3.522 -11.008 2.088 259 2HZ LYS 33 2HZ LYS 33 -3.581 -9.994 3.441 260 3HZ LYS 33 3HZ LYS 33 -3.223 -11.636 3.632 261 H ASN 34 H ASN 34 1.358 -9.475 -2.978 262 HA ASN 34 HA ASN 34 -0.341 -11.413 -4.236 263 1HB ASN 34 2HB ASN 34 0.181 -10.123 -6.316 264 2HB ASN 34 1HB ASN 34 -0.453 -9.132 -5.004 265 1HD2 ASN 34 1HD2 ASN 34 2.213 -9.777 -7.063 266 2HD2 ASN 34 2HD2 ASN 34 3.227 -8.486 -6.524 267 H LYS 35 H LYS 35 1.325 -13.104 -3.378 268 HA LYS 35 HA LYS 35 3.776 -13.494 -4.669 269 1HB LYS 35 2HB LYS 35 3.139 -14.693 -2.631 270 2HB LYS 35 1HB LYS 35 1.884 -15.552 -3.514 271 1HG LYS 35 2HG LYS 35 3.764 -16.433 -4.994 272 2HG LYS 35 1HG LYS 35 4.860 -15.836 -3.746 273 1HD LYS 35 2HD LYS 35 2.557 -17.651 -3.095 274 2HD LYS 35 1HD LYS 35 4.121 -18.284 -3.608 275 1HE LYS 35 2HE LYS 35 4.527 -18.266 -1.384 276 2HE LYS 35 1HE LYS 35 4.937 -16.582 -1.707 277 1HZ LYS 35 1HZ LYS 35 3.092 -15.837 -0.668 278 2HZ LYS 35 2HZ LYS 35 3.224 -17.303 0.166 279 3HZ LYS 35 3HZ LYS 35 2.141 -17.161 -1.126 280 HA PRO 36 HA PRO 36 2.521 -14.701 -8.748 281 1HB PRO 36 2HB PRO 36 4.776 -15.985 -9.539 282 2HB PRO 36 1HB PRO 36 4.669 -14.226 -9.412 283 1HG PRO 36 2HG PRO 36 5.835 -16.197 -7.482 284 2HG PRO 36 1HG PRO 36 6.478 -14.628 -8.004 285 1HD PRO 36 2HD PRO 36 5.191 -14.958 -5.647 286 2HD PRO 36 1HD PRO 36 5.105 -13.448 -6.575 Start of MODEL 6 1 1H GLY 1 1HT GLY 1 -22.918 5.915 -17.035 2 2H GLY 1 2HT GLY 1 -21.839 7.019 -17.725 3 3H GLY 1 3HT GLY 1 -23.409 7.506 -17.330 4 1HA GLY 1 1HA GLY 1 -22.948 7.821 -15.173 5 2HA GLY 1 2HA GLY 1 -21.900 6.412 -15.121 6 H SER 2 H SER 2 -20.575 7.878 -13.780 7 HA SER 2 HA SER 2 -18.765 9.435 -15.496 8 1HB SER 2 2HB SER 2 -20.435 10.745 -13.906 9 2HB SER 2 1HB SER 2 -19.223 10.345 -12.688 10 HG SER 2 HG SER 2 -18.677 11.642 -15.154 11 H ALA 3 H ALA 3 -16.786 10.089 -13.881 12 HA ALA 3 HA ALA 3 -15.988 8.187 -11.964 13 1HB ALA 3 1HB ALA 3 -15.913 7.012 -14.368 14 2HB ALA 3 2HB ALA 3 -14.776 6.632 -13.075 15 3HB ALA 3 3HB ALA 3 -14.311 7.748 -14.358 16 H ALA 4 H ALA 4 -15.952 11.012 -12.314 17 HA ALA 4 HA ALA 4 -13.460 12.056 -13.041 18 1HB ALA 4 1HB ALA 4 -15.179 13.616 -12.804 19 2HB ALA 4 2HB ALA 4 -14.127 13.935 -11.425 20 3HB ALA 4 3HB ALA 4 -15.621 13.025 -11.202 21 H GLU 5 H GLU 5 -14.574 11.965 -9.670 22 HA GLU 5 HA GLU 5 -12.220 12.256 -8.397 23 1HB GLU 5 2HB GLU 5 -13.219 10.938 -6.508 24 2HB GLU 5 1HB GLU 5 -14.237 12.226 -7.134 25 1HG GLU 5 2HG GLU 5 -15.331 10.416 -8.570 26 2HG GLU 5 1HG GLU 5 -14.526 9.269 -7.501 27 H VAL 6 H VAL 6 -10.373 11.261 -8.975 28 HA VAL 6 HA VAL 6 -10.132 8.648 -9.950 29 HB VAL 6 HB VAL 6 -8.377 10.294 -10.282 30 1HG1 VAL 6 1HG1 VAL 6 -6.881 10.955 -8.463 31 2HG1 VAL 6 2HG1 VAL 6 -7.875 10.054 -7.318 32 3HG1 VAL 6 3HG1 VAL 6 -8.541 11.460 -8.150 33 1HG2 VAL 6 1HG2 VAL 6 -7.845 7.854 -10.294 34 2HG2 VAL 6 2HG2 VAL 6 -7.280 8.026 -8.632 35 3HG2 VAL 6 3HG2 VAL 6 -6.470 8.897 -9.934 36 H MET 7 H MET 7 -9.066 6.819 -8.947 37 HA MET 7 HA MET 7 -9.132 6.674 -6.047 38 1HB MET 7 2HB MET 7 -10.480 4.506 -6.214 39 2HB MET 7 1HB MET 7 -11.362 6.015 -6.399 40 1HG MET 7 2HG MET 7 -11.725 5.689 -8.642 41 2HG MET 7 1HG MET 7 -10.332 4.625 -8.823 42 1HE MET 7 1HE MET 7 -13.195 4.431 -9.972 43 2HE MET 7 2HE MET 7 -14.272 4.562 -8.581 44 3HE MET 7 3HE MET 7 -14.113 3.026 -9.432 45 H LYS 8 H LYS 8 -6.833 6.635 -6.947 46 HA LYS 8 HA LYS 8 -6.021 3.974 -7.841 47 1HB LYS 8 2HB LYS 8 -3.840 4.962 -8.258 48 2HB LYS 8 1HB LYS 8 -5.093 5.941 -9.006 49 1HG LYS 8 2HG LYS 8 -4.973 7.345 -6.848 50 2HG LYS 8 1HG LYS 8 -3.427 6.534 -6.594 51 1HD LYS 8 2HD LYS 8 -4.199 8.129 -9.037 52 2HD LYS 8 1HD LYS 8 -3.145 8.684 -7.736 53 1HE LYS 8 2HE LYS 8 -2.597 6.248 -9.421 54 2HE LYS 8 1HE LYS 8 -1.952 7.851 -9.774 55 1HZ LYS 8 1HZ LYS 8 -0.674 6.056 -8.298 56 2HZ LYS 8 2HZ LYS 8 -1.518 6.865 -7.076 57 3HZ LYS 8 3HZ LYS 8 -0.477 7.725 -8.095 58 H LYS 9 H LYS 9 -7.005 3.824 -5.355 59 HA LYS 9 HA LYS 9 -4.666 3.055 -3.823 60 1HB LYS 9 2HB LYS 9 -5.604 4.206 -1.761 61 2HB LYS 9 1HB LYS 9 -4.856 5.248 -2.963 62 1HG LYS 9 2HG LYS 9 -7.621 5.013 -3.581 63 2HG LYS 9 1HG LYS 9 -7.458 5.404 -1.869 64 1HD LYS 9 2HD LYS 9 -5.634 7.088 -2.985 65 2HD LYS 9 1HD LYS 9 -6.867 7.024 -4.246 66 1HE LYS 9 2HE LYS 9 -7.292 7.741 -1.347 67 2HE LYS 9 1HE LYS 9 -7.322 8.851 -2.717 68 1HZ LYS 9 1HZ LYS 9 -9.187 7.359 -3.579 69 2HZ LYS 9 2HZ LYS 9 -9.547 8.401 -2.296 70 3HZ LYS 9 3HZ LYS 9 -9.278 6.758 -2.000 71 H TYR 10 H TYR 10 -5.888 1.095 -4.685 72 HA TYR 10 HA TYR 10 -7.296 -0.095 -2.508 73 1HB TYR 10 2HB TYR 10 -9.156 1.153 -3.518 74 2HB TYR 10 1HB TYR 10 -8.828 0.394 -5.072 75 HD1 TYR 10 1HD TYR 10 -8.949 -2.211 -5.117 76 HD2 TYR 10 2HD TYR 10 -10.706 0.195 -2.081 77 HE1 TYR 10 1HE TYR 10 -10.463 -4.061 -4.536 78 HE2 TYR 10 2HE TYR 10 -12.224 -1.647 -1.491 79 HH TYR 10 HH TYR 10 -11.790 -4.822 -2.621 80 H CYS 11 H CYS 11 -6.389 -2.038 -2.446 81 HA CYS 11 HA CYS 11 -5.327 -3.253 -4.851 82 1HB CYS 11 2HB CYS 11 -4.214 -3.240 -2.524 83 2HB CYS 11 1HB CYS 11 -5.354 -4.518 -2.120 84 H SER 12 H SER 12 -6.653 -4.339 -6.141 85 HA SER 12 HA SER 12 -9.162 -5.371 -5.350 86 1HB SER 12 2HB SER 12 -8.906 -4.785 -7.639 87 2HB SER 12 1HB SER 12 -7.465 -5.787 -7.811 88 HG SER 12 HG SER 12 -10.008 -6.464 -8.211 89 H THR 13 H THR 13 -5.966 -6.790 -5.618 90 HA THR 13 HA THR 13 -6.781 -9.499 -5.391 91 HB THR 13 HB THR 13 -4.114 -8.331 -4.586 92 HG1 THR 13 1HG THR 13 -3.666 -8.090 -6.618 93 1HG2 THR 13 1HG2 THR 13 -3.708 -10.466 -4.083 94 2HG2 THR 13 2HG2 THR 13 -3.605 -10.682 -5.830 95 3HG2 THR 13 3HG2 THR 13 -5.107 -11.051 -4.983 96 H CYS 14 H CYS 14 -5.397 -7.235 -3.011 97 HA CYS 14 HA CYS 14 -5.801 -9.020 -0.821 98 1HB CYS 14 2HB CYS 14 -5.092 -6.091 -0.977 99 2HB CYS 14 1HB CYS 14 -5.196 -6.983 0.532 100 H ASP 15 H ASP 15 -7.649 -6.507 -2.352 101 HA ASP 15 HA ASP 15 -9.844 -5.920 -2.133 102 1HB ASP 15 2HB ASP 15 -9.941 -8.449 -1.279 103 2HB ASP 15 1HB ASP 15 -10.304 -7.650 0.248 104 H ILE 16 H ILE 16 -7.936 -4.340 -1.029 105 HA ILE 16 HA ILE 16 -9.346 -3.237 1.293 106 HB ILE 16 HB ILE 16 -6.345 -3.222 1.233 107 1HG1 ILE 16 2HG1 ILE 16 -7.091 -5.587 1.171 108 2HG1 ILE 16 1HG1 ILE 16 -6.303 -5.170 2.690 109 1HG2 ILE 16 1HG2 ILE 16 -6.884 -1.754 2.857 110 2HG2 ILE 16 2HG2 ILE 16 -7.064 -3.219 3.823 111 3HG2 ILE 16 3HG2 ILE 16 -8.484 -2.454 3.109 112 1HD1 ILE 16 1HD1 ILE 16 -8.129 -5.618 3.885 113 2HD1 ILE 16 2HD1 ILE 16 -8.681 -6.473 2.443 114 3HD1 ILE 16 3HD1 ILE 16 -9.196 -4.811 2.735 115 H SER 17 H SER 17 -8.716 -0.961 1.729 116 HA SER 17 HA SER 17 -7.717 0.432 -0.659 117 1HB SER 17 2HB SER 17 -10.369 0.361 -0.130 118 2HB SER 17 1HB SER 17 -9.906 1.770 0.823 119 HG SER 17 HG SER 17 -8.810 2.473 -1.184 120 H PHE 18 H PHE 18 -6.859 2.542 -0.259 121 HA PHE 18 HA PHE 18 -6.248 3.095 2.565 122 1HB PHE 18 2HB PHE 18 -4.254 3.476 0.332 123 2HB PHE 18 1HB PHE 18 -3.964 3.563 2.066 124 HD1 PHE 18 1HD PHE 18 -3.800 1.542 3.404 125 HD2 PHE 18 2HD PHE 18 -4.403 1.362 -0.805 126 HE1 PHE 18 1HE PHE 18 -3.170 -0.837 3.419 127 HE2 PHE 18 2HE PHE 18 -3.776 -1.017 -0.797 128 HZ PHE 18 HZ PHE 18 -3.157 -2.119 1.317 129 H ASN 19 H ASN 19 -6.639 5.122 3.181 130 HA ASN 19 HA ASN 19 -7.862 6.985 1.473 131 1HB ASN 19 2HB ASN 19 -6.631 7.273 4.214 132 2HB ASN 19 1HB ASN 19 -7.457 8.597 3.397 133 1HD2 ASN 19 1HD2 ASN 19 -9.617 7.582 2.318 134 2HD2 ASN 19 2HD2 ASN 19 -10.637 6.826 3.489 135 H TYR 20 H TYR 20 -4.529 6.473 2.361 136 HA TYR 20 HA TYR 20 -3.738 8.906 0.919 137 1HB TYR 20 2HB TYR 20 -1.944 7.138 2.580 138 2HB TYR 20 1HB TYR 20 -1.643 8.790 2.048 139 HD1 TYR 20 1HD TYR 20 -2.485 10.656 3.278 140 HD2 TYR 20 2HD TYR 20 -3.591 6.698 4.379 141 HE1 TYR 20 1HE TYR 20 -3.414 11.509 5.390 142 HE2 TYR 20 2HE TYR 20 -4.523 7.540 6.492 143 HH TYR 20 HH TYR 20 -5.383 9.618 7.428 144 H VAL 21 H VAL 21 -2.884 8.772 -1.048 145 HA VAL 21 HA VAL 21 -2.755 6.395 -2.505 146 HB VAL 21 HB VAL 21 -1.169 8.891 -3.116 147 1HG1 VAL 21 1HG1 VAL 21 -1.378 8.188 -5.425 148 2HG1 VAL 21 2HG1 VAL 21 -2.339 6.791 -4.938 149 3HG1 VAL 21 3HG1 VAL 21 -0.643 6.901 -4.469 150 1HG2 VAL 21 1HG2 VAL 21 -3.376 9.177 -4.608 151 2HG2 VAL 21 2HG2 VAL 21 -3.204 9.877 -2.998 152 3HG2 VAL 21 3HG2 VAL 21 -4.075 8.358 -3.212 153 H LYS 22 H LYS 22 -0.271 8.117 -0.695 154 HA LYS 22 HA LYS 22 1.996 6.782 -1.589 155 1HB LYS 22 2HB LYS 22 1.460 7.714 1.237 156 2HB LYS 22 1HB LYS 22 3.037 7.426 0.516 157 1HG LYS 22 2HG LYS 22 1.069 9.561 -0.276 158 2HG LYS 22 1HG LYS 22 2.585 9.791 0.597 159 1HD LYS 22 2HD LYS 22 2.357 8.673 -2.197 160 2HD LYS 22 1HD LYS 22 2.745 10.352 -1.813 161 1HE LYS 22 2HE LYS 22 4.638 9.302 -0.371 162 2HE LYS 22 1HE LYS 22 4.375 7.882 -1.381 163 1HZ LYS 22 1HZ LYS 22 6.065 9.789 -2.036 164 2HZ LYS 22 2HZ LYS 22 4.676 10.444 -2.743 165 3HZ LYS 22 3HZ LYS 22 5.212 8.906 -3.201 166 H THR 23 H THR 23 -0.493 5.768 0.634 167 HA THR 23 HA THR 23 0.857 3.567 1.781 168 HB THR 23 HB THR 23 -2.115 3.694 1.326 169 HG1 THR 23 1HG THR 23 -2.237 4.995 3.166 170 1HG2 THR 23 1HG2 THR 23 -2.200 2.728 3.594 171 2HG2 THR 23 2HG2 THR 23 -0.440 2.613 3.577 172 3HG2 THR 23 3HG2 THR 23 -1.395 1.686 2.419 173 H TYR 24 H TYR 24 -1.418 3.796 -0.944 174 HA TYR 24 HA TYR 24 -1.444 1.082 -1.622 175 1HB TYR 24 2HB TYR 24 -2.912 3.035 -2.494 176 2HB TYR 24 1HB TYR 24 -1.639 3.261 -3.687 177 HD1 TYR 24 1HD TYR 24 -3.086 0.124 -2.281 178 HD2 TYR 24 2HD TYR 24 -2.532 2.570 -5.716 179 HE1 TYR 24 1HE TYR 24 -4.096 -1.625 -3.683 180 HE2 TYR 24 2HE TYR 24 -3.540 0.828 -7.128 181 HH TYR 24 HH TYR 24 -5.010 -1.075 -6.937 182 H LEU 25 H LEU 25 0.793 3.652 -2.409 183 HA LEU 25 HA LEU 25 2.226 2.252 -4.418 184 1HB LEU 25 2HB LEU 25 2.605 4.715 -2.831 185 2HB LEU 25 1HB LEU 25 4.072 3.970 -3.438 186 HG LEU 25 HG LEU 25 1.743 4.674 -5.214 187 1HD1 LEU 25 1HD1 LEU 25 4.159 6.305 -4.466 188 2HD1 LEU 25 2HD1 LEU 25 2.459 6.739 -4.281 189 3HD1 LEU 25 3HD1 LEU 25 3.169 6.621 -5.891 190 1HD2 LEU 25 1HD2 LEU 25 3.634 2.966 -5.807 191 2HD2 LEU 25 2HD2 LEU 25 4.586 4.426 -6.073 192 3HD2 LEU 25 3HD2 LEU 25 3.104 4.161 -6.991 193 H ALA 26 H ALA 26 3.040 2.942 -1.034 194 HA ALA 26 HA ALA 26 5.278 1.276 -0.912 195 1HB ALA 26 1HB ALA 26 5.423 1.880 1.267 196 2HB ALA 26 2HB ALA 26 3.702 1.631 1.560 197 3HB ALA 26 3HB ALA 26 4.256 3.098 0.753 198 H HIS 27 H HIS 27 1.931 0.569 -0.906 199 HA HIS 27 HA HIS 27 2.037 -1.919 0.476 200 1HB HIS 27 2HB HIS 27 -0.062 -0.695 0.279 201 2HB HIS 27 1HB HIS 27 0.002 -0.819 -1.476 202 HD1 HIS 27 1HD HIS 27 -1.002 -2.703 1.566 203 HD2 HIS 27 2HD HIS 27 -0.560 -3.388 -2.508 204 HE1 HIS 27 1HE HIS 27 -2.191 -4.882 1.079 205 H LYS 28 H LYS 28 1.516 -1.221 -2.989 206 HA LYS 28 HA LYS 28 1.945 -3.874 -3.825 207 1HB LYS 28 2HB LYS 28 2.108 -1.246 -5.298 208 2HB LYS 28 1HB LYS 28 2.321 -2.798 -6.098 209 1HG LYS 28 2HG LYS 28 -0.004 -3.259 -4.846 210 2HG LYS 28 1HG LYS 28 -0.123 -1.513 -5.067 211 1HD LYS 28 2HD LYS 28 -0.315 -1.679 -7.314 212 2HD LYS 28 1HD LYS 28 0.797 -3.046 -7.412 213 1HE LYS 28 2HE LYS 28 -2.105 -3.099 -6.603 214 2HE LYS 28 1HE LYS 28 -1.387 -3.796 -8.055 215 1HZ LYS 28 1HZ LYS 28 -1.504 -5.633 -6.746 216 2HZ LYS 28 2HZ LYS 28 -1.333 -4.776 -5.299 217 3HZ LYS 28 3HZ LYS 28 0.021 -5.080 -6.264 218 H GLN 29 H GLN 29 4.134 -1.434 -2.854 219 HA GLN 29 HA GLN 29 6.400 -2.130 -4.362 220 1HB GLN 29 2HB GLN 29 5.912 -0.672 -1.811 221 2HB GLN 29 1HB GLN 29 7.554 -1.202 -2.150 222 1HG GLN 29 2HG GLN 29 7.602 0.055 -4.189 223 2HG GLN 29 1HG GLN 29 5.896 0.467 -4.024 224 1HE2 GLN 29 1HE2 GLN 29 6.317 2.669 -4.064 225 2HE2 GLN 29 2HE2 GLN 29 7.040 3.496 -2.731 226 H PHE 30 H PHE 30 5.819 -2.892 -0.918 227 HA PHE 30 HA PHE 30 6.782 -5.600 -1.344 228 1HB PHE 30 2HB PHE 30 8.281 -5.096 0.797 229 2HB PHE 30 1HB PHE 30 8.888 -4.901 -0.843 230 HD1 PHE 30 1HD PHE 30 6.724 -2.773 1.326 231 HD2 PHE 30 2HD PHE 30 10.329 -3.114 -0.911 232 HE1 PHE 30 1HE PHE 30 7.240 -0.416 1.808 233 HE2 PHE 30 2HE PHE 30 10.852 -0.757 -0.432 234 HZ PHE 30 HZ PHE 30 9.307 0.594 0.929 235 H TYR 31 H TYR 31 4.349 -4.051 -0.310 236 HA TYR 31 HA TYR 31 4.159 -5.342 2.328 237 1HB TYR 31 2HB TYR 31 3.579 -2.725 1.587 238 2HB TYR 31 1HB TYR 31 1.998 -3.495 1.694 239 HD1 TYR 31 1HD TYR 31 5.129 -2.882 3.595 240 HD2 TYR 31 2HD TYR 31 1.002 -3.896 3.783 241 HE1 TYR 31 1HE TYR 31 5.188 -2.640 6.041 242 HE2 TYR 31 2HE TYR 31 1.048 -3.656 6.230 243 HH TYR 31 HH TYR 31 3.043 -3.861 8.062 244 H CYS 32 H CYS 32 2.784 -5.169 -0.854 245 HA CYS 32 HA CYS 32 0.314 -6.418 -0.352 246 1HB CYS 32 2HB CYS 32 1.006 -5.207 -2.459 247 2HB CYS 32 1HB CYS 32 1.931 -6.640 -2.893 248 H LYS 33 H LYS 33 -0.338 -8.596 -0.877 249 HA LYS 33 HA LYS 33 1.711 -10.537 -0.107 250 1HB LYS 33 2HB LYS 33 -0.148 -12.039 0.388 251 2HB LYS 33 1HB LYS 33 -0.358 -10.499 1.209 252 1HG LYS 33 2HG LYS 33 -2.201 -9.956 0.018 253 2HG LYS 33 1HG LYS 33 -1.629 -10.765 -1.443 254 1HD LYS 33 2HD LYS 33 -2.473 -12.796 -0.813 255 2HD LYS 33 1HD LYS 33 -2.317 -12.447 0.909 256 1HE LYS 33 2HE LYS 33 -4.331 -11.387 1.018 257 2HE LYS 33 1HE LYS 33 -4.240 -10.812 -0.647 258 1HZ LYS 33 1HZ LYS 33 -4.920 -13.555 0.261 259 2HZ LYS 33 2HZ LYS 33 -4.660 -13.135 -1.357 260 3HZ LYS 33 3HZ LYS 33 -5.947 -12.447 -0.503 261 H ASN 34 H ASN 34 1.519 -9.396 -2.818 262 HA ASN 34 HA ASN 34 0.745 -11.762 -4.374 263 1HB ASN 34 2HB ASN 34 0.911 -8.854 -4.958 264 2HB ASN 34 1HB ASN 34 1.309 -9.952 -6.277 265 1HD2 ASN 34 1HD2 ASN 34 -0.380 -10.017 -7.572 266 2HD2 ASN 34 2HD2 ASN 34 -2.021 -10.256 -7.087 267 H LYS 35 H LYS 35 2.881 -12.487 -3.160 268 HA LYS 35 HA LYS 35 5.018 -13.227 -3.370 269 1HB LYS 35 2HB LYS 35 4.063 -12.867 -6.130 270 2HB LYS 35 1HB LYS 35 5.813 -12.877 -5.961 271 1HG LYS 35 2HG LYS 35 5.269 -15.019 -4.488 272 2HG LYS 35 1HG LYS 35 3.850 -15.050 -5.537 273 1HD LYS 35 2HD LYS 35 6.723 -14.966 -6.460 274 2HD LYS 35 1HD LYS 35 5.686 -16.394 -6.452 275 1HE LYS 35 2HE LYS 35 4.106 -15.088 -7.936 276 2HE LYS 35 1HE LYS 35 5.394 -13.896 -8.104 277 1HZ LYS 35 1HZ LYS 35 6.660 -15.302 -9.348 278 2HZ LYS 35 2HZ LYS 35 5.128 -15.858 -9.799 279 3HZ LYS 35 3HZ LYS 35 6.027 -16.704 -8.644 280 HA PRO 36 HA PRO 36 7.728 -9.778 -2.980 281 1HB PRO 36 2HB PRO 36 10.144 -10.830 -3.631 282 2HB PRO 36 1HB PRO 36 9.305 -11.216 -2.124 283 1HG PRO 36 2HG PRO 36 9.441 -12.784 -4.671 284 2HG PRO 36 1HG PRO 36 9.580 -13.354 -2.998 285 1HD PRO 36 2HD PRO 36 7.295 -13.587 -4.432 286 2HD PRO 36 1HD PRO 36 7.298 -13.346 -2.673 Start of MODEL 7 1 1H GLY 1 1HT GLY 1 5.318 0.801 -18.531 2 2H GLY 1 2HT GLY 1 6.327 2.147 -18.358 3 3H GLY 1 3HT GLY 1 6.424 1.192 -19.750 4 1HA GLY 1 1HA GLY 1 5.204 2.949 -20.532 5 2HA GLY 1 2HA GLY 1 3.953 1.809 -20.061 6 H SER 2 H SER 2 4.596 4.943 -20.038 7 HA SER 2 HA SER 2 4.119 5.750 -17.370 8 1HB SER 2 2HB SER 2 3.311 7.425 -19.729 9 2HB SER 2 1HB SER 2 4.020 7.932 -18.195 10 HG SER 2 HG SER 2 5.847 7.868 -19.213 11 H ALA 3 H ALA 3 2.064 7.522 -17.378 12 HA ALA 3 HA ALA 3 -0.175 7.699 -17.009 13 1HB ALA 3 1HB ALA 3 -1.582 7.150 -18.739 14 2HB ALA 3 2HB ALA 3 -0.760 5.625 -19.069 15 3HB ALA 3 3HB ALA 3 -0.024 7.148 -19.566 16 H ALA 4 H ALA 4 -0.248 6.826 -14.957 17 HA ALA 4 HA ALA 4 -0.454 3.967 -14.577 18 1HB ALA 4 1HB ALA 4 -0.403 6.329 -12.738 19 2HB ALA 4 2HB ALA 4 0.732 4.985 -12.858 20 3HB ALA 4 3HB ALA 4 -0.861 4.732 -12.147 21 H GLU 5 H GLU 5 -2.264 2.811 -14.173 22 HA GLU 5 HA GLU 5 -4.703 3.468 -15.101 23 1HB GLU 5 2HB GLU 5 -3.840 1.559 -12.971 24 2HB GLU 5 1HB GLU 5 -5.555 1.773 -13.291 25 1HG GLU 5 2HG GLU 5 -3.699 1.214 -15.554 26 2HG GLU 5 1HG GLU 5 -4.206 -0.100 -14.494 27 H VAL 6 H VAL 6 -6.793 3.777 -13.926 28 HA VAL 6 HA VAL 6 -6.571 6.075 -12.193 29 HB VAL 6 HB VAL 6 -9.094 4.664 -13.059 30 1HG1 VAL 6 1HG1 VAL 6 -9.850 6.107 -11.481 31 2HG1 VAL 6 2HG1 VAL 6 -9.775 7.235 -12.836 32 3HG1 VAL 6 3HG1 VAL 6 -8.470 7.192 -11.651 33 1HG2 VAL 6 1HG2 VAL 6 -9.189 6.417 -14.839 34 2HG2 VAL 6 2HG2 VAL 6 -7.906 5.227 -15.056 35 3HG2 VAL 6 3HG2 VAL 6 -7.523 6.834 -14.439 36 H MET 7 H MET 7 -7.556 6.262 -10.124 37 HA MET 7 HA MET 7 -7.972 5.606 -7.988 38 1HB MET 7 2HB MET 7 -9.105 3.203 -9.426 39 2HB MET 7 1HB MET 7 -9.276 3.479 -7.697 40 1HG MET 7 2HG MET 7 -10.127 5.643 -9.535 41 2HG MET 7 1HG MET 7 -11.132 4.198 -9.434 42 1HE MET 7 1HE MET 7 -10.729 7.742 -7.763 43 2HE MET 7 2HE MET 7 -12.400 7.447 -7.278 44 3HE MET 7 3HE MET 7 -11.884 7.092 -8.928 45 H LYS 8 H LYS 8 -5.558 5.509 -7.904 46 HA LYS 8 HA LYS 8 -4.484 2.801 -7.730 47 1HB LYS 8 2HB LYS 8 -2.988 5.401 -7.396 48 2HB LYS 8 1HB LYS 8 -2.305 3.807 -7.690 49 1HG LYS 8 2HG LYS 8 -2.717 3.885 -9.909 50 2HG LYS 8 1HG LYS 8 -4.208 4.809 -9.711 51 1HD LYS 8 2HD LYS 8 -2.513 6.153 -10.825 52 2HD LYS 8 1HD LYS 8 -2.885 6.822 -9.234 53 1HE LYS 8 2HE LYS 8 -0.850 5.169 -8.602 54 2HE LYS 8 1HE LYS 8 -0.400 5.601 -10.251 55 1HZ LYS 8 1HZ LYS 8 -0.802 7.986 -9.487 56 2HZ LYS 8 2HZ LYS 8 0.600 7.217 -8.937 57 3HZ LYS 8 3HZ LYS 8 -0.736 7.372 -7.911 58 H LYS 9 H LYS 9 -6.316 3.313 -5.772 59 HA LYS 9 HA LYS 9 -4.635 3.129 -3.396 60 1HB LYS 9 2HB LYS 9 -6.052 4.648 -2.110 61 2HB LYS 9 1HB LYS 9 -5.311 5.479 -3.471 62 1HG LYS 9 2HG LYS 9 -7.844 4.422 -4.271 63 2HG LYS 9 1HG LYS 9 -8.033 5.355 -2.785 64 1HD LYS 9 2HD LYS 9 -8.311 6.896 -4.552 65 2HD LYS 9 1HD LYS 9 -6.686 7.174 -3.922 66 1HE LYS 9 2HE LYS 9 -5.673 6.129 -5.749 67 2HE LYS 9 1HE LYS 9 -7.168 5.329 -6.231 68 1HZ LYS 9 1HZ LYS 9 -6.692 8.257 -6.369 69 2HZ LYS 9 2HZ LYS 9 -8.071 7.441 -6.910 70 3HZ LYS 9 3HZ LYS 9 -6.587 7.196 -7.683 71 H TYR 10 H TYR 10 -5.849 1.055 -4.732 72 HA TYR 10 HA TYR 10 -7.432 -0.092 -2.654 73 1HB TYR 10 2HB TYR 10 -9.093 1.326 -3.955 74 2HB TYR 10 1HB TYR 10 -8.830 0.233 -5.310 75 HD1 TYR 10 1HD TYR 10 -9.100 -2.344 -4.672 76 HD2 TYR 10 2HD TYR 10 -10.872 0.893 -2.556 77 HE1 TYR 10 1HE TYR 10 -10.802 -3.873 -3.773 78 HE2 TYR 10 2HE TYR 10 -12.579 -0.628 -1.649 79 HH TYR 10 HH TYR 10 -13.536 -3.155 -2.697 80 H CYS 11 H CYS 11 -6.307 -1.941 -2.565 81 HA CYS 11 HA CYS 11 -5.381 -3.244 -4.980 82 1HB CYS 11 2HB CYS 11 -4.110 -3.077 -2.737 83 2HB CYS 11 1HB CYS 11 -5.168 -4.378 -2.201 84 H SER 12 H SER 12 -7.023 -4.155 -6.095 85 HA SER 12 HA SER 12 -9.314 -5.338 -5.016 86 1HB SER 12 2HB SER 12 -7.929 -5.705 -7.674 87 2HB SER 12 1HB SER 12 -9.459 -6.490 -7.284 88 HG SER 12 HG SER 12 -10.463 -4.640 -7.477 89 H THR 13 H THR 13 -6.176 -6.723 -5.848 90 HA THR 13 HA THR 13 -6.838 -9.429 -5.544 91 HB THR 13 HB THR 13 -4.136 -8.432 -4.741 92 HG1 THR 13 1HG THR 13 -5.134 -8.401 -7.395 93 1HG2 THR 13 1HG2 THR 13 -5.120 -10.714 -6.425 94 2HG2 THR 13 2HG2 THR 13 -4.307 -10.789 -4.861 95 3HG2 THR 13 3HG2 THR 13 -3.423 -10.257 -6.292 96 H CYS 14 H CYS 14 -5.455 -7.134 -3.200 97 HA CYS 14 HA CYS 14 -5.576 -9.015 -1.044 98 1HB CYS 14 2HB CYS 14 -4.964 -6.071 -1.220 99 2HB CYS 14 1HB CYS 14 -5.029 -6.924 0.314 100 H ASP 15 H ASP 15 -7.691 -6.633 -2.400 101 HA ASP 15 HA ASP 15 -9.893 -6.191 -1.998 102 1HB ASP 15 2HB ASP 15 -9.857 -8.679 -1.214 103 2HB ASP 15 1HB ASP 15 -9.904 -7.990 0.406 104 H ILE 16 H ILE 16 -7.887 -4.553 -1.007 105 HA ILE 16 HA ILE 16 -9.243 -3.406 1.326 106 HB ILE 16 HB ILE 16 -6.242 -3.404 1.206 107 1HG1 ILE 16 2HG1 ILE 16 -7.012 -5.768 1.210 108 2HG1 ILE 16 1HG1 ILE 16 -6.171 -5.322 2.692 109 1HG2 ILE 16 1HG2 ILE 16 -8.344 -2.669 3.167 110 2HG2 ILE 16 2HG2 ILE 16 -6.830 -1.856 2.768 111 3HG2 ILE 16 3HG2 ILE 16 -6.816 -3.296 3.787 112 1HD1 ILE 16 1HD1 ILE 16 -7.934 -5.825 3.938 113 2HD1 ILE 16 2HD1 ILE 16 -8.627 -6.563 2.493 114 3HD1 ILE 16 3HD1 ILE 16 -9.022 -4.895 2.906 115 H SER 17 H SER 17 -8.597 -1.125 1.704 116 HA SER 17 HA SER 17 -7.607 0.220 -0.710 117 1HB SER 17 2HB SER 17 -10.215 0.140 -0.426 118 2HB SER 17 1HB SER 17 -9.931 1.398 0.776 119 HG SER 17 HG SER 17 -9.930 2.672 -0.895 120 H PHE 18 H PHE 18 -6.941 2.458 -0.322 121 HA PHE 18 HA PHE 18 -6.297 3.022 2.490 122 1HB PHE 18 2HB PHE 18 -4.341 3.481 0.239 123 2HB PHE 18 1HB PHE 18 -4.041 3.596 1.970 124 HD1 PHE 18 1HD PHE 18 -4.381 1.404 3.326 125 HD2 PHE 18 2HD PHE 18 -3.792 1.546 -0.886 126 HE1 PHE 18 1HE PHE 18 -3.641 -0.942 3.354 127 HE2 PHE 18 2HE PHE 18 -3.053 -0.800 -0.866 128 HZ PHE 18 HZ PHE 18 -2.975 -2.048 1.256 129 H ASN 19 H ASN 19 -6.593 5.082 3.109 130 HA ASN 19 HA ASN 19 -7.961 6.880 1.395 131 1HB ASN 19 2HB ASN 19 -7.644 8.498 3.319 132 2HB ASN 19 1HB ASN 19 -8.458 6.990 3.721 133 1HD2 ASN 19 1HD2 ASN 19 -6.540 9.071 5.049 134 2HD2 ASN 19 2HD2 ASN 19 -5.462 8.058 5.941 135 H TYR 20 H TYR 20 -4.618 6.422 2.212 136 HA TYR 20 HA TYR 20 -3.909 8.889 0.771 137 1HB TYR 20 2HB TYR 20 -2.231 7.231 2.666 138 2HB TYR 20 1HB TYR 20 -1.716 8.716 1.873 139 HD1 TYR 20 1HD TYR 20 -4.139 10.391 2.191 140 HD2 TYR 20 2HD TYR 20 -2.216 7.771 4.938 141 HE1 TYR 20 1HE TYR 20 -5.037 11.704 4.066 142 HE2 TYR 20 2HE TYR 20 -3.111 9.077 6.819 143 HH TYR 20 HH TYR 20 -4.210 12.067 6.624 144 H VAL 21 H VAL 21 -2.900 8.768 -1.134 145 HA VAL 21 HA VAL 21 -2.694 6.368 -2.556 146 HB VAL 21 HB VAL 21 -1.149 8.901 -3.127 147 1HG1 VAL 21 1HG1 VAL 21 -0.350 7.123 -4.486 148 2HG1 VAL 21 2HG1 VAL 21 -1.415 8.100 -5.496 149 3HG1 VAL 21 3HG1 VAL 21 -1.988 6.568 -4.836 150 1HG2 VAL 21 1HG2 VAL 21 -3.870 8.737 -2.871 151 2HG2 VAL 21 2HG2 VAL 21 -3.637 8.457 -4.596 152 3HG2 VAL 21 3HG2 VAL 21 -3.006 9.925 -3.847 153 H LYS 22 H LYS 22 -0.343 8.120 -0.618 154 HA LYS 22 HA LYS 22 2.000 6.850 -1.408 155 1HB LYS 22 2HB LYS 22 1.293 7.716 1.401 156 2HB LYS 22 1HB LYS 22 2.913 7.486 0.756 157 1HG LYS 22 2HG LYS 22 2.917 9.471 -0.317 158 2HG LYS 22 1HG LYS 22 1.196 9.395 -0.695 159 1HD LYS 22 2HD LYS 22 1.639 11.199 0.871 160 2HD LYS 22 1HD LYS 22 0.673 9.939 1.644 161 1HE LYS 22 2HE LYS 22 2.197 10.130 3.290 162 2HE LYS 22 1HE LYS 22 3.168 9.092 2.246 163 1HZ LYS 22 1HZ LYS 22 3.288 12.018 1.940 164 2HZ LYS 22 2HZ LYS 22 4.450 10.856 1.544 165 3HZ LYS 22 3HZ LYS 22 4.179 11.261 3.163 166 H THR 23 H THR 23 -0.551 5.773 0.727 167 HA THR 23 HA THR 23 0.769 3.573 1.887 168 HB THR 23 HB THR 23 -2.176 3.693 1.274 169 HG1 THR 23 1HG THR 23 -0.869 4.891 3.484 170 1HG2 THR 23 1HG2 THR 23 -2.417 2.583 3.434 171 2HG2 THR 23 2HG2 THR 23 -0.662 2.534 3.600 172 3HG2 THR 23 3HG2 THR 23 -1.451 1.628 2.309 173 H TYR 24 H TYR 24 -1.386 3.790 -0.933 174 HA TYR 24 HA TYR 24 -1.327 1.091 -1.657 175 1HB TYR 24 2HB TYR 24 -2.838 2.924 -2.569 176 2HB TYR 24 1HB TYR 24 -1.497 3.390 -3.607 177 HD1 TYR 24 1HD TYR 24 -3.684 0.500 -2.755 178 HD2 TYR 24 2HD TYR 24 -1.181 2.337 -5.664 179 HE1 TYR 24 1HE TYR 24 -4.382 -1.180 -4.409 180 HE2 TYR 24 2HE TYR 24 -1.872 0.662 -7.326 181 HH TYR 24 HH TYR 24 -3.750 -0.866 -7.730 182 H LEU 25 H LEU 25 0.848 3.740 -2.386 183 HA LEU 25 HA LEU 25 2.410 2.418 -4.328 184 1HB LEU 25 2HB LEU 25 2.707 4.819 -2.622 185 2HB LEU 25 1HB LEU 25 4.190 4.125 -3.250 186 HG LEU 25 HG LEU 25 3.264 5.961 -4.649 187 1HD1 LEU 25 1HD1 LEU 25 4.581 3.810 -5.441 188 2HD1 LEU 25 2HD1 LEU 25 3.987 5.011 -6.588 189 3HD1 LEU 25 3HD1 LEU 25 3.084 3.519 -6.326 190 1HD2 LEU 25 1HD2 LEU 25 0.845 4.871 -4.187 191 2HD2 LEU 25 2HD2 LEU 25 1.195 4.193 -5.777 192 3HD2 LEU 25 3HD2 LEU 25 1.195 5.942 -5.544 193 H ALA 26 H ALA 26 3.134 3.035 -0.906 194 HA ALA 26 HA ALA 26 5.371 1.372 -0.767 195 1HB ALA 26 1HB ALA 26 3.548 2.596 1.235 196 2HB ALA 26 2HB ALA 26 5.285 2.806 1.015 197 3HB ALA 26 3HB ALA 26 4.662 1.338 1.769 198 H HIS 27 H HIS 27 2.027 0.651 -0.844 199 HA HIS 27 HA HIS 27 2.112 -1.869 0.478 200 1HB HIS 27 2HB HIS 27 0.016 -0.644 0.256 201 2HB HIS 27 1HB HIS 27 0.122 -0.733 -1.499 202 HD1 HIS 27 1HD HIS 27 -0.929 -2.693 1.483 203 HD2 HIS 27 2HD HIS 27 -0.431 -3.266 -2.602 204 HE1 HIS 27 1HE HIS 27 -2.110 -4.857 0.921 205 H LYS 28 H LYS 28 1.697 -1.082 -2.982 206 HA LYS 28 HA LYS 28 2.152 -3.714 -3.873 207 1HB LYS 28 2HB LYS 28 1.925 -1.044 -5.110 208 2HB LYS 28 1HB LYS 28 2.854 -2.218 -6.032 209 1HG LYS 28 2HG LYS 28 0.742 -2.540 -6.864 210 2HG LYS 28 1HG LYS 28 0.812 -3.770 -5.600 211 1HD LYS 28 2HD LYS 28 -0.175 -1.858 -4.107 212 2HD LYS 28 1HD LYS 28 -0.680 -1.184 -5.657 213 1HE LYS 28 2HE LYS 28 -1.329 -3.951 -4.648 214 2HE LYS 28 1HE LYS 28 -2.429 -2.574 -4.637 215 1HZ LYS 28 1HZ LYS 28 -1.317 -3.978 -6.999 216 2HZ LYS 28 2HZ LYS 28 -2.125 -2.496 -7.104 217 3HZ LYS 28 3HZ LYS 28 -2.940 -3.863 -6.534 218 H GLN 29 H GLN 29 4.300 -1.285 -2.783 219 HA GLN 29 HA GLN 29 6.615 -1.931 -4.233 220 1HB GLN 29 2HB GLN 29 6.037 -0.548 -1.660 221 2HB GLN 29 1HB GLN 29 7.692 -1.065 -1.955 222 1HG GLN 29 2HG GLN 29 6.046 0.781 -3.667 223 2HG GLN 29 1HG GLN 29 7.421 1.216 -2.652 224 1HE2 GLN 29 1HE2 GLN 29 6.461 0.509 -5.732 225 2HE2 GLN 29 2HE2 GLN 29 7.994 0.116 -6.423 226 H PHE 30 H PHE 30 5.942 -2.793 -0.829 227 HA PHE 30 HA PHE 30 6.947 -5.479 -1.312 228 1HB PHE 30 2HB PHE 30 8.347 -5.034 0.908 229 2HB PHE 30 1HB PHE 30 9.019 -4.774 -0.695 230 HD1 PHE 30 1HD PHE 30 7.189 -2.978 2.004 231 HD2 PHE 30 2HD PHE 30 9.987 -2.739 -1.193 232 HE1 PHE 30 1HE PHE 30 7.654 -0.634 2.591 233 HE2 PHE 30 2HE PHE 30 10.458 -0.396 -0.612 234 HZ PHE 30 HZ PHE 30 9.291 0.661 1.283 235 H TYR 31 H TYR 31 4.462 -3.965 -0.305 236 HA TYR 31 HA TYR 31 4.172 -5.369 2.263 237 1HB TYR 31 2HB TYR 31 3.600 -2.733 1.606 238 2HB TYR 31 1HB TYR 31 2.024 -3.516 1.598 239 HD1 TYR 31 1HD TYR 31 5.064 -3.930 3.738 240 HD2 TYR 31 2HD TYR 31 0.906 -3.045 3.560 241 HE1 TYR 31 1HE TYR 31 4.993 -3.795 6.193 242 HE2 TYR 31 2HE TYR 31 0.824 -2.907 6.013 243 HH TYR 31 HH TYR 31 3.635 -2.799 7.944 244 H CYS 32 H CYS 32 2.998 -5.165 -0.978 245 HA CYS 32 HA CYS 32 0.537 -6.549 -0.536 246 1HB CYS 32 2HB CYS 32 1.037 -5.015 -2.479 247 2HB CYS 32 1HB CYS 32 2.050 -6.295 -3.137 248 H LYS 33 H LYS 33 0.357 -8.626 -0.048 249 HA LYS 33 HA LYS 33 2.543 -10.453 -0.721 250 1HB LYS 33 2HB LYS 33 1.359 -12.011 0.855 251 2HB LYS 33 1HB LYS 33 1.947 -10.525 1.590 252 1HG LYS 33 2HG LYS 33 -0.824 -10.460 0.590 253 2HG LYS 33 1HG LYS 33 -0.517 -11.508 1.976 254 1HD LYS 33 2HD LYS 33 0.822 -9.285 2.730 255 2HD LYS 33 1HD LYS 33 -0.474 -8.568 1.771 256 1HE LYS 33 2HE LYS 33 -1.996 -10.173 3.157 257 2HE LYS 33 1HE LYS 33 -0.635 -10.184 4.279 258 1HZ LYS 33 1HZ LYS 33 -1.004 -8.063 4.888 259 2HZ LYS 33 2HZ LYS 33 -2.580 -8.383 4.364 260 3HZ LYS 33 3HZ LYS 33 -1.501 -7.571 3.346 261 H ASN 34 H ASN 34 0.777 -9.565 -2.790 262 HA ASN 34 HA ASN 34 -0.393 -12.155 -3.542 263 1HB ASN 34 2HB ASN 34 -1.690 -9.479 -3.486 264 2HB ASN 34 1HB ASN 34 -2.063 -10.526 -4.854 265 1HD2 ASN 34 1HD2 ASN 34 -2.349 -10.064 -1.433 266 2HD2 ASN 34 2HD2 ASN 34 -3.514 -11.308 -1.153 267 H LYS 35 H LYS 35 1.581 -12.485 -4.706 268 HA LYS 35 HA LYS 35 1.646 -11.005 -7.251 269 1HB LYS 35 2HB LYS 35 4.161 -11.464 -7.206 270 2HB LYS 35 1HB LYS 35 3.557 -10.204 -6.139 271 1HG LYS 35 2HG LYS 35 4.065 -11.354 -4.263 272 2HG LYS 35 1HG LYS 35 3.728 -12.922 -4.999 273 1HD LYS 35 2HD LYS 35 6.040 -11.481 -6.111 274 2HD LYS 35 1HD LYS 35 6.213 -12.001 -4.434 275 1HE LYS 35 2HE LYS 35 5.310 -13.840 -6.637 276 2HE LYS 35 1HE LYS 35 7.004 -13.633 -6.197 277 1HZ LYS 35 1HZ LYS 35 5.176 -14.218 -4.014 278 2HZ LYS 35 2HZ LYS 35 6.742 -14.789 -4.298 279 3HZ LYS 35 3HZ LYS 35 5.432 -15.474 -5.118 280 HA PRO 36 HA PRO 36 1.461 -14.939 -9.228 281 1HB PRO 36 2HB PRO 36 2.890 -14.491 -11.491 282 2HB PRO 36 1HB PRO 36 1.279 -13.815 -11.224 283 1HG PRO 36 2HG PRO 36 3.957 -12.519 -10.885 284 2HG PRO 36 1HG PRO 36 2.481 -11.862 -11.618 285 1HD PRO 36 2HD PRO 36 3.250 -11.253 -9.094 286 2HD PRO 36 1HD PRO 36 1.544 -11.351 -9.575 Start of MODEL 8 1 1H GLY 1 1HT GLY 1 -11.598 2.879 -27.702 2 2H GLY 1 2HT GLY 1 -9.950 2.938 -27.331 3 3H GLY 1 3HT GLY 1 -10.980 4.166 -26.794 4 1HA GLY 1 1HA GLY 1 -12.049 2.771 -25.251 5 2HA GLY 1 2HA GLY 1 -11.320 1.344 -25.971 6 H SER 2 H SER 2 -9.477 4.258 -25.478 7 HA SER 2 HA SER 2 -7.449 2.945 -24.045 8 1HB SER 2 2HB SER 2 -7.552 5.287 -25.341 9 2HB SER 2 1HB SER 2 -7.763 5.884 -23.694 10 HG SER 2 HG SER 2 -5.688 4.099 -24.415 11 H ALA 3 H ALA 3 -6.729 4.354 -21.886 12 HA ALA 3 HA ALA 3 -8.755 4.966 -20.032 13 1HB ALA 3 1HB ALA 3 -9.477 2.849 -19.682 14 2HB ALA 3 2HB ALA 3 -8.088 2.807 -18.595 15 3HB ALA 3 3HB ALA 3 -7.961 2.125 -20.217 16 H ALA 4 H ALA 4 -7.430 6.636 -19.433 17 HA ALA 4 HA ALA 4 -4.686 6.481 -18.918 18 1HB ALA 4 1HB ALA 4 -5.865 8.594 -19.266 19 2HB ALA 4 2HB ALA 4 -4.950 8.612 -17.759 20 3HB ALA 4 3HB ALA 4 -6.699 8.386 -17.726 21 H GLU 5 H GLU 5 -3.509 6.393 -16.970 22 HA GLU 5 HA GLU 5 -4.050 4.405 -15.225 23 1HB GLU 5 2HB GLU 5 -2.486 6.926 -14.675 24 2HB GLU 5 1HB GLU 5 -2.426 5.481 -13.676 25 1HG GLU 5 2HG GLU 5 -1.776 4.303 -15.905 26 2HG GLU 5 1HG GLU 5 -1.350 5.934 -16.419 27 H VAL 6 H VAL 6 -6.116 4.311 -14.398 28 HA VAL 6 HA VAL 6 -6.817 6.413 -12.453 29 HB VAL 6 HB VAL 6 -8.737 4.765 -14.104 30 1HG1 VAL 6 1HG1 VAL 6 -9.129 6.819 -11.953 31 2HG1 VAL 6 2HG1 VAL 6 -9.840 5.211 -12.093 32 3HG1 VAL 6 3HG1 VAL 6 -10.372 6.507 -13.165 33 1HG2 VAL 6 1HG2 VAL 6 -8.704 6.349 -15.667 34 2HG2 VAL 6 2HG2 VAL 6 -7.288 7.022 -14.863 35 3HG2 VAL 6 3HG2 VAL 6 -8.897 7.624 -14.467 36 H MET 7 H MET 7 -8.087 5.692 -10.617 37 HA MET 7 HA MET 7 -8.454 4.340 -8.822 38 1HB MET 7 2HB MET 7 -8.605 2.318 -11.052 39 2HB MET 7 1HB MET 7 -8.874 1.880 -9.370 40 1HG MET 7 2HG MET 7 -10.420 4.158 -10.464 41 2HG MET 7 1HG MET 7 -10.850 2.535 -10.999 42 1HE MET 7 1HE MET 7 -12.644 0.994 -9.346 43 2HE MET 7 2HE MET 7 -11.798 0.687 -7.830 44 3HE MET 7 3HE MET 7 -10.924 0.605 -9.360 45 H LYS 8 H LYS 8 -6.427 4.753 -7.905 46 HA LYS 8 HA LYS 8 -4.625 2.442 -7.972 47 1HB LYS 8 2HB LYS 8 -3.859 5.341 -8.270 48 2HB LYS 8 1HB LYS 8 -2.711 4.127 -7.723 49 1HG LYS 8 2HG LYS 8 -3.392 2.864 -9.878 50 2HG LYS 8 1HG LYS 8 -3.999 4.437 -10.399 51 1HD LYS 8 2HD LYS 8 -1.243 4.258 -9.279 52 2HD LYS 8 1HD LYS 8 -1.530 3.690 -10.925 53 1HE LYS 8 2HE LYS 8 -0.818 6.041 -10.864 54 2HE LYS 8 1HE LYS 8 -2.433 5.850 -11.545 55 1HZ LYS 8 1HZ LYS 8 -2.117 6.429 -8.677 56 2HZ LYS 8 2HZ LYS 8 -3.415 6.782 -9.703 57 3HZ LYS 8 3HZ LYS 8 -1.988 7.686 -9.803 58 H LYS 9 H LYS 9 -6.565 2.805 -6.109 59 HA LYS 9 HA LYS 9 -4.984 3.033 -3.695 60 1HB LYS 9 2HB LYS 9 -7.339 4.845 -4.230 61 2HB LYS 9 1HB LYS 9 -6.685 4.559 -2.624 62 1HG LYS 9 2HG LYS 9 -5.553 6.453 -3.131 63 2HG LYS 9 1HG LYS 9 -4.434 5.280 -3.828 64 1HD LYS 9 2HD LYS 9 -4.620 6.572 -5.665 65 2HD LYS 9 1HD LYS 9 -6.114 5.666 -5.913 66 1HE LYS 9 2HE LYS 9 -6.650 7.966 -6.163 67 2HE LYS 9 1HE LYS 9 -7.296 7.452 -4.605 68 1HZ LYS 9 1HZ LYS 9 -5.176 8.359 -3.625 69 2HZ LYS 9 2HZ LYS 9 -6.255 9.509 -4.238 70 3HZ LYS 9 3HZ LYS 9 -4.880 9.083 -5.126 71 H TYR 10 H TYR 10 -6.145 0.828 -4.918 72 HA TYR 10 HA TYR 10 -7.689 -0.220 -2.759 73 1HB TYR 10 2HB TYR 10 -9.419 1.049 -4.064 74 2HB TYR 10 1HB TYR 10 -9.094 -0.016 -5.428 75 HD1 TYR 10 1HD TYR 10 -9.292 -2.596 -4.881 76 HD2 TYR 10 2HD TYR 10 -11.137 0.500 -2.620 77 HE1 TYR 10 1HE TYR 10 -10.927 -4.213 -4.011 78 HE2 TYR 10 2HE TYR 10 -12.774 -1.109 -1.742 79 HH TYR 10 HH TYR 10 -13.740 -3.441 -2.660 80 H CYS 11 H CYS 11 -6.534 -2.042 -2.558 81 HA CYS 11 HA CYS 11 -5.680 -3.500 -4.931 82 1HB CYS 11 2HB CYS 11 -4.278 -3.047 -2.770 83 2HB CYS 11 1HB CYS 11 -5.163 -4.424 -2.124 84 H SER 12 H SER 12 -7.556 -4.387 -5.739 85 HA SER 12 HA SER 12 -9.579 -5.644 -4.306 86 1HB SER 12 2HB SER 12 -9.440 -5.001 -6.824 87 2HB SER 12 1HB SER 12 -8.768 -6.619 -7.029 88 HG SER 12 HG SER 12 -10.695 -7.372 -5.905 89 H THR 13 H THR 13 -6.589 -6.990 -5.638 90 HA THR 13 HA THR 13 -7.087 -9.688 -5.145 91 HB THR 13 HB THR 13 -4.307 -8.932 -4.663 92 HG1 THR 13 1HG THR 13 -3.961 -7.717 -6.378 93 1HG2 THR 13 1HG2 THR 13 -5.780 -10.619 -6.637 94 2HG2 THR 13 2HG2 THR 13 -4.573 -11.089 -5.441 95 3HG2 THR 13 3HG2 THR 13 -4.084 -10.207 -6.888 96 H CYS 14 H CYS 14 -5.748 -7.193 -3.028 97 HA CYS 14 HA CYS 14 -5.418 -9.061 -0.842 98 1HB CYS 14 2HB CYS 14 -4.897 -6.120 -1.198 99 2HB CYS 14 1HB CYS 14 -4.792 -6.889 0.377 100 H ASP 15 H ASP 15 -7.771 -6.807 -1.996 101 HA ASP 15 HA ASP 15 -9.920 -6.424 -1.332 102 1HB ASP 15 2HB ASP 15 -9.649 -8.867 -0.409 103 2HB ASP 15 1HB ASP 15 -9.576 -8.062 1.155 104 H ILE 16 H ILE 16 -8.055 -4.561 -0.795 105 HA ILE 16 HA ILE 16 -9.120 -3.323 1.610 106 HB ILE 16 HB ILE 16 -6.135 -3.342 1.289 107 1HG1 ILE 16 2HG1 ILE 16 -7.760 -5.277 2.957 108 2HG1 ILE 16 1HG1 ILE 16 -6.856 -5.694 1.504 109 1HG2 ILE 16 1HG2 ILE 16 -6.742 -1.652 2.741 110 2HG2 ILE 16 2HG2 ILE 16 -6.428 -2.994 3.843 111 3HG2 ILE 16 3HG2 ILE 16 -8.086 -2.573 3.416 112 1HD1 ILE 16 1HD1 ILE 16 -4.968 -5.906 2.644 113 2HD1 ILE 16 2HD1 ILE 16 -5.948 -5.806 4.108 114 3HD1 ILE 16 3HD1 ILE 16 -5.194 -4.353 3.450 115 H SER 17 H SER 17 -8.451 -1.023 1.783 116 HA SER 17 HA SER 17 -7.558 0.156 -0.743 117 1HB SER 17 2HB SER 17 -9.540 1.908 -0.002 118 2HB SER 17 1HB SER 17 -9.701 0.671 -1.248 119 HG SER 17 HG SER 17 -10.740 0.757 1.324 120 H PHE 18 H PHE 18 -6.773 2.320 -0.551 121 HA PHE 18 HA PHE 18 -6.347 3.278 2.188 122 1HB PHE 18 2HB PHE 18 -4.094 3.317 0.195 123 2HB PHE 18 1HB PHE 18 -4.022 3.515 1.943 124 HD1 PHE 18 1HD PHE 18 -4.379 1.529 3.413 125 HD2 PHE 18 2HD PHE 18 -3.929 1.194 -0.806 126 HE1 PHE 18 1HE PHE 18 -3.861 -0.864 3.662 127 HE2 PHE 18 2HE PHE 18 -3.411 -1.200 -0.565 128 HZ PHE 18 HZ PHE 18 -3.377 -2.231 1.672 129 H ASN 19 H ASN 19 -7.104 5.278 2.295 130 HA ASN 19 HA ASN 19 -7.814 6.852 0.100 131 1HB ASN 19 2HB ASN 19 -8.339 6.982 2.739 132 2HB ASN 19 1HB ASN 19 -7.133 8.261 2.620 133 1HD2 ASN 19 1HD2 ASN 19 -7.600 9.454 0.302 134 2HD2 ASN 19 2HD2 ASN 19 -9.198 10.108 0.236 135 H TYR 20 H TYR 20 -4.858 6.760 2.008 136 HA TYR 20 HA TYR 20 -3.718 9.028 0.613 137 1HB TYR 20 2HB TYR 20 -2.277 7.135 2.469 138 2HB TYR 20 1HB TYR 20 -1.845 8.794 2.066 139 HD1 TYR 20 1HD TYR 20 -3.219 10.673 2.959 140 HD2 TYR 20 2HD TYR 20 -3.817 6.652 4.215 141 HE1 TYR 20 1HE TYR 20 -4.458 11.478 4.925 142 HE2 TYR 20 2HE TYR 20 -5.060 7.446 6.184 143 HH TYR 20 HH TYR 20 -5.302 9.419 7.536 144 H VAL 21 H VAL 21 -2.602 8.923 -1.214 145 HA VAL 21 HA VAL 21 -2.278 6.578 -2.697 146 HB VAL 21 HB VAL 21 -0.626 9.089 -2.994 147 1HG1 VAL 21 1HG1 VAL 21 0.069 8.311 -4.991 148 2HG1 VAL 21 2HG1 VAL 21 -1.474 7.534 -5.343 149 3HG1 VAL 21 3HG1 VAL 21 -0.307 6.738 -4.286 150 1HG2 VAL 21 1HG2 VAL 21 -2.940 8.787 -4.745 151 2HG2 VAL 21 2HG2 VAL 21 -2.376 10.194 -3.845 152 3HG2 VAL 21 3HG2 VAL 21 -3.369 8.976 -3.044 153 H LYS 22 H LYS 22 -0.061 8.257 -0.525 154 HA LYS 22 HA LYS 22 2.290 6.891 -1.097 155 1HB LYS 22 2HB LYS 22 2.831 7.350 1.370 156 2HB LYS 22 1HB LYS 22 2.497 8.734 0.339 157 1HG LYS 22 2HG LYS 22 0.076 7.749 1.556 158 2HG LYS 22 1HG LYS 22 1.300 8.116 2.773 159 1HD LYS 22 2HD LYS 22 0.606 10.031 0.562 160 2HD LYS 22 1HD LYS 22 -0.261 10.010 2.098 161 1HE LYS 22 2HE LYS 22 2.214 10.096 3.055 162 2HE LYS 22 1HE LYS 22 2.521 10.850 1.491 163 1HZ LYS 22 1HZ LYS 22 0.535 12.324 2.095 164 2HZ LYS 22 2HZ LYS 22 2.009 12.623 2.868 165 3HZ LYS 22 3HZ LYS 22 0.783 11.789 3.681 166 H THR 23 H THR 23 -0.495 5.913 0.765 167 HA THR 23 HA THR 23 0.658 3.683 2.062 168 HB THR 23 HB THR 23 -2.230 4.012 1.247 169 HG1 THR 23 1HG THR 23 -0.802 5.097 3.433 170 1HG2 THR 23 1HG2 THR 23 -1.825 1.834 2.154 171 2HG2 THR 23 2HG2 THR 23 -2.679 2.805 3.353 172 3HG2 THR 23 3HG2 THR 23 -0.946 2.520 3.520 173 H TYR 24 H TYR 24 -1.242 3.976 -0.929 174 HA TYR 24 HA TYR 24 -1.211 1.251 -1.609 175 1HB TYR 24 2HB TYR 24 -2.569 3.247 -2.614 176 2HB TYR 24 1HB TYR 24 -1.194 3.403 -3.702 177 HD1 TYR 24 1HD TYR 24 -2.925 0.388 -2.335 178 HD2 TYR 24 2HD TYR 24 -1.858 2.640 -5.784 179 HE1 TYR 24 1HE TYR 24 -3.867 -1.373 -3.770 180 HE2 TYR 24 2HE TYR 24 -2.797 0.884 -7.227 181 HH TYR 24 HH TYR 24 -4.786 -1.068 -6.695 182 H LEU 25 H LEU 25 1.099 3.824 -2.101 183 HA LEU 25 HA LEU 25 2.727 2.495 -3.998 184 1HB LEU 25 2HB LEU 25 3.041 4.832 -2.184 185 2HB LEU 25 1HB LEU 25 4.498 4.119 -2.850 186 HG LEU 25 HG LEU 25 2.290 4.797 -4.732 187 1HD1 LEU 25 1HD1 LEU 25 4.237 6.873 -3.760 188 2HD1 LEU 25 2HD1 LEU 25 2.583 6.744 -3.162 189 3HD1 LEU 25 3HD1 LEU 25 2.880 7.083 -4.867 190 1HD2 LEU 25 1HD2 LEU 25 5.161 5.398 -5.180 191 2HD2 LEU 25 2HD2 LEU 25 3.937 4.804 -6.303 192 3HD2 LEU 25 3HD2 LEU 25 4.672 3.704 -5.137 193 H ALA 26 H ALA 26 3.221 3.027 -0.522 194 HA ALA 26 HA ALA 26 5.407 1.313 -0.257 195 1HB ALA 26 1HB ALA 26 5.188 1.576 2.063 196 2HB ALA 26 2HB ALA 26 3.447 1.837 1.952 197 3HB ALA 26 3HB ALA 26 4.564 3.077 1.380 198 H HIS 27 H HIS 27 2.065 0.660 -0.596 199 HA HIS 27 HA HIS 27 2.020 -1.892 0.674 200 1HB HIS 27 2HB HIS 27 -0.034 -0.604 0.350 201 2HB HIS 27 1HB HIS 27 0.169 -0.686 -1.397 202 HD1 HIS 27 1HD HIS 27 -1.111 -2.623 1.504 203 HD2 HIS 27 2HD HIS 27 -0.346 -3.220 -2.536 204 HE1 HIS 27 1HE HIS 27 -2.291 -4.768 0.868 205 H LYS 28 H LYS 28 1.827 -1.007 -2.781 206 HA LYS 28 HA LYS 28 2.293 -3.628 -3.710 207 1HB LYS 28 2HB LYS 28 2.878 -1.060 -5.189 208 2HB LYS 28 1HB LYS 28 2.564 -2.641 -5.894 209 1HG LYS 28 2HG LYS 28 0.327 -2.461 -5.648 210 2HG LYS 28 1HG LYS 28 0.455 -1.549 -4.142 211 1HD LYS 28 2HD LYS 28 -0.451 -0.091 -5.806 212 2HD LYS 28 1HD LYS 28 1.209 0.418 -5.489 213 1HE LYS 28 2HE LYS 28 1.893 -0.966 -7.479 214 2HE LYS 28 1HE LYS 28 0.178 -1.157 -7.840 215 1HZ LYS 28 1HZ LYS 28 1.629 1.429 -7.667 216 2HZ LYS 28 2HZ LYS 28 -0.015 1.244 -8.018 217 3HZ LYS 28 3HZ LYS 28 1.150 0.661 -9.096 218 H GLN 29 H GLN 29 4.404 -1.284 -2.410 219 HA GLN 29 HA GLN 29 6.785 -1.922 -3.774 220 1HB GLN 29 2HB GLN 29 6.212 -0.705 -1.083 221 2HB GLN 29 1HB GLN 29 7.859 -1.004 -1.623 222 1HG GLN 29 2HG GLN 29 6.114 0.452 -3.501 223 2HG GLN 29 1HG GLN 29 6.559 1.301 -2.021 224 1HE2 GLN 29 1HE2 GLN 29 7.745 2.786 -3.284 225 2HE2 GLN 29 2HE2 GLN 29 9.304 2.381 -3.909 226 H PHE 30 H PHE 30 5.912 -2.823 -0.425 227 HA PHE 30 HA PHE 30 6.956 -5.501 -0.888 228 1HB PHE 30 2HB PHE 30 8.168 -5.102 1.448 229 2HB PHE 30 1HB PHE 30 8.967 -4.797 -0.090 230 HD1 PHE 30 1HD PHE 30 6.608 -2.920 2.118 231 HD2 PHE 30 2HD PHE 30 10.253 -2.906 -0.077 232 HE1 PHE 30 1HE PHE 30 7.005 -0.590 2.801 233 HE2 PHE 30 2HE PHE 30 10.658 -0.575 0.601 234 HZ PHE 30 HZ PHE 30 9.033 0.585 2.042 235 H TYR 31 H TYR 31 4.392 -3.997 -0.030 236 HA TYR 31 HA TYR 31 3.903 -5.497 2.453 237 1HB TYR 31 2HB TYR 31 3.396 -2.836 1.867 238 2HB TYR 31 1HB TYR 31 1.821 -3.601 1.683 239 HD1 TYR 31 1HD TYR 31 4.383 -2.541 4.015 240 HD2 TYR 31 2HD TYR 31 0.804 -4.806 3.608 241 HE1 TYR 31 1HE TYR 31 4.094 -2.510 6.456 242 HE2 TYR 31 2HE TYR 31 0.504 -4.780 6.048 243 HH TYR 31 HH TYR 31 2.968 -3.738 8.193 244 H CYS 32 H CYS 32 3.034 -5.209 -0.864 245 HA CYS 32 HA CYS 32 0.562 -6.680 -0.618 246 1HB CYS 32 2HB CYS 32 1.043 -4.899 -2.364 247 2HB CYS 32 1HB CYS 32 2.086 -6.078 -3.151 248 H LYS 33 H LYS 33 0.182 -8.751 -1.561 249 HA LYS 33 HA LYS 33 2.577 -10.382 -2.026 250 1HB LYS 33 2HB LYS 33 1.640 -12.198 -0.673 251 2HB LYS 33 1HB LYS 33 1.900 -10.752 0.294 252 1HG LYS 33 2HG LYS 33 -0.304 -10.443 0.681 253 2HG LYS 33 1HG LYS 33 -0.781 -11.064 -0.901 254 1HD LYS 33 2HD LYS 33 -0.805 -13.246 -0.189 255 2HD LYS 33 1HD LYS 33 0.389 -12.957 1.078 256 1HE LYS 33 2HE LYS 33 -1.461 -11.508 2.159 257 2HE LYS 33 1HE LYS 33 -2.551 -12.381 1.082 258 1HZ LYS 33 1HZ LYS 33 -2.451 -13.480 3.199 259 2HZ LYS 33 2HZ LYS 33 -0.764 -13.578 3.129 260 3HZ LYS 33 3HZ LYS 33 -1.707 -14.465 2.042 261 H ASN 34 H ASN 34 0.548 -9.197 -3.797 262 HA ASN 34 HA ASN 34 -0.347 -11.690 -5.069 263 1HB ASN 34 2HB ASN 34 -1.969 -9.204 -4.560 264 2HB ASN 34 1HB ASN 34 -2.391 -10.336 -5.840 265 1HD2 ASN 34 1HD2 ASN 34 -3.233 -9.485 -2.883 266 2HD2 ASN 34 2HD2 ASN 34 -3.743 -11.002 -2.232 267 H LYS 35 H LYS 35 1.465 -11.519 -6.448 268 HA LYS 35 HA LYS 35 1.426 -9.245 -8.312 269 1HB LYS 35 2HB LYS 35 3.541 -9.853 -6.993 270 2HB LYS 35 1HB LYS 35 3.650 -11.258 -8.045 271 1HG LYS 35 2HG LYS 35 3.377 -9.346 -9.899 272 2HG LYS 35 1HG LYS 35 4.155 -8.409 -8.621 273 1HD LYS 35 2HD LYS 35 5.184 -10.998 -9.781 274 2HD LYS 35 1HD LYS 35 5.796 -9.387 -10.158 275 1HE LYS 35 2HE LYS 35 6.694 -9.100 -8.023 276 2HE LYS 35 1HE LYS 35 5.707 -10.386 -7.334 277 1HZ LYS 35 1HZ LYS 35 7.778 -11.354 -7.509 278 2HZ LYS 35 2HZ LYS 35 8.140 -10.604 -8.980 279 3HZ LYS 35 3HZ LYS 35 7.032 -11.881 -8.933 280 HA PRO 36 HA PRO 36 -0.347 -12.657 -10.838 281 1HB PRO 36 2HB PRO 36 -1.873 -11.034 -12.389 282 2HB PRO 36 1HB PRO 36 -2.399 -11.620 -10.806 283 1HG PRO 36 2HG PRO 36 -1.213 -8.973 -11.548 284 2HG PRO 36 1HG PRO 36 -2.578 -9.325 -10.473 285 1HD PRO 36 2HD PRO 36 -0.097 -8.776 -9.541 286 2HD PRO 36 1HD PRO 36 -1.206 -9.883 -8.705 Start of MODEL 9 1 1H GLY 1 1HT GLY 1 -21.597 7.602 -12.430 2 2H GLY 1 2HT GLY 1 -20.907 8.957 -13.172 3 3H GLY 1 3HT GLY 1 -19.931 7.872 -12.318 4 1HA GLY 1 1HA GLY 1 -20.680 6.117 -13.959 5 2HA GLY 1 2HA GLY 1 -21.288 7.460 -14.914 6 H SER 2 H SER 2 -19.060 9.199 -13.973 7 HA SER 2 HA SER 2 -17.285 8.764 -16.104 8 1HB SER 2 2HB SER 2 -17.673 10.961 -14.974 9 2HB SER 2 1HB SER 2 -16.745 10.369 -13.596 10 HG SER 2 HG SER 2 -15.788 10.619 -16.258 11 H ALA 3 H ALA 3 -14.737 9.031 -15.192 12 HA ALA 3 HA ALA 3 -14.141 6.953 -13.270 13 1HB ALA 3 1HB ALA 3 -12.819 6.486 -15.876 14 2HB ALA 3 2HB ALA 3 -14.516 6.023 -15.745 15 3HB ALA 3 3HB ALA 3 -13.327 5.339 -14.637 16 H ALA 4 H ALA 4 -13.135 8.697 -12.188 17 HA ALA 4 HA ALA 4 -11.150 10.338 -13.346 18 1HB ALA 4 1HB ALA 4 -10.523 10.359 -10.699 19 2HB ALA 4 2HB ALA 4 -12.207 9.838 -10.658 20 3HB ALA 4 3HB ALA 4 -11.772 11.355 -11.445 21 H GLU 5 H GLU 5 -9.905 8.710 -14.505 22 HA GLU 5 HA GLU 5 -8.045 7.438 -14.816 23 1HB GLU 5 2HB GLU 5 -7.026 9.309 -13.508 24 2HB GLU 5 1HB GLU 5 -7.266 8.363 -12.046 25 1HG GLU 5 2HG GLU 5 -5.768 6.660 -12.841 26 2HG GLU 5 1HG GLU 5 -5.612 7.475 -14.397 27 H VAL 6 H VAL 6 -6.867 5.497 -14.041 28 HA VAL 6 HA VAL 6 -8.722 3.736 -12.645 29 HB VAL 6 HB VAL 6 -6.108 2.982 -13.950 30 1HG1 VAL 6 1HG1 VAL 6 -6.733 1.180 -12.647 31 2HG1 VAL 6 2HG1 VAL 6 -7.491 0.792 -14.192 32 3HG1 VAL 6 3HG1 VAL 6 -8.456 1.473 -12.881 33 1HG2 VAL 6 1HG2 VAL 6 -8.751 3.598 -15.124 34 2HG2 VAL 6 2HG2 VAL 6 -7.930 2.160 -15.731 35 3HG2 VAL 6 3HG2 VAL 6 -7.138 3.734 -15.824 36 H MET 7 H MET 7 -7.909 2.207 -11.026 37 HA MET 7 HA MET 7 -6.867 1.686 -9.071 38 1HB MET 7 2HB MET 7 -4.597 3.425 -10.045 39 2HB MET 7 1HB MET 7 -4.517 2.179 -8.808 40 1HG MET 7 2HG MET 7 -3.822 0.826 -10.421 41 2HG MET 7 1HG MET 7 -5.493 0.817 -10.982 42 1HE MET 7 1HE MET 7 -2.128 3.372 -11.765 43 2HE MET 7 2HE MET 7 -1.816 2.137 -12.985 44 3HE MET 7 3HE MET 7 -2.038 1.674 -11.298 45 H LYS 8 H LYS 8 -8.553 2.961 -8.070 46 HA LYS 8 HA LYS 8 -7.759 5.621 -7.163 47 1HB LYS 8 2HB LYS 8 -10.368 4.200 -6.625 48 2HB LYS 8 1HB LYS 8 -10.032 5.917 -6.462 49 1HG LYS 8 2HG LYS 8 -9.595 4.788 -9.144 50 2HG LYS 8 1HG LYS 8 -11.267 4.818 -8.582 51 1HD LYS 8 2HD LYS 8 -10.441 7.301 -7.872 52 2HD LYS 8 1HD LYS 8 -9.477 7.030 -9.327 53 1HE LYS 8 2HE LYS 8 -12.477 6.818 -9.093 54 2HE LYS 8 1HE LYS 8 -11.578 8.106 -9.892 55 1HZ LYS 8 1HZ LYS 8 -11.497 5.252 -10.709 56 2HZ LYS 8 2HZ LYS 8 -10.790 6.558 -11.520 57 3HZ LYS 8 3HZ LYS 8 -12.474 6.427 -11.436 58 H LYS 9 H LYS 9 -6.163 3.706 -6.120 59 HA LYS 9 HA LYS 9 -5.278 2.969 -4.158 60 1HB LYS 9 2HB LYS 9 -7.310 4.594 -2.655 61 2HB LYS 9 1HB LYS 9 -5.649 4.226 -2.212 62 1HG LYS 9 2HG LYS 9 -5.242 6.316 -2.891 63 2HG LYS 9 1HG LYS 9 -5.276 5.617 -4.510 64 1HD LYS 9 2HD LYS 9 -7.109 6.767 -5.050 65 2HD LYS 9 1HD LYS 9 -7.943 6.240 -3.587 66 1HE LYS 9 2HE LYS 9 -7.618 8.736 -3.858 67 2HE LYS 9 1HE LYS 9 -7.086 8.039 -2.328 68 1HZ LYS 9 1HZ LYS 9 -4.874 8.276 -2.890 69 2HZ LYS 9 2HZ LYS 9 -5.552 9.677 -3.553 70 3HZ LYS 9 3HZ LYS 9 -5.181 8.365 -4.552 71 H TYR 10 H TYR 10 -6.401 0.946 -4.915 72 HA TYR 10 HA TYR 10 -7.744 -0.247 -2.698 73 1HB TYR 10 2HB TYR 10 -9.676 0.861 -3.684 74 2HB TYR 10 1HB TYR 10 -9.306 0.161 -5.257 75 HD1 TYR 10 1HD TYR 10 -10.562 -1.659 -5.895 76 HD2 TYR 10 2HD TYR 10 -9.887 -1.004 -1.747 77 HE1 TYR 10 1HE TYR 10 -11.970 -3.604 -5.366 78 HE2 TYR 10 2HE TYR 10 -11.292 -2.948 -1.204 79 HH TYR 10 HH TYR 10 -12.003 -5.289 -3.097 80 H CYS 11 H CYS 11 -6.497 -2.010 -2.623 81 HA CYS 11 HA CYS 11 -5.619 -3.329 -5.048 82 1HB CYS 11 2HB CYS 11 -4.212 -3.004 -2.926 83 2HB CYS 11 1HB CYS 11 -5.169 -4.308 -2.233 84 H SER 12 H SER 12 -7.485 -4.177 -5.954 85 HA SER 12 HA SER 12 -9.543 -5.526 -4.718 86 1HB SER 12 2HB SER 12 -8.351 -5.688 -7.462 87 2HB SER 12 1HB SER 12 -9.619 -6.823 -6.999 88 HG SER 12 HG SER 12 -10.971 -5.276 -7.376 89 H THR 13 H THR 13 -6.441 -6.827 -5.820 90 HA THR 13 HA THR 13 -6.953 -9.536 -5.392 91 HB THR 13 HB THR 13 -4.268 -8.273 -4.886 92 HG1 THR 13 1HG THR 13 -3.979 -8.039 -7.029 93 1HG2 THR 13 1HG2 THR 13 -3.538 -10.353 -4.956 94 2HG2 THR 13 2HG2 THR 13 -4.127 -10.485 -6.613 95 3HG2 THR 13 3HG2 THR 13 -5.169 -10.946 -5.267 96 H CYS 14 H CYS 14 -5.642 -7.090 -3.181 97 HA CYS 14 HA CYS 14 -5.491 -8.957 -0.991 98 1HB CYS 14 2HB CYS 14 -4.954 -6.017 -1.305 99 2HB CYS 14 1HB CYS 14 -4.964 -6.778 0.277 100 H ASP 15 H ASP 15 -7.815 -6.769 -2.279 101 HA ASP 15 HA ASP 15 -9.972 -6.343 -1.722 102 1HB ASP 15 2HB ASP 15 -9.828 -8.093 0.703 103 2HB ASP 15 1HB ASP 15 -11.159 -7.837 -0.418 104 H ILE 16 H ILE 16 -8.207 -4.491 -1.000 105 HA ILE 16 HA ILE 16 -9.394 -3.391 1.414 106 HB ILE 16 HB ILE 16 -6.397 -3.341 1.217 107 1HG1 ILE 16 2HG1 ILE 16 -8.064 -5.387 2.702 108 2HG1 ILE 16 1HG1 ILE 16 -7.052 -5.711 1.298 109 1HG2 ILE 16 1HG2 ILE 16 -7.150 -1.719 2.703 110 2HG2 ILE 16 2HG2 ILE 16 -6.759 -3.082 3.750 111 3HG2 ILE 16 3HG2 ILE 16 -8.439 -2.749 3.326 112 1HD1 ILE 16 1HD1 ILE 16 -6.177 -4.922 4.058 113 2HD1 ILE 16 2HD1 ILE 16 -5.097 -4.929 2.665 114 3HD1 ILE 16 3HD1 ILE 16 -5.855 -6.428 3.201 115 H SER 17 H SER 17 -8.780 -1.088 1.720 116 HA SER 17 HA SER 17 -7.964 0.197 -0.798 117 1HB SER 17 2HB SER 17 -9.747 1.999 0.244 118 2HB SER 17 1HB SER 17 -10.125 0.830 -1.022 119 HG SER 17 HG SER 17 -11.303 1.009 1.260 120 H PHE 18 H PHE 18 -7.240 2.441 -0.527 121 HA PHE 18 HA PHE 18 -6.297 3.072 2.180 122 1HB PHE 18 2HB PHE 18 -4.516 3.345 -0.241 123 2HB PHE 18 1HB PHE 18 -4.070 3.512 1.453 124 HD1 PHE 18 1HD PHE 18 -4.441 1.379 2.922 125 HD2 PHE 18 2HD PHE 18 -4.096 1.357 -1.319 126 HE1 PHE 18 1HE PHE 18 -3.804 -0.995 2.991 127 HE2 PHE 18 2HE PHE 18 -3.460 -1.019 -1.258 128 HZ PHE 18 HZ PHE 18 -3.314 -2.198 0.898 129 H ASN 19 H ASN 19 -6.584 5.139 2.729 130 HA ASN 19 HA ASN 19 -7.837 6.934 0.876 131 1HB ASN 19 2HB ASN 19 -7.789 8.525 2.818 132 2HB ASN 19 1HB ASN 19 -8.578 6.988 3.160 133 1HD2 ASN 19 1HD2 ASN 19 -7.752 5.659 4.689 134 2HD2 ASN 19 2HD2 ASN 19 -6.388 6.052 5.673 135 H TYR 20 H TYR 20 -4.629 6.484 2.165 136 HA TYR 20 HA TYR 20 -3.715 8.968 0.901 137 1HB TYR 20 2HB TYR 20 -2.216 7.094 2.742 138 2HB TYR 20 1HB TYR 20 -1.651 8.659 2.167 139 HD1 TYR 20 1HD TYR 20 -4.032 10.341 2.506 140 HD2 TYR 20 2HD TYR 20 -2.441 7.320 5.045 141 HE1 TYR 20 1HE TYR 20 -5.074 11.432 4.448 142 HE2 TYR 20 2HE TYR 20 -3.479 8.402 6.993 143 HH TYR 20 HH TYR 20 -5.864 10.694 6.770 144 H VAL 21 H VAL 21 -2.542 8.971 -0.912 145 HA VAL 21 HA VAL 21 -2.299 6.680 -2.511 146 HB VAL 21 HB VAL 21 -0.699 9.236 -2.739 147 1HG1 VAL 21 1HG1 VAL 21 0.355 7.952 -4.277 148 2HG1 VAL 21 2HG1 VAL 21 -1.034 8.404 -5.264 149 3HG1 VAL 21 3HG1 VAL 21 -1.005 6.843 -4.445 150 1HG2 VAL 21 1HG2 VAL 21 -3.255 9.416 -2.668 151 2HG2 VAL 21 2HG2 VAL 21 -3.224 8.605 -4.233 152 3HG2 VAL 21 3HG2 VAL 21 -2.418 10.160 -4.031 153 H LYS 22 H LYS 22 -0.057 8.233 -0.290 154 HA LYS 22 HA LYS 22 2.302 6.937 -0.987 155 1HB LYS 22 2HB LYS 22 2.858 7.219 1.513 156 2HB LYS 22 1HB LYS 22 2.534 8.667 0.569 157 1HG LYS 22 2HG LYS 22 0.082 7.704 1.670 158 2HG LYS 22 1HG LYS 22 1.291 7.823 2.949 159 1HD LYS 22 2HD LYS 22 0.805 10.054 0.994 160 2HD LYS 22 1HD LYS 22 -0.122 9.895 2.486 161 1HE LYS 22 2HE LYS 22 2.839 10.324 2.176 162 2HE LYS 22 1HE LYS 22 1.663 11.389 2.944 163 1HZ LYS 22 1HZ LYS 22 2.653 10.371 4.734 164 2HZ LYS 22 2HZ LYS 22 2.827 8.882 3.952 165 3HZ LYS 22 3HZ LYS 22 1.305 9.374 4.500 166 H THR 23 H THR 23 -0.440 5.800 0.852 167 HA THR 23 HA THR 23 0.759 3.498 1.970 168 HB THR 23 HB THR 23 -2.138 3.974 1.252 169 HG1 THR 23 1HG THR 23 -1.032 5.498 2.734 170 1HG2 THR 23 1HG2 THR 23 -1.855 1.662 1.749 171 2HG2 THR 23 2HG2 THR 23 -2.592 2.439 3.150 172 3HG2 THR 23 3HG2 THR 23 -0.877 2.032 3.168 173 H TYR 24 H TYR 24 -1.199 3.975 -0.959 174 HA TYR 24 HA TYR 24 -1.163 1.307 -1.826 175 1HB TYR 24 2HB TYR 24 -2.532 3.374 -2.677 176 2HB TYR 24 1HB TYR 24 -1.175 3.585 -3.778 177 HD1 TYR 24 1HD TYR 24 -2.818 0.463 -2.569 178 HD2 TYR 24 2HD TYR 24 -1.967 2.995 -5.881 179 HE1 TYR 24 1HE TYR 24 -3.799 -1.204 -4.087 180 HE2 TYR 24 2HE TYR 24 -2.946 1.335 -7.408 181 HH TYR 24 HH TYR 24 -3.680 -1.843 -6.445 182 H LEU 25 H LEU 25 1.141 3.907 -2.156 183 HA LEU 25 HA LEU 25 2.748 2.690 -4.157 184 1HB LEU 25 2HB LEU 25 2.986 4.986 -2.314 185 2HB LEU 25 1HB LEU 25 4.501 4.285 -2.852 186 HG LEU 25 HG LEU 25 3.924 4.689 -5.170 187 1HD1 LEU 25 1HD1 LEU 25 1.778 6.253 -5.376 188 2HD1 LEU 25 2HD1 LEU 25 1.267 5.270 -4.005 189 3HD1 LEU 25 3HD1 LEU 25 1.695 4.499 -5.531 190 1HD2 LEU 25 1HD2 LEU 25 3.962 7.113 -5.167 191 2HD2 LEU 25 2HD2 LEU 25 4.998 6.490 -3.883 192 3HD2 LEU 25 3HD2 LEU 25 3.406 7.143 -3.493 193 H ALA 26 H ALA 26 3.257 3.052 -0.664 194 HA ALA 26 HA ALA 26 5.463 1.336 -0.513 195 1HB ALA 26 1HB ALA 26 4.408 3.054 1.207 196 2HB ALA 26 2HB ALA 26 5.430 1.717 1.733 197 3HB ALA 26 3HB ALA 26 3.675 1.580 1.840 198 H HIS 27 H HIS 27 2.123 0.698 -0.848 199 HA HIS 27 HA HIS 27 2.056 -1.873 0.370 200 1HB HIS 27 2HB HIS 27 0.026 -0.515 -0.011 201 2HB HIS 27 1HB HIS 27 0.238 -0.706 -1.749 202 HD1 HIS 27 1HD HIS 27 -0.964 -2.520 1.290 203 HD2 HIS 27 2HD HIS 27 -0.400 -3.232 -2.764 204 HE1 HIS 27 1HE HIS 27 -2.179 -4.678 0.772 205 H LYS 28 H LYS 28 2.037 -0.890 -3.062 206 HA LYS 28 HA LYS 28 2.464 -3.516 -4.033 207 1HB LYS 28 2HB LYS 28 2.324 -0.806 -5.152 208 2HB LYS 28 1HB LYS 28 3.396 -1.884 -6.034 209 1HG LYS 28 2HG LYS 28 1.338 -2.122 -7.091 210 2HG LYS 28 1HG LYS 28 1.448 -3.533 -6.037 211 1HD LYS 28 2HD LYS 28 0.159 -2.153 -4.327 212 2HD LYS 28 1HD LYS 28 -0.171 -1.029 -5.646 213 1HE LYS 28 2HE LYS 28 -2.031 -2.494 -5.520 214 2HE LYS 28 1HE LYS 28 -1.098 -2.981 -6.934 215 1HZ LYS 28 1HZ LYS 28 -1.727 -4.925 -5.741 216 2HZ LYS 28 2HZ LYS 28 -1.140 -4.306 -4.280 217 3HZ LYS 28 3HZ LYS 28 -0.063 -4.714 -5.518 218 H GLN 29 H GLN 29 4.560 -1.206 -2.645 219 HA GLN 29 HA GLN 29 6.972 -1.854 -3.943 220 1HB GLN 29 2HB GLN 29 6.234 -0.537 -1.370 221 2HB GLN 29 1HB GLN 29 7.901 -1.048 -1.596 222 1HG GLN 29 2HG GLN 29 7.991 0.277 -3.674 223 2HG GLN 29 1HG GLN 29 6.352 0.843 -3.350 224 1HE2 GLN 29 1HE2 GLN 29 6.298 2.792 -2.521 225 2HE2 GLN 29 2HE2 GLN 29 7.464 3.485 -1.450 226 H PHE 30 H PHE 30 5.970 -2.800 -0.641 227 HA PHE 30 HA PHE 30 6.974 -5.485 -1.098 228 1HB PHE 30 2HB PHE 30 8.211 -5.113 1.229 229 2HB PHE 30 1HB PHE 30 9.007 -4.836 -0.315 230 HD1 PHE 30 1HD PHE 30 7.179 -3.129 2.421 231 HD2 PHE 30 2HD PHE 30 9.885 -2.739 -0.841 232 HE1 PHE 30 1HE PHE 30 7.642 -0.807 3.088 233 HE2 PHE 30 2HE PHE 30 10.354 -0.416 -0.179 234 HZ PHE 30 HZ PHE 30 9.231 0.553 1.788 235 H TYR 31 H TYR 31 4.430 -4.003 -0.290 236 HA TYR 31 HA TYR 31 3.942 -5.405 2.251 237 1HB TYR 31 2HB TYR 31 3.412 -2.773 1.560 238 2HB TYR 31 1HB TYR 31 1.845 -3.560 1.408 239 HD1 TYR 31 1HD TYR 31 4.452 -2.470 3.705 240 HD2 TYR 31 2HD TYR 31 0.790 -4.610 3.368 241 HE1 TYR 31 1HE TYR 31 4.161 -2.345 6.143 242 HE2 TYR 31 2HE TYR 31 0.490 -4.490 5.806 243 HH TYR 31 HH TYR 31 2.435 -2.484 7.802 244 H CYS 32 H CYS 32 3.087 -5.253 -1.076 245 HA CYS 32 HA CYS 32 0.663 -6.818 -0.737 246 1HB CYS 32 2HB CYS 32 0.970 -4.961 -2.461 247 2HB CYS 32 1HB CYS 32 2.003 -6.085 -3.337 248 H LYS 33 H LYS 33 0.828 -8.941 -0.434 249 HA LYS 33 HA LYS 33 3.135 -10.373 -1.525 250 1HB LYS 33 2HB LYS 33 2.226 -12.261 -0.075 251 2HB LYS 33 1HB LYS 33 2.856 -10.851 0.765 252 1HG LYS 33 2HG LYS 33 0.661 -10.056 1.236 253 2HG LYS 33 1HG LYS 33 -0.065 -11.276 0.188 254 1HD LYS 33 2HD LYS 33 0.615 -13.037 1.671 255 2HD LYS 33 1HD LYS 33 1.547 -11.908 2.657 256 1HE LYS 33 2HE LYS 33 -0.513 -10.746 3.275 257 2HE LYS 33 1HE LYS 33 -1.446 -11.864 2.280 258 1HZ LYS 33 1HZ LYS 33 -1.615 -12.655 4.466 259 2HZ LYS 33 2HZ LYS 33 0.036 -12.447 4.775 260 3HZ LYS 33 3HZ LYS 33 -0.480 -13.671 3.729 261 H ASN 34 H ASN 34 0.801 -9.466 -3.135 262 HA ASN 34 HA ASN 34 -0.665 -10.237 -4.709 263 1HB ASN 34 2HB ASN 34 1.802 -11.188 -5.246 264 2HB ASN 34 1HB ASN 34 0.918 -12.706 -5.125 265 1HD2 ASN 34 1HD2 ASN 34 0.663 -9.498 -6.610 266 2HD2 ASN 34 2HD2 ASN 34 -0.019 -10.051 -8.097 267 H LYS 35 H LYS 35 -1.692 -10.827 -2.301 268 HA LYS 35 HA LYS 35 -2.454 -13.651 -2.324 269 1HB LYS 35 2HB LYS 35 -2.366 -11.516 -0.289 270 2HB LYS 35 1HB LYS 35 -3.740 -12.606 -0.168 271 1HG LYS 35 2HG LYS 35 -1.732 -14.381 -0.492 272 2HG LYS 35 1HG LYS 35 -0.892 -13.085 0.361 273 1HD LYS 35 2HD LYS 35 -1.690 -14.124 2.197 274 2HD LYS 35 1HD LYS 35 -3.166 -13.236 1.813 275 1HE LYS 35 2HE LYS 35 -4.225 -15.095 0.968 276 2HE LYS 35 1HE LYS 35 -2.711 -15.897 0.550 277 1HZ LYS 35 1HZ LYS 35 -3.306 -17.097 2.367 278 2HZ LYS 35 2HZ LYS 35 -4.128 -15.818 3.106 279 3HZ LYS 35 3HZ LYS 35 -2.439 -15.873 3.151 280 HA PRO 36 HA PRO 36 -6.402 -12.855 -4.126 281 1HB PRO 36 2HB PRO 36 -7.866 -14.874 -3.064 282 2HB PRO 36 1HB PRO 36 -6.633 -15.137 -4.304 283 1HG PRO 36 2HG PRO 36 -6.449 -15.512 -1.339 284 2HG PRO 36 1HG PRO 36 -5.848 -16.559 -2.638 285 1HD PRO 36 2HD PRO 36 -4.243 -14.855 -1.273 286 2HD PRO 36 1HD PRO 36 -3.966 -15.275 -2.975 Start of MODEL 10 1 1H GLY 1 1HT GLY 1 -0.707 18.396 -13.526 2 2H GLY 1 2HT GLY 1 0.614 18.224 -12.484 3 3H GLY 1 3HT GLY 1 -0.936 17.791 -11.963 4 1HA GLY 1 1HA GLY 1 0.656 16.448 -14.076 5 2HA GLY 1 2HA GLY 1 0.308 15.812 -12.476 6 H SER 2 H SER 2 -2.196 15.901 -12.002 7 HA SER 2 HA SER 2 -4.230 14.985 -12.436 8 1HB SER 2 2HB SER 2 -4.660 16.788 -13.925 9 2HB SER 2 1HB SER 2 -3.581 16.127 -15.154 10 HG SER 2 HG SER 2 -5.383 15.337 -15.914 11 H ALA 3 H ALA 3 -5.332 13.180 -13.510 12 HA ALA 3 HA ALA 3 -3.733 11.408 -15.144 13 1HB ALA 3 1HB ALA 3 -4.434 10.719 -12.302 14 2HB ALA 3 2HB ALA 3 -2.844 10.725 -13.063 15 3HB ALA 3 3HB ALA 3 -4.032 9.501 -13.512 16 H ALA 4 H ALA 4 -6.285 12.831 -15.327 17 HA ALA 4 HA ALA 4 -8.387 12.492 -16.129 18 1HB ALA 4 1HB ALA 4 -7.796 11.162 -17.867 19 2HB ALA 4 2HB ALA 4 -8.720 9.974 -16.948 20 3HB ALA 4 3HB ALA 4 -6.960 9.999 -16.838 21 H GLU 5 H GLU 5 -7.744 11.980 -13.276 22 HA GLU 5 HA GLU 5 -8.766 11.254 -11.378 23 1HB GLU 5 2HB GLU 5 -10.664 12.448 -12.577 24 2HB GLU 5 1HB GLU 5 -11.225 10.859 -13.077 25 1HG GLU 5 2HG GLU 5 -11.391 10.213 -10.698 26 2HG GLU 5 1HG GLU 5 -10.941 11.859 -10.254 27 H VAL 6 H VAL 6 -7.483 9.350 -11.280 28 HA VAL 6 HA VAL 6 -8.781 6.889 -12.219 29 HB VAL 6 HB VAL 6 -5.980 7.171 -11.131 30 1HG1 VAL 6 1HG1 VAL 6 -5.610 5.018 -12.209 31 2HG1 VAL 6 2HG1 VAL 6 -7.283 4.997 -12.768 32 3HG1 VAL 6 3HG1 VAL 6 -6.928 4.916 -11.042 33 1HG2 VAL 6 1HG2 VAL 6 -5.602 6.777 -13.761 34 2HG2 VAL 6 2HG2 VAL 6 -5.649 8.375 -13.017 35 3HG2 VAL 6 3HG2 VAL 6 -7.086 7.730 -13.811 36 H MET 7 H MET 7 -9.045 5.105 -10.815 37 HA MET 7 HA MET 7 -9.258 5.874 -7.990 38 1HB MET 7 2HB MET 7 -11.212 4.902 -9.566 39 2HB MET 7 1HB MET 7 -10.554 3.388 -8.959 40 1HG MET 7 2HG MET 7 -10.752 4.694 -6.650 41 2HG MET 7 1HG MET 7 -12.024 5.527 -7.542 42 1HE MET 7 1HE MET 7 -14.327 3.815 -5.665 43 2HE MET 7 2HE MET 7 -12.834 4.668 -5.274 44 3HE MET 7 3HE MET 7 -13.019 2.969 -4.839 45 H LYS 8 H LYS 8 -6.815 5.437 -8.275 46 HA LYS 8 HA LYS 8 -6.161 2.606 -8.004 47 1HB LYS 8 2HB LYS 8 -4.231 4.922 -7.924 48 2HB LYS 8 1HB LYS 8 -3.878 3.233 -8.264 49 1HG LYS 8 2HG LYS 8 -5.507 3.622 -10.280 50 2HG LYS 8 1HG LYS 8 -5.076 5.312 -10.021 51 1HD LYS 8 2HD LYS 8 -2.927 3.241 -10.173 52 2HD LYS 8 1HD LYS 8 -3.673 3.838 -11.657 53 1HE LYS 8 2HE LYS 8 -2.721 5.879 -11.472 54 2HE LYS 8 1HE LYS 8 -2.845 5.893 -9.713 55 1HZ LYS 8 1HZ LYS 8 -0.558 5.798 -10.282 56 2HZ LYS 8 2HZ LYS 8 -0.797 4.513 -11.356 57 3HZ LYS 8 3HZ LYS 8 -0.978 4.269 -9.692 58 H LYS 9 H LYS 9 -7.690 3.340 -5.937 59 HA LYS 9 HA LYS 9 -5.780 3.447 -3.702 60 1HB LYS 9 2HB LYS 9 -8.531 4.623 -3.456 61 2HB LYS 9 1HB LYS 9 -7.111 4.923 -2.466 62 1HG LYS 9 2HG LYS 9 -7.284 5.767 -5.344 63 2HG LYS 9 1HG LYS 9 -7.827 6.787 -4.010 64 1HD LYS 9 2HD LYS 9 -5.145 5.658 -3.651 65 2HD LYS 9 1HD LYS 9 -5.294 6.750 -5.031 66 1HE LYS 9 2HE LYS 9 -6.491 7.595 -2.446 67 2HE LYS 9 1HE LYS 9 -4.734 7.627 -2.590 68 1HZ LYS 9 1HZ LYS 9 -5.258 9.699 -3.340 69 2HZ LYS 9 2HZ LYS 9 -6.744 9.228 -3.998 70 3HZ LYS 9 3HZ LYS 9 -5.306 8.860 -4.809 71 H TYR 10 H TYR 10 -6.699 1.100 -4.856 72 HA TYR 10 HA TYR 10 -7.821 -0.205 -2.581 73 1HB TYR 10 2HB TYR 10 -9.886 0.713 -3.544 74 2HB TYR 10 1HB TYR 10 -9.517 -0.058 -5.083 75 HD1 TYR 10 1HD TYR 10 -9.836 -2.434 -5.392 76 HD2 TYR 10 2HD TYR 10 -10.622 -0.613 -1.629 77 HE1 TYR 10 1HE TYR 10 -11.026 -4.460 -4.668 78 HE2 TYR 10 2HE TYR 10 -11.814 -2.634 -0.892 79 HH TYR 10 HH TYR 10 -11.761 -5.136 -1.520 80 H CYS 11 H CYS 11 -6.533 -1.925 -2.512 81 HA CYS 11 HA CYS 11 -5.496 -3.106 -4.946 82 1HB CYS 11 2HB CYS 11 -4.123 -2.766 -2.846 83 2HB CYS 11 1HB CYS 11 -5.065 -4.057 -2.111 84 H SER 12 H SER 12 -7.308 -4.023 -5.916 85 HA SER 12 HA SER 12 -9.291 -5.551 -4.791 86 1HB SER 12 2HB SER 12 -8.744 -4.811 -7.307 87 2HB SER 12 1HB SER 12 -8.237 -6.497 -7.405 88 HG SER 12 HG SER 12 -10.425 -6.319 -7.919 89 H THR 13 H THR 13 -6.086 -6.618 -5.846 90 HA THR 13 HA THR 13 -6.430 -9.365 -5.495 91 HB THR 13 HB THR 13 -3.916 -7.734 -5.079 92 HG1 THR 13 1HG THR 13 -4.955 -8.994 -7.396 93 1HG2 THR 13 1HG2 THR 13 -2.821 -9.611 -4.710 94 2HG2 THR 13 2HG2 THR 13 -3.409 -10.265 -6.239 95 3HG2 THR 13 3HG2 THR 13 -4.337 -10.510 -4.759 96 H CYS 14 H CYS 14 -5.887 -6.821 -3.177 97 HA CYS 14 HA CYS 14 -5.526 -8.769 -1.023 98 1HB CYS 14 2HB CYS 14 -4.997 -5.832 -1.304 99 2HB CYS 14 1HB CYS 14 -5.148 -6.555 0.288 100 H ASP 15 H ASP 15 -7.855 -6.645 -2.397 101 HA ASP 15 HA ASP 15 -10.036 -6.254 -1.914 102 1HB ASP 15 2HB ASP 15 -9.977 -8.056 0.472 103 2HB ASP 15 1HB ASP 15 -11.247 -7.816 -0.720 104 H ILE 16 H ILE 16 -8.335 -4.393 -1.063 105 HA ILE 16 HA ILE 16 -9.644 -3.385 1.329 106 HB ILE 16 HB ILE 16 -6.644 -3.271 1.255 107 1HG1 ILE 16 2HG1 ILE 16 -8.315 -5.389 2.630 108 2HG1 ILE 16 1HG1 ILE 16 -7.279 -5.657 1.231 109 1HG2 ILE 16 1HG2 ILE 16 -7.458 -1.719 2.770 110 2HG2 ILE 16 2HG2 ILE 16 -7.136 -3.122 3.789 111 3HG2 ILE 16 3HG2 ILE 16 -8.786 -2.763 3.280 112 1HD1 ILE 16 1HD1 ILE 16 -6.595 -5.389 4.070 113 2HD1 ILE 16 2HD1 ILE 16 -5.514 -4.560 2.950 114 3HD1 ILE 16 3HD1 ILE 16 -5.796 -6.293 2.784 115 H SER 17 H SER 17 -9.083 -1.081 1.731 116 HA SER 17 HA SER 17 -8.305 0.290 -0.759 117 1HB SER 17 2HB SER 17 -10.832 0.294 0.131 118 2HB SER 17 1HB SER 17 -10.208 1.637 1.089 119 HG SER 17 HG SER 17 -9.807 1.463 -1.704 120 H PHE 18 H PHE 18 -7.537 2.525 -0.429 121 HA PHE 18 HA PHE 18 -6.408 3.026 2.228 122 1HB PHE 18 2HB PHE 18 -4.770 3.246 -0.301 123 2HB PHE 18 1HB PHE 18 -4.211 3.479 1.352 124 HD1 PHE 18 1HD PHE 18 -3.684 1.618 2.757 125 HD2 PHE 18 2HD PHE 18 -5.269 1.007 -1.145 126 HE1 PHE 18 1HE PHE 18 -3.070 -0.761 2.885 127 HE2 PHE 18 2HE PHE 18 -4.658 -1.374 -1.024 128 HZ PHE 18 HZ PHE 18 -3.557 -2.261 0.993 129 H ASN 19 H ASN 19 -6.561 5.094 2.845 130 HA ASN 19 HA ASN 19 -7.864 6.976 1.112 131 1HB ASN 19 2HB ASN 19 -6.880 7.082 3.956 132 2HB ASN 19 1HB ASN 19 -7.498 8.518 3.144 133 1HD2 ASN 19 1HD2 ASN 19 -8.362 5.134 3.750 134 2HD2 ASN 19 2HD2 ASN 19 -10.045 5.429 4.002 135 H TYR 20 H TYR 20 -4.605 6.370 2.178 136 HA TYR 20 HA TYR 20 -3.694 8.854 0.898 137 1HB TYR 20 2HB TYR 20 -2.105 6.989 2.669 138 2HB TYR 20 1HB TYR 20 -1.635 8.598 2.129 139 HD1 TYR 20 1HD TYR 20 -3.187 10.552 2.868 140 HD2 TYR 20 2HD TYR 20 -3.143 6.726 4.729 141 HE1 TYR 20 1HE TYR 20 -4.202 11.528 4.884 142 HE2 TYR 20 2HE TYR 20 -4.160 7.691 6.750 143 HH TYR 20 HH TYR 20 -4.149 10.710 7.552 144 H VAL 21 H VAL 21 -2.608 8.805 -0.964 145 HA VAL 21 HA VAL 21 -2.416 6.458 -2.500 146 HB VAL 21 HB VAL 21 -0.882 9.032 -2.906 147 1HG1 VAL 21 1HG1 VAL 21 0.107 7.650 -4.423 148 2HG1 VAL 21 2HG1 VAL 21 -1.293 8.146 -5.374 149 3HG1 VAL 21 3HG1 VAL 21 -1.298 6.591 -4.541 150 1HG2 VAL 21 1HG2 VAL 21 -3.446 9.149 -2.697 151 2HG2 VAL 21 2HG2 VAL 21 -3.464 8.323 -4.255 152 3HG2 VAL 21 3HG2 VAL 21 -2.687 9.898 -4.101 153 H LYS 22 H LYS 22 -0.099 8.144 -0.459 154 HA LYS 22 HA LYS 22 2.250 6.871 -1.223 155 1HB LYS 22 2HB LYS 22 3.032 7.349 1.107 156 2HB LYS 22 1HB LYS 22 2.342 8.737 0.278 157 1HG LYS 22 2HG LYS 22 1.279 8.985 2.251 158 2HG LYS 22 1HG LYS 22 0.144 7.859 1.505 159 1HD LYS 22 2HD LYS 22 0.461 6.746 3.458 160 2HD LYS 22 1HD LYS 22 1.844 6.095 2.575 161 1HE LYS 22 2HE LYS 22 2.376 6.884 4.882 162 2HE LYS 22 1HE LYS 22 3.328 7.654 3.612 163 1HZ LYS 22 1HZ LYS 22 0.854 8.952 4.509 164 2HZ LYS 22 2HZ LYS 22 2.272 9.644 3.899 165 3HZ LYS 22 3HZ LYS 22 2.230 9.066 5.487 166 H THR 23 H THR 23 -0.385 5.742 0.761 167 HA THR 23 HA THR 23 0.916 3.521 1.929 168 HB THR 23 HB THR 23 -2.021 3.651 1.279 169 HG1 THR 23 1HG THR 23 -0.585 5.023 3.290 170 1HG2 THR 23 1HG2 THR 23 -0.428 2.369 3.471 171 2HG2 THR 23 2HG2 THR 23 -1.520 1.607 2.314 172 3HG2 THR 23 3HG2 THR 23 -2.167 2.641 3.590 173 H TYR 24 H TYR 24 -1.162 3.822 -0.941 174 HA TYR 24 HA TYR 24 -1.076 1.119 -1.696 175 1HB TYR 24 2HB TYR 24 -2.560 3.087 -2.566 176 2HB TYR 24 1HB TYR 24 -1.258 3.322 -3.727 177 HD1 TYR 24 1HD TYR 24 -3.539 0.676 -2.419 178 HD2 TYR 24 2HD TYR 24 -1.274 2.123 -5.715 179 HE1 TYR 24 1HE TYR 24 -4.502 -1.081 -3.844 180 HE2 TYR 24 2HE TYR 24 -2.231 0.372 -7.150 181 HH TYR 24 HH TYR 24 -3.453 -2.251 -6.285 182 H LEU 25 H LEU 25 1.111 3.786 -2.260 183 HA LEU 25 HA LEU 25 2.664 2.572 -4.287 184 1HB LEU 25 2HB LEU 25 2.980 4.868 -2.438 185 2HB LEU 25 1HB LEU 25 4.451 4.205 -3.123 186 HG LEU 25 HG LEU 25 3.649 4.630 -5.373 187 1HD1 LEU 25 1HD1 LEU 25 1.191 5.851 -4.135 188 2HD1 LEU 25 2HD1 LEU 25 1.239 4.233 -4.836 189 3HD1 LEU 25 3HD1 LEU 25 1.545 5.643 -5.850 190 1HD2 LEU 25 1HD2 LEU 25 4.811 6.482 -4.681 191 2HD2 LEU 25 2HD2 LEU 25 3.675 6.846 -3.382 192 3HD2 LEU 25 3HD2 LEU 25 3.245 7.203 -5.055 193 H ALA 26 H ALA 26 3.467 3.064 -0.864 194 HA ALA 26 HA ALA 26 5.640 1.306 -0.836 195 1HB ALA 26 1HB ALA 26 4.955 1.285 1.740 196 2HB ALA 26 2HB ALA 26 4.002 2.670 1.212 197 3HB ALA 26 3HB ALA 26 5.749 2.662 0.978 198 H HIS 27 H HIS 27 2.273 0.725 -0.814 199 HA HIS 27 HA HIS 27 2.278 -1.784 0.527 200 1HB HIS 27 2HB HIS 27 0.226 -0.490 0.331 201 2HB HIS 27 1HB HIS 27 0.305 -0.578 -1.425 202 HD1 HIS 27 1HD HIS 27 -0.790 -2.499 1.564 203 HD2 HIS 27 2HD HIS 27 -0.342 -3.095 -2.523 204 HE1 HIS 27 1HE HIS 27 -2.041 -4.627 1.016 205 H LYS 28 H LYS 28 2.033 -0.938 -2.931 206 HA LYS 28 HA LYS 28 2.307 -3.630 -3.802 207 1HB LYS 28 2HB LYS 28 2.305 -0.953 -5.115 208 2HB LYS 28 1HB LYS 28 2.950 -2.316 -6.019 209 1HG LYS 28 2HG LYS 28 0.688 -3.440 -5.247 210 2HG LYS 28 1HG LYS 28 0.170 -1.757 -5.147 211 1HD LYS 28 2HD LYS 28 1.633 -2.540 -7.593 212 2HD LYS 28 1HD LYS 28 0.017 -3.220 -7.394 213 1HE LYS 28 2HE LYS 28 -1.004 -1.215 -7.645 214 2HE LYS 28 1HE LYS 28 0.294 -0.335 -6.840 215 1HZ LYS 28 1HZ LYS 28 1.540 -0.243 -8.783 216 2HZ LYS 28 2HZ LYS 28 -0.038 0.029 -9.328 217 3HZ LYS 28 3HZ LYS 28 0.674 -1.491 -9.530 218 H GLN 29 H GLN 29 4.545 -1.397 -2.605 219 HA GLN 29 HA GLN 29 6.819 -2.126 -4.142 220 1HB GLN 29 2HB GLN 29 6.355 -0.644 -1.592 221 2HB GLN 29 1HB GLN 29 7.984 -1.194 -1.958 222 1HG GLN 29 2HG GLN 29 6.279 0.622 -3.647 223 2HG GLN 29 1HG GLN 29 7.690 1.080 -2.693 224 1HE2 GLN 29 1HE2 GLN 29 6.609 0.243 -5.713 225 2HE2 GLN 29 2HE2 GLN 29 8.121 -0.157 -6.448 226 H PHE 30 H PHE 30 6.087 -2.851 -0.715 227 HA PHE 30 HA PHE 30 7.073 -5.566 -1.102 228 1HB PHE 30 2HB PHE 30 8.370 -5.085 1.175 229 2HB PHE 30 1HB PHE 30 9.119 -4.863 -0.401 230 HD1 PHE 30 1HD PHE 30 7.454 -3.104 2.388 231 HD2 PHE 30 2HD PHE 30 9.849 -2.740 -1.110 232 HE1 PHE 30 1HE PHE 30 7.912 -0.753 2.951 233 HE2 PHE 30 2HE PHE 30 10.312 -0.388 -0.554 234 HZ PHE 30 HZ PHE 30 9.341 0.608 1.479 235 H TYR 31 H TYR 31 4.563 -3.979 -0.214 236 HA TYR 31 HA TYR 31 4.140 -5.376 2.341 237 1HB TYR 31 2HB TYR 31 3.663 -2.729 1.677 238 2HB TYR 31 1HB TYR 31 2.068 -3.468 1.581 239 HD1 TYR 31 1HD TYR 31 5.003 -3.075 3.831 240 HD2 TYR 31 2HD TYR 31 0.837 -3.882 3.527 241 HE1 TYR 31 1HE TYR 31 4.807 -2.951 6.279 242 HE2 TYR 31 2HE TYR 31 0.629 -3.759 5.975 243 HH TYR 31 HH TYR 31 2.396 -2.374 7.904 244 H CYS 32 H CYS 32 3.259 -5.331 -0.952 245 HA CYS 32 HA CYS 32 0.776 -6.797 -0.496 246 1HB CYS 32 2HB CYS 32 0.987 -4.938 -2.214 247 2HB CYS 32 1HB CYS 32 1.997 -6.034 -3.148 248 H LYS 33 H LYS 33 0.818 -8.940 -0.353 249 HA LYS 33 HA LYS 33 3.098 -10.398 -1.472 250 1HB LYS 33 2HB LYS 33 0.957 -11.436 0.388 251 2HB LYS 33 1HB LYS 33 2.480 -12.215 -0.014 252 1HG LYS 33 2HG LYS 33 3.699 -10.864 1.359 253 2HG LYS 33 1HG LYS 33 2.574 -9.511 1.210 254 1HD LYS 33 2HD LYS 33 1.471 -11.915 2.496 255 2HD LYS 33 1HD LYS 33 2.768 -11.118 3.389 256 1HE LYS 33 2HE LYS 33 1.036 -9.905 4.200 257 2HE LYS 33 1HE LYS 33 1.327 -8.968 2.735 258 1HZ LYS 33 1HZ LYS 33 -0.944 -9.347 2.709 259 2HZ LYS 33 2HZ LYS 33 -0.805 -10.935 3.273 260 3HZ LYS 33 3HZ LYS 33 -0.360 -10.561 1.686 261 H ASN 34 H ASN 34 0.797 -9.364 -3.055 262 HA ASN 34 HA ASN 34 -0.678 -10.033 -4.665 263 1HB ASN 34 2HB ASN 34 1.520 -10.762 -5.586 264 2HB ASN 34 1HB ASN 34 1.242 -12.358 -4.896 265 1HD2 ASN 34 1HD2 ASN 34 1.535 -12.961 -7.181 266 2HD2 ASN 34 2HD2 ASN 34 0.147 -12.955 -8.209 267 H LYS 35 H LYS 35 -1.749 -10.653 -2.285 268 HA LYS 35 HA LYS 35 -3.339 -12.977 -2.920 269 1HB LYS 35 2HB LYS 35 -1.131 -13.279 -1.191 270 2HB LYS 35 1HB LYS 35 -2.557 -13.280 -0.164 271 1HG LYS 35 2HG LYS 35 -3.278 -15.266 -0.935 272 2HG LYS 35 1HG LYS 35 -2.735 -14.945 -2.583 273 1HD LYS 35 2HD LYS 35 -1.168 -16.491 -2.096 274 2HD LYS 35 1HD LYS 35 -0.359 -15.136 -1.306 275 1HE LYS 35 2HE LYS 35 -0.375 -16.973 0.222 276 2HE LYS 35 1HE LYS 35 -1.524 -15.771 0.808 277 1HZ LYS 35 1HZ LYS 35 -2.779 -17.639 0.993 278 2HZ LYS 35 2HZ LYS 35 -2.019 -18.435 -0.292 279 3HZ LYS 35 3HZ LYS 35 -3.169 -17.235 -0.604 280 HA PRO 36 HA PRO 36 -6.434 -10.537 -0.944 281 1HB PRO 36 2HB PRO 36 -8.192 -12.449 -0.157 282 2HB PRO 36 1HB PRO 36 -7.985 -11.974 -1.846 283 1HG PRO 36 2HG PRO 36 -6.844 -14.326 -0.387 284 2HG PRO 36 1HG PRO 36 -7.558 -14.255 -2.008 285 1HD PRO 36 2HD PRO 36 -4.883 -14.275 -1.595 286 2HD PRO 36 1HD PRO 36 -5.631 -13.419 -2.958 Start of MODEL 11 1 1H GLY 1 1HT GLY 1 -19.699 12.866 -0.565 2 2H GLY 1 2HT GLY 1 -20.727 12.229 -1.746 3 3H GLY 1 3HT GLY 1 -20.155 13.814 -1.890 4 1HA GLY 1 1HA GLY 1 -17.839 12.529 -1.757 5 2HA GLY 1 2HA GLY 1 -18.840 11.294 -2.507 6 H SER 2 H SER 2 -16.758 13.707 -3.174 7 HA SER 2 HA SER 2 -17.874 14.056 -5.867 8 1HB SER 2 2HB SER 2 -16.672 16.433 -5.613 9 2HB SER 2 1HB SER 2 -18.358 16.181 -5.160 10 HG SER 2 HG SER 2 -17.756 16.820 -3.259 11 H ALA 3 H ALA 3 -16.089 15.147 -7.302 12 HA ALA 3 HA ALA 3 -14.088 14.904 -8.358 13 1HB ALA 3 1HB ALA 3 -13.454 15.804 -5.935 14 2HB ALA 3 2HB ALA 3 -12.233 15.380 -7.135 15 3HB ALA 3 3HB ALA 3 -12.646 14.238 -5.857 16 H ALA 4 H ALA 4 -14.533 13.043 -9.505 17 HA ALA 4 HA ALA 4 -14.511 10.434 -8.471 18 1HB ALA 4 1HB ALA 4 -14.139 9.784 -10.902 19 2HB ALA 4 2HB ALA 4 -14.147 11.512 -11.252 20 3HB ALA 4 3HB ALA 4 -15.572 10.749 -10.546 21 H GLU 5 H GLU 5 -12.077 11.729 -10.728 22 HA GLU 5 HA GLU 5 -9.839 11.378 -10.920 23 1HB GLU 5 2HB GLU 5 -9.843 12.438 -8.669 24 2HB GLU 5 1HB GLU 5 -9.958 10.839 -7.947 25 1HG GLU 5 2HG GLU 5 -7.804 10.231 -8.789 26 2HG GLU 5 1HG GLU 5 -7.701 11.718 -9.730 27 H VAL 6 H VAL 6 -8.119 9.717 -10.774 28 HA VAL 6 HA VAL 6 -9.108 7.177 -11.473 29 HB VAL 6 HB VAL 6 -6.289 7.822 -10.600 30 1HG1 VAL 6 1HG1 VAL 6 -5.847 5.981 -12.351 31 2HG1 VAL 6 2HG1 VAL 6 -7.545 5.567 -12.119 32 3HG1 VAL 6 3HG1 VAL 6 -6.429 5.506 -10.754 33 1HG2 VAL 6 1HG2 VAL 6 -6.895 7.739 -13.470 34 2HG2 VAL 6 2HG2 VAL 6 -5.862 8.839 -12.557 35 3HG2 VAL 6 3HG2 VAL 6 -7.604 9.103 -12.606 36 H MET 7 H MET 7 -8.658 5.126 -10.420 37 HA MET 7 HA MET 7 -8.881 5.352 -7.502 38 1HB MET 7 2HB MET 7 -9.876 3.081 -7.599 39 2HB MET 7 1HB MET 7 -10.792 4.268 -8.516 40 1HG MET 7 2HG MET 7 -10.310 3.309 -10.513 41 2HG MET 7 1HG MET 7 -8.740 2.714 -9.976 42 1HE MET 7 1HE MET 7 -8.154 0.753 -9.465 43 2HE MET 7 2HE MET 7 -9.101 -0.733 -9.542 44 3HE MET 7 3HE MET 7 -8.920 0.120 -8.009 45 H LYS 8 H LYS 8 -6.441 5.696 -7.913 46 HA LYS 8 HA LYS 8 -5.002 3.161 -8.115 47 1HB LYS 8 2HB LYS 8 -2.967 4.676 -7.998 48 2HB LYS 8 1HB LYS 8 -3.991 4.859 -9.415 49 1HG LYS 8 2HG LYS 8 -4.933 6.871 -8.585 50 2HG LYS 8 1HG LYS 8 -4.208 6.627 -6.994 51 1HD LYS 8 2HD LYS 8 -1.980 6.885 -7.963 52 2HD LYS 8 1HD LYS 8 -2.695 7.105 -9.562 53 1HE LYS 8 2HE LYS 8 -3.593 8.882 -7.351 54 2HE LYS 8 1HE LYS 8 -2.002 9.164 -8.057 55 1HZ LYS 8 1HZ LYS 8 -4.615 9.175 -9.464 56 2HZ LYS 8 2HZ LYS 8 -3.122 9.230 -10.259 57 3HZ LYS 8 3HZ LYS 8 -3.574 10.488 -9.222 58 H LYS 9 H LYS 9 -6.504 3.140 -5.904 59 HA LYS 9 HA LYS 9 -4.554 2.897 -3.827 60 1HB LYS 9 2HB LYS 9 -5.936 4.412 -2.254 61 2HB LYS 9 1HB LYS 9 -4.806 5.167 -3.367 62 1HG LYS 9 2HG LYS 9 -6.692 6.489 -3.554 63 2HG LYS 9 1HG LYS 9 -6.841 5.396 -4.932 64 1HD LYS 9 2HD LYS 9 -8.525 4.145 -3.909 65 2HD LYS 9 1HD LYS 9 -8.118 4.743 -2.299 66 1HE LYS 9 2HE LYS 9 -8.973 6.935 -2.858 67 2HE LYS 9 1HE LYS 9 -9.283 6.421 -4.517 68 1HZ LYS 9 1HZ LYS 9 -10.785 4.681 -3.470 69 2HZ LYS 9 2HZ LYS 9 -11.335 6.281 -3.448 70 3HZ LYS 9 3HZ LYS 9 -10.682 5.592 -2.048 71 H TYR 10 H TYR 10 -5.914 0.899 -4.817 72 HA TYR 10 HA TYR 10 -7.459 -0.058 -2.619 73 1HB TYR 10 2HB TYR 10 -9.185 1.272 -3.777 74 2HB TYR 10 1HB TYR 10 -8.895 0.353 -5.251 75 HD1 TYR 10 1HD TYR 10 -9.214 -2.231 -5.058 76 HD2 TYR 10 2HD TYR 10 -10.844 0.580 -2.311 77 HE1 TYR 10 1HE TYR 10 -10.882 -3.895 -4.354 78 HE2 TYR 10 2HE TYR 10 -12.516 -1.076 -1.599 79 HH TYR 10 HH TYR 10 -13.610 -3.223 -2.801 80 H CYS 11 H CYS 11 -6.453 -1.964 -2.447 81 HA CYS 11 HA CYS 11 -5.657 -3.430 -4.823 82 1HB CYS 11 2HB CYS 11 -4.332 -3.146 -2.573 83 2HB CYS 11 1HB CYS 11 -5.327 -4.499 -2.045 84 H SER 12 H SER 12 -7.399 -4.333 -5.788 85 HA SER 12 HA SER 12 -9.622 -5.435 -4.467 86 1HB SER 12 2HB SER 12 -9.825 -6.707 -6.765 87 2HB SER 12 1HB SER 12 -10.064 -4.961 -6.692 88 HG SER 12 HG SER 12 -8.490 -4.829 -8.061 89 H THR 13 H THR 13 -6.555 -6.814 -5.468 90 HA THR 13 HA THR 13 -7.199 -9.530 -5.147 91 HB THR 13 HB THR 13 -4.461 -8.499 -4.511 92 HG1 THR 13 1HG THR 13 -4.189 -7.701 -6.431 93 1HG2 THR 13 1HG2 THR 13 -5.451 -10.804 -6.169 94 2HG2 THR 13 2HG2 THR 13 -4.727 -10.893 -4.563 95 3HG2 THR 13 3HG2 THR 13 -3.759 -10.363 -5.940 96 H CYS 14 H CYS 14 -5.623 -7.264 -2.894 97 HA CYS 14 HA CYS 14 -5.664 -9.135 -0.735 98 1HB CYS 14 2HB CYS 14 -5.063 -6.179 -0.877 99 2HB CYS 14 1HB CYS 14 -4.940 -7.125 0.597 100 H ASP 15 H ASP 15 -7.755 -6.614 -1.913 101 HA ASP 15 HA ASP 15 -9.971 -6.249 -1.467 102 1HB ASP 15 2HB ASP 15 -9.830 -8.690 -0.489 103 2HB ASP 15 1HB ASP 15 -9.919 -7.853 1.057 104 H ILE 16 H ILE 16 -8.015 -4.468 -0.698 105 HA ILE 16 HA ILE 16 -9.352 -3.170 1.546 106 HB ILE 16 HB ILE 16 -6.345 -3.316 1.524 107 1HG1 ILE 16 2HG1 ILE 16 -6.907 -4.793 3.659 108 2HG1 ILE 16 1HG1 ILE 16 -8.349 -5.172 2.724 109 1HG2 ILE 16 1HG2 ILE 16 -8.419 -2.175 3.328 110 2HG2 ILE 16 2HG2 ILE 16 -6.895 -1.479 2.777 111 3HG2 ILE 16 3HG2 ILE 16 -6.894 -2.734 4.016 112 1HD1 ILE 16 1HD1 ILE 16 -5.491 -5.767 2.101 113 2HD1 ILE 16 2HD1 ILE 16 -6.712 -5.732 0.830 114 3HD1 ILE 16 3HD1 ILE 16 -6.870 -6.863 2.174 115 H SER 17 H SER 17 -8.655 -0.882 1.774 116 HA SER 17 HA SER 17 -7.588 0.256 -0.713 117 1HB SER 17 2HB SER 17 -10.204 0.271 -0.445 118 2HB SER 17 1HB SER 17 -9.885 1.612 0.655 119 HG SER 17 HG SER 17 -9.897 2.715 -1.144 120 H PHE 18 H PHE 18 -7.073 2.632 -0.425 121 HA PHE 18 HA PHE 18 -6.379 3.323 2.332 122 1HB PHE 18 2HB PHE 18 -4.358 3.603 0.114 123 2HB PHE 18 1HB PHE 18 -4.101 3.763 1.848 124 HD1 PHE 18 1HD PHE 18 -3.912 1.804 3.265 125 HD2 PHE 18 2HD PHE 18 -4.490 1.438 -0.935 126 HE1 PHE 18 1HE PHE 18 -3.262 -0.567 3.386 127 HE2 PHE 18 2HE PHE 18 -3.841 -0.934 -0.822 128 HZ PHE 18 HZ PHE 18 -3.226 -1.938 1.341 129 H ASN 19 H ASN 19 -6.608 5.435 2.797 130 HA ASN 19 HA ASN 19 -7.879 7.137 0.903 131 1HB ASN 19 2HB ASN 19 -6.716 7.829 3.610 132 2HB ASN 19 1HB ASN 19 -7.846 8.814 2.687 133 1HD2 ASN 19 1HD2 ASN 19 -7.554 6.565 5.096 134 2HD2 ASN 19 2HD2 ASN 19 -9.189 6.012 5.160 135 H TYR 20 H TYR 20 -4.594 6.655 1.909 136 HA TYR 20 HA TYR 20 -3.755 9.034 0.396 137 1HB TYR 20 2HB TYR 20 -2.191 7.403 2.408 138 2HB TYR 20 1HB TYR 20 -1.621 8.857 1.594 139 HD1 TYR 20 1HD TYR 20 -3.605 10.818 1.813 140 HD2 TYR 20 2HD TYR 20 -2.671 7.767 4.626 141 HE1 TYR 20 1HE TYR 20 -4.549 12.200 3.615 142 HE2 TYR 20 2HE TYR 20 -3.613 9.139 6.436 143 HH TYR 20 HH TYR 20 -5.460 11.961 5.832 144 H VAL 21 H VAL 21 -2.700 8.808 -1.471 145 HA VAL 21 HA VAL 21 -2.502 6.357 -2.794 146 HB VAL 21 HB VAL 21 -0.828 8.796 -3.399 147 1HG1 VAL 21 1HG1 VAL 21 -0.034 7.308 -4.903 148 2HG1 VAL 21 2HG1 VAL 21 -1.497 7.748 -5.781 149 3HG1 VAL 21 3HG1 VAL 21 -1.463 6.280 -4.805 150 1HG2 VAL 21 1HG2 VAL 21 -2.837 9.826 -3.510 151 2HG2 VAL 21 2HG2 VAL 21 -3.726 8.312 -3.680 152 3HG2 VAL 21 3HG2 VAL 21 -2.916 9.020 -5.077 153 H LYS 22 H LYS 22 -0.166 8.113 -0.838 154 HA LYS 22 HA LYS 22 2.159 6.734 -1.486 155 1HB LYS 22 2HB LYS 22 1.201 8.229 0.901 156 2HB LYS 22 1HB LYS 22 2.617 7.209 1.105 157 1HG LYS 22 2HG LYS 22 3.200 9.530 0.581 158 2HG LYS 22 1HG LYS 22 3.777 8.401 -0.646 159 1HD LYS 22 2HD LYS 22 2.086 9.036 -2.166 160 2HD LYS 22 1HD LYS 22 1.169 9.875 -0.912 161 1HE LYS 22 2HE LYS 22 2.455 11.342 -2.519 162 2HE LYS 22 1HE LYS 22 2.738 11.635 -0.804 163 1HZ LYS 22 1HZ LYS 22 4.851 10.867 -0.926 164 2HZ LYS 22 2HZ LYS 22 4.704 11.389 -2.527 165 3HZ LYS 22 3HZ LYS 22 4.515 9.751 -2.151 166 H THR 23 H THR 23 -0.499 5.835 0.606 167 HA THR 23 HA THR 23 0.723 3.642 1.890 168 HB THR 23 HB THR 23 -2.202 3.678 1.248 169 HG1 THR 23 1HG THR 23 -2.536 5.425 2.365 170 1HG2 THR 23 1HG2 THR 23 -1.506 1.872 2.643 171 2HG2 THR 23 2HG2 THR 23 -2.387 3.036 3.635 172 3HG2 THR 23 3HG2 THR 23 -0.626 2.969 3.707 173 H TYR 24 H TYR 24 -1.350 3.830 -0.993 174 HA TYR 24 HA TYR 24 -1.365 1.093 -1.592 175 1HB TYR 24 2HB TYR 24 -2.756 3.048 -2.603 176 2HB TYR 24 1HB TYR 24 -1.417 3.197 -3.737 177 HD1 TYR 24 1HD TYR 24 -3.323 0.325 -2.273 178 HD2 TYR 24 2HD TYR 24 -1.900 2.264 -5.782 179 HE1 TYR 24 1HE TYR 24 -4.296 -1.465 -3.649 180 HE2 TYR 24 2HE TYR 24 -2.871 0.480 -7.169 181 HH TYR 24 HH TYR 24 -3.577 -1.829 -6.970 182 H LEU 25 H LEU 25 0.939 3.624 -2.287 183 HA LEU 25 HA LEU 25 2.478 2.192 -4.189 184 1HB LEU 25 2HB LEU 25 2.852 4.632 -2.537 185 2HB LEU 25 1HB LEU 25 4.297 3.873 -3.178 186 HG LEU 25 HG LEU 25 3.481 4.136 -5.449 187 1HD1 LEU 25 1HD1 LEU 25 1.099 5.604 -4.358 188 2HD1 LEU 25 2HD1 LEU 25 1.049 3.888 -4.761 189 3HD1 LEU 25 3HD1 LEU 25 1.403 5.078 -6.013 190 1HD2 LEU 25 1HD2 LEU 25 3.337 6.632 -3.770 191 2HD2 LEU 25 2HD2 LEU 25 3.393 6.631 -5.533 192 3HD2 LEU 25 3HD2 LEU 25 4.745 5.976 -4.606 193 H ALA 26 H ALA 26 3.105 2.894 -0.767 194 HA ALA 26 HA ALA 26 5.302 1.187 -0.507 195 1HB ALA 26 1HB ALA 26 4.233 3.046 1.082 196 2HB ALA 26 2HB ALA 26 5.336 1.804 1.675 197 3HB ALA 26 3HB ALA 26 3.594 1.603 1.869 198 H HIS 27 H HIS 27 1.949 0.538 -0.687 199 HA HIS 27 HA HIS 27 1.937 -1.940 0.724 200 1HB HIS 27 2HB HIS 27 -0.129 -0.702 0.441 201 2HB HIS 27 1HB HIS 27 0.021 -0.778 -1.309 202 HD1 HIS 27 1HD HIS 27 -1.209 -2.704 1.611 203 HD2 HIS 27 2HD HIS 27 -0.500 -3.327 -2.435 204 HE1 HIS 27 1HE HIS 27 -2.403 -4.849 1.003 205 H LYS 28 H LYS 28 1.620 -1.246 -2.768 206 HA LYS 28 HA LYS 28 2.022 -3.916 -3.570 207 1HB LYS 28 2HB LYS 28 2.525 -2.874 -5.825 208 2HB LYS 28 1HB LYS 28 0.969 -2.462 -5.117 209 1HG LYS 28 2HG LYS 28 1.480 -0.287 -4.940 210 2HG LYS 28 1HG LYS 28 3.144 -0.611 -4.454 211 1HD LYS 28 2HD LYS 28 3.180 0.498 -6.580 212 2HD LYS 28 1HD LYS 28 3.656 -1.183 -6.825 213 1HE LYS 28 2HE LYS 28 0.777 -0.691 -7.065 214 2HE LYS 28 1HE LYS 28 1.757 0.142 -8.271 215 1HZ LYS 28 1HZ LYS 28 2.336 -1.781 -9.257 216 2HZ LYS 28 2HZ LYS 28 0.917 -2.362 -8.542 217 3HZ LYS 28 3HZ LYS 28 2.414 -2.650 -7.808 218 H GLN 29 H GLN 29 4.216 -1.538 -2.475 219 HA GLN 29 HA GLN 29 6.540 -2.298 -3.870 220 1HB GLN 29 2HB GLN 29 6.091 -0.942 -1.219 221 2HB GLN 29 1HB GLN 29 7.706 -1.276 -1.829 222 1HG GLN 29 2HG GLN 29 5.902 0.090 -3.707 223 2HG GLN 29 1HG GLN 29 6.358 1.011 -2.274 224 1HE2 GLN 29 1HE2 GLN 29 7.188 2.122 -4.449 225 2HE2 GLN 29 2HE2 GLN 29 8.863 1.841 -4.761 226 H PHE 30 H PHE 30 5.782 -2.986 -0.444 227 HA PHE 30 HA PHE 30 6.795 -5.702 -0.801 228 1HB PHE 30 2HB PHE 30 8.001 -5.189 1.525 229 2HB PHE 30 1HB PHE 30 8.804 -4.972 -0.025 230 HD1 PHE 30 1HD PHE 30 7.216 -3.273 2.808 231 HD2 PHE 30 2HD PHE 30 9.332 -2.784 -0.851 232 HE1 PHE 30 1HE PHE 30 7.623 -0.911 3.363 233 HE2 PHE 30 2HE PHE 30 9.744 -0.421 -0.302 234 HZ PHE 30 HZ PHE 30 8.889 0.518 1.808 235 H TYR 31 H TYR 31 4.252 -4.095 0.036 236 HA TYR 31 HA TYR 31 3.734 -5.575 2.525 237 1HB TYR 31 2HB TYR 31 3.342 -2.884 1.952 238 2HB TYR 31 1HB TYR 31 1.729 -3.580 1.832 239 HD1 TYR 31 1HD TYR 31 4.649 -4.158 4.101 240 HD2 TYR 31 2HD TYR 31 0.516 -3.213 3.753 241 HE1 TYR 31 1HE TYR 31 4.457 -4.117 6.552 242 HE2 TYR 31 2HE TYR 31 0.313 -3.169 6.202 243 HH TYR 31 HH TYR 31 2.554 -4.458 8.257 244 H CYS 32 H CYS 32 3.054 -5.545 -0.770 245 HA CYS 32 HA CYS 32 0.430 -6.786 -0.472 246 1HB CYS 32 2HB CYS 32 0.894 -5.029 -2.227 247 2HB CYS 32 1HB CYS 32 1.926 -6.207 -3.030 248 H LYS 33 H LYS 33 -0.045 -8.823 -1.501 249 HA LYS 33 HA LYS 33 2.219 -10.670 -1.312 250 1HB LYS 33 2HB LYS 33 0.497 -12.436 -1.198 251 2HB LYS 33 1HB LYS 33 0.296 -11.224 0.061 252 1HG LYS 33 2HG LYS 33 -1.822 -11.054 -0.562 253 2HG LYS 33 1HG LYS 33 -1.256 -10.306 -2.056 254 1HD LYS 33 2HD LYS 33 -2.742 -12.158 -2.559 255 2HD LYS 33 1HD LYS 33 -1.102 -12.534 -3.090 256 1HE LYS 33 2HE LYS 33 -1.056 -13.532 -0.577 257 2HE LYS 33 1HE LYS 33 -2.751 -13.779 -0.992 258 1HZ LYS 33 1HZ LYS 33 -1.614 -14.693 -3.191 259 2HZ LYS 33 2HZ LYS 33 -1.907 -15.676 -1.847 260 3HZ LYS 33 3HZ LYS 33 -0.364 -15.029 -2.101 261 H ASN 34 H ASN 34 1.747 -8.928 -3.642 262 HA ASN 34 HA ASN 34 1.574 -11.046 -5.676 263 1HB ASN 34 2HB ASN 34 -0.451 -9.387 -5.470 264 2HB ASN 34 1HB ASN 34 0.628 -8.273 -6.306 265 1HD2 ASN 34 1HD2 ASN 34 1.717 -9.285 -8.274 266 2HD2 ASN 34 2HD2 ASN 34 0.690 -10.203 -9.316 267 H LYS 35 H LYS 35 3.911 -11.037 -5.463 268 HA LYS 35 HA LYS 35 6.002 -10.507 -6.181 269 1HB LYS 35 2HB LYS 35 4.925 -10.476 -8.387 270 2HB LYS 35 1HB LYS 35 4.494 -8.786 -8.159 271 1HG LYS 35 2HG LYS 35 6.576 -8.047 -8.624 272 2HG LYS 35 1HG LYS 35 7.356 -9.452 -7.893 273 1HD LYS 35 2HD LYS 35 5.789 -10.010 -10.320 274 2HD LYS 35 1HD LYS 35 7.213 -8.996 -10.562 275 1HE LYS 35 2HE LYS 35 7.250 -11.637 -9.114 276 2HE LYS 35 1HE LYS 35 7.619 -11.450 -10.828 277 1HZ LYS 35 1HZ LYS 35 9.485 -11.399 -8.989 278 2HZ LYS 35 2HZ LYS 35 9.074 -9.759 -8.941 279 3HZ LYS 35 3HZ LYS 35 9.596 -10.457 -10.390 280 HA PRO 36 HA PRO 36 6.036 -6.644 -3.668 281 1HB PRO 36 2HB PRO 36 8.117 -7.399 -2.098 282 2HB PRO 36 1HB PRO 36 6.445 -7.871 -1.767 283 1HG PRO 36 2HG PRO 36 8.628 -9.434 -3.092 284 2HG PRO 36 1HG PRO 36 7.447 -9.967 -1.881 285 1HD PRO 36 2HD PRO 36 7.164 -10.492 -4.523 286 2HD PRO 36 1HD PRO 36 5.775 -10.235 -3.446 Start of MODEL 12 1 1H GLY 1 1HT GLY 1 -17.551 3.256 -11.032 2 2H GLY 1 2HT GLY 1 -17.634 1.955 -12.108 3 3H GLY 1 3HT GLY 1 -19.042 2.527 -11.364 4 1HA GLY 1 1HA GLY 1 -18.972 3.282 -13.638 5 2HA GLY 1 2HA GLY 1 -18.836 4.637 -12.527 6 H SER 2 H SER 2 -17.618 3.343 -15.292 7 HA SER 2 HA SER 2 -14.842 3.991 -14.951 8 1HB SER 2 2HB SER 2 -16.562 2.996 -17.163 9 2HB SER 2 1HB SER 2 -15.081 3.838 -17.621 10 HG SER 2 HG SER 2 -14.013 2.354 -16.106 11 H ALA 3 H ALA 3 -13.708 5.643 -16.144 12 HA ALA 3 HA ALA 3 -13.336 7.798 -16.772 13 1HB ALA 3 1HB ALA 3 -16.160 7.894 -17.789 14 2HB ALA 3 2HB ALA 3 -14.888 7.008 -18.631 15 3HB ALA 3 3HB ALA 3 -14.742 8.749 -18.394 16 H ALA 4 H ALA 4 -14.407 7.227 -14.126 17 HA ALA 4 HA ALA 4 -15.552 9.876 -13.553 18 1HB ALA 4 1HB ALA 4 -17.100 9.006 -12.007 19 2HB ALA 4 2HB ALA 4 -16.345 7.413 -12.024 20 3HB ALA 4 3HB ALA 4 -17.239 7.981 -13.435 21 H GLU 5 H GLU 5 -13.355 10.486 -13.089 22 HA GLU 5 HA GLU 5 -11.650 10.970 -11.666 23 1HB GLU 5 2HB GLU 5 -13.536 11.341 -10.076 24 2HB GLU 5 1HB GLU 5 -13.375 9.671 -9.552 25 1HG GLU 5 2HG GLU 5 -10.858 10.467 -9.177 26 2HG GLU 5 1HG GLU 5 -11.676 12.016 -8.974 27 H VAL 6 H VAL 6 -9.764 10.047 -10.870 28 HA VAL 6 HA VAL 6 -9.360 7.296 -11.566 29 HB VAL 6 HB VAL 6 -7.428 9.115 -10.130 30 1HG1 VAL 6 1HG1 VAL 6 -6.615 6.918 -10.030 31 2HG1 VAL 6 2HG1 VAL 6 -5.783 7.639 -11.407 32 3HG1 VAL 6 3HG1 VAL 6 -7.148 6.554 -11.671 33 1HG2 VAL 6 1HG2 VAL 6 -6.518 9.440 -12.503 34 2HG2 VAL 6 2HG2 VAL 6 -7.972 10.332 -12.053 35 3HG2 VAL 6 3HG2 VAL 6 -8.100 8.879 -13.045 36 H MET 7 H MET 7 -8.696 5.607 -10.193 37 HA MET 7 HA MET 7 -9.120 6.026 -7.319 38 1HB MET 7 2HB MET 7 -10.219 3.643 -8.812 39 2HB MET 7 1HB MET 7 -10.482 4.060 -7.124 40 1HG MET 7 2HG MET 7 -11.921 5.812 -7.654 41 2HG MET 7 1HG MET 7 -11.362 5.887 -9.324 42 1HE MET 7 1HE MET 7 -13.158 3.157 -11.157 43 2HE MET 7 2HE MET 7 -11.600 3.959 -10.953 44 3HE MET 7 3HE MET 7 -13.053 4.915 -11.249 45 H LYS 8 H LYS 8 -6.699 6.048 -7.668 46 HA LYS 8 HA LYS 8 -5.553 3.378 -7.969 47 1HB LYS 8 2HB LYS 8 -4.192 6.062 -7.666 48 2HB LYS 8 1HB LYS 8 -3.381 4.534 -7.981 49 1HG LYS 8 2HG LYS 8 -5.506 5.258 -9.883 50 2HG LYS 8 1HG LYS 8 -4.079 6.297 -9.890 51 1HD LYS 8 2HD LYS 8 -3.847 3.305 -9.983 52 2HD LYS 8 1HD LYS 8 -4.093 4.257 -11.449 53 1HE LYS 8 2HE LYS 8 -1.821 4.554 -9.487 54 2HE LYS 8 1HE LYS 8 -1.725 3.818 -11.086 55 1HZ LYS 8 1HZ LYS 8 -0.933 5.992 -11.338 56 2HZ LYS 8 2HZ LYS 8 -2.180 6.663 -10.414 57 3HZ LYS 8 3HZ LYS 8 -2.509 6.041 -11.952 58 H LYS 9 H LYS 9 -7.061 3.489 -5.750 59 HA LYS 9 HA LYS 9 -5.064 3.202 -3.650 60 1HB LYS 9 2HB LYS 9 -7.432 5.057 -3.486 61 2HB LYS 9 1HB LYS 9 -6.652 4.412 -2.049 62 1HG LYS 9 2HG LYS 9 -5.548 6.391 -2.245 63 2HG LYS 9 1HG LYS 9 -4.486 5.359 -3.205 64 1HD LYS 9 2HD LYS 9 -4.734 6.929 -4.790 65 2HD LYS 9 1HD LYS 9 -6.302 6.171 -5.070 66 1HE LYS 9 2HE LYS 9 -5.929 8.373 -3.062 67 2HE LYS 9 1HE LYS 9 -6.260 8.705 -4.761 68 1HZ LYS 9 1HZ LYS 9 -8.244 8.625 -3.247 69 2HZ LYS 9 2HZ LYS 9 -7.989 6.958 -3.108 70 3HZ LYS 9 3HZ LYS 9 -8.337 7.636 -4.618 71 H TYR 10 H TYR 10 -6.115 1.092 -4.839 72 HA TYR 10 HA TYR 10 -7.543 -0.217 -2.743 73 1HB TYR 10 2HB TYR 10 -9.269 1.103 -4.244 74 2HB TYR 10 1HB TYR 10 -9.048 -0.267 -5.326 75 HD1 TYR 10 1HD TYR 10 -8.852 -2.542 -3.540 76 HD2 TYR 10 2HD TYR 10 -11.350 0.890 -3.259 77 HE1 TYR 10 1HE TYR 10 -10.478 -3.840 -2.230 78 HE2 TYR 10 2HE TYR 10 -12.983 -0.399 -1.948 79 HH TYR 10 HH TYR 10 -12.484 -2.917 -0.351 80 H CYS 11 H CYS 11 -6.329 -1.998 -2.669 81 HA CYS 11 HA CYS 11 -5.245 -3.169 -5.087 82 1HB CYS 11 2HB CYS 11 -3.940 -2.992 -2.943 83 2HB CYS 11 1HB CYS 11 -5.021 -4.198 -2.253 84 H SER 12 H SER 12 -7.020 -3.974 -6.195 85 HA SER 12 HA SER 12 -9.149 -5.419 -5.196 86 1HB SER 12 2HB SER 12 -9.519 -6.211 -7.435 87 2HB SER 12 1HB SER 12 -8.880 -4.572 -7.552 88 HG SER 12 HG SER 12 -6.881 -5.416 -8.090 89 H THR 13 H THR 13 -5.883 -6.472 -5.837 90 HA THR 13 HA THR 13 -6.369 -9.263 -5.754 91 HB THR 13 HB THR 13 -3.777 -8.001 -4.902 92 HG1 THR 13 1HG THR 13 -3.284 -7.827 -7.134 93 1HG2 THR 13 1HG2 THR 13 -4.314 -10.579 -5.162 94 2HG2 THR 13 2HG2 THR 13 -2.751 -9.891 -5.599 95 3HG2 THR 13 3HG2 THR 13 -3.951 -10.219 -6.849 96 H CYS 14 H CYS 14 -5.658 -6.853 -3.293 97 HA CYS 14 HA CYS 14 -5.576 -8.884 -1.207 98 1HB CYS 14 2HB CYS 14 -4.988 -5.942 -1.315 99 2HB CYS 14 1HB CYS 14 -5.213 -6.755 0.224 100 H ASP 15 H ASP 15 -7.753 -6.595 -2.598 101 HA ASP 15 HA ASP 15 -9.977 -6.238 -2.248 102 1HB ASP 15 2HB ASP 15 -9.744 -8.760 -1.392 103 2HB ASP 15 1HB ASP 15 -10.120 -7.997 0.149 104 H ILE 16 H ILE 16 -8.098 -4.521 -1.178 105 HA ILE 16 HA ILE 16 -9.604 -3.418 1.064 106 HB ILE 16 HB ILE 16 -6.612 -3.491 1.283 107 1HG1 ILE 16 2HG1 ILE 16 -8.541 -5.526 2.427 108 2HG1 ILE 16 1HG1 ILE 16 -7.352 -5.832 1.164 109 1HG2 ILE 16 1HG2 ILE 16 -7.512 -1.899 2.721 110 2HG2 ILE 16 2HG2 ILE 16 -7.310 -3.317 3.750 111 3HG2 ILE 16 3HG2 ILE 16 -8.904 -2.905 3.119 112 1HD1 ILE 16 1HD1 ILE 16 -5.578 -5.732 2.635 113 2HD1 ILE 16 2HD1 ILE 16 -6.832 -6.518 3.594 114 3HD1 ILE 16 3HD1 ILE 16 -6.486 -4.805 3.830 115 H SER 17 H SER 17 -8.948 -1.158 1.543 116 HA SER 17 HA SER 17 -7.771 0.174 -0.804 117 1HB SER 17 2HB SER 17 -9.556 2.034 0.139 118 2HB SER 17 1HB SER 17 -9.852 0.952 -1.222 119 HG SER 17 HG SER 17 -11.325 0.005 -0.078 120 H PHE 18 H PHE 18 -6.825 2.257 -0.386 121 HA PHE 18 HA PHE 18 -6.153 2.727 2.441 122 1HB PHE 18 2HB PHE 18 -4.182 3.082 0.184 123 2HB PHE 18 1HB PHE 18 -3.861 3.116 1.915 124 HD1 PHE 18 1HD PHE 18 -4.962 0.794 3.029 125 HD2 PHE 18 2HD PHE 18 -3.225 1.270 -0.827 126 HE1 PHE 18 1HE PHE 18 -4.428 -1.607 2.978 127 HE2 PHE 18 2HE PHE 18 -2.689 -1.131 -0.885 128 HZ PHE 18 HZ PHE 18 -3.290 -2.573 1.019 129 H ASN 19 H ASN 19 -6.825 4.668 3.041 130 HA ASN 19 HA ASN 19 -7.816 6.633 1.336 131 1HB ASN 19 2HB ASN 19 -8.245 6.398 3.818 132 2HB ASN 19 1HB ASN 19 -6.677 7.152 4.086 133 1HD2 ASN 19 1HD2 ASN 19 -6.359 9.302 3.194 134 2HD2 ASN 19 2HD2 ASN 19 -7.707 10.377 3.097 135 H TYR 20 H TYR 20 -4.584 6.174 2.647 136 HA TYR 20 HA TYR 20 -3.652 8.650 1.420 137 1HB TYR 20 2HB TYR 20 -1.968 6.641 2.909 138 2HB TYR 20 1HB TYR 20 -1.631 8.346 2.630 139 HD1 TYR 20 1HD TYR 20 -3.559 9.955 3.604 140 HD2 TYR 20 2HD TYR 20 -2.655 6.048 5.023 141 HE1 TYR 20 1HE TYR 20 -4.578 10.514 5.771 142 HE2 TYR 20 2HE TYR 20 -3.673 6.594 7.195 143 HH TYR 20 HH TYR 20 -5.437 8.252 8.036 144 H VAL 21 H VAL 21 -2.794 8.716 -0.543 145 HA VAL 21 HA VAL 21 -2.605 6.506 -2.237 146 HB VAL 21 HB VAL 21 -1.037 9.067 -2.545 147 1HG1 VAL 21 1HG1 VAL 21 -0.697 8.499 -4.712 148 2HG1 VAL 21 2HG1 VAL 21 -2.230 7.637 -4.842 149 3HG1 VAL 21 3HG1 VAL 21 -0.850 6.868 -4.057 150 1HG2 VAL 21 1HG2 VAL 21 -3.103 9.685 -3.973 151 2HG2 VAL 21 2HG2 VAL 21 -3.195 9.863 -2.220 152 3HG2 VAL 21 3HG2 VAL 21 -3.935 8.467 -3.005 153 H LYS 22 H LYS 22 -0.165 8.074 -0.227 154 HA LYS 22 HA LYS 22 2.122 6.834 -1.204 155 1HB LYS 22 2HB LYS 22 2.963 7.104 1.208 156 2HB LYS 22 1HB LYS 22 2.475 8.558 0.348 157 1HG LYS 22 2HG LYS 22 0.280 7.349 1.814 158 2HG LYS 22 1HG LYS 22 1.637 7.781 2.853 159 1HD LYS 22 2HD LYS 22 0.371 9.658 0.861 160 2HD LYS 22 1HD LYS 22 -0.066 9.589 2.569 161 1HE LYS 22 2HE LYS 22 2.576 9.840 2.831 162 2HE LYS 22 1HE LYS 22 2.384 10.636 1.269 163 1HZ LYS 22 1HZ LYS 22 0.589 11.392 3.462 164 2HZ LYS 22 2HZ LYS 22 1.165 12.324 2.174 165 3HZ LYS 22 3HZ LYS 22 2.176 11.974 3.483 166 H THR 23 H THR 23 -0.386 5.619 0.893 167 HA THR 23 HA THR 23 0.958 3.328 1.856 168 HB THR 23 HB THR 23 -2.008 3.632 1.386 169 HG1 THR 23 1HG THR 23 -0.375 4.569 3.497 170 1HG2 THR 23 1HG2 THR 23 -0.418 1.947 3.297 171 2HG2 THR 23 2HG2 THR 23 -1.551 1.412 2.055 172 3HG2 THR 23 3HG2 THR 23 -2.143 2.265 3.480 173 H TYR 24 H TYR 24 -1.297 3.792 -0.852 174 HA TYR 24 HA TYR 24 -1.308 1.153 -1.777 175 1HB TYR 24 2HB TYR 24 -2.823 3.088 -2.480 176 2HB TYR 24 1HB TYR 24 -1.523 3.577 -3.560 177 HD1 TYR 24 1HD TYR 24 -3.598 0.586 -2.724 178 HD2 TYR 24 2HD TYR 24 -1.499 2.755 -5.721 179 HE1 TYR 24 1HE TYR 24 -4.432 -0.976 -4.431 180 HE2 TYR 24 2HE TYR 24 -2.329 1.202 -7.436 181 HH TYR 24 HH TYR 24 -4.468 -0.382 -7.608 182 H LEU 25 H LEU 25 0.878 3.821 -2.381 183 HA LEU 25 HA LEU 25 2.345 2.576 -4.466 184 1HB LEU 25 2HB LEU 25 2.698 4.938 -2.712 185 2HB LEU 25 1HB LEU 25 4.155 4.275 -3.429 186 HG LEU 25 HG LEU 25 3.152 6.139 -4.732 187 1HD1 LEU 25 1HD1 LEU 25 3.805 5.248 -6.717 188 2HD1 LEU 25 2HD1 LEU 25 2.888 3.759 -6.480 189 3HD1 LEU 25 3HD1 LEU 25 4.423 3.993 -5.644 190 1HD2 LEU 25 1HD2 LEU 25 0.885 4.178 -4.999 191 2HD2 LEU 25 2HD2 LEU 25 1.127 5.529 -6.107 192 3HD2 LEU 25 3HD2 LEU 25 0.829 5.835 -4.396 193 H ALA 26 H ALA 26 3.144 3.081 -1.045 194 HA ALA 26 HA ALA 26 5.412 1.434 -1.044 195 1HB ALA 26 1HB ALA 26 5.163 1.469 1.432 196 2HB ALA 26 2HB ALA 26 3.627 2.308 1.216 197 3HB ALA 26 3HB ALA 26 5.128 3.067 0.687 198 H HIS 27 H HIS 27 2.078 0.711 -1.053 199 HA HIS 27 HA HIS 27 2.192 -1.813 0.266 200 1HB HIS 27 2HB HIS 27 0.095 -0.560 0.086 201 2HB HIS 27 1HB HIS 27 0.148 -0.698 -1.668 202 HD1 HIS 27 1HD HIS 27 -0.826 -2.563 1.397 203 HD2 HIS 27 2HD HIS 27 -0.422 -3.273 -2.676 204 HE1 HIS 27 1HE HIS 27 -2.016 -4.746 0.935 205 H LYS 28 H LYS 28 1.757 -0.975 -3.180 206 HA LYS 28 HA LYS 28 2.168 -3.624 -4.084 207 1HB LYS 28 2HB LYS 28 2.338 -0.971 -5.516 208 2HB LYS 28 1HB LYS 28 2.480 -2.523 -6.331 209 1HG LYS 28 2HG LYS 28 0.088 -1.652 -4.724 210 2HG LYS 28 1HG LYS 28 0.225 -1.526 -6.479 211 1HD LYS 28 2HD LYS 28 0.540 -3.970 -6.600 212 2HD LYS 28 1HD LYS 28 0.319 -4.065 -4.852 213 1HE LYS 28 2HE LYS 28 -1.685 -3.283 -6.951 214 2HE LYS 28 1HE LYS 28 -1.773 -4.609 -5.792 215 1HZ LYS 28 1HZ LYS 28 -1.885 -1.717 -5.126 216 2HZ LYS 28 2HZ LYS 28 -1.963 -2.985 -4.010 217 3HZ LYS 28 3HZ LYS 28 -3.202 -2.780 -5.141 218 H GLN 29 H GLN 29 4.330 -1.186 -3.054 219 HA GLN 29 HA GLN 29 6.597 -1.824 -4.593 220 1HB GLN 29 2HB GLN 29 6.085 -0.388 -2.042 221 2HB GLN 29 1HB GLN 29 7.732 -0.925 -2.343 222 1HG GLN 29 2HG GLN 29 7.991 0.454 -4.174 223 2HG GLN 29 1HG GLN 29 6.254 0.593 -4.443 224 1HE2 GLN 29 1HE2 GLN 29 5.848 2.694 -4.287 225 2HE2 GLN 29 2HE2 GLN 29 6.283 3.704 -2.954 226 H PHE 30 H PHE 30 5.986 -2.683 -1.175 227 HA PHE 30 HA PHE 30 6.981 -5.361 -1.637 228 1HB PHE 30 2HB PHE 30 8.532 -4.872 0.466 229 2HB PHE 30 1HB PHE 30 9.094 -4.657 -1.187 230 HD1 PHE 30 1HD PHE 30 6.935 -2.540 0.987 231 HD2 PHE 30 2HD PHE 30 10.569 -2.884 -1.202 232 HE1 PHE 30 1HE PHE 30 7.450 -0.186 1.480 233 HE2 PHE 30 2HE PHE 30 11.091 -0.529 -0.712 234 HZ PHE 30 HZ PHE 30 9.529 0.823 0.630 235 H TYR 31 H TYR 31 4.556 -3.873 -0.557 236 HA TYR 31 HA TYR 31 4.451 -5.136 2.098 237 1HB TYR 31 2HB TYR 31 3.771 -2.547 1.317 238 2HB TYR 31 1HB TYR 31 2.225 -3.365 1.513 239 HD1 TYR 31 1HD TYR 31 4.925 -1.742 3.180 240 HD2 TYR 31 2HD TYR 31 1.827 -4.605 3.730 241 HE1 TYR 31 1HE TYR 31 5.084 -1.437 5.615 242 HE2 TYR 31 2HE TYR 31 1.976 -4.307 6.166 243 HH TYR 31 HH TYR 31 4.548 -2.678 7.665 244 H CYS 32 H CYS 32 2.988 -5.030 -1.052 245 HA CYS 32 HA CYS 32 0.584 -6.379 -0.434 246 1HB CYS 32 2HB CYS 32 1.080 -5.098 -2.548 247 2HB CYS 32 1HB CYS 32 2.062 -6.462 -3.068 248 H LYS 33 H LYS 33 0.433 -8.345 0.394 249 HA LYS 33 HA LYS 33 2.470 -10.344 -0.304 250 1HB LYS 33 2HB LYS 33 1.375 -11.582 1.692 251 2HB LYS 33 1HB LYS 33 2.431 -10.215 2.019 252 1HG LYS 33 2HG LYS 33 0.421 -10.175 3.406 253 2HG LYS 33 1HG LYS 33 0.510 -8.772 2.339 254 1HD LYS 33 2HD LYS 33 -1.158 -9.619 0.914 255 2HD LYS 33 1HD LYS 33 -1.026 -11.244 1.590 256 1HE LYS 33 2HE LYS 33 -2.231 -8.793 2.849 257 2HE LYS 33 1HE LYS 33 -3.021 -10.321 2.465 258 1HZ LYS 33 1HZ LYS 33 -2.658 -10.401 4.748 259 2HZ LYS 33 2HZ LYS 33 -1.106 -9.740 4.638 260 3HZ LYS 33 3HZ LYS 33 -1.388 -11.324 4.118 261 H ASN 34 H ASN 34 0.163 -9.572 -1.982 262 HA ASN 34 HA ASN 34 -1.283 -12.140 -2.007 263 1HB ASN 34 2HB ASN 34 -2.165 -9.382 -2.336 264 2HB ASN 34 1HB ASN 34 -2.683 -10.407 -3.671 265 1HD2 ASN 34 1HD2 ASN 34 -2.771 -9.981 -0.196 266 2HD2 ASN 34 2HD2 ASN 34 -4.191 -10.929 0.074 267 H LYS 35 H LYS 35 0.621 -12.995 -3.141 268 HA LYS 35 HA LYS 35 1.648 -13.752 -5.023 269 1HB LYS 35 2HB LYS 35 -0.751 -12.566 -6.428 270 2HB LYS 35 1HB LYS 35 0.380 -13.720 -7.121 271 1HG LYS 35 2HG LYS 35 -0.523 -15.477 -6.027 272 2HG LYS 35 1HG LYS 35 -0.933 -14.521 -4.601 273 1HD LYS 35 2HD LYS 35 -2.890 -13.680 -5.594 274 2HD LYS 35 1HD LYS 35 -2.381 -14.174 -7.211 275 1HE LYS 35 2HE LYS 35 -4.066 -15.698 -6.511 276 2HE LYS 35 1HE LYS 35 -2.525 -16.551 -6.426 277 1HZ LYS 35 1HZ LYS 35 -2.538 -16.529 -4.140 278 2HZ LYS 35 2HZ LYS 35 -4.186 -16.716 -4.472 279 3HZ LYS 35 3HZ LYS 35 -3.579 -15.199 -4.035 280 HA PRO 36 HA PRO 36 4.048 -10.409 -6.596 281 1HB PRO 36 2HB PRO 36 5.071 -11.479 -8.869 282 2HB PRO 36 1HB PRO 36 5.601 -11.971 -7.257 283 1HG PRO 36 2HG PRO 36 3.657 -13.307 -9.102 284 2HG PRO 36 1HG PRO 36 4.942 -14.030 -8.116 285 1HD PRO 36 2HD PRO 36 2.340 -14.055 -7.365 286 2HD PRO 36 1HD PRO 36 3.671 -13.976 -6.194 Start of MODEL 13 1 1H GLY 1 1HT GLY 1 -12.403 13.612 -19.212 2 2H GLY 1 2HT GLY 1 -13.624 12.515 -18.804 3 3H GLY 1 3HT GLY 1 -12.730 12.296 -20.224 4 1HA GLY 1 1HA GLY 1 -10.701 12.018 -18.845 5 2HA GLY 1 2HA GLY 1 -11.750 12.040 -17.436 6 H SER 2 H SER 2 -10.125 10.053 -19.452 7 HA SER 2 HA SER 2 -11.303 7.702 -18.442 8 1HB SER 2 2HB SER 2 -12.412 6.793 -20.353 9 2HB SER 2 1HB SER 2 -13.060 8.419 -20.127 10 HG SER 2 HG SER 2 -12.577 8.328 -22.246 11 H ALA 3 H ALA 3 -10.629 5.822 -20.277 12 HA ALA 3 HA ALA 3 -8.868 4.629 -21.084 13 1HB ALA 3 1HB ALA 3 -7.720 5.605 -22.766 14 2HB ALA 3 2HB ALA 3 -7.262 6.999 -21.789 15 3HB ALA 3 3HB ALA 3 -8.872 6.915 -22.503 16 H ALA 4 H ALA 4 -8.871 5.280 -18.320 17 HA ALA 4 HA ALA 4 -6.238 4.544 -17.623 18 1HB ALA 4 1HB ALA 4 -6.968 7.432 -17.199 19 2HB ALA 4 2HB ALA 4 -5.565 6.773 -18.040 20 3HB ALA 4 3HB ALA 4 -5.695 6.619 -16.288 21 H GLU 5 H GLU 5 -6.887 3.083 -16.168 22 HA GLU 5 HA GLU 5 -9.114 2.957 -14.663 23 1HB GLU 5 2HB GLU 5 -6.360 1.909 -14.288 24 2HB GLU 5 1HB GLU 5 -7.466 1.782 -12.928 25 1HG GLU 5 2HG GLU 5 -8.573 0.906 -15.496 26 2HG GLU 5 1HG GLU 5 -7.220 -0.054 -14.901 27 H VAL 6 H VAL 6 -9.871 4.816 -13.727 28 HA VAL 6 HA VAL 6 -8.232 6.499 -12.091 29 HB VAL 6 HB VAL 6 -10.125 7.428 -13.313 30 1HG1 VAL 6 1HG1 VAL 6 -12.169 6.370 -11.490 31 2HG1 VAL 6 2HG1 VAL 6 -11.484 5.196 -12.614 32 3HG1 VAL 6 3HG1 VAL 6 -12.239 6.667 -13.227 33 1HG2 VAL 6 1HG2 VAL 6 -9.333 8.445 -11.161 34 2HG2 VAL 6 2HG2 VAL 6 -10.683 7.638 -10.363 35 3HG2 VAL 6 3HG2 VAL 6 -10.991 8.846 -11.609 36 H MET 7 H MET 7 -8.703 6.981 -9.830 37 HA MET 7 HA MET 7 -8.892 6.387 -7.642 38 1HB MET 7 2HB MET 7 -11.288 5.819 -8.669 39 2HB MET 7 1HB MET 7 -10.801 4.185 -8.240 40 1HG MET 7 2HG MET 7 -10.260 5.198 -5.931 41 2HG MET 7 1HG MET 7 -11.274 6.538 -6.463 42 1HE MET 7 1HE MET 7 -12.336 2.381 -5.170 43 2HE MET 7 2HE MET 7 -10.807 2.951 -5.840 44 3HE MET 7 3HE MET 7 -12.075 2.362 -6.914 45 H LYS 8 H LYS 8 -6.668 5.541 -8.113 46 HA LYS 8 HA LYS 8 -6.484 2.627 -8.081 47 1HB LYS 8 2HB LYS 8 -4.214 4.617 -8.142 48 2HB LYS 8 1HB LYS 8 -4.143 2.904 -8.533 49 1HG LYS 8 2HG LYS 8 -4.250 3.661 -10.644 50 2HG LYS 8 1HG LYS 8 -5.984 3.710 -10.320 51 1HD LYS 8 2HD LYS 8 -6.044 5.969 -10.274 52 2HD LYS 8 1HD LYS 8 -4.461 6.099 -9.505 53 1HE LYS 8 2HE LYS 8 -4.816 5.302 -12.384 54 2HE LYS 8 1HE LYS 8 -4.643 6.981 -11.874 55 1HZ LYS 8 1HZ LYS 8 -2.668 4.837 -11.304 56 2HZ LYS 8 2HZ LYS 8 -2.495 6.484 -10.960 57 3HZ LYS 8 3HZ LYS 8 -2.533 5.957 -12.566 58 H LYS 9 H LYS 9 -7.635 3.512 -5.820 59 HA LYS 9 HA LYS 9 -5.505 3.187 -3.809 60 1HB LYS 9 2HB LYS 9 -7.156 4.468 -2.282 61 2HB LYS 9 1HB LYS 9 -6.187 5.381 -3.429 62 1HG LYS 9 2HG LYS 9 -8.788 4.494 -4.454 63 2HG LYS 9 1HG LYS 9 -8.864 5.640 -3.114 64 1HD LYS 9 2HD LYS 9 -6.974 6.820 -4.615 65 2HD LYS 9 1HD LYS 9 -7.897 6.011 -5.883 66 1HE LYS 9 2HE LYS 9 -9.956 7.057 -4.991 67 2HE LYS 9 1HE LYS 9 -8.971 7.929 -3.817 68 1HZ LYS 9 1HZ LYS 9 -9.631 9.049 -6.043 69 2HZ LYS 9 2HZ LYS 9 -8.344 8.157 -6.681 70 3HZ LYS 9 3HZ LYS 9 -8.067 9.264 -5.432 71 H TYR 10 H TYR 10 -6.621 0.964 -4.838 72 HA TYR 10 HA TYR 10 -7.817 -0.244 -2.548 73 1HB TYR 10 2HB TYR 10 -9.820 0.807 -3.496 74 2HB TYR 10 1HB TYR 10 -9.512 0.022 -5.041 75 HD1 TYR 10 1HD TYR 10 -10.659 -1.925 -5.505 76 HD2 TYR 10 2HD TYR 10 -9.970 -0.877 -1.440 77 HE1 TYR 10 1HE TYR 10 -11.985 -3.867 -4.785 78 HE2 TYR 10 2HE TYR 10 -11.294 -2.816 -0.709 79 HH TYR 10 HH TYR 10 -13.273 -4.588 -2.808 80 H CYS 11 H CYS 11 -6.538 -1.981 -2.499 81 HA CYS 11 HA CYS 11 -5.695 -3.286 -4.944 82 1HB CYS 11 2HB CYS 11 -4.230 -2.919 -2.877 83 2HB CYS 11 1HB CYS 11 -5.142 -4.226 -2.132 84 H SER 12 H SER 12 -7.603 -4.152 -5.772 85 HA SER 12 HA SER 12 -9.563 -5.571 -4.465 86 1HB SER 12 2HB SER 12 -10.240 -6.388 -6.569 87 2HB SER 12 1HB SER 12 -9.431 -4.866 -6.936 88 HG SER 12 HG SER 12 -7.834 -5.919 -7.871 89 H THR 13 H THR 13 -6.483 -6.783 -5.722 90 HA THR 13 HA THR 13 -6.898 -9.507 -5.303 91 HB THR 13 HB THR 13 -4.207 -8.293 -4.809 92 HG1 THR 13 1HG THR 13 -5.631 -8.277 -7.249 93 1HG2 THR 13 1HG2 THR 13 -5.250 -10.775 -6.076 94 2HG2 THR 13 2HG2 THR 13 -3.957 -10.566 -4.894 95 3HG2 THR 13 3HG2 THR 13 -3.690 -10.126 -6.582 96 H CYS 14 H CYS 14 -5.880 -6.984 -3.071 97 HA CYS 14 HA CYS 14 -5.527 -8.913 -0.920 98 1HB CYS 14 2HB CYS 14 -4.985 -5.972 -1.222 99 2HB CYS 14 1HB CYS 14 -4.961 -6.745 0.355 100 H ASP 15 H ASP 15 -7.856 -6.657 -2.113 101 HA ASP 15 HA ASP 15 -10.020 -6.278 -1.501 102 1HB ASP 15 2HB ASP 15 -9.860 -8.730 -0.696 103 2HB ASP 15 1HB ASP 15 -9.677 -8.040 0.914 104 H ILE 16 H ILE 16 -7.984 -4.544 -0.753 105 HA ILE 16 HA ILE 16 -9.146 -3.382 1.675 106 HB ILE 16 HB ILE 16 -6.176 -3.267 1.251 107 1HG1 ILE 16 2HG1 ILE 16 -6.838 -5.658 1.383 108 2HG1 ILE 16 1HG1 ILE 16 -5.879 -5.143 2.766 109 1HG2 ILE 16 1HG2 ILE 16 -6.599 -1.732 2.855 110 2HG2 ILE 16 2HG2 ILE 16 -6.557 -3.154 3.898 111 3HG2 ILE 16 3HG2 ILE 16 -8.104 -2.505 3.353 112 1HD1 ILE 16 1HD1 ILE 16 -8.694 -4.809 3.277 113 2HD1 ILE 16 2HD1 ILE 16 -7.482 -5.723 4.176 114 3HD1 ILE 16 3HD1 ILE 16 -8.315 -6.467 2.812 115 H SER 17 H SER 17 -8.561 -1.068 1.935 116 HA SER 17 HA SER 17 -7.945 0.242 -0.626 117 1HB SER 17 2HB SER 17 -10.476 0.136 0.203 118 2HB SER 17 1HB SER 17 -9.956 1.512 1.175 119 HG SER 17 HG SER 17 -9.482 1.359 -1.609 120 H PHE 18 H PHE 18 -7.050 2.358 -0.453 121 HA PHE 18 HA PHE 18 -6.203 3.201 2.217 122 1HB PHE 18 2HB PHE 18 -4.239 3.046 -0.067 123 2HB PHE 18 1HB PHE 18 -3.903 3.375 1.629 124 HD1 PHE 18 1HD PHE 18 -3.677 1.607 3.213 125 HD2 PHE 18 2HD PHE 18 -4.800 0.775 -0.806 126 HE1 PHE 18 1HE PHE 18 -3.252 -0.786 3.594 127 HE2 PHE 18 2HE PHE 18 -4.378 -1.620 -0.433 128 HZ PHE 18 HZ PHE 18 -3.603 -2.403 1.770 129 H ASN 19 H ASN 19 -7.017 5.184 2.378 130 HA ASN 19 HA ASN 19 -7.752 6.849 0.269 131 1HB ASN 19 2HB ASN 19 -7.347 7.200 3.193 132 2HB ASN 19 1HB ASN 19 -7.420 8.661 2.212 133 1HD2 ASN 19 1HD2 ASN 19 -9.321 8.556 3.947 134 2HD2 ASN 19 2HD2 ASN 19 -10.833 8.069 3.269 135 H TYR 20 H TYR 20 -4.734 6.669 2.087 136 HA TYR 20 HA TYR 20 -3.601 8.929 0.675 137 1HB TYR 20 2HB TYR 20 -2.129 7.006 2.472 138 2HB TYR 20 1HB TYR 20 -1.694 8.665 2.074 139 HD1 TYR 20 1HD TYR 20 -4.189 10.115 2.514 140 HD2 TYR 20 2HD TYR 20 -2.457 6.950 4.770 141 HE1 TYR 20 1HE TYR 20 -5.366 10.909 4.522 142 HE2 TYR 20 2HE TYR 20 -3.630 7.735 6.783 143 HH TYR 20 HH TYR 20 -5.127 10.765 6.975 144 H VAL 21 H VAL 21 -2.510 8.828 -1.170 145 HA VAL 21 HA VAL 21 -2.259 6.468 -2.664 146 HB VAL 21 HB VAL 21 -0.622 8.974 -3.056 147 1HG1 VAL 21 1HG1 VAL 21 -1.636 7.424 -5.344 148 2HG1 VAL 21 2HG1 VAL 21 -0.412 6.620 -4.362 149 3HG1 VAL 21 3HG1 VAL 21 -0.066 8.187 -5.093 150 1HG2 VAL 21 1HG2 VAL 21 -2.803 9.799 -2.963 151 2HG2 VAL 21 2HG2 VAL 21 -3.477 8.368 -3.742 152 3HG2 VAL 21 3HG2 VAL 21 -2.534 9.523 -4.684 153 H LYS 22 H LYS 22 0.013 8.157 -0.566 154 HA LYS 22 HA LYS 22 2.366 6.839 -1.236 155 1HB LYS 22 2HB LYS 22 1.531 7.714 1.534 156 2HB LYS 22 1HB LYS 22 3.176 7.445 0.976 157 1HG LYS 22 2HG LYS 22 1.582 9.399 -0.555 158 2HG LYS 22 1HG LYS 22 2.028 9.859 1.090 159 1HD LYS 22 2HD LYS 22 4.170 8.681 -0.571 160 2HD LYS 22 1HD LYS 22 3.603 10.284 -1.045 161 1HE LYS 22 2HE LYS 22 4.485 9.547 1.743 162 2HE LYS 22 1HE LYS 22 5.528 10.306 0.540 163 1HZ LYS 22 1HZ LYS 22 4.102 11.676 2.306 164 2HZ LYS 22 2HZ LYS 22 2.985 11.622 1.038 165 3HZ LYS 22 3HZ LYS 22 4.518 12.288 0.784 166 H THR 23 H THR 23 -0.281 5.831 0.839 167 HA THR 23 HA THR 23 0.966 3.572 1.978 168 HB THR 23 HB THR 23 -1.980 3.802 1.404 169 HG1 THR 23 1HG THR 23 -0.500 5.051 3.473 170 1HG2 THR 23 1HG2 THR 23 -0.398 2.500 3.597 171 2HG2 THR 23 2HG2 THR 23 -1.477 1.735 2.431 172 3HG2 THR 23 3HG2 THR 23 -2.137 2.783 3.687 173 H TYR 24 H TYR 24 -1.154 3.929 -0.851 174 HA TYR 24 HA TYR 24 -1.203 1.219 -1.584 175 1HB TYR 24 2HB TYR 24 -2.600 3.251 -2.457 176 2HB TYR 24 1HB TYR 24 -1.301 3.409 -3.634 177 HD1 TYR 24 1HD TYR 24 -3.379 0.641 -2.203 178 HD2 TYR 24 2HD TYR 24 -1.716 2.444 -5.679 179 HE1 TYR 24 1HE TYR 24 -4.444 -1.081 -3.598 180 HE2 TYR 24 2HE TYR 24 -2.776 0.728 -7.084 181 HH TYR 24 HH TYR 24 -3.737 -2.042 -6.197 182 H LEU 25 H LEU 25 1.103 3.771 -2.185 183 HA LEU 25 HA LEU 25 2.582 2.448 -4.209 184 1HB LEU 25 2HB LEU 25 2.999 4.782 -2.431 185 2HB LEU 25 1HB LEU 25 4.441 4.043 -3.102 186 HG LEU 25 HG LEU 25 3.450 4.341 -5.384 187 1HD1 LEU 25 1HD1 LEU 25 1.099 4.695 -4.145 188 2HD1 LEU 25 2HD1 LEU 25 1.452 5.325 -5.755 189 3HD1 LEU 25 3HD1 LEU 25 1.584 6.379 -4.346 190 1HD2 LEU 25 1HD2 LEU 25 4.967 6.006 -3.986 191 2HD2 LEU 25 2HD2 LEU 25 3.549 7.041 -4.156 192 3HD2 LEU 25 3HD2 LEU 25 4.361 6.417 -5.592 193 H ALA 26 H ALA 26 3.369 2.969 -0.788 194 HA ALA 26 HA ALA 26 5.508 1.177 -0.701 195 1HB ALA 26 1HB ALA 26 3.787 1.774 1.678 196 2HB ALA 26 2HB ALA 26 4.859 2.992 0.986 197 3HB ALA 26 3HB ALA 26 5.526 1.486 1.617 198 H HIS 27 H HIS 27 2.129 0.652 -0.742 199 HA HIS 27 HA HIS 27 2.037 -1.848 0.591 200 1HB HIS 27 2HB HIS 27 0.018 -0.533 0.284 201 2HB HIS 27 1HB HIS 27 0.187 -0.622 -1.465 202 HD1 HIS 27 1HD HIS 27 -1.233 -2.431 1.416 203 HD2 HIS 27 2HD HIS 27 -0.308 -3.220 -2.556 204 HE1 HIS 27 1HE HIS 27 -2.462 -4.557 0.810 205 H LYS 28 H LYS 28 1.897 -1.068 -2.891 206 HA LYS 28 HA LYS 28 2.184 -3.757 -3.722 207 1HB LYS 28 2HB LYS 28 2.868 -1.278 -5.307 208 2HB LYS 28 1HB LYS 28 2.477 -2.867 -5.948 209 1HG LYS 28 2HG LYS 28 0.253 -2.580 -5.684 210 2HG LYS 28 1HG LYS 28 0.440 -1.619 -4.216 211 1HD LYS 28 2HD LYS 28 -0.444 -0.246 -6.013 212 2HD LYS 28 1HD LYS 28 1.181 0.288 -5.580 213 1HE LYS 28 2HE LYS 28 0.991 -1.736 -7.721 214 2HE LYS 28 1HE LYS 28 0.377 -0.130 -8.110 215 1HZ LYS 28 1HZ LYS 28 2.532 0.196 -8.642 216 2HZ LYS 28 2HZ LYS 28 3.107 -1.000 -7.593 217 3HZ LYS 28 3HZ LYS 28 2.680 0.520 -6.987 218 H GLN 29 H GLN 29 4.431 -1.510 -2.509 219 HA GLN 29 HA GLN 29 6.751 -2.336 -3.899 220 1HB GLN 29 2HB GLN 29 6.302 -0.941 -1.272 221 2HB GLN 29 1HB GLN 29 7.917 -1.360 -1.826 222 1HG GLN 29 2HG GLN 29 6.302 0.037 -3.818 223 2HG GLN 29 1HG GLN 29 6.619 0.973 -2.358 224 1HE2 GLN 29 1HE2 GLN 29 8.140 2.370 -2.950 225 2HE2 GLN 29 2HE2 GLN 29 9.653 1.957 -3.674 226 H PHE 30 H PHE 30 5.870 -3.002 -0.500 227 HA PHE 30 HA PHE 30 6.769 -5.754 -0.819 228 1HB PHE 30 2HB PHE 30 8.010 -5.290 1.491 229 2HB PHE 30 1HB PHE 30 8.817 -5.112 -0.061 230 HD1 PHE 30 1HD PHE 30 6.473 -2.933 1.856 231 HD2 PHE 30 2HD PHE 30 10.292 -3.355 0.028 232 HE1 PHE 30 1HE PHE 30 6.989 -0.591 2.406 233 HE2 PHE 30 2HE PHE 30 10.817 -1.014 0.576 234 HZ PHE 30 HZ PHE 30 9.163 0.372 1.765 235 H TYR 31 H TYR 31 4.298 -4.064 -0.045 236 HA TYR 31 HA TYR 31 3.708 -5.469 2.474 237 1HB TYR 31 2HB TYR 31 3.456 -2.751 1.850 238 2HB TYR 31 1HB TYR 31 1.811 -3.377 1.838 239 HD1 TYR 31 1HD TYR 31 4.220 -1.912 3.850 240 HD2 TYR 31 2HD TYR 31 1.337 -5.039 3.917 241 HE1 TYR 31 1HE TYR 31 4.170 -1.805 6.306 242 HE2 TYR 31 2HE TYR 31 1.279 -4.941 6.373 243 HH TYR 31 HH TYR 31 3.587 -3.240 8.201 244 H CYS 32 H CYS 32 3.105 -5.572 -0.788 245 HA CYS 32 HA CYS 32 0.346 -6.480 -0.539 246 1HB CYS 32 2HB CYS 32 1.101 -4.966 -2.413 247 2HB CYS 32 1HB CYS 32 2.030 -6.322 -3.041 248 H LYS 33 H LYS 33 -0.329 -8.543 -1.341 249 HA LYS 33 HA LYS 33 1.694 -10.607 -0.889 250 1HB LYS 33 2HB LYS 33 -0.180 -12.138 -0.595 251 2HB LYS 33 1HB LYS 33 -0.369 -10.728 0.439 252 1HG LYS 33 2HG LYS 33 -2.223 -10.023 -0.629 253 2HG LYS 33 1HG LYS 33 -1.653 -10.565 -2.208 254 1HD LYS 33 2HD LYS 33 -3.591 -11.860 -1.499 255 2HD LYS 33 1HD LYS 33 -2.157 -12.883 -1.586 256 1HE LYS 33 2HE LYS 33 -2.038 -12.061 0.990 257 2HE LYS 33 1HE LYS 33 -3.783 -12.087 0.735 258 1HZ LYS 33 1HZ LYS 33 -1.970 -14.365 0.153 259 2HZ LYS 33 2HZ LYS 33 -3.659 -14.373 0.074 260 3HZ LYS 33 3HZ LYS 33 -2.884 -14.207 1.568 261 H ASN 34 H ASN 34 1.546 -9.094 -3.391 262 HA ASN 34 HA ASN 34 1.441 -11.375 -5.194 263 1HB ASN 34 2HB ASN 34 -0.812 -10.033 -5.136 264 2HB ASN 34 1HB ASN 34 0.081 -8.866 -6.107 265 1HD2 ASN 34 1HD2 ASN 34 -1.920 -11.449 -6.251 266 2HD2 ASN 34 2HD2 ASN 34 -1.544 -12.026 -7.835 267 H LYS 35 H LYS 35 3.653 -11.219 -5.444 268 HA LYS 35 HA LYS 35 4.554 -9.270 -7.343 269 1HB LYS 35 2HB LYS 35 6.381 -8.360 -5.966 270 2HB LYS 35 1HB LYS 35 4.801 -7.945 -5.315 271 1HG LYS 35 2HG LYS 35 6.278 -10.335 -4.295 272 2HG LYS 35 1HG LYS 35 6.663 -8.716 -3.708 273 1HD LYS 35 2HD LYS 35 4.156 -8.481 -3.258 274 2HD LYS 35 1HD LYS 35 4.077 -10.231 -3.479 275 1HE LYS 35 2HE LYS 35 6.185 -9.958 -1.757 276 2HE LYS 35 1HE LYS 35 5.114 -8.656 -1.239 277 1HZ LYS 35 1HZ LYS 35 3.583 -10.099 -0.483 278 2HZ LYS 35 2HZ LYS 35 4.896 -11.162 -0.389 279 3HZ LYS 35 3HZ LYS 35 3.849 -11.227 -1.716 280 HA PRO 36 HA PRO 36 6.769 -13.419 -7.107 281 1HB PRO 36 2HB PRO 36 5.681 -14.621 -9.255 282 2HB PRO 36 1HB PRO 36 4.916 -14.679 -7.663 283 1HG PRO 36 2HG PRO 36 4.278 -12.935 -10.009 284 2HG PRO 36 1HG PRO 36 3.173 -13.779 -8.909 285 1HD PRO 36 2HD PRO 36 3.780 -11.121 -8.700 286 2HD PRO 36 1HD PRO 36 3.297 -12.129 -7.322 Start of MODEL 14 1 1H GLY 1 1HT GLY 1 -14.108 8.750 -11.706 2 2H GLY 1 2HT GLY 1 -15.108 8.033 -10.545 3 3H GLY 1 3HT GLY 1 -14.392 9.532 -10.233 4 1HA GLY 1 1HA GLY 1 -15.659 10.473 -12.136 5 2HA GLY 1 2HA GLY 1 -16.507 8.937 -12.226 6 H SER 2 H SER 2 -17.197 8.242 -9.814 7 HA SER 2 HA SER 2 -19.287 9.971 -9.112 8 1HB SER 2 2HB SER 2 -19.573 7.696 -8.546 9 2HB SER 2 1HB SER 2 -18.022 7.622 -7.709 10 HG SER 2 HG SER 2 -18.990 8.252 -5.964 11 H ALA 3 H ALA 3 -19.620 11.264 -7.266 12 HA ALA 3 HA ALA 3 -17.232 12.644 -6.381 13 1HB ALA 3 1HB ALA 3 -18.755 14.260 -5.403 14 2HB ALA 3 2HB ALA 3 -20.125 13.196 -5.729 15 3HB ALA 3 3HB ALA 3 -19.223 13.909 -7.068 16 H ALA 4 H ALA 4 -16.950 10.222 -5.373 17 HA ALA 4 HA ALA 4 -17.219 10.659 -2.517 18 1HB ALA 4 1HB ALA 4 -18.756 8.610 -3.993 19 2HB ALA 4 2HB ALA 4 -19.140 9.460 -2.496 20 3HB ALA 4 3HB ALA 4 -18.011 8.105 -2.476 21 H GLU 5 H GLU 5 -14.930 10.834 -2.685 22 HA GLU 5 HA GLU 5 -12.807 10.054 -2.460 23 1HB GLU 5 2HB GLU 5 -13.912 8.472 -0.877 24 2HB GLU 5 1HB GLU 5 -14.089 7.330 -2.202 25 1HG GLU 5 2HG GLU 5 -11.425 7.900 -2.303 26 2HG GLU 5 1HG GLU 5 -11.756 7.978 -0.573 27 H VAL 6 H VAL 6 -11.318 9.838 -3.997 28 HA VAL 6 HA VAL 6 -11.981 9.099 -6.632 29 HB VAL 6 HB VAL 6 -9.198 9.228 -5.475 30 1HG1 VAL 6 1HG1 VAL 6 -10.302 9.498 -8.262 31 2HG1 VAL 6 2HG1 VAL 6 -9.162 8.296 -7.658 32 3HG1 VAL 6 3HG1 VAL 6 -8.664 9.981 -7.815 33 1HG2 VAL 6 1HG2 VAL 6 -11.165 11.352 -6.046 34 2HG2 VAL 6 2HG2 VAL 6 -9.524 11.635 -6.624 35 3HG2 VAL 6 3HG2 VAL 6 -9.814 11.329 -4.912 36 H MET 7 H MET 7 -11.005 7.372 -7.909 37 HA MET 7 HA MET 7 -10.810 4.892 -6.348 38 1HB MET 7 2HB MET 7 -11.668 5.443 -9.183 39 2HB MET 7 1HB MET 7 -11.254 3.822 -8.642 40 1HG MET 7 2HG MET 7 -13.458 3.711 -8.229 41 2HG MET 7 1HG MET 7 -12.991 4.493 -6.721 42 1HE MET 7 1HE MET 7 -13.964 6.165 -10.554 43 2HE MET 7 2HE MET 7 -15.618 5.860 -10.021 44 3HE MET 7 3HE MET 7 -14.441 4.547 -10.040 45 H LYS 8 H LYS 8 -8.568 5.943 -6.033 46 HA LYS 8 HA LYS 8 -6.764 4.573 -7.882 47 1HB LYS 8 2HB LYS 8 -5.227 6.485 -7.933 48 2HB LYS 8 1HB LYS 8 -6.790 6.906 -8.623 49 1HG LYS 8 2HG LYS 8 -7.405 8.146 -6.699 50 2HG LYS 8 1HG LYS 8 -6.033 7.523 -5.781 51 1HD LYS 8 2HD LYS 8 -4.585 8.989 -6.704 52 2HD LYS 8 1HD LYS 8 -5.351 8.901 -8.292 53 1HE LYS 8 2HE LYS 8 -6.766 10.618 -7.854 54 2HE LYS 8 1HE LYS 8 -6.908 10.207 -6.146 55 1HZ LYS 8 1HZ LYS 8 -4.975 11.339 -5.628 56 2HZ LYS 8 2HZ LYS 8 -5.672 12.339 -6.799 57 3HZ LYS 8 3HZ LYS 8 -4.394 11.314 -7.217 58 H LYS 9 H LYS 9 -7.531 3.579 -5.497 59 HA LYS 9 HA LYS 9 -5.097 3.127 -4.173 60 1HB LYS 9 2HB LYS 9 -5.839 4.161 -1.936 61 2HB LYS 9 1HB LYS 9 -5.167 5.233 -3.157 62 1HG LYS 9 2HG LYS 9 -8.072 4.933 -3.307 63 2HG LYS 9 1HG LYS 9 -7.494 5.648 -1.802 64 1HD LYS 9 2HD LYS 9 -6.008 7.042 -3.533 65 2HD LYS 9 1HD LYS 9 -7.391 6.693 -4.571 66 1HE LYS 9 2HE LYS 9 -7.922 8.736 -3.558 67 2HE LYS 9 1HE LYS 9 -8.831 7.537 -2.637 68 1HZ LYS 9 1HZ LYS 9 -7.305 9.395 -1.514 69 2HZ LYS 9 2HZ LYS 9 -6.168 8.151 -1.650 70 3HZ LYS 9 3HZ LYS 9 -7.606 7.892 -0.799 71 H TYR 10 H TYR 10 -6.189 1.088 -4.791 72 HA TYR 10 HA TYR 10 -7.392 -0.115 -2.501 73 1HB TYR 10 2HB TYR 10 -9.387 0.962 -3.437 74 2HB TYR 10 1HB TYR 10 -9.092 0.182 -4.986 75 HD1 TYR 10 1HD TYR 10 -9.084 -2.403 -5.004 76 HD2 TYR 10 2HD TYR 10 -10.730 -0.080 -1.843 77 HE1 TYR 10 1HE TYR 10 -10.425 -4.336 -4.291 78 HE2 TYR 10 2HE TYR 10 -12.076 -2.006 -1.121 79 HH TYR 10 HH TYR 10 -12.079 -4.423 -1.302 80 H CYS 11 H CYS 11 -6.493 -2.054 -2.411 81 HA CYS 11 HA CYS 11 -5.370 -3.260 -4.794 82 1HB CYS 11 2HB CYS 11 -4.263 -3.186 -2.475 83 2HB CYS 11 1HB CYS 11 -5.379 -4.474 -2.035 84 H SER 12 H SER 12 -6.673 -4.383 -6.082 85 HA SER 12 HA SER 12 -9.148 -5.483 -5.305 86 1HB SER 12 2HB SER 12 -8.087 -4.888 -7.688 87 2HB SER 12 1HB SER 12 -7.750 -6.619 -7.674 88 HG SER 12 HG SER 12 -10.270 -5.347 -7.405 89 H THR 13 H THR 13 -5.914 -6.826 -5.491 90 HA THR 13 HA THR 13 -6.666 -9.549 -5.224 91 HB THR 13 HB THR 13 -4.053 -8.214 -4.491 92 HG1 THR 13 1HG THR 13 -3.525 -8.373 -6.542 93 1HG2 THR 13 1HG2 THR 13 -3.364 -10.205 -3.831 94 2HG2 THR 13 2HG2 THR 13 -3.600 -10.781 -5.481 95 3HG2 THR 13 3HG2 THR 13 -4.895 -10.946 -4.295 96 H CYS 14 H CYS 14 -5.382 -7.205 -2.863 97 HA CYS 14 HA CYS 14 -5.774 -8.963 -0.650 98 1HB CYS 14 2HB CYS 14 -5.129 -6.021 -0.848 99 2HB CYS 14 1HB CYS 14 -5.238 -6.887 0.675 100 H ASP 15 H ASP 15 -7.663 -6.521 -2.247 101 HA ASP 15 HA ASP 15 -9.870 -5.977 -2.061 102 1HB ASP 15 2HB ASP 15 -9.963 -8.492 -1.251 103 2HB ASP 15 1HB ASP 15 -10.273 -7.748 0.314 104 H ILE 16 H ILE 16 -8.163 -4.243 -1.040 105 HA ILE 16 HA ILE 16 -9.615 -3.154 1.238 106 HB ILE 16 HB ILE 16 -6.617 -3.181 1.386 107 1HG1 ILE 16 2HG1 ILE 16 -8.477 -5.218 2.634 108 2HG1 ILE 16 1HG1 ILE 16 -7.365 -5.536 1.306 109 1HG2 ILE 16 1HG2 ILE 16 -8.869 -2.356 3.095 110 2HG2 ILE 16 2HG2 ILE 16 -7.245 -1.684 2.950 111 3HG2 ILE 16 3HG2 ILE 16 -7.517 -3.133 3.918 112 1HD1 ILE 16 1HD1 ILE 16 -6.217 -6.332 3.137 113 2HD1 ILE 16 2HD1 ILE 16 -6.774 -5.027 4.185 114 3HD1 ILE 16 3HD1 ILE 16 -5.552 -4.708 2.954 115 H SER 17 H SER 17 -8.983 -0.880 1.680 116 HA SER 17 HA SER 17 -7.923 0.447 -0.726 117 1HB SER 17 2HB SER 17 -9.752 2.189 0.608 118 2HB SER 17 1HB SER 17 -9.868 1.516 -1.017 119 HG SER 17 HG SER 17 -11.572 1.032 0.697 120 H PHE 18 H PHE 18 -7.041 2.603 -0.346 121 HA PHE 18 HA PHE 18 -6.168 3.055 2.423 122 1HB PHE 18 2HB PHE 18 -4.345 3.302 0.024 123 2HB PHE 18 1HB PHE 18 -3.905 3.501 1.717 124 HD1 PHE 18 1HD PHE 18 -5.213 1.193 2.960 125 HD2 PHE 18 2HD PHE 18 -3.104 1.500 -0.722 126 HE1 PHE 18 1HE PHE 18 -4.643 -1.196 3.093 127 HE2 PHE 18 2HE PHE 18 -2.530 -0.889 -0.597 128 HZ PHE 18 HZ PHE 18 -3.301 -2.241 1.311 129 H ASN 19 H ASN 19 -6.668 5.038 3.064 130 HA ASN 19 HA ASN 19 -7.805 6.986 1.419 131 1HB ASN 19 2HB ASN 19 -7.811 6.704 4.025 132 2HB ASN 19 1HB ASN 19 -6.397 7.751 3.953 133 1HD2 ASN 19 1HD2 ASN 19 -9.545 7.625 2.310 134 2HD2 ASN 19 2HD2 ASN 19 -9.957 9.276 2.612 135 H TYR 20 H TYR 20 -4.473 6.443 2.367 136 HA TYR 20 HA TYR 20 -3.639 8.866 0.940 137 1HB TYR 20 2HB TYR 20 -1.901 7.024 2.583 138 2HB TYR 20 1HB TYR 20 -1.530 8.661 2.052 139 HD1 TYR 20 1HD TYR 20 -2.498 10.587 3.182 140 HD2 TYR 20 2HD TYR 20 -3.369 6.628 4.475 141 HE1 TYR 20 1HE TYR 20 -3.396 11.479 5.291 142 HE2 TYR 20 2HE TYR 20 -4.270 7.509 6.586 143 HH TYR 20 HH TYR 20 -5.264 9.676 7.402 144 H VAL 21 H VAL 21 -2.806 8.758 -1.036 145 HA VAL 21 HA VAL 21 -2.698 6.398 -2.527 146 HB VAL 21 HB VAL 21 -1.125 8.906 -3.123 147 1HG1 VAL 21 1HG1 VAL 21 -2.400 7.098 -5.136 148 2HG1 VAL 21 2HG1 VAL 21 -0.829 6.694 -4.443 149 3HG1 VAL 21 3HG1 VAL 21 -1.040 8.204 -5.328 150 1HG2 VAL 21 1HG2 VAL 21 -3.254 9.375 -4.545 151 2HG2 VAL 21 2HG2 VAL 21 -3.247 9.775 -2.828 152 3HG2 VAL 21 3HG2 VAL 21 -4.042 8.304 -3.387 153 H LYS 22 H LYS 22 -0.195 8.117 -0.737 154 HA LYS 22 HA LYS 22 2.063 6.786 -1.666 155 1HB LYS 22 2HB LYS 22 1.498 7.799 1.128 156 2HB LYS 22 1HB LYS 22 3.087 7.364 0.514 157 1HG LYS 22 2HG LYS 22 3.296 9.264 -0.688 158 2HG LYS 22 1HG LYS 22 1.573 9.348 -1.061 159 1HD LYS 22 2HD LYS 22 2.712 9.914 1.670 160 2HD LYS 22 1HD LYS 22 2.442 11.163 0.452 161 1HE LYS 22 2HE LYS 22 0.032 10.188 0.375 162 2HE LYS 22 1HE LYS 22 0.449 9.507 1.947 163 1HZ LYS 22 1HZ LYS 22 -0.596 11.925 1.633 164 2HZ LYS 22 2HZ LYS 22 1.047 12.326 1.581 165 3HZ LYS 22 3HZ LYS 22 0.417 11.519 2.927 166 H THR 23 H THR 23 -0.401 5.761 0.578 167 HA THR 23 HA THR 23 0.964 3.560 1.707 168 HB THR 23 HB THR 23 -2.013 3.795 1.282 169 HG1 THR 23 1HG THR 23 -2.091 5.022 3.106 170 1HG2 THR 23 1HG2 THR 23 -0.719 1.718 2.363 171 2HG2 THR 23 2HG2 THR 23 -2.319 2.248 2.882 172 3HG2 THR 23 3HG2 THR 23 -0.891 2.741 3.790 173 H TYR 24 H TYR 24 -1.339 3.796 -0.992 174 HA TYR 24 HA TYR 24 -1.376 1.085 -1.679 175 1HB TYR 24 2HB TYR 24 -2.831 3.069 -2.534 176 2HB TYR 24 1HB TYR 24 -1.576 3.248 -3.755 177 HD1 TYR 24 1HD TYR 24 -3.133 0.201 -2.257 178 HD2 TYR 24 2HD TYR 24 -2.455 2.509 -5.765 179 HE1 TYR 24 1HE TYR 24 -4.207 -1.550 -3.609 180 HE2 TYR 24 2HE TYR 24 -3.528 0.766 -7.127 181 HH TYR 24 HH TYR 24 -5.188 -1.076 -6.787 182 H LEU 25 H LEU 25 0.875 3.642 -2.457 183 HA LEU 25 HA LEU 25 2.285 2.237 -4.487 184 1HB LEU 25 2HB LEU 25 2.293 4.784 -3.773 185 2HB LEU 25 1HB LEU 25 3.639 4.270 -2.776 186 HG LEU 25 HG LEU 25 3.631 3.619 -5.697 187 1HD1 LEU 25 1HD1 LEU 25 4.273 5.690 -6.375 188 2HD1 LEU 25 2HD1 LEU 25 4.947 6.119 -4.802 189 3HD1 LEU 25 3HD1 LEU 25 3.201 6.158 -5.053 190 1HD2 LEU 25 1HD2 LEU 25 5.296 2.716 -3.987 191 2HD2 LEU 25 2HD2 LEU 25 5.930 4.360 -3.913 192 3HD2 LEU 25 3HD2 LEU 25 5.956 3.472 -5.436 193 H ALA 26 H ALA 26 3.141 2.948 -1.118 194 HA ALA 26 HA ALA 26 5.354 1.236 -1.022 195 1HB ALA 26 1HB ALA 26 3.699 1.966 1.371 196 2HB ALA 26 2HB ALA 26 4.762 3.126 0.574 197 3HB ALA 26 3HB ALA 26 5.434 1.659 1.286 198 H HIS 27 H HIS 27 2.000 0.605 -0.942 199 HA HIS 27 HA HIS 27 2.044 -1.811 0.557 200 1HB HIS 27 2HB HIS 27 -0.030 -0.574 0.278 201 2HB HIS 27 1HB HIS 27 0.057 -0.759 -1.470 202 HD1 HIS 27 1HD HIS 27 -1.032 -2.518 1.616 203 HD2 HIS 27 2HD HIS 27 -0.537 -3.352 -2.423 204 HE1 HIS 27 1HE HIS 27 -2.250 -4.692 1.186 205 H LYS 28 H LYS 28 1.747 -1.215 -2.951 206 HA LYS 28 HA LYS 28 2.075 -3.944 -3.646 207 1HB LYS 28 2HB LYS 28 2.056 -1.355 -5.127 208 2HB LYS 28 1HB LYS 28 2.716 -2.769 -5.940 209 1HG LYS 28 2HG LYS 28 0.024 -2.871 -4.639 210 2HG LYS 28 1HG LYS 28 0.229 -2.196 -6.256 211 1HD LYS 28 2HD LYS 28 0.831 -4.224 -7.172 212 2HD LYS 28 1HD LYS 28 1.404 -4.867 -5.631 213 1HE LYS 28 2HE LYS 28 -0.540 -6.030 -5.775 214 2HE LYS 28 1HE LYS 28 -1.168 -4.571 -5.011 215 1HZ LYS 28 1HZ LYS 28 -2.615 -4.771 -6.732 216 2HZ LYS 28 2HZ LYS 28 -1.496 -5.520 -7.757 217 3HZ LYS 28 3HZ LYS 28 -1.427 -3.848 -7.510 218 H GLN 29 H GLN 29 4.288 -1.579 -2.634 219 HA GLN 29 HA GLN 29 6.576 -2.385 -4.094 220 1HB GLN 29 2HB GLN 29 6.059 -0.747 -1.662 221 2HB GLN 29 1HB GLN 29 7.695 -1.340 -1.913 222 1HG GLN 29 2HG GLN 29 6.094 0.375 -3.798 223 2HG GLN 29 1HG GLN 29 7.474 0.877 -2.821 224 1HE2 GLN 29 1HE2 GLN 29 6.423 -0.810 -5.649 225 2HE2 GLN 29 2HE2 GLN 29 7.983 -1.030 -6.357 226 H PHE 30 H PHE 30 5.863 -2.919 -0.631 227 HA PHE 30 HA PHE 30 6.856 -5.649 -0.866 228 1HB PHE 30 2HB PHE 30 8.165 -5.035 1.370 229 2HB PHE 30 1HB PHE 30 8.903 -4.896 -0.220 230 HD1 PHE 30 1HD PHE 30 6.863 -2.864 2.153 231 HD2 PHE 30 2HD PHE 30 10.000 -2.942 -0.722 232 HE1 PHE 30 1HE PHE 30 7.310 -0.483 2.581 233 HE2 PHE 30 2HE PHE 30 10.454 -0.562 -0.298 234 HZ PHE 30 HZ PHE 30 9.107 0.671 1.355 235 H TYR 31 H TYR 31 4.351 -4.007 -0.053 236 HA TYR 31 HA TYR 31 3.936 -5.280 2.567 237 1HB TYR 31 2HB TYR 31 3.485 -2.653 1.780 238 2HB TYR 31 1HB TYR 31 1.880 -3.377 1.777 239 HD1 TYR 31 1HD TYR 31 4.661 -2.250 3.822 240 HD2 TYR 31 2HD TYR 31 0.951 -4.331 3.862 241 HE1 TYR 31 1HE TYR 31 4.555 -1.999 6.266 242 HE2 TYR 31 2HE TYR 31 0.834 -4.087 6.306 243 HH TYR 31 HH TYR 31 2.134 -2.093 8.020 244 H CYS 32 H CYS 32 3.105 -5.483 -0.704 245 HA CYS 32 HA CYS 32 0.538 -6.773 -0.187 246 1HB CYS 32 2HB CYS 32 0.854 -5.115 -2.067 247 2HB CYS 32 1HB CYS 32 1.877 -6.312 -2.854 248 H LYS 33 H LYS 33 0.126 -8.919 -0.577 249 HA LYS 33 HA LYS 33 2.486 -10.632 -0.780 250 1HB LYS 33 2HB LYS 33 0.735 -10.842 1.078 251 2HB LYS 33 1HB LYS 33 -0.320 -11.525 -0.150 252 1HG LYS 33 2HG LYS 33 1.486 -13.226 -0.588 253 2HG LYS 33 1HG LYS 33 2.282 -12.623 0.867 254 1HD LYS 33 2HD LYS 33 -0.556 -13.216 1.241 255 2HD LYS 33 1HD LYS 33 0.406 -14.623 0.786 256 1HE LYS 33 2HE LYS 33 1.268 -12.762 2.978 257 2HE LYS 33 1HE LYS 33 0.157 -14.096 3.281 258 1HZ LYS 33 1HZ LYS 33 1.786 -15.608 3.088 259 2HZ LYS 33 2HZ LYS 33 2.813 -14.305 3.424 260 3HZ LYS 33 3HZ LYS 33 2.563 -14.793 1.824 261 H ASN 34 H ASN 34 1.495 -9.315 -3.137 262 HA ASN 34 HA ASN 34 1.159 -11.654 -4.812 263 1HB ASN 34 2HB ASN 34 -1.153 -10.590 -4.051 264 2HB ASN 34 1HB ASN 34 -0.790 -9.460 -5.351 265 1HD2 ASN 34 1HD2 ASN 34 -0.664 -12.961 -4.765 266 2HD2 ASN 34 2HD2 ASN 34 -1.364 -13.409 -6.279 267 H LYS 35 H LYS 35 3.316 -10.908 -5.358 268 HA LYS 35 HA LYS 35 3.339 -8.520 -7.076 269 1HB LYS 35 2HB LYS 35 4.983 -9.010 -5.020 270 2HB LYS 35 1HB LYS 35 5.878 -9.847 -6.280 271 1HG LYS 35 2HG LYS 35 6.150 -7.869 -7.538 272 2HG LYS 35 1HG LYS 35 4.962 -7.001 -6.563 273 1HD LYS 35 2HD LYS 35 7.161 -6.284 -5.912 274 2HD LYS 35 1HD LYS 35 6.475 -7.252 -4.605 275 1HE LYS 35 2HE LYS 35 8.632 -8.079 -4.768 276 2HE LYS 35 1HE LYS 35 7.707 -9.222 -5.742 277 1HZ LYS 35 1HZ LYS 35 9.491 -7.053 -6.667 278 2HZ LYS 35 2HZ LYS 35 8.347 -7.758 -7.695 279 3HZ LYS 35 3HZ LYS 35 9.574 -8.705 -7.018 280 HA PRO 36 HA PRO 36 3.755 -11.167 -10.605 281 1HB PRO 36 2HB PRO 36 4.827 -9.401 -12.364 282 2HB PRO 36 1HB PRO 36 3.129 -9.356 -11.876 283 1HG PRO 36 2HG PRO 36 5.428 -7.711 -10.890 284 2HG PRO 36 1HG PRO 36 3.780 -7.199 -11.296 285 1HD PRO 36 2HD PRO 36 4.589 -7.610 -8.746 286 2HD PRO 36 1HD PRO 36 2.924 -7.919 -9.279 Start of MODEL 15 1 1H GLY 1 1HT GLY 1 -11.991 13.585 -12.227 2 2H GLY 1 2HT GLY 1 -11.399 12.568 -11.012 3 3H GLY 1 3HT GLY 1 -12.464 13.822 -10.620 4 1HA GLY 1 1HA GLY 1 -13.241 11.306 -10.934 5 2HA GLY 1 2HA GLY 1 -14.287 12.688 -11.223 6 H SER 2 H SER 2 -11.726 10.928 -12.978 7 HA SER 2 HA SER 2 -13.560 10.741 -15.268 8 1HB SER 2 2HB SER 2 -10.602 11.290 -15.554 9 2HB SER 2 1HB SER 2 -11.831 11.318 -16.819 10 HG SER 2 HG SER 2 -11.551 13.412 -16.279 11 H ALA 3 H ALA 3 -12.090 9.301 -17.004 12 HA ALA 3 HA ALA 3 -11.472 7.176 -17.532 13 1HB ALA 3 1HB ALA 3 -10.078 6.055 -15.554 14 2HB ALA 3 2HB ALA 3 -10.005 7.735 -15.023 15 3HB ALA 3 3HB ALA 3 -9.399 7.287 -16.618 16 H ALA 4 H ALA 4 -14.031 7.655 -16.193 17 HA ALA 4 HA ALA 4 -15.799 6.477 -15.379 18 1HB ALA 4 1HB ALA 4 -14.601 4.829 -17.132 19 2HB ALA 4 2HB ALA 4 -16.062 4.405 -16.239 20 3HB ALA 4 3HB ALA 4 -14.488 3.849 -15.669 21 H GLU 5 H GLU 5 -15.666 7.154 -13.247 22 HA GLU 5 HA GLU 5 -15.315 7.044 -11.000 23 1HB GLU 5 2HB GLU 5 -16.740 4.960 -11.644 24 2HB GLU 5 1HB GLU 5 -15.279 4.060 -11.267 25 1HG GLU 5 2HG GLU 5 -16.887 4.199 -9.397 26 2HG GLU 5 1HG GLU 5 -15.292 4.843 -9.013 27 H VAL 6 H VAL 6 -13.280 7.841 -10.672 28 HA VAL 6 HA VAL 6 -10.889 6.419 -11.187 29 HB VAL 6 HB VAL 6 -11.260 8.679 -9.217 30 1HG1 VAL 6 1HG1 VAL 6 -8.918 7.315 -10.420 31 2HG1 VAL 6 2HG1 VAL 6 -9.122 8.016 -8.815 32 3HG1 VAL 6 3HG1 VAL 6 -8.824 9.063 -10.204 33 1HG2 VAL 6 1HG2 VAL 6 -10.267 9.203 -11.954 34 2HG2 VAL 6 2HG2 VAL 6 -11.254 10.207 -10.892 35 3HG2 VAL 6 3HG2 VAL 6 -11.992 8.877 -11.783 36 H MET 7 H MET 7 -9.412 5.476 -9.718 37 HA MET 7 HA MET 7 -9.972 5.090 -6.971 38 1HB MET 7 2HB MET 7 -10.351 2.593 -7.126 39 2HB MET 7 1HB MET 7 -11.705 3.600 -7.621 40 1HG MET 7 2HG MET 7 -11.317 3.168 -9.906 41 2HG MET 7 1HG MET 7 -9.736 2.459 -9.578 42 1HE MET 7 1HE MET 7 -10.328 0.327 -11.073 43 2HE MET 7 2HE MET 7 -11.879 1.081 -11.442 44 3HE MET 7 3HE MET 7 -11.822 -0.593 -10.890 45 H LYS 8 H LYS 8 -7.744 5.954 -7.479 46 HA LYS 8 HA LYS 8 -5.833 3.869 -8.209 47 1HB LYS 8 2HB LYS 8 -5.664 6.849 -7.901 48 2HB LYS 8 1HB LYS 8 -4.200 5.876 -7.879 49 1HG LYS 8 2HG LYS 8 -4.391 6.533 -10.094 50 2HG LYS 8 1HG LYS 8 -5.056 4.899 -10.091 51 1HD LYS 8 2HD LYS 8 -6.783 5.845 -11.179 52 2HD LYS 8 1HD LYS 8 -7.277 6.374 -9.569 53 1HE LYS 8 2HE LYS 8 -5.513 7.983 -11.408 54 2HE LYS 8 1HE LYS 8 -7.263 8.176 -11.305 55 1HZ LYS 8 1HZ LYS 8 -5.356 8.546 -9.058 56 2HZ LYS 8 2HZ LYS 8 -7.032 8.756 -8.977 57 3HZ LYS 8 3HZ LYS 8 -6.096 9.791 -9.932 58 H LYS 9 H LYS 9 -7.048 3.232 -5.903 59 HA LYS 9 HA LYS 9 -4.908 2.925 -4.102 60 1HB LYS 9 2HB LYS 9 -5.749 4.262 -2.210 61 2HB LYS 9 1HB LYS 9 -5.287 5.269 -3.575 62 1HG LYS 9 2HG LYS 9 -8.112 4.460 -3.509 63 2HG LYS 9 1HG LYS 9 -7.592 5.531 -2.205 64 1HD LYS 9 2HD LYS 9 -6.592 6.345 -4.821 65 2HD LYS 9 1HD LYS 9 -8.354 6.312 -4.735 66 1HE LYS 9 2HE LYS 9 -7.899 8.452 -4.018 67 2HE LYS 9 1HE LYS 9 -7.990 7.581 -2.488 68 1HZ LYS 9 1HZ LYS 9 -5.708 8.818 -3.782 69 2HZ LYS 9 2HZ LYS 9 -5.405 7.316 -3.065 70 3HZ LYS 9 3HZ LYS 9 -6.027 8.586 -2.137 71 H TYR 10 H TYR 10 -6.121 0.903 -4.899 72 HA TYR 10 HA TYR 10 -7.571 -0.151 -2.679 73 1HB TYR 10 2HB TYR 10 -9.464 0.940 -3.668 74 2HB TYR 10 1HB TYR 10 -9.037 0.361 -5.273 75 HD1 TYR 10 1HD TYR 10 -10.496 -1.223 -6.078 76 HD2 TYR 10 2HD TYR 10 -9.581 -1.226 -1.923 77 HE1 TYR 10 1HE TYR 10 -11.955 -3.177 -5.764 78 HE2 TYR 10 2HE TYR 10 -11.037 -3.180 -1.598 79 HH TYR 10 HH TYR 10 -13.297 -4.167 -3.743 80 H CYS 11 H CYS 11 -6.457 -1.996 -2.509 81 HA CYS 11 HA CYS 11 -5.524 -3.400 -4.865 82 1HB CYS 11 2HB CYS 11 -4.271 -3.101 -2.604 83 2HB CYS 11 1HB CYS 11 -5.273 -4.439 -2.058 84 H SER 12 H SER 12 -7.184 -4.360 -5.917 85 HA SER 12 HA SER 12 -9.442 -5.530 -4.765 86 1HB SER 12 2HB SER 12 -9.460 -6.855 -7.014 87 2HB SER 12 1HB SER 12 -9.652 -5.102 -7.046 88 HG SER 12 HG SER 12 -7.656 -4.876 -7.832 89 H THR 13 H THR 13 -6.299 -6.920 -5.571 90 HA THR 13 HA THR 13 -6.943 -9.616 -5.140 91 HB THR 13 HB THR 13 -4.291 -8.224 -4.716 92 HG1 THR 13 1HG THR 13 -4.332 -8.041 -6.791 93 1HG2 THR 13 1HG2 THR 13 -4.783 -10.742 -3.959 94 2HG2 THR 13 2HG2 THR 13 -3.233 -10.203 -4.607 95 3HG2 THR 13 3HG2 THR 13 -4.396 -11.009 -5.659 96 H CYS 14 H CYS 14 -5.494 -7.231 -2.930 97 HA CYS 14 HA CYS 14 -5.572 -9.006 -0.691 98 1HB CYS 14 2HB CYS 14 -5.004 -6.064 -0.998 99 2HB CYS 14 1HB CYS 14 -5.006 -6.865 0.566 100 H ASP 15 H ASP 15 -7.731 -6.699 -2.103 101 HA ASP 15 HA ASP 15 -9.933 -6.269 -1.685 102 1HB ASP 15 2HB ASP 15 -9.754 -8.728 -0.679 103 2HB ASP 15 1HB ASP 15 -9.992 -7.860 0.836 104 H ILE 16 H ILE 16 -7.889 -4.587 -0.783 105 HA ILE 16 HA ILE 16 -9.250 -3.312 1.479 106 HB ILE 16 HB ILE 16 -6.252 -3.324 1.388 107 1HG1 ILE 16 2HG1 ILE 16 -7.024 -5.687 1.490 108 2HG1 ILE 16 1HG1 ILE 16 -6.192 -5.176 2.954 109 1HG2 ILE 16 1HG2 ILE 16 -6.753 -3.043 3.923 110 2HG2 ILE 16 2HG2 ILE 16 -8.366 -2.599 3.366 111 3HG2 ILE 16 3HG2 ILE 16 -6.963 -1.674 2.832 112 1HD1 ILE 16 1HD1 ILE 16 -7.977 -5.561 4.221 113 2HD1 ILE 16 2HD1 ILE 16 -8.607 -6.455 2.837 114 3HD1 ILE 16 3HD1 ILE 16 -9.067 -4.769 3.083 115 H SER 17 H SER 17 -8.622 -1.022 1.738 116 HA SER 17 HA SER 17 -7.613 0.194 -0.740 117 1HB SER 17 2HB SER 17 -9.930 0.482 -1.033 118 2HB SER 17 1HB SER 17 -10.200 0.792 0.682 119 HG SER 17 HG SER 17 -9.695 2.825 0.399 120 H PHE 18 H PHE 18 -6.986 2.485 -0.448 121 HA PHE 18 HA PHE 18 -6.301 3.173 2.321 122 1HB PHE 18 2HB PHE 18 -4.309 3.443 0.071 123 2HB PHE 18 1HB PHE 18 -4.025 3.646 1.797 124 HD1 PHE 18 1HD PHE 18 -4.044 1.661 3.287 125 HD2 PHE 18 2HD PHE 18 -4.205 1.317 -0.952 126 HE1 PHE 18 1HE PHE 18 -3.376 -0.700 3.457 127 HE2 PHE 18 2HE PHE 18 -3.538 -1.046 -0.789 128 HZ PHE 18 HZ PHE 18 -3.122 -2.057 1.418 129 H ASN 19 H ASN 19 -6.620 5.257 2.808 130 HA ASN 19 HA ASN 19 -7.841 6.984 0.904 131 1HB ASN 19 2HB ASN 19 -6.759 7.743 3.622 132 2HB ASN 19 1HB ASN 19 -8.007 8.577 2.701 133 1HD2 ASN 19 1HD2 ASN 19 -9.912 7.131 2.121 134 2HD2 ASN 19 2HD2 ASN 19 -10.512 6.124 3.390 135 H TYR 20 H TYR 20 -4.594 6.559 2.079 136 HA TYR 20 HA TYR 20 -3.718 8.990 0.684 137 1HB TYR 20 2HB TYR 20 -2.052 7.222 2.476 138 2HB TYR 20 1HB TYR 20 -1.691 8.861 1.946 139 HD1 TYR 20 1HD TYR 20 -2.866 10.774 2.936 140 HD2 TYR 20 2HD TYR 20 -3.558 6.807 4.309 141 HE1 TYR 20 1HE TYR 20 -3.929 11.669 4.965 142 HE2 TYR 20 2HE TYR 20 -4.624 7.691 6.342 143 HH TYR 20 HH TYR 20 -5.514 10.962 6.677 144 H VAL 21 H VAL 21 -2.737 8.867 -1.222 145 HA VAL 21 HA VAL 21 -2.496 6.504 -2.679 146 HB VAL 21 HB VAL 21 -0.862 8.997 -3.155 147 1HG1 VAL 21 1HG1 VAL 21 -1.983 7.364 -5.353 148 2HG1 VAL 21 2HG1 VAL 21 -0.647 6.666 -4.439 149 3HG1 VAL 21 3HG1 VAL 21 -0.446 8.221 -5.245 150 1HG2 VAL 21 1HG2 VAL 21 -3.758 8.460 -3.515 151 2HG2 VAL 21 2HG2 VAL 21 -2.928 9.360 -4.785 152 3HG2 VAL 21 3HG2 VAL 21 -2.924 9.965 -3.129 153 H LYS 22 H LYS 22 -0.143 8.217 -0.691 154 HA LYS 22 HA LYS 22 2.178 6.873 -1.422 155 1HB LYS 22 2HB LYS 22 2.894 7.356 0.989 156 2HB LYS 22 1HB LYS 22 2.451 8.732 -0.011 157 1HG LYS 22 2HG LYS 22 0.102 7.830 1.286 158 2HG LYS 22 1HG LYS 22 1.382 7.931 2.496 159 1HD LYS 22 2HD LYS 22 0.958 10.173 0.560 160 2HD LYS 22 1HD LYS 22 -0.068 10.026 1.989 161 1HE LYS 22 2HE LYS 22 1.858 10.124 3.436 162 2HE LYS 22 1HE LYS 22 2.945 10.114 2.048 163 1HZ LYS 22 1HZ LYS 22 2.612 12.341 2.999 164 2HZ LYS 22 2HZ LYS 22 0.966 12.252 2.620 165 3HZ LYS 22 3HZ LYS 22 2.120 12.252 1.382 166 H THR 23 H THR 23 -0.460 5.876 0.634 167 HA THR 23 HA THR 23 0.803 3.666 1.863 168 HB THR 23 HB THR 23 -2.137 3.850 1.235 169 HG1 THR 23 1HG THR 23 -2.316 5.084 3.137 170 1HG2 THR 23 1HG2 THR 23 -1.537 1.798 2.312 171 2HG2 THR 23 2HG2 THR 23 -2.374 2.831 3.471 172 3HG2 THR 23 3HG2 THR 23 -0.620 2.664 3.543 173 H TYR 24 H TYR 24 -1.295 3.916 -0.999 174 HA TYR 24 HA TYR 24 -1.297 1.196 -1.669 175 1HB TYR 24 2HB TYR 24 -2.685 3.200 -2.622 176 2HB TYR 24 1HB TYR 24 -1.366 3.325 -3.782 177 HD1 TYR 24 1HD TYR 24 -3.075 0.357 -2.289 178 HD2 TYR 24 2HD TYR 24 -2.133 2.539 -5.818 179 HE1 TYR 24 1HE TYR 24 -4.111 -1.409 -3.649 180 HE2 TYR 24 2HE TYR 24 -3.167 0.779 -7.188 181 HH TYR 24 HH TYR 24 -3.631 -1.763 -6.878 182 H LEU 25 H LEU 25 1.006 3.746 -2.289 183 HA LEU 25 HA LEU 25 2.536 2.340 -4.232 184 1HB LEU 25 2HB LEU 25 2.844 4.806 -2.626 185 2HB LEU 25 1HB LEU 25 4.331 4.059 -3.178 186 HG LEU 25 HG LEU 25 2.164 4.533 -5.171 187 1HD1 LEU 25 1HD1 LEU 25 2.115 6.671 -4.287 188 2HD1 LEU 25 2HD1 LEU 25 3.352 6.804 -5.537 189 3HD1 LEU 25 3HD1 LEU 25 3.821 6.640 -3.845 190 1HD2 LEU 25 1HD2 LEU 25 3.863 4.450 -6.706 191 2HD2 LEU 25 2HD2 LEU 25 4.508 3.382 -5.458 192 3HD2 LEU 25 3HD2 LEU 25 5.070 5.050 -5.569 193 H ALA 26 H ALA 26 3.122 3.020 -0.800 194 HA ALA 26 HA ALA 26 5.357 1.348 -0.556 195 1HB ALA 26 1HB ALA 26 4.562 1.417 1.963 196 2HB ALA 26 2HB ALA 26 3.520 2.698 1.343 197 3HB ALA 26 3HB ALA 26 5.271 2.828 1.178 198 H HIS 27 H HIS 27 2.022 0.664 -0.755 199 HA HIS 27 HA HIS 27 2.019 -1.797 0.688 200 1HB HIS 27 2HB HIS 27 -0.053 -0.562 0.364 201 2HB HIS 27 1HB HIS 27 0.107 -0.698 -1.383 202 HD1 HIS 27 1HD HIS 27 -1.061 -2.568 1.613 203 HD2 HIS 27 2HD HIS 27 -0.448 -3.251 -2.438 204 HE1 HIS 27 1HE HIS 27 -2.246 -4.736 1.072 205 H LYS 28 H LYS 28 1.768 -1.119 -2.812 206 HA LYS 28 HA LYS 28 2.190 -3.804 -3.581 207 1HB LYS 28 2HB LYS 28 2.611 -2.844 -5.846 208 2HB LYS 28 1HB LYS 28 1.114 -2.293 -5.107 209 1HG LYS 28 2HG LYS 28 1.801 -0.259 -5.711 210 2HG LYS 28 1HG LYS 28 2.858 -0.367 -4.302 211 1HD LYS 28 2HD LYS 28 4.302 0.256 -6.023 212 2HD LYS 28 1HD LYS 28 4.529 -1.490 -5.904 213 1HE LYS 28 2HE LYS 28 2.388 -0.703 -7.731 214 2HE LYS 28 1HE LYS 28 3.977 -0.104 -8.204 215 1HZ LYS 28 1HZ LYS 28 3.883 -2.885 -7.382 216 2HZ LYS 28 2HZ LYS 28 4.706 -2.163 -8.672 217 3HZ LYS 28 3HZ LYS 28 3.061 -2.529 -8.818 218 H GLN 29 H GLN 29 4.339 -1.424 -2.444 219 HA GLN 29 HA GLN 29 6.684 -2.160 -3.837 220 1HB GLN 29 2HB GLN 29 5.953 -0.350 -1.733 221 2HB GLN 29 1HB GLN 29 7.404 -1.225 -1.265 222 1HG GLN 29 2HG GLN 29 8.247 0.629 -2.343 223 2HG GLN 29 1HG GLN 29 8.269 -0.598 -3.609 224 1HE2 GLN 29 1HE2 GLN 29 7.206 2.471 -2.710 225 2HE2 GLN 29 2HE2 GLN 29 6.172 2.784 -4.059 226 H PHE 30 H PHE 30 5.882 -2.815 -0.412 227 HA PHE 30 HA PHE 30 6.943 -5.517 -0.715 228 1HB PHE 30 2HB PHE 30 8.130 -4.959 1.606 229 2HB PHE 30 1HB PHE 30 8.938 -4.744 0.057 230 HD1 PHE 30 1HD PHE 30 6.673 -2.822 2.322 231 HD2 PHE 30 2HD PHE 30 10.068 -2.776 -0.243 232 HE1 PHE 30 1HE PHE 30 7.039 -0.448 2.856 233 HE2 PHE 30 2HE PHE 30 10.441 -0.401 0.287 234 HZ PHE 30 HZ PHE 30 8.924 0.766 1.837 235 H TYR 31 H TYR 31 4.361 -3.964 0.062 236 HA TYR 31 HA TYR 31 3.868 -5.355 2.606 237 1HB TYR 31 2HB TYR 31 3.368 -2.728 1.927 238 2HB TYR 31 1HB TYR 31 1.795 -3.488 1.719 239 HD1 TYR 31 1HD TYR 31 4.544 -2.978 4.159 240 HD2 TYR 31 2HD TYR 31 0.460 -4.020 3.581 241 HE1 TYR 31 1HE TYR 31 4.179 -2.869 6.589 242 HE2 TYR 31 2HE TYR 31 0.083 -3.913 6.009 243 HH TYR 31 HH TYR 31 1.326 -4.046 8.073 244 H CYS 32 H CYS 32 3.063 -5.283 -0.721 245 HA CYS 32 HA CYS 32 0.605 -6.797 -0.384 246 1HB CYS 32 2HB CYS 32 0.950 -4.986 -2.140 247 2HB CYS 32 1HB CYS 32 1.998 -6.127 -2.973 248 H LYS 33 H LYS 33 0.292 -8.840 -1.515 249 HA LYS 33 HA LYS 33 2.760 -10.377 -1.918 250 1HB LYS 33 2HB LYS 33 1.847 -12.267 -0.680 251 2HB LYS 33 1HB LYS 33 1.944 -10.847 0.352 252 1HG LYS 33 2HG LYS 33 -0.489 -10.452 -0.142 253 2HG LYS 33 1HG LYS 33 -0.508 -12.042 -0.908 254 1HD LYS 33 2HD LYS 33 -0.105 -13.150 1.101 255 2HD LYS 33 1HD LYS 33 0.520 -11.698 1.886 256 1HE LYS 33 2HE LYS 33 -1.779 -12.441 2.616 257 2HE LYS 33 1HE LYS 33 -1.642 -10.763 2.093 258 1HZ LYS 33 1HZ LYS 33 -3.601 -12.106 1.233 259 2HZ LYS 33 2HZ LYS 33 -2.490 -12.896 0.231 260 3HZ LYS 33 3HZ LYS 33 -2.716 -11.226 0.092 261 H ASN 34 H ASN 34 0.719 -9.165 -3.701 262 HA ASN 34 HA ASN 34 -0.800 -11.348 -4.791 263 1HB ASN 34 2HB ASN 34 -1.636 -9.046 -4.928 264 2HB ASN 34 1HB ASN 34 -0.245 -8.588 -5.906 265 1HD2 ASN 34 1HD2 ASN 34 -2.365 -11.425 -6.012 266 2HD2 ASN 34 2HD2 ASN 34 -2.871 -11.201 -7.648 267 H LYS 35 H LYS 35 1.419 -12.554 -4.843 268 HA LYS 35 HA LYS 35 3.294 -12.021 -6.853 269 1HB LYS 35 2HB LYS 35 3.987 -14.356 -6.586 270 2HB LYS 35 1HB LYS 35 3.725 -13.588 -5.026 271 1HG LYS 35 2HG LYS 35 1.432 -14.636 -5.028 272 2HG LYS 35 1HG LYS 35 1.960 -15.574 -6.427 273 1HD LYS 35 2HD LYS 35 3.595 -16.710 -5.188 274 2HD LYS 35 1HD LYS 35 3.540 -15.533 -3.875 275 1HE LYS 35 2HE LYS 35 1.007 -16.922 -4.451 276 2HE LYS 35 1HE LYS 35 2.302 -17.936 -3.816 277 1HZ LYS 35 1HZ LYS 35 2.231 -16.929 -1.817 278 2HZ LYS 35 2HZ LYS 35 0.644 -16.562 -2.274 279 3HZ LYS 35 3HZ LYS 35 1.865 -15.404 -2.453 280 HA PRO 36 HA PRO 36 1.265 -13.166 -10.596 281 1HB PRO 36 2HB PRO 36 3.343 -14.108 -12.066 282 2HB PRO 36 1HB PRO 36 3.121 -12.391 -11.711 283 1HG PRO 36 2HG PRO 36 4.913 -14.384 -10.376 284 2HG PRO 36 1HG PRO 36 5.259 -12.711 -10.852 285 1HD PRO 36 2HD PRO 36 4.657 -13.406 -8.305 286 2HD PRO 36 1HD PRO 36 4.211 -11.833 -8.997 Start of MODEL 16 1 1H GLY 1 1HT GLY 1 -18.810 8.607 -20.987 2 2H GLY 1 2HT GLY 1 -18.294 7.513 -19.807 3 3H GLY 1 3HT GLY 1 -18.788 6.949 -21.322 4 1HA GLY 1 1HA GLY 1 -16.462 6.851 -21.385 5 2HA GLY 1 2HA GLY 1 -16.916 8.271 -22.315 6 H SER 2 H SER 2 -17.630 9.738 -19.825 7 HA SER 2 HA SER 2 -14.943 10.143 -18.702 8 1HB SER 2 2HB SER 2 -16.816 12.401 -19.435 9 2HB SER 2 1HB SER 2 -15.151 12.533 -18.867 10 HG SER 2 HG SER 2 -14.443 11.669 -20.793 11 H ALA 3 H ALA 3 -15.446 12.132 -16.930 12 HA ALA 3 HA ALA 3 -16.224 12.534 -14.830 13 1HB ALA 3 1HB ALA 3 -18.825 11.209 -15.328 14 2HB ALA 3 2HB ALA 3 -18.402 12.571 -16.368 15 3HB ALA 3 3HB ALA 3 -18.469 12.785 -14.619 16 H ALA 4 H ALA 4 -14.837 10.059 -15.367 17 HA ALA 4 HA ALA 4 -16.145 8.076 -13.685 18 1HB ALA 4 1HB ALA 4 -15.153 6.942 -15.397 19 2HB ALA 4 2HB ALA 4 -13.839 6.893 -14.222 20 3HB ALA 4 3HB ALA 4 -13.814 8.081 -15.525 21 H GLU 5 H GLU 5 -13.472 10.336 -13.585 22 HA GLU 5 HA GLU 5 -12.155 11.081 -11.886 23 1HB GLU 5 2HB GLU 5 -14.388 11.253 -10.740 24 2HB GLU 5 1HB GLU 5 -14.084 9.669 -10.040 25 1HG GLU 5 2HG GLU 5 -12.260 10.470 -8.775 26 2HG GLU 5 1HG GLU 5 -12.219 11.991 -9.667 27 H VAL 6 H VAL 6 -10.207 10.316 -11.427 28 HA VAL 6 HA VAL 6 -9.531 7.604 -11.556 29 HB VAL 6 HB VAL 6 -7.887 9.347 -11.965 30 1HG1 VAL 6 1HG1 VAL 6 -7.497 9.931 -9.092 31 2HG1 VAL 6 2HG1 VAL 6 -8.892 10.670 -9.878 32 3HG1 VAL 6 3HG1 VAL 6 -7.269 10.966 -10.502 33 1HG2 VAL 6 1HG2 VAL 6 -6.019 8.337 -10.929 34 2HG2 VAL 6 2HG2 VAL 6 -7.218 7.058 -11.125 35 3HG2 VAL 6 3HG2 VAL 6 -6.979 7.808 -9.547 36 H MET 7 H MET 7 -8.586 6.268 -9.877 37 HA MET 7 HA MET 7 -8.924 6.795 -7.125 38 1HB MET 7 2HB MET 7 -10.728 5.062 -6.727 39 2HB MET 7 1HB MET 7 -11.266 6.580 -7.432 40 1HG MET 7 2HG MET 7 -11.134 5.456 -9.676 41 2HG MET 7 1HG MET 7 -10.887 3.940 -8.811 42 1HE MET 7 1HE MET 7 -14.491 6.664 -8.275 43 2HE MET 7 2HE MET 7 -13.975 6.475 -9.950 44 3HE MET 7 3HE MET 7 -12.849 7.103 -8.747 45 H LYS 8 H LYS 8 -6.714 6.018 -7.885 46 HA LYS 8 HA LYS 8 -6.532 3.107 -8.047 47 1HB LYS 8 2HB LYS 8 -4.636 5.361 -8.583 48 2HB LYS 8 1HB LYS 8 -3.998 3.756 -8.254 49 1HG LYS 8 2HG LYS 8 -6.009 4.351 -10.411 50 2HG LYS 8 1HG LYS 8 -4.264 4.298 -10.670 51 1HD LYS 8 2HD LYS 8 -4.183 2.041 -10.542 52 2HD LYS 8 1HD LYS 8 -5.432 1.962 -9.298 53 1HE LYS 8 2HE LYS 8 -6.679 1.114 -10.972 54 2HE LYS 8 1HE LYS 8 -6.896 2.812 -11.396 55 1HZ LYS 8 1HZ LYS 8 -4.665 1.216 -12.499 56 2HZ LYS 8 2HZ LYS 8 -5.311 2.666 -13.081 57 3HZ LYS 8 3HZ LYS 8 -6.190 1.229 -13.232 58 H LYS 9 H LYS 9 -7.482 3.818 -5.645 59 HA LYS 9 HA LYS 9 -5.186 3.364 -3.858 60 1HB LYS 9 2HB LYS 9 -6.241 4.719 -2.146 61 2HB LYS 9 1HB LYS 9 -6.040 5.668 -3.611 62 1HG LYS 9 2HG LYS 9 -8.527 4.719 -4.003 63 2HG LYS 9 1HG LYS 9 -8.491 4.793 -2.241 64 1HD LYS 9 2HD LYS 9 -7.397 7.156 -3.605 65 2HD LYS 9 1HD LYS 9 -9.121 6.882 -3.863 66 1HE LYS 9 2HE LYS 9 -9.650 7.310 -1.704 67 2HE LYS 9 1HE LYS 9 -8.161 6.599 -1.087 68 1HZ LYS 9 1HZ LYS 9 -8.056 8.906 -0.667 69 2HZ LYS 9 2HZ LYS 9 -8.525 9.303 -2.243 70 3HZ LYS 9 3HZ LYS 9 -7.003 8.621 -1.961 71 H TYR 10 H TYR 10 -6.282 1.180 -4.785 72 HA TYR 10 HA TYR 10 -7.434 -0.057 -2.490 73 1HB TYR 10 2HB TYR 10 -9.419 1.063 -3.600 74 2HB TYR 10 1HB TYR 10 -9.169 -0.025 -4.961 75 HD1 TYR 10 1HD TYR 10 -9.006 -2.595 -4.262 76 HD2 TYR 10 2HD TYR 10 -10.940 0.436 -1.989 77 HE1 TYR 10 1HE TYR 10 -10.365 -4.311 -3.142 78 HE2 TYR 10 2HE TYR 10 -12.303 -1.272 -0.861 79 HH TYR 10 HH TYR 10 -12.609 -4.403 -1.962 80 H CYS 11 H CYS 11 -6.456 -1.960 -2.411 81 HA CYS 11 HA CYS 11 -5.330 -3.128 -4.811 82 1HB CYS 11 2HB CYS 11 -4.165 -3.019 -2.538 83 2HB CYS 11 1HB CYS 11 -5.255 -4.307 -2.036 84 H SER 12 H SER 12 -6.777 -4.135 -6.076 85 HA SER 12 HA SER 12 -9.136 -5.375 -5.241 86 1HB SER 12 2HB SER 12 -8.840 -6.627 -7.523 87 2HB SER 12 1HB SER 12 -9.102 -4.883 -7.512 88 HG SER 12 HG SER 12 -7.292 -4.767 -8.553 89 H THR 13 H THR 13 -5.884 -6.657 -5.665 90 HA THR 13 HA THR 13 -6.521 -9.389 -5.412 91 HB THR 13 HB THR 13 -3.950 -8.007 -4.621 92 HG1 THR 13 1HG THR 13 -4.811 -9.031 -7.120 93 1HG2 THR 13 1HG2 THR 13 -3.315 -10.049 -4.021 94 2HG2 THR 13 2HG2 THR 13 -3.301 -10.414 -5.746 95 3HG2 THR 13 3HG2 THR 13 -4.719 -10.805 -4.773 96 H CYS 14 H CYS 14 -5.319 -7.070 -2.986 97 HA CYS 14 HA CYS 14 -5.614 -8.913 -0.827 98 1HB CYS 14 2HB CYS 14 -5.065 -5.953 -0.974 99 2HB CYS 14 1HB CYS 14 -5.207 -6.813 0.550 100 H ASP 15 H ASP 15 -7.647 -6.563 -2.365 101 HA ASP 15 HA ASP 15 -9.877 -6.141 -2.148 102 1HB ASP 15 2HB ASP 15 -9.831 -8.658 -1.359 103 2HB ASP 15 1HB ASP 15 -10.139 -7.949 0.224 104 H ILE 16 H ILE 16 -8.233 -4.330 -1.126 105 HA ILE 16 HA ILE 16 -9.741 -3.300 1.136 106 HB ILE 16 HB ILE 16 -6.751 -3.237 1.360 107 1HG1 ILE 16 2HG1 ILE 16 -8.580 -5.364 2.499 108 2HG1 ILE 16 1HG1 ILE 16 -7.373 -5.612 1.241 109 1HG2 ILE 16 1HG2 ILE 16 -9.072 -2.768 3.193 110 2HG2 ILE 16 2HG2 ILE 16 -7.736 -1.689 2.793 111 3HG2 ILE 16 3HG2 ILE 16 -7.459 -3.092 3.824 112 1HD1 ILE 16 1HD1 ILE 16 -6.609 -4.572 3.940 113 2HD1 ILE 16 2HD1 ILE 16 -5.603 -5.364 2.728 114 3HD1 ILE 16 3HD1 ILE 16 -6.795 -6.299 3.632 115 H SER 17 H SER 17 -9.201 -1.017 1.595 116 HA SER 17 HA SER 17 -8.273 0.357 -0.840 117 1HB SER 17 2HB SER 17 -9.927 1.964 -0.581 118 2HB SER 17 1HB SER 17 -10.760 0.518 -0.014 119 HG SER 17 HG SER 17 -10.983 1.480 1.827 120 H PHE 18 H PHE 18 -7.566 2.684 -0.331 121 HA PHE 18 HA PHE 18 -6.212 2.907 2.248 122 1HB PHE 18 2HB PHE 18 -4.764 3.236 -0.388 123 2HB PHE 18 1HB PHE 18 -4.073 3.462 1.217 124 HD1 PHE 18 1HD PHE 18 -3.586 1.556 2.642 125 HD2 PHE 18 2HD PHE 18 -5.157 1.039 -1.279 126 HE1 PHE 18 1HE PHE 18 -2.952 -0.821 2.706 127 HE2 PHE 18 2HE PHE 18 -4.527 -1.339 -1.223 128 HZ PHE 18 HZ PHE 18 -3.424 -2.272 0.772 129 H ASN 19 H ASN 19 -6.521 4.866 3.068 130 HA ASN 19 HA ASN 19 -7.844 6.911 1.624 131 1HB ASN 19 2HB ASN 19 -7.727 6.405 4.206 132 2HB ASN 19 1HB ASN 19 -6.348 7.498 4.148 133 1HD2 ASN 19 1HD2 ASN 19 -9.390 7.465 4.996 134 2HD2 ASN 19 2HD2 ASN 19 -9.900 9.050 4.532 135 H TYR 20 H TYR 20 -4.484 6.283 2.387 136 HA TYR 20 HA TYR 20 -3.713 8.787 1.053 137 1HB TYR 20 2HB TYR 20 -1.945 6.979 2.705 138 2HB TYR 20 1HB TYR 20 -1.594 8.618 2.166 139 HD1 TYR 20 1HD TYR 20 -2.056 10.420 3.566 140 HD2 TYR 20 2HD TYR 20 -3.961 6.688 4.302 141 HE1 TYR 20 1HE TYR 20 -2.979 11.311 5.665 142 HE2 TYR 20 2HE TYR 20 -4.889 7.568 6.401 143 HH TYR 20 HH TYR 20 -4.384 9.345 8.037 144 H VAL 21 H VAL 21 -2.827 8.725 -0.907 145 HA VAL 21 HA VAL 21 -2.667 6.385 -2.428 146 HB VAL 21 HB VAL 21 -1.145 8.939 -2.956 147 1HG1 VAL 21 1HG1 VAL 21 -0.723 8.178 -5.033 148 2HG1 VAL 21 2HG1 VAL 21 -2.278 7.355 -5.161 149 3HG1 VAL 21 3HG1 VAL 21 -0.949 6.597 -4.286 150 1HG2 VAL 21 1HG2 VAL 21 -3.683 8.560 -4.352 151 2HG2 VAL 21 2HG2 VAL 21 -3.029 9.991 -3.556 152 3HG2 VAL 21 3HG2 VAL 21 -3.858 8.757 -2.608 153 H LYS 22 H LYS 22 -0.225 8.097 -0.556 154 HA LYS 22 HA LYS 22 2.070 6.826 -1.470 155 1HB LYS 22 2HB LYS 22 1.437 7.749 1.339 156 2HB LYS 22 1HB LYS 22 3.043 7.365 0.740 157 1HG LYS 22 2HG LYS 22 3.221 9.293 -0.436 158 2HG LYS 22 1HG LYS 22 1.490 9.377 -0.773 159 1HD LYS 22 2HD LYS 22 1.018 10.209 1.397 160 2HD LYS 22 1HD LYS 22 2.645 9.835 1.968 161 1HE LYS 22 2HE LYS 22 2.494 12.199 1.591 162 2HE LYS 22 1HE LYS 22 3.533 11.498 0.352 163 1HZ LYS 22 1HZ LYS 22 2.223 12.726 -0.986 164 2HZ LYS 22 2HZ LYS 22 0.921 12.749 0.094 165 3HZ LYS 22 3HZ LYS 22 1.188 11.392 -0.879 166 H THR 23 H THR 23 -0.433 5.699 0.674 167 HA THR 23 HA THR 23 0.936 3.498 1.795 168 HB THR 23 HB THR 23 -2.026 3.590 1.266 169 HG1 THR 23 1HG THR 23 -2.166 4.763 3.236 170 1HG2 THR 23 1HG2 THR 23 -1.385 1.554 2.293 171 2HG2 THR 23 2HG2 THR 23 -2.114 2.566 3.540 172 3HG2 THR 23 3HG2 THR 23 -0.360 2.392 3.458 173 H TYR 24 H TYR 24 -1.282 3.745 -0.976 174 HA TYR 24 HA TYR 24 -1.220 1.048 -1.720 175 1HB TYR 24 2HB TYR 24 -2.727 2.985 -2.570 176 2HB TYR 24 1HB TYR 24 -1.440 3.267 -3.738 177 HD1 TYR 24 1HD TYR 24 -3.204 0.250 -2.393 178 HD2 TYR 24 2HD TYR 24 -1.908 2.412 -5.820 179 HE1 TYR 24 1HE TYR 24 -4.146 -1.498 -3.843 180 HE2 TYR 24 2HE TYR 24 -2.847 0.670 -7.280 181 HH TYR 24 HH TYR 24 -5.001 -1.297 -6.649 182 H LEU 25 H LEU 25 0.956 3.699 -2.408 183 HA LEU 25 HA LEU 25 2.455 2.407 -4.434 184 1HB LEU 25 2HB LEU 25 2.426 4.923 -3.289 185 2HB LEU 25 1HB LEU 25 3.970 4.272 -2.774 186 HG LEU 25 HG LEU 25 4.110 3.653 -5.378 187 1HD1 LEU 25 1HD1 LEU 25 2.382 6.117 -5.241 188 2HD1 LEU 25 2HD1 LEU 25 1.962 4.567 -5.971 189 3HD1 LEU 25 3HD1 LEU 25 3.235 5.561 -6.681 190 1HD2 LEU 25 1HD2 LEU 25 4.769 6.296 -4.089 191 2HD2 LEU 25 2HD2 LEU 25 5.376 5.776 -5.661 192 3HD2 LEU 25 3HD2 LEU 25 5.807 4.876 -4.208 193 H ALA 26 H ALA 26 3.304 3.028 -1.043 194 HA ALA 26 HA ALA 26 5.511 1.312 -0.988 195 1HB ALA 26 1HB ALA 26 5.025 1.364 1.562 196 2HB ALA 26 2HB ALA 26 3.800 2.553 1.122 197 3HB ALA 26 3HB ALA 26 5.495 2.850 0.739 198 H HIS 27 H HIS 27 2.153 0.680 -0.915 199 HA HIS 27 HA HIS 27 2.221 -1.803 0.479 200 1HB HIS 27 2HB HIS 27 0.150 -0.530 0.300 201 2HB HIS 27 1HB HIS 27 0.190 -0.666 -1.454 202 HD1 HIS 27 1HD HIS 27 -0.853 -2.488 1.604 203 HD2 HIS 27 2HD HIS 27 -0.419 -3.245 -2.458 204 HE1 HIS 27 1HE HIS 27 -2.096 -4.643 1.147 205 H LYS 28 H LYS 28 1.779 -1.065 -2.988 206 HA LYS 28 HA LYS 28 2.106 -3.754 -3.808 207 1HB LYS 28 2HB LYS 28 2.299 -1.142 -5.307 208 2HB LYS 28 1HB LYS 28 2.463 -2.706 -6.093 209 1HG LYS 28 2HG LYS 28 0.050 -1.900 -4.490 210 2HG LYS 28 1HG LYS 28 0.192 -1.669 -6.234 211 1HD LYS 28 2HD LYS 28 0.433 -4.325 -4.821 212 2HD LYS 28 1HD LYS 28 -1.029 -3.736 -5.616 213 1HE LYS 28 2HE LYS 28 -0.220 -4.851 -7.394 214 2HE LYS 28 1HE LYS 28 0.786 -3.419 -7.597 215 1HZ LYS 28 1HZ LYS 28 1.769 -5.873 -7.455 216 2HZ LYS 28 2HZ LYS 28 1.813 -5.473 -5.812 217 3HZ LYS 28 3HZ LYS 28 2.629 -4.510 -6.939 218 H GLN 29 H GLN 29 4.349 -1.410 -2.797 219 HA GLN 29 HA GLN 29 6.585 -2.148 -4.361 220 1HB GLN 29 2HB GLN 29 6.042 -0.438 -2.074 221 2HB GLN 29 1HB GLN 29 7.589 -1.258 -1.920 222 1HG GLN 29 2HG GLN 29 8.401 0.412 -3.139 223 2HG GLN 29 1HG GLN 29 7.649 -0.397 -4.512 224 1HE2 GLN 29 1HE2 GLN 29 6.082 0.617 -5.593 225 2HE2 GLN 29 2HE2 GLN 29 5.371 2.122 -5.132 226 H PHE 30 H PHE 30 5.987 -2.858 -0.908 227 HA PHE 30 HA PHE 30 6.920 -5.581 -1.299 228 1HB PHE 30 2HB PHE 30 8.410 -5.073 0.848 229 2HB PHE 30 1HB PHE 30 9.029 -4.901 -0.790 230 HD1 PHE 30 1HD PHE 30 6.946 -2.766 1.454 231 HD2 PHE 30 2HD PHE 30 10.423 -3.093 -0.976 232 HE1 PHE 30 1HE PHE 30 7.486 -0.410 1.916 233 HE2 PHE 30 2HE PHE 30 10.970 -0.738 -0.517 234 HZ PHE 30 HZ PHE 30 9.500 0.606 0.930 235 H TYR 31 H TYR 31 4.504 -3.975 -0.289 236 HA TYR 31 HA TYR 31 4.275 -5.248 2.353 237 1HB TYR 31 2HB TYR 31 3.732 -2.628 1.576 238 2HB TYR 31 1HB TYR 31 2.146 -3.377 1.713 239 HD1 TYR 31 1HD TYR 31 4.846 -1.878 3.484 240 HD2 TYR 31 2HD TYR 31 1.629 -4.630 3.905 241 HE1 TYR 31 1HE TYR 31 4.935 -1.600 5.924 242 HE2 TYR 31 2HE TYR 31 1.709 -4.359 6.347 243 HH TYR 31 HH TYR 31 4.290 -2.760 7.935 244 H CYS 32 H CYS 32 3.021 -5.193 -0.854 245 HA CYS 32 HA CYS 32 0.523 -6.458 -0.268 246 1HB CYS 32 2HB CYS 32 1.020 -5.056 -2.310 247 2HB CYS 32 1HB CYS 32 1.972 -6.407 -2.917 248 H LYS 33 H LYS 33 -0.026 -8.591 -0.348 249 HA LYS 33 HA LYS 33 2.212 -10.488 -0.420 250 1HB LYS 33 2HB LYS 33 -0.566 -10.713 0.747 251 2HB LYS 33 1HB LYS 33 0.586 -12.042 0.698 252 1HG LYS 33 2HG LYS 33 1.909 -11.142 2.323 253 2HG LYS 33 1HG LYS 33 1.449 -9.483 1.934 254 1HD LYS 33 2HD LYS 33 -0.927 -10.478 2.756 255 2HD LYS 33 1HD LYS 33 0.181 -11.430 3.747 256 1HE LYS 33 2HE LYS 33 0.965 -9.593 4.878 257 2HE LYS 33 1HE LYS 33 0.604 -8.489 3.552 258 1HZ LYS 33 1HZ LYS 33 -1.062 -7.927 4.955 259 2HZ LYS 33 2HZ LYS 33 -1.127 -9.446 5.696 260 3HZ LYS 33 3HZ LYS 33 -1.845 -9.214 4.182 261 H ASN 34 H ASN 34 1.188 -9.479 -2.864 262 HA ASN 34 HA ASN 34 -0.488 -11.592 -3.962 263 1HB ASN 34 2HB ASN 34 -0.508 -10.228 -6.006 264 2HB ASN 34 1HB ASN 34 -0.966 -9.272 -4.599 265 1HD2 ASN 34 1HD2 ASN 34 0.445 -8.843 -7.328 266 2HD2 ASN 34 2HD2 ASN 34 1.759 -7.801 -6.916 267 H LYS 35 H LYS 35 1.764 -12.759 -3.168 268 HA LYS 35 HA LYS 35 3.479 -14.097 -3.831 269 1HB LYS 35 2HB LYS 35 1.582 -14.378 -5.734 270 2HB LYS 35 1HB LYS 35 2.908 -13.773 -6.718 271 1HG LYS 35 2HG LYS 35 3.244 -16.096 -4.849 272 2HG LYS 35 1HG LYS 35 2.671 -16.291 -6.507 273 1HD LYS 35 2HD LYS 35 4.698 -15.794 -7.410 274 2HD LYS 35 1HD LYS 35 5.127 -14.681 -6.111 275 1HE LYS 35 2HE LYS 35 4.896 -17.569 -5.453 276 2HE LYS 35 1HE LYS 35 6.297 -17.046 -6.387 277 1HZ LYS 35 1HZ LYS 35 6.577 -17.060 -3.908 278 2HZ LYS 35 2HZ LYS 35 5.496 -15.760 -3.840 279 3HZ LYS 35 3HZ LYS 35 6.962 -15.597 -4.669 280 HA PRO 36 HA PRO 36 6.102 -10.465 -4.903 281 1HB PRO 36 2HB PRO 36 8.034 -11.017 -3.081 282 2HB PRO 36 1HB PRO 36 6.563 -10.127 -2.676 283 1HG PRO 36 2HG PRO 36 7.207 -13.018 -2.240 284 2HG PRO 36 1HG PRO 36 6.420 -11.869 -1.142 285 1HD PRO 36 2HD PRO 36 5.029 -13.680 -2.597 286 2HD PRO 36 1HD PRO 36 4.374 -12.084 -2.180 Start of MODEL 17 1 1H GLY 1 1HT GLY 1 -0.460 2.673 -14.924 2 2H GLY 1 2HT GLY 1 0.383 1.290 -14.435 3 3H GLY 1 3HT GLY 1 -0.628 1.230 -15.790 4 1HA GLY 1 1HA GLY 1 2.064 2.332 -15.516 5 2HA GLY 1 2HA GLY 1 1.360 1.425 -16.846 6 H SER 2 H SER 2 2.602 4.308 -16.129 7 HA SER 2 HA SER 2 2.526 6.383 -17.055 8 1HB SER 2 2HB SER 2 2.073 6.522 -19.348 9 2HB SER 2 1HB SER 2 2.501 4.825 -19.133 10 HG SER 2 HG SER 2 0.477 4.248 -19.492 11 H ALA 3 H ALA 3 0.704 7.874 -18.357 12 HA ALA 3 HA ALA 3 -1.159 9.146 -18.064 13 1HB ALA 3 1HB ALA 3 -2.330 7.103 -18.699 14 2HB ALA 3 2HB ALA 3 -3.248 8.009 -17.496 15 3HB ALA 3 3HB ALA 3 -2.340 6.576 -17.016 16 H ALA 4 H ALA 4 -0.377 10.558 -16.530 17 HA ALA 4 HA ALA 4 -0.127 9.983 -13.780 18 1HB ALA 4 1HB ALA 4 0.659 12.089 -13.586 19 2HB ALA 4 2HB ALA 4 -0.658 12.783 -14.533 20 3HB ALA 4 3HB ALA 4 0.701 12.009 -15.347 21 H GLU 5 H GLU 5 -1.350 11.506 -12.152 22 HA GLU 5 HA GLU 5 -3.274 11.905 -11.010 23 1HB GLU 5 2HB GLU 5 -3.625 13.397 -13.032 24 2HB GLU 5 1HB GLU 5 -4.624 12.114 -13.701 25 1HG GLU 5 2HG GLU 5 -5.322 12.918 -10.970 26 2HG GLU 5 1HG GLU 5 -5.542 14.167 -12.195 27 H VAL 6 H VAL 6 -2.795 9.408 -10.792 28 HA VAL 6 HA VAL 6 -5.195 7.928 -11.645 29 HB VAL 6 HB VAL 6 -2.571 6.756 -10.722 30 1HG1 VAL 6 1HG1 VAL 6 -4.354 5.215 -10.378 31 2HG1 VAL 6 2HG1 VAL 6 -3.504 4.709 -11.838 32 3HG1 VAL 6 3HG1 VAL 6 -5.043 5.563 -11.965 33 1HG2 VAL 6 1HG2 VAL 6 -3.464 7.708 -13.370 34 2HG2 VAL 6 2HG2 VAL 6 -2.678 6.129 -13.333 35 3HG2 VAL 6 3HG2 VAL 6 -1.837 7.546 -12.707 36 H MET 7 H MET 7 -6.073 6.366 -10.119 37 HA MET 7 HA MET 7 -5.477 6.952 -7.307 38 1HB MET 7 2HB MET 7 -8.113 6.642 -7.074 39 2HB MET 7 1HB MET 7 -7.380 8.213 -7.358 40 1HG MET 7 2HG MET 7 -9.336 7.829 -8.771 41 2HG MET 7 1HG MET 7 -7.867 8.057 -9.717 42 1HE MET 7 1HE MET 7 -7.400 6.626 -11.718 43 2HE MET 7 2HE MET 7 -9.090 7.115 -11.842 44 3HE MET 7 3HE MET 7 -8.620 5.460 -12.232 45 H LYS 8 H LYS 8 -4.326 4.864 -7.939 46 HA LYS 8 HA LYS 8 -6.096 2.540 -7.869 47 1HB LYS 8 2HB LYS 8 -3.085 2.535 -8.071 48 2HB LYS 8 1HB LYS 8 -4.189 1.226 -8.467 49 1HG LYS 8 2HG LYS 8 -5.069 3.195 -10.124 50 2HG LYS 8 1HG LYS 8 -3.336 3.524 -10.065 51 1HD LYS 8 2HD LYS 8 -3.699 2.030 -11.880 52 2HD LYS 8 1HD LYS 8 -2.962 1.091 -10.581 53 1HE LYS 8 2HE LYS 8 -5.914 1.188 -10.624 54 2HE LYS 8 1HE LYS 8 -5.142 0.296 -11.935 55 1HZ LYS 8 1HZ LYS 8 -3.798 -0.644 -9.843 56 2HZ LYS 8 2HZ LYS 8 -5.210 -1.363 -10.437 57 3HZ LYS 8 3HZ LYS 8 -5.286 -0.325 -9.102 58 H LYS 9 H LYS 9 -6.305 3.873 -5.564 59 HA LYS 9 HA LYS 9 -4.492 2.629 -3.636 60 1HB LYS 9 2HB LYS 9 -6.690 4.585 -2.994 61 2HB LYS 9 1HB LYS 9 -5.257 4.208 -2.046 62 1HG LYS 9 2HG LYS 9 -4.414 6.076 -2.919 63 2HG LYS 9 1HG LYS 9 -4.170 5.118 -4.380 64 1HD LYS 9 2HD LYS 9 -5.293 7.207 -4.913 65 2HD LYS 9 1HD LYS 9 -6.372 5.840 -5.202 66 1HE LYS 9 2HE LYS 9 -7.776 6.416 -3.515 67 2HE LYS 9 1HE LYS 9 -6.480 7.074 -2.517 68 1HZ LYS 9 1HZ LYS 9 -6.511 9.082 -3.683 69 2HZ LYS 9 2HZ LYS 9 -8.146 8.705 -3.468 70 3HZ LYS 9 3HZ LYS 9 -7.410 8.444 -4.968 71 H TYR 10 H TYR 10 -6.205 0.889 -4.939 72 HA TYR 10 HA TYR 10 -7.714 -0.147 -2.678 73 1HB TYR 10 2HB TYR 10 -9.382 1.159 -3.891 74 2HB TYR 10 1HB TYR 10 -8.967 0.337 -5.391 75 HD1 TYR 10 1HD TYR 10 -10.619 -1.111 -6.071 76 HD2 TYR 10 2HD TYR 10 -9.778 -0.788 -1.913 77 HE1 TYR 10 1HE TYR 10 -12.315 -2.830 -5.601 78 HE2 TYR 10 2HE TYR 10 -11.470 -2.506 -1.431 79 HH TYR 10 HH TYR 10 -13.813 -3.395 -3.439 80 H CYS 11 H CYS 11 -6.485 -1.950 -2.477 81 HA CYS 11 HA CYS 11 -5.734 -3.501 -4.806 82 1HB CYS 11 2HB CYS 11 -4.390 -3.096 -2.573 83 2HB CYS 11 1HB CYS 11 -5.324 -4.475 -2.007 84 H SER 12 H SER 12 -7.565 -4.378 -5.675 85 HA SER 12 HA SER 12 -9.705 -5.497 -4.272 86 1HB SER 12 2HB SER 12 -8.995 -6.685 -6.903 87 2HB SER 12 1HB SER 12 -10.543 -6.072 -6.324 88 HG SER 12 HG SER 12 -9.618 -3.940 -6.542 89 H THR 13 H THR 13 -6.728 -6.972 -5.485 90 HA THR 13 HA THR 13 -7.346 -9.646 -4.983 91 HB THR 13 HB THR 13 -4.583 -8.529 -4.586 92 HG1 THR 13 1HG THR 13 -4.550 -7.850 -6.554 93 1HG2 THR 13 1HG2 THR 13 -3.836 -10.580 -4.983 94 2HG2 THR 13 2HG2 THR 13 -4.938 -10.815 -6.339 95 3HG2 THR 13 3HG2 THR 13 -5.492 -11.110 -4.691 96 H CYS 14 H CYS 14 -5.834 -7.228 -2.874 97 HA CYS 14 HA CYS 14 -5.689 -9.057 -0.653 98 1HB CYS 14 2HB CYS 14 -5.060 -6.131 -1.002 99 2HB CYS 14 1HB CYS 14 -4.963 -6.933 0.557 100 H ASP 15 H ASP 15 -7.898 -6.692 -1.875 101 HA ASP 15 HA ASP 15 -10.048 -6.215 -1.273 102 1HB ASP 15 2HB ASP 15 -9.850 -8.658 -0.254 103 2HB ASP 15 1HB ASP 15 -9.896 -7.775 1.268 104 H ILE 16 H ILE 16 -8.256 -4.353 -0.788 105 HA ILE 16 HA ILE 16 -9.240 -3.103 1.644 106 HB ILE 16 HB ILE 16 -6.270 -3.088 1.209 107 1HG1 ILE 16 2HG1 ILE 16 -7.820 -5.040 2.930 108 2HG1 ILE 16 1HG1 ILE 16 -6.921 -5.445 1.472 109 1HG2 ILE 16 1HG2 ILE 16 -8.137 -2.365 3.436 110 2HG2 ILE 16 2HG2 ILE 16 -6.897 -1.382 2.657 111 3HG2 ILE 16 3HG2 ILE 16 -6.431 -2.689 3.746 112 1HD1 ILE 16 1HD1 ILE 16 -5.736 -6.007 3.561 113 2HD1 ILE 16 2HD1 ILE 16 -5.694 -4.290 3.963 114 3HD1 ILE 16 3HD1 ILE 16 -4.846 -4.882 2.535 115 H SER 17 H SER 17 -8.599 -0.796 1.769 116 HA SER 17 HA SER 17 -7.801 0.376 -0.791 117 1HB SER 17 2HB SER 17 -10.433 0.193 -0.284 118 2HB SER 17 1HB SER 17 -10.089 1.695 0.574 119 HG SER 17 HG SER 17 -9.981 2.654 -1.281 120 H PHE 18 H PHE 18 -7.154 2.618 -0.626 121 HA PHE 18 HA PHE 18 -6.627 3.562 2.099 122 1HB PHE 18 2HB PHE 18 -4.481 3.715 -0.004 123 2HB PHE 18 1HB PHE 18 -4.330 3.913 1.739 124 HD1 PHE 18 1HD PHE 18 -5.133 1.735 3.094 125 HD2 PHE 18 2HD PHE 18 -3.660 1.779 -0.898 126 HE1 PHE 18 1HE PHE 18 -4.497 -0.632 3.306 127 HE2 PHE 18 2HE PHE 18 -3.022 -0.589 -0.693 128 HZ PHE 18 HZ PHE 18 -3.440 -1.797 1.411 129 H ASN 19 H ASN 19 -6.792 5.725 2.364 130 HA ASN 19 HA ASN 19 -7.934 7.253 0.222 131 1HB ASN 19 2HB ASN 19 -7.040 8.256 2.929 132 2HB ASN 19 1HB ASN 19 -8.207 9.008 1.845 133 1HD2 ASN 19 1HD2 ASN 19 -9.849 7.057 1.123 134 2HD2 ASN 19 2HD2 ASN 19 -10.643 6.359 2.490 135 H TYR 20 H TYR 20 -4.777 6.848 1.584 136 HA TYR 20 HA TYR 20 -3.774 9.135 0.030 137 1HB TYR 20 2HB TYR 20 -2.411 7.607 2.258 138 2HB TYR 20 1HB TYR 20 -1.778 9.033 1.442 139 HD1 TYR 20 1HD TYR 20 -2.322 11.185 2.204 140 HD2 TYR 20 2HD TYR 20 -4.566 7.847 3.591 141 HE1 TYR 20 1HE TYR 20 -3.438 12.629 3.853 142 HE2 TYR 20 2HE TYR 20 -5.688 9.282 5.244 143 HH TYR 20 HH TYR 20 -5.538 12.661 5.150 144 H VAL 21 H VAL 21 -2.509 8.812 -1.692 145 HA VAL 21 HA VAL 21 -2.225 6.299 -2.877 146 HB VAL 21 HB VAL 21 -0.466 8.700 -3.395 147 1HG1 VAL 21 1HG1 VAL 21 0.507 7.024 -4.616 148 2HG1 VAL 21 2HG1 VAL 21 -0.689 7.606 -5.774 149 3HG1 VAL 21 3HG1 VAL 21 -1.010 6.150 -4.832 150 1HG2 VAL 21 1HG2 VAL 21 -3.208 8.669 -3.550 151 2HG2 VAL 21 2HG2 VAL 21 -2.721 8.269 -5.196 152 3HG2 VAL 21 3HG2 VAL 21 -2.141 9.753 -4.441 153 H LYS 22 H LYS 22 -0.086 8.094 -0.743 154 HA LYS 22 HA LYS 22 2.270 6.656 -1.072 155 1HB LYS 22 2HB LYS 22 1.219 7.774 1.532 156 2HB LYS 22 1HB LYS 22 2.898 7.437 1.138 157 1HG LYS 22 2HG LYS 22 2.992 9.612 0.639 158 2HG LYS 22 1HG LYS 22 2.216 9.130 -0.871 159 1HD LYS 22 2HD LYS 22 0.063 9.396 0.760 160 2HD LYS 22 1HD LYS 22 1.140 10.629 1.419 161 1HE LYS 22 2HE LYS 22 0.513 10.393 -1.515 162 2HE LYS 22 1HE LYS 22 -0.433 11.388 -0.407 163 1HZ LYS 22 1HZ LYS 22 2.004 12.254 0.154 164 2HZ LYS 22 2HZ LYS 22 1.046 12.940 -1.059 165 3HZ LYS 22 3HZ LYS 22 2.244 11.817 -1.462 166 H THR 23 H THR 23 -0.638 5.857 0.690 167 HA THR 23 HA THR 23 0.386 3.711 2.211 168 HB THR 23 HB THR 23 -2.433 4.005 1.170 169 HG1 THR 23 1HG THR 23 -2.818 5.291 2.941 170 1HG2 THR 23 1HG2 THR 23 -3.070 2.940 3.278 171 2HG2 THR 23 2HG2 THR 23 -1.366 2.716 3.670 172 3HG2 THR 23 3HG2 THR 23 -2.067 1.890 2.277 173 H TYR 24 H TYR 24 -1.310 3.798 -0.912 174 HA TYR 24 HA TYR 24 -1.217 1.017 -1.381 175 1HB TYR 24 2HB TYR 24 -2.624 2.846 -2.560 176 2HB TYR 24 1HB TYR 24 -1.210 3.062 -3.587 177 HD1 TYR 24 1HD TYR 24 -3.830 0.671 -2.561 178 HD2 TYR 24 2HD TYR 24 -0.676 1.490 -5.296 179 HE1 TYR 24 1HE TYR 24 -4.572 -1.203 -3.970 180 HE2 TYR 24 2HE TYR 24 -1.409 -0.381 -6.712 181 HH TYR 24 HH TYR 24 -3.175 -2.783 -5.819 182 H LEU 25 H LEU 25 1.016 3.630 -2.031 183 HA LEU 25 HA LEU 25 2.735 2.327 -3.813 184 1HB LEU 25 2HB LEU 25 3.245 4.482 -1.773 185 2HB LEU 25 1HB LEU 25 4.475 3.925 -2.891 186 HG LEU 25 HG LEU 25 1.849 5.196 -3.672 187 1HD1 LEU 25 1HD1 LEU 25 2.998 7.168 -4.093 188 2HD1 LEU 25 2HD1 LEU 25 4.571 6.371 -4.082 189 3HD1 LEU 25 3HD1 LEU 25 3.696 6.616 -2.570 190 1HD2 LEU 25 1HD2 LEU 25 2.274 3.975 -5.535 191 2HD2 LEU 25 2HD2 LEU 25 3.999 3.843 -5.192 192 3HD2 LEU 25 3HD2 LEU 25 3.347 5.332 -5.876 193 H ALA 26 H ALA 26 3.272 2.836 -0.339 194 HA ALA 26 HA ALA 26 5.407 1.080 -0.079 195 1HB ALA 26 1HB ALA 26 5.074 2.596 1.679 196 2HB ALA 26 2HB ALA 26 4.708 1.017 2.373 197 3HB ALA 26 3HB ALA 26 3.398 2.099 1.901 198 H HIS 27 H HIS 27 2.050 0.459 -0.393 199 HA HIS 27 HA HIS 27 2.043 -2.143 0.792 200 1HB HIS 27 2HB HIS 27 -0.016 -0.834 0.645 201 2HB HIS 27 1HB HIS 27 0.091 -0.827 -1.111 202 HD1 HIS 27 1HD HIS 27 -1.062 -2.893 1.748 203 HD2 HIS 27 2HD HIS 27 -0.490 -3.307 -2.347 204 HE1 HIS 27 1HE HIS 27 -2.285 -5.000 1.070 205 H LYS 28 H LYS 28 1.628 -1.116 -2.605 206 HA LYS 28 HA LYS 28 2.050 -3.696 -3.663 207 1HB LYS 28 2HB LYS 28 2.355 -2.504 -5.834 208 2HB LYS 28 1HB LYS 28 0.888 -2.054 -4.975 209 1HG LYS 28 2HG LYS 28 1.529 0.042 -5.400 210 2HG LYS 28 1HG LYS 28 2.644 -0.194 -4.053 211 1HD LYS 28 2HD LYS 28 4.456 -0.295 -5.400 212 2HD LYS 28 1HD LYS 28 3.588 -1.154 -6.675 213 1HE LYS 28 2HE LYS 28 2.378 1.274 -6.757 214 2HE LYS 28 1HE LYS 28 4.014 1.728 -6.281 215 1HZ LYS 28 1HZ LYS 28 4.690 0.184 -8.217 216 2HZ LYS 28 2HZ LYS 28 4.130 1.742 -8.566 217 3HZ LYS 28 3HZ LYS 28 3.100 0.413 -8.751 218 H GLN 29 H GLN 29 4.223 -1.378 -2.425 219 HA GLN 29 HA GLN 29 6.509 -1.937 -3.977 220 1HB GLN 29 2HB GLN 29 6.012 -0.711 -1.300 221 2HB GLN 29 1HB GLN 29 7.657 -1.161 -1.726 222 1HG GLN 29 2HG GLN 29 7.732 0.344 -3.511 223 2HG GLN 29 1HG GLN 29 5.980 0.537 -3.535 224 1HE2 GLN 29 1HE2 GLN 29 6.134 2.772 -3.387 225 2HE2 GLN 29 2HE2 GLN 29 6.582 3.570 -1.921 226 H PHE 30 H PHE 30 5.863 -2.979 -0.616 227 HA PHE 30 HA PHE 30 6.896 -5.625 -1.248 228 1HB PHE 30 2HB PHE 30 8.279 -5.299 1.000 229 2HB PHE 30 1HB PHE 30 8.956 -4.929 -0.580 230 HD1 PHE 30 1HD PHE 30 7.381 -3.452 2.417 231 HD2 PHE 30 2HD PHE 30 9.604 -2.735 -1.141 232 HE1 PHE 30 1HE PHE 30 7.813 -1.145 3.156 233 HE2 PHE 30 2HE PHE 30 10.041 -0.427 -0.407 234 HZ PHE 30 HZ PHE 30 9.145 0.370 1.744 235 H TYR 31 H TYR 31 4.395 -4.173 -0.147 236 HA TYR 31 HA TYR 31 4.104 -5.765 2.309 237 1HB TYR 31 2HB TYR 31 3.534 -3.084 1.844 238 2HB TYR 31 1HB TYR 31 1.957 -3.864 1.798 239 HD1 TYR 31 1HD TYR 31 5.067 -3.977 3.878 240 HD2 TYR 31 2HD TYR 31 0.813 -3.985 3.793 241 HE1 TYR 31 1HE TYR 31 5.024 -4.016 6.336 242 HE2 TYR 31 2HE TYR 31 0.758 -4.023 6.250 243 HH TYR 31 HH TYR 31 3.554 -4.622 8.144 244 H CYS 32 H CYS 32 3.015 -5.410 -0.926 245 HA CYS 32 HA CYS 32 0.554 -6.875 -0.532 246 1HB CYS 32 2HB CYS 32 0.872 -5.050 -2.256 247 2HB CYS 32 1HB CYS 32 1.888 -6.177 -3.148 248 H LYS 33 H LYS 33 0.098 -8.918 -1.496 249 HA LYS 33 HA LYS 33 2.455 -10.658 -1.584 250 1HB LYS 33 2HB LYS 33 -0.433 -11.520 -1.465 251 2HB LYS 33 1HB LYS 33 0.995 -12.478 -1.093 252 1HG LYS 33 2HG LYS 33 0.851 -10.106 0.554 253 2HG LYS 33 1HG LYS 33 -0.604 -11.094 0.700 254 1HD LYS 33 2HD LYS 33 2.161 -12.261 0.898 255 2HD LYS 33 1HD LYS 33 1.309 -11.611 2.300 256 1HE LYS 33 2HE LYS 33 -0.225 -13.300 2.326 257 2HE LYS 33 1HE LYS 33 -0.135 -13.555 0.583 258 1HZ LYS 33 1HZ LYS 33 2.006 -14.321 2.492 259 2HZ LYS 33 2HZ LYS 33 1.938 -14.687 0.842 260 3HZ LYS 33 3HZ LYS 33 0.826 -15.385 1.908 261 H ASN 34 H ASN 34 1.670 -8.941 -3.823 262 HA ASN 34 HA ASN 34 1.073 -11.020 -5.824 263 1HB ASN 34 2HB ASN 34 0.268 -8.137 -5.663 264 2HB ASN 34 1HB ASN 34 0.417 -8.915 -7.237 265 1HD2 ASN 34 1HD2 ASN 34 -0.752 -11.038 -7.417 266 2HD2 ASN 34 2HD2 ASN 34 -2.324 -11.126 -6.706 267 H LYS 35 H LYS 35 3.474 -11.347 -5.550 268 HA LYS 35 HA LYS 35 5.655 -11.038 -6.168 269 1HB LYS 35 2HB LYS 35 5.909 -10.611 -8.626 270 2HB LYS 35 1HB LYS 35 4.810 -11.920 -8.217 271 1HG LYS 35 2HG LYS 35 2.902 -10.532 -8.655 272 2HG LYS 35 1HG LYS 35 3.935 -9.121 -8.897 273 1HD LYS 35 2HD LYS 35 3.257 -9.992 -11.042 274 2HD LYS 35 1HD LYS 35 4.985 -10.270 -10.821 275 1HE LYS 35 2HE LYS 35 3.113 -12.412 -9.968 276 2HE LYS 35 1HE LYS 35 3.345 -12.166 -11.698 277 1HZ LYS 35 1HZ LYS 35 5.762 -12.270 -10.086 278 2HZ LYS 35 2HZ LYS 35 5.449 -12.926 -11.614 279 3HZ LYS 35 3HZ LYS 35 4.905 -13.723 -10.225 280 HA PRO 36 HA PRO 36 5.592 -6.407 -5.575 281 1HB PRO 36 2HB PRO 36 7.107 -6.398 -3.324 282 2HB PRO 36 1HB PRO 36 5.350 -6.583 -3.296 283 1HG PRO 36 2HG PRO 36 7.479 -8.679 -3.103 284 2HG PRO 36 1HG PRO 36 5.982 -8.516 -2.167 285 1HD PRO 36 2HD PRO 36 6.221 -10.234 -4.247 286 2HD PRO 36 1HD PRO 36 4.688 -9.435 -3.838 Start of MODEL 18 1 1H GLY 1 1HT GLY 1 -16.294 -4.857 -20.435 2 2H GLY 1 2HT GLY 1 -15.677 -3.360 -19.945 3 3H GLY 1 3HT GLY 1 -16.872 -3.431 -21.140 4 1HA GLY 1 1HA GLY 1 -18.197 -2.901 -19.399 5 2HA GLY 1 2HA GLY 1 -18.209 -4.652 -19.260 6 H SER 2 H SER 2 -18.807 -3.988 -17.001 7 HA SER 2 HA SER 2 -18.296 -3.885 -14.788 8 1HB SER 2 2HB SER 2 -15.869 -5.080 -16.019 9 2HB SER 2 1HB SER 2 -15.706 -4.473 -14.370 10 HG SER 2 HG SER 2 -16.450 -6.447 -14.006 11 H ALA 3 H ALA 3 -16.371 -2.948 -13.252 12 HA ALA 3 HA ALA 3 -15.219 -0.519 -14.319 13 1HB ALA 3 1HB ALA 3 -17.178 0.578 -13.900 14 2HB ALA 3 2HB ALA 3 -16.405 0.736 -12.323 15 3HB ALA 3 3HB ALA 3 -17.632 -0.504 -12.583 16 H ALA 4 H ALA 4 -13.332 -1.718 -13.651 17 HA ALA 4 HA ALA 4 -12.926 -1.797 -10.738 18 1HB ALA 4 1HB ALA 4 -11.297 -3.474 -11.056 19 2HB ALA 4 2HB ALA 4 -11.211 -3.170 -12.790 20 3HB ALA 4 3HB ALA 4 -12.651 -3.915 -12.096 21 H GLU 5 H GLU 5 -10.961 -1.255 -13.670 22 HA GLU 5 HA GLU 5 -9.284 0.211 -14.128 23 1HB GLU 5 2HB GLU 5 -11.157 1.821 -13.570 24 2HB GLU 5 1HB GLU 5 -10.463 1.948 -11.960 25 1HG GLU 5 2HG GLU 5 -8.282 2.543 -13.263 26 2HG GLU 5 1HG GLU 5 -9.406 2.934 -14.563 27 H VAL 6 H VAL 6 -7.431 -0.766 -13.518 28 HA VAL 6 HA VAL 6 -6.652 -1.328 -10.883 29 HB VAL 6 HB VAL 6 -5.648 -2.471 -12.781 30 1HG1 VAL 6 1HG1 VAL 6 -5.317 -1.120 -14.560 31 2HG1 VAL 6 2HG1 VAL 6 -3.706 -0.961 -13.860 32 3HG1 VAL 6 3HG1 VAL 6 -4.924 0.278 -13.561 33 1HG2 VAL 6 1HG2 VAL 6 -3.509 -0.920 -11.338 34 2HG2 VAL 6 2HG2 VAL 6 -3.388 -2.541 -12.020 35 3HG2 VAL 6 3HG2 VAL 6 -4.416 -2.250 -10.616 36 H MET 7 H MET 7 -4.842 -0.424 -9.698 37 HA MET 7 HA MET 7 -3.846 1.295 -8.588 38 1HB MET 7 2HB MET 7 -2.914 1.431 -11.079 39 2HB MET 7 1HB MET 7 -3.759 2.972 -11.049 40 1HG MET 7 2HG MET 7 -2.358 2.957 -8.674 41 2HG MET 7 1HG MET 7 -1.253 2.194 -9.815 42 1HE MET 7 1HE MET 7 -1.488 6.430 -9.044 43 2HE MET 7 2HE MET 7 -1.834 5.003 -8.067 44 3HE MET 7 3HE MET 7 -3.120 5.764 -9.005 45 H LYS 8 H LYS 8 -6.102 1.508 -7.687 46 HA LYS 8 HA LYS 8 -6.935 4.293 -7.992 47 1HB LYS 8 2HB LYS 8 -8.651 1.876 -8.393 48 2HB LYS 8 1HB LYS 8 -9.363 3.314 -7.675 49 1HG LYS 8 2HG LYS 8 -7.805 3.832 -10.096 50 2HG LYS 8 1HG LYS 8 -9.215 2.800 -10.341 51 1HD LYS 8 2HD LYS 8 -9.383 5.387 -8.822 52 2HD LYS 8 1HD LYS 8 -9.543 5.325 -10.579 53 1HE LYS 8 2HE LYS 8 -11.742 5.152 -9.956 54 2HE LYS 8 1HE LYS 8 -11.296 3.449 -10.031 55 1HZ LYS 8 1HZ LYS 8 -11.367 3.233 -7.783 56 2HZ LYS 8 2HZ LYS 8 -12.522 4.455 -7.957 57 3HZ LYS 8 3HZ LYS 8 -10.946 4.843 -7.483 58 H LYS 9 H LYS 9 -5.349 3.357 -6.005 59 HA LYS 9 HA LYS 9 -5.110 3.170 -3.745 60 1HB LYS 9 2HB LYS 9 -7.712 4.695 -3.622 61 2HB LYS 9 1HB LYS 9 -6.422 4.683 -2.427 62 1HG LYS 9 2HG LYS 9 -5.581 5.551 -5.092 63 2HG LYS 9 1HG LYS 9 -6.780 6.594 -4.324 64 1HD LYS 9 2HD LYS 9 -4.496 5.693 -2.661 65 2HD LYS 9 1HD LYS 9 -4.159 6.880 -3.923 66 1HE LYS 9 2HE LYS 9 -4.743 7.797 -1.632 67 2HE LYS 9 1HE LYS 9 -5.654 8.445 -2.996 68 1HZ LYS 9 1HZ LYS 9 -7.485 7.000 -2.448 69 2HZ LYS 9 2HZ LYS 9 -7.068 7.913 -1.085 70 3HZ LYS 9 3HZ LYS 9 -6.606 6.289 -1.188 71 H TYR 10 H TYR 10 -6.284 0.935 -4.890 72 HA TYR 10 HA TYR 10 -7.492 -0.265 -2.602 73 1HB TYR 10 2HB TYR 10 -9.452 0.903 -3.595 74 2HB TYR 10 1HB TYR 10 -9.213 -0.016 -5.077 75 HD1 TYR 10 1HD TYR 10 -9.189 -2.630 -4.777 76 HD2 TYR 10 2HD TYR 10 -10.918 0.090 -2.000 77 HE1 TYR 10 1HE TYR 10 -10.589 -4.442 -3.882 78 HE2 TYR 10 2HE TYR 10 -12.321 -1.714 -1.097 79 HH TYR 10 HH TYR 10 -12.784 -4.639 -2.652 80 H CYS 11 H CYS 11 -6.414 -2.120 -2.557 81 HA CYS 11 HA CYS 11 -5.506 -3.372 -5.008 82 1HB CYS 11 2HB CYS 11 -4.170 -3.189 -2.816 83 2HB CYS 11 1HB CYS 11 -5.189 -4.501 -2.232 84 H SER 12 H SER 12 -7.121 -4.353 -6.094 85 HA SER 12 HA SER 12 -9.375 -5.575 -4.997 86 1HB SER 12 2HB SER 12 -9.050 -4.901 -7.404 87 2HB SER 12 1HB SER 12 -8.068 -6.351 -7.610 88 HG SER 12 HG SER 12 -10.176 -6.816 -8.202 89 H THR 13 H THR 13 -6.199 -6.901 -5.756 90 HA THR 13 HA THR 13 -6.832 -9.618 -5.394 91 HB THR 13 HB THR 13 -4.122 -8.715 -4.608 92 HG1 THR 13 1HG THR 13 -3.864 -7.479 -6.261 93 1HG2 THR 13 1HG2 THR 13 -3.445 -10.387 -6.292 94 2HG2 THR 13 2HG2 THR 13 -5.149 -10.718 -6.601 95 3HG2 THR 13 3HG2 THR 13 -4.460 -11.051 -5.012 96 H CYS 14 H CYS 14 -5.372 -7.280 -3.137 97 HA CYS 14 HA CYS 14 -5.459 -9.100 -0.936 98 1HB CYS 14 2HB CYS 14 -4.891 -6.148 -1.162 99 2HB CYS 14 1HB CYS 14 -4.856 -7.010 0.366 100 H ASP 15 H ASP 15 -7.596 -6.713 -2.270 101 HA ASP 15 HA ASP 15 -9.785 -6.251 -1.823 102 1HB ASP 15 2HB ASP 15 -9.642 -8.770 -0.944 103 2HB ASP 15 1HB ASP 15 -9.891 -7.973 0.607 104 H ILE 16 H ILE 16 -8.064 -4.431 -1.044 105 HA ILE 16 HA ILE 16 -9.257 -3.371 1.386 106 HB ILE 16 HB ILE 16 -6.262 -3.316 1.194 107 1HG1 ILE 16 2HG1 ILE 16 -7.917 -5.385 2.661 108 2HG1 ILE 16 1HG1 ILE 16 -6.943 -5.689 1.226 109 1HG2 ILE 16 1HG2 ILE 16 -6.788 -1.797 2.788 110 2HG2 ILE 16 2HG2 ILE 16 -6.833 -3.239 3.804 111 3HG2 ILE 16 3HG2 ILE 16 -8.332 -2.563 3.166 112 1HD1 ILE 16 1HD1 ILE 16 -5.985 -6.316 3.514 113 2HD1 ILE 16 2HD1 ILE 16 -5.712 -4.585 3.717 114 3HD1 ILE 16 3HD1 ILE 16 -4.946 -5.448 2.383 115 H SER 17 H SER 17 -8.643 -1.077 1.741 116 HA SER 17 HA SER 17 -7.783 0.274 -0.725 117 1HB SER 17 2HB SER 17 -10.396 0.180 -0.088 118 2HB SER 17 1HB SER 17 -9.922 1.589 0.861 119 HG SER 17 HG SER 17 -9.150 2.546 -1.031 120 H PHE 18 H PHE 18 -6.903 2.384 -0.420 121 HA PHE 18 HA PHE 18 -6.263 3.108 2.351 122 1HB PHE 18 2HB PHE 18 -4.180 3.169 0.170 123 2HB PHE 18 1HB PHE 18 -3.942 3.379 1.901 124 HD1 PHE 18 1HD PHE 18 -5.266 1.179 3.131 125 HD2 PHE 18 2HD PHE 18 -3.106 1.270 -0.534 126 HE1 PHE 18 1HE PHE 18 -4.788 -1.224 3.358 127 HE2 PHE 18 2HE PHE 18 -2.627 -1.132 -0.316 128 HZ PHE 18 HZ PHE 18 -3.468 -2.383 1.632 129 H ASN 19 H ASN 19 -7.011 5.094 2.651 130 HA ASN 19 HA ASN 19 -7.762 6.866 0.621 131 1HB ASN 19 2HB ASN 19 -7.762 8.587 2.502 132 2HB ASN 19 1HB ASN 19 -8.768 7.162 2.744 133 1HD2 ASN 19 1HD2 ASN 19 -8.669 7.685 4.995 134 2HD2 ASN 19 2HD2 ASN 19 -7.296 7.215 5.932 135 H TYR 20 H TYR 20 -4.728 6.428 2.296 136 HA TYR 20 HA TYR 20 -3.586 8.845 1.148 137 1HB TYR 20 2HB TYR 20 -2.019 6.778 2.658 138 2HB TYR 20 1HB TYR 20 -1.746 8.513 2.552 139 HD1 TYR 20 1HD TYR 20 -3.993 9.866 3.420 140 HD2 TYR 20 2HD TYR 20 -2.647 6.055 4.747 141 HE1 TYR 20 1HE TYR 20 -5.190 10.190 5.543 142 HE2 TYR 20 2HE TYR 20 -3.842 6.367 6.873 143 HH TYR 20 HH TYR 20 -6.194 8.595 7.352 144 H VAL 21 H VAL 21 -2.628 8.887 -0.765 145 HA VAL 21 HA VAL 21 -2.380 6.666 -2.442 146 HB VAL 21 HB VAL 21 -0.776 9.217 -2.647 147 1HG1 VAL 21 1HG1 VAL 21 -1.744 7.837 -5.056 148 2HG1 VAL 21 2HG1 VAL 21 -0.515 6.972 -4.132 149 3HG1 VAL 21 3HG1 VAL 21 -0.188 8.599 -4.729 150 1HG2 VAL 21 1HG2 VAL 21 -3.205 8.983 -4.262 151 2HG2 VAL 21 2HG2 VAL 21 -2.581 10.352 -3.341 152 3HG2 VAL 21 3HG2 VAL 21 -3.504 9.089 -2.527 153 H LYS 22 H LYS 22 -0.013 8.252 -0.349 154 HA LYS 22 HA LYS 22 2.279 6.904 -1.163 155 1HB LYS 22 2HB LYS 22 3.034 7.268 1.263 156 2HB LYS 22 1HB LYS 22 2.633 8.688 0.308 157 1HG LYS 22 2HG LYS 22 0.239 7.996 1.522 158 2HG LYS 22 1HG LYS 22 1.459 7.710 2.763 159 1HD LYS 22 2HD LYS 22 1.859 9.899 3.031 160 2HD LYS 22 1HD LYS 22 1.854 10.205 1.294 161 1HE LYS 22 2HE LYS 22 0.012 11.406 1.957 162 2HE LYS 22 1HE LYS 22 -0.726 9.860 1.542 163 1HZ LYS 22 1HZ LYS 22 -1.628 10.429 3.601 164 2HZ LYS 22 2HZ LYS 22 -0.146 10.953 4.227 165 3HZ LYS 22 3HZ LYS 22 -0.427 9.302 3.987 166 H THR 23 H THR 23 -0.377 5.831 0.811 167 HA THR 23 HA THR 23 0.886 3.560 1.950 168 HB THR 23 HB THR 23 -2.044 4.058 1.394 169 HG1 THR 23 1HG THR 23 -0.451 4.590 3.679 170 1HG2 THR 23 1HG2 THR 23 -0.703 2.108 3.247 171 2HG2 THR 23 2HG2 THR 23 -1.774 1.746 1.894 172 3HG2 THR 23 3HG2 THR 23 -2.409 2.546 3.332 173 H TYR 24 H TYR 24 -1.237 3.977 -0.873 174 HA TYR 24 HA TYR 24 -1.283 1.291 -1.675 175 1HB TYR 24 2HB TYR 24 -2.671 3.332 -2.514 176 2HB TYR 24 1HB TYR 24 -1.353 3.544 -3.661 177 HD1 TYR 24 1HD TYR 24 -3.665 0.888 -2.411 178 HD2 TYR 24 2HD TYR 24 -1.488 2.471 -5.705 179 HE1 TYR 24 1HE TYR 24 -4.689 -0.792 -3.886 180 HE2 TYR 24 2HE TYR 24 -2.507 0.797 -7.191 181 HH TYR 24 HH TYR 24 -4.309 -1.873 -5.991 182 H LEU 25 H LEU 25 1.037 3.846 -2.199 183 HA LEU 25 HA LEU 25 2.532 2.528 -4.225 184 1HB LEU 25 2HB LEU 25 2.538 5.040 -3.198 185 2HB LEU 25 1HB LEU 25 3.965 4.376 -2.427 186 HG LEU 25 HG LEU 25 4.485 3.624 -4.940 187 1HD1 LEU 25 1HD1 LEU 25 2.536 4.493 -5.979 188 2HD1 LEU 25 2HD1 LEU 25 3.871 5.558 -6.419 189 3HD1 LEU 25 3HD1 LEU 25 2.722 6.051 -5.175 190 1HD2 LEU 25 1HD2 LEU 25 6.076 4.848 -3.727 191 2HD2 LEU 25 2HD2 LEU 25 5.014 6.249 -3.580 192 3HD2 LEU 25 3HD2 LEU 25 5.727 5.842 -5.141 193 H ALA 26 H ALA 26 3.173 3.011 -0.770 194 HA ALA 26 HA ALA 26 5.390 1.318 -0.627 195 1HB ALA 26 1HB ALA 26 3.671 1.545 1.767 196 2HB ALA 26 2HB ALA 26 4.297 3.046 1.087 197 3HB ALA 26 3HB ALA 26 5.411 1.777 1.594 198 H HIS 27 H HIS 27 2.043 0.647 -0.855 199 HA HIS 27 HA HIS 27 2.036 -1.915 0.383 200 1HB HIS 27 2HB HIS 27 -0.024 -0.608 0.066 201 2HB HIS 27 1HB HIS 27 0.152 -0.750 -1.680 202 HD1 HIS 27 1HD HIS 27 -1.068 -2.595 1.305 203 HD2 HIS 27 2HD HIS 27 -0.370 -3.323 -2.725 204 HE1 HIS 27 1HE HIS 27 -2.244 -4.767 0.762 205 H LYS 28 H LYS 28 1.764 -1.034 -3.069 206 HA LYS 28 HA LYS 28 2.239 -3.642 -4.011 207 1HB LYS 28 2HB LYS 28 2.839 -1.089 -5.505 208 2HB LYS 28 1HB LYS 28 2.457 -2.661 -6.191 209 1HG LYS 28 2HG LYS 28 0.394 -1.621 -4.401 210 2HG LYS 28 1HG LYS 28 0.687 -0.620 -5.825 211 1HD LYS 28 2HD LYS 28 -0.679 -2.024 -6.902 212 2HD LYS 28 1HD LYS 28 0.657 -3.174 -6.856 213 1HE LYS 28 2HE LYS 28 -1.236 -4.317 -6.013 214 2HE LYS 28 1HE LYS 28 -0.228 -3.930 -4.619 215 1HZ LYS 28 1HZ LYS 28 -1.872 -1.781 -4.823 216 2HZ LYS 28 2HZ LYS 28 -2.084 -3.080 -3.760 217 3HZ LYS 28 3HZ LYS 28 -2.892 -3.064 -5.246 218 H GLN 29 H GLN 29 4.366 -1.231 -2.812 219 HA GLN 29 HA GLN 29 6.729 -1.877 -4.168 220 1HB GLN 29 2HB GLN 29 6.059 -0.551 -1.588 221 2HB GLN 29 1HB GLN 29 7.719 -1.077 -1.826 222 1HG GLN 29 2HG GLN 29 7.944 0.288 -3.774 223 2HG GLN 29 1HG GLN 29 6.228 0.691 -3.747 224 1HE2 GLN 29 1HE2 GLN 29 9.204 0.964 -1.864 225 2HE2 GLN 29 2HE2 GLN 29 8.806 2.472 -1.120 226 H PHE 30 H PHE 30 5.901 -2.824 -0.822 227 HA PHE 30 HA PHE 30 6.866 -5.513 -1.317 228 1HB PHE 30 2HB PHE 30 8.269 -5.122 0.911 229 2HB PHE 30 1HB PHE 30 8.953 -4.869 -0.689 230 HD1 PHE 30 1HD PHE 30 7.154 -3.041 2.011 231 HD2 PHE 30 2HD PHE 30 9.985 -2.861 -1.162 232 HE1 PHE 30 1HE PHE 30 7.674 -0.713 2.612 233 HE2 PHE 30 2HE PHE 30 10.512 -0.532 -0.565 234 HZ PHE 30 HZ PHE 30 9.355 0.544 1.324 235 H TYR 31 H TYR 31 4.398 -4.006 -0.353 236 HA TYR 31 HA TYR 31 4.072 -5.382 2.229 237 1HB TYR 31 2HB TYR 31 3.535 -2.734 1.538 238 2HB TYR 31 1HB TYR 31 1.952 -3.504 1.579 239 HD1 TYR 31 1HD TYR 31 5.039 -3.908 3.654 240 HD2 TYR 31 2HD TYR 31 0.883 -2.999 3.559 241 HE1 TYR 31 1HE TYR 31 5.025 -3.738 6.106 242 HE2 TYR 31 2HE TYR 31 0.859 -2.825 6.012 243 HH TYR 31 HH TYR 31 3.695 -2.673 7.872 244 H CYS 32 H CYS 32 2.848 -5.075 -1.005 245 HA CYS 32 HA CYS 32 0.350 -6.318 -0.671 246 1HB CYS 32 2HB CYS 32 1.169 -5.049 -2.702 247 2HB CYS 32 1HB CYS 32 2.084 -6.488 -3.136 248 H LYS 33 H LYS 33 -0.255 -8.387 -0.458 249 HA LYS 33 HA LYS 33 1.858 -10.410 -0.338 250 1HB LYS 33 2HB LYS 33 -1.007 -10.678 0.574 251 2HB LYS 33 1HB LYS 33 0.344 -11.729 0.976 252 1HG LYS 33 2HG LYS 33 1.171 -10.304 2.542 253 2HG LYS 33 1HG LYS 33 0.563 -8.868 1.717 254 1HD LYS 33 2HD LYS 33 -0.648 -9.221 3.792 255 2HD LYS 33 1HD LYS 33 -1.722 -9.457 2.412 256 1HE LYS 33 2HE LYS 33 -0.997 -11.962 2.673 257 2HE LYS 33 1HE LYS 33 -0.601 -11.462 4.317 258 1HZ LYS 33 1HZ LYS 33 -3.199 -11.741 3.037 259 2HZ LYS 33 2HZ LYS 33 -3.026 -10.431 4.091 260 3HZ LYS 33 3HZ LYS 33 -2.750 -12.004 4.648 261 H ASN 34 H ASN 34 0.944 -9.496 -2.892 262 HA ASN 34 HA ASN 34 0.293 -12.050 -4.056 263 1HB ASN 34 2HB ASN 34 -1.882 -10.586 -3.390 264 2HB ASN 34 1HB ASN 34 -1.562 -9.942 -4.997 265 1HD2 ASN 34 1HD2 ASN 34 -2.745 -12.573 -3.175 266 2HD2 ASN 34 2HD2 ASN 34 -3.169 -13.597 -4.500 267 H LYS 35 H LYS 35 2.332 -11.749 -5.024 268 HA LYS 35 HA LYS 35 2.288 -10.589 -7.582 269 1HB LYS 35 2HB LYS 35 2.602 -8.614 -5.791 270 2HB LYS 35 1HB LYS 35 4.283 -9.098 -5.966 271 1HG LYS 35 2HG LYS 35 2.573 -8.512 -8.356 272 2HG LYS 35 1HG LYS 35 3.397 -7.228 -7.469 273 1HD LYS 35 2HD LYS 35 5.004 -9.594 -8.257 274 2HD LYS 35 1HD LYS 35 4.515 -8.480 -9.536 275 1HE LYS 35 2HE LYS 35 5.877 -7.600 -6.999 276 2HE LYS 35 1HE LYS 35 6.750 -8.007 -8.477 277 1HZ LYS 35 1HZ LYS 35 5.146 -5.668 -7.856 278 2HZ LYS 35 2HZ LYS 35 4.962 -6.283 -9.422 279 3HZ LYS 35 3HZ LYS 35 6.493 -5.822 -8.869 280 HA PRO 36 HA PRO 36 5.512 -13.812 -6.803 281 1HB PRO 36 2HB PRO 36 4.989 -15.224 -9.061 282 2HB PRO 36 1HB PRO 36 4.098 -15.461 -7.553 283 1HG PRO 36 2HG PRO 36 3.331 -13.879 -9.977 284 2HG PRO 36 1HG PRO 36 2.339 -14.971 -8.993 285 1HD PRO 36 2HD PRO 36 2.235 -12.279 -8.731 286 2HD PRO 36 1HD PRO 36 1.981 -13.380 -7.362 Start of MODEL 19 1 1H GLY 1 1HT GLY 1 -10.881 -4.169 -25.125 2 2H GLY 1 2HT GLY 1 -10.212 -5.081 -23.867 3 3H GLY 1 3HT GLY 1 -9.649 -5.281 -25.449 4 1HA GLY 1 1HA GLY 1 -8.002 -3.978 -24.534 5 2HA GLY 1 2HA GLY 1 -9.042 -2.808 -25.334 6 H SER 2 H SER 2 -8.986 -1.031 -24.115 7 HA SER 2 HA SER 2 -8.696 -1.083 -21.279 8 1HB SER 2 2HB SER 2 -9.493 1.445 -21.729 9 2HB SER 2 1HB SER 2 -7.849 0.894 -22.049 10 HG SER 2 HG SER 2 -8.178 1.262 -24.081 11 H ALA 3 H ALA 3 -10.285 0.268 -19.909 12 HA ALA 3 HA ALA 3 -13.028 0.322 -20.603 13 1HB ALA 3 1HB ALA 3 -12.484 -1.795 -18.562 14 2HB ALA 3 2HB ALA 3 -12.469 -2.190 -20.281 15 3HB ALA 3 3HB ALA 3 -13.926 -1.527 -19.541 16 H ALA 4 H ALA 4 -11.112 2.058 -19.413 17 HA ALA 4 HA ALA 4 -11.009 3.636 -17.777 18 1HB ALA 4 1HB ALA 4 -13.007 4.381 -17.144 19 2HB ALA 4 2HB ALA 4 -13.327 2.921 -16.209 20 3HB ALA 4 3HB ALA 4 -13.705 2.965 -17.931 21 H GLU 5 H GLU 5 -12.659 1.068 -15.952 22 HA GLU 5 HA GLU 5 -12.065 -0.109 -14.101 23 1HB GLU 5 2HB GLU 5 -10.224 -0.820 -15.695 24 2HB GLU 5 1HB GLU 5 -9.201 0.378 -14.915 25 1HG GLU 5 2HG GLU 5 -10.534 -1.451 -13.062 26 2HG GLU 5 1HG GLU 5 -9.410 -2.228 -14.176 27 H VAL 6 H VAL 6 -12.438 0.803 -12.199 28 HA VAL 6 HA VAL 6 -11.492 3.365 -11.456 29 HB VAL 6 HB VAL 6 -12.567 1.254 -9.587 30 1HG1 VAL 6 1HG1 VAL 6 -13.382 3.243 -8.336 31 2HG1 VAL 6 2HG1 VAL 6 -12.484 4.264 -9.460 32 3HG1 VAL 6 3HG1 VAL 6 -11.623 3.127 -8.422 33 1HG2 VAL 6 1HG2 VAL 6 -14.763 2.541 -10.029 34 2HG2 VAL 6 2HG2 VAL 6 -14.229 1.344 -11.210 35 3HG2 VAL 6 3HG2 VAL 6 -13.972 3.061 -11.518 36 H MET 7 H MET 7 -10.008 3.963 -9.847 37 HA MET 7 HA MET 7 -8.281 1.938 -8.691 38 1HB MET 7 2HB MET 7 -7.292 3.989 -10.670 39 2HB MET 7 1HB MET 7 -6.227 3.166 -9.538 40 1HG MET 7 2HG MET 7 -7.971 1.749 -11.536 41 2HG MET 7 1HG MET 7 -6.289 2.188 -11.827 42 1HE MET 7 1HE MET 7 -4.178 0.648 -10.828 43 2HE MET 7 2HE MET 7 -4.389 0.123 -9.157 44 3HE MET 7 3HE MET 7 -4.677 1.807 -9.595 45 H LYS 8 H LYS 8 -9.621 3.022 -6.956 46 HA LYS 8 HA LYS 8 -8.569 5.622 -6.140 47 1HB LYS 8 2HB LYS 8 -10.777 3.958 -4.915 48 2HB LYS 8 1HB LYS 8 -10.349 5.600 -4.455 49 1HG LYS 8 2HG LYS 8 -10.965 5.222 -7.302 50 2HG LYS 8 1HG LYS 8 -12.313 4.961 -6.193 51 1HD LYS 8 2HD LYS 8 -10.599 7.382 -5.861 52 2HD LYS 8 1HD LYS 8 -11.809 7.352 -7.145 53 1HE LYS 8 2HE LYS 8 -13.268 6.438 -5.060 54 2HE LYS 8 1HE LYS 8 -12.144 7.508 -4.223 55 1HZ LYS 8 1HZ LYS 8 -13.050 9.331 -5.153 56 2HZ LYS 8 2HZ LYS 8 -14.412 8.342 -5.316 57 3HZ LYS 8 3HZ LYS 8 -13.375 8.575 -6.631 58 H LYS 9 H LYS 9 -6.630 3.767 -6.031 59 HA LYS 9 HA LYS 9 -5.053 2.830 -4.686 60 1HB LYS 9 2HB LYS 9 -6.322 4.416 -2.454 61 2HB LYS 9 1HB LYS 9 -4.659 3.853 -2.554 62 1HG LYS 9 2HG LYS 9 -5.947 5.958 -4.279 63 2HG LYS 9 1HG LYS 9 -4.761 6.220 -2.998 64 1HD LYS 9 2HD LYS 9 -3.040 5.200 -4.237 65 2HD LYS 9 1HD LYS 9 -4.180 4.473 -5.373 66 1HE LYS 9 2HE LYS 9 -4.756 6.708 -6.206 67 2HE LYS 9 1HE LYS 9 -3.595 7.419 -5.085 68 1HZ LYS 9 1HZ LYS 9 -2.004 5.731 -6.309 69 2HZ LYS 9 2HZ LYS 9 -2.305 7.275 -6.928 70 3HZ LYS 9 3HZ LYS 9 -3.125 5.937 -7.558 71 H TYR 10 H TYR 10 -7.286 1.268 -5.109 72 HA TYR 10 HA TYR 10 -7.612 -0.103 -2.525 73 1HB TYR 10 2HB TYR 10 -9.740 0.790 -3.289 74 2HB TYR 10 1HB TYR 10 -9.526 0.035 -4.864 75 HD1 TYR 10 1HD TYR 10 -9.782 -2.393 -5.122 76 HD2 TYR 10 2HD TYR 10 -10.476 -0.486 -1.385 77 HE1 TYR 10 1HE TYR 10 -10.952 -4.402 -4.322 78 HE2 TYR 10 2HE TYR 10 -11.648 -2.489 -0.572 79 HH TYR 10 HH TYR 10 -12.932 -4.467 -1.728 80 H CYS 11 H CYS 11 -6.627 -2.000 -2.408 81 HA CYS 11 HA CYS 11 -5.626 -3.276 -4.808 82 1HB CYS 11 2HB CYS 11 -4.321 -3.046 -2.633 83 2HB CYS 11 1HB CYS 11 -5.376 -4.293 -1.977 84 H SER 12 H SER 12 -7.158 -4.331 -5.933 85 HA SER 12 HA SER 12 -9.439 -5.560 -4.894 86 1HB SER 12 2HB SER 12 -7.987 -5.626 -7.481 87 2HB SER 12 1HB SER 12 -9.102 -6.956 -7.172 88 HG SER 12 HG SER 12 -10.641 -5.198 -6.608 89 H THR 13 H THR 13 -6.211 -6.839 -5.482 90 HA THR 13 HA THR 13 -6.800 -9.560 -5.083 91 HB THR 13 HB THR 13 -4.179 -8.260 -4.364 92 HG1 THR 13 1HG THR 13 -3.659 -8.460 -6.575 93 1HG2 THR 13 1HG2 THR 13 -5.014 -10.988 -5.207 94 2HG2 THR 13 2HG2 THR 13 -3.899 -10.491 -3.934 95 3HG2 THR 13 3HG2 THR 13 -3.406 -10.397 -5.625 96 H CYS 14 H CYS 14 -5.623 -7.085 -2.816 97 HA CYS 14 HA CYS 14 -5.750 -8.878 -0.576 98 1HB CYS 14 2HB CYS 14 -5.186 -5.933 -0.863 99 2HB CYS 14 1HB CYS 14 -5.257 -6.733 0.699 100 H ASP 15 H ASP 15 -7.846 -6.565 -2.088 101 HA ASP 15 HA ASP 15 -10.061 -6.125 -1.771 102 1HB ASP 15 2HB ASP 15 -10.101 -8.578 -0.990 103 2HB ASP 15 1HB ASP 15 -10.077 -7.924 0.645 104 H ILE 16 H ILE 16 -8.350 -4.284 -0.910 105 HA ILE 16 HA ILE 16 -9.743 -3.137 1.367 106 HB ILE 16 HB ILE 16 -6.746 -3.124 1.475 107 1HG1 ILE 16 2HG1 ILE 16 -8.568 -5.156 2.787 108 2HG1 ILE 16 1HG1 ILE 16 -7.423 -5.489 1.492 109 1HG2 ILE 16 1HG2 ILE 16 -7.660 -1.488 2.865 110 2HG2 ILE 16 2HG2 ILE 16 -7.343 -2.842 3.950 111 3HG2 ILE 16 3HG2 ILE 16 -8.984 -2.535 3.380 112 1HD1 ILE 16 1HD1 ILE 16 -6.843 -5.973 4.006 113 2HD1 ILE 16 2HD1 ILE 16 -6.397 -4.267 3.994 114 3HD1 ILE 16 3HD1 ILE 16 -5.619 -5.389 2.877 115 H SER 17 H SER 17 -9.158 -0.850 1.705 116 HA SER 17 HA SER 17 -8.317 0.407 -0.822 117 1HB SER 17 2HB SER 17 -9.936 2.034 -0.563 118 2HB SER 17 1HB SER 17 -10.750 0.662 0.184 119 HG SER 17 HG SER 17 -10.726 2.714 1.395 120 H PHE 18 H PHE 18 -7.491 2.711 -0.467 121 HA PHE 18 HA PHE 18 -6.040 3.048 2.042 122 1HB PHE 18 2HB PHE 18 -4.677 2.965 -0.657 123 2HB PHE 18 1HB PHE 18 -3.910 3.478 0.842 124 HD1 PHE 18 1HD PHE 18 -3.902 1.767 2.776 125 HD2 PHE 18 2HD PHE 18 -4.597 0.745 -1.296 126 HE1 PHE 18 1HE PHE 18 -3.285 -0.565 3.261 127 HE2 PHE 18 2HE PHE 18 -3.981 -1.589 -0.819 128 HZ PHE 18 HZ PHE 18 -3.326 -2.247 1.462 129 H ASN 19 H ASN 19 -6.743 4.981 2.668 130 HA ASN 19 HA ASN 19 -7.737 6.995 1.004 131 1HB ASN 19 2HB ASN 19 -8.166 6.807 3.455 132 2HB ASN 19 1HB ASN 19 -6.518 7.355 3.750 133 1HD2 ASN 19 1HD2 ASN 19 -9.085 8.386 1.527 134 2HD2 ASN 19 2HD2 ASN 19 -9.075 10.043 2.016 135 H TYR 20 H TYR 20 -4.503 6.504 2.346 136 HA TYR 20 HA TYR 20 -3.521 8.888 0.984 137 1HB TYR 20 2HB TYR 20 -1.898 6.951 2.632 138 2HB TYR 20 1HB TYR 20 -1.514 8.623 2.237 139 HD1 TYR 20 1HD TYR 20 -2.366 10.427 3.546 140 HD2 TYR 20 2HD TYR 20 -3.683 6.448 4.283 141 HE1 TYR 20 1HE TYR 20 -3.403 11.166 5.650 142 HE2 TYR 20 2HE TYR 20 -4.724 7.177 6.388 143 HH TYR 20 HH TYR 20 -4.342 9.122 8.054 144 H VAL 21 H VAL 21 -2.618 8.826 -0.958 145 HA VAL 21 HA VAL 21 -2.444 6.524 -2.523 146 HB VAL 21 HB VAL 21 -0.791 9.013 -2.942 147 1HG1 VAL 21 1HG1 VAL 21 -1.501 8.263 -5.389 148 2HG1 VAL 21 2HG1 VAL 21 -1.572 6.685 -4.605 149 3HG1 VAL 21 3HG1 VAL 21 -0.072 7.612 -4.585 150 1HG2 VAL 21 1HG2 VAL 21 -3.708 8.531 -3.272 151 2HG2 VAL 21 2HG2 VAL 21 -2.880 9.527 -4.468 152 3HG2 VAL 21 3HG2 VAL 21 -2.854 9.988 -2.765 153 H LYS 22 H LYS 22 -0.010 8.144 -0.549 154 HA LYS 22 HA LYS 22 2.266 6.796 -1.399 155 1HB LYS 22 2HB LYS 22 3.070 7.194 1.000 156 2HB LYS 22 1HB LYS 22 2.611 8.606 0.058 157 1HG LYS 22 2HG LYS 22 0.435 7.426 1.629 158 2HG LYS 22 1HG LYS 22 1.769 8.080 2.581 159 1HD LYS 22 2HD LYS 22 1.411 10.056 0.753 160 2HD LYS 22 1HD LYS 22 -0.239 9.460 0.935 161 1HE LYS 22 2HE LYS 22 -0.415 10.204 3.061 162 2HE LYS 22 1HE LYS 22 1.269 9.844 3.436 163 1HZ LYS 22 1HZ LYS 22 1.203 12.136 3.472 164 2HZ LYS 22 2HZ LYS 22 0.130 12.247 2.170 165 3HZ LYS 22 3HZ LYS 22 1.748 11.833 1.898 166 H THR 23 H THR 23 -0.320 5.758 0.700 167 HA THR 23 HA THR 23 0.961 3.498 1.818 168 HB THR 23 HB THR 23 -1.995 3.822 1.304 169 HG1 THR 23 1HG THR 23 -0.384 4.869 3.382 170 1HG2 THR 23 1HG2 THR 23 -1.500 1.641 2.136 171 2HG2 THR 23 2HG2 THR 23 -2.208 2.592 3.441 172 3HG2 THR 23 3HG2 THR 23 -0.468 2.307 3.402 173 H TYR 24 H TYR 24 -1.230 3.866 -0.960 174 HA TYR 24 HA TYR 24 -1.288 1.168 -1.715 175 1HB TYR 24 2HB TYR 24 -2.701 3.198 -2.549 176 2HB TYR 24 1HB TYR 24 -1.419 3.382 -3.740 177 HD1 TYR 24 1HD TYR 24 -2.928 0.266 -2.360 178 HD2 TYR 24 2HD TYR 24 -2.391 2.762 -5.763 179 HE1 TYR 24 1HE TYR 24 -4.000 -1.437 -3.772 180 HE2 TYR 24 2HE TYR 24 -3.463 1.065 -7.185 181 HH TYR 24 HH TYR 24 -3.915 -1.320 -7.182 182 H LEU 25 H LEU 25 1.009 3.720 -2.346 183 HA LEU 25 HA LEU 25 2.452 2.389 -4.395 184 1HB LEU 25 2HB LEU 25 2.869 4.754 -2.666 185 2HB LEU 25 1HB LEU 25 4.318 4.012 -3.318 186 HG LEU 25 HG LEU 25 2.001 5.112 -4.909 187 1HD1 LEU 25 1HD1 LEU 25 4.785 6.084 -5.191 188 2HD1 LEU 25 2HD1 LEU 25 3.898 6.564 -3.745 189 3HD1 LEU 25 3HD1 LEU 25 3.257 6.952 -5.342 190 1HD2 LEU 25 1HD2 LEU 25 3.707 4.681 -6.810 191 2HD2 LEU 25 2HD2 LEU 25 2.725 3.342 -6.216 192 3HD2 LEU 25 3HD2 LEU 25 4.401 3.507 -5.692 193 H ALA 26 H ALA 26 3.282 2.938 -0.988 194 HA ALA 26 HA ALA 26 5.434 1.150 -0.936 195 1HB ALA 26 1HB ALA 26 5.560 2.569 0.837 196 2HB ALA 26 2HB ALA 26 4.795 1.196 1.638 197 3HB ALA 26 3HB ALA 26 3.816 2.562 1.104 198 H HIS 27 H HIS 27 2.061 0.634 -0.903 199 HA HIS 27 HA HIS 27 1.984 -1.823 0.512 200 1HB HIS 27 2HB HIS 27 -0.031 -0.481 0.172 201 2HB HIS 27 1HB HIS 27 0.096 -0.700 -1.570 202 HD1 HIS 27 1HD HIS 27 -1.181 -2.332 1.501 203 HD2 HIS 27 2HD HIS 27 -0.510 -3.322 -2.478 204 HE1 HIS 27 1HE HIS 27 -2.444 -4.483 1.081 205 H LYS 28 H LYS 28 1.876 -1.116 -2.985 206 HA LYS 28 HA LYS 28 2.135 -3.851 -3.726 207 1HB LYS 28 2HB LYS 28 2.214 -1.237 -5.163 208 2HB LYS 28 1HB LYS 28 2.844 -2.658 -5.983 209 1HG LYS 28 2HG LYS 28 0.733 -2.920 -6.671 210 2HG LYS 28 1HG LYS 28 0.474 -3.599 -5.062 211 1HD LYS 28 2HD LYS 28 -1.212 -2.048 -5.128 212 2HD LYS 28 1HD LYS 28 0.081 -1.075 -4.424 213 1HE LYS 28 2HE LYS 28 -0.860 -1.110 -7.284 214 2HE LYS 28 1HE LYS 28 -0.935 0.228 -6.138 215 1HZ LYS 28 1HZ LYS 28 1.472 0.340 -6.151 216 2HZ LYS 28 2HZ LYS 28 0.872 0.501 -7.724 217 3HZ LYS 28 3HZ LYS 28 1.558 -0.963 -7.226 218 H GLN 29 H GLN 29 4.362 -1.587 -2.568 219 HA GLN 29 HA GLN 29 6.670 -2.409 -4.003 220 1HB GLN 29 2HB GLN 29 6.284 -0.949 -1.395 221 2HB GLN 29 1HB GLN 29 7.877 -1.313 -2.042 222 1HG GLN 29 2HG GLN 29 5.936 0.065 -3.812 223 2HG GLN 29 1HG GLN 29 6.670 0.986 -2.499 224 1HE2 GLN 29 1HE2 GLN 29 7.440 2.156 -4.495 225 2HE2 GLN 29 2HE2 GLN 29 8.952 1.649 -5.157 226 H PHE 30 H PHE 30 5.824 -2.969 -0.573 227 HA PHE 30 HA PHE 30 6.765 -5.712 -0.798 228 1HB PHE 30 2HB PHE 30 8.047 -5.143 1.465 229 2HB PHE 30 1HB PHE 30 8.819 -5.020 -0.110 230 HD1 PHE 30 1HD PHE 30 6.410 -2.732 1.561 231 HD2 PHE 30 2HD PHE 30 10.360 -3.305 0.086 232 HE1 PHE 30 1HE PHE 30 6.915 -0.365 2.006 233 HE2 PHE 30 2HE PHE 30 10.873 -0.939 0.529 234 HZ PHE 30 HZ PHE 30 9.149 0.534 1.490 235 H TYR 31 H TYR 31 4.277 -4.048 -0.050 236 HA TYR 31 HA TYR 31 3.785 -5.300 2.568 237 1HB TYR 31 2HB TYR 31 3.395 -2.661 1.756 238 2HB TYR 31 1HB TYR 31 1.780 -3.360 1.762 239 HD1 TYR 31 1HD TYR 31 4.289 -1.848 3.734 240 HD2 TYR 31 2HD TYR 31 1.133 -4.696 3.914 241 HE1 TYR 31 1HE TYR 31 4.189 -1.575 6.176 242 HE2 TYR 31 2HE TYR 31 1.024 -4.430 6.357 243 HH TYR 31 HH TYR 31 1.977 -2.088 7.996 244 H CYS 32 H CYS 32 3.014 -5.482 -0.718 245 HA CYS 32 HA CYS 32 0.409 -6.715 -0.253 246 1HB CYS 32 2HB CYS 32 0.811 -5.060 -2.127 247 2HB CYS 32 1HB CYS 32 1.802 -6.294 -2.897 248 H LYS 33 H LYS 33 -0.087 -8.805 -1.197 249 HA LYS 33 HA LYS 33 2.179 -10.637 -0.929 250 1HB LYS 33 2HB LYS 33 0.507 -12.391 -0.662 251 2HB LYS 33 1HB LYS 33 0.197 -11.070 0.456 252 1HG LYS 33 2HG LYS 33 -1.762 -10.521 -0.519 253 2HG LYS 33 1HG LYS 33 -1.199 -10.936 -2.139 254 1HD LYS 33 2HD LYS 33 -2.567 -12.709 -1.898 255 2HD LYS 33 1HD LYS 33 -1.228 -13.379 -0.964 256 1HE LYS 33 2HE LYS 33 -2.227 -12.776 1.086 257 2HE LYS 33 1HE LYS 33 -3.396 -11.720 0.293 258 1HZ LYS 33 1HZ LYS 33 -4.530 -13.587 -0.595 259 2HZ LYS 33 2HZ LYS 33 -4.298 -13.897 1.052 260 3HZ LYS 33 3HZ LYS 33 -3.319 -14.660 -0.097 261 H ASN 34 H ASN 34 1.689 -9.004 -3.341 262 HA ASN 34 HA ASN 34 1.125 -11.123 -5.302 263 1HB ASN 34 2HB ASN 34 0.753 -8.171 -5.302 264 2HB ASN 34 1HB ASN 34 1.181 -8.926 -6.834 265 1HD2 ASN 34 1HD2 ASN 34 -0.178 -10.737 -7.533 266 2HD2 ASN 34 2HD2 ASN 34 -1.865 -10.691 -7.163 267 H LYS 35 H LYS 35 3.321 -11.928 -4.771 268 HA LYS 35 HA LYS 35 5.578 -12.106 -5.092 269 1HB LYS 35 2HB LYS 35 6.251 -11.801 -7.472 270 2HB LYS 35 1HB LYS 35 4.805 -12.780 -7.263 271 1HG LYS 35 2HG LYS 35 3.400 -10.971 -7.946 272 2HG LYS 35 1HG LYS 35 4.766 -9.853 -7.958 273 1HD LYS 35 2HD LYS 35 4.454 -10.408 -10.211 274 2HD LYS 35 1HD LYS 35 5.799 -11.426 -9.694 275 1HE LYS 35 2HE LYS 35 2.991 -12.446 -9.546 276 2HE LYS 35 1HE LYS 35 3.859 -12.460 -11.081 277 1HZ LYS 35 1HZ LYS 35 5.676 -13.550 -9.477 278 2HZ LYS 35 2HZ LYS 35 4.534 -14.456 -10.335 279 3HZ LYS 35 3HZ LYS 35 4.265 -14.080 -8.708 280 HA PRO 36 HA PRO 36 6.360 -7.507 -4.515 281 1HB PRO 36 2HB PRO 36 7.222 -7.658 -1.947 282 2HB PRO 36 1HB PRO 36 5.519 -7.454 -2.375 283 1HG PRO 36 2HG PRO 36 6.993 -9.942 -1.599 284 2HG PRO 36 1HG PRO 36 5.388 -9.387 -1.088 285 1HD PRO 36 2HD PRO 36 5.737 -11.267 -3.006 286 2HD PRO 36 1HD PRO 36 4.376 -10.127 -3.021 Start of MODEL 20 1 1H GLY 1 1HT GLY 1 -20.599 8.968 -15.914 2 2H GLY 1 2HT GLY 1 -20.912 8.240 -17.408 3 3H GLY 1 3HT GLY 1 -21.420 9.827 -17.120 4 1HA GLY 1 1HA GLY 1 -19.289 9.394 -18.508 5 2HA GLY 1 2HA GLY 1 -19.346 10.719 -17.355 6 H SER 2 H SER 2 -17.521 8.196 -18.407 7 HA SER 2 HA SER 2 -16.015 8.132 -15.882 8 1HB SER 2 2HB SER 2 -16.939 5.834 -17.562 9 2HB SER 2 1HB SER 2 -15.401 5.704 -16.710 10 HG SER 2 HG SER 2 -17.005 4.938 -15.367 11 H ALA 3 H ALA 3 -13.743 7.182 -16.305 12 HA ALA 3 HA ALA 3 -12.680 7.680 -18.946 13 1HB ALA 3 1HB ALA 3 -11.537 9.603 -18.587 14 2HB ALA 3 2HB ALA 3 -11.301 9.274 -16.871 15 3HB ALA 3 3HB ALA 3 -12.852 9.885 -17.446 16 H ALA 4 H ALA 4 -12.686 5.302 -17.769 17 HA ALA 4 HA ALA 4 -11.358 3.539 -17.219 18 1HB ALA 4 1HB ALA 4 -9.442 5.530 -18.258 19 2HB ALA 4 2HB ALA 4 -9.717 3.857 -18.742 20 3HB ALA 4 3HB ALA 4 -8.761 4.214 -17.302 21 H GLU 5 H GLU 5 -9.198 6.054 -15.962 22 HA GLU 5 HA GLU 5 -8.287 6.339 -13.892 23 1HB GLU 5 2HB GLU 5 -10.752 7.175 -13.770 24 2HB GLU 5 1HB GLU 5 -11.000 5.760 -12.756 25 1HG GLU 5 2HG GLU 5 -10.558 7.837 -11.495 26 2HG GLU 5 1HG GLU 5 -9.411 6.542 -11.156 27 H VAL 6 H VAL 6 -6.941 4.553 -13.727 28 HA VAL 6 HA VAL 6 -8.039 2.199 -12.346 29 HB VAL 6 HB VAL 6 -5.388 2.400 -13.774 30 1HG1 VAL 6 1HG1 VAL 6 -6.868 0.241 -12.369 31 2HG1 VAL 6 2HG1 VAL 6 -5.136 0.576 -12.426 32 3HG1 VAL 6 3HG1 VAL 6 -5.934 -0.188 -13.802 33 1HG2 VAL 6 1HG2 VAL 6 -6.548 1.036 -15.546 34 2HG2 VAL 6 2HG2 VAL 6 -7.042 2.726 -15.445 35 3HG2 VAL 6 3HG2 VAL 6 -8.071 1.465 -14.767 36 H MET 7 H MET 7 -6.827 1.247 -10.621 37 HA MET 7 HA MET 7 -5.722 1.306 -8.636 38 1HB MET 7 2HB MET 7 -3.870 3.338 -9.871 39 2HB MET 7 1HB MET 7 -3.511 2.171 -8.606 40 1HG MET 7 2HG MET 7 -4.074 0.414 -10.431 41 2HG MET 7 1HG MET 7 -3.785 1.750 -11.545 42 1HE MET 7 1HE MET 7 -1.989 2.888 -11.965 43 2HE MET 7 2HE MET 7 -0.539 1.936 -12.279 44 3HE MET 7 3HE MET 7 -0.579 3.062 -10.921 45 H LYS 8 H LYS 8 -7.788 2.493 -8.062 46 HA LYS 8 HA LYS 8 -7.348 5.299 -7.381 47 1HB LYS 8 2HB LYS 8 -9.745 3.538 -7.619 48 2HB LYS 8 1HB LYS 8 -9.836 4.923 -6.539 49 1HG LYS 8 2HG LYS 8 -9.151 5.027 -9.469 50 2HG LYS 8 1HG LYS 8 -10.712 5.438 -8.756 51 1HD LYS 8 2HD LYS 8 -8.975 6.974 -7.295 52 2HD LYS 8 1HD LYS 8 -8.240 6.995 -8.898 53 1HE LYS 8 2HE LYS 8 -9.663 8.713 -9.230 54 2HE LYS 8 1HE LYS 8 -10.814 7.419 -9.559 55 1HZ LYS 8 1HZ LYS 8 -10.507 8.284 -6.784 56 2HZ LYS 8 2HZ LYS 8 -11.887 7.750 -7.602 57 3HZ LYS 8 3HZ LYS 8 -11.322 9.327 -7.838 58 H LYS 9 H LYS 9 -5.701 3.738 -5.948 59 HA LYS 9 HA LYS 9 -5.004 3.277 -3.833 60 1HB LYS 9 2HB LYS 9 -7.307 5.111 -3.161 61 2HB LYS 9 1HB LYS 9 -6.154 4.516 -1.975 62 1HG LYS 9 2HG LYS 9 -5.141 6.474 -2.434 63 2HG LYS 9 1HG LYS 9 -4.440 5.532 -3.751 64 1HD LYS 9 2HD LYS 9 -5.209 7.228 -5.025 65 2HD LYS 9 1HD LYS 9 -6.737 6.352 -4.908 66 1HE LYS 9 2HE LYS 9 -6.162 8.205 -2.694 67 2HE LYS 9 1HE LYS 9 -6.424 8.961 -4.265 68 1HZ LYS 9 1HZ LYS 9 -8.409 8.428 -2.659 69 2HZ LYS 9 2HZ LYS 9 -8.318 6.907 -3.393 70 3HZ LYS 9 3HZ LYS 9 -8.580 8.286 -4.337 71 H TYR 10 H TYR 10 -6.155 1.171 -4.770 72 HA TYR 10 HA TYR 10 -7.356 -0.090 -2.509 73 1HB TYR 10 2HB TYR 10 -9.352 1.010 -3.416 74 2HB TYR 10 1HB TYR 10 -9.054 0.275 -4.987 75 HD1 TYR 10 1HD TYR 10 -8.980 -2.338 -5.022 76 HD2 TYR 10 2HD TYR 10 -10.767 -0.048 -1.915 77 HE1 TYR 10 1HE TYR 10 -10.325 -4.289 -4.367 78 HE2 TYR 10 2HE TYR 10 -12.116 -1.993 -1.249 79 HH TYR 10 HH TYR 10 -12.891 -4.336 -2.870 80 H CYS 11 H CYS 11 -6.453 -2.033 -2.473 81 HA CYS 11 HA CYS 11 -5.331 -3.166 -4.894 82 1HB CYS 11 2HB CYS 11 -4.228 -3.161 -2.566 83 2HB CYS 11 1HB CYS 11 -5.331 -4.477 -2.182 84 H SER 12 H SER 12 -6.598 -4.288 -6.211 85 HA SER 12 HA SER 12 -9.083 -5.405 -5.470 86 1HB SER 12 2HB SER 12 -7.480 -6.232 -7.889 87 2HB SER 12 1HB SER 12 -9.233 -6.197 -7.703 88 HG SER 12 HG SER 12 -9.190 -3.985 -7.774 89 H THR 13 H THR 13 -5.842 -6.719 -5.675 90 HA THR 13 HA THR 13 -6.584 -9.456 -5.483 91 HB THR 13 HB THR 13 -3.953 -8.565 -4.425 92 HG1 THR 13 1HG THR 13 -4.815 -8.153 -7.085 93 1HG2 THR 13 1HG2 THR 13 -3.187 -10.297 -6.108 94 2HG2 THR 13 2HG2 THR 13 -4.892 -10.710 -6.294 95 3HG2 THR 13 3HG2 THR 13 -4.109 -10.879 -4.722 96 H CYS 14 H CYS 14 -5.279 -7.176 -3.073 97 HA CYS 14 HA CYS 14 -5.664 -8.985 -0.900 98 1HB CYS 14 2HB CYS 14 -5.025 -6.037 -1.019 99 2HB CYS 14 1HB CYS 14 -5.105 -6.956 0.473 100 H ASP 15 H ASP 15 -7.550 -6.490 -2.420 101 HA ASP 15 HA ASP 15 -9.755 -5.945 -2.211 102 1HB ASP 15 2HB ASP 15 -9.926 -8.453 -1.544 103 2HB ASP 15 1HB ASP 15 -10.068 -7.841 0.102 104 H ILE 16 H ILE 16 -7.989 -4.277 -1.128 105 HA ILE 16 HA ILE 16 -9.420 -3.255 1.207 106 HB ILE 16 HB ILE 16 -6.419 -3.212 1.234 107 1HG1 ILE 16 2HG1 ILE 16 -8.185 -5.335 2.472 108 2HG1 ILE 16 1HG1 ILE 16 -7.083 -5.579 1.121 109 1HG2 ILE 16 1HG2 ILE 16 -6.965 -3.104 3.744 110 2HG2 ILE 16 2HG2 ILE 16 -8.609 -2.742 3.221 111 3HG2 ILE 16 3HG2 ILE 16 -7.282 -1.678 2.755 112 1HD1 ILE 16 1HD1 ILE 16 -5.938 -6.405 2.966 113 2HD1 ILE 16 2HD1 ILE 16 -6.439 -5.064 3.996 114 3HD1 ILE 16 3HD1 ILE 16 -5.251 -4.799 2.720 115 H SER 17 H SER 17 -8.820 -0.979 1.686 116 HA SER 17 HA SER 17 -7.804 0.441 -0.680 117 1HB SER 17 2HB SER 17 -10.469 0.387 -0.005 118 2HB SER 17 1HB SER 17 -9.917 1.865 0.780 119 HG SER 17 HG SER 17 -9.897 2.755 -1.109 120 H PHE 18 H PHE 18 -6.950 2.555 -0.261 121 HA PHE 18 HA PHE 18 -6.284 3.054 2.563 122 1HB PHE 18 2HB PHE 18 -4.349 3.468 0.282 123 2HB PHE 18 1HB PHE 18 -4.015 3.574 2.007 124 HD1 PHE 18 1HD PHE 18 -3.838 1.553 3.365 125 HD2 PHE 18 2HD PHE 18 -4.456 1.356 -0.841 126 HE1 PHE 18 1HE PHE 18 -3.182 -0.818 3.383 127 HE2 PHE 18 2HE PHE 18 -3.801 -1.016 -0.830 128 HZ PHE 18 HZ PHE 18 -3.163 -2.106 1.284 129 H ASN 19 H ASN 19 -6.655 5.069 3.230 130 HA ASN 19 HA ASN 19 -7.938 6.958 1.591 131 1HB ASN 19 2HB ASN 19 -6.862 6.927 4.364 132 2HB ASN 19 1HB ASN 19 -7.169 8.502 3.638 133 1HD2 ASN 19 1HD2 ASN 19 -8.867 5.405 3.366 134 2HD2 ASN 19 2HD2 ASN 19 -10.395 5.999 3.912 135 H TYR 20 H TYR 20 -4.580 6.445 2.377 136 HA TYR 20 HA TYR 20 -3.854 8.905 0.939 137 1HB TYR 20 2HB TYR 20 -2.149 7.182 2.749 138 2HB TYR 20 1HB TYR 20 -1.653 8.693 1.995 139 HD1 TYR 20 1HD TYR 20 -3.392 10.703 2.504 140 HD2 TYR 20 2HD TYR 20 -2.749 7.294 4.967 141 HE1 TYR 20 1HE TYR 20 -4.238 11.954 4.445 142 HE2 TYR 20 2HE TYR 20 -3.594 8.534 6.914 143 HH TYR 20 HH TYR 20 -5.182 11.564 6.618 144 H VAL 21 H VAL 21 -2.901 8.798 -0.994 145 HA VAL 21 HA VAL 21 -2.758 6.411 -2.450 146 HB VAL 21 HB VAL 21 -1.213 8.939 -3.041 147 1HG1 VAL 21 1HG1 VAL 21 -0.415 7.476 -4.596 148 2HG1 VAL 21 2HG1 VAL 21 -1.869 8.015 -5.436 149 3HG1 VAL 21 3HG1 VAL 21 -1.871 6.479 -4.567 150 1HG2 VAL 21 1HG2 VAL 21 -3.925 8.798 -2.700 151 2HG2 VAL 21 2HG2 VAL 21 -3.750 8.531 -4.434 152 3HG2 VAL 21 3HG2 VAL 21 -3.083 9.986 -3.695 153 H LYS 22 H LYS 22 -0.342 8.133 -0.566 154 HA LYS 22 HA LYS 22 1.970 6.859 -1.435 155 1HB LYS 22 2HB LYS 22 1.235 7.880 1.312 156 2HB LYS 22 1HB LYS 22 2.852 7.351 0.870 157 1HG LYS 22 2HG LYS 22 3.242 9.179 -0.446 158 2HG LYS 22 1HG LYS 22 1.532 9.423 -0.804 159 1HD LYS 22 2HD LYS 22 2.259 11.201 0.629 160 2HD LYS 22 1HD LYS 22 1.210 10.134 1.564 161 1HE LYS 22 2HE LYS 22 3.609 9.008 2.059 162 2HE LYS 22 1HE LYS 22 4.093 10.690 1.844 163 1HZ LYS 22 1HZ LYS 22 2.031 9.706 3.743 164 2HZ LYS 22 2HZ LYS 22 2.470 11.325 3.527 165 3HZ LYS 22 3HZ LYS 22 3.590 10.221 4.150 166 H THR 23 H THR 23 -0.536 5.761 0.739 167 HA THR 23 HA THR 23 0.825 3.551 1.845 168 HB THR 23 HB THR 23 -2.139 3.608 1.352 169 HG1 THR 23 1HG THR 23 -0.769 4.998 3.407 170 1HG2 THR 23 1HG2 THR 23 -1.409 1.635 2.467 171 2HG2 THR 23 2HG2 THR 23 -2.205 2.674 3.650 172 3HG2 THR 23 3HG2 THR 23 -0.444 2.574 3.606 173 H TYR 24 H TYR 24 -1.410 3.809 -0.910 174 HA TYR 24 HA TYR 24 -1.363 1.104 -1.645 175 1HB TYR 24 2HB TYR 24 -2.891 3.037 -2.469 176 2HB TYR 24 1HB TYR 24 -1.628 3.319 -3.661 177 HD1 TYR 24 1HD TYR 24 -3.197 0.214 -2.282 178 HD2 TYR 24 2HD TYR 24 -2.298 2.545 -5.726 179 HE1 TYR 24 1HE TYR 24 -4.164 -1.536 -3.713 180 HE2 TYR 24 2HE TYR 24 -3.263 0.801 -7.166 181 HH TYR 24 HH TYR 24 -5.103 -1.114 -6.757 182 H LEU 25 H LEU 25 0.793 3.761 -2.354 183 HA LEU 25 HA LEU 25 2.262 2.511 -4.421 184 1HB LEU 25 2HB LEU 25 2.279 4.988 -3.138 185 2HB LEU 25 1HB LEU 25 3.854 4.304 -2.785 186 HG LEU 25 HG LEU 25 2.948 4.197 -5.610 187 1HD1 LEU 25 1HD1 LEU 25 3.619 6.480 -6.045 188 2HD1 LEU 25 2HD1 LEU 25 3.932 6.742 -4.330 189 3HD1 LEU 25 3HD1 LEU 25 2.285 6.454 -4.891 190 1HD2 LEU 25 1HD2 LEU 25 5.051 3.347 -5.465 191 2HD2 LEU 25 2HD2 LEU 25 5.475 4.333 -4.066 192 3HD2 LEU 25 3HD2 LEU 25 5.463 5.049 -5.678 193 H ALA 26 H ALA 26 3.179 3.050 -1.034 194 HA ALA 26 HA ALA 26 5.381 1.339 -1.049 195 1HB ALA 26 1HB ALA 26 3.674 2.448 1.145 196 2HB ALA 26 2HB ALA 26 5.328 2.868 0.706 197 3HB ALA 26 3HB ALA 26 4.990 1.325 1.491 198 H HIS 27 H HIS 27 2.026 0.674 -0.939 199 HA HIS 27 HA HIS 27 2.098 -1.819 0.405 200 1HB HIS 27 2HB HIS 27 0.014 -0.573 0.149 201 2HB HIS 27 1HB HIS 27 0.109 -0.732 -1.601 202 HD1 HIS 27 1HD HIS 27 -0.891 -2.593 1.474 203 HD2 HIS 27 2HD HIS 27 -0.513 -3.277 -2.607 204 HE1 HIS 27 1HE HIS 27 -2.086 -4.773 1.005 205 H LYS 28 H LYS 28 1.882 -1.034 -3.069 206 HA LYS 28 HA LYS 28 2.233 -3.731 -3.894 207 1HB LYS 28 2HB LYS 28 2.764 -1.256 -5.538 208 2HB LYS 28 1HB LYS 28 2.369 -2.864 -6.129 209 1HG LYS 28 2HG LYS 28 0.414 -1.557 -4.329 210 2HG LYS 28 1HG LYS 28 0.571 -0.923 -5.968 211 1HD LYS 28 2HD LYS 28 0.296 -3.299 -6.780 212 2HD LYS 28 1HD LYS 28 -0.149 -3.723 -5.126 213 1HE LYS 28 2HE LYS 28 -2.170 -2.724 -5.272 214 2HE LYS 28 1HE LYS 28 -1.567 -1.414 -6.287 215 1HZ LYS 28 1HZ LYS 28 -3.015 -2.673 -7.621 216 2HZ LYS 28 2HZ LYS 28 -2.350 -4.145 -7.121 217 3HZ LYS 28 3HZ LYS 28 -1.459 -3.111 -8.121 218 H GLN 29 H GLN 29 4.399 -1.426 -2.701 219 HA GLN 29 HA GLN 29 6.713 -2.129 -4.188 220 1HB GLN 29 2HB GLN 29 6.062 -0.432 -1.898 221 2HB GLN 29 1HB GLN 29 7.639 -1.193 -1.756 222 1HG GLN 29 2HG GLN 29 7.418 1.131 -2.877 223 2HG GLN 29 1HG GLN 29 8.496 -0.077 -3.570 224 1HE2 GLN 29 1HE2 GLN 29 5.629 1.782 -3.993 225 2HE2 GLN 29 2HE2 GLN 29 5.309 1.319 -5.627 226 H PHE 30 H PHE 30 5.947 -2.813 -0.761 227 HA PHE 30 HA PHE 30 7.000 -5.509 -1.087 228 1HB PHE 30 2HB PHE 30 8.258 -4.955 1.198 229 2HB PHE 30 1HB PHE 30 9.021 -4.750 -0.375 230 HD1 PHE 30 1HD PHE 30 6.885 -2.827 2.006 231 HD2 PHE 30 2HD PHE 30 10.111 -2.770 -0.769 232 HE1 PHE 30 1HE PHE 30 7.283 -0.454 2.522 233 HE2 PHE 30 2HE PHE 30 10.514 -0.397 -0.257 234 HZ PHE 30 HZ PHE 30 9.098 0.764 1.390 235 H TYR 31 H TYR 31 4.439 -3.980 -0.265 236 HA TYR 31 HA TYR 31 4.024 -5.331 2.316 237 1HB TYR 31 2HB TYR 31 3.489 -2.717 1.613 238 2HB TYR 31 1HB TYR 31 1.916 -3.492 1.458 239 HD1 TYR 31 1HD TYR 31 4.598 -2.563 3.778 240 HD2 TYR 31 2HD TYR 31 0.765 -4.370 3.401 241 HE1 TYR 31 1HE TYR 31 4.298 -2.421 6.214 242 HE2 TYR 31 2HE TYR 31 0.454 -4.233 5.837 243 HH TYR 31 HH TYR 31 1.973 -2.337 7.782 244 H CYS 32 H CYS 32 3.161 -5.353 -0.990 245 HA CYS 32 HA CYS 32 0.740 -6.916 -0.527 246 1HB CYS 32 2HB CYS 32 0.891 -5.058 -2.259 247 2HB CYS 32 1HB CYS 32 1.927 -6.134 -3.187 248 H LYS 33 H LYS 33 1.027 -9.020 -0.177 249 HA LYS 33 HA LYS 33 3.269 -10.398 -1.460 250 1HB LYS 33 2HB LYS 33 2.848 -12.201 0.129 251 2HB LYS 33 1HB LYS 33 3.029 -10.666 0.968 252 1HG LYS 33 2HG LYS 33 0.273 -11.422 0.252 253 2HG LYS 33 1HG LYS 33 1.064 -12.425 1.468 254 1HD LYS 33 2HD LYS 33 1.059 -10.780 3.013 255 2HD LYS 33 1HD LYS 33 1.395 -9.522 1.822 256 1HE LYS 33 2HE LYS 33 -0.793 -9.091 1.463 257 2HE LYS 33 1HE LYS 33 -1.262 -10.782 1.638 258 1HZ LYS 33 1HZ LYS 33 -0.626 -10.283 4.128 259 2HZ LYS 33 2HZ LYS 33 -2.166 -9.931 3.522 260 3HZ LYS 33 3HZ LYS 33 -1.016 -8.699 3.675 261 H ASN 34 H ASN 34 0.771 -9.597 -2.857 262 HA ASN 34 HA ASN 34 -0.754 -10.434 -4.329 263 1HB ASN 34 2HB ASN 34 1.624 -11.496 -4.962 264 2HB ASN 34 1HB ASN 34 0.751 -12.983 -4.603 265 1HD2 ASN 34 1HD2 ASN 34 1.755 -12.305 -7.127 266 2HD2 ASN 34 2HD2 ASN 34 0.420 -12.103 -8.206 267 H LYS 35 H LYS 35 -2.294 -10.661 -2.556 268 HA LYS 35 HA LYS 35 -2.919 -13.489 -2.009 269 1HB LYS 35 2HB LYS 35 -2.850 -11.128 -0.218 270 2HB LYS 35 1HB LYS 35 -4.187 -12.245 0.014 271 1HG LYS 35 2HG LYS 35 -2.124 -13.977 -0.108 272 2HG LYS 35 1HG LYS 35 -1.325 -12.569 0.596 273 1HD LYS 35 2HD LYS 35 -2.835 -12.520 2.427 274 2HD LYS 35 1HD LYS 35 -3.913 -13.684 1.655 275 1HE LYS 35 2HE LYS 35 -1.188 -14.161 2.834 276 2HE LYS 35 1HE LYS 35 -2.724 -14.881 3.312 277 1HZ LYS 35 1HZ LYS 35 -1.622 -16.518 2.084 278 2HZ LYS 35 2HZ LYS 35 -1.124 -15.432 0.887 279 3HZ LYS 35 3HZ LYS 35 -2.752 -15.877 1.000 280 HA PRO 36 HA PRO 36 -6.439 -11.623 -4.387 281 1HB PRO 36 2HB PRO 36 -6.866 -13.795 -5.956 282 2HB PRO 36 1HB PRO 36 -5.682 -12.543 -6.354 283 1HG PRO 36 2HG PRO 36 -5.253 -15.221 -5.084 284 2HG PRO 36 1HG PRO 36 -4.307 -14.419 -6.351 285 1HD PRO 36 2HD PRO 36 -3.537 -14.449 -3.755 286 2HD PRO 36 1HD PRO 36 -3.175 -13.093 -4.843
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