NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
21095 | 2h3j | 7181 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA MET 1 HA MET 1 4.951 -7.624 -20.053 2 1HB MET 1 2HB MET 1 5.538 -6.005 -18.322 3 2HB MET 1 1HB MET 1 5.170 -5.188 -19.833 4 1HG MET 1 2HG MET 1 2.993 -4.549 -19.006 5 2HG MET 1 1HG MET 1 3.260 -5.465 -17.525 6 1HE MET 1 1HE MET 1 6.193 -3.419 -15.868 7 2HE MET 1 2HE MET 1 6.311 -4.830 -16.920 8 3HE MET 1 3HE MET 1 5.081 -4.771 -15.659 9 H SER 2 H SER 2 5.245 -9.007 -18.360 10 HA SER 2 HA SER 2 2.980 -9.312 -16.493 11 1HB SER 2 2HB SER 2 4.972 -11.469 -17.225 12 2HB SER 2 1HB SER 2 3.435 -11.657 -16.380 13 HG SER 2 HG SER 2 2.439 -11.732 -18.234 14 H ALA 3 H ALA 3 3.882 -7.737 -15.119 15 HA ALA 3 HA ALA 3 5.197 -6.835 -13.505 16 1HB ALA 3 1HB ALA 3 6.437 -9.578 -13.265 17 2HB ALA 3 2HB ALA 3 4.977 -9.052 -12.426 18 3HB ALA 3 3HB ALA 3 6.522 -8.274 -12.079 19 H LEU 4 H LEU 4 7.701 -6.611 -12.901 20 HA LEU 4 HA LEU 4 9.364 -6.897 -15.269 21 1HB LEU 4 2HB LEU 4 8.276 -4.725 -15.552 22 2HB LEU 4 1HB LEU 4 8.831 -4.232 -13.963 23 HG LEU 4 HG LEU 4 11.173 -4.401 -14.761 24 1HD1 LEU 4 1HD1 LEU 4 11.607 -4.587 -17.152 25 2HD1 LEU 4 2HD1 LEU 4 9.890 -4.851 -17.450 26 3HD1 LEU 4 3HD1 LEU 4 10.819 -6.040 -16.537 27 1HD2 LEU 4 1HD2 LEU 4 9.391 -2.595 -16.389 28 2HD2 LEU 4 2HD2 LEU 4 11.122 -2.379 -16.130 29 3HD2 LEU 4 3HD2 LEU 4 10.004 -2.258 -14.771 30 H GLN 5 H GLN 5 10.767 -8.199 -14.274 31 HA GLN 5 HA GLN 5 12.455 -8.906 -12.935 32 1HB GLN 5 2HB GLN 5 12.952 -5.930 -12.758 33 2HB GLN 5 1HB GLN 5 14.090 -7.162 -12.232 34 1HG GLN 5 2HG GLN 5 14.344 -7.975 -14.469 35 2HG GLN 5 1HG GLN 5 13.051 -6.924 -15.046 36 1HE2 GLN 5 1HE2 GLN 5 14.416 -5.972 -16.558 37 2HE2 GLN 5 2HE2 GLN 5 15.635 -4.828 -16.092 38 HA PRO 6 HA PRO 6 10.050 -8.007 -9.074 39 1HB PRO 6 2HB PRO 6 9.652 -10.852 -8.810 40 2HB PRO 6 1HB PRO 6 8.441 -9.593 -9.048 41 1HG PRO 6 2HG PRO 6 9.068 -11.492 -10.924 42 2HG PRO 6 1HG PRO 6 8.383 -9.904 -11.307 43 1HD PRO 6 2HD PRO 6 11.212 -10.850 -11.500 44 2HD PRO 6 1HD PRO 6 10.309 -9.758 -12.572 45 H SER 7 H SER 7 11.434 -7.619 -7.490 46 HA SER 7 HA SER 7 13.569 -9.516 -6.883 47 1HB SER 7 2HB SER 7 14.135 -7.121 -7.105 48 2HB SER 7 1HB SER 7 13.039 -6.742 -5.777 49 HG SER 7 HG SER 7 14.801 -8.684 -5.077 50 H ARG 8 H ARG 8 10.920 -7.813 -5.258 51 HA ARG 8 HA ARG 8 10.590 -10.056 -3.435 52 1HB ARG 8 2HB ARG 8 11.314 -7.262 -2.644 53 2HB ARG 8 1HB ARG 8 10.261 -8.203 -1.600 54 1HG ARG 8 2HG ARG 8 11.956 -9.858 -1.275 55 2HG ARG 8 1HG ARG 8 12.990 -9.104 -2.490 56 1HD ARG 8 2HD ARG 8 13.341 -7.192 -1.133 57 2HD ARG 8 1HD ARG 8 12.066 -7.669 -0.014 58 HE ARG 8 HE ARG 8 13.623 -9.650 0.458 59 1HH1 ARG 8 1HH1 ARG 8 14.779 -6.492 -0.514 60 2HH1 ARG 8 2HH1 ARG 8 16.214 -6.575 0.457 61 1HH2 ARG 8 1HH2 ARG 8 15.507 -9.746 1.765 62 2HH2 ARG 8 2HH2 ARG 8 16.620 -8.408 1.755 63 H SER 9 H SER 9 8.539 -10.021 -2.352 64 HA SER 9 HA SER 9 6.594 -8.156 -3.522 65 1HB SER 9 2HB SER 9 6.159 -11.044 -2.718 66 2HB SER 9 1HB SER 9 4.885 -9.939 -3.249 67 HG SER 9 HG SER 9 6.610 -11.386 -4.736 68 H TYR 10 H TYR 10 5.327 -7.056 -2.158 69 HA TYR 10 HA TYR 10 5.748 -7.547 0.725 70 1HB TYR 10 2HB TYR 10 5.138 -4.926 -0.681 71 2HB TYR 10 1HB TYR 10 5.369 -5.127 1.049 72 HD1 TYR 10 1HD TYR 10 7.111 -5.346 -2.229 73 HD2 TYR 10 2HD TYR 10 7.520 -5.045 1.996 74 HE1 TYR 10 1HE TYR 10 9.514 -4.898 -2.500 75 HE2 TYR 10 2HE TYR 10 9.923 -4.595 1.735 76 HH TYR 10 HH TYR 10 11.703 -4.877 0.171 77 H ARG 11 H ARG 11 3.953 -7.963 1.908 78 HA ARG 11 HA ARG 11 1.366 -7.835 0.555 79 1HB ARG 11 2HB ARG 11 2.122 -9.003 3.236 80 2HB ARG 11 1HB ARG 11 0.524 -9.082 2.514 81 1HG ARG 11 2HG ARG 11 1.480 -10.381 0.640 82 2HG ARG 11 1HG ARG 11 3.037 -10.371 1.475 83 1HD ARG 11 2HD ARG 11 1.938 -11.441 3.425 84 2HD ARG 11 1HD ARG 11 0.454 -11.546 2.481 85 HE ARG 11 HE ARG 11 2.074 -12.850 0.873 86 1HH1 ARG 11 1HH1 ARG 11 1.817 -13.000 4.361 87 2HH1 ARG 11 2HH1 ARG 11 2.377 -14.644 4.463 88 1HH2 ARG 11 1HH2 ARG 11 2.804 -15.015 1.000 89 2HH2 ARG 11 2HH2 ARG 11 2.924 -15.790 2.550 90 H ILE 12 H ILE 12 -0.478 -6.908 1.592 91 HA ILE 12 HA ILE 12 0.176 -4.611 3.296 92 HB ILE 12 HB ILE 12 -2.489 -5.337 2.047 93 1HG1 ILE 12 2HG1 ILE 12 -0.400 -3.381 1.057 94 2HG1 ILE 12 1HG1 ILE 12 -0.749 -4.944 0.328 95 1HG2 ILE 12 1HG2 ILE 12 -3.062 -3.003 2.492 96 2HG2 ILE 12 2HG2 ILE 12 -1.482 -2.756 3.234 97 3HG2 ILE 12 3HG2 ILE 12 -2.643 -3.854 3.980 98 1HD1 ILE 12 1HD1 ILE 12 -1.787 -3.151 -0.924 99 2HD1 ILE 12 2HD1 ILE 12 -2.645 -2.616 0.521 100 3HD1 ILE 12 3HD1 ILE 12 -3.015 -4.185 -0.194 101 H THR 13 H THR 13 0.278 -5.184 5.397 102 HA THR 13 HA THR 13 -1.265 -7.425 6.361 103 HB THR 13 HB THR 13 1.146 -6.858 7.056 104 HG1 THR 13 1HG THR 13 0.134 -7.282 9.467 105 1HG2 THR 13 1HG2 THR 13 -0.346 -4.954 8.868 106 2HG2 THR 13 2HG2 THR 13 0.834 -4.514 7.631 107 3HG2 THR 13 3HG2 THR 13 1.344 -5.423 9.055 108 H GLY 14 H GLY 14 -1.682 -4.078 6.104 109 1HA GLY 14 2HA GLY 14 -4.264 -3.903 6.855 110 2HA GLY 14 1HA GLY 14 -3.419 -3.793 8.393 111 H TYR 15 H TYR 15 -4.462 -1.685 8.457 112 HA TYR 15 HA TYR 15 -3.232 0.322 6.719 113 1HB TYR 15 2HB TYR 15 -5.460 0.653 8.741 114 2HB TYR 15 1HB TYR 15 -4.933 1.847 7.560 115 HD1 TYR 15 1HD TYR 15 -6.865 -1.210 8.087 116 HD2 TYR 15 2HD TYR 15 -5.457 1.562 5.180 117 HE1 TYR 15 1HE TYR 15 -8.463 -2.117 6.453 118 HE2 TYR 15 2HE TYR 15 -7.052 0.661 3.542 119 HH TYR 15 HH TYR 15 -8.348 -1.254 3.096 120 H SER 16 H SER 16 -2.252 2.207 7.631 121 HA SER 16 HA SER 16 -0.586 1.617 9.869 122 1HB SER 16 2HB SER 16 0.339 3.842 9.415 123 2HB SER 16 1HB SER 16 0.186 2.919 7.927 124 HG SER 16 HG SER 16 -0.612 4.984 7.581 125 HA PRO 17 HA PRO 17 -2.892 3.679 13.101 126 1HB PRO 17 2HB PRO 17 -0.437 4.909 14.125 127 2HB PRO 17 1HB PRO 17 -1.460 3.674 14.863 128 1HG PRO 17 2HG PRO 17 1.009 3.119 13.922 129 2HG PRO 17 1HG PRO 17 -0.316 1.940 13.873 130 1HD PRO 17 2HD PRO 17 0.757 3.674 11.677 131 2HD PRO 17 1HD PRO 17 0.256 1.970 11.626 132 H ALA 18 H ALA 18 -0.990 5.378 10.839 133 HA ALA 18 HA ALA 18 -1.697 8.017 11.830 134 1HB ALA 18 1HB ALA 18 -0.194 7.262 9.333 135 2HB ALA 18 2HB ALA 18 0.541 7.594 10.901 136 3HB ALA 18 3HB ALA 18 -0.322 8.871 10.043 137 H ILE 19 H ILE 19 -3.310 5.733 10.116 138 HA ILE 19 HA ILE 19 -4.381 7.219 7.961 139 HB ILE 19 HB ILE 19 -4.478 4.746 8.098 140 1HG1 ILE 19 2HG1 ILE 19 -7.211 6.017 7.862 141 2HG1 ILE 19 1HG1 ILE 19 -5.975 6.048 6.605 142 1HG2 ILE 19 1HG2 ILE 19 -5.017 4.429 10.420 143 2HG2 ILE 19 2HG2 ILE 19 -6.274 3.688 9.429 144 3HG2 ILE 19 3HG2 ILE 19 -6.568 5.241 10.211 145 1HD1 ILE 19 1HD1 ILE 19 -6.053 3.616 6.473 146 2HD1 ILE 19 2HD1 ILE 19 -7.636 4.331 6.179 147 3HD1 ILE 19 3HD1 ILE 19 -7.284 3.586 7.737 148 H SER 20 H SER 20 -5.906 8.769 7.925 149 HA SER 20 HA SER 20 -7.524 9.191 10.333 150 1HB SER 20 2HB SER 20 -5.918 11.407 9.040 151 2HB SER 20 1HB SER 20 -6.870 11.500 10.522 152 HG SER 20 HG SER 20 -4.548 9.901 10.119 153 H ASN 21 H ASN 21 -9.351 10.544 10.046 154 HA ASN 21 HA ASN 21 -11.038 11.654 9.035 155 1HB ASN 21 2HB ASN 21 -9.059 13.095 8.351 156 2HB ASN 21 1HB ASN 21 -9.122 12.285 6.789 157 1HD2 ASN 21 1HD2 ASN 21 -9.606 14.188 5.702 158 2HD2 ASN 21 2HD2 ASN 21 -11.164 14.944 5.819 159 H GLY 22 H GLY 22 -10.948 8.868 8.537 160 1HA GLY 22 2HA GLY 22 -12.288 7.425 7.326 161 2HA GLY 22 1HA GLY 22 -12.894 8.823 6.455 162 H TYR 23 H TYR 23 -9.477 8.309 6.463 163 HA TYR 23 HA TYR 23 -9.381 8.112 3.656 164 1HB TYR 23 2HB TYR 23 -7.459 8.171 5.847 165 2HB TYR 23 1HB TYR 23 -6.939 7.155 4.509 166 HD1 TYR 23 1HD TYR 23 -7.578 8.373 2.114 167 HD2 TYR 23 2HD TYR 23 -6.613 10.320 5.773 168 HE1 TYR 23 1HE TYR 23 -6.868 10.363 0.861 169 HE2 TYR 23 2HE TYR 23 -5.902 12.316 4.526 170 HH TYR 23 HH TYR 23 -6.552 12.739 1.196 171 H ARG 24 H ARG 24 -9.707 5.699 6.125 172 HA ARG 24 HA ARG 24 -8.797 3.441 4.737 173 1HB ARG 24 2HB ARG 24 -9.613 3.584 7.171 174 2HB ARG 24 1HB ARG 24 -11.238 3.430 6.514 175 1HG ARG 24 2HG ARG 24 -10.063 1.366 5.282 176 2HG ARG 24 1HG ARG 24 -9.086 1.429 6.747 177 1HD ARG 24 2HD ARG 24 -12.079 1.126 6.560 178 2HD ARG 24 1HD ARG 24 -10.915 -0.088 7.084 179 HE ARG 24 HE ARG 24 -11.613 2.356 8.585 180 1HH1 ARG 24 1HH1 ARG 24 -10.399 -0.922 8.457 181 2HH1 ARG 24 2HH1 ARG 24 -10.370 -1.127 10.181 182 1HH2 ARG 24 1HH2 ARG 24 -11.606 2.093 10.864 183 2HH2 ARG 24 2HH2 ARG 24 -11.068 0.585 11.553 184 H GLN 25 H GLN 25 -11.785 5.238 4.619 185 HA GLN 25 HA GLN 25 -13.228 3.442 2.987 186 1HB GLN 25 2HB GLN 25 -13.525 6.367 3.624 187 2HB GLN 25 1HB GLN 25 -14.668 5.492 2.632 188 1HG GLN 25 2HG GLN 25 -15.288 4.073 4.431 189 2HG GLN 25 1HG GLN 25 -13.963 4.667 5.430 190 1HE2 GLN 25 1HE2 GLN 25 -14.374 7.437 4.639 191 2HE2 GLN 25 2HE2 GLN 25 -15.793 7.974 5.475 192 H ARG 26 H ARG 26 -11.132 6.193 2.350 193 HA ARG 26 HA ARG 26 -11.577 6.303 -0.449 194 1HB ARG 26 2HB ARG 26 -10.503 8.124 0.869 195 2HB ARG 26 1HB ARG 26 -9.099 7.097 1.103 196 1HG ARG 26 2HG ARG 26 -8.583 8.610 -0.647 197 2HG ARG 26 1HG ARG 26 -8.841 7.031 -1.387 198 1HD ARG 26 2HD ARG 26 -9.935 8.699 -2.730 199 2HD ARG 26 1HD ARG 26 -11.166 7.721 -1.927 200 HE ARG 26 HE ARG 26 -10.587 9.981 -0.350 201 1HH1 ARG 26 1HH1 ARG 26 -12.183 9.146 -3.363 202 2HH1 ARG 26 2HH1 ARG 26 -13.252 10.522 -3.313 203 1HH2 ARG 26 1HH2 ARG 26 -11.972 11.769 -0.293 204 2HH2 ARG 26 2HH2 ARG 26 -13.128 12.018 -1.572 205 H LEU 27 H LEU 27 -9.274 4.625 1.608 206 HA LEU 27 HA LEU 27 -7.721 3.468 -0.462 207 1HB LEU 27 2HB LEU 27 -8.177 2.495 2.365 208 2HB LEU 27 1HB LEU 27 -6.904 1.944 1.293 209 HG LEU 27 HG LEU 27 -7.183 4.768 2.324 210 1HD1 LEU 27 1HD1 LEU 27 -5.329 2.553 3.173 211 2HD1 LEU 27 2HD1 LEU 27 -6.650 3.231 4.122 212 3HD1 LEU 27 3HD1 LEU 27 -5.251 4.227 3.723 213 1HD2 LEU 27 1HD2 LEU 27 -6.069 4.648 0.165 214 2HD2 LEU 27 2HD2 LEU 27 -4.968 3.419 0.790 215 3HD2 LEU 27 3HD2 LEU 27 -4.925 5.057 1.442 216 H PHE 28 H PHE 28 -10.492 2.310 1.408 217 HA PHE 28 HA PHE 28 -10.661 -0.272 0.311 218 1HB PHE 28 2HB PHE 28 -11.898 0.666 2.315 219 2HB PHE 28 1HB PHE 28 -13.008 1.413 1.180 220 HD1 PHE 28 1HD PHE 28 -11.585 -1.897 2.112 221 HD2 PHE 28 2HD PHE 28 -14.858 0.248 0.431 222 HE1 PHE 28 1HE PHE 28 -12.895 -3.976 2.018 223 HE2 PHE 28 2HE PHE 28 -16.169 -1.830 0.329 224 HZ PHE 28 HZ PHE 28 -15.189 -3.945 1.124 225 H SER 29 H SER 29 -12.085 2.793 -0.668 226 HA SER 29 HA SER 29 -13.540 1.908 -2.882 227 1HB SER 29 2HB SER 29 -12.151 4.561 -2.441 228 2HB SER 29 1HB SER 29 -13.367 4.252 -3.677 229 HG SER 29 HG SER 29 -13.710 4.124 -0.854 230 H MET 30 H MET 30 -10.140 2.679 -2.498 231 HA MET 30 HA MET 30 -9.620 2.512 -5.338 232 1HB MET 30 2HB MET 30 -7.860 2.953 -2.937 233 2HB MET 30 1HB MET 30 -7.206 2.764 -4.555 234 1HG MET 30 2HG MET 30 -8.638 4.683 -5.269 235 2HG MET 30 1HG MET 30 -9.057 4.917 -3.572 236 1HE MET 30 1HE MET 30 -7.290 5.523 -1.698 237 2HE MET 30 2HE MET 30 -5.581 5.831 -2.004 238 3HE MET 30 3HE MET 30 -6.227 4.195 -2.162 239 H GLY 31 H GLY 31 -9.893 0.304 -2.811 240 1HA GLY 31 2HA GLY 31 -9.878 -2.029 -3.158 241 2HA GLY 31 1HA GLY 31 -8.820 -1.795 -4.541 242 H LEU 32 H LEU 32 -8.149 -0.252 -1.492 243 HA LEU 32 HA LEU 32 -5.817 -2.016 -1.183 244 1HB LEU 32 2HB LEU 32 -6.318 0.757 -0.090 245 2HB LEU 32 1HB LEU 32 -4.869 -0.190 0.191 246 HG LEU 32 HG LEU 32 -5.799 0.808 -2.508 247 1HD1 LEU 32 1HD1 LEU 32 -3.551 1.741 -0.726 248 2HD1 LEU 32 2HD1 LEU 32 -5.039 2.623 -1.072 249 3HD1 LEU 32 3HD1 LEU 32 -3.876 2.314 -2.361 250 1HD2 LEU 32 1HD2 LEU 32 -3.616 0.043 -3.292 251 2HD2 LEU 32 2HD2 LEU 32 -4.565 -1.297 -2.646 252 3HD2 LEU 32 3HD2 LEU 32 -3.259 -0.599 -1.687 253 H LEU 33 H LEU 33 -6.407 -3.658 0.099 254 HA LEU 33 HA LEU 33 -7.386 -2.999 2.768 255 1HB LEU 33 2HB LEU 33 -8.940 -4.867 2.719 256 2HB LEU 33 1HB LEU 33 -9.334 -3.700 1.479 257 HG LEU 33 HG LEU 33 -7.745 -6.172 0.838 258 1HD1 LEU 33 1HD1 LEU 33 -10.745 -5.881 0.865 259 2HD1 LEU 33 2HD1 LEU 33 -9.792 -6.907 1.936 260 3HD1 LEU 33 3HD1 LEU 33 -9.850 -7.252 0.207 261 1HD2 LEU 33 1HD2 LEU 33 -8.626 -5.814 -1.394 262 2HD2 LEU 33 2HD2 LEU 33 -7.827 -4.348 -0.821 263 3HD2 LEU 33 3HD2 LEU 33 -9.587 -4.451 -0.821 264 HA PRO 34 HA PRO 34 -4.290 -5.809 4.224 265 1HB PRO 34 2HB PRO 34 -6.294 -7.006 6.036 266 2HB PRO 34 1HB PRO 34 -4.777 -6.188 6.422 267 1HG PRO 34 2HG PRO 34 -7.136 -5.017 6.883 268 2HG PRO 34 1HG PRO 34 -5.735 -4.081 6.328 269 1HD PRO 34 2HD PRO 34 -8.105 -5.049 4.776 270 2HD PRO 34 1HD PRO 34 -7.252 -3.493 4.681 271 H GLY 35 H GLY 35 -3.548 -7.747 3.587 272 1HA GLY 35 2HA GLY 35 -3.945 -10.163 3.426 273 2HA GLY 35 1HA GLY 35 -5.547 -9.786 2.811 274 H ALA 36 H ALA 36 -4.105 -7.517 1.253 275 HA ALA 36 HA ALA 36 -3.671 -9.122 -1.099 276 1HB ALA 36 1HB ALA 36 -3.617 -7.001 -2.291 277 2HB ALA 36 2HB ALA 36 -3.635 -6.122 -0.764 278 3HB ALA 36 3HB ALA 36 -5.033 -7.084 -1.243 279 H ALA 37 H ALA 37 -1.852 -8.145 -2.528 280 HA ALA 37 HA ALA 37 0.599 -7.662 -1.041 281 1HB ALA 37 1HB ALA 37 1.778 -9.570 -2.003 282 2HB ALA 37 2HB ALA 37 0.292 -10.100 -2.794 283 3HB ALA 37 3HB ALA 37 0.404 -10.103 -1.035 284 H LEU 38 H LEU 38 2.264 -6.799 -2.276 285 HA LEU 38 HA LEU 38 1.590 -6.179 -5.080 286 1HB LEU 38 2HB LEU 38 3.170 -4.435 -3.202 287 2HB LEU 38 1HB LEU 38 2.670 -4.039 -4.828 288 HG LEU 38 HG LEU 38 0.779 -4.431 -2.504 289 1HD1 LEU 38 1HD1 LEU 38 0.509 -2.015 -2.556 290 2HD1 LEU 38 2HD1 LEU 38 1.706 -1.893 -3.845 291 3HD1 LEU 38 3HD1 LEU 38 2.192 -2.441 -2.240 292 1HD2 LEU 38 1HD2 LEU 38 -0.223 -4.971 -4.658 293 2HD2 LEU 38 2HD2 LEU 38 0.323 -3.427 -5.311 294 3HD2 LEU 38 3HD2 LEU 38 -0.880 -3.463 -4.024 295 H ARG 39 H ARG 39 3.053 -6.743 -6.521 296 HA ARG 39 HA ARG 39 5.637 -7.791 -5.607 297 1HB ARG 39 2HB ARG 39 4.215 -9.240 -7.014 298 2HB ARG 39 1HB ARG 39 4.233 -8.023 -8.282 299 1HG ARG 39 2HG ARG 39 6.577 -8.349 -8.644 300 2HG ARG 39 1HG ARG 39 6.685 -9.423 -7.246 301 1HD ARG 39 2HD ARG 39 5.070 -9.936 -9.743 302 2HD ARG 39 1HD ARG 39 6.623 -10.676 -9.354 303 HE ARG 39 HE ARG 39 4.307 -11.039 -7.567 304 1HH1 ARG 39 1HH1 ARG 39 6.662 -12.393 -9.783 305 2HH1 ARG 39 2HH1 ARG 39 6.420 -14.030 -9.246 306 1HH2 ARG 39 1HH2 ARG 39 3.968 -13.179 -6.880 307 2HH2 ARG 39 2HH2 ARG 39 4.883 -14.478 -7.582 308 H VAL 40 H VAL 40 7.418 -6.574 -5.848 309 HA VAL 40 HA VAL 40 7.185 -3.907 -6.689 310 HB VAL 40 HB VAL 40 8.820 -4.665 -4.999 311 1HG1 VAL 40 1HG1 VAL 40 10.318 -5.790 -7.355 312 2HG1 VAL 40 2HG1 VAL 40 9.603 -6.702 -6.025 313 3HG1 VAL 40 3HG1 VAL 40 10.963 -5.620 -5.724 314 1HG2 VAL 40 1HG2 VAL 40 10.029 -3.211 -7.345 315 2HG2 VAL 40 2HG2 VAL 40 10.654 -3.202 -5.695 316 3HG2 VAL 40 3HG2 VAL 40 9.081 -2.487 -6.046 317 H VAL 41 H VAL 41 7.193 -3.017 -8.626 318 HA VAL 41 HA VAL 41 8.729 -4.265 -10.783 319 HB VAL 41 HB VAL 41 6.882 -1.863 -10.801 320 1HG1 VAL 41 1HG1 VAL 41 7.147 -1.871 -13.227 321 2HG1 VAL 41 2HG1 VAL 41 8.354 -3.149 -13.095 322 3HG1 VAL 41 3HG1 VAL 41 8.678 -1.554 -12.414 323 1HG2 VAL 41 1HG2 VAL 41 6.584 -4.633 -11.959 324 2HG2 VAL 41 2HG2 VAL 41 5.455 -3.302 -12.206 325 3HG2 VAL 41 3HG2 VAL 41 5.694 -3.968 -10.590 326 H ARG 42 H ARG 42 8.363 -1.073 -9.220 327 HA ARG 42 HA ARG 42 10.989 -0.743 -8.462 328 1HB ARG 42 2HB ARG 42 11.960 0.779 -10.097 329 2HB ARG 42 1HB ARG 42 11.609 -0.777 -10.832 330 1HG ARG 42 2HG ARG 42 9.691 0.112 -11.952 331 2HG ARG 42 1HG ARG 42 9.836 1.642 -11.082 332 1HD ARG 42 2HD ARG 42 11.993 2.049 -12.150 333 2HD ARG 42 1HD ARG 42 11.866 0.516 -13.008 334 HE ARG 42 HE ARG 42 9.882 1.499 -14.129 335 1HH1 ARG 42 1HH1 ARG 42 12.287 3.605 -12.696 336 2HH1 ARG 42 2HH1 ARG 42 11.966 4.923 -13.790 337 1HH2 ARG 42 1HH2 ARG 42 9.453 3.218 -15.565 338 2HH2 ARG 42 2HH2 ARG 42 10.361 4.696 -15.433 339 H ILE 43 H ILE 43 11.470 1.288 -7.567 340 HA ILE 43 HA ILE 43 9.303 3.296 -7.632 341 HB ILE 43 HB ILE 43 11.315 2.756 -5.422 342 1HG1 ILE 43 2HG1 ILE 43 8.299 2.506 -5.446 343 2HG1 ILE 43 1HG1 ILE 43 9.428 1.159 -5.547 344 1HG2 ILE 43 1HG2 ILE 43 10.923 5.162 -5.640 345 2HG2 ILE 43 2HG2 ILE 43 10.172 4.546 -4.169 346 3HG2 ILE 43 3HG2 ILE 43 9.181 4.896 -5.583 347 1HD1 ILE 43 1HD1 ILE 43 8.526 1.405 -3.306 348 2HD1 ILE 43 2HD1 ILE 43 9.145 3.055 -3.227 349 3HD1 ILE 43 3HD1 ILE 43 10.266 1.696 -3.323 350 H ALA 44 H ALA 44 9.963 5.412 -8.141 351 HA ALA 44 HA ALA 44 12.511 5.741 -9.405 352 1HB ALA 44 1HB ALA 44 10.531 6.909 -10.242 353 2HB ALA 44 2HB ALA 44 11.801 8.051 -9.797 354 3HB ALA 44 3HB ALA 44 10.420 7.807 -8.728 355 HA PRO 45 HA PRO 45 14.860 6.701 -5.820 356 1HB PRO 45 2HB PRO 45 16.959 7.962 -7.002 357 2HB PRO 45 1HB PRO 45 16.713 6.212 -7.079 358 1HG PRO 45 2HG PRO 45 16.008 8.314 -9.101 359 2HG PRO 45 1HG PRO 45 16.792 6.742 -9.353 360 1HD PRO 45 2HD PRO 45 14.180 7.096 -9.843 361 2HD PRO 45 1HD PRO 45 14.800 5.575 -9.167 362 H LEU 46 H LEU 46 13.798 9.182 -7.983 363 HA LEU 46 HA LEU 46 14.616 11.535 -6.802 364 1HB LEU 46 2HB LEU 46 12.191 10.693 -8.305 365 2HB LEU 46 1HB LEU 46 12.106 12.219 -7.453 366 HG LEU 46 HG LEU 46 12.732 12.589 -9.768 367 1HD1 LEU 46 1HD1 LEU 46 14.776 13.877 -9.442 368 2HD1 LEU 46 2HD1 LEU 46 15.085 13.027 -7.927 369 3HD1 LEU 46 3HD1 LEU 46 13.679 14.084 -8.076 370 1HD2 LEU 46 1HD2 LEU 46 15.089 10.793 -9.197 371 2HD2 LEU 46 2HD2 LEU 46 14.839 11.721 -10.676 372 3HD2 LEU 46 3HD2 LEU 46 13.725 10.422 -10.251 373 H GLY 47 H GLY 47 11.931 9.463 -5.981 374 1HA GLY 47 2HA GLY 47 11.931 10.114 -3.243 375 2HA GLY 47 1HA GLY 47 10.671 11.011 -4.075 376 H ASP 48 H ASP 48 9.202 9.755 -5.474 377 HA ASP 48 HA ASP 48 8.956 6.968 -5.173 378 1HB ASP 48 2HB ASP 48 7.088 6.898 -3.634 379 2HB ASP 48 1HB ASP 48 8.494 7.590 -2.840 380 HA PRO 49 HA PRO 49 5.073 6.869 -6.643 381 1HB PRO 49 2HB PRO 49 5.374 5.523 -8.970 382 2HB PRO 49 1HB PRO 49 5.392 7.289 -8.946 383 1HG PRO 49 2HG PRO 49 7.589 5.449 -9.491 384 2HG PRO 49 1HG PRO 49 7.530 7.205 -9.710 385 1HD PRO 49 2HD PRO 49 8.600 5.637 -7.449 386 2HD PRO 49 1HD PRO 49 8.938 7.320 -7.912 387 H ILE 50 H ILE 50 4.357 4.372 -7.366 388 HA ILE 50 HA ILE 50 6.447 2.503 -6.563 389 HB ILE 50 HB ILE 50 3.699 2.483 -5.262 390 1HG1 ILE 50 2HG1 ILE 50 6.469 2.809 -4.086 391 2HG1 ILE 50 1HG1 ILE 50 5.242 4.068 -4.212 392 1HG2 ILE 50 1HG2 ILE 50 5.949 0.492 -5.020 393 2HG2 ILE 50 2HG2 ILE 50 4.421 0.228 -5.857 394 3HG2 ILE 50 3HG2 ILE 50 4.441 0.459 -4.107 395 1HD1 ILE 50 1HD1 ILE 50 5.355 3.215 -1.961 396 2HD1 ILE 50 2HD1 ILE 50 5.091 1.570 -2.538 397 3HD1 ILE 50 3HD1 ILE 50 3.812 2.773 -2.690 398 H GLN 51 H GLN 51 6.569 1.636 -8.565 399 HA GLN 51 HA GLN 51 4.168 0.693 -9.878 400 1HB GLN 51 2HB GLN 51 7.096 0.618 -10.580 401 2HB GLN 51 1HB GLN 51 5.897 -0.269 -11.501 402 1HG GLN 51 2HG GLN 51 5.819 2.696 -11.046 403 2HG GLN 51 1HG GLN 51 6.519 1.918 -12.459 404 1HE2 GLN 51 1HE2 GLN 51 5.104 2.918 -13.862 405 2HE2 GLN 51 2HE2 GLN 51 3.433 2.484 -13.962 406 H VAL 52 H VAL 52 3.309 -1.191 -9.480 407 HA VAL 52 HA VAL 52 5.007 -3.434 -8.662 408 HB VAL 52 HB VAL 52 3.300 -4.084 -6.923 409 1HG1 VAL 52 1HG1 VAL 52 4.882 -1.565 -6.419 410 2HG1 VAL 52 2HG1 VAL 52 5.475 -3.221 -6.292 411 3HG1 VAL 52 3HG1 VAL 52 4.237 -2.645 -5.181 412 1HG2 VAL 52 1HG2 VAL 52 1.932 -2.303 -5.950 413 2HG2 VAL 52 2HG2 VAL 52 1.490 -2.627 -7.626 414 3HG2 VAL 52 3HG2 VAL 52 2.454 -1.204 -7.229 415 H GLU 53 H GLU 53 3.636 -5.466 -8.510 416 HA GLU 53 HA GLU 53 1.535 -5.455 -10.573 417 1HB GLU 53 2HB GLU 53 3.952 -6.620 -10.894 418 2HB GLU 53 1HB GLU 53 3.118 -7.929 -10.070 419 1HG GLU 53 2HG GLU 53 2.024 -6.604 -12.533 420 2HG GLU 53 1HG GLU 53 3.113 -7.986 -12.595 421 H THR 54 H THR 54 -0.176 -7.033 -10.183 422 HA THR 54 HA THR 54 -0.433 -7.621 -7.301 423 HB THR 54 HB THR 54 -2.905 -7.220 -7.628 424 HG1 THR 54 1HG THR 54 -2.011 -5.943 -10.028 425 1HG2 THR 54 1HG2 THR 54 -2.720 -4.784 -7.465 426 2HG2 THR 54 2HG2 THR 54 -1.075 -4.862 -8.097 427 3HG2 THR 54 3HG2 THR 54 -1.452 -5.576 -6.529 428 H ARG 55 H ARG 55 -0.962 -8.685 -10.565 429 HA ARG 55 HA ARG 55 -1.146 -11.402 -10.029 430 1HB ARG 55 2HB ARG 55 -3.270 -10.998 -8.930 431 2HB ARG 55 1HB ARG 55 -3.848 -10.058 -10.300 432 1HG ARG 55 2HG ARG 55 -4.871 -12.236 -10.315 433 2HG ARG 55 1HG ARG 55 -3.778 -12.085 -11.690 434 1HD ARG 55 2HD ARG 55 -2.047 -13.288 -10.344 435 2HD ARG 55 1HD ARG 55 -3.276 -13.568 -9.112 436 HE ARG 55 HE ARG 55 -4.253 -14.459 -11.585 437 1HH1 ARG 55 1HH1 ARG 55 -1.920 -15.328 -9.127 438 2HH1 ARG 55 2HH1 ARG 55 -1.855 -17.000 -9.589 439 1HH2 ARG 55 1HH2 ARG 55 -4.199 -16.652 -12.186 440 2HH2 ARG 55 2HH2 ARG 55 -3.160 -17.754 -11.332 441 H GLN 56 H GLN 56 -2.768 -8.978 -12.060 442 HA GLN 56 HA GLN 56 -1.447 -10.089 -14.420 443 1HB GLN 56 2HB GLN 56 -4.414 -9.878 -14.006 444 2HB GLN 56 1HB GLN 56 -3.713 -9.820 -15.612 445 1HG GLN 56 2HG GLN 56 -3.305 -12.075 -13.663 446 2HG GLN 56 1HG GLN 56 -4.540 -12.059 -14.922 447 1HE2 GLN 56 1HE2 GLN 56 -1.134 -12.278 -14.241 448 2HE2 GLN 56 2HE2 GLN 56 -0.658 -12.848 -15.807 449 H THR 57 H THR 57 -1.934 -7.489 -12.637 450 HA THR 57 HA THR 57 -1.676 -5.650 -14.854 451 HB THR 57 HB THR 57 -4.106 -5.751 -14.586 452 HG1 THR 57 1HG THR 57 -4.141 -3.334 -13.682 453 1HG2 THR 57 1HG2 THR 57 -4.216 -6.407 -12.229 454 2HG2 THR 57 2HG2 THR 57 -5.198 -4.975 -12.540 455 3HG2 THR 57 3HG2 THR 57 -3.626 -4.813 -11.757 456 H SER 58 H SER 58 -0.527 -3.858 -14.367 457 HA SER 58 HA SER 58 0.914 -3.886 -11.880 458 1HB SER 58 2HB SER 58 2.093 -1.902 -12.961 459 2HB SER 58 1HB SER 58 2.205 -3.438 -13.818 460 HG SER 58 HG SER 58 0.115 -1.663 -14.429 461 H LEU 59 H LEU 59 1.039 -2.193 -10.378 462 HA LEU 59 HA LEU 59 -1.161 -0.259 -10.462 463 1HB LEU 59 2HB LEU 59 -1.549 -2.308 -9.001 464 2HB LEU 59 1HB LEU 59 -0.275 -1.705 -7.972 465 HG LEU 59 HG LEU 59 -2.695 -1.275 -7.285 466 1HD1 LEU 59 1HD1 LEU 59 -0.791 1.046 -7.442 467 2HD1 LEU 59 2HD1 LEU 59 -0.842 -0.189 -6.183 468 3HD1 LEU 59 3HD1 LEU 59 -2.191 0.931 -6.375 469 1HD2 LEU 59 1HD2 LEU 59 -2.453 0.798 -9.454 470 2HD2 LEU 59 2HD2 LEU 59 -3.727 0.739 -8.237 471 3HD2 LEU 59 3HD2 LEU 59 -3.574 -0.563 -9.415 472 H ALA 60 H ALA 60 -0.755 1.714 -9.419 473 HA ALA 60 HA ALA 60 1.964 2.195 -8.430 474 1HB ALA 60 1HB ALA 60 1.973 2.761 -10.822 475 2HB ALA 60 2HB ALA 60 2.227 4.179 -9.804 476 3HB ALA 60 3HB ALA 60 0.653 3.896 -10.548 477 H LEU 61 H LEU 61 2.155 3.974 -7.005 478 HA LEU 61 HA LEU 61 -0.046 5.679 -6.402 479 1HB LEU 61 2HB LEU 61 -0.366 4.877 -4.056 480 2HB LEU 61 1HB LEU 61 -0.993 3.800 -5.282 481 HG LEU 61 HG LEU 61 1.346 2.624 -4.949 482 1HD1 LEU 61 1HD1 LEU 61 2.224 4.267 -3.383 483 2HD1 LEU 61 2HD1 LEU 61 2.076 2.679 -2.630 484 3HD1 LEU 61 3HD1 LEU 61 0.888 3.936 -2.280 485 1HD2 LEU 61 1HD2 LEU 61 -0.952 2.334 -3.024 486 2HD2 LEU 61 2HD2 LEU 61 0.290 1.121 -3.341 487 3HD2 LEU 61 3HD2 LEU 61 -0.834 1.589 -4.617 488 H ARG 62 H ARG 62 0.567 6.724 -4.017 489 HA ARG 62 HA ARG 62 3.395 7.453 -4.386 490 1HB ARG 62 2HB ARG 62 1.207 9.117 -3.150 491 2HB ARG 62 1HB ARG 62 2.881 9.607 -3.373 492 1HG ARG 62 2HG ARG 62 0.907 8.974 -5.512 493 2HG ARG 62 1HG ARG 62 1.472 10.574 -5.058 494 1HD ARG 62 2HD ARG 62 3.134 8.349 -6.230 495 2HD ARG 62 1HD ARG 62 2.574 9.782 -7.085 496 HE ARG 62 HE ARG 62 4.626 9.715 -4.973 497 1HH1 ARG 62 1HH1 ARG 62 2.910 11.457 -7.488 498 2HH1 ARG 62 2HH1 ARG 62 4.137 12.667 -7.670 499 1HH2 ARG 62 1HH2 ARG 62 6.249 11.291 -5.223 500 2HH2 ARG 62 2HH2 ARG 62 6.056 12.562 -6.394 501 H ARG 63 H ARG 63 4.390 8.409 -2.492 502 HA ARG 63 HA ARG 63 4.586 6.497 -0.416 503 1HB ARG 63 2HB ARG 63 6.135 7.965 0.660 504 2HB ARG 63 1HB ARG 63 6.399 8.082 -1.070 505 1HG ARG 63 2HG ARG 63 5.152 10.185 -1.119 506 2HG ARG 63 1HG ARG 63 4.896 10.069 0.624 507 1HD ARG 63 2HD ARG 63 7.328 10.114 0.963 508 2HD ARG 63 1HD ARG 63 7.560 10.269 -0.777 509 HE ARG 63 HE ARG 63 6.319 12.308 0.965 510 1HH1 ARG 63 1HH1 ARG 63 7.858 11.387 -2.060 511 2HH1 ARG 63 2HH1 ARG 63 8.238 13.034 -2.513 512 1HH2 ARG 63 1HH2 ARG 63 6.785 14.474 0.346 513 2HH2 ARG 63 2HH2 ARG 63 7.571 14.785 -1.177 514 H LYS 64 H LYS 64 2.774 9.488 -0.619 515 HA LYS 64 HA LYS 64 2.106 9.615 2.137 516 1HB LYS 64 2HB LYS 64 0.758 10.877 -0.248 517 2HB LYS 64 1HB LYS 64 0.454 11.298 1.430 518 1HG LYS 64 2HG LYS 64 2.832 11.949 1.650 519 2HG LYS 64 1HG LYS 64 3.032 11.648 -0.077 520 1HD LYS 64 2HD LYS 64 1.378 13.356 -0.585 521 2HD LYS 64 1HD LYS 64 1.108 13.628 1.139 522 1HE LYS 64 2HE LYS 64 3.505 14.256 1.348 523 2HE LYS 64 1HE LYS 64 3.650 14.126 -0.403 524 1HZ LYS 64 1HZ LYS 64 1.888 16.002 1.077 525 2HZ LYS 64 2HZ LYS 64 1.950 15.862 -0.611 526 3HZ LYS 64 3HZ LYS 64 3.311 16.405 0.248 527 H ASP 65 H ASP 65 0.611 8.173 -0.674 528 HA ASP 65 HA ASP 65 -1.794 7.395 0.673 529 1HB ASP 65 2HB ASP 65 -1.618 7.725 -1.798 530 2HB ASP 65 1HB ASP 65 -0.575 6.311 -1.880 531 H LEU 66 H LEU 66 1.297 5.918 -0.093 532 HA LEU 66 HA LEU 66 0.791 3.356 0.950 533 1HB LEU 66 2HB LEU 66 2.747 3.957 -0.437 534 2HB LEU 66 1HB LEU 66 3.392 4.882 0.902 535 HG LEU 66 HG LEU 66 3.425 2.743 2.237 536 1HD1 LEU 66 1HD1 LEU 66 1.822 1.493 0.910 537 2HD1 LEU 66 2HD1 LEU 66 3.369 0.648 0.979 538 3HD1 LEU 66 3HD1 LEU 66 2.913 1.536 -0.475 539 1HD2 LEU 66 1HD2 LEU 66 5.450 3.672 1.291 540 2HD2 LEU 66 2HD2 LEU 66 5.109 2.903 -0.259 541 3HD2 LEU 66 3HD2 LEU 66 5.474 1.914 1.155 542 H ALA 67 H ALA 67 1.589 6.386 2.441 543 HA ALA 67 HA ALA 67 2.448 5.393 4.945 544 1HB ALA 67 1HB ALA 67 2.965 7.651 4.147 545 2HB ALA 67 2HB ALA 67 2.210 7.670 5.740 546 3HB ALA 67 3HB ALA 67 1.265 8.089 4.310 547 H LEU 68 H LEU 68 -0.622 5.453 3.532 548 HA LEU 68 HA LEU 68 -2.030 5.477 6.091 549 1HB LEU 68 2HB LEU 68 -3.069 5.019 3.294 550 2HB LEU 68 1HB LEU 68 -4.047 5.249 4.729 551 HG LEU 68 HG LEU 68 -2.179 7.339 3.609 552 1HD1 LEU 68 1HD1 LEU 68 -5.166 7.060 3.327 553 2HD1 LEU 68 2HD1 LEU 68 -3.976 6.884 2.037 554 3HD1 LEU 68 3HD1 LEU 68 -4.211 8.451 2.814 555 1HD2 LEU 68 1HD2 LEU 68 -4.345 7.486 5.704 556 2HD2 LEU 68 2HD2 LEU 68 -3.400 8.847 5.098 557 3HD2 LEU 68 3HD2 LEU 68 -2.608 7.556 6.003 558 H LEU 69 H LEU 69 -0.292 3.290 4.343 559 HA LEU 69 HA LEU 69 -1.890 1.018 5.330 560 1HB LEU 69 2HB LEU 69 -0.104 1.159 2.896 561 2HB LEU 69 1HB LEU 69 -0.871 -0.301 3.488 562 HG LEU 69 HG LEU 69 -2.349 2.135 2.487 563 1HD1 LEU 69 1HD1 LEU 69 -2.864 0.765 0.531 564 2HD1 LEU 69 2HD1 LEU 69 -1.830 -0.520 1.155 565 3HD1 LEU 69 3HD1 LEU 69 -1.128 1.032 0.692 566 1HD2 LEU 69 1HD2 LEU 69 -3.342 -0.628 3.196 567 2HD2 LEU 69 2HD2 LEU 69 -4.312 0.694 2.548 568 3HD2 LEU 69 3HD2 LEU 69 -3.595 0.833 4.152 569 H THR 70 H THR 70 -0.763 -0.740 6.200 570 HA THR 70 HA THR 70 2.107 -0.296 6.712 571 HB THR 70 HB THR 70 0.297 -2.148 8.247 572 HG1 THR 70 1HG THR 70 -0.385 -0.444 9.302 573 1HG2 THR 70 1HG2 THR 70 3.027 -1.014 8.860 574 2HG2 THR 70 2HG2 THR 70 2.672 -2.678 8.397 575 3HG2 THR 70 3HG2 THR 70 2.085 -2.048 9.936 576 H LEU 71 H LEU 71 3.458 -1.588 5.638 577 HA LEU 71 HA LEU 71 2.313 -3.922 4.261 578 1HB LEU 71 2HB LEU 71 4.827 -2.365 3.662 579 2HB LEU 71 1HB LEU 71 4.274 -3.763 2.761 580 HG LEU 71 HG LEU 71 2.956 -1.059 2.919 581 1HD1 LEU 71 1HD1 LEU 71 4.204 -2.580 0.636 582 2HD1 LEU 71 2HD1 LEU 71 4.886 -1.173 1.455 583 3HD1 LEU 71 3HD1 LEU 71 3.399 -1.014 0.520 584 1HD2 LEU 71 1HD2 LEU 71 1.293 -1.950 1.363 585 2HD2 LEU 71 2HD2 LEU 71 1.239 -2.776 2.919 586 3HD2 LEU 71 3HD2 LEU 71 1.996 -3.558 1.532 587 H VAL 72 H VAL 72 3.252 -5.893 4.328 588 HA VAL 72 HA VAL 72 5.662 -6.229 5.979 589 HB VAL 72 HB VAL 72 4.751 -8.479 6.677 590 1HG1 VAL 72 1HG1 VAL 72 3.245 -6.043 7.624 591 2HG1 VAL 72 2HG1 VAL 72 4.808 -6.597 8.223 592 3HG1 VAL 72 3HG1 VAL 72 3.365 -7.577 8.488 593 1HG2 VAL 72 1HG2 VAL 72 2.159 -7.312 5.667 594 2HG2 VAL 72 2HG2 VAL 72 2.311 -8.777 6.637 595 3HG2 VAL 72 3HG2 VAL 72 2.998 -8.720 5.013 596 HA PRO 73 HA PRO 73 6.860 -8.015 2.068 597 1HB PRO 73 2HB PRO 73 9.406 -8.624 3.352 598 2HB PRO 73 1HB PRO 73 9.066 -7.487 2.047 599 1HG PRO 73 2HG PRO 73 9.773 -6.706 4.553 600 2HG PRO 73 1HG PRO 73 8.747 -5.733 3.485 601 1HD PRO 73 2HD PRO 73 7.978 -7.467 5.794 602 2HD PRO 73 1HD PRO 73 7.317 -5.896 5.291 603 H LEU 74 H LEU 74 7.496 -10.106 1.271 604 HA LEU 74 HA LEU 74 6.626 -12.357 2.659 605 1HB LEU 74 2HB LEU 74 8.682 -12.145 0.458 606 2HB LEU 74 1HB LEU 74 7.962 -13.642 1.005 607 HG LEU 74 HG LEU 74 6.500 -11.353 -0.300 608 1HD1 LEU 74 1HD1 LEU 74 6.189 -12.941 -2.144 609 2HD1 LEU 74 2HD1 LEU 74 7.206 -14.109 -1.299 610 3HD1 LEU 74 3HD1 LEU 74 7.891 -12.582 -1.858 611 1HD2 LEU 74 1HD2 LEU 74 4.574 -12.879 -0.317 612 2HD2 LEU 74 2HD2 LEU 74 5.079 -12.465 1.321 613 3HD2 LEU 74 3HD2 LEU 74 5.496 -14.037 0.641 614 H ASP 75 H ASP 75 9.902 -11.109 2.198 615 HA ASP 75 HA ASP 75 10.646 -12.203 4.800 616 1HB ASP 75 2HB ASP 75 12.039 -12.727 2.195 617 2HB ASP 75 1HB ASP 75 12.975 -12.643 3.683 Start of MODEL 2 1 HA MET 1 HA MET 1 16.552 3.437 -17.146 2 1HB MET 1 2HB MET 1 18.840 3.103 -18.069 3 2HB MET 1 1HB MET 1 17.771 3.991 -19.145 4 1HG MET 1 2HG MET 1 18.819 6.088 -18.461 5 2HG MET 1 1HG MET 1 19.894 5.199 -17.384 6 1HE MET 1 1HE MET 1 20.859 7.272 -19.591 7 2HE MET 1 2HE MET 1 22.231 6.427 -20.306 8 3HE MET 1 3HE MET 1 21.995 6.403 -18.559 9 H SER 2 H SER 2 16.780 2.558 -15.250 10 HA SER 2 HA SER 2 19.180 2.873 -13.712 11 1HB SER 2 2HB SER 2 16.553 3.785 -12.488 12 2HB SER 2 1HB SER 2 18.072 3.588 -11.616 13 HG SER 2 HG SER 2 18.572 5.121 -13.707 14 H ALA 3 H ALA 3 15.787 1.898 -13.383 15 HA ALA 3 HA ALA 3 14.768 -0.015 -12.736 16 1HB ALA 3 1HB ALA 3 15.520 -0.611 -14.971 17 2HB ALA 3 2HB ALA 3 15.476 -2.018 -13.908 18 3HB ALA 3 3HB ALA 3 17.018 -1.255 -14.299 19 H LEU 4 H LEU 4 15.077 0.087 -10.488 20 HA LEU 4 HA LEU 4 17.276 -1.176 -9.193 21 1HB LEU 4 2HB LEU 4 14.520 -0.396 -8.250 22 2HB LEU 4 1HB LEU 4 15.656 -1.222 -7.205 23 HG LEU 4 HG LEU 4 15.767 1.091 -6.676 24 1HD1 LEU 4 1HD1 LEU 4 18.099 1.647 -7.208 25 2HD1 LEU 4 2HD1 LEU 4 18.122 0.348 -8.400 26 3HD1 LEU 4 3HD1 LEU 4 17.909 -0.028 -6.690 27 1HD2 LEU 4 1HD2 LEU 4 16.289 2.823 -8.342 28 2HD2 LEU 4 2HD2 LEU 4 14.753 2.023 -8.674 29 3HD2 LEU 4 3HD2 LEU 4 16.185 1.611 -9.618 30 H GLN 5 H GLN 5 14.324 -2.231 -10.592 31 HA GLN 5 HA GLN 5 13.573 -4.271 -11.208 32 1HB GLN 5 2HB GLN 5 16.146 -5.283 -9.993 33 2HB GLN 5 1HB GLN 5 15.008 -6.277 -10.892 34 1HG GLN 5 2HG GLN 5 15.346 -4.835 -12.861 35 2HG GLN 5 1HG GLN 5 16.550 -3.921 -11.955 36 1HE2 GLN 5 1HE2 GLN 5 18.556 -4.846 -11.535 37 2HE2 GLN 5 2HE2 GLN 5 19.095 -6.284 -12.338 38 HA PRO 6 HA PRO 6 11.221 -5.690 -7.753 39 1HB PRO 6 2HB PRO 6 10.544 -8.184 -8.673 40 2HB PRO 6 1HB PRO 6 9.739 -6.694 -9.173 41 1HG PRO 6 2HG PRO 6 11.867 -8.260 -10.569 42 2HG PRO 6 1HG PRO 6 10.434 -7.463 -11.245 43 1HD PRO 6 2HD PRO 6 12.888 -6.375 -11.424 44 2HD PRO 6 1HD PRO 6 11.432 -5.378 -11.225 45 H SER 7 H SER 7 12.428 -6.074 -5.997 46 HA SER 7 HA SER 7 14.174 -8.420 -5.934 47 1HB SER 7 2HB SER 7 15.064 -6.195 -5.207 48 2HB SER 7 1HB SER 7 13.895 -6.205 -3.887 49 HG SER 7 HG SER 7 16.168 -7.814 -4.282 50 H ARG 8 H ARG 8 11.589 -6.879 -4.017 51 HA ARG 8 HA ARG 8 10.692 -9.523 -3.218 52 1HB ARG 8 2HB ARG 8 10.468 -8.838 -0.867 53 2HB ARG 8 1HB ARG 8 12.144 -8.878 -1.379 54 1HG ARG 8 2HG ARG 8 10.624 -6.307 -1.448 55 2HG ARG 8 1HG ARG 8 11.254 -6.921 0.081 56 1HD ARG 8 2HD ARG 8 13.494 -6.906 -0.768 57 2HD ARG 8 1HD ARG 8 12.930 -6.519 -2.392 58 HE ARG 8 HE ARG 8 12.021 -4.449 -0.874 59 1HH1 ARG 8 1HH1 ARG 8 15.185 -5.926 -1.221 60 2HH1 ARG 8 2HH1 ARG 8 16.041 -4.418 -1.077 61 1HH2 ARG 8 1HH2 ARG 8 13.144 -2.467 -0.706 62 2HH2 ARG 8 2HH2 ARG 8 14.884 -2.452 -0.796 63 H SER 9 H SER 9 8.512 -9.534 -2.421 64 HA SER 9 HA SER 9 6.945 -7.211 -3.318 65 1HB SER 9 2HB SER 9 5.982 -10.031 -2.771 66 2HB SER 9 1HB SER 9 5.078 -8.730 -3.551 67 HG SER 9 HG SER 9 7.495 -9.243 -4.732 68 H TYR 10 H TYR 10 4.928 -6.805 -1.942 69 HA TYR 10 HA TYR 10 5.589 -7.250 0.898 70 1HB TYR 10 2HB TYR 10 4.632 -4.651 -0.329 71 2HB TYR 10 1HB TYR 10 4.861 -4.942 1.392 72 HD1 TYR 10 1HD TYR 10 6.458 -4.076 -1.728 73 HD2 TYR 10 2HD TYR 10 7.170 -5.349 2.264 74 HE1 TYR 10 1HE TYR 10 8.802 -3.372 -1.927 75 HE2 TYR 10 2HE TYR 10 9.520 -4.650 2.072 76 HH TYR 10 HH TYR 10 10.665 -2.665 -0.372 77 H ARG 11 H ARG 11 3.946 -7.912 2.129 78 HA ARG 11 HA ARG 11 1.269 -8.071 0.969 79 1HB ARG 11 2HB ARG 11 2.321 -9.092 3.612 80 2HB ARG 11 1HB ARG 11 0.727 -9.413 2.961 81 1HG ARG 11 2HG ARG 11 1.641 -10.718 1.180 82 2HG ARG 11 1HG ARG 11 3.287 -10.267 1.629 83 1HD ARG 11 2HD ARG 11 2.673 -12.536 2.388 84 2HD ARG 11 1HD ARG 11 3.087 -11.459 3.720 85 HE ARG 11 HE ARG 11 0.548 -11.177 3.902 86 1HH1 ARG 11 1HH1 ARG 11 2.167 -14.137 2.943 87 2HH1 ARG 11 2HH1 ARG 11 0.865 -15.158 3.483 88 1HH2 ARG 11 1HH2 ARG 11 -1.146 -12.535 4.626 89 2HH2 ARG 11 2HH2 ARG 11 -0.999 -14.258 4.442 90 H ILE 12 H ILE 12 -0.561 -7.189 2.023 91 HA ILE 12 HA ILE 12 0.069 -4.913 3.777 92 HB ILE 12 HB ILE 12 -2.564 -5.462 2.392 93 1HG1 ILE 12 2HG1 ILE 12 -0.301 -3.662 1.492 94 2HG1 ILE 12 1HG1 ILE 12 -0.770 -5.176 0.720 95 1HG2 ILE 12 1HG2 ILE 12 -1.430 -2.968 3.656 96 2HG2 ILE 12 2HG2 ILE 12 -2.702 -3.990 4.324 97 3HG2 ILE 12 3HG2 ILE 12 -2.987 -3.089 2.835 98 1HD1 ILE 12 1HD1 ILE 12 -1.607 -3.232 -0.492 99 2HD1 ILE 12 2HD1 ILE 12 -2.496 -2.716 0.943 100 3HD1 ILE 12 3HD1 ILE 12 -2.924 -4.223 0.133 101 H THR 13 H THR 13 -0.212 -5.255 5.891 102 HA THR 13 HA THR 13 -1.941 -7.406 6.802 103 HB THR 13 HB THR 13 -1.142 -6.508 9.110 104 HG1 THR 13 1HG THR 13 1.181 -5.613 8.093 105 1HG2 THR 13 1HG2 THR 13 0.822 -7.738 7.174 106 2HG2 THR 13 2HG2 THR 13 -0.393 -8.613 8.106 107 3HG2 THR 13 3HG2 THR 13 0.929 -7.790 8.934 108 H GLY 14 H GLY 14 -1.995 -3.980 6.449 109 1HA GLY 14 2HA GLY 14 -4.681 -3.616 6.757 110 2HA GLY 14 1HA GLY 14 -4.044 -3.479 8.392 111 H TYR 15 H TYR 15 -4.657 -1.300 8.496 112 HA TYR 15 HA TYR 15 -3.145 0.505 6.719 113 1HB TYR 15 2HB TYR 15 -5.704 1.110 8.216 114 2HB TYR 15 1HB TYR 15 -4.893 2.156 7.059 115 HD1 TYR 15 1HD TYR 15 -5.254 1.910 4.726 116 HD2 TYR 15 2HD TYR 15 -6.805 -0.984 7.426 117 HE1 TYR 15 1HE TYR 15 -6.596 0.945 2.908 118 HE2 TYR 15 2HE TYR 15 -8.151 -1.964 5.617 119 HH TYR 15 HH TYR 15 -7.690 -1.108 2.314 120 H SER 16 H SER 16 -2.237 2.389 7.664 121 HA SER 16 HA SER 16 -1.165 2.023 10.261 122 1HB SER 16 2HB SER 16 -1.204 4.497 8.518 123 2HB SER 16 1HB SER 16 -0.116 4.179 9.859 124 HG SER 16 HG SER 16 0.558 3.709 7.544 125 HA PRO 17 HA PRO 17 -4.421 3.771 12.744 126 1HB PRO 17 2HB PRO 17 -2.244 4.725 14.506 127 2HB PRO 17 1HB PRO 17 -3.597 3.650 14.873 128 1HG PRO 17 2HG PRO 17 -1.104 2.708 14.653 129 2HG PRO 17 1HG PRO 17 -2.495 1.775 14.072 130 1HD PRO 17 2HD PRO 17 -0.513 3.392 12.522 131 2HD PRO 17 1HD PRO 17 -1.243 1.822 12.127 132 H ALA 18 H ALA 18 -1.720 5.601 11.594 133 HA ALA 18 HA ALA 18 -2.938 8.158 12.305 134 1HB ALA 18 1HB ALA 18 -0.850 9.145 11.509 135 2HB ALA 18 2HB ALA 18 -0.295 7.558 10.976 136 3HB ALA 18 3HB ALA 18 -0.540 7.875 12.693 137 H ILE 19 H ILE 19 -4.127 6.349 10.326 138 HA ILE 19 HA ILE 19 -3.690 7.469 7.732 139 HB ILE 19 HB ILE 19 -4.498 5.144 8.100 140 1HG1 ILE 19 2HG1 ILE 19 -6.459 6.787 6.493 141 2HG1 ILE 19 1HG1 ILE 19 -4.839 6.363 5.942 142 1HG2 ILE 19 1HG2 ILE 19 -6.858 4.753 8.623 143 2HG2 ILE 19 2HG2 ILE 19 -7.076 6.480 8.900 144 3HG2 ILE 19 3HG2 ILE 19 -6.011 5.547 9.952 145 1HD1 ILE 19 1HD1 ILE 19 -6.580 4.903 5.016 146 2HD1 ILE 19 2HD1 ILE 19 -6.998 4.386 6.651 147 3HD1 ILE 19 3HD1 ILE 19 -5.405 4.018 5.987 148 H SER 20 H SER 20 -5.200 8.763 6.515 149 HA SER 20 HA SER 20 -6.313 10.839 8.210 150 1HB SER 20 2HB SER 20 -6.077 10.828 5.198 151 2HB SER 20 1HB SER 20 -6.282 12.226 6.256 152 HG SER 20 HG SER 20 -4.194 11.462 7.215 153 H ASN 21 H ASN 21 -8.351 10.682 8.816 154 HA ASN 21 HA ASN 21 -10.640 10.284 8.704 155 1HB ASN 21 2HB ASN 21 -10.156 12.646 8.355 156 2HB ASN 21 1HB ASN 21 -10.095 12.387 6.615 157 1HD2 ASN 21 1HD2 ASN 21 -12.158 12.396 9.431 158 2HD2 ASN 21 2HD2 ASN 21 -13.649 12.645 8.581 159 H GLY 22 H GLY 22 -10.931 8.162 7.912 160 1HA GLY 22 2HA GLY 22 -12.236 6.747 6.679 161 2HA GLY 22 1HA GLY 22 -12.823 8.145 5.805 162 H TYR 23 H TYR 23 -9.446 7.908 5.562 163 HA TYR 23 HA TYR 23 -9.587 7.379 2.801 164 1HB TYR 23 2HB TYR 23 -7.505 7.986 4.724 165 2HB TYR 23 1HB TYR 23 -6.971 6.807 3.529 166 HD1 TYR 23 1HD TYR 23 -6.328 7.504 1.388 167 HD2 TYR 23 2HD TYR 23 -8.583 10.148 3.846 168 HE1 TYR 23 1HE TYR 23 -5.999 9.302 -0.257 169 HE2 TYR 23 2HE TYR 23 -8.258 11.956 2.211 170 HH TYR 23 HH TYR 23 -6.855 12.593 0.414 171 H ARG 24 H ARG 24 -9.335 5.265 5.546 172 HA ARG 24 HA ARG 24 -8.383 2.941 4.356 173 1HB ARG 24 2HB ARG 24 -8.878 3.096 6.750 174 2HB ARG 24 1HB ARG 24 -10.591 3.271 6.406 175 1HG ARG 24 2HG ARG 24 -10.432 0.999 5.282 176 2HG ARG 24 1HG ARG 24 -8.857 0.859 6.058 177 1HD ARG 24 2HD ARG 24 -11.443 1.375 7.520 178 2HD ARG 24 1HD ARG 24 -10.711 -0.216 7.323 179 HE ARG 24 HE ARG 24 -8.712 1.113 8.469 180 1HH1 ARG 24 1HH1 ARG 24 -12.125 0.992 9.261 181 2HH1 ARG 24 2HH1 ARG 24 -11.871 1.277 10.955 182 1HH2 ARG 24 1HH2 ARG 24 -8.370 1.457 10.690 183 2HH2 ARG 24 2HH2 ARG 24 -9.734 1.555 11.772 184 H GLN 25 H GLN 25 -11.639 4.282 4.448 185 HA GLN 25 HA GLN 25 -12.904 2.173 3.097 186 1HB GLN 25 2HB GLN 25 -13.662 5.066 3.451 187 2HB GLN 25 1HB GLN 25 -14.725 3.851 2.786 188 1HG GLN 25 2HG GLN 25 -14.592 2.595 4.889 189 2HG GLN 25 1HG GLN 25 -13.565 3.862 5.556 190 1HE2 GLN 25 1HE2 GLN 25 -15.078 5.978 4.196 191 2HE2 GLN 25 2HE2 GLN 25 -16.558 6.142 5.071 192 H ARG 26 H ARG 26 -11.315 5.087 2.018 193 HA ARG 26 HA ARG 26 -12.136 4.865 -0.707 194 1HB ARG 26 2HB ARG 26 -11.352 6.972 0.426 195 2HB ARG 26 1HB ARG 26 -9.726 6.313 0.389 196 1HG ARG 26 2HG ARG 26 -9.636 6.388 -1.965 197 2HG ARG 26 1HG ARG 26 -11.371 6.692 -2.094 198 1HD ARG 26 2HD ARG 26 -9.307 8.559 -0.925 199 2HD ARG 26 1HD ARG 26 -10.112 8.737 -2.486 200 HE ARG 26 HE ARG 26 -12.125 8.579 -0.596 201 1HH1 ARG 26 1HH1 ARG 26 -9.455 10.738 -1.346 202 2HH1 ARG 26 2HH1 ARG 26 -10.210 12.120 -0.618 203 1HH2 ARG 26 1HH2 ARG 26 -13.113 10.408 0.353 204 2HH2 ARG 26 2HH2 ARG 26 -12.278 11.939 0.340 205 H LEU 27 H LEU 27 -9.356 3.844 1.175 206 HA LEU 27 HA LEU 27 -7.794 2.958 -1.040 207 1HB LEU 27 2HB LEU 27 -7.682 2.275 1.900 208 2HB LEU 27 1HB LEU 27 -6.503 1.716 0.737 209 HG LEU 27 HG LEU 27 -7.042 4.615 1.389 210 1HD1 LEU 27 1HD1 LEU 27 -6.022 3.426 3.263 211 2HD1 LEU 27 2HD1 LEU 27 -4.891 4.562 2.527 212 3HD1 LEU 27 3HD1 LEU 27 -4.749 2.835 2.196 213 1HD2 LEU 27 1HD2 LEU 27 -4.880 3.335 -0.278 214 2HD2 LEU 27 2HD2 LEU 27 -5.022 5.053 0.098 215 3HD2 LEU 27 3HD2 LEU 27 -6.247 4.263 -0.896 216 H PHE 28 H PHE 28 -9.960 1.360 1.230 217 HA PHE 28 HA PHE 28 -9.638 -1.283 0.355 218 1HB PHE 28 2HB PHE 28 -10.869 -0.328 2.419 219 2HB PHE 28 1HB PHE 28 -12.251 -0.159 1.349 220 HD1 PHE 28 1HD PHE 28 -13.253 -2.199 0.311 221 HD2 PHE 28 2HD PHE 28 -10.260 -2.420 3.326 222 HE1 PHE 28 1HE PHE 28 -13.858 -4.546 0.738 223 HE2 PHE 28 2HE PHE 28 -10.863 -4.764 3.759 224 HZ PHE 28 HZ PHE 28 -12.661 -5.833 2.461 225 H SER 29 H SER 29 -11.829 1.275 -0.675 226 HA SER 29 HA SER 29 -13.311 -0.270 -2.529 227 1HB SER 29 2HB SER 29 -12.854 2.717 -2.358 228 2HB SER 29 1HB SER 29 -14.041 1.947 -3.404 229 HG SER 29 HG SER 29 -13.992 2.166 -0.596 230 H MET 30 H MET 30 -10.306 1.499 -2.734 231 HA MET 30 HA MET 30 -10.173 1.387 -5.609 232 1HB MET 30 2HB MET 30 -8.251 2.259 -3.469 233 2HB MET 30 1HB MET 30 -7.727 2.094 -5.135 234 1HG MET 30 2HG MET 30 -9.533 3.676 -5.792 235 2HG MET 30 1HG MET 30 -9.872 3.914 -4.079 236 1HE MET 30 1HE MET 30 -6.982 3.865 -2.774 237 2HE MET 30 2HE MET 30 -8.217 5.063 -2.384 238 3HE MET 30 3HE MET 30 -6.587 5.585 -2.796 239 H GLY 31 H GLY 31 -9.118 -0.613 -2.961 240 1HA GLY 31 2HA GLY 31 -8.938 -2.997 -3.698 241 2HA GLY 31 1HA GLY 31 -7.851 -2.401 -4.942 242 H LEU 32 H LEU 32 -7.336 -0.632 -2.171 243 HA LEU 32 HA LEU 32 -4.974 -2.249 -1.536 244 1HB LEU 32 2HB LEU 32 -5.680 0.576 -0.718 245 2HB LEU 32 1HB LEU 32 -4.183 -0.252 -0.330 246 HG LEU 32 HG LEU 32 -5.113 0.471 -3.113 247 1HD1 LEU 32 1HD1 LEU 32 -2.972 1.663 -1.356 248 2HD1 LEU 32 2HD1 LEU 32 -4.470 2.440 -1.871 249 3HD1 LEU 32 3HD1 LEU 32 -3.223 2.052 -3.057 250 1HD2 LEU 32 1HD2 LEU 32 -2.894 -0.256 -3.823 251 2HD2 LEU 32 2HD2 LEU 32 -3.778 -1.582 -3.068 252 3HD2 LEU 32 3HD2 LEU 32 -2.513 -0.742 -2.170 253 H LEU 33 H LEU 33 -5.723 -3.837 -0.212 254 HA LEU 33 HA LEU 33 -6.916 -3.004 2.319 255 1HB LEU 33 2HB LEU 33 -8.509 -4.987 2.056 256 2HB LEU 33 1HB LEU 33 -8.863 -3.523 1.162 257 HG LEU 33 HG LEU 33 -7.634 -4.699 -0.798 258 1HD1 LEU 33 1HD1 LEU 33 -6.718 -6.559 0.455 259 2HD1 LEU 33 2HD1 LEU 33 -7.835 -7.134 -0.784 260 3HD1 LEU 33 3HD1 LEU 33 -8.342 -7.079 0.905 261 1HD2 LEU 33 1HD2 LEU 33 -9.721 -5.761 -1.497 262 2HD2 LEU 33 2HD2 LEU 33 -9.998 -4.167 -0.792 263 3HD2 LEU 33 3HD2 LEU 33 -10.339 -5.620 0.150 264 HA PRO 34 HA PRO 34 -4.336 -5.988 4.301 265 1HB PRO 34 2HB PRO 34 -6.146 -7.224 5.988 266 2HB PRO 34 1HB PRO 34 -5.328 -5.698 6.330 267 1HG PRO 34 2HG PRO 34 -8.080 -6.183 5.275 268 2HG PRO 34 1HG PRO 34 -7.524 -4.970 6.442 269 1HD PRO 34 2HD PRO 34 -8.040 -4.333 3.888 270 2HD PRO 34 1HD PRO 34 -6.708 -3.571 4.785 271 H GLY 35 H GLY 35 -3.591 -7.776 3.379 272 1HA GLY 35 2HA GLY 35 -3.896 -10.182 3.039 273 2HA GLY 35 1HA GLY 35 -5.531 -9.824 2.498 274 H ALA 36 H ALA 36 -4.320 -7.386 1.097 275 HA ALA 36 HA ALA 36 -3.845 -8.740 -1.407 276 1HB ALA 36 1HB ALA 36 -5.302 -6.787 -1.364 277 2HB ALA 36 2HB ALA 36 -3.892 -6.494 -2.385 278 3HB ALA 36 3HB ALA 36 -3.970 -5.797 -0.767 279 H ALA 37 H ALA 37 -1.887 -9.546 -1.652 280 HA ALA 37 HA ALA 37 0.449 -8.105 -0.712 281 1HB ALA 37 1HB ALA 37 1.715 -10.047 -1.410 282 2HB ALA 37 2HB ALA 37 0.283 -10.727 -2.185 283 3HB ALA 37 3HB ALA 37 0.331 -10.534 -0.432 284 H LEU 38 H LEU 38 1.379 -6.603 -1.903 285 HA LEU 38 HA LEU 38 0.841 -6.501 -4.781 286 1HB LEU 38 2HB LEU 38 2.192 -4.466 -3.015 287 2HB LEU 38 1HB LEU 38 1.685 -4.229 -4.674 288 HG LEU 38 HG LEU 38 -0.177 -4.707 -2.342 289 1HD1 LEU 38 1HD1 LEU 38 0.442 -2.193 -3.888 290 2HD1 LEU 38 2HD1 LEU 38 0.907 -2.530 -2.221 291 3HD1 LEU 38 3HD1 LEU 38 -0.797 -2.363 -2.643 292 1HD2 LEU 38 1HD2 LEU 38 -0.753 -4.007 -5.221 293 2HD2 LEU 38 2HD2 LEU 38 -1.943 -4.140 -3.927 294 3HD2 LEU 38 3HD2 LEU 38 -1.054 -5.568 -4.455 295 H ARG 39 H ARG 39 2.334 -6.806 -6.264 296 HA ARG 39 HA ARG 39 5.009 -7.626 -5.379 297 1HB ARG 39 2HB ARG 39 3.680 -9.170 -6.812 298 2HB ARG 39 1HB ARG 39 3.664 -7.951 -8.077 299 1HG ARG 39 2HG ARG 39 6.087 -8.084 -8.258 300 2HG ARG 39 1HG ARG 39 6.122 -9.282 -6.963 301 1HD ARG 39 2HD ARG 39 4.642 -10.725 -8.375 302 2HD ARG 39 1HD ARG 39 4.860 -9.562 -9.683 303 HE ARG 39 HE ARG 39 7.386 -10.141 -9.101 304 1HH1 ARG 39 1HH1 ARG 39 4.609 -12.229 -9.549 305 2HH1 ARG 39 2HH1 ARG 39 5.561 -13.588 -10.089 306 1HH2 ARG 39 1HH2 ARG 39 8.639 -11.911 -9.794 307 2HH2 ARG 39 2HH2 ARG 39 7.856 -13.410 -10.214 308 H VAL 40 H VAL 40 6.534 -6.132 -5.452 309 HA VAL 40 HA VAL 40 6.250 -3.609 -6.685 310 HB VAL 40 HB VAL 40 8.766 -4.983 -5.717 311 1HG1 VAL 40 1HG1 VAL 40 9.716 -2.744 -5.584 312 2HG1 VAL 40 2HG1 VAL 40 8.241 -2.062 -6.267 313 3HG1 VAL 40 3HG1 VAL 40 9.252 -3.132 -7.239 314 1HG2 VAL 40 1HG2 VAL 40 6.935 -3.035 -4.322 315 2HG2 VAL 40 2HG2 VAL 40 8.437 -3.698 -3.678 316 3HG2 VAL 40 3HG2 VAL 40 7.064 -4.760 -3.983 317 H VAL 41 H VAL 41 6.338 -3.146 -8.755 318 HA VAL 41 HA VAL 41 8.010 -4.776 -10.526 319 HB VAL 41 HB VAL 41 6.064 -2.567 -11.229 320 1HG1 VAL 41 1HG1 VAL 41 7.451 -4.596 -12.981 321 2HG1 VAL 41 2HG1 VAL 41 7.793 -2.866 -12.918 322 3HG1 VAL 41 3HG1 VAL 41 6.233 -3.435 -13.511 323 1HG2 VAL 41 1HG2 VAL 41 4.577 -4.379 -11.969 324 2HG2 VAL 41 2HG2 VAL 41 4.901 -4.451 -10.237 325 3HG2 VAL 41 3HG2 VAL 41 5.720 -5.562 -11.335 326 H ARG 42 H ARG 42 7.480 -1.323 -9.699 327 HA ARG 42 HA ARG 42 10.271 -0.776 -10.368 328 1HB ARG 42 2HB ARG 42 7.953 0.469 -11.842 329 2HB ARG 42 1HB ARG 42 9.570 1.154 -11.845 330 1HG ARG 42 2HG ARG 42 10.447 -0.801 -12.937 331 2HG ARG 42 1HG ARG 42 8.886 -1.614 -12.807 332 1HD ARG 42 2HD ARG 42 9.210 -0.739 -15.051 333 2HD ARG 42 1HD ARG 42 7.880 0.087 -14.243 334 HE ARG 42 HE ARG 42 9.791 1.809 -13.748 335 1HH1 ARG 42 1HH1 ARG 42 9.236 0.014 -16.708 336 2HH1 ARG 42 2HH1 ARG 42 9.912 1.252 -17.731 337 1HH2 ARG 42 1HH2 ARG 42 10.688 3.426 -15.077 338 2HH2 ARG 42 2HH2 ARG 42 10.748 3.189 -16.804 339 H ILE 43 H ILE 43 11.148 0.840 -9.202 340 HA ILE 43 HA ILE 43 9.349 2.833 -7.960 341 HB ILE 43 HB ILE 43 12.097 1.982 -6.972 342 1HG1 ILE 43 2HG1 ILE 43 10.580 1.416 -4.881 343 2HG1 ILE 43 1HG1 ILE 43 9.327 1.255 -6.107 344 1HG2 ILE 43 1HG2 ILE 43 11.613 3.447 -5.038 345 2HG2 ILE 43 2HG2 ILE 43 10.144 3.988 -5.847 346 3HG2 ILE 43 3HG2 ILE 43 11.719 4.335 -6.558 347 1HD1 ILE 43 1HD1 ILE 43 10.683 -0.418 -7.262 348 2HD1 ILE 43 2HD1 ILE 43 10.343 -0.888 -5.596 349 3HD1 ILE 43 3HD1 ILE 43 11.931 -0.252 -6.027 350 H ALA 44 H ALA 44 9.895 4.992 -8.378 351 HA ALA 44 HA ALA 44 11.792 5.506 -10.488 352 1HB ALA 44 1HB ALA 44 9.647 6.729 -10.325 353 2HB ALA 44 2HB ALA 44 11.052 7.793 -10.394 354 3HB ALA 44 3HB ALA 44 10.236 7.508 -8.854 355 HA PRO 45 HA PRO 45 15.339 6.123 -7.909 356 1HB PRO 45 2HB PRO 45 16.820 7.640 -9.641 357 2HB PRO 45 1HB PRO 45 16.642 5.888 -9.772 358 1HG PRO 45 2HG PRO 45 15.195 8.055 -11.241 359 2HG PRO 45 1HG PRO 45 15.847 6.528 -11.860 360 1HD PRO 45 2HD PRO 45 13.228 6.853 -11.339 361 2HD PRO 45 1HD PRO 45 14.051 5.301 -11.074 362 H LEU 46 H LEU 46 13.290 8.631 -8.908 363 HA LEU 46 HA LEU 46 14.545 10.925 -7.906 364 1HB LEU 46 2HB LEU 46 11.718 10.077 -8.326 365 2HB LEU 46 1HB LEU 46 12.009 11.512 -7.366 366 HG LEU 46 HG LEU 46 11.578 12.206 -9.615 367 1HD1 LEU 46 1HD1 LEU 46 14.539 12.332 -9.081 368 2HD1 LEU 46 2HD1 LEU 46 13.320 13.443 -8.455 369 3HD1 LEU 46 3HD1 LEU 46 13.645 13.373 -10.188 370 1HD2 LEU 46 1HD2 LEU 46 12.046 10.089 -10.741 371 2HD2 LEU 46 2HD2 LEU 46 13.773 10.324 -10.473 372 3HD2 LEU 46 3HD2 LEU 46 12.886 11.428 -11.523 373 H GLY 47 H GLY 47 12.745 8.397 -6.364 374 1HA GLY 47 2HA GLY 47 13.732 8.720 -3.797 375 2HA GLY 47 1HA GLY 47 12.261 9.680 -3.905 376 H ASP 48 H ASP 48 10.305 8.628 -4.645 377 HA ASP 48 HA ASP 48 10.152 5.875 -5.138 378 1HB ASP 48 2HB ASP 48 10.832 5.696 -2.804 379 2HB ASP 48 1HB ASP 48 9.485 6.703 -2.312 380 HA PRO 49 HA PRO 49 5.870 6.015 -5.277 381 1HB PRO 49 2HB PRO 49 5.599 5.585 -7.960 382 2HB PRO 49 1HB PRO 49 5.482 7.183 -7.228 383 1HG PRO 49 2HG PRO 49 7.496 6.211 -9.026 384 2HG PRO 49 1HG PRO 49 7.398 7.812 -8.276 385 1HD PRO 49 2HD PRO 49 8.958 5.415 -7.430 386 2HD PRO 49 1HD PRO 49 9.314 7.142 -7.186 387 H ILE 50 H ILE 50 4.799 3.973 -5.739 388 HA ILE 50 HA ILE 50 6.772 1.875 -6.371 389 HB ILE 50 HB ILE 50 4.387 1.358 -4.585 390 1HG1 ILE 50 2HG1 ILE 50 6.418 1.336 -2.826 391 2HG1 ILE 50 1HG1 ILE 50 7.003 2.599 -3.900 392 1HG2 ILE 50 1HG2 ILE 50 5.449 -0.573 -5.624 393 2HG2 ILE 50 2HG2 ILE 50 5.732 -0.565 -3.883 394 3HG2 ILE 50 3HG2 ILE 50 7.014 -0.067 -4.986 395 1HD1 ILE 50 1HD1 ILE 50 4.960 3.864 -3.558 396 2HD1 ILE 50 2HD1 ILE 50 5.756 3.521 -2.023 397 3HD1 ILE 50 3HD1 ILE 50 4.334 2.596 -2.505 398 H GLN 51 H GLN 51 6.356 1.339 -8.380 399 HA GLN 51 HA GLN 51 3.624 1.013 -9.322 400 1HB GLN 51 2HB GLN 51 5.915 1.751 -10.598 401 2HB GLN 51 1HB GLN 51 5.894 0.035 -10.965 402 1HG GLN 51 2HG GLN 51 3.492 1.750 -11.461 403 2HG GLN 51 1HG GLN 51 4.820 1.679 -12.615 404 1HE2 GLN 51 1HE2 GLN 51 3.536 0.782 -14.200 405 2HE2 GLN 51 2HE2 GLN 51 3.001 -0.863 -14.138 406 H VAL 52 H VAL 52 2.584 -0.795 -8.794 407 HA VAL 52 HA VAL 52 4.140 -3.263 -8.411 408 HB VAL 52 HB VAL 52 2.520 -3.899 -6.639 409 1HG1 VAL 52 1HG1 VAL 52 4.063 -1.367 -6.132 410 2HG1 VAL 52 2HG1 VAL 52 4.689 -3.013 -6.038 411 3HG1 VAL 52 3HG1 VAL 52 3.462 -2.469 -4.895 412 1HG2 VAL 52 1HG2 VAL 52 1.132 -2.154 -5.616 413 2HG2 VAL 52 2HG2 VAL 52 0.669 -2.455 -7.291 414 3HG2 VAL 52 3HG2 VAL 52 1.622 -1.029 -6.882 415 H GLU 53 H GLU 53 2.629 -5.195 -8.269 416 HA GLU 53 HA GLU 53 0.589 -5.023 -10.391 417 1HB GLU 53 2HB GLU 53 2.540 -6.260 -11.178 418 2HB GLU 53 1HB GLU 53 2.506 -7.280 -9.746 419 1HG GLU 53 2HG GLU 53 0.231 -8.055 -10.488 420 2HG GLU 53 1HG GLU 53 0.528 -7.215 -12.008 421 H THR 54 H THR 54 -1.414 -5.574 -9.740 422 HA THR 54 HA THR 54 -1.786 -6.930 -7.198 423 HB THR 54 HB THR 54 -3.919 -6.192 -9.208 424 HG1 THR 54 1HG THR 54 -3.994 -4.313 -7.541 425 1HG2 THR 54 1HG2 THR 54 -5.350 -6.064 -7.215 426 2HG2 THR 54 2HG2 THR 54 -3.987 -6.551 -6.209 427 3HG2 THR 54 3HG2 THR 54 -4.643 -7.671 -7.402 428 H ARG 55 H ARG 55 -2.263 -7.478 -10.624 429 HA ARG 55 HA ARG 55 -1.452 -10.132 -10.607 430 1HB ARG 55 2HB ARG 55 -3.665 -10.518 -9.475 431 2HB ARG 55 1HB ARG 55 -4.458 -9.882 -10.911 432 1HG ARG 55 2HG ARG 55 -3.509 -11.679 -12.251 433 2HG ARG 55 1HG ARG 55 -2.673 -12.309 -10.831 434 1HD ARG 55 2HD ARG 55 -4.673 -13.597 -11.229 435 2HD ARG 55 1HD ARG 55 -4.857 -12.664 -9.745 436 HE ARG 55 HE ARG 55 -6.296 -11.142 -10.963 437 1HH1 ARG 55 1HH1 ARG 55 -5.559 -14.188 -12.539 438 2HH1 ARG 55 2HH1 ARG 55 -6.997 -14.180 -13.518 439 1HH2 ARG 55 1HH2 ARG 55 -8.216 -11.144 -12.239 440 2HH2 ARG 55 2HH2 ARG 55 -8.508 -12.460 -13.344 441 H GLN 56 H GLN 56 -3.855 -8.016 -12.131 442 HA GLN 56 HA GLN 56 -2.277 -8.189 -14.604 443 1HB GLN 56 2HB GLN 56 -5.239 -8.379 -14.240 444 2HB GLN 56 1HB GLN 56 -4.582 -7.709 -15.727 445 1HG GLN 56 2HG GLN 56 -3.931 -10.426 -14.615 446 2HG GLN 56 1HG GLN 56 -5.086 -10.101 -15.909 447 1HE2 GLN 56 1HE2 GLN 56 -1.727 -10.223 -15.016 448 2HE2 GLN 56 2HE2 GLN 56 -1.093 -10.132 -16.628 449 H THR 57 H THR 57 -4.004 -6.237 -12.322 450 HA THR 57 HA THR 57 -3.639 -3.865 -13.975 451 HB THR 57 HB THR 57 -5.776 -4.097 -12.745 452 HG1 THR 57 1HG THR 57 -5.579 -2.000 -12.945 453 1HG2 THR 57 1HG2 THR 57 -4.978 -5.258 -10.754 454 2HG2 THR 57 2HG2 THR 57 -5.841 -3.781 -10.319 455 3HG2 THR 57 3HG2 THR 57 -4.078 -3.822 -10.266 456 H SER 58 H SER 58 -2.175 -2.293 -13.558 457 HA SER 58 HA SER 58 -0.249 -2.859 -11.407 458 1HB SER 58 2HB SER 58 0.165 -1.225 -13.917 459 2HB SER 58 1HB SER 58 1.395 -1.638 -12.725 460 HG SER 58 HG SER 58 1.342 -3.723 -13.361 461 H LEU 59 H LEU 59 0.225 -1.316 -9.957 462 HA LEU 59 HA LEU 59 -1.294 1.192 -10.155 463 1HB LEU 59 2HB LEU 59 -1.127 -0.759 -7.908 464 2HB LEU 59 1HB LEU 59 -1.272 0.948 -7.530 465 HG LEU 59 HG LEU 59 -3.184 -0.374 -9.410 466 1HD1 LEU 59 1HD1 LEU 59 -3.205 -1.685 -7.344 467 2HD1 LEU 59 2HD1 LEU 59 -4.691 -0.748 -7.521 468 3HD1 LEU 59 3HD1 LEU 59 -3.432 -0.206 -6.410 469 1HD2 LEU 59 1HD2 LEU 59 -4.653 1.434 -8.694 470 2HD2 LEU 59 2HD2 LEU 59 -3.138 2.064 -9.343 471 3HD2 LEU 59 3HD2 LEU 59 -3.400 2.021 -7.600 472 H ALA 60 H ALA 60 -0.445 2.964 -9.141 473 HA ALA 60 HA ALA 60 2.374 2.780 -8.308 474 1HB ALA 60 1HB ALA 60 2.889 4.844 -9.490 475 2HB ALA 60 2HB ALA 60 1.231 4.948 -10.079 476 3HB ALA 60 3HB ALA 60 2.279 3.638 -10.623 477 H LEU 61 H LEU 61 2.614 3.558 -6.317 478 HA LEU 61 HA LEU 61 0.617 5.490 -5.372 479 1HB LEU 61 2HB LEU 61 0.693 4.388 -3.146 480 2HB LEU 61 1HB LEU 61 -0.026 3.407 -4.399 481 HG LEU 61 HG LEU 61 2.851 2.990 -3.779 482 1HD1 LEU 61 1HD1 LEU 61 1.792 3.068 -1.582 483 2HD1 LEU 61 2HD1 LEU 61 2.254 1.417 -2.001 484 3HD1 LEU 61 3HD1 LEU 61 0.569 1.924 -2.127 485 1HD2 LEU 61 1HD2 LEU 61 1.775 1.797 -5.636 486 2HD2 LEU 61 2HD2 LEU 61 0.587 1.138 -4.511 487 3HD2 LEU 61 3HD2 LEU 61 2.287 0.693 -4.360 488 H ARG 62 H ARG 62 1.349 6.924 -3.739 489 HA ARG 62 HA ARG 62 4.213 7.395 -4.055 490 1HB ARG 62 2HB ARG 62 1.916 9.176 -3.262 491 2HB ARG 62 1HB ARG 62 3.593 9.678 -3.103 492 1HG ARG 62 2HG ARG 62 2.740 10.563 -5.134 493 2HG ARG 62 1HG ARG 62 3.873 9.283 -5.545 494 1HD ARG 62 2HD ARG 62 2.033 8.982 -6.974 495 2HD ARG 62 1HD ARG 62 1.859 7.757 -5.724 496 HE ARG 62 HE ARG 62 0.433 10.207 -5.192 497 1HH1 ARG 62 1HH1 ARG 62 0.243 7.067 -6.737 498 2HH1 ARG 62 2HH1 ARG 62 -1.487 6.988 -6.644 499 1HH2 ARG 62 1HH2 ARG 62 -1.835 10.096 -5.067 500 2HH2 ARG 62 2HH2 ARG 62 -2.670 8.703 -5.681 501 H ARG 63 H ARG 63 5.158 8.584 -2.079 502 HA ARG 63 HA ARG 63 5.347 6.954 0.133 503 1HB ARG 63 2HB ARG 63 6.265 9.013 1.269 504 2HB ARG 63 1HB ARG 63 7.002 8.605 -0.269 505 1HG ARG 63 2HG ARG 63 5.478 10.283 -1.343 506 2HG ARG 63 1HG ARG 63 5.021 10.791 0.283 507 1HD ARG 63 2HD ARG 63 7.834 10.770 -0.797 508 2HD ARG 63 1HD ARG 63 6.793 12.189 -0.722 509 HE ARG 63 HE ARG 63 6.764 11.517 1.813 510 1HH1 ARG 63 1HH1 ARG 63 9.484 11.345 -0.381 511 2HH1 ARG 63 2HH1 ARG 63 10.658 11.797 0.814 512 1HH2 ARG 63 1HH2 ARG 63 8.295 12.122 3.398 513 2HH2 ARG 63 2HH2 ARG 63 9.973 12.244 2.971 514 H LYS 64 H LYS 64 3.132 9.560 -0.517 515 HA LYS 64 HA LYS 64 1.939 9.872 1.982 516 1HB LYS 64 2HB LYS 64 1.580 11.396 0.089 517 2HB LYS 64 1HB LYS 64 0.700 10.136 -0.764 518 1HG LYS 64 2HG LYS 64 -1.029 10.166 0.931 519 2HG LYS 64 1HG LYS 64 -0.137 11.388 1.841 520 1HD LYS 64 2HD LYS 64 -0.346 12.941 -0.041 521 2HD LYS 64 1HD LYS 64 -1.223 11.713 -0.957 522 1HE LYS 64 2HE LYS 64 -2.997 11.718 0.709 523 2HE LYS 64 1HE LYS 64 -2.113 12.901 1.670 524 1HZ LYS 64 1HZ LYS 64 -3.871 13.916 0.345 525 2HZ LYS 64 2HZ LYS 64 -3.141 13.362 -1.083 526 3HZ LYS 64 3HZ LYS 64 -2.345 14.499 -0.109 527 H ASP 65 H ASP 65 1.091 7.684 -0.682 528 HA ASP 65 HA ASP 65 -1.108 6.456 0.599 529 1HB ASP 65 2HB ASP 65 0.697 5.295 -1.535 530 2HB ASP 65 1HB ASP 65 -0.933 4.773 -1.146 531 H LEU 66 H LEU 66 2.319 5.688 0.356 532 HA LEU 66 HA LEU 66 2.319 3.189 1.617 533 1HB LEU 66 2HB LEU 66 4.244 4.078 0.400 534 2HB LEU 66 1HB LEU 66 4.452 5.332 1.604 535 HG LEU 66 HG LEU 66 4.943 3.570 3.296 536 1HD1 LEU 66 1HD1 LEU 66 4.898 1.743 0.901 537 2HD1 LEU 66 2HD1 LEU 66 3.759 1.724 2.247 538 3HD1 LEU 66 3HD1 LEU 66 5.452 1.309 2.518 539 1HD2 LEU 66 1HD2 LEU 66 7.182 3.086 2.499 540 2HD2 LEU 66 2HD2 LEU 66 6.735 4.750 2.121 541 3HD2 LEU 66 3HD2 LEU 66 6.709 3.521 0.856 542 H ALA 67 H ALA 67 2.416 6.451 2.943 543 HA ALA 67 HA ALA 67 3.020 5.722 5.609 544 1HB ALA 67 1HB ALA 67 3.288 8.005 4.740 545 2HB ALA 67 2HB ALA 67 2.293 7.965 6.195 546 3HB ALA 67 3HB ALA 67 1.534 8.149 4.615 547 H LEU 68 H LEU 68 0.086 5.591 3.783 548 HA LEU 68 HA LEU 68 -1.603 5.572 6.152 549 1HB LEU 68 2HB LEU 68 -2.331 5.205 3.245 550 2HB LEU 68 1HB LEU 68 -3.462 5.414 4.569 551 HG LEU 68 HG LEU 68 -1.476 7.469 3.602 552 1HD1 LEU 68 1HD1 LEU 68 -3.450 8.690 2.852 553 2HD1 LEU 68 2HD1 LEU 68 -4.478 7.357 3.375 554 3HD1 LEU 68 3HD1 LEU 68 -3.329 7.118 2.059 555 1HD2 LEU 68 1HD2 LEU 68 -2.573 8.994 5.161 556 2HD2 LEU 68 2HD2 LEU 68 -1.854 7.630 6.018 557 3HD2 LEU 68 3HD2 LEU 68 -3.595 7.679 5.741 558 H LEU 69 H LEU 69 0.120 3.327 4.289 559 HA LEU 69 HA LEU 69 -1.713 1.146 5.039 560 1HB LEU 69 2HB LEU 69 0.342 1.294 2.836 561 2HB LEU 69 1HB LEU 69 -0.549 -0.158 3.258 562 HG LEU 69 HG LEU 69 -1.820 2.405 2.287 563 1HD1 LEU 69 1HD1 LEU 69 -1.281 -0.179 0.822 564 2HD1 LEU 69 2HD1 LEU 69 -0.455 1.354 0.544 565 3HD1 LEU 69 3HD1 LEU 69 -2.176 1.202 0.189 566 1HD2 LEU 69 1HD2 LEU 69 -2.938 -0.362 2.740 567 2HD2 LEU 69 2HD2 LEU 69 -3.808 0.989 2.015 568 3HD2 LEU 69 3HD2 LEU 69 -3.293 1.077 3.699 569 H THR 70 H THR 70 -0.965 -0.601 6.184 570 HA THR 70 HA THR 70 1.830 -0.457 7.076 571 HB THR 70 HB THR 70 -0.331 -2.248 8.152 572 HG1 THR 70 1HG THR 70 -0.214 0.358 8.370 573 1HG2 THR 70 1HG2 THR 70 1.948 -2.985 8.644 574 2HG2 THR 70 2HG2 THR 70 1.142 -2.421 10.107 575 3HG2 THR 70 3HG2 THR 70 2.324 -1.392 9.300 576 H LEU 71 H LEU 71 3.206 -1.628 5.991 577 HA LEU 71 HA LEU 71 2.232 -3.959 4.490 578 1HB LEU 71 2HB LEU 71 4.603 -2.187 3.894 579 2HB LEU 71 1HB LEU 71 4.093 -3.563 2.940 580 HG LEU 71 HG LEU 71 2.580 -0.976 3.300 581 1HD1 LEU 71 1HD1 LEU 71 2.994 -0.673 0.933 582 2HD1 LEU 71 2HD1 LEU 71 3.851 -2.213 0.862 583 3HD1 LEU 71 3HD1 LEU 71 4.523 -0.872 1.790 584 1HD2 LEU 71 1HD2 LEU 71 1.041 -2.864 3.194 585 2HD2 LEU 71 2HD2 LEU 71 1.844 -3.445 1.735 586 3HD2 LEU 71 3HD2 LEU 71 0.974 -1.910 1.711 587 H VAL 72 H VAL 72 3.309 -5.844 4.567 588 HA VAL 72 HA VAL 72 5.762 -5.971 6.183 589 HB VAL 72 HB VAL 72 5.069 -8.287 6.871 590 1HG1 VAL 72 1HG1 VAL 72 4.865 -6.397 8.403 591 2HG1 VAL 72 2HG1 VAL 72 3.551 -7.548 8.644 592 3HG1 VAL 72 3HG1 VAL 72 3.256 -6.046 7.769 593 1HG2 VAL 72 1HG2 VAL 72 2.678 -8.865 6.763 594 2HG2 VAL 72 2HG2 VAL 72 3.389 -8.721 5.156 595 3HG2 VAL 72 3HG2 VAL 72 2.378 -7.424 5.794 596 HA PRO 73 HA PRO 73 7.212 -7.438 2.279 597 1HB PRO 73 2HB PRO 73 9.666 -8.206 3.685 598 2HB PRO 73 1HB PRO 73 9.431 -6.966 2.451 599 1HG PRO 73 2HG PRO 73 9.946 -6.357 5.030 600 2HG PRO 73 1HG PRO 73 8.920 -5.337 4.002 601 1HD PRO 73 2HD PRO 73 8.127 -7.340 6.082 602 2HD PRO 73 1HD PRO 73 7.445 -5.732 5.747 603 H LEU 74 H LEU 74 7.822 -9.380 1.234 604 HA LEU 74 HA LEU 74 7.132 -11.829 2.519 605 1HB LEU 74 2HB LEU 74 8.566 -11.295 -0.084 606 2HB LEU 74 1HB LEU 74 7.996 -12.862 0.438 607 HG LEU 74 HG LEU 74 6.301 -10.470 -0.259 608 1HD1 LEU 74 1HD1 LEU 74 6.550 -13.190 -1.537 609 2HD1 LEU 74 2HD1 LEU 74 7.248 -11.695 -2.161 610 3HD1 LEU 74 3HD1 LEU 74 5.496 -11.877 -2.064 611 1HD2 LEU 74 1HD2 LEU 74 5.444 -13.190 0.722 612 2HD2 LEU 74 2HD2 LEU 74 4.377 -11.904 0.157 613 3HD2 LEU 74 3HD2 LEU 74 5.326 -11.681 1.628 614 H ASP 75 H ASP 75 10.114 -10.171 1.722 615 HA ASP 75 HA ASP 75 11.602 -12.142 3.308 616 1HB ASP 75 2HB ASP 75 12.218 -12.502 1.007 617 2HB ASP 75 1HB ASP 75 12.457 -10.777 0.750 Start of MODEL 3 1 HA MET 1 HA MET 1 4.346 -3.783 -24.154 2 1HB MET 1 2HB MET 1 5.605 -2.842 -26.155 3 2HB MET 1 1HB MET 1 6.383 -1.728 -25.042 4 1HG MET 1 2HG MET 1 6.509 -4.708 -24.706 5 2HG MET 1 1HG MET 1 7.673 -3.807 -25.672 6 1HE MET 1 1HE MET 1 7.986 -1.119 -24.016 7 2HE MET 1 2HE MET 1 9.367 -2.014 -24.658 8 3HE MET 1 3HE MET 1 9.349 -1.510 -22.968 9 H SER 2 H SER 2 4.563 -4.062 -22.042 10 HA SER 2 HA SER 2 5.422 -1.771 -20.412 11 1HB SER 2 2HB SER 2 3.881 -4.245 -19.588 12 2HB SER 2 1HB SER 2 4.279 -2.877 -18.546 13 HG SER 2 HG SER 2 2.113 -3.073 -19.826 14 H ALA 3 H ALA 3 7.324 -1.885 -19.385 15 HA ALA 3 HA ALA 3 8.936 -4.266 -19.640 16 1HB ALA 3 1HB ALA 3 9.574 -1.619 -18.332 17 2HB ALA 3 2HB ALA 3 9.930 -2.058 -20.001 18 3HB ALA 3 3HB ALA 3 10.728 -2.910 -18.679 19 H LEU 4 H LEU 4 7.653 -5.673 -18.338 20 HA LEU 4 HA LEU 4 7.553 -5.021 -15.489 21 1HB LEU 4 2HB LEU 4 5.501 -5.718 -16.889 22 2HB LEU 4 1HB LEU 4 6.174 -7.334 -16.827 23 HG LEU 4 HG LEU 4 5.543 -5.756 -14.340 24 1HD1 LEU 4 1HD1 LEU 4 3.507 -5.979 -15.671 25 2HD1 LEU 4 2HD1 LEU 4 3.443 -6.987 -14.225 26 3HD1 LEU 4 3HD1 LEU 4 3.777 -7.718 -15.794 27 1HD2 LEU 4 1HD2 LEU 4 5.931 -8.700 -14.859 28 2HD2 LEU 4 2HD2 LEU 4 5.470 -7.989 -13.313 29 3HD2 LEU 4 3HD2 LEU 4 7.048 -7.630 -14.011 30 H GLN 5 H GLN 5 9.128 -5.807 -14.285 31 HA GLN 5 HA GLN 5 9.752 -8.626 -14.450 32 1HB GLN 5 2HB GLN 5 11.420 -7.464 -15.944 33 2HB GLN 5 1HB GLN 5 12.006 -6.613 -14.520 34 1HG GLN 5 2HG GLN 5 12.723 -8.646 -13.508 35 2HG GLN 5 1HG GLN 5 11.944 -9.607 -14.765 36 1HE2 GLN 5 1HE2 GLN 5 14.718 -9.572 -13.914 37 2HE2 GLN 5 2HE2 GLN 5 15.646 -9.184 -15.325 38 HA PRO 6 HA PRO 6 9.098 -7.173 -10.253 39 1HB PRO 6 2HB PRO 6 8.300 -9.534 -9.225 40 2HB PRO 6 1HB PRO 6 7.248 -8.539 -10.241 41 1HG PRO 6 2HG PRO 6 8.859 -10.954 -10.967 42 2HG PRO 6 1HG PRO 6 7.206 -10.524 -11.446 43 1HD PRO 6 2HD PRO 6 9.386 -10.146 -13.046 44 2HD PRO 6 1HD PRO 6 7.923 -9.145 -13.132 45 H SER 7 H SER 7 9.985 -7.583 -8.159 46 HA SER 7 HA SER 7 12.403 -9.263 -8.195 47 1HB SER 7 2HB SER 7 12.954 -6.846 -8.230 48 2HB SER 7 1HB SER 7 12.045 -6.626 -6.739 49 HG SER 7 HG SER 7 14.035 -8.587 -6.756 50 H ARG 8 H ARG 8 10.652 -7.487 -5.626 51 HA ARG 8 HA ARG 8 10.249 -10.062 -4.271 52 1HB ARG 8 2HB ARG 8 11.334 -7.497 -3.122 53 2HB ARG 8 1HB ARG 8 10.675 -8.780 -2.115 54 1HG ARG 8 2HG ARG 8 12.373 -10.270 -2.689 55 2HG ARG 8 1HG ARG 8 12.843 -9.326 -4.100 56 1HD ARG 8 2HD ARG 8 14.469 -9.094 -2.297 57 2HD ARG 8 1HD ARG 8 13.683 -7.559 -2.653 58 HE ARG 8 HE ARG 8 12.712 -9.214 -0.419 59 1HH1 ARG 8 1HH1 ARG 8 14.251 -6.295 -1.607 60 2HH1 ARG 8 2HH1 ARG 8 14.053 -5.425 -0.114 61 1HH2 ARG 8 1HH2 ARG 8 12.520 -8.122 1.567 62 2HH2 ARG 8 2HH2 ARG 8 13.100 -6.485 1.713 63 H SER 9 H SER 9 8.650 -9.788 -2.391 64 HA SER 9 HA SER 9 6.422 -8.139 -3.393 65 1HB SER 9 2HB SER 9 6.224 -10.927 -2.233 66 2HB SER 9 1HB SER 9 4.888 -9.956 -2.851 67 HG SER 9 HG SER 9 6.924 -11.298 -4.233 68 H TYR 10 H TYR 10 5.084 -7.174 -1.936 69 HA TYR 10 HA TYR 10 5.792 -7.433 0.917 70 1HB TYR 10 2HB TYR 10 5.020 -4.928 -0.606 71 2HB TYR 10 1HB TYR 10 5.202 -5.017 1.141 72 HD1 TYR 10 1HD TYR 10 7.043 -5.325 -2.064 73 HD2 TYR 10 2HD TYR 10 7.320 -4.796 2.151 74 HE1 TYR 10 1HE TYR 10 9.433 -4.795 -2.296 75 HE2 TYR 10 2HE TYR 10 9.711 -4.266 1.933 76 HH TYR 10 HH TYR 10 11.211 -3.752 -1.157 77 H ARG 11 H ARG 11 4.094 -7.688 2.313 78 HA ARG 11 HA ARG 11 1.416 -7.727 1.089 79 1HB ARG 11 2HB ARG 11 0.778 -9.231 2.961 80 2HB ARG 11 1HB ARG 11 2.035 -9.898 1.933 81 1HG ARG 11 2HG ARG 11 3.722 -9.259 3.577 82 2HG ARG 11 1HG ARG 11 2.460 -8.581 4.605 83 1HD ARG 11 2HD ARG 11 1.450 -10.793 4.826 84 2HD ARG 11 1HD ARG 11 2.693 -11.472 3.772 85 HE ARG 11 HE ARG 11 4.084 -10.244 5.783 86 1HH1 ARG 11 1HH1 ARG 11 1.651 -12.763 5.631 87 2HH1 ARG 11 2HH1 ARG 11 2.187 -13.537 7.097 88 1HH2 ARG 11 1HH2 ARG 11 4.788 -11.256 7.696 89 2HH2 ARG 11 2HH2 ARG 11 3.964 -12.679 8.265 90 H ILE 12 H ILE 12 -0.354 -6.971 2.322 91 HA ILE 12 HA ILE 12 0.404 -4.717 4.056 92 HB ILE 12 HB ILE 12 -2.334 -5.282 2.891 93 1HG1 ILE 12 2HG1 ILE 12 -0.160 -3.509 1.749 94 2HG1 ILE 12 1HG1 ILE 12 -0.673 -5.052 1.070 95 1HG2 ILE 12 1HG2 ILE 12 -2.692 -2.880 3.296 96 2HG2 ILE 12 2HG2 ILE 12 -1.085 -2.778 4.017 97 3HG2 ILE 12 3HG2 ILE 12 -2.333 -3.766 4.778 98 1HD1 ILE 12 1HD1 ILE 12 -2.391 -2.592 1.342 99 2HD1 ILE 12 2HD1 ILE 12 -2.884 -4.134 0.644 100 3HD1 ILE 12 3HD1 ILE 12 -1.632 -3.173 -0.140 101 H THR 13 H THR 13 0.302 -5.099 6.188 102 HA THR 13 HA THR 13 -1.280 -7.345 7.140 103 HB THR 13 HB THR 13 1.048 -7.121 7.908 104 HG1 THR 13 1HG THR 13 -0.835 -6.743 10.027 105 1HG2 THR 13 1HG2 THR 13 0.072 -4.623 9.292 106 2HG2 THR 13 2HG2 THR 13 1.220 -4.689 7.955 107 3HG2 THR 13 3HG2 THR 13 1.650 -5.374 9.524 108 H GLY 14 H GLY 14 -1.514 -3.932 6.941 109 1HA GLY 14 2HA GLY 14 -4.132 -3.738 7.738 110 2HA GLY 14 1HA GLY 14 -3.201 -3.520 9.215 111 H TYR 15 H TYR 15 -4.363 -1.364 9.046 112 HA TYR 15 HA TYR 15 -2.946 0.464 7.232 113 1HB TYR 15 2HB TYR 15 -5.396 0.932 8.942 114 2HB TYR 15 1HB TYR 15 -4.674 2.113 7.861 115 HD1 TYR 15 1HD TYR 15 -4.723 1.696 5.396 116 HD2 TYR 15 2HD TYR 15 -6.916 -0.694 8.139 117 HE1 TYR 15 1HE TYR 15 -6.148 0.906 3.557 118 HE2 TYR 15 2HE TYR 15 -8.349 -1.496 6.310 119 HH TYR 15 HH TYR 15 -7.612 -0.850 2.983 120 H SER 16 H SER 16 -2.054 2.411 8.066 121 HA SER 16 HA SER 16 -0.833 2.166 10.637 122 1HB SER 16 2HB SER 16 -0.911 4.506 8.714 123 2HB SER 16 1HB SER 16 0.210 4.285 10.048 124 HG SER 16 HG SER 16 0.839 3.635 7.767 125 HA PRO 17 HA PRO 17 -3.990 3.902 13.113 126 1HB PRO 17 2HB PRO 17 -1.927 5.323 14.682 127 2HB PRO 17 1HB PRO 17 -3.075 4.083 15.192 128 1HG PRO 17 2HG PRO 17 -0.477 3.537 14.916 129 2HG PRO 17 1HG PRO 17 -1.721 2.349 14.483 130 1HD PRO 17 2HD PRO 17 -0.098 4.133 12.703 131 2HD PRO 17 1HD PRO 17 -0.559 2.432 12.476 132 H ALA 18 H ALA 18 -2.195 5.868 11.148 133 HA ALA 18 HA ALA 18 -3.312 8.374 12.151 134 1HB ALA 18 1HB ALA 18 -0.952 8.358 11.517 135 2HB ALA 18 2HB ALA 18 -1.881 9.462 10.503 136 3HB ALA 18 3HB ALA 18 -1.395 7.887 9.877 137 H ILE 19 H ILE 19 -4.457 5.943 10.336 138 HA ILE 19 HA ILE 19 -5.539 7.512 8.159 139 HB ILE 19 HB ILE 19 -4.903 5.188 7.728 140 1HG1 ILE 19 2HG1 ILE 19 -7.888 5.618 7.491 141 2HG1 ILE 19 1HG1 ILE 19 -6.679 6.265 6.386 142 1HG2 ILE 19 1HG2 ILE 19 -6.236 3.330 8.606 143 2HG2 ILE 19 2HG2 ILE 19 -7.125 4.457 9.629 144 3HG2 ILE 19 3HG2 ILE 19 -5.399 4.203 9.888 145 1HD1 ILE 19 1HD1 ILE 19 -7.730 4.299 5.457 146 2HD1 ILE 19 2HD1 ILE 19 -7.266 3.357 6.873 147 3HD1 ILE 19 3HD1 ILE 19 -6.025 3.984 5.788 148 H SER 20 H SER 20 -7.390 8.565 8.180 149 HA SER 20 HA SER 20 -9.621 7.764 9.835 150 1HB SER 20 2HB SER 20 -8.307 10.463 10.294 151 2HB SER 20 1HB SER 20 -9.756 9.856 11.095 152 HG SER 20 HG SER 20 -7.882 8.043 11.459 153 H ASN 21 H ASN 21 -11.346 9.707 9.625 154 HA ASN 21 HA ASN 21 -12.601 11.139 8.386 155 1HB ASN 21 2HB ASN 21 -10.420 12.401 8.342 156 2HB ASN 21 1HB ASN 21 -10.102 11.673 6.773 157 1HD2 ASN 21 1HD2 ASN 21 -10.042 13.677 5.782 158 2HD2 ASN 21 2HD2 ASN 21 -11.470 14.604 5.477 159 H GLY 22 H GLY 22 -12.297 8.319 7.565 160 1HA GLY 22 2HA GLY 22 -13.519 7.106 6.010 161 2HA GLY 22 1HA GLY 22 -13.778 8.583 5.097 162 H TYR 23 H TYR 23 -10.516 8.273 5.748 163 HA TYR 23 HA TYR 23 -9.806 7.925 3.067 164 1HB TYR 23 2HB TYR 23 -8.361 7.983 5.662 165 2HB TYR 23 1HB TYR 23 -7.508 7.338 4.273 166 HD1 TYR 23 1HD TYR 23 -6.271 8.814 2.993 167 HD2 TYR 23 2HD TYR 23 -9.604 10.301 5.180 168 HE1 TYR 23 1HE TYR 23 -5.727 11.098 2.257 169 HE2 TYR 23 2HE TYR 23 -9.066 12.586 4.456 170 HH TYR 23 HH TYR 23 -7.131 13.860 3.653 171 H ARG 24 H ARG 24 -10.388 5.602 5.587 172 HA ARG 24 HA ARG 24 -9.031 3.404 4.451 173 1HB ARG 24 2HB ARG 24 -9.944 3.536 6.791 174 2HB ARG 24 1HB ARG 24 -11.552 3.319 6.118 175 1HG ARG 24 2HG ARG 24 -10.857 1.166 5.190 176 2HG ARG 24 1HG ARG 24 -9.268 1.370 5.926 177 1HD ARG 24 2HD ARG 24 -11.922 1.084 7.318 178 2HD ARG 24 1HD ARG 24 -10.562 -0.036 7.360 179 HE ARG 24 HE ARG 24 -10.425 2.672 8.519 180 1HH1 ARG 24 1HH1 ARG 24 -9.882 -0.782 8.727 181 2HH1 ARG 24 2HH1 ARG 24 -9.100 -0.685 10.282 182 1HH2 ARG 24 1HH2 ARG 24 -9.404 2.812 10.527 183 2HH2 ARG 24 2HH2 ARG 24 -8.849 1.366 11.316 184 H GLN 25 H GLN 25 -12.295 4.681 4.060 185 HA GLN 25 HA GLN 25 -13.338 2.651 2.446 186 1HB GLN 25 2HB GLN 25 -13.977 5.598 2.492 187 2HB GLN 25 1HB GLN 25 -14.968 4.364 1.747 188 1HG GLN 25 2HG GLN 25 -15.429 3.364 3.881 189 2HG GLN 25 1HG GLN 25 -14.309 4.471 4.675 190 1HE2 GLN 25 1HE2 GLN 25 -15.143 6.744 3.049 191 2HE2 GLN 25 2HE2 GLN 25 -16.686 7.225 3.665 192 H ARG 26 H ARG 26 -11.667 5.640 1.697 193 HA ARG 26 HA ARG 26 -11.764 5.515 -1.091 194 1HB ARG 26 2HB ARG 26 -11.102 7.493 0.262 195 2HB ARG 26 1HB ARG 26 -9.597 6.687 0.663 196 1HG ARG 26 2HG ARG 26 -8.918 6.722 -1.656 197 2HG ARG 26 1HG ARG 26 -10.463 7.442 -2.119 198 1HD ARG 26 2HD ARG 26 -8.369 8.673 -0.330 199 2HD ARG 26 1HD ARG 26 -8.749 9.154 -1.982 200 HE ARG 26 HE ARG 26 -11.123 9.380 -0.647 201 1HH1 ARG 26 1HH1 ARG 26 -7.921 10.778 -0.287 202 2HH1 ARG 26 2HH1 ARG 26 -8.506 12.198 0.515 203 1HH2 ARG 26 1HH2 ARG 26 -11.882 11.241 0.402 204 2HH2 ARG 26 2HH2 ARG 26 -10.757 12.475 0.897 205 H LEU 27 H LEU 27 -9.458 4.222 1.232 206 HA LEU 27 HA LEU 27 -7.622 3.259 -0.728 207 1HB LEU 27 2HB LEU 27 -7.995 2.581 2.188 208 2HB LEU 27 1HB LEU 27 -6.700 1.929 1.208 209 HG LEU 27 HG LEU 27 -7.133 4.840 1.877 210 1HD1 LEU 27 1HD1 LEU 27 -5.031 2.872 2.764 211 2HD1 LEU 27 2HD1 LEU 27 -6.321 3.548 3.759 212 3HD1 LEU 27 3HD1 LEU 27 -5.047 4.595 3.135 213 1HD2 LEU 27 1HD2 LEU 27 -4.928 3.522 0.299 214 2HD2 LEU 27 2HD2 LEU 27 -4.997 5.222 0.763 215 3HD2 LEU 27 3HD2 LEU 27 -6.189 4.565 -0.358 216 H PHE 28 H PHE 28 -10.259 1.814 1.109 217 HA PHE 28 HA PHE 28 -9.902 -0.857 0.333 218 1HB PHE 28 2HB PHE 28 -11.443 -0.007 2.125 219 2HB PHE 28 1HB PHE 28 -12.535 0.532 0.863 220 HD1 PHE 28 1HD PHE 28 -10.963 -2.457 2.359 221 HD2 PHE 28 2HD PHE 28 -14.034 -0.944 -0.174 222 HE1 PHE 28 1HE PHE 28 -12.014 -4.678 2.310 223 HE2 PHE 28 2HE PHE 28 -15.089 -3.165 -0.229 224 HZ PHE 28 HZ PHE 28 -14.083 -5.035 1.013 225 H SER 29 H SER 29 -11.834 1.731 -1.076 226 HA SER 29 HA SER 29 -12.903 0.228 -3.208 227 1HB SER 29 2HB SER 29 -12.492 3.198 -2.869 228 2HB SER 29 1HB SER 29 -13.392 2.472 -4.199 229 HG SER 29 HG SER 29 -14.413 3.156 -1.964 230 H MET 30 H MET 30 -9.875 1.882 -2.796 231 HA MET 30 HA MET 30 -9.206 1.696 -5.607 232 1HB MET 30 2HB MET 30 -7.673 2.663 -3.202 233 2HB MET 30 1HB MET 30 -6.947 2.535 -4.794 234 1HG MET 30 2HG MET 30 -8.787 4.023 -5.640 235 2HG MET 30 1HG MET 30 -9.242 4.281 -3.959 236 1HE MET 30 1HE MET 30 -6.354 4.289 -2.554 237 2HE MET 30 2HE MET 30 -7.625 5.447 -2.157 238 3HE MET 30 3HE MET 30 -6.000 6.015 -2.546 239 H GLY 31 H GLY 31 -9.134 -0.371 -2.959 240 1HA GLY 31 2HA GLY 31 -8.723 -2.688 -3.280 241 2HA GLY 31 1HA GLY 31 -7.601 -2.285 -4.572 242 H LEU 32 H LEU 32 -7.422 -0.570 -1.570 243 HA LEU 32 HA LEU 32 -4.953 -2.048 -0.938 244 1HB LEU 32 2HB LEU 32 -5.691 0.793 -0.224 245 2HB LEU 32 1HB LEU 32 -4.182 -0.004 0.175 246 HG LEU 32 HG LEU 32 -5.134 0.615 -2.623 247 1HD1 LEU 32 1HD1 LEU 32 -2.992 1.907 -0.942 248 2HD1 LEU 32 2HD1 LEU 32 -4.540 2.627 -1.382 249 3HD1 LEU 32 3HD1 LEU 32 -3.343 2.277 -2.630 250 1HD2 LEU 32 1HD2 LEU 32 -3.744 -1.394 -2.514 251 2HD2 LEU 32 2HD2 LEU 32 -2.508 -0.494 -1.635 252 3HD2 LEU 32 3HD2 LEU 32 -2.891 -0.066 -3.303 253 H LEU 33 H LEU 33 -5.783 -3.599 0.413 254 HA LEU 33 HA LEU 33 -6.836 -2.634 2.962 255 1HB LEU 33 2HB LEU 33 -8.513 -4.388 3.003 256 2HB LEU 33 1HB LEU 33 -8.769 -3.325 1.638 257 HG LEU 33 HG LEU 33 -7.311 -5.936 1.313 258 1HD1 LEU 33 1HD1 LEU 33 -9.440 -6.453 2.393 259 2HD1 LEU 33 2HD1 LEU 33 -9.439 -6.976 0.709 260 3HD1 LEU 33 3HD1 LEU 33 -10.296 -5.507 1.176 261 1HD2 LEU 33 1HD2 LEU 33 -8.956 -4.241 -0.570 262 2HD2 LEU 33 2HD2 LEU 33 -8.151 -5.756 -0.981 263 3HD2 LEU 33 3HD2 LEU 33 -7.196 -4.343 -0.534 264 HA PRO 34 HA PRO 34 -4.059 -5.575 4.773 265 1HB PRO 34 2HB PRO 34 -6.139 -6.426 6.668 266 2HB PRO 34 1HB PRO 34 -4.607 -5.608 6.980 267 1HG PRO 34 2HG PRO 34 -6.964 -4.343 7.241 268 2HG PRO 34 1HG PRO 34 -5.505 -3.509 6.675 269 1HD PRO 34 2HD PRO 34 -7.826 -4.546 5.097 270 2HD PRO 34 1HD PRO 34 -6.924 -3.029 4.905 271 H GLY 35 H GLY 35 -3.508 -7.679 4.462 272 1HA GLY 35 2HA GLY 35 -3.987 -10.008 4.262 273 2HA GLY 35 1HA GLY 35 -5.651 -9.600 3.863 274 H ALA 36 H ALA 36 -3.879 -7.456 2.175 275 HA ALA 36 HA ALA 36 -3.828 -9.148 -0.203 276 1HB ALA 36 1HB ALA 36 -5.211 -7.127 -0.342 277 2HB ALA 36 2HB ALA 36 -3.859 -7.066 -1.474 278 3HB ALA 36 3HB ALA 36 -3.796 -6.138 0.025 279 H ALA 37 H ALA 37 -2.099 -7.886 -1.771 280 HA ALA 37 HA ALA 37 0.419 -7.411 -0.487 281 1HB ALA 37 1HB ALA 37 0.076 -9.978 -2.042 282 2HB ALA 37 2HB ALA 37 0.313 -9.850 -0.298 283 3HB ALA 37 3HB ALA 37 1.594 -9.349 -1.402 284 H LEU 38 H LEU 38 2.026 -6.706 -1.926 285 HA LEU 38 HA LEU 38 1.209 -6.350 -4.733 286 1HB LEU 38 2HB LEU 38 2.476 -4.248 -2.973 287 2HB LEU 38 1HB LEU 38 2.171 -4.082 -4.688 288 HG LEU 38 HG LEU 38 0.017 -4.425 -2.601 289 1HD1 LEU 38 1HD1 LEU 38 0.953 -1.941 -4.034 290 2HD1 LEU 38 2HD1 LEU 38 1.139 -2.289 -2.315 291 3HD1 LEU 38 3HD1 LEU 38 -0.470 -2.056 -2.998 292 1HD2 LEU 38 1HD2 LEU 38 -0.104 -3.778 -5.544 293 2HD2 LEU 38 2HD2 LEU 38 -1.475 -3.719 -4.436 294 3HD2 LEU 38 3HD2 LEU 38 -0.671 -5.255 -4.763 295 H ARG 39 H ARG 39 2.815 -6.601 -6.184 296 HA ARG 39 HA ARG 39 5.435 -7.396 -5.099 297 1HB ARG 39 2HB ARG 39 4.105 -9.165 -6.251 298 2HB ARG 39 1HB ARG 39 4.164 -8.204 -7.721 299 1HG ARG 39 2HG ARG 39 6.534 -8.455 -7.873 300 2HG ARG 39 1HG ARG 39 6.599 -9.229 -6.288 301 1HD ARG 39 2HD ARG 39 6.758 -10.914 -8.000 302 2HD ARG 39 1HD ARG 39 5.214 -11.074 -7.167 303 HE ARG 39 HE ARG 39 4.684 -9.498 -9.345 304 1HH1 ARG 39 1HH1 ARG 39 6.014 -12.690 -8.823 305 2HH1 ARG 39 2HH1 ARG 39 5.469 -13.310 -10.354 306 1HH2 ARG 39 1HH2 ARG 39 3.982 -10.291 -11.381 307 2HH2 ARG 39 2HH2 ARG 39 4.315 -11.952 -11.808 308 H VAL 40 H VAL 40 7.190 -6.236 -5.682 309 HA VAL 40 HA VAL 40 6.813 -3.756 -7.008 310 HB VAL 40 HB VAL 40 8.552 -4.228 -5.238 311 1HG1 VAL 40 1HG1 VAL 40 9.407 -6.310 -6.172 312 2HG1 VAL 40 2HG1 VAL 40 10.682 -5.132 -5.859 313 3HG1 VAL 40 3HG1 VAL 40 10.118 -5.407 -7.509 314 1HG2 VAL 40 1HG2 VAL 40 10.241 -2.731 -6.247 315 2HG2 VAL 40 2HG2 VAL 40 8.587 -2.160 -6.469 316 3HG2 VAL 40 3HG2 VAL 40 9.441 -2.931 -7.807 317 H VAL 41 H VAL 41 6.760 -3.290 -9.058 318 HA VAL 41 HA VAL 41 7.948 -5.116 -11.021 319 HB VAL 41 HB VAL 41 6.243 -2.646 -11.447 320 1HG1 VAL 41 1HG1 VAL 41 7.131 -4.757 -13.405 321 2HG1 VAL 41 2HG1 VAL 41 7.747 -3.107 -13.323 322 3HG1 VAL 41 3HG1 VAL 41 6.061 -3.399 -13.752 323 1HG2 VAL 41 1HG2 VAL 41 4.990 -4.441 -10.387 324 2HG2 VAL 41 2HG2 VAL 41 5.542 -5.573 -11.622 325 3HG2 VAL 41 3HG2 VAL 41 4.480 -4.235 -12.063 326 H ARG 42 H ARG 42 7.889 -1.607 -10.310 327 HA ARG 42 HA ARG 42 10.741 -1.467 -10.912 328 1HB ARG 42 2HB ARG 42 8.766 0.314 -12.352 329 2HB ARG 42 1HB ARG 42 10.517 0.383 -12.481 330 1HG ARG 42 2HG ARG 42 10.322 -2.056 -13.318 331 2HG ARG 42 1HG ARG 42 8.624 -1.654 -13.577 332 1HD ARG 42 2HD ARG 42 9.784 -1.257 -15.625 333 2HD ARG 42 1HD ARG 42 9.376 0.312 -14.925 334 HE ARG 42 HE ARG 42 11.946 -0.458 -14.070 335 1HH1 ARG 42 1HH1 ARG 42 10.280 0.636 -16.954 336 2HH1 ARG 42 2HH1 ARG 42 11.697 1.356 -17.657 337 1HH2 ARG 42 1HH2 ARG 42 13.809 0.481 -14.979 338 2HH2 ARG 42 2HH2 ARG 42 13.708 1.260 -16.533 339 H ILE 43 H ILE 43 11.689 0.596 -10.259 340 HA ILE 43 HA ILE 43 10.077 1.949 -8.190 341 HB ILE 43 HB ILE 43 13.080 1.551 -8.194 342 1HG1 ILE 43 2HG1 ILE 43 10.981 0.219 -6.467 343 2HG1 ILE 43 1HG1 ILE 43 11.809 -0.554 -7.813 344 1HG2 ILE 43 1HG2 ILE 43 12.961 2.393 -5.882 345 2HG2 ILE 43 2HG2 ILE 43 11.240 2.711 -6.100 346 3HG2 ILE 43 3HG2 ILE 43 12.429 3.593 -7.059 347 1HD1 ILE 43 1HD1 ILE 43 13.099 0.457 -5.290 348 2HD1 ILE 43 2HD1 ILE 43 13.939 -0.300 -6.643 349 3HD1 ILE 43 3HD1 ILE 43 12.772 -1.226 -5.699 350 H ALA 44 H ALA 44 10.113 4.191 -8.150 351 HA ALA 44 HA ALA 44 10.893 5.529 -10.547 352 1HB ALA 44 1HB ALA 44 10.052 7.544 -9.469 353 2HB ALA 44 2HB ALA 44 9.970 6.702 -7.922 354 3HB ALA 44 3HB ALA 44 8.923 6.207 -9.254 355 HA PRO 45 HA PRO 45 15.042 6.638 -9.994 356 1HB PRO 45 2HB PRO 45 14.250 9.450 -10.576 357 2HB PRO 45 1HB PRO 45 15.470 8.437 -11.358 358 1HG PRO 45 2HG PRO 45 13.150 8.901 -12.556 359 2HG PRO 45 1HG PRO 45 13.889 7.288 -12.619 360 1HD PRO 45 2HD PRO 45 11.607 8.266 -10.956 361 2HD PRO 45 1HD PRO 45 11.828 6.696 -11.755 362 H LEU 46 H LEU 46 12.707 8.341 -8.045 363 HA LEU 46 HA LEU 46 14.871 9.597 -6.507 364 1HB LEU 46 2HB LEU 46 11.920 10.182 -6.605 365 2HB LEU 46 1HB LEU 46 13.011 10.916 -5.444 366 HG LEU 46 HG LEU 46 13.174 11.213 -8.447 367 1HD1 LEU 46 1HD1 LEU 46 12.526 13.524 -8.024 368 2HD1 LEU 46 2HD1 LEU 46 12.385 13.181 -6.300 369 3HD1 LEU 46 3HD1 LEU 46 11.287 12.412 -7.447 370 1HD2 LEU 46 1HD2 LEU 46 14.813 12.484 -6.255 371 2HD2 LEU 46 2HD2 LEU 46 14.914 12.865 -7.974 372 3HD2 LEU 46 3HD2 LEU 46 15.380 11.265 -7.395 373 H GLY 47 H GLY 47 12.333 7.223 -6.243 374 1HA GLY 47 2HA GLY 47 12.489 5.640 -4.359 375 2HA GLY 47 1HA GLY 47 12.860 7.026 -3.337 376 H ASP 48 H ASP 48 10.962 8.747 -4.629 377 HA ASP 48 HA ASP 48 8.492 8.169 -3.420 378 1HB ASP 48 2HB ASP 48 9.594 10.238 -5.155 379 2HB ASP 48 1HB ASP 48 7.923 9.859 -5.573 380 HA PRO 49 HA PRO 49 5.583 5.754 -4.915 381 1HB PRO 49 2HB PRO 49 5.108 6.596 -7.674 382 2HB PRO 49 1HB PRO 49 3.979 6.439 -6.332 383 1HG PRO 49 2HG PRO 49 5.438 8.805 -7.236 384 2HG PRO 49 1HG PRO 49 4.067 8.696 -6.119 385 1HD PRO 49 2HD PRO 49 6.511 9.392 -5.256 386 2HD PRO 49 1HD PRO 49 5.448 8.365 -4.262 387 H ILE 50 H ILE 50 5.301 3.826 -5.904 388 HA ILE 50 HA ILE 50 7.603 2.898 -7.482 389 HB ILE 50 HB ILE 50 6.320 1.471 -5.137 390 1HG1 ILE 50 2HG1 ILE 50 9.067 2.720 -5.365 391 2HG1 ILE 50 1HG1 ILE 50 7.715 3.412 -4.474 392 1HG2 ILE 50 1HG2 ILE 50 7.107 -0.104 -6.797 393 2HG2 ILE 50 2HG2 ILE 50 8.166 -0.137 -5.386 394 3HG2 ILE 50 3HG2 ILE 50 8.677 0.701 -6.851 395 1HD1 ILE 50 1HD1 ILE 50 9.282 2.300 -2.990 396 2HD1 ILE 50 2HD1 ILE 50 9.070 0.788 -3.873 397 3HD1 ILE 50 3HD1 ILE 50 7.720 1.486 -2.977 398 H GLN 51 H GLN 51 7.175 1.391 -9.038 399 HA GLN 51 HA GLN 51 4.389 1.003 -9.748 400 1HB GLN 51 2HB GLN 51 6.302 1.506 -11.400 401 2HB GLN 51 1HB GLN 51 6.784 -0.163 -11.162 402 1HG GLN 51 2HG GLN 51 4.688 -0.956 -12.014 403 2HG GLN 51 1HG GLN 51 4.065 0.690 -12.115 404 1HE2 GLN 51 1HE2 GLN 51 3.675 0.541 -14.310 405 2HE2 GLN 51 2HE2 GLN 51 4.939 0.527 -15.491 406 H VAL 52 H VAL 52 3.323 -0.602 -8.794 407 HA VAL 52 HA VAL 52 4.776 -3.115 -8.276 408 HB VAL 52 HB VAL 52 3.230 -3.536 -6.405 409 1HG1 VAL 52 1HG1 VAL 52 4.188 -1.917 -4.838 410 2HG1 VAL 52 2HG1 VAL 52 4.731 -0.931 -6.195 411 3HG1 VAL 52 3HG1 VAL 52 5.401 -2.545 -5.953 412 1HG2 VAL 52 1HG2 VAL 52 1.824 -1.735 -5.532 413 2HG2 VAL 52 2HG2 VAL 52 1.343 -2.191 -7.167 414 3HG2 VAL 52 3HG2 VAL 52 2.275 -0.718 -6.903 415 H GLU 53 H GLU 53 3.208 -5.002 -8.063 416 HA GLU 53 HA GLU 53 1.188 -4.837 -10.206 417 1HB GLU 53 2HB GLU 53 3.275 -5.953 -10.962 418 2HB GLU 53 1HB GLU 53 3.112 -7.108 -9.651 419 1HG GLU 53 2HG GLU 53 0.764 -7.534 -10.760 420 2HG GLU 53 1HG GLU 53 1.580 -6.879 -12.182 421 H THR 54 H THR 54 -0.721 -5.907 -9.818 422 HA THR 54 HA THR 54 -0.994 -7.229 -7.217 423 HB THR 54 HB THR 54 -3.194 -6.666 -9.214 424 HG1 THR 54 1HG THR 54 -2.161 -5.030 -7.118 425 1HG2 THR 54 1HG2 THR 54 -3.222 -7.166 -6.233 426 2HG2 THR 54 2HG2 THR 54 -3.753 -8.292 -7.483 427 3HG2 THR 54 3HG2 THR 54 -4.633 -6.786 -7.220 428 H ARG 55 H ARG 55 -2.031 -7.792 -10.546 429 HA ARG 55 HA ARG 55 -1.115 -10.560 -10.413 430 1HB ARG 55 2HB ARG 55 -3.915 -9.708 -11.182 431 2HB ARG 55 1HB ARG 55 -3.238 -11.274 -11.602 432 1HG ARG 55 2HG ARG 55 -2.969 -11.806 -9.239 433 2HG ARG 55 1HG ARG 55 -3.620 -10.225 -8.806 434 1HD ARG 55 2HD ARG 55 -5.745 -10.781 -9.810 435 2HD ARG 55 1HD ARG 55 -5.100 -12.319 -10.386 436 HE ARG 55 HE ARG 55 -4.809 -12.127 -7.575 437 1HH1 ARG 55 1HH1 ARG 55 -7.290 -12.566 -10.016 438 2HH1 ARG 55 2HH1 ARG 55 -8.266 -13.591 -9.008 439 1HH2 ARG 55 1HH2 ARG 55 -6.088 -13.456 -6.264 440 2HH2 ARG 55 2HH2 ARG 55 -7.598 -14.085 -6.860 441 H GLN 56 H GLN 56 -2.309 -7.856 -12.276 442 HA GLN 56 HA GLN 56 -0.227 -8.302 -14.233 443 1HB GLN 56 2HB GLN 56 -2.240 -9.479 -15.142 444 2HB GLN 56 1HB GLN 56 -3.103 -7.946 -15.109 445 1HG GLN 56 2HG GLN 56 -1.328 -7.027 -16.625 446 2HG GLN 56 1HG GLN 56 -0.712 -8.672 -16.780 447 1HE2 GLN 56 1HE2 GLN 56 -1.933 -10.211 -17.889 448 2HE2 GLN 56 2HE2 GLN 56 -3.228 -9.757 -18.950 449 H THR 57 H THR 57 -2.798 -6.333 -12.896 450 HA THR 57 HA THR 57 -2.266 -3.950 -14.296 451 HB THR 57 HB THR 57 -3.405 -4.034 -11.515 452 HG1 THR 57 1HG THR 57 -5.089 -4.503 -13.720 453 1HG2 THR 57 1HG2 THR 57 -4.109 -2.455 -13.991 454 2HG2 THR 57 2HG2 THR 57 -3.189 -1.858 -12.610 455 3HG2 THR 57 3HG2 THR 57 -4.886 -2.297 -12.415 456 H SER 58 H SER 58 -0.824 -2.362 -13.926 457 HA SER 58 HA SER 58 1.025 -2.663 -11.688 458 1HB SER 58 2HB SER 58 1.214 -0.678 -13.948 459 2HB SER 58 1HB SER 58 2.502 -1.226 -12.877 460 HG SER 58 HG SER 58 1.716 -3.410 -13.906 461 H LEU 59 H LEU 59 1.096 -1.284 -10.043 462 HA LEU 59 HA LEU 59 -0.759 1.003 -10.094 463 1HB LEU 59 2HB LEU 59 -0.009 -0.825 -7.816 464 2HB LEU 59 1HB LEU 59 -0.761 0.733 -7.556 465 HG LEU 59 HG LEU 59 -2.667 -0.098 -9.031 466 1HD1 LEU 59 1HD1 LEU 59 -1.493 -1.998 -10.027 467 2HD1 LEU 59 2HD1 LEU 59 -2.959 -2.505 -9.188 468 3HD1 LEU 59 3HD1 LEU 59 -1.382 -2.761 -8.440 469 1HD2 LEU 59 1HD2 LEU 59 -2.128 -1.421 -6.376 470 2HD2 LEU 59 2HD2 LEU 59 -3.702 -1.314 -7.165 471 3HD2 LEU 59 3HD2 LEU 59 -2.879 0.153 -6.633 472 H ALA 60 H ALA 60 -0.101 2.929 -9.173 473 HA ALA 60 HA ALA 60 2.594 3.107 -8.067 474 1HB ALA 60 1HB ALA 60 3.198 4.978 -9.523 475 2HB ALA 60 2HB ALA 60 1.684 4.784 -10.407 476 3HB ALA 60 3HB ALA 60 2.906 3.512 -10.459 477 H LEU 61 H LEU 61 2.298 4.088 -6.183 478 HA LEU 61 HA LEU 61 0.520 6.414 -6.055 479 1HB LEU 61 2HB LEU 61 -0.236 5.570 -3.789 480 2HB LEU 61 1HB LEU 61 -0.881 4.739 -5.187 481 HG LEU 61 HG LEU 61 1.133 3.107 -4.730 482 1HD1 LEU 61 1HD1 LEU 61 2.125 4.407 -2.940 483 2HD1 LEU 61 2HD1 LEU 61 1.584 2.834 -2.354 484 3HD1 LEU 61 3HD1 LEU 61 0.634 4.278 -2.008 485 1HD2 LEU 61 1HD2 LEU 61 -1.218 2.476 -4.717 486 2HD2 LEU 61 2HD2 LEU 61 -1.387 3.113 -3.080 487 3HD2 LEU 61 3HD2 LEU 61 -0.352 1.716 -3.384 488 H ARG 62 H ARG 62 0.966 7.856 -4.293 489 HA ARG 62 HA ARG 62 3.738 8.344 -4.053 490 1HB ARG 62 2HB ARG 62 1.300 9.558 -2.809 491 2HB ARG 62 1HB ARG 62 2.897 10.025 -2.248 492 1HG ARG 62 2HG ARG 62 2.051 10.197 -5.121 493 2HG ARG 62 1HG ARG 62 1.847 11.509 -3.962 494 1HD ARG 62 2HD ARG 62 4.269 11.495 -3.551 495 2HD ARG 62 1HD ARG 62 4.452 10.230 -4.764 496 HE ARG 62 HE ARG 62 3.173 12.215 -6.103 497 1HH1 ARG 62 1HH1 ARG 62 6.157 12.054 -4.251 498 2HH1 ARG 62 2HH1 ARG 62 6.892 13.368 -5.117 499 1HH2 ARG 62 1HH2 ARG 62 4.167 13.918 -7.238 500 2HH2 ARG 62 2HH2 ARG 62 5.785 14.418 -6.818 501 H ARG 63 H ARG 63 4.811 8.803 -1.963 502 HA ARG 63 HA ARG 63 4.754 6.417 -0.357 503 1HB ARG 63 2HB ARG 63 6.463 8.878 -0.379 504 2HB ARG 63 1HB ARG 63 6.506 7.796 1.009 505 1HG ARG 63 2HG ARG 63 7.022 5.924 -0.563 506 2HG ARG 63 1HG ARG 63 7.168 7.121 -1.848 507 1HD ARG 63 2HD ARG 63 8.773 7.237 0.692 508 2HD ARG 63 1HD ARG 63 9.322 6.391 -0.751 509 HE ARG 63 HE ARG 63 8.581 9.073 -1.338 510 1HH1 ARG 63 1HH1 ARG 63 11.129 7.157 0.108 511 2HH1 ARG 63 2HH1 ARG 63 12.388 8.276 -0.326 512 1HH2 ARG 63 1HH2 ARG 63 10.233 10.535 -1.939 513 2HH2 ARG 63 2HH2 ARG 63 11.879 10.205 -1.459 514 H LYS 64 H LYS 64 3.709 9.738 -0.034 515 HA LYS 64 HA LYS 64 2.937 9.749 2.645 516 1HB LYS 64 2HB LYS 64 1.616 11.060 0.265 517 2HB LYS 64 1HB LYS 64 1.245 11.432 1.939 518 1HG LYS 64 2HG LYS 64 3.509 12.231 2.286 519 2HG LYS 64 1HG LYS 64 3.920 11.819 0.619 520 1HD LYS 64 2HD LYS 64 3.418 14.218 0.911 521 2HD LYS 64 1HD LYS 64 2.311 13.426 -0.212 522 1HE LYS 64 2HE LYS 64 0.644 13.237 1.570 523 2HE LYS 64 1HE LYS 64 1.750 14.027 2.691 524 1HZ LYS 64 1HZ LYS 64 0.090 15.551 1.784 525 2HZ LYS 64 2HZ LYS 64 0.666 15.263 0.216 526 3HZ LYS 64 3HZ LYS 64 1.665 16.015 1.357 527 H ASP 65 H ASP 65 1.284 8.532 -0.211 528 HA ASP 65 HA ASP 65 -1.114 7.790 1.177 529 1HB ASP 65 2HB ASP 65 -0.928 8.323 -1.299 530 2HB ASP 65 1HB ASP 65 -0.130 6.765 -1.491 531 H LEU 66 H LEU 66 1.812 6.187 0.080 532 HA LEU 66 HA LEU 66 1.104 3.550 0.748 533 1HB LEU 66 2HB LEU 66 3.025 4.305 -0.691 534 2HB LEU 66 1HB LEU 66 3.872 4.745 0.777 535 HG LEU 66 HG LEU 66 3.767 2.375 1.511 536 1HD1 LEU 66 1HD1 LEU 66 1.786 1.697 0.265 537 2HD1 LEU 66 2HD1 LEU 66 3.160 0.662 -0.123 538 3HD1 LEU 66 3HD1 LEU 66 2.657 1.916 -1.255 539 1HD2 LEU 66 1HD2 LEU 66 5.760 3.201 0.416 540 2HD2 LEU 66 2HD2 LEU 66 5.048 2.897 -1.169 541 3HD2 LEU 66 3HD2 LEU 66 5.438 1.546 -0.103 542 H ALA 67 H ALA 67 2.244 6.224 2.634 543 HA ALA 67 HA ALA 67 3.142 4.799 4.902 544 1HB ALA 67 1HB ALA 67 3.743 7.140 4.452 545 2HB ALA 67 2HB ALA 67 3.051 6.926 6.060 546 3HB ALA 67 3HB ALA 67 2.073 7.616 4.765 547 H LEU 68 H LEU 68 -0.016 5.509 3.723 548 HA LEU 68 HA LEU 68 -1.378 5.342 6.237 549 1HB LEU 68 2HB LEU 68 -2.385 4.944 3.420 550 2HB LEU 68 1HB LEU 68 -3.408 5.038 4.840 551 HG LEU 68 HG LEU 68 -1.648 7.258 3.793 552 1HD1 LEU 68 1HD1 LEU 68 -4.645 6.931 3.763 553 2HD1 LEU 68 2HD1 LEU 68 -3.576 6.829 2.364 554 3HD1 LEU 68 3HD1 LEU 68 -3.756 8.356 3.229 555 1HD2 LEU 68 1HD2 LEU 68 -2.780 8.638 5.475 556 2HD2 LEU 68 2HD2 LEU 68 -1.847 7.337 6.213 557 3HD2 LEU 68 3HD2 LEU 68 -3.601 7.204 6.090 558 H LEU 69 H LEU 69 -0.129 3.080 3.972 559 HA LEU 69 HA LEU 69 -1.637 0.860 5.144 560 1HB LEU 69 2HB LEU 69 0.273 0.892 2.802 561 2HB LEU 69 1HB LEU 69 -0.689 -0.476 3.320 562 HG LEU 69 HG LEU 69 -1.831 2.115 2.272 563 1HD1 LEU 69 1HD1 LEU 69 -0.575 0.896 0.557 564 2HD1 LEU 69 2HD1 LEU 69 -2.310 0.867 0.239 565 3HD1 LEU 69 3HD1 LEU 69 -1.511 -0.556 0.908 566 1HD2 LEU 69 1HD2 LEU 69 -3.915 0.819 2.130 567 2HD2 LEU 69 2HD2 LEU 69 -3.335 0.955 3.789 568 3HD2 LEU 69 3HD2 LEU 69 -3.105 -0.548 2.895 569 H THR 70 H THR 70 -0.718 -0.491 6.590 570 HA THR 70 HA THR 70 2.119 -0.172 7.155 571 HB THR 70 HB THR 70 0.151 -2.004 8.507 572 HG1 THR 70 1HG THR 70 0.232 0.637 8.550 573 1HG2 THR 70 1HG2 THR 70 1.769 -1.967 10.348 574 2HG2 THR 70 2HG2 THR 70 2.841 -0.957 9.377 575 3HG2 THR 70 3HG2 THR 70 2.486 -2.609 8.870 576 H LEU 71 H LEU 71 3.540 -1.342 6.115 577 HA LEU 71 HA LEU 71 2.610 -3.747 4.701 578 1HB LEU 71 2HB LEU 71 4.890 -1.901 3.998 579 2HB LEU 71 1HB LEU 71 4.363 -3.285 3.065 580 HG LEU 71 HG LEU 71 2.763 -0.768 3.533 581 1HD1 LEU 71 1HD1 LEU 71 3.132 -0.405 1.128 582 2HD1 LEU 71 2HD1 LEU 71 4.198 -1.810 1.095 583 3HD1 LEU 71 3HD1 LEU 71 4.636 -0.392 2.048 584 1HD2 LEU 71 1HD2 LEU 71 1.334 -2.733 3.332 585 2HD2 LEU 71 2HD2 LEU 71 2.161 -3.191 1.844 586 3HD2 LEU 71 3HD2 LEU 71 1.206 -1.709 1.900 587 H VAL 72 H VAL 72 3.748 -5.576 4.782 588 HA VAL 72 HA VAL 72 6.421 -5.549 5.984 589 HB VAL 72 HB VAL 72 5.874 -7.816 7.020 590 1HG1 VAL 72 1HG1 VAL 72 4.495 -5.377 8.139 591 2HG1 VAL 72 2HG1 VAL 72 6.193 -5.797 8.362 592 3HG1 VAL 72 3HG1 VAL 72 4.933 -6.820 9.053 593 1HG2 VAL 72 1HG2 VAL 72 3.542 -8.257 7.580 594 2HG2 VAL 72 2HG2 VAL 72 3.759 -8.202 5.829 595 3HG2 VAL 72 3HG2 VAL 72 3.043 -6.829 6.674 596 HA PRO 73 HA PRO 73 7.157 -7.720 2.212 597 1HB PRO 73 2HB PRO 73 9.699 -8.655 3.265 598 2HB PRO 73 1HB PRO 73 9.393 -7.442 2.022 599 1HG PRO 73 2HG PRO 73 10.394 -6.845 4.492 600 2HG PRO 73 1HG PRO 73 9.441 -5.711 3.518 601 1HD PRO 73 2HD PRO 73 8.601 -7.385 5.845 602 2HD PRO 73 1HD PRO 73 8.128 -5.726 5.415 603 H LEU 74 H LEU 74 7.457 -9.866 1.368 604 HA LEU 74 HA LEU 74 6.773 -12.006 3.179 605 1HB LEU 74 2HB LEU 74 7.429 -11.951 0.233 606 2HB LEU 74 1HB LEU 74 6.984 -13.397 1.107 607 HG LEU 74 HG LEU 74 5.230 -10.979 0.681 608 1HD1 LEU 74 1HD1 LEU 74 5.524 -12.347 -1.320 609 2HD1 LEU 74 2HD1 LEU 74 3.886 -12.486 -0.682 610 3HD1 LEU 74 3HD1 LEU 74 5.051 -13.782 -0.412 611 1HD2 LEU 74 1HD2 LEU 74 3.473 -12.317 1.738 612 2HD2 LEU 74 2HD2 LEU 74 4.803 -11.997 2.852 613 3HD2 LEU 74 3HD2 LEU 74 4.651 -13.582 2.091 614 H ASP 75 H ASP 75 9.490 -10.855 1.323 615 HA ASP 75 HA ASP 75 11.325 -11.655 3.324 616 1HB ASP 75 2HB ASP 75 11.143 -13.827 2.153 617 2HB ASP 75 1HB ASP 75 11.598 -13.035 0.645 Start of MODEL 4 1 HA MET 1 HA MET 1 8.400 2.329 -20.379 2 1HB MET 1 2HB MET 1 8.719 0.883 -22.994 3 2HB MET 1 1HB MET 1 7.182 0.888 -22.141 4 1HG MET 1 2HG MET 1 8.684 3.310 -23.108 5 2HG MET 1 1HG MET 1 7.254 2.600 -23.858 6 1HE MET 1 1HE MET 1 5.753 4.678 -23.841 7 2HE MET 1 2HE MET 1 7.167 5.597 -23.322 8 3HE MET 1 3HE MET 1 5.627 5.797 -22.485 9 H SER 2 H SER 2 9.558 -0.781 -21.694 10 HA SER 2 HA SER 2 7.914 -2.121 -19.690 11 1HB SER 2 2HB SER 2 9.323 -3.297 -22.095 12 2HB SER 2 1HB SER 2 8.075 -4.066 -21.119 13 HG SER 2 HG SER 2 6.737 -2.168 -21.772 14 H ALA 3 H ALA 3 10.048 -1.076 -18.438 15 HA ALA 3 HA ALA 3 12.062 -3.146 -18.135 16 1HB ALA 3 1HB ALA 3 12.724 -0.804 -17.920 17 2HB ALA 3 2HB ALA 3 13.020 -1.694 -16.427 18 3HB ALA 3 3HB ALA 3 11.630 -0.615 -16.548 19 H LEU 4 H LEU 4 11.102 -4.964 -17.310 20 HA LEU 4 HA LEU 4 9.538 -4.619 -14.846 21 1HB LEU 4 2HB LEU 4 8.166 -5.415 -16.702 22 2HB LEU 4 1HB LEU 4 9.271 -6.749 -16.965 23 HG LEU 4 HG LEU 4 8.686 -7.641 -14.732 24 1HD1 LEU 4 1HD1 LEU 4 6.758 -6.756 -13.545 25 2HD1 LEU 4 2HD1 LEU 4 6.604 -5.461 -14.732 26 3HD1 LEU 4 3HD1 LEU 4 8.020 -5.530 -13.682 27 1HD2 LEU 4 1HD2 LEU 4 6.469 -8.444 -15.345 28 2HD2 LEU 4 2HD2 LEU 4 7.555 -8.453 -16.734 29 3HD2 LEU 4 3HD2 LEU 4 6.343 -7.183 -16.571 30 H GLN 5 H GLN 5 11.243 -4.834 -13.441 31 HA GLN 5 HA GLN 5 12.096 -7.615 -13.084 32 1HB GLN 5 2HB GLN 5 13.873 -5.185 -12.754 33 2HB GLN 5 1HB GLN 5 14.295 -6.804 -12.218 34 1HG GLN 5 2HG GLN 5 13.760 -5.984 -15.062 35 2HG GLN 5 1HG GLN 5 15.350 -6.228 -14.343 36 1HE2 GLN 5 1HE2 GLN 5 14.580 -8.539 -12.792 37 2HE2 GLN 5 2HE2 GLN 5 14.366 -9.842 -13.914 38 HA PRO 6 HA PRO 6 9.916 -6.085 -9.369 39 1HB PRO 6 2HB PRO 6 9.077 -8.572 -8.606 40 2HB PRO 6 1HB PRO 6 8.199 -7.552 -9.750 41 1HG PRO 6 2HG PRO 6 10.041 -9.846 -10.282 42 2HG PRO 6 1HG PRO 6 8.513 -9.426 -11.077 43 1HD PRO 6 2HD PRO 6 10.920 -8.882 -12.183 44 2HD PRO 6 1HD PRO 6 9.500 -7.844 -12.429 45 H SER 7 H SER 7 10.810 -5.877 -7.392 46 HA SER 7 HA SER 7 13.247 -7.317 -6.850 47 1HB SER 7 2HB SER 7 13.013 -4.886 -6.336 48 2HB SER 7 1HB SER 7 11.814 -5.290 -5.109 49 HG SER 7 HG SER 7 14.343 -6.526 -5.023 50 H ARG 8 H ARG 8 10.662 -6.650 -4.487 51 HA ARG 8 HA ARG 8 10.399 -9.532 -4.075 52 1HB ARG 8 2HB ARG 8 11.171 -7.503 -2.016 53 2HB ARG 8 1HB ARG 8 10.197 -8.888 -1.541 54 1HG ARG 8 2HG ARG 8 12.311 -9.656 -1.136 55 2HG ARG 8 1HG ARG 8 12.036 -10.264 -2.765 56 1HD ARG 8 2HD ARG 8 14.198 -9.366 -2.812 57 2HD ARG 8 1HD ARG 8 13.186 -8.133 -3.565 58 HE ARG 8 HE ARG 8 13.259 -6.932 -1.428 59 1HH1 ARG 8 1HH1 ARG 8 15.725 -9.324 -2.133 60 2HH1 ARG 8 2HH1 ARG 8 16.823 -8.731 -0.920 61 1HH2 ARG 8 1HH2 ARG 8 14.729 -6.142 0.166 62 2HH2 ARG 8 2HH2 ARG 8 16.265 -6.941 0.367 63 H SER 9 H SER 9 8.573 -9.782 -2.230 64 HA SER 9 HA SER 9 6.297 -8.234 -3.288 65 1HB SER 9 2HB SER 9 6.193 -11.034 -2.160 66 2HB SER 9 1HB SER 9 4.938 -10.192 -3.070 67 HG SER 9 HG SER 9 7.503 -10.836 -4.094 68 H TYR 10 H TYR 10 4.845 -7.369 -1.880 69 HA TYR 10 HA TYR 10 5.460 -7.681 0.990 70 1HB TYR 10 2HB TYR 10 4.364 -5.204 -0.372 71 2HB TYR 10 1HB TYR 10 4.822 -5.356 1.319 72 HD1 TYR 10 1HD TYR 10 7.049 -4.971 2.008 73 HD2 TYR 10 2HD TYR 10 6.157 -5.313 -2.140 74 HE1 TYR 10 1HE TYR 10 9.305 -4.165 1.460 75 HE2 TYR 10 2HE TYR 10 8.413 -4.513 -2.699 76 HH TYR 10 HH TYR 10 10.869 -4.079 -0.261 77 H ARG 11 H ARG 11 3.777 -8.270 2.253 78 HA ARG 11 HA ARG 11 1.130 -8.429 1.002 79 1HB ARG 11 2HB ARG 11 0.554 -9.760 3.092 80 2HB ARG 11 1HB ARG 11 1.677 -10.507 1.968 81 1HG ARG 11 2HG ARG 11 3.524 -10.078 3.374 82 2HG ARG 11 1HG ARG 11 2.588 -8.971 4.380 83 1HD ARG 11 2HD ARG 11 2.989 -11.221 5.393 84 2HD ARG 11 1HD ARG 11 1.293 -10.753 5.278 85 HE ARG 11 HE ARG 11 1.594 -12.169 3.040 86 1HH1 ARG 11 1HH1 ARG 11 2.725 -12.857 6.274 87 2HH1 ARG 11 2HH1 ARG 11 2.458 -14.573 6.146 88 1HH2 ARG 11 1HH2 ARG 11 1.268 -14.410 2.838 89 2HH2 ARG 11 2HH2 ARG 11 1.648 -15.463 4.177 90 H ILE 12 H ILE 12 -0.699 -7.597 1.995 91 HA ILE 12 HA ILE 12 -0.131 -5.186 3.550 92 HB ILE 12 HB ILE 12 -2.806 -6.050 2.436 93 1HG1 ILE 12 2HG1 ILE 12 -0.718 -4.317 1.092 94 2HG1 ILE 12 1HG1 ILE 12 -1.129 -5.959 0.618 95 1HG2 ILE 12 1HG2 ILE 12 -3.331 -3.665 2.540 96 2HG2 ILE 12 2HG2 ILE 12 -1.726 -3.341 3.196 97 3HG2 ILE 12 3HG2 ILE 12 -2.880 -4.297 4.124 98 1HD1 ILE 12 1HD1 ILE 12 -3.386 -5.237 0.051 99 2HD1 ILE 12 2HD1 ILE 12 -2.169 -4.327 -0.846 100 3HD1 ILE 12 3HD1 ILE 12 -2.980 -3.590 0.536 101 H THR 13 H THR 13 -0.185 -5.388 5.717 102 HA THR 13 HA THR 13 -1.817 -7.434 6.957 103 HB THR 13 HB THR 13 -0.908 -6.410 9.108 104 HG1 THR 13 1HG THR 13 0.559 -4.838 8.974 105 1HG2 THR 13 1HG2 THR 13 1.315 -7.425 8.803 106 2HG2 THR 13 2HG2 THR 13 1.038 -7.476 7.062 107 3HG2 THR 13 3HG2 THR 13 0.028 -8.436 8.143 108 H GLY 14 H GLY 14 -1.997 -4.060 6.217 109 1HA GLY 14 2HA GLY 14 -4.690 -3.806 6.497 110 2HA GLY 14 1HA GLY 14 -4.081 -3.495 8.116 111 H TYR 15 H TYR 15 -4.754 -1.370 8.093 112 HA TYR 15 HA TYR 15 -3.441 0.389 6.138 113 1HB TYR 15 2HB TYR 15 -5.796 0.963 7.953 114 2HB TYR 15 1HB TYR 15 -5.139 2.047 6.730 115 HD1 TYR 15 1HD TYR 15 -7.064 -1.036 7.297 116 HD2 TYR 15 2HD TYR 15 -5.616 1.720 4.393 117 HE1 TYR 15 1HE TYR 15 -8.573 -2.014 5.623 118 HE2 TYR 15 2HE TYR 15 -7.122 0.747 2.713 119 HH TYR 15 HH TYR 15 -8.308 -1.327 2.291 120 H SER 16 H SER 16 -2.686 2.489 7.002 121 HA SER 16 HA SER 16 -0.923 2.327 9.116 122 1HB SER 16 2HB SER 16 -0.947 4.145 7.436 123 2HB SER 16 1HB SER 16 -2.402 4.802 8.188 124 HG SER 16 HG SER 16 0.215 5.034 8.933 125 HA PRO 17 HA PRO 17 -3.578 2.246 12.703 126 1HB PRO 17 2HB PRO 17 -1.170 3.076 14.183 127 2HB PRO 17 1HB PRO 17 -2.134 1.605 14.341 128 1HG PRO 17 2HG PRO 17 0.319 1.560 13.263 129 2HG PRO 17 1HG PRO 17 -0.981 0.506 12.677 130 1HD PRO 17 2HD PRO 17 0.060 3.059 11.495 131 2HD PRO 17 1HD PRO 17 -0.392 1.545 10.682 132 H ALA 18 H ALA 18 -2.044 4.921 11.373 133 HA ALA 18 HA ALA 18 -3.444 6.736 13.229 134 1HB ALA 18 1HB ALA 18 -1.022 6.960 13.445 135 2HB ALA 18 2HB ALA 18 -1.723 8.419 12.743 136 3HB ALA 18 3HB ALA 18 -0.884 7.257 11.712 137 H ILE 19 H ILE 19 -4.326 5.404 10.700 138 HA ILE 19 HA ILE 19 -4.471 7.431 8.691 139 HB ILE 19 HB ILE 19 -4.711 4.966 8.243 140 1HG1 ILE 19 2HG1 ILE 19 -7.039 6.636 7.257 141 2HG1 ILE 19 1HG1 ILE 19 -5.395 6.752 6.627 142 1HG2 ILE 19 1HG2 ILE 19 -6.184 4.378 10.081 143 2HG2 ILE 19 2HG2 ILE 19 -6.925 3.948 8.540 144 3HG2 ILE 19 3HG2 ILE 19 -7.462 5.388 9.403 145 1HD1 ILE 19 1HD1 ILE 19 -7.150 4.305 6.541 146 2HD1 ILE 19 2HD1 ILE 19 -5.512 4.431 5.899 147 3HD1 ILE 19 3HD1 ILE 19 -6.811 5.391 5.192 148 H SER 20 H SER 20 -6.454 8.577 8.047 149 HA SER 20 HA SER 20 -8.163 9.129 10.373 150 1HB SER 20 2HB SER 20 -6.310 10.769 10.252 151 2HB SER 20 1HB SER 20 -6.834 11.219 8.631 152 HG SER 20 HG SER 20 -8.510 12.269 9.436 153 H ASN 21 H ASN 21 -10.137 10.192 9.923 154 HA ASN 21 HA ASN 21 -12.020 10.743 8.828 155 1HB ASN 21 2HB ASN 21 -10.172 11.027 6.454 156 2HB ASN 21 1HB ASN 21 -11.858 11.536 6.472 157 1HD2 ASN 21 1HD2 ASN 21 -12.453 13.339 7.623 158 2HD2 ASN 21 2HD2 ASN 21 -11.305 14.468 8.264 159 H GLY 22 H GLY 22 -11.141 9.577 5.738 160 1HA GLY 22 2HA GLY 22 -12.362 6.970 6.219 161 2HA GLY 22 1HA GLY 22 -13.223 8.071 5.151 162 H TYR 23 H TYR 23 -9.740 8.023 5.287 163 HA TYR 23 HA TYR 23 -9.550 7.612 2.493 164 1HB TYR 23 2HB TYR 23 -7.847 8.725 4.182 165 2HB TYR 23 1HB TYR 23 -7.212 7.086 4.303 166 HD1 TYR 23 1HD TYR 23 -6.942 10.116 2.557 167 HD2 TYR 23 2HD TYR 23 -6.814 5.910 1.952 168 HE1 TYR 23 1HE TYR 23 -5.691 10.458 0.464 169 HE2 TYR 23 2HE TYR 23 -5.562 6.239 -0.133 170 HH TYR 23 HH TYR 23 -3.905 8.457 -0.979 171 H ARG 24 H ARG 24 -9.527 5.507 5.272 172 HA ARG 24 HA ARG 24 -8.531 3.147 4.176 173 1HB ARG 24 2HB ARG 24 -9.209 3.504 6.569 174 2HB ARG 24 1HB ARG 24 -10.888 3.393 6.063 175 1HG ARG 24 2HG ARG 24 -9.936 1.119 5.009 176 2HG ARG 24 1HG ARG 24 -8.868 1.285 6.399 177 1HD ARG 24 2HD ARG 24 -11.883 1.278 6.463 178 2HD ARG 24 1HD ARG 24 -10.837 -0.058 6.933 179 HE ARG 24 HE ARG 24 -10.342 2.382 8.384 180 1HH1 ARG 24 1HH1 ARG 24 -12.218 -0.582 8.259 181 2HH1 ARG 24 2HH1 ARG 24 -12.610 -0.550 9.951 182 1HH2 ARG 24 1HH2 ARG 24 -10.858 2.427 10.592 183 2HH2 ARG 24 2HH2 ARG 24 -11.846 1.165 11.282 184 H GLN 25 H GLN 25 -11.760 4.561 4.000 185 HA GLN 25 HA GLN 25 -12.959 2.364 2.691 186 1HB GLN 25 2HB GLN 25 -13.773 5.259 2.861 187 2HB GLN 25 1HB GLN 25 -14.791 3.966 2.270 188 1HG GLN 25 2HG GLN 25 -13.669 4.170 5.051 189 2HG GLN 25 1HG GLN 25 -15.324 4.558 4.576 190 1HE2 GLN 25 1HE2 GLN 25 -13.011 2.014 5.073 191 2HE2 GLN 25 2HE2 GLN 25 -14.138 0.701 5.080 192 H ARG 26 H ARG 26 -11.379 5.301 1.601 193 HA ARG 26 HA ARG 26 -11.893 5.040 -1.151 194 1HB ARG 26 2HB ARG 26 -10.890 7.063 -0.184 195 2HB ARG 26 1HB ARG 26 -9.447 6.155 0.242 196 1HG ARG 26 2HG ARG 26 -8.803 7.237 -1.685 197 2HG ARG 26 1HG ARG 26 -9.295 5.653 -2.287 198 1HD ARG 26 2HD ARG 26 -10.318 7.107 -3.779 199 2HD ARG 26 1HD ARG 26 -11.607 6.770 -2.623 200 HE ARG 26 HE ARG 26 -10.025 9.097 -1.988 201 1HH1 ARG 26 1HH1 ARG 26 -12.853 7.895 -3.672 202 2HH1 ARG 26 2HH1 ARG 26 -13.601 9.457 -3.786 203 1HH2 ARG 26 1HH2 ARG 26 -11.001 11.137 -2.131 204 2HH2 ARG 26 2HH2 ARG 26 -12.539 11.310 -2.925 205 H LEU 27 H LEU 27 -9.291 3.824 0.893 206 HA LEU 27 HA LEU 27 -7.813 2.582 -1.184 207 1HB LEU 27 2HB LEU 27 -7.862 2.140 1.801 208 2HB LEU 27 1HB LEU 27 -6.699 1.390 0.727 209 HG LEU 27 HG LEU 27 -7.022 4.368 1.079 210 1HD1 LEU 27 1HD1 LEU 27 -6.210 3.346 3.129 211 2HD1 LEU 27 2HD1 LEU 27 -4.926 4.258 2.334 212 3HD1 LEU 27 3HD1 LEU 27 -4.956 2.497 2.223 213 1HD2 LEU 27 1HD2 LEU 27 -4.922 4.514 -0.133 214 2HD2 LEU 27 2HD2 LEU 27 -6.143 3.691 -1.104 215 3HD2 LEU 27 3HD2 LEU 27 -4.880 2.757 -0.301 216 H PHE 28 H PHE 28 -10.220 1.427 1.091 217 HA PHE 28 HA PHE 28 -10.171 -1.303 0.506 218 1HB PHE 28 2HB PHE 28 -11.390 -0.061 2.376 219 2HB PHE 28 1HB PHE 28 -12.651 0.272 1.201 220 HD1 PHE 28 1HD PHE 28 -10.971 -2.340 3.145 221 HD2 PHE 28 2HD PHE 28 -14.177 -1.431 0.501 222 HE1 PHE 28 1HE PHE 28 -12.015 -4.500 3.679 223 HE2 PHE 28 2HE PHE 28 -15.232 -3.590 1.034 224 HZ PHE 28 HZ PHE 28 -14.149 -5.128 2.627 225 H SER 29 H SER 29 -12.068 1.329 -0.894 226 HA SER 29 HA SER 29 -13.539 -0.228 -2.730 227 1HB SER 29 2HB SER 29 -12.757 2.693 -2.894 228 2HB SER 29 1HB SER 29 -14.035 1.920 -3.827 229 HG SER 29 HG SER 29 -13.917 2.276 -1.010 230 H MET 30 H MET 30 -10.397 1.298 -2.864 231 HA MET 30 HA MET 30 -9.999 0.937 -5.671 232 1HB MET 30 2HB MET 30 -8.098 1.535 -3.408 233 2HB MET 30 1HB MET 30 -7.575 1.393 -5.077 234 1HG MET 30 2HG MET 30 -9.666 3.346 -4.161 235 2HG MET 30 1HG MET 30 -7.951 3.724 -4.222 236 1HE MET 30 1HE MET 30 -10.487 1.823 -6.665 237 2HE MET 30 2HE MET 30 -10.739 3.111 -7.847 238 3HE MET 30 3HE MET 30 -11.264 3.329 -6.180 239 H GLY 31 H GLY 31 -9.741 -1.112 -2.938 240 1HA GLY 31 2HA GLY 31 -9.605 -3.492 -3.296 241 2HA GLY 31 1HA GLY 31 -8.548 -3.183 -4.665 242 H LEU 32 H LEU 32 -7.823 -1.182 -2.066 243 HA LEU 32 HA LEU 32 -5.502 -2.846 -1.405 244 1HB LEU 32 2HB LEU 32 -6.053 0.071 -0.839 245 2HB LEU 32 1HB LEU 32 -4.583 -0.781 -0.407 246 HG LEU 32 HG LEU 32 -5.554 -0.331 -3.231 247 1HD1 LEU 32 1HD1 LEU 32 -4.843 1.743 -2.140 248 2HD1 LEU 32 2HD1 LEU 32 -3.727 1.255 -3.414 249 3HD1 LEU 32 3HD1 LEU 32 -3.306 0.991 -1.722 250 1HD2 LEU 32 1HD2 LEU 32 -4.249 -2.381 -2.977 251 2HD2 LEU 32 2HD2 LEU 32 -2.963 -1.467 -2.186 252 3HD2 LEU 32 3HD2 LEU 32 -3.353 -1.158 -3.878 253 H LEU 33 H LEU 33 -6.174 -4.247 0.107 254 HA LEU 33 HA LEU 33 -7.115 -3.167 2.636 255 1HB LEU 33 2HB LEU 33 -8.822 -5.088 2.671 256 2HB LEU 33 1HB LEU 33 -9.205 -3.655 1.741 257 HG LEU 33 HG LEU 33 -8.257 -4.985 -0.273 258 1HD1 LEU 33 1HD1 LEU 33 -8.532 -7.403 -0.107 259 2HD1 LEU 33 2HD1 LEU 33 -8.874 -7.246 1.615 260 3HD1 LEU 33 3HD1 LEU 33 -7.282 -6.816 0.992 261 1HD2 LEU 33 1HD2 LEU 33 -10.586 -4.349 -0.039 262 2HD2 LEU 33 2HD2 LEU 33 -10.874 -5.741 1.006 263 3HD2 LEU 33 3HD2 LEU 33 -10.446 -5.985 -0.687 264 HA PRO 34 HA PRO 34 -4.489 -6.185 4.508 265 1HB PRO 34 2HB PRO 34 -6.123 -7.254 6.459 266 2HB PRO 34 1HB PRO 34 -5.238 -5.735 6.615 267 1HG PRO 34 2HG PRO 34 -8.101 -6.198 5.914 268 2HG PRO 34 1HG PRO 34 -7.385 -4.931 6.926 269 1HD PRO 34 2HD PRO 34 -8.179 -4.451 4.398 270 2HD PRO 34 1HD PRO 34 -6.759 -3.651 5.102 271 H GLY 35 H GLY 35 -3.918 -8.191 3.938 272 1HA GLY 35 2HA GLY 35 -4.502 -10.567 3.879 273 2HA GLY 35 1HA GLY 35 -6.072 -10.094 3.244 274 H ALA 36 H ALA 36 -4.460 -8.021 1.603 275 HA ALA 36 HA ALA 36 -4.033 -9.810 -0.636 276 1HB ALA 36 1HB ALA 36 -4.018 -7.778 -1.995 277 2HB ALA 36 2HB ALA 36 -4.137 -6.795 -0.535 278 3HB ALA 36 3HB ALA 36 -5.465 -7.862 -0.992 279 H ALA 37 H ALA 37 -2.252 -8.696 -2.130 280 HA ALA 37 HA ALA 37 0.166 -8.093 -0.648 281 1HB ALA 37 1HB ALA 37 0.117 -10.549 -0.650 282 2HB ALA 37 2HB ALA 37 1.446 -9.926 -1.629 283 3HB ALA 37 3HB ALA 37 -0.011 -10.541 -2.408 284 H LEU 38 H LEU 38 1.840 -7.267 -1.964 285 HA LEU 38 HA LEU 38 1.051 -6.631 -4.731 286 1HB LEU 38 2HB LEU 38 2.383 -4.742 -2.791 287 2HB LEU 38 1HB LEU 38 2.010 -4.397 -4.464 288 HG LEU 38 HG LEU 38 -0.072 -4.956 -2.353 289 1HD1 LEU 38 1HD1 LEU 38 -0.517 -2.545 -2.431 290 2HD1 LEU 38 2HD1 LEU 38 0.871 -2.331 -3.499 291 3HD1 LEU 38 3HD1 LEU 38 1.110 -2.895 -1.846 292 1HD2 LEU 38 1HD2 LEU 38 -0.801 -5.499 -4.604 293 2HD2 LEU 38 2HD2 LEU 38 -0.277 -3.914 -5.174 294 3HD2 LEU 38 3HD2 LEU 38 -1.613 -4.042 -4.030 295 H ARG 39 H ARG 39 2.593 -6.808 -6.208 296 HA ARG 39 HA ARG 39 5.265 -7.662 -5.361 297 1HB ARG 39 2HB ARG 39 4.283 -9.148 -6.949 298 2HB ARG 39 1HB ARG 39 3.747 -7.821 -7.966 299 1HG ARG 39 2HG ARG 39 6.107 -7.321 -8.499 300 2HG ARG 39 1HG ARG 39 6.589 -8.727 -7.548 301 1HD ARG 39 2HD ARG 39 4.671 -8.902 -9.857 302 2HD ARG 39 1HD ARG 39 6.414 -9.058 -10.055 303 HE ARG 39 HE ARG 39 5.965 -10.890 -8.184 304 1HH1 ARG 39 1HH1 ARG 39 4.116 -10.227 -11.094 305 2HH1 ARG 39 2HH1 ARG 39 3.702 -11.898 -11.351 306 1HH2 ARG 39 1HH2 ARG 39 5.439 -13.065 -8.533 307 2HH2 ARG 39 2HH2 ARG 39 4.446 -13.515 -9.888 308 H VAL 40 H VAL 40 6.781 -6.095 -5.237 309 HA VAL 40 HA VAL 40 6.333 -3.479 -6.274 310 HB VAL 40 HB VAL 40 7.796 -4.065 -4.272 311 1HG1 VAL 40 1HG1 VAL 40 10.152 -4.466 -4.677 312 2HG1 VAL 40 2HG1 VAL 40 9.824 -4.644 -6.401 313 3HG1 VAL 40 3HG1 VAL 40 9.149 -5.798 -5.251 314 1HG2 VAL 40 1HG2 VAL 40 8.907 -2.223 -6.374 315 2HG2 VAL 40 2HG2 VAL 40 9.317 -2.188 -4.658 316 3HG2 VAL 40 3HG2 VAL 40 7.670 -1.824 -5.179 317 H VAL 41 H VAL 41 6.721 -2.658 -8.186 318 HA VAL 41 HA VAL 41 8.199 -4.289 -10.112 319 HB VAL 41 HB VAL 41 6.492 -1.843 -10.617 320 1HG1 VAL 41 1HG1 VAL 41 8.150 -2.175 -12.347 321 2HG1 VAL 41 2HG1 VAL 41 6.548 -2.589 -12.958 322 3HG1 VAL 41 3HG1 VAL 41 7.679 -3.865 -12.508 323 1HG2 VAL 41 1HG2 VAL 41 4.811 -3.417 -11.461 324 2HG2 VAL 41 2HG2 VAL 41 5.142 -3.668 -9.748 325 3HG2 VAL 41 3HG2 VAL 41 5.825 -4.766 -10.947 326 H ARG 42 H ARG 42 7.990 -0.908 -8.969 327 HA ARG 42 HA ARG 42 10.830 -0.519 -9.436 328 1HB ARG 42 2HB ARG 42 8.909 1.229 -10.975 329 2HB ARG 42 1HB ARG 42 10.660 1.263 -11.037 330 1HG ARG 42 2HG ARG 42 10.719 -0.803 -12.234 331 2HG ARG 42 1HG ARG 42 8.981 -1.032 -12.011 332 1HD ARG 42 2HD ARG 42 8.702 1.191 -13.221 333 2HD ARG 42 1HD ARG 42 10.395 1.026 -13.682 334 HE ARG 42 HE ARG 42 9.607 -1.213 -14.647 335 1HH1 ARG 42 1HH1 ARG 42 7.655 1.690 -14.500 336 2HH1 ARG 42 2HH1 ARG 42 6.715 1.294 -15.910 337 1HH2 ARG 42 1HH2 ARG 42 8.365 -1.754 -16.485 338 2HH2 ARG 42 2HH2 ARG 42 7.129 -0.671 -17.040 339 H ILE 43 H ILE 43 11.587 0.928 -7.949 340 HA ILE 43 HA ILE 43 9.846 3.260 -7.378 341 HB ILE 43 HB ILE 43 12.332 2.357 -5.874 342 1HG1 ILE 43 2HG1 ILE 43 10.643 2.391 -3.924 343 2HG1 ILE 43 1HG1 ILE 43 9.401 2.380 -5.169 344 1HG2 ILE 43 1HG2 ILE 43 11.902 4.288 -4.392 345 2HG2 ILE 43 2HG2 ILE 43 10.626 4.821 -5.486 346 3HG2 ILE 43 3HG2 ILE 43 12.300 4.778 -6.039 347 1HD1 ILE 43 1HD1 ILE 43 10.278 0.270 -6.024 348 2HD1 ILE 43 2HD1 ILE 43 9.826 0.148 -4.323 349 3HD1 ILE 43 3HD1 ILE 43 11.525 0.288 -4.777 350 H ALA 44 H ALA 44 10.280 4.757 -8.902 351 HA ALA 44 HA ALA 44 12.376 4.669 -10.705 352 1HB ALA 44 1HB ALA 44 11.746 6.910 -11.381 353 2HB ALA 44 2HB ALA 44 10.834 7.131 -9.887 354 3HB ALA 44 3HB ALA 44 10.308 5.939 -11.077 355 HA PRO 45 HA PRO 45 15.891 5.983 -8.341 356 1HB PRO 45 2HB PRO 45 17.457 6.641 -10.508 357 2HB PRO 45 1HB PRO 45 17.249 5.003 -9.881 358 1HG PRO 45 2HG PRO 45 15.897 6.335 -12.190 359 2HG PRO 45 1HG PRO 45 16.509 4.676 -12.049 360 1HD PRO 45 2HD PRO 45 13.896 5.234 -11.825 361 2HD PRO 45 1HD PRO 45 14.662 3.962 -10.852 362 H LEU 46 H LEU 46 13.987 7.935 -10.334 363 HA LEU 46 HA LEU 46 15.223 10.435 -10.210 364 1HB LEU 46 2HB LEU 46 12.376 9.509 -10.269 365 2HB LEU 46 1HB LEU 46 12.718 11.209 -10.032 366 HG LEU 46 HG LEU 46 12.269 10.889 -12.350 367 1HD1 LEU 46 1HD1 LEU 46 15.256 11.051 -11.978 368 2HD1 LEU 46 2HD1 LEU 46 14.121 12.397 -11.880 369 3HD1 LEU 46 3HD1 LEU 46 14.362 11.557 -13.411 370 1HD2 LEU 46 1HD2 LEU 46 12.572 8.479 -12.461 371 2HD2 LEU 46 2HD2 LEU 46 14.318 8.677 -12.314 372 3HD2 LEU 46 3HD2 LEU 46 13.479 9.282 -13.743 373 H GLY 47 H GLY 47 13.476 8.578 -7.854 374 1HA GLY 47 2HA GLY 47 14.405 9.708 -5.553 375 2HA GLY 47 1HA GLY 47 13.043 10.719 -6.014 376 H ASP 48 H ASP 48 10.976 9.703 -6.374 377 HA ASP 48 HA ASP 48 10.561 6.959 -5.932 378 1HB ASP 48 2HB ASP 48 11.027 7.333 -3.668 379 2HB ASP 48 1HB ASP 48 10.105 8.821 -3.624 380 HA PRO 49 HA PRO 49 6.377 7.266 -6.200 381 1HB PRO 49 2HB PRO 49 5.965 6.093 -8.612 382 2HB PRO 49 1HB PRO 49 6.053 7.843 -8.432 383 1HG PRO 49 2HG PRO 49 7.903 6.087 -9.796 384 2HG PRO 49 1HG PRO 49 7.947 7.854 -9.696 385 1HD PRO 49 2HD PRO 49 9.377 5.834 -8.042 386 2HD PRO 49 1HD PRO 49 9.826 7.516 -8.412 387 H ILE 50 H ILE 50 5.172 5.202 -6.178 388 HA ILE 50 HA ILE 50 7.038 2.929 -5.968 389 HB ILE 50 HB ILE 50 4.484 3.321 -4.384 390 1HG1 ILE 50 2HG1 ILE 50 7.363 3.523 -3.471 391 2HG1 ILE 50 1HG1 ILE 50 6.322 4.904 -3.799 392 1HG2 ILE 50 1HG2 ILE 50 5.005 0.973 -4.765 393 2HG2 ILE 50 2HG2 ILE 50 5.288 1.397 -3.077 394 3HG2 ILE 50 3HG2 ILE 50 6.650 1.227 -4.184 395 1HD1 ILE 50 1HD1 ILE 50 5.846 2.806 -1.700 396 2HD1 ILE 50 2HD1 ILE 50 4.829 4.213 -2.014 397 3HD1 ILE 50 3HD1 ILE 50 6.476 4.429 -1.424 398 H GLN 51 H GLN 51 6.802 1.951 -7.849 399 HA GLN 51 HA GLN 51 4.162 1.501 -8.980 400 1HB GLN 51 2HB GLN 51 6.953 0.957 -10.007 401 2HB GLN 51 1HB GLN 51 5.486 0.589 -10.893 402 1HG GLN 51 2HG GLN 51 4.968 2.826 -11.233 403 2HG GLN 51 1HG GLN 51 6.010 3.362 -9.918 404 1HE2 GLN 51 1HE2 GLN 51 8.206 3.531 -10.259 405 2HE2 GLN 51 2HE2 GLN 51 8.919 3.533 -11.839 406 H VAL 52 H VAL 52 3.097 -0.247 -8.411 407 HA VAL 52 HA VAL 52 4.590 -2.709 -7.804 408 HB VAL 52 HB VAL 52 2.948 -3.213 -5.999 409 1HG1 VAL 52 1HG1 VAL 52 5.173 -2.359 -5.462 410 2HG1 VAL 52 2HG1 VAL 52 3.972 -1.777 -4.310 411 3HG1 VAL 52 3HG1 VAL 52 4.572 -0.707 -5.576 412 1HG2 VAL 52 1HG2 VAL 52 1.661 -1.353 -5.025 413 2HG2 VAL 52 2HG2 VAL 52 1.141 -1.738 -6.666 414 3HG2 VAL 52 3HG2 VAL 52 2.155 -0.325 -6.371 415 H GLU 53 H GLU 53 2.980 -4.604 -7.665 416 HA GLU 53 HA GLU 53 0.810 -4.287 -9.617 417 1HB GLU 53 2HB GLU 53 3.047 -5.219 -10.544 418 2HB GLU 53 1HB GLU 53 2.654 -6.671 -9.643 419 1HG GLU 53 2HG GLU 53 0.849 -5.458 -11.715 420 2HG GLU 53 1HG GLU 53 2.049 -6.698 -12.068 421 H THR 54 H THR 54 -1.008 -5.382 -9.067 422 HA THR 54 HA THR 54 -1.061 -6.514 -6.403 423 HB THR 54 HB THR 54 -3.372 -6.214 -8.327 424 HG1 THR 54 1HG THR 54 -1.952 -4.349 -6.870 425 1HG2 THR 54 1HG2 THR 54 -4.722 -6.172 -6.271 426 2HG2 THR 54 2HG2 THR 54 -3.263 -6.425 -5.312 427 3HG2 THR 54 3HG2 THR 54 -3.820 -7.681 -6.418 428 H ARG 55 H ARG 55 -2.646 -7.638 -9.369 429 HA ARG 55 HA ARG 55 -1.394 -10.183 -9.398 430 1HB ARG 55 2HB ARG 55 -3.036 -10.253 -7.387 431 2HB ARG 55 1HB ARG 55 -4.303 -10.295 -8.601 432 1HG ARG 55 2HG ARG 55 -2.213 -12.272 -9.065 433 2HG ARG 55 1HG ARG 55 -3.033 -12.470 -7.517 434 1HD ARG 55 2HD ARG 55 -4.362 -12.294 -10.219 435 2HD ARG 55 1HD ARG 55 -4.129 -13.765 -9.274 436 HE ARG 55 HE ARG 55 -5.542 -12.533 -7.532 437 1HH1 ARG 55 1HH1 ARG 55 -5.943 -12.245 -10.996 438 2HH1 ARG 55 2HH1 ARG 55 -7.610 -11.766 -10.896 439 1HH2 ARG 55 1HH2 ARG 55 -7.719 -11.907 -7.387 440 2HH2 ARG 55 2HH2 ARG 55 -8.617 -11.545 -8.832 441 H GLN 56 H GLN 56 -2.185 -7.885 -11.079 442 HA GLN 56 HA GLN 56 -2.862 -8.994 -13.487 443 1HB GLN 56 2HB GLN 56 -5.007 -9.658 -12.401 444 2HB GLN 56 1HB GLN 56 -5.366 -7.958 -12.139 445 1HG GLN 56 2HG GLN 56 -5.476 -7.560 -14.502 446 2HG GLN 56 1HG GLN 56 -4.947 -9.206 -14.844 447 1HE2 GLN 56 1HE2 GLN 56 -6.545 -10.327 -12.690 448 2HE2 GLN 56 2HE2 GLN 56 -8.188 -10.295 -13.222 449 H THR 57 H THR 57 -3.096 -6.293 -11.312 450 HA THR 57 HA THR 57 -2.797 -4.459 -13.580 451 HB THR 57 HB THR 57 -5.121 -4.342 -12.788 452 HG1 THR 57 1HG THR 57 -3.662 -2.391 -13.352 453 1HG2 THR 57 1HG2 THR 57 -3.911 -3.521 -10.144 454 2HG2 THR 57 2HG2 THR 57 -4.822 -4.997 -10.465 455 3HG2 THR 57 3HG2 THR 57 -5.624 -3.429 -10.551 456 H SER 58 H SER 58 -1.470 -2.685 -13.247 457 HA SER 58 HA SER 58 0.222 -2.863 -10.853 458 1HB SER 58 2HB SER 58 1.368 -3.143 -13.005 459 2HB SER 58 1HB SER 58 0.798 -1.562 -13.529 460 HG SER 58 HG SER 58 2.306 -1.878 -11.160 461 H LEU 59 H LEU 59 0.766 -1.048 -9.690 462 HA LEU 59 HA LEU 59 -0.860 1.343 -10.179 463 1HB LEU 59 2HB LEU 59 -0.555 -0.185 -7.615 464 2HB LEU 59 1HB LEU 59 -0.916 1.527 -7.598 465 HG LEU 59 HG LEU 59 -2.975 0.492 -7.336 466 1HD1 LEU 59 1HD1 LEU 59 -2.730 1.059 -10.278 467 2HD1 LEU 59 2HD1 LEU 59 -3.054 2.241 -9.011 468 3HD1 LEU 59 3HD1 LEU 59 -4.236 0.980 -9.362 469 1HD2 LEU 59 1HD2 LEU 59 -3.801 -1.360 -8.687 470 2HD2 LEU 59 2HD2 LEU 59 -2.295 -1.785 -7.871 471 3HD2 LEU 59 3HD2 LEU 59 -2.285 -1.381 -9.587 472 H ALA 60 H ALA 60 -0.117 3.216 -8.887 473 HA ALA 60 HA ALA 60 2.701 3.243 -8.153 474 1HB ALA 60 1HB ALA 60 2.685 3.685 -10.588 475 2HB ALA 60 2HB ALA 60 3.284 5.051 -9.646 476 3HB ALA 60 3HB ALA 60 1.646 5.081 -10.300 477 H LEU 61 H LEU 61 3.098 4.711 -6.552 478 HA LEU 61 HA LEU 61 1.192 6.811 -6.001 479 1HB LEU 61 2HB LEU 61 0.616 6.075 -3.765 480 2HB LEU 61 1HB LEU 61 0.113 4.883 -4.936 481 HG LEU 61 HG LEU 61 2.677 4.562 -3.423 482 1HD1 LEU 61 1HD1 LEU 61 -0.074 3.664 -2.575 483 2HD1 LEU 61 2HD1 LEU 61 0.925 4.867 -1.759 484 3HD1 LEU 61 3HD1 LEU 61 1.440 3.181 -1.811 485 1HD2 LEU 61 1HD2 LEU 61 0.785 2.579 -4.677 486 2HD2 LEU 61 2HD2 LEU 61 2.326 2.208 -3.901 487 3HD2 LEU 61 3HD2 LEU 61 2.293 3.144 -5.395 488 H ARG 62 H ARG 62 1.907 7.898 -3.811 489 HA ARG 62 HA ARG 62 4.819 8.104 -3.996 490 1HB ARG 62 2HB ARG 62 2.723 10.036 -3.044 491 2HB ARG 62 1HB ARG 62 4.443 10.303 -2.804 492 1HG ARG 62 2HG ARG 62 3.749 11.521 -4.712 493 2HG ARG 62 1HG ARG 62 4.749 10.186 -5.266 494 1HD ARG 62 2HD ARG 62 2.742 8.927 -5.858 495 2HD ARG 62 1HD ARG 62 1.734 10.246 -5.278 496 HE ARG 62 HE ARG 62 3.159 11.513 -7.126 497 1HH1 ARG 62 1HH1 ARG 62 1.590 8.374 -7.257 498 2HH1 ARG 62 2HH1 ARG 62 1.319 8.429 -8.974 499 1HH2 ARG 62 1HH2 ARG 62 2.818 11.575 -9.393 500 2HH2 ARG 62 2HH2 ARG 62 2.038 10.242 -10.182 501 H ARG 63 H ARG 63 5.944 8.713 -2.010 502 HA ARG 63 HA ARG 63 5.960 6.875 -0.013 503 1HB ARG 63 2HB ARG 63 6.627 9.809 0.162 504 2HB ARG 63 1HB ARG 63 6.967 8.681 1.460 505 1HG ARG 63 2HG ARG 63 8.818 7.971 0.473 506 2HG ARG 63 1HG ARG 63 7.995 7.743 -1.073 507 1HD ARG 63 2HD ARG 63 8.729 10.480 -0.097 508 2HD ARG 63 1HD ARG 63 9.907 9.468 -0.934 509 HE ARG 63 HE ARG 63 8.307 9.398 -2.815 510 1HH1 ARG 63 1HH1 ARG 63 7.913 11.965 -0.441 511 2HH1 ARG 63 2HH1 ARG 63 7.263 13.094 -1.594 512 1HH2 ARG 63 1HH2 ARG 63 7.490 10.895 -4.322 513 2HH2 ARG 63 2HH2 ARG 63 7.043 12.500 -3.809 514 H LYS 64 H LYS 64 4.309 10.030 0.343 515 HA LYS 64 HA LYS 64 3.317 9.634 2.910 516 1HB LYS 64 2HB LYS 64 3.287 11.810 1.805 517 2HB LYS 64 1HB LYS 64 2.096 11.228 0.648 518 1HG LYS 64 2HG LYS 64 0.559 10.822 2.599 519 2HG LYS 64 1HG LYS 64 1.727 11.692 3.598 520 1HD LYS 64 2HD LYS 64 1.462 13.678 2.248 521 2HD LYS 64 1HD LYS 64 0.395 12.817 1.135 522 1HE LYS 64 2HE LYS 64 -1.195 12.462 2.984 523 2HE LYS 64 1HE LYS 64 -0.140 13.391 4.046 524 1HZ LYS 64 1HZ LYS 64 -0.462 15.320 2.656 525 2HZ LYS 64 2HZ LYS 64 -1.966 14.721 3.161 526 3HZ LYS 64 3HZ LYS 64 -1.428 14.431 1.580 527 H ASP 65 H ASP 65 1.972 8.750 -0.185 528 HA ASP 65 HA ASP 65 -0.592 7.978 0.779 529 1HB ASP 65 2HB ASP 65 0.381 8.566 -1.658 530 2HB ASP 65 1HB ASP 65 0.487 6.813 -1.740 531 H LEU 66 H LEU 66 2.466 6.362 0.286 532 HA LEU 66 HA LEU 66 1.563 3.696 0.659 533 1HB LEU 66 2HB LEU 66 3.794 4.339 -0.286 534 2HB LEU 66 1HB LEU 66 4.275 4.853 1.320 535 HG LEU 66 HG LEU 66 3.732 2.453 2.056 536 1HD1 LEU 66 1HD1 LEU 66 3.949 2.039 -0.918 537 2HD1 LEU 66 2HD1 LEU 66 2.524 1.757 0.082 538 3HD1 LEU 66 3HD1 LEU 66 3.964 0.764 0.300 539 1HD2 LEU 66 1HD2 LEU 66 6.073 3.002 0.238 540 2HD2 LEU 66 2HD2 LEU 66 5.958 1.667 1.384 541 3HD2 LEU 66 3HD2 LEU 66 5.990 3.331 1.969 542 H ALA 67 H ALA 67 2.689 6.232 2.812 543 HA ALA 67 HA ALA 67 2.948 4.684 5.149 544 1HB ALA 67 1HB ALA 67 3.964 6.888 4.883 545 2HB ALA 67 2HB ALA 67 2.974 6.807 6.341 546 3HB ALA 67 3HB ALA 67 2.365 7.632 4.904 547 H LEU 68 H LEU 68 0.148 5.711 3.494 548 HA LEU 68 HA LEU 68 -1.594 5.697 5.791 549 1HB LEU 68 2HB LEU 68 -2.233 5.580 2.841 550 2HB LEU 68 1HB LEU 68 -3.397 5.850 4.124 551 HG LEU 68 HG LEU 68 -1.104 7.703 3.464 552 1HD1 LEU 68 1HD1 LEU 68 -2.852 9.199 2.606 553 2HD1 LEU 68 2HD1 LEU 68 -4.045 7.922 2.849 554 3HD1 LEU 68 3HD1 LEU 68 -2.742 7.701 1.680 555 1HD2 LEU 68 1HD2 LEU 68 -1.749 7.790 5.814 556 2HD2 LEU 68 2HD2 LEU 68 -3.437 8.014 5.353 557 3HD2 LEU 68 3HD2 LEU 68 -2.247 9.259 4.972 558 H LEU 69 H LEU 69 -0.189 3.358 3.764 559 HA LEU 69 HA LEU 69 -2.098 1.309 4.685 560 1HB LEU 69 2HB LEU 69 -0.138 1.346 2.392 561 2HB LEU 69 1HB LEU 69 -0.932 -0.118 2.937 562 HG LEU 69 HG LEU 69 -2.414 2.316 1.948 563 1HD1 LEU 69 1HD1 LEU 69 -1.694 -0.221 0.481 564 2HD1 LEU 69 2HD1 LEU 69 -1.020 1.377 0.169 565 3HD1 LEU 69 3HD1 LEU 69 -2.731 1.068 -0.129 566 1HD2 LEU 69 1HD2 LEU 69 -3.710 0.871 3.422 567 2HD2 LEU 69 2HD2 LEU 69 -3.273 -0.534 2.450 568 3HD2 LEU 69 3HD2 LEU 69 -4.283 0.736 1.759 569 H THR 70 H THR 70 -1.282 -0.573 5.710 570 HA THR 70 HA THR 70 1.536 -0.366 6.531 571 HB THR 70 HB THR 70 -0.584 -2.096 7.781 572 HG1 THR 70 1HG THR 70 -1.142 -0.379 8.903 573 1HG2 THR 70 1HG2 THR 70 1.003 -2.279 9.627 574 2HG2 THR 70 2HG2 THR 70 2.153 -1.276 8.743 575 3HG2 THR 70 3HG2 THR 70 1.715 -2.870 8.127 576 H LEU 71 H LEU 71 2.869 -1.547 5.447 577 HA LEU 71 HA LEU 71 1.943 -4.066 4.224 578 1HB LEU 71 2HB LEU 71 3.992 -2.164 3.082 579 2HB LEU 71 1HB LEU 71 3.390 -3.625 2.328 580 HG LEU 71 HG LEU 71 1.816 -1.094 2.822 581 1HD1 LEU 71 1HD1 LEU 71 2.776 -2.380 0.270 582 2HD1 LEU 71 2HD1 LEU 71 3.433 -0.916 1.002 583 3HD1 LEU 71 3HD1 LEU 71 1.778 -0.930 0.392 584 1HD2 LEU 71 1HD2 LEU 71 0.984 -3.681 1.523 585 2HD2 LEU 71 2HD2 LEU 71 0.038 -2.192 1.549 586 3HD2 LEU 71 3HD2 LEU 71 0.387 -3.041 3.055 587 H VAL 72 H VAL 72 3.210 -5.823 4.532 588 HA VAL 72 HA VAL 72 5.936 -5.380 5.565 589 HB VAL 72 HB VAL 72 5.723 -7.437 6.921 590 1HG1 VAL 72 1HG1 VAL 72 3.659 -5.339 7.564 591 2HG1 VAL 72 2HG1 VAL 72 5.379 -5.245 7.935 592 3HG1 VAL 72 3HG1 VAL 72 4.377 -6.473 8.707 593 1HG2 VAL 72 1HG2 VAL 72 3.949 -8.549 5.683 594 2HG2 VAL 72 2HG2 VAL 72 2.807 -7.297 6.164 595 3HG2 VAL 72 3HG2 VAL 72 3.498 -8.373 7.379 596 HA PRO 73 HA PRO 73 7.017 -7.795 2.029 597 1HB PRO 73 2HB PRO 73 9.520 -8.495 3.387 598 2HB PRO 73 1HB PRO 73 9.269 -7.512 1.943 599 1HG PRO 73 2HG PRO 73 10.056 -6.452 4.301 600 2HG PRO 73 1HG PRO 73 9.045 -5.566 3.144 601 1HD PRO 73 2HD PRO 73 8.255 -6.980 5.660 602 2HD PRO 73 1HD PRO 73 7.674 -5.434 5.006 603 H LEU 74 H LEU 74 7.507 -9.992 1.397 604 HA LEU 74 HA LEU 74 6.548 -11.980 3.234 605 1HB LEU 74 2HB LEU 74 7.711 -12.196 0.461 606 2HB LEU 74 1HB LEU 74 7.050 -13.542 1.359 607 HG LEU 74 HG LEU 74 5.523 -11.122 0.406 608 1HD1 LEU 74 1HD1 LEU 74 5.415 -14.014 -0.442 609 2HD1 LEU 74 2HD1 LEU 74 6.094 -12.684 -1.377 610 3HD1 LEU 74 3HD1 LEU 74 4.366 -12.724 -1.030 611 1HD2 LEU 74 1HD2 LEU 74 3.542 -12.254 1.261 612 2HD2 LEU 74 2HD2 LEU 74 4.685 -11.922 2.563 613 3HD2 LEU 74 3HD2 LEU 74 4.546 -13.552 1.904 614 H ASP 75 H ASP 75 9.630 -11.006 1.884 615 HA ASP 75 HA ASP 75 10.969 -12.878 3.717 616 1HB ASP 75 2HB ASP 75 11.470 -13.346 1.350 617 2HB ASP 75 1HB ASP 75 12.042 -11.691 1.145 Start of MODEL 5 1 HA MET 1 HA MET 1 8.946 -7.502 -24.437 2 1HB MET 1 2HB MET 1 6.886 -6.295 -24.983 3 2HB MET 1 1HB MET 1 6.911 -7.877 -25.747 4 1HG MET 1 2HG MET 1 5.412 -8.738 -24.026 5 2HG MET 1 1HG MET 1 5.398 -7.158 -23.243 6 1HE MET 1 1HE MET 1 1.796 -7.457 -24.776 7 2HE MET 1 2HE MET 1 2.727 -7.147 -23.310 8 3HE MET 1 3HE MET 1 2.771 -8.740 -24.063 9 H SER 2 H SER 2 8.928 -5.470 -23.427 10 HA SER 2 HA SER 2 8.936 -3.987 -21.731 11 1HB SER 2 2HB SER 2 6.733 -5.715 -20.591 12 2HB SER 2 1HB SER 2 7.210 -4.140 -19.956 13 HG SER 2 HG SER 2 6.852 -3.651 -22.442 14 H ALA 3 H ALA 3 9.863 -3.653 -19.662 15 HA ALA 3 HA ALA 3 11.252 -6.047 -18.657 16 1HB ALA 3 1HB ALA 3 12.996 -4.521 -17.857 17 2HB ALA 3 2HB ALA 3 12.089 -3.153 -18.504 18 3HB ALA 3 3HB ALA 3 12.749 -4.368 -19.597 19 H LEU 4 H LEU 4 9.819 -6.732 -17.095 20 HA LEU 4 HA LEU 4 8.906 -4.850 -15.075 21 1HB LEU 4 2HB LEU 4 8.487 -7.835 -15.302 22 2HB LEU 4 1HB LEU 4 7.708 -6.783 -14.137 23 HG LEU 4 HG LEU 4 7.336 -6.651 -17.129 24 1HD1 LEU 4 1HD1 LEU 4 5.099 -7.510 -16.684 25 2HD1 LEU 4 2HD1 LEU 4 5.485 -7.654 -14.969 26 3HD1 LEU 4 3HD1 LEU 4 6.334 -8.650 -16.151 27 1HD2 LEU 4 1HD2 LEU 4 5.499 -5.096 -16.574 28 2HD2 LEU 4 2HD2 LEU 4 7.086 -4.467 -16.130 29 3HD2 LEU 4 3HD2 LEU 4 6.017 -5.121 -14.889 30 H GLN 5 H GLN 5 10.098 -8.128 -14.557 31 HA GLN 5 HA GLN 5 11.584 -9.035 -13.109 32 1HB GLN 5 2HB GLN 5 13.027 -6.419 -13.552 33 2HB GLN 5 1HB GLN 5 13.729 -7.841 -12.790 34 1HG GLN 5 2HG GLN 5 13.627 -9.084 -14.793 35 2HG GLN 5 1HG GLN 5 12.597 -7.881 -15.567 36 1HE2 GLN 5 1HE2 GLN 5 13.493 -5.960 -16.285 37 2HE2 GLN 5 2HE2 GLN 5 15.193 -5.779 -16.539 38 HA PRO 6 HA PRO 6 9.754 -6.758 -9.518 39 1HB PRO 6 2HB PRO 6 8.688 -8.967 -8.348 40 2HB PRO 6 1HB PRO 6 7.845 -8.042 -9.597 41 1HG PRO 6 2HG PRO 6 9.403 -10.584 -9.844 42 2HG PRO 6 1HG PRO 6 7.853 -10.148 -10.585 43 1HD PRO 6 2HD PRO 6 10.204 -10.043 -11.931 44 2HD PRO 6 1HD PRO 6 8.857 -8.935 -12.266 45 H SER 7 H SER 7 11.030 -6.354 -7.833 46 HA SER 7 HA SER 7 13.240 -8.061 -7.201 47 1HB SER 7 2HB SER 7 13.544 -5.658 -7.065 48 2HB SER 7 1HB SER 7 12.228 -5.524 -5.899 49 HG SER 7 HG SER 7 14.728 -5.803 -5.326 50 H ARG 8 H ARG 8 10.664 -6.743 -5.095 51 HA ARG 8 HA ARG 8 10.589 -9.319 -3.704 52 1HB ARG 8 2HB ARG 8 10.937 -6.603 -2.425 53 2HB ARG 8 1HB ARG 8 10.529 -8.063 -1.539 54 1HG ARG 8 2HG ARG 8 12.608 -9.014 -1.878 55 2HG ARG 8 1HG ARG 8 12.946 -8.001 -3.278 56 1HD ARG 8 2HD ARG 8 14.320 -7.209 -1.516 57 2HD ARG 8 1HD ARG 8 13.018 -6.039 -1.709 58 HE ARG 8 HE ARG 8 12.665 -8.100 0.322 59 1HH1 ARG 8 1HH1 ARG 8 13.486 -4.783 -0.444 60 2HH1 ARG 8 2HH1 ARG 8 13.276 -4.222 1.183 61 1HH2 ARG 8 1HH2 ARG 8 12.389 -7.376 2.462 62 2HH2 ARG 8 2HH2 ARG 8 12.682 -5.698 2.842 63 H SER 9 H SER 9 8.702 -9.548 -2.315 64 HA SER 9 HA SER 9 6.423 -7.948 -3.292 65 1HB SER 9 2HB SER 9 6.393 -10.857 -2.450 66 2HB SER 9 1HB SER 9 5.033 -9.939 -3.100 67 HG SER 9 HG SER 9 7.413 -10.105 -4.578 68 H TYR 10 H TYR 10 4.891 -7.290 -1.785 69 HA TYR 10 HA TYR 10 5.630 -7.724 1.044 70 1HB TYR 10 2HB TYR 10 4.651 -5.056 0.061 71 2HB TYR 10 1HB TYR 10 5.546 -5.428 1.530 72 HD1 TYR 10 1HD TYR 10 5.765 -4.416 -1.915 73 HD2 TYR 10 2HD TYR 10 8.008 -6.031 1.321 74 HE1 TYR 10 1HE TYR 10 7.851 -3.797 -3.061 75 HE2 TYR 10 2HE TYR 10 10.099 -5.409 0.184 76 HH TYR 10 HH TYR 10 10.224 -3.301 -2.424 77 H ARG 11 H ARG 11 3.908 -8.156 2.371 78 HA ARG 11 HA ARG 11 1.261 -8.122 1.154 79 1HB ARG 11 2HB ARG 11 2.311 -9.287 3.715 80 2HB ARG 11 1HB ARG 11 0.589 -9.135 3.420 81 1HG ARG 11 2HG ARG 11 1.017 -10.440 1.271 82 2HG ARG 11 1HG ARG 11 2.589 -10.830 1.972 83 1HD ARG 11 2HD ARG 11 1.537 -11.843 3.889 84 2HD ARG 11 1HD ARG 11 -0.055 -11.343 3.322 85 HE ARG 11 HE ARG 11 1.637 -13.417 2.089 86 1HH1 ARG 11 1HH1 ARG 11 -1.480 -11.863 2.478 87 2HH1 ARG 11 2HH1 ARG 11 -2.360 -13.130 1.683 88 1HH2 ARG 11 1HH2 ARG 11 0.503 -15.076 1.036 89 2HH2 ARG 11 2HH2 ARG 11 -1.229 -14.978 0.869 90 H ILE 12 H ILE 12 -0.559 -7.267 2.313 91 HA ILE 12 HA ILE 12 0.142 -4.729 3.615 92 HB ILE 12 HB ILE 12 -2.556 -5.568 2.529 93 1HG1 ILE 12 2HG1 ILE 12 -0.410 -3.865 1.232 94 2HG1 ILE 12 1HG1 ILE 12 -0.874 -5.487 0.729 95 1HG2 ILE 12 1HG2 ILE 12 -1.456 -2.882 3.361 96 2HG2 ILE 12 2HG2 ILE 12 -2.682 -3.823 4.210 97 3HG2 ILE 12 3HG2 ILE 12 -3.034 -3.150 2.619 98 1HD1 ILE 12 1HD1 ILE 12 -3.085 -4.676 0.128 99 2HD1 ILE 12 2HD1 ILE 12 -1.826 -3.777 -0.717 100 3HD1 ILE 12 3HD1 ILE 12 -2.647 -3.056 0.667 101 H THR 13 H THR 13 0.183 -4.847 5.758 102 HA THR 13 HA THR 13 -1.285 -6.807 7.249 103 HB THR 13 HB THR 13 -0.183 -4.511 8.696 104 HG1 THR 13 1HG THR 13 1.967 -5.844 8.108 105 1HG2 THR 13 1HG2 THR 13 0.841 -6.273 10.045 106 2HG2 THR 13 2HG2 THR 13 0.321 -7.482 8.870 107 3HG2 THR 13 3HG2 THR 13 -0.878 -6.589 9.805 108 H GLY 14 H GLY 14 -1.721 -3.528 6.262 109 1HA GLY 14 2HA GLY 14 -4.343 -3.164 6.580 110 2HA GLY 14 1HA GLY 14 -3.778 -2.983 8.236 111 H TYR 15 H TYR 15 -4.367 -0.823 8.346 112 HA TYR 15 HA TYR 15 -2.756 0.981 6.652 113 1HB TYR 15 2HB TYR 15 -5.389 1.659 7.978 114 2HB TYR 15 1HB TYR 15 -4.512 2.615 6.793 115 HD1 TYR 15 1HD TYR 15 -6.420 -0.524 7.254 116 HD2 TYR 15 2HD TYR 15 -4.878 2.309 4.480 117 HE1 TYR 15 1HE TYR 15 -7.739 -1.564 5.470 118 HE2 TYR 15 2HE TYR 15 -6.198 1.269 2.680 119 HH TYR 15 HH TYR 15 -7.306 -0.795 2.147 120 H SER 16 H SER 16 -1.875 2.844 7.697 121 HA SER 16 HA SER 16 -0.955 2.416 10.320 122 1HB SER 16 2HB SER 16 -1.012 4.982 8.709 123 2HB SER 16 1HB SER 16 0.017 4.638 10.095 124 HG SER 16 HG SER 16 0.905 4.325 7.871 125 HA PRO 17 HA PRO 17 -4.326 3.645 12.795 126 1HB PRO 17 2HB PRO 17 -2.405 4.848 14.688 127 2HB PRO 17 1HB PRO 17 -3.535 3.513 14.921 128 1HG PRO 17 2HG PRO 17 -0.905 3.083 14.725 129 2HG PRO 17 1HG PRO 17 -2.083 1.948 14.036 130 1HD PRO 17 2HD PRO 17 -0.427 4.035 12.666 131 2HD PRO 17 1HD PRO 17 -0.811 2.380 12.144 132 H ALA 18 H ALA 18 -2.454 5.937 11.291 133 HA ALA 18 HA ALA 18 -3.737 8.229 12.569 134 1HB ALA 18 1HB ALA 18 -1.623 8.171 10.418 135 2HB ALA 18 2HB ALA 18 -1.323 8.340 12.147 136 3HB ALA 18 3HB ALA 18 -2.201 9.598 11.278 137 H ILE 19 H ILE 19 -4.405 6.122 10.082 138 HA ILE 19 HA ILE 19 -5.498 8.106 8.253 139 HB ILE 19 HB ILE 19 -4.336 6.006 7.456 140 1HG1 ILE 19 2HG1 ILE 19 -7.182 6.430 6.517 141 2HG1 ILE 19 1HG1 ILE 19 -5.785 7.362 5.995 142 1HG2 ILE 19 1HG2 ILE 19 -5.262 4.416 9.009 143 2HG2 ILE 19 2HG2 ILE 19 -5.692 3.953 7.363 144 3HG2 ILE 19 3HG2 ILE 19 -6.889 4.725 8.402 145 1HD1 ILE 19 1HD1 ILE 19 -6.232 4.427 5.520 146 2HD1 ILE 19 2HD1 ILE 19 -4.814 5.343 5.013 147 3HD1 ILE 19 3HD1 ILE 19 -6.396 5.719 4.331 148 H SER 20 H SER 20 -7.690 8.296 7.730 149 HA SER 20 HA SER 20 -9.488 7.600 9.905 150 1HB SER 20 2HB SER 20 -9.425 9.912 8.894 151 2HB SER 20 1HB SER 20 -10.100 9.219 7.420 152 HG SER 20 HG SER 20 -11.309 9.767 9.852 153 H ASN 21 H ASN 21 -11.727 6.812 9.297 154 HA ASN 21 HA ASN 21 -11.352 4.293 8.033 155 1HB ASN 21 2HB ASN 21 -12.836 4.492 9.948 156 2HB ASN 21 1HB ASN 21 -13.883 5.593 9.059 157 1HD2 ASN 21 1HD2 ASN 21 -15.352 4.780 7.627 158 2HD2 ASN 21 2HD2 ASN 21 -15.643 3.091 7.410 159 H GLY 22 H GLY 22 -13.112 7.231 7.068 160 1HA GLY 22 2HA GLY 22 -14.280 6.180 4.732 161 2HA GLY 22 1HA GLY 22 -13.896 7.873 4.992 162 H TYR 23 H TYR 23 -11.046 7.473 5.312 163 HA TYR 23 HA TYR 23 -10.219 7.465 2.618 164 1HB TYR 23 2HB TYR 23 -8.785 7.417 5.256 165 2HB TYR 23 1HB TYR 23 -7.901 7.286 3.752 166 HD1 TYR 23 1HD TYR 23 -8.574 9.167 1.956 167 HD2 TYR 23 2HD TYR 23 -9.023 9.516 6.171 168 HE1 TYR 23 1HE TYR 23 -8.561 11.614 1.746 169 HE2 TYR 23 2HE TYR 23 -9.016 11.966 5.969 170 HH TYR 23 HH TYR 23 -9.389 13.577 3.023 171 H ARG 24 H ARG 24 -10.127 5.077 5.198 172 HA ARG 24 HA ARG 24 -8.741 3.032 3.896 173 1HB ARG 24 2HB ARG 24 -9.362 3.021 6.296 174 2HB ARG 24 1HB ARG 24 -11.047 2.819 5.848 175 1HG ARG 24 2HG ARG 24 -10.410 0.679 4.740 176 2HG ARG 24 1HG ARG 24 -8.804 0.868 5.441 177 1HD ARG 24 2HD ARG 24 -11.421 0.551 6.901 178 2HD ARG 24 1HD ARG 24 -10.071 -0.580 6.867 179 HE ARG 24 HE ARG 24 -9.403 2.021 7.931 180 1HH1 ARG 24 1HH1 ARG 24 -10.555 -1.214 8.681 181 2HH1 ARG 24 2HH1 ARG 24 -10.199 -1.077 10.381 182 1HH2 ARG 24 1HH2 ARG 24 -8.945 2.196 10.153 183 2HH2 ARG 24 2HH2 ARG 24 -9.293 0.868 11.219 184 H GLN 25 H GLN 25 -12.151 3.912 3.914 185 HA GLN 25 HA GLN 25 -13.082 1.734 2.420 186 1HB GLN 25 2HB GLN 25 -14.187 4.495 2.874 187 2HB GLN 25 1HB GLN 25 -15.069 3.238 2.039 188 1HG GLN 25 2HG GLN 25 -14.835 1.823 4.082 189 2HG GLN 25 1HG GLN 25 -14.148 3.227 4.891 190 1HE2 GLN 25 1HE2 GLN 25 -15.972 5.041 3.400 191 2HE2 GLN 25 2HE2 GLN 25 -17.499 4.878 4.193 192 H ARG 26 H ARG 26 -11.874 4.904 1.468 193 HA ARG 26 HA ARG 26 -12.544 4.584 -1.287 194 1HB ARG 26 2HB ARG 26 -12.088 6.777 -0.100 195 2HB ARG 26 1HB ARG 26 -10.382 6.371 -0.176 196 1HG ARG 26 2HG ARG 26 -10.429 6.374 -2.581 197 2HG ARG 26 1HG ARG 26 -12.178 6.608 -2.585 198 1HD ARG 26 2HD ARG 26 -11.878 8.780 -1.488 199 2HD ARG 26 1HD ARG 26 -10.131 8.549 -1.513 200 HE ARG 26 HE ARG 26 -10.838 8.293 -4.124 201 1HH1 ARG 26 1HH1 ARG 26 -11.447 10.756 -1.702 202 2HH1 ARG 26 2HH1 ARG 26 -11.496 12.057 -2.851 203 1HH2 ARG 26 1HH2 ARG 26 -10.869 10.003 -5.630 204 2HH2 ARG 26 2HH2 ARG 26 -11.158 11.628 -5.085 205 H LEU 27 H LEU 27 -9.725 3.886 0.696 206 HA LEU 27 HA LEU 27 -7.983 3.222 -1.462 207 1HB LEU 27 2HB LEU 27 -7.944 2.519 1.468 208 2HB LEU 27 1HB LEU 27 -6.696 1.996 0.355 209 HG LEU 27 HG LEU 27 -7.385 4.870 0.977 210 1HD1 LEU 27 1HD1 LEU 27 -5.035 3.182 1.819 211 2HD1 LEU 27 2HD1 LEU 27 -6.335 3.751 2.866 212 3HD1 LEU 27 3HD1 LEU 27 -5.229 4.907 2.125 213 1HD2 LEU 27 1HD2 LEU 27 -5.146 3.691 -0.664 214 2HD2 LEU 27 2HD2 LEU 27 -5.374 5.400 -0.291 215 3HD2 LEU 27 3HD2 LEU 27 -6.547 4.553 -1.299 216 H PHE 28 H PHE 28 -10.072 1.342 0.660 217 HA PHE 28 HA PHE 28 -9.488 -1.227 -0.267 218 1HB PHE 28 2HB PHE 28 -10.950 -0.431 1.720 219 2HB PHE 28 1HB PHE 28 -12.253 -0.345 0.544 220 HD1 PHE 28 1HD PHE 28 -12.768 -2.505 -0.782 221 HD2 PHE 28 2HD PHE 28 -10.487 -2.407 2.812 222 HE1 PHE 28 1HE PHE 28 -13.225 -4.894 -0.432 223 HE2 PHE 28 2HE PHE 28 -10.945 -4.798 3.169 224 HZ PHE 28 HZ PHE 28 -12.313 -6.044 1.544 225 H SER 29 H SER 29 -11.885 1.133 -1.343 226 HA SER 29 HA SER 29 -13.054 -0.411 -3.381 227 1HB SER 29 2HB SER 29 -12.835 2.593 -3.090 228 2HB SER 29 1HB SER 29 -13.904 1.764 -4.217 229 HG SER 29 HG SER 29 -13.983 1.774 -1.385 230 H MET 30 H MET 30 -10.194 1.598 -3.306 231 HA MET 30 HA MET 30 -9.880 1.590 -6.169 232 1HB MET 30 2HB MET 30 -8.196 2.626 -3.907 233 2HB MET 30 1HB MET 30 -7.582 2.577 -5.552 234 1HG MET 30 2HG MET 30 -9.548 3.930 -6.256 235 2HG MET 30 1HG MET 30 -9.983 4.083 -4.556 236 1HE MET 30 1HE MET 30 -7.171 4.383 -3.127 237 2HE MET 30 2HE MET 30 -8.572 5.395 -2.771 238 3HE MET 30 3HE MET 30 -7.009 6.140 -3.102 239 H GLY 31 H GLY 31 -9.076 -0.549 -3.640 240 1HA GLY 31 2HA GLY 31 -8.565 -2.803 -4.491 241 2HA GLY 31 1HA GLY 31 -7.404 -2.049 -5.568 242 H LEU 32 H LEU 32 -7.293 -0.546 -2.581 243 HA LEU 32 HA LEU 32 -4.973 -2.185 -1.814 244 1HB LEU 32 2HB LEU 32 -5.674 0.653 -1.049 245 2HB LEU 32 1HB LEU 32 -4.264 -0.224 -0.485 246 HG LEU 32 HG LEU 32 -4.817 0.524 -3.362 247 1HD1 LEU 32 1HD1 LEU 32 -2.945 2.082 -3.071 248 2HD1 LEU 32 2HD1 LEU 32 -2.860 1.652 -1.362 249 3HD1 LEU 32 3HD1 LEU 32 -4.290 2.467 -1.996 250 1HD2 LEU 32 1HD2 LEU 32 -3.554 -1.547 -3.186 251 2HD2 LEU 32 2HD2 LEU 32 -2.418 -0.780 -2.075 252 3HD2 LEU 32 3HD2 LEU 32 -2.516 -0.238 -3.750 253 H LEU 33 H LEU 33 -5.770 -3.757 -0.509 254 HA LEU 33 HA LEU 33 -7.384 -2.896 1.783 255 1HB LEU 33 2HB LEU 33 -8.749 -4.882 1.598 256 2HB LEU 33 1HB LEU 33 -8.849 -3.942 0.127 257 HG LEU 33 HG LEU 33 -6.981 -6.289 0.315 258 1HD1 LEU 33 1HD1 LEU 33 -9.902 -6.361 -0.434 259 2HD1 LEU 33 2HD1 LEU 33 -9.180 -7.099 0.995 260 3HD1 LEU 33 3HD1 LEU 33 -8.760 -7.692 -0.613 261 1HD2 LEU 33 1HD2 LEU 33 -6.725 -4.789 -1.591 262 2HD2 LEU 33 2HD2 LEU 33 -8.436 -4.966 -1.975 263 3HD2 LEU 33 3HD2 LEU 33 -7.355 -6.353 -2.110 264 HA PRO 34 HA PRO 34 -4.538 -5.151 4.308 265 1HB PRO 34 2HB PRO 34 -6.210 -5.991 6.296 266 2HB PRO 34 1HB PRO 34 -5.622 -4.331 6.160 267 1HG PRO 34 2HG PRO 34 -8.249 -5.484 5.305 268 2HG PRO 34 1HG PRO 34 -7.917 -3.949 6.129 269 1HD PRO 34 2HD PRO 34 -8.409 -4.072 3.484 270 2HD PRO 34 1HD PRO 34 -7.272 -2.896 4.176 271 H GLY 35 H GLY 35 -3.736 -7.176 4.231 272 1HA GLY 35 2HA GLY 35 -4.026 -9.550 4.548 273 2HA GLY 35 1HA GLY 35 -5.630 -9.402 3.844 274 H ALA 36 H ALA 36 -4.306 -7.528 1.786 275 HA ALA 36 HA ALA 36 -3.804 -9.630 -0.108 276 1HB ALA 36 1HB ALA 36 -5.206 -7.713 -0.719 277 2HB ALA 36 2HB ALA 36 -3.789 -7.836 -1.760 278 3HB ALA 36 3HB ALA 36 -3.832 -6.634 -0.471 279 H ALA 37 H ALA 37 -2.049 -8.556 -1.797 280 HA ALA 37 HA ALA 37 0.435 -8.008 -0.400 281 1HB ALA 37 1HB ALA 37 0.340 -10.442 -0.343 282 2HB ALA 37 2HB ALA 37 1.611 -9.902 -1.438 283 3HB ALA 37 3HB ALA 37 0.080 -10.489 -2.086 284 H LEU 38 H LEU 38 1.810 -6.826 -1.611 285 HA LEU 38 HA LEU 38 1.002 -6.293 -4.392 286 1HB LEU 38 2HB LEU 38 2.695 -4.580 -2.588 287 2HB LEU 38 1HB LEU 38 2.085 -4.147 -4.169 288 HG LEU 38 HG LEU 38 0.346 -4.636 -1.744 289 1HD1 LEU 38 1HD1 LEU 38 1.213 -2.044 -3.025 290 2HD1 LEU 38 2HD1 LEU 38 1.704 -2.639 -1.439 291 3HD1 LEU 38 3HD1 LEU 38 0.020 -2.208 -1.736 292 1HD2 LEU 38 1HD2 LEU 38 -0.297 -3.531 -4.477 293 2HD2 LEU 38 2HD2 LEU 38 -1.416 -3.637 -3.119 294 3HD2 LEU 38 3HD2 LEU 38 -0.781 -5.108 -3.856 295 H ARG 39 H ARG 39 2.330 -6.759 -5.961 296 HA ARG 39 HA ARG 39 5.060 -7.620 -5.343 297 1HB ARG 39 2HB ARG 39 4.290 -9.348 -6.611 298 2HB ARG 39 1HB ARG 39 3.018 -8.380 -7.338 299 1HG ARG 39 2HG ARG 39 4.646 -7.416 -8.889 300 2HG ARG 39 1HG ARG 39 5.916 -8.395 -8.156 301 1HD ARG 39 2HD ARG 39 4.892 -9.280 -10.305 302 2HD ARG 39 1HD ARG 39 4.983 -10.400 -8.949 303 HE ARG 39 HE ARG 39 2.670 -10.372 -8.772 304 1HH1 ARG 39 1HH1 ARG 39 3.707 -8.072 -11.206 305 2HH1 ARG 39 2HH1 ARG 39 2.115 -7.861 -11.873 306 1HH2 ARG 39 1HH2 ARG 39 0.599 -10.141 -9.656 307 2HH2 ARG 39 2HH2 ARG 39 0.339 -9.048 -10.995 308 H VAL 40 H VAL 40 6.708 -6.296 -5.851 309 HA VAL 40 HA VAL 40 6.124 -3.702 -6.844 310 HB VAL 40 HB VAL 40 7.910 -4.145 -5.173 311 1HG1 VAL 40 1HG1 VAL 40 8.899 -6.143 -6.122 312 2HG1 VAL 40 2HG1 VAL 40 10.115 -4.880 -5.935 313 3HG1 VAL 40 3HG1 VAL 40 9.442 -5.226 -7.527 314 1HG2 VAL 40 1HG2 VAL 40 7.832 -2.038 -6.388 315 2HG2 VAL 40 2HG2 VAL 40 8.817 -2.735 -7.674 316 3HG2 VAL 40 3HG2 VAL 40 9.498 -2.516 -6.061 317 H VAL 41 H VAL 41 6.049 -2.967 -8.798 318 HA VAL 41 HA VAL 41 7.006 -4.563 -11.030 319 HB VAL 41 HB VAL 41 5.621 -1.869 -11.015 320 1HG1 VAL 41 1HG1 VAL 41 6.917 -2.200 -13.045 321 2HG1 VAL 41 2HG1 VAL 41 5.194 -2.336 -13.399 322 3HG1 VAL 41 3HG1 VAL 41 6.187 -3.789 -13.276 323 1HG2 VAL 41 1HG2 VAL 41 3.620 -3.120 -11.694 324 2HG2 VAL 41 2HG2 VAL 41 4.191 -3.626 -10.103 325 3HG2 VAL 41 3HG2 VAL 41 4.511 -4.632 -11.516 326 H ARG 42 H ARG 42 7.551 -1.293 -9.668 327 HA ARG 42 HA ARG 42 10.326 -1.330 -10.152 328 1HB ARG 42 2HB ARG 42 9.830 -1.193 -12.492 329 2HB ARG 42 1HB ARG 42 8.662 0.097 -12.230 330 1HG ARG 42 2HG ARG 42 10.463 1.603 -11.566 331 2HG ARG 42 1HG ARG 42 11.637 0.307 -11.796 332 1HD ARG 42 2HD ARG 42 9.826 1.283 -13.991 333 2HD ARG 42 1HD ARG 42 11.417 1.979 -13.682 334 HE ARG 42 HE ARG 42 12.046 -0.589 -13.916 335 1HH1 ARG 42 1HH1 ARG 42 9.899 1.350 -15.883 336 2HH1 ARG 42 2HH1 ARG 42 10.248 0.479 -17.347 337 1HH2 ARG 42 1HH2 ARG 42 12.523 -1.714 -15.841 338 2HH2 ARG 42 2HH2 ARG 42 11.725 -1.262 -17.317 339 H ILE 43 H ILE 43 11.346 0.283 -9.106 340 HA ILE 43 HA ILE 43 9.755 2.540 -8.070 341 HB ILE 43 HB ILE 43 12.564 1.602 -7.386 342 1HG1 ILE 43 2HG1 ILE 43 10.049 1.606 -5.705 343 2HG1 ILE 43 1HG1 ILE 43 10.681 0.193 -6.540 344 1HG2 ILE 43 1HG2 ILE 43 12.542 3.301 -5.614 345 2HG2 ILE 43 2HG2 ILE 43 10.991 3.894 -6.202 346 3HG2 ILE 43 3HG2 ILE 43 12.427 4.034 -7.213 347 1HD1 ILE 43 1HD1 ILE 43 11.273 0.164 -4.191 348 2HD1 ILE 43 2HD1 ILE 43 12.082 1.722 -4.361 349 3HD1 ILE 43 3HD1 ILE 43 12.713 0.303 -5.198 350 H ALA 44 H ALA 44 10.295 4.668 -8.732 351 HA ALA 44 HA ALA 44 11.757 4.841 -11.227 352 1HB ALA 44 1HB ALA 44 10.420 7.052 -9.682 353 2HB ALA 44 2HB ALA 44 9.626 6.045 -10.898 354 3HB ALA 44 3HB ALA 44 10.958 7.108 -11.361 355 HA PRO 45 HA PRO 45 15.642 6.187 -9.606 356 1HB PRO 45 2HB PRO 45 16.484 7.779 -11.654 357 2HB PRO 45 1HB PRO 45 16.498 6.014 -11.723 358 1HG PRO 45 2HG PRO 45 14.495 7.938 -12.841 359 2HG PRO 45 1HG PRO 45 15.183 6.481 -13.582 360 1HD PRO 45 2HD PRO 45 12.727 6.503 -12.471 361 2HD PRO 45 1HD PRO 45 13.779 5.072 -12.407 362 H LEU 46 H LEU 46 13.047 8.250 -10.019 363 HA LEU 46 HA LEU 46 14.009 10.812 -9.497 364 1HB LEU 46 2HB LEU 46 11.567 9.820 -9.837 365 2HB LEU 46 1HB LEU 46 11.578 9.769 -8.097 366 HG LEU 46 HG LEU 46 10.481 11.784 -9.144 367 1HD1 LEU 46 1HD1 LEU 46 11.363 13.341 -7.503 368 2HD1 LEU 46 2HD1 LEU 46 12.757 12.292 -7.239 369 3HD1 LEU 46 3HD1 LEU 46 11.140 11.738 -6.804 370 1HD2 LEU 46 1HD2 LEU 46 12.093 12.171 -10.913 371 2HD2 LEU 46 2HD2 LEU 46 13.341 12.525 -9.719 372 3HD2 LEU 46 3HD2 LEU 46 11.943 13.591 -9.879 373 H GLY 47 H GLY 47 13.479 8.065 -7.478 374 1HA GLY 47 2HA GLY 47 15.027 8.368 -5.348 375 2HA GLY 47 1HA GLY 47 13.741 9.525 -4.999 376 H ASP 48 H ASP 48 11.510 8.567 -5.690 377 HA ASP 48 HA ASP 48 10.996 5.902 -5.969 378 1HB ASP 48 2HB ASP 48 11.954 5.606 -3.751 379 2HB ASP 48 1HB ASP 48 10.813 6.757 -3.082 380 HA PRO 49 HA PRO 49 6.829 6.503 -5.342 381 1HB PRO 49 2HB PRO 49 6.017 6.001 -7.914 382 2HB PRO 49 1HB PRO 49 6.168 7.626 -7.249 383 1HG PRO 49 2HG PRO 49 7.729 6.435 -9.337 384 2HG PRO 49 1HG PRO 49 7.913 8.052 -8.639 385 1HD PRO 49 2HD PRO 49 9.377 5.535 -7.998 386 2HD PRO 49 1HD PRO 49 9.930 7.223 -7.894 387 H ILE 50 H ILE 50 5.465 4.539 -5.614 388 HA ILE 50 HA ILE 50 7.205 2.225 -6.203 389 HB ILE 50 HB ILE 50 4.889 2.206 -4.253 390 1HG1 ILE 50 2HG1 ILE 50 7.845 2.421 -3.642 391 2HG1 ILE 50 1HG1 ILE 50 6.687 3.732 -3.477 392 1HG2 ILE 50 1HG2 ILE 50 5.903 0.113 -3.489 393 2HG2 ILE 50 2HG2 ILE 50 7.155 0.271 -4.721 394 3HG2 ILE 50 3HG2 ILE 50 5.473 0.038 -5.198 395 1HD1 ILE 50 1HD1 ILE 50 7.187 2.708 -1.332 396 2HD1 ILE 50 2HD1 ILE 50 6.636 1.148 -1.942 397 3HD1 ILE 50 3HD1 ILE 50 5.494 2.479 -1.767 398 H GLN 51 H GLN 51 6.632 1.624 -8.196 399 HA GLN 51 HA GLN 51 3.851 1.414 -8.949 400 1HB GLN 51 2HB GLN 51 6.408 0.610 -10.360 401 2HB GLN 51 1HB GLN 51 4.805 0.471 -11.053 402 1HG GLN 51 2HG GLN 51 4.515 2.867 -10.983 403 2HG GLN 51 1HG GLN 51 6.070 3.050 -10.173 404 1HE2 GLN 51 1HE2 GLN 51 5.097 4.128 -12.733 405 2HE2 GLN 51 2HE2 GLN 51 6.237 3.604 -13.918 406 H VAL 52 H VAL 52 2.705 -0.261 -8.214 407 HA VAL 52 HA VAL 52 4.031 -2.883 -8.009 408 HB VAL 52 HB VAL 52 2.665 -3.348 -5.961 409 1HG1 VAL 52 1HG1 VAL 52 5.009 -2.897 -5.739 410 2HG1 VAL 52 2HG1 VAL 52 4.144 -2.107 -4.423 411 3HG1 VAL 52 3HG1 VAL 52 4.720 -1.159 -5.794 412 1HG2 VAL 52 1HG2 VAL 52 1.858 -1.413 -4.660 413 2HG2 VAL 52 2HG2 VAL 52 0.995 -1.613 -6.185 414 3HG2 VAL 52 3HG2 VAL 52 2.233 -0.367 -6.030 415 H GLU 53 H GLU 53 2.494 -4.681 -7.834 416 HA GLU 53 HA GLU 53 -0.225 -4.164 -8.749 417 1HB GLU 53 2HB GLU 53 1.176 -4.522 -10.802 418 2HB GLU 53 1HB GLU 53 1.617 -6.103 -10.173 419 1HG GLU 53 2HG GLU 53 -0.984 -6.427 -10.068 420 2HG GLU 53 1HG GLU 53 -0.966 -5.156 -11.290 421 H THR 54 H THR 54 -1.643 -5.713 -7.926 422 HA THR 54 HA THR 54 -0.390 -7.721 -6.203 423 HB THR 54 HB THR 54 -2.087 -6.338 -5.124 424 HG1 THR 54 1HG THR 54 -1.869 -8.485 -4.416 425 1HG2 THR 54 1HG2 THR 54 -3.514 -5.839 -7.049 426 2HG2 THR 54 2HG2 THR 54 -4.460 -6.513 -5.721 427 3HG2 THR 54 3HG2 THR 54 -4.035 -7.523 -7.103 428 H ARG 55 H ARG 55 -2.879 -7.475 -8.692 429 HA ARG 55 HA ARG 55 -1.965 -9.566 -10.271 430 1HB ARG 55 2HB ARG 55 -3.694 -11.293 -9.868 431 2HB ARG 55 1HB ARG 55 -2.622 -11.089 -8.493 432 1HG ARG 55 2HG ARG 55 -4.364 -9.663 -7.427 433 2HG ARG 55 1HG ARG 55 -5.444 -10.079 -8.760 434 1HD ARG 55 2HD ARG 55 -5.232 -12.443 -8.205 435 2HD ARG 55 1HD ARG 55 -4.133 -12.043 -6.886 436 HE ARG 55 HE ARG 55 -6.977 -11.250 -6.968 437 1HH1 ARG 55 1HH1 ARG 55 -4.101 -12.206 -5.221 438 2HH1 ARG 55 2HH1 ARG 55 -4.890 -12.279 -3.676 439 1HH2 ARG 55 1HH2 ARG 55 -8.061 -11.404 -4.953 440 2HH2 ARG 55 2HH2 ARG 55 -7.158 -11.842 -3.529 441 H GLN 56 H GLN 56 -3.161 -6.890 -10.281 442 HA GLN 56 HA GLN 56 -5.547 -7.360 -11.930 443 1HB GLN 56 2HB GLN 56 -6.150 -6.584 -9.629 444 2HB GLN 56 1HB GLN 56 -5.203 -5.132 -9.909 445 1HG GLN 56 2HG GLN 56 -7.508 -4.619 -10.230 446 2HG GLN 56 1HG GLN 56 -6.706 -4.579 -11.801 447 1HE2 GLN 56 1HE2 GLN 56 -8.942 -6.269 -9.763 448 2HE2 GLN 56 2HE2 GLN 56 -9.620 -7.272 -10.993 449 H THR 57 H THR 57 -3.498 -4.637 -10.876 450 HA THR 57 HA THR 57 -2.469 -4.178 -13.501 451 HB THR 57 HB THR 57 -4.750 -3.268 -13.808 452 HG1 THR 57 1HG THR 57 -2.997 -2.248 -14.912 453 1HG2 THR 57 1HG2 THR 57 -5.215 -2.616 -11.497 454 2HG2 THR 57 2HG2 THR 57 -5.450 -1.258 -12.597 455 3HG2 THR 57 3HG2 THR 57 -3.995 -1.346 -11.604 456 H SER 58 H SER 58 -0.896 -2.482 -13.519 457 HA SER 58 HA SER 58 0.472 -2.206 -11.042 458 1HB SER 58 2HB SER 58 1.015 -0.710 -13.608 459 2HB SER 58 1HB SER 58 2.154 -1.054 -12.306 460 HG SER 58 HG SER 58 1.679 -3.351 -12.820 461 H LEU 59 H LEU 59 0.710 -0.493 -9.725 462 HA LEU 59 HA LEU 59 -0.597 2.041 -10.387 463 1HB LEU 59 2HB LEU 59 -2.234 0.813 -9.079 464 2HB LEU 59 1HB LEU 59 -1.035 0.458 -7.852 465 HG LEU 59 HG LEU 59 -0.903 2.892 -7.340 466 1HD1 LEU 59 1HD1 LEU 59 -1.642 3.759 -9.497 467 2HD1 LEU 59 2HD1 LEU 59 -2.649 4.374 -8.186 468 3HD1 LEU 59 3HD1 LEU 59 -3.247 3.082 -9.229 469 1HD2 LEU 59 1HD2 LEU 59 -2.308 1.419 -6.009 470 2HD2 LEU 59 2HD2 LEU 59 -3.644 1.649 -7.139 471 3HD2 LEU 59 3HD2 LEU 59 -3.056 3.006 -6.177 472 H ALA 60 H ALA 60 0.373 3.837 -9.458 473 HA ALA 60 HA ALA 60 2.912 3.309 -8.052 474 1HB ALA 60 1HB ALA 60 2.193 5.673 -9.790 475 2HB ALA 60 2HB ALA 60 3.195 4.306 -10.278 476 3HB ALA 60 3HB ALA 60 3.747 5.390 -9.002 477 H LEU 61 H LEU 61 3.402 4.446 -6.212 478 HA LEU 61 HA LEU 61 1.505 6.442 -5.263 479 1HB LEU 61 2HB LEU 61 1.367 5.320 -3.049 480 2HB LEU 61 1HB LEU 61 0.583 4.430 -4.334 481 HG LEU 61 HG LEU 61 2.927 3.185 -4.390 482 1HD1 LEU 61 1HD1 LEU 61 3.963 4.557 -2.673 483 2HD1 LEU 61 2HD1 LEU 61 3.819 2.882 -2.142 484 3HD1 LEU 61 3HD1 LEU 61 2.698 4.101 -1.533 485 1HD2 LEU 61 1HD2 LEU 61 0.751 2.133 -4.053 486 2HD2 LEU 61 2HD2 LEU 61 0.767 2.633 -2.362 487 3HD2 LEU 61 3HD2 LEU 61 1.957 1.471 -2.949 488 H ARG 62 H ARG 62 2.366 7.574 -3.306 489 HA ARG 62 HA ARG 62 5.249 7.909 -3.701 490 1HB ARG 62 2HB ARG 62 3.280 9.686 -2.244 491 2HB ARG 62 1HB ARG 62 4.980 10.042 -2.489 492 1HG ARG 62 2HG ARG 62 3.740 11.319 -4.046 493 2HG ARG 62 1HG ARG 62 4.542 10.037 -4.951 494 1HD ARG 62 2HD ARG 62 2.574 8.845 -5.253 495 2HD ARG 62 1HD ARG 62 1.763 9.667 -3.930 496 HE ARG 62 HE ARG 62 2.440 11.243 -6.289 497 1HH1 ARG 62 1HH1 ARG 62 0.061 9.572 -4.345 498 2HH1 ARG 62 2HH1 ARG 62 -1.308 10.275 -5.167 499 1HH2 ARG 62 1HH2 ARG 62 0.646 12.171 -7.392 500 2HH2 ARG 62 2HH2 ARG 62 -0.968 11.770 -6.895 501 H ARG 63 H ARG 63 6.374 8.689 -1.594 502 HA ARG 63 HA ARG 63 6.314 6.543 0.264 503 1HB ARG 63 2HB ARG 63 7.693 9.214 0.237 504 2HB ARG 63 1HB ARG 63 7.807 8.142 1.628 505 1HG ARG 63 2HG ARG 63 8.532 7.318 -1.169 506 2HG ARG 63 1HG ARG 63 9.686 7.963 -0.002 507 1HD ARG 63 2HD ARG 63 9.772 6.041 1.156 508 2HD ARG 63 1HD ARG 63 8.031 5.790 1.045 509 HE ARG 63 HE ARG 63 8.958 5.258 -1.478 510 1HH1 ARG 63 1HH1 ARG 63 9.749 4.030 1.725 511 2HH1 ARG 63 2HH1 ARG 63 10.136 2.444 1.140 512 1HH2 ARG 63 1HH2 ARG 63 9.428 3.171 -2.217 513 2HH2 ARG 63 2HH2 ARG 63 9.948 1.951 -1.086 514 H LYS 64 H LYS 64 4.871 9.732 0.219 515 HA LYS 64 HA LYS 64 3.971 9.745 2.896 516 1HB LYS 64 2HB LYS 64 2.785 11.154 0.498 517 2HB LYS 64 1HB LYS 64 2.453 11.528 2.180 518 1HG LYS 64 2HG LYS 64 5.084 11.840 0.754 519 2HG LYS 64 1HG LYS 64 4.010 13.129 1.296 520 1HD LYS 64 2HD LYS 64 5.318 11.141 3.146 521 2HD LYS 64 1HD LYS 64 6.002 12.720 2.766 522 1HE LYS 64 2HE LYS 64 3.294 12.255 4.007 523 2HE LYS 64 1HE LYS 64 4.755 12.673 4.901 524 1HZ LYS 64 1HZ LYS 64 3.618 14.673 4.589 525 2HZ LYS 64 2HZ LYS 64 3.248 14.336 2.970 526 3HZ LYS 64 3HZ LYS 64 4.837 14.708 3.411 527 H ASP 65 H ASP 65 2.578 8.488 -0.108 528 HA ASP 65 HA ASP 65 0.081 7.718 0.997 529 1HB ASP 65 2HB ASP 65 1.616 6.570 -1.348 530 2HB ASP 65 1HB ASP 65 -0.042 6.165 -0.945 531 H LEU 66 H LEU 66 3.182 6.119 0.556 532 HA LEU 66 HA LEU 66 2.525 3.575 1.510 533 1HB LEU 66 2HB LEU 66 4.614 4.144 0.328 534 2HB LEU 66 1HB LEU 66 5.160 5.032 1.738 535 HG LEU 66 HG LEU 66 5.056 2.897 3.039 536 1HD1 LEU 66 1HD1 LEU 66 4.653 1.684 0.310 537 2HD1 LEU 66 2HD1 LEU 66 3.473 1.704 1.620 538 3HD1 LEU 66 3HD1 LEU 66 4.975 0.799 1.801 539 1HD2 LEU 66 1HD2 LEU 66 7.117 1.984 2.100 540 2HD2 LEU 66 2HD2 LEU 66 7.158 3.747 2.162 541 3HD2 LEU 66 3HD2 LEU 66 6.862 2.924 0.630 542 H ALA 67 H ALA 67 3.328 6.527 3.173 543 HA ALA 67 HA ALA 67 3.820 5.440 5.725 544 1HB ALA 67 1HB ALA 67 2.823 8.189 5.000 545 2HB ALA 67 2HB ALA 67 4.512 7.694 5.108 546 3HB ALA 67 3HB ALA 67 3.503 7.712 6.555 547 H LEU 68 H LEU 68 0.904 5.962 3.975 548 HA LEU 68 HA LEU 68 -0.782 5.962 6.339 549 1HB LEU 68 2HB LEU 68 -1.496 5.833 3.409 550 2HB LEU 68 1HB LEU 68 -2.643 6.016 4.722 551 HG LEU 68 HG LEU 68 -0.493 8.008 4.005 552 1HD1 LEU 68 1HD1 LEU 68 -2.366 9.391 3.229 553 2HD1 LEU 68 2HD1 LEU 68 -3.464 8.039 3.510 554 3HD1 LEU 68 3HD1 LEU 68 -2.195 7.906 2.293 555 1HD2 LEU 68 1HD2 LEU 68 -2.761 8.167 5.984 556 2HD2 LEU 68 2HD2 LEU 68 -1.655 9.478 5.570 557 3HD2 LEU 68 3HD2 LEU 68 -1.045 8.032 6.376 558 H LEU 69 H LEU 69 0.644 3.677 4.263 559 HA LEU 69 HA LEU 69 -1.330 1.621 4.975 560 1HB LEU 69 2HB LEU 69 0.854 1.591 2.889 561 2HB LEU 69 1HB LEU 69 -0.274 0.283 3.191 562 HG LEU 69 HG LEU 69 -1.048 3.037 2.213 563 1HD1 LEU 69 1HD1 LEU 69 -0.766 0.419 0.744 564 2HD1 LEU 69 2HD1 LEU 69 0.204 1.874 0.508 565 3HD1 LEU 69 3HD1 LEU 69 -1.507 1.875 0.081 566 1HD2 LEU 69 1HD2 LEU 69 -2.817 1.956 3.499 567 2HD2 LEU 69 2HD2 LEU 69 -2.655 0.499 2.519 568 3HD2 LEU 69 3HD2 LEU 69 -3.232 1.995 1.784 569 H THR 70 H THR 70 -0.757 -0.155 6.148 570 HA THR 70 HA THR 70 2.011 -0.276 7.124 571 HB THR 70 HB THR 70 -0.340 -1.878 8.098 572 HG1 THR 70 1HG THR 70 0.105 0.725 8.415 573 1HG2 THR 70 1HG2 THR 70 2.335 -1.278 9.349 574 2HG2 THR 70 2HG2 THR 70 1.842 -2.820 8.651 575 3HG2 THR 70 3HG2 THR 70 1.038 -2.207 10.097 576 H LEU 71 H LEU 71 3.319 -1.583 6.083 577 HA LEU 71 HA LEU 71 2.180 -3.917 4.687 578 1HB LEU 71 2HB LEU 71 4.580 -2.263 3.896 579 2HB LEU 71 1HB LEU 71 4.025 -3.701 3.066 580 HG LEU 71 HG LEU 71 2.577 -1.062 3.249 581 1HD1 LEU 71 1HD1 LEU 71 3.820 -2.539 0.934 582 2HD1 LEU 71 2HD1 LEU 71 4.449 -1.079 1.697 583 3HD1 LEU 71 3HD1 LEU 71 2.915 -1.030 0.828 584 1HD2 LEU 71 1HD2 LEU 71 1.735 -3.612 1.880 585 2HD2 LEU 71 2HD2 LEU 71 0.894 -2.063 1.816 586 3HD2 LEU 71 3HD2 LEU 71 1.008 -2.941 3.341 587 H VAL 72 H VAL 72 3.258 -5.835 4.763 588 HA VAL 72 HA VAL 72 5.775 -5.945 6.286 589 HB VAL 72 HB VAL 72 5.060 -8.286 7.016 590 1HG1 VAL 72 1HG1 VAL 72 3.804 -7.445 8.949 591 2HG1 VAL 72 2HG1 VAL 72 3.572 -5.906 8.116 592 3HG1 VAL 72 3HG1 VAL 72 5.194 -6.428 8.570 593 1HG2 VAL 72 1HG2 VAL 72 2.635 -8.670 7.207 594 2HG2 VAL 72 2HG2 VAL 72 3.162 -8.581 5.526 595 3HG2 VAL 72 3HG2 VAL 72 2.342 -7.207 6.267 596 HA PRO 73 HA PRO 73 6.965 -7.571 2.299 597 1HB PRO 73 2HB PRO 73 9.542 -8.064 3.639 598 2HB PRO 73 1HB PRO 73 9.185 -7.061 2.230 599 1HG PRO 73 2HG PRO 73 9.814 -5.983 4.610 600 2HG PRO 73 1HG PRO 73 8.648 -5.218 3.516 601 1HD PRO 73 2HD PRO 73 8.154 -6.850 5.975 602 2HD PRO 73 1HD PRO 73 7.323 -5.386 5.404 603 H LEU 74 H LEU 74 7.683 -9.594 1.425 604 HA LEU 74 HA LEU 74 7.203 -11.853 3.192 605 1HB LEU 74 2HB LEU 74 7.581 -11.664 0.201 606 2HB LEU 74 1HB LEU 74 7.241 -13.143 1.068 607 HG LEU 74 HG LEU 74 5.410 -10.749 0.941 608 1HD1 LEU 74 1HD1 LEU 74 5.213 -13.431 -0.416 609 2HD1 LEU 74 2HD1 LEU 74 5.575 -11.893 -1.201 610 3HD1 LEU 74 3HD1 LEU 74 3.997 -12.154 -0.459 611 1HD2 LEU 74 1HD2 LEU 74 3.774 -12.206 2.005 612 2HD2 LEU 74 2HD2 LEU 74 5.195 -12.000 3.028 613 3HD2 LEU 74 3HD2 LEU 74 4.975 -13.492 2.114 614 H ASP 75 H ASP 75 9.740 -10.082 1.860 615 HA ASP 75 HA ASP 75 11.669 -12.130 2.702 616 1HB ASP 75 2HB ASP 75 11.830 -11.959 0.292 617 2HB ASP 75 1HB ASP 75 11.895 -10.202 0.379 Start of MODEL 6 1 HA MET 1 HA MET 1 11.029 -0.223 -23.021 2 1HB MET 1 2HB MET 1 11.805 -2.265 -25.111 3 2HB MET 1 1HB MET 1 10.277 -2.275 -24.243 4 1HG MET 1 2HG MET 1 9.692 -0.133 -25.199 5 2HG MET 1 1HG MET 1 11.253 -0.048 -26.014 6 1HE MET 1 1HE MET 1 8.704 -0.600 -28.942 7 2HE MET 1 2HE MET 1 9.962 0.446 -28.280 8 3HE MET 1 3HE MET 1 8.407 0.305 -27.459 9 H SER 2 H SER 2 11.964 -0.526 -20.975 10 HA SER 2 HA SER 2 11.892 -3.135 -19.956 11 1HB SER 2 2HB SER 2 14.356 -3.294 -19.304 12 2HB SER 2 1HB SER 2 13.988 -3.594 -21.002 13 HG SER 2 HG SER 2 15.773 -2.195 -20.763 14 H ALA 3 H ALA 3 10.852 -0.576 -19.353 15 HA ALA 3 HA ALA 3 12.379 0.587 -17.203 16 1HB ALA 3 1HB ALA 3 11.037 1.980 -18.709 17 2HB ALA 3 2HB ALA 3 10.568 2.181 -17.021 18 3HB ALA 3 3HB ALA 3 9.571 1.207 -18.104 19 H LEU 4 H LEU 4 12.418 -1.515 -16.008 20 HA LEU 4 HA LEU 4 10.536 -1.373 -13.865 21 1HB LEU 4 2HB LEU 4 9.932 -3.852 -14.119 22 2HB LEU 4 1HB LEU 4 9.087 -2.681 -15.109 23 HG LEU 4 HG LEU 4 10.774 -3.281 -16.951 24 1HD1 LEU 4 1HD1 LEU 4 11.713 -5.539 -16.806 25 2HD1 LEU 4 2HD1 LEU 4 11.171 -5.650 -15.132 26 3HD1 LEU 4 3HD1 LEU 4 12.393 -4.461 -15.587 27 1HD2 LEU 4 1HD2 LEU 4 8.422 -3.915 -16.997 28 2HD2 LEU 4 2HD2 LEU 4 8.780 -5.339 -16.020 29 3HD2 LEU 4 3HD2 LEU 4 9.440 -5.202 -17.649 30 H GLN 5 H GLN 5 11.061 -2.799 -12.103 31 HA GLN 5 HA GLN 5 13.545 -4.281 -12.213 32 1HB GLN 5 2HB GLN 5 14.271 -1.953 -11.721 33 2HB GLN 5 1HB GLN 5 13.214 -1.939 -10.318 34 1HG GLN 5 2HG GLN 5 14.526 -3.747 -9.319 35 2HG GLN 5 1HG GLN 5 15.592 -3.739 -10.723 36 1HE2 GLN 5 1HE2 GLN 5 16.168 -3.240 -7.896 37 2HE2 GLN 5 2HE2 GLN 5 16.890 -1.671 -7.836 38 HA PRO 6 HA PRO 6 10.297 -5.938 -9.403 39 1HB PRO 6 2HB PRO 6 9.951 -8.327 -10.563 40 2HB PRO 6 1HB PRO 6 9.189 -6.871 -11.210 41 1HG PRO 6 2HG PRO 6 11.586 -8.348 -12.184 42 2HG PRO 6 1HG PRO 6 10.329 -7.510 -13.109 43 1HD PRO 6 2HD PRO 6 12.860 -6.498 -12.491 44 2HD PRO 6 1HD PRO 6 11.471 -5.543 -13.043 45 H SER 7 H SER 7 10.550 -7.388 -7.689 46 HA SER 7 HA SER 7 12.597 -9.370 -7.655 47 1HB SER 7 2HB SER 7 13.826 -7.126 -7.372 48 2HB SER 7 1HB SER 7 13.082 -7.059 -5.776 49 HG SER 7 HG SER 7 14.741 -9.144 -6.766 50 H ARG 8 H ARG 8 10.932 -7.186 -5.357 51 HA ARG 8 HA ARG 8 10.445 -9.522 -3.651 52 1HB ARG 8 2HB ARG 8 10.425 -6.572 -3.006 53 2HB ARG 8 1HB ARG 8 10.047 -7.848 -1.858 54 1HG ARG 8 2HG ARG 8 12.268 -8.698 -1.958 55 2HG ARG 8 1HG ARG 8 12.669 -7.620 -3.293 56 1HD ARG 8 2HD ARG 8 12.270 -5.687 -1.801 57 2HD ARG 8 1HD ARG 8 11.974 -6.808 -0.474 58 HE ARG 8 HE ARG 8 14.415 -7.563 -1.282 59 1HH1 ARG 8 1HH1 ARG 8 13.052 -4.427 -0.535 60 2HH1 ARG 8 2HH1 ARG 8 14.562 -3.737 -0.023 61 1HH2 ARG 8 1HH2 ARG 8 16.407 -6.669 -0.611 62 2HH2 ARG 8 2HH2 ARG 8 16.486 -5.010 -0.101 63 H SER 9 H SER 9 8.488 -9.321 -2.261 64 HA SER 9 HA SER 9 6.241 -7.923 -3.524 65 1HB SER 9 2HB SER 9 6.222 -10.360 -4.208 66 2HB SER 9 1HB SER 9 6.021 -10.769 -2.506 67 HG SER 9 HG SER 9 4.254 -8.874 -3.460 68 H TYR 10 H TYR 10 4.764 -7.122 -2.050 69 HA TYR 10 HA TYR 10 5.511 -7.449 0.782 70 1HB TYR 10 2HB TYR 10 4.472 -4.873 -0.406 71 2HB TYR 10 1HB TYR 10 5.236 -5.114 1.162 72 HD1 TYR 10 1HD TYR 10 5.742 -4.193 -2.244 73 HD2 TYR 10 2HD TYR 10 7.716 -5.811 1.160 74 HE1 TYR 10 1HE TYR 10 7.914 -3.598 -3.229 75 HE2 TYR 10 2HE TYR 10 9.893 -5.220 0.182 76 HH TYR 10 HH TYR 10 10.229 -3.143 -2.449 77 H ARG 11 H ARG 11 3.880 -7.981 2.097 78 HA ARG 11 HA ARG 11 1.176 -8.094 1.009 79 1HB ARG 11 2HB ARG 11 2.028 -8.933 3.776 80 2HB ARG 11 1HB ARG 11 0.600 -9.436 2.892 81 1HG ARG 11 2HG ARG 11 2.069 -10.636 1.298 82 2HG ARG 11 1HG ARG 11 3.448 -10.218 2.320 83 1HD ARG 11 2HD ARG 11 2.224 -11.316 4.223 84 2HD ARG 11 1HD ARG 11 1.063 -11.912 3.041 85 HE ARG 11 HE ARG 11 3.926 -12.630 3.083 86 1HH1 ARG 11 1HH1 ARG 11 0.587 -13.385 2.359 87 2HH1 ARG 11 2HH1 ARG 11 0.930 -15.028 1.898 88 1HH2 ARG 11 1HH2 ARG 11 4.372 -14.792 2.528 89 2HH2 ARG 11 2HH2 ARG 11 3.080 -15.822 1.986 90 H ILE 12 H ILE 12 -0.562 -6.992 1.876 91 HA ILE 12 HA ILE 12 0.103 -4.641 3.481 92 HB ILE 12 HB ILE 12 -2.611 -5.438 2.389 93 1HG1 ILE 12 2HG1 ILE 12 -0.534 -3.622 1.151 94 2HG1 ILE 12 1HG1 ILE 12 -1.009 -5.204 0.543 95 1HG2 ILE 12 1HG2 ILE 12 -1.528 -2.797 3.365 96 2HG2 ILE 12 2HG2 ILE 12 -2.707 -3.818 4.191 97 3HG2 ILE 12 3HG2 ILE 12 -3.125 -3.050 2.660 98 1HD1 ILE 12 1HD1 ILE 12 -2.047 -3.417 -0.735 99 2HD1 ILE 12 2HD1 ILE 12 -2.795 -2.790 0.735 100 3HD1 ILE 12 3HD1 ILE 12 -3.261 -4.374 0.117 101 H THR 13 H THR 13 0.158 -4.942 5.623 102 HA THR 13 HA THR 13 -1.349 -7.023 6.919 103 HB THR 13 HB THR 13 0.178 -4.789 8.216 104 HG1 THR 13 1HG THR 13 1.018 -7.230 7.063 105 1HG2 THR 13 1HG2 THR 13 -1.258 -6.051 9.736 106 2HG2 THR 13 2HG2 THR 13 0.443 -6.385 10.063 107 3HG2 THR 13 3HG2 THR 13 -0.531 -7.560 9.178 108 H GLY 14 H GLY 14 -1.796 -3.713 6.157 109 1HA GLY 14 2HA GLY 14 -4.433 -3.469 6.579 110 2HA GLY 14 1HA GLY 14 -3.794 -3.242 8.201 111 H TYR 15 H TYR 15 -4.259 -1.110 8.473 112 HA TYR 15 HA TYR 15 -2.939 0.744 6.597 113 1HB TYR 15 2HB TYR 15 -5.438 1.331 8.194 114 2HB TYR 15 1HB TYR 15 -4.700 2.343 6.959 115 HD1 TYR 15 1HD TYR 15 -6.646 -0.725 7.558 116 HD2 TYR 15 2HD TYR 15 -5.126 1.961 4.634 117 HE1 TYR 15 1HE TYR 15 -8.123 -1.734 5.877 118 HE2 TYR 15 2HE TYR 15 -6.599 0.955 2.940 119 HH TYR 15 HH TYR 15 -7.827 -1.052 2.513 120 H SER 16 H SER 16 -2.035 2.653 7.565 121 HA SER 16 HA SER 16 -0.753 2.092 10.028 122 1HB SER 16 2HB SER 16 0.210 4.351 9.693 123 2HB SER 16 1HB SER 16 0.340 3.352 8.253 124 HG SER 16 HG SER 16 -0.440 5.244 7.512 125 HA PRO 17 HA PRO 17 -3.498 4.205 12.876 126 1HB PRO 17 2HB PRO 17 -1.206 5.197 14.394 127 2HB PRO 17 1HB PRO 17 -2.405 3.986 14.854 128 1HG PRO 17 2HG PRO 17 0.174 3.355 14.328 129 2HG PRO 17 1HG PRO 17 -1.170 2.246 13.996 130 1HD PRO 17 2HD PRO 17 0.329 4.029 12.106 131 2HD PRO 17 1HD PRO 17 -0.213 2.352 11.877 132 H ALA 18 H ALA 18 -1.783 5.695 10.640 133 HA ALA 18 HA ALA 18 -2.119 8.421 11.673 134 1HB ALA 18 1HB ALA 18 -0.684 9.099 9.799 135 2HB ALA 18 2HB ALA 18 -0.585 7.415 9.279 136 3HB ALA 18 3HB ALA 18 0.101 7.900 10.830 137 H ILE 19 H ILE 19 -3.554 6.121 9.623 138 HA ILE 19 HA ILE 19 -4.810 8.103 7.897 139 HB ILE 19 HB ILE 19 -4.063 5.906 6.978 140 1HG1 ILE 19 2HG1 ILE 19 -7.035 6.430 6.802 141 2HG1 ILE 19 1HG1 ILE 19 -5.790 7.233 5.845 142 1HG2 ILE 19 1HG2 ILE 19 -4.581 4.457 8.820 143 2HG2 ILE 19 2HG2 ILE 19 -5.480 3.928 7.400 144 3HG2 ILE 19 3HG2 ILE 19 -6.301 4.822 8.680 145 1HD1 ILE 19 1HD1 ILE 19 -5.210 5.123 4.803 146 2HD1 ILE 19 2HD1 ILE 19 -6.924 5.483 4.590 147 3HD1 ILE 19 3HD1 ILE 19 -6.415 4.292 5.787 148 H SER 20 H SER 20 -7.025 8.580 7.903 149 HA SER 20 HA SER 20 -8.780 7.439 9.880 150 1HB SER 20 2HB SER 20 -7.271 8.953 11.222 151 2HB SER 20 1HB SER 20 -7.887 10.309 10.282 152 HG SER 20 HG SER 20 -9.035 10.141 12.200 153 H ASN 21 H ASN 21 -10.730 9.161 10.097 154 HA ASN 21 HA ASN 21 -12.483 10.214 9.130 155 1HB ASN 21 2HB ASN 21 -10.432 11.810 8.652 156 2HB ASN 21 1HB ASN 21 -10.738 11.347 6.981 157 1HD2 ASN 21 1HD2 ASN 21 -12.746 11.893 6.038 158 2HD2 ASN 21 2HD2 ASN 21 -13.728 13.167 6.687 159 H GLY 22 H GLY 22 -11.878 7.540 8.216 160 1HA GLY 22 2HA GLY 22 -13.065 6.138 6.810 161 2HA GLY 22 1HA GLY 22 -13.738 7.553 6.024 162 H TYR 23 H TYR 23 -10.403 7.836 6.024 163 HA TYR 23 HA TYR 23 -10.154 7.491 3.244 164 1HB TYR 23 2HB TYR 23 -8.284 7.894 5.530 165 2HB TYR 23 1HB TYR 23 -7.610 7.365 4.004 166 HD1 TYR 23 1HD TYR 23 -9.765 10.017 5.485 167 HD2 TYR 23 2HD TYR 23 -7.102 8.931 2.353 168 HE1 TYR 23 1HE TYR 23 -9.734 12.349 4.712 169 HE2 TYR 23 2HE TYR 23 -7.063 11.262 1.567 170 HH TYR 23 HH TYR 23 -8.208 13.839 3.422 171 H ARG 24 H ARG 24 -9.954 5.226 5.864 172 HA ARG 24 HA ARG 24 -8.577 3.138 4.571 173 1HB ARG 24 2HB ARG 24 -10.440 3.414 6.873 174 2HB ARG 24 1HB ARG 24 -10.249 1.813 6.193 175 1HG ARG 24 2HG ARG 24 -7.842 1.923 6.576 176 2HG ARG 24 1HG ARG 24 -8.029 3.548 7.239 177 1HD ARG 24 2HD ARG 24 -9.219 2.758 9.114 178 2HD ARG 24 1HD ARG 24 -9.503 1.187 8.370 179 HE ARG 24 HE ARG 24 -7.224 0.622 8.784 180 1HH1 ARG 24 1HH1 ARG 24 -8.229 3.633 10.247 181 2HH1 ARG 24 2HH1 ARG 24 -6.954 3.633 11.429 182 1HH2 ARG 24 1HH2 ARG 24 -5.541 0.608 10.342 183 2HH2 ARG 24 2HH2 ARG 24 -5.436 1.908 11.485 184 H GLN 25 H GLN 25 -12.021 4.001 4.691 185 HA GLN 25 HA GLN 25 -12.927 1.837 3.134 186 1HB GLN 25 2HB GLN 25 -14.114 4.580 3.538 187 2HB GLN 25 1HB GLN 25 -14.956 3.208 2.852 188 1HG GLN 25 2HG GLN 25 -14.780 2.011 4.957 189 2HG GLN 25 1HG GLN 25 -13.870 3.351 5.653 190 1HE2 GLN 25 1HE2 GLN 25 -15.509 5.342 4.271 191 2HE2 GLN 25 2HE2 GLN 25 -17.013 5.401 5.132 192 H ARG 26 H ARG 26 -11.775 5.052 2.420 193 HA ARG 26 HA ARG 26 -12.311 5.137 -0.317 194 1HB ARG 26 2HB ARG 26 -10.369 6.470 1.521 195 2HB ARG 26 1HB ARG 26 -10.210 6.706 -0.204 196 1HG ARG 26 2HG ARG 26 -12.564 7.502 -0.253 197 2HG ARG 26 1HG ARG 26 -12.575 7.397 1.510 198 1HD ARG 26 2HD ARG 26 -10.754 8.997 1.642 199 2HD ARG 26 1HD ARG 26 -10.656 9.059 -0.118 200 HE ARG 26 HE ARG 26 -13.270 9.726 0.822 201 1HH1 ARG 26 1HH1 ARG 26 -10.037 10.996 0.329 202 2HH1 ARG 26 2HH1 ARG 26 -10.558 12.649 0.233 203 1HH2 ARG 26 1HH2 ARG 26 -13.954 11.899 0.702 204 2HH2 ARG 26 2HH2 ARG 26 -12.782 13.164 0.478 205 H LEU 27 H LEU 27 -9.515 3.949 1.489 206 HA LEU 27 HA LEU 27 -7.985 3.282 -0.817 207 1HB LEU 27 2HB LEU 27 -7.809 2.510 2.086 208 2HB LEU 27 1HB LEU 27 -6.705 1.857 0.900 209 HG LEU 27 HG LEU 27 -7.024 4.768 1.632 210 1HD1 LEU 27 1HD1 LEU 27 -4.736 4.542 2.458 211 2HD1 LEU 27 2HD1 LEU 27 -4.767 2.822 2.068 212 3HD1 LEU 27 3HD1 LEU 27 -5.845 3.464 3.307 213 1HD2 LEU 27 1HD2 LEU 27 -5.156 3.475 -0.352 214 2HD2 LEU 27 2HD2 LEU 27 -5.151 5.173 0.126 215 3HD2 LEU 27 3HD2 LEU 27 -6.530 4.505 -0.748 216 H PHE 28 H PHE 28 -10.109 1.480 1.328 217 HA PHE 28 HA PHE 28 -9.777 -1.092 0.287 218 1HB PHE 28 2HB PHE 28 -11.059 -0.424 2.351 219 2HB PHE 28 1HB PHE 28 -12.363 0.105 1.301 220 HD1 PHE 28 1HD PHE 28 -13.745 -1.493 0.129 221 HD2 PHE 28 2HD PHE 28 -10.581 -2.773 2.662 222 HE1 PHE 28 1HE PHE 28 -14.668 -3.772 0.118 223 HE2 PHE 28 2HE PHE 28 -11.493 -5.058 2.655 224 HZ PHE 28 HZ PHE 28 -13.540 -5.558 1.383 225 H SER 29 H SER 29 -12.050 1.455 -0.605 226 HA SER 29 HA SER 29 -13.415 0.062 -2.624 227 1HB SER 29 2HB SER 29 -12.972 3.030 -2.257 228 2HB SER 29 1HB SER 29 -14.162 2.310 -3.335 229 HG SER 29 HG SER 29 -14.072 2.291 -0.510 230 H MET 30 H MET 30 -10.404 1.802 -2.633 231 HA MET 30 HA MET 30 -10.217 1.816 -5.517 232 1HB MET 30 2HB MET 30 -8.412 2.752 -3.309 233 2HB MET 30 1HB MET 30 -7.830 2.649 -4.962 234 1HG MET 30 2HG MET 30 -9.702 4.123 -5.654 235 2HG MET 30 1HG MET 30 -10.128 4.304 -3.953 236 1HE MET 30 1HE MET 30 -8.594 5.541 -2.161 237 2HE MET 30 2HE MET 30 -6.974 6.139 -2.520 238 3HE MET 30 3HE MET 30 -7.301 4.406 -2.540 239 H GLY 31 H GLY 31 -9.524 -0.384 -3.033 240 1HA GLY 31 2HA GLY 31 -9.208 -2.667 -3.871 241 2HA GLY 31 1HA GLY 31 -8.037 -2.012 -5.003 242 H LEU 32 H LEU 32 -7.564 -0.405 -2.170 243 HA LEU 32 HA LEU 32 -5.293 -2.141 -1.530 244 1HB LEU 32 2HB LEU 32 -5.917 0.679 -0.652 245 2HB LEU 32 1HB LEU 32 -4.459 -0.207 -0.247 246 HG LEU 32 HG LEU 32 -5.291 0.562 -3.047 247 1HD1 LEU 32 1HD1 LEU 32 -3.162 1.740 -1.270 248 2HD1 LEU 32 2HD1 LEU 32 -4.685 2.513 -1.708 249 3HD1 LEU 32 3HD1 LEU 32 -3.478 2.178 -2.949 250 1HD2 LEU 32 1HD2 LEU 32 -3.963 -1.474 -2.996 251 2HD2 LEU 32 2HD2 LEU 32 -2.751 -0.677 -1.992 252 3HD2 LEU 32 3HD2 LEU 32 -3.016 -0.138 -3.651 253 H LEU 33 H LEU 33 -5.937 -3.704 -0.175 254 HA LEU 33 HA LEU 33 -7.221 -2.916 2.326 255 1HB LEU 33 2HB LEU 33 -8.696 -4.974 2.078 256 2HB LEU 33 1HB LEU 33 -9.105 -3.577 1.105 257 HG LEU 33 HG LEU 33 -7.716 -4.794 -0.748 258 1HD1 LEU 33 1HD1 LEU 33 -8.487 -7.112 1.012 259 2HD1 LEU 33 2HD1 LEU 33 -6.844 -6.560 0.690 260 3HD1 LEU 33 3HD1 LEU 33 -7.826 -7.217 -0.620 261 1HD2 LEU 33 1HD2 LEU 33 -10.087 -4.329 -0.904 262 2HD2 LEU 33 2HD2 LEU 33 -10.451 -5.718 0.119 263 3HD2 LEU 33 3HD2 LEU 33 -9.748 -5.960 -1.481 264 HA PRO 34 HA PRO 34 -4.371 -5.656 4.267 265 1HB PRO 34 2HB PRO 34 -6.527 -6.627 6.030 266 2HB PRO 34 1HB PRO 34 -5.047 -5.753 6.438 267 1HG PRO 34 2HG PRO 34 -7.454 -4.570 6.558 268 2HG PRO 34 1HG PRO 34 -5.999 -3.689 6.055 269 1HD PRO 34 2HD PRO 34 -8.203 -4.824 4.373 270 2HD PRO 34 1HD PRO 34 -7.348 -3.275 4.213 271 H GLY 35 H GLY 35 -3.638 -7.661 3.939 272 1HA GLY 35 2HA GLY 35 -4.029 -10.061 3.965 273 2HA GLY 35 1HA GLY 35 -5.598 -9.755 3.235 274 H ALA 36 H ALA 36 -4.386 -7.736 1.408 275 HA ALA 36 HA ALA 36 -3.632 -9.616 -0.640 276 1HB ALA 36 1HB ALA 36 -4.138 -6.642 -0.788 277 2HB ALA 36 2HB ALA 36 -5.308 -7.910 -1.157 278 3HB ALA 36 3HB ALA 36 -3.873 -7.716 -2.162 279 H ALA 37 H ALA 37 -1.798 -9.315 -1.905 280 HA ALA 37 HA ALA 37 0.384 -7.761 -0.696 281 1HB ALA 37 1HB ALA 37 0.613 -10.576 -1.760 282 2HB ALA 37 2HB ALA 37 0.652 -10.103 -0.062 283 3HB ALA 37 3HB ALA 37 1.942 -9.590 -1.148 284 H LEU 38 H LEU 38 1.699 -6.701 -2.079 285 HA LEU 38 HA LEU 38 1.046 -6.884 -4.942 286 1HB LEU 38 2HB LEU 38 2.388 -4.642 -3.428 287 2HB LEU 38 1HB LEU 38 2.008 -4.634 -5.133 288 HG LEU 38 HG LEU 38 0.391 -3.285 -4.120 289 1HD1 LEU 38 1HD1 LEU 38 -0.540 -4.820 -5.757 290 2HD1 LEU 38 2HD1 LEU 38 -1.712 -4.438 -4.498 291 3HD1 LEU 38 3HD1 LEU 38 -0.873 -5.989 -4.478 292 1HD2 LEU 38 1HD2 LEU 38 -0.006 -5.453 -2.072 293 2HD2 LEU 38 2HD2 LEU 38 -0.993 -3.998 -2.208 294 3HD2 LEU 38 3HD2 LEU 38 0.720 -3.866 -1.810 295 H ARG 39 H ARG 39 2.620 -7.232 -6.424 296 HA ARG 39 HA ARG 39 5.292 -7.914 -5.431 297 1HB ARG 39 2HB ARG 39 4.066 -9.429 -7.038 298 2HB ARG 39 1HB ARG 39 4.208 -8.162 -8.248 299 1HG ARG 39 2HG ARG 39 6.678 -8.312 -8.046 300 2HG ARG 39 1HG ARG 39 6.464 -9.670 -6.940 301 1HD ARG 39 2HD ARG 39 5.224 -10.867 -8.711 302 2HD ARG 39 1HD ARG 39 5.558 -9.535 -9.814 303 HE ARG 39 HE ARG 39 7.714 -11.131 -8.583 304 1HH1 ARG 39 1HH1 ARG 39 6.219 -9.609 -11.361 305 2HH1 ARG 39 2HH1 ARG 39 7.429 -10.177 -12.471 306 1HH2 ARG 39 1HH2 ARG 39 9.334 -11.855 -10.070 307 2HH2 ARG 39 2HH2 ARG 39 9.192 -11.415 -11.752 308 H VAL 40 H VAL 40 7.071 -6.638 -5.852 309 HA VAL 40 HA VAL 40 6.490 -3.939 -6.588 310 HB VAL 40 HB VAL 40 8.204 -4.572 -4.873 311 1HG1 VAL 40 1HG1 VAL 40 10.466 -5.113 -5.628 312 2HG1 VAL 40 2HG1 VAL 40 9.865 -5.290 -7.277 313 3HG1 VAL 40 3HG1 VAL 40 9.310 -6.388 -6.014 314 1HG2 VAL 40 1HG2 VAL 40 9.131 -2.799 -7.124 315 2HG2 VAL 40 2HG2 VAL 40 9.768 -2.792 -5.479 316 3HG2 VAL 40 3HG2 VAL 40 8.093 -2.327 -5.779 317 H VAL 41 H VAL 41 6.566 -2.993 -8.487 318 HA VAL 41 HA VAL 41 7.769 -4.450 -10.719 319 HB VAL 41 HB VAL 41 5.963 -2.027 -10.774 320 1HG1 VAL 41 1HG1 VAL 41 5.770 -2.503 -13.179 321 2HG1 VAL 41 2HG1 VAL 41 6.972 -3.782 -13.010 322 3HG1 VAL 41 3HG1 VAL 41 7.423 -2.102 -12.713 323 1HG2 VAL 41 1HG2 VAL 41 4.264 -3.601 -11.617 324 2HG2 VAL 41 2HG2 VAL 41 4.778 -3.983 -9.976 325 3HG2 VAL 41 3HG2 VAL 41 5.382 -4.936 -11.330 326 H ARG 42 H ARG 42 7.852 -1.232 -9.146 327 HA ARG 42 HA ARG 42 10.601 -0.863 -9.713 328 1HB ARG 42 2HB ARG 42 9.580 -0.691 -12.014 329 2HB ARG 42 1HB ARG 42 8.770 0.769 -11.469 330 1HG ARG 42 2HG ARG 42 10.965 1.802 -11.043 331 2HG ARG 42 1HG ARG 42 11.745 0.340 -11.662 332 1HD ARG 42 2HD ARG 42 10.494 0.652 -13.788 333 2HD ARG 42 1HD ARG 42 9.897 2.186 -13.163 334 HE ARG 42 HE ARG 42 12.792 1.861 -13.259 335 1HH1 ARG 42 1HH1 ARG 42 9.873 3.176 -14.680 336 2HH1 ARG 42 2HH1 ARG 42 10.724 4.222 -15.788 337 1HH2 ARG 42 1HH2 ARG 42 13.920 3.219 -14.730 338 2HH2 ARG 42 2HH2 ARG 42 13.022 4.226 -15.824 339 H ILE 43 H ILE 43 11.385 0.632 -8.336 340 HA ILE 43 HA ILE 43 9.673 2.948 -7.637 341 HB ILE 43 HB ILE 43 12.052 1.869 -6.079 342 1HG1 ILE 43 2HG1 ILE 43 10.151 1.749 -4.265 343 2HG1 ILE 43 1HG1 ILE 43 9.091 1.670 -5.668 344 1HG2 ILE 43 1HG2 ILE 43 10.262 4.225 -5.464 345 2HG2 ILE 43 2HG2 ILE 43 11.940 4.316 -5.994 346 3HG2 ILE 43 3HG2 ILE 43 11.548 3.610 -4.427 347 1HD1 ILE 43 1HD1 ILE 43 11.343 -0.227 -5.056 348 2HD1 ILE 43 2HD1 ILE 43 10.273 -0.309 -6.455 349 3HD1 ILE 43 3HD1 ILE 43 9.623 -0.545 -4.832 350 H ALA 44 H ALA 44 10.408 4.866 -8.464 351 HA ALA 44 HA ALA 44 12.737 5.018 -10.070 352 1HB ALA 44 1HB ALA 44 11.128 7.280 -8.888 353 2HB ALA 44 2HB ALA 44 10.780 6.468 -10.416 354 3HB ALA 44 3HB ALA 44 12.269 7.395 -10.227 355 HA PRO 45 HA PRO 45 15.808 5.352 -6.849 356 1HB PRO 45 2HB PRO 45 17.356 6.632 -9.042 357 2HB PRO 45 1HB PRO 45 17.784 5.263 -8.010 358 1HG PRO 45 2HG PRO 45 17.074 4.879 -10.545 359 2HG PRO 45 1HG PRO 45 16.554 3.754 -9.277 360 1HD PRO 45 2HD PRO 45 15.003 5.906 -10.657 361 2HD PRO 45 1HD PRO 45 14.480 4.287 -10.149 362 H LEU 46 H LEU 46 14.501 7.962 -8.652 363 HA LEU 46 HA LEU 46 15.829 10.200 -7.683 364 1HB LEU 46 2HB LEU 46 13.024 9.667 -8.569 365 2HB LEU 46 1HB LEU 46 13.388 11.207 -7.823 366 HG LEU 46 HG LEU 46 13.491 11.489 -10.197 367 1HD1 LEU 46 1HD1 LEU 46 15.784 12.252 -10.503 368 2HD1 LEU 46 2HD1 LEU 46 16.288 11.326 -9.089 369 3HD1 LEU 46 3HD1 LEU 46 15.175 12.681 -8.905 370 1HD2 LEU 46 1HD2 LEU 46 13.781 9.167 -10.850 371 2HD2 LEU 46 2HD2 LEU 46 15.431 9.181 -10.228 372 3HD2 LEU 46 3HD2 LEU 46 15.004 10.182 -11.616 373 H GLY 47 H GLY 47 13.470 8.143 -6.152 374 1HA GLY 47 2HA GLY 47 14.022 8.718 -3.554 375 2HA GLY 47 1HA GLY 47 12.875 9.958 -4.028 376 H ASP 48 H ASP 48 10.830 9.223 -5.012 377 HA ASP 48 HA ASP 48 10.077 6.495 -4.581 378 1HB ASP 48 2HB ASP 48 9.881 6.945 -2.354 379 2HB ASP 48 1HB ASP 48 9.505 8.633 -2.602 380 HA PRO 49 HA PRO 49 6.175 6.903 -5.962 381 1HB PRO 49 2HB PRO 49 6.291 5.727 -8.376 382 2HB PRO 49 1HB PRO 49 6.523 7.470 -8.221 383 1HG PRO 49 2HG PRO 49 8.470 5.431 -8.956 384 2HG PRO 49 1HG PRO 49 8.636 7.193 -9.025 385 1HD PRO 49 2HD PRO 49 9.480 5.305 -6.896 386 2HD PRO 49 1HD PRO 49 10.085 6.938 -7.259 387 H ILE 50 H ILE 50 5.072 4.666 -6.656 388 HA ILE 50 HA ILE 50 6.870 2.407 -6.223 389 HB ILE 50 HB ILE 50 4.317 2.749 -4.600 390 1HG1 ILE 50 2HG1 ILE 50 7.210 2.583 -3.710 391 2HG1 ILE 50 1HG1 ILE 50 6.224 4.046 -3.714 392 1HG2 ILE 50 1HG2 ILE 50 4.872 0.594 -3.609 393 2HG2 ILE 50 2HG2 ILE 50 6.278 0.458 -4.666 394 3HG2 ILE 50 3HG2 ILE 50 4.652 0.445 -5.354 395 1HD1 ILE 50 1HD1 ILE 50 6.381 3.136 -1.486 396 2HD1 ILE 50 2HD1 ILE 50 5.773 1.578 -2.045 397 3HD1 ILE 50 3HD1 ILE 50 4.724 2.997 -2.073 398 H GLN 51 H GLN 51 6.612 1.531 -8.189 399 HA GLN 51 HA GLN 51 3.918 1.105 -9.233 400 1HB GLN 51 2HB GLN 51 6.241 1.685 -10.510 401 2HB GLN 51 1HB GLN 51 6.266 -0.069 -10.611 402 1HG GLN 51 2HG GLN 51 4.104 -0.066 -11.702 403 2HG GLN 51 1HG GLN 51 4.007 1.686 -11.545 404 1HE2 GLN 51 1HE2 GLN 51 3.882 2.087 -13.732 405 2HE2 GLN 51 2HE2 GLN 51 5.199 1.808 -14.823 406 H VAL 52 H VAL 52 2.854 -0.718 -8.761 407 HA VAL 52 HA VAL 52 4.367 -3.161 -8.177 408 HB VAL 52 HB VAL 52 2.823 -3.625 -6.232 409 1HG1 VAL 52 1HG1 VAL 52 4.144 -2.319 -4.628 410 2HG1 VAL 52 2HG1 VAL 52 4.780 -1.352 -5.959 411 3HG1 VAL 52 3HG1 VAL 52 5.141 -3.074 -5.868 412 1HG2 VAL 52 1HG2 VAL 52 2.311 -0.659 -6.443 413 2HG2 VAL 52 2HG2 VAL 52 1.844 -1.685 -5.088 414 3HG2 VAL 52 3HG2 VAL 52 1.129 -1.947 -6.678 415 H GLU 53 H GLU 53 2.979 -5.078 -8.084 416 HA GLU 53 HA GLU 53 0.636 -4.796 -9.860 417 1HB GLU 53 2HB GLU 53 2.493 -5.854 -11.025 418 2HB GLU 53 1HB GLU 53 2.703 -7.002 -9.713 419 1HG GLU 53 2HG GLU 53 0.415 -7.870 -10.215 420 2HG GLU 53 1HG GLU 53 0.401 -6.831 -11.640 421 H THR 54 H THR 54 -1.239 -5.773 -9.199 422 HA THR 54 HA THR 54 -1.185 -6.956 -6.535 423 HB THR 54 HB THR 54 -2.911 -5.288 -6.957 424 HG1 THR 54 1HG THR 54 -3.321 -7.663 -5.935 425 1HG2 THR 54 1HG2 THR 54 -3.925 -7.186 -9.071 426 2HG2 THR 54 2HG2 THR 54 -3.236 -5.585 -9.341 427 3HG2 THR 54 3HG2 THR 54 -4.774 -5.751 -8.496 428 H ARG 55 H ARG 55 -1.738 -7.839 -9.857 429 HA ARG 55 HA ARG 55 -1.135 -10.532 -9.562 430 1HB ARG 55 2HB ARG 55 -3.344 -10.529 -8.326 431 2HB ARG 55 1HB ARG 55 -4.112 -10.096 -9.847 432 1HG ARG 55 2HG ARG 55 -3.328 -12.174 -10.850 433 2HG ARG 55 1HG ARG 55 -2.528 -12.606 -9.337 434 1HD ARG 55 2HD ARG 55 -5.485 -12.250 -9.795 435 2HD ARG 55 1HD ARG 55 -4.636 -13.759 -9.460 436 HE ARG 55 HE ARG 55 -4.015 -12.461 -7.278 437 1HH1 ARG 55 1HH1 ARG 55 -7.101 -12.507 -8.948 438 2HH1 ARG 55 2HH1 ARG 55 -8.018 -12.136 -7.516 439 1HH2 ARG 55 1HH2 ARG 55 -5.222 -12.007 -5.404 440 2HH2 ARG 55 2HH2 ARG 55 -6.953 -11.920 -5.488 441 H GLN 56 H GLN 56 -3.660 -8.702 -11.285 442 HA GLN 56 HA GLN 56 -2.401 -9.499 -13.818 443 1HB GLN 56 2HB GLN 56 -4.791 -10.130 -13.439 444 2HB GLN 56 1HB GLN 56 -5.188 -8.421 -13.351 445 1HG GLN 56 2HG GLN 56 -5.728 -9.291 -15.533 446 2HG GLN 56 1HG GLN 56 -4.405 -8.131 -15.654 447 1HE2 GLN 56 1HE2 GLN 56 -5.288 -11.495 -15.834 448 2HE2 GLN 56 2HE2 GLN 56 -3.844 -12.038 -16.621 449 H THR 57 H THR 57 -3.538 -6.739 -11.944 450 HA THR 57 HA THR 57 -2.595 -4.958 -14.084 451 HB THR 57 HB THR 57 -4.980 -4.689 -13.581 452 HG1 THR 57 1HG THR 57 -3.751 -2.822 -14.168 453 1HG2 THR 57 1HG2 THR 57 -5.726 -3.816 -11.426 454 2HG2 THR 57 2HG2 THR 57 -4.081 -3.932 -10.802 455 3HG2 THR 57 3HG2 THR 57 -4.964 -5.395 -11.239 456 H SER 58 H SER 58 -1.357 -3.144 -13.555 457 HA SER 58 HA SER 58 0.007 -3.305 -10.960 458 1HB SER 58 2HB SER 58 1.837 -2.025 -12.359 459 2HB SER 58 1HB SER 58 1.691 -3.778 -12.477 460 HG SER 58 HG SER 58 1.362 -3.494 -14.518 461 H LEU 59 H LEU 59 0.453 -1.408 -9.858 462 HA LEU 59 HA LEU 59 -0.940 0.991 -10.804 463 1HB LEU 59 2HB LEU 59 -1.001 -0.194 -8.033 464 2HB LEU 59 1HB LEU 59 -1.556 1.420 -8.409 465 HG LEU 59 HG LEU 59 -3.163 0.223 -10.070 466 1HD1 LEU 59 1HD1 LEU 59 -3.837 -2.009 -9.363 467 2HD1 LEU 59 2HD1 LEU 59 -2.527 -2.037 -8.182 468 3HD1 LEU 59 3HD1 LEU 59 -2.160 -1.988 -9.907 469 1HD2 LEU 59 1HD2 LEU 59 -3.868 1.453 -8.089 470 2HD2 LEU 59 2HD2 LEU 59 -3.550 0.037 -7.088 471 3HD2 LEU 59 3HD2 LEU 59 -4.828 -0.010 -8.302 472 H ALA 60 H ALA 60 -0.242 2.979 -9.751 473 HA ALA 60 HA ALA 60 2.483 2.872 -8.630 474 1HB ALA 60 1HB ALA 60 1.521 4.870 -10.680 475 2HB ALA 60 2HB ALA 60 2.618 3.526 -10.999 476 3HB ALA 60 3HB ALA 60 3.114 4.832 -9.921 477 H LEU 61 H LEU 61 2.923 4.427 -7.031 478 HA LEU 61 HA LEU 61 0.878 6.327 -6.300 479 1HB LEU 61 2HB LEU 61 0.578 5.352 -4.023 480 2HB LEU 61 1HB LEU 61 -0.126 4.396 -5.307 481 HG LEU 61 HG LEU 61 2.177 3.107 -5.126 482 1HD1 LEU 61 1HD1 LEU 61 2.937 2.951 -2.816 483 2HD1 LEU 61 2HD1 LEU 61 1.821 4.239 -2.363 484 3HD1 LEU 61 3HD1 LEU 61 3.157 4.578 -3.461 485 1HD2 LEU 61 1HD2 LEU 61 -0.085 2.753 -3.172 486 2HD2 LEU 61 2HD2 LEU 61 1.091 1.521 -3.630 487 3HD2 LEU 61 3HD2 LEU 61 -0.048 2.141 -4.826 488 H ARG 62 H ARG 62 1.635 7.259 -3.969 489 HA ARG 62 HA ARG 62 4.568 7.494 -4.192 490 1HB ARG 62 2HB ARG 62 2.781 9.714 -3.235 491 2HB ARG 62 1HB ARG 62 4.474 9.802 -3.692 492 1HG ARG 62 2HG ARG 62 2.150 9.333 -5.507 493 2HG ARG 62 1HG ARG 62 3.094 10.804 -5.379 494 1HD ARG 62 2HD ARG 62 4.125 8.126 -6.299 495 2HD ARG 62 1HD ARG 62 3.695 9.469 -7.352 496 HE ARG 62 HE ARG 62 5.975 9.425 -5.480 497 1HH1 ARG 62 1HH1 ARG 62 4.316 10.765 -8.254 498 2HH1 ARG 62 2HH1 ARG 62 5.687 11.673 -8.818 499 1HH2 ARG 62 1HH2 ARG 62 7.787 10.614 -6.197 500 2HH2 ARG 62 2HH2 ARG 62 7.676 11.593 -7.635 501 H ARG 63 H ARG 63 5.256 8.841 -2.172 502 HA ARG 63 HA ARG 63 5.316 7.157 0.015 503 1HB ARG 63 2HB ARG 63 6.335 9.002 1.226 504 2HB ARG 63 1HB ARG 63 6.941 8.930 -0.419 505 1HG ARG 63 2HG ARG 63 5.518 10.774 -1.066 506 2HG ARG 63 1HG ARG 63 4.818 10.824 0.552 507 1HD ARG 63 2HD ARG 63 6.456 12.548 0.412 508 2HD ARG 63 1HD ARG 63 7.100 11.276 1.446 509 HE ARG 63 HE ARG 63 7.865 11.469 -1.397 510 1HH1 ARG 63 1HH1 ARG 63 8.693 11.215 1.989 511 2HH1 ARG 63 2HH1 ARG 63 10.411 11.219 1.706 512 1HH2 ARG 63 1HH2 ARG 63 10.123 11.515 -1.778 513 2HH2 ARG 63 2HH2 ARG 63 11.226 11.382 -0.438 514 H LYS 64 H LYS 64 3.082 9.765 -0.686 515 HA LYS 64 HA LYS 64 1.906 9.965 1.860 516 1HB LYS 64 2HB LYS 64 1.561 11.645 0.097 517 2HB LYS 64 1HB LYS 64 0.642 10.473 -0.838 518 1HG LYS 64 2HG LYS 64 -1.039 10.370 0.942 519 2HG LYS 64 1HG LYS 64 -0.126 11.569 1.863 520 1HD LYS 64 2HD LYS 64 -1.287 12.004 -0.891 521 2HD LYS 64 1HD LYS 64 -2.016 12.560 0.618 522 1HE LYS 64 2HE LYS 64 -0.086 13.961 1.062 523 2HE LYS 64 1HE LYS 64 0.716 13.351 -0.385 524 1HZ LYS 64 1HZ LYS 64 -0.950 14.367 -1.749 525 2HZ LYS 64 2HZ LYS 64 -0.336 15.543 -0.694 526 3HZ LYS 64 3HZ LYS 64 -1.850 14.841 -0.394 527 H ASP 65 H ASP 65 1.060 7.995 -0.968 528 HA ASP 65 HA ASP 65 -1.168 6.713 0.217 529 1HB ASP 65 2HB ASP 65 0.617 5.605 -1.964 530 2HB ASP 65 1HB ASP 65 -1.057 5.188 -1.643 531 H LEU 66 H LEU 66 2.256 5.971 -0.031 532 HA LEU 66 HA LEU 66 2.284 3.436 1.143 533 1HB LEU 66 2HB LEU 66 4.201 4.371 -0.011 534 2HB LEU 66 1HB LEU 66 4.344 5.641 1.186 535 HG LEU 66 HG LEU 66 4.896 3.918 2.891 536 1HD1 LEU 66 1HD1 LEU 66 3.789 2.014 1.820 537 2HD1 LEU 66 2HD1 LEU 66 5.486 1.673 2.161 538 3HD1 LEU 66 3HD1 LEU 66 4.977 2.061 0.518 539 1HD2 LEU 66 1HD2 LEU 66 6.660 5.154 1.745 540 2HD2 LEU 66 2HD2 LEU 66 6.663 3.961 0.446 541 3HD2 LEU 66 3HD2 LEU 66 7.169 3.497 2.071 542 H ALA 67 H ALA 67 2.323 6.649 2.574 543 HA ALA 67 HA ALA 67 2.918 5.778 5.216 544 1HB ALA 67 1HB ALA 67 2.448 8.054 5.889 545 2HB ALA 67 2HB ALA 67 1.676 8.380 4.337 546 3HB ALA 67 3HB ALA 67 3.407 8.050 4.408 547 H LEU 68 H LEU 68 0.053 5.642 3.401 548 HA LEU 68 HA LEU 68 -1.671 5.746 5.760 549 1HB LEU 68 2HB LEU 68 -2.347 5.284 2.853 550 2HB LEU 68 1HB LEU 68 -3.513 5.445 4.150 551 HG LEU 68 HG LEU 68 -1.616 7.605 3.228 552 1HD1 LEU 68 1HD1 LEU 68 -3.376 7.129 1.599 553 2HD1 LEU 68 2HD1 LEU 68 -3.615 8.698 2.366 554 3HD1 LEU 68 3HD1 LEU 68 -4.595 7.318 2.861 555 1HD2 LEU 68 1HD2 LEU 68 -2.113 7.774 5.606 556 2HD2 LEU 68 2HD2 LEU 68 -3.839 7.665 5.266 557 3HD2 LEU 68 3HD2 LEU 68 -2.917 9.062 4.707 558 H LEU 69 H LEU 69 -0.001 3.462 3.841 559 HA LEU 69 HA LEU 69 -1.779 1.285 4.728 560 1HB LEU 69 2HB LEU 69 0.234 1.399 2.482 561 2HB LEU 69 1HB LEU 69 -0.632 -0.051 2.952 562 HG LEU 69 HG LEU 69 -1.949 2.473 1.949 563 1HD1 LEU 69 1HD1 LEU 69 -1.339 -0.105 0.509 564 2HD1 LEU 69 2HD1 LEU 69 -0.598 1.466 0.201 565 3HD1 LEU 69 3HD1 LEU 69 -2.314 1.222 -0.124 566 1HD2 LEU 69 1HD2 LEU 69 -3.021 -0.298 2.467 567 2HD2 LEU 69 2HD2 LEU 69 -3.916 1.017 1.705 568 3HD2 LEU 69 3HD2 LEU 69 -3.395 1.162 3.385 569 H THR 70 H THR 70 -1.016 -0.336 5.999 570 HA THR 70 HA THR 70 1.781 -0.254 6.815 571 HB THR 70 HB THR 70 -0.283 -2.263 7.682 572 HG1 THR 70 1HG THR 70 -0.376 -0.732 9.584 573 1HG2 THR 70 1HG2 THR 70 1.139 -2.429 9.679 574 2HG2 THR 70 2HG2 THR 70 2.241 -1.245 8.974 575 3HG2 THR 70 3HG2 THR 70 2.029 -2.819 8.208 576 H LEU 71 H LEU 71 3.188 -1.260 5.578 577 HA LEU 71 HA LEU 71 2.309 -3.617 4.041 578 1HB LEU 71 2HB LEU 71 4.317 -1.516 3.201 579 2HB LEU 71 1HB LEU 71 3.862 -2.928 2.270 580 HG LEU 71 HG LEU 71 2.060 -0.605 2.955 581 1HD1 LEU 71 1HD1 LEU 71 3.277 -1.476 0.339 582 2HD1 LEU 71 2HD1 LEU 71 3.758 -0.068 1.285 583 3HD1 LEU 71 3HD1 LEU 71 2.150 -0.138 0.564 584 1HD2 LEU 71 1HD2 LEU 71 1.531 -3.047 1.272 585 2HD2 LEU 71 2HD2 LEU 71 0.442 -1.677 1.492 586 3HD2 LEU 71 3HD2 LEU 71 0.840 -2.718 2.860 587 H VAL 72 H VAL 72 3.432 -5.401 4.402 588 HA VAL 72 HA VAL 72 6.180 -5.129 5.439 589 HB VAL 72 HB VAL 72 5.874 -7.183 6.744 590 1HG1 VAL 72 1HG1 VAL 72 5.528 -5.055 7.856 591 2HG1 VAL 72 2HG1 VAL 72 4.416 -6.262 8.501 592 3HG1 VAL 72 3HG1 VAL 72 3.834 -5.048 7.363 593 1HG2 VAL 72 1HG2 VAL 72 3.656 -8.143 7.098 594 2HG2 VAL 72 2HG2 VAL 72 4.125 -8.240 5.401 595 3HG2 VAL 72 3HG2 VAL 72 2.973 -7.013 5.929 596 HA PRO 73 HA PRO 73 7.191 -7.470 1.810 597 1HB PRO 73 2HB PRO 73 9.656 -8.219 3.235 598 2HB PRO 73 1HB PRO 73 9.465 -7.296 1.743 599 1HG PRO 73 2HG PRO 73 10.241 -6.141 4.048 600 2HG PRO 73 1HG PRO 73 9.246 -5.290 2.853 601 1HD PRO 73 2HD PRO 73 8.436 -6.578 5.426 602 2HD PRO 73 1HD PRO 73 7.867 -5.062 4.696 603 H LEU 74 H LEU 74 7.596 -9.695 1.194 604 HA LEU 74 HA LEU 74 6.410 -11.694 2.679 605 1HB LEU 74 2HB LEU 74 8.673 -11.943 0.693 606 2HB LEU 74 1HB LEU 74 7.699 -13.272 1.271 607 HG LEU 74 HG LEU 74 6.706 -10.947 -0.368 608 1HD1 LEU 74 1HD1 LEU 74 8.095 -12.503 -1.636 609 2HD1 LEU 74 2HD1 LEU 74 6.404 -12.614 -2.125 610 3HD1 LEU 74 3HD1 LEU 74 7.101 -13.852 -1.081 611 1HD2 LEU 74 1HD2 LEU 74 4.995 -11.736 1.173 612 2HD2 LEU 74 2HD2 LEU 74 5.254 -13.395 0.634 613 3HD2 LEU 74 3HD2 LEU 74 4.603 -12.196 -0.485 614 H ASP 75 H ASP 75 9.894 -11.148 2.282 615 HA ASP 75 HA ASP 75 10.458 -11.365 5.038 616 1HB ASP 75 2HB ASP 75 10.021 -13.776 4.552 617 2HB ASP 75 1HB ASP 75 11.324 -13.739 3.369 Start of MODEL 7 1 HA MET 1 HA MET 1 19.533 -11.153 -21.587 2 1HB MET 1 2HB MET 1 19.965 -13.338 -20.525 3 2HB MET 1 1HB MET 1 18.594 -13.089 -19.454 4 1HG MET 1 2HG MET 1 18.046 -14.592 -21.292 5 2HG MET 1 1HG MET 1 17.076 -13.122 -21.343 6 1HE MET 1 1HE MET 1 16.386 -13.708 -23.854 7 2HE MET 1 2HE MET 1 17.375 -15.168 -23.785 8 3HE MET 1 3HE MET 1 17.556 -14.040 -25.130 9 H SER 2 H SER 2 17.691 -11.152 -18.523 10 HA SER 2 HA SER 2 15.570 -9.688 -19.948 11 1HB SER 2 2HB SER 2 15.286 -11.522 -17.547 12 2HB SER 2 1HB SER 2 13.974 -10.667 -18.354 13 HG SER 2 HG SER 2 14.691 -11.852 -20.311 14 H ALA 3 H ALA 3 15.590 -7.601 -19.413 15 HA ALA 3 HA ALA 3 16.731 -6.746 -16.879 16 1HB ALA 3 1HB ALA 3 17.310 -5.516 -18.899 17 2HB ALA 3 2HB ALA 3 16.439 -4.477 -17.773 18 3HB ALA 3 3HB ALA 3 15.609 -5.145 -19.179 19 H LEU 4 H LEU 4 15.602 -5.270 -15.473 20 HA LEU 4 HA LEU 4 13.916 -4.778 -14.044 21 1HB LEU 4 2HB LEU 4 13.026 -3.706 -16.173 22 2HB LEU 4 1HB LEU 4 12.015 -5.122 -16.360 23 HG LEU 4 HG LEU 4 11.886 -3.449 -13.859 24 1HD1 LEU 4 1HD1 LEU 4 10.037 -2.211 -14.855 25 2HD1 LEU 4 2HD1 LEU 4 10.304 -3.034 -16.391 26 3HD1 LEU 4 3HD1 LEU 4 11.533 -1.944 -15.751 27 1HD2 LEU 4 1HD2 LEU 4 9.624 -4.349 -13.727 28 2HD2 LEU 4 2HD2 LEU 4 10.817 -5.646 -13.797 29 3HD2 LEU 4 3HD2 LEU 4 9.878 -5.233 -15.232 30 H GLN 5 H GLN 5 13.909 -6.435 -12.652 31 HA GLN 5 HA GLN 5 12.081 -8.650 -13.247 32 1HB GLN 5 2HB GLN 5 13.590 -10.128 -11.919 33 2HB GLN 5 1HB GLN 5 14.301 -9.546 -13.416 34 1HG GLN 5 2HG GLN 5 15.562 -7.869 -12.167 35 2HG GLN 5 1HG GLN 5 14.846 -8.453 -10.667 36 1HE2 GLN 5 1HE2 GLN 5 16.832 -8.992 -9.791 37 2HE2 GLN 5 2HE2 GLN 5 17.743 -10.355 -10.344 38 HA PRO 6 HA PRO 6 10.114 -7.238 -9.485 39 1HB PRO 6 2HB PRO 6 8.755 -9.844 -9.664 40 2HB PRO 6 1HB PRO 6 8.059 -8.223 -9.637 41 1HG PRO 6 2HG PRO 6 8.080 -9.713 -11.872 42 2HG PRO 6 1HG PRO 6 8.265 -7.949 -11.922 43 1HD PRO 6 2HD PRO 6 10.338 -10.088 -12.189 44 2HD PRO 6 1HD PRO 6 10.197 -8.540 -13.047 45 H SER 7 H SER 7 11.095 -7.450 -7.578 46 HA SER 7 HA SER 7 12.532 -9.957 -7.064 47 1HB SER 7 2HB SER 7 13.998 -8.056 -7.347 48 2HB SER 7 1HB SER 7 13.091 -7.129 -6.153 49 HG SER 7 HG SER 7 14.801 -9.348 -5.764 50 H ARG 8 H ARG 8 11.051 -7.300 -5.188 51 HA ARG 8 HA ARG 8 10.606 -9.262 -3.047 52 1HB ARG 8 2HB ARG 8 12.245 -7.433 -2.626 53 2HB ARG 8 1HB ARG 8 10.947 -6.270 -2.807 54 1HG ARG 8 2HG ARG 8 9.911 -6.965 -0.819 55 2HG ARG 8 1HG ARG 8 10.862 -8.455 -0.749 56 1HD ARG 8 2HD ARG 8 12.894 -7.144 -0.410 57 2HD ARG 8 1HD ARG 8 11.958 -5.654 -0.490 58 HE ARG 8 HE ARG 8 11.232 -6.009 1.665 59 1HH1 ARG 8 1HH1 ARG 8 12.822 -8.924 0.490 60 2HH1 ARG 8 2HH1 ARG 8 12.987 -9.610 2.073 61 1HH2 ARG 8 1HH2 ARG 8 11.498 -6.914 3.737 62 2HH2 ARG 8 2HH2 ARG 8 12.218 -8.491 3.911 63 H SER 9 H SER 9 8.676 -9.293 -1.978 64 HA SER 9 HA SER 9 6.509 -7.721 -3.206 65 1HB SER 9 2HB SER 9 6.518 -10.142 -3.903 66 2HB SER 9 1HB SER 9 6.264 -10.571 -2.211 67 HG SER 9 HG SER 9 4.532 -8.711 -3.374 68 H TYR 10 H TYR 10 4.993 -6.875 -1.847 69 HA TYR 10 HA TYR 10 5.519 -7.176 1.039 70 1HB TYR 10 2HB TYR 10 4.257 -4.745 -0.208 71 2HB TYR 10 1HB TYR 10 5.026 -4.889 1.367 72 HD1 TYR 10 1HD TYR 10 5.494 -4.176 -2.140 73 HD2 TYR 10 2HD TYR 10 7.529 -5.025 1.501 74 HE1 TYR 10 1HE TYR 10 7.573 -3.290 -3.106 75 HE2 TYR 10 2HE TYR 10 9.615 -4.138 0.544 76 HH TYR 10 HH TYR 10 9.687 -2.333 -2.344 77 H ARG 11 H ARG 11 3.790 -7.804 2.286 78 HA ARG 11 HA ARG 11 1.186 -7.890 0.927 79 1HB ARG 11 2HB ARG 11 0.569 -9.694 2.198 80 2HB ARG 11 1HB ARG 11 2.293 -9.951 2.131 81 1HG ARG 11 2HG ARG 11 2.393 -8.685 4.354 82 2HG ARG 11 1HG ARG 11 0.647 -8.928 4.410 83 1HD ARG 11 2HD ARG 11 1.442 -10.744 5.600 84 2HD ARG 11 1HD ARG 11 1.232 -11.417 3.983 85 HE ARG 11 HE ARG 11 3.859 -10.392 4.333 86 1HH1 ARG 11 1HH1 ARG 11 1.834 -13.133 5.179 87 2HH1 ARG 11 2HH1 ARG 11 3.176 -14.226 5.343 88 1HH2 ARG 11 1HH2 ARG 11 5.617 -11.816 4.610 89 2HH2 ARG 11 2HH2 ARG 11 5.316 -13.472 5.046 90 H ILE 12 H ILE 12 -0.688 -7.333 2.177 91 HA ILE 12 HA ILE 12 -0.073 -5.013 3.897 92 HB ILE 12 HB ILE 12 -2.733 -5.593 2.587 93 1HG1 ILE 12 2HG1 ILE 12 -0.488 -3.858 1.521 94 2HG1 ILE 12 1HG1 ILE 12 -1.002 -5.397 0.838 95 1HG2 ILE 12 1HG2 ILE 12 -3.093 -3.181 2.927 96 2HG2 ILE 12 2HG2 ILE 12 -1.531 -3.079 3.738 97 3HG2 ILE 12 3HG2 ILE 12 -2.829 -4.045 4.442 98 1HD1 ILE 12 1HD1 ILE 12 -3.170 -4.448 0.294 99 2HD1 ILE 12 2HD1 ILE 12 -1.866 -3.504 -0.426 100 3HD1 ILE 12 3HD1 ILE 12 -2.690 -2.913 1.016 101 H THR 13 H THR 13 -0.268 -5.413 6.020 102 HA THR 13 HA THR 13 -2.085 -7.516 6.899 103 HB THR 13 HB THR 13 -1.044 -6.818 9.201 104 HG1 THR 13 1HG THR 13 0.913 -5.802 9.049 105 1HG2 THR 13 1HG2 THR 13 -0.689 -8.967 8.131 106 2HG2 THR 13 2HG2 THR 13 0.830 -8.361 8.793 107 3HG2 THR 13 3HG2 THR 13 0.519 -8.258 7.060 108 H GLY 14 H GLY 14 -2.005 -4.111 6.616 109 1HA GLY 14 2HA GLY 14 -4.648 -3.704 7.202 110 2HA GLY 14 1HA GLY 14 -3.829 -3.542 8.749 111 H TYR 15 H TYR 15 -4.429 -1.376 8.879 112 HA TYR 15 HA TYR 15 -2.976 0.420 7.036 113 1HB TYR 15 2HB TYR 15 -5.546 1.020 8.515 114 2HB TYR 15 1HB TYR 15 -4.715 2.089 7.395 115 HD1 TYR 15 1HD TYR 15 -4.998 1.862 5.035 116 HD2 TYR 15 2HD TYR 15 -6.720 -0.997 7.674 117 HE1 TYR 15 1HE TYR 15 -6.347 0.972 3.184 118 HE2 TYR 15 2HE TYR 15 -8.078 -1.888 5.831 119 HH TYR 15 HH TYR 15 -7.536 -1.008 2.553 120 H SER 16 H SER 16 -2.069 2.315 7.993 121 HA SER 16 HA SER 16 -1.038 1.948 10.599 122 1HB SER 16 2HB SER 16 -1.116 4.439 8.874 123 2HB SER 16 1HB SER 16 -0.057 4.158 10.247 124 HG SER 16 HG SER 16 0.751 3.718 7.993 125 HA PRO 17 HA PRO 17 -4.475 3.382 12.947 126 1HB PRO 17 2HB PRO 17 -3.190 4.218 15.208 127 2HB PRO 17 1HB PRO 17 -3.489 2.520 14.815 128 1HG PRO 17 2HG PRO 17 -1.005 4.146 14.440 129 2HG PRO 17 1HG PRO 17 -1.177 2.480 15.022 130 1HD PRO 17 2HD PRO 17 -0.423 3.036 12.495 131 2HD PRO 17 1HD PRO 17 -1.422 1.623 12.890 132 H ALA 18 H ALA 18 -2.432 5.437 11.483 133 HA ALA 18 HA ALA 18 -3.531 7.845 12.755 134 1HB ALA 18 1HB ALA 18 -1.728 9.075 11.699 135 2HB ALA 18 2HB ALA 18 -1.190 7.616 10.867 136 3HB ALA 18 3HB ALA 18 -1.074 7.723 12.624 137 H ILE 19 H ILE 19 -4.425 5.827 10.422 138 HA ILE 19 HA ILE 19 -5.092 7.894 8.456 139 HB ILE 19 HB ILE 19 -4.174 5.719 7.635 140 1HG1 ILE 19 2HG1 ILE 19 -7.000 6.350 6.750 141 2HG1 ILE 19 1HG1 ILE 19 -5.545 7.172 6.194 142 1HG2 ILE 19 1HG2 ILE 19 -5.196 4.212 9.229 143 2HG2 ILE 19 2HG2 ILE 19 -5.646 3.757 7.585 144 3HG2 ILE 19 3HG2 ILE 19 -6.799 4.610 8.612 145 1HD1 ILE 19 1HD1 ILE 19 -6.205 4.268 5.764 146 2HD1 ILE 19 2HD1 ILE 19 -4.749 5.091 5.203 147 3HD1 ILE 19 3HD1 ILE 19 -6.326 5.555 4.563 148 H SER 20 H SER 20 -7.091 8.657 8.156 149 HA SER 20 HA SER 20 -9.425 7.438 9.323 150 1HB SER 20 2HB SER 20 -8.355 8.620 11.258 151 2HB SER 20 1HB SER 20 -8.466 10.130 10.359 152 HG SER 20 HG SER 20 -10.348 10.271 11.287 153 H ASN 21 H ASN 21 -11.043 9.745 9.291 154 HA ASN 21 HA ASN 21 -12.167 11.220 7.967 155 1HB ASN 21 2HB ASN 21 -9.856 12.221 7.735 156 2HB ASN 21 1HB ASN 21 -9.683 11.316 6.239 157 1HD2 ASN 21 1HD2 ASN 21 -11.345 13.933 7.838 158 2HD2 ASN 21 2HD2 ASN 21 -11.920 14.701 6.396 159 H GLY 22 H GLY 22 -11.814 8.235 7.349 160 1HA GLY 22 2HA GLY 22 -13.009 6.832 5.945 161 2HA GLY 22 1HA GLY 22 -13.519 8.243 5.028 162 H TYR 23 H TYR 23 -10.217 8.356 5.367 163 HA TYR 23 HA TYR 23 -9.765 7.949 2.603 164 1HB TYR 23 2HB TYR 23 -8.424 9.362 4.335 165 2HB TYR 23 1HB TYR 23 -7.571 7.857 4.654 166 HD1 TYR 23 1HD TYR 23 -8.472 10.201 1.918 167 HD2 TYR 23 2HD TYR 23 -5.776 7.212 3.293 168 HE1 TYR 23 1HE TYR 23 -6.998 10.663 0.011 169 HE2 TYR 23 2HE TYR 23 -4.292 7.665 1.382 170 HH TYR 23 HH TYR 23 -4.282 8.639 -0.752 171 H ARG 24 H ARG 24 -9.588 5.909 5.378 172 HA ARG 24 HA ARG 24 -8.088 3.758 4.336 173 1HB ARG 24 2HB ARG 24 -8.668 4.129 6.734 174 2HB ARG 24 1HB ARG 24 -10.337 3.736 6.366 175 1HG ARG 24 2HG ARG 24 -9.638 1.488 5.686 176 2HG ARG 24 1HG ARG 24 -7.978 1.888 6.136 177 1HD ARG 24 2HD ARG 24 -10.392 1.734 7.935 178 2HD ARG 24 1HD ARG 24 -8.969 0.694 7.962 179 HE ARG 24 HE ARG 24 -8.257 3.412 8.372 180 1HH1 ARG 24 1HH1 ARG 24 -9.578 0.612 10.009 181 2HH1 ARG 24 2HH1 ARG 24 -9.173 1.197 11.595 182 1HH2 ARG 24 1HH2 ARG 24 -7.686 4.162 10.459 183 2HH2 ARG 24 2HH2 ARG 24 -8.053 3.183 11.849 184 H GLN 25 H GLN 25 -11.543 4.511 4.322 185 HA GLN 25 HA GLN 25 -12.303 2.154 2.962 186 1HB GLN 25 2HB GLN 25 -13.670 4.812 3.302 187 2HB GLN 25 1HB GLN 25 -14.412 3.435 2.515 188 1HG GLN 25 2HG GLN 25 -14.080 2.145 4.621 189 2HG GLN 25 1HG GLN 25 -13.542 3.643 5.378 190 1HE2 GLN 25 1HE2 GLN 25 -15.449 5.236 3.808 191 2HE2 GLN 25 2HE2 GLN 25 -16.990 4.969 4.538 192 H ARG 26 H ARG 26 -11.294 5.349 1.947 193 HA ARG 26 HA ARG 26 -11.886 5.084 -0.793 194 1HB ARG 26 2HB ARG 26 -11.261 7.221 0.314 195 2HB ARG 26 1HB ARG 26 -9.616 6.627 0.472 196 1HG ARG 26 2HG ARG 26 -9.404 6.521 -1.952 197 2HG ARG 26 1HG ARG 26 -11.065 7.090 -2.125 198 1HD ARG 26 2HD ARG 26 -10.448 9.174 -0.967 199 2HD ARG 26 1HD ARG 26 -8.782 8.606 -0.864 200 HE ARG 26 HE ARG 26 -9.673 8.545 -3.554 201 1HH1 ARG 26 1HH1 ARG 26 -8.684 10.810 -1.058 202 2HH1 ARG 26 2HH1 ARG 26 -8.144 12.010 -2.189 203 1HH2 ARG 26 1HH2 ARG 26 -8.960 10.124 -5.027 204 2HH2 ARG 26 2HH2 ARG 26 -8.302 11.624 -4.439 205 H LEU 27 H LEU 27 -9.020 4.288 1.109 206 HA LEU 27 HA LEU 27 -7.450 3.288 -1.019 207 1HB LEU 27 2HB LEU 27 -7.442 2.692 1.940 208 2HB LEU 27 1HB LEU 27 -6.247 2.050 0.838 209 HG LEU 27 HG LEU 27 -6.702 4.961 1.490 210 1HD1 LEU 27 1HD1 LEU 27 -5.562 3.712 3.239 211 2HD1 LEU 27 2HD1 LEU 27 -4.455 4.827 2.437 212 3HD1 LEU 27 3HD1 LEU 27 -4.398 3.104 2.061 213 1HD2 LEU 27 1HD2 LEU 27 -4.711 3.703 -0.390 214 2HD2 LEU 27 2HD2 LEU 27 -4.768 5.404 0.070 215 3HD2 LEU 27 3HD2 LEU 27 -6.092 4.695 -0.857 216 H PHE 28 H PHE 28 -9.619 1.723 1.280 217 HA PHE 28 HA PHE 28 -9.380 -0.924 0.459 218 1HB PHE 28 2HB PHE 28 -10.661 0.090 2.440 219 2HB PHE 28 1HB PHE 28 -11.984 0.334 1.311 220 HD1 PHE 28 1HD PHE 28 -13.070 -1.649 0.247 221 HD2 PHE 28 2HD PHE 28 -10.218 -2.021 3.381 222 HE1 PHE 28 1HE PHE 28 -13.848 -3.943 0.679 223 HE2 PHE 28 2HE PHE 28 -10.990 -4.313 3.820 224 HZ PHE 28 HZ PHE 28 -12.808 -5.280 2.464 225 H SER 29 H SER 29 -11.545 1.616 -0.704 226 HA SER 29 HA SER 29 -12.955 0.091 -2.599 227 1HB SER 29 2HB SER 29 -12.354 3.059 -2.609 228 2HB SER 29 1HB SER 29 -13.608 2.259 -3.553 229 HG SER 29 HG SER 29 -13.442 2.585 -0.744 230 H MET 30 H MET 30 -9.902 1.778 -2.738 231 HA MET 30 HA MET 30 -9.653 1.480 -5.596 232 1HB MET 30 2HB MET 30 -7.832 2.538 -3.456 233 2HB MET 30 1HB MET 30 -7.278 2.320 -5.107 234 1HG MET 30 2HG MET 30 -9.163 3.777 -5.846 235 2HG MET 30 1HG MET 30 -9.499 4.101 -4.147 236 1HE MET 30 1HE MET 30 -6.582 4.213 -2.899 237 2HE MET 30 2HE MET 30 -7.828 5.405 -2.528 238 3HE MET 30 3HE MET 30 -6.221 5.937 -3.017 239 H GLY 31 H GLY 31 -9.130 -0.521 -2.937 240 1HA GLY 31 2HA GLY 31 -8.818 -2.862 -3.466 241 2HA GLY 31 1HA GLY 31 -7.688 -2.378 -4.722 242 H LEU 32 H LEU 32 -7.145 -0.489 -2.048 243 HA LEU 32 HA LEU 32 -4.857 -2.136 -1.276 244 1HB LEU 32 2HB LEU 32 -5.565 0.714 -0.561 245 2HB LEU 32 1HB LEU 32 -4.106 -0.115 -0.057 246 HG LEU 32 HG LEU 32 -4.852 0.525 -2.913 247 1HD1 LEU 32 1HD1 LEU 32 -4.272 2.521 -1.646 248 2HD1 LEU 32 2HD1 LEU 32 -2.999 2.120 -2.800 249 3HD1 LEU 32 3HD1 LEU 32 -2.788 1.748 -1.088 250 1HD2 LEU 32 1HD2 LEU 32 -2.324 -0.651 -1.766 251 2HD2 LEU 32 2HD2 LEU 32 -2.612 -0.243 -3.458 252 3HD2 LEU 32 3HD2 LEU 32 -3.537 -1.533 -2.691 253 H LEU 33 H LEU 33 -5.758 -3.711 -0.012 254 HA LEU 33 HA LEU 33 -6.961 -2.827 2.501 255 1HB LEU 33 2HB LEU 33 -8.574 -4.767 2.268 256 2HB LEU 33 1HB LEU 33 -8.877 -3.358 1.276 257 HG LEU 33 HG LEU 33 -7.644 -4.656 -0.586 258 1HD1 LEU 33 1HD1 LEU 33 -8.339 -6.932 1.264 259 2HD1 LEU 33 2HD1 LEU 33 -6.718 -6.434 0.779 260 3HD1 LEU 33 3HD1 LEU 33 -7.833 -7.093 -0.418 261 1HD2 LEU 33 1HD2 LEU 33 -10.345 -5.551 0.406 262 2HD2 LEU 33 2HD2 LEU 33 -9.718 -5.784 -1.227 263 3HD2 LEU 33 3HD2 LEU 33 -10.017 -4.155 -0.621 264 HA PRO 34 HA PRO 34 -4.389 -5.829 4.466 265 1HB PRO 34 2HB PRO 34 -6.063 -6.807 6.402 266 2HB PRO 34 1HB PRO 34 -5.241 -5.247 6.512 267 1HG PRO 34 2HG PRO 34 -8.059 -5.856 5.721 268 2HG PRO 34 1HG PRO 34 -7.433 -4.525 6.711 269 1HD PRO 34 2HD PRO 34 -8.132 -4.213 4.118 270 2HD PRO 34 1HD PRO 34 -6.826 -3.277 4.875 271 H GLY 35 H GLY 35 -3.832 -7.772 3.718 272 1HA GLY 35 2HA GLY 35 -4.396 -10.158 3.597 273 2HA GLY 35 1HA GLY 35 -5.990 -9.672 3.034 274 H ALA 36 H ALA 36 -4.157 -7.506 1.571 275 HA ALA 36 HA ALA 36 -3.899 -9.107 -0.844 276 1HB ALA 36 1HB ALA 36 -3.759 -6.976 -2.011 277 2HB ALA 36 2HB ALA 36 -3.760 -6.118 -0.471 278 3HB ALA 36 3HB ALA 36 -5.185 -7.026 -0.976 279 H ALA 37 H ALA 37 -2.034 -7.776 -2.207 280 HA ALA 37 HA ALA 37 0.426 -7.534 -0.766 281 1HB ALA 37 1HB ALA 37 1.554 -9.448 -1.791 282 2HB ALA 37 2HB ALA 37 0.036 -9.945 -2.540 283 3HB ALA 37 3HB ALA 37 0.202 -9.967 -0.786 284 H LEU 38 H LEU 38 2.102 -6.744 -2.039 285 HA LEU 38 HA LEU 38 1.423 -6.048 -4.832 286 1HB LEU 38 2HB LEU 38 2.995 -4.353 -2.889 287 2HB LEU 38 1HB LEU 38 2.560 -3.928 -4.530 288 HG LEU 38 HG LEU 38 0.578 -4.319 -2.281 289 1HD1 LEU 38 1HD1 LEU 38 2.001 -2.363 -1.913 290 2HD1 LEU 38 2HD1 LEU 38 0.351 -1.891 -2.319 291 3HD1 LEU 38 3HD1 LEU 38 1.625 -1.782 -3.535 292 1HD2 LEU 38 1HD2 LEU 38 -1.005 -3.288 -3.837 293 2HD2 LEU 38 2HD2 LEU 38 -0.356 -4.793 -4.486 294 3HD2 LEU 38 3HD2 LEU 38 0.244 -3.244 -5.083 295 H ARG 39 H ARG 39 2.992 -6.403 -6.299 296 HA ARG 39 HA ARG 39 5.589 -7.357 -5.282 297 1HB ARG 39 2HB ARG 39 4.435 -9.096 -6.508 298 2HB ARG 39 1HB ARG 39 4.137 -8.006 -7.855 299 1HG ARG 39 2HG ARG 39 6.341 -8.081 -8.567 300 2HG ARG 39 1HG ARG 39 6.933 -8.646 -7.005 301 1HD ARG 39 2HD ARG 39 6.955 -10.407 -8.734 302 2HD ARG 39 1HD ARG 39 5.933 -10.808 -7.356 303 HE ARG 39 HE ARG 39 4.514 -9.594 -9.556 304 1HH1 ARG 39 1HH1 ARG 39 5.722 -12.580 -8.188 305 2HH1 ARG 39 2HH1 ARG 39 4.541 -13.576 -8.991 306 1HH2 ARG 39 1HH2 ARG 39 2.978 -10.894 -10.652 307 2HH2 ARG 39 2HH2 ARG 39 3.000 -12.627 -10.413 308 H VAL 40 H VAL 40 7.333 -6.147 -5.707 309 HA VAL 40 HA VAL 40 7.023 -3.561 -6.770 310 HB VAL 40 HB VAL 40 8.749 -4.247 -5.091 311 1HG1 VAL 40 1HG1 VAL 40 10.181 -5.349 -7.492 312 2HG1 VAL 40 2HG1 VAL 40 9.603 -6.254 -6.092 313 3HG1 VAL 40 3HG1 VAL 40 10.907 -5.082 -5.906 314 1HG2 VAL 40 1HG2 VAL 40 10.450 -2.691 -5.877 315 2HG2 VAL 40 2HG2 VAL 40 8.829 -2.079 -6.208 316 3HG2 VAL 40 3HG2 VAL 40 9.789 -2.783 -7.510 317 H VAL 41 H VAL 41 7.003 -2.812 -8.770 318 HA VAL 41 HA VAL 41 8.282 -4.413 -10.873 319 HB VAL 41 HB VAL 41 6.411 -2.044 -11.130 320 1HG1 VAL 41 1HG1 VAL 41 6.383 -2.551 -13.517 321 2HG1 VAL 41 2HG1 VAL 41 7.565 -3.835 -13.264 322 3HG1 VAL 41 3HG1 VAL 41 8.012 -2.155 -12.968 323 1HG2 VAL 41 1HG2 VAL 41 4.794 -3.668 -11.967 324 2HG2 VAL 41 2HG2 VAL 41 5.290 -4.052 -10.319 325 3HG2 VAL 41 3HG2 VAL 41 5.942 -4.974 -11.674 326 H ARG 42 H ARG 42 8.104 -1.056 -9.656 327 HA ARG 42 HA ARG 42 10.890 -0.642 -9.968 328 1HB ARG 42 2HB ARG 42 10.816 1.057 -11.771 329 2HB ARG 42 1HB ARG 42 10.406 -0.557 -12.342 330 1HG ARG 42 2HG ARG 42 8.064 0.001 -12.369 331 2HG ARG 42 1HG ARG 42 8.399 1.575 -11.650 332 1HD ARG 42 2HD ARG 42 9.380 0.633 -14.343 333 2HD ARG 42 1HD ARG 42 8.022 1.724 -14.073 334 HE ARG 42 HE ARG 42 10.694 2.459 -13.108 335 1HH1 ARG 42 1HH1 ARG 42 7.995 3.043 -15.279 336 2HH1 ARG 42 2HH1 ARG 42 8.560 4.621 -15.735 337 1HH2 ARG 42 1HH2 ARG 42 11.418 4.531 -13.712 338 2HH2 ARG 42 2HH2 ARG 42 10.505 5.457 -14.875 339 H ILE 43 H ILE 43 11.570 1.492 -9.409 340 HA ILE 43 HA ILE 43 9.523 3.370 -8.424 341 HB ILE 43 HB ILE 43 12.085 2.613 -6.972 342 1HG1 ILE 43 2HG1 ILE 43 9.190 2.410 -6.099 343 2HG1 ILE 43 1HG1 ILE 43 10.189 1.061 -6.628 344 1HG2 ILE 43 1HG2 ILE 43 11.749 5.029 -6.865 345 2HG2 ILE 43 2HG2 ILE 43 11.453 4.294 -5.291 346 3HG2 ILE 43 3HG2 ILE 43 10.096 4.789 -6.301 347 1HD1 ILE 43 1HD1 ILE 43 10.041 1.105 -4.224 348 2HD1 ILE 43 2HD1 ILE 43 10.644 2.762 -4.192 349 3HD1 ILE 43 3HD1 ILE 43 11.692 1.450 -4.733 350 H ALA 44 H ALA 44 10.111 5.546 -8.884 351 HA ALA 44 HA ALA 44 12.017 5.947 -10.962 352 1HB ALA 44 1HB ALA 44 11.451 8.312 -10.804 353 2HB ALA 44 2HB ALA 44 10.622 8.025 -9.272 354 3HB ALA 44 3HB ALA 44 9.988 7.327 -10.764 355 HA PRO 45 HA PRO 45 15.725 6.471 -8.658 356 1HB PRO 45 2HB PRO 45 16.602 8.364 -10.737 357 2HB PRO 45 1HB PRO 45 17.289 6.805 -10.270 358 1HG PRO 45 2HG PRO 45 15.973 7.109 -12.583 359 2HG PRO 45 1HG PRO 45 15.851 5.613 -11.636 360 1HD PRO 45 2HD PRO 45 13.917 7.897 -11.822 361 2HD PRO 45 1HD PRO 45 13.597 6.148 -11.823 362 H LEU 46 H LEU 46 13.638 9.076 -9.310 363 HA LEU 46 HA LEU 46 15.078 11.227 -8.161 364 1HB LEU 46 2HB LEU 46 12.182 10.650 -8.645 365 2HB LEU 46 1HB LEU 46 12.618 12.021 -7.650 366 HG LEU 46 HG LEU 46 12.227 12.800 -9.874 367 1HD1 LEU 46 1HD1 LEU 46 14.049 13.899 -8.760 368 2HD1 LEU 46 2HD1 LEU 46 14.424 13.744 -10.477 369 3HD1 LEU 46 3HD1 LEU 46 15.179 12.661 -9.309 370 1HD2 LEU 46 1HD2 LEU 46 13.428 11.955 -11.813 371 2HD2 LEU 46 2HD2 LEU 46 12.488 10.678 -11.040 372 3HD2 LEU 46 3HD2 LEU 46 14.234 10.758 -10.800 373 H GLY 47 H GLY 47 12.106 10.288 -6.678 374 1HA GLY 47 2HA GLY 47 13.515 9.580 -4.190 375 2HA GLY 47 1HA GLY 47 12.014 10.500 -4.208 376 H ASP 48 H ASP 48 10.135 9.497 -5.198 377 HA ASP 48 HA ASP 48 10.101 6.829 -5.987 378 1HB ASP 48 2HB ASP 48 8.947 5.839 -4.071 379 2HB ASP 48 1HB ASP 48 10.588 6.309 -3.676 380 HA PRO 49 HA PRO 49 5.821 6.881 -6.214 381 1HB PRO 49 2HB PRO 49 5.743 6.165 -8.890 382 2HB PRO 49 1HB PRO 49 5.413 7.789 -8.292 383 1HG PRO 49 2HG PRO 49 7.591 6.966 -9.925 384 2HG PRO 49 1HG PRO 49 7.350 8.561 -9.195 385 1HD PRO 49 2HD PRO 49 9.010 6.270 -8.242 386 2HD PRO 49 1HD PRO 49 9.275 8.019 -8.049 387 H ILE 50 H ILE 50 4.851 4.731 -6.498 388 HA ILE 50 HA ILE 50 6.978 2.700 -6.700 389 HB ILE 50 HB ILE 50 4.602 2.623 -4.817 390 1HG1 ILE 50 2HG1 ILE 50 6.580 2.442 -3.123 391 2HG1 ILE 50 1HG1 ILE 50 7.533 3.160 -4.414 392 1HG2 ILE 50 1HG2 ILE 50 5.116 0.415 -5.659 393 2HG2 ILE 50 2HG2 ILE 50 5.596 0.550 -3.967 394 3HG2 ILE 50 3HG2 ILE 50 6.815 0.626 -5.239 395 1HD1 ILE 50 1HD1 ILE 50 6.745 4.818 -2.803 396 2HD1 ILE 50 2HD1 ILE 50 5.078 4.379 -3.173 397 3HD1 ILE 50 3HD1 ILE 50 6.093 5.110 -4.417 398 H GLN 51 H GLN 51 6.691 1.826 -8.628 399 HA GLN 51 HA GLN 51 4.028 1.139 -9.554 400 1HB GLN 51 2HB GLN 51 6.775 0.944 -10.775 401 2HB GLN 51 1HB GLN 51 5.388 0.159 -11.501 402 1HG GLN 51 2HG GLN 51 5.584 2.167 -12.656 403 2HG GLN 51 1HG GLN 51 4.291 2.458 -11.498 404 1HE2 GLN 51 1HE2 GLN 51 4.599 4.680 -11.601 405 2HE2 GLN 51 2HE2 GLN 51 5.949 5.462 -10.864 406 H VAL 52 H VAL 52 3.141 -0.678 -8.984 407 HA VAL 52 HA VAL 52 4.819 -3.034 -8.505 408 HB VAL 52 HB VAL 52 3.253 -3.681 -6.646 409 1HG1 VAL 52 1HG1 VAL 52 4.897 -1.183 -6.235 410 2HG1 VAL 52 2HG1 VAL 52 5.485 -2.844 -6.173 411 3HG1 VAL 52 3HG1 VAL 52 4.344 -2.268 -4.959 412 1HG2 VAL 52 1HG2 VAL 52 1.400 -2.209 -7.152 413 2HG2 VAL 52 2HG2 VAL 52 2.413 -0.791 -6.879 414 3HG2 VAL 52 3HG2 VAL 52 2.006 -1.858 -5.532 415 H GLU 53 H GLU 53 3.370 -5.029 -8.330 416 HA GLU 53 HA GLU 53 1.179 -4.818 -10.289 417 1HB GLU 53 2HB GLU 53 3.181 -6.095 -11.084 418 2HB GLU 53 1HB GLU 53 2.945 -7.216 -9.750 419 1HG GLU 53 2HG GLU 53 0.663 -7.686 -10.667 420 2HG GLU 53 1HG GLU 53 1.112 -6.735 -12.081 421 H THR 54 H THR 54 -0.761 -5.488 -9.615 422 HA THR 54 HA THR 54 -1.013 -6.462 -6.876 423 HB THR 54 HB THR 54 -3.487 -6.098 -7.352 424 HG1 THR 54 1HG THR 54 -3.247 -4.334 -9.297 425 1HG2 THR 54 1HG2 THR 54 -1.590 -3.762 -7.567 426 2HG2 THR 54 2HG2 THR 54 -2.204 -4.485 -6.080 427 3HG2 THR 54 3HG2 THR 54 -3.303 -3.639 -7.169 428 H ARG 55 H ARG 55 -0.164 -8.102 -9.288 429 HA ARG 55 HA ARG 55 -0.470 -10.151 -10.225 430 1HB ARG 55 2HB ARG 55 -1.171 -10.460 -7.563 431 2HB ARG 55 1HB ARG 55 -2.582 -11.083 -8.404 432 1HG ARG 55 2HG ARG 55 0.248 -12.012 -8.862 433 2HG ARG 55 1HG ARG 55 -0.937 -12.828 -7.842 434 1HD ARG 55 2HD ARG 55 -2.404 -13.071 -9.822 435 2HD ARG 55 1HD ARG 55 -1.135 -12.357 -10.814 436 HE ARG 55 HE ARG 55 0.224 -14.356 -9.837 437 1HH1 ARG 55 1HH1 ARG 55 -3.149 -14.376 -10.788 438 2HH1 ARG 55 2HH1 ARG 55 -3.140 -16.052 -11.261 439 1HH2 ARG 55 1HH2 ARG 55 0.242 -16.568 -10.439 440 2HH2 ARG 55 2HH2 ARG 55 -1.206 -17.288 -11.089 441 H GLN 56 H GLN 56 -2.229 -7.790 -10.692 442 HA GLN 56 HA GLN 56 -4.249 -9.143 -12.310 443 1HB GLN 56 2HB GLN 56 -5.186 -8.316 -10.048 444 2HB GLN 56 1HB GLN 56 -4.940 -6.697 -10.674 445 1HG GLN 56 2HG GLN 56 -6.606 -8.735 -12.117 446 2HG GLN 56 1HG GLN 56 -7.267 -7.694 -10.863 447 1HE2 GLN 56 1HE2 GLN 56 -6.085 -7.881 -14.110 448 2HE2 GLN 56 2HE2 GLN 56 -6.585 -6.293 -14.593 449 H THR 57 H THR 57 -3.206 -5.867 -11.375 450 HA THR 57 HA THR 57 -2.337 -5.383 -14.118 451 HB THR 57 HB THR 57 -4.697 -4.575 -13.939 452 HG1 THR 57 1HG THR 57 -4.206 -2.448 -14.754 453 1HG2 THR 57 1HG2 THR 57 -3.536 -2.660 -11.911 454 2HG2 THR 57 2HG2 THR 57 -4.714 -3.932 -11.591 455 3HG2 THR 57 3HG2 THR 57 -5.156 -2.560 -12.606 456 H SER 58 H SER 58 -1.279 -3.075 -14.149 457 HA SER 58 HA SER 58 0.671 -3.058 -12.021 458 1HB SER 58 2HB SER 58 0.400 -1.171 -14.373 459 2HB SER 58 1HB SER 58 1.817 -1.384 -13.350 460 HG SER 58 HG SER 58 1.502 -2.583 -15.539 461 H LEU 59 H LEU 59 0.986 -1.439 -10.528 462 HA LEU 59 HA LEU 59 -1.020 0.702 -10.433 463 1HB LEU 59 2HB LEU 59 -1.718 -1.143 -8.942 464 2HB LEU 59 1HB LEU 59 -0.201 -0.999 -8.077 465 HG LEU 59 HG LEU 59 -0.848 1.321 -7.434 466 1HD1 LEU 59 1HD1 LEU 59 -3.526 0.570 -8.598 467 2HD1 LEU 59 2HD1 LEU 59 -2.404 1.739 -9.294 468 3HD1 LEU 59 3HD1 LEU 59 -3.139 2.051 -7.721 469 1HD2 LEU 59 1HD2 LEU 59 -1.206 -0.566 -5.924 470 2HD2 LEU 59 2HD2 LEU 59 -2.796 -0.838 -6.638 471 3HD2 LEU 59 3HD2 LEU 59 -2.472 0.648 -5.746 472 H ALA 60 H ALA 60 -0.341 2.608 -9.580 473 HA ALA 60 HA ALA 60 2.427 2.783 -8.583 474 1HB ALA 60 1HB ALA 60 1.175 4.645 -10.609 475 2HB ALA 60 2HB ALA 60 2.440 3.461 -10.934 476 3HB ALA 60 3HB ALA 60 2.768 4.835 -9.878 477 H LEU 61 H LEU 61 2.735 4.250 -6.952 478 HA LEU 61 HA LEU 61 0.632 6.047 -6.159 479 1HB LEU 61 2HB LEU 61 0.474 4.993 -3.858 480 2HB LEU 61 1HB LEU 61 -0.358 4.161 -5.151 481 HG LEU 61 HG LEU 61 1.779 2.702 -5.253 482 1HD1 LEU 61 1HD1 LEU 61 2.017 3.841 -2.482 483 2HD1 LEU 61 2HD1 LEU 61 3.173 4.036 -3.800 484 3HD1 LEU 61 3HD1 LEU 61 2.900 2.443 -3.092 485 1HD2 LEU 61 1HD2 LEU 61 0.851 1.197 -3.567 486 2HD2 LEU 61 2HD2 LEU 61 -0.415 1.904 -4.572 487 3HD2 LEU 61 3HD2 LEU 61 -0.140 2.516 -2.942 488 H ARG 62 H ARG 62 1.344 6.914 -3.794 489 HA ARG 62 HA ARG 62 4.232 7.393 -4.069 490 1HB ARG 62 2HB ARG 62 2.087 9.235 -3.037 491 2HB ARG 62 1HB ARG 62 3.812 9.581 -2.993 492 1HG ARG 62 2HG ARG 62 2.226 9.054 -5.469 493 2HG ARG 62 1HG ARG 62 2.650 10.649 -4.866 494 1HD ARG 62 2HD ARG 62 4.995 10.185 -5.155 495 2HD ARG 62 1HD ARG 62 4.645 8.515 -5.600 496 HE ARG 62 HE ARG 62 3.854 9.247 -7.687 497 1HH1 ARG 62 1HH1 ARG 62 5.014 11.896 -5.701 498 2HH1 ARG 62 2HH1 ARG 62 5.078 13.016 -7.027 499 1HH2 ARG 62 1HH2 ARG 62 3.965 10.699 -9.420 500 2HH2 ARG 62 2HH2 ARG 62 4.478 12.340 -9.145 501 H ARG 63 H ARG 63 5.194 8.252 -2.106 502 HA ARG 63 HA ARG 63 5.203 6.286 -0.101 503 1HB ARG 63 2HB ARG 63 6.670 7.905 1.130 504 2HB ARG 63 1HB ARG 63 7.174 7.538 -0.510 505 1HG ARG 63 2HG ARG 63 6.029 9.649 -1.232 506 2HG ARG 63 1HG ARG 63 5.840 10.033 0.479 507 1HD ARG 63 2HD ARG 63 8.203 10.062 0.804 508 2HD ARG 63 1HD ARG 63 8.487 9.432 -0.818 509 HE ARG 63 HE ARG 63 7.465 12.131 -0.212 510 1HH1 ARG 63 1HH1 ARG 63 9.125 9.860 -2.297 511 2HH1 ARG 63 2HH1 ARG 63 9.616 11.085 -3.440 512 1HH2 ARG 63 1HH2 ARG 63 8.076 13.740 -1.747 513 2HH2 ARG 63 2HH2 ARG 63 9.002 13.263 -3.138 514 H LYS 64 H LYS 64 3.645 9.425 -0.243 515 HA LYS 64 HA LYS 64 2.862 9.657 2.429 516 1HB LYS 64 2HB LYS 64 2.663 11.489 0.815 517 2HB LYS 64 1HB LYS 64 1.423 10.609 -0.060 518 1HG LYS 64 2HG LYS 64 0.955 11.208 2.813 519 2HG LYS 64 1HG LYS 64 0.833 12.527 1.650 520 1HD LYS 64 2HD LYS 64 -0.682 9.919 1.484 521 2HD LYS 64 1HD LYS 64 -1.341 11.440 2.092 522 1HE LYS 64 2HE LYS 64 -1.006 12.484 -0.067 523 2HE LYS 64 1HE LYS 64 -0.240 11.023 -0.685 524 1HZ LYS 64 1HZ LYS 64 -2.532 11.191 -1.402 525 2HZ LYS 64 2HZ LYS 64 -3.068 11.252 0.202 526 3HZ LYS 64 3HZ LYS 64 -2.331 9.845 -0.398 527 H ASP 65 H ASP 65 1.192 8.108 -0.288 528 HA ASP 65 HA ASP 65 -1.032 7.235 1.261 529 1HB ASP 65 2HB ASP 65 0.021 6.176 -1.377 530 2HB ASP 65 1HB ASP 65 -1.576 5.880 -0.707 531 H LEU 66 H LEU 66 2.029 5.867 0.287 532 HA LEU 66 HA LEU 66 1.586 3.212 1.095 533 1HB LEU 66 2HB LEU 66 3.442 4.142 -0.379 534 2HB LEU 66 1HB LEU 66 4.234 4.652 1.098 535 HG LEU 66 HG LEU 66 4.226 2.247 1.829 536 1HD1 LEU 66 1HD1 LEU 66 2.446 1.437 0.391 537 2HD1 LEU 66 2HD1 LEU 66 3.939 0.551 0.077 538 3HD1 LEU 66 3HD1 LEU 66 3.409 1.808 -1.040 539 1HD2 LEU 66 1HD2 LEU 66 6.217 3.337 0.904 540 2HD2 LEU 66 2HD2 LEU 66 5.702 2.894 -0.724 541 3HD2 LEU 66 3HD2 LEU 66 6.134 1.638 0.436 542 H ALA 67 H ALA 67 2.619 6.078 2.829 543 HA ALA 67 HA ALA 67 3.576 4.754 5.152 544 1HB ALA 67 1HB ALA 67 2.603 7.590 4.854 545 2HB ALA 67 2HB ALA 67 4.247 7.028 4.546 546 3HB ALA 67 3HB ALA 67 3.579 6.956 6.177 547 H LEU 68 H LEU 68 0.412 5.426 4.021 548 HA LEU 68 HA LEU 68 -0.763 5.355 6.682 549 1HB LEU 68 2HB LEU 68 -2.018 5.556 3.946 550 2HB LEU 68 1HB LEU 68 -2.917 5.564 5.452 551 HG LEU 68 HG LEU 68 -0.883 7.636 4.617 552 1HD1 LEU 68 1HD1 LEU 68 -2.934 7.785 3.323 553 2HD1 LEU 68 2HD1 LEU 68 -2.823 9.127 4.464 554 3HD1 LEU 68 3HD1 LEU 68 -3.887 7.762 4.807 555 1HD2 LEU 68 1HD2 LEU 68 -2.671 7.494 7.044 556 2HD2 LEU 68 2HD2 LEU 68 -1.653 8.864 6.598 557 3HD2 LEU 68 3HD2 LEU 68 -0.917 7.321 7.035 558 H LEU 69 H LEU 69 0.316 3.130 4.465 559 HA LEU 69 HA LEU 69 -1.647 1.099 5.272 560 1HB LEU 69 2HB LEU 69 0.463 1.064 3.109 561 2HB LEU 69 1HB LEU 69 -0.608 -0.274 3.478 562 HG LEU 69 HG LEU 69 -1.529 2.436 2.519 563 1HD1 LEU 69 1HD1 LEU 69 -1.977 1.294 0.393 564 2HD1 LEU 69 2HD1 LEU 69 -1.192 -0.158 1.018 565 3HD1 LEU 69 3HD1 LEU 69 -0.259 1.321 0.785 566 1HD2 LEU 69 1HD2 LEU 69 -3.666 1.293 2.155 567 2HD2 LEU 69 2HD2 LEU 69 -3.195 1.269 3.855 568 3HD2 LEU 69 3HD2 LEU 69 -2.997 -0.177 2.863 569 H THR 70 H THR 70 -1.041 -0.695 6.446 570 HA THR 70 HA THR 70 1.722 -0.745 7.420 571 HB THR 70 HB THR 70 -0.579 -2.457 8.325 572 HG1 THR 70 1HG THR 70 -0.128 0.156 8.753 573 1HG2 THR 70 1HG2 THR 70 0.805 -2.839 10.311 574 2HG2 THR 70 2HG2 THR 70 2.077 -1.837 9.614 575 3HG2 THR 70 3HG2 THR 70 1.637 -3.362 8.846 576 H LEU 71 H LEU 71 3.105 -1.964 6.383 577 HA LEU 71 HA LEU 71 2.086 -4.223 4.796 578 1HB LEU 71 2HB LEU 71 4.363 -2.381 4.074 579 2HB LEU 71 1HB LEU 71 3.772 -3.719 3.111 580 HG LEU 71 HG LEU 71 2.260 -1.179 3.731 581 1HD1 LEU 71 1HD1 LEU 71 2.524 -0.738 1.338 582 2HD1 LEU 71 2HD1 LEU 71 3.513 -2.191 1.185 583 3HD1 LEU 71 3HD1 LEU 71 4.079 -0.837 2.163 584 1HD2 LEU 71 1HD2 LEU 71 0.742 -3.068 3.544 585 2HD2 LEU 71 2HD2 LEU 71 1.495 -3.542 2.022 586 3HD2 LEU 71 3HD2 LEU 71 0.607 -2.022 2.131 587 H VAL 72 H VAL 72 3.077 -6.115 5.071 588 HA VAL 72 HA VAL 72 5.836 -6.084 6.085 589 HB VAL 72 HB VAL 72 5.415 -8.287 7.189 590 1HG1 VAL 72 1HG1 VAL 72 3.804 -5.962 8.235 591 2HG1 VAL 72 2HG1 VAL 72 5.530 -6.229 8.485 592 3HG1 VAL 72 3HG1 VAL 72 4.355 -7.344 9.184 593 1HG2 VAL 72 1HG2 VAL 72 3.391 -8.939 6.009 594 2HG2 VAL 72 2HG2 VAL 72 2.518 -7.591 6.738 595 3HG2 VAL 72 3HG2 VAL 72 3.117 -8.905 7.751 596 HA PRO 73 HA PRO 73 6.534 -7.909 2.186 597 1HB PRO 73 2HB PRO 73 9.035 -8.904 2.619 598 2HB PRO 73 1HB PRO 73 8.691 -7.193 2.335 599 1HG PRO 73 2HG PRO 73 9.144 -8.633 4.920 600 2HG PRO 73 1HG PRO 73 9.747 -7.048 4.398 601 1HD PRO 73 2HD PRO 73 7.646 -7.309 6.068 602 2HD PRO 73 1HD PRO 73 7.753 -5.990 4.883 603 H LEU 74 H LEU 74 6.900 -9.893 1.097 604 HA LEU 74 HA LEU 74 6.238 -12.285 2.629 605 1HB LEU 74 2HB LEU 74 6.461 -11.736 -0.334 606 2HB LEU 74 1HB LEU 74 6.091 -13.303 0.340 607 HG LEU 74 HG LEU 74 4.375 -10.858 0.741 608 1HD1 LEU 74 1HD1 LEU 74 2.890 -11.806 -0.913 609 2HD1 LEU 74 2HD1 LEU 74 3.982 -13.167 -1.156 610 3HD1 LEU 74 3HD1 LEU 74 4.482 -11.541 -1.624 611 1HD2 LEU 74 1HD2 LEU 74 4.128 -12.528 2.492 612 2HD2 LEU 74 2HD2 LEU 74 3.890 -13.785 1.279 613 3HD2 LEU 74 3HD2 LEU 74 2.698 -12.499 1.460 614 H ASP 75 H ASP 75 8.334 -11.707 -0.147 615 HA ASP 75 HA ASP 75 10.681 -12.567 1.333 616 1HB ASP 75 2HB ASP 75 9.573 -13.978 -1.077 617 2HB ASP 75 1HB ASP 75 11.305 -13.945 -0.783 Start of MODEL 8 1 HA MET 1 HA MET 1 10.787 -8.813 -23.722 2 1HB MET 1 2HB MET 1 8.792 -8.387 -25.953 3 2HB MET 1 1HB MET 1 9.553 -7.078 -25.061 4 1HG MET 1 2HG MET 1 11.757 -7.897 -25.800 5 2HG MET 1 1HG MET 1 10.942 -9.127 -26.764 6 1HE MET 1 1HE MET 1 8.388 -7.483 -27.784 7 2HE MET 1 2HE MET 1 9.329 -8.553 -28.824 8 3HE MET 1 3HE MET 1 8.974 -6.909 -29.349 9 H SER 2 H SER 2 10.092 -8.633 -21.712 10 HA SER 2 HA SER 2 7.396 -7.600 -21.325 11 1HB SER 2 2HB SER 2 7.400 -9.087 -19.139 12 2HB SER 2 1HB SER 2 6.839 -9.750 -20.674 13 HG SER 2 HG SER 2 8.376 -11.153 -20.558 14 H ALA 3 H ALA 3 7.832 -5.643 -20.587 15 HA ALA 3 HA ALA 3 10.364 -5.095 -19.326 16 1HB ALA 3 1HB ALA 3 9.474 -3.612 -21.051 17 2HB ALA 3 2HB ALA 3 9.745 -2.756 -19.533 18 3HB ALA 3 3HB ALA 3 8.110 -3.219 -20.005 19 H LEU 4 H LEU 4 9.811 -6.414 -17.407 20 HA LEU 4 HA LEU 4 9.333 -4.559 -15.291 21 1HB LEU 4 2HB LEU 4 7.599 -5.740 -14.148 22 2HB LEU 4 1HB LEU 4 7.028 -5.343 -15.749 23 HG LEU 4 HG LEU 4 8.116 -8.074 -15.096 24 1HD1 LEU 4 1HD1 LEU 4 5.820 -8.798 -14.720 25 2HD1 LEU 4 2HD1 LEU 4 5.259 -7.133 -14.881 26 3HD1 LEU 4 3HD1 LEU 4 6.301 -7.589 -13.532 27 1HD2 LEU 4 1HD2 LEU 4 6.213 -7.074 -17.214 28 2HD2 LEU 4 2HD2 LEU 4 6.735 -8.744 -16.998 29 3HD2 LEU 4 3HD2 LEU 4 7.903 -7.509 -17.465 30 H GLN 5 H GLN 5 10.450 -5.137 -13.480 31 HA GLN 5 HA GLN 5 11.431 -7.879 -13.293 32 1HB GLN 5 2HB GLN 5 13.219 -6.523 -14.364 33 2HB GLN 5 1HB GLN 5 13.221 -5.461 -12.961 34 1HG GLN 5 2HG GLN 5 13.926 -7.304 -11.542 35 2HG GLN 5 1HG GLN 5 13.874 -8.404 -12.920 36 1HE2 GLN 5 1HE2 GLN 5 15.473 -8.256 -14.509 37 2HE2 GLN 5 2HE2 GLN 5 16.955 -7.400 -14.244 38 HA PRO 6 HA PRO 6 9.547 -6.560 -9.368 39 1HB PRO 6 2HB PRO 6 9.321 -9.467 -8.993 40 2HB PRO 6 1HB PRO 6 8.058 -8.233 -8.967 41 1HG PRO 6 2HG PRO 6 8.272 -9.984 -10.990 42 2HG PRO 6 1HG PRO 6 7.753 -8.309 -11.254 43 1HD PRO 6 2HD PRO 6 10.438 -9.553 -11.727 44 2HD PRO 6 1HD PRO 6 9.537 -8.399 -12.732 45 H SER 7 H SER 7 10.770 -6.099 -7.678 46 HA SER 7 HA SER 7 13.188 -7.564 -7.136 47 1HB SER 7 2HB SER 7 13.031 -5.088 -6.832 48 2HB SER 7 1HB SER 7 11.897 -5.353 -5.509 49 HG SER 7 HG SER 7 14.637 -6.042 -5.650 50 H ARG 8 H ARG 8 10.438 -6.715 -4.998 51 HA ARG 8 HA ARG 8 10.204 -9.492 -4.209 52 1HB ARG 8 2HB ARG 8 11.126 -7.305 -2.384 53 2HB ARG 8 1HB ARG 8 10.156 -8.622 -1.740 54 1HG ARG 8 2HG ARG 8 11.786 -10.236 -2.404 55 2HG ARG 8 1HG ARG 8 12.695 -9.016 -3.294 56 1HD ARG 8 2HD ARG 8 13.195 -7.857 -1.206 57 2HD ARG 8 1HD ARG 8 12.270 -9.065 -0.312 58 HE ARG 8 HE ARG 8 14.067 -10.581 -1.624 59 1HH1 ARG 8 1HH1 ARG 8 14.435 -7.674 0.314 60 2HH1 ARG 8 2HH1 ARG 8 16.025 -8.107 0.873 61 1HH2 ARG 8 1HH2 ARG 8 16.158 -11.138 -0.885 62 2HH2 ARG 8 2HH2 ARG 8 16.993 -10.073 0.203 63 H SER 9 H SER 9 8.257 -9.970 -3.126 64 HA SER 9 HA SER 9 6.140 -8.046 -3.736 65 1HB SER 9 2HB SER 9 5.739 -10.868 -2.753 66 2HB SER 9 1HB SER 9 4.650 -9.879 -3.724 67 HG SER 9 HG SER 9 7.088 -11.098 -4.516 68 H TYR 10 H TYR 10 4.889 -7.107 -2.198 69 HA TYR 10 HA TYR 10 5.632 -7.666 0.601 70 1HB TYR 10 2HB TYR 10 4.553 -5.063 -0.504 71 2HB TYR 10 1HB TYR 10 5.204 -5.348 1.106 72 HD1 TYR 10 1HD TYR 10 7.684 -5.883 1.322 73 HD2 TYR 10 2HD TYR 10 5.952 -4.407 -2.275 74 HE1 TYR 10 1HE TYR 10 9.910 -5.200 0.534 75 HE2 TYR 10 2HE TYR 10 8.177 -3.722 -3.070 76 HH TYR 10 HH TYR 10 10.370 -3.174 -2.160 77 H ARG 11 H ARG 11 4.034 -7.912 2.085 78 HA ARG 11 HA ARG 11 1.314 -8.285 1.059 79 1HB ARG 11 2HB ARG 11 2.276 -9.003 3.823 80 2HB ARG 11 1HB ARG 11 0.928 -9.686 2.926 81 1HG ARG 11 2HG ARG 11 2.371 -10.911 1.513 82 2HG ARG 11 1HG ARG 11 3.790 -10.039 2.095 83 1HD ARG 11 2HD ARG 11 3.833 -12.145 3.161 84 2HD ARG 11 1HD ARG 11 3.291 -10.991 4.377 85 HE ARG 11 HE ARG 11 1.128 -12.276 2.990 86 1HH1 ARG 11 1HH1 ARG 11 3.403 -12.578 5.642 87 2HH1 ARG 11 2HH1 ARG 11 2.414 -13.705 6.528 88 1HH2 ARG 11 1HH2 ARG 11 -0.180 -13.731 4.157 89 2HH2 ARG 11 2HH2 ARG 11 0.386 -14.378 5.670 90 H ILE 12 H ILE 12 -0.427 -7.187 1.974 91 HA ILE 12 HA ILE 12 0.305 -4.850 3.607 92 HB ILE 12 HB ILE 12 -2.406 -5.402 2.377 93 1HG1 ILE 12 2HG1 ILE 12 -0.116 -3.852 1.144 94 2HG1 ILE 12 1HG1 ILE 12 -0.708 -5.411 0.587 95 1HG2 ILE 12 1HG2 ILE 12 -2.692 -2.988 2.575 96 2HG2 ILE 12 2HG2 ILE 12 -1.072 -2.846 3.257 97 3HG2 ILE 12 3HG2 ILE 12 -2.327 -3.718 4.139 98 1HD1 ILE 12 1HD1 ILE 12 -2.264 -2.835 0.591 99 2HD1 ILE 12 2HD1 ILE 12 -2.859 -4.397 0.029 100 3HD1 ILE 12 3HD1 ILE 12 -1.525 -3.607 -0.812 101 H THR 13 H THR 13 0.084 -5.120 5.754 102 HA THR 13 HA THR 13 -1.769 -7.199 6.662 103 HB THR 13 HB THR 13 -0.472 -6.941 8.852 104 HG1 THR 13 1HG THR 13 1.715 -6.129 8.422 105 1HG2 THR 13 1HG2 THR 13 0.954 -7.939 6.388 106 2HG2 THR 13 2HG2 THR 13 -0.234 -8.843 7.328 107 3HG2 THR 13 3HG2 THR 13 1.315 -8.402 8.049 108 H GLY 14 H GLY 14 -1.706 -3.868 6.382 109 1HA GLY 14 2HA GLY 14 -4.185 -3.456 7.405 110 2HA GLY 14 1HA GLY 14 -3.146 -3.297 8.814 111 H TYR 15 H TYR 15 -3.985 -1.132 8.888 112 HA TYR 15 HA TYR 15 -2.607 0.674 7.011 113 1HB TYR 15 2HB TYR 15 -5.149 1.239 8.557 114 2HB TYR 15 1HB TYR 15 -4.371 2.311 7.402 115 HD1 TYR 15 1HD TYR 15 -6.508 -0.603 7.836 116 HD2 TYR 15 2HD TYR 15 -4.525 1.862 4.999 117 HE1 TYR 15 1HE TYR 15 -7.917 -1.537 6.050 118 HE2 TYR 15 2HE TYR 15 -5.927 0.936 3.206 119 HH TYR 15 HH TYR 15 -7.282 -0.949 2.705 120 H SER 16 H SER 16 -1.744 2.589 7.920 121 HA SER 16 HA SER 16 -0.771 2.479 10.583 122 1HB SER 16 2HB SER 16 0.318 3.812 8.791 123 2HB SER 16 1HB SER 16 -1.079 4.887 8.754 124 HG SER 16 HG SER 16 1.024 5.193 10.221 125 HA PRO 17 HA PRO 17 -4.426 3.533 12.818 126 1HB PRO 17 2HB PRO 17 -3.275 4.838 14.957 127 2HB PRO 17 1HB PRO 17 -3.389 3.083 14.792 128 1HG PRO 17 2HG PRO 17 -1.090 4.897 14.184 129 2HG PRO 17 1HG PRO 17 -1.085 3.309 14.973 130 1HD PRO 17 2HD PRO 17 -0.370 3.585 12.410 131 2HD PRO 17 1HD PRO 17 -1.291 2.171 12.961 132 H ALA 18 H ALA 18 -2.257 5.900 11.637 133 HA ALA 18 HA ALA 18 -3.704 8.204 12.556 134 1HB ALA 18 1HB ALA 18 -1.296 8.302 12.149 135 2HB ALA 18 2HB ALA 18 -2.169 9.471 11.156 136 3HB ALA 18 3HB ALA 18 -1.574 7.974 10.438 137 H ILE 19 H ILE 19 -4.291 5.949 10.127 138 HA ILE 19 HA ILE 19 -5.240 7.594 8.047 139 HB ILE 19 HB ILE 19 -4.781 5.192 7.735 140 1HG1 ILE 19 2HG1 ILE 19 -7.649 5.929 7.118 141 2HG1 ILE 19 1HG1 ILE 19 -6.252 6.415 6.167 142 1HG2 ILE 19 1HG2 ILE 19 -7.279 4.776 9.367 143 2HG2 ILE 19 2HG2 ILE 19 -5.637 4.310 9.809 144 3HG2 ILE 19 3HG2 ILE 19 -6.441 3.521 8.454 145 1HD1 ILE 19 1HD1 ILE 19 -7.374 4.561 5.123 146 2HD1 ILE 19 2HD1 ILE 19 -7.230 3.606 6.597 147 3HD1 ILE 19 3HD1 ILE 19 -5.783 4.053 5.690 148 H SER 20 H SER 20 -7.126 8.666 7.733 149 HA SER 20 HA SER 20 -9.183 8.416 9.812 150 1HB SER 20 2HB SER 20 -7.579 10.251 10.403 151 2HB SER 20 1HB SER 20 -8.004 11.056 8.895 152 HG SER 20 HG SER 20 -9.700 11.826 9.843 153 H ASN 21 H ASN 21 -11.044 10.061 9.159 154 HA ASN 21 HA ASN 21 -12.800 10.446 7.763 155 1HB ASN 21 2HB ASN 21 -10.857 11.792 6.671 156 2HB ASN 21 1HB ASN 21 -10.848 10.517 5.461 157 1HD2 ASN 21 1HD2 ASN 21 -12.580 13.211 6.781 158 2HD2 ASN 21 2HD2 ASN 21 -13.737 13.360 5.499 159 H GLY 22 H GLY 22 -13.173 9.638 5.030 160 1HA GLY 22 2HA GLY 22 -13.480 6.753 5.428 161 2HA GLY 22 1HA GLY 22 -14.261 7.723 4.186 162 H TYR 23 H TYR 23 -10.863 8.056 4.809 163 HA TYR 23 HA TYR 23 -10.194 7.632 2.102 164 1HB TYR 23 2HB TYR 23 -8.911 8.939 3.986 165 2HB TYR 23 1HB TYR 23 -8.154 7.379 4.287 166 HD1 TYR 23 1HD TYR 23 -9.087 9.239 1.189 167 HD2 TYR 23 2HD TYR 23 -6.012 7.309 3.406 168 HE1 TYR 23 1HE TYR 23 -7.503 9.678 -0.640 169 HE2 TYR 23 2HE TYR 23 -4.418 7.738 1.581 170 HH TYR 23 HH TYR 23 -4.354 8.234 -0.758 171 H ARG 24 H ARG 24 -10.241 5.568 4.904 172 HA ARG 24 HA ARG 24 -8.740 3.396 3.998 173 1HB ARG 24 2HB ARG 24 -9.580 3.725 6.316 174 2HB ARG 24 1HB ARG 24 -11.204 3.370 5.755 175 1HG ARG 24 2HG ARG 24 -10.441 1.128 5.073 176 2HG ARG 24 1HG ARG 24 -8.860 1.488 5.768 177 1HD ARG 24 2HD ARG 24 -11.498 1.367 7.225 178 2HD ARG 24 1HD ARG 24 -10.169 0.214 7.347 179 HE ARG 24 HE ARG 24 -9.892 3.024 8.210 180 1HH1 ARG 24 1HH1 ARG 24 -9.467 -0.414 8.768 181 2HH1 ARG 24 2HH1 ARG 24 -8.713 -0.182 10.320 182 1HH2 ARG 24 1HH2 ARG 24 -8.894 3.311 10.230 183 2HH2 ARG 24 2HH2 ARG 24 -8.389 1.919 11.144 184 H GLN 25 H GLN 25 -12.139 4.201 3.572 185 HA GLN 25 HA GLN 25 -12.905 1.828 2.284 186 1HB GLN 25 2HB GLN 25 -14.104 4.575 1.990 187 2HB GLN 25 1HB GLN 25 -14.898 3.046 1.683 188 1HG GLN 25 2HG GLN 25 -14.811 2.478 4.027 189 2HG GLN 25 1HG GLN 25 -13.900 3.946 4.370 190 1HE2 GLN 25 1HE2 GLN 25 -15.531 5.478 2.433 191 2HE2 GLN 25 2HE2 GLN 25 -17.026 5.776 3.246 192 H ARG 26 H ARG 26 -11.731 4.934 1.118 193 HA ARG 26 HA ARG 26 -12.019 4.373 -1.632 194 1HB ARG 26 2HB ARG 26 -11.632 6.643 -0.582 195 2HB ARG 26 1HB ARG 26 -9.946 6.187 -0.397 196 1HG ARG 26 2HG ARG 26 -9.773 5.894 -2.828 197 2HG ARG 26 1HG ARG 26 -11.456 6.399 -2.992 198 1HD ARG 26 2HD ARG 26 -10.885 8.568 -1.987 199 2HD ARG 26 1HD ARG 26 -9.199 8.066 -1.877 200 HE ARG 26 HE ARG 26 -10.581 8.204 -4.477 201 1HH1 ARG 26 1HH1 ARG 26 -8.009 9.262 -2.346 202 2HH1 ARG 26 2HH1 ARG 26 -7.087 10.005 -3.612 203 1HH2 ARG 26 1HH2 ARG 26 -9.372 9.187 -6.148 204 2HH2 ARG 26 2HH2 ARG 26 -7.864 9.969 -5.776 205 H LEU 27 H LEU 27 -9.420 3.843 0.679 206 HA LEU 27 HA LEU 27 -7.493 2.930 -1.196 207 1HB LEU 27 2HB LEU 27 -7.769 2.397 1.764 208 2HB LEU 27 1HB LEU 27 -6.376 1.936 0.807 209 HG LEU 27 HG LEU 27 -7.318 4.760 1.311 210 1HD1 LEU 27 1HD1 LEU 27 -6.290 3.682 3.261 211 2HD1 LEU 27 2HD1 LEU 27 -5.291 4.985 2.620 212 3HD1 LEU 27 3HD1 LEU 27 -4.863 3.307 2.289 213 1HD2 LEU 27 1HD2 LEU 27 -6.336 4.559 -0.903 214 2HD2 LEU 27 2HD2 LEU 27 -4.932 3.737 -0.224 215 3HD2 LEU 27 3HD2 LEU 27 -5.241 5.425 0.178 216 H PHE 28 H PHE 28 -9.817 1.277 0.878 217 HA PHE 28 HA PHE 28 -9.241 -1.370 0.215 218 1HB PHE 28 2HB PHE 28 -10.840 -0.467 1.985 219 2HB PHE 28 1HB PHE 28 -12.018 -0.289 0.696 220 HD1 PHE 28 1HD PHE 28 -12.837 -2.315 -0.508 221 HD2 PHE 28 2HD PHE 28 -10.412 -2.566 2.977 222 HE1 PHE 28 1HE PHE 28 -13.537 -4.657 -0.189 223 HE2 PHE 28 2HE PHE 28 -11.103 -4.901 3.299 224 HZ PHE 28 HZ PHE 28 -12.667 -5.953 1.716 225 H SER 29 H SER 29 -11.416 0.946 -1.295 226 HA SER 29 HA SER 29 -12.434 -0.718 -3.313 227 1HB SER 29 2HB SER 29 -12.049 2.284 -3.321 228 2HB SER 29 1HB SER 29 -13.105 1.379 -4.401 229 HG SER 29 HG SER 29 -13.362 1.876 -1.643 230 H MET 30 H MET 30 -9.521 1.211 -3.105 231 HA MET 30 HA MET 30 -8.857 0.989 -5.881 232 1HB MET 30 2HB MET 30 -7.268 1.827 -3.462 233 2HB MET 30 1HB MET 30 -6.565 1.756 -5.068 234 1HG MET 30 2HG MET 30 -8.958 3.425 -4.332 235 2HG MET 30 1HG MET 30 -7.302 4.018 -4.352 236 1HE MET 30 1HE MET 30 -10.495 3.289 -6.367 237 2HE MET 30 2HE MET 30 -9.603 1.824 -6.780 238 3HE MET 30 3HE MET 30 -9.923 3.040 -8.018 239 H GLY 31 H GLY 31 -8.403 -0.981 -3.082 240 1HA GLY 31 2HA GLY 31 -7.967 -3.358 -3.571 241 2HA GLY 31 1HA GLY 31 -6.730 -2.811 -4.693 242 H LEU 32 H LEU 32 -6.723 -0.851 -1.998 243 HA LEU 32 HA LEU 32 -4.365 -2.245 -0.953 244 1HB LEU 32 2HB LEU 32 -5.369 0.548 -0.375 245 2HB LEU 32 1HB LEU 32 -3.839 -0.129 0.151 246 HG LEU 32 HG LEU 32 -4.606 0.360 -2.729 247 1HD1 LEU 32 1HD1 LEU 32 -4.342 2.453 -1.515 248 2HD1 LEU 32 2HD1 LEU 32 -3.001 2.199 -2.632 249 3HD1 LEU 32 3HD1 LEU 32 -2.776 1.914 -0.906 250 1HD2 LEU 32 1HD2 LEU 32 -2.248 -0.070 -3.181 251 2HD2 LEU 32 2HD2 LEU 32 -3.026 -1.474 -2.451 252 3HD2 LEU 32 3HD2 LEU 32 -1.983 -0.438 -1.477 253 H LEU 33 H LEU 33 -5.303 -3.823 0.314 254 HA LEU 33 HA LEU 33 -6.710 -2.894 2.694 255 1HB LEU 33 2HB LEU 33 -8.338 -4.789 2.398 256 2HB LEU 33 1HB LEU 33 -8.529 -3.443 1.298 257 HG LEU 33 HG LEU 33 -7.032 -4.967 -0.269 258 1HD1 LEU 33 1HD1 LEU 33 -8.416 -6.973 1.505 259 2HD1 LEU 33 2HD1 LEU 33 -6.675 -6.733 1.360 260 3HD1 LEU 33 3HD1 LEU 33 -7.598 -7.333 -0.017 261 1HD2 LEU 33 1HD2 LEU 33 -9.121 -5.865 -1.236 262 2HD2 LEU 33 2HD2 LEU 33 -9.213 -4.144 -0.861 263 3HD2 LEU 33 3HD2 LEU 33 -9.987 -5.320 0.201 264 HA PRO 34 HA PRO 34 -4.220 -5.811 4.866 265 1HB PRO 34 2HB PRO 34 -6.579 -6.571 6.469 266 2HB PRO 34 1HB PRO 34 -5.059 -5.835 6.986 267 1HG PRO 34 2HG PRO 34 -7.342 -4.432 6.926 268 2HG PRO 34 1HG PRO 34 -5.783 -3.691 6.515 269 1HD PRO 34 2HD PRO 34 -7.965 -4.653 4.702 270 2HD PRO 34 1HD PRO 34 -6.963 -3.190 4.583 271 H GLY 35 H GLY 35 -3.603 -7.773 4.257 272 1HA GLY 35 2HA GLY 35 -3.956 -10.144 4.179 273 2HA GLY 35 1HA GLY 35 -5.653 -9.845 3.832 274 H ALA 36 H ALA 36 -3.805 -7.716 2.069 275 HA ALA 36 HA ALA 36 -3.940 -9.443 -0.287 276 1HB ALA 36 1HB ALA 36 -4.025 -7.389 -1.600 277 2HB ALA 36 2HB ALA 36 -3.880 -6.430 -0.128 278 3HB ALA 36 3HB ALA 36 -5.316 -7.416 -0.399 279 H ALA 37 H ALA 37 -2.273 -8.415 -1.976 280 HA ALA 37 HA ALA 37 0.304 -7.911 -0.740 281 1HB ALA 37 1HB ALA 37 1.402 -9.792 -1.825 282 2HB ALA 37 2HB ALA 37 -0.142 -10.335 -2.480 283 3HB ALA 37 3HB ALA 37 0.133 -10.354 -0.737 284 H LEU 38 H LEU 38 1.775 -6.963 -2.071 285 HA LEU 38 HA LEU 38 0.987 -6.459 -4.870 286 1HB LEU 38 2HB LEU 38 2.309 -4.456 -3.049 287 2HB LEU 38 1HB LEU 38 1.800 -4.190 -4.699 288 HG LEU 38 HG LEU 38 -0.101 -4.741 -2.420 289 1HD1 LEU 38 1HD1 LEU 38 1.055 -2.629 -2.071 290 2HD1 LEU 38 2HD1 LEU 38 -0.628 -2.361 -2.525 291 3HD1 LEU 38 3HD1 LEU 38 0.655 -2.126 -3.713 292 1HD2 LEU 38 1HD2 LEU 38 -0.979 -5.371 -4.598 293 2HD2 LEU 38 2HD2 LEU 38 -0.547 -3.789 -5.247 294 3HD2 LEU 38 3HD2 LEU 38 -1.789 -3.924 -4.001 295 H ARG 39 H ARG 39 2.541 -6.862 -6.279 296 HA ARG 39 HA ARG 39 5.219 -7.478 -5.246 297 1HB ARG 39 2HB ARG 39 4.175 -9.279 -6.505 298 2HB ARG 39 1HB ARG 39 3.878 -8.200 -7.861 299 1HG ARG 39 2HG ARG 39 6.197 -8.049 -8.355 300 2HG ARG 39 1HG ARG 39 6.628 -8.884 -6.860 301 1HD ARG 39 2HD ARG 39 4.928 -10.155 -8.991 302 2HD ARG 39 1HD ARG 39 6.688 -10.257 -9.004 303 HE ARG 39 HE ARG 39 6.221 -11.175 -6.584 304 1HH1 ARG 39 1HH1 ARG 39 4.326 -11.791 -9.457 305 2HH1 ARG 39 2HH1 ARG 39 3.951 -13.433 -9.021 306 1HH2 ARG 39 1HH2 ARG 39 5.771 -13.356 -6.018 307 2HH2 ARG 39 2HH2 ARG 39 4.806 -14.335 -7.080 308 H VAL 40 H VAL 40 6.763 -6.017 -5.509 309 HA VAL 40 HA VAL 40 6.218 -3.544 -6.767 310 HB VAL 40 HB VAL 40 7.789 -3.926 -4.815 311 1HG1 VAL 40 1HG1 VAL 40 9.726 -4.645 -6.990 312 2HG1 VAL 40 2HG1 VAL 40 9.098 -5.730 -5.752 313 3HG1 VAL 40 3HG1 VAL 40 10.118 -4.366 -5.292 314 1HG2 VAL 40 1HG2 VAL 40 7.569 -1.780 -5.898 315 2HG2 VAL 40 2HG2 VAL 40 8.727 -2.258 -7.138 316 3HG2 VAL 40 3HG2 VAL 40 9.255 -2.066 -5.466 317 H VAL 41 H VAL 41 6.502 -2.842 -8.710 318 HA VAL 41 HA VAL 41 7.940 -4.484 -10.646 319 HB VAL 41 HB VAL 41 6.268 -2.003 -11.106 320 1HG1 VAL 41 1HG1 VAL 41 6.313 -2.669 -13.461 321 2HG1 VAL 41 2HG1 VAL 41 7.391 -4.005 -13.056 322 3HG1 VAL 41 3HG1 VAL 41 7.932 -2.340 -12.845 323 1HG2 VAL 41 1HG2 VAL 41 4.908 -3.835 -10.261 324 2HG2 VAL 41 2HG2 VAL 41 5.572 -4.912 -11.490 325 3HG2 VAL 41 3HG2 VAL 41 4.564 -3.546 -11.968 326 H ARG 42 H ARG 42 7.796 -1.075 -9.564 327 HA ARG 42 HA ARG 42 10.661 -0.788 -9.931 328 1HB ARG 42 2HB ARG 42 8.782 0.918 -11.580 329 2HB ARG 42 1HB ARG 42 10.521 1.114 -11.475 330 1HG ARG 42 2HG ARG 42 10.798 -1.108 -12.513 331 2HG ARG 42 1HG ARG 42 9.045 -1.206 -12.697 332 1HD ARG 42 2HD ARG 42 9.835 -0.441 -14.774 333 2HD ARG 42 1HD ARG 42 9.222 0.999 -13.962 334 HE ARG 42 HE ARG 42 12.092 0.349 -13.855 335 1HH1 ARG 42 1HH1 ARG 42 9.499 2.520 -14.783 336 2HH1 ARG 42 2HH1 ARG 42 10.571 3.793 -15.269 337 1HH2 ARG 42 1HH2 ARG 42 13.496 2.014 -14.503 338 2HH2 ARG 42 2HH2 ARG 42 12.856 3.508 -15.120 339 H ILE 43 H ILE 43 11.512 0.751 -8.610 340 HA ILE 43 HA ILE 43 9.736 2.949 -7.724 341 HB ILE 43 HB ILE 43 12.355 2.037 -6.467 342 1HG1 ILE 43 2HG1 ILE 43 10.709 1.828 -4.433 343 2HG1 ILE 43 1HG1 ILE 43 9.482 1.693 -5.685 344 1HG2 ILE 43 1HG2 ILE 43 11.935 3.764 -4.767 345 2HG2 ILE 43 2HG2 ILE 43 10.529 4.308 -5.679 346 3HG2 ILE 43 3HG2 ILE 43 12.141 4.466 -6.373 347 1HD1 ILE 43 1HD1 ILE 43 11.881 -0.090 -5.370 348 2HD1 ILE 43 2HD1 ILE 43 10.646 -0.232 -6.621 349 3HD1 ILE 43 3HD1 ILE 43 10.222 -0.489 -4.928 350 H ALA 44 H ALA 44 10.137 4.796 -8.871 351 HA ALA 44 HA ALA 44 12.143 5.086 -10.783 352 1HB ALA 44 1HB ALA 44 10.092 6.413 -10.772 353 2HB ALA 44 2HB ALA 44 11.527 7.433 -10.877 354 3HB ALA 44 3HB ALA 44 10.661 7.283 -9.347 355 HA PRO 45 HA PRO 45 15.760 5.775 -8.270 356 1HB PRO 45 2HB PRO 45 16.832 6.947 -10.766 357 2HB PRO 45 1HB PRO 45 17.448 5.607 -9.795 358 1HG PRO 45 2HG PRO 45 16.284 5.165 -12.151 359 2HG PRO 45 1HG PRO 45 16.026 4.065 -10.782 360 1HD PRO 45 2HD PRO 45 14.232 6.210 -11.858 361 2HD PRO 45 1HD PRO 45 13.816 4.576 -11.298 362 H LEU 46 H LEU 46 13.912 8.149 -9.831 363 HA LEU 46 HA LEU 46 15.214 10.537 -9.279 364 1HB LEU 46 2HB LEU 46 12.342 9.707 -9.425 365 2HB LEU 46 1HB LEU 46 12.726 11.315 -8.856 366 HG LEU 46 HG LEU 46 12.197 11.436 -11.196 367 1HD1 LEU 46 1HD1 LEU 46 14.237 12.405 -12.103 368 2HD1 LEU 46 2HD1 LEU 46 15.180 11.631 -10.831 369 3HD1 LEU 46 3HD1 LEU 46 14.004 12.879 -10.420 370 1HD2 LEU 46 1HD2 LEU 46 12.587 9.121 -11.809 371 2HD2 LEU 46 2HD2 LEU 46 14.325 9.347 -11.618 372 3HD2 LEU 46 3HD2 LEU 46 13.459 10.201 -12.896 373 H GLY 47 H GLY 47 13.357 8.402 -7.221 374 1HA GLY 47 2HA GLY 47 14.469 9.116 -4.805 375 2HA GLY 47 1HA GLY 47 13.102 10.192 -5.040 376 H ASP 48 H ASP 48 11.001 9.227 -5.494 377 HA ASP 48 HA ASP 48 10.621 6.430 -5.080 378 1HB ASP 48 2HB ASP 48 11.201 7.042 -2.804 379 2HB ASP 48 1HB ASP 48 9.986 8.303 -2.801 380 HA PRO 49 HA PRO 49 6.383 6.798 -5.414 381 1HB PRO 49 2HB PRO 49 5.960 5.692 -7.813 382 2HB PRO 49 1HB PRO 49 6.320 7.419 -7.698 383 1HG PRO 49 2HG PRO 49 7.981 5.259 -8.775 384 2HG PRO 49 1HG PRO 49 8.181 7.010 -8.952 385 1HD PRO 49 2HD PRO 49 9.437 5.172 -7.006 386 2HD PRO 49 1HD PRO 49 9.935 6.810 -7.493 387 H ILE 50 H ILE 50 5.164 4.543 -6.114 388 HA ILE 50 HA ILE 50 7.058 2.322 -6.081 389 HB ILE 50 HB ILE 50 4.663 2.417 -4.209 390 1HG1 ILE 50 2HG1 ILE 50 7.639 2.284 -3.649 391 2HG1 ILE 50 1HG1 ILE 50 6.579 3.648 -3.320 392 1HG2 ILE 50 1HG2 ILE 50 4.958 0.208 -5.231 393 2HG2 ILE 50 2HG2 ILE 50 5.324 0.183 -3.507 394 3HG2 ILE 50 3HG2 ILE 50 6.636 0.184 -4.685 395 1HD1 ILE 50 1HD1 ILE 50 5.346 2.288 -1.700 396 2HD1 ILE 50 2HD1 ILE 50 7.056 2.445 -1.291 397 3HD1 ILE 50 3HD1 ILE 50 6.453 0.951 -2.008 398 H GLN 51 H GLN 51 6.659 1.683 -8.099 399 HA GLN 51 HA GLN 51 3.943 1.351 -9.061 400 1HB GLN 51 2HB GLN 51 6.627 0.763 -10.330 401 2HB GLN 51 1HB GLN 51 5.079 0.610 -11.136 402 1HG GLN 51 2HG GLN 51 4.691 3.003 -10.861 403 2HG GLN 51 1HG GLN 51 6.245 3.158 -10.046 404 1HE2 GLN 51 1HE2 GLN 51 4.620 2.668 -13.063 405 2HE2 GLN 51 2HE2 GLN 51 5.993 2.955 -14.082 406 H VAL 52 H VAL 52 2.853 -0.489 -8.714 407 HA VAL 52 HA VAL 52 4.375 -2.968 -8.249 408 HB VAL 52 HB VAL 52 2.747 -3.592 -6.470 409 1HG1 VAL 52 1HG1 VAL 52 3.726 -2.136 -4.710 410 2HG1 VAL 52 2HG1 VAL 52 4.467 -1.173 -5.991 411 3HG1 VAL 52 3HG1 VAL 52 4.906 -2.868 -5.791 412 1HG2 VAL 52 1HG2 VAL 52 1.426 -1.854 -5.386 413 2HG2 VAL 52 2HG2 VAL 52 0.948 -2.050 -7.072 414 3HG2 VAL 52 3HG2 VAL 52 1.953 -0.682 -6.593 415 H GLU 53 H GLU 53 2.866 -4.892 -8.188 416 HA GLU 53 HA GLU 53 0.476 -4.566 -9.841 417 1HB GLU 53 2HB GLU 53 2.228 -5.220 -11.402 418 2HB GLU 53 1HB GLU 53 2.710 -6.549 -10.357 419 1HG GLU 53 2HG GLU 53 1.410 -7.303 -12.289 420 2HG GLU 53 1HG GLU 53 0.611 -7.679 -10.764 421 H THR 54 H THR 54 -1.141 -6.009 -9.335 422 HA THR 54 HA THR 54 -0.596 -7.783 -7.045 423 HB THR 54 HB THR 54 -1.785 -5.631 -6.456 424 HG1 THR 54 1HG THR 54 -1.976 -7.366 -5.063 425 1HG2 THR 54 1HG2 THR 54 -4.052 -6.908 -7.985 426 2HG2 THR 54 2HG2 THR 54 -3.212 -5.419 -8.418 427 3HG2 THR 54 3HG2 THR 54 -4.184 -5.483 -6.950 428 H ARG 55 H ARG 55 -0.920 -7.982 -10.041 429 HA ARG 55 HA ARG 55 -1.499 -9.644 -11.482 430 1HB ARG 55 2HB ARG 55 -2.939 -10.882 -9.127 431 2HB ARG 55 1HB ARG 55 -2.691 -11.654 -10.687 432 1HG ARG 55 2HG ARG 55 -0.310 -11.695 -10.348 433 2HG ARG 55 1HG ARG 55 -0.473 -10.770 -8.853 434 1HD ARG 55 2HD ARG 55 -1.533 -13.545 -9.377 435 2HD ARG 55 1HD ARG 55 -0.162 -13.121 -8.351 436 HE ARG 55 HE ARG 55 -2.543 -11.788 -7.527 437 1HH1 ARG 55 1HH1 ARG 55 -0.833 -14.846 -7.355 438 2HH1 ARG 55 2HH1 ARG 55 -1.638 -15.348 -5.893 439 1HH2 ARG 55 1HH2 ARG 55 -3.585 -12.438 -5.618 440 2HH2 ARG 55 2HH2 ARG 55 -3.214 -13.987 -4.911 441 H GLN 56 H GLN 56 -3.076 -7.230 -10.838 442 HA GLN 56 HA GLN 56 -5.538 -8.005 -12.218 443 1HB GLN 56 2HB GLN 56 -5.430 -6.476 -9.617 444 2HB GLN 56 1HB GLN 56 -6.816 -6.417 -10.693 445 1HG GLN 56 2HG GLN 56 -5.730 -8.930 -9.443 446 2HG GLN 56 1HG GLN 56 -7.076 -7.986 -8.808 447 1HE2 GLN 56 1HE2 GLN 56 -9.036 -7.932 -9.974 448 2HE2 GLN 56 2HE2 GLN 56 -9.414 -9.150 -11.143 449 H THR 57 H THR 57 -3.763 -5.288 -10.807 450 HA THR 57 HA THR 57 -3.668 -3.925 -13.351 451 HB THR 57 HB THR 57 -4.998 -2.597 -10.970 452 HG1 THR 57 1HG THR 57 -6.005 -4.046 -13.071 453 1HG2 THR 57 1HG2 THR 57 -5.393 -0.728 -12.515 454 2HG2 THR 57 2HG2 THR 57 -4.497 -1.579 -13.771 455 3HG2 THR 57 3HG2 THR 57 -3.668 -1.040 -12.310 456 H SER 58 H SER 58 -1.795 -2.787 -13.492 457 HA SER 58 HA SER 58 0.021 -2.779 -11.274 458 1HB SER 58 2HB SER 58 0.361 -1.214 -13.827 459 2HB SER 58 1HB SER 58 1.612 -1.882 -12.785 460 HG SER 58 HG SER 58 0.362 -3.983 -13.438 461 H LEU 59 H LEU 59 0.422 -1.161 -9.878 462 HA LEU 59 HA LEU 59 -1.039 1.366 -10.274 463 1HB LEU 59 2HB LEU 59 -0.878 -0.404 -7.885 464 2HB LEU 59 1HB LEU 59 -0.928 1.325 -7.621 465 HG LEU 59 HG LEU 59 -3.146 0.547 -7.413 466 1HD1 LEU 59 1HD1 LEU 59 -4.325 1.696 -9.211 467 2HD1 LEU 59 2HD1 LEU 59 -2.843 1.732 -10.166 468 3HD1 LEU 59 3HD1 LEU 59 -2.938 2.629 -8.651 469 1HD2 LEU 59 1HD2 LEU 59 -4.299 -0.764 -9.114 470 2HD2 LEU 59 2HD2 LEU 59 -2.892 -1.622 -8.488 471 3HD2 LEU 59 3HD2 LEU 59 -2.817 -0.842 -10.068 472 H ALA 60 H ALA 60 -0.208 3.121 -8.816 473 HA ALA 60 HA ALA 60 2.595 2.925 -8.043 474 1HB ALA 60 1HB ALA 60 1.537 5.042 -9.926 475 2HB ALA 60 2HB ALA 60 2.720 3.794 -10.314 476 3HB ALA 60 3HB ALA 60 3.130 5.068 -9.165 477 H LEU 61 H LEU 61 3.075 4.359 -6.298 478 HA LEU 61 HA LEU 61 0.907 6.036 -5.346 479 1HB LEU 61 2HB LEU 61 0.879 4.933 -3.123 480 2HB LEU 61 1HB LEU 61 0.218 3.948 -4.408 481 HG LEU 61 HG LEU 61 2.675 2.964 -4.427 482 1HD1 LEU 61 1HD1 LEU 61 2.346 3.905 -1.584 483 2HD1 LEU 61 2HD1 LEU 61 3.538 4.503 -2.739 484 3HD1 LEU 61 3HD1 LEU 61 3.613 2.831 -2.182 485 1HD2 LEU 61 1HD2 LEU 61 0.599 2.239 -2.371 486 2HD2 LEU 61 2HD2 LEU 61 1.896 1.192 -2.950 487 3HD2 LEU 61 3HD2 LEU 61 0.618 1.706 -4.051 488 H ARG 62 H ARG 62 1.527 7.410 -3.597 489 HA ARG 62 HA ARG 62 4.394 7.912 -3.655 490 1HB ARG 62 2HB ARG 62 2.001 9.662 -3.251 491 2HB ARG 62 1HB ARG 62 3.598 10.190 -2.735 492 1HG ARG 62 2HG ARG 62 3.105 11.039 -4.921 493 2HG ARG 62 1HG ARG 62 4.428 9.887 -5.012 494 1HD ARG 62 2HD ARG 62 2.642 8.166 -5.623 495 2HD ARG 62 1HD ARG 62 1.582 9.545 -5.890 496 HE ARG 62 HE ARG 62 4.089 9.747 -7.279 497 1HH1 ARG 62 1HH1 ARG 62 0.829 8.444 -7.432 498 2HH1 ARG 62 2HH1 ARG 62 0.827 8.329 -9.172 499 1HH2 ARG 62 1HH2 ARG 62 4.086 9.573 -9.560 500 2HH2 ARG 62 2HH2 ARG 62 2.673 8.971 -10.375 501 H ARG 63 H ARG 63 5.311 8.910 -1.730 502 HA ARG 63 HA ARG 63 5.347 7.234 0.445 503 1HB ARG 63 2HB ARG 63 6.218 10.044 -0.012 504 2HB ARG 63 1HB ARG 63 6.270 9.409 1.627 505 1HG ARG 63 2HG ARG 63 7.866 7.837 1.111 506 2HG ARG 63 1HG ARG 63 7.492 7.863 -0.612 507 1HD ARG 63 2HD ARG 63 8.660 10.230 0.826 508 2HD ARG 63 1HD ARG 63 9.664 8.970 0.106 509 HE ARG 63 HE ARG 63 8.068 9.646 -1.942 510 1HH1 ARG 63 1HH1 ARG 63 9.846 11.679 0.300 511 2HH1 ARG 63 2HH1 ARG 63 10.260 12.857 -0.914 512 1HH2 ARG 63 1HH2 ARG 63 8.606 11.214 -3.525 513 2HH2 ARG 63 2HH2 ARG 63 9.555 12.600 -3.073 514 H LYS 64 H LYS 64 3.348 10.093 0.021 515 HA LYS 64 HA LYS 64 2.349 10.307 2.624 516 1HB LYS 64 2HB LYS 64 2.008 12.035 0.906 517 2HB LYS 64 1HB LYS 64 0.951 10.952 0.016 518 1HG LYS 64 2HG LYS 64 0.223 11.551 2.828 519 2HG LYS 64 1HG LYS 64 0.032 12.841 1.640 520 1HD LYS 64 2HD LYS 64 -1.103 10.069 1.292 521 2HD LYS 64 1HD LYS 64 -2.004 11.406 2.008 522 1HE LYS 64 2HE LYS 64 -1.803 12.683 -0.037 523 2HE LYS 64 1HE LYS 64 -0.782 11.436 -0.748 524 1HZ LYS 64 1HZ LYS 64 -3.588 10.982 0.111 525 2HZ LYS 64 2HZ LYS 64 -2.599 9.924 -0.779 526 3HZ LYS 64 3HZ LYS 64 -3.137 11.372 -1.475 527 H ASP 65 H ASP 65 1.019 8.496 -0.136 528 HA ASP 65 HA ASP 65 -1.093 7.332 1.385 529 1HB ASP 65 2HB ASP 65 0.106 6.662 -1.308 530 2HB ASP 65 1HB ASP 65 -1.266 5.801 -0.628 531 H LEU 66 H LEU 66 2.163 6.417 0.517 532 HA LEU 66 HA LEU 66 2.127 3.734 1.349 533 1HB LEU 66 2HB LEU 66 3.922 4.697 0.004 534 2HB LEU 66 1HB LEU 66 4.383 5.742 1.329 535 HG LEU 66 HG LEU 66 4.984 3.722 2.656 536 1HD1 LEU 66 1HD1 LEU 66 3.545 2.116 1.530 537 2HD1 LEU 66 2HD1 LEU 66 5.230 1.591 1.496 538 3HD1 LEU 66 3HD1 LEU 66 4.491 2.288 0.054 539 1HD2 LEU 66 1HD2 LEU 66 6.687 4.977 1.456 540 2HD2 LEU 66 2HD2 LEU 66 6.383 4.024 0.004 541 3HD2 LEU 66 3HD2 LEU 66 7.053 3.251 1.440 542 H ALA 67 H ALA 67 2.631 6.738 3.106 543 HA ALA 67 HA ALA 67 3.607 5.595 5.496 544 1HB ALA 67 1HB ALA 67 2.140 8.199 5.136 545 2HB ALA 67 2HB ALA 67 3.874 7.961 4.926 546 3HB ALA 67 3HB ALA 67 3.141 7.744 6.515 547 H LEU 68 H LEU 68 0.465 5.659 4.155 548 HA LEU 68 HA LEU 68 -0.830 5.342 6.751 549 1HB LEU 68 2HB LEU 68 -1.992 5.524 3.973 550 2HB LEU 68 1HB LEU 68 -2.934 5.403 5.447 551 HG LEU 68 HG LEU 68 -1.095 7.687 4.730 552 1HD1 LEU 68 1HD1 LEU 68 -3.140 8.977 4.468 553 2HD1 LEU 68 2HD1 LEU 68 -4.101 7.531 4.780 554 3HD1 LEU 68 3HD1 LEU 68 -3.092 7.625 3.337 555 1HD2 LEU 68 1HD2 LEU 68 -2.973 7.318 7.061 556 2HD2 LEU 68 2HD2 LEU 68 -2.080 8.791 6.682 557 3HD2 LEU 68 3HD2 LEU 68 -1.210 7.324 7.133 558 H LEU 69 H LEU 69 0.687 3.348 4.589 559 HA LEU 69 HA LEU 69 -1.190 1.122 5.061 560 1HB LEU 69 2HB LEU 69 0.908 1.436 2.913 561 2HB LEU 69 1HB LEU 69 -0.120 0.032 3.122 562 HG LEU 69 HG LEU 69 -1.093 2.809 2.441 563 1HD1 LEU 69 1HD1 LEU 69 -0.809 0.342 0.728 564 2HD1 LEU 69 2HD1 LEU 69 0.166 1.807 0.610 565 3HD1 LEU 69 3HD1 LEU 69 -1.556 1.862 0.231 566 1HD2 LEU 69 1HD2 LEU 69 -2.714 1.477 3.717 567 2HD2 LEU 69 2HD2 LEU 69 -2.566 0.180 2.531 568 3HD2 LEU 69 3HD2 LEU 69 -3.235 1.740 2.052 569 H THR 70 H THR 70 -0.564 -0.470 6.379 570 HA THR 70 HA THR 70 2.229 -0.713 7.158 571 HB THR 70 HB THR 70 -0.050 -2.503 7.967 572 HG1 THR 70 1HG THR 70 0.826 -0.493 9.698 573 1HG2 THR 70 1HG2 THR 70 1.351 -2.941 9.933 574 2HG2 THR 70 2HG2 THR 70 2.594 -1.874 9.279 575 3HG2 THR 70 3HG2 THR 70 2.183 -3.371 8.440 576 H LEU 71 H LEU 71 3.583 -1.904 6.016 577 HA LEU 71 HA LEU 71 2.533 -4.116 4.380 578 1HB LEU 71 2HB LEU 71 4.758 -2.225 3.607 579 2HB LEU 71 1HB LEU 71 4.129 -3.538 2.634 580 HG LEU 71 HG LEU 71 2.592 -1.057 3.409 581 1HD1 LEU 71 1HD1 LEU 71 3.817 -1.870 0.777 582 2HD1 LEU 71 2HD1 LEU 71 4.394 -0.582 1.835 583 3HD1 LEU 71 3HD1 LEU 71 2.817 -0.444 1.058 584 1HD2 LEU 71 1HD2 LEU 71 1.115 -2.949 3.131 585 2HD2 LEU 71 2HD2 LEU 71 1.886 -3.364 1.600 586 3HD2 LEU 71 3HD2 LEU 71 0.963 -1.869 1.745 587 H VAL 72 H VAL 72 3.586 -5.994 4.536 588 HA VAL 72 HA VAL 72 6.365 -5.986 5.503 589 HB VAL 72 HB VAL 72 5.952 -8.092 6.751 590 1HG1 VAL 72 1HG1 VAL 72 4.868 -7.051 8.700 591 2HG1 VAL 72 2HG1 VAL 72 4.356 -5.711 7.677 592 3HG1 VAL 72 3HG1 VAL 72 6.073 -5.997 7.960 593 1HG2 VAL 72 1HG2 VAL 72 3.916 -8.820 5.626 594 2HG2 VAL 72 2HG2 VAL 72 3.040 -7.451 6.309 595 3HG2 VAL 72 3HG2 VAL 72 3.669 -8.714 7.368 596 HA PRO 73 HA PRO 73 6.931 -8.211 1.747 597 1HB PRO 73 2HB PRO 73 9.417 -9.288 2.888 598 2HB PRO 73 1HB PRO 73 9.188 -8.207 1.510 599 1HG PRO 73 2HG PRO 73 10.235 -7.348 3.838 600 2HG PRO 73 1HG PRO 73 9.217 -6.311 2.821 601 1HD PRO 73 2HD PRO 73 8.505 -7.810 5.314 602 2HD PRO 73 1HD PRO 73 8.031 -6.175 4.808 603 H LEU 74 H LEU 74 7.181 -10.348 0.859 604 HA LEU 74 HA LEU 74 5.926 -12.422 2.315 605 1HB LEU 74 2HB LEU 74 7.434 -12.342 -0.282 606 2HB LEU 74 1HB LEU 74 6.812 -13.840 0.366 607 HG LEU 74 HG LEU 74 5.148 -11.440 -0.396 608 1HD1 LEU 74 1HD1 LEU 74 5.436 -14.145 -1.699 609 2HD1 LEU 74 2HD1 LEU 74 6.093 -12.631 -2.320 610 3HD1 LEU 74 3HD1 LEU 74 4.347 -12.857 -2.210 611 1HD2 LEU 74 1HD2 LEU 74 4.193 -12.697 1.482 612 2HD2 LEU 74 2HD2 LEU 74 4.320 -14.184 0.543 613 3HD2 LEU 74 3HD2 LEU 74 3.235 -12.898 0.013 614 H ASP 75 H ASP 75 9.210 -11.458 1.929 615 HA ASP 75 HA ASP 75 11.164 -12.140 2.818 616 1HB ASP 75 2HB ASP 75 9.967 -12.303 4.956 617 2HB ASP 75 1HB ASP 75 9.470 -13.945 4.555 Start of MODEL 9 1 HA MET 1 HA MET 1 11.663 0.476 -21.662 2 1HB MET 1 2HB MET 1 10.621 0.070 -23.839 3 2HB MET 1 1HB MET 1 11.870 -1.102 -24.238 4 1HG MET 1 2HG MET 1 11.118 -2.500 -22.352 5 2HG MET 1 1HG MET 1 9.821 -1.347 -22.046 6 1HE MET 1 1HE MET 1 7.720 -1.643 -25.365 7 2HE MET 1 2HE MET 1 8.992 -0.489 -24.960 8 3HE MET 1 3HE MET 1 7.777 -0.923 -23.758 9 H SER 2 H SER 2 12.609 -0.435 -19.995 10 HA SER 2 HA SER 2 14.434 -2.695 -20.466 11 1HB SER 2 2HB SER 2 14.730 -0.615 -18.281 12 2HB SER 2 1HB SER 2 15.831 -1.953 -18.612 13 HG SER 2 HG SER 2 15.271 0.257 -20.319 14 H ALA 3 H ALA 3 13.614 -4.496 -19.602 15 HA ALA 3 HA ALA 3 11.399 -4.284 -17.743 16 1HB ALA 3 1HB ALA 3 12.637 -6.748 -18.958 17 2HB ALA 3 2HB ALA 3 11.290 -5.841 -19.645 18 3HB ALA 3 3HB ALA 3 11.101 -6.660 -18.094 19 H LEU 4 H LEU 4 11.838 -4.048 -15.654 20 HA LEU 4 HA LEU 4 14.173 -5.335 -14.501 21 1HB LEU 4 2HB LEU 4 12.148 -3.381 -13.464 22 2HB LEU 4 1HB LEU 4 13.163 -4.270 -12.347 23 HG LEU 4 HG LEU 4 15.163 -3.329 -13.579 24 1HD1 LEU 4 1HD1 LEU 4 14.839 -1.337 -14.924 25 2HD1 LEU 4 2HD1 LEU 4 13.089 -1.494 -14.765 26 3HD1 LEU 4 3HD1 LEU 4 14.007 -2.713 -15.648 27 1HD2 LEU 4 1HD2 LEU 4 15.025 -1.151 -12.468 28 2HD2 LEU 4 2HD2 LEU 4 14.455 -2.456 -11.427 29 3HD2 LEU 4 3HD2 LEU 4 13.295 -1.391 -12.223 30 H GLN 5 H GLN 5 14.138 -7.030 -13.134 31 HA GLN 5 HA GLN 5 11.796 -8.706 -13.312 32 1HB GLN 5 2HB GLN 5 14.493 -9.207 -12.031 33 2HB GLN 5 1HB GLN 5 13.241 -10.417 -12.288 34 1HG GLN 5 2HG GLN 5 13.445 -10.220 -14.658 35 2HG GLN 5 1HG GLN 5 14.549 -8.856 -14.497 36 1HE2 GLN 5 1HE2 GLN 5 16.157 -9.871 -15.654 37 2HE2 GLN 5 2HE2 GLN 5 17.069 -11.201 -15.017 38 HA PRO 6 HA PRO 6 10.090 -7.402 -9.424 39 1HB PRO 6 2HB PRO 6 8.720 -10.019 -9.525 40 2HB PRO 6 1HB PRO 6 8.032 -8.396 -9.427 41 1HG PRO 6 2HG PRO 6 7.897 -9.824 -11.685 42 2HG PRO 6 1HG PRO 6 8.135 -8.067 -11.714 43 1HD PRO 6 2HD PRO 6 10.129 -10.262 -12.119 44 2HD PRO 6 1HD PRO 6 9.976 -8.705 -12.961 45 H SER 7 H SER 7 11.025 -7.594 -7.493 46 HA SER 7 HA SER 7 12.505 -10.071 -6.946 47 1HB SER 7 2HB SER 7 13.770 -7.899 -7.128 48 2HB SER 7 1HB SER 7 12.931 -7.359 -5.677 49 HG SER 7 HG SER 7 13.834 -9.525 -4.828 50 H ARG 8 H ARG 8 11.239 -7.518 -4.783 51 HA ARG 8 HA ARG 8 10.458 -9.659 -2.954 52 1HB ARG 8 2HB ARG 8 10.875 -6.702 -2.546 53 2HB ARG 8 1HB ARG 8 10.169 -7.741 -1.316 54 1HG ARG 8 2HG ARG 8 12.194 -9.094 -1.293 55 2HG ARG 8 1HG ARG 8 12.895 -8.056 -2.531 56 1HD ARG 8 2HD ARG 8 12.718 -6.139 -1.001 57 2HD ARG 8 1HD ARG 8 12.057 -7.206 0.238 58 HE ARG 8 HE ARG 8 14.715 -7.763 -0.867 59 1HH1 ARG 8 1HH1 ARG 8 12.724 -6.725 1.823 60 2HH1 ARG 8 2HH1 ARG 8 13.987 -6.940 3.003 61 1HH2 ARG 8 1HH2 ARG 8 16.375 -8.047 0.688 62 2HH2 ARG 8 2HH2 ARG 8 16.043 -7.720 2.361 63 H SER 9 H SER 9 8.525 -9.214 -1.602 64 HA SER 9 HA SER 9 6.386 -7.789 -3.005 65 1HB SER 9 2HB SER 9 6.266 -10.192 -3.676 66 2HB SER 9 1HB SER 9 6.088 -10.624 -1.976 67 HG SER 9 HG SER 9 4.344 -8.729 -3.077 68 H TYR 10 H TYR 10 4.900 -6.877 -1.662 69 HA TYR 10 HA TYR 10 5.392 -7.195 1.231 70 1HB TYR 10 2HB TYR 10 4.434 -4.648 -0.095 71 2HB TYR 10 1HB TYR 10 5.023 -4.851 1.549 72 HD1 TYR 10 1HD TYR 10 6.001 -4.614 -1.986 73 HD2 TYR 10 2HD TYR 10 7.376 -4.816 2.033 74 HE1 TYR 10 1HE TYR 10 8.241 -3.935 -2.728 75 HE2 TYR 10 2HE TYR 10 9.624 -4.139 1.301 76 HH TYR 10 HH TYR 10 10.984 -4.049 -0.618 77 H ARG 11 H ARG 11 3.618 -7.765 2.375 78 HA ARG 11 HA ARG 11 1.042 -7.705 0.977 79 1HB ARG 11 2HB ARG 11 1.742 -9.083 3.568 80 2HB ARG 11 1HB ARG 11 0.242 -9.251 2.670 81 1HG ARG 11 2HG ARG 11 1.656 -10.132 0.759 82 2HG ARG 11 1HG ARG 11 2.973 -10.244 1.928 83 1HD ARG 11 2HD ARG 11 1.872 -12.374 1.788 84 2HD ARG 11 1HD ARG 11 1.525 -11.648 3.358 85 HE ARG 11 HE ARG 11 -0.462 -11.128 1.334 86 1HH1 ARG 11 1HH1 ARG 11 0.557 -13.224 3.939 87 2HH1 ARG 11 2HH1 ARG 11 -1.014 -13.942 4.152 88 1HH2 ARG 11 1HH2 ARG 11 -2.532 -12.063 1.601 89 2HH2 ARG 11 2HH2 ARG 11 -2.761 -13.313 2.787 90 H ILE 12 H ILE 12 -0.816 -6.851 1.947 91 HA ILE 12 HA ILE 12 -0.253 -4.574 3.679 92 HB ILE 12 HB ILE 12 -2.945 -5.370 2.551 93 1HG1 ILE 12 2HG1 ILE 12 -0.890 -3.524 1.309 94 2HG1 ILE 12 1HG1 ILE 12 -1.304 -5.127 0.711 95 1HG2 ILE 12 1HG2 ILE 12 -1.852 -2.728 3.508 96 2HG2 ILE 12 2HG2 ILE 12 -3.002 -3.753 4.367 97 3HG2 ILE 12 3HG2 ILE 12 -3.463 -2.993 2.843 98 1HD1 ILE 12 1HD1 ILE 12 -3.136 -2.741 0.843 99 2HD1 ILE 12 2HD1 ILE 12 -3.596 -4.350 0.286 100 3HD1 ILE 12 3HD1 ILE 12 -2.392 -3.418 -0.605 101 H THR 13 H THR 13 -0.366 -4.810 5.816 102 HA THR 13 HA THR 13 -1.910 -7.045 6.891 103 HB THR 13 HB THR 13 0.404 -6.836 7.677 104 HG1 THR 13 1HG THR 13 -0.103 -7.272 9.750 105 1HG2 THR 13 1HG2 THR 13 1.067 -4.979 9.134 106 2HG2 THR 13 2HG2 THR 13 -0.482 -4.191 8.830 107 3HG2 THR 13 3HG2 THR 13 0.668 -4.418 7.512 108 H GLY 14 H GLY 14 -2.094 -3.651 6.473 109 1HA GLY 14 2HA GLY 14 -4.704 -3.382 7.255 110 2HA GLY 14 1HA GLY 14 -3.779 -3.100 8.724 111 H TYR 15 H TYR 15 -4.714 -0.958 8.651 112 HA TYR 15 HA TYR 15 -3.571 0.782 6.584 113 1HB TYR 15 2HB TYR 15 -5.902 1.252 8.455 114 2HB TYR 15 1HB TYR 15 -5.305 2.413 7.279 115 HD1 TYR 15 1HD TYR 15 -7.117 -0.753 7.726 116 HD2 TYR 15 2HD TYR 15 -5.775 2.159 4.931 117 HE1 TYR 15 1HE TYR 15 -8.609 -1.709 6.022 118 HE2 TYR 15 2HE TYR 15 -7.262 1.209 3.221 119 HH TYR 15 HH TYR 15 -8.392 -0.851 2.710 120 H SER 16 H SER 16 -2.748 2.832 7.226 121 HA SER 16 HA SER 16 -0.940 2.902 9.302 122 1HB SER 16 2HB SER 16 -1.014 4.498 7.400 123 2HB SER 16 1HB SER 16 -2.428 5.262 8.125 124 HG SER 16 HG SER 16 0.082 5.827 8.575 125 HA PRO 17 HA PRO 17 -3.482 3.341 12.938 126 1HB PRO 17 2HB PRO 17 -1.043 4.360 14.227 127 2HB PRO 17 1HB PRO 17 -1.990 2.916 14.599 128 1HG PRO 17 2HG PRO 17 0.439 2.755 13.467 129 2HG PRO 17 1HG PRO 17 -0.861 1.619 13.062 130 1HD PRO 17 2HD PRO 17 0.112 4.006 11.534 131 2HD PRO 17 1HD PRO 17 -0.340 2.393 10.939 132 H ALA 18 H ALA 18 -2.235 5.788 11.122 133 HA ALA 18 HA ALA 18 -3.280 7.879 12.919 134 1HB ALA 18 1HB ALA 18 -1.840 9.453 11.762 135 2HB ALA 18 2HB ALA 18 -1.287 8.180 10.674 136 3HB ALA 18 3HB ALA 18 -0.886 8.109 12.389 137 H ILE 19 H ILE 19 -4.327 6.031 10.517 138 HA ILE 19 HA ILE 19 -5.307 8.113 8.740 139 HB ILE 19 HB ILE 19 -4.512 5.800 7.957 140 1HG1 ILE 19 2HG1 ILE 19 -7.230 6.781 7.059 141 2HG1 ILE 19 1HG1 ILE 19 -5.684 7.432 6.523 142 1HG2 ILE 19 1HG2 ILE 19 -6.212 4.035 7.913 143 2HG2 ILE 19 2HG2 ILE 19 -7.277 5.038 8.898 144 3HG2 ILE 19 3HG2 ILE 19 -5.753 4.452 9.564 145 1HD1 ILE 19 1HD1 ILE 19 -6.602 5.943 4.862 146 2HD1 ILE 19 2HD1 ILE 19 -6.700 4.642 6.049 147 3HD1 ILE 19 3HD1 ILE 19 -5.126 5.258 5.543 148 H SER 20 H SER 20 -7.500 8.537 8.359 149 HA SER 20 HA SER 20 -9.195 8.129 10.680 150 1HB SER 20 2HB SER 20 -9.031 10.384 9.688 151 2HB SER 20 1HB SER 20 -9.676 9.759 8.169 152 HG SER 20 HG SER 20 -10.959 10.085 10.662 153 H ASN 21 H ASN 21 -11.430 7.442 10.411 154 HA ASN 21 HA ASN 21 -11.684 4.957 9.196 155 1HB ASN 21 2HB ASN 21 -13.870 6.901 9.978 156 2HB ASN 21 1HB ASN 21 -14.140 5.217 9.561 157 1HD2 ASN 21 1HD2 ASN 21 -11.724 4.274 10.906 158 2HD2 ASN 21 2HD2 ASN 21 -12.060 4.368 12.597 159 H GLY 22 H GLY 22 -12.728 8.135 8.018 160 1HA GLY 22 2HA GLY 22 -14.129 7.168 5.757 161 2HA GLY 22 1HA GLY 22 -13.556 8.810 5.975 162 H TYR 23 H TYR 23 -10.764 8.126 6.203 163 HA TYR 23 HA TYR 23 -10.157 8.015 3.414 164 1HB TYR 23 2HB TYR 23 -8.865 9.130 5.490 165 2HB TYR 23 1HB TYR 23 -7.983 7.609 5.406 166 HD1 TYR 23 1HD TYR 23 -7.116 6.951 3.002 167 HD2 TYR 23 2HD TYR 23 -8.166 10.901 4.185 168 HE1 TYR 23 1HE TYR 23 -5.755 7.859 1.166 169 HE2 TYR 23 2HE TYR 23 -6.810 11.818 2.353 170 HH TYR 23 HH TYR 23 -4.843 11.087 0.961 171 H ARG 24 H ARG 24 -10.088 5.780 6.094 172 HA ARG 24 HA ARG 24 -8.843 3.579 4.864 173 1HB ARG 24 2HB ARG 24 -9.259 3.580 7.219 174 2HB ARG 24 1HB ARG 24 -10.974 3.849 6.985 175 1HG ARG 24 2HG ARG 24 -11.054 1.598 5.871 176 2HG ARG 24 1HG ARG 24 -9.408 1.357 6.452 177 1HD ARG 24 2HD ARG 24 -10.046 1.321 8.672 178 2HD ARG 24 1HD ARG 24 -11.531 2.216 8.363 179 HE ARG 24 HE ARG 24 -11.177 -0.592 7.506 180 1HH1 ARG 24 1HH1 ARG 24 -12.995 1.936 9.097 181 2HH1 ARG 24 2HH1 ARG 24 -14.389 0.948 9.393 182 1HH2 ARG 24 1HH2 ARG 24 -13.006 -1.909 7.868 183 2HH2 ARG 24 2HH2 ARG 24 -14.404 -1.251 8.667 184 H GLN 25 H GLN 25 -12.195 4.655 4.991 185 HA GLN 25 HA GLN 25 -13.349 2.614 3.482 186 1HB GLN 25 2HB GLN 25 -14.103 5.509 3.796 187 2HB GLN 25 1HB GLN 25 -15.137 4.305 3.068 188 1HG GLN 25 2HG GLN 25 -15.276 3.097 5.148 189 2HG GLN 25 1HG GLN 25 -14.124 4.208 5.891 190 1HE2 GLN 25 1HE2 GLN 25 -16.581 5.248 3.666 191 2HE2 GLN 25 2HE2 GLN 25 -17.531 6.118 4.822 192 H ARG 26 H ARG 26 -11.959 5.701 2.549 193 HA ARG 26 HA ARG 26 -12.395 5.606 -0.197 194 1HB ARG 26 2HB ARG 26 -11.550 7.585 0.951 195 2HB ARG 26 1HB ARG 26 -10.063 6.747 1.355 196 1HG ARG 26 2HG ARG 26 -9.618 8.218 -0.459 197 2HG ARG 26 1HG ARG 26 -9.576 6.564 -1.072 198 1HD ARG 26 2HD ARG 26 -11.803 6.815 -1.992 199 2HD ARG 26 1HD ARG 26 -11.935 8.430 -1.295 200 HE ARG 26 HE ARG 26 -10.075 7.675 -3.461 201 1HH1 ARG 26 1HH1 ARG 26 -12.087 10.021 -1.816 202 2HH1 ARG 26 2HH1 ARG 26 -11.690 11.316 -2.902 203 1HH2 ARG 26 1HH2 ARG 26 -9.539 9.363 -4.887 204 2HH2 ARG 26 2HH2 ARG 26 -10.241 10.944 -4.657 205 H LEU 27 H LEU 27 -9.715 4.363 1.728 206 HA LEU 27 HA LEU 27 -8.206 3.436 -0.493 207 1HB LEU 27 2HB LEU 27 -8.099 2.795 2.447 208 2HB LEU 27 1HB LEU 27 -6.973 2.118 1.290 209 HG LEU 27 HG LEU 27 -7.303 5.026 2.019 210 1HD1 LEU 27 1HD1 LEU 27 -4.975 4.814 2.747 211 2HD1 LEU 27 2HD1 LEU 27 -5.016 3.094 2.357 212 3HD1 LEU 27 3HD1 LEU 27 -6.049 3.735 3.636 213 1HD2 LEU 27 1HD2 LEU 27 -5.510 3.789 -0.068 214 2HD2 LEU 27 2HD2 LEU 27 -5.480 5.475 0.451 215 3HD2 LEU 27 3HD2 LEU 27 -6.899 4.832 -0.377 216 H PHE 28 H PHE 28 -10.479 1.916 1.711 217 HA PHE 28 HA PHE 28 -10.232 -0.738 0.844 218 1HB PHE 28 2HB PHE 28 -11.500 0.159 2.851 219 2HB PHE 28 1HB PHE 28 -12.792 0.591 1.743 220 HD1 PHE 28 1HD PHE 28 -11.069 -2.142 3.430 221 HD2 PHE 28 2HD PHE 28 -14.154 -1.126 0.684 222 HE1 PHE 28 1HE PHE 28 -12.011 -4.407 3.652 223 HE2 PHE 28 2HE PHE 28 -15.098 -3.387 0.897 224 HZ PHE 28 HZ PHE 28 -14.027 -5.030 2.385 225 H SER 29 H SER 29 -12.354 1.867 -0.231 226 HA SER 29 HA SER 29 -13.707 0.412 -2.237 227 1HB SER 29 2HB SER 29 -13.216 3.388 -2.010 228 2HB SER 29 1HB SER 29 -14.431 2.620 -3.029 229 HG SER 29 HG SER 29 -14.310 2.788 -0.213 230 H MET 30 H MET 30 -10.706 2.194 -2.203 231 HA MET 30 HA MET 30 -10.290 2.212 -5.023 232 1HB MET 30 2HB MET 30 -8.452 2.584 -2.666 233 2HB MET 30 1HB MET 30 -7.854 2.594 -4.318 234 1HG MET 30 2HG MET 30 -9.170 4.508 -4.860 235 2HG MET 30 1HG MET 30 -10.012 4.430 -3.314 236 1HE MET 30 1HE MET 30 -6.546 5.077 -5.079 237 2HE MET 30 2HE MET 30 -6.157 3.841 -3.884 238 3HE MET 30 3HE MET 30 -5.526 5.477 -3.697 239 H GLY 31 H GLY 31 -9.859 -0.135 -2.535 240 1HA GLY 31 2HA GLY 31 -9.740 -2.462 -3.256 241 2HA GLY 31 1HA GLY 31 -8.634 -1.944 -4.521 242 H LEU 32 H LEU 32 -8.008 -0.276 -1.694 243 HA LEU 32 HA LEU 32 -5.651 -1.956 -1.222 244 1HB LEU 32 2HB LEU 32 -6.247 0.866 -0.311 245 2HB LEU 32 1HB LEU 32 -4.739 0.008 -0.058 246 HG LEU 32 HG LEU 32 -5.865 0.793 -2.749 247 1HD1 LEU 32 1HD1 LEU 32 -5.123 2.727 -1.480 248 2HD1 LEU 32 2HD1 LEU 32 -4.020 2.393 -2.815 249 3HD1 LEU 32 3HD1 LEU 32 -3.573 1.945 -1.169 250 1HD2 LEU 32 1HD2 LEU 32 -3.201 -0.422 -2.021 251 2HD2 LEU 32 2HD2 LEU 32 -3.715 0.074 -3.634 252 3HD2 LEU 32 3HD2 LEU 32 -4.529 -1.263 -2.820 253 H LEU 33 H LEU 33 -6.306 -3.536 0.141 254 HA LEU 33 HA LEU 33 -7.195 -2.718 2.791 255 1HB LEU 33 2HB LEU 33 -8.865 -4.642 2.709 256 2HB LEU 33 1HB LEU 33 -9.283 -3.175 1.852 257 HG LEU 33 HG LEU 33 -8.300 -4.415 -0.225 258 1HD1 LEU 33 1HD1 LEU 33 -7.373 -6.312 1.016 259 2HD1 LEU 33 2HD1 LEU 33 -8.578 -6.827 -0.164 260 3HD1 LEU 33 3HD1 LEU 33 -8.997 -6.750 1.548 261 1HD2 LEU 33 1HD2 LEU 33 -10.937 -5.195 1.004 262 2HD2 LEU 33 2HD2 LEU 33 -10.503 -5.357 -0.698 263 3HD2 LEU 33 3HD2 LEU 33 -10.629 -3.756 0.034 264 HA PRO 34 HA PRO 34 -4.391 -5.718 4.352 265 1HB PRO 34 2HB PRO 34 -5.920 -6.959 6.289 266 2HB PRO 34 1HB PRO 34 -5.074 -5.424 6.505 267 1HG PRO 34 2HG PRO 34 -7.947 -5.935 5.866 268 2HG PRO 34 1HG PRO 34 -7.233 -4.715 6.937 269 1HD PRO 34 2HD PRO 34 -8.121 -4.087 4.482 270 2HD PRO 34 1HD PRO 34 -6.680 -3.313 5.178 271 H GLY 35 H GLY 35 -3.748 -7.733 3.857 272 1HA GLY 35 2HA GLY 35 -4.254 -10.109 3.672 273 2HA GLY 35 1HA GLY 35 -5.813 -9.665 2.998 274 H ALA 36 H ALA 36 -4.319 -7.498 1.418 275 HA ALA 36 HA ALA 36 -3.811 -9.177 -0.868 276 1HB ALA 36 1HB ALA 36 -3.694 -7.071 -2.107 277 2HB ALA 36 2HB ALA 36 -3.794 -6.172 -0.593 278 3HB ALA 36 3HB ALA 36 -5.157 -7.154 -1.126 279 H ALA 37 H ALA 37 -1.944 -8.008 -2.271 280 HA ALA 37 HA ALA 37 0.467 -7.535 -0.783 281 1HB ALA 37 1HB ALA 37 0.191 -10.132 -2.297 282 2HB ALA 37 2HB ALA 37 0.280 -9.961 -0.544 283 3HB ALA 37 3HB ALA 37 1.666 -9.523 -1.543 284 H LEU 38 H LEU 38 1.863 -6.400 -1.979 285 HA LEU 38 HA LEU 38 1.429 -6.247 -4.887 286 1HB LEU 38 2HB LEU 38 2.846 -4.303 -3.058 287 2HB LEU 38 1HB LEU 38 2.618 -4.097 -4.778 288 HG LEU 38 HG LEU 38 1.050 -2.691 -3.757 289 1HD1 LEU 38 1HD1 LEU 38 -1.106 -3.588 -4.421 290 2HD1 LEU 38 2HD1 LEU 38 -0.409 -5.206 -4.511 291 3HD1 LEU 38 3HD1 LEU 38 0.143 -3.947 -5.615 292 1HD2 LEU 38 1HD2 LEU 38 1.143 -3.575 -1.502 293 2HD2 LEU 38 2HD2 LEU 38 0.209 -4.985 -2.000 294 3HD2 LEU 38 3HD2 LEU 38 -0.528 -3.382 -2.032 295 H ARG 39 H ARG 39 3.091 -6.645 -6.259 296 HA ARG 39 HA ARG 39 5.601 -7.582 -5.044 297 1HB ARG 39 2HB ARG 39 4.571 -9.363 -6.251 298 2HB ARG 39 1HB ARG 39 4.238 -8.327 -7.629 299 1HG ARG 39 2HG ARG 39 6.472 -8.326 -8.317 300 2HG ARG 39 1HG ARG 39 7.043 -8.925 -6.758 301 1HD ARG 39 2HD ARG 39 5.155 -10.593 -8.350 302 2HD ARG 39 1HD ARG 39 6.852 -10.525 -8.828 303 HE ARG 39 HE ARG 39 7.334 -11.236 -6.472 304 1HH1 ARG 39 1HH1 ARG 39 4.274 -12.031 -7.986 305 2HH1 ARG 39 2HH1 ARG 39 4.047 -13.481 -7.057 306 1HH2 ARG 39 1HH2 ARG 39 7.064 -13.128 -5.272 307 2HH2 ARG 39 2HH2 ARG 39 5.652 -14.119 -5.512 308 H VAL 40 H VAL 40 7.446 -6.531 -5.476 309 HA VAL 40 HA VAL 40 7.219 -3.921 -6.560 310 HB VAL 40 HB VAL 40 8.779 -4.597 -4.700 311 1HG1 VAL 40 1HG1 VAL 40 9.750 -6.586 -5.680 312 2HG1 VAL 40 2HG1 VAL 40 11.002 -5.409 -5.281 313 3HG1 VAL 40 3HG1 VAL 40 10.486 -5.615 -6.955 314 1HG2 VAL 40 1HG2 VAL 40 10.556 -3.027 -5.389 315 2HG2 VAL 40 2HG2 VAL 40 8.934 -2.418 -5.715 316 3HG2 VAL 40 3HG2 VAL 40 9.914 -3.064 -7.032 317 H VAL 41 H VAL 41 7.415 -3.216 -8.536 318 HA VAL 41 HA VAL 41 8.826 -4.873 -10.513 319 HB VAL 41 HB VAL 41 6.920 -2.569 -10.983 320 1HG1 VAL 41 1HG1 VAL 41 6.975 -3.261 -13.324 321 2HG1 VAL 41 2HG1 VAL 41 8.168 -4.500 -12.936 322 3HG1 VAL 41 3HG1 VAL 41 8.581 -2.794 -12.762 323 1HG2 VAL 41 1HG2 VAL 41 5.802 -4.545 -10.066 324 2HG2 VAL 41 2HG2 VAL 41 6.504 -5.535 -11.347 325 3HG2 VAL 41 3HG2 VAL 41 5.348 -4.264 -11.746 326 H ARG 42 H ARG 42 8.520 -1.472 -9.409 327 HA ARG 42 HA ARG 42 11.296 -0.982 -10.095 328 1HB ARG 42 2HB ARG 42 9.051 0.028 -11.757 329 2HB ARG 42 1HB ARG 42 10.386 1.123 -11.446 330 1HG ARG 42 2HG ARG 42 11.782 -1.010 -12.235 331 2HG ARG 42 1HG ARG 42 10.273 -1.314 -13.107 332 1HD ARG 42 2HD ARG 42 11.919 0.025 -14.405 333 2HD ARG 42 1HD ARG 42 10.377 0.848 -14.156 334 HE ARG 42 HE ARG 42 11.576 1.963 -12.219 335 1HH1 ARG 42 1HH1 ARG 42 13.135 1.084 -15.230 336 2HH1 ARG 42 2HH1 ARG 42 14.480 2.154 -14.983 337 1HH2 ARG 42 1HH2 ARG 42 13.322 3.350 -11.881 338 2HH2 ARG 42 2HH2 ARG 42 14.603 3.440 -13.059 339 H ILE 43 H ILE 43 12.134 0.990 -9.338 340 HA ILE 43 HA ILE 43 10.229 2.910 -8.146 341 HB ILE 43 HB ILE 43 13.073 2.357 -7.212 342 1HG1 ILE 43 2HG1 ILE 43 10.429 2.028 -5.764 343 2HG1 ILE 43 1HG1 ILE 43 11.397 0.712 -6.425 344 1HG2 ILE 43 1HG2 ILE 43 11.106 4.449 -6.243 345 2HG2 ILE 43 2HG2 ILE 43 12.593 4.758 -7.139 346 3HG2 ILE 43 3HG2 ILE 43 12.670 4.091 -5.510 347 1HD1 ILE 43 1HD1 ILE 43 13.192 1.248 -4.872 348 2HD1 ILE 43 2HD1 ILE 43 11.684 0.932 -4.017 349 3HD1 ILE 43 3HD1 ILE 43 12.248 2.590 -4.229 350 H ALA 44 H ALA 44 10.628 5.066 -8.774 351 HA ALA 44 HA ALA 44 12.131 5.351 -11.227 352 1HB ALA 44 1HB ALA 44 11.092 7.524 -11.410 353 2HB ALA 44 2HB ALA 44 10.479 7.406 -9.759 354 3HB ALA 44 3HB ALA 44 9.874 6.313 -11.008 355 HA PRO 45 HA PRO 45 15.764 7.193 -9.410 356 1HB PRO 45 2HB PRO 45 16.624 8.553 -11.623 357 2HB PRO 45 1HB PRO 45 16.858 6.817 -11.386 358 1HG PRO 45 2HG PRO 45 14.770 8.249 -12.980 359 2HG PRO 45 1HG PRO 45 15.700 6.798 -13.397 360 1HD PRO 45 2HD PRO 45 13.162 6.653 -12.526 361 2HD PRO 45 1HD PRO 45 14.368 5.418 -12.110 362 H LEU 46 H LEU 46 13.057 8.858 -10.571 363 HA LEU 46 HA LEU 46 13.661 11.555 -10.192 364 1HB LEU 46 2HB LEU 46 11.153 9.942 -9.778 365 2HB LEU 46 1HB LEU 46 11.185 11.653 -9.416 366 HG LEU 46 HG LEU 46 11.851 12.061 -11.806 367 1HD1 LEU 46 1HD1 LEU 46 11.135 9.151 -12.138 368 2HD1 LEU 46 2HD1 LEU 46 12.752 9.838 -12.290 369 3HD1 LEU 46 3HD1 LEU 46 11.488 10.297 -13.431 370 1HD2 LEU 46 1HD2 LEU 46 9.596 11.728 -12.684 371 2HD2 LEU 46 2HD2 LEU 46 9.560 12.355 -11.037 372 3HD2 LEU 46 3HD2 LEU 46 9.227 10.650 -11.337 373 H GLY 47 H GLY 47 13.205 8.979 -7.983 374 1HA GLY 47 2HA GLY 47 14.307 9.862 -5.729 375 2HA GLY 47 1HA GLY 47 12.742 10.663 -5.688 376 H ASP 48 H ASP 48 10.821 9.363 -5.849 377 HA ASP 48 HA ASP 48 10.974 6.553 -5.808 378 1HB ASP 48 2HB ASP 48 10.231 6.188 -3.531 379 2HB ASP 48 1HB ASP 48 11.798 6.967 -3.540 380 HA PRO 49 HA PRO 49 6.668 6.422 -5.528 381 1HB PRO 49 2HB PRO 49 6.119 5.261 -7.874 382 2HB PRO 49 1HB PRO 49 6.334 7.015 -7.796 383 1HG PRO 49 2HG PRO 49 8.081 4.987 -9.002 384 2HG PRO 49 1HG PRO 49 8.080 6.743 -9.238 385 1HD PRO 49 2HD PRO 49 9.722 5.116 -7.417 386 2HD PRO 49 1HD PRO 49 9.955 6.799 -7.937 387 H ILE 50 H ILE 50 5.635 4.016 -6.245 388 HA ILE 50 HA ILE 50 7.782 2.039 -6.273 389 HB ILE 50 HB ILE 50 5.360 1.746 -4.455 390 1HG1 ILE 50 2HG1 ILE 50 8.286 2.126 -3.770 391 2HG1 ILE 50 1HG1 ILE 50 7.003 3.305 -3.508 392 1HG2 ILE 50 1HG2 ILE 50 6.412 -0.337 -3.735 393 2HG2 ILE 50 2HG2 ILE 50 7.723 -0.080 -4.886 394 3HG2 ILE 50 3HG2 ILE 50 6.081 -0.359 -5.467 395 1HD1 ILE 50 1HD1 ILE 50 7.257 0.619 -2.171 396 2HD1 ILE 50 2HD1 ILE 50 5.947 1.770 -1.919 397 3HD1 ILE 50 3HD1 ILE 50 7.591 2.191 -1.442 398 H GLN 51 H GLN 51 7.491 1.349 -8.270 399 HA GLN 51 HA GLN 51 4.882 0.940 -9.448 400 1HB GLN 51 2HB GLN 51 7.129 1.592 -10.617 401 2HB GLN 51 1HB GLN 51 7.479 -0.126 -10.535 402 1HG GLN 51 2HG GLN 51 6.594 0.088 -12.637 403 2HG GLN 51 1HG GLN 51 5.181 -0.395 -11.697 404 1HE2 GLN 51 1HE2 GLN 51 3.556 1.105 -11.304 405 2HE2 GLN 51 2HE2 GLN 51 3.439 2.591 -12.188 406 H VAL 52 H VAL 52 3.722 -0.859 -9.057 407 HA VAL 52 HA VAL 52 5.135 -3.358 -8.443 408 HB VAL 52 HB VAL 52 3.454 -3.854 -6.667 409 1HG1 VAL 52 1HG1 VAL 52 5.680 -3.153 -6.040 410 2HG1 VAL 52 2HG1 VAL 52 4.496 -2.470 -4.929 411 3HG1 VAL 52 3HG1 VAL 52 5.213 -1.459 -6.182 412 1HG2 VAL 52 1HG2 VAL 52 2.219 -1.999 -5.648 413 2HG2 VAL 52 2HG2 VAL 52 1.722 -2.270 -7.318 414 3HG2 VAL 52 3HG2 VAL 52 2.787 -0.921 -6.923 415 H GLU 53 H GLU 53 3.477 -5.205 -8.301 416 HA GLU 53 HA GLU 53 1.332 -4.802 -10.275 417 1HB GLU 53 2HB GLU 53 3.153 -6.069 -11.308 418 2HB GLU 53 1HB GLU 53 3.134 -7.218 -9.980 419 1HG GLU 53 2HG GLU 53 2.038 -8.054 -12.023 420 2HG GLU 53 1HG GLU 53 0.970 -8.018 -10.621 421 H THR 54 H THR 54 -0.588 -5.841 -9.858 422 HA THR 54 HA THR 54 -0.828 -6.871 -7.112 423 HB THR 54 HB THR 54 -3.054 -5.697 -8.775 424 HG1 THR 54 1HG THR 54 -0.971 -4.426 -7.655 425 1HG2 THR 54 1HG2 THR 54 -2.755 -6.143 -5.800 426 2HG2 THR 54 2HG2 THR 54 -3.766 -7.088 -6.892 427 3HG2 THR 54 3HG2 THR 54 -4.141 -5.392 -6.592 428 H ARG 55 H ARG 55 -1.767 -7.343 -10.478 429 HA ARG 55 HA ARG 55 -1.964 -10.107 -10.357 430 1HB ARG 55 2HB ARG 55 -4.420 -10.459 -10.471 431 2HB ARG 55 1HB ARG 55 -3.863 -9.897 -8.903 432 1HG ARG 55 2HG ARG 55 -4.660 -7.665 -9.382 433 2HG ARG 55 1HG ARG 55 -5.128 -8.156 -11.011 434 1HD ARG 55 2HD ARG 55 -6.761 -9.699 -10.109 435 2HD ARG 55 1HD ARG 55 -6.250 -9.320 -8.466 436 HE ARG 55 HE ARG 55 -7.014 -6.974 -9.011 437 1HH1 ARG 55 1HH1 ARG 55 -8.425 -9.809 -10.518 438 2HH1 ARG 55 2HH1 ARG 55 -9.953 -9.044 -10.840 439 1HH2 ARG 55 1HH2 ARG 55 -9.030 -5.963 -9.404 440 2HH2 ARG 55 2HH2 ARG 55 -10.301 -6.856 -10.199 441 H GLN 56 H GLN 56 -3.400 -7.217 -11.871 442 HA GLN 56 HA GLN 56 -3.188 -8.591 -14.462 443 1HB GLN 56 2HB GLN 56 -5.591 -7.167 -13.349 444 2HB GLN 56 1HB GLN 56 -5.377 -7.424 -15.074 445 1HG GLN 56 2HG GLN 56 -5.441 -9.614 -13.009 446 2HG GLN 56 1HG GLN 56 -6.813 -9.117 -14.000 447 1HE2 GLN 56 1HE2 GLN 56 -3.706 -10.693 -13.985 448 2HE2 GLN 56 2HE2 GLN 56 -3.858 -11.437 -15.541 449 H THR 57 H THR 57 -2.579 -5.781 -12.683 450 HA THR 57 HA THR 57 -1.661 -4.397 -15.018 451 HB THR 57 HB THR 57 -4.024 -3.759 -15.096 452 HG1 THR 57 1HG THR 57 -3.582 -1.696 -15.498 453 1HG2 THR 57 1HG2 THR 57 -3.596 -2.619 -12.332 454 2HG2 THR 57 2HG2 THR 57 -4.593 -4.018 -12.734 455 3HG2 THR 57 3HG2 THR 57 -5.043 -2.416 -13.318 456 H SER 58 H SER 58 0.066 -3.224 -14.528 457 HA SER 58 HA SER 58 1.015 -3.265 -11.832 458 1HB SER 58 2HB SER 58 2.249 -1.912 -14.237 459 2HB SER 58 1HB SER 58 3.066 -2.373 -12.745 460 HG SER 58 HG SER 58 1.924 -4.567 -13.628 461 H LEU 59 H LEU 59 1.289 -1.611 -10.447 462 HA LEU 59 HA LEU 59 0.076 0.963 -11.181 463 1HB LEU 59 2HB LEU 59 -0.520 -0.815 -8.857 464 2HB LEU 59 1HB LEU 59 -0.669 0.922 -8.669 465 HG LEU 59 HG LEU 59 -2.077 -0.544 -10.872 466 1HD1 LEU 59 1HD1 LEU 59 -3.077 0.003 -8.081 467 2HD1 LEU 59 2HD1 LEU 59 -2.801 -1.582 -8.804 468 3HD1 LEU 59 3HD1 LEU 59 -4.077 -0.539 -9.428 469 1HD2 LEU 59 1HD2 LEU 59 -2.522 2.100 -9.509 470 2HD2 LEU 59 2HD2 LEU 59 -3.564 1.412 -10.754 471 3HD2 LEU 59 3HD2 LEU 59 -1.898 1.847 -11.138 472 H ALA 60 H ALA 60 0.477 2.580 -9.359 473 HA ALA 60 HA ALA 60 3.181 2.276 -8.253 474 1HB ALA 60 1HB ALA 60 3.385 3.568 -10.328 475 2HB ALA 60 2HB ALA 60 3.761 4.554 -8.914 476 3HB ALA 60 3HB ALA 60 2.202 4.727 -9.721 477 H LEU 61 H LEU 61 3.627 3.842 -6.505 478 HA LEU 61 HA LEU 61 1.355 5.192 -5.344 479 1HB LEU 61 2HB LEU 61 1.539 4.054 -3.177 480 2HB LEU 61 1HB LEU 61 1.038 2.959 -4.446 481 HG LEU 61 HG LEU 61 3.650 2.454 -4.497 482 1HD1 LEU 61 1HD1 LEU 61 4.181 4.098 -2.765 483 2HD1 LEU 61 2HD1 LEU 61 4.583 2.457 -2.256 484 3HD1 LEU 61 3HD1 LEU 61 3.129 3.240 -1.637 485 1HD2 LEU 61 1HD2 LEU 61 1.677 1.320 -2.525 486 2HD2 LEU 61 2HD2 LEU 61 3.197 0.557 -2.992 487 3HD2 LEU 61 3HD2 LEU 61 1.923 0.791 -4.188 488 H ARG 62 H ARG 62 2.062 6.535 -3.471 489 HA ARG 62 HA ARG 62 4.831 7.348 -3.949 490 1HB ARG 62 2HB ARG 62 2.550 9.030 -2.932 491 2HB ARG 62 1HB ARG 62 4.186 9.591 -3.237 492 1HG ARG 62 2HG ARG 62 2.865 10.283 -5.054 493 2HG ARG 62 1HG ARG 62 3.853 8.949 -5.643 494 1HD ARG 62 2HD ARG 62 1.994 7.426 -5.373 495 2HD ARG 62 1HD ARG 62 1.016 8.707 -4.691 496 HE ARG 62 HE ARG 62 1.864 9.469 -7.266 497 1HH1 ARG 62 1HH1 ARG 62 -0.322 7.261 -5.649 498 2HH1 ARG 62 2HH1 ARG 62 -1.350 7.038 -7.029 499 1HH2 ARG 62 1HH2 ARG 62 0.514 9.180 -9.110 500 2HH2 ARG 62 2HH2 ARG 62 -0.880 8.150 -8.989 501 H ARG 63 H ARG 63 5.665 8.691 -1.967 502 HA ARG 63 HA ARG 63 5.918 6.934 0.215 503 1HB ARG 63 2HB ARG 63 7.020 8.822 1.373 504 2HB ARG 63 1HB ARG 63 7.622 8.569 -0.255 505 1HG ARG 63 2HG ARG 63 6.277 10.432 -1.057 506 2HG ARG 63 1HG ARG 63 5.663 10.691 0.578 507 1HD ARG 63 2HD ARG 63 7.478 12.238 0.044 508 2HD ARG 63 1HD ARG 63 7.916 11.160 1.367 509 HE ARG 63 HE ARG 63 8.777 10.187 -1.192 510 1HH1 ARG 63 1HH1 ARG 63 9.593 12.366 1.437 511 2HH1 ARG 63 2HH1 ARG 63 11.300 12.310 1.108 512 1HH2 ARG 63 1HH2 ARG 63 11.011 10.146 -1.641 513 2HH2 ARG 63 2HH2 ARG 63 12.101 11.060 -0.632 514 H LYS 64 H LYS 64 3.830 9.727 -0.268 515 HA LYS 64 HA LYS 64 2.670 9.785 2.304 516 1HB LYS 64 2HB LYS 64 2.417 11.658 0.785 517 2HB LYS 64 1HB LYS 64 1.572 10.652 -0.381 518 1HG LYS 64 2HG LYS 64 -0.030 12.015 0.742 519 2HG LYS 64 1HG LYS 64 -0.247 10.350 1.281 520 1HD LYS 64 2HD LYS 64 1.078 10.880 3.305 521 2HD LYS 64 1HD LYS 64 1.164 12.561 2.774 522 1HE LYS 64 2HE LYS 64 -1.324 12.621 2.776 523 2HE LYS 64 1HE LYS 64 -1.321 10.999 3.461 524 1HZ LYS 64 1HZ LYS 64 -1.585 12.578 5.213 525 2HZ LYS 64 2HZ LYS 64 -0.230 13.461 4.712 526 3HZ LYS 64 3HZ LYS 64 -0.033 11.905 5.359 527 H ASP 65 H ASP 65 1.608 8.263 -0.715 528 HA ASP 65 HA ASP 65 -0.709 7.030 0.269 529 1HB ASP 65 2HB ASP 65 0.036 7.365 -2.156 530 2HB ASP 65 1HB ASP 65 1.039 5.936 -1.939 531 H LEU 66 H LEU 66 2.632 5.937 0.104 532 HA LEU 66 HA LEU 66 2.259 3.300 1.000 533 1HB LEU 66 2HB LEU 66 4.329 4.117 -0.046 534 2HB LEU 66 1HB LEU 66 4.638 5.135 1.346 535 HG LEU 66 HG LEU 66 4.818 3.077 2.745 536 1HD1 LEU 66 1HD1 LEU 66 3.487 1.596 1.332 537 2HD1 LEU 66 2HD1 LEU 66 5.091 0.929 1.636 538 3HD1 LEU 66 3HD1 LEU 66 4.725 1.674 0.079 539 1HD2 LEU 66 1HD2 LEU 66 6.808 4.182 1.890 540 2HD2 LEU 66 2HD2 LEU 66 6.691 3.265 0.389 541 3HD2 LEU 66 3HD2 LEU 66 7.027 2.430 1.905 542 H ALA 67 H ALA 67 2.687 6.340 2.718 543 HA ALA 67 HA ALA 67 3.058 5.167 5.289 544 1HB ALA 67 1HB ALA 67 3.882 7.403 4.767 545 2HB ALA 67 2HB ALA 67 2.787 7.430 6.149 546 3HB ALA 67 3HB ALA 67 2.224 7.974 4.568 547 H LEU 68 H LEU 68 0.331 5.494 3.339 548 HA LEU 68 HA LEU 68 -1.578 5.771 5.511 549 1HB LEU 68 2HB LEU 68 -2.009 5.229 2.572 550 2HB LEU 68 1HB LEU 68 -3.269 5.588 3.736 551 HG LEU 68 HG LEU 68 -1.045 7.490 2.996 552 1HD1 LEU 68 1HD1 LEU 68 -3.917 7.431 2.084 553 2HD1 LEU 68 2HD1 LEU 68 -2.503 7.081 1.090 554 3HD1 LEU 68 3HD1 LEU 68 -2.748 8.704 1.735 555 1HD2 LEU 68 1HD2 LEU 68 -1.936 7.856 5.229 556 2HD2 LEU 68 2HD2 LEU 68 -3.579 7.875 4.587 557 3HD2 LEU 68 3HD2 LEU 68 -2.443 9.149 4.141 558 H LEU 69 H LEU 69 -0.018 3.255 3.749 559 HA LEU 69 HA LEU 69 -1.912 1.283 4.858 560 1HB LEU 69 2HB LEU 69 -0.118 1.083 2.438 561 2HB LEU 69 1HB LEU 69 -1.047 -0.252 3.089 562 HG LEU 69 HG LEU 69 -2.230 2.296 1.983 563 1HD1 LEU 69 1HD1 LEU 69 -1.144 0.914 0.268 564 2HD1 LEU 69 2HD1 LEU 69 -2.898 0.934 0.088 565 3HD1 LEU 69 3HD1 LEU 69 -2.100 -0.471 0.792 566 1HD2 LEU 69 1HD2 LEU 69 -3.511 -0.286 2.879 567 2HD2 LEU 69 2HD2 LEU 69 -4.346 1.061 2.107 568 3HD2 LEU 69 3HD2 LEU 69 -3.622 1.270 3.702 569 H THR 70 H THR 70 -1.135 -0.226 6.251 570 HA THR 70 HA THR 70 1.720 -0.166 6.824 571 HB THR 70 HB THR 70 -0.352 -1.876 8.171 572 HG1 THR 70 1HG THR 70 0.329 0.847 8.502 573 1HG2 THR 70 1HG2 THR 70 2.345 -0.869 9.087 574 2HG2 THR 70 2HG2 THR 70 1.981 -2.516 8.567 575 3HG2 THR 70 3HG2 THR 70 1.241 -1.868 10.032 576 H LEU 71 H LEU 71 3.035 -1.443 5.792 577 HA LEU 71 HA LEU 71 1.949 -3.849 4.498 578 1HB LEU 71 2HB LEU 71 4.333 -2.171 3.708 579 2HB LEU 71 1HB LEU 71 3.809 -3.630 2.891 580 HG LEU 71 HG LEU 71 2.301 -1.018 3.040 581 1HD1 LEU 71 1HD1 LEU 71 3.613 -2.458 0.740 582 2HD1 LEU 71 2HD1 LEU 71 4.192 -0.982 1.510 583 3HD1 LEU 71 3HD1 LEU 71 2.669 -0.974 0.623 584 1HD2 LEU 71 1HD2 LEU 71 0.745 -2.881 3.108 585 2HD2 LEU 71 2HD2 LEU 71 1.540 -3.621 1.718 586 3HD2 LEU 71 3HD2 LEU 71 0.688 -2.087 1.534 587 H VAL 72 H VAL 72 2.760 -5.756 4.999 588 HA VAL 72 HA VAL 72 5.337 -5.867 6.416 589 HB VAL 72 HB VAL 72 4.566 -8.140 7.224 590 1HG1 VAL 72 1HG1 VAL 72 4.613 -6.235 8.707 591 2HG1 VAL 72 2HG1 VAL 72 3.188 -7.217 9.041 592 3HG1 VAL 72 3HG1 VAL 72 3.030 -5.711 8.135 593 1HG2 VAL 72 1HG2 VAL 72 1.872 -7.124 6.312 594 2HG2 VAL 72 2HG2 VAL 72 2.161 -8.562 7.293 595 3HG2 VAL 72 3HG2 VAL 72 2.753 -8.494 5.633 596 HA PRO 73 HA PRO 73 6.536 -7.628 2.506 597 1HB PRO 73 2HB PRO 73 9.149 -8.034 3.157 598 2HB PRO 73 1HB PRO 73 8.499 -6.461 2.684 599 1HG PRO 73 2HG PRO 73 9.078 -7.527 5.419 600 2HG PRO 73 1HG PRO 73 9.370 -5.907 4.763 601 1HD PRO 73 2HD PRO 73 7.264 -6.485 6.367 602 2HD PRO 73 1HD PRO 73 7.193 -5.242 5.099 603 H LEU 74 H LEU 74 7.336 -9.646 1.723 604 HA LEU 74 HA LEU 74 6.695 -11.897 3.366 605 1HB LEU 74 2HB LEU 74 7.928 -11.675 0.624 606 2HB LEU 74 1HB LEU 74 7.511 -13.194 1.383 607 HG LEU 74 HG LEU 74 5.579 -11.005 0.633 608 1HD1 LEU 74 1HD1 LEU 74 6.496 -12.267 -1.269 609 2HD1 LEU 74 2HD1 LEU 74 4.774 -12.562 -1.030 610 3HD1 LEU 74 3HD1 LEU 74 5.955 -13.766 -0.513 611 1HD2 LEU 74 1HD2 LEU 74 4.873 -12.175 2.654 612 2HD2 LEU 74 2HD2 LEU 74 5.068 -13.724 1.834 613 3HD2 LEU 74 3HD2 LEU 74 3.837 -12.584 1.289 614 H ASP 75 H ASP 75 9.310 -9.986 3.466 615 HA ASP 75 HA ASP 75 11.168 -12.178 4.080 616 1HB ASP 75 2HB ASP 75 12.038 -10.639 2.385 617 2HB ASP 75 1HB ASP 75 11.766 -9.271 3.460 Start of MODEL 10 1 HA MET 1 HA MET 1 12.332 2.000 -23.492 2 1HB MET 1 2HB MET 1 11.618 1.966 -20.550 3 2HB MET 1 1HB MET 1 13.236 2.157 -21.198 4 1HG MET 1 2HG MET 1 12.550 4.304 -20.608 5 2HG MET 1 1HG MET 1 12.364 4.232 -22.362 6 1HE MET 1 1HE MET 1 9.407 6.561 -21.305 7 2HE MET 1 2HE MET 1 10.856 6.385 -22.299 8 3HE MET 1 3HE MET 1 10.997 6.478 -20.547 9 H SER 2 H SER 2 10.227 -0.229 -21.813 10 HA SER 2 HA SER 2 10.372 -2.421 -21.260 11 1HB SER 2 2HB SER 2 12.839 -2.507 -23.022 12 2HB SER 2 1HB SER 2 11.884 -3.887 -22.480 13 HG SER 2 HG SER 2 11.186 -1.863 -24.324 14 H ALA 3 H ALA 3 11.529 -0.394 -19.669 15 HA ALA 3 HA ALA 3 13.748 -1.835 -18.375 16 1HB ALA 3 1HB ALA 3 14.495 0.262 -19.428 17 2HB ALA 3 2HB ALA 3 14.663 0.304 -17.673 18 3HB ALA 3 3HB ALA 3 13.327 1.154 -18.453 19 H LEU 4 H LEU 4 13.340 -2.481 -16.380 20 HA LEU 4 HA LEU 4 11.672 -0.904 -14.624 21 1HB LEU 4 2HB LEU 4 10.392 -3.057 -13.990 22 2HB LEU 4 1HB LEU 4 9.885 -2.145 -15.396 23 HG LEU 4 HG LEU 4 11.237 -3.788 -16.791 24 1HD1 LEU 4 1HD1 LEU 4 11.690 -5.962 -15.820 25 2HD1 LEU 4 2HD1 LEU 4 11.149 -5.390 -14.241 26 3HD1 LEU 4 3HD1 LEU 4 12.599 -4.706 -14.979 27 1HD2 LEU 4 1HD2 LEU 4 9.455 -5.461 -16.757 28 2HD2 LEU 4 2HD2 LEU 4 8.808 -3.822 -16.683 29 3HD2 LEU 4 3HD2 LEU 4 8.873 -4.810 -15.223 30 H GLN 5 H GLN 5 11.462 -2.384 -12.451 31 HA GLN 5 HA GLN 5 13.956 -3.747 -11.899 32 1HB GLN 5 2HB GLN 5 14.596 -1.412 -11.595 33 2HB GLN 5 1HB GLN 5 13.223 -1.154 -10.528 34 1HG GLN 5 2HG GLN 5 14.176 -2.673 -8.896 35 2HG GLN 5 1HG GLN 5 15.529 -3.005 -9.975 36 1HE2 GLN 5 1HE2 GLN 5 17.141 -1.500 -10.209 37 2HE2 GLN 5 2HE2 GLN 5 17.297 -0.122 -9.178 38 HA PRO 6 HA PRO 6 10.507 -5.319 -9.361 39 1HB PRO 6 2HB PRO 6 10.501 -7.838 -10.246 40 2HB PRO 6 1HB PRO 6 9.792 -6.534 -11.207 41 1HG PRO 6 2HG PRO 6 12.377 -7.961 -11.566 42 2HG PRO 6 1HG PRO 6 11.288 -7.282 -12.785 43 1HD PRO 6 2HD PRO 6 13.635 -6.092 -11.758 44 2HD PRO 6 1HD PRO 6 12.413 -5.316 -12.785 45 H SER 7 H SER 7 10.483 -7.157 -7.796 46 HA SER 7 HA SER 7 12.992 -8.415 -7.183 47 1HB SER 7 2HB SER 7 13.166 -6.156 -6.116 48 2HB SER 7 1HB SER 7 11.760 -6.559 -5.135 49 HG SER 7 HG SER 7 14.185 -8.051 -5.188 50 H ARG 8 H ARG 8 10.298 -7.656 -4.957 51 HA ARG 8 HA ARG 8 9.446 -10.438 -5.082 52 1HB ARG 8 2HB ARG 8 10.504 -9.128 -2.572 53 2HB ARG 8 1HB ARG 8 9.671 -10.672 -2.625 54 1HG ARG 8 2HG ARG 8 11.425 -11.589 -4.033 55 2HG ARG 8 1HG ARG 8 12.256 -10.038 -4.011 56 1HD ARG 8 2HD ARG 8 12.397 -10.267 -1.510 57 2HD ARG 8 1HD ARG 8 11.793 -11.916 -1.704 58 HE ARG 8 HE ARG 8 14.393 -10.884 -2.614 59 1HH1 ARG 8 1HH1 ARG 8 12.224 -13.587 -2.082 60 2HH1 ARG 8 2HH1 ARG 8 13.438 -14.785 -2.398 61 1HH2 ARG 8 1HH2 ARG 8 15.982 -12.450 -3.025 62 2HH2 ARG 8 2HH2 ARG 8 15.576 -14.134 -2.943 63 H SER 9 H SER 9 7.804 -10.627 -3.040 64 HA SER 9 HA SER 9 5.797 -8.584 -3.653 65 1HB SER 9 2HB SER 9 5.416 -11.311 -2.399 66 2HB SER 9 1HB SER 9 4.142 -10.230 -2.967 67 HG SER 9 HG SER 9 6.042 -11.684 -4.471 68 H TYR 10 H TYR 10 4.697 -7.483 -2.081 69 HA TYR 10 HA TYR 10 5.649 -7.799 0.701 70 1HB TYR 10 2HB TYR 10 4.660 -5.232 -0.568 71 2HB TYR 10 1HB TYR 10 5.393 -5.419 1.020 72 HD1 TYR 10 1HD TYR 10 6.013 -5.175 -2.579 73 HD2 TYR 10 2HD TYR 10 7.810 -5.671 1.249 74 HE1 TYR 10 1HE TYR 10 8.210 -4.648 -3.549 75 HE2 TYR 10 2HE TYR 10 10.011 -5.149 0.285 76 HH TYR 10 HH TYR 10 11.128 -5.187 -1.909 77 H ARG 11 H ARG 11 4.041 -8.249 2.139 78 HA ARG 11 HA ARG 11 1.294 -8.167 1.151 79 1HB ARG 11 2HB ARG 11 2.480 -9.338 3.659 80 2HB ARG 11 1HB ARG 11 0.757 -9.304 3.332 81 1HG ARG 11 2HG ARG 11 1.173 -10.606 1.267 82 2HG ARG 11 1HG ARG 11 2.869 -10.740 1.741 83 1HD ARG 11 2HD ARG 11 2.262 -11.911 3.755 84 2HD ARG 11 1HD ARG 11 0.547 -11.670 3.424 85 HE ARG 11 HE ARG 11 1.747 -13.034 1.262 86 1HH1 ARG 11 1HH1 ARG 11 0.697 -13.519 4.568 87 2HH1 ARG 11 2HH1 ARG 11 0.496 -15.236 4.387 88 1HH2 ARG 11 1HH2 ARG 11 1.470 -15.282 1.019 89 2HH2 ARG 11 2HH2 ARG 11 0.941 -16.246 2.364 90 H ILE 12 H ILE 12 -0.409 -7.236 2.415 91 HA ILE 12 HA ILE 12 0.495 -4.800 3.806 92 HB ILE 12 HB ILE 12 -2.239 -5.328 2.628 93 1HG1 ILE 12 2HG1 ILE 12 0.036 -3.716 1.449 94 2HG1 ILE 12 1HG1 ILE 12 -0.479 -5.297 0.873 95 1HG2 ILE 12 1HG2 ILE 12 -2.519 -2.899 2.843 96 2HG2 ILE 12 2HG2 ILE 12 -0.932 -2.790 3.603 97 3HG2 ILE 12 3HG2 ILE 12 -2.234 -3.672 4.400 98 1HD1 ILE 12 1HD1 ILE 12 -2.123 -2.777 0.853 99 2HD1 ILE 12 2HD1 ILE 12 -2.669 -4.364 0.304 100 3HD1 ILE 12 3HD1 ILE 12 -1.355 -3.542 -0.541 101 H THR 13 H THR 13 0.462 -5.042 5.956 102 HA THR 13 HA THR 13 -1.318 -6.933 7.210 103 HB THR 13 HB THR 13 -0.281 -5.860 9.341 104 HG1 THR 13 1HG THR 13 1.660 -4.769 8.957 105 1HG2 THR 13 1HG2 THR 13 1.409 -7.396 7.360 106 2HG2 THR 13 2HG2 THR 13 0.287 -8.088 8.531 107 3HG2 THR 13 3HG2 THR 13 1.737 -7.254 9.087 108 H GLY 14 H GLY 14 -1.310 -3.548 6.487 109 1HA GLY 14 2HA GLY 14 -3.960 -3.125 6.834 110 2HA GLY 14 1HA GLY 14 -3.318 -2.905 8.457 111 H TYR 15 H TYR 15 -3.664 -0.753 8.654 112 HA TYR 15 HA TYR 15 -2.230 0.979 6.759 113 1HB TYR 15 2HB TYR 15 -4.733 1.760 8.252 114 2HB TYR 15 1HB TYR 15 -3.952 2.625 6.936 115 HD1 TYR 15 1HD TYR 15 -4.258 1.907 4.625 116 HD2 TYR 15 2HD TYR 15 -6.173 -0.134 7.825 117 HE1 TYR 15 1HE TYR 15 -5.773 0.820 3.020 118 HE2 TYR 15 2HE TYR 15 -7.686 -1.229 6.230 119 HH TYR 15 HH TYR 15 -7.205 -1.048 2.805 120 H SER 16 H SER 16 -1.353 2.916 7.714 121 HA SER 16 HA SER 16 -0.309 2.741 10.291 122 1HB SER 16 2HB SER 16 -0.883 5.239 8.678 123 2HB SER 16 1HB SER 16 0.278 5.079 9.985 124 HG SER 16 HG SER 16 1.150 4.919 7.793 125 HA PRO 17 HA PRO 17 -3.706 3.175 12.986 126 1HB PRO 17 2HB PRO 17 -1.879 4.993 14.498 127 2HB PRO 17 1HB PRO 17 -2.842 3.627 15.076 128 1HG PRO 17 2HG PRO 17 -0.239 3.342 14.690 129 2HG PRO 17 1HG PRO 17 -1.363 2.054 14.215 130 1HD PRO 17 2HD PRO 17 0.089 4.023 12.510 131 2HD PRO 17 1HD PRO 17 -0.338 2.334 12.174 132 H ALA 18 H ALA 18 -2.134 6.141 11.890 133 HA ALA 18 HA ALA 18 -4.278 7.794 12.941 134 1HB ALA 18 1HB ALA 18 -2.968 9.673 12.197 135 2HB ALA 18 2HB ALA 18 -1.872 8.600 11.326 136 3HB ALA 18 3HB ALA 18 -1.948 8.542 13.087 137 H ILE 19 H ILE 19 -4.330 5.891 10.350 138 HA ILE 19 HA ILE 19 -5.229 7.799 8.391 139 HB ILE 19 HB ILE 19 -4.232 5.676 7.670 140 1HG1 ILE 19 2HG1 ILE 19 -7.125 5.928 6.818 141 2HG1 ILE 19 1HG1 ILE 19 -5.804 6.917 6.204 142 1HG2 ILE 19 1HG2 ILE 19 -6.709 4.409 8.826 143 2HG2 ILE 19 2HG2 ILE 19 -5.054 4.190 9.391 144 3HG2 ILE 19 3HG2 ILE 19 -5.532 3.586 7.805 145 1HD1 ILE 19 1HD1 ILE 19 -4.740 4.916 5.299 146 2HD1 ILE 19 2HD1 ILE 19 -6.360 5.159 4.647 147 3HD1 ILE 19 3HD1 ILE 19 -6.083 3.940 5.891 148 H SER 20 H SER 20 -7.104 8.797 8.434 149 HA SER 20 HA SER 20 -9.560 7.570 9.243 150 1HB SER 20 2HB SER 20 -8.307 9.566 11.147 151 2HB SER 20 1HB SER 20 -9.966 8.981 11.244 152 HG SER 20 HG SER 20 -8.110 6.960 11.131 153 H ASN 21 H ASN 21 -10.487 8.406 7.469 154 HA ASN 21 HA ASN 21 -11.745 10.844 7.512 155 1HB ASN 21 2HB ASN 21 -9.235 11.580 7.148 156 2HB ASN 21 1HB ASN 21 -9.546 11.097 5.480 157 1HD2 ASN 21 1HD2 ASN 21 -10.967 12.295 4.232 158 2HD2 ASN 21 2HD2 ASN 21 -11.537 13.855 4.716 159 H GLY 22 H GLY 22 -12.167 8.144 6.825 160 1HA GLY 22 2HA GLY 22 -13.209 6.861 5.229 161 2HA GLY 22 1HA GLY 22 -13.344 8.308 4.238 162 H TYR 23 H TYR 23 -10.167 8.062 5.021 163 HA TYR 23 HA TYR 23 -9.367 7.595 2.389 164 1HB TYR 23 2HB TYR 23 -8.137 8.726 4.430 165 2HB TYR 23 1HB TYR 23 -7.459 7.116 4.651 166 HD1 TYR 23 1HD TYR 23 -7.830 9.869 2.198 167 HD2 TYR 23 2HD TYR 23 -5.647 6.384 3.289 168 HE1 TYR 23 1HE TYR 23 -6.158 10.385 0.473 169 HE2 TYR 23 2HE TYR 23 -3.964 6.893 1.564 170 HH TYR 23 HH TYR 23 -3.664 8.151 -0.440 171 H ARG 24 H ARG 24 -9.712 5.408 5.104 172 HA ARG 24 HA ARG 24 -8.411 3.168 4.043 173 1HB ARG 24 2HB ARG 24 -10.632 3.569 6.027 174 2HB ARG 24 1HB ARG 24 -10.147 1.964 5.539 175 1HG ARG 24 2HG ARG 24 -7.848 2.463 6.300 176 2HG ARG 24 1HG ARG 24 -8.430 4.023 6.889 177 1HD ARG 24 2HD ARG 24 -8.295 2.221 8.629 178 2HD ARG 24 1HD ARG 24 -9.881 2.976 8.464 179 HE ARG 24 HE ARG 24 -10.413 0.964 7.012 180 1HH1 ARG 24 1HH1 ARG 24 -8.202 0.852 9.739 181 2HH1 ARG 24 2HH1 ARG 24 -8.405 -0.857 9.977 182 1HH2 ARG 24 1HH2 ARG 24 -10.681 -1.262 7.343 183 2HH2 ARG 24 2HH2 ARG 24 -9.791 -2.066 8.605 184 H GLN 25 H GLN 25 -11.724 4.350 3.719 185 HA GLN 25 HA GLN 25 -12.705 2.113 2.309 186 1HB GLN 25 2HB GLN 25 -13.666 4.968 2.442 187 2HB GLN 25 1HB GLN 25 -14.576 3.644 1.743 188 1HG GLN 25 2HG GLN 25 -14.832 2.585 3.844 189 2HG GLN 25 1HG GLN 25 -13.647 3.651 4.594 190 1HE2 GLN 25 1HE2 GLN 25 -14.718 6.000 3.206 191 2HE2 GLN 25 2HE2 GLN 25 -16.167 6.415 4.060 192 H ARG 26 H ARG 26 -11.209 5.142 1.376 193 HA ARG 26 HA ARG 26 -11.574 4.918 -1.406 194 1HB ARG 26 2HB ARG 26 -10.752 6.955 -0.118 195 2HB ARG 26 1HB ARG 26 -9.178 6.168 -0.057 196 1HG ARG 26 2HG ARG 26 -9.221 7.734 -1.878 197 2HG ARG 26 1HG ARG 26 -9.165 6.089 -2.528 198 1HD ARG 26 2HD ARG 26 -11.735 6.273 -2.577 199 2HD ARG 26 1HD ARG 26 -11.461 8.007 -2.431 200 HE ARG 26 HE ARG 26 -9.904 6.940 -4.536 201 1HH1 ARG 26 1HH1 ARG 26 -13.169 7.849 -3.681 202 2HH1 ARG 26 2HH1 ARG 26 -13.682 8.052 -5.330 203 1HH2 ARG 26 1HH2 ARG 26 -10.561 7.172 -6.695 204 2HH2 ARG 26 2HH2 ARG 26 -12.195 7.657 -7.051 205 H LEU 27 H LEU 27 -9.047 3.793 0.771 206 HA LEU 27 HA LEU 27 -7.393 2.683 -1.260 207 1HB LEU 27 2HB LEU 27 -7.531 2.226 1.719 208 2HB LEU 27 1HB LEU 27 -6.294 1.531 0.692 209 HG LEU 27 HG LEU 27 -6.768 4.482 1.123 210 1HD1 LEU 27 1HD1 LEU 27 -5.828 3.440 3.087 211 2HD1 LEU 27 2HD1 LEU 27 -4.602 4.412 2.276 212 3HD1 LEU 27 3HD1 LEU 27 -4.588 2.657 2.111 213 1HD2 LEU 27 1HD2 LEU 27 -4.609 3.063 -0.427 214 2HD2 LEU 27 2HD2 LEU 27 -4.710 4.801 -0.137 215 3HD2 LEU 27 3HD2 LEU 27 -5.937 3.998 -1.117 216 H PHE 28 H PHE 28 -9.911 1.404 0.851 217 HA PHE 28 HA PHE 28 -9.758 -1.288 0.196 218 1HB PHE 28 2HB PHE 28 -11.614 0.552 1.448 219 2HB PHE 28 1HB PHE 28 -12.452 -0.681 0.538 220 HD1 PHE 28 1HD PHE 28 -11.931 -3.115 1.056 221 HD2 PHE 28 2HD PHE 28 -10.713 0.118 3.541 222 HE1 PHE 28 1HE PHE 28 -11.632 -4.676 2.932 223 HE2 PHE 28 2HE PHE 28 -10.406 -1.438 5.422 224 HZ PHE 28 HZ PHE 28 -10.865 -3.840 5.116 225 H SER 29 H SER 29 -11.410 1.397 -1.394 226 HA SER 29 HA SER 29 -12.758 -0.141 -3.356 227 1HB SER 29 2HB SER 29 -11.922 2.767 -3.401 228 2HB SER 29 1HB SER 29 -13.093 2.024 -4.486 229 HG SER 29 HG SER 29 -13.305 2.283 -1.659 230 H MET 30 H MET 30 -9.586 1.328 -3.179 231 HA MET 30 HA MET 30 -8.914 0.903 -5.920 232 1HB MET 30 2HB MET 30 -7.219 1.470 -3.490 233 2HB MET 30 1HB MET 30 -6.569 1.337 -5.114 234 1HG MET 30 2HG MET 30 -8.700 3.313 -4.354 235 2HG MET 30 1HG MET 30 -6.978 3.665 -4.276 236 1HE MET 30 1HE MET 30 -10.122 3.309 -6.500 237 2HE MET 30 2HE MET 30 -9.320 1.801 -6.949 238 3HE MET 30 3HE MET 30 -9.464 3.112 -8.122 239 H GLY 31 H GLY 31 -8.918 -1.051 -3.089 240 1HA GLY 31 2HA GLY 31 -8.888 -3.451 -3.392 241 2HA GLY 31 1HA GLY 31 -7.675 -3.227 -4.645 242 H LEU 32 H LEU 32 -7.213 -1.225 -1.954 243 HA LEU 32 HA LEU 32 -4.982 -2.924 -1.094 244 1HB LEU 32 2HB LEU 32 -5.482 0.005 -0.552 245 2HB LEU 32 1HB LEU 32 -4.046 -0.894 -0.105 246 HG LEU 32 HG LEU 32 -4.943 -0.342 -2.935 247 1HD1 LEU 32 1HD1 LEU 32 -4.181 1.675 -1.819 248 2HD1 LEU 32 2HD1 LEU 32 -3.001 1.145 -3.020 249 3HD1 LEU 32 3HD1 LEU 32 -2.709 0.852 -1.305 250 1HD2 LEU 32 1HD2 LEU 32 -2.431 -1.633 -1.872 251 2HD2 LEU 32 2HD2 LEU 32 -2.748 -1.230 -3.560 252 3HD2 LEU 32 3HD2 LEU 32 -3.731 -2.448 -2.746 253 H LEU 33 H LEU 33 -5.894 -4.306 0.367 254 HA LEU 33 HA LEU 33 -7.045 -3.080 2.767 255 1HB LEU 33 2HB LEU 33 -8.660 -4.873 2.940 256 2HB LEU 33 1HB LEU 33 -8.860 -4.032 1.420 257 HG LEU 33 HG LEU 33 -7.292 -6.591 1.562 258 1HD1 LEU 33 1HD1 LEU 33 -9.473 -7.015 2.602 259 2HD1 LEU 33 2HD1 LEU 33 -9.326 -7.818 1.039 260 3HD1 LEU 33 3HD1 LEU 33 -10.276 -6.337 1.185 261 1HD2 LEU 33 1HD2 LEU 33 -7.149 -5.258 -0.483 262 2HD2 LEU 33 2HD2 LEU 33 -8.906 -5.284 -0.626 263 3HD2 LEU 33 3HD2 LEU 33 -7.985 -6.783 -0.763 264 HA PRO 34 HA PRO 34 -4.173 -5.516 5.088 265 1HB PRO 34 2HB PRO 34 -6.371 -6.210 6.942 266 2HB PRO 34 1HB PRO 34 -4.858 -5.357 7.260 267 1HG PRO 34 2HG PRO 34 -7.196 -4.057 7.221 268 2HG PRO 34 1HG PRO 34 -5.713 -3.313 6.595 269 1HD PRO 34 2HD PRO 34 -7.986 -4.563 5.101 270 2HD PRO 34 1HD PRO 34 -7.061 -3.092 4.725 271 H GLY 35 H GLY 35 -3.492 -7.454 4.443 272 1HA GLY 35 2HA GLY 35 -3.788 -9.881 4.720 273 2HA GLY 35 1HA GLY 35 -5.474 -9.644 4.281 274 H ALA 36 H ALA 36 -4.029 -7.560 2.324 275 HA ALA 36 HA ALA 36 -3.902 -9.466 0.131 276 1HB ALA 36 1HB ALA 36 -3.919 -6.449 0.114 277 2HB ALA 36 2HB ALA 36 -5.309 -7.495 -0.171 278 3HB ALA 36 3HB ALA 36 -3.964 -7.486 -1.311 279 H ALA 37 H ALA 37 -2.259 -8.249 -1.589 280 HA ALA 37 HA ALA 37 0.324 -7.768 -0.404 281 1HB ALA 37 1HB ALA 37 1.438 -9.683 -1.414 282 2HB ALA 37 2HB ALA 37 -0.102 -10.269 -2.043 283 3HB ALA 37 3HB ALA 37 0.179 -10.219 -0.301 284 H LEU 38 H LEU 38 1.814 -6.928 -1.846 285 HA LEU 38 HA LEU 38 0.863 -6.436 -4.603 286 1HB LEU 38 2HB LEU 38 2.529 -4.533 -2.958 287 2HB LEU 38 1HB LEU 38 1.804 -4.230 -4.520 288 HG LEU 38 HG LEU 38 0.236 -4.645 -1.974 289 1HD1 LEU 38 1HD1 LEU 38 0.877 -2.084 -3.431 290 2HD1 LEU 38 2HD1 LEU 38 1.580 -2.593 -1.897 291 3HD1 LEU 38 3HD1 LEU 38 -0.145 -2.248 -2.003 292 1HD2 LEU 38 1HD2 LEU 38 -1.630 -3.755 -3.296 293 2HD2 LEU 38 2HD2 LEU 38 -0.998 -5.255 -3.977 294 3HD2 LEU 38 3HD2 LEU 38 -0.590 -3.709 -4.721 295 H ARG 39 H ARG 39 2.306 -6.934 -6.146 296 HA ARG 39 HA ARG 39 4.962 -7.836 -5.281 297 1HB ARG 39 2HB ARG 39 3.383 -9.267 -6.735 298 2HB ARG 39 1HB ARG 39 3.810 -8.175 -8.045 299 1HG ARG 39 2HG ARG 39 6.205 -8.749 -7.654 300 2HG ARG 39 1HG ARG 39 5.667 -9.963 -6.490 301 1HD ARG 39 2HD ARG 39 5.984 -11.130 -8.507 302 2HD ARG 39 1HD ARG 39 4.242 -10.909 -8.365 303 HE ARG 39 HE ARG 39 5.693 -8.912 -9.909 304 1HH1 ARG 39 1HH1 ARG 39 3.683 -11.786 -9.943 305 2HH1 ARG 39 2HH1 ARG 39 3.283 -11.631 -11.622 306 1HH2 ARG 39 1HH2 ARG 39 5.164 -8.724 -12.112 307 2HH2 ARG 39 2HH2 ARG 39 4.121 -9.906 -12.856 308 H VAL 40 H VAL 40 6.716 -6.607 -5.679 309 HA VAL 40 HA VAL 40 6.323 -4.000 -6.742 310 HB VAL 40 HB VAL 40 7.955 -4.542 -4.925 311 1HG1 VAL 40 1HG1 VAL 40 10.188 -5.320 -5.536 312 2HG1 VAL 40 2HG1 VAL 40 9.616 -5.640 -7.174 313 3HG1 VAL 40 3HG1 VAL 40 8.950 -6.545 -5.815 314 1HG2 VAL 40 1HG2 VAL 40 9.037 -3.094 -7.335 315 2HG2 VAL 40 2HG2 VAL 40 9.669 -2.954 -5.693 316 3HG2 VAL 40 3HG2 VAL 40 8.032 -2.405 -6.059 317 H VAL 41 H VAL 41 6.442 -3.291 -8.724 318 HA VAL 41 HA VAL 41 7.564 -4.992 -10.824 319 HB VAL 41 HB VAL 41 5.909 -2.468 -11.054 320 1HG1 VAL 41 1HG1 VAL 41 7.382 -2.808 -12.981 321 2HG1 VAL 41 2HG1 VAL 41 5.690 -3.048 -13.417 322 3HG1 VAL 41 3HG1 VAL 41 6.748 -4.440 -13.181 323 1HG2 VAL 41 1HG2 VAL 41 4.102 -3.970 -11.749 324 2HG2 VAL 41 2HG2 VAL 41 4.637 -4.314 -10.106 325 3HG2 VAL 41 3HG2 VAL 41 5.139 -5.361 -11.433 326 H ARG 42 H ARG 42 7.772 -1.654 -9.572 327 HA ARG 42 HA ARG 42 10.593 -1.600 -10.059 328 1HB ARG 42 2HB ARG 42 9.759 -1.141 -12.345 329 2HB ARG 42 1HB ARG 42 8.888 0.260 -11.728 330 1HG ARG 42 2HG ARG 42 11.015 1.258 -11.027 331 2HG ARG 42 1HG ARG 42 11.874 -0.131 -11.694 332 1HD ARG 42 2HD ARG 42 10.907 0.410 -13.916 333 2HD ARG 42 1HD ARG 42 10.198 1.863 -13.210 334 HE ARG 42 HE ARG 42 12.969 1.799 -12.675 335 1HH1 ARG 42 1HH1 ARG 42 10.699 2.362 -15.296 336 2HH1 ARG 42 2HH1 ARG 42 11.806 3.361 -16.197 337 1HH2 ARG 42 1HH2 ARG 42 14.418 3.056 -13.884 338 2HH2 ARG 42 2HH2 ARG 42 13.931 3.725 -15.412 339 H ILE 43 H ILE 43 11.558 -0.257 -8.676 340 HA ILE 43 HA ILE 43 9.951 1.637 -7.150 341 HB ILE 43 HB ILE 43 12.902 0.980 -6.877 342 1HG1 ILE 43 2HG1 ILE 43 11.969 -0.068 -4.658 343 2HG1 ILE 43 1HG1 ILE 43 10.451 -0.144 -5.551 344 1HG2 ILE 43 1HG2 ILE 43 11.064 2.531 -5.054 345 2HG2 ILE 43 2HG2 ILE 43 12.357 3.200 -6.050 346 3HG2 ILE 43 3HG2 ILE 43 12.746 2.118 -4.714 347 1HD1 ILE 43 1HD1 ILE 43 13.055 -1.426 -6.367 348 2HD1 ILE 43 2HD1 ILE 43 11.543 -1.496 -7.269 349 3HD1 ILE 43 3HD1 ILE 43 11.653 -2.249 -5.681 350 H ALA 44 H ALA 44 9.943 3.789 -7.567 351 HA ALA 44 HA ALA 44 11.127 4.799 -9.922 352 1HB ALA 44 1HB ALA 44 10.319 6.986 -9.182 353 2HB ALA 44 2HB ALA 44 9.984 6.324 -7.582 354 3HB ALA 44 3HB ALA 44 9.077 5.749 -8.981 355 HA PRO 45 HA PRO 45 15.295 5.428 -8.605 356 1HB PRO 45 2HB PRO 45 15.241 7.626 -10.605 357 2HB PRO 45 1HB PRO 45 16.333 6.243 -10.480 358 1HG PRO 45 2HG PRO 45 14.445 6.306 -12.349 359 2HG PRO 45 1HG PRO 45 14.830 4.796 -11.499 360 1HD PRO 45 2HD PRO 45 12.524 6.661 -11.102 361 2HD PRO 45 1HD PRO 45 12.557 4.886 -11.074 362 H LEU 46 H LEU 46 12.900 7.918 -8.549 363 HA LEU 46 HA LEU 46 14.652 9.861 -7.292 364 1HB LEU 46 2HB LEU 46 11.715 9.960 -7.985 365 2HB LEU 46 1HB LEU 46 12.577 11.272 -7.208 366 HG LEU 46 HG LEU 46 12.421 11.862 -9.483 367 1HD1 LEU 46 1HD1 LEU 46 14.594 12.327 -8.591 368 2HD1 LEU 46 2HD1 LEU 46 14.757 11.832 -10.276 369 3HD1 LEU 46 3HD1 LEU 46 15.150 10.700 -8.983 370 1HD2 LEU 46 1HD2 LEU 46 13.123 10.402 -11.329 371 2HD2 LEU 46 2HD2 LEU 46 11.783 9.717 -10.411 372 3HD2 LEU 46 3HD2 LEU 46 13.417 9.102 -10.175 373 H GLY 47 H GLY 47 12.544 7.349 -6.323 374 1HA GLY 47 2HA GLY 47 12.305 6.670 -4.046 375 2HA GLY 47 1HA GLY 47 12.580 8.336 -3.549 376 H ASP 48 H ASP 48 10.733 9.014 -5.901 377 HA ASP 48 HA ASP 48 8.267 9.254 -4.577 378 1HB ASP 48 2HB ASP 48 9.316 9.779 -7.286 379 2HB ASP 48 1HB ASP 48 7.587 9.452 -7.217 380 HA PRO 49 HA PRO 49 5.502 5.981 -4.699 381 1HB PRO 49 2HB PRO 49 4.528 6.213 -7.431 382 2HB PRO 49 1HB PRO 49 3.659 6.409 -5.912 383 1HG PRO 49 2HG PRO 49 4.854 8.453 -7.622 384 2HG PRO 49 1HG PRO 49 3.703 8.641 -6.288 385 1HD PRO 49 2HD PRO 49 6.257 9.489 -6.109 386 2HD PRO 49 1HD PRO 49 5.380 8.840 -4.705 387 H ILE 50 H ILE 50 5.217 3.890 -5.269 388 HA ILE 50 HA ILE 50 7.391 2.801 -6.923 389 HB ILE 50 HB ILE 50 6.063 1.536 -4.515 390 1HG1 ILE 50 2HG1 ILE 50 8.814 2.759 -4.800 391 2HG1 ILE 50 1HG1 ILE 50 7.471 3.467 -3.913 392 1HG2 ILE 50 1HG2 ILE 50 6.838 -0.120 -6.117 393 2HG2 ILE 50 2HG2 ILE 50 7.852 -0.134 -4.675 394 3HG2 ILE 50 3HG2 ILE 50 8.430 0.638 -6.150 395 1HD1 ILE 50 1HD1 ILE 50 9.060 2.406 -2.417 396 2HD1 ILE 50 2HD1 ILE 50 8.840 0.871 -3.255 397 3HD1 ILE 50 3HD1 ILE 50 7.499 1.586 -2.361 398 H GLN 51 H GLN 51 6.886 1.380 -8.488 399 HA GLN 51 HA GLN 51 4.092 1.006 -9.107 400 1HB GLN 51 2HB GLN 51 6.616 0.211 -10.562 401 2HB GLN 51 1HB GLN 51 4.994 0.006 -11.192 402 1HG GLN 51 2HG GLN 51 4.698 2.483 -10.996 403 2HG GLN 51 1HG GLN 51 6.408 2.586 -10.584 404 1HE2 GLN 51 1HE2 GLN 51 4.968 3.729 -12.821 405 2HE2 GLN 51 2HE2 GLN 51 5.703 3.112 -14.261 406 H VAL 52 H VAL 52 3.004 -0.656 -8.382 407 HA VAL 52 HA VAL 52 4.355 -3.259 -8.090 408 HB VAL 52 HB VAL 52 2.887 -3.761 -6.165 409 1HG1 VAL 52 1HG1 VAL 52 4.578 -1.295 -5.791 410 2HG1 VAL 52 2HG1 VAL 52 5.156 -2.960 -5.777 411 3HG1 VAL 52 3HG1 VAL 52 4.059 -2.397 -4.515 412 1HG2 VAL 52 1HG2 VAL 52 2.115 -0.850 -6.358 413 2HG2 VAL 52 2HG2 VAL 52 1.689 -1.938 -5.037 414 3HG2 VAL 52 3HG2 VAL 52 1.060 -2.232 -6.657 415 H GLU 53 H GLU 53 2.678 -5.082 -8.027 416 HA GLU 53 HA GLU 53 0.438 -4.452 -9.831 417 1HB GLU 53 2HB GLU 53 2.690 -5.717 -10.701 418 2HB GLU 53 1HB GLU 53 1.719 -7.093 -10.201 419 1HG GLU 53 2HG GLU 53 0.720 -4.963 -12.071 420 2HG GLU 53 1HG GLU 53 1.544 -6.419 -12.618 421 H THR 54 H THR 54 -1.345 -5.857 -9.691 422 HA THR 54 HA THR 54 -1.460 -7.417 -7.194 423 HB THR 54 HB THR 54 -3.942 -6.822 -7.231 424 HG1 THR 54 1HG THR 54 -3.144 -4.591 -8.800 425 1HG2 THR 54 1HG2 THR 54 -2.397 -5.823 -5.632 426 2HG2 THR 54 2HG2 THR 54 -3.578 -4.631 -6.172 427 3HG2 THR 54 3HG2 THR 54 -1.937 -4.602 -6.815 428 H ARG 55 H ARG 55 -3.326 -6.943 -10.176 429 HA ARG 55 HA ARG 55 -3.125 -9.655 -11.034 430 1HB ARG 55 2HB ARG 55 -4.699 -9.768 -9.033 431 2HB ARG 55 1HB ARG 55 -5.832 -8.821 -9.983 432 1HG ARG 55 2HG ARG 55 -5.750 -10.639 -11.711 433 2HG ARG 55 1HG ARG 55 -4.833 -11.598 -10.545 434 1HD ARG 55 2HD ARG 55 -7.145 -12.211 -10.384 435 2HD ARG 55 1HD ARG 55 -6.704 -11.312 -8.932 436 HE ARG 55 HE ARG 55 -8.115 -10.050 -11.200 437 1HH1 ARG 55 1HH1 ARG 55 -7.793 -10.703 -7.768 438 2HH1 ARG 55 2HH1 ARG 55 -9.140 -9.695 -7.329 439 1HH2 ARG 55 1HH2 ARG 55 -9.836 -8.661 -10.611 440 2HH2 ARG 55 2HH2 ARG 55 -10.271 -8.498 -8.931 441 H GLN 56 H GLN 56 -3.090 -6.718 -11.934 442 HA GLN 56 HA GLN 56 -4.785 -7.053 -14.272 443 1HB GLN 56 2HB GLN 56 -5.840 -4.783 -13.909 444 2HB GLN 56 1HB GLN 56 -6.415 -6.080 -12.875 445 1HG GLN 56 2HG GLN 56 -4.954 -5.255 -11.071 446 2HG GLN 56 1HG GLN 56 -4.464 -3.919 -12.111 447 1HE2 GLN 56 1HE2 GLN 56 -5.828 -3.921 -9.526 448 2HE2 GLN 56 2HE2 GLN 56 -7.307 -3.052 -9.763 449 H THR 57 H THR 57 -2.690 -4.742 -12.533 450 HA THR 57 HA THR 57 -0.971 -4.354 -14.722 451 HB THR 57 HB THR 57 -3.026 -3.200 -15.613 452 HG1 THR 57 1HG THR 57 -1.579 -2.113 -16.676 453 1HG2 THR 57 1HG2 THR 57 -3.585 -0.984 -14.718 454 2HG2 THR 57 2HG2 THR 57 -2.440 -1.229 -13.399 455 3HG2 THR 57 3HG2 THR 57 -3.872 -2.252 -13.529 456 H SER 58 H SER 58 0.471 -2.367 -14.317 457 HA SER 58 HA SER 58 1.216 -2.525 -11.536 458 1HB SER 58 2HB SER 58 3.106 -0.948 -12.487 459 2HB SER 58 1HB SER 58 3.104 -2.675 -12.832 460 HG SER 58 HG SER 58 3.125 -0.728 -14.576 461 H LEU 59 H LEU 59 0.823 -1.109 -10.033 462 HA LEU 59 HA LEU 59 -0.182 1.562 -10.789 463 1HB LEU 59 2HB LEU 59 -1.938 0.128 -9.845 464 2HB LEU 59 1HB LEU 59 -0.958 -0.148 -8.421 465 HG LEU 59 HG LEU 59 -1.104 2.302 -7.929 466 1HD1 LEU 59 1HD1 LEU 59 -1.593 3.099 -10.172 467 2HD1 LEU 59 2HD1 LEU 59 -2.858 3.593 -9.046 468 3HD1 LEU 59 3HD1 LEU 59 -3.138 2.248 -10.152 469 1HD2 LEU 59 1HD2 LEU 59 -2.531 0.677 -6.806 470 2HD2 LEU 59 2HD2 LEU 59 -3.712 0.803 -8.109 471 3HD2 LEU 59 3HD2 LEU 59 -3.389 2.195 -7.077 472 H ALA 60 H ALA 60 0.505 3.313 -9.519 473 HA ALA 60 HA ALA 60 2.859 2.730 -7.847 474 1HB ALA 60 1HB ALA 60 3.386 4.016 -9.852 475 2HB ALA 60 2HB ALA 60 3.643 4.982 -8.398 476 3HB ALA 60 3HB ALA 60 2.206 5.239 -9.385 477 H LEU 61 H LEU 61 2.760 3.211 -5.755 478 HA LEU 61 HA LEU 61 0.486 4.820 -4.817 479 1HB LEU 61 2HB LEU 61 0.898 3.763 -2.618 480 2HB LEU 61 1HB LEU 61 0.494 2.613 -3.874 481 HG LEU 61 HG LEU 61 3.205 2.566 -3.981 482 1HD1 LEU 61 1HD1 LEU 61 3.452 4.043 -2.062 483 2HD1 LEU 61 2HD1 LEU 61 4.049 2.426 -1.697 484 3HD1 LEU 61 3HD1 LEU 61 2.479 2.944 -1.083 485 1HD2 LEU 61 1HD2 LEU 61 1.776 0.619 -3.946 486 2HD2 LEU 61 2HD2 LEU 61 1.391 0.900 -2.248 487 3HD2 LEU 61 3HD2 LEU 61 3.032 0.458 -2.717 488 H ARG 62 H ARG 62 0.812 6.661 -3.639 489 HA ARG 62 HA ARG 62 3.347 7.908 -4.172 490 1HB ARG 62 2HB ARG 62 0.892 8.952 -2.752 491 2HB ARG 62 1HB ARG 62 2.307 9.921 -3.119 492 1HG ARG 62 2HG ARG 62 0.708 10.439 -4.752 493 2HG ARG 62 1HG ARG 62 1.882 9.395 -5.552 494 1HD ARG 62 2HD ARG 62 0.378 7.759 -5.884 495 2HD ARG 62 1HD ARG 62 -0.358 7.981 -4.300 496 HE ARG 62 HE ARG 62 -0.931 9.856 -6.498 497 1HH1 ARG 62 1HH1 ARG 62 -1.979 7.654 -3.970 498 2HH1 ARG 62 2HH1 ARG 62 -3.671 7.915 -4.273 499 1HH2 ARG 62 1HH2 ARG 62 -3.172 10.202 -6.905 500 2HH2 ARG 62 2HH2 ARG 62 -4.355 9.353 -5.941 501 H ARG 63 H ARG 63 4.266 9.387 -2.409 502 HA ARG 63 HA ARG 63 5.197 7.868 -0.222 503 1HB ARG 63 2HB ARG 63 5.115 10.876 -0.569 504 2HB ARG 63 1HB ARG 63 6.038 10.033 0.666 505 1HG ARG 63 2HG ARG 63 6.453 9.824 -2.312 506 2HG ARG 63 1HG ARG 63 7.459 10.728 -1.179 507 1HD ARG 63 2HD ARG 63 7.048 7.742 -1.261 508 2HD ARG 63 1HD ARG 63 8.516 8.619 -1.692 509 HE ARG 63 HE ARG 63 7.754 9.205 0.976 510 1HH1 ARG 63 1HH1 ARG 63 9.262 6.736 -0.995 511 2HH1 ARG 63 2HH1 ARG 63 10.103 6.007 0.343 512 1HH2 ARG 63 1HH2 ARG 63 8.858 8.270 2.727 513 2HH2 ARG 63 2HH2 ARG 63 9.875 6.880 2.457 514 H LYS 64 H LYS 64 2.515 10.040 -0.673 515 HA LYS 64 HA LYS 64 1.686 10.341 1.980 516 1HB LYS 64 2HB LYS 64 0.009 10.276 -0.534 517 2HB LYS 64 1HB LYS 64 -0.494 10.930 1.015 518 1HG LYS 64 2HG LYS 64 1.209 12.655 0.867 519 2HG LYS 64 1HG LYS 64 1.773 11.980 -0.662 520 1HD LYS 64 2HD LYS 64 0.315 13.920 -1.011 521 2HD LYS 64 1HD LYS 64 -0.385 12.447 -1.684 522 1HE LYS 64 2HE LYS 64 -2.089 13.732 -0.536 523 2HE LYS 64 1HE LYS 64 -1.792 12.218 0.316 524 1HZ LYS 64 1HZ LYS 64 -0.749 14.897 1.077 525 2HZ LYS 64 2HZ LYS 64 -0.377 13.450 1.879 526 3HZ LYS 64 3HZ LYS 64 -1.973 14.029 1.873 527 H ASP 65 H ASP 65 0.599 8.036 -0.506 528 HA ASP 65 HA ASP 65 -1.181 6.625 1.141 529 1HB ASP 65 2HB ASP 65 0.330 5.563 -1.255 530 2HB ASP 65 1HB ASP 65 -1.157 4.917 -0.579 531 H LEU 66 H LEU 66 2.223 6.147 0.340 532 HA LEU 66 HA LEU 66 2.610 3.693 1.635 533 1HB LEU 66 2HB LEU 66 4.218 4.719 0.069 534 2HB LEU 66 1HB LEU 66 4.583 5.948 1.260 535 HG LEU 66 HG LEU 66 5.472 4.205 2.769 536 1HD1 LEU 66 1HD1 LEU 66 4.159 2.312 1.970 537 2HD1 LEU 66 2HD1 LEU 66 5.885 1.960 1.896 538 3HD1 LEU 66 3HD1 LEU 66 5.005 2.367 0.425 539 1HD2 LEU 66 1HD2 LEU 66 6.689 4.269 0.013 540 2HD2 LEU 66 2HD2 LEU 66 7.510 3.751 1.484 541 3HD2 LEU 66 3HD2 LEU 66 6.983 5.425 1.313 542 H ALA 67 H ALA 67 2.713 7.007 2.858 543 HA ALA 67 HA ALA 67 3.740 6.310 5.423 544 1HB ALA 67 1HB ALA 67 2.220 8.769 4.571 545 2HB ALA 67 2HB ALA 67 3.968 8.555 4.496 546 3HB ALA 67 3HB ALA 67 3.151 8.591 6.058 547 H LEU 68 H LEU 68 0.672 5.989 4.002 548 HA LEU 68 HA LEU 68 -0.615 5.831 6.638 549 1HB LEU 68 2HB LEU 68 -1.791 6.225 3.893 550 2HB LEU 68 1HB LEU 68 -2.754 5.940 5.331 551 HG LEU 68 HG LEU 68 -0.894 8.287 4.941 552 1HD1 LEU 68 1HD1 LEU 68 -2.959 9.610 4.785 553 2HD1 LEU 68 2HD1 LEU 68 -3.898 8.117 4.789 554 3HD1 LEU 68 3HD1 LEU 68 -2.795 8.462 3.457 555 1HD2 LEU 68 1HD2 LEU 68 -2.876 7.647 7.123 556 2HD2 LEU 68 2HD2 LEU 68 -1.984 9.162 6.961 557 3HD2 LEU 68 3HD2 LEU 68 -1.118 7.655 7.276 558 H LEU 69 H LEU 69 0.778 3.885 4.380 559 HA LEU 69 HA LEU 69 -1.072 1.654 4.921 560 1HB LEU 69 2HB LEU 69 0.869 2.127 2.667 561 2HB LEU 69 1HB LEU 69 0.136 0.564 2.969 562 HG LEU 69 HG LEU 69 -1.415 3.080 2.358 563 1HD1 LEU 69 1HD1 LEU 69 -0.056 2.393 0.448 564 2HD1 LEU 69 2HD1 LEU 69 -1.769 2.096 0.148 565 3HD1 LEU 69 3HD1 LEU 69 -0.703 0.757 0.569 566 1HD2 LEU 69 1HD2 LEU 69 -3.291 1.570 2.058 567 2HD2 LEU 69 2HD2 LEU 69 -2.627 1.402 3.683 568 3HD2 LEU 69 3HD2 LEU 69 -2.266 0.189 2.454 569 H THR 70 H THR 70 -0.371 -0.084 6.041 570 HA THR 70 HA THR 70 2.495 -0.180 6.695 571 HB THR 70 HB THR 70 0.235 -1.584 8.098 572 HG1 THR 70 1HG THR 70 0.636 0.927 8.165 573 1HG2 THR 70 1HG2 THR 70 3.113 -1.170 8.903 574 2HG2 THR 70 2HG2 THR 70 2.413 -2.686 8.340 575 3HG2 THR 70 3HG2 THR 70 1.878 -1.982 9.866 576 H LEU 71 H LEU 71 3.646 -1.599 5.630 577 HA LEU 71 HA LEU 71 2.348 -4.042 4.641 578 1HB LEU 71 2HB LEU 71 4.405 -2.361 3.195 579 2HB LEU 71 1HB LEU 71 3.890 -3.951 2.677 580 HG LEU 71 HG LEU 71 1.514 -2.881 2.610 581 1HD1 LEU 71 1HD1 LEU 71 3.274 -0.442 2.424 582 2HD1 LEU 71 2HD1 LEU 71 2.084 -0.784 3.680 583 3HD1 LEU 71 3HD1 LEU 71 1.558 -0.500 2.020 584 1HD2 LEU 71 1HD2 LEU 71 3.643 -2.213 0.580 585 2HD2 LEU 71 2HD2 LEU 71 1.902 -2.185 0.296 586 3HD2 LEU 71 3HD2 LEU 71 2.711 -3.708 0.663 587 H VAL 72 H VAL 72 3.619 -5.896 4.559 588 HA VAL 72 HA VAL 72 6.307 -5.709 5.721 589 HB VAL 72 HB VAL 72 5.912 -7.912 6.851 590 1HG1 VAL 72 1HG1 VAL 72 5.882 -5.869 8.139 591 2HG1 VAL 72 2HG1 VAL 72 4.652 -6.978 8.747 592 3HG1 VAL 72 3HG1 VAL 72 4.183 -5.609 7.740 593 1HG2 VAL 72 1HG2 VAL 72 3.992 -8.663 5.562 594 2HG2 VAL 72 2HG2 VAL 72 3.021 -7.338 6.205 595 3HG2 VAL 72 3HG2 VAL 72 3.602 -8.609 7.281 596 HA PRO 73 HA PRO 73 7.150 -7.838 1.900 597 1HB PRO 73 2HB PRO 73 9.793 -8.319 2.419 598 2HB PRO 73 1HB PRO 73 9.182 -6.766 1.841 599 1HG PRO 73 2HG PRO 73 9.886 -7.608 4.624 600 2HG PRO 73 1HG PRO 73 10.215 -6.072 3.800 601 1HD PRO 73 2HD PRO 73 8.197 -6.355 5.569 602 2HD PRO 73 1HD PRO 73 8.081 -5.275 4.164 603 H LEU 74 H LEU 74 7.794 -9.971 1.247 604 HA LEU 74 HA LEU 74 7.105 -12.109 2.854 605 1HB LEU 74 2HB LEU 74 9.096 -12.019 0.586 606 2HB LEU 74 1HB LEU 74 8.428 -13.483 1.270 607 HG LEU 74 HG LEU 74 6.856 -11.342 -0.160 608 1HD1 LEU 74 1HD1 LEU 74 7.593 -14.149 -0.985 609 2HD1 LEU 74 2HD1 LEU 74 8.260 -12.662 -1.659 610 3HD1 LEU 74 3HD1 LEU 74 6.553 -13.045 -1.885 611 1HD2 LEU 74 1HD2 LEU 74 5.538 -12.395 1.592 612 2HD2 LEU 74 2HD2 LEU 74 5.977 -13.991 0.984 613 3HD2 LEU 74 3HD2 LEU 74 4.986 -12.913 0.001 614 H ASP 75 H ASP 75 10.260 -10.616 2.328 615 HA ASP 75 HA ASP 75 12.120 -10.464 3.596 616 1HB ASP 75 2HB ASP 75 10.499 -9.816 5.365 617 2HB ASP 75 1HB ASP 75 10.379 -11.505 5.840 Start of MODEL 11 1 HA MET 1 HA MET 1 10.519 1.603 -22.002 2 1HB MET 1 2HB MET 1 8.220 2.318 -21.503 3 2HB MET 1 1HB MET 1 8.674 2.678 -23.159 4 1HG MET 1 2HG MET 1 6.485 1.918 -23.309 5 2HG MET 1 1HG MET 1 7.458 0.532 -23.789 6 1HE MET 1 1HE MET 1 4.372 -1.079 -21.982 7 2HE MET 1 2HE MET 1 5.304 -1.009 -23.476 8 3HE MET 1 3HE MET 1 4.359 0.390 -22.959 9 H SER 2 H SER 2 9.578 -1.526 -22.656 10 HA SER 2 HA SER 2 8.452 -2.138 -20.080 11 1HB SER 2 2HB SER 2 9.353 -4.032 -22.259 12 2HB SER 2 1HB SER 2 8.288 -4.409 -20.905 13 HG SER 2 HG SER 2 6.698 -3.181 -21.779 14 H ALA 3 H ALA 3 10.351 -1.295 -18.895 15 HA ALA 3 HA ALA 3 12.513 -3.277 -18.721 16 1HB ALA 3 1HB ALA 3 12.325 -0.529 -17.480 17 2HB ALA 3 2HB ALA 3 13.244 -0.951 -18.924 18 3HB ALA 3 3HB ALA 3 13.705 -1.621 -17.359 19 H LEU 4 H LEU 4 11.258 -4.853 -17.739 20 HA LEU 4 HA LEU 4 10.043 -4.203 -15.157 21 1HB LEU 4 2HB LEU 4 8.520 -5.164 -16.760 22 2HB LEU 4 1HB LEU 4 9.615 -6.494 -17.070 23 HG LEU 4 HG LEU 4 9.255 -7.304 -14.757 24 1HD1 LEU 4 1HD1 LEU 4 7.396 -6.389 -13.452 25 2HD1 LEU 4 2HD1 LEU 4 7.197 -5.105 -14.644 26 3HD1 LEU 4 3HD1 LEU 4 8.678 -5.201 -13.689 27 1HD2 LEU 4 1HD2 LEU 4 7.027 -8.182 -15.132 28 2HD2 LEU 4 2HD2 LEU 4 7.937 -8.173 -16.642 29 3HD2 LEU 4 3HD2 LEU 4 6.716 -6.937 -16.342 30 H GLN 5 H GLN 5 11.211 -4.682 -13.423 31 HA GLN 5 HA GLN 5 12.335 -7.357 -13.233 32 1HB GLN 5 2HB GLN 5 14.241 -5.880 -13.863 33 2HB GLN 5 1HB GLN 5 13.930 -4.913 -12.425 34 1HG GLN 5 2HG GLN 5 14.340 -6.902 -11.032 35 2HG GLN 5 1HG GLN 5 14.729 -7.814 -12.489 36 1HE2 GLN 5 1HE2 GLN 5 16.624 -7.353 -13.603 37 2HE2 GLN 5 2HE2 GLN 5 17.939 -6.507 -12.853 38 HA PRO 6 HA PRO 6 9.851 -6.396 -9.533 39 1HB PRO 6 2HB PRO 6 9.621 -9.323 -9.420 40 2HB PRO 6 1HB PRO 6 8.346 -8.106 -9.512 41 1HG PRO 6 2HG PRO 6 8.929 -9.730 -11.583 42 2HG PRO 6 1HG PRO 6 8.370 -8.062 -11.817 43 1HD PRO 6 2HD PRO 6 11.148 -9.173 -11.972 44 2HD PRO 6 1HD PRO 6 10.353 -7.976 -13.017 45 H SER 7 H SER 7 10.689 -6.243 -7.534 46 HA SER 7 HA SER 7 13.142 -7.721 -6.983 47 1HB SER 7 2HB SER 7 13.108 -5.255 -6.642 48 2HB SER 7 1HB SER 7 11.889 -5.472 -5.389 49 HG SER 7 HG SER 7 14.285 -6.929 -5.197 50 H ARG 8 H ARG 8 10.686 -6.690 -4.604 51 HA ARG 8 HA ARG 8 10.391 -9.520 -3.870 52 1HB ARG 8 2HB ARG 8 10.690 -7.210 -1.945 53 2HB ARG 8 1HB ARG 8 10.439 -8.892 -1.508 54 1HG ARG 8 2HG ARG 8 12.579 -9.497 -2.432 55 2HG ARG 8 1HG ARG 8 12.810 -7.854 -3.019 56 1HD ARG 8 2HD ARG 8 12.632 -7.107 -0.610 57 2HD ARG 8 1HD ARG 8 12.742 -8.812 -0.170 58 HE ARG 8 HE ARG 8 14.850 -7.643 -1.840 59 1HH1 ARG 8 1HH1 ARG 8 13.828 -9.013 1.223 60 2HH1 ARG 8 2HH1 ARG 8 15.454 -9.164 1.827 61 1HH2 ARG 8 1HH2 ARG 8 16.975 -7.819 -1.042 62 2HH2 ARG 8 2HH2 ARG 8 17.240 -8.435 0.565 63 H SER 9 H SER 9 8.594 -9.455 -1.970 64 HA SER 9 HA SER 9 6.301 -7.995 -3.101 65 1HB SER 9 2HB SER 9 6.223 -10.791 -1.948 66 2HB SER 9 1HB SER 9 4.890 -9.922 -2.713 67 HG SER 9 HG SER 9 6.105 -11.519 -4.021 68 H TYR 10 H TYR 10 4.927 -7.053 -1.698 69 HA TYR 10 HA TYR 10 5.458 -7.422 1.184 70 1HB TYR 10 2HB TYR 10 4.528 -4.867 -0.164 71 2HB TYR 10 1HB TYR 10 4.938 -5.072 1.532 72 HD1 TYR 10 1HD TYR 10 7.275 -5.200 2.237 73 HD2 TYR 10 2HD TYR 10 6.243 -4.603 -1.848 74 HE1 TYR 10 1HE TYR 10 9.576 -4.476 1.768 75 HE2 TYR 10 2HE TYR 10 8.544 -3.877 -2.329 76 HH TYR 10 HH TYR 10 10.458 -2.881 -1.044 77 H ARG 11 H ARG 11 3.655 -7.938 2.381 78 HA ARG 11 HA ARG 11 1.082 -7.798 0.965 79 1HB ARG 11 2HB ARG 11 0.191 -9.351 2.542 80 2HB ARG 11 1HB ARG 11 1.723 -9.982 1.972 81 1HG ARG 11 2HG ARG 11 2.813 -9.340 4.012 82 2HG ARG 11 1HG ARG 11 1.363 -8.497 4.561 83 1HD ARG 11 2HD ARG 11 1.481 -10.607 5.688 84 2HD ARG 11 1HD ARG 11 0.161 -10.672 4.522 85 HE ARG 11 HE ARG 11 1.723 -11.918 3.051 86 1HH1 ARG 11 1HH1 ARG 11 2.201 -11.867 6.524 87 2HH1 ARG 11 2HH1 ARG 11 3.122 -13.338 6.542 88 1HH2 ARG 11 1HH2 ARG 11 2.921 -13.859 3.080 89 2HH2 ARG 11 2HH2 ARG 11 3.544 -14.471 4.582 90 H ILE 12 H ILE 12 -0.788 -7.085 2.121 91 HA ILE 12 HA ILE 12 -0.112 -4.802 3.859 92 HB ILE 12 HB ILE 12 -2.790 -5.338 2.550 93 1HG1 ILE 12 2HG1 ILE 12 -0.534 -3.626 1.477 94 2HG1 ILE 12 1HG1 ILE 12 -1.011 -5.189 0.823 95 1HG2 ILE 12 1HG2 ILE 12 -2.880 -3.770 4.382 96 2HG2 ILE 12 2HG2 ILE 12 -3.085 -2.898 2.863 97 3HG2 ILE 12 3HG2 ILE 12 -1.538 -2.849 3.705 98 1HD1 ILE 12 1HD1 ILE 12 -3.213 -4.267 0.279 99 2HD1 ILE 12 2HD1 ILE 12 -1.906 -3.399 -0.522 100 3HD1 ILE 12 3HD1 ILE 12 -2.694 -2.696 0.890 101 H THR 13 H THR 13 -0.370 -5.090 5.959 102 HA THR 13 HA THR 13 -2.020 -7.283 6.930 103 HB THR 13 HB THR 13 -0.422 -5.497 8.698 104 HG1 THR 13 1HG THR 13 0.781 -7.733 7.476 105 1HG2 THR 13 1HG2 THR 13 -0.090 -7.562 9.959 106 2HG2 THR 13 2HG2 THR 13 -0.959 -8.465 8.720 107 3HG2 THR 13 3HG2 THR 13 -1.808 -7.266 9.695 108 H GLY 14 H GLY 14 -2.132 -3.870 6.600 109 1HA GLY 14 2HA GLY 14 -4.759 -3.511 7.268 110 2HA GLY 14 1HA GLY 14 -3.913 -3.368 8.802 111 H TYR 15 H TYR 15 -4.462 -1.192 9.048 112 HA TYR 15 HA TYR 15 -3.061 0.631 7.197 113 1HB TYR 15 2HB TYR 15 -5.588 1.196 8.752 114 2HB TYR 15 1HB TYR 15 -4.772 2.312 7.669 115 HD1 TYR 15 1HD TYR 15 -6.831 -0.728 7.852 116 HD2 TYR 15 2HD TYR 15 -4.991 2.111 5.277 117 HE1 TYR 15 1HE TYR 15 -8.176 -1.569 5.974 118 HE2 TYR 15 2HE TYR 15 -6.333 1.278 3.390 119 HH TYR 15 HH TYR 15 -7.542 -0.699 2.716 120 H SER 16 H SER 16 -2.126 2.512 8.122 121 HA SER 16 HA SER 16 -1.037 2.056 10.743 122 1HB SER 16 2HB SER 16 -0.618 4.284 8.734 123 2HB SER 16 1HB SER 16 0.333 4.033 10.189 124 HG SER 16 HG SER 16 0.974 3.090 7.952 125 HA PRO 17 HA PRO 17 -3.737 4.630 13.117 126 1HB PRO 17 2HB PRO 17 -1.360 5.796 14.432 127 2HB PRO 17 1HB PRO 17 -2.710 4.901 15.133 128 1HG PRO 17 2HG PRO 17 -0.294 3.787 14.894 129 2HG PRO 17 1HG PRO 17 -1.773 2.841 14.644 130 1HD PRO 17 2HD PRO 17 0.111 3.987 12.618 131 2HD PRO 17 1HD PRO 17 -0.716 2.414 12.629 132 H ALA 18 H ALA 18 -1.225 6.034 11.227 133 HA ALA 18 HA ALA 18 -1.964 8.763 11.794 134 1HB ALA 18 1HB ALA 18 -0.250 9.364 10.178 135 2HB ALA 18 2HB ALA 18 -0.070 7.670 9.725 136 3HB ALA 18 3HB ALA 18 0.361 8.200 11.351 137 H ILE 19 H ILE 19 -3.318 6.409 9.820 138 HA ILE 19 HA ILE 19 -4.056 8.306 7.726 139 HB ILE 19 HB ILE 19 -3.392 5.988 7.089 140 1HG1 ILE 19 2HG1 ILE 19 -6.222 6.809 6.377 141 2HG1 ILE 19 1HG1 ILE 19 -4.748 7.342 5.574 142 1HG2 ILE 19 1HG2 ILE 19 -4.390 4.772 8.949 143 2HG2 ILE 19 2HG2 ILE 19 -4.981 4.155 7.407 144 3HG2 ILE 19 3HG2 ILE 19 -6.001 5.209 8.384 145 1HD1 ILE 19 1HD1 ILE 19 -4.318 5.089 4.811 146 2HD1 ILE 19 2HD1 ILE 19 -5.918 5.629 4.299 147 3HD1 ILE 19 3HD1 ILE 19 -5.755 4.511 5.654 148 H SER 20 H SER 20 -6.184 8.889 7.266 149 HA SER 20 HA SER 20 -7.958 8.895 9.557 150 1HB SER 20 2HB SER 20 -7.493 10.894 7.996 151 2HB SER 20 1HB SER 20 -8.544 10.081 6.838 152 HG SER 20 HG SER 20 -9.727 11.547 8.078 153 H ASN 21 H ASN 21 -10.280 8.304 9.285 154 HA ASN 21 HA ASN 21 -10.439 5.607 8.446 155 1HB ASN 21 2HB ASN 21 -11.809 6.409 10.284 156 2HB ASN 21 1HB ASN 21 -12.641 7.535 9.215 157 1HD2 ASN 21 1HD2 ASN 21 -12.288 4.208 10.162 158 2HD2 ASN 21 2HD2 ASN 21 -13.700 3.617 9.354 159 H GLY 22 H GLY 22 -11.860 8.573 7.071 160 1HA GLY 22 2HA GLY 22 -13.153 7.279 4.910 161 2HA GLY 22 1HA GLY 22 -12.726 8.980 4.971 162 H TYR 23 H TYR 23 -9.926 8.668 5.220 163 HA TYR 23 HA TYR 23 -9.153 8.347 2.527 164 1HB TYR 23 2HB TYR 23 -7.989 9.660 4.444 165 2HB TYR 23 1HB TYR 23 -7.227 8.122 4.830 166 HD1 TYR 23 1HD TYR 23 -5.618 7.105 3.254 167 HD2 TYR 23 2HD TYR 23 -7.361 10.913 2.506 168 HE1 TYR 23 1HE TYR 23 -3.891 7.560 1.562 169 HE2 TYR 23 2HE TYR 23 -5.643 11.373 0.813 170 HH TYR 23 HH TYR 23 -3.459 8.931 -0.318 171 H ARG 24 H ARG 24 -8.885 6.271 5.362 172 HA ARG 24 HA ARG 24 -7.652 4.027 4.273 173 1HB ARG 24 2HB ARG 24 -8.140 4.224 6.646 174 2HB ARG 24 1HB ARG 24 -9.862 4.307 6.328 175 1HG ARG 24 2HG ARG 24 -9.576 1.968 5.315 176 2HG ARG 24 1HG ARG 24 -8.036 1.958 6.173 177 1HD ARG 24 2HD ARG 24 -10.725 2.441 7.450 178 2HD ARG 24 1HD ARG 24 -9.877 0.898 7.445 179 HE ARG 24 HE ARG 24 -8.402 3.129 8.578 180 1HH1 ARG 24 1HH1 ARG 24 -10.537 0.409 9.184 181 2HH1 ARG 24 2HH1 ARG 24 -10.102 0.295 10.865 182 1HH2 ARG 24 1HH2 ARG 24 -7.829 2.946 10.787 183 2HH2 ARG 24 2HH2 ARG 24 -8.568 1.718 11.768 184 H GLN 25 H GLN 25 -11.044 4.972 4.298 185 HA GLN 25 HA GLN 25 -11.973 2.655 2.987 186 1HB GLN 25 2HB GLN 25 -13.160 5.370 3.469 187 2HB GLN 25 1HB GLN 25 -14.029 4.094 2.644 188 1HG GLN 25 2HG GLN 25 -13.791 2.658 4.606 189 2HG GLN 25 1HG GLN 25 -12.924 3.947 5.435 190 1HE2 GLN 25 1HE2 GLN 25 -14.669 6.016 4.289 191 2HE2 GLN 25 2HE2 GLN 25 -16.163 5.906 5.156 192 H ARG 26 H ARG 26 -10.822 5.769 1.849 193 HA ARG 26 HA ARG 26 -11.584 5.402 -0.861 194 1HB ARG 26 2HB ARG 26 -10.840 7.578 0.289 195 2HB ARG 26 1HB ARG 26 -9.197 7.009 0.048 196 1HG ARG 26 2HG ARG 26 -11.016 7.087 -2.301 197 2HG ARG 26 1HG ARG 26 -10.384 8.609 -1.681 198 1HD ARG 26 2HD ARG 26 -8.636 6.258 -2.386 199 2HD ARG 26 1HD ARG 26 -9.049 7.532 -3.534 200 HE ARG 26 HE ARG 26 -7.961 8.565 -1.094 201 1HH1 ARG 26 1HH1 ARG 26 -7.153 7.247 -4.241 202 2HH1 ARG 26 2HH1 ARG 26 -5.549 7.924 -4.249 203 1HH2 ARG 26 1HH2 ARG 26 -5.858 9.461 -1.120 204 2HH2 ARG 26 2HH2 ARG 26 -4.810 9.160 -2.468 205 H LEU 27 H LEU 27 -8.694 4.602 1.013 206 HA LEU 27 HA LEU 27 -7.222 3.523 -1.167 207 1HB LEU 27 2HB LEU 27 -7.049 3.115 1.811 208 2HB LEU 27 1HB LEU 27 -5.945 2.346 0.695 209 HG LEU 27 HG LEU 27 -6.269 5.306 1.167 210 1HD1 LEU 27 1HD1 LEU 27 -3.993 3.398 1.676 211 2HD1 LEU 27 2HD1 LEU 27 -5.001 4.184 2.892 212 3HD1 LEU 27 3HD1 LEU 27 -3.922 5.149 1.885 213 1HD2 LEU 27 1HD2 LEU 27 -5.888 4.906 -1.196 214 2HD2 LEU 27 2HD2 LEU 27 -4.517 3.865 -0.818 215 3HD2 LEU 27 3HD2 LEU 27 -4.443 5.587 -0.447 216 H PHE 28 H PHE 28 -9.363 2.132 1.244 217 HA PHE 28 HA PHE 28 -9.309 -0.554 0.550 218 1HB PHE 28 2HB PHE 28 -10.530 0.495 2.468 219 2HB PHE 28 1HB PHE 28 -11.741 1.066 1.336 220 HD1 PHE 28 1HD PHE 28 -10.390 -1.836 3.089 221 HD2 PHE 28 2HD PHE 28 -13.336 -0.462 0.337 222 HE1 PHE 28 1HE PHE 28 -11.631 -3.941 3.370 223 HE2 PHE 28 2HE PHE 28 -14.579 -2.569 0.612 224 HZ PHE 28 HZ PHE 28 -13.727 -4.309 2.131 225 H SER 29 H SER 29 -11.327 2.052 -0.720 226 HA SER 29 HA SER 29 -12.762 0.603 -2.632 227 1HB SER 29 2HB SER 29 -11.922 3.511 -2.705 228 2HB SER 29 1HB SER 29 -13.210 2.788 -3.665 229 HG SER 29 HG SER 29 -13.096 3.152 -0.855 230 H MET 30 H MET 30 -9.580 2.067 -2.756 231 HA MET 30 HA MET 30 -9.195 1.767 -5.563 232 1HB MET 30 2HB MET 30 -7.208 2.059 -3.309 233 2HB MET 30 1HB MET 30 -6.766 2.034 -5.007 234 1HG MET 30 2HG MET 30 -8.173 4.021 -5.370 235 2HG MET 30 1HG MET 30 -8.498 4.068 -3.637 236 1HE MET 30 1HE MET 30 -4.339 4.715 -5.528 237 2HE MET 30 2HE MET 30 -5.821 4.531 -6.464 238 3HE MET 30 3HE MET 30 -5.176 3.162 -5.557 239 H GLY 31 H GLY 31 -8.880 -0.335 -2.840 240 1HA GLY 31 2HA GLY 31 -8.957 -2.736 -3.373 241 2HA GLY 31 1HA GLY 31 -7.765 -2.412 -4.622 242 H LEU 32 H LEU 32 -7.155 -0.560 -1.906 243 HA LEU 32 HA LEU 32 -4.975 -2.356 -1.130 244 1HB LEU 32 2HB LEU 32 -5.394 0.564 -0.475 245 2HB LEU 32 1HB LEU 32 -3.968 -0.380 -0.098 246 HG LEU 32 HG LEU 32 -4.916 0.278 -2.888 247 1HD1 LEU 32 1HD1 LEU 32 -2.647 1.412 -1.262 248 2HD1 LEU 32 2HD1 LEU 32 -4.121 2.259 -1.731 249 3HD1 LEU 32 3HD1 LEU 32 -2.965 1.755 -2.963 250 1HD2 LEU 32 1HD2 LEU 32 -3.704 -1.845 -2.749 251 2HD2 LEU 32 2HD2 LEU 32 -2.375 -1.029 -1.924 252 3HD2 LEU 32 3HD2 LEU 32 -2.762 -0.616 -3.594 253 H LEU 33 H LEU 33 -5.971 -3.765 0.265 254 HA LEU 33 HA LEU 33 -6.824 -2.634 2.812 255 1HB LEU 33 2HB LEU 33 -8.748 -4.086 2.920 256 2HB LEU 33 1HB LEU 33 -8.863 -3.070 1.501 257 HG LEU 33 HG LEU 33 -7.769 -5.851 1.268 258 1HD1 LEU 33 1HD1 LEU 33 -9.866 -6.091 2.478 259 2HD1 LEU 33 2HD1 LEU 33 -10.036 -6.663 0.818 260 3HD1 LEU 33 3HD1 LEU 33 -10.687 -5.089 1.281 261 1HD2 LEU 33 1HD2 LEU 33 -9.302 -4.042 -0.600 262 2HD2 LEU 33 2HD2 LEU 33 -8.746 -5.672 -0.982 263 3HD2 LEU 33 3HD2 LEU 33 -7.576 -4.391 -0.664 264 HA PRO 34 HA PRO 34 -4.524 -5.931 4.716 265 1HB PRO 34 2HB PRO 34 -6.350 -6.865 6.570 266 2HB PRO 34 1HB PRO 34 -5.310 -5.455 6.806 267 1HG PRO 34 2HG PRO 34 -8.171 -5.584 5.956 268 2HG PRO 34 1HG PRO 34 -7.376 -4.440 7.053 269 1HD PRO 34 2HD PRO 34 -7.974 -3.770 4.528 270 2HD PRO 34 1HD PRO 34 -6.488 -3.193 5.313 271 H GLY 35 H GLY 35 -4.122 -7.912 3.985 272 1HA GLY 35 2HA GLY 35 -4.855 -10.224 3.752 273 2HA GLY 35 1HA GLY 35 -6.421 -9.612 3.239 274 H ALA 36 H ALA 36 -4.102 -7.681 1.885 275 HA ALA 36 HA ALA 36 -4.066 -9.272 -0.574 276 1HB ALA 36 1HB ALA 36 -3.960 -6.271 -0.269 277 2HB ALA 36 2HB ALA 36 -5.366 -7.207 -0.775 278 3HB ALA 36 3HB ALA 36 -3.927 -7.159 -1.793 279 H ALA 37 H ALA 37 -2.193 -8.488 -1.994 280 HA ALA 37 HA ALA 37 0.244 -7.860 -0.584 281 1HB ALA 37 1HB ALA 37 1.419 -9.903 -1.257 282 2HB ALA 37 2HB ALA 37 -0.077 -10.543 -1.939 283 3HB ALA 37 3HB ALA 37 0.055 -10.277 -0.200 284 H LEU 38 H LEU 38 1.783 -7.012 -1.912 285 HA LEU 38 HA LEU 38 1.195 -6.926 -4.809 286 1HB LEU 38 2HB LEU 38 2.262 -4.646 -3.149 287 2HB LEU 38 1HB LEU 38 1.867 -4.602 -4.853 288 HG LEU 38 HG LEU 38 -0.156 -5.010 -2.649 289 1HD1 LEU 38 1HD1 LEU 38 -0.840 -2.703 -3.134 290 2HD1 LEU 38 2HD1 LEU 38 0.528 -2.538 -4.235 291 3HD1 LEU 38 3HD1 LEU 38 0.808 -2.789 -2.513 292 1HD2 LEU 38 1HD2 LEU 38 -0.466 -4.493 -5.606 293 2HD2 LEU 38 2HD2 LEU 38 -1.782 -4.541 -4.432 294 3HD2 LEU 38 3HD2 LEU 38 -0.840 -5.995 -4.757 295 H ARG 39 H ARG 39 2.894 -7.274 -6.103 296 HA ARG 39 HA ARG 39 5.537 -7.538 -4.867 297 1HB ARG 39 2HB ARG 39 4.964 -9.506 -6.086 298 2HB ARG 39 1HB ARG 39 4.408 -8.574 -7.469 299 1HG ARG 39 2HG ARG 39 6.576 -8.060 -8.148 300 2HG ARG 39 1HG ARG 39 7.260 -8.456 -6.573 301 1HD ARG 39 2HD ARG 39 5.938 -10.524 -8.305 302 2HD ARG 39 1HD ARG 39 7.645 -10.116 -8.471 303 HE ARG 39 HE ARG 39 6.720 -10.851 -5.806 304 1HH1 ARG 39 1HH1 ARG 39 8.300 -11.842 -8.768 305 2HH1 ARG 39 2HH1 ARG 39 9.139 -13.170 -8.035 306 1HH2 ARG 39 1HH2 ARG 39 7.828 -12.614 -4.833 307 2HH2 ARG 39 2HH2 ARG 39 8.883 -13.607 -5.796 308 H VAL 40 H VAL 40 7.164 -6.192 -5.363 309 HA VAL 40 HA VAL 40 6.382 -3.673 -6.456 310 HB VAL 40 HB VAL 40 7.956 -3.970 -4.522 311 1HG1 VAL 40 1HG1 VAL 40 9.333 -5.745 -5.428 312 2HG1 VAL 40 2HG1 VAL 40 10.307 -4.348 -4.963 313 3HG1 VAL 40 3HG1 VAL 40 9.945 -4.648 -6.664 314 1HG2 VAL 40 1HG2 VAL 40 8.886 -2.293 -6.844 315 2HG2 VAL 40 2HG2 VAL 40 9.391 -2.078 -5.168 316 3HG2 VAL 40 3HG2 VAL 40 7.704 -1.832 -5.618 317 H VAL 41 H VAL 41 6.747 -2.792 -8.357 318 HA VAL 41 HA VAL 41 8.279 -4.328 -10.341 319 HB VAL 41 HB VAL 41 6.158 -2.199 -10.704 320 1HG1 VAL 41 1HG1 VAL 41 6.341 -2.647 -13.108 321 2HG1 VAL 41 2HG1 VAL 41 7.716 -3.708 -12.800 322 3HG1 VAL 41 3HG1 VAL 41 7.836 -1.983 -12.449 323 1HG2 VAL 41 1HG2 VAL 41 6.158 -5.144 -11.347 324 2HG2 VAL 41 2HG2 VAL 41 4.862 -4.010 -11.724 325 3HG2 VAL 41 3HG2 VAL 41 5.265 -4.360 -10.043 326 H ARG 42 H ARG 42 7.785 -1.039 -9.064 327 HA ARG 42 HA ARG 42 10.465 -0.264 -9.840 328 1HB ARG 42 2HB ARG 42 8.048 0.665 -11.320 329 2HB ARG 42 1HB ARG 42 9.358 1.800 -11.056 330 1HG ARG 42 2HG ARG 42 10.881 0.418 -12.285 331 2HG ARG 42 1HG ARG 42 9.665 -0.860 -12.429 332 1HD ARG 42 2HD ARG 42 8.316 0.428 -13.846 333 2HD ARG 42 1HD ARG 42 9.143 1.922 -13.417 334 HE ARG 42 HE ARG 42 11.050 0.350 -14.632 335 1HH1 ARG 42 1HH1 ARG 42 7.898 1.593 -15.475 336 2HH1 ARG 42 2HH1 ARG 42 8.267 1.797 -17.159 337 1HH2 ARG 42 1HH2 ARG 42 11.572 0.625 -16.845 338 2HH2 ARG 42 2HH2 ARG 42 10.387 1.276 -17.937 339 H ILE 43 H ILE 43 11.244 1.250 -8.496 340 HA ILE 43 HA ILE 43 9.400 3.348 -7.539 341 HB ILE 43 HB ILE 43 11.874 2.464 -6.020 342 1HG1 ILE 43 2HG1 ILE 43 9.963 1.868 -4.273 343 2HG1 ILE 43 1HG1 ILE 43 9.030 1.612 -5.741 344 1HG2 ILE 43 1HG2 ILE 43 9.660 4.378 -5.297 345 2HG2 ILE 43 2HG2 ILE 43 11.307 4.815 -5.748 346 3HG2 ILE 43 3HG2 ILE 43 11.006 3.927 -4.254 347 1HD1 ILE 43 1HD1 ILE 43 10.640 -0.014 -6.516 348 2HD1 ILE 43 2HD1 ILE 43 10.034 -0.446 -4.914 349 3HD1 ILE 43 3HD1 ILE 43 11.632 0.275 -5.088 350 H ALA 44 H ALA 44 10.002 5.259 -8.457 351 HA ALA 44 HA ALA 44 12.315 5.397 -10.105 352 1HB ALA 44 1HB ALA 44 10.277 6.672 -10.619 353 2HB ALA 44 2HB ALA 44 11.695 7.718 -10.523 354 3HB ALA 44 3HB ALA 44 10.544 7.662 -9.186 355 HA PRO 45 HA PRO 45 15.496 6.467 -7.240 356 1HB PRO 45 2HB PRO 45 17.037 7.998 -8.953 357 2HB PRO 45 1HB PRO 45 17.077 6.234 -8.861 358 1HG PRO 45 2HG PRO 45 15.628 8.005 -10.780 359 2HG PRO 45 1HG PRO 45 16.483 6.481 -11.086 360 1HD PRO 45 2HD PRO 45 13.811 6.573 -10.948 361 2HD PRO 45 1HD PRO 45 14.721 5.191 -10.298 362 H LEU 46 H LEU 46 13.690 8.867 -8.946 363 HA LEU 46 HA LEU 46 14.608 11.246 -7.849 364 1HB LEU 46 2HB LEU 46 11.855 10.334 -8.652 365 2HB LEU 46 1HB LEU 46 12.150 11.957 -8.067 366 HG LEU 46 HG LEU 46 12.101 12.081 -10.435 367 1HD1 LEU 46 1HD1 LEU 46 13.876 13.387 -9.410 368 2HD1 LEU 46 2HD1 LEU 46 14.338 12.835 -11.019 369 3HD1 LEU 46 3HD1 LEU 46 14.991 12.031 -9.592 370 1HD2 LEU 46 1HD2 LEU 46 12.372 9.703 -10.922 371 2HD2 LEU 46 2HD2 LEU 46 14.081 9.804 -10.504 372 3HD2 LEU 46 3HD2 LEU 46 13.465 10.684 -11.901 373 H GLY 47 H GLY 47 12.452 8.816 -6.552 374 1HA GLY 47 2HA GLY 47 12.829 9.152 -3.895 375 2HA GLY 47 1HA GLY 47 11.655 10.397 -4.291 376 H ASP 48 H ASP 48 9.687 9.690 -5.448 377 HA ASP 48 HA ASP 48 9.109 6.885 -5.418 378 1HB ASP 48 2HB ASP 48 8.583 6.984 -3.242 379 2HB ASP 48 1HB ASP 48 8.304 8.709 -3.257 380 HA PRO 49 HA PRO 49 5.330 7.034 -6.781 381 1HB PRO 49 2HB PRO 49 5.554 5.973 -9.298 382 2HB PRO 49 1HB PRO 49 5.311 7.690 -8.998 383 1HG PRO 49 2HG PRO 49 7.624 6.420 -10.128 384 2HG PRO 49 1HG PRO 49 7.403 8.142 -9.779 385 1HD PRO 49 2HD PRO 49 8.730 6.033 -8.121 386 2HD PRO 49 1HD PRO 49 9.090 7.773 -8.240 387 H ILE 50 H ILE 50 4.390 4.904 -6.774 388 HA ILE 50 HA ILE 50 6.456 2.806 -6.554 389 HB ILE 50 HB ILE 50 3.950 3.104 -4.880 390 1HG1 ILE 50 2HG1 ILE 50 6.859 3.028 -4.058 391 2HG1 ILE 50 1HG1 ILE 50 5.971 4.520 -4.352 392 1HG2 ILE 50 1HG2 ILE 50 4.289 0.754 -5.393 393 2HG2 ILE 50 2HG2 ILE 50 4.712 1.068 -3.711 394 3HG2 ILE 50 3HG2 ILE 50 5.984 0.870 -4.916 395 1HD1 ILE 50 1HD1 ILE 50 4.440 3.970 -2.549 396 2HD1 ILE 50 2HD1 ILE 50 6.110 4.005 -1.986 397 3HD1 ILE 50 3HD1 ILE 50 5.305 2.461 -2.266 398 H GLN 51 H GLN 51 6.329 1.731 -8.361 399 HA GLN 51 HA GLN 51 3.744 0.979 -9.475 400 1HB GLN 51 2HB GLN 51 6.589 0.838 -10.452 401 2HB GLN 51 1HB GLN 51 5.301 -0.041 -11.260 402 1HG GLN 51 2HG GLN 51 4.197 1.921 -11.893 403 2HG GLN 51 1HG GLN 51 5.101 2.901 -10.742 404 1HE2 GLN 51 1HE2 GLN 51 7.131 3.616 -11.264 405 2HE2 GLN 51 2HE2 GLN 51 7.786 3.508 -12.859 406 H VAL 52 H VAL 52 2.851 -0.921 -9.064 407 HA VAL 52 HA VAL 52 4.511 -3.206 -8.261 408 HB VAL 52 HB VAL 52 2.912 -3.772 -6.444 409 1HG1 VAL 52 1HG1 VAL 52 3.719 -2.120 -4.805 410 2HG1 VAL 52 2HG1 VAL 52 4.312 -1.120 -6.132 411 3HG1 VAL 52 3HG1 VAL 52 5.004 -2.718 -5.853 412 1HG2 VAL 52 1HG2 VAL 52 1.422 -2.021 -5.566 413 2HG2 VAL 52 2HG2 VAL 52 0.979 -2.531 -7.196 414 3HG2 VAL 52 3HG2 VAL 52 1.829 -1.005 -6.950 415 H GLU 53 H GLU 53 3.049 -5.242 -8.124 416 HA GLU 53 HA GLU 53 1.059 -5.081 -10.304 417 1HB GLU 53 2HB GLU 53 3.358 -6.433 -10.512 418 2HB GLU 53 1HB GLU 53 2.417 -7.662 -9.682 419 1HG GLU 53 2HG GLU 53 1.574 -6.334 -12.248 420 2HG GLU 53 1HG GLU 53 2.440 -7.864 -12.160 421 H THR 54 H THR 54 -0.912 -6.046 -9.960 422 HA THR 54 HA THR 54 -1.368 -6.789 -7.144 423 HB THR 54 HB THR 54 -3.416 -5.623 -9.027 424 HG1 THR 54 1HG THR 54 -1.296 -4.408 -8.008 425 1HG2 THR 54 1HG2 THR 54 -4.586 -5.061 -6.943 426 2HG2 THR 54 2HG2 THR 54 -3.291 -5.811 -6.011 427 3HG2 THR 54 3HG2 THR 54 -4.305 -6.798 -7.064 428 H ARG 55 H ARG 55 -2.197 -7.554 -10.486 429 HA ARG 55 HA ARG 55 -2.792 -10.253 -10.039 430 1HB ARG 55 2HB ARG 55 -4.749 -9.325 -8.807 431 2HB ARG 55 1HB ARG 55 -5.279 -8.540 -10.289 432 1HG ARG 55 2HG ARG 55 -5.422 -10.796 -11.346 433 2HG ARG 55 1HG ARG 55 -5.078 -11.501 -9.766 434 1HD ARG 55 2HD ARG 55 -7.444 -9.780 -10.512 435 2HD ARG 55 1HD ARG 55 -7.461 -11.506 -10.160 436 HE ARG 55 HE ARG 55 -6.831 -9.427 -8.158 437 1HH1 ARG 55 1HH1 ARG 55 -8.329 -12.478 -9.065 438 2HH1 ARG 55 2HH1 ARG 55 -8.927 -12.789 -7.463 439 1HH2 ARG 55 1HH2 ARG 55 -7.639 -9.832 -6.076 440 2HH2 ARG 55 2HH2 ARG 55 -8.524 -11.292 -5.756 441 H GLN 56 H GLN 56 -3.402 -7.366 -11.937 442 HA GLN 56 HA GLN 56 -3.479 -9.042 -14.355 443 1HB GLN 56 2HB GLN 56 -5.622 -7.774 -13.547 444 2HB GLN 56 1HB GLN 56 -4.821 -6.361 -14.213 445 1HG GLN 56 2HG GLN 56 -5.274 -8.846 -15.829 446 2HG GLN 56 1HG GLN 56 -6.497 -7.592 -15.680 447 1HE2 GLN 56 1HE2 GLN 56 -3.462 -8.489 -17.062 448 2HE2 GLN 56 2HE2 GLN 56 -3.304 -7.126 -18.122 449 H THR 57 H THR 57 -2.727 -5.760 -13.159 450 HA THR 57 HA THR 57 -0.508 -5.653 -15.043 451 HB THR 57 HB THR 57 -2.506 -4.666 -16.204 452 HG1 THR 57 1HG THR 57 -1.164 -3.313 -17.158 453 1HG2 THR 57 1HG2 THR 57 -3.609 -3.676 -14.257 454 2HG2 THR 57 2HG2 THR 57 -3.298 -2.460 -15.495 455 3HG2 THR 57 3HG2 THR 57 -2.268 -2.545 -14.066 456 H SER 58 H SER 58 0.629 -3.402 -14.687 457 HA SER 58 HA SER 58 1.181 -3.320 -11.839 458 1HB SER 58 2HB SER 58 2.591 -1.842 -14.059 459 2HB SER 58 1HB SER 58 3.183 -2.126 -12.424 460 HG SER 58 HG SER 58 2.873 -4.460 -13.060 461 H LEU 59 H LEU 59 0.737 -1.705 -10.541 462 HA LEU 59 HA LEU 59 -0.631 0.642 -11.660 463 1HB LEU 59 2HB LEU 59 -1.010 -0.769 -9.031 464 2HB LEU 59 1HB LEU 59 -1.583 0.863 -9.298 465 HG LEU 59 HG LEU 59 -3.448 -0.505 -9.615 466 1HD1 LEU 59 1HD1 LEU 59 -3.253 1.182 -11.330 467 2HD1 LEU 59 2HD1 LEU 59 -4.004 -0.274 -11.984 468 3HD1 LEU 59 3HD1 LEU 59 -2.313 0.080 -12.339 469 1HD2 LEU 59 1HD2 LEU 59 -2.305 -2.652 -9.757 470 2HD2 LEU 59 2HD2 LEU 59 -1.780 -2.270 -11.399 471 3HD2 LEU 59 3HD2 LEU 59 -3.497 -2.477 -11.048 472 H ALA 60 H ALA 60 -0.526 2.526 -9.987 473 HA ALA 60 HA ALA 60 2.143 2.740 -8.816 474 1HB ALA 60 1HB ALA 60 2.609 4.848 -9.948 475 2HB ALA 60 2HB ALA 60 1.092 4.722 -10.839 476 3HB ALA 60 3HB ALA 60 2.381 3.555 -11.126 477 H LEU 61 H LEU 61 2.284 4.233 -7.159 478 HA LEU 61 HA LEU 61 0.053 5.934 -6.519 479 1HB LEU 61 2HB LEU 61 -0.459 4.980 -4.361 480 2HB LEU 61 1HB LEU 61 -0.709 3.773 -5.600 481 HG LEU 61 HG LEU 61 1.855 3.821 -4.069 482 1HD1 LEU 61 1HD1 LEU 61 0.891 2.306 -2.432 483 2HD1 LEU 61 2HD1 LEU 61 -0.692 2.472 -3.191 484 3HD1 LEU 61 3HD1 LEU 61 0.058 3.861 -2.403 485 1HD2 LEU 61 1HD2 LEU 61 1.786 1.413 -4.541 486 2HD2 LEU 61 2HD2 LEU 61 1.716 2.373 -6.019 487 3HD2 LEU 61 3HD2 LEU 61 0.250 1.632 -5.380 488 H ARG 62 H ARG 62 0.642 6.682 -3.992 489 HA ARG 62 HA ARG 62 3.417 7.552 -4.297 490 1HB ARG 62 2HB ARG 62 1.072 8.872 -2.967 491 2HB ARG 62 1HB ARG 62 2.730 9.425 -2.750 492 1HG ARG 62 2HG ARG 62 1.294 9.195 -5.366 493 2HG ARG 62 1HG ARG 62 1.567 10.679 -4.466 494 1HD ARG 62 2HD ARG 62 3.970 10.402 -4.705 495 2HD ARG 62 1HD ARG 62 3.721 8.872 -5.544 496 HE ARG 62 HE ARG 62 2.386 10.475 -7.153 497 1HH1 ARG 62 1HH1 ARG 62 5.471 10.967 -5.593 498 2HH1 ARG 62 2HH1 ARG 62 6.094 11.992 -6.847 499 1HH2 ARG 62 1HH2 ARG 62 3.191 11.823 -8.817 500 2HH2 ARG 62 2HH2 ARG 62 4.797 12.480 -8.687 501 H ARG 63 H ARG 63 4.615 8.006 -2.505 502 HA ARG 63 HA ARG 63 5.010 5.866 -0.774 503 1HB ARG 63 2HB ARG 63 6.612 7.295 0.382 504 2HB ARG 63 1HB ARG 63 6.714 7.549 -1.354 505 1HG ARG 63 2HG ARG 63 4.964 9.484 -0.727 506 2HG ARG 63 1HG ARG 63 5.872 9.398 0.783 507 1HD ARG 63 2HD ARG 63 7.042 9.798 -1.964 508 2HD ARG 63 1HD ARG 63 6.799 11.056 -0.757 509 HE ARG 63 HE ARG 63 8.481 8.806 0.020 510 1HH1 ARG 63 1HH1 ARG 63 8.243 12.123 -1.087 511 2HH1 ARG 63 2HH1 ARG 63 9.899 12.502 -0.714 512 1HH2 ARG 63 1HH2 ARG 63 10.653 9.291 0.508 513 2HH2 ARG 63 2HH2 ARG 63 11.287 10.874 0.162 514 H LYS 64 H LYS 64 3.225 8.863 -0.157 515 HA LYS 64 HA LYS 64 2.967 8.431 2.629 516 1HB LYS 64 2HB LYS 64 2.663 10.640 1.440 517 2HB LYS 64 1HB LYS 64 1.083 10.062 0.924 518 1HG LYS 64 2HG LYS 64 0.362 9.869 3.222 519 2HG LYS 64 1HG LYS 64 1.968 10.319 3.792 520 1HD LYS 64 2HD LYS 64 1.639 12.491 2.498 521 2HD LYS 64 1HD LYS 64 -0.061 12.029 2.378 522 1HE LYS 64 2HE LYS 64 0.283 13.503 4.281 523 2HE LYS 64 1HE LYS 64 -0.182 11.892 4.828 524 1HZ LYS 64 1HZ LYS 64 2.100 11.408 5.356 525 2HZ LYS 64 2HZ LYS 64 1.662 12.854 6.125 526 3HZ LYS 64 3HZ LYS 64 2.611 12.893 4.723 527 H ASP 65 H ASP 65 0.851 7.737 -0.115 528 HA ASP 65 HA ASP 65 -1.324 6.704 1.298 529 1HB ASP 65 2HB ASP 65 -0.259 5.974 -1.440 530 2HB ASP 65 1HB ASP 65 -1.821 5.471 -0.814 531 H LEU 66 H LEU 66 1.645 5.204 0.140 532 HA LEU 66 HA LEU 66 0.955 2.560 0.926 533 1HB LEU 66 2HB LEU 66 2.787 3.353 -0.721 534 2HB LEU 66 1HB LEU 66 3.771 3.581 0.712 535 HG LEU 66 HG LEU 66 3.202 1.129 1.258 536 1HD1 LEU 66 1HD1 LEU 66 1.430 0.811 -0.342 537 2HD1 LEU 66 2HD1 LEU 66 2.776 -0.259 -0.733 538 3HD1 LEU 66 3HD1 LEU 66 2.518 1.208 -1.675 539 1HD2 LEU 66 1HD2 LEU 66 4.976 1.752 -1.096 540 2HD2 LEU 66 2HD2 LEU 66 5.073 0.327 -0.062 541 3HD2 LEU 66 3HD2 LEU 66 5.424 1.922 0.601 542 H ALA 67 H ALA 67 2.698 5.210 2.462 543 HA ALA 67 HA ALA 67 3.622 3.757 4.713 544 1HB ALA 67 1HB ALA 67 4.114 5.929 5.689 545 2HB ALA 67 2HB ALA 67 3.139 6.723 4.453 546 3HB ALA 67 3HB ALA 67 4.619 5.879 4.000 547 H LEU 68 H LEU 68 0.597 5.307 3.966 548 HA LEU 68 HA LEU 68 -0.373 5.270 6.672 549 1HB LEU 68 2HB LEU 68 -1.827 5.596 4.046 550 2HB LEU 68 1HB LEU 68 -2.566 5.793 5.625 551 HG LEU 68 HG LEU 68 -0.339 7.497 4.499 552 1HD1 LEU 68 1HD1 LEU 68 -2.016 9.265 4.434 553 2HD1 LEU 68 2HD1 LEU 68 -3.245 8.125 4.981 554 3HD1 LEU 68 3HD1 LEU 68 -2.477 7.904 3.410 555 1HD2 LEU 68 1HD2 LEU 68 -1.856 7.728 7.095 556 2HD2 LEU 68 2HD2 LEU 68 -0.686 8.892 6.475 557 3HD2 LEU 68 3HD2 LEU 68 -0.163 7.267 6.917 558 H LEU 69 H LEU 69 0.155 2.924 4.376 559 HA LEU 69 HA LEU 69 -1.867 1.108 5.470 560 1HB LEU 69 2HB LEU 69 0.144 0.681 3.252 561 2HB LEU 69 1HB LEU 69 -1.108 -0.447 3.727 562 HG LEU 69 HG LEU 69 -1.667 2.298 2.601 563 1HD1 LEU 69 1HD1 LEU 69 -1.764 -0.374 1.207 564 2HD1 LEU 69 2HD1 LEU 69 -0.492 0.827 0.992 565 3HD1 LEU 69 3HD1 LEU 69 -2.147 1.201 0.509 566 1HD2 LEU 69 1HD2 LEU 69 -3.450 1.373 3.990 567 2HD2 LEU 69 2HD2 LEU 69 -3.423 -0.114 3.041 568 3HD2 LEU 69 3HD2 LEU 69 -3.918 1.404 2.291 569 H THR 70 H THR 70 -1.305 -0.610 6.774 570 HA THR 70 HA THR 70 1.436 -0.737 7.722 571 HB THR 70 HB THR 70 -0.864 -2.538 8.447 572 HG1 THR 70 1HG THR 70 0.103 -0.222 9.810 573 1HG2 THR 70 1HG2 THR 70 1.326 -3.457 9.006 574 2HG2 THR 70 2HG2 THR 70 0.459 -2.990 10.470 575 3HG2 THR 70 3HG2 THR 70 1.750 -1.964 9.842 576 H LEU 71 H LEU 71 2.868 -1.850 6.644 577 HA LEU 71 HA LEU 71 1.974 -4.112 4.983 578 1HB LEU 71 2HB LEU 71 4.250 -2.208 4.425 579 2HB LEU 71 1HB LEU 71 3.729 -3.531 3.400 580 HG LEU 71 HG LEU 71 2.073 -1.087 4.032 581 1HD1 LEU 71 1HD1 LEU 71 4.013 -0.522 2.692 582 2HD1 LEU 71 2HD1 LEU 71 2.549 -0.456 1.711 583 3HD1 LEU 71 3HD1 LEU 71 3.645 -1.831 1.570 584 1HD2 LEU 71 1HD2 LEU 71 0.629 -1.896 2.242 585 2HD2 LEU 71 2HD2 LEU 71 0.735 -3.078 3.546 586 3HD2 LEU 71 3HD2 LEU 71 1.644 -3.327 2.055 587 H VAL 72 H VAL 72 3.054 -5.973 5.173 588 HA VAL 72 HA VAL 72 5.717 -5.864 6.421 589 HB VAL 72 HB VAL 72 5.367 -8.134 7.357 590 1HG1 VAL 72 1HG1 VAL 72 5.098 -6.149 8.763 591 2HG1 VAL 72 2HG1 VAL 72 4.032 -7.458 9.269 592 3HG1 VAL 72 3HG1 VAL 72 3.384 -6.096 8.356 593 1HG2 VAL 72 1HG2 VAL 72 3.070 -8.987 7.614 594 2HG2 VAL 72 2HG2 VAL 72 3.593 -8.928 5.929 595 3HG2 VAL 72 3HG2 VAL 72 2.499 -7.695 6.555 596 HA PRO 73 HA PRO 73 6.769 -7.702 2.550 597 1HB PRO 73 2HB PRO 73 9.442 -8.144 3.567 598 2HB PRO 73 1HB PRO 73 8.896 -6.951 2.388 599 1HG PRO 73 2HG PRO 73 9.784 -6.312 4.894 600 2HG PRO 73 1HG PRO 73 8.649 -5.318 3.965 601 1HD PRO 73 2HD PRO 73 8.105 -7.236 6.197 602 2HD PRO 73 1HD PRO 73 7.355 -5.662 5.850 603 H LEU 74 H LEU 74 7.461 -9.729 1.697 604 HA LEU 74 HA LEU 74 6.991 -12.008 3.306 605 1HB LEU 74 2HB LEU 74 8.297 -11.721 0.602 606 2HB LEU 74 1HB LEU 74 7.909 -13.254 1.345 607 HG LEU 74 HG LEU 74 5.949 -11.142 0.464 608 1HD1 LEU 74 1HD1 LEU 74 5.197 -12.886 -1.083 609 2HD1 LEU 74 2HD1 LEU 74 6.480 -13.948 -0.504 610 3HD1 LEU 74 3HD1 LEU 74 6.886 -12.458 -1.353 611 1HD2 LEU 74 1HD2 LEU 74 5.189 -12.191 2.532 612 2HD2 LEU 74 2HD2 LEU 74 5.440 -13.787 1.826 613 3HD2 LEU 74 3HD2 LEU 74 4.207 -12.713 1.164 614 H ASP 75 H ASP 75 9.863 -10.269 2.317 615 HA ASP 75 HA ASP 75 11.368 -11.317 4.495 616 1HB ASP 75 2HB ASP 75 11.634 -13.188 2.896 617 2HB ASP 75 1HB ASP 75 12.284 -12.064 1.705 Start of MODEL 12 1 HA MET 1 HA MET 1 6.599 0.569 -23.224 2 1HB MET 1 2HB MET 1 9.504 1.386 -23.272 3 2HB MET 1 1HB MET 1 8.939 -0.177 -23.844 4 1HG MET 1 2HG MET 1 7.481 0.996 -25.461 5 2HG MET 1 1HG MET 1 8.193 2.522 -24.940 6 1HE MET 1 1HE MET 1 9.736 1.902 -28.517 7 2HE MET 1 2HE MET 1 8.812 3.020 -27.514 8 3HE MET 1 3HE MET 1 8.114 1.466 -27.973 9 H SER 2 H SER 2 8.394 -1.437 -22.719 10 HA SER 2 HA SER 2 7.634 -2.103 -20.049 11 1HB SER 2 2HB SER 2 9.392 -3.634 -21.974 12 2HB SER 2 1HB SER 2 8.611 -4.276 -20.525 13 HG SER 2 HG SER 2 6.613 -3.970 -21.475 14 H ALA 3 H ALA 3 8.738 -0.660 -18.725 15 HA ALA 3 HA ALA 3 11.619 -1.218 -18.424 16 1HB ALA 3 1HB ALA 3 10.017 1.149 -17.444 17 2HB ALA 3 2HB ALA 3 11.123 1.144 -18.817 18 3HB ALA 3 3HB ALA 3 11.743 0.900 -17.184 19 H LEU 4 H LEU 4 9.775 -3.073 -17.579 20 HA LEU 4 HA LEU 4 9.333 -2.599 -14.724 21 1HB LEU 4 2HB LEU 4 8.154 -4.742 -16.492 22 2HB LEU 4 1HB LEU 4 7.678 -4.364 -14.847 23 HG LEU 4 HG LEU 4 7.305 -2.574 -17.249 24 1HD1 LEU 4 1HD1 LEU 4 4.933 -3.015 -16.949 25 2HD1 LEU 4 2HD1 LEU 4 5.293 -4.107 -15.611 26 3HD1 LEU 4 3HD1 LEU 4 5.819 -4.512 -17.246 27 1HD2 LEU 4 1HD2 LEU 4 6.440 -2.191 -14.385 28 2HD2 LEU 4 2HD2 LEU 4 6.027 -1.139 -15.740 29 3HD2 LEU 4 3HD2 LEU 4 7.705 -1.286 -15.218 30 H GLN 5 H GLN 5 10.140 -3.923 -13.177 31 HA GLN 5 HA GLN 5 11.283 -6.485 -13.854 32 1HB GLN 5 2HB GLN 5 13.172 -4.957 -14.299 33 2HB GLN 5 1HB GLN 5 13.045 -4.335 -12.659 34 1HG GLN 5 2HG GLN 5 13.592 -6.532 -11.769 35 2HG GLN 5 1HG GLN 5 13.692 -7.179 -13.404 36 1HE2 GLN 5 1HE2 GLN 5 15.182 -5.162 -11.019 37 2HE2 GLN 5 2HE2 GLN 5 16.728 -5.038 -11.794 38 HA PRO 6 HA PRO 6 9.112 -6.525 -9.844 39 1HB PRO 6 2HB PRO 6 9.069 -9.414 -10.463 40 2HB PRO 6 1HB PRO 6 7.737 -8.327 -10.057 41 1HG PRO 6 2HG PRO 6 8.064 -9.242 -12.549 42 2HG PRO 6 1HG PRO 6 7.494 -7.592 -12.235 43 1HD PRO 6 2HD PRO 6 10.228 -8.535 -13.017 44 2HD PRO 6 1HD PRO 6 9.316 -7.121 -13.590 45 H SER 7 H SER 7 9.931 -6.924 -7.856 46 HA SER 7 HA SER 7 12.300 -8.655 -7.699 47 1HB SER 7 2HB SER 7 13.038 -6.328 -7.652 48 2HB SER 7 1HB SER 7 11.923 -5.980 -6.333 49 HG SER 7 HG SER 7 14.137 -6.379 -5.679 50 H ARG 8 H ARG 8 10.536 -6.805 -5.221 51 HA ARG 8 HA ARG 8 10.133 -9.351 -3.806 52 1HB ARG 8 2HB ARG 8 10.917 -6.627 -2.821 53 2HB ARG 8 1HB ARG 8 10.133 -7.773 -1.740 54 1HG ARG 8 2HG ARG 8 11.907 -9.280 -1.851 55 2HG ARG 8 1HG ARG 8 12.573 -8.537 -3.306 56 1HD ARG 8 2HD ARG 8 13.847 -8.080 -1.199 57 2HD ARG 8 1HD ARG 8 13.338 -6.648 -2.086 58 HE ARG 8 HE ARG 8 11.780 -6.166 -0.393 59 1HH1 ARG 8 1HH1 ARG 8 13.598 -9.078 0.303 60 2HH1 ARG 8 2HH1 ARG 8 13.231 -9.060 2.002 61 1HH2 ARG 8 1HH2 ARG 8 11.379 -6.075 1.838 62 2HH2 ARG 8 2HH2 ARG 8 12.013 -7.307 2.892 63 H SER 9 H SER 9 8.270 -9.608 -2.550 64 HA SER 9 HA SER 9 6.056 -7.799 -3.268 65 1HB SER 9 2HB SER 9 5.823 -10.730 -2.561 66 2HB SER 9 1HB SER 9 4.575 -9.689 -3.246 67 HG SER 9 HG SER 9 6.910 -9.801 -4.695 68 H TYR 10 H TYR 10 4.600 -7.217 -1.638 69 HA TYR 10 HA TYR 10 5.465 -7.882 1.105 70 1HB TYR 10 2HB TYR 10 4.705 -5.139 0.063 71 2HB TYR 10 1HB TYR 10 5.055 -5.527 1.743 72 HD1 TYR 10 1HD TYR 10 7.369 -6.254 2.366 73 HD2 TYR 10 2HD TYR 10 6.447 -4.675 -1.478 74 HE1 TYR 10 1HE TYR 10 9.755 -5.809 1.984 75 HE2 TYR 10 2HE TYR 10 8.833 -4.222 -1.870 76 HH TYR 10 HH TYR 10 10.900 -3.816 -0.433 77 H ARG 11 H ARG 11 3.879 -8.200 2.560 78 HA ARG 11 HA ARG 11 1.125 -8.332 1.651 79 1HB ARG 11 2HB ARG 11 2.194 -8.734 4.444 80 2HB ARG 11 1HB ARG 11 0.647 -9.267 3.820 81 1HG ARG 11 2HG ARG 11 3.211 -10.303 2.686 82 2HG ARG 11 1HG ARG 11 2.497 -10.995 4.144 83 1HD ARG 11 2HD ARG 11 0.356 -11.220 2.769 84 2HD ARG 11 1HD ARG 11 1.375 -10.913 1.361 85 HE ARG 11 HE ARG 11 2.575 -12.937 2.866 86 1HH1 ARG 11 1HH1 ARG 11 -0.334 -12.429 0.995 87 2HH1 ARG 11 2HH1 ARG 11 -0.506 -14.098 0.551 88 1HH2 ARG 11 1HH2 ARG 11 2.374 -15.128 2.311 89 2HH2 ARG 11 2HH2 ARG 11 1.048 -15.648 1.310 90 H ILE 12 H ILE 12 -0.567 -7.059 2.473 91 HA ILE 12 HA ILE 12 0.243 -4.724 4.072 92 HB ILE 12 HB ILE 12 -2.424 -5.230 2.711 93 1HG1 ILE 12 2HG1 ILE 12 -0.120 -3.466 1.853 94 2HG1 ILE 12 1HG1 ILE 12 -0.675 -4.925 1.036 95 1HG2 ILE 12 1HG2 ILE 12 -1.318 -2.754 4.033 96 2HG2 ILE 12 2HG2 ILE 12 -2.614 -3.782 4.648 97 3HG2 ILE 12 3HG2 ILE 12 -2.850 -2.857 3.165 98 1HD1 ILE 12 1HD1 ILE 12 -1.444 -2.928 -0.109 99 2HD1 ILE 12 2HD1 ILE 12 -2.244 -2.375 1.361 100 3HD1 ILE 12 3HD1 ILE 12 -2.806 -3.836 0.548 101 H THR 13 H THR 13 0.066 -5.061 6.219 102 HA THR 13 HA THR 13 -1.837 -7.037 7.193 103 HB THR 13 HB THR 13 -0.766 -6.405 9.453 104 HG1 THR 13 1HG THR 13 1.215 -5.372 9.315 105 1HG2 THR 13 1HG2 THR 13 1.187 -7.844 8.985 106 2HG2 THR 13 2HG2 THR 13 0.849 -7.700 7.260 107 3HG2 THR 13 3HG2 THR 13 -0.311 -8.498 8.321 108 H GLY 14 H GLY 14 -1.737 -3.700 6.671 109 1HA GLY 14 2HA GLY 14 -4.325 -3.187 7.298 110 2HA GLY 14 1HA GLY 14 -3.493 -2.977 8.833 111 H TYR 15 H TYR 15 -4.172 -0.780 8.762 112 HA TYR 15 HA TYR 15 -2.608 0.856 6.872 113 1HB TYR 15 2HB TYR 15 -5.154 1.634 8.308 114 2HB TYR 15 1HB TYR 15 -4.298 2.585 7.102 115 HD1 TYR 15 1HD TYR 15 -6.324 -0.471 7.618 116 HD2 TYR 15 2HD TYR 15 -4.649 2.220 4.777 117 HE1 TYR 15 1HE TYR 15 -7.687 -1.500 5.851 118 HE2 TYR 15 2HE TYR 15 -6.009 1.195 3.002 119 HH TYR 15 HH TYR 15 -7.185 -0.820 2.514 120 H SER 16 H SER 16 -1.609 2.721 7.709 121 HA SER 16 HA SER 16 -0.554 2.382 10.319 122 1HB SER 16 2HB SER 16 -0.307 4.664 8.350 123 2HB SER 16 1HB SER 16 0.675 4.448 9.791 124 HG SER 16 HG SER 16 1.436 3.616 7.602 125 HA PRO 17 HA PRO 17 -3.554 4.525 12.770 126 1HB PRO 17 2HB PRO 17 -1.117 5.460 14.216 127 2HB PRO 17 1HB PRO 17 -2.583 4.704 14.853 128 1HG PRO 17 2HG PRO 17 -0.339 3.306 14.627 129 2HG PRO 17 1HG PRO 17 -1.904 2.569 14.232 130 1HD PRO 17 2HD PRO 17 0.235 3.571 12.410 131 2HD PRO 17 1HD PRO 17 -0.834 2.166 12.231 132 H ALA 18 H ALA 18 -4.220 6.612 13.310 133 HA ALA 18 HA ALA 18 -4.538 8.838 13.061 134 1HB ALA 18 1HB ALA 18 -2.198 9.168 13.677 135 2HB ALA 18 2HB ALA 18 -2.726 10.337 12.469 136 3HB ALA 18 3HB ALA 18 -1.723 8.967 11.991 137 H ILE 19 H ILE 19 -4.589 6.673 10.823 138 HA ILE 19 HA ILE 19 -4.679 8.333 8.455 139 HB ILE 19 HB ILE 19 -3.947 5.943 8.340 140 1HG1 ILE 19 2HG1 ILE 19 -6.437 6.554 6.727 141 2HG1 ILE 19 1HG1 ILE 19 -4.820 7.144 6.351 142 1HG2 ILE 19 1HG2 ILE 19 -6.853 5.351 8.899 143 2HG2 ILE 19 2HG2 ILE 19 -5.497 5.002 9.971 144 3HG2 ILE 19 3HG2 ILE 19 -5.633 4.170 8.422 145 1HD1 ILE 19 1HD1 ILE 19 -5.422 5.243 4.964 146 2HD1 ILE 19 2HD1 ILE 19 -5.677 4.260 6.407 147 3HD1 ILE 19 3HD1 ILE 19 -4.064 4.854 6.019 148 H SER 20 H SER 20 -6.557 8.907 7.325 149 HA SER 20 HA SER 20 -8.891 9.323 8.923 150 1HB SER 20 2HB SER 20 -8.070 10.905 7.161 151 2HB SER 20 1HB SER 20 -8.546 9.728 5.939 152 HG SER 20 HG SER 20 -10.083 11.491 6.515 153 H ASN 21 H ASN 21 -10.869 8.310 8.799 154 HA ASN 21 HA ASN 21 -10.886 5.575 8.154 155 1HB ASN 21 2HB ASN 21 -12.365 6.615 9.856 156 2HB ASN 21 1HB ASN 21 -13.277 7.382 8.559 157 1HD2 ASN 21 1HD2 ASN 21 -15.194 6.386 8.839 158 2HD2 ASN 21 2HD2 ASN 21 -15.437 4.675 8.648 159 H GLY 22 H GLY 22 -12.438 8.344 6.534 160 1HA GLY 22 2HA GLY 22 -13.589 6.841 4.435 161 2HA GLY 22 1HA GLY 22 -13.286 8.568 4.409 162 H TYR 23 H TYR 23 -10.406 8.246 4.831 163 HA TYR 23 HA TYR 23 -9.618 7.916 2.101 164 1HB TYR 23 2HB TYR 23 -8.569 9.459 3.880 165 2HB TYR 23 1HB TYR 23 -7.729 8.023 4.449 166 HD1 TYR 23 1HD TYR 23 -8.321 9.959 1.314 167 HD2 TYR 23 2HD TYR 23 -5.631 7.534 3.554 168 HE1 TYR 23 1HE TYR 23 -6.567 10.372 -0.353 169 HE2 TYR 23 2HE TYR 23 -3.875 7.940 1.879 170 HH TYR 23 HH TYR 23 -3.527 8.674 -0.299 171 H ARG 24 H ARG 24 -9.314 6.044 5.055 172 HA ARG 24 HA ARG 24 -7.876 3.838 4.096 173 1HB ARG 24 2HB ARG 24 -8.494 4.306 6.481 174 2HB ARG 24 1HB ARG 24 -10.154 3.885 6.099 175 1HG ARG 24 2HG ARG 24 -9.127 1.639 5.318 176 2HG ARG 24 1HG ARG 24 -7.760 2.130 6.321 177 1HD ARG 24 2HD ARG 24 -10.617 1.696 7.167 178 2HD ARG 24 1HD ARG 24 -9.196 0.788 7.672 179 HE ARG 24 HE ARG 24 -9.202 3.611 8.356 180 1HH1 ARG 24 1HH1 ARG 24 -9.805 0.319 9.376 181 2HH1 ARG 24 2HH1 ARG 24 -9.880 0.718 11.069 182 1HH2 ARG 24 1HH2 ARG 24 -9.287 4.146 10.601 183 2HH2 ARG 24 2HH2 ARG 24 -9.577 2.886 11.757 184 H GLN 25 H GLN 25 -11.336 4.571 4.062 185 HA GLN 25 HA GLN 25 -12.166 2.193 2.809 186 1HB GLN 25 2HB GLN 25 -13.398 4.941 2.906 187 2HB GLN 25 1HB GLN 25 -14.204 3.533 2.256 188 1HG GLN 25 2HG GLN 25 -14.046 2.444 4.448 189 2HG GLN 25 1HG GLN 25 -13.280 3.896 5.091 190 1HE2 GLN 25 1HE2 GLN 25 -14.991 5.627 3.426 191 2HE2 GLN 25 2HE2 GLN 25 -16.538 5.640 4.200 192 H ARG 26 H ARG 26 -11.171 5.339 1.591 193 HA ARG 26 HA ARG 26 -11.734 4.906 -1.127 194 1HB ARG 26 2HB ARG 26 -11.066 7.087 0.111 195 2HB ARG 26 1HB ARG 26 -9.411 6.558 -0.157 196 1HG ARG 26 2HG ARG 26 -9.980 8.071 -1.894 197 2HG ARG 26 1HG ARG 26 -9.924 6.452 -2.598 198 1HD ARG 26 2HD ARG 26 -12.362 6.295 -2.399 199 2HD ARG 26 1HD ARG 26 -12.408 7.924 -1.727 200 HE ARG 26 HE ARG 26 -11.453 7.339 -4.462 201 1HH1 ARG 26 1HH1 ARG 26 -13.246 9.303 -2.179 202 2HH1 ARG 26 2HH1 ARG 26 -13.842 10.399 -3.389 203 1HH2 ARG 26 1HH2 ARG 26 -12.211 8.799 -6.061 204 2HH2 ARG 26 2HH2 ARG 26 -13.272 10.104 -5.599 205 H LEU 27 H LEU 27 -8.906 4.220 0.864 206 HA LEU 27 HA LEU 27 -7.243 3.268 -1.229 207 1HB LEU 27 2HB LEU 27 -7.262 2.688 1.739 208 2HB LEU 27 1HB LEU 27 -6.000 2.151 0.655 209 HG LEU 27 HG LEU 27 -6.694 5.039 1.196 210 1HD1 LEU 27 1HD1 LEU 27 -4.580 5.093 2.429 211 2HD1 LEU 27 2HD1 LEU 27 -4.395 3.355 2.182 212 3HD1 LEU 27 3HD1 LEU 27 -5.731 3.972 3.156 213 1HD2 LEU 27 1HD2 LEU 27 -4.577 5.494 0.033 214 2HD2 LEU 27 2HD2 LEU 27 -5.772 4.738 -1.019 215 3HD2 LEU 27 3HD2 LEU 27 -4.442 3.781 -0.365 216 H PHE 28 H PHE 28 -9.397 1.682 1.069 217 HA PHE 28 HA PHE 28 -9.095 -0.971 0.289 218 1HB PHE 28 2HB PHE 28 -10.461 0.037 2.218 219 2HB PHE 28 1HB PHE 28 -11.749 0.250 1.042 220 HD1 PHE 28 1HD PHE 28 -12.595 -1.825 -0.178 221 HD2 PHE 28 2HD PHE 28 -10.174 -1.990 3.317 222 HE1 PHE 28 1HE PHE 28 -13.345 -4.133 0.229 223 HE2 PHE 28 2HE PHE 28 -10.918 -4.296 3.729 224 HZ PHE 28 HZ PHE 28 -12.503 -5.372 2.183 225 H SER 29 H SER 29 -11.339 1.487 -0.947 226 HA SER 29 HA SER 29 -12.625 -0.097 -2.865 227 1HB SER 29 2HB SER 29 -12.102 2.884 -2.898 228 2HB SER 29 1HB SER 29 -13.280 2.043 -3.902 229 HG SER 29 HG SER 29 -13.863 1.261 -1.513 230 H MET 30 H MET 30 -9.619 1.695 -2.978 231 HA MET 30 HA MET 30 -9.323 1.394 -5.821 232 1HB MET 30 2HB MET 30 -7.551 2.473 -3.652 233 2HB MET 30 1HB MET 30 -6.950 2.246 -5.285 234 1HG MET 30 2HG MET 30 -8.827 3.684 -6.087 235 2HG MET 30 1HG MET 30 -9.208 4.018 -4.401 236 1HE MET 30 1HE MET 30 -6.366 4.199 -3.040 237 2HE MET 30 2HE MET 30 -7.639 5.389 -2.760 238 3HE MET 30 3HE MET 30 -6.012 5.919 -3.188 239 H GLY 31 H GLY 31 -8.672 -0.581 -3.126 240 1HA GLY 31 2HA GLY 31 -8.312 -2.931 -3.724 241 2HA GLY 31 1HA GLY 31 -7.149 -2.380 -4.917 242 H LEU 32 H LEU 32 -6.844 -0.550 -2.154 243 HA LEU 32 HA LEU 32 -4.540 -2.153 -1.307 244 1HB LEU 32 2HB LEU 32 -5.246 0.712 -0.649 245 2HB LEU 32 1HB LEU 32 -3.781 -0.119 -0.161 246 HG LEU 32 HG LEU 32 -4.562 0.469 -3.019 247 1HD1 LEU 32 1HD1 LEU 32 -4.036 2.504 -1.790 248 2HD1 LEU 32 2HD1 LEU 32 -2.767 2.122 -2.955 249 3HD1 LEU 32 3HD1 LEU 32 -2.520 1.791 -1.240 250 1HD2 LEU 32 1HD2 LEU 32 -2.260 -0.215 -3.524 251 2HD2 LEU 32 2HD2 LEU 32 -3.192 -1.533 -2.815 252 3HD2 LEU 32 3HD2 LEU 32 -2.024 -0.651 -1.831 253 H LEU 33 H LEU 33 -5.654 -3.695 -0.095 254 HA LEU 33 HA LEU 33 -6.810 -2.698 2.409 255 1HB LEU 33 2HB LEU 33 -8.504 -4.422 2.339 256 2HB LEU 33 1HB LEU 33 -8.620 -3.411 0.918 257 HG LEU 33 HG LEU 33 -7.146 -6.023 0.794 258 1HD1 LEU 33 1HD1 LEU 33 -9.234 -7.099 0.088 259 2HD1 LEU 33 2HD1 LEU 33 -10.123 -5.629 0.489 260 3HD1 LEU 33 3HD1 LEU 33 -9.319 -6.548 1.761 261 1HD2 LEU 33 1HD2 LEU 33 -8.699 -4.415 -1.234 262 2HD2 LEU 33 2HD2 LEU 33 -7.849 -5.928 -1.546 263 3HD2 LEU 33 3HD2 LEU 33 -6.941 -4.486 -1.092 264 HA PRO 34 HA PRO 34 -4.201 -5.570 4.541 265 1HB PRO 34 2HB PRO 34 -5.973 -6.625 6.376 266 2HB PRO 34 1HB PRO 34 -5.140 -5.079 6.563 267 1HG PRO 34 2HG PRO 34 -7.922 -5.636 5.628 268 2HG PRO 34 1HG PRO 34 -7.329 -4.332 6.673 269 1HD PRO 34 2HD PRO 34 -7.909 -3.922 4.079 270 2HD PRO 34 1HD PRO 34 -6.572 -3.076 4.885 271 H GLY 35 H GLY 35 -3.535 -7.476 3.804 272 1HA GLY 35 2HA GLY 35 -3.914 -9.875 3.610 273 2HA GLY 35 1HA GLY 35 -5.561 -9.511 3.106 274 H ALA 36 H ALA 36 -4.255 -7.202 1.510 275 HA ALA 36 HA ALA 36 -3.856 -8.787 -0.895 276 1HB ALA 36 1HB ALA 36 -5.434 -6.925 -1.005 277 2HB ALA 36 2HB ALA 36 -4.068 -6.654 -2.086 278 3HB ALA 36 3HB ALA 36 -4.156 -5.801 -0.545 279 H ALA 37 H ALA 37 -1.857 -9.431 -1.231 280 HA ALA 37 HA ALA 37 0.420 -7.825 -0.412 281 1HB ALA 37 1HB ALA 37 1.765 -9.737 -1.056 282 2HB ALA 37 2HB ALA 37 0.351 -10.519 -1.760 283 3HB ALA 37 3HB ALA 37 0.432 -10.247 -0.019 284 H LEU 38 H LEU 38 1.526 -6.537 -1.715 285 HA LEU 38 HA LEU 38 0.954 -6.606 -4.598 286 1HB LEU 38 2HB LEU 38 2.165 -4.427 -2.896 287 2HB LEU 38 1HB LEU 38 1.963 -4.333 -4.630 288 HG LEU 38 HG LEU 38 0.220 -3.068 -3.700 289 1HD1 LEU 38 1HD1 LEU 38 -0.508 -4.455 -5.534 290 2HD1 LEU 38 2HD1 LEU 38 -1.811 -4.268 -4.360 291 3HD1 LEU 38 3HD1 LEU 38 -0.888 -5.769 -4.421 292 1HD2 LEU 38 1HD2 LEU 38 -0.404 -5.386 -1.885 293 2HD2 LEU 38 2HD2 LEU 38 -1.327 -3.887 -1.999 294 3HD2 LEU 38 3HD2 LEU 38 0.335 -3.855 -1.411 295 H ARG 39 H ARG 39 2.538 -6.752 -6.076 296 HA ARG 39 HA ARG 39 5.218 -7.472 -5.099 297 1HB ARG 39 2HB ARG 39 4.289 -9.244 -6.398 298 2HB ARG 39 1HB ARG 39 3.720 -8.134 -7.635 299 1HG ARG 39 2HG ARG 39 6.002 -7.694 -8.328 300 2HG ARG 39 1HG ARG 39 6.610 -8.742 -7.044 301 1HD ARG 39 2HD ARG 39 4.738 -9.685 -9.207 302 2HD ARG 39 1HD ARG 39 6.494 -9.782 -9.337 303 HE ARG 39 HE ARG 39 6.374 -11.180 -7.254 304 1HH1 ARG 39 1HH1 ARG 39 3.596 -10.954 -9.401 305 2HH1 ARG 39 2HH1 ARG 39 3.019 -12.544 -8.996 306 1HH2 ARG 39 1HH2 ARG 39 5.601 -13.238 -6.721 307 2HH2 ARG 39 2HH2 ARG 39 4.147 -13.843 -7.467 308 H VAL 40 H VAL 40 6.846 -6.034 -5.436 309 HA VAL 40 HA VAL 40 6.285 -3.540 -6.677 310 HB VAL 40 HB VAL 40 7.979 -3.970 -4.824 311 1HG1 VAL 40 1HG1 VAL 40 10.238 -4.508 -5.413 312 2HG1 VAL 40 2HG1 VAL 40 9.797 -4.664 -7.112 313 3HG1 VAL 40 3HG1 VAL 40 9.170 -5.813 -5.932 314 1HG2 VAL 40 1HG2 VAL 40 8.795 -2.323 -7.212 315 2HG2 VAL 40 2HG2 VAL 40 9.444 -2.146 -5.581 316 3HG2 VAL 40 3HG2 VAL 40 7.740 -1.813 -5.893 317 H VAL 41 H VAL 41 6.387 -2.942 -8.728 318 HA VAL 41 HA VAL 41 7.604 -4.832 -10.630 319 HB VAL 41 HB VAL 41 5.650 -2.618 -11.259 320 1HG1 VAL 41 1HG1 VAL 41 6.998 -3.376 -13.141 321 2HG1 VAL 41 2HG1 VAL 41 5.308 -3.839 -13.330 322 3HG1 VAL 41 3HG1 VAL 41 6.502 -5.040 -12.834 323 1HG2 VAL 41 1HG2 VAL 41 4.610 -4.200 -9.742 324 2HG2 VAL 41 2HG2 VAL 41 5.111 -5.541 -10.770 325 3HG2 VAL 41 3HG2 VAL 41 3.937 -4.365 -11.363 326 H ARG 42 H ARG 42 7.518 -1.387 -9.771 327 HA ARG 42 HA ARG 42 10.170 -1.061 -10.866 328 1HB ARG 42 2HB ARG 42 8.599 -0.730 -12.836 329 2HB ARG 42 1HB ARG 42 7.990 0.694 -12.001 330 1HG ARG 42 2HG ARG 42 10.478 1.413 -11.925 331 2HG ARG 42 1HG ARG 42 10.681 0.222 -13.211 332 1HD ARG 42 2HD ARG 42 8.856 2.619 -13.224 333 2HD ARG 42 1HD ARG 42 10.319 2.401 -14.178 334 HE ARG 42 HE ARG 42 8.557 0.313 -14.777 335 1HH1 ARG 42 1HH1 ARG 42 8.881 3.760 -15.219 336 2HH1 ARG 42 2HH1 ARG 42 7.850 3.811 -16.620 337 1HH2 ARG 42 1HH2 ARG 42 7.194 0.377 -16.652 338 2HH2 ARG 42 2HH2 ARG 42 6.903 1.903 -17.431 339 H ILE 43 H ILE 43 11.221 0.166 -9.434 340 HA ILE 43 HA ILE 43 9.711 1.998 -7.714 341 HB ILE 43 HB ILE 43 12.622 1.211 -7.464 342 1HG1 ILE 43 2HG1 ILE 43 11.617 -0.091 -5.414 343 2HG1 ILE 43 1HG1 ILE 43 10.142 -0.072 -6.372 344 1HG2 ILE 43 1HG2 ILE 43 12.074 3.312 -6.375 345 2HG2 ILE 43 2HG2 ILE 43 12.409 2.065 -5.174 346 3HG2 ILE 43 3HG2 ILE 43 10.744 2.540 -5.510 347 1HD1 ILE 43 1HD1 ILE 43 11.364 -2.134 -6.699 348 2HD1 ILE 43 2HD1 ILE 43 12.789 -1.232 -7.212 349 3HD1 ILE 43 3HD1 ILE 43 11.323 -1.201 -8.194 350 H ALA 44 H ALA 44 9.822 4.154 -7.992 351 HA ALA 44 HA ALA 44 11.472 5.290 -10.040 352 1HB ALA 44 1HB ALA 44 9.257 6.219 -9.550 353 2HB ALA 44 2HB ALA 44 10.516 7.434 -9.337 354 3HB ALA 44 3HB ALA 44 9.798 6.653 -7.929 355 HA PRO 45 HA PRO 45 15.146 5.699 -7.668 356 1HB PRO 45 2HB PRO 45 15.798 8.012 -9.382 357 2HB PRO 45 1HB PRO 45 16.658 6.484 -9.182 358 1HG PRO 45 2HG PRO 45 15.289 7.020 -11.415 359 2HG PRO 45 1HG PRO 45 15.339 5.383 -10.730 360 1HD PRO 45 2HD PRO 45 13.168 7.443 -10.568 361 2HD PRO 45 1HD PRO 45 13.041 5.690 -10.832 362 H LEU 46 H LEU 46 12.757 8.053 -7.683 363 HA LEU 46 HA LEU 46 14.252 9.958 -6.057 364 1HB LEU 46 2HB LEU 46 11.458 10.008 -7.189 365 2HB LEU 46 1HB LEU 46 12.064 11.237 -6.099 366 HG LEU 46 HG LEU 46 13.894 11.661 -7.819 367 1HD1 LEU 46 1HD1 LEU 46 12.017 10.069 -9.559 368 2HD1 LEU 46 2HD1 LEU 46 13.656 9.602 -9.104 369 3HD1 LEU 46 3HD1 LEU 46 13.393 11.020 -10.119 370 1HD2 LEU 46 1HD2 LEU 46 11.016 12.208 -8.514 371 2HD2 LEU 46 2HD2 LEU 46 12.405 13.041 -9.211 372 3HD2 LEU 46 3HD2 LEU 46 12.060 13.194 -7.489 373 H GLY 47 H GLY 47 12.152 7.291 -5.669 374 1HA GLY 47 2HA GLY 47 11.520 6.349 -3.588 375 2HA GLY 47 1HA GLY 47 11.792 7.909 -2.823 376 H ASP 48 H ASP 48 10.344 9.108 -5.177 377 HA ASP 48 HA ASP 48 7.673 9.079 -4.215 378 1HB ASP 48 2HB ASP 48 9.212 10.495 -6.250 379 2HB ASP 48 1HB ASP 48 7.581 10.109 -6.795 380 HA PRO 49 HA PRO 49 5.067 6.250 -5.437 381 1HB PRO 49 2HB PRO 49 4.374 6.580 -8.206 382 2HB PRO 49 1HB PRO 49 3.400 6.907 -6.774 383 1HG PRO 49 2HG PRO 49 5.060 8.750 -8.380 384 2HG PRO 49 1HG PRO 49 3.641 9.096 -7.373 385 1HD PRO 49 2HD PRO 49 6.075 9.826 -6.582 386 2HD PRO 49 1HD PRO 49 4.907 9.171 -5.410 387 H ILE 50 H ILE 50 4.869 4.217 -6.137 388 HA ILE 50 HA ILE 50 7.072 3.201 -7.799 389 HB ILE 50 HB ILE 50 6.006 1.997 -5.232 390 1HG1 ILE 50 2HG1 ILE 50 8.703 3.232 -5.836 391 2HG1 ILE 50 1HG1 ILE 50 7.432 3.982 -4.872 392 1HG2 ILE 50 1HG2 ILE 50 8.220 1.060 -7.046 393 2HG2 ILE 50 2HG2 ILE 50 6.650 0.285 -6.831 394 3HG2 ILE 50 3HG2 ILE 50 7.794 0.348 -5.489 395 1HD1 ILE 50 1HD1 ILE 50 8.883 1.427 -4.198 396 2HD1 ILE 50 2HD1 ILE 50 7.629 2.196 -3.225 397 3HD1 ILE 50 3HD1 ILE 50 9.173 3.010 -3.475 398 H GLN 51 H GLN 51 6.505 1.739 -9.293 399 HA GLN 51 HA GLN 51 3.721 1.148 -9.666 400 1HB GLN 51 2HB GLN 51 6.230 0.454 -11.182 401 2HB GLN 51 1HB GLN 51 4.679 -0.239 -11.606 402 1HG GLN 51 2HG GLN 51 5.010 1.588 -13.044 403 2HG GLN 51 1HG GLN 51 3.812 2.102 -11.860 404 1HE2 GLN 51 1HE2 GLN 51 4.336 3.698 -10.384 405 2HE2 GLN 51 2HE2 GLN 51 5.751 4.680 -10.533 406 H VAL 52 H VAL 52 2.711 -0.527 -8.806 407 HA VAL 52 HA VAL 52 4.267 -2.905 -8.049 408 HB VAL 52 HB VAL 52 2.853 -3.172 -6.043 409 1HG1 VAL 52 1HG1 VAL 52 4.329 -0.546 -6.141 410 2HG1 VAL 52 2HG1 VAL 52 5.048 -2.130 -5.848 411 3HG1 VAL 52 3HG1 VAL 52 3.912 -1.448 -4.684 412 1HG2 VAL 52 1HG2 VAL 52 0.904 -1.898 -6.785 413 2HG2 VAL 52 2HG2 VAL 52 1.842 -0.405 -6.711 414 3HG2 VAL 52 3HG2 VAL 52 1.495 -1.304 -5.234 415 H GLU 53 H GLU 53 2.903 -4.833 -7.751 416 HA GLU 53 HA GLU 53 0.842 -4.872 -9.850 417 1HB GLU 53 2HB GLU 53 2.809 -6.089 -10.507 418 2HB GLU 53 1HB GLU 53 2.854 -6.947 -8.974 419 1HG GLU 53 2HG GLU 53 0.755 -8.071 -9.564 420 2HG GLU 53 1HG GLU 53 0.762 -7.229 -11.115 421 H THR 54 H THR 54 -1.142 -5.542 -9.322 422 HA THR 54 HA THR 54 -1.500 -6.794 -6.690 423 HB THR 54 HB THR 54 -2.799 -4.747 -7.001 424 HG1 THR 54 1HG THR 54 -3.681 -6.684 -5.865 425 1HG2 THR 54 1HG2 THR 54 -4.632 -4.642 -8.638 426 2HG2 THR 54 2HG2 THR 54 -4.111 -6.186 -9.309 427 3HG2 THR 54 3HG2 THR 54 -3.060 -4.774 -9.425 428 H ARG 55 H ARG 55 -2.101 -7.167 -10.111 429 HA ARG 55 HA ARG 55 -2.354 -10.019 -9.782 430 1HB ARG 55 2HB ARG 55 -4.628 -8.324 -10.735 431 2HB ARG 55 1HB ARG 55 -4.386 -9.912 -11.439 432 1HG ARG 55 2HG ARG 55 -4.392 -10.759 -9.011 433 2HG ARG 55 1HG ARG 55 -5.115 -9.191 -8.630 434 1HD ARG 55 2HD ARG 55 -6.782 -10.995 -9.052 435 2HD ARG 55 1HD ARG 55 -6.945 -9.606 -10.130 436 HE ARG 55 HE ARG 55 -5.277 -11.686 -11.205 437 1HH1 ARG 55 1HH1 ARG 55 -8.610 -10.721 -10.759 438 2HH1 ARG 55 2HH1 ARG 55 -9.167 -11.508 -12.209 439 1HH2 ARG 55 1HH2 ARG 55 -5.986 -12.698 -13.111 440 2HH2 ARG 55 2HH2 ARG 55 -7.665 -12.631 -13.554 441 H GLN 56 H GLN 56 -3.577 -8.198 -12.510 442 HA GLN 56 HA GLN 56 -1.301 -9.164 -14.117 443 1HB GLN 56 2HB GLN 56 -4.224 -8.949 -14.633 444 2HB GLN 56 1HB GLN 56 -3.149 -8.638 -15.983 445 1HG GLN 56 2HG GLN 56 -3.947 -10.950 -15.928 446 2HG GLN 56 1HG GLN 56 -2.195 -10.842 -15.792 447 1HE2 GLN 56 1HE2 GLN 56 -1.200 -11.526 -13.953 448 2HE2 GLN 56 2HE2 GLN 56 -2.015 -12.369 -12.683 449 H THR 57 H THR 57 -2.370 -6.461 -12.668 450 HA THR 57 HA THR 57 -1.294 -4.740 -14.780 451 HB THR 57 HB THR 57 -3.766 -4.568 -14.817 452 HG1 THR 57 1HG THR 57 -3.741 -2.363 -14.940 453 1HG2 THR 57 1HG2 THR 57 -4.236 -5.018 -12.465 454 2HG2 THR 57 2HG2 THR 57 -4.928 -3.469 -12.948 455 3HG2 THR 57 3HG2 THR 57 -3.440 -3.515 -12.003 456 H SER 58 H SER 58 -0.406 -2.741 -14.030 457 HA SER 58 HA SER 58 0.622 -2.959 -11.292 458 1HB SER 58 2HB SER 58 1.747 -1.286 -13.538 459 2HB SER 58 1HB SER 58 2.534 -1.724 -12.023 460 HG SER 58 HG SER 58 1.894 -3.997 -13.101 461 H LEU 59 H LEU 59 0.395 -1.323 -9.866 462 HA LEU 59 HA LEU 59 -1.092 1.070 -10.745 463 1HB LEU 59 2HB LEU 59 -1.237 -0.451 -8.144 464 2HB LEU 59 1HB LEU 59 -1.839 1.183 -8.310 465 HG LEU 59 HG LEU 59 -3.350 0.280 -10.163 466 1HD1 LEU 59 1HD1 LEU 59 -2.589 -2.343 -8.889 467 2HD1 LEU 59 2HD1 LEU 59 -2.196 -1.836 -10.532 468 3HD1 LEU 59 3HD1 LEU 59 -3.878 -2.096 -10.069 469 1HD2 LEU 59 1HD2 LEU 59 -3.752 -0.677 -7.334 470 2HD2 LEU 59 2HD2 LEU 59 -5.014 -0.509 -8.555 471 3HD2 LEU 59 3HD2 LEU 59 -4.165 0.919 -7.960 472 H ALA 60 H ALA 60 -0.760 2.902 -9.032 473 HA ALA 60 HA ALA 60 1.985 2.933 -8.026 474 1HB ALA 60 1HB ALA 60 2.474 5.064 -9.084 475 2HB ALA 60 2HB ALA 60 0.893 5.056 -9.866 476 3HB ALA 60 3HB ALA 60 2.098 3.844 -10.303 477 H LEU 61 H LEU 61 2.269 4.195 -6.251 478 HA LEU 61 HA LEU 61 0.164 6.036 -5.431 479 1HB LEU 61 2HB LEU 61 0.216 5.044 -3.115 480 2HB LEU 61 1HB LEU 61 -0.579 4.067 -4.330 481 HG LEU 61 HG LEU 61 1.810 2.948 -4.476 482 1HD1 LEU 61 1HD1 LEU 61 2.918 4.411 -2.912 483 2HD1 LEU 61 2HD1 LEU 61 2.850 2.771 -2.266 484 3HD1 LEU 61 3HD1 LEU 61 1.742 4.003 -1.662 485 1HD2 LEU 61 1HD2 LEU 61 -0.195 2.380 -2.302 486 2HD2 LEU 61 2HD2 LEU 61 1.050 1.262 -2.862 487 3HD2 LEU 61 3HD2 LEU 61 -0.238 1.767 -3.955 488 H ARG 62 H ARG 62 0.887 7.579 -3.839 489 HA ARG 62 HA ARG 62 3.625 8.311 -4.301 490 1HB ARG 62 2HB ARG 62 1.468 9.525 -2.580 491 2HB ARG 62 1HB ARG 62 3.094 10.182 -2.677 492 1HG ARG 62 2HG ARG 62 1.409 9.775 -5.108 493 2HG ARG 62 1HG ARG 62 1.297 11.229 -4.121 494 1HD ARG 62 2HD ARG 62 3.680 11.658 -4.494 495 2HD ARG 62 1HD ARG 62 3.783 10.199 -5.481 496 HE ARG 62 HE ARG 62 1.788 11.703 -6.619 497 1HH1 ARG 62 1HH1 ARG 62 5.200 12.206 -5.922 498 2HH1 ARG 62 2HH1 ARG 62 5.414 13.306 -7.252 499 1HH2 ARG 62 1HH2 ARG 62 2.091 13.115 -8.360 500 2HH2 ARG 62 2HH2 ARG 62 3.656 13.827 -8.641 501 H ARG 63 H ARG 63 4.869 9.172 -2.347 502 HA ARG 63 HA ARG 63 5.497 6.920 -0.710 503 1HB ARG 63 2HB ARG 63 7.166 8.393 0.351 504 2HB ARG 63 1HB ARG 63 7.256 8.418 -1.400 505 1HG ARG 63 2HG ARG 63 6.102 10.557 -1.448 506 2HG ARG 63 1HG ARG 63 5.986 10.534 0.314 507 1HD ARG 63 2HD ARG 63 8.413 10.510 0.488 508 2HD ARG 63 1HD ARG 63 8.552 10.485 -1.268 509 HE ARG 63 HE ARG 63 7.348 12.726 -1.128 510 1HH1 ARG 63 1HH1 ARG 63 9.414 11.506 1.411 511 2HH1 ARG 63 2HH1 ARG 63 9.958 13.078 1.915 512 1HH2 ARG 63 1HH2 ARG 63 8.040 14.814 -0.467 513 2HH2 ARG 63 2HH2 ARG 63 9.171 14.964 0.851 514 H LYS 64 H LYS 64 3.752 9.896 -0.257 515 HA LYS 64 HA LYS 64 3.238 9.798 2.476 516 1HB LYS 64 2HB LYS 64 2.635 11.671 0.920 517 2HB LYS 64 1HB LYS 64 1.320 10.686 0.303 518 1HG LYS 64 2HG LYS 64 1.498 11.330 3.220 519 2HG LYS 64 1HG LYS 64 0.830 12.493 2.079 520 1HD LYS 64 2HD LYS 64 -0.203 9.695 2.037 521 2HD LYS 64 1HD LYS 64 -0.711 10.760 3.345 522 1HE LYS 64 2HE LYS 64 -2.353 10.917 1.627 523 2HE LYS 64 1HE LYS 64 -1.427 12.414 1.600 524 1HZ LYS 64 1HZ LYS 64 -0.140 11.489 -0.271 525 2HZ LYS 64 2HZ LYS 64 -1.787 11.657 -0.620 526 3HZ LYS 64 3HZ LYS 64 -1.154 10.121 -0.280 527 H ASP 65 H ASP 65 1.501 8.272 -0.214 528 HA ASP 65 HA ASP 65 -0.531 7.107 1.378 529 1HB ASP 65 2HB ASP 65 0.428 6.162 -1.327 530 2HB ASP 65 1HB ASP 65 -1.161 5.923 -0.614 531 H LEU 66 H LEU 66 2.566 6.026 0.143 532 HA LEU 66 HA LEU 66 2.476 3.344 0.904 533 1HB LEU 66 2HB LEU 66 4.206 4.376 -0.537 534 2HB LEU 66 1HB LEU 66 4.863 5.196 0.866 535 HG LEU 66 HG LEU 66 5.320 2.930 1.864 536 1HD1 LEU 66 1HD1 LEU 66 4.621 2.022 -0.925 537 2HD1 LEU 66 2HD1 LEU 66 3.759 1.616 0.559 538 3HD1 LEU 66 3HD1 LEU 66 5.404 1.031 0.306 539 1HD2 LEU 66 1HD2 LEU 66 7.063 4.282 0.801 540 2HD2 LEU 66 2HD2 LEU 66 6.667 3.561 -0.759 541 3HD2 LEU 66 3HD2 LEU 66 7.325 2.558 0.534 542 H ALA 67 H ALA 67 3.316 6.230 2.739 543 HA ALA 67 HA ALA 67 4.283 4.850 5.027 544 1HB ALA 67 1HB ALA 67 4.235 7.004 6.120 545 2HB ALA 67 2HB ALA 67 3.209 7.659 4.843 546 3HB ALA 67 3HB ALA 67 4.867 7.181 4.483 547 H LEU 68 H LEU 68 1.127 5.694 3.889 548 HA LEU 68 HA LEU 68 -0.117 5.470 6.491 549 1HB LEU 68 2HB LEU 68 -1.296 5.786 3.733 550 2HB LEU 68 1HB LEU 68 -2.236 5.756 5.212 551 HG LEU 68 HG LEU 68 -0.183 7.832 4.448 552 1HD1 LEU 68 1HD1 LEU 68 -2.275 8.003 3.207 553 2HD1 LEU 68 2HD1 LEU 68 -2.095 9.336 4.348 554 3HD1 LEU 68 3HD1 LEU 68 -3.180 7.996 4.720 555 1HD2 LEU 68 1HD2 LEU 68 -1.916 7.628 6.907 556 2HD2 LEU 68 2HD2 LEU 68 -0.899 9.003 6.474 557 3HD2 LEU 68 3HD2 LEU 68 -0.163 7.445 6.848 558 H LEU 69 H LEU 69 0.937 3.298 4.166 559 HA LEU 69 HA LEU 69 -1.070 1.298 4.949 560 1HB LEU 69 2HB LEU 69 1.001 1.244 2.749 561 2HB LEU 69 1HB LEU 69 -0.121 -0.054 3.101 562 HG LEU 69 HG LEU 69 -0.909 2.718 2.190 563 1HD1 LEU 69 1HD1 LEU 69 -1.491 1.616 0.080 564 2HD1 LEU 69 2HD1 LEU 69 -0.831 0.100 0.694 565 3HD1 LEU 69 3HD1 LEU 69 0.232 1.482 0.432 566 1HD2 LEU 69 1HD2 LEU 69 -3.135 1.739 1.919 567 2HD2 LEU 69 2HD2 LEU 69 -2.601 1.663 3.598 568 3HD2 LEU 69 3HD2 LEU 69 -2.549 0.217 2.590 569 H THR 70 H THR 70 -0.532 -0.358 6.290 570 HA THR 70 HA THR 70 2.231 -0.513 7.202 571 HB THR 70 HB THR 70 -0.065 -2.224 8.113 572 HG1 THR 70 1HG THR 70 0.252 0.417 8.427 573 1HG2 THR 70 1HG2 THR 70 2.534 -1.435 9.424 574 2HG2 THR 70 2HG2 THR 70 2.156 -3.017 8.741 575 3HG2 THR 70 3HG2 THR 70 1.280 -2.436 10.158 576 H LEU 71 H LEU 71 3.601 -1.758 6.179 577 HA LEU 71 HA LEU 71 2.559 -4.033 4.628 578 1HB LEU 71 2HB LEU 71 4.940 -2.295 3.965 579 2HB LEU 71 1HB LEU 71 4.326 -3.621 2.999 580 HG LEU 71 HG LEU 71 2.852 -1.042 3.546 581 1HD1 LEU 71 1HD1 LEU 71 4.784 -0.711 2.103 582 2HD1 LEU 71 2HD1 LEU 71 3.282 -0.559 1.190 583 3HD1 LEU 71 3HD1 LEU 71 4.247 -2.031 1.063 584 1HD2 LEU 71 1HD2 LEU 71 2.180 -3.369 1.749 585 2HD2 LEU 71 2HD2 LEU 71 1.294 -1.848 1.840 586 3HD2 LEU 71 3HD2 LEU 71 1.342 -2.924 3.236 587 H VAL 72 H VAL 72 3.426 -5.957 5.021 588 HA VAL 72 HA VAL 72 6.068 -6.042 6.329 589 HB VAL 72 HB VAL 72 5.427 -8.179 7.392 590 1HG1 VAL 72 1HG1 VAL 72 3.937 -7.249 9.107 591 2HG1 VAL 72 2HG1 VAL 72 3.621 -5.864 8.061 592 3HG1 VAL 72 3HG1 VAL 72 5.247 -6.148 8.683 593 1HG2 VAL 72 1HG2 VAL 72 3.083 -8.864 7.481 594 2HG2 VAL 72 2HG2 VAL 72 3.694 -8.879 5.826 595 3HG2 VAL 72 3HG2 VAL 72 2.658 -7.561 6.372 596 HA PRO 73 HA PRO 73 7.191 -8.082 2.601 597 1HB PRO 73 2HB PRO 73 9.566 -9.146 3.388 598 2HB PRO 73 1HB PRO 73 9.352 -7.429 3.033 599 1HG PRO 73 2HG PRO 73 9.391 -8.827 5.679 600 2HG PRO 73 1HG PRO 73 10.146 -7.291 5.214 601 1HD PRO 73 2HD PRO 73 7.822 -7.416 6.593 602 2HD PRO 73 1HD PRO 73 8.180 -6.114 5.441 603 H LEU 74 H LEU 74 7.526 -10.188 1.707 604 HA LEU 74 HA LEU 74 6.271 -12.357 3.000 605 1HB LEU 74 2HB LEU 74 8.165 -12.330 0.649 606 2HB LEU 74 1HB LEU 74 7.190 -13.695 1.135 607 HG LEU 74 HG LEU 74 6.161 -11.057 0.108 608 1HD1 LEU 74 1HD1 LEU 74 7.145 -12.442 -1.625 609 2HD1 LEU 74 2HD1 LEU 74 5.390 -12.404 -1.791 610 3HD1 LEU 74 3HD1 LEU 74 6.179 -13.820 -1.097 611 1HD2 LEU 74 1HD2 LEU 74 3.956 -12.125 0.167 612 2HD2 LEU 74 2HD2 LEU 74 4.654 -11.975 1.780 613 3HD2 LEU 74 3HD2 LEU 74 4.668 -13.534 0.954 614 H ASP 75 H ASP 75 9.353 -11.042 3.311 615 HA ASP 75 HA ASP 75 11.188 -11.541 4.516 616 1HB ASP 75 2HB ASP 75 9.695 -12.338 6.288 617 2HB ASP 75 1HB ASP 75 9.600 -13.917 5.513 Start of MODEL 13 1 HA MET 1 HA MET 1 6.756 -2.407 -23.086 2 1HB MET 1 2HB MET 1 7.905 -0.508 -24.375 3 2HB MET 1 1HB MET 1 7.990 0.337 -22.839 4 1HG MET 1 2HG MET 1 9.166 -2.394 -23.270 5 2HG MET 1 1HG MET 1 10.058 -0.902 -23.553 6 1HE MET 1 1HE MET 1 11.935 -1.801 -21.865 7 2HE MET 1 2HE MET 1 10.982 -3.259 -21.594 8 3HE MET 1 3HE MET 1 11.581 -2.330 -20.221 9 H SER 2 H SER 2 5.951 -3.128 -21.194 10 HA SER 2 HA SER 2 6.016 -1.302 -18.895 11 1HB SER 2 2HB SER 2 3.877 -2.533 -19.412 12 2HB SER 2 1HB SER 2 4.723 -4.038 -19.058 13 HG SER 2 HG SER 2 3.608 -3.295 -17.222 14 H ALA 3 H ALA 3 7.882 -1.364 -17.838 15 HA ALA 3 HA ALA 3 9.473 -3.821 -17.875 16 1HB ALA 3 1HB ALA 3 10.237 -1.067 -16.921 17 2HB ALA 3 2HB ALA 3 10.561 -1.724 -18.527 18 3HB ALA 3 3HB ALA 3 11.312 -2.454 -17.109 19 H LEU 4 H LEU 4 8.628 -5.153 -16.342 20 HA LEU 4 HA LEU 4 8.359 -4.135 -13.613 21 1HB LEU 4 2HB LEU 4 7.611 -6.801 -14.831 22 2HB LEU 4 1HB LEU 4 7.475 -6.442 -13.124 23 HG LEU 4 HG LEU 4 5.938 -4.499 -13.876 24 1HD1 LEU 4 1HD1 LEU 4 4.709 -4.960 -15.951 25 2HD1 LEU 4 2HD1 LEU 4 5.852 -6.251 -16.324 26 3HD1 LEU 4 3HD1 LEU 4 6.406 -4.580 -16.241 27 1HD2 LEU 4 1HD2 LEU 4 5.057 -7.370 -14.121 28 2HD2 LEU 4 2HD2 LEU 4 4.001 -5.983 -13.846 29 3HD2 LEU 4 3HD2 LEU 4 5.189 -6.444 -12.626 30 H GLN 5 H GLN 5 9.997 -4.330 -12.246 31 HA GLN 5 HA GLN 5 11.893 -6.546 -12.660 32 1HB GLN 5 2HB GLN 5 12.835 -4.269 -13.175 33 2HB GLN 5 1HB GLN 5 12.564 -3.838 -11.492 34 1HG GLN 5 2HG GLN 5 14.079 -5.598 -10.786 35 2HG GLN 5 1HG GLN 5 14.339 -6.060 -12.468 36 1HE2 GLN 5 1HE2 GLN 5 16.255 -5.160 -10.486 37 2HE2 GLN 5 2HE2 GLN 5 17.016 -3.764 -11.159 38 HA PRO 6 HA PRO 6 9.787 -7.038 -8.626 39 1HB PRO 6 2HB PRO 6 9.897 -9.749 -8.601 40 2HB PRO 6 1HB PRO 6 8.617 -8.834 -9.403 41 1HG PRO 6 2HG PRO 6 11.038 -10.138 -10.574 42 2HG PRO 6 1HG PRO 6 9.387 -10.057 -11.214 43 1HD PRO 6 2HD PRO 6 11.409 -8.463 -12.094 44 2HD PRO 6 1HD PRO 6 9.705 -7.962 -12.105 45 H SER 7 H SER 7 11.278 -6.308 -7.250 46 HA SER 7 HA SER 7 13.750 -7.712 -6.761 47 1HB SER 7 2HB SER 7 13.537 -5.213 -6.591 48 2HB SER 7 1HB SER 7 12.507 -5.446 -5.180 49 HG SER 7 HG SER 7 14.548 -5.137 -4.407 50 H ARG 8 H ARG 8 10.835 -6.921 -4.834 51 HA ARG 8 HA ARG 8 10.779 -9.605 -3.796 52 1HB ARG 8 2HB ARG 8 12.368 -8.295 -2.305 53 2HB ARG 8 1HB ARG 8 10.978 -7.346 -1.801 54 1HG ARG 8 2HG ARG 8 9.925 -9.299 -0.878 55 2HG ARG 8 1HG ARG 8 11.194 -10.335 -1.530 56 1HD ARG 8 2HD ARG 8 12.810 -8.938 -0.132 57 2HD ARG 8 1HD ARG 8 11.378 -8.322 0.691 58 HE ARG 8 HE ARG 8 11.507 -11.195 0.577 59 1HH1 ARG 8 1HH1 ARG 8 12.469 -8.348 2.401 60 2HH1 ARG 8 2HH1 ARG 8 12.709 -9.245 3.872 61 1HH2 ARG 8 1HH2 ARG 8 11.847 -12.342 2.517 62 2HH2 ARG 8 2HH2 ARG 8 12.345 -11.489 3.946 63 H SER 9 H SER 9 8.763 -10.160 -3.007 64 HA SER 9 HA SER 9 6.636 -8.298 -3.756 65 1HB SER 9 2HB SER 9 6.406 -11.185 -2.868 66 2HB SER 9 1HB SER 9 5.166 -10.218 -3.666 67 HG SER 9 HG SER 9 7.520 -11.327 -4.718 68 H TYR 10 H TYR 10 5.088 -7.529 -2.320 69 HA TYR 10 HA TYR 10 5.707 -7.997 0.526 70 1HB TYR 10 2HB TYR 10 4.893 -5.356 -0.715 71 2HB TYR 10 1HB TYR 10 5.275 -5.640 0.981 72 HD1 TYR 10 1HD TYR 10 7.676 -6.514 1.484 73 HD2 TYR 10 2HD TYR 10 6.554 -4.625 -2.162 74 HE1 TYR 10 1HE TYR 10 10.036 -5.989 1.035 75 HE2 TYR 10 2HE TYR 10 8.910 -4.093 -2.618 76 HH TYR 10 HH TYR 10 11.001 -3.803 -1.402 77 H ARG 11 H ARG 11 4.007 -8.157 1.909 78 HA ARG 11 HA ARG 11 1.337 -8.257 0.708 79 1HB ARG 11 2HB ARG 11 2.371 -9.318 3.342 80 2HB ARG 11 1HB ARG 11 0.688 -9.384 2.846 81 1HG ARG 11 2HG ARG 11 1.383 -10.737 0.881 82 2HG ARG 11 1HG ARG 11 3.017 -10.774 1.547 83 1HD ARG 11 2HD ARG 11 2.252 -11.913 3.515 84 2HD ARG 11 1HD ARG 11 0.570 -11.735 3.016 85 HE ARG 11 HE ARG 11 2.535 -13.621 1.955 86 1HH1 ARG 11 1HH1 ARG 11 -0.673 -12.228 1.753 87 2HH1 ARG 11 2HH1 ARG 11 -1.336 -13.542 0.830 88 1HH2 ARG 11 1HH2 ARG 11 1.678 -15.352 0.720 89 2HH2 ARG 11 2HH2 ARG 11 0.001 -15.324 0.255 90 H ILE 12 H ILE 12 -0.432 -7.305 1.880 91 HA ILE 12 HA ILE 12 0.392 -4.793 3.135 92 HB ILE 12 HB ILE 12 -2.404 -5.642 2.337 93 1HG1 ILE 12 2HG1 ILE 12 -0.431 -3.910 0.823 94 2HG1 ILE 12 1HG1 ILE 12 -0.875 -5.554 0.386 95 1HG2 ILE 12 1HG2 ILE 12 -1.233 -2.947 3.030 96 2HG2 ILE 12 2HG2 ILE 12 -2.359 -3.884 4.012 97 3HG2 ILE 12 3HG2 ILE 12 -2.880 -3.230 2.461 98 1HD1 ILE 12 1HD1 ILE 12 -2.741 -3.199 0.461 99 2HD1 ILE 12 2HD1 ILE 12 -3.164 -4.845 -0.012 100 3HD1 ILE 12 3HD1 ILE 12 -2.027 -3.911 -0.986 101 H THR 13 H THR 13 0.627 -4.840 5.260 102 HA THR 13 HA THR 13 -0.560 -6.779 6.966 103 HB THR 13 HB THR 13 0.424 -4.222 8.074 104 HG1 THR 13 1HG THR 13 2.595 -5.573 7.644 105 1HG2 THR 13 1HG2 THR 13 0.988 -7.114 8.715 106 2HG2 THR 13 2HG2 THR 13 -0.173 -6.078 9.545 107 3HG2 THR 13 3HG2 THR 13 1.553 -5.727 9.646 108 H GLY 14 H GLY 14 -1.320 -3.511 5.988 109 1HA GLY 14 2HA GLY 14 -3.977 -3.450 6.262 110 2HA GLY 14 1HA GLY 14 -3.461 -3.250 7.932 111 H TYR 15 H TYR 15 -4.209 -1.168 8.140 112 HA TYR 15 HA TYR 15 -2.906 0.849 6.420 113 1HB TYR 15 2HB TYR 15 -5.420 1.253 8.058 114 2HB TYR 15 1HB TYR 15 -4.777 2.298 6.797 115 HD1 TYR 15 1HD TYR 15 -5.145 1.793 4.451 116 HD2 TYR 15 2HD TYR 15 -6.597 -0.808 7.492 117 HE1 TYR 15 1HE TYR 15 -6.577 0.664 2.799 118 HE2 TYR 15 2HE TYR 15 -8.026 -1.940 5.850 119 HH TYR 15 HH TYR 15 -7.725 -1.418 2.469 120 H SER 16 H SER 16 -2.262 2.833 7.508 121 HA SER 16 HA SER 16 -1.055 2.506 10.032 122 1HB SER 16 2HB SER 16 -0.355 4.236 8.398 123 2HB SER 16 1HB SER 16 -1.873 5.089 8.671 124 HG SER 16 HG SER 16 -0.123 5.937 9.911 125 HA PRO 17 HA PRO 17 -4.587 2.682 12.706 126 1HB PRO 17 2HB PRO 17 -2.669 3.778 14.686 127 2HB PRO 17 1HB PRO 17 -3.707 2.351 14.789 128 1HG PRO 17 2HG PRO 17 -1.081 2.098 14.428 129 2HG PRO 17 1HG PRO 17 -2.225 1.020 13.605 130 1HD PRO 17 2HD PRO 17 -0.725 3.378 12.525 131 2HD PRO 17 1HD PRO 17 -1.062 1.811 11.758 132 H ALA 18 H ALA 18 -2.629 5.383 11.921 133 HA ALA 18 HA ALA 18 -4.471 7.243 13.252 134 1HB ALA 18 1HB ALA 18 -2.744 8.924 12.939 135 2HB ALA 18 2HB ALA 18 -1.752 7.760 12.060 136 3HB ALA 18 3HB ALA 18 -2.096 7.511 13.772 137 H ILE 19 H ILE 19 -4.880 5.735 10.653 138 HA ILE 19 HA ILE 19 -4.919 7.703 8.586 139 HB ILE 19 HB ILE 19 -4.939 5.219 8.209 140 1HG1 ILE 19 2HG1 ILE 19 -7.243 6.684 6.902 141 2HG1 ILE 19 1HG1 ILE 19 -5.551 6.896 6.458 142 1HG2 ILE 19 1HG2 ILE 19 -6.576 4.599 9.894 143 2HG2 ILE 19 2HG2 ILE 19 -7.077 4.036 8.300 144 3HG2 ILE 19 3HG2 ILE 19 -7.834 5.462 9.009 145 1HD1 ILE 19 1HD1 ILE 19 -7.140 4.349 6.245 146 2HD1 ILE 19 2HD1 ILE 19 -5.435 4.531 5.832 147 3HD1 ILE 19 3HD1 ILE 19 -6.662 5.405 4.914 148 H SER 20 H SER 20 -6.913 8.641 7.648 149 HA SER 20 HA SER 20 -8.826 9.263 9.792 150 1HB SER 20 2HB SER 20 -8.825 11.614 8.710 151 2HB SER 20 1HB SER 20 -7.465 11.157 9.736 152 HG SER 20 HG SER 20 -6.215 11.441 8.083 153 H ASN 21 H ASN 21 -10.852 8.875 9.318 154 HA ASN 21 HA ASN 21 -12.863 8.996 8.298 155 1HB ASN 21 2HB ASN 21 -11.311 10.792 6.440 156 2HB ASN 21 1HB ASN 21 -13.036 10.487 6.240 157 1HD2 ASN 21 1HD2 ASN 21 -14.489 11.312 7.746 158 2HD2 ASN 21 2HD2 ASN 21 -14.035 12.532 8.896 159 H GLY 22 H GLY 22 -13.388 9.178 5.473 160 1HA GLY 22 2HA GLY 22 -13.376 6.365 4.952 161 2HA GLY 22 1HA GLY 22 -14.073 7.618 3.939 162 H TYR 23 H TYR 23 -10.821 8.206 4.721 163 HA TYR 23 HA TYR 23 -9.862 7.898 2.092 164 1HB TYR 23 2HB TYR 23 -8.844 9.250 4.049 165 2HB TYR 23 1HB TYR 23 -8.131 7.728 4.563 166 HD1 TYR 23 1HD TYR 23 -8.240 10.176 1.786 167 HD2 TYR 23 2HD TYR 23 -6.152 6.908 3.548 168 HE1 TYR 23 1HE TYR 23 -6.341 10.584 0.281 169 HE2 TYR 23 2HE TYR 23 -4.248 7.304 2.041 170 HH TYR 23 HH TYR 23 -3.737 8.368 -0.067 171 H ARG 24 H ARG 24 -9.926 5.816 4.899 172 HA ARG 24 HA ARG 24 -8.433 3.649 3.882 173 1HB ARG 24 2HB ARG 24 -9.190 4.113 6.268 174 2HB ARG 24 1HB ARG 24 -10.735 3.421 5.784 175 1HG ARG 24 2HG ARG 24 -8.320 1.866 5.145 176 2HG ARG 24 1HG ARG 24 -8.770 1.997 6.829 177 1HD ARG 24 2HD ARG 24 -10.522 1.009 4.591 178 2HD ARG 24 1HD ARG 24 -9.743 0.003 5.810 179 HE ARG 24 HE ARG 24 -11.443 2.000 6.962 180 1HH1 ARG 24 1HH1 ARG 24 -11.379 -1.177 5.500 181 2HH1 ARG 24 2HH1 ARG 24 -12.852 -1.695 6.249 182 1HH2 ARG 24 1HH2 ARG 24 -13.364 1.339 7.952 183 2HH2 ARG 24 2HH2 ARG 24 -13.997 -0.255 7.654 184 H GLN 25 H GLN 25 -11.853 4.514 3.688 185 HA GLN 25 HA GLN 25 -12.695 2.106 2.476 186 1HB GLN 25 2HB GLN 25 -13.922 4.856 2.474 187 2HB GLN 25 1HB GLN 25 -14.721 3.409 1.902 188 1HG GLN 25 2HG GLN 25 -14.557 2.446 4.153 189 2HG GLN 25 1HG GLN 25 -13.810 3.943 4.711 190 1HE2 GLN 25 1HE2 GLN 25 -15.519 5.575 2.961 191 2HE2 GLN 25 2HE2 GLN 25 -17.069 5.611 3.719 192 H ARG 26 H ARG 26 -11.549 5.199 1.294 193 HA ARG 26 HA ARG 26 -12.064 4.784 -1.445 194 1HB ARG 26 2HB ARG 26 -11.388 6.939 -0.250 195 2HB ARG 26 1HB ARG 26 -9.738 6.341 -0.319 196 1HG ARG 26 2HG ARG 26 -9.822 6.317 -2.743 197 2HG ARG 26 1HG ARG 26 -11.507 6.841 -2.704 198 1HD ARG 26 2HD ARG 26 -10.736 8.876 -1.450 199 2HD ARG 26 1HD ARG 26 -9.080 8.378 -1.787 200 HE ARG 26 HE ARG 26 -10.431 8.435 -4.219 201 1HH1 ARG 26 1HH1 ARG 26 -9.461 10.686 -1.714 202 2HH1 ARG 26 2HH1 ARG 26 -9.386 12.049 -2.781 203 1HH2 ARG 26 1HH2 ARG 26 -10.311 10.226 -5.640 204 2HH2 ARG 26 2HH2 ARG 26 -9.887 11.791 -5.006 205 H LEU 27 H LEU 27 -9.306 4.027 0.618 206 HA LEU 27 HA LEU 27 -7.645 2.911 -1.395 207 1HB LEU 27 2HB LEU 27 -7.745 2.433 1.589 208 2HB LEU 27 1HB LEU 27 -6.461 1.871 0.543 209 HG LEU 27 HG LEU 27 -7.158 4.782 0.922 210 1HD1 LEU 27 1HD1 LEU 27 -4.997 3.144 2.238 211 2HD1 LEU 27 2HD1 LEU 27 -6.410 3.837 3.033 212 3HD1 LEU 27 3HD1 LEU 27 -5.174 4.894 2.352 213 1HD2 LEU 27 1HD2 LEU 27 -4.749 3.427 -0.288 214 2HD2 LEU 27 2HD2 LEU 27 -4.970 5.165 -0.089 215 3HD2 LEU 27 3HD2 LEU 27 -6.023 4.263 -1.177 216 H PHE 28 H PHE 28 -9.944 1.545 0.893 217 HA PHE 28 HA PHE 28 -9.657 -1.171 0.303 218 1HB PHE 28 2HB PHE 28 -10.949 -0.062 2.189 219 2HB PHE 28 1HB PHE 28 -12.243 0.203 1.033 220 HD1 PHE 28 1HD PHE 28 -10.281 -2.398 2.771 221 HD2 PHE 28 2HD PHE 28 -13.744 -1.523 0.459 222 HE1 PHE 28 1HE PHE 28 -11.172 -4.641 3.259 223 HE2 PHE 28 2HE PHE 28 -14.642 -3.759 0.945 224 HZ PHE 28 HZ PHE 28 -13.354 -5.322 2.347 225 H SER 29 H SER 29 -11.780 1.282 -1.088 226 HA SER 29 HA SER 29 -13.149 -0.386 -2.896 227 1HB SER 29 2HB SER 29 -12.571 2.582 -3.067 228 2HB SER 29 1HB SER 29 -13.763 1.720 -4.037 229 HG SER 29 HG SER 29 -13.744 2.036 -1.211 230 H MET 30 H MET 30 -10.096 1.302 -3.072 231 HA MET 30 HA MET 30 -9.794 0.924 -5.903 232 1HB MET 30 2HB MET 30 -7.948 1.931 -3.752 233 2HB MET 30 1HB MET 30 -7.408 1.700 -5.406 234 1HG MET 30 2HG MET 30 -9.284 3.206 -6.122 235 2HG MET 30 1HG MET 30 -9.548 3.560 -4.416 236 1HE MET 30 1HE MET 30 -7.777 4.808 -2.871 237 2HE MET 30 2HE MET 30 -6.175 5.296 -3.425 238 3HE MET 30 3HE MET 30 -6.574 3.584 -3.283 239 H GLY 31 H GLY 31 -9.211 -0.977 -3.130 240 1HA GLY 31 2HA GLY 31 -9.014 -3.361 -3.618 241 2HA GLY 31 1HA GLY 31 -7.874 -2.942 -4.886 242 H LEU 32 H LEU 32 -7.451 -1.083 -2.096 243 HA LEU 32 HA LEU 32 -5.115 -2.711 -1.395 244 1HB LEU 32 2HB LEU 32 -5.770 0.152 -0.686 245 2HB LEU 32 1HB LEU 32 -4.306 -0.697 -0.224 246 HG LEU 32 HG LEU 32 -5.134 -0.060 -3.061 247 1HD1 LEU 32 1HD1 LEU 32 -3.253 1.509 -3.011 248 2HD1 LEU 32 2HD1 LEU 32 -3.005 1.149 -1.301 249 3HD1 LEU 32 3HD1 LEU 32 -4.494 1.934 -1.833 250 1HD2 LEU 32 1HD2 LEU 32 -3.849 -2.120 -2.934 251 2HD2 LEU 32 2HD2 LEU 32 -2.617 -1.311 -1.964 252 3HD2 LEU 32 3HD2 LEU 32 -2.876 -0.829 -3.641 253 H LEU 33 H LEU 33 -5.915 -4.257 -0.041 254 HA LEU 33 HA LEU 33 -6.993 -3.282 2.501 255 1HB LEU 33 2HB LEU 33 -8.540 -5.137 2.610 256 2HB LEU 33 1HB LEU 33 -8.856 -4.172 1.188 257 HG LEU 33 HG LEU 33 -7.214 -6.682 1.008 258 1HD1 LEU 33 1HD1 LEU 33 -10.219 -6.469 0.835 259 2HD1 LEU 33 2HD1 LEU 33 -9.314 -7.281 2.111 260 3HD1 LEU 33 3HD1 LEU 33 -9.262 -7.901 0.461 261 1HD2 LEU 33 1HD2 LEU 33 -8.957 -5.195 -0.957 262 2HD2 LEU 33 2HD2 LEU 33 -8.058 -6.675 -1.295 263 3HD2 LEU 33 3HD2 LEU 33 -7.194 -5.185 -0.916 264 HA PRO 34 HA PRO 34 -3.921 -5.748 4.470 265 1HB PRO 34 2HB PRO 34 -5.342 -6.705 6.623 266 2HB PRO 34 1HB PRO 34 -4.651 -5.082 6.528 267 1HG PRO 34 2HG PRO 34 -7.457 -5.980 6.025 268 2HG PRO 34 1HG PRO 34 -6.879 -4.526 6.855 269 1HD PRO 34 2HD PRO 34 -7.794 -4.449 4.328 270 2HD PRO 34 1HD PRO 34 -6.464 -3.406 4.875 271 H GLY 35 H GLY 35 -3.164 -7.781 4.294 272 1HA GLY 35 2HA GLY 35 -3.472 -10.163 4.561 273 2HA GLY 35 1HA GLY 35 -5.123 -9.964 3.991 274 H ALA 36 H ALA 36 -4.134 -8.097 1.848 275 HA ALA 36 HA ALA 36 -3.678 -10.159 -0.105 276 1HB ALA 36 1HB ALA 36 -5.285 -8.362 -0.547 277 2HB ALA 36 2HB ALA 36 -3.979 -8.364 -1.733 278 3HB ALA 36 3HB ALA 36 -3.986 -7.173 -0.432 279 H ALA 37 H ALA 37 -2.184 -8.976 -1.965 280 HA ALA 37 HA ALA 37 0.381 -8.276 -0.781 281 1HB ALA 37 1HB ALA 37 0.038 -10.701 -2.542 282 2HB ALA 37 2HB ALA 37 0.404 -10.715 -0.816 283 3HB ALA 37 3HB ALA 37 1.572 -10.054 -1.961 284 H LEU 38 H LEU 38 1.730 -7.169 -2.128 285 HA LEU 38 HA LEU 38 0.719 -6.581 -4.837 286 1HB LEU 38 2HB LEU 38 2.283 -4.759 -3.007 287 2HB LEU 38 1HB LEU 38 1.751 -4.371 -4.629 288 HG LEU 38 HG LEU 38 -0.088 -4.903 -2.291 289 1HD1 LEU 38 1HD1 LEU 38 1.152 -2.822 -2.018 290 2HD1 LEU 38 2HD1 LEU 38 -0.547 -2.509 -2.368 291 3HD1 LEU 38 3HD1 LEU 38 0.666 -2.309 -3.633 292 1HD2 LEU 38 1HD2 LEU 38 -0.668 -3.922 -5.085 293 2HD2 LEU 38 2HD2 LEU 38 -1.841 -4.074 -3.776 294 3HD2 LEU 38 3HD2 LEU 38 -1.072 -5.515 -4.444 295 H ARG 39 H ARG 39 2.133 -6.720 -6.473 296 HA ARG 39 HA ARG 39 4.782 -7.812 -5.832 297 1HB ARG 39 2HB ARG 39 3.225 -9.148 -7.247 298 2HB ARG 39 1HB ARG 39 3.228 -7.854 -8.436 299 1HG ARG 39 2HG ARG 39 5.499 -8.244 -8.981 300 2HG ARG 39 1HG ARG 39 5.718 -9.302 -7.583 301 1HD ARG 39 2HD ARG 39 4.173 -10.920 -8.535 302 2HD ARG 39 1HD ARG 39 3.879 -9.859 -9.911 303 HE ARG 39 HE ARG 39 6.053 -10.337 -10.715 304 1HH1 ARG 39 1HH1 ARG 39 5.220 -12.172 -7.830 305 2HH1 ARG 39 2HH1 ARG 39 6.421 -13.392 -8.119 306 1HH2 ARG 39 1HH2 ARG 39 7.627 -11.959 -11.068 307 2HH2 ARG 39 2HH2 ARG 39 7.784 -13.275 -9.941 308 H VAL 40 H VAL 40 6.431 -6.467 -5.977 309 HA VAL 40 HA VAL 40 6.188 -3.791 -6.809 310 HB VAL 40 HB VAL 40 7.828 -4.559 -5.114 311 1HG1 VAL 40 1HG1 VAL 40 9.330 -5.675 -7.468 312 2HG1 VAL 40 2HG1 VAL 40 8.576 -6.604 -6.171 313 3HG1 VAL 40 3HG1 VAL 40 9.944 -5.547 -5.819 314 1HG2 VAL 40 1HG2 VAL 40 9.705 -3.142 -5.858 315 2HG2 VAL 40 2HG2 VAL 40 8.133 -2.382 -6.108 316 3HG2 VAL 40 3HG2 VAL 40 8.997 -3.091 -7.473 317 H VAL 41 H VAL 41 6.240 -2.902 -8.689 318 HA VAL 41 HA VAL 41 7.375 -4.286 -10.982 319 HB VAL 41 HB VAL 41 6.020 -1.580 -10.805 320 1HG1 VAL 41 1HG1 VAL 41 7.566 -1.645 -12.661 321 2HG1 VAL 41 2HG1 VAL 41 5.909 -1.718 -13.261 322 3HG1 VAL 41 3HG1 VAL 41 6.893 -3.182 -13.205 323 1HG2 VAL 41 1HG2 VAL 41 4.124 -2.683 -11.882 324 2HG2 VAL 41 2HG2 VAL 41 4.494 -3.423 -10.325 325 3HG2 VAL 41 3HG2 VAL 41 4.978 -4.224 -11.821 326 H ARG 42 H ARG 42 7.687 -1.070 -9.462 327 HA ARG 42 HA ARG 42 10.543 -1.086 -9.499 328 1HB ARG 42 2HB ARG 42 9.145 0.547 -11.626 329 2HB ARG 42 1HB ARG 42 10.753 0.939 -11.044 330 1HG ARG 42 2HG ARG 42 11.387 -1.439 -11.747 331 2HG ARG 42 1HG ARG 42 9.859 -1.440 -12.632 332 1HD ARG 42 2HD ARG 42 11.525 -0.756 -14.170 333 2HD ARG 42 1HD ARG 42 10.628 0.697 -13.728 334 HE ARG 42 HE ARG 42 13.095 0.095 -12.266 335 1HH1 ARG 42 1HH1 ARG 42 11.420 2.107 -14.622 336 2HH1 ARG 42 2HH1 ARG 42 12.673 3.310 -14.643 337 1HH2 ARG 42 1HH2 ARG 42 14.710 1.691 -12.304 338 2HH2 ARG 42 2HH2 ARG 42 14.535 3.069 -13.353 339 H ILE 43 H ILE 43 11.448 0.690 -8.422 340 HA ILE 43 HA ILE 43 9.614 2.890 -7.677 341 HB ILE 43 HB ILE 43 12.117 1.929 -6.243 342 1HG1 ILE 43 2HG1 ILE 43 10.446 1.976 -4.273 343 2HG1 ILE 43 1HG1 ILE 43 9.200 2.041 -5.508 344 1HG2 ILE 43 1HG2 ILE 43 12.168 4.368 -6.332 345 2HG2 ILE 43 2HG2 ILE 43 11.807 3.824 -4.695 346 3HG2 ILE 43 3HG2 ILE 43 10.514 4.441 -5.721 347 1HD1 ILE 43 1HD1 ILE 43 11.246 -0.137 -5.196 348 2HD1 ILE 43 2HD1 ILE 43 9.979 -0.075 -6.422 349 3HD1 ILE 43 3HD1 ILE 43 9.552 -0.224 -4.716 350 H ALA 44 H ALA 44 10.043 4.649 -8.924 351 HA ALA 44 HA ALA 44 12.056 4.839 -10.819 352 1HB ALA 44 1HB ALA 44 10.626 7.142 -9.502 353 2HB ALA 44 2HB ALA 44 9.979 6.166 -10.823 354 3HB ALA 44 3HB ALA 44 11.418 7.155 -11.078 355 HA PRO 45 HA PRO 45 15.677 5.906 -8.459 356 1HB PRO 45 2HB PRO 45 17.197 6.823 -10.523 357 2HB PRO 45 1HB PRO 45 16.917 5.106 -10.217 358 1HG PRO 45 2HG PRO 45 15.563 6.927 -12.169 359 2HG PRO 45 1HG PRO 45 16.135 5.266 -12.403 360 1HD PRO 45 2HD PRO 45 13.538 5.840 -11.959 361 2HD PRO 45 1HD PRO 45 14.291 4.349 -11.354 362 H LEU 46 H LEU 46 13.585 8.019 -9.951 363 HA LEU 46 HA LEU 46 14.848 10.515 -9.663 364 1HB LEU 46 2HB LEU 46 12.008 9.579 -9.709 365 2HB LEU 46 1HB LEU 46 12.350 11.238 -9.270 366 HG LEU 46 HG LEU 46 11.793 11.193 -11.590 367 1HD1 LEU 46 1HD1 LEU 46 14.785 11.408 -11.305 368 2HD1 LEU 46 2HD1 LEU 46 13.613 12.691 -11.001 369 3HD1 LEU 46 3HD1 LEU 46 13.824 12.057 -12.633 370 1HD2 LEU 46 1HD2 LEU 46 12.145 8.849 -12.058 371 2HD2 LEU 46 2HD2 LEU 46 13.889 9.050 -11.894 372 3HD2 LEU 46 3HD2 LEU 46 13.032 9.831 -13.223 373 H GLY 47 H GLY 47 13.405 8.327 -7.426 374 1HA GLY 47 2HA GLY 47 14.394 9.191 -5.086 375 2HA GLY 47 1HA GLY 47 13.044 10.284 -5.341 376 H ASP 48 H ASP 48 10.911 9.327 -5.708 377 HA ASP 48 HA ASP 48 10.541 6.556 -5.158 378 1HB ASP 48 2HB ASP 48 11.057 7.202 -2.917 379 2HB ASP 48 1HB ASP 48 9.971 8.577 -2.999 380 HA PRO 49 HA PRO 49 6.320 6.891 -5.579 381 1HB PRO 49 2HB PRO 49 5.936 5.685 -7.931 382 2HB PRO 49 1HB PRO 49 6.327 7.407 -7.894 383 1HG PRO 49 2HG PRO 49 7.981 5.159 -8.803 384 2HG PRO 49 1HG PRO 49 8.198 6.894 -9.093 385 1HD PRO 49 2HD PRO 49 9.404 5.185 -7.011 386 2HD PRO 49 1HD PRO 49 9.907 6.794 -7.578 387 H ILE 50 H ILE 50 5.092 4.645 -6.159 388 HA ILE 50 HA ILE 50 6.944 2.394 -5.956 389 HB ILE 50 HB ILE 50 4.460 2.622 -4.218 390 1HG1 ILE 50 2HG1 ILE 50 7.392 2.490 -3.476 391 2HG1 ILE 50 1HG1 ILE 50 6.363 3.913 -3.349 392 1HG2 ILE 50 1HG2 ILE 50 6.427 0.352 -4.514 393 2HG2 ILE 50 2HG2 ILE 50 4.742 0.355 -5.036 394 3HG2 ILE 50 3HG2 ILE 50 5.133 0.435 -3.318 395 1HD1 ILE 50 1HD1 ILE 50 5.013 2.790 -1.665 396 2HD1 ILE 50 2HD1 ILE 50 6.712 2.852 -1.190 397 3HD1 ILE 50 3HD1 ILE 50 6.022 1.352 -1.810 398 H GLN 51 H GLN 51 6.643 1.673 -7.938 399 HA GLN 51 HA GLN 51 3.984 1.447 -9.096 400 1HB GLN 51 2HB GLN 51 6.195 2.089 -10.319 401 2HB GLN 51 1HB GLN 51 6.549 0.374 -10.268 402 1HG GLN 51 2HG GLN 51 5.641 0.837 -12.392 403 2HG GLN 51 1HG GLN 51 4.404 -0.027 -11.483 404 1HE2 GLN 51 1HE2 GLN 51 4.288 1.854 -13.792 405 2HE2 GLN 51 2HE2 GLN 51 3.154 3.069 -13.312 406 H VAL 52 H VAL 52 2.779 -0.303 -8.642 407 HA VAL 52 HA VAL 52 4.131 -2.887 -8.267 408 HB VAL 52 HB VAL 52 2.503 -3.413 -6.413 409 1HG1 VAL 52 1HG1 VAL 52 4.833 -2.969 -5.939 410 2HG1 VAL 52 2HG1 VAL 52 3.810 -2.292 -4.672 411 3HG1 VAL 52 3HG1 VAL 52 4.513 -1.234 -5.895 412 1HG2 VAL 52 1HG2 VAL 52 2.141 -0.421 -6.370 413 2HG2 VAL 52 2HG2 VAL 52 1.494 -1.565 -5.192 414 3HG2 VAL 52 3HG2 VAL 52 0.922 -1.598 -6.860 415 H GLU 53 H GLU 53 2.357 -4.658 -8.088 416 HA GLU 53 HA GLU 53 -0.060 -4.003 -9.565 417 1HB GLU 53 2HB GLU 53 1.611 -4.657 -11.289 418 2HB GLU 53 1HB GLU 53 1.828 -6.195 -10.463 419 1HG GLU 53 2HG GLU 53 -0.542 -6.714 -10.851 420 2HG GLU 53 1HG GLU 53 -0.711 -5.200 -11.734 421 H THR 54 H THR 54 -1.761 -5.226 -8.904 422 HA THR 54 HA THR 54 -1.344 -7.103 -6.726 423 HB THR 54 HB THR 54 -4.029 -6.613 -7.970 424 HG1 THR 54 1HG THR 54 -3.650 -4.737 -6.151 425 1HG2 THR 54 1HG2 THR 54 -3.857 -8.115 -6.051 426 2HG2 THR 54 2HG2 THR 54 -4.729 -6.650 -5.600 427 3HG2 THR 54 3HG2 THR 54 -3.045 -6.858 -5.121 428 H ARG 55 H ARG 55 -0.391 -7.746 -9.419 429 HA ARG 55 HA ARG 55 -0.247 -9.460 -10.886 430 1HB ARG 55 2HB ARG 55 -0.414 -10.838 -8.809 431 2HB ARG 55 1HB ARG 55 -2.152 -10.914 -9.039 432 1HG ARG 55 2HG ARG 55 -1.853 -12.109 -11.123 433 2HG ARG 55 1HG ARG 55 -0.099 -11.984 -10.962 434 1HD ARG 55 2HD ARG 55 -1.879 -13.326 -8.941 435 2HD ARG 55 1HD ARG 55 -1.088 -14.181 -10.263 436 HE ARG 55 HE ARG 55 1.033 -13.635 -9.267 437 1HH1 ARG 55 1HH1 ARG 55 -1.751 -12.907 -7.253 438 2HH1 ARG 55 2HH1 ARG 55 -0.856 -13.036 -5.764 439 1HH2 ARG 55 1HH2 ARG 55 2.192 -13.799 -7.324 440 2HH2 ARG 55 2HH2 ARG 55 1.379 -13.571 -5.806 441 H GLN 56 H GLN 56 -2.531 -7.450 -10.745 442 HA GLN 56 HA GLN 56 -4.067 -8.610 -12.947 443 1HB GLN 56 2HB GLN 56 -5.376 -8.857 -10.821 444 2HB GLN 56 1HB GLN 56 -5.339 -7.110 -10.644 445 1HG GLN 56 2HG GLN 56 -6.514 -6.920 -12.821 446 2HG GLN 56 1HG GLN 56 -6.655 -8.677 -12.848 447 1HE2 GLN 56 1HE2 GLN 56 -7.984 -9.702 -11.309 448 2HE2 GLN 56 2HE2 GLN 56 -9.242 -8.830 -10.488 449 H THR 57 H THR 57 -4.214 -5.633 -11.022 450 HA THR 57 HA THR 57 -3.630 -4.098 -13.465 451 HB THR 57 HB THR 57 -5.086 -3.093 -11.010 452 HG1 THR 57 1HG THR 57 -6.061 -4.269 -13.418 453 1HG2 THR 57 1HG2 THR 57 -4.839 -2.018 -13.824 454 2HG2 THR 57 2HG2 THR 57 -4.080 -1.345 -12.381 455 3HG2 THR 57 3HG2 THR 57 -5.835 -1.315 -12.548 456 H SER 58 H SER 58 -2.018 -2.567 -13.388 457 HA SER 58 HA SER 58 -0.237 -2.652 -11.109 458 1HB SER 58 2HB SER 58 1.169 -1.114 -12.543 459 2HB SER 58 1HB SER 58 0.843 -2.700 -13.242 460 HG SER 58 HG SER 58 0.509 -1.108 -14.801 461 H LEU 59 H LEU 59 0.352 -0.894 -9.851 462 HA LEU 59 HA LEU 59 -1.239 1.532 -10.095 463 1HB LEU 59 2HB LEU 59 -1.337 -0.380 -7.817 464 2HB LEU 59 1HB LEU 59 -1.442 1.335 -7.472 465 HG LEU 59 HG LEU 59 -3.267 -0.071 -9.396 466 1HD1 LEU 59 1HD1 LEU 59 -3.683 0.560 -6.480 467 2HD1 LEU 59 2HD1 LEU 59 -3.602 -1.044 -7.211 468 3HD1 LEU 59 3HD1 LEU 59 -4.948 0.032 -7.590 469 1HD2 LEU 59 1HD2 LEU 59 -3.039 2.340 -9.719 470 2HD2 LEU 59 2HD2 LEU 59 -3.464 2.604 -8.028 471 3HD2 LEU 59 3HD2 LEU 59 -4.648 1.913 -9.138 472 H ALA 60 H ALA 60 -0.570 3.171 -8.504 473 HA ALA 60 HA ALA 60 2.278 3.026 -7.816 474 1HB ALA 60 1HB ALA 60 2.149 4.106 -10.019 475 2HB ALA 60 2HB ALA 60 2.692 5.235 -8.777 476 3HB ALA 60 3HB ALA 60 1.030 5.302 -9.366 477 H LEU 61 H LEU 61 2.908 4.596 -6.190 478 HA LEU 61 HA LEU 61 0.875 6.200 -4.959 479 1HB LEU 61 2HB LEU 61 0.949 5.116 -2.770 480 2HB LEU 61 1HB LEU 61 0.298 4.043 -3.992 481 HG LEU 61 HG LEU 61 3.040 3.481 -3.910 482 1HD1 LEU 61 1HD1 LEU 61 1.881 3.694 -1.136 483 2HD1 LEU 61 2HD1 LEU 61 3.187 4.681 -1.792 484 3HD1 LEU 61 3HD1 LEU 61 3.422 2.949 -1.560 485 1HD2 LEU 61 1HD2 LEU 61 1.216 1.899 -4.335 486 2HD2 LEU 61 2HD2 LEU 61 0.718 2.023 -2.647 487 3HD2 LEU 61 3HD2 LEU 61 2.286 1.325 -3.055 488 H ARG 62 H ARG 62 1.811 7.258 -2.928 489 HA ARG 62 HA ARG 62 4.602 7.931 -3.566 490 1HB ARG 62 2HB ARG 62 2.510 9.549 -2.094 491 2HB ARG 62 1HB ARG 62 4.156 10.065 -2.404 492 1HG ARG 62 2HG ARG 62 2.690 11.145 -3.930 493 2HG ARG 62 1HG ARG 62 3.678 10.002 -4.828 494 1HD ARG 62 2HD ARG 62 1.920 8.688 -5.359 495 2HD ARG 62 1HD ARG 62 1.105 8.978 -3.827 496 HE ARG 62 HE ARG 62 1.075 10.876 -6.086 497 1HH1 ARG 62 1HH1 ARG 62 -0.419 9.254 -3.359 498 2HH1 ARG 62 2HH1 ARG 62 -1.961 10.032 -3.585 499 1HH2 ARG 62 1HH2 ARG 62 -0.986 11.857 -6.416 500 2HH2 ARG 62 2HH2 ARG 62 -2.278 11.511 -5.301 501 H ARG 63 H ARG 63 5.811 8.791 -1.645 502 HA ARG 63 HA ARG 63 6.022 6.896 0.425 503 1HB ARG 63 2HB ARG 63 7.479 8.497 1.549 504 2HB ARG 63 1HB ARG 63 7.832 8.468 -0.171 505 1HG ARG 63 2HG ARG 63 7.297 10.618 -0.443 506 2HG ARG 63 1HG ARG 63 5.865 10.491 0.581 507 1HD ARG 63 2HD ARG 63 7.467 12.023 1.562 508 2HD ARG 63 1HD ARG 63 7.296 10.589 2.573 509 HE ARG 63 HE ARG 63 9.560 10.992 0.714 510 1HH1 ARG 63 1HH1 ARG 63 8.269 9.982 3.814 511 2HH1 ARG 63 2HH1 ARG 63 9.815 9.532 4.460 512 1HH2 ARG 63 1HH2 ARG 63 11.577 10.410 1.536 513 2HH2 ARG 63 2HH2 ARG 63 11.720 9.765 3.144 514 H LYS 64 H LYS 64 4.175 9.812 0.098 515 HA LYS 64 HA LYS 64 3.325 10.170 2.748 516 1HB LYS 64 2HB LYS 64 3.143 11.838 0.892 517 2HB LYS 64 1HB LYS 64 1.850 10.875 0.200 518 1HG LYS 64 2HG LYS 64 1.605 11.852 3.004 519 2HG LYS 64 1HG LYS 64 1.328 12.962 1.662 520 1HD LYS 64 2HD LYS 64 -0.349 11.371 0.759 521 2HD LYS 64 1HD LYS 64 -0.130 10.375 2.200 522 1HE LYS 64 2HE LYS 64 -2.089 11.830 2.402 523 2HE LYS 64 1HE LYS 64 -0.861 12.225 3.607 524 1HZ LYS 64 1HZ LYS 64 -1.799 14.213 2.591 525 2HZ LYS 64 2HZ LYS 64 -1.309 13.685 1.053 526 3HZ LYS 64 3HZ LYS 64 -0.147 14.073 2.230 527 H ASP 65 H ASP 65 1.990 8.299 0.060 528 HA ASP 65 HA ASP 65 -0.332 7.440 1.474 529 1HB ASP 65 2HB ASP 65 0.994 6.197 -0.947 530 2HB ASP 65 1HB ASP 65 -0.643 5.898 -0.391 531 H LEU 66 H LEU 66 2.880 6.140 0.868 532 HA LEU 66 HA LEU 66 2.547 3.595 1.997 533 1HB LEU 66 2HB LEU 66 4.496 4.291 0.654 534 2HB LEU 66 1HB LEU 66 5.023 5.323 1.967 535 HG LEU 66 HG LEU 66 5.288 3.312 3.401 536 1HD1 LEU 66 1HD1 LEU 66 4.709 1.811 0.850 537 2HD1 LEU 66 2HD1 LEU 66 3.684 1.850 2.285 538 3HD1 LEU 66 3HD1 LEU 66 5.279 1.101 2.361 539 1HD2 LEU 66 1HD2 LEU 66 6.816 3.268 0.804 540 2HD2 LEU 66 2HD2 LEU 66 7.313 2.485 2.304 541 3HD2 LEU 66 3HD2 LEU 66 7.201 4.244 2.222 542 H ALA 67 H ALA 67 3.111 6.721 3.426 543 HA ALA 67 HA ALA 67 3.730 5.787 6.043 544 1HB ALA 67 1HB ALA 67 4.402 8.004 5.294 545 2HB ALA 67 2HB ALA 67 3.396 8.107 6.739 546 3HB ALA 67 3HB ALA 67 2.710 8.483 5.158 547 H LEU 68 H LEU 68 0.860 5.832 4.291 548 HA LEU 68 HA LEU 68 -0.760 5.821 6.748 549 1HB LEU 68 2HB LEU 68 -1.575 6.306 3.881 550 2HB LEU 68 1HB LEU 68 -2.688 6.226 5.232 551 HG LEU 68 HG LEU 68 -0.490 8.274 4.940 552 1HD1 LEU 68 1HD1 LEU 68 -2.311 9.847 4.482 553 2HD1 LEU 68 2HD1 LEU 68 -3.458 8.508 4.475 554 3HD1 LEU 68 3HD1 LEU 68 -2.194 8.593 3.248 555 1HD2 LEU 68 1HD2 LEU 68 -1.071 7.776 7.258 556 2HD2 LEU 68 2HD2 LEU 68 -2.773 8.068 6.898 557 3HD2 LEU 68 3HD2 LEU 68 -1.609 9.389 6.791 558 H LEU 69 H LEU 69 0.698 3.800 4.604 559 HA LEU 69 HA LEU 69 -1.337 1.700 4.972 560 1HB LEU 69 2HB LEU 69 0.461 2.200 2.603 561 2HB LEU 69 1HB LEU 69 -0.460 0.727 2.830 562 HG LEU 69 HG LEU 69 -1.684 3.477 2.577 563 1HD1 LEU 69 1HD1 LEU 69 -1.367 1.268 0.552 564 2HD1 LEU 69 2HD1 LEU 69 -0.630 2.871 0.494 565 3HD1 LEU 69 3HD1 LEU 69 -2.379 2.697 0.339 566 1HD2 LEU 69 1HD2 LEU 69 -3.042 1.903 3.855 567 2HD2 LEU 69 2HD2 LEU 69 -2.903 0.717 2.558 568 3HD2 LEU 69 3HD2 LEU 69 -3.771 2.227 2.281 569 H THR 70 H THR 70 -0.639 -0.014 6.085 570 HA THR 70 HA THR 70 2.216 -0.213 6.649 571 HB THR 70 HB THR 70 0.050 -1.963 7.770 572 HG1 THR 70 1HG THR 70 -0.490 -0.398 9.137 573 1HG2 THR 70 1HG2 THR 70 2.748 -1.138 8.834 574 2HG2 THR 70 2HG2 THR 70 2.353 -2.708 8.132 575 3HG2 THR 70 3HG2 THR 70 1.602 -2.203 9.648 576 H LEU 71 H LEU 71 3.400 -1.374 5.340 577 HA LEU 71 HA LEU 71 2.316 -3.872 4.227 578 1HB LEU 71 2HB LEU 71 3.939 -1.746 2.863 579 2HB LEU 71 1HB LEU 71 4.024 -3.407 2.320 580 HG LEU 71 HG LEU 71 1.496 -3.299 2.035 581 1HD1 LEU 71 1HD1 LEU 71 2.051 -0.354 2.308 582 2HD1 LEU 71 2HD1 LEU 71 1.027 -1.338 3.355 583 3HD1 LEU 71 3HD1 LEU 71 0.562 -1.056 1.676 584 1HD2 LEU 71 1HD2 LEU 71 3.254 -1.546 0.330 585 2HD2 LEU 71 2HD2 LEU 71 1.687 -2.203 -0.145 586 3HD2 LEU 71 3HD2 LEU 71 3.040 -3.290 0.167 587 H VAL 72 H VAL 72 3.645 -5.610 4.175 588 HA VAL 72 HA VAL 72 6.397 -5.310 5.156 589 HB VAL 72 HB VAL 72 6.088 -7.395 6.536 590 1HG1 VAL 72 1HG1 VAL 72 6.175 -5.200 7.598 591 2HG1 VAL 72 2HG1 VAL 72 5.053 -6.262 8.446 592 3HG1 VAL 72 3HG1 VAL 72 4.437 -5.010 7.367 593 1HG2 VAL 72 1HG2 VAL 72 3.808 -7.998 7.226 594 2HG2 VAL 72 2HG2 VAL 72 4.052 -8.226 5.494 595 3HG2 VAL 72 3HG2 VAL 72 3.161 -6.823 6.082 596 HA PRO 73 HA PRO 73 7.406 -8.211 1.940 597 1HB PRO 73 2HB PRO 73 8.995 -9.782 3.881 598 2HB PRO 73 1HB PRO 73 9.507 -8.995 2.384 599 1HG PRO 73 2HG PRO 73 10.178 -8.002 4.776 600 2HG PRO 73 1HG PRO 73 9.790 -6.938 3.411 601 1HD PRO 73 2HD PRO 73 8.110 -7.688 5.771 602 2HD PRO 73 1HD PRO 73 8.272 -6.119 4.954 603 H LEU 74 H LEU 74 7.257 -10.532 1.330 604 HA LEU 74 HA LEU 74 4.948 -11.807 2.175 605 1HB LEU 74 2HB LEU 74 7.447 -12.988 0.962 606 2HB LEU 74 1HB LEU 74 5.932 -13.845 1.125 607 HG LEU 74 HG LEU 74 6.400 -11.388 -0.562 608 1HD1 LEU 74 1HD1 LEU 74 7.447 -13.354 -1.497 609 2HD1 LEU 74 2HD1 LEU 74 6.010 -12.941 -2.433 610 3HD1 LEU 74 3HD1 LEU 74 5.963 -14.281 -1.288 611 1HD2 LEU 74 1HD2 LEU 74 4.137 -11.426 0.332 612 2HD2 LEU 74 2HD2 LEU 74 3.931 -13.089 -0.216 613 3HD2 LEU 74 3HD2 LEU 74 4.129 -11.790 -1.393 614 H ASP 75 H ASP 75 8.296 -12.675 2.974 615 HA ASP 75 HA ASP 75 7.728 -13.124 5.721 616 1HB ASP 75 2HB ASP 75 6.741 -15.207 4.861 617 2HB ASP 75 1HB ASP 75 8.240 -15.581 4.018 Start of MODEL 14 1 HA MET 1 HA MET 1 9.935 -5.794 -24.621 2 1HB MET 1 2HB MET 1 7.393 -7.432 -24.746 3 2HB MET 1 1HB MET 1 7.482 -5.679 -24.770 4 1HG MET 1 2HG MET 1 7.154 -6.251 -26.990 5 2HG MET 1 1HG MET 1 8.892 -5.967 -26.887 6 1HE MET 1 1HE MET 1 6.041 -8.645 -27.113 7 2HE MET 1 2HE MET 1 6.844 -9.083 -25.605 8 3HE MET 1 3HE MET 1 6.945 -10.156 -27.002 9 H SER 2 H SER 2 9.004 -4.597 -22.905 10 HA SER 2 HA SER 2 8.608 -4.084 -20.749 11 1HB SER 2 2HB SER 2 7.437 -6.867 -20.545 12 2HB SER 2 1HB SER 2 7.098 -5.496 -19.488 13 HG SER 2 HG SER 2 6.622 -4.641 -21.915 14 H ALA 3 H ALA 3 10.814 -3.957 -20.238 15 HA ALA 3 HA ALA 3 12.268 -6.182 -19.193 16 1HB ALA 3 1HB ALA 3 13.944 -4.531 -18.532 17 2HB ALA 3 2HB ALA 3 12.806 -3.227 -18.871 18 3HB ALA 3 3HB ALA 3 13.403 -4.238 -20.188 19 H LEU 4 H LEU 4 11.174 -7.138 -17.535 20 HA LEU 4 HA LEU 4 10.374 -5.432 -15.285 21 1HB LEU 4 2HB LEU 4 9.376 -8.184 -16.018 22 2HB LEU 4 1HB LEU 4 8.793 -7.199 -14.691 23 HG LEU 4 HG LEU 4 8.516 -6.532 -17.624 24 1HD1 LEU 4 1HD1 LEU 4 6.478 -7.440 -15.597 25 2HD1 LEU 4 2HD1 LEU 4 7.095 -8.390 -16.949 26 3HD1 LEU 4 3HD1 LEU 4 6.135 -6.941 -17.254 27 1HD2 LEU 4 1HD2 LEU 4 7.106 -4.698 -16.876 28 2HD2 LEU 4 2HD2 LEU 4 8.732 -4.539 -16.210 29 3HD2 LEU 4 3HD2 LEU 4 7.414 -5.126 -15.195 30 H GLN 5 H GLN 5 11.958 -5.427 -13.828 31 HA GLN 5 HA GLN 5 12.949 -8.041 -12.909 32 1HB GLN 5 2HB GLN 5 15.043 -6.832 -12.201 33 2HB GLN 5 1HB GLN 5 14.818 -6.990 -13.935 34 1HG GLN 5 2HG GLN 5 14.066 -4.687 -14.072 35 2HG GLN 5 1HG GLN 5 14.210 -4.518 -12.324 36 1HE2 GLN 5 1HE2 GLN 5 15.515 -3.028 -14.461 37 2HE2 GLN 5 2HE2 GLN 5 17.214 -3.213 -14.198 38 HA PRO 6 HA PRO 6 10.629 -6.155 -9.445 39 1HB PRO 6 2HB PRO 6 10.187 -8.949 -8.699 40 2HB PRO 6 1HB PRO 6 9.003 -7.694 -9.073 41 1HG PRO 6 2HG PRO 6 9.452 -9.794 -10.706 42 2HG PRO 6 1HG PRO 6 8.993 -8.194 -11.321 43 1HD PRO 6 2HD PRO 6 11.700 -9.477 -11.200 44 2HD PRO 6 1HD PRO 6 10.966 -8.524 -12.509 45 H SER 7 H SER 7 11.164 -5.982 -7.279 46 HA SER 7 HA SER 7 13.700 -7.205 -6.523 47 1HB SER 7 2HB SER 7 13.444 -4.778 -6.165 48 2HB SER 7 1HB SER 7 12.068 -5.078 -5.103 49 HG SER 7 HG SER 7 14.800 -5.559 -4.674 50 H ARG 8 H ARG 8 10.757 -6.503 -4.607 51 HA ARG 8 HA ARG 8 10.780 -9.300 -3.724 52 1HB ARG 8 2HB ARG 8 10.473 -6.889 -1.926 53 2HB ARG 8 1HB ARG 8 10.340 -8.565 -1.423 54 1HG ARG 8 2HG ARG 8 12.669 -8.942 -1.935 55 2HG ARG 8 1HG ARG 8 12.807 -7.309 -2.576 56 1HD ARG 8 2HD ARG 8 12.089 -6.518 -0.259 57 2HD ARG 8 1HD ARG 8 12.406 -8.169 0.275 58 HE ARG 8 HE ARG 8 14.603 -7.059 -1.168 59 1HH1 ARG 8 1HH1 ARG 8 13.110 -7.282 1.992 60 2HH1 ARG 8 2HH1 ARG 8 14.537 -6.752 2.836 61 1HH2 ARG 8 1HH2 ARG 8 16.470 -6.381 -0.072 62 2HH2 ARG 8 2HH2 ARG 8 16.453 -6.259 1.662 63 H SER 9 H SER 9 8.762 -9.582 -2.248 64 HA SER 9 HA SER 9 6.461 -8.223 -3.477 65 1HB SER 9 2HB SER 9 6.594 -11.133 -2.631 66 2HB SER 9 1HB SER 9 5.195 -10.316 -3.326 67 HG SER 9 HG SER 9 7.674 -10.903 -4.568 68 H TYR 10 H TYR 10 5.040 -7.363 -2.060 69 HA TYR 10 HA TYR 10 5.636 -7.808 0.797 70 1HB TYR 10 2HB TYR 10 4.612 -5.297 -0.559 71 2HB TYR 10 1HB TYR 10 4.881 -5.479 1.169 72 HD1 TYR 10 1HD TYR 10 6.574 -5.348 -2.122 73 HD2 TYR 10 2HD TYR 10 7.037 -5.165 2.105 74 HE1 TYR 10 1HE TYR 10 8.881 -4.551 -2.418 75 HE2 TYR 10 2HE TYR 10 9.347 -4.371 1.820 76 HH TYR 10 HH TYR 10 11.088 -4.261 0.263 77 H ARG 11 H ARG 11 3.928 -7.899 2.246 78 HA ARG 11 HA ARG 11 1.266 -8.307 1.068 79 1HB ARG 11 2HB ARG 11 2.280 -9.089 3.809 80 2HB ARG 11 1HB ARG 11 0.719 -9.502 3.123 81 1HG ARG 11 2HG ARG 11 1.800 -10.885 1.442 82 2HG ARG 11 1HG ARG 11 3.384 -10.445 2.084 83 1HD ARG 11 2HD ARG 11 2.680 -12.638 2.899 84 2HD ARG 11 1HD ARG 11 2.814 -11.478 4.221 85 HE ARG 11 HE ARG 11 0.158 -11.638 3.154 86 1HH1 ARG 11 1HH1 ARG 11 2.415 -13.182 5.354 87 2HH1 ARG 11 2HH1 ARG 11 1.161 -13.860 6.352 88 1HH2 ARG 11 1HH2 ARG 11 -1.476 -12.512 4.464 89 2HH2 ARG 11 2HH2 ARG 11 -1.054 -13.470 5.852 90 H ILE 12 H ILE 12 -0.538 -7.320 2.105 91 HA ILE 12 HA ILE 12 0.182 -4.832 3.481 92 HB ILE 12 HB ILE 12 -2.546 -5.646 2.451 93 1HG1 ILE 12 2HG1 ILE 12 -0.436 -3.927 1.124 94 2HG1 ILE 12 1HG1 ILE 12 -0.950 -5.525 0.591 95 1HG2 ILE 12 1HG2 ILE 12 -1.438 -2.964 3.273 96 2HG2 ILE 12 2HG2 ILE 12 -2.593 -3.935 4.184 97 3HG2 ILE 12 3HG2 ILE 12 -3.053 -3.254 2.624 98 1HD1 ILE 12 1HD1 ILE 12 -3.184 -4.638 0.133 99 2HD1 ILE 12 2HD1 ILE 12 -1.937 -3.783 -0.776 100 3HD1 ILE 12 3HD1 ILE 12 -2.651 -3.039 0.656 101 H THR 13 H THR 13 0.382 -5.174 5.616 102 HA THR 13 HA THR 13 -1.036 -7.134 7.088 103 HB THR 13 HB THR 13 -0.134 -4.869 8.662 104 HG1 THR 13 1HG THR 13 2.137 -5.304 8.047 105 1HG2 THR 13 1HG2 THR 13 1.240 -6.614 9.733 106 2HG2 THR 13 2HG2 THR 13 0.762 -7.745 8.466 107 3HG2 THR 13 3HG2 THR 13 -0.448 -7.104 9.577 108 H GLY 14 H GLY 14 -1.591 -3.808 6.278 109 1HA GLY 14 2HA GLY 14 -4.276 -3.669 6.535 110 2HA GLY 14 1HA GLY 14 -3.718 -3.420 8.184 111 H TYR 15 H TYR 15 -4.547 -1.293 8.164 112 HA TYR 15 HA TYR 15 -3.221 0.586 6.344 113 1HB TYR 15 2HB TYR 15 -5.502 1.075 8.277 114 2HB TYR 15 1HB TYR 15 -4.906 2.202 7.062 115 HD1 TYR 15 1HD TYR 15 -6.917 -0.782 7.669 116 HD2 TYR 15 2HD TYR 15 -5.410 1.853 4.692 117 HE1 TYR 15 1HE TYR 15 -8.537 -1.690 6.056 118 HE2 TYR 15 2HE TYR 15 -7.023 0.951 3.071 119 HH TYR 15 HH TYR 15 -8.345 -1.054 2.704 120 H SER 16 H SER 16 -2.355 2.586 7.272 121 HA SER 16 HA SER 16 -0.867 2.193 9.665 122 1HB SER 16 2HB SER 16 -0.103 3.708 7.880 123 2HB SER 16 1HB SER 16 -1.492 4.755 8.168 124 HG SER 16 HG SER 16 0.874 4.542 9.544 125 HA PRO 17 HA PRO 17 -4.120 3.016 12.554 126 1HB PRO 17 2HB PRO 17 -2.560 3.701 14.706 127 2HB PRO 17 1HB PRO 17 -2.880 2.040 14.196 128 1HG PRO 17 2HG PRO 17 -0.496 3.762 13.656 129 2HG PRO 17 1HG PRO 17 -0.563 2.042 14.079 130 1HD PRO 17 2HD PRO 17 -0.161 2.869 11.551 131 2HD PRO 17 1HD PRO 17 -1.095 1.404 11.919 132 H ALA 18 H ALA 18 -1.976 5.329 11.358 133 HA ALA 18 HA ALA 18 -3.098 7.538 12.879 134 1HB ALA 18 1HB ALA 18 -1.495 8.923 11.669 135 2HB ALA 18 2HB ALA 18 -1.047 7.542 10.667 136 3HB ALA 18 3HB ALA 18 -0.699 7.526 12.396 137 H ILE 19 H ILE 19 -4.166 5.757 10.350 138 HA ILE 19 HA ILE 19 -4.999 7.839 8.563 139 HB ILE 19 HB ILE 19 -4.663 5.417 7.912 140 1HG1 ILE 19 2HG1 ILE 19 -7.357 6.610 7.220 141 2HG1 ILE 19 1HG1 ILE 19 -5.831 7.069 6.475 142 1HG2 ILE 19 1HG2 ILE 19 -5.826 4.360 9.760 143 2HG2 ILE 19 2HG2 ILE 19 -6.554 3.880 8.226 144 3HG2 ILE 19 3HG2 ILE 19 -7.350 5.083 9.243 145 1HD1 ILE 19 1HD1 ILE 19 -7.067 4.331 6.359 146 2HD1 ILE 19 2HD1 ILE 19 -5.571 4.837 5.571 147 3HD1 ILE 19 3HD1 ILE 19 -7.111 5.539 5.075 148 H SER 20 H SER 20 -7.112 8.695 8.296 149 HA SER 20 HA SER 20 -9.180 8.063 10.179 150 1HB SER 20 2HB SER 20 -7.531 9.511 11.467 151 2HB SER 20 1HB SER 20 -7.942 10.820 10.362 152 HG SER 20 HG SER 20 -9.218 10.980 12.202 153 H ASN 21 H ASN 21 -10.909 9.960 10.005 154 HA ASN 21 HA ASN 21 -12.339 11.233 8.814 155 1HB ASN 21 2HB ASN 21 -10.262 12.490 8.174 156 2HB ASN 21 1HB ASN 21 -10.177 11.508 6.716 157 1HD2 ASN 21 1HD2 ASN 21 -11.390 12.065 4.994 158 2HD2 ASN 21 2HD2 ASN 21 -12.501 13.392 4.958 159 H GLY 22 H GLY 22 -11.502 8.249 8.075 160 1HA GLY 22 2HA GLY 22 -12.931 6.682 7.063 161 2HA GLY 22 1HA GLY 22 -13.733 7.997 6.222 162 H TYR 23 H TYR 23 -10.337 8.118 5.988 163 HA TYR 23 HA TYR 23 -10.389 7.767 3.184 164 1HB TYR 23 2HB TYR 23 -8.661 9.031 4.682 165 2HB TYR 23 1HB TYR 23 -7.863 7.464 4.788 166 HD1 TYR 23 1HD TYR 23 -7.086 6.357 2.650 167 HD2 TYR 23 2HD TYR 23 -8.423 10.390 2.770 168 HE1 TYR 23 1HE TYR 23 -5.987 6.778 0.494 169 HE2 TYR 23 2HE TYR 23 -7.324 10.821 0.612 170 HH TYR 23 HH TYR 23 -5.257 9.697 -0.665 171 H ARG 24 H ARG 24 -9.956 5.579 5.825 172 HA ARG 24 HA ARG 24 -8.840 3.323 4.680 173 1HB ARG 24 2HB ARG 24 -9.403 3.442 7.027 174 2HB ARG 24 1HB ARG 24 -11.104 3.647 6.658 175 1HG ARG 24 2HG ARG 24 -10.968 1.327 5.597 176 2HG ARG 24 1HG ARG 24 -9.432 1.178 6.454 177 1HD ARG 24 2HD ARG 24 -10.571 1.661 8.572 178 2HD ARG 24 1HD ARG 24 -12.102 1.804 7.713 179 HE ARG 24 HE ARG 24 -10.555 -0.706 7.930 180 1HH1 ARG 24 1HH1 ARG 24 -13.588 1.033 7.733 181 2HH1 ARG 24 2HH1 ARG 24 -14.574 -0.375 7.975 182 1HH2 ARG 24 1HH2 ARG 24 -11.828 -2.566 8.269 183 2HH2 ARG 24 2HH2 ARG 24 -13.563 -2.437 8.300 184 H GLN 25 H GLN 25 -12.231 4.356 4.683 185 HA GLN 25 HA GLN 25 -13.204 2.185 3.193 186 1HB GLN 25 2HB GLN 25 -14.227 4.909 3.875 187 2HB GLN 25 1HB GLN 25 -15.117 3.898 2.762 188 1HG GLN 25 2HG GLN 25 -15.268 2.151 4.467 189 2HG GLN 25 1HG GLN 25 -14.371 3.180 5.581 190 1HE2 GLN 25 1HE2 GLN 25 -15.689 5.611 4.698 191 2HE2 GLN 25 2HE2 GLN 25 -17.291 5.569 5.355 192 H ARG 26 H ARG 26 -11.720 5.187 2.270 193 HA ARG 26 HA ARG 26 -12.448 5.022 -0.493 194 1HB ARG 26 2HB ARG 26 -11.765 7.141 0.672 195 2HB ARG 26 1HB ARG 26 -10.124 6.518 0.733 196 1HG ARG 26 2HG ARG 26 -10.408 8.078 -1.113 197 2HG ARG 26 1HG ARG 26 -10.050 6.454 -1.707 198 1HD ARG 26 2HD ARG 26 -12.431 6.088 -2.125 199 2HD ARG 26 1HD ARG 26 -12.788 7.708 -1.529 200 HE ARG 26 HE ARG 26 -10.909 7.886 -3.622 201 1HH1 ARG 26 1HH1 ARG 26 -14.279 7.072 -3.080 202 2HH1 ARG 26 2HH1 ARG 26 -14.790 7.588 -4.664 203 1HH2 ARG 26 1HH2 ARG 26 -11.585 8.605 -5.689 204 2HH2 ARG 26 2HH2 ARG 26 -13.268 8.512 -6.126 205 H LEU 27 H LEU 27 -9.688 4.079 1.466 206 HA LEU 27 HA LEU 27 -8.041 3.215 -0.677 207 1HB LEU 27 2HB LEU 27 -8.054 2.617 2.271 208 2HB LEU 27 1HB LEU 27 -6.883 1.893 1.187 209 HG LEU 27 HG LEU 27 -7.236 4.848 1.692 210 1HD1 LEU 27 1HD1 LEU 27 -5.039 2.939 2.469 211 2HD1 LEU 27 2HD1 LEU 27 -6.199 3.696 3.561 212 3HD1 LEU 27 3HD1 LEU 27 -5.013 4.685 2.709 213 1HD2 LEU 27 1HD2 LEU 27 -5.233 5.115 0.313 214 2HD2 LEU 27 2HD2 LEU 27 -6.567 4.423 -0.609 215 3HD2 LEU 27 3HD2 LEU 27 -5.254 3.388 -0.049 216 H PHE 28 H PHE 28 -10.300 1.533 1.455 217 HA PHE 28 HA PHE 28 -9.918 -1.065 0.478 218 1HB PHE 28 2HB PHE 28 -11.297 -0.325 2.486 219 2HB PHE 28 1HB PHE 28 -12.580 0.060 1.350 220 HD1 PHE 28 1HD PHE 28 -10.599 -2.648 2.833 221 HD2 PHE 28 2HD PHE 28 -13.873 -1.661 0.296 222 HE1 PHE 28 1HE PHE 28 -11.352 -4.990 2.900 223 HE2 PHE 28 2HE PHE 28 -14.632 -4.002 0.363 224 HZ PHE 28 HZ PHE 28 -13.371 -5.669 1.665 225 H SER 29 H SER 29 -12.057 1.522 -0.579 226 HA SER 29 HA SER 29 -13.346 0.160 -2.673 227 1HB SER 29 2HB SER 29 -12.761 3.107 -2.331 228 2HB SER 29 1HB SER 29 -13.868 2.437 -3.524 229 HG SER 29 HG SER 29 -14.088 2.455 -0.703 230 H MET 30 H MET 30 -10.258 1.760 -2.483 231 HA MET 30 HA MET 30 -9.798 1.746 -5.326 232 1HB MET 30 2HB MET 30 -8.023 2.364 -2.967 233 2HB MET 30 1HB MET 30 -7.446 2.390 -4.626 234 1HG MET 30 2HG MET 30 -9.041 4.126 -5.186 235 2HG MET 30 1HG MET 30 -9.699 4.071 -3.552 236 1HE MET 30 1HE MET 30 -6.574 4.972 -5.761 237 2HE MET 30 2HE MET 30 -5.915 3.809 -4.612 238 3HE MET 30 3HE MET 30 -5.418 5.499 -4.537 239 H GLY 31 H GLY 31 -9.474 -0.518 -2.793 240 1HA GLY 31 2HA GLY 31 -9.203 -2.829 -3.475 241 2HA GLY 31 1HA GLY 31 -8.032 -2.286 -4.666 242 H LEU 32 H LEU 32 -7.682 -0.670 -1.737 243 HA LEU 32 HA LEU 32 -5.366 -2.343 -1.077 244 1HB LEU 32 2HB LEU 32 -6.051 0.463 -0.198 245 2HB LEU 32 1HB LEU 32 -4.580 -0.399 0.215 246 HG LEU 32 HG LEU 32 -5.403 0.390 -2.584 247 1HD1 LEU 32 1HD1 LEU 32 -3.609 2.025 -2.448 248 2HD1 LEU 32 2HD1 LEU 32 -3.305 1.566 -0.771 249 3HD1 LEU 32 3HD1 LEU 32 -4.834 2.326 -1.213 250 1HD2 LEU 32 1HD2 LEU 32 -3.130 -0.275 -3.192 251 2HD2 LEU 32 2HD2 LEU 32 -4.045 -1.633 -2.536 252 3HD2 LEU 32 3HD2 LEU 32 -2.843 -0.816 -1.537 253 H LEU 33 H LEU 33 -6.076 -3.929 0.228 254 HA LEU 33 HA LEU 33 -7.457 -3.135 2.684 255 1HB LEU 33 2HB LEU 33 -8.843 -5.115 2.579 256 2HB LEU 33 1HB LEU 33 -9.088 -4.135 1.151 257 HG LEU 33 HG LEU 33 -7.209 -6.480 1.088 258 1HD1 LEU 33 1HD1 LEU 33 -9.361 -7.279 1.966 259 2HD1 LEU 33 2HD1 LEU 33 -9.037 -7.886 0.341 260 3HD1 LEU 33 3HD1 LEU 33 -10.179 -6.561 0.578 261 1HD2 LEU 33 1HD2 LEU 33 -7.866 -6.485 -1.288 262 2HD2 LEU 33 2HD2 LEU 33 -7.125 -4.963 -0.797 263 3HD2 LEU 33 3HD2 LEU 33 -8.874 -5.068 -0.992 264 HA PRO 34 HA PRO 34 -4.447 -5.601 4.837 265 1HB PRO 34 2HB PRO 34 -6.612 -6.628 6.557 266 2HB PRO 34 1HB PRO 34 -5.196 -5.666 6.992 267 1HG PRO 34 2HG PRO 34 -7.661 -4.612 6.993 268 2HG PRO 34 1HG PRO 34 -6.240 -3.666 6.515 269 1HD PRO 34 2HD PRO 34 -8.321 -4.961 4.794 270 2HD PRO 34 1HD PRO 34 -7.538 -3.376 4.619 271 H GLY 35 H GLY 35 -3.613 -7.475 4.190 272 1HA GLY 35 2HA GLY 35 -3.740 -9.889 4.221 273 2HA GLY 35 1HA GLY 35 -5.444 -9.758 3.821 274 H ALA 36 H ALA 36 -3.972 -7.493 1.967 275 HA ALA 36 HA ALA 36 -4.015 -9.220 -0.354 276 1HB ALA 36 1HB ALA 36 -5.145 -7.027 -0.422 277 2HB ALA 36 2HB ALA 36 -3.881 -7.168 -1.644 278 3HB ALA 36 3HB ALA 36 -3.587 -6.237 -0.175 279 H ALA 37 H ALA 37 -2.221 -8.128 -1.989 280 HA ALA 37 HA ALA 37 0.399 -8.012 -0.814 281 1HB ALA 37 1HB ALA 37 -0.337 -10.405 -2.500 282 2HB ALA 37 2HB ALA 37 -0.030 -10.429 -0.765 283 3HB ALA 37 3HB ALA 37 1.271 -10.021 -1.883 284 H LEU 38 H LEU 38 1.952 -7.298 -2.259 285 HA LEU 38 HA LEU 38 1.137 -6.798 -5.036 286 1HB LEU 38 2HB LEU 38 2.333 -4.720 -3.198 287 2HB LEU 38 1HB LEU 38 2.051 -4.513 -4.910 288 HG LEU 38 HG LEU 38 -0.145 -4.963 -2.885 289 1HD1 LEU 38 1HD1 LEU 38 -0.624 -2.578 -3.179 290 2HD1 LEU 38 2HD1 LEU 38 0.823 -2.415 -4.173 291 3HD1 LEU 38 3HD1 LEU 38 0.968 -2.843 -2.469 292 1HD2 LEU 38 1HD2 LEU 38 -0.211 -4.103 -5.779 293 2HD2 LEU 38 2HD2 LEU 38 -1.604 -4.227 -4.704 294 3HD2 LEU 38 3HD2 LEU 38 -0.707 -5.677 -5.155 295 H ARG 39 H ARG 39 2.766 -6.990 -6.470 296 HA ARG 39 HA ARG 39 5.426 -7.653 -5.417 297 1HB ARG 39 2HB ARG 39 4.246 -9.261 -6.984 298 2HB ARG 39 1HB ARG 39 4.418 -8.043 -8.240 299 1HG ARG 39 2HG ARG 39 6.859 -8.134 -7.968 300 2HG ARG 39 1HG ARG 39 6.661 -9.402 -6.760 301 1HD ARG 39 2HD ARG 39 5.921 -9.528 -9.679 302 2HD ARG 39 1HD ARG 39 7.219 -10.405 -8.872 303 HE ARG 39 HE ARG 39 4.366 -10.991 -8.764 304 1HH1 ARG 39 1HH1 ARG 39 7.604 -11.756 -7.652 305 2HH1 ARG 39 2HH1 ARG 39 7.160 -13.333 -7.067 306 1HH2 ARG 39 1HH2 ARG 39 3.790 -13.046 -8.010 307 2HH2 ARG 39 2HH2 ARG 39 4.982 -14.063 -7.243 308 H VAL 40 H VAL 40 7.038 -6.216 -5.635 309 HA VAL 40 HA VAL 40 6.448 -3.676 -6.846 310 HB VAL 40 HB VAL 40 7.806 -3.969 -4.727 311 1HG1 VAL 40 1HG1 VAL 40 10.194 -4.321 -4.935 312 2HG1 VAL 40 2HG1 VAL 40 9.991 -4.686 -6.649 313 3HG1 VAL 40 3HG1 VAL 40 9.274 -5.743 -5.431 314 1HG2 VAL 40 1HG2 VAL 40 9.277 -2.079 -5.228 315 2HG2 VAL 40 2HG2 VAL 40 7.658 -1.847 -5.891 316 3HG2 VAL 40 3HG2 VAL 40 8.986 -2.321 -6.951 317 H VAL 41 H VAL 41 6.743 -3.118 -8.842 318 HA VAL 41 HA VAL 41 8.417 -4.789 -10.556 319 HB VAL 41 HB VAL 41 6.605 -2.485 -11.324 320 1HG1 VAL 41 1HG1 VAL 41 6.804 -3.380 -13.594 321 2HG1 VAL 41 2HG1 VAL 41 7.938 -4.601 -13.014 322 3HG1 VAL 41 3HG1 VAL 41 8.370 -2.891 -12.949 323 1HG2 VAL 41 1HG2 VAL 41 5.329 -4.316 -10.346 324 2HG2 VAL 41 2HG2 VAL 41 6.106 -5.461 -11.441 325 3HG2 VAL 41 3HG2 VAL 41 5.041 -4.211 -12.082 326 H ARG 42 H ARG 42 8.023 -1.325 -9.730 327 HA ARG 42 HA ARG 42 10.865 -0.901 -10.184 328 1HB ARG 42 2HB ARG 42 8.769 0.410 -11.912 329 2HB ARG 42 1HB ARG 42 10.405 1.026 -11.754 330 1HG ARG 42 2HG ARG 42 11.276 -1.076 -12.650 331 2HG ARG 42 1HG ARG 42 9.626 -1.673 -12.833 332 1HD ARG 42 2HD ARG 42 9.146 0.198 -14.360 333 2HD ARG 42 1HD ARG 42 10.816 0.740 -14.198 334 HE ARG 42 HE ARG 42 10.621 -1.979 -15.059 335 1HH1 ARG 42 1HH1 ARG 42 10.530 1.351 -16.148 336 2HH1 ARG 42 2HH1 ARG 42 10.969 0.968 -17.781 337 1HH2 ARG 42 1HH2 ARG 42 11.180 -2.493 -17.208 338 2HH2 ARG 42 2HH2 ARG 42 11.340 -1.215 -18.385 339 H ILE 43 H ILE 43 11.672 0.684 -8.946 340 HA ILE 43 HA ILE 43 9.855 2.836 -8.031 341 HB ILE 43 HB ILE 43 12.521 2.031 -6.792 342 1HG1 ILE 43 2HG1 ILE 43 10.927 1.557 -4.775 343 2HG1 ILE 43 1HG1 ILE 43 9.690 1.401 -6.015 344 1HG2 ILE 43 1HG2 ILE 43 12.116 4.407 -6.561 345 2HG2 ILE 43 2HG2 ILE 43 11.910 3.616 -4.999 346 3HG2 ILE 43 3HG2 ILE 43 10.497 4.098 -5.933 347 1HD1 ILE 43 1HD1 ILE 43 10.565 -0.764 -5.445 348 2HD1 ILE 43 2HD1 ILE 43 12.209 -0.224 -5.784 349 3HD1 ILE 43 3HD1 ILE 43 11.037 -0.353 -7.095 350 H ALA 44 H ALA 44 10.600 4.966 -8.495 351 HA ALA 44 HA ALA 44 12.522 5.166 -10.647 352 1HB ALA 44 1HB ALA 44 10.997 7.350 -9.231 353 2HB ALA 44 2HB ALA 44 10.461 6.506 -10.688 354 3HB ALA 44 3HB ALA 44 11.906 7.521 -10.732 355 HA PRO 45 HA PRO 45 16.066 6.056 -8.105 356 1HB PRO 45 2HB PRO 45 17.562 7.361 -9.985 357 2HB PRO 45 1HB PRO 45 17.383 5.604 -9.923 358 1HG PRO 45 2HG PRO 45 15.960 7.595 -11.644 359 2HG PRO 45 1HG PRO 45 16.614 6.003 -12.075 360 1HD PRO 45 2HD PRO 45 13.986 6.397 -11.620 361 2HD PRO 45 1HD PRO 45 14.801 4.879 -11.192 362 H LEU 46 H LEU 46 13.969 8.362 -9.377 363 HA LEU 46 HA LEU 46 15.199 10.775 -8.573 364 1HB LEU 46 2HB LEU 46 12.347 9.939 -9.010 365 2HB LEU 46 1HB LEU 46 12.713 11.522 -8.359 366 HG LEU 46 HG LEU 46 12.375 11.805 -10.684 367 1HD1 LEU 46 1HD1 LEU 46 14.262 13.054 -9.796 368 2HD1 LEU 46 2HD1 LEU 46 14.545 12.597 -11.475 369 3HD1 LEU 46 3HD1 LEU 46 15.344 11.714 -10.175 370 1HD2 LEU 46 1HD2 LEU 46 13.623 10.521 -12.381 371 2HD2 LEU 46 2HD2 LEU 46 12.556 9.510 -11.407 372 3HD2 LEU 46 3HD2 LEU 46 14.290 9.515 -11.094 373 H GLY 47 H GLY 47 13.330 8.343 -6.938 374 1HA GLY 47 2HA GLY 47 14.109 8.666 -4.393 375 2HA GLY 47 1HA GLY 47 12.912 9.935 -4.575 376 H ASP 48 H ASP 48 10.744 9.297 -5.320 377 HA ASP 48 HA ASP 48 10.121 6.484 -5.008 378 1HB ASP 48 2HB ASP 48 9.972 6.962 -2.765 379 2HB ASP 48 1HB ASP 48 9.446 8.610 -3.034 380 HA PRO 49 HA PRO 49 6.175 6.762 -6.196 381 1HB PRO 49 2HB PRO 49 6.170 5.558 -8.592 382 2HB PRO 49 1HB PRO 49 6.392 7.306 -8.484 383 1HG PRO 49 2HG PRO 49 8.323 5.262 -9.270 384 2HG PRO 49 1HG PRO 49 8.453 7.023 -9.410 385 1HD PRO 49 2HD PRO 49 9.473 5.236 -7.278 386 2HD PRO 49 1HD PRO 49 9.990 6.880 -7.718 387 H ILE 50 H ILE 50 5.109 4.472 -6.823 388 HA ILE 50 HA ILE 50 7.048 2.307 -6.492 389 HB ILE 50 HB ILE 50 4.485 2.429 -4.858 390 1HG1 ILE 50 2HG1 ILE 50 7.389 2.536 -3.989 391 2HG1 ILE 50 1HG1 ILE 50 6.243 3.872 -3.927 392 1HG2 ILE 50 1HG2 ILE 50 6.627 0.310 -4.984 393 2HG2 ILE 50 2HG2 ILE 50 4.988 0.174 -5.622 394 3HG2 ILE 50 3HG2 ILE 50 5.249 0.320 -3.884 395 1HD1 ILE 50 1HD1 ILE 50 4.904 2.622 -2.294 396 2HD1 ILE 50 2HD1 ILE 50 6.553 2.904 -1.735 397 3HD1 ILE 50 3HD1 ILE 50 6.089 1.316 -2.344 398 H GLN 51 H GLN 51 6.852 1.519 -8.479 399 HA GLN 51 HA GLN 51 4.231 1.119 -9.678 400 1HB GLN 51 2HB GLN 51 6.593 1.789 -10.776 401 2HB GLN 51 1HB GLN 51 6.719 0.046 -10.920 402 1HG GLN 51 2HG GLN 51 4.392 1.630 -11.976 403 2HG GLN 51 1HG GLN 51 5.821 1.233 -12.929 404 1HE2 GLN 51 1HE2 GLN 51 2.952 0.014 -11.416 405 2HE2 GLN 51 2HE2 GLN 51 2.975 -1.546 -12.167 406 H VAL 52 H VAL 52 3.111 -0.635 -9.117 407 HA VAL 52 HA VAL 52 4.550 -3.157 -8.593 408 HB VAL 52 HB VAL 52 2.864 -3.685 -6.842 409 1HG1 VAL 52 1HG1 VAL 52 3.784 -2.193 -5.096 410 2HG1 VAL 52 2HG1 VAL 52 4.537 -1.225 -6.365 411 3HG1 VAL 52 3HG1 VAL 52 5.019 -2.904 -6.132 412 1HG2 VAL 52 1HG2 VAL 52 1.534 -1.859 -5.874 413 2HG2 VAL 52 2HG2 VAL 52 1.083 -2.196 -7.545 414 3HG2 VAL 52 3HG2 VAL 52 2.078 -0.790 -7.167 415 H GLU 53 H GLU 53 2.687 -4.948 -8.359 416 HA GLU 53 HA GLU 53 0.605 -4.457 -10.375 417 1HB GLU 53 2HB GLU 53 2.506 -5.778 -11.373 418 2HB GLU 53 1HB GLU 53 2.188 -7.033 -10.183 419 1HG GLU 53 2HG GLU 53 -0.053 -7.340 -11.091 420 2HG GLU 53 1HG GLU 53 0.250 -6.069 -12.275 421 H THR 54 H THR 54 -1.377 -5.137 -9.754 422 HA THR 54 HA THR 54 -1.688 -5.975 -7.026 423 HB THR 54 HB THR 54 -3.876 -5.809 -9.099 424 HG1 THR 54 1HG THR 54 -3.224 -3.616 -7.466 425 1HG2 THR 54 1HG2 THR 54 -5.253 -5.172 -7.162 426 2HG2 THR 54 2HG2 THR 54 -3.849 -5.340 -6.110 427 3HG2 THR 54 3HG2 THR 54 -4.510 -6.756 -6.926 428 H ARG 55 H ARG 55 -1.790 -7.481 -10.136 429 HA ARG 55 HA ARG 55 -1.487 -10.086 -9.361 430 1HB ARG 55 2HB ARG 55 -3.660 -11.124 -9.534 431 2HB ARG 55 1HB ARG 55 -3.743 -9.877 -8.299 432 1HG ARG 55 2HG ARG 55 -4.941 -8.417 -9.742 433 2HG ARG 55 1HG ARG 55 -4.655 -9.461 -11.135 434 1HD ARG 55 2HD ARG 55 -6.878 -9.866 -10.457 435 2HD ARG 55 1HD ARG 55 -5.937 -11.250 -9.908 436 HE ARG 55 HE ARG 55 -6.812 -9.046 -8.148 437 1HH1 ARG 55 1HH1 ARG 55 -6.035 -12.412 -8.716 438 2HH1 ARG 55 2HH1 ARG 55 -6.614 -12.944 -7.164 439 1HH2 ARG 55 1HH2 ARG 55 -7.630 -9.735 -6.128 440 2HH2 ARG 55 2HH2 ARG 55 -7.543 -11.413 -5.694 441 H GLN 56 H GLN 56 -2.736 -7.768 -11.586 442 HA GLN 56 HA GLN 56 -1.569 -9.190 -13.805 443 1HB GLN 56 2HB GLN 56 -4.246 -9.650 -13.293 444 2HB GLN 56 1HB GLN 56 -4.291 -8.364 -14.490 445 1HG GLN 56 2HG GLN 56 -2.886 -11.009 -14.792 446 2HG GLN 56 1HG GLN 56 -4.424 -10.561 -15.524 447 1HE2 GLN 56 1HE2 GLN 56 -0.979 -10.143 -15.598 448 2HE2 GLN 56 2HE2 GLN 56 -0.914 -9.350 -17.135 449 H THR 57 H THR 57 -3.345 -6.413 -12.571 450 HA THR 57 HA THR 57 -2.411 -4.787 -14.804 451 HB THR 57 HB THR 57 -4.768 -4.531 -14.268 452 HG1 THR 57 1HG THR 57 -4.476 -2.513 -14.771 453 1HG2 THR 57 1HG2 THR 57 -4.716 -5.183 -11.919 454 2HG2 THR 57 2HG2 THR 57 -5.512 -3.620 -12.111 455 3HG2 THR 57 3HG2 THR 57 -3.856 -3.703 -11.509 456 H SER 58 H SER 58 -1.021 -3.097 -14.562 457 HA SER 58 HA SER 58 0.656 -3.098 -12.219 458 1HB SER 58 2HB SER 58 0.737 -1.334 -14.678 459 2HB SER 58 1HB SER 58 1.999 -1.458 -13.454 460 HG SER 58 HG SER 58 1.083 -3.548 -15.163 461 H LEU 59 H LEU 59 0.966 -1.393 -10.785 462 HA LEU 59 HA LEU 59 -0.904 0.854 -10.926 463 1HB LEU 59 2HB LEU 59 -1.885 -0.955 -9.510 464 2HB LEU 59 1HB LEU 59 -0.498 -0.823 -8.448 465 HG LEU 59 HG LEU 59 -1.140 1.530 -7.964 466 1HD1 LEU 59 1HD1 LEU 59 -3.393 2.276 -8.571 467 2HD1 LEU 59 2HD1 LEU 59 -3.604 0.825 -9.551 468 3HD1 LEU 59 3HD1 LEU 59 -2.382 2.017 -9.992 469 1HD2 LEU 59 1HD2 LEU 59 -1.787 -0.271 -6.461 470 2HD2 LEU 59 2HD2 LEU 59 -3.251 -0.549 -7.405 471 3HD2 LEU 59 3HD2 LEU 59 -3.040 0.968 -6.529 472 H ALA 60 H ALA 60 -0.296 2.641 -9.500 473 HA ALA 60 HA ALA 60 2.460 2.567 -8.515 474 1HB ALA 60 1HB ALA 60 1.375 4.757 -10.286 475 2HB ALA 60 2HB ALA 60 2.549 3.534 -10.774 476 3HB ALA 60 3HB ALA 60 2.970 4.717 -9.537 477 H LEU 61 H LEU 61 2.913 4.301 -6.967 478 HA LEU 61 HA LEU 61 0.768 5.887 -5.957 479 1HB LEU 61 2HB LEU 61 0.663 4.820 -3.726 480 2HB LEU 61 1HB LEU 61 0.020 3.805 -4.998 481 HG LEU 61 HG LEU 61 2.529 2.865 -4.908 482 1HD1 LEU 61 1HD1 LEU 61 3.210 4.368 -3.111 483 2HD1 LEU 61 2HD1 LEU 61 3.264 2.683 -2.594 484 3HD1 LEU 61 3HD1 LEU 61 1.932 3.719 -2.083 485 1HD2 LEU 61 1HD2 LEU 61 1.647 1.056 -3.486 486 2HD2 LEU 61 2HD2 LEU 61 0.531 1.516 -4.773 487 3HD2 LEU 61 3HD2 LEU 61 0.245 2.059 -3.118 488 H ARG 62 H ARG 62 1.522 6.983 -3.834 489 HA ARG 62 HA ARG 62 4.388 7.536 -4.175 490 1HB ARG 62 2HB ARG 62 2.264 9.311 -2.973 491 2HB ARG 62 1HB ARG 62 3.948 9.738 -3.218 492 1HG ARG 62 2HG ARG 62 2.787 10.783 -4.927 493 2HG ARG 62 1HG ARG 62 3.520 9.380 -5.693 494 1HD ARG 62 2HD ARG 62 1.534 8.465 -6.178 495 2HD ARG 62 1HD ARG 62 0.866 8.861 -4.596 496 HE ARG 62 HE ARG 62 0.998 10.767 -6.852 497 1HH1 ARG 62 1HH1 ARG 62 -0.591 9.405 -4.030 498 2HH1 ARG 62 2HH1 ARG 62 -1.976 10.459 -4.152 499 1HH2 ARG 62 1HH2 ARG 62 -0.812 12.159 -7.004 500 2HH2 ARG 62 2HH2 ARG 62 -2.093 12.034 -5.841 501 H ARG 63 H ARG 63 5.470 8.358 -2.243 502 HA ARG 63 HA ARG 63 5.429 6.589 -0.106 503 1HB ARG 63 2HB ARG 63 6.776 8.413 1.087 504 2HB ARG 63 1HB ARG 63 7.407 7.735 -0.393 505 1HG ARG 63 2HG ARG 63 7.834 9.974 -0.647 506 2HG ARG 63 1HG ARG 63 6.337 9.762 -1.549 507 1HD ARG 63 2HD ARG 63 5.057 10.647 0.291 508 2HD ARG 63 1HD ARG 63 6.507 10.745 1.294 509 HE ARG 63 HE ARG 63 6.607 12.227 -1.194 510 1HH1 ARG 63 1HH1 ARG 63 5.764 12.333 2.200 511 2HH1 ARG 63 2HH1 ARG 63 6.105 14.032 2.359 512 1HH2 ARG 63 1HH2 ARG 63 7.012 14.476 -0.999 513 2HH2 ARG 63 2HH2 ARG 63 6.770 15.258 0.536 514 H LYS 64 H LYS 64 3.728 9.604 -0.508 515 HA LYS 64 HA LYS 64 2.784 9.843 2.141 516 1HB LYS 64 2HB LYS 64 2.585 11.693 0.533 517 2HB LYS 64 1HB LYS 64 1.418 10.759 -0.398 518 1HG LYS 64 2HG LYS 64 -0.140 10.786 1.442 519 2HG LYS 64 1HG LYS 64 1.040 11.598 2.469 520 1HD LYS 64 2HD LYS 64 0.981 13.546 0.974 521 2HD LYS 64 1HD LYS 64 -0.231 12.732 -0.023 522 1HE LYS 64 2HE LYS 64 -1.768 12.669 1.850 523 2HE LYS 64 1HE LYS 64 -0.549 13.380 2.905 524 1HZ LYS 64 1HZ LYS 64 -1.770 14.708 0.543 525 2HZ LYS 64 2HZ LYS 64 -0.608 15.388 1.574 526 3HZ LYS 64 3HZ LYS 64 -2.151 15.019 2.167 527 H ASP 65 H ASP 65 1.404 8.230 -0.707 528 HA ASP 65 HA ASP 65 -0.926 7.275 0.579 529 1HB ASP 65 2HB ASP 65 0.542 6.068 -1.785 530 2HB ASP 65 1HB ASP 65 -1.126 5.763 -1.328 531 H LEU 66 H LEU 66 2.319 6.005 0.143 532 HA LEU 66 HA LEU 66 2.021 3.468 1.273 533 1HB LEU 66 2HB LEU 66 4.037 4.196 0.108 534 2HB LEU 66 1HB LEU 66 4.372 5.363 1.370 535 HG LEU 66 HG LEU 66 4.646 3.472 2.975 536 1HD1 LEU 66 1HD1 LEU 66 3.331 1.789 1.832 537 2HD1 LEU 66 2HD1 LEU 66 4.985 1.221 2.065 538 3HD1 LEU 66 3HD1 LEU 66 4.464 1.794 0.481 539 1HD2 LEU 66 1HD2 LEU 66 6.446 3.442 0.558 540 2HD2 LEU 66 2HD2 LEU 66 6.850 2.806 2.154 541 3HD2 LEU 66 3HD2 LEU 66 6.572 4.535 1.935 542 H ALA 67 H ALA 67 2.396 6.621 2.751 543 HA ALA 67 HA ALA 67 2.931 5.708 5.391 544 1HB ALA 67 1HB ALA 67 1.837 8.375 4.508 545 2HB ALA 67 2HB ALA 67 3.546 7.951 4.601 546 3HB ALA 67 3HB ALA 67 2.571 8.008 6.070 547 H LEU 68 H LEU 68 0.108 5.664 3.557 548 HA LEU 68 HA LEU 68 -1.658 5.835 5.882 549 1HB LEU 68 2HB LEU 68 -2.293 5.421 2.956 550 2HB LEU 68 1HB LEU 68 -3.475 5.642 4.232 551 HG LEU 68 HG LEU 68 -1.423 7.716 3.453 552 1HD1 LEU 68 1HD1 LEU 68 -4.343 7.507 2.735 553 2HD1 LEU 68 2HD1 LEU 68 -2.982 7.339 1.626 554 3HD1 LEU 68 3HD1 LEU 68 -3.300 8.890 2.403 555 1HD2 LEU 68 1HD2 LEU 68 -2.169 7.924 5.754 556 2HD2 LEU 68 2HD2 LEU 68 -3.852 7.824 5.237 557 3HD2 LEU 68 3HD2 LEU 68 -2.868 9.212 4.773 558 H LEU 69 H LEU 69 0.094 3.540 4.155 559 HA LEU 69 HA LEU 69 -1.700 1.370 5.024 560 1HB LEU 69 2HB LEU 69 0.296 1.416 2.759 561 2HB LEU 69 1HB LEU 69 -0.607 0.002 3.262 562 HG LEU 69 HG LEU 69 -1.830 2.532 2.160 563 1HD1 LEU 69 1HD1 LEU 69 -0.542 1.335 0.475 564 2HD1 LEU 69 2HD1 LEU 69 -2.271 1.179 0.165 565 3HD1 LEU 69 3HD1 LEU 69 -1.379 -0.163 0.881 566 1HD2 LEU 69 1HD2 LEU 69 -3.299 1.337 3.715 567 2HD2 LEU 69 2HD2 LEU 69 -3.058 -0.150 2.800 568 3HD2 LEU 69 3HD2 LEU 69 -3.886 1.216 2.054 569 H THR 70 H THR 70 -0.815 -0.403 6.056 570 HA THR 70 HA THR 70 2.019 -0.190 6.812 571 HB THR 70 HB THR 70 -0.073 -1.929 8.103 572 HG1 THR 70 1HG THR 70 -0.716 -0.149 9.067 573 1HG2 THR 70 1HG2 THR 70 1.548 -2.068 9.935 574 2HG2 THR 70 2HG2 THR 70 2.670 -1.067 9.015 575 3HG2 THR 70 3HG2 THR 70 2.236 -2.671 8.425 576 H LEU 71 H LEU 71 3.365 -1.504 5.800 577 HA LEU 71 HA LEU 71 2.260 -3.888 4.467 578 1HB LEU 71 2HB LEU 71 4.503 -2.116 3.491 579 2HB LEU 71 1HB LEU 71 3.903 -3.551 2.684 580 HG LEU 71 HG LEU 71 2.403 -0.960 3.085 581 1HD1 LEU 71 1HD1 LEU 71 3.481 -2.293 0.605 582 2HD1 LEU 71 2HD1 LEU 71 4.130 -0.845 1.375 583 3HD1 LEU 71 3HD1 LEU 71 2.522 -0.815 0.650 584 1HD2 LEU 71 1HD2 LEU 71 0.866 -2.824 3.235 585 2HD2 LEU 71 2HD2 LEU 71 1.535 -3.527 1.762 586 3HD2 LEU 71 3HD2 LEU 71 0.663 -1.995 1.692 587 H VAL 72 H VAL 72 3.329 -5.767 4.701 588 HA VAL 72 HA VAL 72 6.035 -5.703 5.856 589 HB VAL 72 HB VAL 72 5.515 -7.786 7.113 590 1HG1 VAL 72 1HG1 VAL 72 4.308 -6.696 8.942 591 2HG1 VAL 72 2HG1 VAL 72 3.860 -5.382 7.855 592 3HG1 VAL 72 3HG1 VAL 72 5.556 -5.654 8.260 593 1HG2 VAL 72 1HG2 VAL 72 3.168 -8.346 7.571 594 2HG2 VAL 72 2HG2 VAL 72 3.589 -8.563 5.873 595 3HG2 VAL 72 3HG2 VAL 72 2.660 -7.150 6.379 596 HA PRO 73 HA PRO 73 6.946 -8.134 2.261 597 1HB PRO 73 2HB PRO 73 9.192 -9.201 3.862 598 2HB PRO 73 1HB PRO 73 9.223 -8.337 2.323 599 1HG PRO 73 2HG PRO 73 10.019 -7.163 4.593 600 2HG PRO 73 1HG PRO 73 9.154 -6.256 3.338 601 1HD PRO 73 2HD PRO 73 8.137 -7.359 5.926 602 2HD PRO 73 1HD PRO 73 7.762 -5.815 5.130 603 H LEU 74 H LEU 74 7.180 -10.382 1.617 604 HA LEU 74 HA LEU 74 5.529 -12.215 2.852 605 1HB LEU 74 2HB LEU 74 7.943 -12.718 1.109 606 2HB LEU 74 1HB LEU 74 6.751 -13.927 1.523 607 HG LEU 74 HG LEU 74 6.194 -11.418 -0.057 608 1HD1 LEU 74 1HD1 LEU 74 5.955 -12.907 -1.964 609 2HD1 LEU 74 2HD1 LEU 74 6.375 -14.292 -0.958 610 3HD1 LEU 74 3HD1 LEU 74 7.575 -13.039 -1.280 611 1HD2 LEU 74 1HD2 LEU 74 4.011 -12.415 -0.469 612 2HD2 LEU 74 2HD2 LEU 74 4.272 -12.189 1.261 613 3HD2 LEU 74 3HD2 LEU 74 4.434 -13.793 0.547 614 H ASP 75 H ASP 75 9.013 -11.769 3.209 615 HA ASP 75 HA ASP 75 8.881 -13.150 5.778 616 1HB ASP 75 2HB ASP 75 9.730 -14.815 4.173 617 2HB ASP 75 1HB ASP 75 10.992 -13.689 3.676 Start of MODEL 15 1 HA MET 1 HA MET 1 18.705 0.657 -15.163 2 1HB MET 1 2HB MET 1 20.392 1.700 -16.608 3 2HB MET 1 1HB MET 1 19.397 1.378 -18.020 4 1HG MET 1 2HG MET 1 17.634 2.826 -17.043 5 2HG MET 1 1HG MET 1 18.749 3.230 -15.740 6 1HE MET 1 1HE MET 1 21.545 3.417 -17.251 7 2HE MET 1 2HE MET 1 20.983 4.593 -16.063 8 3HE MET 1 3HE MET 1 21.587 5.139 -17.628 9 H SER 2 H SER 2 17.815 -0.503 -18.422 10 HA SER 2 HA SER 2 15.234 0.738 -18.254 11 1HB SER 2 2HB SER 2 16.366 -1.187 -20.292 12 2HB SER 2 1HB SER 2 14.875 -0.257 -20.471 13 HG SER 2 HG SER 2 16.477 1.592 -19.926 14 H ALA 3 H ALA 3 13.814 -0.050 -16.903 15 HA ALA 3 HA ALA 3 12.134 -1.357 -16.145 16 1HB ALA 3 1HB ALA 3 11.832 -2.040 -18.481 17 2HB ALA 3 2HB ALA 3 11.458 -3.340 -17.351 18 3HB ALA 3 3HB ALA 3 12.983 -3.354 -18.234 19 H LEU 4 H LEU 4 11.727 -3.002 -14.698 20 HA LEU 4 HA LEU 4 13.926 -4.809 -14.004 21 1HB LEU 4 2HB LEU 4 12.387 -3.064 -12.076 22 2HB LEU 4 1HB LEU 4 13.362 -4.432 -11.575 23 HG LEU 4 HG LEU 4 14.425 -1.991 -13.005 24 1HD1 LEU 4 1HD1 LEU 4 13.655 -1.452 -10.754 25 2HD1 LEU 4 2HD1 LEU 4 15.415 -1.406 -10.854 26 3HD1 LEU 4 3HD1 LEU 4 14.611 -2.783 -10.101 27 1HD2 LEU 4 1HD2 LEU 4 15.724 -4.012 -13.444 28 2HD2 LEU 4 2HD2 LEU 4 15.847 -4.318 -11.711 29 3HD2 LEU 4 3HD2 LEU 4 16.618 -2.896 -12.412 30 H GLN 5 H GLN 5 13.203 -6.757 -12.954 31 HA GLN 5 HA GLN 5 10.487 -7.443 -13.738 32 1HB GLN 5 2HB GLN 5 11.127 -9.665 -13.684 33 2HB GLN 5 1HB GLN 5 12.660 -8.899 -14.067 34 1HG GLN 5 2HG GLN 5 11.901 -9.511 -11.240 35 2HG GLN 5 1HG GLN 5 12.597 -10.743 -12.283 36 1HE2 GLN 5 1HE2 GLN 5 14.355 -10.922 -10.904 37 2HE2 GLN 5 2HE2 GLN 5 15.613 -9.719 -10.839 38 HA PRO 6 HA PRO 6 8.778 -7.107 -9.649 39 1HB PRO 6 2HB PRO 6 7.104 -9.294 -9.674 40 2HB PRO 6 1HB PRO 6 6.699 -7.717 -10.361 41 1HG PRO 6 2HG PRO 6 7.666 -10.191 -11.729 42 2HG PRO 6 1HG PRO 6 6.470 -9.002 -12.272 43 1HD PRO 6 2HD PRO 6 8.988 -9.046 -13.234 44 2HD PRO 6 1HD PRO 6 8.084 -7.532 -13.026 45 H SER 7 H SER 7 10.287 -7.561 -8.164 46 HA SER 7 HA SER 7 11.475 -10.222 -8.129 47 1HB SER 7 2HB SER 7 12.953 -8.242 -8.221 48 2HB SER 7 1HB SER 7 12.321 -7.712 -6.664 49 HG SER 7 HG SER 7 13.635 -9.036 -5.723 50 H ARG 8 H ARG 8 10.827 -7.976 -5.430 51 HA ARG 8 HA ARG 8 10.119 -10.298 -3.815 52 1HB ARG 8 2HB ARG 8 11.578 -7.977 -3.300 53 2HB ARG 8 1HB ARG 8 10.072 -7.751 -2.423 54 1HG ARG 8 2HG ARG 8 11.796 -8.788 -1.035 55 2HG ARG 8 1HG ARG 8 10.404 -9.851 -1.257 56 1HD ARG 8 2HD ARG 8 11.587 -11.092 -2.969 57 2HD ARG 8 1HD ARG 8 12.957 -9.991 -2.851 58 HE ARG 8 HE ARG 8 12.527 -11.063 -0.306 59 1HH1 ARG 8 1HH1 ARG 8 13.341 -12.221 -3.504 60 2HH1 ARG 8 2HH1 ARG 8 14.397 -13.478 -2.928 61 1HH2 ARG 8 1HH2 ARG 8 13.923 -12.717 0.466 62 2HH2 ARG 8 2HH2 ARG 8 14.732 -13.766 -0.673 63 H SER 9 H SER 9 8.320 -10.046 -2.265 64 HA SER 9 HA SER 9 6.141 -8.381 -3.297 65 1HB SER 9 2HB SER 9 5.833 -11.260 -2.407 66 2HB SER 9 1HB SER 9 4.568 -10.212 -3.053 67 HG SER 9 HG SER 9 6.737 -10.372 -4.694 68 H TYR 10 H TYR 10 4.851 -7.481 -1.761 69 HA TYR 10 HA TYR 10 5.588 -8.036 1.044 70 1HB TYR 10 2HB TYR 10 4.741 -5.368 -0.118 71 2HB TYR 10 1HB TYR 10 5.262 -5.677 1.534 72 HD1 TYR 10 1HD TYR 10 7.643 -6.141 2.016 73 HD2 TYR 10 2HD TYR 10 6.331 -5.106 -1.896 74 HE1 TYR 10 1HE TYR 10 9.963 -5.640 1.374 75 HE2 TYR 10 2HE TYR 10 8.649 -4.607 -2.550 76 HH TYR 10 HH TYR 10 10.789 -3.933 -1.370 77 H ARG 11 H ARG 11 3.957 -8.437 2.415 78 HA ARG 11 HA ARG 11 1.239 -8.527 1.351 79 1HB ARG 11 2HB ARG 11 2.190 -9.330 4.100 80 2HB ARG 11 1HB ARG 11 0.690 -9.795 3.319 81 1HG ARG 11 2HG ARG 11 3.335 -10.570 2.153 82 2HG ARG 11 1HG ARG 11 2.592 -11.509 3.451 83 1HD ARG 11 2HD ARG 11 1.188 -10.831 0.873 84 2HD ARG 11 1HD ARG 11 2.118 -12.311 1.113 85 HE ARG 11 HE ARG 11 0.405 -12.338 3.200 86 1HH1 ARG 11 1HH1 ARG 11 -0.052 -11.957 -0.248 87 2HH1 ARG 11 2HH1 ARG 11 -1.635 -12.675 -0.259 88 1HH2 ARG 11 1HH2 ARG 11 -1.649 -13.307 3.205 89 2HH2 ARG 11 2HH2 ARG 11 -2.544 -13.458 1.715 90 H ILE 12 H ILE 12 -0.490 -7.376 2.283 91 HA ILE 12 HA ILE 12 0.314 -5.109 3.971 92 HB ILE 12 HB ILE 12 -2.301 -5.480 2.492 93 1HG1 ILE 12 2HG1 ILE 12 0.105 -3.787 1.780 94 2HG1 ILE 12 1HG1 ILE 12 -0.437 -5.223 0.916 95 1HG2 ILE 12 1HG2 ILE 12 -1.136 -3.087 3.914 96 2HG2 ILE 12 2HG2 ILE 12 -2.513 -4.053 4.445 97 3HG2 ILE 12 3HG2 ILE 12 -2.627 -3.090 2.973 98 1HD1 ILE 12 1HD1 ILE 12 -2.516 -4.069 0.331 99 2HD1 ILE 12 2HD1 ILE 12 -1.092 -3.218 -0.264 100 3HD1 ILE 12 3HD1 ILE 12 -1.939 -2.624 1.164 101 H THR 13 H THR 13 0.058 -5.459 6.088 102 HA THR 13 HA THR 13 -1.815 -7.444 7.035 103 HB THR 13 HB THR 13 -1.017 -6.541 9.330 104 HG1 THR 13 1HG THR 13 1.209 -5.606 8.941 105 1HG2 THR 13 1HG2 THR 13 0.930 -7.849 7.430 106 2HG2 THR 13 2HG2 THR 13 -0.301 -8.673 8.387 107 3HG2 THR 13 3HG2 THR 13 1.042 -7.861 9.191 108 H GLY 14 H GLY 14 -1.779 -4.037 6.549 109 1HA GLY 14 2HA GLY 14 -4.433 -3.556 6.835 110 2HA GLY 14 1HA GLY 14 -3.831 -3.462 8.484 111 H TYR 15 H TYR 15 -4.138 -1.315 8.799 112 HA TYR 15 HA TYR 15 -2.724 0.502 6.970 113 1HB TYR 15 2HB TYR 15 -5.206 1.102 8.589 114 2HB TYR 15 1HB TYR 15 -4.386 2.213 7.501 115 HD1 TYR 15 1HD TYR 15 -6.523 -0.768 7.697 116 HD2 TYR 15 2HD TYR 15 -4.671 2.050 5.112 117 HE1 TYR 15 1HE TYR 15 -7.948 -1.540 5.849 118 HE2 TYR 15 2HE TYR 15 -6.088 1.283 3.253 119 HH TYR 15 HH TYR 15 -7.383 -0.610 2.574 120 H SER 16 H SER 16 -1.752 2.315 7.865 121 HA SER 16 HA SER 16 -0.633 2.030 10.482 122 1HB SER 16 2HB SER 16 0.642 3.075 8.661 123 2HB SER 16 1HB SER 16 -0.578 4.337 8.509 124 HG SER 16 HG SER 16 1.078 5.162 9.722 125 HA PRO 17 HA PRO 17 -3.886 3.906 12.839 126 1HB PRO 17 2HB PRO 17 -1.723 4.983 14.558 127 2HB PRO 17 1HB PRO 17 -3.086 3.945 14.981 128 1HG PRO 17 2HG PRO 17 -0.619 2.962 14.844 129 2HG PRO 17 1HG PRO 17 -2.011 2.017 14.278 130 1HD PRO 17 2HD PRO 17 0.019 3.548 12.690 131 2HD PRO 17 1HD PRO 17 -0.708 1.962 12.359 132 H ALA 18 H ALA 18 -1.466 5.690 11.288 133 HA ALA 18 HA ALA 18 -2.317 8.295 12.177 134 1HB ALA 18 1HB ALA 18 -0.704 9.161 10.582 135 2HB ALA 18 2HB ALA 18 -0.493 7.551 9.896 136 3HB ALA 18 3HB ALA 18 0.016 7.875 11.553 137 H ILE 19 H ILE 19 -3.608 6.065 10.061 138 HA ILE 19 HA ILE 19 -4.535 7.901 8.042 139 HB ILE 19 HB ILE 19 -4.125 5.447 7.618 140 1HG1 ILE 19 2HG1 ILE 19 -6.923 6.404 6.981 141 2HG1 ILE 19 1HG1 ILE 19 -5.469 6.899 6.115 142 1HG2 ILE 19 1HG2 ILE 19 -5.117 4.516 9.620 143 2HG2 ILE 19 2HG2 ILE 19 -5.922 3.865 8.192 144 3HG2 ILE 19 3HG2 ILE 19 -6.702 5.124 9.150 145 1HD1 ILE 19 1HD1 ILE 19 -6.689 5.167 4.921 146 2HD1 ILE 19 2HD1 ILE 19 -6.529 4.089 6.309 147 3HD1 ILE 19 3HD1 ILE 19 -5.096 4.600 5.418 148 H SER 20 H SER 20 -6.560 8.822 7.873 149 HA SER 20 HA SER 20 -8.560 8.294 9.895 150 1HB SER 20 2HB SER 20 -8.559 10.827 10.467 151 2HB SER 20 1HB SER 20 -7.337 9.797 11.213 152 HG SER 20 HG SER 20 -5.896 11.013 10.304 153 H ASN 21 H ASN 21 -10.487 9.743 9.618 154 HA ASN 21 HA ASN 21 -12.080 10.854 8.448 155 1HB ASN 21 2HB ASN 21 -10.204 12.453 7.986 156 2HB ASN 21 1HB ASN 21 -9.908 11.591 6.481 157 1HD2 ASN 21 1HD2 ASN 21 -13.101 12.173 7.814 158 2HD2 ASN 21 2HD2 ASN 21 -13.618 13.258 6.568 159 H GLY 22 H GLY 22 -11.654 8.082 7.996 160 1HA GLY 22 2HA GLY 22 -12.711 6.490 6.726 161 2HA GLY 22 1HA GLY 22 -13.448 7.799 5.821 162 H TYR 23 H TYR 23 -10.014 7.681 5.978 163 HA TYR 23 HA TYR 23 -9.791 7.576 3.166 164 1HB TYR 23 2HB TYR 23 -8.186 8.582 4.959 165 2HB TYR 23 1HB TYR 23 -7.490 6.966 4.986 166 HD1 TYR 23 1HD TYR 23 -5.607 6.688 3.675 167 HD2 TYR 23 2HD TYR 23 -8.608 9.422 2.401 168 HE1 TYR 23 1HE TYR 23 -4.246 7.262 1.706 169 HE2 TYR 23 2HE TYR 23 -7.255 10.000 0.436 170 HH TYR 23 HH TYR 23 -4.345 8.246 -0.398 171 H ARG 24 H ARG 24 -9.878 5.130 5.616 172 HA ARG 24 HA ARG 24 -8.700 2.997 4.206 173 1HB ARG 24 2HB ARG 24 -10.713 3.217 6.421 174 2HB ARG 24 1HB ARG 24 -10.316 1.665 5.725 175 1HG ARG 24 2HG ARG 24 -7.978 1.970 6.353 176 2HG ARG 24 1HG ARG 24 -8.378 3.546 7.041 177 1HD ARG 24 2HD ARG 24 -8.216 1.647 8.692 178 2HD ARG 24 1HD ARG 24 -9.719 2.569 8.735 179 HE ARG 24 HE ARG 24 -10.308 0.530 7.063 180 1HH1 ARG 24 1HH1 ARG 24 -8.846 0.567 10.252 181 2HH1 ARG 24 2HH1 ARG 24 -9.591 -0.926 10.745 182 1HH2 ARG 24 1HH2 ARG 24 -11.267 -1.423 7.687 183 2HH2 ARG 24 2HH2 ARG 24 -10.980 -2.056 9.284 184 H GLN 25 H GLN 25 -12.001 4.271 4.321 185 HA GLN 25 HA GLN 25 -13.132 2.236 2.714 186 1HB GLN 25 2HB GLN 25 -14.057 5.050 3.291 187 2HB GLN 25 1HB GLN 25 -15.022 3.827 2.496 188 1HG GLN 25 2HG GLN 25 -14.903 2.434 4.510 189 2HG GLN 25 1HG GLN 25 -13.971 3.699 5.307 190 1HE2 GLN 25 1HE2 GLN 25 -15.545 5.827 4.022 191 2HE2 GLN 25 2HE2 GLN 25 -17.065 5.858 4.850 192 H ARG 26 H ARG 26 -11.667 5.345 2.093 193 HA ARG 26 HA ARG 26 -12.286 5.522 -0.657 194 1HB ARG 26 2HB ARG 26 -11.262 7.261 1.051 195 2HB ARG 26 1HB ARG 26 -9.737 6.629 0.451 196 1HG ARG 26 2HG ARG 26 -10.358 8.626 -0.756 197 2HG ARG 26 1HG ARG 26 -10.396 7.226 -1.833 198 1HD ARG 26 2HD ARG 26 -12.755 7.128 -1.779 199 2HD ARG 26 1HD ARG 26 -12.845 8.238 -0.414 200 HE ARG 26 HE ARG 26 -11.707 9.277 -2.894 201 1HH1 ARG 26 1HH1 ARG 26 -14.485 8.971 -0.785 202 2HH1 ARG 26 2HH1 ARG 26 -15.300 10.372 -1.426 203 1HH2 ARG 26 1HH2 ARG 26 -12.754 11.131 -3.744 204 2HH2 ARG 26 2HH2 ARG 26 -14.309 11.593 -3.125 205 H LEU 27 H LEU 27 -9.576 4.153 1.135 206 HA LEU 27 HA LEU 27 -8.058 3.412 -1.160 207 1HB LEU 27 2HB LEU 27 -7.947 2.532 1.724 208 2HB LEU 27 1HB LEU 27 -6.815 1.971 0.512 209 HG LEU 27 HG LEU 27 -7.175 4.821 1.435 210 1HD1 LEU 27 1HD1 LEU 27 -4.908 2.868 1.779 211 2HD1 LEU 27 2HD1 LEU 27 -6.006 3.431 3.039 212 3HD1 LEU 27 3HD1 LEU 27 -4.890 4.562 2.272 213 1HD2 LEU 27 1HD2 LEU 27 -5.293 3.689 -0.632 214 2HD2 LEU 27 2HD2 LEU 27 -5.282 5.342 -0.017 215 3HD2 LEU 27 3HD2 LEU 27 -6.662 4.756 -0.946 216 H PHE 28 H PHE 28 -10.435 1.807 0.866 217 HA PHE 28 HA PHE 28 -10.246 -0.794 -0.126 218 1HB PHE 28 2HB PHE 28 -11.664 0.036 1.789 219 2HB PHE 28 1HB PHE 28 -12.813 0.620 0.599 220 HD1 PHE 28 1HD PHE 28 -14.308 -0.857 -0.514 221 HD2 PHE 28 2HD PHE 28 -11.268 -2.384 2.040 222 HE1 PHE 28 1HE PHE 28 -15.382 -3.069 -0.567 223 HE2 PHE 28 2HE PHE 28 -12.338 -4.600 1.993 224 HZ PHE 28 HZ PHE 28 -14.395 -4.945 0.686 225 H SER 29 H SER 29 -12.094 1.970 -1.289 226 HA SER 29 HA SER 29 -13.393 0.728 -3.439 227 1HB SER 29 2HB SER 29 -12.505 3.606 -3.155 228 2HB SER 29 1HB SER 29 -13.693 3.014 -4.314 229 HG SER 29 HG SER 29 -14.374 2.182 -1.864 230 H MET 30 H MET 30 -10.203 2.120 -3.121 231 HA MET 30 HA MET 30 -9.629 2.091 -5.931 232 1HB MET 30 2HB MET 30 -7.856 2.425 -3.509 233 2HB MET 30 1HB MET 30 -7.280 2.546 -5.163 234 1HG MET 30 2HG MET 30 -8.791 4.432 -5.548 235 2HG MET 30 1HG MET 30 -9.351 4.316 -3.881 236 1HE MET 30 1HE MET 30 -6.345 5.205 -6.249 237 2HE MET 30 2HE MET 30 -5.718 3.855 -5.302 238 3HE MET 30 3HE MET 30 -5.045 5.467 -5.083 239 H GLY 31 H GLY 31 -9.075 -0.026 -3.196 240 1HA GLY 31 2HA GLY 31 -8.991 -2.442 -3.776 241 2HA GLY 31 1HA GLY 31 -7.868 -1.987 -5.050 242 H LEU 32 H LEU 32 -7.479 -0.212 -2.169 243 HA LEU 32 HA LEU 32 -5.098 -1.821 -1.540 244 1HB LEU 32 2HB LEU 32 -5.756 1.041 -0.812 245 2HB LEU 32 1HB LEU 32 -4.286 0.199 -0.358 246 HG LEU 32 HG LEU 32 -5.131 0.850 -3.184 247 1HD1 LEU 32 1HD1 LEU 32 -4.481 2.838 -1.972 248 2HD1 LEU 32 2HD1 LEU 32 -3.229 2.399 -3.134 249 3HD1 LEU 32 3HD1 LEU 32 -3.003 2.049 -1.420 250 1HD2 LEU 32 1HD2 LEU 32 -3.843 -1.214 -3.077 251 2HD2 LEU 32 2HD2 LEU 32 -2.598 -0.402 -2.127 252 3HD2 LEU 32 3HD2 LEU 32 -2.891 0.082 -3.798 253 H LEU 33 H LEU 33 -6.014 -3.376 -0.235 254 HA LEU 33 HA LEU 33 -6.888 -2.446 2.396 255 1HB LEU 33 2HB LEU 33 -8.661 -4.101 2.460 256 2HB LEU 33 1HB LEU 33 -8.914 -2.990 1.135 257 HG LEU 33 HG LEU 33 -7.602 -5.648 0.648 258 1HD1 LEU 33 1HD1 LEU 33 -9.655 -6.137 1.872 259 2HD1 LEU 33 2HD1 LEU 33 -9.816 -6.589 0.174 260 3HD1 LEU 33 3HD1 LEU 33 -10.570 -5.108 0.769 261 1HD2 LEU 33 1HD2 LEU 33 -7.583 -3.974 -1.143 262 2HD2 LEU 33 2HD2 LEU 33 -9.340 -3.856 -1.050 263 3HD2 LEU 33 3HD2 LEU 33 -8.583 -5.363 -1.568 264 HA PRO 34 HA PRO 34 -4.219 -5.547 4.118 265 1HB PRO 34 2HB PRO 34 -5.939 -6.799 5.900 266 2HB PRO 34 1HB PRO 34 -5.025 -5.326 6.234 267 1HG PRO 34 2HG PRO 34 -7.875 -5.645 5.406 268 2HG PRO 34 1HG PRO 34 -7.158 -4.498 6.553 269 1HD PRO 34 2HD PRO 34 -7.870 -3.750 4.082 270 2HD PRO 34 1HD PRO 34 -6.424 -3.083 4.872 271 H GLY 35 H GLY 35 -3.600 -7.463 3.334 272 1HA GLY 35 2HA GLY 35 -4.065 -9.806 2.913 273 2HA GLY 35 1HA GLY 35 -5.684 -9.339 2.412 274 H ALA 36 H ALA 36 -4.273 -6.968 1.014 275 HA ALA 36 HA ALA 36 -3.917 -8.366 -1.503 276 1HB ALA 36 1HB ALA 36 -3.899 -5.412 -0.889 277 2HB ALA 36 2HB ALA 36 -5.283 -6.340 -1.463 278 3HB ALA 36 3HB ALA 36 -3.872 -6.127 -2.500 279 H ALA 37 H ALA 37 -1.961 -9.343 -1.555 280 HA ALA 37 HA ALA 37 0.442 -8.080 -0.638 281 1HB ALA 37 1HB ALA 37 1.596 -10.008 -1.574 282 2HB ALA 37 2HB ALA 37 0.107 -10.525 -2.367 283 3HB ALA 37 3HB ALA 37 0.209 -10.510 -0.606 284 H LEU 38 H LEU 38 1.908 -6.928 -1.741 285 HA LEU 38 HA LEU 38 1.285 -6.341 -4.560 286 1HB LEU 38 2HB LEU 38 2.929 -4.657 -2.680 287 2HB LEU 38 1HB LEU 38 2.304 -4.194 -4.247 288 HG LEU 38 HG LEU 38 0.619 -4.715 -1.794 289 1HD1 LEU 38 1HD1 LEU 38 1.332 -2.113 -3.140 290 2HD1 LEU 38 2HD1 LEU 38 1.998 -2.690 -1.613 291 3HD1 LEU 38 3HD1 LEU 38 0.279 -2.320 -1.739 292 1HD2 LEU 38 1HD2 LEU 38 -0.113 -3.672 -4.527 293 2HD2 LEU 38 2HD2 LEU 38 -1.192 -3.740 -3.133 294 3HD2 LEU 38 3HD2 LEU 38 -0.574 -5.231 -3.846 295 H ARG 39 H ARG 39 2.800 -6.732 -6.085 296 HA ARG 39 HA ARG 39 5.423 -7.699 -5.234 297 1HB ARG 39 2HB ARG 39 3.924 -7.781 -7.838 298 2HB ARG 39 1HB ARG 39 5.657 -8.047 -7.796 299 1HG ARG 39 2HG ARG 39 5.020 -10.187 -7.581 300 2HG ARG 39 1HG ARG 39 4.926 -9.748 -5.878 301 1HD ARG 39 2HD ARG 39 2.906 -10.859 -6.330 302 2HD ARG 39 1HD ARG 39 2.495 -9.144 -6.323 303 HE ARG 39 HE ARG 39 3.008 -9.650 -8.939 304 1HH1 ARG 39 1HH1 ARG 39 0.870 -11.067 -6.565 305 2HH1 ARG 39 2HH1 ARG 39 -0.236 -11.699 -7.750 306 1HH2 ARG 39 1HH2 ARG 39 1.563 -10.441 -10.496 307 2HH2 ARG 39 2HH2 ARG 39 0.136 -11.307 -9.990 308 H VAL 40 H VAL 40 7.354 -6.751 -5.996 309 HA VAL 40 HA VAL 40 7.083 -3.865 -6.238 310 HB VAL 40 HB VAL 40 8.727 -4.864 -4.655 311 1HG1 VAL 40 1HG1 VAL 40 10.220 -5.663 -7.135 312 2HG1 VAL 40 2HG1 VAL 40 9.468 -6.754 -5.972 313 3HG1 VAL 40 3HG1 VAL 40 10.838 -5.752 -5.486 314 1HG2 VAL 40 1HG2 VAL 40 8.986 -2.570 -5.417 315 2HG2 VAL 40 2HG2 VAL 40 9.914 -3.126 -6.810 316 3HG2 VAL 40 3HG2 VAL 40 10.559 -3.330 -5.180 317 H VAL 41 H VAL 41 7.069 -2.816 -8.118 318 HA VAL 41 HA VAL 41 8.353 -4.119 -10.415 319 HB VAL 41 HB VAL 41 6.467 -1.754 -10.365 320 1HG1 VAL 41 1HG1 VAL 41 7.637 -3.242 -12.718 321 2HG1 VAL 41 2HG1 VAL 41 8.068 -1.608 -12.216 322 3HG1 VAL 41 3HG1 VAL 41 6.439 -1.952 -12.801 323 1HG2 VAL 41 1HG2 VAL 41 6.058 -4.614 -11.236 324 2HG2 VAL 41 2HG2 VAL 41 4.886 -3.311 -11.437 325 3HG2 VAL 41 3HG2 VAL 41 5.349 -3.839 -9.819 326 H ARG 42 H ARG 42 8.255 -0.940 -8.728 327 HA ARG 42 HA ARG 42 11.014 -0.452 -9.112 328 1HB ARG 42 2HB ARG 42 9.763 -0.226 -11.484 329 2HB ARG 42 1HB ARG 42 9.545 1.409 -10.882 330 1HG ARG 42 2HG ARG 42 11.983 1.588 -10.573 331 2HG ARG 42 1HG ARG 42 12.161 -0.023 -11.275 332 1HD ARG 42 2HD ARG 42 11.217 2.506 -12.586 333 2HD ARG 42 1HD ARG 42 12.541 1.446 -13.067 334 HE ARG 42 HE ARG 42 9.951 0.188 -13.129 335 1HH1 ARG 42 1HH1 ARG 42 12.267 2.077 -14.944 336 2HH1 ARG 42 2HH1 ARG 42 11.625 1.615 -16.492 337 1HH2 ARG 42 1HH2 ARG 42 9.104 -0.419 -15.147 338 2HH2 ARG 42 2HH2 ARG 42 9.805 0.208 -16.607 339 H ILE 43 H ILE 43 11.731 1.576 -8.370 340 HA ILE 43 HA ILE 43 9.697 3.476 -7.352 341 HB ILE 43 HB ILE 43 12.324 2.718 -6.013 342 1HG1 ILE 43 2HG1 ILE 43 10.522 1.091 -5.622 343 2HG1 ILE 43 1HG1 ILE 43 10.937 1.957 -4.148 344 1HG2 ILE 43 1HG2 ILE 43 10.303 4.808 -5.194 345 2HG2 ILE 43 2HG2 ILE 43 11.915 5.117 -5.834 346 3HG2 ILE 43 3HG2 ILE 43 11.725 4.331 -4.267 347 1HD1 ILE 43 1HD1 ILE 43 8.981 3.377 -4.419 348 2HD1 ILE 43 2HD1 ILE 43 8.535 1.670 -4.369 349 3HD1 ILE 43 3HD1 ILE 43 8.568 2.528 -5.909 350 H ALA 44 H ALA 44 10.236 5.659 -7.805 351 HA ALA 44 HA ALA 44 12.003 6.143 -9.967 352 1HB ALA 44 1HB ALA 44 10.023 7.522 -9.533 353 2HB ALA 44 2HB ALA 44 11.487 8.495 -9.666 354 3HB ALA 44 3HB ALA 44 10.793 8.158 -8.080 355 HA PRO 45 HA PRO 45 15.902 7.020 -7.977 356 1HB PRO 45 2HB PRO 45 16.895 8.885 -9.701 357 2HB PRO 45 1HB PRO 45 16.861 7.154 -10.054 358 1HG PRO 45 2HG PRO 45 14.990 9.310 -10.951 359 2HG PRO 45 1HG PRO 45 15.660 7.953 -11.876 360 1HD PRO 45 2HD PRO 45 13.147 7.932 -10.874 361 2HD PRO 45 1HD PRO 45 14.123 6.458 -11.031 362 H LEU 46 H LEU 46 13.826 9.707 -8.924 363 HA LEU 46 HA LEU 46 15.018 11.719 -7.337 364 1HB LEU 46 2HB LEU 46 12.361 11.318 -8.635 365 2HB LEU 46 1HB LEU 46 12.497 12.576 -7.427 366 HG LEU 46 HG LEU 46 12.781 13.556 -9.602 367 1HD1 LEU 46 1HD1 LEU 46 14.157 14.502 -7.857 368 2HD1 LEU 46 2HD1 LEU 46 15.015 14.549 -9.398 369 3HD1 LEU 46 3HD1 LEU 46 15.431 13.332 -8.192 370 1HD2 LEU 46 1HD2 LEU 46 13.425 11.566 -10.844 371 2HD2 LEU 46 2HD2 LEU 46 14.994 11.556 -10.040 372 3HD2 LEU 46 3HD2 LEU 46 14.573 12.878 -11.128 373 H GLY 47 H GLY 47 11.718 10.971 -6.700 374 1HA GLY 47 2HA GLY 47 12.403 10.081 -3.980 375 2HA GLY 47 1HA GLY 47 10.908 10.908 -4.404 376 H ASP 48 H ASP 48 9.468 9.873 -5.904 377 HA ASP 48 HA ASP 48 9.554 7.307 -6.816 378 1HB ASP 48 2HB ASP 48 8.573 5.926 -5.141 379 2HB ASP 48 1HB ASP 48 9.994 6.677 -4.438 380 HA PRO 49 HA PRO 49 5.238 7.137 -6.823 381 1HB PRO 49 2HB PRO 49 5.186 6.029 -9.414 382 2HB PRO 49 1HB PRO 49 4.605 7.633 -8.971 383 1HG PRO 49 2HG PRO 49 6.800 7.054 -10.638 384 2HG PRO 49 1HG PRO 49 6.394 8.633 -9.946 385 1HD PRO 49 2HD PRO 49 8.377 6.604 -9.013 386 2HD PRO 49 1HD PRO 49 8.447 8.379 -8.924 387 H ILE 50 H ILE 50 4.431 4.978 -6.613 388 HA ILE 50 HA ILE 50 6.679 3.089 -6.414 389 HB ILE 50 HB ILE 50 4.057 3.065 -4.893 390 1HG1 ILE 50 2HG1 ILE 50 6.842 3.841 -3.986 391 2HG1 ILE 50 1HG1 ILE 50 5.540 4.977 -4.330 392 1HG2 ILE 50 1HG2 ILE 50 5.156 1.372 -3.491 393 2HG2 ILE 50 2HG2 ILE 50 6.552 1.399 -4.569 394 3HG2 ILE 50 3HG2 ILE 50 4.991 0.838 -5.164 395 1HD1 ILE 50 1HD1 ILE 50 5.813 4.598 -1.944 396 2HD1 ILE 50 2HD1 ILE 50 5.509 2.875 -2.179 397 3HD1 ILE 50 3HD1 ILE 50 4.237 4.050 -2.512 398 H GLN 51 H GLN 51 6.691 2.001 -8.273 399 HA GLN 51 HA GLN 51 4.239 1.078 -9.476 400 1HB GLN 51 2HB GLN 51 7.144 0.648 -10.181 401 2HB GLN 51 1HB GLN 51 5.807 -0.011 -11.102 402 1HG GLN 51 2HG GLN 51 4.986 2.302 -11.464 403 2HG GLN 51 1HG GLN 51 6.445 2.888 -10.670 404 1HE2 GLN 51 1HE2 GLN 51 5.478 3.299 -13.393 405 2HE2 GLN 51 2HE2 GLN 51 6.749 2.747 -14.426 406 H VAL 52 H VAL 52 3.242 -0.665 -8.800 407 HA VAL 52 HA VAL 52 4.803 -2.982 -7.922 408 HB VAL 52 HB VAL 52 3.183 -3.426 -6.107 409 1HG1 VAL 52 1HG1 VAL 52 4.613 -0.785 -5.862 410 2HG1 VAL 52 2HG1 VAL 52 5.308 -2.381 -5.575 411 3HG1 VAL 52 3HG1 VAL 52 4.034 -1.771 -4.520 412 1HG2 VAL 52 1HG2 VAL 52 2.181 -0.643 -6.685 413 2HG2 VAL 52 2HG2 VAL 52 1.702 -1.650 -5.318 414 3HG2 VAL 52 3HG2 VAL 52 1.297 -2.145 -6.962 415 H GLU 53 H GLU 53 3.274 -4.923 -7.713 416 HA GLU 53 HA GLU 53 1.141 -4.761 -9.741 417 1HB GLU 53 2HB GLU 53 3.125 -6.023 -10.546 418 2HB GLU 53 1HB GLU 53 2.953 -7.121 -9.186 419 1HG GLU 53 2HG GLU 53 0.827 -7.889 -10.019 420 2HG GLU 53 1HG GLU 53 0.878 -6.708 -11.327 421 H THR 54 H THR 54 -0.818 -5.293 -8.985 422 HA THR 54 HA THR 54 -0.984 -6.018 -6.188 423 HB THR 54 HB THR 54 -3.509 -5.672 -6.657 424 HG1 THR 54 1HG THR 54 -3.515 -4.049 -8.561 425 1HG2 THR 54 1HG2 THR 54 -3.254 -3.233 -6.498 426 2HG2 THR 54 2HG2 THR 54 -1.554 -3.388 -6.943 427 3HG2 THR 54 3HG2 THR 54 -2.136 -4.079 -5.427 428 H ARG 55 H ARG 55 -1.666 -7.461 -9.295 429 HA ARG 55 HA ARG 55 -1.712 -10.076 -8.251 430 1HB ARG 55 2HB ARG 55 -3.950 -9.342 -7.437 431 2HB ARG 55 1HB ARG 55 -4.425 -9.038 -9.103 432 1HG ARG 55 2HG ARG 55 -4.208 -11.381 -9.639 433 2HG ARG 55 1HG ARG 55 -3.589 -11.722 -8.023 434 1HD ARG 55 2HD ARG 55 -5.903 -12.347 -8.108 435 2HD ARG 55 1HD ARG 55 -5.737 -10.922 -7.085 436 HE ARG 55 HE ARG 55 -6.578 -10.674 -9.902 437 1HH1 ARG 55 1HH1 ARG 55 -7.132 -10.124 -6.486 438 2HH1 ARG 55 2HH1 ARG 55 -8.552 -9.162 -6.745 439 1HH2 ARG 55 1HH2 ARG 55 -8.471 -9.392 -10.234 440 2HH2 ARG 55 2HH2 ARG 55 -9.298 -8.737 -8.845 441 H GLN 56 H GLN 56 -2.932 -7.992 -10.845 442 HA GLN 56 HA GLN 56 -1.873 -9.924 -12.798 443 1HB GLN 56 2HB GLN 56 -4.597 -8.614 -12.840 444 2HB GLN 56 1HB GLN 56 -3.905 -9.497 -14.195 445 1HG GLN 56 2HG GLN 56 -4.007 -11.539 -13.064 446 2HG GLN 56 1HG GLN 56 -4.228 -10.760 -11.499 447 1HE2 GLN 56 1HE2 GLN 56 -5.948 -9.711 -14.339 448 2HE2 GLN 56 2HE2 GLN 56 -7.502 -10.285 -13.845 449 H THR 57 H THR 57 -2.552 -6.612 -11.928 450 HA THR 57 HA THR 57 -1.166 -5.758 -14.384 451 HB THR 57 HB THR 57 -3.544 -5.202 -14.574 452 HG1 THR 57 1HG THR 57 -2.972 -2.665 -14.328 453 1HG2 THR 57 1HG2 THR 57 -4.118 -5.053 -12.212 454 2HG2 THR 57 2HG2 THR 57 -4.571 -3.569 -13.048 455 3HG2 THR 57 3HG2 THR 57 -3.121 -3.606 -12.044 456 H SER 58 H SER 58 -0.075 -3.675 -14.206 457 HA SER 58 HA SER 58 1.261 -3.404 -11.649 458 1HB SER 58 2HB SER 58 1.710 -1.858 -14.213 459 2HB SER 58 1HB SER 58 2.799 -1.940 -12.828 460 HG SER 58 HG SER 58 2.184 -4.420 -13.728 461 H LEU 59 H LEU 59 1.215 -1.595 -10.360 462 HA LEU 59 HA LEU 59 -0.623 0.563 -11.079 463 1HB LEU 59 2HB LEU 59 -1.896 -1.085 -9.784 464 2HB LEU 59 1HB LEU 59 -0.718 -0.999 -8.495 465 HG LEU 59 HG LEU 59 -2.127 1.516 -9.276 466 1HD1 LEU 59 1HD1 LEU 59 -3.358 -0.691 -7.625 467 2HD1 LEU 59 2HD1 LEU 59 -3.941 -0.100 -9.181 468 3HD1 LEU 59 3HD1 LEU 59 -3.986 0.950 -7.766 469 1HD2 LEU 59 1HD2 LEU 59 -1.209 0.329 -6.656 470 2HD2 LEU 59 2HD2 LEU 59 -1.970 1.907 -6.848 471 3HD2 LEU 59 3HD2 LEU 59 -0.394 1.596 -7.574 472 H ALA 60 H ALA 60 -0.155 2.533 -10.175 473 HA ALA 60 HA ALA 60 2.347 2.676 -8.613 474 1HB ALA 60 1HB ALA 60 2.891 4.745 -9.758 475 2HB ALA 60 2HB ALA 60 1.398 4.644 -10.691 476 3HB ALA 60 3HB ALA 60 2.669 3.445 -10.931 477 H LEU 61 H LEU 61 2.431 4.165 -6.953 478 HA LEU 61 HA LEU 61 0.174 5.890 -6.439 479 1HB LEU 61 2HB LEU 61 -0.134 4.936 -4.121 480 2HB LEU 61 1HB LEU 61 -0.771 3.976 -5.435 481 HG LEU 61 HG LEU 61 1.486 2.696 -5.232 482 1HD1 LEU 61 1HD1 LEU 61 1.272 3.923 -2.491 483 2HD1 LEU 61 2HD1 LEU 61 2.547 4.234 -3.669 484 3HD1 LEU 61 3HD1 LEU 61 2.374 2.628 -2.963 485 1HD2 LEU 61 1HD2 LEU 61 0.477 1.189 -3.598 486 2HD2 LEU 61 2HD2 LEU 61 -0.705 1.738 -4.787 487 3HD2 LEU 61 3HD2 LEU 61 -0.690 2.439 -3.168 488 H ARG 62 H ARG 62 0.622 6.946 -4.098 489 HA ARG 62 HA ARG 62 3.383 7.868 -4.353 490 1HB ARG 62 2HB ARG 62 0.961 9.029 -3.019 491 2HB ARG 62 1HB ARG 62 2.568 9.670 -2.738 492 1HG ARG 62 2HG ARG 62 1.463 10.973 -4.395 493 2HG ARG 62 1HG ARG 62 2.788 10.108 -5.148 494 1HD ARG 62 2HD ARG 62 1.248 8.470 -6.046 495 2HD ARG 62 1HD ARG 62 -0.098 9.247 -5.221 496 HE ARG 62 HE ARG 62 -0.204 10.804 -6.887 497 1HH1 ARG 62 1HH1 ARG 62 2.908 9.192 -7.122 498 2HH1 ARG 62 2HH1 ARG 62 3.232 9.787 -8.727 499 1HH2 ARG 62 1HH2 ARG 62 0.220 11.564 -9.010 500 2HH2 ARG 62 2HH2 ARG 62 1.714 11.126 -9.786 501 H ARG 63 H ARG 63 4.669 8.257 -2.552 502 HA ARG 63 HA ARG 63 4.796 6.078 -0.748 503 1HB ARG 63 2HB ARG 63 6.658 7.230 0.309 504 2HB ARG 63 1HB ARG 63 6.794 7.317 -1.438 505 1HG ARG 63 2HG ARG 63 5.962 9.608 -1.399 506 2HG ARG 63 1HG ARG 63 5.813 9.518 0.358 507 1HD ARG 63 2HD ARG 63 8.169 9.276 0.621 508 2HD ARG 63 1HD ARG 63 8.401 9.081 -1.116 509 HE ARG 63 HE ARG 63 7.869 11.569 0.320 510 1HH1 ARG 63 1HH1 ARG 63 8.425 9.874 -2.694 511 2HH1 ARG 63 2HH1 ARG 63 8.706 11.334 -3.608 512 1HH2 ARG 63 1HH2 ARG 63 8.297 13.502 -0.878 513 2HH2 ARG 63 2HH2 ARG 63 8.650 13.391 -2.576 514 H LYS 64 H LYS 64 3.518 9.309 -0.486 515 HA LYS 64 HA LYS 64 3.051 9.505 2.244 516 1HB LYS 64 2HB LYS 64 2.663 11.278 0.495 517 2HB LYS 64 1HB LYS 64 1.180 10.443 0.063 518 1HG LYS 64 2HG LYS 64 0.376 10.776 2.382 519 2HG LYS 64 1HG LYS 64 1.820 11.742 2.699 520 1HD LYS 64 2HD LYS 64 1.159 13.215 0.796 521 2HD LYS 64 1HD LYS 64 -0.347 12.304 0.679 522 1HE LYS 64 2HE LYS 64 -0.817 12.916 3.052 523 2HE LYS 64 1HE LYS 64 0.606 13.957 3.014 524 1HZ LYS 64 1HZ LYS 64 -0.485 15.054 1.034 525 2HZ LYS 64 2HZ LYS 64 -1.205 15.345 2.539 526 3HZ LYS 64 3HZ LYS 64 -1.905 14.233 1.471 527 H ASP 65 H ASP 65 1.065 8.007 -0.278 528 HA ASP 65 HA ASP 65 -1.020 7.130 1.422 529 1HB ASP 65 2HB ASP 65 -0.104 6.172 -1.299 530 2HB ASP 65 1HB ASP 65 -1.568 5.615 -0.511 531 H LEU 66 H LEU 66 1.968 5.661 0.268 532 HA LEU 66 HA LEU 66 1.488 3.068 1.276 533 1HB LEU 66 2HB LEU 66 3.249 3.733 -0.401 534 2HB LEU 66 1HB LEU 66 4.188 4.366 0.939 535 HG LEU 66 HG LEU 66 4.055 2.037 1.954 536 1HD1 LEU 66 1HD1 LEU 66 3.173 1.363 -0.846 537 2HD1 LEU 66 2HD1 LEU 66 2.203 1.208 0.618 538 3HD1 LEU 66 3HD1 LEU 66 3.635 0.202 0.399 539 1HD2 LEU 66 1HD2 LEU 66 5.524 2.416 -0.653 540 2HD2 LEU 66 2HD2 LEU 66 5.882 1.182 0.555 541 3HD2 LEU 66 3HD2 LEU 66 6.091 2.887 0.950 542 H ALA 67 H ALA 67 2.681 5.988 2.746 543 HA ALA 67 HA ALA 67 3.786 4.819 5.082 544 1HB ALA 67 1HB ALA 67 4.360 7.083 4.369 545 2HB ALA 67 2HB ALA 67 3.716 7.080 6.012 546 3HB ALA 67 3HB ALA 67 2.701 7.604 4.668 547 H LEU 68 H LEU 68 0.587 5.272 4.032 548 HA LEU 68 HA LEU 68 -0.495 5.106 6.740 549 1HB LEU 68 2HB LEU 68 -1.886 5.444 4.081 550 2HB LEU 68 1HB LEU 68 -2.690 5.408 5.639 551 HG LEU 68 HG LEU 68 -0.702 7.496 4.739 552 1HD1 LEU 68 1HD1 LEU 68 -3.685 7.644 5.137 553 2HD1 LEU 68 2HD1 LEU 68 -2.844 7.667 3.588 554 3HD1 LEU 68 3HD1 LEU 68 -2.630 8.996 4.728 555 1HD2 LEU 68 1HD2 LEU 68 -2.339 7.311 7.265 556 2HD2 LEU 68 2HD2 LEU 68 -1.307 8.661 6.796 557 3HD2 LEU 68 3HD2 LEU 68 -0.594 7.086 7.146 558 H LEU 69 H LEU 69 0.607 3.047 4.436 559 HA LEU 69 HA LEU 69 -1.296 0.919 5.162 560 1HB LEU 69 2HB LEU 69 0.631 1.070 2.836 561 2HB LEU 69 1HB LEU 69 -0.441 -0.273 3.175 562 HG LEU 69 HG LEU 69 -1.358 2.523 2.502 563 1HD1 LEU 69 1HD1 LEU 69 -1.994 1.578 0.341 564 2HD1 LEU 69 2HD1 LEU 69 -1.258 0.041 0.794 565 3HD1 LEU 69 3HD1 LEU 69 -0.253 1.479 0.602 566 1HD2 LEU 69 1HD2 LEU 69 -3.551 1.500 2.263 567 2HD2 LEU 69 2HD2 LEU 69 -2.927 1.260 3.895 568 3HD2 LEU 69 3HD2 LEU 69 -2.888 -0.066 2.733 569 H THR 70 H THR 70 -0.562 -0.715 6.430 570 HA THR 70 HA THR 70 2.285 -0.751 7.073 571 HB THR 70 HB THR 70 0.087 -2.421 8.265 572 HG1 THR 70 1HG THR 70 1.285 -0.001 9.215 573 1HG2 THR 70 1HG2 THR 70 2.321 -3.360 8.574 574 2HG2 THR 70 2HG2 THR 70 1.677 -2.760 10.102 575 3HG2 THR 70 3HG2 THR 70 2.885 -1.822 9.225 576 H LEU 71 H LEU 71 3.595 -1.974 6.002 577 HA LEU 71 HA LEU 71 2.548 -4.298 4.535 578 1HB LEU 71 2HB LEU 71 5.090 -2.741 4.042 579 2HB LEU 71 1HB LEU 71 4.470 -4.046 3.052 580 HG LEU 71 HG LEU 71 3.171 -1.348 3.413 581 1HD1 LEU 71 1HD1 LEU 71 4.667 -2.539 1.083 582 2HD1 LEU 71 2HD1 LEU 71 5.225 -1.227 2.124 583 3HD1 LEU 71 3HD1 LEU 71 3.819 -0.991 1.086 584 1HD2 LEU 71 1HD2 LEU 71 1.527 -3.104 3.035 585 2HD2 LEU 71 2HD2 LEU 71 2.435 -3.670 1.633 586 3HD2 LEU 71 3HD2 LEU 71 1.681 -2.075 1.612 587 H VAL 72 H VAL 72 3.506 -6.260 4.720 588 HA VAL 72 HA VAL 72 6.015 -6.461 6.227 589 HB VAL 72 HB VAL 72 5.232 -8.673 7.131 590 1HG1 VAL 72 1HG1 VAL 72 3.677 -6.240 7.998 591 2HG1 VAL 72 2HG1 VAL 72 5.296 -6.685 8.536 592 3HG1 VAL 72 3HG1 VAL 72 3.917 -7.700 8.958 593 1HG2 VAL 72 1HG2 VAL 72 2.533 -7.685 6.209 594 2HG2 VAL 72 2HG2 VAL 72 2.811 -9.078 7.254 595 3HG2 VAL 72 3HG2 VAL 72 3.396 -9.094 5.590 596 HA PRO 73 HA PRO 73 7.077 -8.315 2.311 597 1HB PRO 73 2HB PRO 73 9.542 -9.127 3.719 598 2HB PRO 73 1HB PRO 73 9.349 -8.118 2.284 599 1HG PRO 73 2HG PRO 73 10.062 -7.085 4.655 600 2HG PRO 73 1HG PRO 73 9.036 -6.195 3.515 601 1HD PRO 73 2HD PRO 73 8.274 -7.676 5.999 602 2HD PRO 73 1HD PRO 73 7.648 -6.140 5.365 603 H LEU 74 H LEU 74 7.545 -10.433 1.464 604 HA LEU 74 HA LEU 74 6.495 -12.626 2.883 605 1HB LEU 74 2HB LEU 74 8.248 -12.494 0.435 606 2HB LEU 74 1HB LEU 74 7.562 -13.977 1.051 607 HG LEU 74 HG LEU 74 6.022 -11.614 -0.012 608 1HD1 LEU 74 1HD1 LEU 74 6.399 -14.416 -1.055 609 2HD1 LEU 74 2HD1 LEU 74 7.100 -12.948 -1.738 610 3HD1 LEU 74 3HD1 LEU 74 5.353 -13.187 -1.762 611 1HD2 LEU 74 1HD2 LEU 74 5.018 -14.245 1.073 612 2HD2 LEU 74 2HD2 LEU 74 4.031 -12.996 0.312 613 3HD2 LEU 74 3HD2 LEU 74 4.835 -12.673 1.849 614 H ASP 75 H ASP 75 9.685 -11.306 2.567 615 HA ASP 75 HA ASP 75 11.250 -13.420 3.498 616 1HB ASP 75 2HB ASP 75 11.637 -10.434 3.828 617 2HB ASP 75 1HB ASP 75 12.870 -11.642 4.175 Start of MODEL 16 1 HA MET 1 HA MET 1 12.253 -6.420 -23.484 2 1HB MET 1 2HB MET 1 14.033 -8.716 -24.275 3 2HB MET 1 1HB MET 1 12.358 -8.981 -23.815 4 1HG MET 1 2HG MET 1 12.574 -8.849 -26.219 5 2HG MET 1 1HG MET 1 11.631 -7.493 -25.611 6 1HE MET 1 1HE MET 1 11.901 -6.266 -27.909 7 2HE MET 1 2HE MET 1 12.890 -7.570 -28.564 8 3HE MET 1 3HE MET 1 13.450 -5.901 -28.675 9 H SER 2 H SER 2 14.536 -6.246 -21.327 10 HA SER 2 HA SER 2 13.834 -8.339 -19.497 11 1HB SER 2 2HB SER 2 16.065 -7.252 -19.473 12 2HB SER 2 1HB SER 2 15.303 -5.737 -18.987 13 HG SER 2 HG SER 2 15.700 -6.500 -17.056 14 H ALA 3 H ALA 3 11.788 -8.372 -18.787 15 HA ALA 3 HA ALA 3 10.721 -5.907 -17.593 16 1HB ALA 3 1HB ALA 3 9.680 -6.247 -19.798 17 2HB ALA 3 2HB ALA 3 8.513 -6.398 -18.484 18 3HB ALA 3 3HB ALA 3 9.135 -7.843 -19.280 19 H LEU 4 H LEU 4 9.414 -6.175 -15.822 20 HA LEU 4 HA LEU 4 8.840 -7.026 -13.831 21 1HB LEU 4 2HB LEU 4 8.075 -9.341 -15.593 22 2HB LEU 4 1HB LEU 4 7.619 -9.182 -13.911 23 HG LEU 4 HG LEU 4 6.832 -7.265 -16.103 24 1HD1 LEU 4 1HD1 LEU 4 5.748 -9.456 -16.301 25 2HD1 LEU 4 2HD1 LEU 4 4.600 -8.199 -15.840 26 3HD1 LEU 4 3HD1 LEU 4 5.203 -9.333 -14.631 27 1HD2 LEU 4 1HD2 LEU 4 7.037 -6.173 -13.930 28 2HD2 LEU 4 2HD2 LEU 4 6.008 -7.407 -13.203 29 3HD2 LEU 4 3HD2 LEU 4 5.345 -6.305 -14.410 30 H GLN 5 H GLN 5 11.259 -7.060 -13.392 31 HA GLN 5 HA GLN 5 11.872 -9.783 -12.462 32 1HB GLN 5 2HB GLN 5 13.786 -7.467 -12.821 33 2HB GLN 5 1HB GLN 5 14.214 -9.043 -12.172 34 1HG GLN 5 2HG GLN 5 13.262 -9.907 -14.451 35 2HG GLN 5 1HG GLN 5 13.577 -8.251 -14.971 36 1HE2 GLN 5 1HE2 GLN 5 15.219 -8.787 -16.367 37 2HE2 GLN 5 2HE2 GLN 5 16.760 -9.361 -15.831 38 HA PRO 6 HA PRO 6 10.417 -7.504 -8.856 39 1HB PRO 6 2HB PRO 6 9.629 -10.027 -7.732 40 2HB PRO 6 1HB PRO 6 8.604 -8.733 -8.350 41 1HG PRO 6 2HG PRO 6 8.864 -11.199 -9.540 42 2HG PRO 6 1HG PRO 6 8.374 -9.723 -10.390 43 1HD PRO 6 2HD PRO 6 11.039 -11.070 -10.304 44 2HD PRO 6 1HD PRO 6 10.230 -10.251 -11.659 45 H SER 7 H SER 7 11.979 -6.870 -7.520 46 HA SER 7 HA SER 7 13.953 -8.571 -6.423 47 1HB SER 7 2HB SER 7 13.052 -5.798 -5.606 48 2HB SER 7 1HB SER 7 14.557 -6.577 -5.146 49 HG SER 7 HG SER 7 15.087 -6.668 -7.397 50 H ARG 8 H ARG 8 10.862 -7.285 -5.321 51 HA ARG 8 HA ARG 8 10.719 -9.258 -3.212 52 1HB ARG 8 2HB ARG 8 11.261 -6.408 -2.697 53 2HB ARG 8 1HB ARG 8 9.963 -7.104 -1.743 54 1HG ARG 8 2HG ARG 8 11.458 -8.792 -0.880 55 2HG ARG 8 1HG ARG 8 12.764 -8.191 -1.908 56 1HD ARG 8 2HD ARG 8 12.865 -6.137 -0.731 57 2HD ARG 8 1HD ARG 8 11.357 -6.471 0.117 58 HE ARG 8 HE ARG 8 12.710 -8.406 1.131 59 1HH1 ARG 8 1HH1 ARG 8 14.046 -5.293 0.226 60 2HH1 ARG 8 2HH1 ARG 8 15.282 -5.322 1.445 61 1HH2 ARG 8 1HH2 ARG 8 14.311 -8.442 2.752 62 2HH2 ARG 8 2HH2 ARG 8 15.416 -7.108 2.901 63 H SER 9 H SER 9 8.668 -9.495 -2.336 64 HA SER 9 HA SER 9 6.520 -7.862 -3.515 65 1HB SER 9 2HB SER 9 6.351 -10.771 -2.658 66 2HB SER 9 1HB SER 9 5.037 -9.811 -3.336 67 HG SER 9 HG SER 9 7.285 -10.922 -4.586 68 H TYR 10 H TYR 10 5.250 -6.836 -2.068 69 HA TYR 10 HA TYR 10 5.782 -7.401 0.782 70 1HB TYR 10 2HB TYR 10 4.955 -4.829 -0.594 71 2HB TYR 10 1HB TYR 10 5.030 -5.030 1.151 72 HD1 TYR 10 1HD TYR 10 7.016 -4.766 -1.935 73 HD2 TYR 10 2HD TYR 10 7.140 -5.065 2.305 74 HE1 TYR 10 1HE TYR 10 9.384 -4.102 -1.958 75 HE2 TYR 10 2HE TYR 10 9.507 -4.413 2.287 76 HH TYR 10 HH TYR 10 11.392 -4.368 0.810 77 H ARG 11 H ARG 11 4.074 -7.638 2.184 78 HA ARG 11 HA ARG 11 1.420 -7.780 0.920 79 1HB ARG 11 2HB ARG 11 0.783 -9.294 2.775 80 2HB ARG 11 1HB ARG 11 2.077 -9.929 1.776 81 1HG ARG 11 2HG ARG 11 3.701 -9.176 3.487 82 2HG ARG 11 1HG ARG 11 2.343 -8.677 4.498 83 1HD ARG 11 2HD ARG 11 1.515 -11.004 4.471 84 2HD ARG 11 1HD ARG 11 2.929 -11.476 3.532 85 HE ARG 11 HE ARG 11 3.108 -10.365 6.261 86 1HH1 ARG 11 1HH1 ARG 11 4.054 -12.711 3.835 87 2HH1 ARG 11 2HH1 ARG 11 5.283 -13.437 4.831 88 1HH2 ARG 11 1HH2 ARG 11 4.695 -11.318 7.577 89 2HH2 ARG 11 2HH2 ARG 11 5.656 -12.634 6.965 90 H ILE 12 H ILE 12 -0.359 -6.965 1.971 91 HA ILE 12 HA ILE 12 0.275 -4.671 3.671 92 HB ILE 12 HB ILE 12 -2.463 -5.447 2.635 93 1HG1 ILE 12 2HG1 ILE 12 -0.430 -3.637 1.309 94 2HG1 ILE 12 1HG1 ILE 12 -0.893 -5.236 0.739 95 1HG2 ILE 12 1HG2 ILE 12 -1.300 -2.819 3.558 96 2HG2 ILE 12 2HG2 ILE 12 -2.454 -3.820 4.438 97 3HG2 ILE 12 3HG2 ILE 12 -2.930 -3.048 2.926 98 1HD1 ILE 12 1HD1 ILE 12 -1.997 -3.494 -0.533 99 2HD1 ILE 12 2HD1 ILE 12 -2.707 -2.847 0.946 100 3HD1 ILE 12 3HD1 ILE 12 -3.172 -4.449 0.372 101 H THR 13 H THR 13 0.290 -4.982 5.810 102 HA THR 13 HA THR 13 -1.222 -7.212 6.914 103 HB THR 13 HB THR 13 1.112 -6.975 7.602 104 HG1 THR 13 1HG THR 13 -0.912 -6.663 9.568 105 1HG2 THR 13 1HG2 THR 13 1.324 -4.545 7.508 106 2HG2 THR 13 2HG2 THR 13 1.801 -5.153 9.092 107 3HG2 THR 13 3HG2 THR 13 0.227 -4.387 8.881 108 H GLY 14 H GLY 14 -1.646 -3.894 6.458 109 1HA GLY 14 2HA GLY 14 -4.211 -3.765 7.341 110 2HA GLY 14 1HA GLY 14 -3.274 -3.434 8.793 111 H TYR 15 H TYR 15 -4.571 -1.396 8.556 112 HA TYR 15 HA TYR 15 -3.362 0.479 6.661 113 1HB TYR 15 2HB TYR 15 -5.718 0.844 8.525 114 2HB TYR 15 1HB TYR 15 -5.141 2.041 7.376 115 HD1 TYR 15 1HD TYR 15 -7.097 -0.984 7.835 116 HD2 TYR 15 2HD TYR 15 -5.429 1.665 4.959 117 HE1 TYR 15 1HE TYR 15 -8.595 -1.909 6.120 118 HE2 TYR 15 2HE TYR 15 -6.923 0.750 3.238 119 HH TYR 15 HH TYR 15 -8.213 -1.216 2.775 120 H SER 16 H SER 16 -2.552 2.510 7.424 121 HA SER 16 HA SER 16 -0.911 2.421 9.685 122 1HB SER 16 2HB SER 16 -0.548 3.995 7.840 123 2HB SER 16 1HB SER 16 -2.044 4.836 8.245 124 HG SER 16 HG SER 16 0.446 4.993 9.402 125 HA PRO 17 HA PRO 17 -3.754 3.236 13.034 126 1HB PRO 17 2HB PRO 17 -1.940 4.303 14.783 127 2HB PRO 17 1HB PRO 17 -2.142 2.568 14.517 128 1HG PRO 17 2HG PRO 17 -0.106 4.440 13.374 129 2HG PRO 17 1HG PRO 17 0.112 2.791 13.993 130 1HD PRO 17 2HD PRO 17 -0.021 3.313 11.358 131 2HD PRO 17 1HD PRO 17 -0.695 1.823 12.051 132 H ALA 18 H ALA 18 -1.852 5.525 11.359 133 HA ALA 18 HA ALA 18 -3.183 7.797 12.657 134 1HB ALA 18 1HB ALA 18 -0.740 7.890 12.520 135 2HB ALA 18 2HB ALA 18 -1.494 9.182 11.583 136 3HB ALA 18 3HB ALA 18 -0.838 7.766 10.762 137 H ILE 19 H ILE 19 -4.127 5.807 10.433 138 HA ILE 19 HA ILE 19 -4.464 7.495 8.136 139 HB ILE 19 HB ILE 19 -4.331 4.962 8.055 140 1HG1 ILE 19 2HG1 ILE 19 -6.711 6.275 6.723 141 2HG1 ILE 19 1HG1 ILE 19 -5.048 6.345 6.140 142 1HG2 ILE 19 1HG2 ILE 19 -5.875 4.436 9.857 143 2HG2 ILE 19 2HG2 ILE 19 -6.443 3.728 8.345 144 3HG2 ILE 19 3HG2 ILE 19 -7.203 5.191 8.974 145 1HD1 ILE 19 1HD1 ILE 19 -6.731 3.858 6.398 146 2HD1 ILE 19 2HD1 ILE 19 -5.074 3.929 5.800 147 3HD1 ILE 19 3HD1 ILE 19 -6.369 4.721 4.904 148 H SER 20 H SER 20 -6.301 8.495 7.407 149 HA SER 20 HA SER 20 -8.290 9.174 9.388 150 1HB SER 20 2HB SER 20 -8.079 9.992 6.478 151 2HB SER 20 1HB SER 20 -9.104 10.742 7.703 152 HG SER 20 HG SER 20 -7.421 11.757 8.512 153 H ASN 21 H ASN 21 -10.509 8.724 9.219 154 HA ASN 21 HA ASN 21 -11.116 6.110 8.488 155 1HB ASN 21 2HB ASN 21 -12.854 8.461 9.190 156 2HB ASN 21 1HB ASN 21 -13.552 6.902 8.764 157 1HD2 ASN 21 1HD2 ASN 21 -13.295 5.172 10.129 158 2HD2 ASN 21 2HD2 ASN 21 -12.776 5.343 11.769 159 H GLY 22 H GLY 22 -11.802 9.142 6.762 160 1HA GLY 22 2HA GLY 22 -13.346 7.919 4.712 161 2HA GLY 22 1HA GLY 22 -12.586 9.498 4.617 162 H TYR 23 H TYR 23 -9.888 8.565 5.044 163 HA TYR 23 HA TYR 23 -9.210 7.865 2.396 164 1HB TYR 23 2HB TYR 23 -7.711 8.230 4.951 165 2HB TYR 23 1HB TYR 23 -6.912 7.420 3.616 166 HD1 TYR 23 1HD TYR 23 -7.189 8.680 1.282 167 HD2 TYR 23 2HD TYR 23 -7.454 10.523 5.111 168 HE1 TYR 23 1HE TYR 23 -6.645 10.848 0.264 169 HE2 TYR 23 2HE TYR 23 -6.915 12.704 4.101 170 HH TYR 23 HH TYR 23 -7.085 13.313 0.834 171 H ARG 24 H ARG 24 -9.535 6.030 5.383 172 HA ARG 24 HA ARG 24 -8.582 3.552 4.449 173 1HB ARG 24 2HB ARG 24 -9.076 4.131 6.825 174 2HB ARG 24 1HB ARG 24 -10.790 4.107 6.448 175 1HG ARG 24 2HG ARG 24 -10.556 1.723 5.812 176 2HG ARG 24 1HG ARG 24 -8.887 1.784 6.377 177 1HD ARG 24 2HD ARG 24 -9.643 2.389 8.610 178 2HD ARG 24 1HD ARG 24 -11.317 2.401 8.057 179 HE ARG 24 HE ARG 24 -9.652 0.066 8.589 180 1HH1 ARG 24 1HH1 ARG 24 -12.666 1.359 7.361 181 2HH1 ARG 24 2HH1 ARG 24 -13.516 -0.157 7.469 182 1HH2 ARG 24 1HH2 ARG 24 -10.776 -1.925 8.763 183 2HH2 ARG 24 2HH2 ARG 24 -12.440 -2.017 8.287 184 H GLN 25 H GLN 25 -11.741 5.098 4.317 185 HA GLN 25 HA GLN 25 -13.119 2.972 3.092 186 1HB GLN 25 2HB GLN 25 -13.622 5.941 3.121 187 2HB GLN 25 1HB GLN 25 -14.749 4.775 2.476 188 1HG GLN 25 2HG GLN 25 -14.826 3.694 4.708 189 2HG GLN 25 1HG GLN 25 -13.816 5.002 5.317 190 1HE2 GLN 25 1HE2 GLN 25 -15.177 6.953 3.544 191 2HE2 GLN 25 2HE2 GLN 25 -16.692 7.269 4.314 192 H ARG 26 H ARG 26 -11.416 5.771 1.840 193 HA ARG 26 HA ARG 26 -11.900 5.414 -0.895 194 1HB ARG 26 2HB ARG 26 -10.922 7.449 0.057 195 2HB ARG 26 1HB ARG 26 -9.485 6.558 0.519 196 1HG ARG 26 2HG ARG 26 -8.970 6.165 -1.839 197 2HG ARG 26 1HG ARG 26 -10.406 7.086 -2.297 198 1HD ARG 26 2HD ARG 26 -9.512 9.061 -1.212 199 2HD ARG 26 1HD ARG 26 -8.104 8.153 -0.671 200 HE ARG 26 HE ARG 26 -7.892 7.848 -3.292 201 1HH1 ARG 26 1HH1 ARG 26 -8.720 10.706 -1.450 202 2HH1 ARG 26 2HH1 ARG 26 -7.950 11.797 -2.567 203 1HH2 ARG 26 1HH2 ARG 26 -6.907 9.277 -4.770 204 2HH2 ARG 26 2HH2 ARG 26 -6.936 10.987 -4.461 205 H LEU 27 H LEU 27 -9.351 4.180 1.207 206 HA LEU 27 HA LEU 27 -7.862 2.905 -0.841 207 1HB LEU 27 2HB LEU 27 -7.964 2.439 2.135 208 2HB LEU 27 1HB LEU 27 -6.833 1.629 1.071 209 HG LEU 27 HG LEU 27 -6.981 4.597 1.597 210 1HD1 LEU 27 1HD1 LEU 27 -4.766 4.270 2.586 211 2HD1 LEU 27 2HD1 LEU 27 -4.901 2.534 2.304 212 3HD1 LEU 27 3HD1 LEU 27 -6.001 3.333 3.428 213 1HD2 LEU 27 1HD2 LEU 27 -6.375 4.174 -0.719 214 2HD2 LEU 27 2HD2 LEU 27 -5.128 3.040 -0.199 215 3HD2 LEU 27 3HD2 LEU 27 -4.981 4.754 0.191 216 H PHE 28 H PHE 28 -10.337 1.771 1.393 217 HA PHE 28 HA PHE 28 -10.317 -0.948 0.698 218 1HB PHE 28 2HB PHE 28 -11.520 0.209 2.635 219 2HB PHE 28 1HB PHE 28 -12.779 0.615 1.479 220 HD1 PHE 28 1HD PHE 28 -11.039 -2.182 3.137 221 HD2 PHE 28 2HD PHE 28 -14.391 -0.978 0.811 222 HE1 PHE 28 1HE PHE 28 -12.091 -4.373 3.525 223 HE2 PHE 28 2HE PHE 28 -15.448 -3.166 1.190 224 HZ PHE 28 HZ PHE 28 -14.300 -4.866 2.552 225 H SER 29 H SER 29 -12.113 1.796 -0.581 226 HA SER 29 HA SER 29 -13.643 0.375 -2.487 227 1HB SER 29 2HB SER 29 -12.786 3.277 -2.434 228 2HB SER 29 1HB SER 29 -14.035 2.605 -3.478 229 HG SER 29 HG SER 29 -14.046 2.976 -0.685 230 H MET 30 H MET 30 -10.421 1.703 -2.539 231 HA MET 30 HA MET 30 -10.069 1.416 -5.378 232 1HB MET 30 2HB MET 30 -8.148 1.961 -3.122 233 2HB MET 30 1HB MET 30 -7.613 1.752 -4.782 234 1HG MET 30 2HG MET 30 -9.018 3.639 -5.464 235 2HG MET 30 1HG MET 30 -9.527 3.850 -3.790 236 1HE MET 30 1HE MET 30 -6.478 3.947 -6.278 237 2HE MET 30 2HE MET 30 -5.926 2.840 -5.022 238 3HE MET 30 3HE MET 30 -5.165 4.421 -5.202 239 H GLY 31 H GLY 31 -9.919 -0.679 -2.690 240 1HA GLY 31 2HA GLY 31 -9.903 -3.048 -3.057 241 2HA GLY 31 1HA GLY 31 -8.865 -2.792 -4.449 242 H LEU 32 H LEU 32 -8.050 -0.939 -1.720 243 HA LEU 32 HA LEU 32 -5.731 -2.667 -1.250 244 1HB LEU 32 2HB LEU 32 -6.195 0.218 -0.500 245 2HB LEU 32 1HB LEU 32 -4.721 -0.686 -0.201 246 HG LEU 32 HG LEU 32 -5.844 -0.025 -2.926 247 1HD1 LEU 32 1HD1 LEU 32 -4.988 1.949 -1.804 248 2HD1 LEU 32 2HD1 LEU 32 -3.900 1.462 -3.105 249 3HD1 LEU 32 3HD1 LEU 32 -3.485 1.104 -1.429 250 1HD2 LEU 32 1HD2 LEU 32 -4.616 -2.136 -2.902 251 2HD2 LEU 32 2HD2 LEU 32 -3.246 -1.335 -2.136 252 3HD2 LEU 32 3HD2 LEU 32 -3.724 -0.892 -3.775 253 H LEU 33 H LEU 33 -6.373 -4.145 0.213 254 HA LEU 33 HA LEU 33 -7.293 -3.151 2.808 255 1HB LEU 33 2HB LEU 33 -8.829 -5.012 3.010 256 2HB LEU 33 1HB LEU 33 -9.232 -4.054 1.605 257 HG LEU 33 HG LEU 33 -7.593 -6.562 1.349 258 1HD1 LEU 33 1HD1 LEU 33 -10.599 -6.343 1.322 259 2HD1 LEU 33 2HD1 LEU 33 -9.634 -7.145 2.562 260 3HD1 LEU 33 3HD1 LEU 33 -9.661 -7.780 0.916 261 1HD2 LEU 33 1HD2 LEU 33 -8.539 -6.576 -0.906 262 2HD2 LEU 33 2HD2 LEU 33 -7.687 -5.066 -0.586 263 3HD2 LEU 33 3HD2 LEU 33 -9.449 -5.110 -0.537 264 HA PRO 34 HA PRO 34 -4.185 -5.780 4.614 265 1HB PRO 34 2HB PRO 34 -6.236 -6.826 6.479 266 2HB PRO 34 1HB PRO 34 -4.724 -5.984 6.829 267 1HG PRO 34 2HG PRO 34 -7.088 -4.771 7.134 268 2HG PRO 34 1HG PRO 34 -5.666 -3.890 6.540 269 1HD PRO 34 2HD PRO 34 -8.008 -4.965 5.020 270 2HD PRO 34 1HD PRO 34 -7.133 -3.435 4.807 271 H GLY 35 H GLY 35 -3.432 -7.679 3.936 272 1HA GLY 35 2HA GLY 35 -3.743 -10.111 3.829 273 2HA GLY 35 1HA GLY 35 -5.394 -9.798 3.314 274 H ALA 36 H ALA 36 -4.002 -7.471 1.717 275 HA ALA 36 HA ALA 36 -3.684 -9.054 -0.681 276 1HB ALA 36 1HB ALA 36 -5.097 -7.036 -0.738 277 2HB ALA 36 2HB ALA 36 -3.740 -6.928 -1.858 278 3HB ALA 36 3HB ALA 36 -3.690 -6.053 -0.328 279 H ALA 37 H ALA 37 -1.964 -8.019 -2.180 280 HA ALA 37 HA ALA 37 0.554 -7.509 -0.806 281 1HB ALA 37 1HB ALA 37 0.407 -9.954 -0.892 282 2HB ALA 37 2HB ALA 37 1.714 -9.349 -1.910 283 3HB ALA 37 3HB ALA 37 0.198 -9.877 -2.640 284 H LEU 38 H LEU 38 2.165 -6.643 -2.122 285 HA LEU 38 HA LEU 38 1.391 -5.959 -4.884 286 1HB LEU 38 2HB LEU 38 2.888 -4.157 -2.988 287 2HB LEU 38 1HB LEU 38 2.400 -3.776 -4.623 288 HG LEU 38 HG LEU 38 0.478 -4.260 -2.343 289 1HD1 LEU 38 1HD1 LEU 38 1.369 -1.671 -3.610 290 2HD1 LEU 38 2HD1 LEU 38 1.791 -2.228 -1.990 291 3HD1 LEU 38 3HD1 LEU 38 0.115 -1.849 -2.385 292 1HD2 LEU 38 1HD2 LEU 38 -0.441 -4.791 -4.545 293 2HD2 LEU 38 2HD2 LEU 38 0.043 -3.201 -5.134 294 3HD2 LEU 38 3HD2 LEU 38 -1.184 -3.339 -3.874 295 H ARG 39 H ARG 39 2.878 -6.390 -6.346 296 HA ARG 39 HA ARG 39 5.527 -7.259 -5.401 297 1HB ARG 39 2HB ARG 39 4.219 -8.999 -6.538 298 2HB ARG 39 1HB ARG 39 4.043 -7.958 -7.943 299 1HG ARG 39 2HG ARG 39 6.351 -8.119 -8.459 300 2HG ARG 39 1HG ARG 39 6.704 -8.910 -6.918 301 1HD ARG 39 2HD ARG 39 4.979 -10.039 -9.123 302 2HD ARG 39 1HD ARG 39 6.647 -10.507 -8.786 303 HE ARG 39 HE ARG 39 5.330 -10.887 -6.420 304 1HH1 ARG 39 1HH1 ARG 39 4.902 -12.055 -9.694 305 2HH1 ARG 39 2HH1 ARG 39 4.204 -13.568 -9.207 306 1HH2 ARG 39 1HH2 ARG 39 4.401 -12.860 -5.771 307 2HH2 ARG 39 2HH2 ARG 39 3.916 -14.030 -6.960 308 H VAL 40 H VAL 40 7.279 -6.127 -6.007 309 HA VAL 40 HA VAL 40 6.958 -3.578 -7.161 310 HB VAL 40 HB VAL 40 8.774 -4.117 -5.580 311 1HG1 VAL 40 1HG1 VAL 40 9.380 -6.320 -6.387 312 2HG1 VAL 40 2HG1 VAL 40 10.787 -5.256 -6.336 313 3HG1 VAL 40 3HG1 VAL 40 10.008 -5.615 -7.877 314 1HG2 VAL 40 1HG2 VAL 40 10.556 -2.860 -6.729 315 2HG2 VAL 40 2HG2 VAL 40 8.966 -2.128 -6.938 316 3HG2 VAL 40 3HG2 VAL 40 9.687 -3.059 -8.251 317 H VAL 41 H VAL 41 6.751 -2.970 -9.183 318 HA VAL 41 HA VAL 41 7.693 -4.723 -11.336 319 HB VAL 41 HB VAL 41 6.028 -2.196 -11.448 320 1HG1 VAL 41 1HG1 VAL 41 5.646 -2.777 -13.802 321 2HG1 VAL 41 2HG1 VAL 41 6.770 -4.127 -13.647 322 3HG1 VAL 41 3HG1 VAL 41 7.354 -2.470 -13.481 323 1HG2 VAL 41 1HG2 VAL 41 4.199 -3.713 -12.075 324 2HG2 VAL 41 2HG2 VAL 41 4.820 -4.055 -10.460 325 3HG2 VAL 41 3HG2 VAL 41 5.271 -5.090 -11.815 326 H ARG 42 H ARG 42 7.871 -1.327 -10.320 327 HA ARG 42 HA ARG 42 10.656 -1.185 -11.120 328 1HB ARG 42 2HB ARG 42 8.526 0.514 -12.425 329 2HB ARG 42 1HB ARG 42 10.216 0.985 -12.383 330 1HG ARG 42 2HG ARG 42 10.761 -1.141 -13.571 331 2HG ARG 42 1HG ARG 42 9.027 -1.416 -13.752 332 1HD ARG 42 2HD ARG 42 9.940 -0.386 -15.756 333 2HD ARG 42 1HD ARG 42 8.822 0.712 -14.947 334 HE ARG 42 HE ARG 42 11.763 0.933 -14.769 335 1HH1 ARG 42 1HH1 ARG 42 8.580 2.393 -14.946 336 2HH1 ARG 42 2HH1 ARG 42 9.185 4.024 -14.908 337 1HH2 ARG 42 1HH2 ARG 42 12.563 3.051 -14.716 338 2HH2 ARG 42 2HH2 ARG 42 11.462 4.405 -14.768 339 H ILE 43 H ILE 43 11.715 0.714 -10.285 340 HA ILE 43 HA ILE 43 10.128 2.222 -8.309 341 HB ILE 43 HB ILE 43 12.982 1.274 -7.918 342 1HG1 ILE 43 2HG1 ILE 43 10.432 0.461 -6.499 343 2HG1 ILE 43 1HG1 ILE 43 11.313 -0.531 -7.657 344 1HG2 ILE 43 1HG2 ILE 43 12.762 2.233 -5.668 345 2HG2 ILE 43 2HG2 ILE 43 11.167 2.853 -6.095 346 3HG2 ILE 43 3HG2 ILE 43 12.600 3.460 -6.924 347 1HD1 ILE 43 1HD1 ILE 43 12.364 0.410 -4.999 348 2HD1 ILE 43 2HD1 ILE 43 13.215 -0.623 -6.147 349 3HD1 ILE 43 3HD1 ILE 43 11.750 -1.204 -5.355 350 H ALA 44 H ALA 44 10.317 4.378 -8.450 351 HA ALA 44 HA ALA 44 11.698 5.592 -10.592 352 1HB ALA 44 1HB ALA 44 9.679 6.567 -9.647 353 2HB ALA 44 2HB ALA 44 11.014 7.715 -9.560 354 3HB ALA 44 3HB ALA 44 10.507 6.844 -8.113 355 HA PRO 45 HA PRO 45 15.820 5.846 -9.150 356 1HB PRO 45 2HB PRO 45 15.934 8.538 -10.384 357 2HB PRO 45 1HB PRO 45 16.920 7.107 -10.706 358 1HG PRO 45 2HG PRO 45 15.049 7.887 -12.436 359 2HG PRO 45 1HG PRO 45 15.326 6.165 -12.115 360 1HD PRO 45 2HD PRO 45 13.153 7.958 -11.107 361 2HD PRO 45 1HD PRO 45 13.060 6.271 -11.654 362 H LEU 46 H LEU 46 13.545 8.264 -8.252 363 HA LEU 46 HA LEU 46 15.407 9.678 -6.521 364 1HB LEU 46 2HB LEU 46 12.438 10.075 -6.916 365 2HB LEU 46 1HB LEU 46 13.482 11.107 -5.961 366 HG LEU 46 HG LEU 46 13.171 12.274 -7.952 367 1HD1 LEU 46 1HD1 LEU 46 15.489 12.261 -7.325 368 2HD1 LEU 46 2HD1 LEU 46 15.354 12.249 -9.084 369 3HD1 LEU 46 3HD1 LEU 46 15.759 10.767 -8.218 370 1HD2 LEU 46 1HD2 LEU 46 12.143 10.490 -9.251 371 2HD2 LEU 46 2HD2 LEU 46 13.720 9.734 -9.478 372 3HD2 LEU 46 3HD2 LEU 46 13.391 11.317 -10.183 373 H GLY 47 H GLY 47 13.307 7.016 -6.310 374 1HA GLY 47 2HA GLY 47 13.070 5.651 -4.385 375 2HA GLY 47 1HA GLY 47 13.496 7.035 -3.382 376 H ASP 48 H ASP 48 11.629 8.629 -5.142 377 HA ASP 48 HA ASP 48 9.240 8.456 -3.663 378 1HB ASP 48 2HB ASP 48 10.189 9.986 -6.040 379 2HB ASP 48 1HB ASP 48 8.451 9.914 -5.750 380 HA PRO 49 HA PRO 49 6.006 6.011 -4.800 381 1HB PRO 49 2HB PRO 49 5.424 7.023 -7.490 382 2HB PRO 49 1HB PRO 49 4.372 6.874 -6.087 383 1HG PRO 49 2HG PRO 49 5.908 9.184 -6.969 384 2HG PRO 49 1HG PRO 49 4.663 9.089 -5.711 385 1HD PRO 49 2HD PRO 49 7.255 9.560 -5.125 386 2HD PRO 49 1HD PRO 49 6.213 8.602 -4.046 387 H ILE 50 H ILE 50 5.437 4.156 -5.890 388 HA ILE 50 HA ILE 50 7.650 3.060 -7.493 389 HB ILE 50 HB ILE 50 6.262 1.677 -5.186 390 1HG1 ILE 50 2HG1 ILE 50 9.085 2.750 -5.332 391 2HG1 ILE 50 1HG1 ILE 50 7.766 3.528 -4.470 392 1HG2 ILE 50 1HG2 ILE 50 8.623 0.810 -6.851 393 2HG2 ILE 50 2HG2 ILE 50 6.998 0.127 -6.916 394 3HG2 ILE 50 3HG2 ILE 50 7.973 -0.051 -5.456 395 1HD1 ILE 50 1HD1 ILE 50 8.858 0.794 -3.866 396 2HD1 ILE 50 2HD1 ILE 50 7.581 1.628 -2.981 397 3HD1 ILE 50 3HD1 ILE 50 9.224 2.270 -2.975 398 H GLN 51 H GLN 51 7.084 1.695 -9.123 399 HA GLN 51 HA GLN 51 4.271 1.316 -9.669 400 1HB GLN 51 2HB GLN 51 6.765 0.568 -11.199 401 2HB GLN 51 1HB GLN 51 5.141 0.207 -11.744 402 1HG GLN 51 2HG GLN 51 5.757 2.129 -12.899 403 2HG GLN 51 1HG GLN 51 4.691 2.693 -11.621 404 1HE2 GLN 51 1HE2 GLN 51 5.541 4.772 -11.683 405 2HE2 GLN 51 2HE2 GLN 51 7.113 5.147 -11.076 406 H VAL 52 H VAL 52 3.206 -0.403 -8.999 407 HA VAL 52 HA VAL 52 4.695 -2.881 -8.446 408 HB VAL 52 HB VAL 52 3.311 -3.266 -6.436 409 1HG1 VAL 52 1HG1 VAL 52 4.494 -1.734 -4.962 410 2HG1 VAL 52 2HG1 VAL 52 4.890 -0.697 -6.333 411 3HG1 VAL 52 3HG1 VAL 52 5.566 -2.323 -6.234 412 1HG2 VAL 52 1HG2 VAL 52 1.398 -1.877 -6.964 413 2HG2 VAL 52 2HG2 VAL 52 2.397 -0.425 -6.892 414 3HG2 VAL 52 3HG2 VAL 52 2.098 -1.365 -5.428 415 H GLU 53 H GLU 53 3.326 -4.788 -8.337 416 HA GLU 53 HA GLU 53 0.979 -4.531 -10.093 417 1HB GLU 53 2HB GLU 53 2.791 -5.635 -11.263 418 2HB GLU 53 1HB GLU 53 3.051 -6.727 -9.913 419 1HG GLU 53 2HG GLU 53 1.922 -7.836 -11.757 420 2HG GLU 53 1HG GLU 53 0.904 -7.779 -10.320 421 H THR 54 H THR 54 -0.843 -5.657 -9.547 422 HA THR 54 HA THR 54 -0.896 -6.688 -6.805 423 HB THR 54 HB THR 54 -3.394 -6.570 -7.106 424 HG1 THR 54 1HG THR 54 -2.902 -4.961 -9.389 425 1HG2 THR 54 1HG2 THR 54 -1.864 -4.004 -7.550 426 2HG2 THR 54 2HG2 THR 54 -2.199 -4.758 -5.992 427 3HG2 THR 54 3HG2 THR 54 -3.524 -4.116 -6.963 428 H ARG 55 H ARG 55 -1.728 -7.461 -10.109 429 HA ARG 55 HA ARG 55 -1.351 -10.155 -10.190 430 1HB ARG 55 2HB ARG 55 -3.257 -9.865 -8.309 431 2HB ARG 55 1HB ARG 55 -4.288 -9.854 -9.729 432 1HG ARG 55 2HG ARG 55 -2.301 -12.039 -9.510 433 2HG ARG 55 1HG ARG 55 -3.674 -12.072 -8.411 434 1HD ARG 55 2HD ARG 55 -4.306 -13.351 -10.282 435 2HD ARG 55 1HD ARG 55 -5.149 -11.812 -10.438 436 HE ARG 55 HE ARG 55 -2.760 -11.606 -11.856 437 1HH1 ARG 55 1HH1 ARG 55 -5.718 -13.454 -11.971 438 2HH1 ARG 55 2HH1 ARG 55 -5.703 -13.624 -13.696 439 1HH2 ARG 55 1HH2 ARG 55 -2.725 -11.799 -14.129 440 2HH2 ARG 55 2HH2 ARG 55 -3.994 -12.681 -14.935 441 H GLN 56 H GLN 56 -3.753 -7.664 -10.849 442 HA GLN 56 HA GLN 56 -4.046 -8.627 -13.615 443 1HB GLN 56 2HB GLN 56 -6.029 -8.355 -11.936 444 2HB GLN 56 1HB GLN 56 -5.862 -6.641 -12.264 445 1HG GLN 56 2HG GLN 56 -6.384 -8.744 -14.351 446 2HG GLN 56 1HG GLN 56 -7.624 -7.758 -13.587 447 1HE2 GLN 56 1HE2 GLN 56 -5.125 -7.912 -15.930 448 2HE2 GLN 56 2HE2 GLN 56 -5.375 -6.341 -16.626 449 H THR 57 H THR 57 -3.839 -5.629 -11.698 450 HA THR 57 HA THR 57 -2.752 -4.287 -14.068 451 HB THR 57 HB THR 57 -5.071 -3.616 -13.882 452 HG1 THR 57 1HG THR 57 -3.255 -2.002 -14.242 453 1HG2 THR 57 1HG2 THR 57 -4.396 -2.780 -11.060 454 2HG2 THR 57 2HG2 THR 57 -5.463 -4.103 -11.534 455 3HG2 THR 57 3HG2 THR 57 -5.913 -2.435 -11.892 456 H SER 58 H SER 58 -1.204 -2.723 -13.714 457 HA SER 58 HA SER 58 0.133 -2.923 -11.135 458 1HB SER 58 2HB SER 58 1.093 -1.524 -13.634 459 2HB SER 58 1HB SER 58 2.064 -2.028 -12.253 460 HG SER 58 HG SER 58 0.848 -4.197 -13.084 461 H LEU 59 H LEU 59 0.499 -1.227 -9.782 462 HA LEU 59 HA LEU 59 -0.839 1.310 -10.447 463 1HB LEU 59 2HB LEU 59 -0.799 -0.201 -7.847 464 2HB LEU 59 1HB LEU 59 -1.191 1.502 -7.922 465 HG LEU 59 HG LEU 59 -3.075 0.853 -9.518 466 1HD1 LEU 59 1HD1 LEU 59 -3.895 -1.436 -9.349 467 2HD1 LEU 59 2HD1 LEU 59 -2.486 -1.877 -8.383 468 3HD1 LEU 59 3HD1 LEU 59 -2.285 -1.390 -10.066 469 1HD2 LEU 59 1HD2 LEU 59 -3.128 -0.092 -6.657 470 2HD2 LEU 59 2HD2 LEU 59 -4.547 0.220 -7.657 471 3HD2 LEU 59 3HD2 LEU 59 -3.462 1.543 -7.230 472 H ALA 60 H ALA 60 -0.070 3.144 -9.067 473 HA ALA 60 HA ALA 60 2.663 2.869 -8.044 474 1HB ALA 60 1HB ALA 60 1.854 5.014 -10.014 475 2HB ALA 60 2HB ALA 60 2.904 3.641 -10.369 476 3HB ALA 60 3HB ALA 60 3.418 4.870 -9.212 477 H LEU 61 H LEU 61 2.837 3.865 -6.122 478 HA LEU 61 HA LEU 61 0.731 5.780 -5.394 479 1HB LEU 61 2HB LEU 61 0.717 4.706 -3.129 480 2HB LEU 61 1HB LEU 61 0.030 3.745 -4.417 481 HG LEU 61 HG LEU 61 2.463 2.744 -4.483 482 1HD1 LEU 61 1HD1 LEU 61 3.403 2.524 -2.235 483 2HD1 LEU 61 2HD1 LEU 61 2.207 3.674 -1.637 484 3HD1 LEU 61 3HD1 LEU 61 3.421 4.191 -2.808 485 1HD2 LEU 61 1HD2 LEU 61 0.425 1.478 -4.115 486 2HD2 LEU 61 2HD2 LEU 61 0.393 1.999 -2.430 487 3HD2 LEU 61 3HD2 LEU 61 1.693 0.955 -3.007 488 H ARG 62 H ARG 62 1.281 7.341 -3.840 489 HA ARG 62 HA ARG 62 4.109 8.032 -3.990 490 1HB ARG 62 2HB ARG 62 1.749 9.585 -2.911 491 2HB ARG 62 1HB ARG 62 3.391 10.195 -2.982 492 1HG ARG 62 2HG ARG 62 2.260 11.141 -4.805 493 2HG ARG 62 1HG ARG 62 3.275 9.867 -5.481 494 1HD ARG 62 2HD ARG 62 1.509 8.607 -6.103 495 2HD ARG 62 1HD ARG 62 0.546 9.072 -4.701 496 HE ARG 62 HE ARG 62 0.965 10.995 -6.880 497 1HH1 ARG 62 1HH1 ARG 62 -1.156 8.975 -4.953 498 2HH1 ARG 62 2HH1 ARG 62 -2.612 9.698 -5.581 499 1HH2 ARG 62 1HH2 ARG 62 -0.952 11.923 -7.723 500 2HH2 ARG 62 2HH2 ARG 62 -2.497 11.368 -7.142 501 H ARG 63 H ARG 63 4.925 9.241 -1.952 502 HA ARG 63 HA ARG 63 5.259 7.511 0.185 503 1HB ARG 63 2HB ARG 63 5.336 10.533 0.301 504 2HB ARG 63 1HB ARG 63 6.084 9.434 1.451 505 1HG ARG 63 2HG ARG 63 7.573 8.609 -0.298 506 2HG ARG 63 1HG ARG 63 6.823 9.707 -1.458 507 1HD ARG 63 2HD ARG 63 7.492 11.592 0.061 508 2HD ARG 63 1HD ARG 63 8.425 10.420 0.990 509 HE ARG 63 HE ARG 63 8.932 10.966 -1.878 510 1HH1 ARG 63 1HH1 ARG 63 10.078 10.441 1.406 511 2HH1 ARG 63 2HH1 ARG 63 11.757 10.519 0.967 512 1HH2 ARG 63 1HH2 ARG 63 11.158 11.090 -2.448 513 2HH2 ARG 63 2HH2 ARG 63 12.367 10.885 -1.204 514 H LYS 64 H LYS 64 2.825 10.037 -0.270 515 HA LYS 64 HA LYS 64 1.650 9.936 2.272 516 1HB LYS 64 2HB LYS 64 1.151 11.734 0.692 517 2HB LYS 64 1HB LYS 64 0.369 10.587 -0.390 518 1HG LYS 64 2HG LYS 64 -1.277 10.111 1.429 519 2HG LYS 64 1HG LYS 64 -0.548 11.427 2.350 520 1HD LYS 64 2HD LYS 64 -1.118 13.007 0.607 521 2HD LYS 64 1HD LYS 64 -1.774 11.707 -0.392 522 1HE LYS 64 2HE LYS 64 -3.441 11.243 1.359 523 2HE LYS 64 1HE LYS 64 -2.807 12.590 2.300 524 1HZ LYS 64 1HZ LYS 64 -4.063 12.770 -0.389 525 2HZ LYS 64 2HZ LYS 64 -3.412 14.076 0.479 526 3HZ LYS 64 3HZ LYS 64 -4.765 13.248 1.082 527 H ASP 65 H ASP 65 0.778 8.240 -0.714 528 HA ASP 65 HA ASP 65 -1.405 6.825 0.364 529 1HB ASP 65 2HB ASP 65 0.346 6.008 -1.961 530 2HB ASP 65 1HB ASP 65 -1.303 5.491 -1.650 531 H LEU 66 H LEU 66 2.002 6.083 -0.033 532 HA LEU 66 HA LEU 66 2.019 3.428 0.829 533 1HB LEU 66 2HB LEU 66 3.911 4.564 -0.256 534 2HB LEU 66 1HB LEU 66 4.124 5.571 1.159 535 HG LEU 66 HG LEU 66 4.638 3.494 2.467 536 1HD1 LEU 66 1HD1 LEU 66 4.710 2.241 -0.268 537 2HD1 LEU 66 2HD1 LEU 66 3.558 1.875 1.015 538 3HD1 LEU 66 3HD1 LEU 66 5.265 1.489 1.228 539 1HD2 LEU 66 1HD2 LEU 66 6.427 4.111 0.117 540 2HD2 LEU 66 2HD2 LEU 66 6.917 3.282 1.595 541 3HD2 LEU 66 3HD2 LEU 66 6.404 4.968 1.657 542 H ALA 67 H ALA 67 2.285 6.446 2.663 543 HA ALA 67 HA ALA 67 2.799 5.172 5.150 544 1HB ALA 67 1HB ALA 67 2.479 7.365 6.142 545 2HB ALA 67 2HB ALA 67 1.788 7.966 4.633 546 3HB ALA 67 3HB ALA 67 3.480 7.471 4.696 547 H LEU 68 H LEU 68 -0.064 5.553 3.368 548 HA LEU 68 HA LEU 68 -1.857 5.563 5.629 549 1HB LEU 68 2HB LEU 68 -2.366 5.037 2.700 550 2HB LEU 68 1HB LEU 68 -3.614 5.176 3.925 551 HG LEU 68 HG LEU 68 -1.710 7.386 3.133 552 1HD1 LEU 68 1HD1 LEU 68 -3.632 8.411 2.057 553 2HD1 LEU 68 2HD1 LEU 68 -4.637 7.029 2.496 554 3HD1 LEU 68 3HD1 LEU 68 -3.310 6.824 1.354 555 1HD2 LEU 68 1HD2 LEU 68 -3.168 8.811 4.477 556 2HD2 LEU 68 2HD2 LEU 68 -2.451 7.533 5.457 557 3HD2 LEU 68 3HD2 LEU 68 -4.130 7.404 4.935 558 H LEU 69 H LEU 69 -0.271 3.209 3.636 559 HA LEU 69 HA LEU 69 -1.882 1.061 4.845 560 1HB LEU 69 2HB LEU 69 -0.032 1.037 2.457 561 2HB LEU 69 1HB LEU 69 -0.814 -0.385 3.118 562 HG LEU 69 HG LEU 69 -2.270 1.993 1.966 563 1HD1 LEU 69 1HD1 LEU 69 -1.011 0.774 0.265 564 2HD1 LEU 69 2HD1 LEU 69 -2.749 0.547 0.070 565 3HD1 LEU 69 3HD1 LEU 69 -1.767 -0.733 0.784 566 1HD2 LEU 69 1HD2 LEU 69 -3.268 -0.718 2.835 567 2HD2 LEU 69 2HD2 LEU 69 -4.232 0.546 2.071 568 3HD2 LEU 69 3HD2 LEU 69 -3.547 0.808 3.674 569 H THR 70 H THR 70 -0.931 -0.440 6.191 570 HA THR 70 HA THR 70 1.905 -0.079 6.780 571 HB THR 70 HB THR 70 0.076 -2.112 8.032 572 HG1 THR 70 1HG THR 70 0.446 0.646 8.622 573 1HG2 THR 70 1HG2 THR 70 2.591 -0.752 8.995 574 2HG2 THR 70 2HG2 THR 70 2.471 -2.415 8.420 575 3HG2 THR 70 3HG2 THR 70 1.654 -1.935 9.909 576 H LEU 71 H LEU 71 3.302 -1.110 5.587 577 HA LEU 71 HA LEU 71 2.479 -3.594 4.241 578 1HB LEU 71 2HB LEU 71 4.416 -1.444 3.376 579 2HB LEU 71 1HB LEU 71 4.255 -2.985 2.559 580 HG LEU 71 HG LEU 71 2.080 -0.910 2.829 581 1HD1 LEU 71 1HD1 LEU 71 2.389 -0.582 0.437 582 2HD1 LEU 71 2HD1 LEU 71 3.720 -1.738 0.437 583 3HD1 LEU 71 3HD1 LEU 71 3.874 -0.218 1.316 584 1HD2 LEU 71 1HD2 LEU 71 0.844 -2.321 1.276 585 2HD2 LEU 71 2HD2 LEU 71 1.208 -3.185 2.770 586 3HD2 LEU 71 3HD2 LEU 71 2.146 -3.511 1.313 587 H VAL 72 H VAL 72 3.619 -5.361 4.576 588 HA VAL 72 HA VAL 72 6.343 -5.102 5.658 589 HB VAL 72 HB VAL 72 5.954 -7.221 6.944 590 1HG1 VAL 72 1HG1 VAL 72 4.203 -4.882 7.716 591 2HG1 VAL 72 2HG1 VAL 72 5.927 -5.034 8.053 592 3HG1 VAL 72 3HG1 VAL 72 4.780 -6.142 8.806 593 1HG2 VAL 72 1HG2 VAL 72 3.062 -6.661 6.290 594 2HG2 VAL 72 2HG2 VAL 72 3.632 -7.861 7.450 595 3HG2 VAL 72 3HG2 VAL 72 4.008 -8.043 5.736 596 HA PRO 73 HA PRO 73 7.330 -7.649 2.183 597 1HB PRO 73 2HB PRO 73 9.669 -8.749 3.065 598 2HB PRO 73 1HB PRO 73 9.543 -7.094 2.457 599 1HG PRO 73 2HG PRO 73 9.616 -8.081 5.278 600 2HG PRO 73 1HG PRO 73 10.396 -6.657 4.566 601 1HD PRO 73 2HD PRO 73 8.116 -6.495 6.030 602 2HD PRO 73 1HD PRO 73 8.482 -5.384 4.697 603 H LEU 74 H LEU 74 7.556 -9.897 1.574 604 HA LEU 74 HA LEU 74 6.042 -11.719 3.031 605 1HB LEU 74 2HB LEU 74 8.180 -12.247 0.965 606 2HB LEU 74 1HB LEU 74 7.026 -13.430 1.534 607 HG LEU 74 HG LEU 74 6.403 -10.933 -0.032 608 1HD1 LEU 74 1HD1 LEU 74 7.360 -12.729 -1.365 609 2HD1 LEU 74 2HD1 LEU 74 5.650 -12.514 -1.739 610 3HD1 LEU 74 3HD1 LEU 74 6.167 -13.857 -0.722 611 1HD2 LEU 74 1HD2 LEU 74 4.540 -13.028 1.075 612 2HD2 LEU 74 2HD2 LEU 74 4.084 -11.722 -0.020 613 3HD2 LEU 74 3HD2 LEU 74 4.656 -11.352 1.607 614 H ASP 75 H ASP 75 9.573 -11.866 2.541 615 HA ASP 75 HA ASP 75 9.914 -12.665 5.318 616 1HB ASP 75 2HB ASP 75 10.603 -14.390 2.957 617 2HB ASP 75 1HB ASP 75 11.563 -14.474 4.427 Start of MODEL 17 1 HA MET 1 HA MET 1 5.796 -2.824 -23.971 2 1HB MET 1 2HB MET 1 5.759 -0.375 -24.359 3 2HB MET 1 1HB MET 1 5.586 -0.120 -22.628 4 1HG MET 1 2HG MET 1 7.761 -1.115 -22.238 5 2HG MET 1 1HG MET 1 7.936 -1.450 -23.959 6 1HE MET 1 1HE MET 1 10.261 -0.244 -24.055 7 2HE MET 1 2HE MET 1 10.156 0.058 -22.321 8 3HE MET 1 3HE MET 1 10.559 1.375 -23.425 9 H SER 2 H SER 2 6.975 -4.000 -22.573 10 HA SER 2 HA SER 2 6.179 -3.879 -19.743 11 1HB SER 2 2HB SER 2 7.186 -6.201 -19.637 12 2HB SER 2 1HB SER 2 5.738 -6.056 -20.634 13 HG SER 2 HG SER 2 8.407 -5.981 -21.614 14 H ALA 3 H ALA 3 7.525 -2.480 -18.789 15 HA ALA 3 HA ALA 3 10.411 -3.062 -19.006 16 1HB ALA 3 1HB ALA 3 10.848 -0.702 -18.484 17 2HB ALA 3 2HB ALA 3 9.114 -0.383 -18.504 18 3HB ALA 3 3HB ALA 3 9.937 -0.881 -19.982 19 H LEU 4 H LEU 4 9.991 -4.621 -17.325 20 HA LEU 4 HA LEU 4 9.328 -3.454 -14.712 21 1HB LEU 4 2HB LEU 4 9.150 -6.298 -15.703 22 2HB LEU 4 1HB LEU 4 8.931 -5.844 -14.027 23 HG LEU 4 HG LEU 4 7.015 -4.346 -14.865 24 1HD1 LEU 4 1HD1 LEU 4 7.272 -6.162 -17.253 25 2HD1 LEU 4 2HD1 LEU 4 7.580 -4.426 -17.243 26 3HD1 LEU 4 3HD1 LEU 4 5.953 -5.035 -16.936 27 1HD2 LEU 4 1HD2 LEU 4 6.791 -7.345 -15.045 28 2HD2 LEU 4 2HD2 LEU 4 5.446 -6.224 -14.842 29 3HD2 LEU 4 3HD2 LEU 4 6.666 -6.375 -13.576 30 H GLN 5 H GLN 5 10.534 -4.035 -12.887 31 HA GLN 5 HA GLN 5 12.889 -5.702 -13.245 32 1HB GLN 5 2HB GLN 5 13.625 -3.331 -13.646 33 2HB GLN 5 1HB GLN 5 13.111 -2.950 -12.008 34 1HG GLN 5 2HG GLN 5 14.708 -4.689 -11.190 35 2HG GLN 5 1HG GLN 5 15.303 -4.832 -12.844 36 1HE2 GLN 5 1HE2 GLN 5 15.174 -2.877 -10.003 37 2HE2 GLN 5 2HE2 GLN 5 16.369 -1.719 -10.484 38 HA PRO 6 HA PRO 6 10.315 -6.525 -9.542 39 1HB PRO 6 2HB PRO 6 11.380 -9.248 -9.876 40 2HB PRO 6 1HB PRO 6 9.703 -8.697 -9.820 41 1HG PRO 6 2HG PRO 6 10.834 -9.553 -12.100 42 2HG PRO 6 1HG PRO 6 9.638 -8.244 -12.082 43 1HD PRO 6 2HD PRO 6 12.623 -8.081 -12.294 44 2HD PRO 6 1HD PRO 6 11.382 -7.158 -13.169 45 H SER 7 H SER 7 10.807 -7.044 -7.408 46 HA SER 7 HA SER 7 13.611 -7.634 -6.795 47 1HB SER 7 2HB SER 7 13.028 -5.151 -6.536 48 2HB SER 7 1HB SER 7 11.987 -5.642 -5.201 49 HG SER 7 HG SER 7 14.797 -6.023 -5.427 50 H ARG 8 H ARG 8 10.623 -6.998 -4.926 51 HA ARG 8 HA ARG 8 10.465 -9.818 -4.227 52 1HB ARG 8 2HB ARG 8 10.980 -7.610 -2.261 53 2HB ARG 8 1HB ARG 8 10.043 -9.013 -1.777 54 1HG ARG 8 2HG ARG 8 11.940 -10.458 -2.428 55 2HG ARG 8 1HG ARG 8 12.870 -9.006 -2.799 56 1HD ARG 8 2HD ARG 8 12.742 -8.278 -0.511 57 2HD ARG 8 1HD ARG 8 11.660 -9.609 -0.106 58 HE ARG 8 HE ARG 8 14.340 -10.253 -1.116 59 1HH1 ARG 8 1HH1 ARG 8 12.105 -10.090 1.567 60 2HH1 ARG 8 2HH1 ARG 8 13.012 -11.172 2.575 61 1HH2 ARG 8 1HH2 ARG 8 15.576 -11.645 0.205 62 2HH2 ARG 8 2HH2 ARG 8 15.029 -12.026 1.807 63 H SER 9 H SER 9 8.470 -10.132 -2.761 64 HA SER 9 HA SER 9 6.324 -8.334 -3.660 65 1HB SER 9 2HB SER 9 6.197 -10.720 -4.488 66 2HB SER 9 1HB SER 9 6.014 -11.225 -2.809 67 HG SER 9 HG SER 9 4.284 -9.226 -3.484 68 H TYR 10 H TYR 10 5.009 -7.459 -2.115 69 HA TYR 10 HA TYR 10 5.786 -8.018 0.676 70 1HB TYR 10 2HB TYR 10 4.860 -5.325 -0.326 71 2HB TYR 10 1HB TYR 10 5.682 -5.702 1.185 72 HD1 TYR 10 1HD TYR 10 6.073 -4.721 -2.238 73 HD2 TYR 10 2HD TYR 10 8.115 -6.450 1.069 74 HE1 TYR 10 1HE TYR 10 8.226 -4.222 -3.316 75 HE2 TYR 10 2HE TYR 10 10.275 -5.945 0.006 76 HH TYR 10 HH TYR 10 10.598 -3.861 -2.609 77 H ARG 11 H ARG 11 4.149 -7.958 2.222 78 HA ARG 11 HA ARG 11 1.432 -8.115 1.116 79 1HB ARG 11 2HB ARG 11 0.900 -9.226 3.327 80 2HB ARG 11 1HB ARG 11 1.931 -10.130 2.235 81 1HG ARG 11 2HG ARG 11 3.860 -9.680 3.523 82 2HG ARG 11 1HG ARG 11 3.027 -8.440 4.462 83 1HD ARG 11 2HD ARG 11 3.338 -10.571 5.689 84 2HD ARG 11 1HD ARG 11 1.648 -10.095 5.526 85 HE ARG 11 HE ARG 11 1.555 -11.739 3.651 86 1HH1 ARG 11 1HH1 ARG 11 3.962 -12.081 6.187 87 2HH1 ARG 11 2HH1 ARG 11 4.069 -13.807 6.002 88 1HH2 ARG 11 1HH2 ARG 11 1.710 -13.998 3.425 89 2HH2 ARG 11 2HH2 ARG 11 2.801 -14.892 4.456 90 H ILE 12 H ILE 12 -0.241 -7.004 2.045 91 HA ILE 12 HA ILE 12 0.554 -4.595 3.468 92 HB ILE 12 HB ILE 12 -2.235 -5.448 2.636 93 1HG1 ILE 12 2HG1 ILE 12 -0.264 -3.685 1.162 94 2HG1 ILE 12 1HG1 ILE 12 -0.737 -5.312 0.681 95 1HG2 ILE 12 1HG2 ILE 12 -2.202 -3.728 4.358 96 2HG2 ILE 12 2HG2 ILE 12 -2.768 -3.066 2.825 97 3HG2 ILE 12 3HG2 ILE 12 -1.122 -2.742 3.369 98 1HD1 ILE 12 1HD1 ILE 12 -3.044 -4.524 0.377 99 2HD1 ILE 12 2HD1 ILE 12 -1.894 -3.672 -0.654 100 3HD1 ILE 12 3HD1 ILE 12 -2.526 -2.891 0.795 101 H THR 13 H THR 13 0.762 -4.685 5.592 102 HA THR 13 HA THR 13 -0.390 -6.668 7.255 103 HB THR 13 HB THR 13 0.591 -4.021 8.236 104 HG1 THR 13 1HG THR 13 2.496 -5.966 8.097 105 1HG2 THR 13 1HG2 THR 13 1.379 -5.348 10.134 106 2HG2 THR 13 2HG2 THR 13 0.785 -6.815 9.354 107 3HG2 THR 13 3HG2 THR 13 -0.352 -5.574 9.881 108 H GLY 14 H GLY 14 -1.272 -3.420 6.334 109 1HA GLY 14 2HA GLY 14 -3.945 -3.502 6.636 110 2HA GLY 14 1HA GLY 14 -3.388 -3.204 8.279 111 H TYR 15 H TYR 15 -4.376 -1.151 8.276 112 HA TYR 15 HA TYR 15 -3.223 0.820 6.435 113 1HB TYR 15 2HB TYR 15 -5.541 1.136 8.347 114 2HB TYR 15 1HB TYR 15 -5.018 2.310 7.149 115 HD1 TYR 15 1HD TYR 15 -5.417 1.904 4.758 116 HD2 TYR 15 2HD TYR 15 -6.869 -0.771 7.731 117 HE1 TYR 15 1HE TYR 15 -6.946 0.911 3.110 118 HE2 TYR 15 2HE TYR 15 -8.404 -1.773 6.090 119 HH TYR 15 HH TYR 15 -8.148 -1.185 2.746 120 H SER 16 H SER 16 -2.320 2.731 7.222 121 HA SER 16 HA SER 16 -0.855 2.496 9.662 122 1HB SER 16 2HB SER 16 -0.012 3.685 7.643 123 2HB SER 16 1HB SER 16 -1.251 4.915 7.876 124 HG SER 16 HG SER 16 0.863 5.434 8.744 125 HA PRO 17 HA PRO 17 -3.856 4.071 12.527 126 1HB PRO 17 2HB PRO 17 -1.520 5.343 13.850 127 2HB PRO 17 1HB PRO 17 -2.734 4.247 14.519 128 1HG PRO 17 2HG PRO 17 -0.265 3.389 14.000 129 2HG PRO 17 1HG PRO 17 -1.676 2.358 13.687 130 1HD PRO 17 2HD PRO 17 -0.004 3.924 11.763 131 2HD PRO 17 1HD PRO 17 -0.724 2.311 11.580 132 H ALA 18 H ALA 18 -1.583 6.069 10.862 133 HA ALA 18 HA ALA 18 -2.873 8.544 11.718 134 1HB ALA 18 1HB ALA 18 -1.049 9.672 10.558 135 2HB ALA 18 2HB ALA 18 -0.465 8.121 9.951 136 3HB ALA 18 3HB ALA 18 -0.429 8.461 11.681 137 H ILE 19 H ILE 19 -3.933 6.401 9.731 138 HA ILE 19 HA ILE 19 -4.121 7.762 7.225 139 HB ILE 19 HB ILE 19 -4.362 5.270 7.535 140 1HG1 ILE 19 2HG1 ILE 19 -6.656 6.629 6.104 141 2HG1 ILE 19 1HG1 ILE 19 -5.028 6.462 5.460 142 1HG2 ILE 19 1HG2 ILE 19 -5.825 5.245 9.462 143 2HG2 ILE 19 2HG2 ILE 19 -6.596 4.405 8.116 144 3HG2 ILE 19 3HG2 ILE 19 -7.098 6.042 8.538 145 1HD1 ILE 19 1HD1 ILE 19 -6.517 4.801 4.520 146 2HD1 ILE 19 2HD1 ILE 19 -6.897 4.210 6.138 147 3HD1 ILE 19 3HD1 ILE 19 -5.264 4.035 5.497 148 H SER 20 H SER 20 -6.083 8.645 6.297 149 HA SER 20 HA SER 20 -7.462 10.309 8.216 150 1HB SER 20 2HB SER 20 -6.573 11.204 6.059 151 2HB SER 20 1HB SER 20 -7.766 10.230 5.204 152 HG SER 20 HG SER 20 -8.054 12.635 6.350 153 H ASN 21 H ASN 21 -9.643 10.321 8.637 154 HA ASN 21 HA ASN 21 -11.038 7.872 8.497 155 1HB ASN 21 2HB ASN 21 -11.423 9.598 10.234 156 2HB ASN 21 1HB ASN 21 -12.143 10.641 9.010 157 1HD2 ASN 21 1HD2 ASN 21 -12.510 7.755 10.896 158 2HD2 ASN 21 2HD2 ASN 21 -14.206 7.532 10.606 159 H GLY 22 H GLY 22 -12.441 7.065 7.050 160 1HA GLY 22 2HA GLY 22 -13.923 7.048 5.242 161 2HA GLY 22 1HA GLY 22 -13.612 8.758 4.988 162 H TYR 23 H TYR 23 -10.735 8.497 4.955 163 HA TYR 23 HA TYR 23 -10.300 7.874 2.228 164 1HB TYR 23 2HB TYR 23 -8.945 9.474 3.607 165 2HB TYR 23 1HB TYR 23 -8.231 8.090 4.425 166 HD1 TYR 23 1HD TYR 23 -8.650 9.626 1.071 167 HD2 TYR 23 2HD TYR 23 -6.323 7.057 3.537 168 HE1 TYR 23 1HE TYR 23 -6.924 9.523 -0.676 169 HE2 TYR 23 2HE TYR 23 -4.590 6.945 1.795 170 HH TYR 23 HH TYR 23 -4.387 7.262 -0.645 171 H ARG 24 H ARG 24 -9.800 6.143 5.233 172 HA ARG 24 HA ARG 24 -8.554 3.817 4.305 173 1HB ARG 24 2HB ARG 24 -8.933 4.409 6.696 174 2HB ARG 24 1HB ARG 24 -10.650 4.109 6.480 175 1HG ARG 24 2HG ARG 24 -9.958 1.753 5.781 176 2HG ARG 24 1HG ARG 24 -8.391 2.151 6.482 177 1HD ARG 24 2HD ARG 24 -11.063 2.111 7.875 178 2HD ARG 24 1HD ARG 24 -9.703 1.023 8.143 179 HE ARG 24 HE ARG 24 -9.653 3.902 8.816 180 1HH1 ARG 24 1HH1 ARG 24 -8.829 0.566 9.515 181 2HH1 ARG 24 2HH1 ARG 24 -8.002 0.955 11.000 182 1HH2 ARG 24 1HH2 ARG 24 -8.617 4.407 10.782 183 2HH2 ARG 24 2HH2 ARG 24 -7.885 3.136 11.716 184 H GLN 25 H GLN 25 -11.940 4.727 4.479 185 HA GLN 25 HA GLN 25 -13.020 2.290 3.604 186 1HB GLN 25 2HB GLN 25 -14.108 5.099 3.480 187 2HB GLN 25 1HB GLN 25 -15.056 3.641 3.263 188 1HG GLN 25 2HG GLN 25 -14.738 2.979 5.512 189 2HG GLN 25 1HG GLN 25 -13.496 4.203 5.759 190 1HE2 GLN 25 1HE2 GLN 25 -16.508 4.761 4.067 191 2HE2 GLN 25 2HE2 GLN 25 -17.179 5.847 5.239 192 H ARG 26 H ARG 26 -11.969 5.198 1.934 193 HA ARG 26 HA ARG 26 -12.845 4.426 -0.645 194 1HB ARG 26 2HB ARG 26 -12.205 6.744 0.014 195 2HB ARG 26 1HB ARG 26 -10.529 6.229 0.076 196 1HG ARG 26 2HG ARG 26 -10.491 5.807 -2.273 197 2HG ARG 26 1HG ARG 26 -12.233 6.059 -2.402 198 1HD ARG 26 2HD ARG 26 -10.202 8.146 -1.607 199 2HD ARG 26 1HD ARG 26 -10.969 8.009 -3.190 200 HE ARG 26 HE ARG 26 -13.126 8.283 -1.788 201 1HH1 ARG 26 1HH1 ARG 26 -10.074 9.918 -1.209 202 2HH1 ARG 26 2HH1 ARG 26 -10.817 11.271 -0.412 203 1HH2 ARG 26 1HH2 ARG 26 -14.090 10.041 -0.761 204 2HH2 ARG 26 2HH2 ARG 26 -13.105 11.333 -0.138 205 H LEU 27 H LEU 27 -9.850 3.969 1.144 206 HA LEU 27 HA LEU 27 -8.377 2.787 -0.966 207 1HB LEU 27 2HB LEU 27 -8.098 2.545 2.025 208 2HB LEU 27 1HB LEU 27 -6.962 1.845 0.893 209 HG LEU 27 HG LEU 27 -7.543 4.782 1.254 210 1HD1 LEU 27 1HD1 LEU 27 -5.269 4.907 2.059 211 2HD1 LEU 27 2HD1 LEU 27 -5.050 3.178 1.791 212 3HD1 LEU 27 3HD1 LEU 27 -6.183 3.744 3.019 213 1HD2 LEU 27 1HD2 LEU 27 -5.707 3.373 -0.678 214 2HD2 LEU 27 2HD2 LEU 27 -5.695 5.107 -0.356 215 3HD2 LEU 27 3HD2 LEU 27 -7.119 4.357 -1.076 216 H PHE 28 H PHE 28 -10.317 1.420 1.654 217 HA PHE 28 HA PHE 28 -10.055 -1.285 1.024 218 1HB PHE 28 2HB PHE 28 -11.190 -0.304 3.039 219 2HB PHE 28 1HB PHE 28 -12.568 0.071 2.018 220 HD1 PHE 28 1HD PHE 28 -10.504 -2.724 3.310 221 HD2 PHE 28 2HD PHE 28 -14.205 -1.539 1.567 222 HE1 PHE 28 1HE PHE 28 -11.408 -4.975 3.712 223 HE2 PHE 28 2HE PHE 28 -15.115 -3.792 1.964 224 HZ PHE 28 HZ PHE 28 -13.713 -5.511 3.036 225 H SER 29 H SER 29 -12.383 1.102 -0.124 226 HA SER 29 HA SER 29 -13.869 -0.553 -1.823 227 1HB SER 29 2HB SER 29 -14.413 1.799 -1.049 228 2HB SER 29 1HB SER 29 -13.301 2.378 -2.283 229 HG SER 29 HG SER 29 -14.943 0.642 -3.433 230 H MET 30 H MET 30 -10.837 1.121 -2.274 231 HA MET 30 HA MET 30 -10.725 0.731 -5.112 232 1HB MET 30 2HB MET 30 -8.646 1.524 -3.079 233 2HB MET 30 1HB MET 30 -8.271 1.327 -4.783 234 1HG MET 30 2HG MET 30 -9.912 3.052 -5.344 235 2HG MET 30 1HG MET 30 -10.269 3.256 -3.629 236 1HE MET 30 1HE MET 30 -7.587 3.694 -6.469 237 2HE MET 30 2HE MET 30 -6.765 2.618 -5.337 238 3HE MET 30 3HE MET 30 -6.192 4.269 -5.552 239 H GLY 31 H GLY 31 -9.982 -1.183 -2.358 240 1HA GLY 31 2HA GLY 31 -9.816 -3.578 -2.704 241 2HA GLY 31 1HA GLY 31 -8.910 -3.253 -4.172 242 H LEU 32 H LEU 32 -8.120 -1.259 -1.523 243 HA LEU 32 HA LEU 32 -5.635 -2.782 -1.119 244 1HB LEU 32 2HB LEU 32 -6.273 0.095 -0.449 245 2HB LEU 32 1HB LEU 32 -4.718 -0.685 -0.227 246 HG LEU 32 HG LEU 32 -6.051 -0.239 -2.900 247 1HD1 LEU 32 1HD1 LEU 32 -4.311 1.455 -3.240 248 2HD1 LEU 32 2HD1 LEU 32 -3.771 1.220 -1.577 249 3HD1 LEU 32 3HD1 LEU 32 -5.379 1.868 -1.897 250 1HD2 LEU 32 1HD2 LEU 32 -3.869 -0.890 -3.811 251 2HD2 LEU 32 2HD2 LEU 32 -4.602 -2.194 -2.875 252 3HD2 LEU 32 3HD2 LEU 32 -3.298 -1.235 -2.178 253 H LEU 33 H LEU 33 -6.149 -4.235 0.461 254 HA LEU 33 HA LEU 33 -6.982 -3.141 3.045 255 1HB LEU 33 2HB LEU 33 -8.501 -4.992 3.399 256 2HB LEU 33 1HB LEU 33 -8.965 -4.113 1.961 257 HG LEU 33 HG LEU 33 -7.297 -6.598 1.737 258 1HD1 LEU 33 1HD1 LEU 33 -9.324 -7.921 1.539 259 2HD1 LEU 33 2HD1 LEU 33 -10.307 -6.501 1.903 260 3HD1 LEU 33 3HD1 LEU 33 -9.235 -7.170 3.133 261 1HD2 LEU 33 1HD2 LEU 33 -8.364 -6.741 -0.444 262 2HD2 LEU 33 2HD2 LEU 33 -7.593 -5.167 -0.237 263 3HD2 LEU 33 3HD2 LEU 33 -9.343 -5.321 -0.076 264 HA PRO 34 HA PRO 34 -3.829 -5.737 4.837 265 1HB PRO 34 2HB PRO 34 -5.236 -6.899 6.917 266 2HB PRO 34 1HB PRO 34 -4.482 -5.303 6.980 267 1HG PRO 34 2HG PRO 34 -7.332 -6.038 6.482 268 2HG PRO 34 1HG PRO 34 -6.665 -4.683 7.411 269 1HD PRO 34 2HD PRO 34 -7.663 -4.351 4.938 270 2HD PRO 34 1HD PRO 34 -6.270 -3.415 5.519 271 H GLY 35 H GLY 35 -3.108 -7.696 4.224 272 1HA GLY 35 2HA GLY 35 -3.328 -10.077 4.078 273 2HA GLY 35 1HA GLY 35 -5.064 -9.871 3.887 274 H ALA 36 H ALA 36 -3.408 -7.613 2.066 275 HA ALA 36 HA ALA 36 -3.613 -9.279 -0.337 276 1HB ALA 36 1HB ALA 36 -3.793 -6.277 -0.100 277 2HB ALA 36 2HB ALA 36 -5.158 -7.374 -0.308 278 3HB ALA 36 3HB ALA 36 -3.955 -7.214 -1.587 279 H ALA 37 H ALA 37 -1.777 -9.753 -1.289 280 HA ALA 37 HA ALA 37 0.638 -8.280 -0.560 281 1HB ALA 37 1HB ALA 37 1.865 -10.174 -1.490 282 2HB ALA 37 2HB ALA 37 0.341 -10.932 -1.953 283 3HB ALA 37 3HB ALA 37 0.720 -10.681 -0.249 284 H LEU 38 H LEU 38 1.876 -7.225 -1.964 285 HA LEU 38 HA LEU 38 0.969 -7.032 -4.773 286 1HB LEU 38 2HB LEU 38 2.317 -4.882 -3.135 287 2HB LEU 38 1HB LEU 38 1.696 -4.724 -4.766 288 HG LEU 38 HG LEU 38 0.015 -5.174 -2.295 289 1HD1 LEU 38 1HD1 LEU 38 1.036 -2.947 -2.378 290 2HD1 LEU 38 2HD1 LEU 38 -0.711 -2.882 -2.607 291 3HD1 LEU 38 3HD1 LEU 38 0.367 -2.708 -3.992 292 1HD2 LEU 38 1HD2 LEU 38 -1.872 -4.681 -3.802 293 2HD2 LEU 38 2HD2 LEU 38 -1.020 -6.160 -4.242 294 3HD2 LEU 38 3HD2 LEU 38 -0.756 -4.683 -5.169 295 H ARG 39 H ARG 39 2.538 -7.200 -6.324 296 HA ARG 39 HA ARG 39 5.256 -7.724 -5.394 297 1HB ARG 39 2HB ARG 39 5.666 -8.595 -7.640 298 2HB ARG 39 1HB ARG 39 4.330 -9.425 -6.866 299 1HG ARG 39 2HG ARG 39 3.636 -7.122 -8.568 300 2HG ARG 39 1HG ARG 39 4.288 -8.541 -9.384 301 1HD ARG 39 2HD ARG 39 1.937 -8.538 -7.491 302 2HD ARG 39 1HD ARG 39 1.824 -8.579 -9.251 303 HE ARG 39 HE ARG 39 3.034 -10.722 -7.608 304 1HH1 ARG 39 1HH1 ARG 39 1.141 -9.636 -10.368 305 2HH1 ARG 39 2HH1 ARG 39 0.955 -11.239 -11.016 306 1HH2 ARG 39 1HH2 ARG 39 2.766 -12.831 -8.469 307 2HH2 ARG 39 2HH2 ARG 39 1.871 -13.044 -9.949 308 H VAL 40 H VAL 40 7.033 -6.669 -6.501 309 HA VAL 40 HA VAL 40 6.286 -3.910 -7.121 310 HB VAL 40 HB VAL 40 7.943 -4.293 -5.319 311 1HG1 VAL 40 1HG1 VAL 40 9.084 -6.234 -6.204 312 2HG1 VAL 40 2HG1 VAL 40 10.227 -4.930 -5.880 313 3HG1 VAL 40 3HG1 VAL 40 9.723 -5.273 -7.536 314 1HG2 VAL 40 1HG2 VAL 40 8.932 -2.793 -7.737 315 2HG2 VAL 40 2HG2 VAL 40 9.565 -2.604 -6.101 316 3HG2 VAL 40 3HG2 VAL 40 7.893 -2.170 -6.456 317 H VAL 41 H VAL 41 6.384 -3.103 -9.055 318 HA VAL 41 HA VAL 41 7.516 -4.649 -11.245 319 HB VAL 41 HB VAL 41 6.021 -2.013 -11.233 320 1HG1 VAL 41 1HG1 VAL 41 7.499 -2.070 -13.135 321 2HG1 VAL 41 2HG1 VAL 41 5.843 -2.337 -13.679 322 3HG1 VAL 41 3HG1 VAL 41 6.959 -3.697 -13.553 323 1HG2 VAL 41 1HG2 VAL 41 4.186 -3.325 -12.212 324 2HG2 VAL 41 2HG2 VAL 41 4.618 -3.889 -10.598 325 3HG2 VAL 41 3HG2 VAL 41 5.145 -4.792 -12.020 326 H ARG 42 H ARG 42 7.840 -1.396 -9.848 327 HA ARG 42 HA ARG 42 10.693 -1.406 -10.260 328 1HB ARG 42 2HB ARG 42 8.945 0.412 -11.907 329 2HB ARG 42 1HB ARG 42 10.583 0.866 -11.474 330 1HG ARG 42 2HG ARG 42 11.226 -1.409 -12.525 331 2HG ARG 42 1HG ARG 42 9.641 -1.300 -13.296 332 1HD ARG 42 2HD ARG 42 11.303 -0.366 -14.771 333 2HD ARG 42 1HD ARG 42 10.268 0.928 -14.169 334 HE ARG 42 HE ARG 42 12.567 0.623 -12.531 335 1HH1 ARG 42 1HH1 ARG 42 11.520 1.944 -15.601 336 2HH1 ARG 42 2HH1 ARG 42 12.782 3.140 -15.658 337 1HH2 ARG 42 1HH2 ARG 42 14.239 2.186 -12.607 338 2HH2 ARG 42 2HH2 ARG 42 14.339 3.254 -13.976 339 H ILE 43 H ILE 43 11.674 -0.186 -8.747 340 HA ILE 43 HA ILE 43 10.033 1.614 -7.122 341 HB ILE 43 HB ILE 43 12.925 0.828 -6.657 342 1HG1 ILE 43 2HG1 ILE 43 11.791 -0.514 -4.714 343 2HG1 ILE 43 1HG1 ILE 43 10.376 -0.478 -5.759 344 1HG2 ILE 43 1HG2 ILE 43 12.523 1.646 -4.374 345 2HG2 ILE 43 2HG2 ILE 43 10.893 2.128 -4.843 346 3HG2 ILE 43 3HG2 ILE 43 12.290 2.908 -5.582 347 1HD1 ILE 43 1HD1 ILE 43 11.637 -2.534 -6.038 348 2HD1 ILE 43 2HD1 ILE 43 13.074 -1.605 -6.467 349 3HD1 ILE 43 3HD1 ILE 43 11.660 -1.577 -7.522 350 H ALA 44 H ALA 44 10.172 3.776 -7.357 351 HA ALA 44 HA ALA 44 11.814 4.920 -9.371 352 1HB ALA 44 1HB ALA 44 10.298 6.321 -7.178 353 2HB ALA 44 2HB ALA 44 9.637 5.862 -8.747 354 3HB ALA 44 3HB ALA 44 10.933 7.052 -8.654 355 HA PRO 45 HA PRO 45 15.571 5.169 -7.079 356 1HB PRO 45 2HB PRO 45 16.354 7.297 -8.956 357 2HB PRO 45 1HB PRO 45 17.076 5.707 -8.697 358 1HG PRO 45 2HG PRO 45 15.681 6.277 -10.916 359 2HG PRO 45 1HG PRO 45 15.634 4.667 -10.172 360 1HD PRO 45 2HD PRO 45 13.630 6.890 -10.020 361 2HD PRO 45 1HD PRO 45 13.363 5.143 -10.217 362 H LEU 46 H LEU 46 13.254 7.484 -7.026 363 HA LEU 46 HA LEU 46 14.873 9.462 -5.590 364 1HB LEU 46 2HB LEU 46 12.024 9.602 -6.593 365 2HB LEU 46 1HB LEU 46 12.820 10.878 -5.700 366 HG LEU 46 HG LEU 46 12.879 11.559 -7.939 367 1HD1 LEU 46 1HD1 LEU 46 15.545 10.286 -7.371 368 2HD1 LEU 46 2HD1 LEU 46 15.002 11.868 -6.812 369 3HD1 LEU 46 3HD1 LEU 46 15.239 11.575 -8.535 370 1HD2 LEU 46 1HD2 LEU 46 13.676 10.168 -9.792 371 2HD2 LEU 46 2HD2 LEU 46 12.258 9.475 -9.005 372 3HD2 LEU 46 3HD2 LEU 46 13.860 8.808 -8.685 373 H GLY 47 H GLY 47 12.616 6.930 -5.123 374 1HA GLY 47 2HA GLY 47 11.943 6.079 -3.012 375 2HA GLY 47 1HA GLY 47 12.276 7.651 -2.298 376 H ASP 48 H ASP 48 10.927 8.813 -4.729 377 HA ASP 48 HA ASP 48 8.257 9.045 -3.860 378 1HB ASP 48 2HB ASP 48 9.908 10.065 -6.028 379 2HB ASP 48 1HB ASP 48 8.280 9.678 -6.584 380 HA PRO 49 HA PRO 49 5.449 6.127 -5.001 381 1HB PRO 49 2HB PRO 49 4.948 6.576 -7.812 382 2HB PRO 49 1HB PRO 49 3.886 6.854 -6.433 383 1HG PRO 49 2HG PRO 49 5.653 8.743 -7.845 384 2HG PRO 49 1HG PRO 49 4.223 9.068 -6.847 385 1HD PRO 49 2HD PRO 49 6.674 9.670 -5.974 386 2HD PRO 49 1HD PRO 49 5.448 9.013 -4.865 387 H ILE 50 H ILE 50 5.163 4.112 -5.791 388 HA ILE 50 HA ILE 50 7.465 3.032 -7.266 389 HB ILE 50 HB ILE 50 6.042 1.807 -4.890 390 1HG1 ILE 50 2HG1 ILE 50 8.873 2.852 -5.140 391 2HG1 ILE 50 1HG1 ILE 50 7.553 3.680 -4.315 392 1HG2 ILE 50 1HG2 ILE 50 7.745 0.043 -5.014 393 2HG2 ILE 50 2HG2 ILE 50 8.367 0.758 -6.501 394 3HG2 ILE 50 3HG2 ILE 50 6.735 0.089 -6.458 395 1HD1 ILE 50 1HD1 ILE 50 7.403 1.813 -2.732 396 2HD1 ILE 50 2HD1 ILE 50 8.994 2.569 -2.727 397 3HD1 ILE 50 3HD1 ILE 50 8.755 1.025 -3.546 398 H GLN 51 H GLN 51 6.990 1.685 -8.902 399 HA GLN 51 HA GLN 51 4.236 1.251 -9.599 400 1HB GLN 51 2HB GLN 51 6.775 0.243 -10.901 401 2HB GLN 51 1HB GLN 51 5.168 0.179 -11.595 402 1HG GLN 51 2HG GLN 51 5.089 2.643 -11.569 403 2HG GLN 51 1HG GLN 51 6.743 2.654 -10.964 404 1HE2 GLN 51 1HE2 GLN 51 5.678 3.788 -13.410 405 2HE2 GLN 51 2HE2 GLN 51 6.555 3.060 -14.709 406 H VAL 52 H VAL 52 3.118 -0.325 -8.679 407 HA VAL 52 HA VAL 52 4.496 -2.876 -8.112 408 HB VAL 52 HB VAL 52 2.932 -3.247 -6.263 409 1HG1 VAL 52 1HG1 VAL 52 3.839 -1.574 -4.696 410 2HG1 VAL 52 2HG1 VAL 52 4.462 -0.660 -6.069 411 3HG1 VAL 52 3HG1 VAL 52 5.075 -2.280 -5.736 412 1HG2 VAL 52 1HG2 VAL 52 1.500 -1.450 -5.432 413 2HG2 VAL 52 2HG2 VAL 52 1.058 -1.900 -7.079 414 3HG2 VAL 52 3HG2 VAL 52 1.984 -0.428 -6.785 415 H GLU 53 H GLU 53 2.620 -4.642 -7.788 416 HA GLU 53 HA GLU 53 0.632 -4.298 -9.914 417 1HB GLU 53 2HB GLU 53 2.905 -5.478 -10.598 418 2HB GLU 53 1HB GLU 53 2.187 -6.858 -9.784 419 1HG GLU 53 2HG GLU 53 0.911 -5.364 -12.064 420 2HG GLU 53 1HG GLU 53 1.849 -6.846 -12.233 421 H THR 54 H THR 54 -1.245 -5.514 -9.564 422 HA THR 54 HA THR 54 -1.406 -6.585 -6.819 423 HB THR 54 HB THR 54 -3.632 -5.226 -8.337 424 HG1 THR 54 1HG THR 54 -1.454 -4.162 -7.151 425 1HG2 THR 54 1HG2 THR 54 -4.393 -6.687 -6.534 426 2HG2 THR 54 2HG2 THR 54 -4.637 -4.996 -6.093 427 3HG2 THR 54 3HG2 THR 54 -3.287 -5.902 -5.410 428 H ARG 55 H ARG 55 -2.261 -7.096 -10.176 429 HA ARG 55 HA ARG 55 -3.061 -9.757 -9.905 430 1HB ARG 55 2HB ARG 55 -4.932 -8.964 -8.599 431 2HB ARG 55 1HB ARG 55 -5.333 -7.765 -9.817 432 1HG ARG 55 2HG ARG 55 -6.886 -9.622 -9.888 433 2HG ARG 55 1HG ARG 55 -5.941 -9.544 -11.375 434 1HD ARG 55 2HD ARG 55 -4.550 -11.359 -10.659 435 2HD ARG 55 1HD ARG 55 -5.286 -11.354 -9.056 436 HE ARG 55 HE ARG 55 -7.374 -12.065 -10.162 437 1HH1 ARG 55 1HH1 ARG 55 -4.336 -12.533 -11.834 438 2HH1 ARG 55 2HH1 ARG 55 -4.902 -13.880 -12.769 439 1HH2 ARG 55 1HH2 ARG 55 -8.134 -13.840 -11.373 440 2HH2 ARG 55 2HH2 ARG 55 -7.077 -14.635 -12.507 441 H GLN 56 H GLN 56 -3.493 -6.712 -11.636 442 HA GLN 56 HA GLN 56 -3.737 -8.223 -14.143 443 1HB GLN 56 2HB GLN 56 -5.449 -5.902 -13.254 444 2HB GLN 56 1HB GLN 56 -5.422 -6.530 -14.896 445 1HG GLN 56 2HG GLN 56 -6.083 -8.245 -12.525 446 2HG GLN 56 1HG GLN 56 -7.303 -7.315 -13.394 447 1HE2 GLN 56 1HE2 GLN 56 -7.878 -7.914 -15.462 448 2HE2 GLN 56 2HE2 GLN 56 -7.469 -9.465 -16.128 449 H THR 57 H THR 57 -3.053 -5.030 -12.698 450 HA THR 57 HA THR 57 -1.217 -4.493 -14.893 451 HB THR 57 HB THR 57 -3.433 -3.612 -15.635 452 HG1 THR 57 1HG THR 57 -2.181 -1.217 -15.360 453 1HG2 THR 57 1HG2 THR 57 -4.377 -2.999 -13.491 454 2HG2 THR 57 2HG2 THR 57 -4.317 -1.585 -14.543 455 3HG2 THR 57 3HG2 THR 57 -3.125 -1.780 -13.257 456 H SER 58 H SER 58 0.095 -2.554 -14.513 457 HA SER 58 HA SER 58 1.121 -2.566 -11.870 458 1HB SER 58 2HB SER 58 1.731 -0.637 -14.121 459 2HB SER 58 1HB SER 58 2.733 -0.940 -12.703 460 HG SER 58 HG SER 58 2.111 -2.742 -14.809 461 H LEU 59 H LEU 59 1.140 -0.984 -10.318 462 HA LEU 59 HA LEU 59 -0.677 1.305 -10.669 463 1HB LEU 59 2HB LEU 59 -1.846 -0.388 -9.374 464 2HB LEU 59 1HB LEU 59 -0.483 -0.539 -8.284 465 HG LEU 59 HG LEU 59 -0.875 1.832 -7.577 466 1HD1 LEU 59 1HD1 LEU 59 -3.058 2.823 -8.070 467 2HD1 LEU 59 2HD1 LEU 59 -3.403 1.498 -9.183 468 3HD1 LEU 59 3HD1 LEU 59 -2.084 2.617 -9.524 469 1HD2 LEU 59 1HD2 LEU 59 -2.762 1.302 -6.145 470 2HD2 LEU 59 2HD2 LEU 59 -1.674 -0.081 -6.272 471 3HD2 LEU 59 3HD2 LEU 59 -3.186 -0.062 -7.179 472 H ALA 60 H ALA 60 -0.043 3.190 -9.642 473 HA ALA 60 HA ALA 60 2.583 3.119 -8.294 474 1HB ALA 60 1HB ALA 60 2.804 4.060 -10.548 475 2HB ALA 60 2HB ALA 60 3.115 5.272 -9.306 476 3HB ALA 60 3HB ALA 60 1.575 5.266 -10.166 477 H LEU 61 H LEU 61 2.493 3.829 -6.281 478 HA LEU 61 HA LEU 61 0.403 5.769 -5.556 479 1HB LEU 61 2HB LEU 61 0.382 4.697 -3.306 480 2HB LEU 61 1HB LEU 61 -0.223 3.675 -4.593 481 HG LEU 61 HG LEU 61 2.338 2.872 -4.545 482 1HD1 LEU 61 1HD1 LEU 61 3.099 2.647 -2.251 483 2HD1 LEU 61 2HD1 LEU 61 1.718 3.590 -1.690 484 3HD1 LEU 61 3HD1 LEU 61 2.948 4.345 -2.703 485 1HD2 LEU 61 1HD2 LEU 61 0.378 1.432 -4.429 486 2HD2 LEU 61 2HD2 LEU 61 0.148 1.866 -2.736 487 3HD2 LEU 61 3HD2 LEU 61 1.579 0.960 -3.227 488 H ARG 62 H ARG 62 0.995 7.440 -4.221 489 HA ARG 62 HA ARG 62 3.688 8.281 -4.445 490 1HB ARG 62 2HB ARG 62 1.221 9.379 -3.200 491 2HB ARG 62 1HB ARG 62 2.761 10.057 -2.701 492 1HG ARG 62 2HG ARG 62 1.954 9.851 -5.583 493 2HG ARG 62 1HG ARG 62 1.542 11.233 -4.570 494 1HD ARG 62 2HD ARG 62 3.930 11.588 -4.107 495 2HD ARG 62 1HD ARG 62 4.324 10.233 -5.163 496 HE ARG 62 HE ARG 62 2.826 11.906 -6.720 497 1HH1 ARG 62 1HH1 ARG 62 5.847 12.190 -4.936 498 2HH1 ARG 62 2HH1 ARG 62 6.435 13.483 -5.936 499 1HH2 ARG 62 1HH2 ARG 62 3.634 13.585 -8.020 500 2HH2 ARG 62 2HH2 ARG 62 5.206 14.258 -7.679 501 H ARG 63 H ARG 63 4.890 9.187 -2.561 502 HA ARG 63 HA ARG 63 5.604 7.193 -0.731 503 1HB ARG 63 2HB ARG 63 6.948 8.943 0.350 504 2HB ARG 63 1HB ARG 63 7.116 8.982 -1.399 505 1HG ARG 63 2HG ARG 63 5.358 10.808 -1.382 506 2HG ARG 63 1HG ARG 63 5.608 10.877 0.363 507 1HD ARG 63 2HD ARG 63 7.691 11.319 -1.771 508 2HD ARG 63 1HD ARG 63 6.956 12.554 -0.751 509 HE ARG 63 HE ARG 63 8.573 10.378 0.408 510 1HH1 ARG 63 1HH1 ARG 63 7.854 13.773 -0.003 511 2HH1 ARG 63 2HH1 ARG 63 9.068 14.305 1.118 512 1HH2 ARG 63 1HH2 ARG 63 10.192 11.058 1.872 513 2HH2 ARG 63 2HH2 ARG 63 10.415 12.760 2.172 514 H LYS 64 H LYS 64 3.363 9.869 -0.522 515 HA LYS 64 HA LYS 64 2.731 9.687 2.216 516 1HB LYS 64 2HB LYS 64 2.036 11.619 0.931 517 2HB LYS 64 1HB LYS 64 1.050 10.610 -0.120 518 1HG LYS 64 2HG LYS 64 -0.310 10.000 1.893 519 2HG LYS 64 1HG LYS 64 0.596 11.222 2.785 520 1HD LYS 64 2HD LYS 64 -0.223 12.961 1.371 521 2HD LYS 64 1HD LYS 64 -0.960 11.793 0.270 522 1HE LYS 64 2HE LYS 64 -2.443 11.057 2.090 523 2HE LYS 64 1HE LYS 64 -1.735 12.281 3.141 524 1HZ LYS 64 1HZ LYS 64 -3.174 12.839 0.603 525 2HZ LYS 64 2HZ LYS 64 -2.542 13.991 1.673 526 3HZ LYS 64 3HZ LYS 64 -3.831 13.003 2.160 527 H ASP 65 H ASP 65 1.156 8.237 -0.642 528 HA ASP 65 HA ASP 65 -0.817 6.783 0.657 529 1HB ASP 65 2HB ASP 65 0.719 6.060 -1.853 530 2HB ASP 65 1HB ASP 65 -0.772 5.294 -1.332 531 H LEU 66 H LEU 66 2.524 5.969 -0.071 532 HA LEU 66 HA LEU 66 2.610 3.369 0.923 533 1HB LEU 66 2HB LEU 66 4.429 4.365 -0.352 534 2HB LEU 66 1HB LEU 66 4.737 5.513 0.934 535 HG LEU 66 HG LEU 66 5.363 3.605 2.413 536 1HD1 LEU 66 1HD1 LEU 66 5.211 2.005 -0.139 537 2HD1 LEU 66 2HD1 LEU 66 4.122 1.851 1.239 538 3HD1 LEU 66 3HD1 LEU 66 5.828 1.440 1.414 539 1HD2 LEU 66 1HD2 LEU 66 6.935 3.882 -0.144 540 2HD2 LEU 66 2HD2 LEU 66 7.544 3.235 1.379 541 3HD2 LEU 66 3HD2 LEU 66 7.055 4.925 1.274 542 H ALA 67 H ALA 67 2.989 6.467 2.595 543 HA ALA 67 HA ALA 67 3.698 5.280 5.100 544 1HB ALA 67 1HB ALA 67 3.542 7.531 5.995 545 2HB ALA 67 2HB ALA 67 2.730 8.080 4.528 546 3HB ALA 67 3HB ALA 67 4.409 7.543 4.460 547 H LEU 68 H LEU 68 0.756 5.648 3.476 548 HA LEU 68 HA LEU 68 -0.813 5.667 5.946 549 1HB LEU 68 2HB LEU 68 -1.664 5.818 3.054 550 2HB LEU 68 1HB LEU 68 -2.763 5.860 4.420 551 HG LEU 68 HG LEU 68 -0.622 7.912 3.856 552 1HD1 LEU 68 1HD1 LEU 68 -2.434 7.969 2.213 553 2HD1 LEU 68 2HD1 LEU 68 -2.452 9.388 3.259 554 3HD1 LEU 68 3HD1 LEU 68 -3.612 8.086 3.523 555 1HD2 LEU 68 1HD2 LEU 68 -1.093 7.674 6.235 556 2HD2 LEU 68 2HD2 LEU 68 -2.819 7.851 5.920 557 3HD2 LEU 68 3HD2 LEU 68 -1.726 9.202 5.619 558 H LEU 69 H LEU 69 0.467 3.501 3.660 559 HA LEU 69 HA LEU 69 -1.376 1.395 4.581 560 1HB LEU 69 2HB LEU 69 0.177 1.563 2.001 561 2HB LEU 69 1HB LEU 69 -0.736 0.160 2.517 562 HG LEU 69 HG LEU 69 -1.924 2.878 1.952 563 1HD1 LEU 69 1HD1 LEU 69 -1.072 1.802 -0.070 564 2HD1 LEU 69 2HD1 LEU 69 -2.835 1.849 -0.055 565 3HD1 LEU 69 3HD1 LEU 69 -1.989 0.346 0.317 566 1HD2 LEU 69 1HD2 LEU 69 -4.061 1.739 2.120 567 2HD2 LEU 69 2HD2 LEU 69 -3.157 1.567 3.624 568 3HD2 LEU 69 3HD2 LEU 69 -3.246 0.219 2.490 569 H THR 70 H THR 70 -0.476 -0.004 5.952 570 HA THR 70 HA THR 70 2.373 0.016 6.351 571 HB THR 70 HB THR 70 0.393 -1.880 7.574 572 HG1 THR 70 1HG THR 70 0.988 0.827 8.110 573 1HG2 THR 70 1HG2 THR 70 3.061 -0.829 8.523 574 2HG2 THR 70 2HG2 THR 70 2.746 -2.455 7.917 575 3HG2 THR 70 3HG2 THR 70 2.011 -1.921 9.428 576 H LEU 71 H LEU 71 3.694 -1.053 5.127 577 HA LEU 71 HA LEU 71 2.793 -3.560 3.867 578 1HB LEU 71 2HB LEU 71 4.704 -1.470 2.807 579 2HB LEU 71 1HB LEU 71 4.423 -3.025 2.053 580 HG LEU 71 HG LEU 71 2.305 -0.908 2.430 581 1HD1 LEU 71 1HD1 LEU 71 3.856 -1.704 -0.030 582 2HD1 LEU 71 2HD1 LEU 71 4.020 -0.185 0.851 583 3HD1 LEU 71 3HD1 LEU 71 2.511 -0.563 0.019 584 1HD2 LEU 71 1HD2 LEU 71 2.308 -3.493 0.881 585 2HD2 LEU 71 2HD2 LEU 71 1.004 -2.306 0.909 586 3HD2 LEU 71 3HD2 LEU 71 1.430 -3.184 2.378 587 H VAL 72 H VAL 72 3.907 -5.307 4.407 588 HA VAL 72 HA VAL 72 6.741 -4.996 5.164 589 HB VAL 72 HB VAL 72 6.499 -6.867 6.755 590 1HG1 VAL 72 1HG1 VAL 72 5.374 -5.622 8.538 591 2HG1 VAL 72 2HG1 VAL 72 4.701 -4.521 7.336 592 3HG1 VAL 72 3HG1 VAL 72 6.445 -4.589 7.590 593 1HG2 VAL 72 1HG2 VAL 72 4.269 -7.546 7.521 594 2HG2 VAL 72 2HG2 VAL 72 4.548 -7.960 5.831 595 3HG2 VAL 72 3HG2 VAL 72 3.547 -6.568 6.241 596 HA PRO 73 HA PRO 73 7.392 -8.072 2.038 597 1HB PRO 73 2HB PRO 73 9.582 -9.358 3.053 598 2HB PRO 73 1HB PRO 73 9.662 -7.791 2.239 599 1HG PRO 73 2HG PRO 73 9.641 -8.413 5.165 600 2HG PRO 73 1HG PRO 73 10.607 -7.217 4.278 601 1HD PRO 73 2HD PRO 73 8.411 -6.544 5.699 602 2HD PRO 73 1HD PRO 73 8.879 -5.689 4.216 603 H LEU 74 H LEU 74 7.381 -10.413 1.720 604 HA LEU 74 HA LEU 74 5.545 -11.750 3.370 605 1HB LEU 74 2HB LEU 74 7.507 -12.906 1.383 606 2HB LEU 74 1HB LEU 74 6.109 -13.729 2.038 607 HG LEU 74 HG LEU 74 6.027 -11.276 0.283 608 1HD1 LEU 74 1HD1 LEU 74 5.133 -12.761 -1.419 609 2HD1 LEU 74 2HD1 LEU 74 5.297 -14.138 -0.330 610 3HD1 LEU 74 3HD1 LEU 74 6.735 -13.295 -0.912 611 1HD2 LEU 74 1HD2 LEU 74 4.158 -11.325 1.844 612 2HD2 LEU 74 2HD2 LEU 74 3.790 -12.985 1.379 613 3HD2 LEU 74 3HD2 LEU 74 3.607 -11.679 0.208 614 H ASP 75 H ASP 75 9.042 -11.917 3.067 615 HA ASP 75 HA ASP 75 9.299 -12.630 5.842 616 1HB ASP 75 2HB ASP 75 9.049 -14.863 4.902 617 2HB ASP 75 1HB ASP 75 10.276 -14.520 3.687 Start of MODEL 18 1 HA MET 1 HA MET 1 13.698 -2.616 -24.315 2 1HB MET 1 2HB MET 1 12.513 -0.736 -25.301 3 2HB MET 1 1HB MET 1 11.109 -1.048 -24.290 4 1HG MET 1 2HG MET 1 12.386 0.847 -23.471 5 2HG MET 1 1HG MET 1 12.388 -0.478 -22.307 6 1HE MET 1 1HE MET 1 14.409 1.998 -22.166 7 2HE MET 1 2HE MET 1 15.898 1.149 -21.754 8 3HE MET 1 3HE MET 1 14.377 0.672 -21.005 9 H SER 2 H SER 2 14.121 -3.835 -22.580 10 HA SER 2 HA SER 2 11.974 -4.381 -20.669 11 1HB SER 2 2HB SER 2 14.761 -5.557 -20.848 12 2HB SER 2 1HB SER 2 13.475 -6.095 -19.763 13 HG SER 2 HG SER 2 13.756 -7.300 -21.812 14 H ALA 3 H ALA 3 11.729 -2.867 -19.194 15 HA ALA 3 HA ALA 3 14.081 -2.018 -17.664 16 1HB ALA 3 1HB ALA 3 13.353 0.300 -17.638 17 2HB ALA 3 2HB ALA 3 11.983 -0.096 -18.677 18 3HB ALA 3 3HB ALA 3 13.629 -0.238 -19.293 19 H LEU 4 H LEU 4 13.331 -3.491 -16.107 20 HA LEU 4 HA LEU 4 11.341 -2.370 -14.338 21 1HB LEU 4 2HB LEU 4 10.039 -4.375 -14.128 22 2HB LEU 4 1HB LEU 4 10.048 -3.895 -15.810 23 HG LEU 4 HG LEU 4 11.865 -6.047 -14.725 24 1HD1 LEU 4 1HD1 LEU 4 9.153 -6.371 -16.001 25 2HD1 LEU 4 2HD1 LEU 4 9.540 -6.668 -14.306 26 3HD1 LEU 4 3HD1 LEU 4 10.262 -7.671 -15.564 27 1HD2 LEU 4 1HD2 LEU 4 12.542 -5.095 -16.864 28 2HD2 LEU 4 2HD2 LEU 4 10.933 -5.391 -17.521 29 3HD2 LEU 4 3HD2 LEU 4 11.966 -6.747 -17.069 30 H GLN 5 H GLN 5 11.410 -3.434 -12.210 31 HA GLN 5 HA GLN 5 13.839 -4.978 -11.702 32 1HB GLN 5 2HB GLN 5 14.268 -2.475 -11.446 33 2HB GLN 5 1HB GLN 5 13.163 -2.524 -10.080 34 1HG GLN 5 2HG GLN 5 15.292 -2.682 -9.140 35 2HG GLN 5 1HG GLN 5 14.666 -4.330 -9.123 36 1HE2 GLN 5 1HE2 GLN 5 15.584 -5.878 -10.484 37 2HE2 GLN 5 2HE2 GLN 5 17.084 -5.605 -11.304 38 HA PRO 6 HA PRO 6 10.392 -6.432 -9.072 39 1HB PRO 6 2HB PRO 6 10.680 -9.077 -9.902 40 2HB PRO 6 1HB PRO 6 9.456 -7.942 -10.466 41 1HG PRO 6 2HG PRO 6 11.593 -9.047 -11.969 42 2HG PRO 6 1HG PRO 6 10.456 -7.794 -12.482 43 1HD PRO 6 2HD PRO 6 13.241 -7.536 -11.530 44 2HD PRO 6 1HD PRO 6 12.290 -6.443 -12.557 45 H SER 7 H SER 7 11.446 -6.269 -7.182 46 HA SER 7 HA SER 7 13.715 -7.958 -6.592 47 1HB SER 7 2HB SER 7 12.431 -5.740 -4.984 48 2HB SER 7 1HB SER 7 13.993 -6.480 -4.701 49 HG SER 7 HG SER 7 14.652 -5.686 -6.753 50 H ARG 8 H ARG 8 10.834 -6.917 -4.761 51 HA ARG 8 HA ARG 8 10.488 -9.668 -3.824 52 1HB ARG 8 2HB ARG 8 10.698 -7.199 -2.098 53 2HB ARG 8 1HB ARG 8 10.046 -8.725 -1.528 54 1HG ARG 8 2HG ARG 8 12.819 -8.358 -2.602 55 2HG ARG 8 1HG ARG 8 12.399 -8.332 -0.890 56 1HD ARG 8 2HD ARG 8 11.526 -10.619 -1.097 57 2HD ARG 8 1HD ARG 8 12.004 -10.636 -2.795 58 HE ARG 8 HE ARG 8 14.282 -9.988 -1.386 59 1HH1 ARG 8 1HH1 ARG 8 12.042 -12.684 -1.475 60 2HH1 ARG 8 2HH1 ARG 8 13.222 -13.844 -0.949 61 1HH2 ARG 8 1HH2 ARG 8 15.829 -11.505 -0.727 62 2HH2 ARG 8 2HH2 ARG 8 15.382 -13.166 -0.515 63 H SER 9 H SER 9 8.427 -9.808 -2.529 64 HA SER 9 HA SER 9 6.387 -7.987 -3.623 65 1HB SER 9 2HB SER 9 6.044 -10.823 -2.615 66 2HB SER 9 1HB SER 9 4.758 -9.792 -3.249 67 HG SER 9 HG SER 9 6.612 -11.281 -4.581 68 H TYR 10 H TYR 10 5.163 -6.852 -2.227 69 HA TYR 10 HA TYR 10 5.797 -7.223 0.627 70 1HB TYR 10 2HB TYR 10 4.889 -4.680 -0.752 71 2HB TYR 10 1HB TYR 10 5.371 -4.842 0.932 72 HD1 TYR 10 1HD TYR 10 6.446 -3.985 -2.321 73 HD2 TYR 10 2HD TYR 10 7.815 -5.673 1.334 74 HE1 TYR 10 1HE TYR 10 8.758 -3.419 -2.935 75 HE2 TYR 10 2HE TYR 10 10.133 -5.118 0.729 76 HH TYR 10 HH TYR 10 10.952 -2.963 -1.622 77 H ARG 11 H ARG 11 4.168 -7.718 1.937 78 HA ARG 11 HA ARG 11 1.465 -7.741 0.811 79 1HB ARG 11 2HB ARG 11 0.977 -9.194 2.843 80 2HB ARG 11 1HB ARG 11 2.021 -9.882 1.612 81 1HG ARG 11 2HG ARG 11 3.985 -9.320 2.968 82 2HG ARG 11 1HG ARG 11 2.925 -8.654 4.213 83 1HD ARG 11 2HD ARG 11 1.924 -10.821 4.567 84 2HD ARG 11 1HD ARG 11 2.856 -11.502 3.235 85 HE ARG 11 HE ARG 11 4.869 -10.931 4.655 86 1HH1 ARG 11 1HH1 ARG 11 1.739 -11.455 6.086 87 2HH1 ARG 11 2HH1 ARG 11 2.361 -12.197 7.528 88 1HH2 ARG 11 1HH2 ARG 11 5.745 -11.875 6.557 89 2HH2 ARG 11 2HH2 ARG 11 4.661 -12.433 7.805 90 H ILE 12 H ILE 12 -0.294 -6.940 1.959 91 HA ILE 12 HA ILE 12 0.396 -4.607 3.575 92 HB ILE 12 HB ILE 12 -2.374 -5.444 2.689 93 1HG1 ILE 12 2HG1 ILE 12 -0.425 -3.656 1.215 94 2HG1 ILE 12 1HG1 ILE 12 -0.887 -5.279 0.721 95 1HG2 ILE 12 1HG2 ILE 12 -1.225 -2.757 3.447 96 2HG2 ILE 12 2HG2 ILE 12 -2.282 -3.753 4.448 97 3HG2 ILE 12 3HG2 ILE 12 -2.887 -3.063 2.943 98 1HD1 ILE 12 1HD1 ILE 12 -3.200 -4.523 0.442 99 2HD1 ILE 12 2HD1 ILE 12 -2.070 -3.623 -0.574 100 3HD1 ILE 12 3HD1 ILE 12 -2.707 -2.895 0.901 101 H THR 13 H THR 13 0.420 -4.766 5.735 102 HA THR 13 HA THR 13 -0.999 -6.952 7.033 103 HB THR 13 HB THR 13 0.147 -5.871 9.114 104 HG1 THR 13 1HG THR 13 2.201 -4.880 8.250 105 1HG2 THR 13 1HG2 THR 13 0.762 -8.030 8.152 106 2HG2 THR 13 2HG2 THR 13 2.198 -7.129 8.640 107 3HG2 THR 13 3HG2 THR 13 1.747 -7.218 6.936 108 H GLY 14 H GLY 14 -1.510 -3.678 6.304 109 1HA GLY 14 2HA GLY 14 -4.092 -3.479 6.963 110 2HA GLY 14 1HA GLY 14 -3.323 -3.215 8.523 111 H TYR 15 H TYR 15 -4.461 -1.125 8.301 112 HA TYR 15 HA TYR 15 -3.072 0.767 6.549 113 1HB TYR 15 2HB TYR 15 -5.429 1.287 8.373 114 2HB TYR 15 1HB TYR 15 -4.807 2.355 7.127 115 HD1 TYR 15 1HD TYR 15 -6.718 -0.712 7.774 116 HD2 TYR 15 2HD TYR 15 -5.372 2.019 4.802 117 HE1 TYR 15 1HE TYR 15 -8.302 -1.690 6.167 118 HE2 TYR 15 2HE TYR 15 -6.951 1.047 3.187 119 HH TYR 15 HH TYR 15 -8.187 -0.996 2.809 120 H SER 16 H SER 16 -2.053 2.622 7.422 121 HA SER 16 HA SER 16 -0.731 2.241 9.887 122 1HB SER 16 2HB SER 16 -1.011 4.755 8.230 123 2HB SER 16 1HB SER 16 0.218 4.436 9.444 124 HG SER 16 HG SER 16 0.682 4.045 7.075 125 HA PRO 17 HA PRO 17 -3.789 3.660 12.704 126 1HB PRO 17 2HB PRO 17 -1.604 4.688 14.395 127 2HB PRO 17 1HB PRO 17 -2.792 3.426 14.732 128 1HG PRO 17 2HG PRO 17 -0.220 2.831 14.262 129 2HG PRO 17 1HG PRO 17 -1.536 1.779 13.705 130 1HD PRO 17 2HD PRO 17 0.091 3.762 12.158 131 2HD PRO 17 1HD PRO 17 -0.448 2.136 11.689 132 H ALA 18 H ALA 18 -1.868 5.772 11.003 133 HA ALA 18 HA ALA 18 -2.961 8.158 12.335 134 1HB ALA 18 1HB ALA 18 -0.721 7.962 10.323 135 2HB ALA 18 2HB ALA 18 -0.513 8.080 12.072 136 3HB ALA 18 3HB ALA 18 -1.236 9.418 11.174 137 H ILE 19 H ILE 19 -4.194 6.211 10.293 138 HA ILE 19 HA ILE 19 -4.722 8.028 8.066 139 HB ILE 19 HB ILE 19 -4.238 5.564 7.710 140 1HG1 ILE 19 2HG1 ILE 19 -6.872 6.623 6.659 141 2HG1 ILE 19 1HG1 ILE 19 -5.286 6.958 5.976 142 1HG2 ILE 19 1HG2 ILE 19 -6.120 4.000 8.016 143 2HG2 ILE 19 2HG2 ILE 19 -7.018 5.268 8.849 144 3HG2 ILE 19 3HG2 ILE 19 -5.523 4.645 9.544 145 1HD1 ILE 19 1HD1 ILE 19 -6.585 4.251 6.140 146 2HD1 ILE 19 2HD1 ILE 19 -5.018 4.610 5.419 147 3HD1 ILE 19 3HD1 ILE 19 -6.490 5.268 4.703 148 H SER 20 H SER 20 -6.949 8.423 7.386 149 HA SER 20 HA SER 20 -8.740 8.773 9.661 150 1HB SER 20 2HB SER 20 -8.969 9.838 6.835 151 2HB SER 20 1HB SER 20 -9.967 10.305 8.213 152 HG SER 20 HG SER 20 -7.908 10.969 9.218 153 H ASN 21 H ASN 21 -10.913 8.087 9.608 154 HA ASN 21 HA ASN 21 -11.329 5.482 8.676 155 1HB ASN 21 2HB ASN 21 -13.244 7.594 9.650 156 2HB ASN 21 1HB ASN 21 -13.783 5.984 9.191 157 1HD2 ASN 21 1HD2 ASN 21 -14.508 5.602 11.269 158 2HD2 ASN 21 2HD2 ASN 21 -13.424 5.250 12.572 159 H GLY 22 H GLY 22 -12.602 8.561 7.415 160 1HA GLY 22 2HA GLY 22 -14.136 7.488 5.334 161 2HA GLY 22 1HA GLY 22 -13.457 9.107 5.355 162 H TYR 23 H TYR 23 -10.717 8.321 5.443 163 HA TYR 23 HA TYR 23 -10.275 7.913 2.660 164 1HB TYR 23 2HB TYR 23 -8.830 9.113 4.602 165 2HB TYR 23 1HB TYR 23 -8.014 7.558 4.545 166 HD1 TYR 23 1HD TYR 23 -8.143 6.945 1.640 167 HD2 TYR 23 2HD TYR 23 -7.309 10.602 3.656 168 HE1 TYR 23 1HE TYR 23 -6.830 7.709 -0.294 169 HE2 TYR 23 2HE TYR 23 -5.994 11.369 1.728 170 HH TYR 23 HH TYR 23 -6.142 9.962 -1.277 171 H ARG 24 H ARG 24 -9.889 5.951 5.561 172 HA ARG 24 HA ARG 24 -8.785 3.646 4.458 173 1HB ARG 24 2HB ARG 24 -9.108 4.040 6.875 174 2HB ARG 24 1HB ARG 24 -10.846 3.900 6.663 175 1HG ARG 24 2HG ARG 24 -10.365 1.562 5.766 176 2HG ARG 24 1HG ARG 24 -8.758 1.770 6.465 177 1HD ARG 24 2HD ARG 24 -9.909 2.334 8.637 178 2HD ARG 24 1HD ARG 24 -11.411 1.801 7.887 179 HE ARG 24 HE ARG 24 -9.180 0.146 8.740 180 1HH1 ARG 24 1HH1 ARG 24 -12.230 0.327 7.016 181 2HH1 ARG 24 2HH1 ARG 24 -12.488 -1.395 7.056 182 1HH2 ARG 24 1HH2 ARG 24 -9.508 -2.078 8.798 183 2HH2 ARG 24 2HH2 ARG 24 -10.912 -2.774 8.045 184 H GLN 25 H GLN 25 -12.149 4.652 4.764 185 HA GLN 25 HA GLN 25 -13.338 2.355 3.686 186 1HB GLN 25 2HB GLN 25 -14.554 4.043 4.968 187 2HB GLN 25 1HB GLN 25 -14.258 5.226 3.709 188 1HG GLN 25 2HG GLN 25 -15.624 3.949 2.161 189 2HG GLN 25 1HG GLN 25 -15.908 2.735 3.409 190 1HE2 GLN 25 1HE2 GLN 25 -16.059 4.705 5.532 191 2HE2 GLN 25 2HE2 GLN 25 -17.604 5.471 5.369 192 H ARG 26 H ARG 26 -12.312 5.376 2.253 193 HA ARG 26 HA ARG 26 -13.103 4.870 -0.386 194 1HB ARG 26 2HB ARG 26 -12.398 7.070 0.576 195 2HB ARG 26 1HB ARG 26 -10.739 6.500 0.558 196 1HG ARG 26 2HG ARG 26 -10.641 6.514 -1.780 197 2HG ARG 26 1HG ARG 26 -12.398 6.612 -1.938 198 1HD ARG 26 2HD ARG 26 -10.593 8.756 -0.817 199 2HD ARG 26 1HD ARG 26 -11.360 8.774 -2.407 200 HE ARG 26 HE ARG 26 -13.526 8.737 -1.152 201 1HH1 ARG 26 1HH1 ARG 26 -10.624 10.172 0.187 202 2HH1 ARG 26 2HH1 ARG 26 -11.473 11.102 1.387 203 1HH2 ARG 26 1HH2 ARG 26 -14.661 9.976 0.407 204 2HH2 ARG 26 2HH2 ARG 26 -13.779 10.997 1.506 205 H LEU 27 H LEU 27 -10.126 4.135 1.358 206 HA LEU 27 HA LEU 27 -8.687 3.152 -0.890 207 1HB LEU 27 2HB LEU 27 -8.353 2.602 2.062 208 2HB LEU 27 1HB LEU 27 -7.226 2.070 0.834 209 HG LEU 27 HG LEU 27 -7.853 4.934 1.553 210 1HD1 LEU 27 1HD1 LEU 27 -5.515 4.970 2.302 211 2HD1 LEU 27 2HD1 LEU 27 -5.398 3.242 1.971 212 3HD1 LEU 27 3HD1 LEU 27 -6.495 3.827 3.219 213 1HD2 LEU 27 1HD2 LEU 27 -6.077 5.524 -0.013 214 2HD2 LEU 27 2HD2 LEU 27 -7.402 4.701 -0.836 215 3HD2 LEU 27 3HD2 LEU 27 -5.912 3.830 -0.473 216 H PHE 28 H PHE 28 -10.620 1.606 1.619 217 HA PHE 28 HA PHE 28 -10.213 -1.069 0.871 218 1HB PHE 28 2HB PHE 28 -11.299 -0.166 2.983 219 2HB PHE 28 1HB PHE 28 -12.761 0.062 2.036 220 HD1 PHE 28 1HD PHE 28 -14.226 -1.732 1.597 221 HD2 PHE 28 2HD PHE 28 -10.386 -2.482 3.278 222 HE1 PHE 28 1HE PHE 28 -14.883 -4.060 2.049 223 HE2 PHE 28 2HE PHE 28 -11.034 -4.812 3.728 224 HZ PHE 28 HZ PHE 28 -13.285 -5.602 3.115 225 H SER 29 H SER 29 -12.654 1.278 -0.072 226 HA SER 29 HA SER 29 -14.166 -0.433 -1.742 227 1HB SER 29 2HB SER 29 -13.908 2.582 -1.746 228 2HB SER 29 1HB SER 29 -15.157 1.667 -2.583 229 HG SER 29 HG SER 29 -14.727 1.936 0.205 230 H MET 30 H MET 30 -11.312 1.483 -2.256 231 HA MET 30 HA MET 30 -11.453 1.303 -5.133 232 1HB MET 30 2HB MET 30 -9.408 2.415 -3.229 233 2HB MET 30 1HB MET 30 -9.087 2.278 -4.952 234 1HG MET 30 2HG MET 30 -11.129 3.639 -5.372 235 2HG MET 30 1HG MET 30 -11.259 3.881 -3.630 236 1HE MET 30 1HE MET 30 -9.419 5.166 -2.186 237 2HE MET 30 2HE MET 30 -7.944 5.852 -2.869 238 3HE MET 30 3HE MET 30 -8.162 4.104 -2.825 239 H GLY 31 H GLY 31 -10.177 -0.640 -2.587 240 1HA GLY 31 2HA GLY 31 -9.831 -2.974 -3.347 241 2HA GLY 31 1HA GLY 31 -8.877 -2.305 -4.659 242 H LEU 32 H LEU 32 -8.370 -0.667 -1.739 243 HA LEU 32 HA LEU 32 -5.851 -2.129 -1.359 244 1HB LEU 32 2HB LEU 32 -6.666 0.611 -0.381 245 2HB LEU 32 1HB LEU 32 -5.109 -0.144 -0.096 246 HG LEU 32 HG LEU 32 -6.198 0.631 -2.805 247 1HD1 LEU 32 1HD1 LEU 32 -4.071 1.889 -1.080 248 2HD1 LEU 32 2HD1 LEU 32 -5.641 2.582 -1.487 249 3HD1 LEU 32 3HD1 LEU 32 -4.430 2.341 -2.747 250 1HD2 LEU 32 1HD2 LEU 32 -3.512 -0.465 -1.981 251 2HD2 LEU 32 2HD2 LEU 32 -3.927 0.120 -3.590 252 3HD2 LEU 32 3HD2 LEU 32 -4.734 -1.304 -2.936 253 H LEU 33 H LEU 33 -6.351 -3.803 -0.035 254 HA LEU 33 HA LEU 33 -7.538 -3.131 2.558 255 1HB LEU 33 2HB LEU 33 -8.834 -5.169 2.524 256 2HB LEU 33 1HB LEU 33 -9.244 -4.179 1.143 257 HG LEU 33 HG LEU 33 -7.275 -6.434 0.880 258 1HD1 LEU 33 1HD1 LEU 33 -10.283 -6.605 0.721 259 2HD1 LEU 33 2HD1 LEU 33 -9.239 -7.436 1.875 260 3HD1 LEU 33 3HD1 LEU 33 -9.169 -7.852 0.163 261 1HD2 LEU 33 1HD2 LEU 33 -7.402 -4.891 -0.982 262 2HD2 LEU 33 2HD2 LEU 33 -9.155 -5.063 -1.039 263 3HD2 LEU 33 3HD2 LEU 33 -8.121 -6.436 -1.436 264 HA PRO 34 HA PRO 34 -4.177 -5.387 4.359 265 1HB PRO 34 2HB PRO 34 -6.089 -6.451 6.337 266 2HB PRO 34 1HB PRO 34 -4.668 -5.433 6.587 267 1HG PRO 34 2HG PRO 34 -7.150 -4.463 6.856 268 2HG PRO 34 1HG PRO 34 -5.832 -3.481 6.192 269 1HD PRO 34 2HD PRO 34 -8.051 -4.894 4.759 270 2HD PRO 34 1HD PRO 34 -7.356 -3.288 4.455 271 H GLY 35 H GLY 35 -3.291 -7.343 4.031 272 1HA GLY 35 2HA GLY 35 -3.426 -9.755 4.113 273 2HA GLY 35 1HA GLY 35 -5.103 -9.631 3.602 274 H ALA 36 H ALA 36 -3.967 -7.428 1.677 275 HA ALA 36 HA ALA 36 -3.562 -9.250 -0.510 276 1HB ALA 36 1HB ALA 36 -5.004 -7.271 -0.768 277 2HB ALA 36 2HB ALA 36 -3.662 -7.268 -1.913 278 3HB ALA 36 3HB ALA 36 -3.606 -6.231 -0.487 279 H ALA 37 H ALA 37 -1.861 -8.210 -2.130 280 HA ALA 37 HA ALA 37 0.648 -7.610 -0.823 281 1HB ALA 37 1HB ALA 37 1.827 -9.541 -1.743 282 2HB ALA 37 2HB ALA 37 0.311 -10.161 -2.396 283 3HB ALA 37 3HB ALA 37 0.537 -10.045 -0.652 284 H LEU 38 H LEU 38 2.019 -6.515 -2.102 285 HA LEU 38 HA LEU 38 1.251 -6.161 -4.924 286 1HB LEU 38 2HB LEU 38 3.026 -4.372 -3.275 287 2HB LEU 38 1HB LEU 38 2.418 -4.053 -4.876 288 HG LEU 38 HG LEU 38 1.169 -2.671 -3.471 289 1HD1 LEU 38 1HD1 LEU 38 -0.504 -5.125 -3.944 290 2HD1 LEU 38 2HD1 LEU 38 -0.211 -3.820 -5.093 291 3HD1 LEU 38 3HD1 LEU 38 -1.117 -3.503 -3.614 292 1HD2 LEU 38 1HD2 LEU 38 0.725 -5.024 -1.647 293 2HD2 LEU 38 2HD2 LEU 38 0.029 -3.418 -1.437 294 3HD2 LEU 38 3HD2 LEU 38 1.775 -3.641 -1.337 295 H ARG 39 H ARG 39 2.570 -6.937 -6.406 296 HA ARG 39 HA ARG 39 5.219 -7.896 -5.610 297 1HB ARG 39 2HB ARG 39 3.618 -9.359 -6.908 298 2HB ARG 39 1HB ARG 39 3.808 -8.260 -8.266 299 1HG ARG 39 2HG ARG 39 6.132 -8.810 -8.466 300 2HG ARG 39 1HG ARG 39 6.076 -9.754 -6.974 301 1HD ARG 39 2HD ARG 39 4.607 -10.368 -9.538 302 2HD ARG 39 1HD ARG 39 6.019 -11.219 -8.914 303 HE ARG 39 HE ARG 39 3.696 -11.168 -7.172 304 1HH1 ARG 39 1HH1 ARG 39 5.520 -12.941 -9.579 305 2HH1 ARG 39 2HH1 ARG 39 4.798 -14.476 -9.176 306 1HH2 ARG 39 1HH2 ARG 39 2.741 -13.172 -6.646 307 2HH2 ARG 39 2HH2 ARG 39 3.219 -14.609 -7.505 308 H VAL 40 H VAL 40 6.926 -6.579 -5.927 309 HA VAL 40 HA VAL 40 6.408 -4.027 -7.057 310 HB VAL 40 HB VAL 40 7.955 -4.464 -5.101 311 1HG1 VAL 40 1HG1 VAL 40 9.873 -5.185 -7.308 312 2HG1 VAL 40 2HG1 VAL 40 9.296 -6.247 -6.022 313 3HG1 VAL 40 3HG1 VAL 40 10.318 -4.863 -5.633 314 1HG2 VAL 40 1HG2 VAL 40 9.373 -2.578 -5.636 315 2HG2 VAL 40 2HG2 VAL 40 7.740 -2.297 -6.233 316 3HG2 VAL 40 3HG2 VAL 40 9.019 -2.764 -7.353 317 H VAL 41 H VAL 41 6.779 -3.215 -8.933 318 HA VAL 41 HA VAL 41 8.130 -4.838 -10.966 319 HB VAL 41 HB VAL 41 6.319 -2.446 -11.365 320 1HG1 VAL 41 1HG1 VAL 41 7.866 -2.823 -13.216 321 2HG1 VAL 41 2HG1 VAL 41 6.209 -3.199 -13.687 322 3HG1 VAL 41 3HG1 VAL 41 7.339 -4.504 -13.324 323 1HG2 VAL 41 1HG2 VAL 41 5.699 -5.394 -11.504 324 2HG2 VAL 41 2HG2 VAL 41 4.629 -4.111 -12.068 325 3HG2 VAL 41 3HG2 VAL 41 5.045 -4.223 -10.358 326 H ARG 42 H ARG 42 8.123 -1.624 -9.442 327 HA ARG 42 HA ARG 42 10.848 -1.174 -10.190 328 1HB ARG 42 2HB ARG 42 9.519 -0.704 -12.313 329 2HB ARG 42 1HB ARG 42 8.820 0.666 -11.462 330 1HG ARG 42 2HG ARG 42 11.386 1.218 -11.056 331 2HG ARG 42 1HG ARG 42 11.541 0.286 -12.546 332 1HD ARG 42 2HD ARG 42 10.070 2.849 -12.063 333 2HD ARG 42 1HD ARG 42 11.281 2.480 -13.291 334 HE ARG 42 HE ARG 42 9.403 0.901 -14.144 335 1HH1 ARG 42 1HH1 ARG 42 9.024 4.112 -12.793 336 2HH1 ARG 42 2HH1 ARG 42 7.534 4.425 -13.631 337 1HH2 ARG 42 1HH2 ARG 42 7.418 1.314 -15.247 338 2HH2 ARG 42 2HH2 ARG 42 6.619 2.844 -15.007 339 H ILE 43 H ILE 43 11.768 0.247 -8.770 340 HA ILE 43 HA ILE 43 10.032 2.360 -7.618 341 HB ILE 43 HB ILE 43 12.680 1.412 -6.461 342 1HG1 ILE 43 2HG1 ILE 43 11.026 0.694 -4.536 343 2HG1 ILE 43 1HG1 ILE 43 9.869 0.592 -5.857 344 1HG2 ILE 43 1HG2 ILE 43 12.044 2.772 -4.519 345 2HG2 ILE 43 2HG2 ILE 43 10.583 3.284 -5.361 346 3HG2 ILE 43 3HG2 ILE 43 12.167 3.750 -5.983 347 1HD1 ILE 43 1HD1 ILE 43 10.854 -1.571 -5.410 348 2HD1 ILE 43 2HD1 ILE 43 12.472 -0.908 -5.657 349 3HD1 ILE 43 3HD1 ILE 43 11.337 -0.994 -7.006 350 H ALA 44 H ALA 44 10.705 4.458 -8.090 351 HA ALA 44 HA ALA 44 12.658 4.782 -10.155 352 1HB ALA 44 1HB ALA 44 11.256 6.916 -8.548 353 2HB ALA 44 2HB ALA 44 10.628 6.181 -10.026 354 3HB ALA 44 3HB ALA 44 12.108 7.140 -10.078 355 HA PRO 45 HA PRO 45 16.283 5.502 -7.695 356 1HB PRO 45 2HB PRO 45 17.633 7.107 -9.459 357 2HB PRO 45 1HB PRO 45 17.547 5.349 -9.594 358 1HG PRO 45 2HG PRO 45 15.954 7.441 -11.016 359 2HG PRO 45 1HG PRO 45 16.663 5.945 -11.654 360 1HD PRO 45 2HD PRO 45 14.046 6.135 -11.061 361 2HD PRO 45 1HD PRO 45 14.955 4.630 -10.817 362 H LEU 46 H LEU 46 14.151 7.934 -8.766 363 HA LEU 46 HA LEU 46 15.285 10.280 -7.745 364 1HB LEU 46 2HB LEU 46 12.447 9.373 -8.133 365 2HB LEU 46 1HB LEU 46 12.798 10.933 -7.422 366 HG LEU 46 HG LEU 46 12.350 11.303 -9.727 367 1HD1 LEU 46 1HD1 LEU 46 15.333 11.320 -9.343 368 2HD1 LEU 46 2HD1 LEU 46 14.211 12.595 -8.865 369 3HD1 LEU 46 3HD1 LEU 46 14.445 12.218 -10.574 370 1HD2 LEU 46 1HD2 LEU 46 12.610 9.031 -10.543 371 2HD2 LEU 46 2HD2 LEU 46 14.359 9.144 -10.347 372 3HD2 LEU 46 3HD2 LEU 46 13.539 10.157 -11.533 373 H GLY 47 H GLY 47 13.802 7.597 -6.163 374 1HA GLY 47 2HA GLY 47 14.618 7.859 -3.650 375 2HA GLY 47 1HA GLY 47 13.330 9.054 -3.701 376 H ASP 48 H ASP 48 11.202 8.338 -4.406 377 HA ASP 48 HA ASP 48 10.682 5.559 -4.724 378 1HB ASP 48 2HB ASP 48 11.091 5.635 -2.292 379 2HB ASP 48 1HB ASP 48 9.829 6.839 -2.117 380 HA PRO 49 HA PRO 49 6.550 6.280 -5.318 381 1HB PRO 49 2HB PRO 49 6.384 5.578 -7.935 382 2HB PRO 49 1HB PRO 49 6.561 7.263 -7.443 383 1HG PRO 49 2HG PRO 49 8.456 5.587 -8.847 384 2HG PRO 49 1HG PRO 49 8.585 7.311 -8.470 385 1HD PRO 49 2HD PRO 49 9.708 4.982 -7.025 386 2HD PRO 49 1HD PRO 49 10.244 6.677 -7.028 387 H ILE 50 H ILE 50 5.301 4.209 -6.212 388 HA ILE 50 HA ILE 50 7.181 1.953 -6.198 389 HB ILE 50 HB ILE 50 4.538 1.740 -4.748 390 1HG1 ILE 50 2HG1 ILE 50 7.241 2.422 -3.560 391 2HG1 ILE 50 1HG1 ILE 50 5.851 3.500 -3.635 392 1HG2 ILE 50 1HG2 ILE 50 7.093 0.138 -4.668 393 2HG2 ILE 50 2HG2 ILE 50 5.584 -0.336 -5.447 394 3HG2 ILE 50 3HG2 ILE 50 5.659 -0.178 -3.692 395 1HD1 ILE 50 1HD1 ILE 50 6.014 0.927 -2.093 396 2HD1 ILE 50 2HD1 ILE 50 4.607 1.983 -2.185 397 3HD1 ILE 50 3HD1 ILE 50 6.092 2.556 -1.426 398 H GLN 51 H GLN 51 7.011 1.285 -8.215 399 HA GLN 51 HA GLN 51 4.428 0.987 -9.510 400 1HB GLN 51 2HB GLN 51 6.811 1.540 -10.562 401 2HB GLN 51 1HB GLN 51 6.960 -0.209 -10.571 402 1HG GLN 51 2HG GLN 51 6.167 0.383 -12.696 403 2HG GLN 51 1HG GLN 51 4.773 -0.263 -11.829 404 1HE2 GLN 51 1HE2 GLN 51 3.316 0.839 -13.144 405 2HE2 GLN 51 2HE2 GLN 51 3.090 2.550 -13.040 406 H VAL 52 H VAL 52 3.220 -0.762 -8.971 407 HA VAL 52 HA VAL 52 4.605 -3.304 -8.450 408 HB VAL 52 HB VAL 52 3.046 -3.758 -6.554 409 1HG1 VAL 52 1HG1 VAL 52 5.017 -1.508 -6.287 410 2HG1 VAL 52 2HG1 VAL 52 5.284 -3.226 -5.991 411 3HG1 VAL 52 3HG1 VAL 52 4.255 -2.295 -4.906 412 1HG2 VAL 52 1HG2 VAL 52 1.325 -2.111 -7.035 413 2HG2 VAL 52 2HG2 VAL 52 2.476 -0.800 -6.775 414 3HG2 VAL 52 3HG2 VAL 52 1.992 -1.827 -5.426 415 H GLU 53 H GLU 53 3.094 -5.151 -8.420 416 HA GLU 53 HA GLU 53 0.660 -4.630 -9.998 417 1HB GLU 53 2HB GLU 53 2.380 -5.856 -11.276 418 2HB GLU 53 1HB GLU 53 2.404 -7.102 -10.033 419 1HG GLU 53 2HG GLU 53 0.077 -7.644 -10.519 420 2HG GLU 53 1HG GLU 53 0.036 -6.379 -11.747 421 H THR 54 H THR 54 -1.159 -5.081 -8.960 422 HA THR 54 HA THR 54 -0.999 -6.411 -6.392 423 HB THR 54 HB THR 54 -3.539 -5.406 -7.654 424 HG1 THR 54 1HG THR 54 -2.125 -3.673 -6.007 425 1HG2 THR 54 1HG2 THR 54 -3.744 -6.644 -5.561 426 2HG2 THR 54 2HG2 THR 54 -4.140 -4.942 -5.317 427 3HG2 THR 54 3HG2 THR 54 -2.575 -5.566 -4.797 428 H ARG 55 H ARG 55 -3.570 -6.715 -8.794 429 HA ARG 55 HA ARG 55 -3.157 -9.591 -8.998 430 1HB ARG 55 2HB ARG 55 -5.477 -10.095 -8.375 431 2HB ARG 55 1HB ARG 55 -4.623 -9.331 -7.039 432 1HG ARG 55 2HG ARG 55 -5.679 -7.199 -7.561 433 2HG ARG 55 1HG ARG 55 -6.512 -7.938 -8.930 434 1HD ARG 55 2HD ARG 55 -7.685 -9.445 -7.397 435 2HD ARG 55 1HD ARG 55 -6.855 -8.697 -6.031 436 HE ARG 55 HE ARG 55 -8.293 -6.818 -7.665 437 1HH1 ARG 55 1HH1 ARG 55 -8.625 -9.139 -5.046 438 2HH1 ARG 55 2HH1 ARG 55 -9.966 -8.298 -4.319 439 1HH2 ARG 55 1HH2 ARG 55 -10.060 -5.738 -6.702 440 2HH2 ARG 55 2HH2 ARG 55 -10.789 -6.384 -5.264 441 H GLN 56 H GLN 56 -3.433 -6.875 -10.567 442 HA GLN 56 HA GLN 56 -5.149 -7.936 -12.693 443 1HB GLN 56 2HB GLN 56 -6.126 -6.071 -11.003 444 2HB GLN 56 1HB GLN 56 -5.336 -5.022 -12.172 445 1HG GLN 56 2HG GLN 56 -7.591 -5.251 -12.836 446 2HG GLN 56 1HG GLN 56 -6.620 -6.199 -13.965 447 1HE2 GLN 56 1HE2 GLN 56 -6.778 -8.435 -13.947 448 2HE2 GLN 56 2HE2 GLN 56 -8.040 -9.271 -13.101 449 H THR 57 H THR 57 -3.296 -4.983 -11.951 450 HA THR 57 HA THR 57 -1.447 -5.526 -14.102 451 HB THR 57 HB THR 57 -3.396 -4.421 -15.237 452 HG1 THR 57 1HG THR 57 -1.376 -4.157 -16.184 453 1HG2 THR 57 1HG2 THR 57 -3.778 -2.026 -14.850 454 2HG2 THR 57 2HG2 THR 57 -2.620 -2.057 -13.521 455 3HG2 THR 57 3HG2 THR 57 -4.119 -2.975 -13.406 456 H SER 58 H SER 58 -0.052 -3.304 -14.278 457 HA SER 58 HA SER 58 1.062 -3.032 -11.649 458 1HB SER 58 2HB SER 58 1.872 -1.676 -14.225 459 2HB SER 58 1HB SER 58 2.821 -1.740 -12.742 460 HG SER 58 HG SER 58 1.975 -4.050 -14.174 461 H LEU 59 H LEU 59 1.166 -1.264 -10.398 462 HA LEU 59 HA LEU 59 -0.344 1.132 -11.175 463 1HB LEU 59 2HB LEU 59 -0.758 -0.672 -8.881 464 2HB LEU 59 1HB LEU 59 -0.748 1.036 -8.491 465 HG LEU 59 HG LEU 59 -2.526 -0.150 -10.609 466 1HD1 LEU 59 1HD1 LEU 59 -3.149 0.416 -7.713 467 2HD1 LEU 59 2HD1 LEU 59 -3.077 -1.176 -8.472 468 3HD1 LEU 59 3HD1 LEU 59 -4.326 -0.028 -8.948 469 1HD2 LEU 59 1HD2 LEU 59 -2.124 2.231 -10.828 470 2HD2 LEU 59 2HD2 LEU 59 -2.548 2.478 -9.134 471 3HD2 LEU 59 3HD2 LEU 59 -3.777 1.941 -10.280 472 H ALA 60 H ALA 60 0.128 2.940 -9.568 473 HA ALA 60 HA ALA 60 2.847 2.811 -8.493 474 1HB ALA 60 1HB ALA 60 3.090 3.729 -10.751 475 2HB ALA 60 2HB ALA 60 3.440 4.955 -9.531 476 3HB ALA 60 3HB ALA 60 1.895 4.970 -10.379 477 H LEU 61 H LEU 61 3.217 4.274 -6.774 478 HA LEU 61 HA LEU 61 1.071 6.063 -6.013 479 1HB LEU 61 2HB LEU 61 0.836 5.155 -3.753 480 2HB LEU 61 1HB LEU 61 0.331 4.004 -4.966 481 HG LEU 61 HG LEU 61 3.092 3.822 -3.860 482 1HD1 LEU 61 1HD1 LEU 61 0.596 2.765 -2.544 483 2HD1 LEU 61 2HD1 LEU 61 1.678 3.996 -1.894 484 3HD1 LEU 61 3HD1 LEU 61 2.248 2.339 -2.094 485 1HD2 LEU 61 1HD2 LEU 61 1.099 1.778 -4.830 486 2HD2 LEU 61 2HD2 LEU 61 2.753 1.447 -4.313 487 3HD2 LEU 61 3HD2 LEU 61 2.459 2.415 -5.757 488 H ARG 62 H ARG 62 1.684 7.465 -4.252 489 HA ARG 62 HA ARG 62 4.565 7.939 -4.275 490 1HB ARG 62 2HB ARG 62 2.156 9.655 -3.923 491 2HB ARG 62 1HB ARG 62 3.657 10.159 -3.162 492 1HG ARG 62 2HG ARG 62 3.442 9.494 -6.083 493 2HG ARG 62 1HG ARG 62 3.193 11.113 -5.432 494 1HD ARG 62 2HD ARG 62 5.465 10.964 -4.398 495 2HD ARG 62 1HD ARG 62 5.698 9.443 -5.259 496 HE ARG 62 HE ARG 62 5.116 11.033 -7.287 497 1HH1 ARG 62 1HH1 ARG 62 7.170 11.690 -4.507 498 2HH1 ARG 62 2HH1 ARG 62 8.235 12.743 -5.390 499 1HH2 ARG 62 1HH2 ARG 62 6.537 12.417 -8.437 500 2HH2 ARG 62 2HH2 ARG 62 7.875 13.150 -7.601 501 H ARG 63 H ARG 63 5.331 9.067 -2.213 502 HA ARG 63 HA ARG 63 5.373 7.260 -0.123 503 1HB ARG 63 2HB ARG 63 6.472 9.045 1.171 504 2HB ARG 63 1HB ARG 63 7.108 8.894 -0.455 505 1HG ARG 63 2HG ARG 63 6.958 11.136 -0.392 506 2HG ARG 63 1HG ARG 63 5.306 10.798 -0.906 507 1HD ARG 63 2HD ARG 63 4.572 10.898 1.435 508 2HD ARG 63 1HD ARG 63 6.224 11.271 1.927 509 HE ARG 63 HE ARG 63 4.670 13.031 0.137 510 1HH1 ARG 63 1HH1 ARG 63 6.747 12.523 2.900 511 2HH1 ARG 63 2HH1 ARG 63 6.901 14.212 3.275 512 1HH2 ARG 63 1HH2 ARG 63 4.838 15.255 0.613 513 2HH2 ARG 63 2HH2 ARG 63 5.812 15.781 1.960 514 H LYS 64 H LYS 64 3.265 10.031 -0.593 515 HA LYS 64 HA LYS 64 2.092 10.096 1.963 516 1HB LYS 64 2HB LYS 64 1.706 11.917 0.435 517 2HB LYS 64 1HB LYS 64 0.954 10.839 -0.736 518 1HG LYS 64 2HG LYS 64 -0.831 10.379 0.947 519 2HG LYS 64 1HG LYS 64 -0.119 11.634 1.957 520 1HD LYS 64 2HD LYS 64 -0.586 13.314 0.330 521 2HD LYS 64 1HD LYS 64 -1.051 12.104 -0.870 522 1HE LYS 64 2HE LYS 64 -2.948 11.450 0.532 523 2HE LYS 64 1HE LYS 64 -2.482 12.659 1.727 524 1HZ LYS 64 1HZ LYS 64 -4.275 13.406 0.254 525 2HZ LYS 64 2HZ LYS 64 -3.243 13.266 -1.080 526 3HZ LYS 64 3HZ LYS 64 -2.903 14.391 0.145 527 H ASP 65 H ASP 65 1.036 8.444 -0.994 528 HA ASP 65 HA ASP 65 -1.233 7.201 0.145 529 1HB ASP 65 2HB ASP 65 -0.511 7.571 -2.361 530 2HB ASP 65 1HB ASP 65 0.264 6.003 -2.164 531 H LEU 66 H LEU 66 2.097 6.222 -0.333 532 HA LEU 66 HA LEU 66 1.978 3.594 0.606 533 1HB LEU 66 2HB LEU 66 3.922 4.459 -0.526 534 2HB LEU 66 1HB LEU 66 4.177 5.652 0.729 535 HG LEU 66 HG LEU 66 4.704 3.848 2.330 536 1HD1 LEU 66 1HD1 LEU 66 5.082 1.578 1.518 537 2HD1 LEU 66 2HD1 LEU 66 4.480 2.046 -0.074 538 3HD1 LEU 66 3HD1 LEU 66 3.396 2.060 1.317 539 1HD2 LEU 66 1HD2 LEU 66 6.338 3.810 -0.203 540 2HD2 LEU 66 2HD2 LEU 66 6.880 3.251 1.379 541 3HD2 LEU 66 3HD2 LEU 66 6.502 4.956 1.129 542 H ALA 67 H ALA 67 2.283 6.651 2.324 543 HA ALA 67 HA ALA 67 2.976 5.546 4.839 544 1HB ALA 67 1HB ALA 67 1.705 8.220 4.278 545 2HB ALA 67 2HB ALA 67 3.436 7.882 4.196 546 3HB ALA 67 3HB ALA 67 2.583 7.750 5.735 547 H LEU 68 H LEU 68 -0.011 5.741 3.186 548 HA LEU 68 HA LEU 68 -1.626 5.663 5.587 549 1HB LEU 68 2HB LEU 68 -2.398 5.202 2.705 550 2HB LEU 68 1HB LEU 68 -3.514 5.381 4.045 551 HG LEU 68 HG LEU 68 -1.624 7.524 3.066 552 1HD1 LEU 68 1HD1 LEU 68 -3.398 7.066 1.460 553 2HD1 LEU 68 2HD1 LEU 68 -3.634 8.632 2.239 554 3HD1 LEU 68 3HD1 LEU 68 -4.607 7.246 2.732 555 1HD2 LEU 68 1HD2 LEU 68 -2.897 8.995 4.552 556 2HD2 LEU 68 2HD2 LEU 68 -2.073 7.717 5.445 557 3HD2 LEU 68 3HD2 LEU 68 -3.807 7.606 5.144 558 H LEU 69 H LEU 69 -0.091 3.412 3.483 559 HA LEU 69 HA LEU 69 -1.671 1.200 4.622 560 1HB LEU 69 2HB LEU 69 -0.002 1.268 2.103 561 2HB LEU 69 1HB LEU 69 -0.892 -0.120 2.694 562 HG LEU 69 HG LEU 69 -2.141 2.482 1.800 563 1HD1 LEU 69 1HD1 LEU 69 -1.138 1.266 -0.056 564 2HD1 LEU 69 2HD1 LEU 69 -2.899 1.201 -0.133 565 3HD1 LEU 69 3HD1 LEU 69 -1.990 -0.199 0.433 566 1HD2 LEU 69 1HD2 LEU 69 -3.362 -0.160 2.594 567 2HD2 LEU 69 2HD2 LEU 69 -4.242 1.208 1.915 568 3HD2 LEU 69 3HD2 LEU 69 -3.469 1.351 3.494 569 H THR 70 H THR 70 -0.672 -0.249 5.910 570 HA THR 70 HA THR 70 2.191 0.040 6.334 571 HB THR 70 HB THR 70 0.372 -1.939 7.672 572 HG1 THR 70 1HG THR 70 0.381 0.783 7.859 573 1HG2 THR 70 1HG2 THR 70 2.797 -2.257 7.964 574 2HG2 THR 70 2HG2 THR 70 1.999 -1.828 9.478 575 3HG2 THR 70 3HG2 THR 70 2.921 -0.613 8.592 576 H LEU 71 H LEU 71 3.533 -1.040 5.090 577 HA LEU 71 HA LEU 71 2.636 -3.578 3.890 578 1HB LEU 71 2HB LEU 71 4.624 -1.592 2.774 579 2HB LEU 71 1HB LEU 71 4.107 -3.075 2.000 580 HG LEU 71 HG LEU 71 2.391 -0.649 2.526 581 1HD1 LEU 71 1HD1 LEU 71 3.994 -0.362 0.708 582 2HD1 LEU 71 2HD1 LEU 71 2.343 -0.458 0.098 583 3HD1 LEU 71 3HD1 LEU 71 3.417 -1.850 -0.041 584 1HD2 LEU 71 1HD2 LEU 71 1.705 -3.263 1.196 585 2HD2 LEU 71 2HD2 LEU 71 0.673 -1.835 1.254 586 3HD2 LEU 71 3HD2 LEU 71 1.084 -2.684 2.743 587 H VAL 72 H VAL 72 3.812 -5.330 4.271 588 HA VAL 72 HA VAL 72 6.609 -4.985 5.143 589 HB VAL 72 HB VAL 72 6.406 -6.965 6.580 590 1HG1 VAL 72 1HG1 VAL 72 5.081 -5.971 8.383 591 2HG1 VAL 72 2HG1 VAL 72 4.367 -4.844 7.230 592 3HG1 VAL 72 3HG1 VAL 72 6.094 -4.770 7.583 593 1HG2 VAL 72 1HG2 VAL 72 3.461 -6.857 5.944 594 2HG2 VAL 72 2HG2 VAL 72 4.225 -7.924 7.123 595 3HG2 VAL 72 3HG2 VAL 72 4.588 -8.100 5.406 596 HA PRO 73 HA PRO 73 7.439 -7.610 1.668 597 1HB PRO 73 2HB PRO 73 9.789 -8.605 3.144 598 2HB PRO 73 1HB PRO 73 9.711 -7.735 1.609 599 1HG PRO 73 2HG PRO 73 10.614 -6.565 3.853 600 2HG PRO 73 1HG PRO 73 9.704 -5.668 2.625 601 1HD PRO 73 2HD PRO 73 8.783 -6.742 5.262 602 2HD PRO 73 1HD PRO 73 8.374 -5.208 4.462 603 H LEU 74 H LEU 74 7.551 -9.835 1.062 604 HA LEU 74 HA LEU 74 6.286 -11.671 2.806 605 1HB LEU 74 2HB LEU 74 7.787 -12.111 0.228 606 2HB LEU 74 1HB LEU 74 6.868 -13.345 1.056 607 HG LEU 74 HG LEU 74 5.765 -10.826 -0.177 608 1HD1 LEU 74 1HD1 LEU 74 6.385 -12.515 -1.803 609 2HD1 LEU 74 2HD1 LEU 74 4.631 -12.379 -1.687 610 3HD1 LEU 74 3HD1 LEU 74 5.463 -13.730 -0.919 611 1HD2 LEU 74 1HD2 LEU 74 4.307 -13.056 1.237 612 2HD2 LEU 74 2HD2 LEU 74 3.572 -11.672 0.428 613 3HD2 LEU 74 3HD2 LEU 74 4.556 -11.430 1.871 614 H ASP 75 H ASP 75 9.632 -11.292 1.715 615 HA ASP 75 HA ASP 75 10.476 -12.912 4.011 616 1HB ASP 75 2HB ASP 75 10.763 -14.252 1.970 617 2HB ASP 75 1HB ASP 75 11.711 -12.957 1.245 Start of MODEL 19 1 HA MET 1 HA MET 1 20.573 -2.263 -20.885 2 1HB MET 1 2HB MET 1 20.075 -4.488 -21.830 3 2HB MET 1 1HB MET 1 19.554 -5.046 -20.249 4 1HG MET 1 2HG MET 1 17.730 -3.391 -20.297 5 2HG MET 1 1HG MET 1 18.249 -2.898 -21.907 6 1HE MET 1 1HE MET 1 18.176 -4.474 -24.029 7 2HE MET 1 2HE MET 1 17.574 -6.129 -24.013 8 3HE MET 1 3HE MET 1 19.081 -5.728 -23.186 9 H SER 2 H SER 2 21.229 -3.792 -17.906 10 HA SER 2 HA SER 2 20.567 -3.504 -15.770 11 1HB SER 2 2HB SER 2 20.660 -1.068 -16.235 12 2HB SER 2 1HB SER 2 18.988 -1.122 -16.780 13 HG SER 2 HG SER 2 19.722 -2.034 -14.205 14 H ALA 3 H ALA 3 19.415 -5.192 -15.224 15 HA ALA 3 HA ALA 3 17.030 -6.005 -16.476 16 1HB ALA 3 1HB ALA 3 18.088 -6.827 -13.777 17 2HB ALA 3 2HB ALA 3 18.549 -7.542 -15.322 18 3HB ALA 3 3HB ALA 3 16.890 -7.689 -14.742 19 H LEU 4 H LEU 4 15.334 -4.618 -16.439 20 HA LEU 4 HA LEU 4 14.395 -3.365 -14.040 21 1HB LEU 4 2HB LEU 4 12.915 -3.899 -16.622 22 2HB LEU 4 1HB LEU 4 12.415 -2.792 -15.359 23 HG LEU 4 HG LEU 4 14.859 -2.495 -17.110 24 1HD1 LEU 4 1HD1 LEU 4 12.270 -0.954 -17.023 25 2HD1 LEU 4 2HD1 LEU 4 12.787 -2.058 -18.299 26 3HD1 LEU 4 3HD1 LEU 4 13.671 -0.559 -18.018 27 1HD2 LEU 4 1HD2 LEU 4 15.255 -1.626 -14.866 28 2HD2 LEU 4 2HD2 LEU 4 13.773 -0.676 -14.965 29 3HD2 LEU 4 3HD2 LEU 4 15.123 -0.315 -16.040 30 H GLN 5 H GLN 5 13.766 -4.649 -12.412 31 HA GLN 5 HA GLN 5 12.330 -7.122 -13.105 32 1HB GLN 5 2HB GLN 5 13.608 -8.216 -11.242 33 2HB GLN 5 1HB GLN 5 14.578 -7.760 -12.637 34 1HG GLN 5 2HG GLN 5 15.439 -5.843 -11.482 35 2HG GLN 5 1HG GLN 5 14.359 -6.121 -10.120 36 1HE2 GLN 5 1HE2 GLN 5 14.819 -7.750 -8.665 37 2HE2 GLN 5 2HE2 GLN 5 16.362 -8.537 -8.608 38 HA PRO 6 HA PRO 6 9.489 -5.770 -9.838 39 1HB PRO 6 2HB PRO 6 7.902 -7.990 -10.233 40 2HB PRO 6 1HB PRO 6 7.680 -6.454 -11.077 41 1HG PRO 6 2HG PRO 6 9.009 -8.958 -12.013 42 2HG PRO 6 1HG PRO 6 7.994 -7.818 -12.915 43 1HD PRO 6 2HD PRO 6 10.684 -7.849 -13.146 44 2HD PRO 6 1HD PRO 6 9.740 -6.352 -13.273 45 H SER 7 H SER 7 10.443 -6.208 -7.897 46 HA SER 7 HA SER 7 11.974 -8.648 -7.743 47 1HB SER 7 2HB SER 7 11.961 -6.107 -6.122 48 2HB SER 7 1HB SER 7 13.001 -7.478 -5.792 49 HG SER 7 HG SER 7 12.907 -6.140 -8.292 50 H ARG 8 H ARG 8 10.587 -6.970 -4.938 51 HA ARG 8 HA ARG 8 9.862 -9.647 -3.987 52 1HB ARG 8 2HB ARG 8 10.673 -7.132 -2.573 53 2HB ARG 8 1HB ARG 8 9.800 -8.391 -1.720 54 1HG ARG 8 2HG ARG 8 12.115 -8.677 -1.294 55 2HG ARG 8 1HG ARG 8 11.602 -9.986 -2.352 56 1HD ARG 8 2HD ARG 8 12.728 -9.119 -4.185 57 2HD ARG 8 1HD ARG 8 12.769 -7.488 -3.514 58 HE ARG 8 HE ARG 8 14.280 -8.930 -1.778 59 1HH1 ARG 8 1HH1 ARG 8 14.396 -8.634 -5.281 60 2HH1 ARG 8 2HH1 ARG 8 16.127 -8.693 -5.336 61 1HH2 ARG 8 1HH2 ARG 8 16.529 -9.024 -1.873 62 2HH2 ARG 8 2HH2 ARG 8 17.345 -8.910 -3.407 63 H SER 9 H SER 9 7.971 -9.983 -2.821 64 HA SER 9 HA SER 9 5.805 -8.125 -3.510 65 1HB SER 9 2HB SER 9 5.638 -11.033 -2.675 66 2HB SER 9 1HB SER 9 4.291 -10.022 -3.199 67 HG SER 9 HG SER 9 6.533 -10.858 -4.743 68 H TYR 10 H TYR 10 4.723 -7.089 -1.934 69 HA TYR 10 HA TYR 10 5.397 -7.808 0.848 70 1HB TYR 10 2HB TYR 10 4.553 -5.079 -0.166 71 2HB TYR 10 1HB TYR 10 5.169 -5.477 1.435 72 HD1 TYR 10 1HD TYR 10 6.015 -4.395 -1.852 73 HD2 TYR 10 2HD TYR 10 7.579 -6.357 1.579 74 HE1 TYR 10 1HE TYR 10 8.298 -3.902 -2.620 75 HE2 TYR 10 2HE TYR 10 9.868 -5.874 0.822 76 HH TYR 10 HH TYR 10 10.590 -3.653 -1.575 77 H ARG 11 H ARG 11 3.751 -8.215 2.209 78 HA ARG 11 HA ARG 11 1.058 -8.187 1.051 79 1HB ARG 11 2HB ARG 11 0.587 -9.729 3.056 80 2HB ARG 11 1HB ARG 11 1.546 -10.360 1.728 81 1HG ARG 11 2HG ARG 11 3.593 -9.834 3.027 82 2HG ARG 11 1HG ARG 11 2.563 -9.366 4.380 83 1HD ARG 11 2HD ARG 11 1.649 -11.589 4.506 84 2HD ARG 11 1HD ARG 11 2.535 -12.071 3.061 85 HE ARG 11 HE ARG 11 4.392 -11.168 4.945 86 1HH1 ARG 11 1HH1 ARG 11 2.149 -13.799 4.455 87 2HH1 ARG 11 2HH1 ARG 11 3.004 -14.904 5.493 88 1HH2 ARG 11 1HH2 ARG 11 5.584 -12.631 6.262 89 2HH2 ARG 11 2HH2 ARG 11 4.985 -14.250 6.491 90 H ILE 12 H ILE 12 -0.697 -7.371 2.145 91 HA ILE 12 HA ILE 12 -0.002 -5.181 3.964 92 HB ILE 12 HB ILE 12 -2.724 -5.755 2.776 93 1HG1 ILE 12 2HG1 ILE 12 -0.511 -4.055 1.593 94 2HG1 ILE 12 1HG1 ILE 12 -1.076 -5.593 0.949 95 1HG2 ILE 12 1HG2 ILE 12 -2.675 -4.183 4.636 96 2HG2 ILE 12 2HG2 ILE 12 -3.083 -3.361 3.133 97 3HG2 ILE 12 3HG2 ILE 12 -1.460 -3.216 3.803 98 1HD1 ILE 12 1HD1 ILE 12 -3.256 -4.616 0.502 99 2HD1 ILE 12 2HD1 ILE 12 -1.975 -3.705 -0.297 100 3HD1 ILE 12 3HD1 ILE 12 -2.716 -3.079 1.177 101 H THR 13 H THR 13 -0.202 -5.483 6.109 102 HA THR 13 HA THR 13 -1.885 -7.656 7.088 103 HB THR 13 HB THR 13 -0.854 -6.936 9.338 104 HG1 THR 13 1HG THR 13 1.155 -5.794 9.038 105 1HG2 THR 13 1HG2 THR 13 -0.195 -8.951 8.110 106 2HG2 THR 13 2HG2 THR 13 1.198 -8.183 8.872 107 3HG2 THR 13 3HG2 THR 13 0.924 -7.995 7.140 108 H GLY 14 H GLY 14 -1.963 -4.252 6.762 109 1HA GLY 14 2HA GLY 14 -4.608 -3.908 7.367 110 2HA GLY 14 1HA GLY 14 -3.792 -3.738 8.916 111 H TYR 15 H TYR 15 -4.393 -1.562 9.085 112 HA TYR 15 HA TYR 15 -3.033 0.241 7.194 113 1HB TYR 15 2HB TYR 15 -5.486 0.812 8.868 114 2HB TYR 15 1HB TYR 15 -4.703 1.945 7.779 115 HD1 TYR 15 1HD TYR 15 -5.069 1.849 5.415 116 HD2 TYR 15 2HD TYR 15 -6.740 -1.115 7.960 117 HE1 TYR 15 1HE TYR 15 -6.508 1.088 3.573 118 HE2 TYR 15 2HE TYR 15 -8.180 -1.888 6.125 119 HH TYR 15 HH TYR 15 -7.733 -0.909 2.887 120 H SER 16 H SER 16 -2.049 2.109 8.059 121 HA SER 16 HA SER 16 -0.812 1.665 10.604 122 1HB SER 16 2HB SER 16 -0.611 3.969 8.655 123 2HB SER 16 1HB SER 16 0.452 3.684 10.023 124 HG SER 16 HG SER 16 0.964 2.861 7.710 125 HA PRO 17 HA PRO 17 -3.554 3.975 13.136 126 1HB PRO 17 2HB PRO 17 -1.885 4.957 15.025 127 2HB PRO 17 1HB PRO 17 -2.303 3.243 14.911 128 1HG PRO 17 2HG PRO 17 0.137 4.665 13.912 129 2HG PRO 17 1HG PRO 17 0.021 3.125 14.785 130 1HD PRO 17 2HD PRO 17 0.347 3.242 12.108 131 2HD PRO 17 1HD PRO 17 -0.588 1.954 12.891 132 H ALA 18 H ALA 18 -1.718 5.529 10.990 133 HA ALA 18 HA ALA 18 -2.257 8.209 12.072 134 1HB ALA 18 1HB ALA 18 -0.660 9.044 10.442 135 2HB ALA 18 2HB ALA 18 -0.460 7.424 9.781 136 3HB ALA 18 3HB ALA 18 0.071 7.776 11.424 137 H ILE 19 H ILE 19 -3.766 5.997 10.236 138 HA ILE 19 HA ILE 19 -4.616 7.782 8.101 139 HB ILE 19 HB ILE 19 -4.176 5.388 7.620 140 1HG1 ILE 19 2HG1 ILE 19 -7.057 6.200 7.179 141 2HG1 ILE 19 1HG1 ILE 19 -5.692 6.740 6.204 142 1HG2 ILE 19 1HG2 ILE 19 -6.634 4.892 9.299 143 2HG2 ILE 19 2HG2 ILE 19 -4.984 4.427 9.704 144 3HG2 ILE 19 3HG2 ILE 19 -5.791 3.686 8.324 145 1HD1 ILE 19 1HD1 ILE 19 -6.650 3.900 6.499 146 2HD1 ILE 19 2HD1 ILE 19 -5.278 4.432 5.526 147 3HD1 ILE 19 3HD1 ILE 19 -6.910 4.953 5.107 148 H SER 20 H SER 20 -6.689 8.574 7.837 149 HA SER 20 HA SER 20 -8.754 8.049 9.779 150 1HB SER 20 2HB SER 20 -7.243 9.706 10.920 151 2HB SER 20 1HB SER 20 -7.570 10.837 9.610 152 HG SER 20 HG SER 20 -9.247 9.949 11.679 153 H ASN 21 H ASN 21 -10.503 10.012 9.317 154 HA ASN 21 HA ASN 21 -12.058 10.814 7.856 155 1HB ASN 21 2HB ASN 21 -9.892 12.045 7.100 156 2HB ASN 21 1HB ASN 21 -9.920 10.943 5.732 157 1HD2 ASN 21 1HD2 ASN 21 -11.484 13.629 7.294 158 2HD2 ASN 21 2HD2 ASN 21 -12.497 14.063 5.957 159 H GLY 22 H GLY 22 -12.160 10.393 4.959 160 1HA GLY 22 2HA GLY 22 -13.032 7.604 4.990 161 2HA GLY 22 1HA GLY 22 -13.375 8.791 3.737 162 H TYR 23 H TYR 23 -10.149 8.404 4.912 163 HA TYR 23 HA TYR 23 -9.140 7.965 2.299 164 1HB TYR 23 2HB TYR 23 -8.044 9.083 4.386 165 2HB TYR 23 1HB TYR 23 -7.556 7.444 4.795 166 HD1 TYR 23 1HD TYR 23 -6.810 10.358 2.869 167 HD2 TYR 23 2HD TYR 23 -6.150 6.157 3.076 168 HE1 TYR 23 1HE TYR 23 -4.840 10.601 1.420 169 HE2 TYR 23 2HE TYR 23 -4.176 6.397 1.633 170 HH TYR 23 HH TYR 23 -3.199 7.840 0.093 171 H ARG 24 H ARG 24 -9.731 5.886 5.067 172 HA ARG 24 HA ARG 24 -8.462 3.561 4.085 173 1HB ARG 24 2HB ARG 24 -9.130 3.917 6.455 174 2HB ARG 24 1HB ARG 24 -10.816 3.805 5.982 175 1HG ARG 24 2HG ARG 24 -10.444 1.512 5.230 176 2HG ARG 24 1HG ARG 24 -8.763 1.622 5.746 177 1HD ARG 24 2HD ARG 24 -11.173 1.907 7.540 178 2HD ARG 24 1HD ARG 24 -10.163 0.469 7.404 179 HE ARG 24 HE ARG 24 -9.071 3.056 8.329 180 1HH1 ARG 24 1HH1 ARG 24 -9.585 -0.392 8.772 181 2HH1 ARG 24 2HH1 ARG 24 -8.534 -0.497 10.155 182 1HH2 ARG 24 1HH2 ARG 24 -7.682 2.909 10.133 183 2HH2 ARG 24 2HH2 ARG 24 -7.434 1.377 10.922 184 H GLN 25 H GLN 25 -11.706 4.881 3.792 185 HA GLN 25 HA GLN 25 -12.802 2.648 2.434 186 1HB GLN 25 2HB GLN 25 -13.655 5.528 2.614 187 2HB GLN 25 1HB GLN 25 -14.602 4.283 1.828 188 1HG GLN 25 2HG GLN 25 -14.750 3.052 3.926 189 2HG GLN 25 1HG GLN 25 -13.785 4.294 4.720 190 1HE2 GLN 25 1HE2 GLN 25 -15.107 6.457 3.225 191 2HE2 GLN 25 2HE2 GLN 25 -16.667 6.637 3.960 192 H ARG 26 H ARG 26 -11.133 5.551 1.412 193 HA ARG 26 HA ARG 26 -11.571 5.274 -1.365 194 1HB ARG 26 2HB ARG 26 -10.284 7.107 0.217 195 2HB ARG 26 1HB ARG 26 -8.932 6.303 -0.563 196 1HG ARG 26 2HG ARG 26 -9.311 7.957 -2.074 197 2HG ARG 26 1HG ARG 26 -10.391 6.722 -2.726 198 1HD ARG 26 2HD ARG 26 -11.546 8.845 -2.638 199 2HD ARG 26 1HD ARG 26 -12.261 7.732 -1.470 200 HE ARG 26 HE ARG 26 -10.198 9.450 -0.405 201 1HH1 ARG 26 1HH1 ARG 26 -13.647 9.131 -1.018 202 2HH1 ARG 26 2HH1 ARG 26 -14.081 10.239 0.245 203 1HH2 ARG 26 1HH2 ARG 26 -10.770 10.885 1.220 204 2HH2 ARG 26 2HH2 ARG 26 -12.447 11.259 1.512 205 H LEU 27 H LEU 27 -9.067 4.093 0.816 206 HA LEU 27 HA LEU 27 -7.496 2.778 -1.142 207 1HB LEU 27 2HB LEU 27 -7.749 2.326 1.832 208 2HB LEU 27 1HB LEU 27 -6.527 1.580 0.827 209 HG LEU 27 HG LEU 27 -6.833 4.540 1.335 210 1HD1 LEU 27 1HD1 LEU 27 -4.743 4.323 2.563 211 2HD1 LEU 27 2HD1 LEU 27 -4.733 2.586 2.258 212 3HD1 LEU 27 3HD1 LEU 27 -5.993 3.295 3.267 213 1HD2 LEU 27 1HD2 LEU 27 -4.702 4.745 0.130 214 2HD2 LEU 27 2HD2 LEU 27 -5.986 4.120 -0.906 215 3HD2 LEU 27 3HD2 LEU 27 -4.766 3.025 -0.256 216 H PHE 28 H PHE 28 -10.066 1.711 1.017 217 HA PHE 28 HA PHE 28 -10.117 -1.008 0.447 218 1HB PHE 28 2HB PHE 28 -11.450 0.258 2.179 219 2HB PHE 28 1HB PHE 28 -12.541 0.741 0.896 220 HD1 PHE 28 1HD PHE 28 -11.346 -2.066 2.923 221 HD2 PHE 28 2HD PHE 28 -14.122 -0.790 -0.041 222 HE1 PHE 28 1HE PHE 28 -12.642 -4.127 3.259 223 HE2 PHE 28 2HE PHE 28 -15.424 -2.852 0.290 224 HZ PHE 28 HZ PHE 28 -14.685 -4.522 1.942 225 H SER 29 H SER 29 -11.732 1.672 -1.168 226 HA SER 29 HA SER 29 -13.089 0.220 -3.144 227 1HB SER 29 2HB SER 29 -11.978 3.033 -3.267 228 2HB SER 29 1HB SER 29 -13.199 2.369 -4.343 229 HG SER 29 HG SER 29 -13.404 2.820 -1.547 230 H MET 30 H MET 30 -9.796 1.359 -2.950 231 HA MET 30 HA MET 30 -9.205 0.766 -5.711 232 1HB MET 30 2HB MET 30 -7.483 1.617 -3.386 233 2HB MET 30 1HB MET 30 -6.841 1.299 -4.987 234 1HG MET 30 2HG MET 30 -8.308 3.058 -5.894 235 2HG MET 30 1HG MET 30 -8.861 3.404 -4.256 236 1HE MET 30 1HE MET 30 -5.774 3.411 -6.702 237 2HE MET 30 2HE MET 30 -5.233 2.394 -5.365 238 3HE MET 30 3HE MET 30 -4.489 3.969 -5.630 239 H GLY 31 H GLY 31 -9.416 -1.032 -2.869 240 1HA GLY 31 2HA GLY 31 -9.202 -3.388 -2.825 241 2HA GLY 31 1HA GLY 31 -8.091 -3.290 -4.187 242 H LEU 32 H LEU 32 -7.435 -0.977 -1.828 243 HA LEU 32 HA LEU 32 -5.070 -2.476 -1.004 244 1HB LEU 32 2HB LEU 32 -5.829 0.414 -0.543 245 2HB LEU 32 1HB LEU 32 -4.300 -0.319 -0.092 246 HG LEU 32 HG LEU 32 -5.327 0.035 -2.909 247 1HD1 LEU 32 1HD1 LEU 32 -3.100 1.411 -1.414 248 2HD1 LEU 32 2HD1 LEU 32 -4.631 2.133 -1.909 249 3HD1 LEU 32 3HD1 LEU 32 -3.466 1.616 -3.128 250 1HD2 LEU 32 1HD2 LEU 32 -3.996 -1.996 -2.686 251 2HD2 LEU 32 2HD2 LEU 32 -2.700 -1.070 -1.925 252 3HD2 LEU 32 3HD2 LEU 32 -3.135 -0.765 -3.608 253 H LEU 33 H LEU 33 -5.892 -3.922 0.445 254 HA LEU 33 HA LEU 33 -6.720 -2.848 3.016 255 1HB LEU 33 2HB LEU 33 -8.548 -4.679 3.026 256 2HB LEU 33 1HB LEU 33 -8.865 -3.168 2.199 257 HG LEU 33 HG LEU 33 -8.176 -4.360 0.054 258 1HD1 LEU 33 1HD1 LEU 33 -8.375 -6.790 0.037 259 2HD1 LEU 33 2HD1 LEU 33 -8.553 -6.793 1.792 260 3HD1 LEU 33 3HD1 LEU 33 -7.038 -6.264 1.059 261 1HD2 LEU 33 1HD2 LEU 33 -10.379 -5.421 -0.192 262 2HD2 LEU 33 2HD2 LEU 33 -10.476 -3.824 0.551 263 3HD2 LEU 33 3HD2 LEU 33 -10.627 -5.272 1.548 264 HA PRO 34 HA PRO 34 -4.312 -6.098 4.812 265 1HB PRO 34 2HB PRO 34 -6.088 -7.133 6.672 266 2HB PRO 34 1HB PRO 34 -5.059 -5.721 6.927 267 1HG PRO 34 2HG PRO 34 -7.938 -5.856 6.152 268 2HG PRO 34 1HG PRO 34 -7.117 -4.723 7.242 269 1HD PRO 34 2HD PRO 34 -7.804 -4.018 4.750 270 2HD PRO 34 1HD PRO 34 -6.301 -3.438 5.497 271 H GLY 35 H GLY 35 -3.844 -8.042 4.053 272 1HA GLY 35 2HA GLY 35 -4.475 -10.374 3.743 273 2HA GLY 35 1HA GLY 35 -6.066 -9.812 3.245 274 H ALA 36 H ALA 36 -4.413 -7.579 1.812 275 HA ALA 36 HA ALA 36 -4.169 -9.054 -0.672 276 1HB ALA 36 1HB ALA 36 -5.486 -6.985 -0.656 277 2HB ALA 36 2HB ALA 36 -4.087 -6.857 -1.722 278 3HB ALA 36 3HB ALA 36 -4.058 -6.086 -0.135 279 H ALA 37 H ALA 37 -2.360 -7.894 -2.066 280 HA ALA 37 HA ALA 37 0.122 -7.519 -0.647 281 1HB ALA 37 1HB ALA 37 1.279 -9.401 -1.729 282 2HB ALA 37 2HB ALA 37 -0.259 -9.945 -2.404 283 3HB ALA 37 3HB ALA 37 -0.014 -9.945 -0.658 284 H LEU 38 H LEU 38 1.709 -6.586 -1.903 285 HA LEU 38 HA LEU 38 1.088 -6.098 -4.744 286 1HB LEU 38 2HB LEU 38 2.240 -4.056 -2.838 287 2HB LEU 38 1HB LEU 38 1.900 -3.811 -4.534 288 HG LEU 38 HG LEU 38 -0.221 -4.357 -2.457 289 1HD1 LEU 38 1HD1 LEU 38 -0.751 -1.985 -2.625 290 2HD1 LEU 38 2HD1 LEU 38 0.621 -1.749 -3.711 291 3HD1 LEU 38 3HD1 LEU 38 0.894 -2.226 -2.035 292 1HD2 LEU 38 1HD2 LEU 38 -1.753 -3.588 -4.210 293 2HD2 LEU 38 2HD2 LEU 38 -0.862 -5.021 -4.716 294 3HD2 LEU 38 3HD2 LEU 38 -0.396 -3.433 -5.326 295 H ARG 39 H ARG 39 2.755 -6.429 -6.070 296 HA ARG 39 HA ARG 39 5.344 -7.093 -4.863 297 1HB ARG 39 2HB ARG 39 4.319 -8.803 -6.311 298 2HB ARG 39 1HB ARG 39 4.311 -7.661 -7.647 299 1HG ARG 39 2HG ARG 39 6.742 -7.597 -7.636 300 2HG ARG 39 1HG ARG 39 6.773 -8.693 -6.251 301 1HD ARG 39 2HD ARG 39 5.620 -10.394 -7.610 302 2HD ARG 39 1HD ARG 39 5.669 -9.300 -8.988 303 HE ARG 39 HE ARG 39 8.283 -9.631 -8.067 304 1HH1 ARG 39 1HH1 ARG 39 5.732 -11.539 -9.516 305 2HH1 ARG 39 2HH1 ARG 39 6.825 -12.612 -10.335 306 1HH2 ARG 39 1HH2 ARG 39 9.730 -11.070 -9.127 307 2HH2 ARG 39 2HH2 ARG 39 9.090 -12.346 -10.113 308 H VAL 40 H VAL 40 7.048 -5.778 -5.108 309 HA VAL 40 HA VAL 40 6.732 -3.233 -6.343 310 HB VAL 40 HB VAL 40 8.293 -3.839 -4.390 311 1HG1 VAL 40 1HG1 VAL 40 9.444 -5.688 -5.453 312 2HG1 VAL 40 2HG1 VAL 40 10.557 -4.445 -4.881 313 3HG1 VAL 40 3HG1 VAL 40 10.174 -4.567 -6.601 314 1HG2 VAL 40 1HG2 VAL 40 9.868 -2.058 -4.959 315 2HG2 VAL 40 2HG2 VAL 40 8.214 -1.625 -5.386 316 3HG2 VAL 40 3HG2 VAL 40 9.342 -2.136 -6.640 317 H VAL 41 H VAL 41 6.767 -2.805 -8.396 318 HA VAL 41 HA VAL 41 8.264 -4.523 -10.211 319 HB VAL 41 HB VAL 41 6.564 -2.113 -10.881 320 1HG1 VAL 41 1HG1 VAL 41 7.661 -4.321 -12.624 321 2HG1 VAL 41 2HG1 VAL 41 8.214 -2.648 -12.605 322 3HG1 VAL 41 3HG1 VAL 41 6.585 -3.032 -13.157 323 1HG2 VAL 41 1HG2 VAL 41 5.222 -3.872 -9.839 324 2HG2 VAL 41 2HG2 VAL 41 5.872 -5.048 -10.982 325 3HG2 VAL 41 3HG2 VAL 41 4.854 -3.730 -11.559 326 H ARG 42 H ARG 42 8.019 -1.003 -9.545 327 HA ARG 42 HA ARG 42 10.894 -0.773 -9.671 328 1HB ARG 42 2HB ARG 42 9.193 0.429 -11.855 329 2HB ARG 42 1HB ARG 42 10.786 1.053 -11.453 330 1HG ARG 42 2HG ARG 42 11.624 -1.323 -11.854 331 2HG ARG 42 1HG ARG 42 10.058 -1.609 -12.615 332 1HD ARG 42 2HD ARG 42 12.048 0.515 -13.404 333 2HD ARG 42 1HD ARG 42 11.772 -1.003 -14.252 334 HE ARG 42 HE ARG 42 9.328 0.081 -14.295 335 1HH1 ARG 42 1HH1 ARG 42 12.468 1.487 -14.976 336 2HH1 ARG 42 2HH1 ARG 42 11.866 2.554 -16.209 337 1HH2 ARG 42 1HH2 ARG 42 8.527 1.506 -15.912 338 2HH2 ARG 42 2HH2 ARG 42 9.627 2.590 -16.720 339 H ILE 43 H ILE 43 11.690 1.327 -9.137 340 HA ILE 43 HA ILE 43 9.710 3.262 -8.096 341 HB ILE 43 HB ILE 43 12.380 2.537 -6.841 342 1HG1 ILE 43 2HG1 ILE 43 9.567 2.230 -5.759 343 2HG1 ILE 43 1HG1 ILE 43 10.562 0.919 -6.385 344 1HG2 ILE 43 1HG2 ILE 43 10.377 4.642 -6.016 345 2HG2 ILE 43 2HG2 ILE 43 11.980 4.933 -6.690 346 3HG2 ILE 43 3HG2 ILE 43 11.816 4.180 -5.106 347 1HD1 ILE 43 1HD1 ILE 43 12.177 1.283 -4.604 348 2HD1 ILE 43 2HD1 ILE 43 10.566 0.971 -3.957 349 3HD1 ILE 43 3HD1 ILE 43 11.203 2.615 -3.981 350 H ALA 44 H ALA 44 10.147 5.376 -8.772 351 HA ALA 44 HA ALA 44 11.928 5.698 -10.978 352 1HB ALA 44 1HB ALA 44 10.367 7.780 -9.469 353 2HB ALA 44 2HB ALA 44 9.776 6.853 -10.852 354 3HB ALA 44 3HB ALA 44 11.114 7.987 -11.050 355 HA PRO 45 HA PRO 45 15.668 7.142 -9.160 356 1HB PRO 45 2HB PRO 45 15.776 9.251 -11.220 357 2HB PRO 45 1HB PRO 45 16.895 7.919 -10.914 358 1HG PRO 45 2HG PRO 45 15.270 7.895 -13.039 359 2HG PRO 45 1HG PRO 45 15.649 6.411 -12.147 360 1HD PRO 45 2HD PRO 45 13.187 8.110 -12.039 361 2HD PRO 45 1HD PRO 45 13.337 6.341 -12.044 362 H LEU 46 H LEU 46 13.067 9.393 -9.670 363 HA LEU 46 HA LEU 46 13.891 11.761 -8.564 364 1HB LEU 46 2HB LEU 46 11.549 11.067 -9.334 365 2HB LEU 46 1HB LEU 46 11.332 10.383 -7.746 366 HG LEU 46 HG LEU 46 12.021 13.292 -8.097 367 1HD1 LEU 46 1HD1 LEU 46 9.271 12.060 -8.055 368 2HD1 LEU 46 2HD1 LEU 46 10.030 12.864 -9.429 369 3HD1 LEU 46 3HD1 LEU 46 9.636 13.782 -7.979 370 1HD2 LEU 46 1HD2 LEU 46 10.589 11.768 -5.921 371 2HD2 LEU 46 2HD2 LEU 46 10.903 13.503 -5.936 372 3HD2 LEU 46 3HD2 LEU 46 12.248 12.366 -5.850 373 H GLY 47 H GLY 47 12.853 8.864 -6.887 374 1HA GLY 47 2HA GLY 47 14.321 8.732 -4.689 375 2HA GLY 47 1HA GLY 47 13.266 10.088 -4.294 376 H ASP 48 H ASP 48 10.898 9.394 -5.407 377 HA ASP 48 HA ASP 48 10.203 6.677 -5.090 378 1HB ASP 48 2HB ASP 48 10.482 6.978 -2.785 379 2HB ASP 48 1HB ASP 48 9.744 8.563 -2.807 380 HA PRO 49 HA PRO 49 6.138 7.203 -5.821 381 1HB PRO 49 2HB PRO 49 5.923 6.279 -8.341 382 2HB PRO 49 1HB PRO 49 6.108 8.008 -8.031 383 1HG PRO 49 2HG PRO 49 7.982 6.175 -9.279 384 2HG PRO 49 1HG PRO 49 8.087 7.939 -9.135 385 1HD PRO 49 2HD PRO 49 9.296 5.834 -7.422 386 2HD PRO 49 1HD PRO 49 9.797 7.525 -7.656 387 H ILE 50 H ILE 50 5.019 4.975 -6.697 388 HA ILE 50 HA ILE 50 6.990 2.822 -6.473 389 HB ILE 50 HB ILE 50 4.438 2.852 -4.829 390 1HG1 ILE 50 2HG1 ILE 50 7.335 3.093 -3.976 391 2HG1 ILE 50 1HG1 ILE 50 6.139 4.382 -3.925 392 1HG2 ILE 50 1HG2 ILE 50 6.680 0.838 -4.965 393 2HG2 ILE 50 2HG2 ILE 50 5.042 0.619 -5.582 394 3HG2 ILE 50 3HG2 ILE 50 5.318 0.785 -3.847 395 1HD1 ILE 50 1HD1 ILE 50 6.045 1.836 -2.330 396 2HD1 ILE 50 2HD1 ILE 50 4.875 3.151 -2.258 397 3HD1 ILE 50 3HD1 ILE 50 6.534 3.419 -1.728 398 H GLN 51 H GLN 51 6.817 1.641 -8.164 399 HA GLN 51 HA GLN 51 4.241 1.245 -9.497 400 1HB GLN 51 2HB GLN 51 6.184 1.871 -10.875 401 2HB GLN 51 1HB GLN 51 7.064 0.477 -10.280 402 1HG GLN 51 2HG GLN 51 5.716 -1.025 -11.469 403 2HG GLN 51 1HG GLN 51 4.480 0.197 -11.775 404 1HE2 GLN 51 1HE2 GLN 51 4.769 1.676 -13.391 405 2HE2 GLN 51 2HE2 GLN 51 5.995 1.516 -14.608 406 H VAL 52 H VAL 52 3.094 -0.531 -8.939 407 HA VAL 52 HA VAL 52 4.576 -2.915 -8.082 408 HB VAL 52 HB VAL 52 2.859 -3.319 -6.311 409 1HG1 VAL 52 1HG1 VAL 52 5.065 -2.563 -5.703 410 2HG1 VAL 52 2HG1 VAL 52 3.865 -1.784 -4.668 411 3HG1 VAL 52 3HG1 VAL 52 4.603 -0.887 -5.995 412 1HG2 VAL 52 1HG2 VAL 52 2.182 -0.419 -6.784 413 2HG2 VAL 52 2HG2 VAL 52 1.571 -1.426 -5.469 414 3HG2 VAL 52 3HG2 VAL 52 1.138 -1.797 -7.138 415 H GLU 53 H GLU 53 3.252 -4.841 -7.956 416 HA GLU 53 HA GLU 53 1.081 -4.872 -9.951 417 1HB GLU 53 2HB GLU 53 3.027 -6.219 -10.602 418 2HB GLU 53 1HB GLU 53 2.970 -7.073 -9.066 419 1HG GLU 53 2HG GLU 53 0.616 -7.790 -9.774 420 2HG GLU 53 1HG GLU 53 1.085 -7.253 -11.387 421 H THR 54 H THR 54 -0.920 -5.323 -9.159 422 HA THR 54 HA THR 54 -1.153 -6.091 -6.376 423 HB THR 54 HB THR 54 -2.697 -4.412 -7.287 424 HG1 THR 54 1HG THR 54 -3.342 -5.948 -5.570 425 1HG2 THR 54 1HG2 THR 54 -3.770 -6.672 -8.975 426 2HG2 THR 54 2HG2 THR 54 -2.921 -5.242 -9.562 427 3HG2 THR 54 3HG2 THR 54 -4.504 -5.073 -8.806 428 H ARG 55 H ARG 55 -1.399 -7.520 -9.491 429 HA ARG 55 HA ARG 55 -0.945 -10.118 -8.778 430 1HB ARG 55 2HB ARG 55 -3.527 -9.531 -7.967 431 2HB ARG 55 1HB ARG 55 -3.772 -10.264 -9.544 432 1HG ARG 55 2HG ARG 55 -2.444 -11.474 -7.132 433 2HG ARG 55 1HG ARG 55 -3.924 -11.996 -7.936 434 1HD ARG 55 2HD ARG 55 -2.571 -12.525 -9.951 435 2HD ARG 55 1HD ARG 55 -1.119 -12.128 -9.034 436 HE ARG 55 HE ARG 55 -2.851 -14.158 -7.878 437 1HH1 ARG 55 1HH1 ARG 55 0.030 -13.458 -9.763 438 2HH1 ARG 55 2HH1 ARG 55 0.667 -15.065 -9.610 439 1HH2 ARG 55 1HH2 ARG 55 -2.006 -16.259 -7.661 440 2HH2 ARG 55 2HH2 ARG 55 -0.483 -16.661 -8.398 441 H GLN 56 H GLN 56 -2.939 -8.088 -10.877 442 HA GLN 56 HA GLN 56 -1.678 -9.392 -13.182 443 1HB GLN 56 2HB GLN 56 -3.824 -9.114 -14.424 444 2HB GLN 56 1HB GLN 56 -3.900 -10.262 -13.098 445 1HG GLN 56 2HG GLN 56 -5.041 -8.663 -11.711 446 2HG GLN 56 1HG GLN 56 -4.865 -7.418 -12.947 447 1HE2 GLN 56 1HE2 GLN 56 -7.096 -7.119 -13.049 448 2HE2 GLN 56 2HE2 GLN 56 -8.134 -8.263 -13.849 449 H THR 57 H THR 57 -3.120 -6.460 -11.864 450 HA THR 57 HA THR 57 -2.084 -4.986 -14.181 451 HB THR 57 HB THR 57 -4.520 -4.742 -13.736 452 HG1 THR 57 1HG THR 57 -3.988 -2.194 -13.289 453 1HG2 THR 57 1HG2 THR 57 -5.270 -3.411 -11.829 454 2HG2 THR 57 2HG2 THR 57 -3.618 -3.342 -11.219 455 3HG2 THR 57 3HG2 THR 57 -4.468 -4.887 -11.290 456 H SER 58 H SER 58 -1.146 -2.851 -13.752 457 HA SER 58 HA SER 58 0.580 -2.990 -11.386 458 1HB SER 58 2HB SER 58 0.949 -1.356 -13.909 459 2HB SER 58 1HB SER 58 2.142 -1.627 -12.638 460 HG SER 58 HG SER 58 1.574 -3.997 -13.282 461 H LEU 59 H LEU 59 1.108 -1.000 -10.274 462 HA LEU 59 HA LEU 59 -0.839 1.167 -10.605 463 1HB LEU 59 2HB LEU 59 -0.410 -0.528 -8.224 464 2HB LEU 59 1HB LEU 59 -0.563 1.194 -7.931 465 HG LEU 59 HG LEU 59 -2.591 -0.394 -9.478 466 1HD1 LEU 59 1HD1 LEU 59 -2.416 -1.250 -7.183 467 2HD1 LEU 59 2HD1 LEU 59 -3.942 -0.413 -7.456 468 3HD1 LEU 59 3HD1 LEU 59 -2.644 0.385 -6.567 469 1HD2 LEU 59 1HD2 LEU 59 -2.609 1.985 -9.931 470 2HD2 LEU 59 2HD2 LEU 59 -2.664 2.333 -8.201 471 3HD2 LEU 59 3HD2 LEU 59 -4.028 1.533 -8.985 472 H ALA 60 H ALA 60 -0.231 3.140 -9.511 473 HA ALA 60 HA ALA 60 2.593 3.402 -8.763 474 1HB ALA 60 1HB ALA 60 2.820 5.457 -10.088 475 2HB ALA 60 2HB ALA 60 1.197 5.214 -10.739 476 3HB ALA 60 3HB ALA 60 2.482 4.065 -11.118 477 H LEU 61 H LEU 61 2.897 4.829 -7.057 478 HA LEU 61 HA LEU 61 0.843 6.665 -6.273 479 1HB LEU 61 2HB LEU 61 0.247 5.657 -4.157 480 2HB LEU 61 1HB LEU 61 -0.151 4.562 -5.459 481 HG LEU 61 HG LEU 61 2.396 4.252 -3.920 482 1HD1 LEU 61 1HD1 LEU 61 -0.305 3.124 -3.206 483 2HD1 LEU 61 2HD1 LEU 61 0.626 4.289 -2.264 484 3HD1 LEU 61 3HD1 LEU 61 1.226 2.642 -2.475 485 1HD2 LEU 61 1HD2 LEU 61 2.193 2.985 -5.994 486 2HD2 LEU 61 2HD2 LEU 61 0.660 2.307 -5.439 487 3HD2 LEU 61 3HD2 LEU 61 2.159 1.909 -4.596 488 H ARG 62 H ARG 62 1.438 7.410 -3.874 489 HA ARG 62 HA ARG 62 4.346 7.751 -3.910 490 1HB ARG 62 2HB ARG 62 2.133 9.537 -2.961 491 2HB ARG 62 1HB ARG 62 3.809 9.798 -2.485 492 1HG ARG 62 2HG ARG 62 2.850 9.637 -5.321 493 2HG ARG 62 1HG ARG 62 3.117 11.136 -4.433 494 1HD ARG 62 2HD ARG 62 5.445 10.708 -4.242 495 2HD ARG 62 1HD ARG 62 5.247 9.044 -4.794 496 HE ARG 62 HE ARG 62 4.764 9.922 -7.005 497 1HH1 ARG 62 1HH1 ARG 62 6.132 12.176 -4.710 498 2HH1 ARG 62 2HH1 ARG 62 6.815 13.209 -5.932 499 1HH2 ARG 62 1HH2 ARG 62 5.673 11.232 -8.610 500 2HH2 ARG 62 2HH2 ARG 62 6.551 12.666 -8.175 501 H ARG 63 H ARG 63 5.245 8.341 -1.778 502 HA ARG 63 HA ARG 63 5.209 6.039 -0.206 503 1HB ARG 63 2HB ARG 63 6.768 7.209 1.239 504 2HB ARG 63 1HB ARG 63 7.139 7.520 -0.448 505 1HG ARG 63 2HG ARG 63 5.631 9.640 -0.030 506 2HG ARG 63 1HG ARG 63 6.132 9.362 1.640 507 1HD ARG 63 2HD ARG 63 7.700 10.866 0.677 508 2HD ARG 63 1HD ARG 63 8.497 9.300 0.820 509 HE ARG 63 HE ARG 63 7.602 9.162 -1.684 510 1HH1 ARG 63 1HH1 ARG 63 9.366 11.658 0.027 511 2HH1 ARG 63 2HH1 ARG 63 10.003 12.381 -1.422 512 1HH2 ARG 63 1HH2 ARG 63 8.456 10.098 -3.596 513 2HH2 ARG 63 2HH2 ARG 63 9.497 11.487 -3.469 514 H LYS 64 H LYS 64 3.634 9.158 0.327 515 HA LYS 64 HA LYS 64 2.809 8.752 2.976 516 1HB LYS 64 2HB LYS 64 2.590 10.931 1.916 517 2HB LYS 64 1HB LYS 64 1.429 10.285 0.761 518 1HG LYS 64 2HG LYS 64 -0.023 9.712 2.762 519 2HG LYS 64 1HG LYS 64 1.070 10.721 3.709 520 1HD LYS 64 2HD LYS 64 -0.446 11.639 1.270 521 2HD LYS 64 1HD LYS 64 -0.949 11.924 2.936 522 1HE LYS 64 2HE LYS 64 1.098 13.187 3.344 523 2HE LYS 64 1HE LYS 64 1.626 12.880 1.689 524 1HZ LYS 64 1HZ LYS 64 -0.251 14.125 0.868 525 2HZ LYS 64 2HZ LYS 64 0.626 15.078 1.965 526 3HZ LYS 64 3HZ LYS 64 -0.834 14.367 2.444 527 H ASP 65 H ASP 65 1.245 7.931 -0.069 528 HA ASP 65 HA ASP 65 -1.174 6.988 1.055 529 1HB ASP 65 2HB ASP 65 -0.756 7.763 -1.330 530 2HB ASP 65 1HB ASP 65 0.036 6.221 -1.613 531 H LEU 66 H LEU 66 1.843 5.454 0.133 532 HA LEU 66 HA LEU 66 1.013 2.793 0.685 533 1HB LEU 66 2HB LEU 66 3.031 3.560 -0.690 534 2HB LEU 66 1HB LEU 66 3.835 3.829 0.846 535 HG LEU 66 HG LEU 66 3.051 1.312 1.245 536 1HD1 LEU 66 1HD1 LEU 66 3.378 1.552 -1.738 537 2HD1 LEU 66 2HD1 LEU 66 1.926 1.055 -0.863 538 3HD1 LEU 66 3HD1 LEU 66 3.367 0.035 -0.839 539 1HD2 LEU 66 1HD2 LEU 66 5.497 2.131 -0.316 540 2HD2 LEU 66 2HD2 LEU 66 5.287 0.611 0.556 541 3HD2 LEU 66 3HD2 LEU 66 5.333 2.138 1.440 542 H ALA 67 H ALA 67 2.518 5.345 2.558 543 HA ALA 67 HA ALA 67 3.333 3.764 4.749 544 1HB ALA 67 1HB ALA 67 4.306 5.956 4.243 545 2HB ALA 67 2HB ALA 67 3.724 5.857 5.904 546 3HB ALA 67 3HB ALA 67 2.784 6.726 4.691 547 H LEU 68 H LEU 68 0.254 5.138 3.907 548 HA LEU 68 HA LEU 68 -0.765 4.935 6.593 549 1HB LEU 68 2HB LEU 68 -2.153 5.359 3.952 550 2HB LEU 68 1HB LEU 68 -2.985 5.328 5.498 551 HG LEU 68 HG LEU 68 -0.896 7.327 4.616 552 1HD1 LEU 68 1HD1 LEU 68 -2.719 8.940 4.857 553 2HD1 LEU 68 2HD1 LEU 68 -3.827 7.622 5.238 554 3HD1 LEU 68 3HD1 LEU 68 -3.081 7.716 3.642 555 1HD2 LEU 68 1HD2 LEU 68 -1.265 8.425 6.760 556 2HD2 LEU 68 2HD2 LEU 68 -0.630 6.793 6.984 557 3HD2 LEU 68 3HD2 LEU 68 -2.343 7.117 7.251 558 H LEU 69 H LEU 69 -0.165 2.769 4.080 559 HA LEU 69 HA LEU 69 -1.927 0.725 5.220 560 1HB LEU 69 2HB LEU 69 -0.040 0.654 2.856 561 2HB LEU 69 1HB LEU 69 -1.025 -0.696 3.384 562 HG LEU 69 HG LEU 69 -2.167 1.935 2.460 563 1HD1 LEU 69 1HD1 LEU 69 -0.911 0.855 0.656 564 2HD1 LEU 69 2HD1 LEU 69 -2.647 0.818 0.355 565 3HD1 LEU 69 3HD1 LEU 69 -1.819 -0.633 0.920 566 1HD2 LEU 69 1HD2 LEU 69 -4.236 0.663 2.273 567 2HD2 LEU 69 2HD2 LEU 69 -3.615 0.604 3.923 568 3HD2 LEU 69 3HD2 LEU 69 -3.413 -0.784 2.855 569 H THR 70 H THR 70 -1.132 -0.918 6.500 570 HA THR 70 HA THR 70 1.694 -0.809 7.203 571 HB THR 70 HB THR 70 -0.345 -2.769 8.222 572 HG1 THR 70 1HG THR 70 -0.019 -0.084 8.751 573 1HG2 THR 70 1HG2 THR 70 2.266 -1.779 9.366 574 2HG2 THR 70 2HG2 THR 70 1.997 -3.356 8.623 575 3HG2 THR 70 3HG2 THR 70 1.182 -2.941 10.132 576 H LEU 71 H LEU 71 3.085 -1.850 6.013 577 HA LEU 71 HA LEU 71 2.197 -4.234 4.527 578 1HB LEU 71 2HB LEU 71 4.351 -2.263 3.753 579 2HB LEU 71 1HB LEU 71 3.856 -3.664 2.826 580 HG LEU 71 HG LEU 71 2.196 -1.210 3.379 581 1HD1 LEU 71 1HD1 LEU 71 2.391 -0.864 0.972 582 2HD1 LEU 71 2HD1 LEU 71 3.439 -2.277 0.853 583 3HD1 LEU 71 3HD1 LEU 71 3.971 -0.860 1.757 584 1HD2 LEU 71 1HD2 LEU 71 0.553 -2.217 1.876 585 2HD2 LEU 71 2HD2 LEU 71 0.798 -3.204 3.317 586 3HD2 LEU 71 3HD2 LEU 71 1.531 -3.681 1.784 587 H VAL 72 H VAL 72 3.287 -6.055 4.822 588 HA VAL 72 HA VAL 72 6.027 -5.872 5.891 589 HB VAL 72 HB VAL 72 5.697 -8.070 7.003 590 1HG1 VAL 72 1HG1 VAL 72 5.519 -6.033 8.310 591 2HG1 VAL 72 2HG1 VAL 72 4.383 -7.243 8.900 592 3HG1 VAL 72 3HG1 VAL 72 3.809 -5.905 7.909 593 1HG2 VAL 72 1HG2 VAL 72 2.784 -7.646 6.337 594 2HG2 VAL 72 2HG2 VAL 72 3.430 -8.913 7.382 595 3HG2 VAL 72 3HG2 VAL 72 3.831 -8.895 5.663 596 HA PRO 73 HA PRO 73 7.035 -8.028 2.166 597 1HB PRO 73 2HB PRO 73 9.398 -9.156 2.981 598 2HB PRO 73 1HB PRO 73 9.240 -7.477 2.454 599 1HG PRO 73 2HG PRO 73 9.352 -8.595 5.221 600 2HG PRO 73 1HG PRO 73 10.091 -7.120 4.576 601 1HD PRO 73 2HD PRO 73 7.830 -7.084 6.064 602 2HD PRO 73 1HD PRO 73 8.138 -5.907 4.768 603 H LEU 74 H LEU 74 7.345 -10.226 1.395 604 HA LEU 74 HA LEU 74 5.838 -12.203 2.549 605 1HB LEU 74 2HB LEU 74 8.250 -12.453 0.762 606 2HB LEU 74 1HB LEU 74 7.196 -13.789 1.163 607 HG LEU 74 HG LEU 74 6.368 -11.297 -0.317 608 1HD1 LEU 74 1HD1 LEU 74 6.777 -14.120 -1.291 609 2HD1 LEU 74 2HD1 LEU 74 7.822 -12.742 -1.640 610 3HD1 LEU 74 3HD1 LEU 74 6.166 -12.770 -2.249 611 1HD2 LEU 74 1HD2 LEU 74 4.542 -12.206 1.017 612 2HD2 LEU 74 2HD2 LEU 74 4.821 -13.804 0.328 613 3HD2 LEU 74 3HD2 LEU 74 4.261 -12.489 -0.702 614 H ASP 75 H ASP 75 9.173 -11.368 3.240 615 HA ASP 75 HA ASP 75 9.108 -13.316 5.430 616 1HB ASP 75 2HB ASP 75 10.544 -14.218 3.635 617 2HB ASP 75 1HB ASP 75 11.521 -12.753 3.699 Start of MODEL 20 1 HA MET 1 HA MET 1 17.185 1.010 -14.180 2 1HB MET 1 2HB MET 1 17.662 -1.962 -14.474 3 2HB MET 1 1HB MET 1 18.360 -0.751 -15.538 4 1HG MET 1 2HG MET 1 19.536 0.245 -13.647 5 2HG MET 1 1HG MET 1 18.822 -0.953 -12.569 6 1HE MET 1 1HE MET 1 21.886 -1.929 -15.888 7 2HE MET 1 2HE MET 1 21.342 -0.299 -15.496 8 3HE MET 1 3HE MET 1 20.228 -1.443 -16.243 9 H SER 2 H SER 2 17.183 -0.687 -16.677 10 HA SER 2 HA SER 2 14.850 0.465 -17.794 11 1HB SER 2 2HB SER 2 15.597 -0.915 -19.832 12 2HB SER 2 1HB SER 2 16.709 0.314 -19.223 13 HG SER 2 HG SER 2 16.849 -2.495 -19.016 14 H ALA 3 H ALA 3 13.079 -0.390 -16.716 15 HA ALA 3 HA ALA 3 11.217 -1.655 -16.562 16 1HB ALA 3 1HB ALA 3 10.714 -3.300 -18.260 17 2HB ALA 3 2HB ALA 3 12.394 -3.298 -18.798 18 3HB ALA 3 3HB ALA 3 11.401 -1.853 -18.995 19 H LEU 4 H LEU 4 10.474 -3.296 -15.343 20 HA LEU 4 HA LEU 4 10.493 -4.932 -13.804 21 1HB LEU 4 2HB LEU 4 11.052 -6.119 -16.063 22 2HB LEU 4 1HB LEU 4 12.640 -6.334 -15.349 23 HG LEU 4 HG LEU 4 11.488 -7.411 -13.390 24 1HD1 LEU 4 1HD1 LEU 4 9.251 -6.549 -13.779 25 2HD1 LEU 4 2HD1 LEU 4 9.251 -8.312 -13.765 26 3HD1 LEU 4 3HD1 LEU 4 9.159 -7.444 -15.297 27 1HD2 LEU 4 1HD2 LEU 4 11.238 -8.737 -16.083 28 2HD2 LEU 4 2HD2 LEU 4 11.231 -9.566 -14.527 29 3HD2 LEU 4 3HD2 LEU 4 12.678 -8.712 -15.068 30 H GLN 5 H GLN 5 12.954 -6.636 -13.354 31 HA GLN 5 HA GLN 5 14.573 -6.798 -11.795 32 1HB GLN 5 2HB GLN 5 15.775 -5.160 -13.199 33 2HB GLN 5 1HB GLN 5 15.016 -3.850 -12.305 34 1HG GLN 5 2HG GLN 5 16.115 -4.653 -10.251 35 2HG GLN 5 1HG GLN 5 16.929 -5.897 -11.200 36 1HE2 GLN 5 1HE2 GLN 5 18.965 -5.066 -10.653 37 2HE2 GLN 5 2HE2 GLN 5 19.565 -3.609 -11.368 38 HA PRO 6 HA PRO 6 11.893 -5.001 -8.556 39 1HB PRO 6 2HB PRO 6 10.316 -7.099 -8.065 40 2HB PRO 6 1HB PRO 6 10.046 -6.061 -9.467 41 1HG PRO 6 2HG PRO 6 11.104 -8.812 -9.346 42 2HG PRO 6 1HG PRO 6 10.307 -7.970 -10.685 43 1HD PRO 6 2HD PRO 6 13.131 -8.348 -10.228 44 2HD PRO 6 1HD PRO 6 12.332 -7.567 -11.607 45 H SER 7 H SER 7 11.612 -5.654 -6.275 46 HA SER 7 HA SER 7 13.827 -7.284 -5.335 47 1HB SER 7 2HB SER 7 13.438 -5.102 -4.248 48 2HB SER 7 1HB SER 7 11.828 -5.633 -3.763 49 HG SER 7 HG SER 7 13.831 -5.846 -2.276 50 H ARG 8 H ARG 8 10.692 -7.050 -3.737 51 HA ARG 8 HA ARG 8 9.905 -9.724 -4.441 52 1HB ARG 8 2HB ARG 8 10.972 -9.048 -1.707 53 2HB ARG 8 1HB ARG 8 9.737 -10.282 -1.901 54 1HG ARG 8 2HG ARG 8 11.139 -11.648 -3.191 55 2HG ARG 8 1HG ARG 8 12.284 -10.341 -3.470 56 1HD ARG 8 2HD ARG 8 13.305 -11.768 -1.897 57 2HD ARG 8 1HD ARG 8 12.738 -10.373 -0.986 58 HE ARG 8 HE ARG 8 11.536 -11.821 0.275 59 1HH1 ARG 8 1HH1 ARG 8 11.830 -13.248 -2.913 60 2HH1 ARG 8 2HH1 ARG 8 11.120 -14.758 -2.443 61 1HH2 ARG 8 1HH2 ARG 8 10.638 -13.817 0.912 62 2HH2 ARG 8 2HH2 ARG 8 10.426 -15.079 -0.276 63 H SER 9 H SER 9 7.728 -10.175 -3.720 64 HA SER 9 HA SER 9 6.077 -7.908 -3.922 65 1HB SER 9 2HB SER 9 5.380 -10.711 -3.026 66 2HB SER 9 1HB SER 9 4.216 -9.471 -3.494 67 HG SER 9 HG SER 9 4.824 -11.012 -5.168 68 H TYR 10 H TYR 10 4.725 -6.912 -2.453 69 HA TYR 10 HA TYR 10 5.523 -7.268 0.367 70 1HB TYR 10 2HB TYR 10 4.596 -4.693 -0.928 71 2HB TYR 10 1HB TYR 10 5.238 -4.890 0.698 72 HD1 TYR 10 1HD TYR 10 7.693 -5.780 0.851 73 HD2 TYR 10 2HD TYR 10 6.000 -4.047 -2.648 74 HE1 TYR 10 1HE TYR 10 9.952 -5.291 0.008 75 HE2 TYR 10 2HE TYR 10 8.252 -3.555 -3.505 76 HH TYR 10 HH TYR 10 10.564 -3.196 -2.535 77 H ARG 11 H ARG 11 3.941 -7.761 1.724 78 HA ARG 11 HA ARG 11 1.199 -7.784 0.720 79 1HB ARG 11 2HB ARG 11 0.796 -9.225 2.761 80 2HB ARG 11 1HB ARG 11 1.861 -9.906 1.541 81 1HG ARG 11 2HG ARG 11 3.801 -9.173 2.882 82 2HG ARG 11 1HG ARG 11 2.688 -8.614 4.131 83 1HD ARG 11 2HD ARG 11 1.868 -10.854 4.467 84 2HD ARG 11 1HD ARG 11 2.832 -11.446 3.114 85 HE ARG 11 HE ARG 11 4.697 -10.379 4.747 86 1HH1 ARG 11 1HH1 ARG 11 2.105 -12.675 5.273 87 2HH1 ARG 11 2HH1 ARG 11 2.929 -13.505 6.561 88 1HH2 ARG 11 1HH2 ARG 11 5.794 -11.501 6.439 89 2HH2 ARG 11 2HH2 ARG 11 5.008 -12.844 7.208 90 H ILE 12 H ILE 12 -0.536 -7.085 2.051 91 HA ILE 12 HA ILE 12 0.189 -4.663 3.534 92 HB ILE 12 HB ILE 12 -2.606 -5.559 2.800 93 1HG1 ILE 12 2HG1 ILE 12 -0.761 -3.808 1.159 94 2HG1 ILE 12 1HG1 ILE 12 -1.207 -5.462 0.757 95 1HG2 ILE 12 1HG2 ILE 12 -2.499 -3.808 4.461 96 2HG2 ILE 12 2HG2 ILE 12 -3.089 -3.140 2.940 97 3HG2 ILE 12 3HG2 ILE 12 -1.421 -2.858 3.439 98 1HD1 ILE 12 1HD1 ILE 12 -2.483 -3.869 -0.545 99 2HD1 ILE 12 2HD1 ILE 12 -3.081 -3.116 0.934 100 3HD1 ILE 12 3HD1 ILE 12 -3.540 -4.773 0.540 101 H THR 13 H THR 13 0.287 -4.754 5.687 102 HA THR 13 HA THR 13 -1.080 -6.928 7.075 103 HB THR 13 HB THR 13 0.190 -5.913 9.088 104 HG1 THR 13 1HG THR 13 1.997 -4.678 8.509 105 1HG2 THR 13 1HG2 THR 13 0.754 -8.049 8.031 106 2HG2 THR 13 2HG2 THR 13 2.208 -7.169 8.500 107 3HG2 THR 13 3HG2 THR 13 1.703 -7.200 6.810 108 H GLY 14 H GLY 14 -1.436 -3.568 6.457 109 1HA GLY 14 2HA GLY 14 -4.002 -3.346 7.330 110 2HA GLY 14 1HA GLY 14 -3.056 -3.033 8.780 111 H TYR 15 H TYR 15 -4.096 -0.934 8.692 112 HA TYR 15 HA TYR 15 -2.812 0.883 6.766 113 1HB TYR 15 2HB TYR 15 -5.276 1.357 8.462 114 2HB TYR 15 1HB TYR 15 -4.607 2.473 7.281 115 HD1 TYR 15 1HD TYR 15 -5.139 2.283 4.977 116 HD2 TYR 15 2HD TYR 15 -6.310 -0.787 7.681 117 HE1 TYR 15 1HE TYR 15 -6.572 1.302 3.239 118 HE2 TYR 15 2HE TYR 15 -7.744 -1.775 5.949 119 HH TYR 15 HH TYR 15 -7.535 -0.946 2.705 120 H SER 16 H SER 16 -1.978 2.892 7.598 121 HA SER 16 HA SER 16 -0.781 2.695 10.175 122 1HB SER 16 2HB SER 16 -1.028 5.032 8.268 123 2HB SER 16 1HB SER 16 0.037 4.958 9.662 124 HG SER 16 HG SER 16 0.744 4.290 7.341 125 HA PRO 17 HA PRO 17 -4.269 4.007 12.537 126 1HB PRO 17 2HB PRO 17 -2.954 4.876 14.778 127 2HB PRO 17 1HB PRO 17 -3.258 3.176 14.399 128 1HG PRO 17 2HG PRO 17 -0.781 4.803 13.974 129 2HG PRO 17 1HG PRO 17 -0.945 3.140 14.571 130 1HD PRO 17 2HD PRO 17 -0.226 3.667 12.035 131 2HD PRO 17 1HD PRO 17 -1.242 2.272 12.449 132 H ALA 18 H ALA 18 -2.167 6.139 11.151 133 HA ALA 18 HA ALA 18 -3.257 8.519 12.442 134 1HB ALA 18 1HB ALA 18 -1.662 9.757 11.056 135 2HB ALA 18 2HB ALA 18 -1.183 8.254 10.266 136 3HB ALA 18 3HB ALA 18 -0.865 8.489 11.985 137 H ILE 19 H ILE 19 -4.057 6.463 9.915 138 HA ILE 19 HA ILE 19 -5.059 8.516 8.129 139 HB ILE 19 HB ILE 19 -4.108 6.310 7.309 140 1HG1 ILE 19 2HG1 ILE 19 -6.919 7.035 6.431 141 2HG1 ILE 19 1HG1 ILE 19 -5.436 7.814 5.879 142 1HG2 ILE 19 1HG2 ILE 19 -5.639 4.390 7.239 143 2HG2 ILE 19 2HG2 ILE 19 -6.772 5.266 8.268 144 3HG2 ILE 19 3HG2 ILE 19 -5.185 4.811 8.892 145 1HD1 ILE 19 1HD1 ILE 19 -4.718 5.722 4.863 146 2HD1 ILE 19 2HD1 ILE 19 -6.284 6.236 4.240 147 3HD1 ILE 19 3HD1 ILE 19 -6.194 4.934 5.425 148 H SER 20 H SER 20 -7.189 9.035 7.778 149 HA SER 20 HA SER 20 -9.040 8.404 9.903 150 1HB SER 20 2HB SER 20 -9.389 10.123 7.435 151 2HB SER 20 1HB SER 20 -10.494 10.054 8.809 152 HG SER 20 HG SER 20 -9.124 11.182 9.998 153 H ASN 21 H ASN 21 -11.275 7.690 9.402 154 HA ASN 21 HA ASN 21 -11.132 5.180 8.124 155 1HB ASN 21 2HB ASN 21 -13.560 6.719 9.060 156 2HB ASN 21 1HB ASN 21 -13.569 5.030 8.567 157 1HD2 ASN 21 1HD2 ASN 21 -12.626 3.479 9.911 158 2HD2 ASN 21 2HD2 ASN 21 -12.217 3.819 11.560 159 H GLY 22 H GLY 22 -12.443 8.289 7.096 160 1HA GLY 22 2HA GLY 22 -13.889 7.338 4.863 161 2HA GLY 22 1HA GLY 22 -13.310 8.977 5.075 162 H TYR 23 H TYR 23 -10.544 8.495 5.143 163 HA TYR 23 HA TYR 23 -10.035 8.147 2.346 164 1HB TYR 23 2HB TYR 23 -8.783 9.654 4.108 165 2HB TYR 23 1HB TYR 23 -7.827 8.199 4.377 166 HD1 TYR 23 1HD TYR 23 -6.519 7.228 2.494 167 HD2 TYR 23 2HD TYR 23 -8.498 10.973 2.153 168 HE1 TYR 23 1HE TYR 23 -5.167 7.756 0.512 169 HE2 TYR 23 2HE TYR 23 -7.152 11.515 0.169 170 HH TYR 23 HH TYR 23 -5.025 10.875 -0.857 171 H ARG 24 H ARG 24 -9.595 6.230 5.248 172 HA ARG 24 HA ARG 24 -8.217 4.023 4.209 173 1HB ARG 24 2HB ARG 24 -8.799 4.433 6.609 174 2HB ARG 24 1HB ARG 24 -10.469 4.055 6.239 175 1HG ARG 24 2HG ARG 24 -9.735 1.790 5.542 176 2HG ARG 24 1HG ARG 24 -8.116 2.190 6.122 177 1HD ARG 24 2HD ARG 24 -9.102 2.675 8.354 178 2HD ARG 24 1HD ARG 24 -10.658 2.111 7.748 179 HE ARG 24 HE ARG 24 -8.260 0.410 8.027 180 1HH1 ARG 24 1HH1 ARG 24 -11.732 0.835 8.021 181 2HH1 ARG 24 2HH1 ARG 24 -12.069 -0.799 8.505 182 1HH2 ARG 24 1HH2 ARG 24 -8.686 -1.735 8.709 183 2HH2 ARG 24 2HH2 ARG 24 -10.336 -2.250 8.934 184 H GLN 25 H GLN 25 -11.579 4.971 4.075 185 HA GLN 25 HA GLN 25 -12.603 2.649 2.891 186 1HB GLN 25 2HB GLN 25 -13.507 5.494 3.065 187 2HB GLN 25 1HB GLN 25 -14.394 4.354 2.080 188 1HG GLN 25 2HG GLN 25 -14.748 2.926 4.020 189 2HG GLN 25 1HG GLN 25 -13.821 4.048 5.013 190 1HE2 GLN 25 1HE2 GLN 25 -14.947 6.387 3.664 191 2HE2 GLN 25 2HE2 GLN 25 -16.556 6.554 4.274 192 H ARG 26 H ARG 26 -11.036 5.488 1.502 193 HA ARG 26 HA ARG 26 -11.661 4.904 -1.203 194 1HB ARG 26 2HB ARG 26 -10.752 7.105 -0.312 195 2HB ARG 26 1HB ARG 26 -9.179 6.330 -0.211 196 1HG ARG 26 2HG ARG 26 -10.648 6.309 -2.804 197 2HG ARG 26 1HG ARG 26 -9.835 7.781 -2.284 198 1HD ARG 26 2HD ARG 26 -8.418 5.131 -2.365 199 2HD ARG 26 1HD ARG 26 -8.548 6.152 -3.794 200 HE ARG 26 HE ARG 26 -7.550 7.813 -1.870 201 1HH1 ARG 26 1HH1 ARG 26 -6.547 4.773 -3.291 202 2HH1 ARG 26 2HH1 ARG 26 -4.856 5.034 -2.982 203 1HH2 ARG 26 1HH2 ARG 26 -5.312 8.167 -1.474 204 2HH2 ARG 26 2HH2 ARG 26 -4.149 6.946 -1.930 205 H LEU 27 H LEU 27 -9.028 4.032 0.933 206 HA LEU 27 HA LEU 27 -7.516 2.555 -0.976 207 1HB LEU 27 2HB LEU 27 -7.610 2.487 2.043 208 2HB LEU 27 1HB LEU 27 -6.432 1.609 1.098 209 HG LEU 27 HG LEU 27 -6.741 4.609 1.110 210 1HD1 LEU 27 1HD1 LEU 27 -4.677 2.862 2.437 211 2HD1 LEU 27 2HD1 LEU 27 -5.933 3.793 3.252 212 3HD1 LEU 27 3HD1 LEU 27 -4.653 4.623 2.368 213 1HD2 LEU 27 1HD2 LEU 27 -4.595 4.588 -0.071 214 2HD2 LEU 27 2HD2 LEU 27 -5.865 3.779 -0.988 215 3HD2 LEU 27 3HD2 LEU 27 -4.655 2.825 -0.131 216 H PHE 28 H PHE 28 -9.871 1.675 1.484 217 HA PHE 28 HA PHE 28 -9.842 -1.104 1.200 218 1HB PHE 28 2HB PHE 28 -10.983 0.331 2.971 219 2HB PHE 28 1HB PHE 28 -12.289 0.548 1.820 220 HD1 PHE 28 1HD PHE 28 -13.864 -1.192 1.386 221 HD2 PHE 28 2HD PHE 28 -10.525 -1.885 3.935 222 HE1 PHE 28 1HE PHE 28 -14.897 -3.283 2.163 223 HE2 PHE 28 2HE PHE 28 -11.553 -3.982 4.715 224 HZ PHE 28 HZ PHE 28 -13.742 -4.681 3.828 225 H SER 29 H SER 29 -11.792 1.354 -0.430 226 HA SER 29 HA SER 29 -13.360 -0.391 -1.989 227 1HB SER 29 2HB SER 29 -12.504 2.457 -2.558 228 2HB SER 29 1HB SER 29 -13.803 1.602 -3.385 229 HG SER 29 HG SER 29 -13.663 2.410 -0.674 230 H MET 30 H MET 30 -10.178 0.961 -2.448 231 HA MET 30 HA MET 30 -9.920 0.090 -5.174 232 1HB MET 30 2HB MET 30 -8.011 1.204 -3.143 233 2HB MET 30 1HB MET 30 -7.435 0.596 -4.684 234 1HG MET 30 2HG MET 30 -8.931 2.199 -5.830 235 2HG MET 30 1HG MET 30 -9.386 2.844 -4.255 236 1HE MET 30 1HE MET 30 -6.440 2.309 -6.804 237 2HE MET 30 2HE MET 30 -5.843 1.548 -5.330 238 3HE MET 30 3HE MET 30 -5.088 3.026 -5.926 239 H GLY 31 H GLY 31 -9.644 -1.404 -2.140 240 1HA GLY 31 2HA GLY 31 -9.493 -3.754 -1.905 241 2HA GLY 31 1HA GLY 31 -8.660 -3.832 -3.451 242 H LEU 32 H LEU 32 -7.582 -1.367 -1.371 243 HA LEU 32 HA LEU 32 -5.115 -2.858 -0.894 244 1HB LEU 32 2HB LEU 32 -5.777 0.052 -0.413 245 2HB LEU 32 1HB LEU 32 -4.199 -0.681 -0.185 246 HG LEU 32 HG LEU 32 -5.644 -0.467 -2.831 247 1HD1 LEU 32 1HD1 LEU 32 -3.918 1.181 -3.388 248 2HD1 LEU 32 2HD1 LEU 32 -3.307 1.088 -1.736 249 3HD1 LEU 32 3HD1 LEU 32 -4.929 1.710 -2.041 250 1HD2 LEU 32 1HD2 LEU 32 -3.516 -1.210 -3.782 251 2HD2 LEU 32 2HD2 LEU 32 -4.192 -2.424 -2.696 252 3HD2 LEU 32 3HD2 LEU 32 -2.857 -1.404 -2.159 253 H LEU 33 H LEU 33 -6.041 -4.268 0.654 254 HA LEU 33 HA LEU 33 -6.486 -3.046 3.279 255 1HB LEU 33 2HB LEU 33 -8.290 -4.855 3.577 256 2HB LEU 33 1HB LEU 33 -8.683 -3.427 2.644 257 HG LEU 33 HG LEU 33 -8.135 -4.820 0.570 258 1HD1 LEU 33 1HD1 LEU 33 -6.958 -6.639 1.681 259 2HD1 LEU 33 2HD1 LEU 33 -8.370 -7.233 0.805 260 3HD1 LEU 33 3HD1 LEU 33 -8.426 -7.063 2.560 261 1HD2 LEU 33 1HD2 LEU 33 -10.360 -5.804 0.531 262 2HD2 LEU 33 2HD2 LEU 33 -10.398 -4.188 1.235 263 3HD2 LEU 33 3HD2 LEU 33 -10.490 -5.607 2.278 264 HA PRO 34 HA PRO 34 -3.841 -6.069 5.062 265 1HB PRO 34 2HB PRO 34 -5.983 -6.900 6.932 266 2HB PRO 34 1HB PRO 34 -4.376 -6.252 7.278 267 1HG PRO 34 2HG PRO 34 -6.583 -4.775 7.613 268 2HG PRO 34 1HG PRO 34 -5.062 -4.061 7.048 269 1HD PRO 34 2HD PRO 34 -7.523 -4.748 5.513 270 2HD PRO 34 1HD PRO 34 -6.407 -3.383 5.308 271 H GLY 35 H GLY 35 -3.327 -7.940 4.133 272 1HA GLY 35 2HA GLY 35 -3.826 -10.368 4.193 273 2HA GLY 35 1HA GLY 35 -5.476 -9.939 3.765 274 H ALA 36 H ALA 36 -4.158 -7.794 1.960 275 HA ALA 36 HA ALA 36 -3.853 -9.547 -0.339 276 1HB ALA 36 1HB ALA 36 -4.113 -6.539 -0.215 277 2HB ALA 36 2HB ALA 36 -5.439 -7.667 -0.496 278 3HB ALA 36 3HB ALA 36 -4.135 -7.528 -1.674 279 H ALA 37 H ALA 37 -2.267 -8.224 -1.974 280 HA ALA 37 HA ALA 37 0.193 -7.423 -0.716 281 1HB ALA 37 1HB ALA 37 0.168 -10.007 -2.273 282 2HB ALA 37 2HB ALA 37 0.282 -9.889 -0.518 283 3HB ALA 37 3HB ALA 37 1.566 -9.230 -1.532 284 H LEU 38 H LEU 38 1.431 -6.229 -2.044 285 HA LEU 38 HA LEU 38 0.537 -5.921 -4.819 286 1HB LEU 38 2HB LEU 38 2.390 -4.200 -3.173 287 2HB LEU 38 1HB LEU 38 1.921 -3.878 -4.825 288 HG LEU 38 HG LEU 38 0.634 -2.422 -3.514 289 1HD1 LEU 38 1HD1 LEU 38 -1.672 -3.161 -3.840 290 2HD1 LEU 38 2HD1 LEU 38 -1.098 -4.802 -4.138 291 3HD1 LEU 38 3HD1 LEU 38 -0.662 -3.500 -5.246 292 1HD2 LEU 38 1HD2 LEU 38 -0.046 -4.756 -1.740 293 2HD2 LEU 38 2HD2 LEU 38 -0.720 -3.134 -1.594 294 3HD2 LEU 38 3HD2 LEU 38 1.005 -3.397 -1.338 295 H ARG 39 H ARG 39 1.819 -6.405 -6.480 296 HA ARG 39 HA ARG 39 4.267 -7.882 -5.859 297 1HB ARG 39 2HB ARG 39 2.465 -8.923 -7.239 298 2HB ARG 39 1HB ARG 39 2.735 -7.693 -8.462 299 1HG ARG 39 2HG ARG 39 4.951 -8.523 -8.883 300 2HG ARG 39 1HG ARG 39 4.815 -9.660 -7.535 301 1HD ARG 39 2HD ARG 39 2.921 -10.746 -8.675 302 2HD ARG 39 1HD ARG 39 3.132 -9.648 -10.037 303 HE ARG 39 HE ARG 39 5.339 -10.686 -10.362 304 1HH1 ARG 39 1HH1 ARG 39 2.920 -12.384 -8.499 305 2HH1 ARG 39 2HH1 ARG 39 3.589 -13.958 -8.815 306 1HH2 ARG 39 1HH2 ARG 39 6.207 -12.751 -10.816 307 2HH2 ARG 39 2HH2 ARG 39 5.454 -14.169 -10.153 308 H VAL 40 H VAL 40 6.075 -6.731 -5.896 309 HA VAL 40 HA VAL 40 6.322 -4.150 -6.979 310 HB VAL 40 HB VAL 40 7.761 -4.947 -5.160 311 1HG1 VAL 40 1HG1 VAL 40 9.034 -6.718 -7.234 312 2HG1 VAL 40 2HG1 VAL 40 8.068 -7.243 -5.857 313 3HG1 VAL 40 3HG1 VAL 40 9.627 -6.464 -5.592 314 1HG2 VAL 40 1HG2 VAL 40 9.900 -4.055 -5.962 315 2HG2 VAL 40 2HG2 VAL 40 8.540 -3.065 -6.494 316 3HG2 VAL 40 3HG2 VAL 40 9.321 -4.171 -7.623 317 H VAL 41 H VAL 41 6.604 -3.447 -8.956 318 HA VAL 41 HA VAL 41 7.698 -5.272 -10.986 319 HB VAL 41 HB VAL 41 6.322 -2.608 -11.400 320 1HG1 VAL 41 1HG1 VAL 41 6.229 -3.258 -13.750 321 2HG1 VAL 41 2HG1 VAL 41 7.107 -4.742 -13.380 322 3HG1 VAL 41 3HG1 VAL 41 7.894 -3.177 -13.176 323 1HG2 VAL 41 1HG2 VAL 41 4.763 -4.236 -10.510 324 2HG2 VAL 41 2HG2 VAL 41 5.262 -5.412 -11.724 325 3HG2 VAL 41 3HG2 VAL 41 4.418 -3.943 -12.215 326 H ARG 42 H ARG 42 7.926 -1.870 -9.932 327 HA ARG 42 HA ARG 42 10.819 -1.953 -10.185 328 1HB ARG 42 2HB ARG 42 9.127 -0.128 -11.894 329 2HB ARG 42 1HB ARG 42 10.811 0.204 -11.530 330 1HG ARG 42 2HG ARG 42 11.289 -2.101 -12.517 331 2HG ARG 42 1HG ARG 42 9.651 -2.014 -13.169 332 1HD ARG 42 2HD ARG 42 11.859 -0.014 -13.647 333 2HD ARG 42 1HD ARG 42 11.300 -1.230 -14.794 334 HE ARG 42 HE ARG 42 9.043 0.064 -14.402 335 1HH1 ARG 42 1HH1 ARG 42 12.264 1.381 -14.740 336 2HH1 ARG 42 2HH1 ARG 42 11.739 2.850 -15.503 337 1HH2 ARG 42 1HH2 ARG 42 8.328 1.989 -15.428 338 2HH2 ARG 42 2HH2 ARG 42 9.492 3.201 -15.890 339 H ILE 43 H ILE 43 11.791 0.121 -9.459 340 HA ILE 43 HA ILE 43 10.020 1.654 -7.676 341 HB ILE 43 HB ILE 43 12.941 1.026 -7.147 342 1HG1 ILE 43 2HG1 ILE 43 11.817 -0.087 -5.047 343 2HG1 ILE 43 1HG1 ILE 43 10.411 -0.194 -6.099 344 1HG2 ILE 43 1HG2 ILE 43 10.912 2.467 -5.448 345 2HG2 ILE 43 2HG2 ILE 43 12.255 3.213 -6.315 346 3HG2 ILE 43 3HG2 ILE 43 12.572 2.099 -4.986 347 1HD1 ILE 43 1HD1 ILE 43 13.125 -1.366 -6.670 348 2HD1 ILE 43 2HD1 ILE 43 11.700 -1.492 -7.703 349 3HD1 ILE 43 3HD1 ILE 43 11.707 -2.255 -6.113 350 H ALA 44 H ALA 44 10.225 3.879 -7.806 351 HA ALA 44 HA ALA 44 11.474 4.949 -10.124 352 1HB ALA 44 1HB ALA 44 10.767 7.124 -9.275 353 2HB ALA 44 2HB ALA 44 10.359 6.393 -7.723 354 3HB ALA 44 3HB ALA 44 9.460 5.944 -9.173 355 HA PRO 45 HA PRO 45 15.600 5.432 -8.594 356 1HB PRO 45 2HB PRO 45 15.847 7.589 -10.589 357 2HB PRO 45 1HB PRO 45 16.737 6.071 -10.455 358 1HG PRO 45 2HG PRO 45 14.924 6.442 -12.385 359 2HG PRO 45 1HG PRO 45 15.122 4.868 -11.593 360 1HD PRO 45 2HD PRO 45 13.038 6.971 -11.132 361 2HD PRO 45 1HD PRO 45 12.852 5.208 -11.247 362 H LEU 46 H LEU 46 13.209 7.709 -8.261 363 HA LEU 46 HA LEU 46 14.912 9.782 -7.114 364 1HB LEU 46 2HB LEU 46 11.953 9.629 -7.662 365 2HB LEU 46 1HB LEU 46 12.672 10.934 -6.744 366 HG LEU 46 HG LEU 46 12.324 11.704 -8.958 367 1HD1 LEU 46 1HD1 LEU 46 14.367 12.459 -7.917 368 2HD1 LEU 46 2HD1 LEU 46 14.599 12.280 -9.656 369 3HD1 LEU 46 3HD1 LEU 46 15.238 11.063 -8.551 370 1HD2 LEU 46 1HD2 LEU 46 12.154 9.568 -10.106 371 2HD2 LEU 46 2HD2 LEU 46 13.892 9.321 -9.928 372 3HD2 LEU 46 3HD2 LEU 46 13.286 10.642 -10.927 373 H GLY 47 H GLY 47 13.222 7.019 -6.149 374 1HA GLY 47 2HA GLY 47 12.985 6.191 -3.953 375 2HA GLY 47 1HA GLY 47 13.301 7.809 -3.329 376 H ASP 48 H ASP 48 11.374 8.545 -5.621 377 HA ASP 48 HA ASP 48 8.961 8.721 -4.115 378 1HB ASP 48 2HB ASP 48 9.873 9.588 -6.837 379 2HB ASP 48 1HB ASP 48 8.150 9.596 -6.459 380 HA PRO 49 HA PRO 49 5.984 5.765 -4.785 381 1HB PRO 49 2HB PRO 49 5.240 6.287 -7.558 382 2HB PRO 49 1HB PRO 49 4.262 6.374 -6.094 383 1HG PRO 49 2HG PRO 49 5.698 8.516 -7.476 384 2HG PRO 49 1HG PRO 49 4.445 8.629 -6.227 385 1HD PRO 49 2HD PRO 49 6.994 9.317 -5.727 386 2HD PRO 49 1HD PRO 49 5.990 8.521 -4.493 387 H ILE 50 H ILE 50 5.554 3.762 -5.542 388 HA ILE 50 HA ILE 50 7.817 2.569 -6.993 389 HB ILE 50 HB ILE 50 6.089 1.351 -4.820 390 1HG1 ILE 50 2HG1 ILE 50 8.982 2.238 -4.716 391 2HG1 ILE 50 1HG1 ILE 50 7.631 3.128 -4.018 392 1HG2 ILE 50 1HG2 ILE 50 8.548 0.253 -6.178 393 2HG2 ILE 50 2HG2 ILE 50 6.896 -0.316 -6.416 394 3HG2 ILE 50 3HG2 ILE 50 7.676 -0.502 -4.845 395 1HD1 ILE 50 1HD1 ILE 50 7.189 1.242 -2.520 396 2HD1 ILE 50 2HD1 ILE 50 8.820 1.881 -2.318 397 3HD1 ILE 50 3HD1 ILE 50 8.564 0.379 -3.208 398 H GLN 51 H GLN 51 7.404 1.149 -8.610 399 HA GLN 51 HA GLN 51 4.684 1.091 -9.633 400 1HB GLN 51 2HB GLN 51 6.884 1.445 -11.001 401 2HB GLN 51 1HB GLN 51 7.032 -0.299 -10.891 402 1HG GLN 51 2HG GLN 51 4.848 -0.555 -11.967 403 2HG GLN 51 1HG GLN 51 4.716 1.198 -12.096 404 1HE2 GLN 51 1HE2 GLN 51 4.618 1.221 -14.312 405 2HE2 GLN 51 2HE2 GLN 51 5.983 0.834 -15.318 406 H VAL 52 H VAL 52 3.409 -0.410 -8.764 407 HA VAL 52 HA VAL 52 4.518 -3.120 -8.413 408 HB VAL 52 HB VAL 52 2.908 -3.497 -6.597 409 1HG1 VAL 52 1HG1 VAL 52 5.159 -2.787 -6.027 410 2HG1 VAL 52 2HG1 VAL 52 3.995 -2.112 -4.886 411 3HG1 VAL 52 3HG1 VAL 52 4.676 -1.096 -6.155 412 1HG2 VAL 52 1HG2 VAL 52 1.693 -1.622 -5.588 413 2HG2 VAL 52 2HG2 VAL 52 1.180 -1.903 -7.252 414 3HG2 VAL 52 3HG2 VAL 52 2.262 -0.562 -6.877 415 H GLU 53 H GLU 53 2.455 -4.666 -8.175 416 HA GLU 53 HA GLU 53 0.495 -3.976 -10.246 417 1HB GLU 53 2HB GLU 53 2.386 -5.326 -11.218 418 2HB GLU 53 1HB GLU 53 1.953 -6.625 -10.118 419 1HG GLU 53 2HG GLU 53 -0.168 -6.905 -11.186 420 2HG GLU 53 1HG GLU 53 0.090 -5.467 -12.175 421 H THR 54 H THR 54 -1.561 -4.664 -9.759 422 HA THR 54 HA THR 54 -1.910 -5.691 -7.065 423 HB THR 54 HB THR 54 -4.368 -5.368 -7.595 424 HG1 THR 54 1HG THR 54 -4.932 -4.499 -9.511 425 1HG2 THR 54 1HG2 THR 54 -3.122 -3.676 -6.379 426 2HG2 THR 54 2HG2 THR 54 -4.237 -2.901 -7.503 427 3HG2 THR 54 3HG2 THR 54 -2.519 -2.998 -7.891 428 H ARG 55 H ARG 55 -2.783 -6.599 -10.349 429 HA ARG 55 HA ARG 55 -2.442 -9.391 -9.781 430 1HB ARG 55 2HB ARG 55 -4.792 -8.907 -8.980 431 2HB ARG 55 1HB ARG 55 -5.194 -8.456 -10.630 432 1HG ARG 55 2HG ARG 55 -4.426 -10.777 -11.301 433 2HG ARG 55 1HG ARG 55 -4.420 -11.161 -9.579 434 1HD ARG 55 2HD ARG 55 -6.770 -10.268 -11.241 435 2HD ARG 55 1HD ARG 55 -6.511 -11.860 -10.532 436 HE ARG 55 HE ARG 55 -6.494 -10.112 -8.407 437 1HH1 ARG 55 1HH1 ARG 55 -8.722 -10.930 -10.970 438 2HH1 ARG 55 2HH1 ARG 55 -10.138 -10.594 -10.029 439 1HH2 ARG 55 1HH2 ARG 55 -8.346 -9.648 -7.160 440 2HH2 ARG 55 2HH2 ARG 55 -9.930 -9.845 -7.853 441 H GLN 56 H GLN 56 -4.201 -7.263 -12.009 442 HA GLN 56 HA GLN 56 -2.669 -8.426 -14.242 443 1HB GLN 56 2HB GLN 56 -5.251 -8.599 -14.120 444 2HB GLN 56 1HB GLN 56 -5.252 -6.882 -14.479 445 1HG GLN 56 2HG GLN 56 -3.841 -8.824 -16.268 446 2HG GLN 56 1HG GLN 56 -5.578 -8.567 -16.393 447 1HE2 GLN 56 1HE2 GLN 56 -2.451 -7.303 -17.028 448 2HE2 GLN 56 2HE2 GLN 56 -2.956 -5.896 -17.904 449 H THR 57 H THR 57 -3.748 -5.458 -12.668 450 HA THR 57 HA THR 57 -2.343 -3.886 -14.710 451 HB THR 57 HB THR 57 -4.722 -3.340 -14.375 452 HG1 THR 57 1HG THR 57 -3.902 -1.490 -14.999 453 1HG2 THR 57 1HG2 THR 57 -5.471 -2.252 -12.319 454 2HG2 THR 57 2HG2 THR 57 -3.888 -2.519 -11.592 455 3HG2 THR 57 3HG2 THR 57 -4.916 -3.894 -11.996 456 H SER 58 H SER 58 -0.927 -2.228 -14.112 457 HA SER 58 HA SER 58 0.437 -2.696 -11.570 458 1HB SER 58 2HB SER 58 1.295 -1.034 -13.954 459 2HB SER 58 1HB SER 58 2.296 -1.469 -12.568 460 HG SER 58 HG SER 58 1.535 -3.744 -13.338 461 H LEU 59 H LEU 59 1.046 -0.941 -10.203 462 HA LEU 59 HA LEU 59 -0.414 1.558 -10.561 463 1HB LEU 59 2HB LEU 59 -1.921 0.077 -9.310 464 2HB LEU 59 1HB LEU 59 -0.672 -0.186 -8.111 465 HG LEU 59 HG LEU 59 -0.773 2.251 -7.562 466 1HD1 LEU 59 1HD1 LEU 59 -3.183 2.191 -9.370 467 2HD1 LEU 59 2HD1 LEU 59 -1.681 3.067 -9.663 468 3HD1 LEU 59 3HD1 LEU 59 -2.722 3.525 -8.314 469 1HD2 LEU 59 1HD2 LEU 59 -3.320 0.661 -7.279 470 2HD2 LEU 59 2HD2 LEU 59 -2.913 2.099 -6.344 471 3HD2 LEU 59 3HD2 LEU 59 -1.936 0.639 -6.186 472 H ALA 60 H ALA 60 0.459 3.297 -9.490 473 HA ALA 60 HA ALA 60 3.038 2.824 -8.142 474 1HB ALA 60 1HB ALA 60 3.238 4.087 -10.238 475 2HB ALA 60 2HB ALA 60 3.683 5.069 -8.843 476 3HB ALA 60 3HB ALA 60 2.113 5.294 -9.615 477 H LEU 61 H LEU 61 3.113 3.295 -6.055 478 HA LEU 61 HA LEU 61 0.974 4.977 -4.940 479 1HB LEU 61 2HB LEU 61 1.607 3.812 -2.755 480 2HB LEU 61 1HB LEU 61 0.719 2.888 -3.949 481 HG LEU 61 HG LEU 61 3.222 2.251 -4.639 482 1HD1 LEU 61 1HD1 LEU 61 4.256 3.535 -2.866 483 2HD1 LEU 61 2HD1 LEU 61 4.543 1.809 -2.640 484 3HD1 LEU 61 3HD1 LEU 61 3.330 2.637 -1.663 485 1HD2 LEU 61 1HD2 LEU 61 2.888 0.165 -3.404 486 2HD2 LEU 61 2HD2 LEU 61 1.414 0.682 -4.222 487 3HD2 LEU 61 3HD2 LEU 61 1.592 0.924 -2.483 488 H ARG 62 H ARG 62 1.471 6.813 -4.071 489 HA ARG 62 HA ARG 62 4.098 7.870 -4.238 490 1HB ARG 62 2HB ARG 62 1.513 8.897 -3.131 491 2HB ARG 62 1HB ARG 62 3.003 9.767 -2.809 492 1HG ARG 62 2HG ARG 62 2.000 10.797 -4.670 493 2HG ARG 62 1HG ARG 62 3.363 9.865 -5.291 494 1HD ARG 62 2HD ARG 62 1.896 8.132 -6.065 495 2HD ARG 62 1HD ARG 62 0.510 8.891 -5.280 496 HE ARG 62 HE ARG 62 1.856 9.783 -7.724 497 1HH1 ARG 62 1HH1 ARG 62 -0.664 10.228 -5.339 498 2HH1 ARG 62 2HH1 ARG 62 -1.551 11.380 -6.288 499 1HH2 ARG 62 1HH2 ARG 62 0.691 11.283 -8.992 500 2HH2 ARG 62 2HH2 ARG 62 -0.798 11.950 -8.391 501 H ARG 63 H ARG 63 5.041 9.105 -2.293 502 HA ARG 63 HA ARG 63 5.753 7.191 -0.325 503 1HB ARG 63 2HB ARG 63 6.204 10.185 -0.421 504 2HB ARG 63 1HB ARG 63 6.976 9.091 0.719 505 1HG ARG 63 2HG ARG 63 7.288 8.294 -2.074 506 2HG ARG 63 1HG ARG 63 8.009 9.855 -1.681 507 1HD ARG 63 2HD ARG 63 9.523 7.866 -1.409 508 2HD ARG 63 1HD ARG 63 9.373 8.911 0.002 509 HE ARG 63 HE ARG 63 7.722 7.182 0.821 510 1HH1 ARG 63 1HH1 ARG 63 10.275 6.337 -1.422 511 2HH1 ARG 63 2HH1 ARG 63 10.472 4.735 -0.780 512 1HH2 ARG 63 1HH2 ARG 63 7.985 5.092 1.668 513 2HH2 ARG 63 2HH2 ARG 63 9.186 4.028 0.984 514 H LYS 64 H LYS 64 3.673 10.074 -0.229 515 HA LYS 64 HA LYS 64 2.934 9.741 2.498 516 1HB LYS 64 2HB LYS 64 2.735 11.902 1.338 517 2HB LYS 64 1HB LYS 64 1.508 11.223 0.278 518 1HG LYS 64 2HG LYS 64 0.047 10.859 2.207 519 2HG LYS 64 1HG LYS 64 1.275 11.559 3.262 520 1HD LYS 64 2HD LYS 64 1.112 13.668 1.971 521 2HD LYS 64 1HD LYS 64 -0.202 12.953 1.034 522 1HE LYS 64 2HE LYS 64 -1.066 14.362 2.838 523 2HE LYS 64 1HE LYS 64 -1.514 12.672 3.069 524 1HZ LYS 64 1HZ LYS 64 0.258 12.436 4.682 525 2HZ LYS 64 2HZ LYS 64 -0.753 13.719 5.131 526 3HZ LYS 64 3HZ LYS 64 0.754 14.037 4.426 527 H ASP 65 H ASP 65 1.523 8.787 -0.572 528 HA ASP 65 HA ASP 65 -0.872 7.673 0.411 529 1HB ASP 65 2HB ASP 65 -0.409 8.260 -1.974 530 2HB ASP 65 1HB ASP 65 0.700 6.900 -2.067 531 H LEU 66 H LEU 66 2.357 6.383 -0.050 532 HA LEU 66 HA LEU 66 1.808 3.715 0.718 533 1HB LEU 66 2HB LEU 66 3.863 4.395 -0.465 534 2HB LEU 66 1HB LEU 66 4.364 5.306 0.945 535 HG LEU 66 HG LEU 66 4.601 3.273 2.244 536 1HD1 LEU 66 1HD1 LEU 66 3.717 1.831 -0.250 537 2HD1 LEU 66 2HD1 LEU 66 2.791 1.979 1.245 538 3HD1 LEU 66 3HD1 LEU 66 4.306 1.075 1.231 539 1HD2 LEU 66 1HD2 LEU 66 6.455 2.249 1.023 540 2HD2 LEU 66 2HD2 LEU 66 6.508 4.009 0.928 541 3HD2 LEU 66 3HD2 LEU 66 5.936 3.069 -0.450 542 H ALA 67 H ALA 67 2.648 6.637 2.484 543 HA ALA 67 HA ALA 67 3.273 5.415 4.947 544 1HB ALA 67 1HB ALA 67 3.135 7.644 5.897 545 2HB ALA 67 2HB ALA 67 2.312 8.228 4.450 546 3HB ALA 67 3HB ALA 67 3.986 7.685 4.353 547 H LEU 68 H LEU 68 0.273 5.949 3.415 548 HA LEU 68 HA LEU 68 -1.276 5.973 5.861 549 1HB LEU 68 2HB LEU 68 -2.152 5.629 2.992 550 2HB LEU 68 1HB LEU 68 -3.210 5.925 4.359 551 HG LEU 68 HG LEU 68 -1.088 7.846 3.405 552 1HD1 LEU 68 1HD1 LEU 68 -2.936 9.173 2.532 553 2HD1 LEU 68 2HD1 LEU 68 -4.067 7.893 2.973 554 3HD1 LEU 68 3HD1 LEU 68 -2.841 7.600 1.739 555 1HD2 LEU 68 1HD2 LEU 68 -3.332 8.183 5.390 556 2HD2 LEU 68 2HD2 LEU 68 -2.201 9.436 4.875 557 3HD2 LEU 68 3HD2 LEU 68 -1.620 8.040 5.782 558 H LEU 69 H LEU 69 -0.015 3.653 3.661 559 HA LEU 69 HA LEU 69 -1.687 1.522 4.802 560 1HB LEU 69 2HB LEU 69 0.089 1.610 2.363 561 2HB LEU 69 1HB LEU 69 -0.660 0.141 2.959 562 HG LEU 69 HG LEU 69 -2.221 2.576 2.095 563 1HD1 LEU 69 1HD1 LEU 69 -2.698 1.322 0.045 564 2HD1 LEU 69 2HD1 LEU 69 -1.580 0.060 0.559 565 3HD1 LEU 69 3HD1 LEU 69 -0.980 1.679 0.204 566 1HD2 LEU 69 1HD2 LEU 69 -3.361 1.078 3.668 567 2HD2 LEU 69 2HD2 LEU 69 -3.050 -0.283 2.590 568 3HD2 LEU 69 3HD2 LEU 69 -4.103 1.034 2.068 569 H THR 70 H THR 70 -0.787 -0.113 6.018 570 HA THR 70 HA THR 70 2.098 0.057 6.503 571 HB THR 70 HB THR 70 0.174 -1.835 7.824 572 HG1 THR 70 1HG THR 70 0.160 0.798 8.001 573 1HG2 THR 70 1HG2 THR 70 1.847 -1.832 9.617 574 2HG2 THR 70 2HG2 THR 70 2.849 -0.728 8.674 575 3HG2 THR 70 3HG2 THR 70 2.546 -2.364 8.087 576 H LEU 71 H LEU 71 3.348 -1.063 5.216 577 HA LEU 71 HA LEU 71 2.348 -3.583 4.063 578 1HB LEU 71 2HB LEU 71 4.215 -1.591 2.766 579 2HB LEU 71 1HB LEU 71 3.711 -3.118 2.072 580 HG LEU 71 HG LEU 71 1.995 -0.684 2.555 581 1HD1 LEU 71 1HD1 LEU 71 3.400 -0.577 0.575 582 2HD1 LEU 71 2HD1 LEU 71 1.708 -0.780 0.120 583 3HD1 LEU 71 3HD1 LEU 71 2.811 -2.154 0.051 584 1HD2 LEU 71 1HD2 LEU 71 0.158 -1.976 1.598 585 2HD2 LEU 71 2HD2 LEU 71 0.731 -2.698 3.103 586 3HD2 LEU 71 3HD2 LEU 71 1.184 -3.409 1.554 587 H VAL 72 H VAL 72 3.621 -5.322 4.230 588 HA VAL 72 HA VAL 72 6.455 -4.929 4.907 589 HB VAL 72 HB VAL 72 6.414 -6.885 6.375 590 1HG1 VAL 72 1HG1 VAL 72 4.397 -4.799 7.184 591 2HG1 VAL 72 2HG1 VAL 72 6.145 -4.695 7.386 592 3HG1 VAL 72 3HG1 VAL 72 5.227 -5.907 8.278 593 1HG2 VAL 72 1HG2 VAL 72 4.296 -7.862 7.124 594 2HG2 VAL 72 2HG2 VAL 72 4.556 -8.093 5.396 595 3HG2 VAL 72 3HG2 VAL 72 3.432 -6.857 5.959 596 HA PRO 73 HA PRO 73 7.160 -7.685 1.492 597 1HB PRO 73 2HB PRO 73 9.254 -8.983 3.145 598 2HB PRO 73 1HB PRO 73 9.389 -8.219 1.557 599 1HG PRO 73 2HG PRO 73 10.354 -7.021 3.741 600 2HG PRO 73 1HG PRO 73 9.575 -6.087 2.451 601 1HD PRO 73 2HD PRO 73 8.487 -6.911 5.113 602 2HD PRO 73 1HD PRO 73 8.282 -5.383 4.233 603 H LEU 74 H LEU 74 7.033 -9.957 0.907 604 HA LEU 74 HA LEU 74 5.256 -11.499 2.457 605 1HB LEU 74 2HB LEU 74 7.079 -12.323 0.201 606 2HB LEU 74 1HB LEU 74 5.809 -13.317 0.869 607 HG LEU 74 HG LEU 74 5.463 -10.724 -0.620 608 1HD1 LEU 74 1HD1 LEU 74 6.004 -12.612 -2.041 609 2HD1 LEU 74 2HD1 LEU 74 4.320 -12.135 -2.261 610 3HD1 LEU 74 3HD1 LEU 74 4.715 -13.562 -1.303 611 1HD2 LEU 74 1HD2 LEU 74 3.372 -12.509 0.622 612 2HD2 LEU 74 2HD2 LEU 74 3.057 -11.119 -0.417 613 3HD2 LEU 74 3HD2 LEU 74 3.810 -10.889 1.162 614 H ASP 75 H ASP 75 8.529 -10.959 2.785 615 HA ASP 75 HA ASP 75 10.134 -11.714 4.172 616 1HB ASP 75 2HB ASP 75 8.247 -12.091 5.801 617 2HB ASP 75 1HB ASP 75 8.170 -13.754 5.224
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