NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
501891 | 2l9r | 17484 | cing | 1-original | 9 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 5.114 -25.603 4.340 2 H2 MET 1 2H MET 1 3.668 -26.472 4.274 3 H3 MET 1 3H MET 1 4.023 -25.525 5.625 4 HA MET 1 HA MET 1 3.575 -24.526 2.879 5 HB2 MET 1 2HB MET 1 1.435 -23.649 3.678 6 HB3 MET 1 3HB MET 1 1.509 -25.389 3.919 7 HG2 MET 1 2HG MET 1 1.898 -23.296 6.079 8 HG3 MET 1 3HG MET 1 0.444 -24.258 5.815 9 HE1 MET 1 3HE MET 1 1.856 -25.773 9.155 10 HE2 MET 1 1HE MET 1 0.460 -25.033 8.371 11 HE3 MET 1 2HE MET 1 1.915 -24.079 8.672 12 H GLY 2 H GLY 2 3.142 -22.109 2.903 13 HA2 GLY 2 2HA GLY 2 3.792 -20.260 4.797 14 HA3 GLY 2 3HA GLY 2 5.369 -20.769 4.202 15 H HIS 3 H HIS 3 5.727 -18.628 3.472 16 HA HIS 3 HA HIS 3 4.105 -17.488 1.331 17 HB2 HIS 3 2HB HIS 3 6.718 -16.543 2.594 18 HB3 HIS 3 3HB HIS 3 5.788 -15.634 1.404 19 HD1 HIS 3 HD1 HIS 3 3.857 -14.241 2.265 20 HD2 HIS 3 HD2 HIS 3 5.364 -16.817 5.159 21 HE1 HIS 3 HE1 HIS 3 2.719 -13.597 4.400 22 HE2 HIS 3 HE2 HIS 3 3.732 -15.082 6.151 23 H HIS 4 H HIS 4 4.312 -18.391 -0.653 24 HA HIS 4 HA HIS 4 6.387 -20.028 -1.588 25 HB2 HIS 4 2HB HIS 4 4.363 -18.413 -3.189 26 HB3 HIS 4 3HB HIS 4 5.358 -19.703 -3.854 27 HD1 HIS 4 HD1 HIS 4 2.184 -19.083 -2.144 28 HD2 HIS 4 HD2 HIS 4 4.684 -22.335 -2.770 29 HE1 HIS 4 HE1 HIS 4 0.810 -21.098 -1.594 30 HE2 HIS 4 HE2 HIS 4 2.384 -23.039 -1.841 31 H HIS 5 H HIS 5 5.994 -16.546 -1.868 32 HA HIS 5 HA HIS 5 8.793 -16.211 -2.613 33 HB2 HIS 5 2HB HIS 5 8.216 -14.643 -4.503 34 HB3 HIS 5 3HB HIS 5 7.802 -16.318 -4.823 35 HD1 HIS 5 HD1 HIS 5 5.300 -16.881 -5.139 36 HD2 HIS 5 HD2 HIS 5 5.978 -12.880 -4.275 37 HE1 HIS 5 HE1 HIS 5 3.126 -15.721 -5.573 38 HE2 HIS 5 HE2 HIS 5 3.636 -13.284 -5.264 39 H HIS 6 H HIS 6 9.639 -14.582 -1.382 40 HA HIS 6 HA HIS 6 8.001 -12.335 -0.469 41 HB2 HIS 6 2HB HIS 6 7.487 -14.002 1.234 42 HB3 HIS 6 3HB HIS 6 9.193 -14.375 1.455 43 HD1 HIS 6 HD1 HIS 6 10.391 -13.076 3.246 44 HD2 HIS 6 HD2 HIS 6 6.789 -11.304 2.204 45 HE1 HIS 6 HE1 HIS 6 10.090 -11.180 4.848 46 HE2 HIS 6 HE2 HIS 6 7.884 -10.149 4.232 47 H HIS 7 H HIS 7 9.177 -10.547 -0.623 48 HA HIS 7 HA HIS 7 11.639 -10.158 0.759 49 HB2 HIS 7 2HB HIS 7 13.104 -9.523 -1.123 50 HB3 HIS 7 3HB HIS 7 12.594 -11.194 -1.319 51 HD1 HIS 7 HD1 HIS 7 12.391 -7.843 -2.930 52 HD2 HIS 7 HD2 HIS 7 10.812 -11.637 -3.506 53 HE1 HIS 7 HE1 HIS 7 11.354 -7.804 -5.205 54 HE2 HIS 7 HE2 HIS 7 10.332 -10.074 -5.492 55 H HIS 8 H HIS 8 12.453 -7.790 0.319 56 HA HIS 8 HA HIS 8 10.269 -5.917 0.306 57 HB2 HIS 8 2HB HIS 8 13.248 -5.339 -0.014 58 HB3 HIS 8 3HB HIS 8 11.998 -4.170 0.413 59 HD1 HIS 8 HD1 HIS 8 14.378 -6.498 1.879 60 HD2 HIS 8 HD2 HIS 8 10.787 -4.756 3.039 61 HE1 HIS 8 HE1 HIS 8 14.247 -6.803 4.359 62 HE2 HIS 8 HE2 HIS 8 12.026 -5.852 5.019 63 H SER 9 H SER 9 9.143 -5.672 -1.542 64 HA SER 9 HA SER 9 10.102 -6.238 -4.137 65 HB2 SER 9 2HB SER 9 7.907 -5.206 -4.885 66 HB3 SER 9 3HB SER 9 7.758 -6.493 -3.692 67 HG SER 9 HG SER 9 6.587 -4.313 -3.446 68 H HIS 10 H HIS 10 11.334 -5.065 -5.458 69 HA HIS 10 HA HIS 10 11.924 -2.263 -5.095 70 HB2 HIS 10 2HB HIS 10 13.583 -3.956 -5.967 71 HB3 HIS 10 3HB HIS 10 12.639 -4.090 -7.443 72 HD1 HIS 10 HD1 HIS 10 12.779 -2.086 -9.113 73 HD2 HIS 10 HD2 HIS 10 15.205 -1.683 -5.765 74 HE1 HIS 10 HE1 HIS 10 14.380 -0.237 -9.659 75 HE2 HIS 10 HE2 HIS 10 15.717 0.095 -7.559 76 H MET 11 H MET 11 9.564 -1.758 -5.159 77 HA MET 11 HA MET 11 7.983 -1.920 -7.504 78 HB2 MET 11 2HB MET 11 7.739 -0.285 -4.950 79 HB3 MET 11 3HB MET 11 6.488 -0.310 -6.190 80 HG2 MET 11 2HG MET 11 6.008 -2.607 -5.810 81 HG3 MET 11 3HG MET 11 7.485 -2.853 -4.881 82 HE1 MET 11 3HE MET 11 6.687 -1.155 -1.479 83 HE2 MET 11 1HE MET 11 7.586 -0.457 -2.826 84 HE3 MET 11 2HE MET 11 7.819 -2.152 -2.392 85 H SER 12 H SER 12 7.044 -0.040 -8.651 86 HA SER 12 HA SER 12 9.228 1.548 -9.775 87 HB2 SER 12 2HB SER 12 7.572 0.456 -11.285 88 HB3 SER 12 3HB SER 12 6.287 1.426 -10.578 89 HG SER 12 HG SER 12 7.376 2.130 -12.641 90 H HIS 13 H HIS 13 9.165 3.899 -9.957 91 HA HIS 13 HA HIS 13 8.725 5.167 -7.492 92 HB2 HIS 13 2HB HIS 13 10.368 5.844 -9.340 93 HB3 HIS 13 3HB HIS 13 9.019 6.618 -10.155 94 HD1 HIS 13 HD1 HIS 13 11.641 7.257 -7.747 95 HD2 HIS 13 HD2 HIS 13 7.862 8.817 -8.492 96 HE1 HIS 13 HE1 HIS 13 11.605 9.495 -6.627 97 HE2 HIS 13 HE2 HIS 13 9.338 10.445 -7.135 98 H THR 14 H THR 14 6.790 5.351 -10.499 99 HA THR 14 HA THR 14 4.807 7.177 -9.565 100 HB THR 14 HB THR 14 4.506 5.112 -11.798 101 HG1 THR 14 HG1 THR 14 5.259 6.908 -13.119 102 HG21 THR 14 3HG2 THR 14 2.381 6.249 -11.195 103 HG22 THR 14 1HG2 THR 14 2.946 6.750 -12.792 104 HG23 THR 14 2HG2 THR 14 3.162 7.818 -11.403 105 H GLN 15 H GLN 15 5.072 3.666 -9.499 106 HA GLN 15 HA GLN 15 2.467 3.015 -8.560 107 HB2 GLN 15 2HB GLN 15 3.815 1.330 -9.621 108 HB3 GLN 15 3HB GLN 15 5.142 1.580 -8.495 109 HG2 GLN 15 2HG GLN 15 3.899 0.528 -6.702 110 HG3 GLN 15 3HG GLN 15 2.454 0.426 -7.709 111 HE21 GLN 15 1HE2 GLN 15 2.338 -1.189 -9.284 112 HE22 GLN 15 2HE2 GLN 15 3.459 -2.494 -9.352 113 H VAL 16 H VAL 16 5.527 3.752 -6.878 114 HA VAL 16 HA VAL 16 4.602 3.356 -4.227 115 HB VAL 16 HB VAL 16 6.900 5.122 -5.191 116 HG11 VAL 16 1HG1 VAL 16 7.791 5.000 -2.877 117 HG12 VAL 16 2HG1 VAL 16 6.339 4.141 -2.359 118 HG13 VAL 16 3HG1 VAL 16 6.221 5.807 -2.925 119 HG21 VAL 16 3HG2 VAL 16 6.953 2.264 -4.134 120 HG22 VAL 16 1HG2 VAL 16 8.368 3.225 -4.580 121 HG23 VAL 16 2HG2 VAL 16 7.197 2.754 -5.810 122 H ILE 17 H ILE 17 4.477 6.190 -6.405 123 HA ILE 17 HA ILE 17 3.491 8.126 -4.606 124 HB ILE 17 HB ILE 17 2.808 7.783 -7.565 125 HG12 ILE 17 2HG1 ILE 17 4.857 9.607 -6.217 126 HG13 ILE 17 3HG1 ILE 17 5.226 8.151 -7.132 127 HG21 ILE 17 1HG2 ILE 17 2.331 10.227 -5.815 128 HG22 ILE 17 2HG2 ILE 17 1.086 9.172 -6.484 129 HG23 ILE 17 3HG2 ILE 17 2.079 10.150 -7.560 130 HD11 ILE 17 3HD1 ILE 17 5.675 10.114 -8.446 131 HD12 ILE 17 1HD1 ILE 17 4.022 10.690 -8.233 132 HD13 ILE 17 2HD1 ILE 17 4.335 9.221 -9.161 133 H GLU 18 H GLU 18 1.747 5.634 -6.479 134 HA GLU 18 HA GLU 18 -0.894 6.264 -5.672 135 HB2 GLU 18 2HB GLU 18 0.301 3.617 -6.582 136 HB3 GLU 18 3HB GLU 18 -1.430 3.915 -6.417 137 HG2 GLU 18 2HG GLU 18 0.421 5.434 -8.285 138 HG3 GLU 18 3HG GLU 18 -0.596 4.073 -8.755 139 H LEU 19 H LEU 19 1.492 3.999 -4.328 140 HA LEU 19 HA LEU 19 0.032 2.961 -2.167 141 HB2 LEU 19 2HB LEU 19 3.002 3.518 -2.510 142 HB3 LEU 19 3HB LEU 19 2.358 2.664 -1.121 143 HG LEU 19 HG LEU 19 2.002 1.657 -3.972 144 HD11 LEU 19 1HD1 LEU 19 4.174 0.829 -2.021 145 HD12 LEU 19 2HD1 LEU 19 4.409 1.762 -3.497 146 HD13 LEU 19 3HD1 LEU 19 3.847 0.099 -3.596 147 HD21 LEU 19 3HD2 LEU 19 1.703 0.248 -1.298 148 HD22 LEU 19 1HD2 LEU 19 1.523 -0.499 -2.889 149 HD23 LEU 19 2HD2 LEU 19 0.395 0.748 -2.372 150 H GLU 20 H GLU 20 1.953 5.983 -2.434 151 HA GLU 20 HA GLU 20 1.631 6.823 0.289 152 HB2 GLU 20 2HB GLU 20 2.545 8.355 -2.174 153 HB3 GLU 20 3HB GLU 20 2.599 9.000 -0.533 154 HG2 GLU 20 2HG GLU 20 4.155 7.211 0.126 155 HG3 GLU 20 3HG GLU 20 4.100 6.545 -1.504 156 H ARG 21 H ARG 21 -0.168 7.412 -2.669 157 HA ARG 21 HA ARG 21 -1.872 9.471 -1.708 158 HB2 ARG 21 2HB ARG 21 -2.153 7.464 -3.968 159 HB3 ARG 21 3HB ARG 21 -3.432 8.622 -3.606 160 HG2 ARG 21 2HG ARG 21 -1.892 10.488 -4.015 161 HG3 ARG 21 3HG ARG 21 -0.573 9.360 -4.332 162 HD2 ARG 21 2HD ARG 21 -1.665 8.549 -6.331 163 HD3 ARG 21 3HD ARG 21 -3.135 9.458 -5.962 164 HE ARG 21 HE ARG 21 -1.108 11.330 -6.123 165 HH11 ARG 21 1HH1 ARG 21 -2.409 8.995 -8.346 166 HH12 ARG 21 2HH1 ARG 21 -2.164 10.026 -9.715 167 HH21 ARG 21 1HH2 ARG 21 -0.824 12.612 -7.911 168 HH22 ARG 21 2HH2 ARG 21 -1.272 12.024 -9.474 169 H LYS 22 H LYS 22 -2.092 5.939 -1.663 170 HA LYS 22 HA LYS 22 -4.631 5.739 -0.351 171 HB2 LYS 22 2HB LYS 22 -3.190 3.918 -1.644 172 HB3 LYS 22 3HB LYS 22 -2.438 3.651 -0.081 173 HG2 LYS 22 2HG LYS 22 -4.123 2.022 -0.172 174 HG3 LYS 22 3HG LYS 22 -4.844 3.294 0.821 175 HD2 LYS 22 2HD LYS 22 -6.045 4.147 -1.196 176 HD3 LYS 22 3HD LYS 22 -5.348 2.834 -2.151 177 HE2 LYS 22 2HE LYS 22 -7.606 2.226 -1.545 178 HE3 LYS 22 3HE LYS 22 -6.501 1.204 -0.623 179 HZ1 LYS 22 3HZ LYS 22 -7.947 3.605 0.366 180 HZ2 LYS 22 1HZ LYS 22 -6.801 2.743 1.265 181 HZ3 LYS 22 2HZ LYS 22 -8.240 1.999 0.794 182 H PHE 23 H PHE 23 -1.268 5.804 0.769 183 HA PHE 23 HA PHE 23 -1.627 5.331 3.521 184 HB2 PHE 23 2HB PHE 23 0.535 5.139 2.266 185 HB3 PHE 23 3HB PHE 23 0.593 6.890 2.138 186 HD1 PHE 23 HD2 PHE 23 0.322 4.209 4.753 187 HD2 PHE 23 HD1 PHE 23 1.895 8.057 3.739 188 HE1 PHE 23 HE2 PHE 23 1.542 4.269 6.878 189 HE2 PHE 23 HE1 PHE 23 3.118 8.109 5.874 190 HZ PHE 23 HZ PHE 23 2.943 6.216 7.447 191 H SER 24 H SER 24 -1.415 8.368 1.690 192 HA SER 24 HA SER 24 -1.411 10.251 3.729 193 HB2 SER 24 2HB SER 24 -0.995 10.810 1.358 194 HB3 SER 24 3HB SER 24 -2.688 10.509 0.972 195 HG SER 24 HG SER 24 -1.509 12.639 2.359 196 H HIS 25 H HIS 25 -4.202 8.666 2.169 197 HA HIS 25 HA HIS 25 -6.183 10.162 3.634 198 HB2 HIS 25 2HB HIS 25 -6.598 9.374 1.348 199 HB3 HIS 25 3HB HIS 25 -6.362 7.705 1.841 200 HD1 HIS 25 HD1 HIS 25 -8.792 10.582 2.341 201 HD2 HIS 25 HD2 HIS 25 -8.647 6.441 2.664 202 HE1 HIS 25 HE1 HIS 25 -11.149 9.862 2.797 203 HE2 HIS 25 HE2 HIS 25 -11.056 7.353 2.856 204 H GLN 26 H GLN 26 -4.867 6.826 3.764 205 HA GLN 26 HA GLN 26 -5.745 6.557 6.556 206 HB2 GLN 26 2HB GLN 26 -6.785 4.389 6.244 207 HB3 GLN 26 3HB GLN 26 -7.556 5.544 5.163 208 HG2 GLN 26 2HG GLN 26 -6.223 4.632 3.277 209 HG3 GLN 26 3HG GLN 26 -5.508 3.451 4.376 210 HE21 GLN 26 1HE2 GLN 26 -6.862 1.785 5.208 211 HE22 GLN 26 2HE2 GLN 26 -8.335 1.345 4.425 212 H LYS 27 H LYS 27 -4.208 5.683 7.788 213 HA LYS 27 HA LYS 27 -1.615 5.079 6.664 214 HB2 LYS 27 2HB LYS 27 -2.562 5.090 9.560 215 HB3 LYS 27 3HB LYS 27 -0.880 5.057 9.037 216 HG2 LYS 27 2HG LYS 27 -2.872 7.309 8.585 217 HG3 LYS 27 3HG LYS 27 -1.527 7.316 9.730 218 HD2 LYS 27 2HD LYS 27 0.100 7.413 7.970 219 HD3 LYS 27 3HD LYS 27 -1.091 7.000 6.737 220 HE2 LYS 27 2HE LYS 27 -1.002 9.591 8.312 221 HE3 LYS 27 3HE LYS 27 -0.504 9.377 6.635 222 HZ1 LYS 27 3HZ LYS 27 -3.252 9.044 7.704 223 HZ2 LYS 27 1HZ LYS 27 -2.793 8.742 6.103 224 HZ3 LYS 27 2HZ LYS 27 -2.696 10.309 6.733 225 H TYR 28 H TYR 28 -4.258 3.239 7.956 226 HA TYR 28 HA TYR 28 -2.682 0.716 7.931 227 HB2 TYR 28 2HB TYR 28 -5.253 1.265 9.486 228 HB3 TYR 28 3HB TYR 28 -4.234 -0.167 9.595 229 HD1 TYR 28 HD2 TYR 28 -2.056 -0.058 10.818 230 HD2 TYR 28 HD1 TYR 28 -4.663 3.323 10.661 231 HE1 TYR 28 HE2 TYR 28 -0.860 0.960 12.704 232 HE2 TYR 28 HE1 TYR 28 -3.479 4.331 12.547 233 HH TYR 28 HH TYR 28 -2.080 3.613 14.446 234 H LEU 29 H LEU 29 -3.246 -0.647 6.293 235 HA LEU 29 HA LEU 29 -5.971 -0.563 5.142 236 HB2 LEU 29 2HB LEU 29 -3.545 -2.137 4.187 237 HB3 LEU 29 3HB LEU 29 -5.098 -2.036 3.372 238 HG LEU 29 HG LEU 29 -2.968 0.110 3.618 239 HD11 LEU 29 1HD1 LEU 29 -2.676 -1.509 1.817 240 HD12 LEU 29 2HD1 LEU 29 -3.037 0.091 1.178 241 HD13 LEU 29 3HD1 LEU 29 -4.293 -1.152 1.203 242 HD21 LEU 29 3HD2 LEU 29 -4.464 1.674 2.459 243 HD22 LEU 29 1HD2 LEU 29 -5.093 1.239 4.046 244 HD23 LEU 29 2HD2 LEU 29 -5.795 0.522 2.593 245 H SER 30 H SER 30 -7.432 -2.105 5.668 246 HA SER 30 HA SER 30 -6.678 -4.584 7.056 247 HB2 SER 30 2HB SER 30 -9.388 -3.640 6.009 248 HB3 SER 30 3HB SER 30 -9.124 -5.103 6.966 249 HG SER 30 HG SER 30 -8.255 -2.603 7.903 250 H ALA 31 H ALA 31 -7.847 -6.627 6.002 251 HA ALA 31 HA ALA 31 -6.448 -7.433 3.773 252 HB1 ALA 31 3HB ALA 31 -7.934 -9.384 3.673 253 HB2 ALA 31 1HB ALA 31 -9.115 -8.553 4.692 254 HB3 ALA 31 2HB ALA 31 -7.535 -8.987 5.344 255 HA PRO 32 HA PRO 32 -10.289 -6.377 0.775 256 HB2 PRO 32 2HB PRO 32 -11.384 -4.002 2.272 257 HB3 PRO 32 3HB PRO 32 -12.244 -5.229 1.313 258 HG2 PRO 32 2HG PRO 32 -12.375 -5.301 3.957 259 HG3 PRO 32 3HG PRO 32 -12.191 -6.809 3.026 260 HD2 PRO 32 2HD PRO 32 -10.093 -5.271 4.546 261 HD3 PRO 32 3HD PRO 32 -10.372 -7.025 4.464 262 H GLU 33 H GLU 33 -9.064 -3.474 2.589 263 HA GLU 33 HA GLU 33 -8.710 -1.837 0.284 264 HB2 GLU 33 2HB GLU 33 -7.277 -1.521 2.959 265 HB3 GLU 33 3HB GLU 33 -7.436 -0.292 1.718 266 HG2 GLU 33 2HG GLU 33 -9.079 0.418 3.139 267 HG3 GLU 33 3HG GLU 33 -10.036 -0.662 2.131 268 H ARG 34 H ARG 34 -6.617 -4.054 1.960 269 HA ARG 34 HA ARG 34 -4.115 -3.280 0.819 270 HB2 ARG 34 2HB ARG 34 -4.401 -4.398 3.017 271 HB3 ARG 34 3HB ARG 34 -4.976 -5.849 2.203 272 HG2 ARG 34 2HG ARG 34 -2.731 -6.049 1.110 273 HG3 ARG 34 3HG ARG 34 -2.183 -4.671 2.074 274 HD2 ARG 34 2HD ARG 34 -1.542 -6.827 3.111 275 HD3 ARG 34 3HD ARG 34 -2.649 -5.911 4.147 276 HE ARG 34 HE ARG 34 -3.916 -7.833 2.374 277 HH11 ARG 34 1HH1 ARG 34 -2.646 -7.349 5.563 278 HH12 ARG 34 2HH1 ARG 34 -3.519 -8.690 6.211 279 HH21 ARG 34 1HH2 ARG 34 -5.008 -9.516 3.215 280 HH22 ARG 34 2HH2 ARG 34 -4.844 -9.903 4.900 281 H ALA 35 H ALA 35 -6.411 -5.950 0.172 282 HA ALA 35 HA ALA 35 -5.015 -7.129 -2.017 283 HB1 ALA 35 3HB ALA 35 -7.960 -7.319 -1.289 284 HB2 ALA 35 1HB ALA 35 -6.679 -8.370 -0.685 285 HB3 ALA 35 2HB ALA 35 -7.097 -8.390 -2.400 286 H HIS 36 H HIS 36 -7.601 -4.731 -1.793 287 HA HIS 36 HA HIS 36 -8.190 -4.400 -4.509 288 HB2 HIS 36 2HB HIS 36 -9.612 -3.563 -2.662 289 HB3 HIS 36 3HB HIS 36 -8.385 -2.374 -2.241 290 HD1 HIS 36 HD1 HIS 36 -10.784 -3.202 -5.081 291 HD2 HIS 36 HD2 HIS 36 -8.647 0.017 -3.559 292 HE1 HIS 36 HE1 HIS 36 -11.533 -1.211 -6.397 293 HE2 HIS 36 HE2 HIS 36 -10.356 0.733 -5.341 294 H LEU 37 H LEU 37 -5.938 -2.533 -2.420 295 HA LEU 37 HA LEU 37 -4.909 -0.860 -4.487 296 HB2 LEU 37 2HB LEU 37 -4.742 -0.316 -2.066 297 HB3 LEU 37 3HB LEU 37 -3.630 -1.656 -1.842 298 HG LEU 37 HG LEU 37 -1.995 -0.504 -3.377 299 HD11 LEU 37 1HD1 LEU 37 -3.538 0.868 -4.687 300 HD12 LEU 37 2HD1 LEU 37 -2.276 1.856 -3.958 301 HD13 LEU 37 3HD1 LEU 37 -3.902 1.853 -3.267 302 HD21 LEU 37 3HD2 LEU 37 -2.825 1.060 -0.920 303 HD22 LEU 37 1HD2 LEU 37 -1.281 1.222 -1.760 304 HD23 LEU 37 2HD2 LEU 37 -1.706 -0.300 -0.986 305 H ALA 38 H ALA 38 -3.919 -4.012 -3.193 306 HA ALA 38 HA ALA 38 -1.488 -4.412 -4.501 307 HB1 ALA 38 3HB ALA 38 -3.591 -6.504 -3.826 308 HB2 ALA 38 1HB ALA 38 -2.332 -5.913 -2.742 309 HB3 ALA 38 2HB ALA 38 -1.890 -6.825 -4.187 310 H LYS 39 H LYS 39 -4.709 -5.601 -5.617 311 HA LYS 39 HA LYS 39 -3.799 -6.551 -8.114 312 HB2 LYS 39 2HB LYS 39 -6.162 -6.850 -8.700 313 HB3 LYS 39 3HB LYS 39 -5.845 -7.392 -7.058 314 HG2 LYS 39 2HG LYS 39 -6.830 -5.277 -6.188 315 HG3 LYS 39 3HG LYS 39 -7.214 -4.798 -7.846 316 HD2 LYS 39 2HD LYS 39 -8.669 -6.796 -8.078 317 HD3 LYS 39 3HD LYS 39 -8.276 -7.281 -6.430 318 HE2 LYS 39 2HE LYS 39 -9.349 -5.233 -5.577 319 HE3 LYS 39 3HE LYS 39 -9.731 -4.738 -7.225 320 HZ1 LYS 39 3HZ LYS 39 -11.118 -6.689 -7.456 321 HZ2 LYS 39 1HZ LYS 39 -11.621 -5.772 -6.123 322 HZ3 LYS 39 2HZ LYS 39 -10.730 -7.194 -5.891 323 H ASN 40 H ASN 40 -5.126 -3.387 -7.203 324 HA ASN 40 HA ASN 40 -5.386 -2.241 -9.772 325 HB2 ASN 40 2HB ASN 40 -4.871 -0.973 -7.057 326 HB3 ASN 40 3HB ASN 40 -5.053 -0.003 -8.518 327 HD21 ASN 40 1HD2 ASN 40 -6.723 -0.068 -6.139 328 HD22 ASN 40 2HD2 ASN 40 -8.312 -0.439 -6.692 329 H LEU 41 H LEU 41 -2.545 -2.513 -7.657 330 HA LEU 41 HA LEU 41 -0.815 -1.208 -9.688 331 HB2 LEU 41 2HB LEU 41 -0.106 -2.071 -6.860 332 HB3 LEU 41 3HB LEU 41 0.871 -1.072 -7.928 333 HG LEU 41 HG LEU 41 -1.749 -0.287 -6.584 334 HD11 LEU 41 1HD1 LEU 41 -0.402 1.391 -5.417 335 HD12 LEU 41 2HD1 LEU 41 1.057 0.787 -6.207 336 HD13 LEU 41 3HD1 LEU 41 0.169 -0.244 -5.083 337 HD21 LEU 41 3HD2 LEU 41 -1.710 0.678 -8.835 338 HD22 LEU 41 1HD2 LEU 41 -0.104 1.355 -8.542 339 HD23 LEU 41 2HD2 LEU 41 -1.494 1.924 -7.614 340 H LYS 42 H LYS 42 -1.970 -4.194 -9.302 341 HA LYS 42 HA LYS 42 -1.443 -6.319 -9.751 342 HB2 LYS 42 2HB LYS 42 0.917 -5.096 -11.213 343 HB3 LYS 42 3HB LYS 42 0.414 -6.777 -11.375 344 HG2 LYS 42 2HG LYS 42 -1.279 -4.359 -12.085 345 HG3 LYS 42 3HG LYS 42 -0.385 -5.347 -13.240 346 HD2 LYS 42 2HD LYS 42 -1.765 -7.327 -12.576 347 HD3 LYS 42 3HD LYS 42 -2.683 -6.298 -11.470 348 HE2 LYS 42 2HE LYS 42 -3.920 -6.623 -13.557 349 HE3 LYS 42 3HE LYS 42 -3.439 -4.932 -13.396 350 HZ1 LYS 42 3HZ LYS 42 -3.067 -5.757 -15.632 351 HZ2 LYS 42 1HZ LYS 42 -2.052 -6.973 -15.047 352 HZ3 LYS 42 2HZ LYS 42 -1.599 -5.352 -14.903 353 H LEU 43 H LEU 43 -0.035 -4.837 -7.423 354 HA LEU 43 HA LEU 43 2.222 -6.497 -6.693 355 HB2 LEU 43 2HB LEU 43 0.562 -4.553 -5.036 356 HB3 LEU 43 3HB LEU 43 2.052 -5.309 -4.485 357 HG LEU 43 HG LEU 43 1.787 -3.317 -6.770 358 HD11 LEU 43 1HD1 LEU 43 3.078 -2.978 -4.046 359 HD12 LEU 43 2HD1 LEU 43 1.555 -2.259 -4.576 360 HD13 LEU 43 3HD1 LEU 43 3.066 -1.786 -5.351 361 HD21 LEU 43 3HD2 LEU 43 4.246 -3.376 -6.901 362 HD22 LEU 43 1HD2 LEU 43 3.534 -4.940 -7.292 363 HD23 LEU 43 2HD2 LEU 43 4.287 -4.683 -5.715 364 H THR 44 H THR 44 2.097 -7.509 -4.353 365 HA THR 44 HA THR 44 -0.365 -9.144 -4.071 366 HB THR 44 HB THR 44 0.933 -10.716 -2.704 367 HG1 THR 44 HG1 THR 44 3.428 -9.659 -3.206 368 HG21 THR 44 3HG2 THR 44 2.422 -10.064 -5.271 369 HG22 THR 44 1HG2 THR 44 0.986 -11.083 -5.142 370 HG23 THR 44 2HG2 THR 44 2.502 -11.594 -4.396 371 H GLU 45 H GLU 45 -1.274 -9.411 -1.954 372 HA GLU 45 HA GLU 45 -1.563 -7.203 -0.307 373 HB2 GLU 45 2HB GLU 45 -1.858 -10.141 0.443 374 HB3 GLU 45 3HB GLU 45 -2.412 -8.803 1.448 375 HG2 GLU 45 2HG GLU 45 -3.894 -8.093 -0.472 376 HG3 GLU 45 3HG GLU 45 -3.450 -9.597 -1.285 377 H THR 46 H THR 46 0.775 -9.867 -0.009 378 HA THR 46 HA THR 46 2.018 -9.212 2.380 379 HB THR 46 HB THR 46 3.361 -10.349 -0.109 380 HG1 THR 46 HG1 THR 46 2.739 -12.350 0.699 381 HG21 THR 46 3HG2 THR 46 4.131 -10.563 2.829 382 HG22 THR 46 1HG2 THR 46 5.003 -9.650 1.595 383 HG23 THR 46 2HG2 THR 46 4.927 -11.408 1.501 384 H GLN 47 H GLN 47 3.059 -8.189 -0.925 385 HA GLN 47 HA GLN 47 5.242 -6.582 -0.217 386 HB2 GLN 47 2HB GLN 47 3.370 -6.393 -2.609 387 HB3 GLN 47 3HB GLN 47 4.878 -5.489 -2.480 388 HG2 GLN 47 2HG GLN 47 6.180 -7.528 -2.501 389 HG3 GLN 47 3HG GLN 47 4.720 -8.516 -2.427 390 HE21 GLN 47 1HE2 GLN 47 6.907 -8.323 -4.454 391 HE22 GLN 47 2HE2 GLN 47 6.108 -8.024 -5.953 392 H VAL 48 H VAL 48 1.856 -5.625 -0.772 393 HA VAL 48 HA VAL 48 2.098 -2.846 -0.284 394 HB VAL 48 HB VAL 48 -0.324 -4.684 0.044 395 HG11 VAL 48 1HG1 VAL 48 -0.283 -1.647 -0.142 396 HG12 VAL 48 2HG1 VAL 48 -0.711 -2.601 1.280 397 HG13 VAL 48 3HG1 VAL 48 -1.732 -2.658 -0.156 398 HG21 VAL 48 3HG2 VAL 48 -0.977 -3.898 -2.209 399 HG22 VAL 48 1HG2 VAL 48 0.595 -4.698 -2.241 400 HG23 VAL 48 2HG2 VAL 48 0.501 -2.937 -2.313 401 H LYS 49 H LYS 49 1.440 -5.580 1.899 402 HA LYS 49 HA LYS 49 0.889 -4.082 4.266 403 HB2 LYS 49 2HB LYS 49 0.223 -6.478 3.808 404 HB3 LYS 49 3HB LYS 49 1.896 -6.950 4.063 405 HG2 LYS 49 2HG LYS 49 1.768 -6.232 6.404 406 HG3 LYS 49 3HG LYS 49 0.132 -5.622 6.149 407 HD2 LYS 49 2HD LYS 49 -0.010 -7.777 7.253 408 HD3 LYS 49 3HD LYS 49 -0.624 -7.942 5.607 409 HE2 LYS 49 2HE LYS 49 0.736 -9.870 6.090 410 HE3 LYS 49 3HE LYS 49 1.636 -8.873 4.947 411 HZ1 LYS 49 3HZ LYS 49 2.064 -8.966 7.884 412 HZ2 LYS 49 1HZ LYS 49 2.937 -8.007 6.798 413 HZ3 LYS 49 2HZ LYS 49 3.047 -9.689 6.718 414 H ILE 50 H ILE 50 3.854 -5.514 2.928 415 HA ILE 50 HA ILE 50 5.662 -4.950 5.026 416 HB ILE 50 HB ILE 50 6.201 -5.146 2.018 417 HG12 ILE 50 2HG1 ILE 50 6.646 -7.286 4.157 418 HG13 ILE 50 3HG1 ILE 50 5.238 -7.224 3.105 419 HG21 ILE 50 1HG2 ILE 50 8.583 -5.560 2.608 420 HG22 ILE 50 2HG2 ILE 50 8.211 -5.248 4.305 421 HG23 ILE 50 3HG2 ILE 50 8.049 -3.955 3.118 422 HD11 ILE 50 3HD1 ILE 50 6.648 -7.546 1.156 423 HD12 ILE 50 1HD1 ILE 50 6.882 -8.838 2.331 424 HD13 ILE 50 2HD1 ILE 50 8.087 -7.559 2.179 425 H TRP 51 H TRP 51 4.669 -3.083 2.135 426 HA TRP 51 HA TRP 51 6.379 -0.872 2.474 427 HB2 TRP 51 2HB TRP 51 5.087 -1.402 0.370 428 HB3 TRP 51 3HB TRP 51 3.624 -0.838 1.167 429 HD1 TRP 51 HD1 TRP 51 6.878 0.487 -0.395 430 HE1 TRP 51 HE1 TRP 51 6.660 3.000 -0.779 431 HE3 TRP 51 HE3 TRP 51 2.507 1.326 2.081 432 HZ2 TRP 51 HZ2 TRP 51 4.926 5.076 -0.101 433 HZ3 TRP 51 HZ3 TRP 51 1.639 3.620 2.193 434 HH2 TRP 51 HH2 TRP 51 2.830 5.467 1.120 435 H PHE 52 H PHE 52 2.871 -1.092 3.350 436 HA PHE 52 HA PHE 52 2.698 1.349 4.721 437 HB2 PHE 52 2HB PHE 52 1.001 -1.152 4.758 438 HB3 PHE 52 3HB PHE 52 0.661 0.124 5.924 439 HD1 PHE 52 HD1 PHE 52 0.903 -0.575 2.252 440 HD2 PHE 52 HD2 PHE 52 -0.514 2.105 5.267 441 HE1 PHE 52 HE1 PHE 52 -0.329 0.697 0.553 442 HE2 PHE 52 HE2 PHE 52 -1.751 3.364 3.560 443 HZ PHE 52 HZ PHE 52 -1.655 2.670 1.201 444 H GLN 53 H GLN 53 3.675 -1.833 5.954 445 HA GLN 53 HA GLN 53 3.956 -1.230 8.693 446 HB2 GLN 53 2HB GLN 53 4.214 -3.521 7.873 447 HB3 GLN 53 3HB GLN 53 5.600 -3.057 6.892 448 HG2 GLN 53 2HG GLN 53 6.762 -2.458 9.122 449 HG3 GLN 53 3HG GLN 53 5.446 -3.335 9.902 450 HE21 GLN 53 1HE2 GLN 53 8.246 -3.618 7.829 451 HE22 GLN 53 2HE2 GLN 53 8.409 -5.333 7.967 452 H ASN 54 H ASN 54 6.366 -1.002 6.068 453 HA ASN 54 HA ASN 54 8.516 -0.035 7.588 454 HB2 ASN 54 2HB ASN 54 7.977 0.158 4.602 455 HB3 ASN 54 3HB ASN 54 9.509 0.620 5.345 456 HD21 ASN 54 1HD2 ASN 54 8.999 -1.467 3.380 457 HD22 ASN 54 2HD2 ASN 54 9.534 -2.943 4.095 458 H ARG 55 H ARG 55 6.112 1.755 5.645 459 HA ARG 55 HA ARG 55 7.293 4.312 5.904 460 HB2 ARG 55 2HB ARG 55 4.381 3.625 5.412 461 HB3 ARG 55 3HB ARG 55 5.127 5.197 5.116 462 HG2 ARG 55 2HG ARG 55 5.794 2.602 3.699 463 HG3 ARG 55 3HG ARG 55 4.847 3.934 3.049 464 HD2 ARG 55 2HD ARG 55 7.797 4.019 3.767 465 HD3 ARG 55 3HD ARG 55 7.112 3.956 2.133 466 HE ARG 55 HE ARG 55 6.760 6.220 4.019 467 HH11 ARG 55 1HH1 ARG 55 7.130 5.125 0.731 468 HH12 ARG 55 2HH1 ARG 55 7.050 6.734 0.101 469 HH21 ARG 55 2HH2 ARG 55 6.699 8.231 3.168 470 HH22 ARG 55 1HH2 ARG 55 6.826 8.460 1.458 471 H ARG 56 H ARG 56 4.999 2.577 7.969 472 HA ARG 56 HA ARG 56 4.546 4.827 9.750 473 HB2 ARG 56 2HB ARG 56 3.818 1.876 9.977 474 HB3 ARG 56 3HB ARG 56 3.373 3.094 11.173 475 HG2 ARG 56 2HG ARG 56 2.041 4.297 9.480 476 HG3 ARG 56 3HG ARG 56 2.516 3.118 8.255 477 HD2 ARG 56 2HD ARG 56 0.867 2.525 10.744 478 HD3 ARG 56 3HD ARG 56 0.242 2.686 9.104 479 HE ARG 56 HE ARG 56 1.440 0.679 8.501 480 HH11 ARG 56 1HH1 ARG 56 1.247 1.200 11.928 481 HH12 ARG 56 2HH1 ARG 56 1.457 -0.477 12.291 482 HH21 ARG 56 1HH2 ARG 56 1.723 -1.439 9.001 483 HH22 ARG 56 2HH2 ARG 56 1.729 -1.948 10.653 484 H TYR 57 H TYR 57 6.846 2.237 9.445 485 HA TYR 57 HA TYR 57 7.975 2.479 12.110 486 HB2 TYR 57 2HB TYR 57 7.926 0.332 10.738 487 HB3 TYR 57 3HB TYR 57 9.119 1.054 9.668 488 HD1 TYR 57 HD1 TYR 57 8.554 -0.017 13.205 489 HD2 TYR 57 HD2 TYR 57 11.473 0.913 10.226 490 HE1 TYR 57 HE1 TYR 57 10.330 -0.835 14.692 491 HE2 TYR 57 HE2 TYR 57 13.245 0.090 11.711 492 HH TYR 57 HH TYR 57 13.576 -0.191 14.192 493 H LYS 58 H LYS 58 8.468 3.907 8.983 494 HA LYS 58 HA LYS 58 11.070 5.092 9.599 495 HB2 LYS 58 2HB LYS 58 9.354 5.172 7.092 496 HB3 LYS 58 3HB LYS 58 10.902 6.004 7.250 497 HG2 LYS 58 2HG LYS 58 12.046 3.866 7.594 498 HG3 LYS 58 3HG LYS 58 10.507 3.007 7.502 499 HD2 LYS 58 2HD LYS 58 10.241 3.754 5.147 500 HD3 LYS 58 3HD LYS 58 11.784 4.610 5.250 501 HE2 LYS 58 2HE LYS 58 12.921 2.445 5.700 502 HE3 LYS 58 3HE LYS 58 11.375 1.614 5.515 503 HZ1 LYS 58 3HZ LYS 58 12.594 3.283 3.390 504 HZ2 LYS 58 1HZ LYS 58 11.280 2.234 3.253 505 HZ3 LYS 58 2HZ LYS 58 12.829 1.617 3.509 506 H THR 59 H THR 59 7.755 5.986 9.869 507 HA THR 59 HA THR 59 8.231 8.854 9.500 508 HB THR 59 HB THR 59 6.050 7.901 8.729 509 HG1 THR 59 HG1 THR 59 6.369 10.146 9.444 510 HG21 THR 59 3HG2 THR 59 4.270 7.374 10.339 511 HG22 THR 59 1HG2 THR 59 5.382 7.622 11.687 512 HG23 THR 59 2HG2 THR 59 5.630 6.276 10.574 513 H LYS 60 H LYS 60 7.928 10.412 11.140 514 HA LYS 60 HA LYS 60 9.232 9.864 13.574 515 HB2 LYS 60 2HB LYS 60 9.033 12.076 12.193 516 HB3 LYS 60 3HB LYS 60 7.511 12.331 13.026 517 HG2 LYS 60 2HG LYS 60 10.197 12.045 14.403 518 HG3 LYS 60 3HG LYS 60 9.482 13.585 13.956 519 HD2 LYS 60 2HD LYS 60 8.123 11.630 15.845 520 HD3 LYS 60 3HD LYS 60 9.256 12.859 16.397 521 HE2 LYS 60 2HE LYS 60 6.992 13.652 16.716 522 HE3 LYS 60 3HE LYS 60 7.761 14.622 15.467 523 HZ1 LYS 60 3HZ LYS 60 6.542 13.392 13.797 524 HZ2 LYS 60 1HZ LYS 60 5.467 14.023 14.938 525 HZ3 LYS 60 2HZ LYS 60 5.867 12.382 14.972 526 H ARG 61 H ARG 61 8.128 8.295 14.813 527 HA ARG 61 HA ARG 61 5.392 8.870 15.763 528 HB2 ARG 61 2HB ARG 61 7.159 6.443 16.288 529 HB3 ARG 61 3HB ARG 61 5.492 6.634 16.832 530 HG2 ARG 61 2HG ARG 61 4.985 6.934 14.258 531 HG3 ARG 61 3HG ARG 61 6.542 6.128 14.051 532 HD2 ARG 61 2HD ARG 61 4.108 5.044 15.520 533 HD3 ARG 61 3HD ARG 61 4.738 4.491 13.965 534 HE ARG 61 HE ARG 61 6.795 3.853 15.275 535 HH11 ARG 61 1HH1 ARG 61 3.730 3.915 16.886 536 HH12 ARG 61 2HH1 ARG 61 4.132 2.591 17.916 537 HH21 ARG 61 1HH2 ARG 61 7.276 2.179 16.602 538 HH22 ARG 61 2HH2 ARG 61 6.121 1.625 17.768 539 H LYS 62 H LYS 62 4.857 9.015 17.979 540 HA LYS 62 HA LYS 62 6.818 10.347 19.639 541 HB2 LYS 62 2HB LYS 62 4.477 11.163 19.559 542 HB3 LYS 62 3HB LYS 62 3.919 9.637 20.242 543 HG2 LYS 62 2HG LYS 62 5.262 10.106 22.300 544 HG3 LYS 62 3HG LYS 62 5.708 11.676 21.623 545 HD2 LYS 62 2HD LYS 62 3.316 12.336 21.606 546 HD3 LYS 62 3HD LYS 62 2.873 10.760 22.271 547 HE2 LYS 62 2HE LYS 62 4.211 11.262 24.297 548 HE3 LYS 62 3HE LYS 62 4.611 12.847 23.632 549 HZ1 LYS 62 3HZ LYS 62 2.291 13.441 23.695 550 HZ2 LYS 62 1HZ LYS 62 2.780 12.924 25.232 551 HZ3 LYS 62 2HZ LYS 62 1.865 11.904 24.247 552 H GLN 63 H GLN 63 8.327 8.878 20.291 553 HA GLN 63 HA GLN 63 7.500 6.754 22.212 554 HB2 GLN 63 2HB GLN 63 9.894 6.732 20.311 555 HB3 GLN 63 3HB GLN 63 9.492 5.469 21.468 556 HG2 GLN 63 2HG GLN 63 7.415 4.994 20.201 557 HG3 GLN 63 3HG GLN 63 7.859 6.238 19.029 558 HE21 GLN 63 1HE2 GLN 63 7.481 3.360 18.670 559 HE22 GLN 63 2HE2 GLN 63 8.951 2.768 17.997 560 H LEU 64 H LEU 64 10.138 6.195 23.146 561 HA LEU 64 HA LEU 64 11.031 8.425 24.657 562 HB2 LEU 64 2HB LEU 64 12.916 7.107 25.300 563 HB3 LEU 64 3HB LEU 64 11.544 6.025 25.210 564 HG LEU 64 HG LEU 64 13.734 6.216 23.093 565 HD11 LEU 64 1HD1 LEU 64 14.651 5.350 25.190 566 HD12 LEU 64 2HD1 LEU 64 14.594 4.093 23.958 567 HD13 LEU 64 3HD1 LEU 64 13.392 4.112 25.252 568 HD21 LEU 64 3HD2 LEU 64 11.518 4.153 23.379 569 HD22 LEU 64 1HD2 LEU 64 12.824 4.117 22.188 570 HD23 LEU 64 2HD2 LEU 64 11.623 5.405 22.139 571 H SER 65 H SER 65 11.742 7.338 21.400 572 HA SER 65 HA SER 65 13.088 9.858 20.756 573 HB2 SER 65 2HB SER 65 14.985 8.379 21.322 574 HB3 SER 65 3HB SER 65 14.387 7.142 20.215 575 HG SER 65 HG SER 65 15.322 8.168 18.629 576 H SER 66 H SER 66 13.276 10.181 18.389 577 HA SER 66 HA SER 66 10.846 9.596 17.031 578 HB2 SER 66 2HB SER 66 12.031 11.672 16.581 579 HB3 SER 66 3HB SER 66 13.457 10.797 16.027 580 HG SER 66 HG SER 66 12.384 11.377 14.213 581 H GLU 67 H GLU 67 10.328 7.624 16.176 582 HA GLU 67 HA GLU 67 12.299 5.647 15.463 583 HB2 GLU 67 2HB GLU 67 10.068 5.094 16.485 584 HB3 GLU 67 3HB GLU 67 9.288 5.539 14.969 585 HG2 GLU 67 2HG GLU 67 10.618 3.749 13.820 586 HG3 GLU 67 3HG GLU 67 11.287 3.281 15.381 587 H LEU 68 H LEU 68 13.510 6.424 13.728 588 HA LEU 68 HA LEU 68 12.137 6.762 11.106 589 HB2 LEU 68 2HB LEU 68 14.900 7.803 11.866 590 HB3 LEU 68 3HB LEU 68 14.014 8.150 10.389 591 HG LEU 68 HG LEU 68 13.185 9.086 13.169 592 HD11 LEU 68 1HD1 LEU 68 15.266 10.159 12.475 593 HD12 LEU 68 2HD1 LEU 68 13.936 11.312 12.512 594 HD13 LEU 68 3HD1 LEU 68 14.515 10.684 10.965 595 HD21 LEU 68 3HD2 LEU 68 11.569 10.536 12.028 596 HD22 LEU 68 1HD2 LEU 68 11.255 8.841 11.656 597 HD23 LEU 68 2HD2 LEU 68 12.044 9.874 10.461 598 H GLY 69 H GLY 69 12.110 4.545 10.565 599 HA2 GLY 69 2HA GLY 69 14.242 2.715 10.771 600 HA3 GLY 69 3HA GLY 69 12.863 2.554 9.704 Start of MODEL 2 1 H1 MET 1 1H MET 1 8.527 0.119 19.510 2 H2 MET 1 2H MET 1 8.940 0.863 18.051 3 H3 MET 1 3H MET 1 8.532 1.806 19.396 4 HA MET 1 HA MET 1 10.881 1.854 19.079 5 HB2 MET 1 2HB MET 1 9.946 1.867 21.399 6 HB3 MET 1 3HB MET 1 10.147 0.122 21.480 7 HG2 MET 1 2HG MET 1 12.560 0.353 21.334 8 HG3 MET 1 3HG MET 1 12.411 2.096 21.098 9 HE1 MET 1 3HE MET 1 14.340 0.835 23.269 10 HE2 MET 1 1HE MET 1 14.002 1.859 24.665 11 HE3 MET 1 2HE MET 1 14.135 2.575 23.059 12 H GLY 2 H GLY 2 9.569 -1.439 19.043 13 HA2 GLY 2 2HA GLY 2 12.032 -2.745 18.310 14 HA3 GLY 2 3HA GLY 2 10.403 -3.373 18.099 15 H HIS 3 H HIS 3 12.722 -1.059 16.743 16 HA HIS 3 HA HIS 3 11.194 -0.801 14.250 17 HB2 HIS 3 2HB HIS 3 12.726 1.087 13.775 18 HB3 HIS 3 3HB HIS 3 11.919 1.262 15.320 19 HD1 HIS 3 HD1 HIS 3 15.322 0.351 13.904 20 HD2 HIS 3 HD2 HIS 3 13.617 1.687 17.444 21 HE1 HIS 3 HE1 HIS 3 17.245 0.940 15.390 22 HE2 HIS 3 HE2 HIS 3 16.193 1.668 17.555 23 H HIS 4 H HIS 4 11.887 -1.454 12.244 24 HA HIS 4 HA HIS 4 14.603 -2.178 11.643 25 HB2 HIS 4 2HB HIS 4 13.575 -4.231 12.911 26 HB3 HIS 4 3HB HIS 4 12.634 -4.501 11.452 27 HD1 HIS 4 HD1 HIS 4 15.835 -5.265 12.993 28 HD2 HIS 4 HD2 HIS 4 14.408 -5.011 9.094 29 HE1 HIS 4 HE1 HIS 4 17.491 -6.501 11.587 30 HE2 HIS 4 HE2 HIS 4 16.710 -6.177 9.224 31 H HIS 5 H HIS 5 14.914 -1.738 9.499 32 HA HIS 5 HA HIS 5 12.752 -1.237 7.647 33 HB2 HIS 5 2HB HIS 5 14.833 0.082 7.584 34 HB3 HIS 5 3HB HIS 5 15.782 -1.362 7.270 35 HD1 HIS 5 HD1 HIS 5 14.096 1.391 5.593 36 HD2 HIS 5 HD2 HIS 5 15.270 -2.456 4.558 37 HE1 HIS 5 HE1 HIS 5 14.204 1.361 3.097 38 HE2 HIS 5 HE2 HIS 5 15.084 -0.917 2.508 39 H HIS 6 H HIS 6 11.713 -2.820 6.564 40 HA HIS 6 HA HIS 6 12.898 -5.495 6.233 41 HB2 HIS 6 2HB HIS 6 10.030 -4.538 5.902 42 HB3 HIS 6 3HB HIS 6 10.562 -6.197 5.654 43 HD1 HIS 6 HD1 HIS 6 10.750 -3.659 8.529 44 HD2 HIS 6 HD2 HIS 6 10.031 -7.692 7.855 45 HE1 HIS 6 HE1 HIS 6 10.182 -4.623 10.763 46 HE2 HIS 6 HE2 HIS 6 9.528 -6.996 10.286 47 H HIS 7 H HIS 7 12.806 -6.573 4.255 48 HA HIS 7 HA HIS 7 13.281 -4.940 1.896 49 HB2 HIS 7 2HB HIS 7 13.427 -7.968 2.264 50 HB3 HIS 7 3HB HIS 7 14.014 -7.070 0.866 51 HD1 HIS 7 HD1 HIS 7 16.256 -5.794 1.131 52 HD2 HIS 7 HD2 HIS 7 15.079 -7.833 4.552 53 HE1 HIS 7 HE1 HIS 7 18.256 -5.791 2.636 54 HE2 HIS 7 HE2 HIS 7 17.452 -6.846 4.770 55 H HIS 8 H HIS 8 12.275 -5.415 -0.181 56 HA HIS 8 HA HIS 8 9.853 -6.945 -0.446 57 HB2 HIS 8 2HB HIS 8 8.309 -5.038 -0.934 58 HB3 HIS 8 3HB HIS 8 8.863 -5.013 0.735 59 HD1 HIS 8 HD1 HIS 8 8.879 -3.017 -2.390 60 HD2 HIS 8 HD2 HIS 8 10.731 -2.901 1.324 61 HE1 HIS 8 HE1 HIS 8 9.832 -0.714 -2.187 62 HE2 HIS 8 HE2 HIS 8 11.075 -0.720 -0.008 63 H SER 9 H SER 9 8.881 -6.649 -2.713 64 HA SER 9 HA SER 9 10.827 -6.632 -4.763 65 HB2 SER 9 2HB SER 9 7.820 -6.177 -5.028 66 HB3 SER 9 3HB SER 9 8.911 -6.622 -6.342 67 HG SER 9 HG SER 9 8.359 -8.573 -5.763 68 H HIS 10 H HIS 10 11.367 -5.078 -6.366 69 HA HIS 10 HA HIS 10 11.484 -2.371 -5.484 70 HB2 HIS 10 2HB HIS 10 13.291 -3.403 -6.811 71 HB3 HIS 10 3HB HIS 10 12.213 -3.567 -8.192 72 HD1 HIS 10 HD1 HIS 10 14.349 -1.089 -6.384 73 HD2 HIS 10 HD2 HIS 10 11.763 -1.155 -9.633 74 HE1 HIS 10 HE1 HIS 10 14.730 1.069 -7.598 75 HE2 HIS 10 HE2 HIS 10 13.007 1.086 -9.425 76 H MET 11 H MET 11 9.408 -1.476 -5.295 77 HA MET 11 HA MET 11 7.473 -1.302 -7.347 78 HB2 MET 11 2HB MET 11 8.007 0.526 -4.979 79 HB3 MET 11 3HB MET 11 6.674 0.795 -6.090 80 HG2 MET 11 2HG MET 11 5.736 -0.298 -4.236 81 HG3 MET 11 3HG MET 11 5.862 -1.540 -5.480 82 HE1 MET 11 3HE MET 11 5.439 -1.953 -2.232 83 HE2 MET 11 1HE MET 11 6.453 -3.372 -1.981 84 HE3 MET 11 2HE MET 11 5.394 -3.287 -3.387 85 H SER 12 H SER 12 6.926 0.382 -8.793 86 HA SER 12 HA SER 12 9.111 1.877 -10.011 87 HB2 SER 12 2HB SER 12 6.146 1.758 -10.729 88 HB3 SER 12 3HB SER 12 7.408 2.475 -11.726 89 HG SER 12 HG SER 12 6.667 0.177 -12.117 90 H HIS 13 H HIS 13 8.699 4.255 -10.635 91 HA HIS 13 HA HIS 13 8.521 5.927 -8.402 92 HB2 HIS 13 2HB HIS 13 9.633 6.585 -10.511 93 HB3 HIS 13 3HB HIS 13 8.088 6.629 -11.340 94 HD1 HIS 13 HD1 HIS 13 10.271 8.618 -9.051 95 HD2 HIS 13 HD2 HIS 13 6.540 8.978 -10.856 96 HE1 HIS 13 HE1 HIS 13 9.612 11.017 -8.769 97 HE2 HIS 13 HE2 HIS 13 7.307 11.183 -9.753 98 H THR 14 H THR 14 6.070 5.564 -10.994 99 HA THR 14 HA THR 14 4.034 7.138 -9.829 100 HB THR 14 HB THR 14 3.679 4.876 -11.851 101 HG1 THR 14 HG1 THR 14 4.169 6.375 -13.424 102 HG21 THR 14 3HG2 THR 14 1.532 5.749 -10.956 103 HG22 THR 14 1HG2 THR 14 1.739 6.174 -12.658 104 HG23 THR 14 2HG2 THR 14 2.010 7.386 -11.405 105 H GLN 15 H GLN 15 4.804 3.707 -9.544 106 HA GLN 15 HA GLN 15 2.417 2.758 -8.356 107 HB2 GLN 15 2HB GLN 15 4.074 1.309 -9.436 108 HB3 GLN 15 3HB GLN 15 5.269 1.712 -8.211 109 HG2 GLN 15 2HG GLN 15 4.057 0.507 -6.523 110 HG3 GLN 15 3HG GLN 15 2.667 0.293 -7.595 111 HE21 GLN 15 1HE2 GLN 15 2.736 -1.953 -7.496 112 HE22 GLN 15 2HE2 GLN 15 3.990 -2.886 -8.214 113 H VAL 16 H VAL 16 5.527 3.738 -6.867 114 HA VAL 16 HA VAL 16 4.824 3.521 -4.162 115 HB VAL 16 HB VAL 16 6.774 5.500 -5.442 116 HG11 VAL 16 1HG1 VAL 16 6.193 6.262 -3.177 117 HG12 VAL 16 2HG1 VAL 16 7.853 5.677 -3.220 118 HG13 VAL 16 3HG1 VAL 16 6.582 4.672 -2.516 119 HG21 VAL 16 3HG2 VAL 16 7.342 3.150 -5.915 120 HG22 VAL 16 1HG2 VAL 16 7.309 2.773 -4.193 121 HG23 VAL 16 2HG2 VAL 16 8.533 3.873 -4.837 122 H ILE 17 H ILE 17 4.288 6.215 -6.450 123 HA ILE 17 HA ILE 17 3.259 8.176 -4.732 124 HB ILE 17 HB ILE 17 2.513 7.561 -7.625 125 HG12 ILE 17 2HG1 ILE 17 4.409 9.661 -6.477 126 HG13 ILE 17 3HG1 ILE 17 4.903 8.158 -7.241 127 HG21 ILE 17 1HG2 ILE 17 1.583 9.845 -7.795 128 HG22 ILE 17 2HG2 ILE 17 1.839 10.080 -6.065 129 HG23 ILE 17 3HG2 ILE 17 0.690 8.866 -6.628 130 HD11 ILE 17 3HD1 ILE 17 5.183 10.002 -8.756 131 HD12 ILE 17 1HD1 ILE 17 3.488 10.461 -8.580 132 HD13 ILE 17 2HD1 ILE 17 3.917 8.934 -9.358 133 H GLU 18 H GLU 18 1.475 5.607 -6.492 134 HA GLU 18 HA GLU 18 -1.126 6.211 -5.582 135 HB2 GLU 18 2HB GLU 18 -0.068 3.469 -6.377 136 HB3 GLU 18 3HB GLU 18 -1.751 3.986 -6.394 137 HG2 GLU 18 2HG GLU 18 0.451 5.092 -8.153 138 HG3 GLU 18 3HG GLU 18 -0.752 3.909 -8.647 139 H LEU 19 H LEU 19 1.297 3.964 -4.320 140 HA LEU 19 HA LEU 19 -0.100 2.945 -2.100 141 HB2 LEU 19 2HB LEU 19 2.862 3.354 -2.632 142 HB3 LEU 19 3HB LEU 19 2.268 2.524 -1.205 143 HG LEU 19 HG LEU 19 1.667 1.565 -4.028 144 HD11 LEU 19 1HD1 LEU 19 3.912 0.632 -2.215 145 HD12 LEU 19 2HD1 LEU 19 4.095 1.546 -3.715 146 HD13 LEU 19 3HD1 LEU 19 3.451 -0.093 -3.759 147 HD21 LEU 19 3HD2 LEU 19 1.464 0.147 -1.346 148 HD22 LEU 19 1HD2 LEU 19 1.124 -0.567 -2.925 149 HD23 LEU 19 2HD2 LEU 19 0.114 0.740 -2.316 150 H GLU 20 H GLU 20 1.899 5.914 -2.441 151 HA GLU 20 HA GLU 20 1.814 6.656 0.336 152 HB2 GLU 20 2HB GLU 20 2.668 8.173 -2.155 153 HB3 GLU 20 3HB GLU 20 2.687 8.914 -0.559 154 HG2 GLU 20 2HG GLU 20 4.262 7.158 0.211 155 HG3 GLU 20 3HG GLU 20 4.286 6.484 -1.416 156 H ARG 21 H ARG 21 -0.168 7.463 -2.467 157 HA ARG 21 HA ARG 21 -1.768 9.510 -1.395 158 HB2 ARG 21 2HB ARG 21 -2.424 7.328 -3.413 159 HB3 ARG 21 3HB ARG 21 -3.513 8.667 -3.057 160 HG2 ARG 21 2HG ARG 21 -1.949 10.278 -3.943 161 HG3 ARG 21 3HG ARG 21 -0.690 9.050 -4.105 162 HD2 ARG 21 2HD ARG 21 -1.794 9.626 -6.271 163 HD3 ARG 21 3HD ARG 21 -1.937 7.916 -5.849 164 HE ARG 21 HE ARG 21 -4.206 9.305 -4.915 165 HH11 ARG 21 1HH1 ARG 21 -2.833 8.232 -7.931 166 HH12 ARG 21 2HH1 ARG 21 -4.382 8.124 -8.690 167 HH21 ARG 21 1HH2 ARG 21 -6.139 9.128 -5.910 168 HH22 ARG 21 2HH2 ARG 21 -6.231 8.638 -7.564 169 H LYS 22 H LYS 22 -2.204 5.998 -1.387 170 HA LYS 22 HA LYS 22 -4.589 5.915 0.171 171 HB2 LYS 22 2HB LYS 22 -3.814 4.149 -1.453 172 HB3 LYS 22 3HB LYS 22 -2.538 3.715 -0.327 173 HG2 LYS 22 2HG LYS 22 -4.392 2.129 -0.214 174 HG3 LYS 22 3HG LYS 22 -4.204 2.982 1.319 175 HD2 LYS 22 2HD LYS 22 -6.140 4.386 0.845 176 HD3 LYS 22 3HD LYS 22 -6.261 3.747 -0.796 177 HE2 LYS 22 2HE LYS 22 -6.899 1.554 0.052 178 HE3 LYS 22 3HE LYS 22 -6.617 2.070 1.716 179 HZ1 LYS 22 3HZ LYS 22 -8.444 3.625 1.522 180 HZ2 LYS 22 1HZ LYS 22 -8.972 2.065 1.143 181 HZ3 LYS 22 2HZ LYS 22 -8.699 3.187 -0.091 182 H PHE 23 H PHE 23 -1.150 5.632 0.942 183 HA PHE 23 HA PHE 23 -1.399 4.977 3.699 184 HB2 PHE 23 2HB PHE 23 0.628 4.488 2.370 185 HB3 PHE 23 3HB PHE 23 0.941 6.213 2.198 186 HD1 PHE 23 HD2 PHE 23 0.436 3.609 4.856 187 HD2 PHE 23 HD1 PHE 23 2.399 7.239 3.745 188 HE1 PHE 23 HE2 PHE 23 1.687 3.573 6.962 189 HE2 PHE 23 HE1 PHE 23 3.639 7.202 5.854 190 HZ PHE 23 HZ PHE 23 3.287 5.374 7.468 191 H SER 24 H SER 24 -1.037 8.085 2.005 192 HA SER 24 HA SER 24 -0.796 9.807 4.221 193 HB2 SER 24 2HB SER 24 -0.340 10.576 1.928 194 HB3 SER 24 3HB SER 24 -2.034 10.357 1.489 195 HG SER 24 HG SER 24 -1.525 12.539 1.994 196 H HIS 25 H HIS 25 -3.620 8.443 2.584 197 HA HIS 25 HA HIS 25 -5.578 9.956 4.030 198 HB2 HIS 25 2HB HIS 25 -5.894 9.086 1.701 199 HB3 HIS 25 3HB HIS 25 -5.858 7.439 2.322 200 HD1 HIS 25 HD1 HIS 25 -7.985 10.573 2.429 201 HD2 HIS 25 HD2 HIS 25 -8.304 6.513 3.257 202 HE1 HIS 25 HE1 HIS 25 -10.412 10.169 2.887 203 HE2 HIS 25 HE2 HIS 25 -10.567 7.731 3.468 204 H GLN 26 H GLN 26 -4.102 6.728 4.314 205 HA GLN 26 HA GLN 26 -5.001 6.466 7.061 206 HB2 GLN 26 2HB GLN 26 -6.094 4.268 6.747 207 HB3 GLN 26 3HB GLN 26 -6.937 5.551 5.887 208 HG2 GLN 26 2HG GLN 26 -5.751 4.791 3.782 209 HG3 GLN 26 3HG GLN 26 -5.158 3.404 4.704 210 HE21 GLN 26 1HE2 GLN 26 -6.656 1.813 5.356 211 HE22 GLN 26 2HE2 GLN 26 -8.221 1.684 4.650 212 H LYS 27 H LYS 27 -3.566 5.419 8.272 213 HA LYS 27 HA LYS 27 -1.023 4.533 7.215 214 HB2 LYS 27 2HB LYS 27 -2.195 4.541 10.029 215 HB3 LYS 27 3HB LYS 27 -0.515 4.152 9.665 216 HG2 LYS 27 2HG LYS 27 -1.797 6.816 8.967 217 HG3 LYS 27 3HG LYS 27 -0.944 6.512 10.485 218 HD2 LYS 27 2HD LYS 27 1.144 6.210 9.389 219 HD3 LYS 27 3HD LYS 27 0.387 6.023 7.807 220 HE2 LYS 27 2HE LYS 27 0.368 8.608 9.393 221 HE3 LYS 27 3HE LYS 27 1.547 8.217 8.137 222 HZ1 LYS 27 3HZ LYS 27 -0.325 7.948 6.581 223 HZ2 LYS 27 1HZ LYS 27 -0.194 9.515 7.194 224 HZ3 LYS 27 2HZ LYS 27 -1.385 8.478 7.786 225 H TYR 28 H TYR 28 -3.917 3.035 8.464 226 HA TYR 28 HA TYR 28 -2.797 0.296 8.258 227 HB2 TYR 28 2HB TYR 28 -5.229 1.231 9.859 228 HB3 TYR 28 3HB TYR 28 -4.507 -0.375 9.889 229 HD1 TYR 28 HD2 TYR 28 -2.371 -0.767 11.102 230 HD2 TYR 28 HD1 TYR 28 -4.209 3.095 11.092 231 HE1 TYR 28 HE2 TYR 28 -0.937 -0.071 12.967 232 HE2 TYR 28 HE1 TYR 28 -2.774 3.785 12.958 233 HH TYR 28 HH TYR 28 -1.453 2.851 14.716 234 H LEU 29 H LEU 29 -3.543 -0.843 6.511 235 HA LEU 29 HA LEU 29 -6.074 -0.142 5.203 236 HB2 LEU 29 2HB LEU 29 -4.082 -2.344 4.525 237 HB3 LEU 29 3HB LEU 29 -5.471 -1.887 3.550 238 HG LEU 29 HG LEU 29 -2.970 -0.240 4.054 239 HD11 LEU 29 1HD1 LEU 29 -2.624 -0.411 1.650 240 HD12 LEU 29 2HD1 LEU 29 -4.095 -1.373 1.479 241 HD13 LEU 29 3HD1 LEU 29 -2.716 -2.014 2.378 242 HD21 LEU 29 3HD2 LEU 29 -4.851 1.292 4.094 243 HD22 LEU 29 1HD2 LEU 29 -5.500 0.602 2.604 244 HD23 LEU 29 2HD2 LEU 29 -3.969 1.481 2.584 245 H SER 30 H SER 30 -7.870 -1.503 5.060 246 HA SER 30 HA SER 30 -8.065 -3.845 6.815 247 HB2 SER 30 2HB SER 30 -10.088 -2.615 4.886 248 HB3 SER 30 3HB SER 30 -10.417 -3.959 5.985 249 HG SER 30 HG SER 30 -10.004 -2.583 7.721 250 H ALA 31 H ALA 31 -8.836 -5.940 5.853 251 HA ALA 31 HA ALA 31 -7.083 -6.955 3.958 252 HB1 ALA 31 3HB ALA 31 -9.771 -8.107 4.778 253 HB2 ALA 31 1HB ALA 31 -8.230 -8.345 5.609 254 HB3 ALA 31 2HB ALA 31 -8.469 -8.994 3.986 255 HA PRO 32 HA PRO 32 -10.566 -6.633 0.427 256 HB2 PRO 32 2HB PRO 32 -12.308 -4.470 0.753 257 HB3 PRO 32 3HB PRO 32 -12.706 -6.146 1.174 258 HG2 PRO 32 2HG PRO 32 -11.713 -3.944 2.968 259 HG3 PRO 32 3HG PRO 32 -13.037 -5.102 3.240 260 HD2 PRO 32 2HD PRO 32 -10.659 -5.501 4.380 261 HD3 PRO 32 3HD PRO 32 -11.560 -6.879 3.699 262 H GLU 33 H GLU 33 -9.528 -3.651 2.117 263 HA GLU 33 HA GLU 33 -9.189 -2.032 -0.214 264 HB2 GLU 33 2HB GLU 33 -7.969 -1.698 2.557 265 HB3 GLU 33 3HB GLU 33 -8.054 -0.452 1.310 266 HG2 GLU 33 2HG GLU 33 -10.548 -0.550 1.439 267 HG3 GLU 33 3HG GLU 33 -10.403 -1.714 2.759 268 H ARG 34 H ARG 34 -7.030 -4.057 1.696 269 HA ARG 34 HA ARG 34 -4.555 -3.198 0.576 270 HB2 ARG 34 2HB ARG 34 -4.865 -4.282 2.827 271 HB3 ARG 34 3HB ARG 34 -5.206 -5.805 2.019 272 HG2 ARG 34 2HG ARG 34 -2.917 -5.811 1.079 273 HG3 ARG 34 3HG ARG 34 -2.586 -4.272 1.880 274 HD2 ARG 34 2HD ARG 34 -1.649 -6.163 3.155 275 HD3 ARG 34 3HD ARG 34 -2.906 -5.334 4.082 276 HE ARG 34 HE ARG 34 -3.922 -7.547 2.573 277 HH11 ARG 34 1HH1 ARG 34 -2.407 -6.776 5.593 278 HH12 ARG 34 2HH1 ARG 34 -2.967 -8.226 6.344 279 HH21 ARG 34 1HH2 ARG 34 -4.594 -9.376 3.557 280 HH22 ARG 34 2HH2 ARG 34 -4.178 -9.678 5.208 281 H ALA 35 H ALA 35 -6.749 -5.918 -0.095 282 HA ALA 35 HA ALA 35 -5.300 -7.134 -2.213 283 HB1 ALA 35 3HB ALA 35 -7.408 -8.306 -2.712 284 HB2 ALA 35 1HB ALA 35 -8.287 -7.197 -1.652 285 HB3 ALA 35 2HB ALA 35 -7.084 -8.297 -0.979 286 H HIS 36 H HIS 36 -7.902 -4.686 -2.201 287 HA HIS 36 HA HIS 36 -8.258 -4.329 -4.965 288 HB2 HIS 36 2HB HIS 36 -9.815 -3.424 -3.303 289 HB3 HIS 36 3HB HIS 36 -8.575 -2.354 -2.663 290 HD1 HIS 36 HD1 HIS 36 -10.857 -2.768 -5.654 291 HD2 HIS 36 HD2 HIS 36 -8.309 0.082 -4.016 292 HE1 HIS 36 HE1 HIS 36 -11.356 -0.634 -6.870 293 HE2 HIS 36 HE2 HIS 36 -9.931 1.099 -5.747 294 H LEU 37 H LEU 37 -6.068 -2.628 -2.721 295 HA LEU 37 HA LEU 37 -4.923 -0.828 -4.616 296 HB2 LEU 37 2HB LEU 37 -4.973 -0.463 -2.152 297 HB3 LEU 37 3HB LEU 37 -3.863 -1.804 -1.936 298 HG LEU 37 HG LEU 37 -2.126 -0.494 -3.234 299 HD11 LEU 37 1HD1 LEU 37 -4.088 1.808 -3.004 300 HD12 LEU 37 2HD1 LEU 37 -3.594 1.001 -4.494 301 HD13 LEU 37 3HD1 LEU 37 -2.413 1.914 -3.562 302 HD21 LEU 37 3HD2 LEU 37 -2.094 -0.561 -0.790 303 HD22 LEU 37 1HD2 LEU 37 -3.167 0.840 -0.717 304 HD23 LEU 37 2HD2 LEU 37 -1.540 1.000 -1.385 305 H ALA 38 H ALA 38 -3.946 -4.002 -3.345 306 HA ALA 38 HA ALA 38 -1.400 -4.233 -4.519 307 HB1 ALA 38 3HB ALA 38 -3.330 -6.465 -3.797 308 HB2 ALA 38 1HB ALA 38 -2.183 -5.693 -2.701 309 HB3 ALA 38 2HB ALA 38 -1.594 -6.642 -4.067 310 H LYS 39 H LYS 39 -4.560 -5.472 -5.735 311 HA LYS 39 HA LYS 39 -3.524 -6.711 -8.053 312 HB2 LYS 39 2HB LYS 39 -5.835 -6.967 -8.787 313 HB3 LYS 39 3HB LYS 39 -5.703 -7.311 -7.072 314 HG2 LYS 39 2HG LYS 39 -6.632 -5.070 -6.563 315 HG3 LYS 39 3HG LYS 39 -6.802 -4.762 -8.289 316 HD2 LYS 39 2HD LYS 39 -8.215 -6.987 -6.766 317 HD3 LYS 39 3HD LYS 39 -8.935 -5.438 -7.190 318 HE2 LYS 39 2HE LYS 39 -9.747 -6.903 -8.843 319 HE3 LYS 39 3HE LYS 39 -8.413 -6.082 -9.648 320 HZ1 LYS 39 3HZ LYS 39 -7.026 -8.005 -9.294 321 HZ2 LYS 39 1HZ LYS 39 -8.461 -8.491 -10.044 322 HZ3 LYS 39 2HZ LYS 39 -8.234 -8.772 -8.392 323 H ASN 40 H ASN 40 -4.851 -3.448 -7.565 324 HA ASN 40 HA ASN 40 -4.816 -2.526 -10.227 325 HB2 ASN 40 2HB ASN 40 -4.493 -0.998 -7.609 326 HB3 ASN 40 3HB ASN 40 -4.637 -0.201 -9.174 327 HD21 ASN 40 1HD2 ASN 40 -6.420 -0.059 -6.856 328 HD22 ASN 40 2HD2 ASN 40 -7.969 -0.566 -7.421 329 H LEU 41 H LEU 41 -2.240 -2.730 -7.830 330 HA LEU 41 HA LEU 41 -0.275 -1.465 -9.653 331 HB2 LEU 41 2HB LEU 41 -0.148 -2.051 -6.674 332 HB3 LEU 41 3HB LEU 41 1.129 -1.273 -7.597 333 HG LEU 41 HG LEU 41 -1.663 -0.132 -7.174 334 HD11 LEU 41 1HD1 LEU 41 0.961 0.734 -5.927 335 HD12 LEU 41 2HD1 LEU 41 -0.363 -0.095 -5.102 336 HD13 LEU 41 3HD1 LEU 41 -0.604 1.532 -5.732 337 HD21 LEU 41 3HD2 LEU 41 0.747 1.108 -8.549 338 HD22 LEU 41 1HD2 LEU 41 -0.785 1.920 -8.212 339 HD23 LEU 41 2HD2 LEU 41 -0.740 0.565 -9.334 340 H LYS 42 H LYS 42 -1.337 -4.488 -9.293 341 HA LYS 42 HA LYS 42 -0.611 -6.591 -9.594 342 HB2 LYS 42 2HB LYS 42 1.650 -5.127 -10.995 343 HB3 LYS 42 3HB LYS 42 1.485 -6.878 -11.039 344 HG2 LYS 42 2HG LYS 42 0.560 -6.031 -13.074 345 HG3 LYS 42 3HG LYS 42 -0.785 -6.584 -12.088 346 HD2 LYS 42 2HD LYS 42 -1.292 -4.254 -11.460 347 HD3 LYS 42 3HD LYS 42 0.094 -3.688 -12.391 348 HE2 LYS 42 2HE LYS 42 -0.968 -4.455 -14.468 349 HE3 LYS 42 3HE LYS 42 -2.333 -5.095 -13.549 350 HZ1 LYS 42 3HZ LYS 42 -2.872 -2.864 -12.830 351 HZ2 LYS 42 1HZ LYS 42 -2.809 -2.922 -14.518 352 HZ3 LYS 42 2HZ LYS 42 -1.533 -2.235 -13.648 353 H LEU 43 H LEU 43 0.322 -5.137 -7.141 354 HA LEU 43 HA LEU 43 2.630 -6.685 -6.223 355 HB2 LEU 43 2HB LEU 43 0.758 -4.782 -4.750 356 HB3 LEU 43 3HB LEU 43 2.199 -5.501 -4.047 357 HG LEU 43 HG LEU 43 2.213 -3.578 -6.407 358 HD11 LEU 43 1HD1 LEU 43 2.839 -2.989 -3.501 359 HD12 LEU 43 2HD1 LEU 43 1.437 -2.416 -4.407 360 HD13 LEU 43 3HD1 LEU 43 3.052 -1.875 -4.857 361 HD21 LEU 43 3HD2 LEU 43 4.634 -3.426 -6.012 362 HD22 LEU 43 1HD2 LEU 43 4.152 -5.074 -6.409 363 HD23 LEU 43 2HD2 LEU 43 4.516 -4.642 -4.736 364 H THR 44 H THR 44 2.273 -7.748 -3.949 365 HA THR 44 HA THR 44 -0.303 -9.233 -3.815 366 HB THR 44 HB THR 44 0.820 -10.868 -2.377 367 HG1 THR 44 HG1 THR 44 3.296 -10.449 -2.281 368 HG21 THR 44 3HG2 THR 44 1.112 -11.232 -4.808 369 HG22 THR 44 1HG2 THR 44 2.523 -11.793 -3.907 370 HG23 THR 44 2HG2 THR 44 2.588 -10.262 -4.780 371 H GLU 45 H GLU 45 -1.280 -9.438 -1.659 372 HA GLU 45 HA GLU 45 -1.423 -7.106 -0.087 373 HB2 GLU 45 2HB GLU 45 -2.214 -9.972 0.562 374 HB3 GLU 45 3HB GLU 45 -2.533 -8.628 1.656 375 HG2 GLU 45 2HG GLU 45 -3.856 -7.534 -0.176 376 HG3 GLU 45 3HG GLU 45 -3.641 -8.997 -1.138 377 H THR 46 H THR 46 0.800 -9.777 0.065 378 HA THR 46 HA THR 46 2.004 -9.309 2.574 379 HB THR 46 HB THR 46 3.325 -10.358 0.021 380 HG1 THR 46 HG1 THR 46 2.814 -12.441 1.075 381 HG21 THR 46 3HG2 THR 46 4.898 -11.504 1.543 382 HG22 THR 46 1HG2 THR 46 4.101 -10.773 2.938 383 HG23 THR 46 2HG2 THR 46 4.969 -9.758 1.783 384 H GLN 47 H GLN 47 3.041 -8.237 -0.704 385 HA GLN 47 HA GLN 47 5.265 -6.688 0.105 386 HB2 GLN 47 2HB GLN 47 3.614 -6.400 -2.440 387 HB3 GLN 47 3HB GLN 47 5.258 -5.810 -2.202 388 HG2 GLN 47 2HG GLN 47 6.113 -8.067 -2.065 389 HG3 GLN 47 3HG GLN 47 4.485 -8.738 -2.087 390 HE21 GLN 47 1HE2 GLN 47 5.705 -6.122 -4.146 391 HE22 GLN 47 2HE2 GLN 47 5.578 -7.001 -5.617 392 H VAL 48 H VAL 48 1.917 -5.738 -0.633 393 HA VAL 48 HA VAL 48 2.157 -2.951 -0.274 394 HB VAL 48 HB VAL 48 -0.280 -4.757 0.115 395 HG11 VAL 48 1HG1 VAL 48 -0.210 -1.722 -0.114 396 HG12 VAL 48 2HG1 VAL 48 -0.661 -2.652 1.317 397 HG13 VAL 48 3HG1 VAL 48 -1.671 -2.717 -0.126 398 HG21 VAL 48 3HG2 VAL 48 0.551 -3.040 -2.257 399 HG22 VAL 48 1HG2 VAL 48 -0.930 -3.997 -2.145 400 HG23 VAL 48 2HG2 VAL 48 0.640 -4.800 -2.169 401 H LYS 49 H LYS 49 1.237 -5.527 2.092 402 HA LYS 49 HA LYS 49 0.871 -3.773 4.297 403 HB2 LYS 49 2HB LYS 49 -0.019 -6.111 4.224 404 HB3 LYS 49 3HB LYS 49 1.617 -6.725 4.411 405 HG2 LYS 49 2HG LYS 49 1.788 -5.703 6.636 406 HG3 LYS 49 3HG LYS 49 0.203 -4.960 6.443 407 HD2 LYS 49 2HD LYS 49 0.003 -6.888 7.903 408 HD3 LYS 49 3HD LYS 49 -0.832 -7.230 6.390 409 HE2 LYS 49 2HE LYS 49 1.993 -8.180 6.936 410 HE3 LYS 49 3HE LYS 49 0.586 -9.118 7.394 411 HZ1 LYS 49 3HZ LYS 49 -0.084 -9.007 4.996 412 HZ2 LYS 49 1HZ LYS 49 1.295 -9.929 5.336 413 HZ3 LYS 49 2HZ LYS 49 1.457 -8.389 4.669 414 H ILE 50 H ILE 50 3.758 -5.450 3.087 415 HA ILE 50 HA ILE 50 5.566 -4.850 5.190 416 HB ILE 50 HB ILE 50 6.112 -5.277 2.202 417 HG12 ILE 50 2HG1 ILE 50 6.533 -7.214 4.524 418 HG13 ILE 50 3HG1 ILE 50 5.118 -7.221 3.483 419 HG21 ILE 50 1HG2 ILE 50 8.142 -5.205 4.474 420 HG22 ILE 50 2HG2 ILE 50 7.995 -4.028 3.169 421 HG23 ILE 50 3HG2 ILE 50 8.493 -5.679 2.810 422 HD11 ILE 50 3HD1 ILE 50 6.520 -7.759 1.568 423 HD12 ILE 50 1HD1 ILE 50 6.674 -8.945 2.861 424 HD13 ILE 50 2HD1 ILE 50 7.949 -7.751 2.608 425 H TRP 51 H TRP 51 4.896 -3.202 2.101 426 HA TRP 51 HA TRP 51 6.649 -1.048 2.299 427 HB2 TRP 51 2HB TRP 51 5.365 -1.779 0.242 428 HB3 TRP 51 3HB TRP 51 3.918 -1.054 0.928 429 HD1 TRP 51 HD1 TRP 51 7.090 -0.157 -0.959 430 HE1 TRP 51 HE1 TRP 51 7.038 2.325 -1.592 431 HE3 TRP 51 HE3 TRP 51 3.081 1.284 1.818 432 HZ2 TRP 51 HZ2 TRP 51 5.499 4.609 -0.974 433 HZ3 TRP 51 HZ3 TRP 51 2.378 3.629 1.768 434 HH2 TRP 51 HH2 TRP 51 3.564 5.259 0.403 435 H PHE 52 H PHE 52 3.159 -1.101 3.129 436 HA PHE 52 HA PHE 52 2.947 1.408 4.341 437 HB2 PHE 52 2HB PHE 52 1.324 -1.131 4.504 438 HB3 PHE 52 3HB PHE 52 0.947 0.173 5.625 439 HD1 PHE 52 HD1 PHE 52 1.572 -0.288 1.927 440 HD2 PHE 52 HD2 PHE 52 -0.702 1.707 4.950 441 HE1 PHE 52 HE1 PHE 52 0.260 0.853 0.195 442 HE2 PHE 52 HE2 PHE 52 -2.013 2.837 3.204 443 HZ PHE 52 HZ PHE 52 -1.529 2.420 0.827 444 H GLN 53 H GLN 53 3.896 -1.693 5.819 445 HA GLN 53 HA GLN 53 3.758 -0.923 8.541 446 HB2 GLN 53 2HB GLN 53 3.843 -3.277 7.785 447 HB3 GLN 53 3HB GLN 53 5.483 -3.052 7.203 448 HG2 GLN 53 2HG GLN 53 5.394 -4.307 9.328 449 HG3 GLN 53 3HG GLN 53 6.312 -2.812 9.478 450 HE21 GLN 53 1HE2 GLN 53 3.252 -4.368 10.243 451 HE22 GLN 53 2HE2 GLN 53 2.837 -3.331 11.557 452 H ASN 54 H ASN 54 6.523 -0.968 6.282 453 HA ASN 54 HA ASN 54 8.345 0.223 8.188 454 HB2 ASN 54 2HB ASN 54 8.681 -0.379 5.232 455 HB3 ASN 54 3HB ASN 54 9.961 0.258 6.264 456 HD21 ASN 54 1HD2 ASN 54 8.006 -2.499 5.558 457 HD22 ASN 54 2HD2 ASN 54 8.842 -3.618 6.548 458 H ARG 55 H ARG 55 6.265 1.474 5.662 459 HA ARG 55 HA ARG 55 7.273 4.124 5.730 460 HB2 ARG 55 2HB ARG 55 4.947 2.769 4.547 461 HB3 ARG 55 3HB ARG 55 4.515 4.350 5.157 462 HG2 ARG 55 2HG ARG 55 5.082 4.717 2.911 463 HG3 ARG 55 3HG ARG 55 6.477 5.279 3.824 464 HD2 ARG 55 2HD ARG 55 6.250 2.609 2.393 465 HD3 ARG 55 3HD ARG 55 7.111 4.024 1.794 466 HE ARG 55 HE ARG 55 8.426 3.652 4.042 467 HH11 ARG 55 1HH1 ARG 55 7.330 1.219 1.843 468 HH12 ARG 55 2HH1 ARG 55 8.661 0.171 2.168 469 HH21 ARG 55 1HH2 ARG 55 10.137 2.281 4.429 470 HH22 ARG 55 2HH2 ARG 55 10.222 0.770 3.600 471 H ARG 56 H ARG 56 4.952 2.412 7.831 472 HA ARG 56 HA ARG 56 4.283 4.629 9.514 473 HB2 ARG 56 2HB ARG 56 4.353 1.636 10.095 474 HB3 ARG 56 3HB ARG 56 3.695 2.836 11.204 475 HG2 ARG 56 2HG ARG 56 1.934 3.407 9.602 476 HG3 ARG 56 3HG ARG 56 2.623 2.300 8.412 477 HD2 ARG 56 2HD ARG 56 0.669 1.310 9.558 478 HD3 ARG 56 3HD ARG 56 2.140 0.382 9.867 479 HE ARG 56 HE ARG 56 0.860 2.240 11.790 480 HH11 ARG 56 1HH1 ARG 56 2.875 -0.534 11.235 481 HH12 ARG 56 2HH1 ARG 56 2.960 -0.928 12.913 482 HH21 ARG 56 1HH2 ARG 56 1.008 1.711 13.925 483 HH22 ARG 56 2HH2 ARG 56 1.920 0.326 14.415 484 H TYR 57 H TYR 57 6.788 2.124 9.643 485 HA TYR 57 HA TYR 57 8.288 3.115 11.839 486 HB2 TYR 57 2HB TYR 57 8.862 0.908 11.421 487 HB3 TYR 57 3HB TYR 57 8.638 1.065 9.696 488 HD1 TYR 57 HD1 TYR 57 11.081 1.505 12.454 489 HD2 TYR 57 HD2 TYR 57 10.534 1.551 8.220 490 HE1 TYR 57 HE1 TYR 57 13.513 1.533 12.138 491 HE2 TYR 57 HE2 TYR 57 12.967 1.574 7.909 492 HH TYR 57 HH TYR 57 14.986 2.253 9.193 493 H LYS 58 H LYS 58 8.047 4.257 8.581 494 HA LYS 58 HA LYS 58 10.505 5.821 8.776 495 HB2 LYS 58 2HB LYS 58 9.538 4.646 6.641 496 HB3 LYS 58 3HB LYS 58 8.549 6.097 6.497 497 HG2 LYS 58 2HG LYS 58 10.604 7.473 6.499 498 HG3 LYS 58 3HG LYS 58 11.569 5.999 6.626 499 HD2 LYS 58 2HD LYS 58 10.799 5.253 4.428 500 HD3 LYS 58 3HD LYS 58 9.705 6.636 4.308 501 HE2 LYS 58 2HE LYS 58 12.739 6.751 4.386 502 HE3 LYS 58 3HE LYS 58 11.719 7.027 2.973 503 HZ1 LYS 58 3HZ LYS 58 11.803 8.703 5.429 504 HZ2 LYS 58 1HZ LYS 58 10.752 8.950 4.130 505 HZ3 LYS 58 2HZ LYS 58 12.416 9.117 3.911 506 H THR 59 H THR 59 7.060 6.443 9.282 507 HA THR 59 HA THR 59 6.991 9.192 8.538 508 HB THR 59 HB THR 59 4.828 9.272 9.986 509 HG1 THR 59 HG1 THR 59 5.661 7.237 11.148 510 HG21 THR 59 3HG2 THR 59 4.775 8.954 7.555 511 HG22 THR 59 1HG2 THR 59 3.531 7.990 8.355 512 HG23 THR 59 2HG2 THR 59 5.004 7.218 7.768 513 H LYS 60 H LYS 60 6.907 11.103 9.701 514 HA LYS 60 HA LYS 60 8.496 11.465 12.010 515 HB2 LYS 60 2HB LYS 60 6.394 13.347 10.853 516 HB3 LYS 60 3HB LYS 60 7.661 13.801 11.990 517 HG2 LYS 60 2HG LYS 60 9.368 13.187 10.258 518 HG3 LYS 60 3HG LYS 60 8.053 12.872 9.126 519 HD2 LYS 60 2HD LYS 60 8.730 15.547 10.415 520 HD3 LYS 60 3HD LYS 60 8.997 15.099 8.730 521 HE2 LYS 60 2HE LYS 60 6.283 15.377 10.080 522 HE3 LYS 60 3HE LYS 60 7.014 16.541 8.979 523 HZ1 LYS 60 3HZ LYS 60 6.380 13.747 8.213 524 HZ2 LYS 60 1HZ LYS 60 6.848 15.010 7.194 525 HZ3 LYS 60 2HZ LYS 60 5.340 15.052 7.956 526 H ARG 61 H ARG 61 4.919 11.435 11.631 527 HA ARG 61 HA ARG 61 4.397 11.504 14.466 528 HB2 ARG 61 2HB ARG 61 2.699 12.241 12.783 529 HB3 ARG 61 3HB ARG 61 2.567 10.582 12.207 530 HG2 ARG 61 2HG ARG 61 1.761 9.892 14.473 531 HG3 ARG 61 3HG ARG 61 1.824 11.580 14.982 532 HD2 ARG 61 2HD ARG 61 0.069 10.436 12.785 533 HD3 ARG 61 3HD ARG 61 -0.469 10.921 14.394 534 HE ARG 61 HE ARG 61 0.289 12.671 12.177 535 HH11 ARG 61 1HH1 ARG 61 -0.776 12.475 15.475 536 HH12 ARG 61 2HH1 ARG 61 -1.262 14.129 15.517 537 HH21 ARG 61 1HH2 ARG 61 -0.358 14.774 12.261 538 HH22 ARG 61 2HH2 ARG 61 -1.034 15.408 13.718 539 H LYS 62 H LYS 62 4.945 9.833 15.794 540 HA LYS 62 HA LYS 62 4.393 7.069 15.282 541 HB2 LYS 62 2HB LYS 62 6.327 7.536 13.706 542 HB3 LYS 62 3HB LYS 62 7.317 7.908 15.111 543 HG2 LYS 62 2HG LYS 62 6.748 5.499 15.900 544 HG3 LYS 62 3HG LYS 62 6.198 5.239 14.243 545 HD2 LYS 62 2HD LYS 62 8.987 5.989 15.169 546 HD3 LYS 62 3HD LYS 62 8.486 4.488 14.388 547 HE2 LYS 62 2HE LYS 62 8.162 5.596 12.280 548 HE3 LYS 62 3HE LYS 62 8.296 7.191 13.015 549 HZ1 LYS 62 3HZ LYS 62 10.306 6.551 11.825 550 HZ2 LYS 62 1HZ LYS 62 10.507 5.220 12.847 551 HZ3 LYS 62 2HZ LYS 62 10.607 6.788 13.467 552 H GLN 63 H GLN 63 4.384 5.991 17.184 553 HA GLN 63 HA GLN 63 4.359 5.599 19.395 554 HB2 GLN 63 2HB GLN 63 6.664 5.033 20.298 555 HB3 GLN 63 3HB GLN 63 6.201 4.275 18.786 556 HG2 GLN 63 2HG GLN 63 7.608 5.899 17.551 557 HG3 GLN 63 3HG GLN 63 8.102 6.623 19.077 558 HE21 GLN 63 1HE2 GLN 63 9.752 5.342 17.009 559 HE22 GLN 63 2HE2 GLN 63 10.592 4.064 17.805 560 H LEU 64 H LEU 64 7.101 7.894 19.548 561 HA LEU 64 HA LEU 64 5.742 9.828 21.149 562 HB2 LEU 64 2HB LEU 64 6.202 8.081 22.876 563 HB3 LEU 64 3HB LEU 64 7.905 8.125 22.466 564 HG LEU 64 HG LEU 64 8.030 10.486 23.296 565 HD11 LEU 64 1HD1 LEU 64 6.188 11.437 24.630 566 HD12 LEU 64 2HD1 LEU 64 5.155 10.078 24.178 567 HD13 LEU 64 3HD1 LEU 64 5.726 11.203 22.944 568 HD21 LEU 64 3HD2 LEU 64 6.972 8.509 25.343 569 HD22 LEU 64 1HD2 LEU 64 7.925 9.957 25.688 570 HD23 LEU 64 2HD2 LEU 64 8.641 8.630 24.778 571 H SER 65 H SER 65 8.865 8.452 20.152 572 HA SER 65 HA SER 65 9.535 10.797 18.593 573 HB2 SER 65 2HB SER 65 11.725 11.258 19.668 574 HB3 SER 65 3HB SER 65 10.409 11.511 20.814 575 HG SER 65 HG SER 65 12.247 9.363 20.680 576 H SER 66 H SER 66 11.264 10.416 17.103 577 HA SER 66 HA SER 66 13.080 8.271 17.128 578 HB2 SER 66 2HB SER 66 12.240 6.872 15.236 579 HB3 SER 66 3HB SER 66 11.158 6.800 16.627 580 HG SER 66 HG SER 66 9.760 8.180 15.597 581 H GLU 67 H GLU 67 11.102 10.042 14.729 582 HA GLU 67 HA GLU 67 13.391 10.593 13.018 583 HB2 GLU 67 2HB GLU 67 10.526 11.599 12.752 584 HB3 GLU 67 3HB GLU 67 11.759 11.586 11.496 585 HG2 GLU 67 2HG GLU 67 10.418 9.165 12.743 586 HG3 GLU 67 3HG GLU 67 10.147 9.800 11.121 587 H LEU 68 H LEU 68 14.775 12.081 13.844 588 HA LEU 68 HA LEU 68 13.986 14.249 15.568 589 HB2 LEU 68 2HB LEU 68 16.133 12.965 15.780 590 HB3 LEU 68 3HB LEU 68 16.682 13.682 14.276 591 HG LEU 68 HG LEU 68 16.569 15.956 15.381 592 HD11 LEU 68 1HD1 LEU 68 14.944 15.496 17.140 593 HD12 LEU 68 2HD1 LEU 68 16.444 16.100 17.835 594 HD13 LEU 68 3HD1 LEU 68 16.065 14.378 17.925 595 HD21 LEU 68 3HD2 LEU 68 18.711 14.793 15.183 596 HD22 LEU 68 1HD2 LEU 68 18.417 13.934 16.698 597 HD23 LEU 68 2HD2 LEU 68 18.640 15.686 16.700 598 H GLY 69 H GLY 69 13.203 16.170 14.883 599 HA2 GLY 69 2HA GLY 69 13.343 17.088 12.142 600 HA3 GLY 69 3HA GLY 69 12.605 17.927 13.497 Start of MODEL 3 1 H1 MET 1 1H MET 1 27.405 -8.810 13.213 2 H2 MET 1 2H MET 1 28.320 -9.402 14.507 3 H3 MET 1 3H MET 1 27.794 -10.453 13.292 4 HA MET 1 HA MET 1 29.698 -8.220 12.934 5 HB2 MET 1 2HB MET 1 30.603 -10.129 14.269 6 HB3 MET 1 3HB MET 1 30.204 -11.233 12.959 7 HG2 MET 1 2HG MET 1 32.590 -10.697 12.964 8 HG3 MET 1 3HG MET 1 31.827 -10.075 11.497 9 HE1 MET 1 3HE MET 1 34.071 -8.580 11.164 10 HE2 MET 1 1HE MET 1 34.743 -9.121 12.704 11 HE3 MET 1 2HE MET 1 34.623 -7.398 12.351 12 H GLY 2 H GLY 2 29.402 -7.422 10.920 13 HA2 GLY 2 2HA GLY 2 29.617 -7.457 8.594 14 HA3 GLY 2 3HA GLY 2 29.378 -9.194 8.589 15 H HIS 3 H HIS 3 28.058 -6.462 7.477 16 HA HIS 3 HA HIS 3 25.258 -6.760 8.004 17 HB2 HIS 3 2HB HIS 3 26.766 -5.271 5.807 18 HB3 HIS 3 3HB HIS 3 25.015 -5.218 5.983 19 HD1 HIS 3 HD1 HIS 3 24.075 -3.598 7.660 20 HD2 HIS 3 HD2 HIS 3 28.194 -3.953 7.986 21 HE1 HIS 3 HE1 HIS 3 24.776 -1.809 9.259 22 HE2 HIS 3 HE2 HIS 3 27.276 -1.947 9.319 23 H HIS 4 H HIS 4 24.642 -8.912 7.581 24 HA HIS 4 HA HIS 4 24.926 -10.052 4.901 25 HB2 HIS 4 2HB HIS 4 23.386 -11.066 7.331 26 HB3 HIS 4 3HB HIS 4 23.636 -11.965 5.834 27 HD1 HIS 4 HD1 HIS 4 25.148 -11.371 9.103 28 HD2 HIS 4 HD2 HIS 4 26.506 -12.563 5.364 29 HE1 HIS 4 HE1 HIS 4 27.405 -12.375 9.495 30 HE2 HIS 4 HE2 HIS 4 28.127 -13.245 7.252 31 H HIS 5 H HIS 5 23.583 -9.505 3.297 32 HA HIS 5 HA HIS 5 21.270 -7.817 3.822 33 HB2 HIS 5 2HB HIS 5 22.708 -8.548 1.249 34 HB3 HIS 5 3HB HIS 5 21.326 -7.460 1.322 35 HD1 HIS 5 HD1 HIS 5 24.859 -7.702 2.731 36 HD2 HIS 5 HD2 HIS 5 22.011 -4.845 1.751 37 HE1 HIS 5 HE1 HIS 5 25.991 -5.493 3.027 38 HE2 HIS 5 HE2 HIS 5 24.328 -3.808 2.213 39 H HIS 6 H HIS 6 19.385 -8.048 2.250 40 HA HIS 6 HA HIS 6 18.464 -10.809 1.807 41 HB2 HIS 6 2HB HIS 6 17.687 -10.350 4.069 42 HB3 HIS 6 3HB HIS 6 17.113 -8.754 3.623 43 HD1 HIS 6 HD1 HIS 6 16.130 -12.370 3.547 44 HD2 HIS 6 HD2 HIS 6 14.561 -8.701 2.396 45 HE1 HIS 6 HE1 HIS 6 13.702 -12.782 3.109 46 HE2 HIS 6 HE2 HIS 6 12.810 -10.581 2.297 47 H HIS 7 H HIS 7 18.166 -10.640 -0.394 48 HA HIS 7 HA HIS 7 17.693 -8.258 -1.781 49 HB2 HIS 7 2HB HIS 7 17.253 -9.661 -3.781 50 HB3 HIS 7 3HB HIS 7 18.706 -10.139 -2.923 51 HD1 HIS 7 HD1 HIS 7 15.272 -11.334 -3.814 52 HD2 HIS 7 HD2 HIS 7 18.645 -12.733 -1.831 53 HE1 HIS 7 HE1 HIS 7 14.900 -13.791 -3.507 54 HE2 HIS 7 HE2 HIS 7 17.015 -14.633 -2.442 55 H HIS 8 H HIS 8 15.974 -7.051 -2.056 56 HA HIS 8 HA HIS 8 13.219 -8.058 -1.972 57 HB2 HIS 8 2HB HIS 8 13.844 -7.561 0.405 58 HB3 HIS 8 3HB HIS 8 14.265 -5.917 -0.048 59 HD1 HIS 8 HD1 HIS 8 11.408 -8.072 0.879 60 HD2 HIS 8 HD2 HIS 8 11.985 -4.255 -0.636 61 HE1 HIS 8 HE1 HIS 8 9.229 -6.888 1.192 62 HE2 HIS 8 HE2 HIS 8 9.579 -4.611 0.202 63 H SER 9 H SER 9 12.579 -7.301 -3.954 64 HA SER 9 HA SER 9 13.711 -4.979 -5.198 65 HB2 SER 9 2HB SER 9 12.187 -5.450 -7.071 66 HB3 SER 9 3HB SER 9 12.945 -6.944 -6.522 67 HG SER 9 HG SER 9 10.310 -6.247 -6.572 68 H HIS 10 H HIS 10 13.090 -2.911 -5.021 69 HA HIS 10 HA HIS 10 10.786 -2.113 -3.468 70 HB2 HIS 10 2HB HIS 10 11.565 0.186 -3.811 71 HB3 HIS 10 3HB HIS 10 12.916 -0.836 -3.351 72 HD1 HIS 10 HD1 HIS 10 11.465 0.866 -6.409 73 HD2 HIS 10 HD2 HIS 10 15.051 -0.763 -5.115 74 HE1 HIS 10 HE1 HIS 10 13.135 1.461 -8.165 75 HE2 HIS 10 HE2 HIS 10 15.246 0.314 -7.446 76 H MET 11 H MET 11 8.953 -0.971 -4.200 77 HA MET 11 HA MET 11 7.866 -1.620 -6.713 78 HB2 MET 11 2HB MET 11 7.028 0.580 -4.786 79 HB3 MET 11 3HB MET 11 6.072 0.032 -6.158 80 HG2 MET 11 2HG MET 11 5.173 -0.994 -4.213 81 HG3 MET 11 3HG MET 11 6.022 -2.252 -5.112 82 HE1 MET 11 3HE MET 11 5.090 -2.357 -1.959 83 HE2 MET 11 1HE MET 11 6.482 -3.202 -1.287 84 HE3 MET 11 2HE MET 11 5.798 -3.719 -2.830 85 H SER 12 H SER 12 7.040 -0.013 -8.315 86 HA SER 12 HA SER 12 9.224 1.405 -9.540 87 HB2 SER 12 2HB SER 12 6.305 1.278 -10.418 88 HB3 SER 12 3HB SER 12 7.676 1.771 -11.411 89 HG SER 12 HG SER 12 6.777 -0.740 -10.756 90 H HIS 13 H HIS 13 8.789 3.733 -10.432 91 HA HIS 13 HA HIS 13 8.741 5.476 -8.251 92 HB2 HIS 13 2HB HIS 13 9.942 5.931 -10.377 93 HB3 HIS 13 3HB HIS 13 8.408 6.185 -11.194 94 HD1 HIS 13 HD1 HIS 13 10.808 7.822 -8.845 95 HD2 HIS 13 HD2 HIS 13 7.170 8.698 -10.651 96 HE1 HIS 13 HE1 HIS 13 10.426 10.266 -8.453 97 HE2 HIS 13 HE2 HIS 13 8.190 10.746 -9.476 98 H THR 14 H THR 14 6.287 5.439 -10.917 99 HA THR 14 HA THR 14 4.381 7.064 -9.571 100 HB THR 14 HB THR 14 3.985 5.159 -11.923 101 HG1 THR 14 HG1 THR 14 3.919 7.623 -12.747 102 HG21 THR 14 3HG2 THR 14 1.980 6.536 -12.471 103 HG22 THR 14 1HG2 THR 14 2.174 7.413 -10.958 104 HG23 THR 14 2HG2 THR 14 1.784 5.690 -10.934 105 H GLN 15 H GLN 15 4.904 3.591 -9.608 106 HA GLN 15 HA GLN 15 2.481 2.688 -8.482 107 HB2 GLN 15 2HB GLN 15 4.209 1.243 -9.559 108 HB3 GLN 15 3HB GLN 15 5.277 1.511 -8.187 109 HG2 GLN 15 2HG GLN 15 3.726 0.323 -6.711 110 HG3 GLN 15 3HG GLN 15 2.578 0.136 -8.040 111 HE21 GLN 15 1HE2 GLN 15 2.629 -2.103 -7.982 112 HE22 GLN 15 2HE2 GLN 15 4.000 -3.028 -8.452 113 H VAL 16 H VAL 16 5.537 3.668 -6.896 114 HA VAL 16 HA VAL 16 4.701 3.435 -4.207 115 HB VAL 16 HB VAL 16 6.872 5.205 -5.437 116 HG11 VAL 16 1HG1 VAL 16 6.207 6.222 -3.297 117 HG12 VAL 16 2HG1 VAL 16 7.800 5.488 -3.142 118 HG13 VAL 16 3HG1 VAL 16 6.383 4.673 -2.470 119 HG21 VAL 16 3HG2 VAL 16 7.267 2.781 -5.654 120 HG22 VAL 16 1HG2 VAL 16 7.067 2.571 -3.912 121 HG23 VAL 16 2HG2 VAL 16 8.430 3.502 -4.544 122 H ILE 17 H ILE 17 4.476 6.165 -6.523 123 HA ILE 17 HA ILE 17 3.498 8.168 -4.823 124 HB ILE 17 HB ILE 17 2.790 7.675 -7.756 125 HG12 ILE 17 2HG1 ILE 17 4.857 9.569 -6.522 126 HG13 ILE 17 3HG1 ILE 17 5.221 8.049 -7.331 127 HG21 ILE 17 1HG2 ILE 17 2.077 10.045 -7.874 128 HG22 ILE 17 2HG2 ILE 17 2.333 10.214 -6.136 129 HG23 ILE 17 3HG2 ILE 17 1.081 9.129 -6.741 130 HD11 ILE 17 3HD1 ILE 17 4.348 8.967 -9.436 131 HD12 ILE 17 1HD1 ILE 17 5.675 9.925 -8.781 132 HD13 ILE 17 2HD1 ILE 17 4.015 10.499 -8.622 133 H GLU 18 H GLU 18 1.690 5.650 -6.605 134 HA GLU 18 HA GLU 18 -0.924 6.282 -5.751 135 HB2 GLU 18 2HB GLU 18 0.265 3.593 -6.553 136 HB3 GLU 18 3HB GLU 18 -1.459 3.925 -6.421 137 HG2 GLU 18 2HG GLU 18 0.416 5.344 -8.341 138 HG3 GLU 18 3HG GLU 18 -0.556 3.937 -8.763 139 H LEU 19 H LEU 19 1.464 3.994 -4.394 140 HA LEU 19 HA LEU 19 0.018 2.998 -2.204 141 HB2 LEU 19 2HB LEU 19 2.983 3.457 -2.645 142 HB3 LEU 19 3HB LEU 19 2.377 2.678 -1.196 143 HG LEU 19 HG LEU 19 1.809 1.573 -3.963 144 HD11 LEU 19 1HD1 LEU 19 3.662 0.014 -3.665 145 HD12 LEU 19 2HD1 LEU 19 4.126 0.821 -2.166 146 HD13 LEU 19 3HD1 LEU 19 4.235 1.681 -3.703 147 HD21 LEU 19 3HD2 LEU 19 1.376 -0.521 -2.769 148 HD22 LEU 19 1HD2 LEU 19 0.337 0.767 -2.164 149 HD23 LEU 19 2HD2 LEU 19 1.742 0.255 -1.225 150 H GLU 20 H GLU 20 1.989 5.971 -2.486 151 HA GLU 20 HA GLU 20 1.848 6.811 0.227 152 HB2 GLU 20 2HB GLU 20 2.444 8.365 -2.321 153 HB3 GLU 20 3HB GLU 20 2.574 9.063 -0.707 154 HG2 GLU 20 2HG GLU 20 4.329 7.423 -0.139 155 HG3 GLU 20 3HG GLU 20 4.200 6.714 -1.747 156 H ARG 21 H ARG 21 -0.146 7.451 -2.627 157 HA ARG 21 HA ARG 21 -1.851 9.427 -1.546 158 HB2 ARG 21 2HB ARG 21 -2.363 7.381 -3.739 159 HB3 ARG 21 3HB ARG 21 -3.461 8.709 -3.362 160 HG2 ARG 21 2HG ARG 21 -1.755 10.351 -3.980 161 HG3 ARG 21 3HG ARG 21 -0.577 9.067 -4.254 162 HD2 ARG 21 2HD ARG 21 -1.485 9.861 -6.381 163 HD3 ARG 21 3HD ARG 21 -1.953 8.181 -6.100 164 HE ARG 21 HE ARG 21 -3.794 10.408 -5.490 165 HH11 ARG 21 1HH1 ARG 21 -3.199 7.451 -7.217 166 HH12 ARG 21 2HH1 ARG 21 -4.837 7.336 -7.759 167 HH21 ARG 21 1HH2 ARG 21 -5.856 10.216 -6.193 168 HH22 ARG 21 2HH2 ARG 21 -6.322 8.884 -7.194 169 H LYS 22 H LYS 22 -1.920 5.908 -1.340 170 HA LYS 22 HA LYS 22 -4.507 5.794 -0.038 171 HB2 LYS 22 2HB LYS 22 -3.520 3.981 -1.542 172 HB3 LYS 22 3HB LYS 22 -2.406 3.594 -0.239 173 HG2 LYS 22 2HG LYS 22 -4.248 2.023 -0.205 174 HG3 LYS 22 3HG LYS 22 -4.345 3.048 1.228 175 HD2 LYS 22 2HD LYS 22 -6.125 4.388 0.191 176 HD3 LYS 22 3HD LYS 22 -5.972 3.476 -1.313 177 HE2 LYS 22 2HE LYS 22 -6.777 1.452 -0.207 178 HE3 LYS 22 3HE LYS 22 -6.820 2.285 1.349 179 HZ1 LYS 22 3HZ LYS 22 -8.452 3.006 -1.021 180 HZ2 LYS 22 1HZ LYS 22 -8.510 3.759 0.488 181 HZ3 LYS 22 2HZ LYS 22 -9.010 2.153 0.328 182 H PHE 23 H PHE 23 -1.101 5.532 0.951 183 HA PHE 23 HA PHE 23 -1.455 4.902 3.673 184 HB2 PHE 23 2HB PHE 23 0.689 4.572 2.472 185 HB3 PHE 23 3HB PHE 23 0.894 6.314 2.340 186 HD1 PHE 23 HD2 PHE 23 0.606 3.552 4.861 187 HD2 PHE 23 HD1 PHE 23 2.033 7.507 4.085 188 HE1 PHE 23 HE2 PHE 23 1.769 3.554 7.021 189 HE2 PHE 23 HE1 PHE 23 3.191 7.504 6.249 190 HZ PHE 23 HZ PHE 23 3.067 5.532 7.721 191 H SER 24 H SER 24 -1.125 8.039 2.051 192 HA SER 24 HA SER 24 -1.008 9.706 4.317 193 HB2 SER 24 2HB SER 24 -1.614 11.534 2.751 194 HB3 SER 24 3HB SER 24 -0.378 10.475 2.070 195 HG SER 24 HG SER 24 -1.680 10.119 0.481 196 H HIS 25 H HIS 25 -3.799 8.300 2.616 197 HA HIS 25 HA HIS 25 -5.733 9.821 4.147 198 HB2 HIS 25 2HB HIS 25 -5.986 7.558 2.126 199 HB3 HIS 25 3HB HIS 25 -7.379 8.246 2.960 200 HD1 HIS 25 HD1 HIS 25 -8.540 9.565 1.158 201 HD2 HIS 25 HD2 HIS 25 -4.452 10.262 1.174 202 HE1 HIS 25 HE1 HIS 25 -8.160 11.383 -0.514 203 HE2 HIS 25 HE2 HIS 25 -5.715 11.905 -0.348 204 H GLN 26 H GLN 26 -4.340 6.551 4.225 205 HA GLN 26 HA GLN 26 -5.239 6.173 6.976 206 HB2 GLN 26 2HB GLN 26 -6.354 4.029 6.579 207 HB3 GLN 26 3HB GLN 26 -7.134 5.296 5.636 208 HG2 GLN 26 2HG GLN 26 -5.826 4.506 3.631 209 HG3 GLN 26 3HG GLN 26 -5.238 3.163 4.616 210 HE21 GLN 26 1HE2 GLN 26 -6.746 1.554 5.264 211 HE22 GLN 26 2HE2 GLN 26 -8.242 1.333 4.432 212 H LYS 27 H LYS 27 -3.758 5.091 8.163 213 HA LYS 27 HA LYS 27 -1.230 4.293 6.946 214 HB2 LYS 27 2HB LYS 27 -2.027 4.176 9.885 215 HB3 LYS 27 3HB LYS 27 -0.388 4.180 9.234 216 HG2 LYS 27 2HG LYS 27 -2.373 6.480 9.253 217 HG3 LYS 27 3HG LYS 27 -0.864 6.365 10.164 218 HD2 LYS 27 2HD LYS 27 0.450 6.557 8.126 219 HD3 LYS 27 3HD LYS 27 -0.992 6.417 7.122 220 HE2 LYS 27 2HE LYS 27 -1.807 8.578 8.153 221 HE3 LYS 27 3HE LYS 27 -0.210 8.740 8.897 222 HZ1 LYS 27 3HZ LYS 27 0.785 8.734 6.717 223 HZ2 LYS 27 1HZ LYS 27 -0.393 9.946 6.795 224 HZ3 LYS 27 2HZ LYS 27 -0.718 8.501 5.980 225 H TYR 28 H TYR 28 -4.059 2.779 8.165 226 HA TYR 28 HA TYR 28 -2.854 0.067 8.160 227 HB2 TYR 28 2HB TYR 28 -5.225 1.074 9.812 228 HB3 TYR 28 3HB TYR 28 -4.537 -0.548 9.868 229 HD1 TYR 28 HD2 TYR 28 -2.305 -0.922 10.937 230 HD2 TYR 28 HD1 TYR 28 -4.133 2.942 10.989 231 HE1 TYR 28 HE2 TYR 28 -0.748 -0.202 12.685 232 HE2 TYR 28 HE1 TYR 28 -2.568 3.661 12.739 233 HH TYR 28 HH TYR 28 -1.159 2.570 14.526 234 H LEU 29 H LEU 29 -3.568 -1.131 6.488 235 HA LEU 29 HA LEU 29 -6.171 -0.600 5.204 236 HB2 LEU 29 2HB LEU 29 -3.905 -2.468 4.406 237 HB3 LEU 29 3HB LEU 29 -5.379 -2.227 3.479 238 HG LEU 29 HG LEU 29 -3.257 -0.111 4.011 239 HD11 LEU 29 1HD1 LEU 29 -2.499 -1.834 2.453 240 HD12 LEU 29 2HD1 LEU 29 -2.737 -0.289 1.642 241 HD13 LEU 29 3HD1 LEU 29 -3.931 -1.576 1.452 242 HD21 LEU 29 3HD2 LEU 29 -5.781 0.069 2.332 243 HD22 LEU 29 1HD2 LEU 29 -4.505 1.287 2.415 244 HD23 LEU 29 2HD2 LEU 29 -5.463 0.923 3.844 245 H SER 30 H SER 30 -7.874 -1.990 5.301 246 HA SER 30 HA SER 30 -7.759 -4.459 6.877 247 HB2 SER 30 2HB SER 30 -10.050 -3.105 5.382 248 HB3 SER 30 3HB SER 30 -10.219 -4.572 6.350 249 HG SER 30 HG SER 30 -9.918 -1.937 7.154 250 H ALA 31 H ALA 31 -9.021 -6.389 5.765 251 HA ALA 31 HA ALA 31 -7.430 -7.464 3.772 252 HB1 ALA 31 3HB ALA 31 -10.261 -8.309 4.456 253 HB2 ALA 31 1HB ALA 31 -8.797 -8.808 5.305 254 HB3 ALA 31 2HB ALA 31 -9.050 -9.290 3.627 255 HA PRO 32 HA PRO 32 -10.790 -6.331 0.304 256 HB2 PRO 32 2HB PRO 32 -12.226 -3.989 0.820 257 HB3 PRO 32 3HB PRO 32 -12.855 -5.629 1.087 258 HG2 PRO 32 2HG PRO 32 -11.604 -3.744 3.068 259 HG3 PRO 32 3HG PRO 32 -13.070 -4.740 3.239 260 HD2 PRO 32 2HD PRO 32 -10.758 -5.524 4.334 261 HD3 PRO 32 3HD PRO 32 -11.835 -6.719 3.574 262 H GLU 33 H GLU 33 -9.516 -3.552 2.226 263 HA GLU 33 HA GLU 33 -9.014 -1.824 0.023 264 HB2 GLU 33 2HB GLU 33 -7.807 -1.777 2.825 265 HB3 GLU 33 3HB GLU 33 -7.808 -0.425 1.693 266 HG2 GLU 33 2HG GLU 33 -10.276 -1.702 2.923 267 HG3 GLU 33 3HG GLU 33 -9.522 -0.205 3.473 268 H ARG 34 H ARG 34 -6.947 -4.040 1.840 269 HA ARG 34 HA ARG 34 -4.441 -3.262 0.743 270 HB2 ARG 34 2HB ARG 34 -4.821 -4.446 2.948 271 HB3 ARG 34 3HB ARG 34 -5.170 -5.920 2.046 272 HG2 ARG 34 2HG ARG 34 -2.874 -5.867 1.108 273 HG3 ARG 34 3HG ARG 34 -2.535 -4.405 2.040 274 HD2 ARG 34 2HD ARG 34 -1.626 -6.398 3.151 275 HD3 ARG 34 3HD ARG 34 -2.891 -5.649 4.135 276 HE ARG 34 HE ARG 34 -4.132 -7.596 2.581 277 HH11 ARG 34 1HH1 ARG 34 -1.769 -7.569 5.114 278 HH12 ARG 34 2HH1 ARG 34 -2.167 -9.165 5.637 279 HH21 ARG 34 1HH2 ARG 34 -4.611 -9.622 3.257 280 HH22 ARG 34 2HH2 ARG 34 -3.758 -10.316 4.596 281 H ALA 35 H ALA 35 -6.711 -5.904 -0.013 282 HA ALA 35 HA ALA 35 -5.217 -7.063 -2.153 283 HB1 ALA 35 3HB ALA 35 -8.192 -7.239 -1.571 284 HB2 ALA 35 1HB ALA 35 -6.945 -8.307 -0.923 285 HB3 ALA 35 2HB ALA 35 -7.281 -8.296 -2.656 286 H HIS 36 H HIS 36 -7.753 -4.587 -2.013 287 HA HIS 36 HA HIS 36 -8.243 -4.204 -4.752 288 HB2 HIS 36 2HB HIS 36 -9.564 -3.249 -2.767 289 HB3 HIS 36 3HB HIS 36 -8.320 -2.017 -2.625 290 HD1 HIS 36 HD1 HIS 36 -7.976 -0.755 -5.220 291 HD2 HIS 36 HD2 HIS 36 -11.685 -2.286 -4.136 292 HE1 HIS 36 HE1 HIS 36 -9.642 0.410 -6.681 293 HE2 HIS 36 HE2 HIS 36 -11.864 -0.566 -6.051 294 H LEU 37 H LEU 37 -5.885 -2.670 -2.563 295 HA LEU 37 HA LEU 37 -4.695 -0.963 -4.528 296 HB2 LEU 37 2HB LEU 37 -4.689 -0.549 -2.060 297 HB3 LEU 37 3HB LEU 37 -3.577 -1.893 -1.859 298 HG LEU 37 HG LEU 37 -1.838 -0.678 -3.139 299 HD11 LEU 37 1HD1 LEU 37 -3.831 1.603 -3.336 300 HD12 LEU 37 2HD1 LEU 37 -3.260 0.597 -4.670 301 HD13 LEU 37 3HD1 LEU 37 -2.134 1.657 -3.828 302 HD21 LEU 37 3HD2 LEU 37 -3.012 1.005 -0.909 303 HD22 LEU 37 1HD2 LEU 37 -1.358 1.095 -1.515 304 HD23 LEU 37 2HD2 LEU 37 -1.926 -0.364 -0.714 305 H ALA 38 H ALA 38 -3.937 -4.196 -3.284 306 HA ALA 38 HA ALA 38 -1.465 -4.665 -4.509 307 HB1 ALA 38 3HB ALA 38 -1.938 -7.055 -4.202 308 HB2 ALA 38 1HB ALA 38 -3.648 -6.694 -3.923 309 HB3 ALA 38 2HB ALA 38 -2.428 -6.132 -2.781 310 H LYS 39 H LYS 39 -4.745 -5.449 -5.780 311 HA LYS 39 HA LYS 39 -3.818 -6.494 -8.263 312 HB2 LYS 39 2HB LYS 39 -6.172 -6.558 -8.934 313 HB3 LYS 39 3HB LYS 39 -5.979 -7.152 -7.288 314 HG2 LYS 39 2HG LYS 39 -6.781 -4.978 -6.411 315 HG3 LYS 39 3HG LYS 39 -6.990 -4.391 -8.060 316 HD2 LYS 39 2HD LYS 39 -9.141 -5.083 -7.142 317 HD3 LYS 39 3HD LYS 39 -8.688 -6.156 -8.463 318 HE2 LYS 39 2HE LYS 39 -8.001 -7.880 -6.873 319 HE3 LYS 39 3HE LYS 39 -8.317 -6.786 -5.521 320 HZ1 LYS 39 3HZ LYS 39 -10.143 -8.314 -5.811 321 HZ2 LYS 39 1HZ LYS 39 -10.339 -7.842 -7.426 322 HZ3 LYS 39 2HZ LYS 39 -10.658 -6.748 -6.180 323 H ASN 40 H ASN 40 -4.915 -3.251 -7.294 324 HA ASN 40 HA ASN 40 -5.022 -2.037 -9.842 325 HB2 ASN 40 2HB ASN 40 -4.602 -0.916 -7.053 326 HB3 ASN 40 3HB ASN 40 -4.571 0.136 -8.465 327 HD21 ASN 40 1HD2 ASN 40 -6.398 1.235 -7.639 328 HD22 ASN 40 2HD2 ASN 40 -7.981 0.568 -7.772 329 H LEU 41 H LEU 41 -2.326 -2.558 -7.629 330 HA LEU 41 HA LEU 41 -0.419 -1.267 -9.495 331 HB2 LEU 41 2HB LEU 41 -0.204 -2.027 -6.562 332 HB3 LEU 41 3HB LEU 41 1.123 -1.350 -7.496 333 HG LEU 41 HG LEU 41 -1.525 0.056 -6.949 334 HD11 LEU 41 1HD1 LEU 41 -0.179 -0.109 -4.925 335 HD12 LEU 41 2HD1 LEU 41 -0.239 1.553 -5.505 336 HD13 LEU 41 3HD1 LEU 41 1.212 0.581 -5.766 337 HD21 LEU 41 3HD2 LEU 41 -0.576 0.703 -9.114 338 HD22 LEU 41 1HD2 LEU 41 0.967 1.086 -8.344 339 HD23 LEU 41 2HD2 LEU 41 -0.477 2.025 -7.960 340 H LYS 42 H LYS 42 -1.576 -4.306 -9.154 341 HA LYS 42 HA LYS 42 -0.921 -6.401 -9.620 342 HB2 LYS 42 2HB LYS 42 1.167 -4.826 -11.151 343 HB3 LYS 42 3HB LYS 42 1.191 -6.582 -11.177 344 HG2 LYS 42 2HG LYS 42 0.048 -5.634 -13.144 345 HG3 LYS 42 3HG LYS 42 -1.010 -6.663 -12.190 346 HD2 LYS 42 2HD LYS 42 -1.989 -4.587 -11.156 347 HD3 LYS 42 3HD LYS 42 -1.001 -3.620 -12.252 348 HE2 LYS 42 2HE LYS 42 -2.191 -4.487 -14.169 349 HE3 LYS 42 3HE LYS 42 -3.053 -5.658 -13.168 350 HZ1 LYS 42 3HZ LYS 42 -3.302 -2.712 -12.927 351 HZ2 LYS 42 1HZ LYS 42 -4.166 -3.865 -12.042 352 HZ3 LYS 42 2HZ LYS 42 -4.404 -3.723 -13.709 353 H LEU 43 H LEU 43 0.281 -4.962 -7.212 354 HA LEU 43 HA LEU 43 2.594 -6.575 -6.463 355 HB2 LEU 43 2HB LEU 43 0.821 -4.676 -4.863 356 HB3 LEU 43 3HB LEU 43 2.241 -5.476 -4.202 357 HG LEU 43 HG LEU 43 2.308 -3.495 -6.508 358 HD11 LEU 43 1HD1 LEU 43 3.003 -3.027 -3.595 359 HD12 LEU 43 2HD1 LEU 43 1.606 -2.373 -4.453 360 HD13 LEU 43 3HD1 LEU 43 3.231 -1.879 -4.919 361 HD21 LEU 43 3HD2 LEU 43 4.163 -5.090 -6.583 362 HD22 LEU 43 1HD2 LEU 43 4.572 -4.731 -4.901 363 HD23 LEU 43 2HD2 LEU 43 4.741 -3.487 -6.143 364 H THR 44 H THR 44 2.355 -7.649 -4.163 365 HA THR 44 HA THR 44 -0.153 -9.219 -3.964 366 HB THR 44 HB THR 44 1.050 -10.768 -2.510 367 HG1 THR 44 HG1 THR 44 3.508 -10.202 -2.409 368 HG21 THR 44 3HG2 THR 44 2.797 -11.618 -4.026 369 HG22 THR 44 1HG2 THR 44 2.800 -10.085 -4.899 370 HG23 THR 44 2HG2 THR 44 1.371 -11.120 -4.939 371 H GLU 45 H GLU 45 -1.178 -9.372 -1.867 372 HA GLU 45 HA GLU 45 -1.480 -7.077 -0.321 373 HB2 GLU 45 2HB GLU 45 -1.969 -9.983 0.439 374 HB3 GLU 45 3HB GLU 45 -2.441 -8.628 1.463 375 HG2 GLU 45 2HG GLU 45 -3.820 -7.770 -0.491 376 HG3 GLU 45 3HG GLU 45 -3.496 -9.308 -1.294 377 H THR 46 H THR 46 0.829 -9.733 0.135 378 HA THR 46 HA THR 46 1.985 -8.998 2.582 379 HB THR 46 HB THR 46 3.307 -10.315 0.158 380 HG1 THR 46 HG1 THR 46 2.060 -11.922 0.728 381 HG21 THR 46 3HG2 THR 46 4.165 -10.337 3.079 382 HG22 THR 46 1HG2 THR 46 5.022 -9.530 1.762 383 HG23 THR 46 2HG2 THR 46 4.900 -11.290 1.791 384 H GLN 47 H GLN 47 2.967 -8.058 -0.757 385 HA GLN 47 HA GLN 47 5.165 -6.432 -0.100 386 HB2 GLN 47 2HB GLN 47 3.327 -6.347 -2.527 387 HB3 GLN 47 3HB GLN 47 4.804 -5.397 -2.400 388 HG2 GLN 47 2HG GLN 47 6.129 -7.474 -2.231 389 HG3 GLN 47 3HG GLN 47 4.654 -8.428 -2.369 390 HE21 GLN 47 1HE2 GLN 47 6.916 -6.386 -4.074 391 HE22 GLN 47 2HE2 GLN 47 6.376 -6.783 -5.665 392 H VAL 48 H VAL 48 1.801 -5.511 -0.762 393 HA VAL 48 HA VAL 48 1.987 -2.742 -0.360 394 HB VAL 48 HB VAL 48 -0.386 -4.629 0.026 395 HG11 VAL 48 1HG1 VAL 48 -0.402 -1.604 -0.245 396 HG12 VAL 48 2HG1 VAL 48 -0.847 -2.532 1.188 397 HG13 VAL 48 3HG1 VAL 48 -1.833 -2.640 -0.270 398 HG21 VAL 48 3HG2 VAL 48 0.408 -2.927 -2.378 399 HG22 VAL 48 1HG2 VAL 48 -1.048 -3.922 -2.256 400 HG23 VAL 48 2HG2 VAL 48 0.544 -4.682 -2.260 401 H LYS 49 H LYS 49 1.126 -5.330 1.955 402 HA LYS 49 HA LYS 49 0.564 -3.810 4.237 403 HB2 LYS 49 2HB LYS 49 -0.018 -6.160 4.119 404 HB3 LYS 49 3HB LYS 49 1.668 -6.629 3.930 405 HG2 LYS 49 2HG LYS 49 2.141 -5.894 6.234 406 HG3 LYS 49 3HG LYS 49 0.456 -5.397 6.425 407 HD2 LYS 49 2HD LYS 49 -0.293 -7.719 6.174 408 HD3 LYS 49 3HD LYS 49 1.361 -8.248 5.847 409 HE2 LYS 49 2HE LYS 49 2.034 -7.612 8.111 410 HE3 LYS 49 3HE LYS 49 0.411 -7.003 8.445 411 HZ1 LYS 49 3HZ LYS 49 0.664 -9.179 9.371 412 HZ2 LYS 49 1HZ LYS 49 1.164 -9.818 7.887 413 HZ3 LYS 49 2HZ LYS 49 -0.422 -9.269 8.079 414 H ILE 50 H ILE 50 3.628 -5.336 3.282 415 HA ILE 50 HA ILE 50 5.188 -4.478 5.483 416 HB ILE 50 HB ILE 50 5.920 -5.550 2.727 417 HG12 ILE 50 2HG1 ILE 50 6.020 -6.837 5.505 418 HG13 ILE 50 3HG1 ILE 50 4.750 -7.094 4.312 419 HG21 ILE 50 1HG2 ILE 50 7.859 -5.022 5.014 420 HG22 ILE 50 2HG2 ILE 50 7.829 -4.191 3.458 421 HG23 ILE 50 3HG2 ILE 50 8.241 -5.903 3.531 422 HD11 ILE 50 3HD1 ILE 50 6.282 -8.950 4.366 423 HD12 ILE 50 1HD1 ILE 50 7.643 -7.882 4.016 424 HD13 ILE 50 2HD1 ILE 50 6.375 -8.125 2.811 425 H TRP 51 H TRP 51 4.612 -3.044 2.261 426 HA TRP 51 HA TRP 51 6.465 -0.930 2.387 427 HB2 TRP 51 2HB TRP 51 5.125 -1.601 0.343 428 HB3 TRP 51 3HB TRP 51 3.721 -0.821 1.056 429 HD1 TRP 51 HD1 TRP 51 6.984 -0.013 -0.757 430 HE1 TRP 51 HE1 TRP 51 7.030 2.472 -1.383 431 HE3 TRP 51 HE3 TRP 51 2.902 1.553 1.868 432 HZ2 TRP 51 HZ2 TRP 51 5.540 4.799 -0.829 433 HZ3 TRP 51 HZ3 TRP 51 2.281 3.924 1.784 434 HH2 TRP 51 HH2 TRP 51 3.576 5.519 0.464 435 H PHE 52 H PHE 52 2.983 -0.888 3.259 436 HA PHE 52 HA PHE 52 2.833 1.617 4.472 437 HB2 PHE 52 2HB PHE 52 1.222 -0.922 4.795 438 HB3 PHE 52 3HB PHE 52 0.895 0.434 5.871 439 HD1 PHE 52 HD1 PHE 52 1.522 0.014 2.168 440 HD2 PHE 52 HD2 PHE 52 -0.960 1.709 5.215 441 HE1 PHE 52 HE1 PHE 52 0.117 1.052 0.450 442 HE2 PHE 52 HE2 PHE 52 -2.360 2.742 3.484 443 HZ PHE 52 HZ PHE 52 -1.821 2.419 1.103 444 H GLN 53 H GLN 53 3.774 -1.472 5.945 445 HA GLN 53 HA GLN 53 3.852 -0.659 8.652 446 HB2 GLN 53 2HB GLN 53 3.784 -3.033 7.841 447 HB3 GLN 53 3HB GLN 53 5.454 -2.878 7.303 448 HG2 GLN 53 2HG GLN 53 6.122 -2.432 9.680 449 HG3 GLN 53 3HG GLN 53 4.452 -2.722 10.166 450 HE21 GLN 53 1HE2 GLN 53 4.086 -4.972 8.269 451 HE22 GLN 53 2HE2 GLN 53 4.982 -6.283 8.935 452 H ASN 54 H ASN 54 6.412 -0.836 6.183 453 HA ASN 54 HA ASN 54 8.539 0.117 7.847 454 HB2 ASN 54 2HB ASN 54 8.308 -0.089 4.823 455 HB3 ASN 54 3HB ASN 54 9.794 0.333 5.672 456 HD21 ASN 54 1HD2 ASN 54 9.160 -1.946 3.937 457 HD22 ASN 54 2HD2 ASN 54 9.512 -3.358 4.864 458 H ARG 55 H ARG 55 6.294 1.711 5.586 459 HA ARG 55 HA ARG 55 7.384 4.303 5.748 460 HB2 ARG 55 2HB ARG 55 4.845 3.127 4.785 461 HB3 ARG 55 3HB ARG 55 4.635 4.747 5.415 462 HG2 ARG 55 2HG ARG 55 4.980 4.942 3.074 463 HG3 ARG 55 3HG ARG 55 6.430 5.545 3.871 464 HD2 ARG 55 2HD ARG 55 6.181 2.757 2.692 465 HD3 ARG 55 3HD ARG 55 6.831 4.138 1.819 466 HE ARG 55 HE ARG 55 8.458 4.145 3.882 467 HH11 ARG 55 1HH1 ARG 55 7.282 1.369 2.178 468 HH12 ARG 55 2HH1 ARG 55 8.764 0.503 2.369 469 HH21 ARG 55 1HH2 ARG 55 10.340 3.007 4.105 470 HH22 ARG 55 2HH2 ARG 55 10.466 1.412 3.447 471 H ARG 56 H ARG 56 5.057 2.626 7.876 472 HA ARG 56 HA ARG 56 4.544 4.733 9.695 473 HB2 ARG 56 2HB ARG 56 4.570 1.712 10.044 474 HB3 ARG 56 3HB ARG 56 4.054 2.810 11.321 475 HG2 ARG 56 2HG ARG 56 2.162 3.560 10.031 476 HG3 ARG 56 3HG ARG 56 2.738 2.728 8.583 477 HD2 ARG 56 2HD ARG 56 0.867 1.536 9.744 478 HD3 ARG 56 3HD ARG 56 2.330 0.561 9.577 479 HE ARG 56 HE ARG 56 1.936 1.997 12.104 480 HH11 ARG 56 1HH1 ARG 56 1.776 -1.060 10.456 481 HH12 ARG 56 2HH1 ARG 56 1.741 -1.960 11.929 482 HH21 ARG 56 1HH2 ARG 56 1.888 0.817 13.960 483 HH22 ARG 56 2HH2 ARG 56 1.801 -0.910 13.891 484 H TYR 57 H TYR 57 7.126 2.315 9.505 485 HA TYR 57 HA TYR 57 8.593 3.057 11.831 486 HB2 TYR 57 2HB TYR 57 8.885 0.869 10.780 487 HB3 TYR 57 3HB TYR 57 9.417 1.611 9.277 488 HD1 TYR 57 HD1 TYR 57 10.402 0.997 12.828 489 HD2 TYR 57 HD2 TYR 57 11.745 2.199 8.946 490 HE1 TYR 57 HE1 TYR 57 12.735 0.868 13.590 491 HE2 TYR 57 HE2 TYR 57 14.071 2.068 9.708 492 HH TYR 57 HH TYR 57 15.318 2.185 11.827 493 H LYS 58 H LYS 58 8.484 4.378 8.574 494 HA LYS 58 HA LYS 58 10.965 5.911 8.842 495 HB2 LYS 58 2HB LYS 58 8.922 5.695 6.608 496 HB3 LYS 58 3HB LYS 58 10.281 6.810 6.534 497 HG2 LYS 58 2HG LYS 58 10.486 3.782 6.735 498 HG3 LYS 58 3HG LYS 58 10.709 4.736 5.267 499 HD2 LYS 58 2HD LYS 58 12.468 4.819 7.759 500 HD3 LYS 58 3HD LYS 58 12.878 4.081 6.209 501 HE2 LYS 58 2HE LYS 58 12.456 7.047 6.738 502 HE3 LYS 58 3HE LYS 58 13.992 6.244 6.423 503 HZ1 LYS 58 3HZ LYS 58 13.152 7.377 4.469 504 HZ2 LYS 58 1HZ LYS 58 11.737 6.460 4.504 505 HZ3 LYS 58 2HZ LYS 58 13.220 5.711 4.197 506 H THR 59 H THR 59 7.526 6.453 9.276 507 HA THR 59 HA THR 59 7.629 9.339 8.992 508 HB THR 59 HB THR 59 5.260 9.292 9.903 509 HG1 THR 59 HG1 THR 59 5.972 6.795 10.600 510 HG21 THR 59 3HG2 THR 59 4.268 8.217 7.909 511 HG22 THR 59 1HG2 THR 59 5.813 7.466 7.537 512 HG23 THR 59 2HG2 THR 59 5.652 9.225 7.475 513 H LYS 60 H LYS 60 9.033 10.176 10.425 514 HA LYS 60 HA LYS 60 9.083 9.572 13.248 515 HB2 LYS 60 2HB LYS 60 11.082 10.293 11.858 516 HB3 LYS 60 3HB LYS 60 10.372 11.897 11.746 517 HG2 LYS 60 2HG LYS 60 12.097 11.895 13.442 518 HG3 LYS 60 3HG LYS 60 10.530 12.119 14.226 519 HD2 LYS 60 2HD LYS 60 10.506 9.821 14.992 520 HD3 LYS 60 3HD LYS 60 11.922 9.419 14.016 521 HE2 LYS 60 2HE LYS 60 12.493 9.666 16.404 522 HE3 LYS 60 3HE LYS 60 13.326 10.862 15.411 523 HZ1 LYS 60 3HZ LYS 60 11.754 12.524 16.098 524 HZ2 LYS 60 1HZ LYS 60 12.403 11.780 17.470 525 HZ3 LYS 60 2HZ LYS 60 10.848 11.385 16.953 526 H ARG 61 H ARG 61 7.172 10.086 14.245 527 HA ARG 61 HA ARG 61 5.466 12.218 13.458 528 HB2 ARG 61 2HB ARG 61 5.401 10.625 16.039 529 HB3 ARG 61 3HB ARG 61 4.094 11.614 15.396 530 HG2 ARG 61 2HG ARG 61 3.875 10.086 13.474 531 HG3 ARG 61 3HG ARG 61 5.201 9.098 14.108 532 HD2 ARG 61 2HD ARG 61 2.508 9.593 15.429 533 HD3 ARG 61 3HD ARG 61 3.067 8.081 14.711 534 HE ARG 61 HE ARG 61 4.794 8.021 16.485 535 HH11 ARG 61 1HH1 ARG 61 2.027 10.006 17.110 536 HH12 ARG 61 2HH1 ARG 61 2.148 9.808 18.821 537 HH21 ARG 61 1HH2 ARG 61 4.918 7.812 18.682 538 HH22 ARG 61 2HH2 ARG 61 3.750 8.596 19.689 539 H LYS 62 H LYS 62 6.140 14.248 13.698 540 HA LYS 62 HA LYS 62 7.590 15.318 15.925 541 HB2 LYS 62 2HB LYS 62 7.548 16.154 13.500 542 HB3 LYS 62 3HB LYS 62 5.969 16.830 13.843 543 HG2 LYS 62 2HG LYS 62 6.976 18.310 15.554 544 HG3 LYS 62 3HG LYS 62 8.564 17.611 15.208 545 HD2 LYS 62 2HD LYS 62 8.288 18.379 12.804 546 HD3 LYS 62 3HD LYS 62 6.816 19.221 13.300 547 HE2 LYS 62 2HE LYS 62 9.606 19.762 14.367 548 HE3 LYS 62 3HE LYS 62 8.766 20.740 13.166 549 HZ1 LYS 62 3HZ LYS 62 7.050 21.178 14.856 550 HZ2 LYS 62 1HZ LYS 62 8.577 21.753 15.302 551 HZ3 LYS 62 2HZ LYS 62 7.970 20.336 15.996 552 H GLN 63 H GLN 63 6.778 16.411 17.720 553 HA GLN 63 HA GLN 63 4.585 15.265 18.920 554 HB2 GLN 63 2HB GLN 63 4.911 16.996 20.742 555 HB3 GLN 63 3HB GLN 63 6.348 16.094 20.273 556 HG2 GLN 63 2HG GLN 63 7.108 18.016 18.913 557 HG3 GLN 63 3HG GLN 63 5.669 18.919 19.391 558 HE21 GLN 63 1HE2 GLN 63 7.009 20.550 20.302 559 HE22 GLN 63 2HE2 GLN 63 7.816 20.326 21.810 560 H LEU 64 H LEU 64 4.521 18.305 17.120 561 HA LEU 64 HA LEU 64 1.586 18.139 17.099 562 HB2 LEU 64 2HB LEU 64 2.609 19.984 18.768 563 HB3 LEU 64 3HB LEU 64 2.804 20.903 17.291 564 HG LEU 64 HG LEU 64 0.195 19.928 18.524 565 HD11 LEU 64 1HD1 LEU 64 1.116 21.888 19.620 566 HD12 LEU 64 2HD1 LEU 64 -0.354 22.306 18.747 567 HD13 LEU 64 3HD1 LEU 64 1.223 22.743 18.079 568 HD21 LEU 64 3HD2 LEU 64 -0.056 19.728 16.107 569 HD22 LEU 64 1HD2 LEU 64 0.500 21.386 15.878 570 HD23 LEU 64 2HD2 LEU 64 -1.025 21.068 16.711 571 H SER 65 H SER 65 2.247 17.112 15.090 572 HA SER 65 HA SER 65 2.020 18.933 12.851 573 HB2 SER 65 2HB SER 65 4.498 18.907 13.173 574 HB3 SER 65 3HB SER 65 4.496 17.154 13.011 575 HG SER 65 HG SER 65 4.709 18.937 11.095 576 H SER 66 H SER 66 2.068 17.560 10.727 577 HA SER 66 HA SER 66 -0.138 15.848 10.801 578 HB2 SER 66 2HB SER 66 0.553 17.124 8.796 579 HB3 SER 66 3HB SER 66 1.960 16.081 8.607 580 HG SER 66 HG SER 66 -0.717 15.592 8.050 581 H GLU 67 H GLU 67 -0.449 13.638 10.531 582 HA GLU 67 HA GLU 67 -0.182 11.412 10.746 583 HB2 GLU 67 2HB GLU 67 2.760 11.905 10.111 584 HB3 GLU 67 3HB GLU 67 1.996 10.318 10.168 585 HG2 GLU 67 2HG GLU 67 0.506 10.981 8.292 586 HG3 GLU 67 3HG GLU 67 1.308 12.552 8.225 587 H LEU 68 H LEU 68 0.502 13.410 13.036 588 HA LEU 68 HA LEU 68 2.112 11.985 14.916 589 HB2 LEU 68 2HB LEU 68 1.585 14.450 14.996 590 HB3 LEU 68 3HB LEU 68 -0.050 14.063 15.474 591 HG LEU 68 HG LEU 68 1.575 14.858 17.313 592 HD11 LEU 68 1HD1 LEU 68 0.143 12.247 17.851 593 HD12 LEU 68 2HD1 LEU 68 -0.569 13.860 17.914 594 HD13 LEU 68 3HD1 LEU 68 0.688 13.411 19.064 595 HD21 LEU 68 3HD2 LEU 68 3.085 13.224 18.333 596 HD22 LEU 68 1HD2 LEU 68 3.537 13.522 16.656 597 HD23 LEU 68 2HD2 LEU 68 2.685 12.037 17.089 598 H GLY 69 H GLY 69 -1.421 12.184 14.413 599 HA2 GLY 69 2HA GLY 69 -2.074 10.204 16.426 600 HA3 GLY 69 3HA GLY 69 -3.169 10.936 15.264 Start of MODEL 4 1 H1 MET 1 1H MET 1 16.119 10.518 -18.682 2 H2 MET 1 2H MET 1 14.697 11.401 -18.896 3 H3 MET 1 3H MET 1 14.958 9.990 -19.783 4 HA MET 1 HA MET 1 14.652 10.142 -16.849 5 HB2 MET 1 2HB MET 1 12.445 9.084 -17.187 6 HB3 MET 1 3HB MET 1 12.535 10.625 -18.021 7 HG2 MET 1 2HG MET 1 12.893 9.451 -20.164 8 HG3 MET 1 3HG MET 1 12.800 7.901 -19.323 9 HE1 MET 1 3HE MET 1 10.984 8.552 -21.848 10 HE2 MET 1 1HE MET 1 9.413 7.972 -21.304 11 HE3 MET 1 2HE MET 1 10.868 7.037 -20.952 12 H GLY 2 H GLY 2 14.324 7.974 -15.864 13 HA2 GLY 2 2HA GLY 2 14.371 5.625 -15.842 14 HA3 GLY 2 3HA GLY 2 15.119 5.614 -17.425 15 H HIS 3 H HIS 3 15.635 5.125 -14.164 16 HA HIS 3 HA HIS 3 18.571 5.490 -14.297 17 HB2 HIS 3 2HB HIS 3 16.769 4.845 -11.918 18 HB3 HIS 3 3HB HIS 3 18.512 5.099 -11.837 19 HD1 HIS 3 HD1 HIS 3 19.356 7.551 -11.977 20 HD2 HIS 3 HD2 HIS 3 15.226 7.186 -12.205 21 HE1 HIS 3 HE1 HIS 3 18.458 9.868 -11.680 22 HE2 HIS 3 HE2 HIS 3 15.968 9.633 -11.880 23 H HIS 4 H HIS 4 19.885 3.724 -13.340 24 HA HIS 4 HA HIS 4 19.291 1.161 -14.512 25 HB2 HIS 4 2HB HIS 4 21.568 1.933 -12.631 26 HB3 HIS 4 3HB HIS 4 21.500 0.490 -13.641 27 HD1 HIS 4 HD1 HIS 4 22.534 4.018 -13.674 28 HD2 HIS 4 HD2 HIS 4 21.687 1.087 -16.501 29 HE1 HIS 4 HE1 HIS 4 23.479 4.865 -15.837 30 HE2 HIS 4 HE2 HIS 4 22.973 3.077 -17.521 31 H HIS 5 H HIS 5 18.321 -0.554 -13.550 32 HA HIS 5 HA HIS 5 17.135 -0.337 -10.945 33 HB2 HIS 5 2HB HIS 5 17.249 -2.739 -12.819 34 HB3 HIS 5 3HB HIS 5 16.179 -2.565 -11.429 35 HD1 HIS 5 HD1 HIS 5 16.044 -2.317 -14.944 36 HD2 HIS 5 HD2 HIS 5 14.541 0.026 -11.860 37 HE1 HIS 5 HE1 HIS 5 14.175 -0.991 -15.950 38 HE2 HIS 5 HE2 HIS 5 13.163 0.264 -14.027 39 H HIS 6 H HIS 6 18.376 -0.525 -9.174 40 HA HIS 6 HA HIS 6 20.657 -2.314 -8.959 41 HB2 HIS 6 2HB HIS 6 19.346 -0.475 -6.917 42 HB3 HIS 6 3HB HIS 6 20.849 -1.360 -6.651 43 HD1 HIS 6 HD1 HIS 6 19.446 1.541 -8.606 44 HD2 HIS 6 HD2 HIS 6 23.112 -0.271 -7.890 45 HE1 HIS 6 HE1 HIS 6 21.165 3.113 -9.521 46 HE2 HIS 6 HE2 HIS 6 23.357 1.932 -9.206 47 H HIS 7 H HIS 7 20.868 -3.809 -7.069 48 HA HIS 7 HA HIS 7 18.827 -5.790 -7.215 49 HB2 HIS 7 2HB HIS 7 21.308 -5.724 -5.453 50 HB3 HIS 7 3HB HIS 7 20.300 -7.144 -5.745 51 HD1 HIS 7 HD1 HIS 7 20.198 -7.911 -8.351 52 HD2 HIS 7 HD2 HIS 7 23.329 -5.394 -7.298 53 HE1 HIS 7 HE1 HIS 7 21.862 -8.096 -10.212 54 HE2 HIS 7 HE2 HIS 7 23.796 -6.660 -9.499 55 H HIS 8 H HIS 8 17.010 -4.644 -6.382 56 HA HIS 8 HA HIS 8 16.507 -5.049 -3.544 57 HB2 HIS 8 2HB HIS 8 16.257 -2.279 -4.823 58 HB3 HIS 8 3HB HIS 8 15.509 -2.712 -3.289 59 HD1 HIS 8 HD1 HIS 8 17.286 -3.450 -1.360 60 HD2 HIS 8 HD2 HIS 8 18.826 -1.293 -4.563 61 HE1 HIS 8 HE1 HIS 8 19.519 -2.620 -0.601 62 HE2 HIS 8 HE2 HIS 8 20.347 -1.183 -2.478 63 H SER 9 H SER 9 14.401 -5.664 -3.226 64 HA SER 9 HA SER 9 12.534 -5.776 -5.465 65 HB2 SER 9 2HB SER 9 11.046 -6.968 -3.801 66 HB3 SER 9 3HB SER 9 12.622 -7.725 -4.012 67 HG SER 9 HG SER 9 12.152 -5.862 -1.932 68 H HIS 10 H HIS 10 12.153 -3.551 -5.855 69 HA HIS 10 HA HIS 10 10.463 -2.147 -3.849 70 HB2 HIS 10 2HB HIS 10 11.453 -0.022 -4.441 71 HB3 HIS 10 3HB HIS 10 12.764 -1.130 -4.060 72 HD1 HIS 10 HD1 HIS 10 11.536 1.120 -6.665 73 HD2 HIS 10 HD2 HIS 10 14.196 -2.057 -6.451 74 HE1 HIS 10 HE1 HIS 10 12.863 1.222 -8.780 75 HE2 HIS 10 HE2 HIS 10 14.270 -0.854 -8.733 76 H MET 11 H MET 11 8.680 -1.034 -4.624 77 HA MET 11 HA MET 11 7.582 -1.563 -7.175 78 HB2 MET 11 2HB MET 11 6.913 0.653 -5.196 79 HB3 MET 11 3HB MET 11 5.910 0.183 -6.563 80 HG2 MET 11 2HG MET 11 4.971 -0.781 -4.591 81 HG3 MET 11 3HG MET 11 5.680 -2.087 -5.534 82 HE1 MET 11 3HE MET 11 4.809 -2.220 -2.396 83 HE2 MET 11 1HE MET 11 6.154 -3.117 -1.701 84 HE3 MET 11 2HE MET 11 5.455 -3.630 -3.239 85 H SER 12 H SER 12 6.910 0.218 -8.717 86 HA SER 12 HA SER 12 9.250 1.643 -9.725 87 HB2 SER 12 2HB SER 12 7.713 0.513 -11.311 88 HB3 SER 12 3HB SER 12 6.382 1.536 -10.779 89 HG SER 12 HG SER 12 7.063 3.021 -12.078 90 H HIS 13 H HIS 13 9.045 4.056 -10.305 91 HA HIS 13 HA HIS 13 8.832 5.544 -7.979 92 HB2 HIS 13 2HB HIS 13 10.117 6.302 -9.937 93 HB3 HIS 13 3HB HIS 13 8.633 6.595 -10.831 94 HD1 HIS 13 HD1 HIS 13 10.560 7.937 -7.861 95 HD2 HIS 13 HD2 HIS 13 7.453 9.076 -10.366 96 HE1 HIS 13 HE1 HIS 13 10.083 10.327 -7.299 97 HE2 HIS 13 HE2 HIS 13 8.142 10.964 -8.758 98 H THR 14 H THR 14 6.456 5.732 -10.697 99 HA THR 14 HA THR 14 4.584 7.399 -9.368 100 HB THR 14 HB THR 14 4.179 5.499 -11.726 101 HG1 THR 14 HG1 THR 14 5.352 7.001 -12.640 102 HG21 THR 14 3HG2 THR 14 2.384 7.791 -10.835 103 HG22 THR 14 1HG2 THR 14 1.977 6.074 -10.739 104 HG23 THR 14 2HG2 THR 14 2.193 6.844 -12.311 105 H GLN 15 H GLN 15 4.976 3.899 -9.465 106 HA GLN 15 HA GLN 15 2.464 3.102 -8.402 107 HB2 GLN 15 2HB GLN 15 3.999 1.645 -9.705 108 HB3 GLN 15 3HB GLN 15 5.148 1.673 -8.375 109 HG2 GLN 15 2HG GLN 15 3.512 0.488 -6.945 110 HG3 GLN 15 3HG GLN 15 2.366 0.458 -8.291 111 HE21 GLN 15 1HE2 GLN 15 2.344 -1.805 -8.387 112 HE22 GLN 15 2HE2 GLN 15 3.679 -2.729 -8.944 113 H VAL 16 H VAL 16 5.644 3.664 -6.829 114 HA VAL 16 HA VAL 16 4.932 3.172 -4.154 115 HB VAL 16 HB VAL 16 6.954 5.253 -5.161 116 HG11 VAL 16 1HG1 VAL 16 6.755 3.950 -2.410 117 HG12 VAL 16 2HG1 VAL 16 6.387 5.633 -2.792 118 HG13 VAL 16 3HG1 VAL 16 8.041 5.040 -2.940 119 HG21 VAL 16 3HG2 VAL 16 8.687 3.519 -4.832 120 HG22 VAL 16 1HG2 VAL 16 7.491 3.004 -6.020 121 HG23 VAL 16 2HG2 VAL 16 7.446 2.345 -4.385 122 H ILE 17 H ILE 17 4.755 6.157 -6.110 123 HA ILE 17 HA ILE 17 3.678 7.913 -4.195 124 HB ILE 17 HB ILE 17 3.288 7.923 -7.224 125 HG12 ILE 17 2HG1 ILE 17 5.332 9.432 -5.512 126 HG13 ILE 17 3HG1 ILE 17 5.679 8.039 -6.523 127 HG21 ILE 17 1HG2 ILE 17 1.579 9.325 -6.135 128 HG22 ILE 17 2HG2 ILE 17 2.727 10.319 -7.026 129 HG23 ILE 17 3HG2 ILE 17 2.835 10.210 -5.268 130 HD11 ILE 17 3HD1 ILE 17 6.397 10.082 -7.585 131 HD12 ILE 17 1HD1 ILE 17 4.767 10.748 -7.486 132 HD13 ILE 17 2HD1 ILE 17 5.090 9.348 -8.512 133 H GLU 18 H GLU 18 2.031 5.624 -6.403 134 HA GLU 18 HA GLU 18 -0.653 6.310 -5.836 135 HB2 GLU 18 2HB GLU 18 0.558 3.651 -6.697 136 HB3 GLU 18 3HB GLU 18 -1.174 3.949 -6.624 137 HG2 GLU 18 2HG GLU 18 0.771 5.461 -8.387 138 HG3 GLU 18 3HG GLU 18 -0.223 4.108 -8.916 139 H LEU 19 H LEU 19 1.476 3.846 -4.394 140 HA LEU 19 HA LEU 19 -0.199 2.854 -2.370 141 HB2 LEU 19 2HB LEU 19 2.814 3.196 -2.499 142 HB3 LEU 19 3HB LEU 19 2.013 2.315 -1.214 143 HG LEU 19 HG LEU 19 1.781 1.500 -4.133 144 HD11 LEU 19 1HD1 LEU 19 3.763 0.462 -2.084 145 HD12 LEU 19 2HD1 LEU 19 4.146 1.436 -3.507 146 HD13 LEU 19 3HD1 LEU 19 3.498 -0.188 -3.705 147 HD21 LEU 19 3HD2 LEU 19 1.083 -0.663 -3.211 148 HD22 LEU 19 1HD2 LEU 19 0.025 0.628 -2.651 149 HD23 LEU 19 2HD2 LEU 19 1.246 -0.039 -1.567 150 H GLU 20 H GLU 20 1.939 5.724 -2.422 151 HA GLU 20 HA GLU 20 1.581 6.536 0.292 152 HB2 GLU 20 2HB GLU 20 2.444 8.142 -2.146 153 HB3 GLU 20 3HB GLU 20 2.481 8.761 -0.498 154 HG2 GLU 20 2HG GLU 20 4.113 6.990 0.109 155 HG3 GLU 20 3HG GLU 20 4.102 6.424 -1.559 156 H ARG 21 H ARG 21 -0.217 7.191 -2.683 157 HA ARG 21 HA ARG 21 -1.903 9.241 -1.684 158 HB2 ARG 21 2HB ARG 21 -2.321 7.280 -3.975 159 HB3 ARG 21 3HB ARG 21 -3.432 8.602 -3.613 160 HG2 ARG 21 2HG ARG 21 -1.667 10.252 -4.037 161 HG3 ARG 21 3HG ARG 21 -0.496 8.962 -4.311 162 HD2 ARG 21 2HD ARG 21 -1.211 9.843 -6.450 163 HD3 ARG 21 3HD ARG 21 -1.840 8.204 -6.269 164 HE ARG 21 HE ARG 21 -3.687 10.275 -5.460 165 HH11 ARG 21 1HH1 ARG 21 -2.666 8.295 -8.109 166 HH12 ARG 21 2HH1 ARG 21 -4.084 8.630 -9.035 167 HH21 ARG 21 2HH2 ARG 21 -5.485 10.671 -6.668 168 HH22 ARG 21 1HH2 ARG 21 -5.664 9.945 -8.227 169 H LYS 22 H LYS 22 -2.151 5.709 -1.602 170 HA LYS 22 HA LYS 22 -4.722 5.641 -0.290 171 HB2 LYS 22 2HB LYS 22 -3.742 3.749 -1.655 172 HB3 LYS 22 3HB LYS 22 -2.563 3.484 -0.374 173 HG2 LYS 22 2HG LYS 22 -4.351 1.868 -0.159 174 HG3 LYS 22 3HG LYS 22 -4.428 2.990 1.203 175 HD2 LYS 22 2HD LYS 22 -6.251 4.239 0.062 176 HD3 LYS 22 3HD LYS 22 -6.174 3.110 -1.294 177 HE2 LYS 22 2HE LYS 22 -6.846 1.273 0.203 178 HE3 LYS 22 3HE LYS 22 -6.907 2.398 1.561 179 HZ1 LYS 22 3HZ LYS 22 -9.097 2.030 0.664 180 HZ2 LYS 22 1HZ LYS 22 -8.592 2.514 -0.875 181 HZ3 LYS 22 2HZ LYS 22 -8.633 3.631 0.390 182 H PHE 23 H PHE 23 -1.356 5.459 0.727 183 HA PHE 23 HA PHE 23 -1.623 4.891 3.460 184 HB2 PHE 23 2HB PHE 23 0.472 4.605 2.199 185 HB3 PHE 23 3HB PHE 23 0.579 6.337 1.930 186 HD1 PHE 23 HD2 PHE 23 0.582 3.772 4.666 187 HD2 PHE 23 HD1 PHE 23 1.815 7.681 3.447 188 HE1 PHE 23 HE2 PHE 23 1.949 3.973 6.687 189 HE2 PHE 23 HE1 PHE 23 3.184 7.876 5.471 190 HZ PHE 23 HZ PHE 23 3.257 6.024 7.097 191 H SER 24 H SER 24 -1.554 7.976 1.726 192 HA SER 24 HA SER 24 -1.413 9.720 3.900 193 HB2 SER 24 2HB SER 24 -2.206 11.459 2.329 194 HB3 SER 24 3HB SER 24 -0.966 10.443 1.592 195 HG SER 24 HG SER 24 -2.354 9.876 0.143 196 H HIS 25 H HIS 25 -4.303 8.367 2.231 197 HA HIS 25 HA HIS 25 -6.175 9.851 3.829 198 HB2 HIS 25 2HB HIS 25 -6.511 7.476 1.964 199 HB3 HIS 25 3HB HIS 25 -7.861 8.205 2.828 200 HD1 HIS 25 HD1 HIS 25 -8.287 10.831 2.239 201 HD2 HIS 25 HD2 HIS 25 -5.964 8.678 -0.437 202 HE1 HIS 25 HE1 HIS 25 -8.278 12.167 0.123 203 HE2 HIS 25 HE2 HIS 25 -6.693 10.950 -1.392 204 H GLN 26 H GLN 26 -4.784 6.572 4.005 205 HA GLN 26 HA GLN 26 -5.475 6.446 6.846 206 HB2 GLN 26 2HB GLN 26 -6.508 4.213 6.723 207 HB3 GLN 26 3HB GLN 26 -7.441 5.400 5.821 208 HG2 GLN 26 2HG GLN 26 -6.476 4.533 3.700 209 HG3 GLN 26 3HG GLN 26 -5.563 3.339 4.631 210 HE21 GLN 26 1HE2 GLN 26 -6.691 1.614 5.582 211 HE22 GLN 26 2HE2 GLN 26 -8.294 1.183 5.115 212 H LYS 27 H LYS 27 -3.957 5.450 8.024 213 HA LYS 27 HA LYS 27 -1.428 4.745 6.781 214 HB2 LYS 27 2HB LYS 27 -2.305 4.854 9.699 215 HB3 LYS 27 3HB LYS 27 -0.644 4.581 9.172 216 HG2 LYS 27 2HG LYS 27 -2.260 7.076 8.538 217 HG3 LYS 27 3HG LYS 27 -1.108 6.941 9.870 218 HD2 LYS 27 2HD LYS 27 0.744 6.672 8.359 219 HD3 LYS 27 3HD LYS 27 -0.325 6.449 6.974 220 HE2 LYS 27 2HE LYS 27 -0.070 9.027 8.551 221 HE3 LYS 27 3HE LYS 27 0.759 8.686 7.031 222 HZ1 LYS 27 3HZ LYS 27 -2.181 8.819 7.425 223 HZ2 LYS 27 1HZ LYS 27 -1.411 8.423 5.975 224 HZ3 LYS 27 2HZ LYS 27 -1.221 9.962 6.632 225 H TYR 28 H TYR 28 -3.996 3.110 8.528 226 HA TYR 28 HA TYR 28 -2.695 0.468 8.222 227 HB2 TYR 28 2HB TYR 28 -5.007 1.227 10.070 228 HB3 TYR 28 3HB TYR 28 -4.130 -0.303 10.053 229 HD1 TYR 28 HD2 TYR 28 -1.796 -0.401 10.965 230 HD2 TYR 28 HD1 TYR 28 -4.092 3.197 11.207 231 HE1 TYR 28 HE2 TYR 28 -0.234 0.484 12.640 232 HE2 TYR 28 HE1 TYR 28 -2.534 4.081 12.877 233 HH TYR 28 HH TYR 28 -0.904 3.155 14.562 234 H LEU 29 H LEU 29 -3.531 -0.789 6.630 235 HA LEU 29 HA LEU 29 -6.160 -0.222 5.445 236 HB2 LEU 29 2HB LEU 29 -4.062 -2.275 4.630 237 HB3 LEU 29 3HB LEU 29 -5.494 -1.840 3.708 238 HG LEU 29 HG LEU 29 -3.065 -0.085 4.229 239 HD11 LEU 29 1HD1 LEU 29 -2.706 -1.805 2.529 240 HD12 LEU 29 2HD1 LEU 29 -2.719 -0.193 1.821 241 HD13 LEU 29 3HD1 LEU 29 -4.127 -1.245 1.641 242 HD21 LEU 29 3HD2 LEU 29 -5.615 0.644 2.755 243 HD22 LEU 29 1HD2 LEU 29 -4.141 1.615 2.807 244 HD23 LEU 29 2HD2 LEU 29 -5.055 1.326 4.285 245 H SER 30 H SER 30 -7.897 -1.675 5.478 246 HA SER 30 HA SER 30 -7.721 -4.119 7.106 247 HB2 SER 30 2HB SER 30 -10.083 -2.967 5.554 248 HB3 SER 30 3HB SER 30 -10.154 -4.348 6.652 249 HG SER 30 HG SER 30 -9.754 -1.614 7.227 250 H ALA 31 H ALA 31 -8.868 -6.098 5.964 251 HA ALA 31 HA ALA 31 -7.200 -7.070 3.976 252 HB1 ALA 31 3HB ALA 31 -8.512 -8.524 5.460 253 HB2 ALA 31 1HB ALA 31 -8.723 -8.977 3.772 254 HB3 ALA 31 2HB ALA 31 -9.991 -8.079 4.609 255 HA PRO 32 HA PRO 32 -10.530 -6.029 0.515 256 HB2 PRO 32 2HB PRO 32 -12.133 -3.793 1.060 257 HB3 PRO 32 3HB PRO 32 -12.656 -5.483 1.182 258 HG2 PRO 32 2HG PRO 32 -11.750 -3.631 3.346 259 HG3 PRO 32 3HG PRO 32 -13.052 -4.841 3.369 260 HD2 PRO 32 2HD PRO 32 -10.657 -5.307 4.534 261 HD3 PRO 32 3HD PRO 32 -11.582 -6.608 3.757 262 H GLU 33 H GLU 33 -9.430 -3.137 2.474 263 HA GLU 33 HA GLU 33 -8.798 -1.482 0.282 264 HB2 GLU 33 2HB GLU 33 -7.528 -1.505 3.052 265 HB3 GLU 33 3HB GLU 33 -7.188 -0.282 1.836 266 HG2 GLU 33 2HG GLU 33 -8.762 0.840 3.057 267 HG3 GLU 33 3HG GLU 33 -9.815 0.061 1.884 268 H ARG 34 H ARG 34 -6.736 -3.798 2.033 269 HA ARG 34 HA ARG 34 -4.290 -3.141 0.734 270 HB2 ARG 34 2HB ARG 34 -4.440 -4.234 2.960 271 HB3 ARG 34 3HB ARG 34 -5.083 -5.690 2.207 272 HG2 ARG 34 2HG ARG 34 -2.937 -5.955 0.956 273 HG3 ARG 34 3HG ARG 34 -2.307 -4.521 1.771 274 HD2 ARG 34 2HD ARG 34 -1.498 -6.585 2.837 275 HD3 ARG 34 3HD ARG 34 -2.512 -5.650 3.945 276 HE ARG 34 HE ARG 34 -3.981 -7.632 2.486 277 HH11 ARG 34 1HH1 ARG 34 -2.012 -7.210 5.302 278 HH12 ARG 34 2HH1 ARG 34 -2.691 -8.587 6.095 279 HH21 ARG 34 1HH2 ARG 34 -4.828 -9.364 3.510 280 HH22 ARG 34 2HH2 ARG 34 -4.279 -9.786 5.097 281 H ALA 35 H ALA 35 -6.709 -5.710 0.165 282 HA ALA 35 HA ALA 35 -5.382 -7.049 -1.940 283 HB1 ALA 35 3HB ALA 35 -7.204 -8.060 -0.645 284 HB2 ALA 35 1HB ALA 35 -7.553 -8.115 -2.375 285 HB3 ALA 35 2HB ALA 35 -8.353 -6.922 -1.345 286 H HIS 36 H HIS 36 -7.938 -4.515 -2.036 287 HA HIS 36 HA HIS 36 -8.162 -4.236 -4.819 288 HB2 HIS 36 2HB HIS 36 -8.654 -2.303 -2.537 289 HB3 HIS 36 3HB HIS 36 -8.803 -1.751 -4.200 290 HD1 HIS 36 HD1 HIS 36 -10.457 -3.601 -5.638 291 HD2 HIS 36 HD2 HIS 36 -11.121 -2.968 -1.593 292 HE1 HIS 36 HE1 HIS 36 -12.840 -4.242 -5.242 293 HE2 HIS 36 HE2 HIS 36 -13.265 -3.693 -2.827 294 H LEU 37 H LEU 37 -6.064 -2.451 -2.559 295 HA LEU 37 HA LEU 37 -4.780 -0.747 -4.383 296 HB2 LEU 37 2HB LEU 37 -4.779 -0.432 -1.950 297 HB3 LEU 37 3HB LEU 37 -3.824 -1.891 -1.738 298 HG LEU 37 HG LEU 37 -1.904 -0.800 -2.884 299 HD11 LEU 37 1HD1 LEU 37 -1.902 1.598 -3.364 300 HD12 LEU 37 2HD1 LEU 37 -3.617 1.702 -2.947 301 HD13 LEU 37 3HD1 LEU 37 -3.100 0.753 -4.343 302 HD21 LEU 37 3HD2 LEU 37 -2.997 0.795 -0.554 303 HD22 LEU 37 1HD2 LEU 37 -1.316 0.751 -1.089 304 HD23 LEU 37 2HD2 LEU 37 -2.077 -0.703 -0.455 305 H ALA 38 H ALA 38 -3.903 -4.001 -3.246 306 HA ALA 38 HA ALA 38 -1.440 -4.333 -4.541 307 HB1 ALA 38 3HB ALA 38 -3.501 -6.461 -3.863 308 HB2 ALA 38 1HB ALA 38 -2.257 -5.840 -2.776 309 HB3 ALA 38 2HB ALA 38 -1.793 -6.749 -4.217 310 H LYS 39 H LYS 39 -4.689 -5.441 -5.678 311 HA LYS 39 HA LYS 39 -3.715 -6.473 -8.153 312 HB2 LYS 39 2HB LYS 39 -6.071 -6.844 -8.733 313 HB3 LYS 39 3HB LYS 39 -5.720 -7.361 -7.090 314 HG2 LYS 39 2HG LYS 39 -6.729 -5.207 -6.260 315 HG3 LYS 39 3HG LYS 39 -7.213 -4.855 -7.920 316 HD2 LYS 39 2HD LYS 39 -9.090 -5.818 -6.662 317 HD3 LYS 39 3HD LYS 39 -8.598 -6.911 -7.957 318 HE2 LYS 39 2HE LYS 39 -7.368 -8.301 -6.324 319 HE3 LYS 39 3HE LYS 39 -7.816 -7.185 -5.031 320 HZ1 LYS 39 3HZ LYS 39 -10.123 -7.737 -5.387 321 HZ2 LYS 39 1HZ LYS 39 -9.232 -9.144 -5.089 322 HZ3 LYS 39 2HZ LYS 39 -9.720 -8.771 -6.663 323 H ASN 40 H ASN 40 -5.104 -3.321 -7.324 324 HA ASN 40 HA ASN 40 -5.370 -2.239 -9.917 325 HB2 ASN 40 2HB ASN 40 -4.776 -0.870 -7.267 326 HB3 ASN 40 3HB ASN 40 -5.071 0.024 -8.756 327 HD21 ASN 40 1HD2 ASN 40 -6.596 -0.027 -6.246 328 HD22 ASN 40 2HD2 ASN 40 -8.202 -0.462 -6.689 329 H LEU 41 H LEU 41 -2.521 -2.596 -7.860 330 HA LEU 41 HA LEU 41 -0.781 -1.276 -9.882 331 HB2 LEU 41 2HB LEU 41 -0.241 -1.945 -6.964 332 HB3 LEU 41 3HB LEU 41 0.861 -1.100 -8.036 333 HG LEU 41 HG LEU 41 -1.833 -0.056 -7.090 334 HD11 LEU 41 1HD1 LEU 41 0.966 0.837 -6.351 335 HD12 LEU 41 2HD1 LEU 41 -0.165 -0.032 -5.312 336 HD13 LEU 41 3HD1 LEU 41 -0.539 1.607 -5.839 337 HD21 LEU 41 3HD2 LEU 41 0.227 1.285 -8.876 338 HD22 LEU 41 1HD2 LEU 41 -1.219 2.052 -8.214 339 HD23 LEU 41 2HD2 LEU 41 -1.377 0.726 -9.362 340 H LYS 42 H LYS 42 -1.820 -4.313 -9.321 341 HA LYS 42 HA LYS 42 -1.153 -6.431 -9.645 342 HB2 LYS 42 2HB LYS 42 0.968 -5.102 -11.368 343 HB3 LYS 42 3HB LYS 42 0.600 -6.825 -11.407 344 HG2 LYS 42 2HG LYS 42 -1.302 -4.570 -12.128 345 HG3 LYS 42 3HG LYS 42 -0.498 -5.657 -13.265 346 HD2 LYS 42 2HD LYS 42 -1.730 -7.585 -12.297 347 HD3 LYS 42 3HD LYS 42 -2.519 -6.508 -11.142 348 HE2 LYS 42 2HE LYS 42 -4.037 -7.012 -12.983 349 HE3 LYS 42 3HE LYS 42 -3.594 -5.307 -13.024 350 HZ1 LYS 42 3HZ LYS 42 -2.056 -5.751 -14.793 351 HZ2 LYS 42 1HZ LYS 42 -3.575 -6.353 -15.219 352 HZ3 LYS 42 2HZ LYS 42 -2.356 -7.412 -14.715 353 H LEU 43 H LEU 43 0.011 -4.992 -7.369 354 HA LEU 43 HA LEU 43 2.451 -6.456 -6.677 355 HB2 LEU 43 2HB LEU 43 0.666 -4.607 -5.038 356 HB3 LEU 43 3HB LEU 43 2.189 -5.280 -4.474 357 HG LEU 43 HG LEU 43 1.917 -3.385 -6.839 358 HD11 LEU 43 1HD1 LEU 43 2.872 -1.660 -5.395 359 HD12 LEU 43 2HD1 LEU 43 2.849 -2.769 -4.023 360 HD13 LEU 43 3HD1 LEU 43 1.334 -2.241 -4.757 361 HD21 LEU 43 3HD2 LEU 43 4.364 -3.205 -6.712 362 HD22 LEU 43 1HD2 LEU 43 3.863 -4.866 -7.033 363 HD23 LEU 43 2HD2 LEU 43 4.400 -4.403 -5.415 364 H THR 44 H THR 44 2.329 -7.478 -4.331 365 HA THR 44 HA THR 44 -0.098 -9.175 -4.061 366 HB THR 44 HB THR 44 1.198 -10.800 -2.855 367 HG1 THR 44 HG1 THR 44 3.606 -10.170 -2.593 368 HG21 THR 44 3HG2 THR 44 2.985 -9.804 -5.105 369 HG22 THR 44 1HG2 THR 44 1.604 -10.886 -5.297 370 HG23 THR 44 2HG2 THR 44 3.022 -11.419 -4.392 371 H GLU 45 H GLU 45 -0.996 -9.423 -1.927 372 HA GLU 45 HA GLU 45 -1.149 -7.139 -0.291 373 HB2 GLU 45 2HB GLU 45 -1.866 -10.029 0.315 374 HB3 GLU 45 3HB GLU 45 -2.218 -8.699 1.417 375 HG2 GLU 45 2HG GLU 45 -3.568 -7.617 -0.386 376 HG3 GLU 45 3HG GLU 45 -3.308 -9.044 -1.392 377 H THR 46 H THR 46 1.147 -9.803 -0.178 378 HA THR 46 HA THR 46 2.227 -9.338 2.413 379 HB THR 46 HB THR 46 3.581 -10.527 -0.061 380 HG1 THR 46 HG1 THR 46 2.129 -12.021 0.387 381 HG21 THR 46 3HG2 THR 46 4.385 -10.758 2.878 382 HG22 THR 46 1HG2 THR 46 5.266 -9.858 1.637 383 HG23 THR 46 2HG2 THR 46 5.143 -11.611 1.532 384 H GLN 47 H GLN 47 3.215 -8.201 -0.841 385 HA GLN 47 HA GLN 47 5.427 -6.620 -0.062 386 HB2 GLN 47 2HB GLN 47 3.606 -6.320 -2.484 387 HB3 GLN 47 3HB GLN 47 5.179 -5.543 -2.303 388 HG2 GLN 47 2HG GLN 47 6.296 -7.703 -2.326 389 HG3 GLN 47 3HG GLN 47 4.745 -8.541 -2.362 390 HE21 GLN 47 1HE2 GLN 47 5.607 -5.657 -4.255 391 HE22 GLN 47 2HE2 GLN 47 5.521 -6.442 -5.785 392 H VAL 48 H VAL 48 2.009 -5.766 -0.594 393 HA VAL 48 HA VAL 48 2.210 -2.990 -0.048 394 HB VAL 48 HB VAL 48 -0.204 -4.854 0.178 395 HG11 VAL 48 1HG1 VAL 48 -0.166 -1.810 0.060 396 HG12 VAL 48 2HG1 VAL 48 -0.631 -2.793 1.448 397 HG13 VAL 48 3HG1 VAL 48 -1.613 -2.822 -0.014 398 HG21 VAL 48 3HG2 VAL 48 -0.812 -4.008 -2.072 399 HG22 VAL 48 1HG2 VAL 48 0.762 -4.804 -2.094 400 HG23 VAL 48 2HG2 VAL 48 0.665 -3.043 -2.119 401 H LYS 49 H LYS 49 1.601 -5.792 2.071 402 HA LYS 49 HA LYS 49 1.006 -4.416 4.477 403 HB2 LYS 49 2HB LYS 49 0.531 -6.810 4.163 404 HB3 LYS 49 3HB LYS 49 2.251 -7.163 4.048 405 HG2 LYS 49 2HG LYS 49 2.529 -6.422 6.418 406 HG3 LYS 49 3HG LYS 49 0.787 -6.151 6.516 407 HD2 LYS 49 2HD LYS 49 1.383 -8.316 7.512 408 HD3 LYS 49 3HD LYS 49 0.383 -8.554 6.075 409 HE2 LYS 49 2HE LYS 49 2.382 -9.128 4.757 410 HE3 LYS 49 3HE LYS 49 3.415 -8.809 6.151 411 HZ1 LYS 49 3HZ LYS 49 3.063 -11.145 5.936 412 HZ2 LYS 49 1HZ LYS 49 1.389 -10.952 5.899 413 HZ3 LYS 49 2HZ LYS 49 2.242 -10.618 7.314 414 H ILE 50 H ILE 50 4.080 -5.767 3.267 415 HA ILE 50 HA ILE 50 5.749 -4.934 5.400 416 HB ILE 50 HB ILE 50 6.458 -5.646 2.511 417 HG12 ILE 50 2HG1 ILE 50 6.589 -7.353 5.055 418 HG13 ILE 50 3HG1 ILE 50 5.329 -7.462 3.832 419 HG21 ILE 50 1HG2 ILE 50 8.329 -5.422 4.911 420 HG22 ILE 50 2HG2 ILE 50 8.295 -4.343 3.516 421 HG23 ILE 50 3HG2 ILE 50 8.780 -6.025 3.313 422 HD11 ILE 50 3HD1 ILE 50 6.922 -9.254 3.603 423 HD12 ILE 50 1HD1 ILE 50 8.246 -8.103 3.429 424 HD13 ILE 50 2HD1 ILE 50 6.989 -8.201 2.192 425 H TRP 51 H TRP 51 4.909 -3.423 2.287 426 HA TRP 51 HA TRP 51 6.613 -1.200 2.364 427 HB2 TRP 51 2HB TRP 51 5.209 -1.987 0.376 428 HB3 TRP 51 3HB TRP 51 3.817 -1.235 1.139 429 HD1 TRP 51 HD1 TRP 51 7.017 -0.363 -0.783 430 HE1 TRP 51 HE1 TRP 51 6.958 2.110 -1.460 431 HE3 TRP 51 HE3 TRP 51 2.888 1.089 1.832 432 HZ2 TRP 51 HZ2 TRP 51 5.363 4.386 -0.954 433 HZ3 TRP 51 HZ3 TRP 51 2.151 3.429 1.691 434 HH2 TRP 51 HH2 TRP 51 3.369 5.045 0.324 435 H PHE 52 H PHE 52 3.129 -1.297 3.257 436 HA PHE 52 HA PHE 52 2.952 1.189 4.511 437 HB2 PHE 52 2HB PHE 52 1.303 -1.332 4.638 438 HB3 PHE 52 3HB PHE 52 0.977 -0.093 5.846 439 HD1 PHE 52 HD1 PHE 52 1.384 -0.451 2.113 440 HD2 PHE 52 HD2 PHE 52 -0.551 1.615 5.314 441 HE1 PHE 52 HE1 PHE 52 0.045 0.817 0.494 442 HE2 PHE 52 HE2 PHE 52 -1.891 2.872 3.690 443 HZ PHE 52 HZ PHE 52 -1.593 2.482 1.276 444 H GLN 53 H GLN 53 4.086 -1.866 5.892 445 HA GLN 53 HA GLN 53 4.205 -1.062 8.615 446 HB2 GLN 53 2HB GLN 53 4.348 -3.425 8.018 447 HB3 GLN 53 3HB GLN 53 5.818 -3.152 7.087 448 HG2 GLN 53 2HG GLN 53 7.023 -2.566 9.160 449 HG3 GLN 53 3HG GLN 53 5.553 -2.820 10.094 450 HE21 GLN 53 1HE2 GLN 53 8.225 -4.135 10.188 451 HE22 GLN 53 2HE2 GLN 53 7.895 -5.825 10.054 452 H ASN 54 H ASN 54 6.746 -1.101 6.077 453 HA ASN 54 HA ASN 54 8.839 0.090 7.534 454 HB2 ASN 54 2HB ASN 54 8.300 0.116 4.536 455 HB3 ASN 54 3HB ASN 54 9.805 0.673 5.262 456 HD21 ASN 54 1HD2 ASN 54 9.322 -1.523 3.375 457 HD22 ASN 54 2HD2 ASN 54 9.965 -2.934 4.130 458 H ARG 55 H ARG 55 6.357 1.552 5.479 459 HA ARG 55 HA ARG 55 7.185 4.206 5.528 460 HB2 ARG 55 2HB ARG 55 4.632 2.782 4.928 461 HB3 ARG 55 3HB ARG 55 4.475 4.489 5.289 462 HG2 ARG 55 2HG ARG 55 4.637 4.051 2.890 463 HG3 ARG 55 3HG ARG 55 5.931 5.091 3.473 464 HD2 ARG 55 2HD ARG 55 6.501 2.150 3.297 465 HD3 ARG 55 3HD ARG 55 6.371 3.048 1.793 466 HE ARG 55 HE ARG 55 8.113 4.440 3.470 467 HH11 ARG 55 1HH1 ARG 55 8.015 1.359 1.873 468 HH12 ARG 55 2HH1 ARG 55 9.710 1.375 1.540 469 HH21 ARG 55 1HH2 ARG 55 10.276 4.429 2.977 470 HH22 ARG 55 2HH2 ARG 55 10.958 3.072 2.145 471 H ARG 56 H ARG 56 4.854 2.597 7.760 472 HA ARG 56 HA ARG 56 4.399 4.923 9.359 473 HB2 ARG 56 2HB ARG 56 3.935 1.980 9.954 474 HB3 ARG 56 3HB ARG 56 3.387 3.293 10.994 475 HG2 ARG 56 2HG ARG 56 1.978 4.166 9.165 476 HG3 ARG 56 3HG ARG 56 2.526 2.856 8.115 477 HD2 ARG 56 2HD ARG 56 0.918 2.576 10.670 478 HD3 ARG 56 3HD ARG 56 0.328 2.336 9.022 479 HE ARG 56 HE ARG 56 2.361 0.619 10.328 480 HH11 ARG 56 1HH1 ARG 56 -0.332 0.925 8.184 481 HH12 ARG 56 2HH1 ARG 56 -0.406 -0.770 7.884 482 HH21 ARG 56 1HH2 ARG 56 2.234 -1.530 9.926 483 HH22 ARG 56 2HH2 ARG 56 1.020 -2.143 8.863 484 H TYR 57 H TYR 57 6.787 2.370 9.444 485 HA TYR 57 HA TYR 57 8.025 2.958 11.946 486 HB2 TYR 57 2HB TYR 57 8.315 0.824 10.704 487 HB3 TYR 57 3HB TYR 57 9.138 1.675 9.408 488 HD1 TYR 57 HD1 TYR 57 9.435 1.022 13.109 489 HD2 TYR 57 HD2 TYR 57 11.513 1.715 9.430 490 HE1 TYR 57 HE1 TYR 57 11.573 0.577 14.230 491 HE2 TYR 57 HE2 TYR 57 13.649 1.275 10.559 492 HH TYR 57 HH TYR 57 13.858 -0.110 13.670 493 H LYS 58 H LYS 58 8.314 4.294 8.698 494 HA LYS 58 HA LYS 58 10.696 5.910 9.333 495 HB2 LYS 58 2HB LYS 58 9.170 5.491 6.736 496 HB3 LYS 58 3HB LYS 58 10.578 6.540 6.897 497 HG2 LYS 58 2HG LYS 58 11.980 4.628 7.500 498 HG3 LYS 58 3HG LYS 58 10.578 3.556 7.456 499 HD2 LYS 58 2HD LYS 58 10.315 4.017 5.028 500 HD3 LYS 58 3HD LYS 58 11.737 5.066 5.080 501 HE2 LYS 58 2HE LYS 58 11.711 2.090 5.699 502 HE3 LYS 58 3HE LYS 58 12.290 2.822 4.203 503 HZ1 LYS 58 3HZ LYS 58 14.110 2.297 5.695 504 HZ2 LYS 58 1HZ LYS 58 13.443 3.267 6.906 505 HZ3 LYS 58 2HZ LYS 58 13.999 3.967 5.473 506 H THR 59 H THR 59 7.253 6.286 9.323 507 HA THR 59 HA THR 59 7.367 9.201 8.979 508 HB THR 59 HB THR 59 4.861 9.156 9.306 509 HG1 THR 59 HG1 THR 59 5.031 6.955 10.411 510 HG21 THR 59 3HG2 THR 59 5.916 7.380 7.075 511 HG22 THR 59 1HG2 THR 59 5.816 9.144 7.037 512 HG23 THR 59 2HG2 THR 59 4.344 8.177 7.101 513 H LYS 60 H LYS 60 8.520 9.844 10.752 514 HA LYS 60 HA LYS 60 7.536 9.344 13.469 515 HB2 LYS 60 2HB LYS 60 10.001 9.350 12.807 516 HB3 LYS 60 3HB LYS 60 9.876 11.079 12.550 517 HG2 LYS 60 2HG LYS 60 9.091 9.983 15.242 518 HG3 LYS 60 3HG LYS 60 10.800 10.030 14.836 519 HD2 LYS 60 2HD LYS 60 8.927 12.431 14.876 520 HD3 LYS 60 3HD LYS 60 10.100 12.021 16.128 521 HE2 LYS 60 2HE LYS 60 11.917 12.245 14.395 522 HE3 LYS 60 3HE LYS 60 10.701 12.838 13.264 523 HZ1 LYS 60 3HZ LYS 60 11.455 14.099 15.843 524 HZ2 LYS 60 1HZ LYS 60 10.264 14.674 14.786 525 HZ3 LYS 60 2HZ LYS 60 11.884 14.645 14.301 526 H ARG 61 H ARG 61 6.814 11.081 14.847 527 HA ARG 61 HA ARG 61 4.950 12.799 13.592 528 HB2 ARG 61 2HB ARG 61 5.879 12.657 16.481 529 HB3 ARG 61 3HB ARG 61 4.549 13.679 15.935 530 HG2 ARG 61 2HG ARG 61 3.345 11.660 15.136 531 HG3 ARG 61 3HG ARG 61 4.656 10.648 15.753 532 HD2 ARG 61 2HD ARG 61 2.745 10.716 17.321 533 HD3 ARG 61 3HD ARG 61 4.197 11.414 18.038 534 HE ARG 61 HE ARG 61 3.166 13.456 18.138 535 HH11 ARG 61 1HH1 ARG 61 1.242 11.509 15.992 536 HH12 ARG 61 2HH1 ARG 61 -0.106 12.581 16.093 537 HH21 ARG 61 1HH2 ARG 61 1.420 14.774 18.228 538 HH22 ARG 61 2HH2 ARG 61 -0.006 14.396 17.329 539 H LYS 62 H LYS 62 4.663 15.087 13.929 540 HA LYS 62 HA LYS 62 5.169 17.255 13.601 541 HB2 LYS 62 2HB LYS 62 7.728 16.584 15.111 542 HB3 LYS 62 3HB LYS 62 7.192 18.219 14.750 543 HG2 LYS 62 2HG LYS 62 5.734 16.216 16.511 544 HG3 LYS 62 3HG LYS 62 6.691 17.585 17.080 545 HD2 LYS 62 2HD LYS 62 4.147 17.778 15.411 546 HD3 LYS 62 3HD LYS 62 4.253 18.056 17.148 547 HE2 LYS 62 2HE LYS 62 5.653 20.020 16.797 548 HE3 LYS 62 3HE LYS 62 5.742 19.700 15.064 549 HZ1 LYS 62 3HZ LYS 62 3.271 20.389 16.567 550 HZ2 LYS 62 1HZ LYS 62 3.360 20.069 14.911 551 HZ3 LYS 62 2HZ LYS 62 4.135 21.426 15.549 552 H GLN 63 H GLN 63 5.914 15.276 11.573 553 HA GLN 63 HA GLN 63 7.970 16.804 10.049 554 HB2 GLN 63 2HB GLN 63 7.189 13.869 9.812 555 HB3 GLN 63 3HB GLN 63 8.316 14.687 8.736 556 HG2 GLN 63 2HG GLN 63 8.720 14.282 11.720 557 HG3 GLN 63 3HG GLN 63 9.449 13.305 10.448 558 HE21 GLN 63 1HE2 GLN 63 9.530 16.398 12.070 559 HE22 GLN 63 2HE2 GLN 63 11.036 16.916 11.410 560 H LEU 64 H LEU 64 7.600 16.345 7.548 561 HA LEU 64 HA LEU 64 5.052 17.616 6.941 562 HB2 LEU 64 2HB LEU 64 7.538 17.096 5.273 563 HB3 LEU 64 3HB LEU 64 6.090 17.819 4.599 564 HG LEU 64 HG LEU 64 7.625 19.607 5.051 565 HD11 LEU 64 1HD1 LEU 64 5.542 19.635 7.255 566 HD12 LEU 64 2HD1 LEU 64 5.293 20.131 5.580 567 HD13 LEU 64 3HD1 LEU 64 6.398 21.037 6.607 568 HD21 LEU 64 3HD2 LEU 64 9.121 18.475 6.642 569 HD22 LEU 64 1HD2 LEU 64 7.900 18.615 7.910 570 HD23 LEU 64 2HD2 LEU 64 8.647 20.066 7.233 571 H SER 65 H SER 65 5.355 14.552 7.474 572 HA SER 65 HA SER 65 4.056 13.468 5.072 573 HB2 SER 65 2HB SER 65 5.660 12.033 6.305 574 HB3 SER 65 3HB SER 65 4.658 12.138 7.749 575 HG SER 65 HG SER 65 4.480 10.387 5.798 576 H SER 66 H SER 66 2.054 12.053 5.593 577 HA SER 66 HA SER 66 -0.044 13.926 6.376 578 HB2 SER 66 2HB SER 66 -1.524 12.248 5.281 579 HB3 SER 66 3HB SER 66 -0.167 12.694 4.239 580 HG SER 66 HG SER 66 0.563 10.712 4.359 581 H GLU 67 H GLU 67 1.305 13.069 8.690 582 HA GLU 67 HA GLU 67 0.382 10.724 9.958 583 HB2 GLU 67 2HB GLU 67 1.358 11.698 12.013 584 HB3 GLU 67 3HB GLU 67 2.438 11.887 10.635 585 HG2 GLU 67 2HG GLU 67 1.690 14.240 10.384 586 HG3 GLU 67 3HG GLU 67 0.647 14.051 11.791 587 H LEU 68 H LEU 68 -0.831 10.714 12.105 588 HA LEU 68 HA LEU 68 -2.993 12.687 12.337 589 HB2 LEU 68 2HB LEU 68 -3.506 10.392 10.889 590 HB3 LEU 68 3HB LEU 68 -3.957 9.846 12.488 591 HG LEU 68 HG LEU 68 -5.169 12.179 10.945 592 HD11 LEU 68 1HD1 LEU 68 -6.419 9.558 11.802 593 HD12 LEU 68 2HD1 LEU 68 -5.918 9.994 10.166 594 HD13 LEU 68 3HD1 LEU 68 -7.228 10.874 10.944 595 HD21 LEU 68 3HD2 LEU 68 -6.752 12.499 12.793 596 HD22 LEU 68 1HD2 LEU 68 -5.095 12.796 13.315 597 HD23 LEU 68 2HD2 LEU 68 -5.900 11.288 13.754 598 H GLY 69 H GLY 69 -1.781 9.578 13.684 599 HA2 GLY 69 2HA GLY 69 -0.742 10.084 16.028 600 HA3 GLY 69 3HA GLY 69 -2.406 10.472 16.431 Start of MODEL 5 1 H1 MET 1 1H MET 1 9.844 -27.873 9.662 2 H2 MET 1 2H MET 1 10.081 -27.425 11.271 3 H3 MET 1 3H MET 1 10.710 -28.886 10.706 4 HA MET 1 HA MET 1 12.428 -27.213 10.948 5 HB2 MET 1 2HB MET 1 11.838 -27.910 8.037 6 HB3 MET 1 3HB MET 1 13.398 -27.379 8.655 7 HG2 MET 1 2HG MET 1 13.459 -29.762 8.357 8 HG3 MET 1 3HG MET 1 13.477 -29.418 10.088 9 HE1 MET 1 3HE MET 1 12.814 -32.342 8.929 10 HE2 MET 1 1HE MET 1 11.417 -32.785 9.908 11 HE3 MET 1 2HE MET 1 12.792 -31.972 10.656 12 H GLY 2 H GLY 2 13.252 -25.141 10.483 13 HA2 GLY 2 2HA GLY 2 11.300 -23.060 10.120 14 HA3 GLY 2 3HA GLY 2 13.023 -22.856 10.369 15 H HIS 3 H HIS 3 10.486 -23.168 7.995 16 HA HIS 3 HA HIS 3 12.363 -22.562 5.769 17 HB2 HIS 3 2HB HIS 3 10.635 -23.481 4.256 18 HB3 HIS 3 3HB HIS 3 11.114 -24.663 5.464 19 HD1 HIS 3 HD1 HIS 3 8.228 -22.439 4.517 20 HD2 HIS 3 HD2 HIS 3 9.058 -25.574 7.111 21 HE1 HIS 3 HE1 HIS 3 6.014 -23.132 5.463 22 HE2 HIS 3 HE2 HIS 3 6.560 -24.931 7.129 23 H HIS 4 H HIS 4 10.964 -20.644 7.765 24 HA HIS 4 HA HIS 4 9.081 -19.090 6.279 25 HB2 HIS 4 2HB HIS 4 10.819 -18.275 8.638 26 HB3 HIS 4 3HB HIS 4 9.490 -17.314 7.997 27 HD1 HIS 4 HD1 HIS 4 10.109 -19.300 10.764 28 HD2 HIS 4 HD2 HIS 4 7.002 -19.245 8.002 29 HE1 HIS 4 HE1 HIS 4 8.159 -20.356 11.915 30 HE2 HIS 4 HE2 HIS 4 6.328 -20.407 10.206 31 H HIS 5 H HIS 5 9.381 -17.566 4.746 32 HA HIS 5 HA HIS 5 11.798 -15.958 4.618 33 HB2 HIS 5 2HB HIS 5 12.137 -16.397 2.153 34 HB3 HIS 5 3HB HIS 5 12.514 -17.760 3.193 35 HD1 HIS 5 HD1 HIS 5 10.816 -19.794 3.122 36 HD2 HIS 5 HD2 HIS 5 10.213 -16.895 0.213 37 HE1 HIS 5 HE1 HIS 5 9.352 -20.862 1.404 38 HE2 HIS 5 HE2 HIS 5 8.966 -19.090 -0.328 39 H HIS 6 H HIS 6 11.093 -13.924 4.549 40 HA HIS 6 HA HIS 6 8.431 -13.189 3.623 41 HB2 HIS 6 2HB HIS 6 10.697 -11.466 4.721 42 HB3 HIS 6 3HB HIS 6 9.057 -10.901 4.404 43 HD1 HIS 6 HD1 HIS 6 7.207 -11.671 6.067 44 HD2 HIS 6 HD2 HIS 6 11.024 -12.941 7.082 45 HE1 HIS 6 HE1 HIS 6 7.044 -12.460 8.440 46 HE2 HIS 6 HE2 HIS 6 9.354 -13.265 9.013 47 H HIS 7 H HIS 7 7.918 -12.186 1.705 48 HA HIS 7 HA HIS 7 9.696 -12.490 -0.475 49 HB2 HIS 7 2HB HIS 7 7.147 -12.630 -0.561 50 HB3 HIS 7 3HB HIS 7 7.113 -10.872 -0.545 51 HD1 HIS 7 HD1 HIS 7 7.542 -13.755 -2.776 52 HD2 HIS 7 HD2 HIS 7 8.307 -9.675 -2.947 53 HE1 HIS 7 HE1 HIS 7 7.930 -13.247 -5.189 54 HE2 HIS 7 HE2 HIS 7 8.217 -10.759 -5.287 55 H HIS 8 H HIS 8 11.273 -11.204 -1.118 56 HA HIS 8 HA HIS 8 11.582 -8.449 -0.214 57 HB2 HIS 8 2HB HIS 8 13.353 -10.002 -2.158 58 HB3 HIS 8 3HB HIS 8 13.774 -8.545 -1.262 59 HD1 HIS 8 HD1 HIS 8 14.660 -8.877 1.127 60 HD2 HIS 8 HD2 HIS 8 13.298 -12.394 -0.605 61 HE1 HIS 8 HE1 HIS 8 15.457 -10.718 2.621 62 HE2 HIS 8 HE2 HIS 8 14.773 -12.825 1.451 63 H SER 9 H SER 9 10.783 -6.739 -1.346 64 HA SER 9 HA SER 9 10.654 -6.790 -4.276 65 HB2 SER 9 2HB SER 9 8.441 -7.659 -3.564 66 HB3 SER 9 3HB SER 9 8.182 -6.197 -2.611 67 HG SER 9 HG SER 9 8.249 -6.528 -5.400 68 H HIS 10 H HIS 10 10.743 -4.804 -5.248 69 HA HIS 10 HA HIS 10 11.046 -2.407 -3.517 70 HB2 HIS 10 2HB HIS 10 12.687 -3.130 -5.988 71 HB3 HIS 10 3HB HIS 10 12.833 -1.634 -5.066 72 HD1 HIS 10 HD1 HIS 10 13.929 -1.817 -2.685 73 HD2 HIS 10 HD2 HIS 10 13.993 -5.353 -4.868 74 HE1 HIS 10 HE1 HIS 10 15.545 -3.318 -1.495 75 HE2 HIS 10 HE2 HIS 10 15.579 -5.433 -2.837 76 H MET 11 H MET 11 9.113 -1.469 -3.871 77 HA MET 11 HA MET 11 7.505 -1.601 -6.147 78 HB2 MET 11 2HB MET 11 7.498 0.415 -3.865 79 HB3 MET 11 3HB MET 11 6.235 0.330 -5.091 80 HG2 MET 11 2HG MET 11 5.552 -0.820 -3.043 81 HG3 MET 11 3HG MET 11 5.673 -1.947 -4.397 82 HE1 MET 11 3HE MET 11 5.650 -2.702 -1.163 83 HE2 MET 11 1HE MET 11 6.806 -4.032 -1.199 84 HE3 MET 11 2HE MET 11 5.586 -3.892 -2.465 85 H SER 12 H SER 12 6.971 -0.149 -7.772 86 HA SER 12 HA SER 12 9.221 1.302 -8.917 87 HB2 SER 12 2HB SER 12 7.787 -0.119 -10.339 88 HB3 SER 12 3HB SER 12 6.389 0.883 -9.960 89 HG SER 12 HG SER 12 7.056 1.718 -11.816 90 H HIS 13 H HIS 13 8.949 3.550 -9.826 91 HA HIS 13 HA HIS 13 8.516 5.395 -7.781 92 HB2 HIS 13 2HB HIS 13 10.007 5.740 -9.771 93 HB3 HIS 13 3HB HIS 13 8.588 6.000 -10.772 94 HD1 HIS 13 HD1 HIS 13 10.962 7.753 -8.615 95 HD2 HIS 13 HD2 HIS 13 7.126 8.462 -10.043 96 HE1 HIS 13 HE1 HIS 13 10.567 10.201 -8.301 97 HE2 HIS 13 HE2 HIS 13 8.175 10.559 -8.977 98 H THR 14 H THR 14 6.487 5.001 -10.725 99 HA THR 14 HA THR 14 4.468 6.859 -10.020 100 HB THR 14 HB THR 14 4.307 4.492 -11.944 101 HG1 THR 14 HG1 THR 14 5.739 5.692 -12.950 102 HG21 THR 14 3HG2 THR 14 2.605 7.020 -11.840 103 HG22 THR 14 1HG2 THR 14 2.052 5.384 -11.454 104 HG23 THR 14 2HG2 THR 14 2.540 5.785 -13.099 105 H GLN 15 H GLN 15 4.789 3.410 -9.462 106 HA GLN 15 HA GLN 15 2.246 2.817 -8.376 107 HB2 GLN 15 2HB GLN 15 3.741 1.098 -9.176 108 HB3 GLN 15 3HB GLN 15 4.990 1.569 -8.027 109 HG2 GLN 15 2HG GLN 15 3.628 0.761 -6.165 110 HG3 GLN 15 3HG GLN 15 2.307 0.368 -7.271 111 HE21 GLN 15 1HE2 GLN 15 2.538 -1.407 -8.650 112 HE22 GLN 15 2HE2 GLN 15 3.739 -2.615 -8.379 113 H VAL 16 H VAL 16 5.305 3.803 -6.820 114 HA VAL 16 HA VAL 16 4.481 3.755 -4.139 115 HB VAL 16 HB VAL 16 6.690 5.343 -5.530 116 HG11 VAL 16 1HG1 VAL 16 7.624 5.911 -3.289 117 HG12 VAL 16 2HG1 VAL 16 6.177 5.247 -2.522 118 HG13 VAL 16 3HG1 VAL 16 6.053 6.670 -3.554 119 HG21 VAL 16 3HG2 VAL 16 6.802 2.944 -3.643 120 HG22 VAL 16 1HG2 VAL 16 8.192 3.723 -4.407 121 HG23 VAL 16 2HG2 VAL 16 6.997 2.886 -5.394 122 H ILE 17 H ILE 17 4.216 6.331 -6.618 123 HA ILE 17 HA ILE 17 3.193 8.429 -5.077 124 HB ILE 17 HB ILE 17 2.355 7.656 -7.915 125 HG12 ILE 17 2HG1 ILE 17 4.518 9.623 -7.003 126 HG13 ILE 17 3HG1 ILE 17 4.813 8.021 -7.667 127 HG21 ILE 17 1HG2 ILE 17 0.738 9.232 -6.940 128 HG22 ILE 17 2HG2 ILE 17 1.678 10.029 -8.198 129 HG23 ILE 17 3HG2 ILE 17 2.042 10.337 -6.497 130 HD11 ILE 17 3HD1 ILE 17 5.206 9.740 -9.322 131 HD12 ILE 17 1HD1 ILE 17 3.556 10.336 -9.137 132 HD13 ILE 17 2HD1 ILE 17 3.845 8.727 -9.804 133 H GLU 18 H GLU 18 1.397 5.722 -6.598 134 HA GLU 18 HA GLU 18 -1.207 6.426 -5.708 135 HB2 GLU 18 2HB GLU 18 -0.026 3.733 -6.517 136 HB3 GLU 18 3HB GLU 18 -1.745 3.996 -6.226 137 HG2 GLU 18 2HG GLU 18 -0.071 5.338 -8.372 138 HG3 GLU 18 3HG GLU 18 -1.225 4.026 -8.616 139 H LEU 19 H LEU 19 1.232 4.247 -4.341 140 HA LEU 19 HA LEU 19 -0.189 3.316 -2.082 141 HB2 LEU 19 2HB LEU 19 2.778 3.652 -2.649 142 HB3 LEU 19 3HB LEU 19 2.174 2.853 -1.211 143 HG LEU 19 HG LEU 19 1.505 1.859 -4.004 144 HD11 LEU 19 1HD1 LEU 19 3.288 0.189 -3.762 145 HD12 LEU 19 2HD1 LEU 19 3.821 0.958 -2.264 146 HD13 LEU 19 3HD1 LEU 19 3.937 1.828 -3.796 147 HD21 LEU 19 3HD2 LEU 19 0.022 1.071 -2.206 148 HD22 LEU 19 1HD2 LEU 19 1.414 0.470 -1.301 149 HD23 LEU 19 2HD2 LEU 19 0.988 -0.247 -2.859 150 H GLU 20 H GLU 20 1.828 6.230 -2.568 151 HA GLU 20 HA GLU 20 1.896 7.215 0.072 152 HB2 GLU 20 2HB GLU 20 2.197 8.546 -2.646 153 HB3 GLU 20 3HB GLU 20 2.358 9.455 -1.152 154 HG2 GLU 20 2HG GLU 20 4.095 7.065 -1.830 155 HG3 GLU 20 3HG GLU 20 4.512 8.716 -2.278 156 H ARG 21 H ARG 21 -0.304 7.856 -2.676 157 HA ARG 21 HA ARG 21 -2.018 9.761 -1.554 158 HB2 ARG 21 2HB ARG 21 -2.669 7.520 -3.515 159 HB3 ARG 21 3HB ARG 21 -3.753 8.862 -3.158 160 HG2 ARG 21 2HG ARG 21 -2.191 10.457 -4.112 161 HG3 ARG 21 3HG ARG 21 -0.976 9.197 -4.332 162 HD2 ARG 21 2HD ARG 21 -2.071 9.710 -6.459 163 HD3 ARG 21 3HD ARG 21 -2.441 8.056 -5.959 164 HE ARG 21 HE ARG 21 -4.470 9.824 -5.073 165 HH11 ARG 21 1HH1 ARG 21 -3.379 8.262 -7.976 166 HH12 ARG 21 2HH1 ARG 21 -4.925 8.394 -8.736 167 HH21 ARG 21 1HH2 ARG 21 -6.421 9.958 -6.084 168 HH22 ARG 21 2HH2 ARG 21 -6.617 9.339 -7.684 169 H LYS 22 H LYS 22 -2.219 6.212 -1.442 170 HA LYS 22 HA LYS 22 -4.605 6.022 0.078 171 HB2 LYS 22 2HB LYS 22 -3.684 4.215 -1.380 172 HB3 LYS 22 3HB LYS 22 -2.363 3.982 -0.243 173 HG2 LYS 22 2HG LYS 22 -4.024 2.249 0.074 174 HG3 LYS 22 3HG LYS 22 -3.994 3.293 1.493 175 HD2 LYS 22 2HD LYS 22 -6.047 4.421 0.762 176 HD3 LYS 22 3HD LYS 22 -6.049 3.511 -0.752 177 HE2 LYS 22 2HE LYS 22 -6.462 1.431 0.452 178 HE3 LYS 22 3HE LYS 22 -6.301 2.255 2.003 179 HZ1 LYS 22 3HZ LYS 22 -8.425 2.729 -0.007 180 HZ2 LYS 22 1HZ LYS 22 -8.254 3.568 1.450 181 HZ3 LYS 22 2HZ LYS 22 -8.601 1.917 1.465 182 H PHE 23 H PHE 23 -1.164 5.965 1.002 183 HA PHE 23 HA PHE 23 -1.478 5.464 3.769 184 HB2 PHE 23 2HB PHE 23 0.652 5.209 2.394 185 HB3 PHE 23 3HB PHE 23 0.834 6.957 2.456 186 HD1 PHE 23 HD2 PHE 23 0.635 3.910 4.603 187 HD2 PHE 23 HD1 PHE 23 1.901 7.973 4.370 188 HE1 PHE 23 HE2 PHE 23 1.815 3.653 6.726 189 HE2 PHE 23 HE1 PHE 23 3.088 7.715 6.498 190 HZ PHE 23 HZ PHE 23 3.051 5.558 7.683 191 H SER 24 H SER 24 -1.341 8.513 1.939 192 HA SER 24 HA SER 24 -1.351 10.327 4.082 193 HB2 SER 24 2HB SER 24 -2.372 10.677 1.239 194 HB3 SER 24 3HB SER 24 -2.142 12.001 2.386 195 HG SER 24 HG SER 24 -0.329 10.757 0.829 196 H HIS 25 H HIS 25 -4.098 8.686 2.446 197 HA HIS 25 HA HIS 25 -6.081 10.182 3.966 198 HB2 HIS 25 2HB HIS 25 -6.286 7.829 2.051 199 HB3 HIS 25 3HB HIS 25 -7.682 8.485 2.902 200 HD1 HIS 25 HD1 HIS 25 -8.990 9.833 1.266 201 HD2 HIS 25 HD2 HIS 25 -4.907 10.380 0.770 202 HE1 HIS 25 HE1 HIS 25 -8.749 11.493 -0.591 203 HE2 HIS 25 HE2 HIS 25 -6.276 11.712 -0.945 204 H GLN 26 H GLN 26 -4.427 7.076 4.220 205 HA GLN 26 HA GLN 26 -5.293 6.738 6.963 206 HB2 GLN 26 2HB GLN 26 -6.311 4.514 6.666 207 HB3 GLN 26 3HB GLN 26 -7.205 5.747 5.785 208 HG2 GLN 26 2HG GLN 26 -6.095 5.015 3.678 209 HG3 GLN 26 3HG GLN 26 -5.269 3.740 4.581 210 HE21 GLN 26 1HE2 GLN 26 -6.483 1.996 5.343 211 HE22 GLN 26 2HE2 GLN 26 -8.064 1.651 4.752 212 H LYS 27 H LYS 27 -3.785 5.679 8.134 213 HA LYS 27 HA LYS 27 -1.263 4.976 6.914 214 HB2 LYS 27 2HB LYS 27 -2.171 4.750 9.818 215 HB3 LYS 27 3HB LYS 27 -0.509 4.599 9.249 216 HG2 LYS 27 2HG LYS 27 -2.230 7.105 9.135 217 HG3 LYS 27 3HG LYS 27 -0.870 6.808 10.226 218 HD2 LYS 27 2HD LYS 27 0.629 6.645 8.217 219 HD3 LYS 27 3HD LYS 27 -0.741 7.082 7.197 220 HE2 LYS 27 2HE LYS 27 0.509 8.804 9.359 221 HE3 LYS 27 3HE LYS 27 0.683 9.028 7.619 222 HZ1 LYS 27 3HZ LYS 27 -1.733 9.377 7.512 223 HZ2 LYS 27 1HZ LYS 27 -0.942 10.528 8.465 224 HZ3 LYS 27 2HZ LYS 27 -1.811 9.279 9.197 225 H TYR 28 H TYR 28 -3.801 3.232 8.681 226 HA TYR 28 HA TYR 28 -2.544 0.615 8.160 227 HB2 TYR 28 2HB TYR 28 -4.937 1.296 9.921 228 HB3 TYR 28 3HB TYR 28 -4.121 -0.266 9.836 229 HD1 TYR 28 HD1 TYR 28 -3.913 3.201 11.117 230 HD2 TYR 28 HD2 TYR 28 -1.929 -0.585 10.953 231 HE1 TYR 28 HE1 TYR 28 -2.412 3.916 12.908 232 HE2 TYR 28 HE2 TYR 28 -0.416 0.137 12.754 233 HH TYR 28 HH TYR 28 -0.982 2.982 14.591 234 H LEU 29 H LEU 29 -3.424 -0.837 6.757 235 HA LEU 29 HA LEU 29 -5.911 -0.153 5.313 236 HB2 LEU 29 2HB LEU 29 -3.849 -2.300 4.703 237 HB3 LEU 29 3HB LEU 29 -5.208 -1.857 3.680 238 HG LEU 29 HG LEU 29 -2.721 -0.215 4.270 239 HD11 LEU 29 1HD1 LEU 29 -2.453 -1.967 2.588 240 HD12 LEU 29 2HD1 LEU 29 -2.334 -0.361 1.876 241 HD13 LEU 29 3HD1 LEU 29 -3.810 -1.308 1.668 242 HD21 LEU 29 3HD2 LEU 29 -5.209 0.674 2.776 243 HD22 LEU 29 1HD2 LEU 29 -3.672 1.544 2.810 244 HD23 LEU 29 2HD2 LEU 29 -4.598 1.337 4.294 245 H SER 30 H SER 30 -7.618 -1.622 5.081 246 HA SER 30 HA SER 30 -7.796 -3.926 6.899 247 HB2 SER 30 2HB SER 30 -9.787 -2.939 4.806 248 HB3 SER 30 3HB SER 30 -10.101 -4.152 6.054 249 HG SER 30 HG SER 30 -9.754 -1.367 6.299 250 H ALA 31 H ALA 31 -8.456 -6.063 5.929 251 HA ALA 31 HA ALA 31 -6.622 -7.019 4.048 252 HB1 ALA 31 3HB ALA 31 -7.675 -8.446 5.750 253 HB2 ALA 31 1HB ALA 31 -7.846 -9.139 4.142 254 HB3 ALA 31 2HB ALA 31 -9.220 -8.331 4.905 255 HA PRO 32 HA PRO 32 -10.202 -6.908 0.597 256 HB2 PRO 32 2HB PRO 32 -11.846 -4.604 1.643 257 HB3 PRO 32 3HB PRO 32 -12.372 -6.082 0.809 258 HG2 PRO 32 2HG PRO 32 -12.786 -5.833 3.416 259 HG3 PRO 32 3HG PRO 32 -12.250 -7.389 2.736 260 HD2 PRO 32 2HD PRO 32 -10.606 -5.308 4.176 261 HD3 PRO 32 3HD PRO 32 -10.601 -7.075 4.360 262 H GLU 33 H GLU 33 -9.407 -3.829 2.262 263 HA GLU 33 HA GLU 33 -9.138 -2.189 -0.035 264 HB2 GLU 33 2HB GLU 33 -7.834 -1.875 2.705 265 HB3 GLU 33 3HB GLU 33 -7.897 -0.621 1.463 266 HG2 GLU 33 2HG GLU 33 -10.392 -0.665 1.609 267 HG3 GLU 33 3HG GLU 33 -10.260 -1.831 2.929 268 H ARG 34 H ARG 34 -6.761 -4.075 1.799 269 HA ARG 34 HA ARG 34 -4.438 -3.191 0.424 270 HB2 ARG 34 2HB ARG 34 -4.325 -4.162 2.664 271 HB3 ARG 34 3HB ARG 34 -4.932 -5.705 2.062 272 HG2 ARG 34 2HG ARG 34 -2.897 -6.074 0.776 273 HG3 ARG 34 3HG ARG 34 -2.312 -4.452 1.159 274 HD2 ARG 34 2HD ARG 34 -2.724 -6.728 3.115 275 HD3 ARG 34 3HD ARG 34 -1.177 -6.104 2.529 276 HE ARG 34 HE ARG 34 -1.951 -3.916 3.598 277 HH11 ARG 34 1HH1 ARG 34 -2.756 -7.026 4.905 278 HH12 ARG 34 2HH1 ARG 34 -2.944 -6.407 6.510 279 HH21 ARG 34 1HH2 ARG 34 -2.218 -3.172 5.640 280 HH22 ARG 34 2HH2 ARG 34 -2.630 -4.259 6.921 281 H ALA 35 H ALA 35 -6.552 -6.032 0.016 282 HA ALA 35 HA ALA 35 -5.158 -7.307 -2.081 283 HB1 ALA 35 3HB ALA 35 -8.128 -7.378 -1.451 284 HB2 ALA 35 1HB ALA 35 -6.894 -8.419 -0.739 285 HB3 ALA 35 2HB ALA 35 -7.259 -8.537 -2.462 286 H HIS 36 H HIS 36 -7.764 -4.882 -2.130 287 HA HIS 36 HA HIS 36 -8.144 -4.677 -4.924 288 HB2 HIS 36 2HB HIS 36 -9.762 -3.796 -3.291 289 HB3 HIS 36 3HB HIS 36 -8.590 -2.616 -2.717 290 HD1 HIS 36 HD1 HIS 36 -10.664 -3.402 -5.792 291 HD2 HIS 36 HD2 HIS 36 -8.570 -0.237 -4.112 292 HE1 HIS 36 HE1 HIS 36 -11.210 -1.409 -7.204 293 HE2 HIS 36 HE2 HIS 36 -10.139 0.516 -6.005 294 H LEU 37 H LEU 37 -6.107 -2.761 -2.706 295 HA LEU 37 HA LEU 37 -4.964 -0.990 -4.603 296 HB2 LEU 37 2HB LEU 37 -5.034 -0.655 -2.121 297 HB3 LEU 37 3HB LEU 37 -3.859 -1.944 -1.931 298 HG LEU 37 HG LEU 37 -2.176 -0.558 -3.172 299 HD11 LEU 37 1HD1 LEU 37 -3.667 0.810 -4.535 300 HD12 LEU 37 2HD1 LEU 37 -2.587 1.826 -3.588 301 HD13 LEU 37 3HD1 LEU 37 -4.273 1.633 -3.096 302 HD21 LEU 37 3HD2 LEU 37 -3.389 0.787 -0.738 303 HD22 LEU 37 1HD2 LEU 37 -1.758 1.054 -1.363 304 HD23 LEU 37 2HD2 LEU 37 -2.211 -0.526 -0.737 305 H ALA 38 H ALA 38 -3.985 -4.155 -3.378 306 HA ALA 38 HA ALA 38 -1.424 -4.392 -4.500 307 HB1 ALA 38 3HB ALA 38 -2.249 -5.890 -2.742 308 HB2 ALA 38 1HB ALA 38 -1.672 -6.817 -4.129 309 HB3 ALA 38 2HB ALA 38 -3.406 -6.602 -3.866 310 H LYS 39 H LYS 39 -4.553 -5.653 -5.755 311 HA LYS 39 HA LYS 39 -3.461 -6.835 -8.081 312 HB2 LYS 39 2HB LYS 39 -5.783 -7.094 -8.855 313 HB3 LYS 39 3HB LYS 39 -5.594 -7.579 -7.177 314 HG2 LYS 39 2HG LYS 39 -6.623 -5.476 -6.425 315 HG3 LYS 39 3HG LYS 39 -6.767 -4.932 -8.099 316 HD2 LYS 39 2HD LYS 39 -8.161 -7.360 -6.896 317 HD3 LYS 39 3HD LYS 39 -8.916 -5.795 -7.216 318 HE2 LYS 39 2HE LYS 39 -8.426 -6.100 -9.646 319 HE3 LYS 39 3HE LYS 39 -7.763 -7.695 -9.291 320 HZ1 LYS 39 3HZ LYS 39 -10.552 -6.843 -8.771 321 HZ2 LYS 39 1HZ LYS 39 -9.911 -8.379 -8.481 322 HZ3 LYS 39 2HZ LYS 39 -10.039 -7.805 -10.064 323 H ASN 40 H ASN 40 -4.930 -3.631 -7.586 324 HA ASN 40 HA ASN 40 -4.943 -2.743 -10.272 325 HB2 ASN 40 2HB ASN 40 -4.791 -1.188 -7.664 326 HB3 ASN 40 3HB ASN 40 -5.009 -0.421 -9.234 327 HD21 ASN 40 1HD2 ASN 40 -6.796 -0.428 -6.939 328 HD22 ASN 40 2HD2 ASN 40 -8.289 -1.069 -7.509 329 H LEU 41 H LEU 41 -2.414 -2.607 -7.790 330 HA LEU 41 HA LEU 41 -0.520 -1.230 -9.589 331 HB2 LEU 41 2HB LEU 41 -0.238 -2.081 -6.685 332 HB3 LEU 41 3HB LEU 41 0.935 -1.125 -7.583 333 HG LEU 41 HG LEU 41 -1.896 -0.253 -6.863 334 HD11 LEU 41 1HD1 LEU 41 -0.425 -0.268 -4.921 335 HD12 LEU 41 2HD1 LEU 41 -0.843 1.379 -5.387 336 HD13 LEU 41 3HD1 LEU 41 0.752 0.729 -5.781 337 HD21 LEU 41 3HD2 LEU 41 -1.228 0.685 -9.026 338 HD22 LEU 41 1HD2 LEU 41 0.261 1.312 -8.314 339 HD23 LEU 41 2HD2 LEU 41 -1.306 1.936 -7.790 340 H LYS 42 H LYS 42 -1.484 -4.324 -9.289 341 HA LYS 42 HA LYS 42 -0.733 -6.379 -9.710 342 HB2 LYS 42 2HB LYS 42 1.543 -4.904 -11.073 343 HB3 LYS 42 3HB LYS 42 1.244 -6.632 -11.252 344 HG2 LYS 42 2HG LYS 42 -0.668 -4.406 -12.052 345 HG3 LYS 42 3HG LYS 42 0.337 -5.348 -13.156 346 HD2 LYS 42 2HD LYS 42 -0.871 -7.414 -12.519 347 HD3 LYS 42 3HD LYS 42 -1.852 -6.505 -11.368 348 HE2 LYS 42 2HE LYS 42 -2.827 -5.211 -13.224 349 HE3 LYS 42 3HE LYS 42 -1.840 -6.116 -14.375 350 HZ1 LYS 42 3HZ LYS 42 -2.972 -8.131 -13.706 351 HZ2 LYS 42 1HZ LYS 42 -4.087 -6.981 -14.246 352 HZ3 LYS 42 2HZ LYS 42 -3.907 -7.276 -12.588 353 H LEU 43 H LEU 43 0.315 -4.880 -7.265 354 HA LEU 43 HA LEU 43 2.566 -6.507 -6.379 355 HB2 LEU 43 2HB LEU 43 0.735 -4.610 -4.852 356 HB3 LEU 43 3HB LEU 43 2.141 -5.403 -4.158 357 HG LEU 43 HG LEU 43 2.205 -3.341 -6.396 358 HD11 LEU 43 1HD1 LEU 43 3.023 -3.049 -3.491 359 HD12 LEU 43 2HD1 LEU 43 1.597 -2.333 -4.247 360 HD13 LEU 43 3HD1 LEU 43 3.207 -1.828 -4.756 361 HD21 LEU 43 3HD2 LEU 43 4.038 -4.926 -6.647 362 HD22 LEU 43 1HD2 LEU 43 4.498 -4.713 -4.954 363 HD23 LEU 43 2HD2 LEU 43 4.654 -3.373 -6.093 364 H THR 44 H THR 44 2.146 -7.565 -4.069 365 HA THR 44 HA THR 44 -0.419 -9.065 -4.018 366 HB THR 44 HB THR 44 0.723 -10.770 -2.632 367 HG1 THR 44 HG1 THR 44 3.285 -9.869 -3.136 368 HG21 THR 44 3HG2 THR 44 0.739 -11.104 -5.082 369 HG22 THR 44 1HG2 THR 44 2.202 -11.758 -4.339 370 HG23 THR 44 2HG2 THR 44 2.260 -10.216 -5.194 371 H GLU 45 H GLU 45 -1.205 -9.591 -1.788 372 HA GLU 45 HA GLU 45 -1.394 -7.382 -0.043 373 HB2 GLU 45 2HB GLU 45 -1.940 -10.326 0.483 374 HB3 GLU 45 3HB GLU 45 -2.320 -9.046 1.633 375 HG2 GLU 45 2HG GLU 45 -3.808 -8.004 -0.082 376 HG3 GLU 45 3HG GLU 45 -3.499 -9.385 -1.139 377 H THR 46 H THR 46 1.040 -9.908 -0.222 378 HA THR 46 HA THR 46 2.300 -9.507 2.307 379 HB THR 46 HB THR 46 3.430 -10.521 -0.348 380 HG1 THR 46 HG1 THR 46 2.010 -12.018 0.345 381 HG21 THR 46 3HG2 THR 46 5.277 -9.730 1.109 382 HG22 THR 46 1HG2 THR 46 5.284 -11.493 0.963 383 HG23 THR 46 2HG2 THR 46 4.666 -10.728 2.428 384 H GLN 47 H GLN 47 3.049 -8.300 -0.965 385 HA GLN 47 HA GLN 47 5.216 -6.643 -0.370 386 HB2 GLN 47 2HB GLN 47 3.179 -6.542 -2.623 387 HB3 GLN 47 3HB GLN 47 4.629 -5.541 -2.599 388 HG2 GLN 47 2HG GLN 47 6.063 -7.488 -2.710 389 HG3 GLN 47 3HG GLN 47 4.692 -8.576 -2.503 390 HE21 GLN 47 1HE2 GLN 47 6.226 -6.353 -4.735 391 HE22 GLN 47 2HE2 GLN 47 5.495 -6.995 -6.155 392 H VAL 48 H VAL 48 1.792 -5.675 -0.826 393 HA VAL 48 HA VAL 48 2.120 -2.925 -0.299 394 HB VAL 48 HB VAL 48 -0.394 -4.634 0.016 395 HG11 VAL 48 1HG1 VAL 48 -0.147 -1.611 -0.263 396 HG12 VAL 48 2HG1 VAL 48 -0.673 -2.487 1.175 397 HG13 VAL 48 3HG1 VAL 48 -1.663 -2.520 -0.282 398 HG21 VAL 48 3HG2 VAL 48 0.548 -4.767 -2.258 399 HG22 VAL 48 1HG2 VAL 48 0.573 -3.004 -2.371 400 HG23 VAL 48 2HG2 VAL 48 -0.966 -3.864 -2.268 401 H LYS 49 H LYS 49 1.280 -5.631 1.905 402 HA LYS 49 HA LYS 49 0.767 -4.150 4.246 403 HB2 LYS 49 2HB LYS 49 0.267 -6.578 4.030 404 HB3 LYS 49 3HB LYS 49 1.988 -6.942 4.052 405 HG2 LYS 49 2HG LYS 49 2.164 -6.096 6.353 406 HG3 LYS 49 3HG LYS 49 0.466 -5.620 6.329 407 HD2 LYS 49 2HD LYS 49 0.698 -7.690 7.564 408 HD3 LYS 49 3HD LYS 49 -0.181 -8.004 6.067 409 HE2 LYS 49 2HE LYS 49 1.856 -8.942 5.050 410 HE3 LYS 49 3HE LYS 49 2.774 -8.564 6.512 411 HZ1 LYS 49 3HZ LYS 49 2.053 -10.902 6.371 412 HZ2 LYS 49 1HZ LYS 49 0.440 -10.398 6.429 413 HZ3 LYS 49 2HZ LYS 49 1.460 -10.117 7.748 414 H ILE 50 H ILE 50 3.823 -5.653 3.130 415 HA ILE 50 HA ILE 50 5.505 -4.776 5.199 416 HB ILE 50 HB ILE 50 6.167 -5.469 2.298 417 HG12 ILE 50 2HG1 ILE 50 6.466 -7.133 4.860 418 HG13 ILE 50 3HG1 ILE 50 5.166 -7.311 3.687 419 HG21 ILE 50 1HG2 ILE 50 7.988 -4.079 3.201 420 HG22 ILE 50 2HG2 ILE 50 8.536 -5.743 3.016 421 HG23 ILE 50 3HG2 ILE 50 8.120 -5.123 4.617 422 HD11 ILE 50 3HD1 ILE 50 6.828 -9.042 3.406 423 HD12 ILE 50 1HD1 ILE 50 8.094 -7.836 3.176 424 HD13 ILE 50 2HD1 ILE 50 6.797 -7.997 1.987 425 H TRP 51 H TRP 51 4.623 -3.165 2.119 426 HA TRP 51 HA TRP 51 6.401 -0.997 2.233 427 HB2 TRP 51 2HB TRP 51 4.972 -1.670 0.235 428 HB3 TRP 51 3HB TRP 51 3.604 -0.899 1.025 429 HD1 TRP 51 HD1 TRP 51 6.820 -0.074 -0.868 430 HE1 TRP 51 HE1 TRP 51 6.842 2.405 -1.491 431 HE3 TRP 51 HE3 TRP 51 2.784 1.481 1.838 432 HZ2 TRP 51 HZ2 TRP 51 5.371 4.731 -0.905 433 HZ3 TRP 51 HZ3 TRP 51 2.158 3.857 1.771 434 HH2 TRP 51 HH2 TRP 51 3.430 5.455 0.422 435 H PHE 52 H PHE 52 2.908 -0.951 3.136 436 HA PHE 52 HA PHE 52 2.877 1.570 4.390 437 HB2 PHE 52 2HB PHE 52 1.074 -0.857 4.648 438 HB3 PHE 52 3HB PHE 52 0.781 0.573 5.636 439 HD1 PHE 52 HD1 PHE 52 1.239 -0.453 2.045 440 HD2 PHE 52 HD2 PHE 52 -0.525 2.329 4.762 441 HE1 PHE 52 HE1 PHE 52 0.058 0.623 0.191 442 HE2 PHE 52 HE2 PHE 52 -1.700 3.400 2.896 443 HZ PHE 52 HZ PHE 52 -1.405 2.551 0.607 444 H GLN 53 H GLN 53 3.682 -1.575 5.731 445 HA GLN 53 HA GLN 53 3.826 -0.966 8.484 446 HB2 GLN 53 2HB GLN 53 3.831 -3.258 7.540 447 HB3 GLN 53 3HB GLN 53 5.412 -2.976 6.821 448 HG2 GLN 53 2HG GLN 53 6.327 -2.689 9.159 449 HG3 GLN 53 3HG GLN 53 4.746 -3.185 9.771 450 HE21 GLN 53 1HE2 GLN 53 7.595 -4.223 8.031 451 HE22 GLN 53 2HE2 GLN 53 7.310 -5.919 8.177 452 H ASN 54 H ASN 54 6.346 -0.942 5.947 453 HA ASN 54 HA ASN 54 8.518 -0.007 7.479 454 HB2 ASN 54 2HB ASN 54 7.987 0.216 4.496 455 HB3 ASN 54 3HB ASN 54 9.520 0.654 5.245 456 HD21 ASN 54 1HD2 ASN 54 8.949 -1.371 3.243 457 HD22 ASN 54 2HD2 ASN 54 9.506 -2.864 3.898 458 H ARG 55 H ARG 55 6.157 1.759 5.474 459 HA ARG 55 HA ARG 55 7.243 4.319 5.696 460 HB2 ARG 55 2HB ARG 55 4.594 3.194 4.906 461 HB3 ARG 55 3HB ARG 55 4.571 4.880 5.380 462 HG2 ARG 55 2HG ARG 55 4.778 4.668 2.975 463 HG3 ARG 55 3HG ARG 55 6.208 5.437 3.653 464 HD2 ARG 55 2HD ARG 55 6.127 2.479 2.972 465 HD3 ARG 55 3HD ARG 55 6.579 3.708 1.794 466 HE ARG 55 HE ARG 55 8.162 4.075 4.063 467 HH11 ARG 55 1HH1 ARG 55 7.769 1.740 1.535 468 HH12 ARG 55 2HH1 ARG 55 9.406 1.205 1.650 469 HH21 ARG 55 1HH2 ARG 55 10.227 3.363 4.200 470 HH22 ARG 55 2HH2 ARG 55 10.786 2.118 3.141 471 H ARG 56 H ARG 56 5.036 2.653 7.956 472 HA ARG 56 HA ARG 56 4.753 4.950 9.703 473 HB2 ARG 56 2HB ARG 56 4.084 2.010 10.141 474 HB3 ARG 56 3HB ARG 56 3.688 3.300 11.276 475 HG2 ARG 56 2HG ARG 56 2.257 4.366 9.576 476 HG3 ARG 56 3HG ARG 56 2.656 3.085 8.429 477 HD2 ARG 56 2HD ARG 56 1.182 2.738 11.058 478 HD3 ARG 56 3HD ARG 56 0.454 2.711 9.449 479 HE ARG 56 HE ARG 56 2.259 0.662 10.585 480 HH11 ARG 56 1HH1 ARG 56 0.018 1.549 8.093 481 HH12 ARG 56 2HH1 ARG 56 -0.163 -0.075 7.551 482 HH21 ARG 56 1HH2 ARG 56 2.003 -1.374 9.849 483 HH22 ARG 56 2HH2 ARG 56 0.942 -1.709 8.534 484 H TYR 57 H TYR 57 6.815 2.093 9.553 485 HA TYR 57 HA TYR 57 8.049 2.279 12.119 486 HB2 TYR 57 2HB TYR 57 7.951 0.206 10.715 487 HB3 TYR 57 3HB TYR 57 9.045 0.947 9.559 488 HD1 TYR 57 HD1 TYR 57 8.814 -0.365 13.059 489 HD2 TYR 57 HD2 TYR 57 11.429 0.854 9.906 490 HE1 TYR 57 HE1 TYR 57 10.733 -1.298 14.285 491 HE2 TYR 57 HE2 TYR 57 13.339 -0.069 11.123 492 HH TYR 57 HH TYR 57 13.951 -0.602 13.459 493 H LYS 58 H LYS 58 8.767 3.682 8.993 494 HA LYS 58 HA LYS 58 11.402 4.695 9.728 495 HB2 LYS 58 2HB LYS 58 9.816 4.891 7.143 496 HB3 LYS 58 3HB LYS 58 11.438 5.527 7.353 497 HG2 LYS 58 2HG LYS 58 10.792 2.581 7.691 498 HG3 LYS 58 3HG LYS 58 11.190 3.288 6.130 499 HD2 LYS 58 2HD LYS 58 13.220 2.349 6.895 500 HD3 LYS 58 3HD LYS 58 13.397 4.074 7.197 501 HE2 LYS 58 2HE LYS 58 12.916 3.710 9.583 502 HE3 LYS 58 3HE LYS 58 12.643 1.994 9.276 503 HZ1 LYS 58 3HZ LYS 58 14.832 2.411 10.167 504 HZ2 LYS 58 1HZ LYS 58 15.204 3.432 8.876 505 HZ3 LYS 58 2HZ LYS 58 14.942 1.785 8.607 506 H THR 59 H THR 59 8.207 5.773 10.011 507 HA THR 59 HA THR 59 9.070 8.608 10.311 508 HB THR 59 HB THR 59 6.618 9.181 10.326 509 HG1 THR 59 HG1 THR 59 5.706 6.931 9.148 510 HG21 THR 59 3HG2 THR 59 7.914 9.346 8.207 511 HG22 THR 59 1HG2 THR 59 6.225 8.903 7.918 512 HG23 THR 59 2HG2 THR 59 7.486 7.676 7.829 513 H LYS 60 H LYS 60 8.633 5.813 12.063 514 HA LYS 60 HA LYS 60 7.489 6.703 14.499 515 HB2 LYS 60 2HB LYS 60 7.779 4.309 13.931 516 HB3 LYS 60 3HB LYS 60 9.526 4.491 13.994 517 HG2 LYS 60 2HG LYS 60 8.674 3.382 16.015 518 HG3 LYS 60 3HG LYS 60 9.428 4.931 16.407 519 HD2 LYS 60 2HD LYS 60 7.141 5.980 16.499 520 HD3 LYS 60 3HD LYS 60 6.429 4.389 16.212 521 HE2 LYS 60 2HE LYS 60 7.372 3.569 18.321 522 HE3 LYS 60 3HE LYS 60 8.177 5.116 18.590 523 HZ1 LYS 60 3HZ LYS 60 6.149 4.970 19.867 524 HZ2 LYS 60 1HZ LYS 60 5.242 4.679 18.466 525 HZ3 LYS 60 2HZ LYS 60 6.000 6.171 18.690 526 H ARG 61 H ARG 61 10.675 7.069 13.128 527 HA ARG 61 HA ARG 61 12.081 8.207 15.322 528 HB2 ARG 61 2HB ARG 61 13.537 9.191 13.523 529 HB3 ARG 61 3HB ARG 61 13.254 7.467 13.304 530 HG2 ARG 61 2HG ARG 61 11.797 7.813 11.463 531 HG3 ARG 61 3HG ARG 61 11.552 9.512 11.857 532 HD2 ARG 61 2HD ARG 61 13.819 10.052 11.153 533 HD3 ARG 61 3HD ARG 61 14.178 8.344 10.899 534 HE ARG 61 HE ARG 61 13.011 8.384 8.916 535 HH11 ARG 61 1HH1 ARG 61 12.395 11.414 10.492 536 HH12 ARG 61 2HH1 ARG 61 11.799 12.145 9.049 537 HH21 ARG 61 1HH2 ARG 61 12.260 9.350 7.111 538 HH22 ARG 61 2HH2 ARG 61 11.721 10.992 7.148 539 H LYS 62 H LYS 62 12.942 10.724 14.475 540 HA LYS 62 HA LYS 62 10.980 12.634 15.080 541 HB2 LYS 62 2HB LYS 62 12.610 14.285 14.223 542 HB3 LYS 62 3HB LYS 62 13.377 13.079 15.246 543 HG2 LYS 62 2HG LYS 62 13.952 11.890 12.956 544 HG3 LYS 62 3HG LYS 62 13.646 13.486 12.264 545 HD2 LYS 62 2HD LYS 62 15.733 12.740 14.348 546 HD3 LYS 62 3HD LYS 62 16.022 13.263 12.689 547 HE2 LYS 62 2HE LYS 62 14.793 15.007 14.859 548 HE3 LYS 62 3HE LYS 62 16.489 15.038 14.381 549 HZ1 LYS 62 3HZ LYS 62 15.194 16.795 13.342 550 HZ2 LYS 62 1HZ LYS 62 14.207 15.652 12.585 551 HZ3 LYS 62 2HZ LYS 62 15.852 15.751 12.189 552 H GLN 63 H GLN 63 10.245 14.430 13.513 553 HA GLN 63 HA GLN 63 8.338 13.180 11.848 554 HB2 GLN 63 2HB GLN 63 9.033 16.133 12.097 555 HB3 GLN 63 3HB GLN 63 7.594 15.514 11.295 556 HG2 GLN 63 2HG GLN 63 8.269 15.327 14.250 557 HG3 GLN 63 3HG GLN 63 6.991 16.280 13.502 558 HE21 GLN 63 1HE2 GLN 63 7.954 13.085 14.513 559 HE22 GLN 63 2HE2 GLN 63 6.404 12.350 14.343 560 H LEU 64 H LEU 64 7.802 14.465 9.649 561 HA LEU 64 HA LEU 64 9.144 13.009 7.729 562 HB2 LEU 64 2HB LEU 64 7.368 15.448 7.431 563 HB3 LEU 64 3HB LEU 64 7.958 14.551 6.047 564 HG LEU 64 HG LEU 64 5.709 13.832 6.432 565 HD11 LEU 64 1HD1 LEU 64 7.531 11.661 7.487 566 HD12 LEU 64 2HD1 LEU 64 7.201 12.031 5.793 567 HD13 LEU 64 3HD1 LEU 64 5.909 11.431 6.827 568 HD21 LEU 64 3HD2 LEU 64 6.390 13.251 9.332 569 HD22 LEU 64 1HD2 LEU 64 4.853 12.901 8.536 570 HD23 LEU 64 2HD2 LEU 64 5.378 14.569 8.739 571 H SER 65 H SER 65 9.590 16.473 8.445 572 HA SER 65 HA SER 65 11.670 16.830 6.453 573 HB2 SER 65 2HB SER 65 10.105 18.683 7.037 574 HB3 SER 65 3HB SER 65 10.780 18.739 8.666 575 HG SER 65 HG SER 65 12.134 19.259 6.219 576 H SER 66 H SER 66 13.143 15.183 7.178 577 HA SER 66 HA SER 66 14.534 15.457 9.755 578 HB2 SER 66 2HB SER 66 15.612 13.331 9.128 579 HB3 SER 66 3HB SER 66 13.868 13.200 8.880 580 HG SER 66 HG SER 66 14.461 12.571 6.954 581 H GLU 67 H GLU 67 17.102 14.688 9.155 582 HA GLU 67 HA GLU 67 18.275 17.054 7.933 583 HB2 GLU 67 2HB GLU 67 19.466 14.696 9.435 584 HB3 GLU 67 3HB GLU 67 20.470 15.941 8.706 585 HG2 GLU 67 2HG GLU 67 20.219 16.381 11.071 586 HG3 GLU 67 3HG GLU 67 19.415 17.645 10.142 587 H LEU 68 H LEU 68 17.196 14.235 6.593 588 HA LEU 68 HA LEU 68 19.349 13.411 4.909 589 HB2 LEU 68 2HB LEU 68 16.354 12.984 4.598 590 HB3 LEU 68 3HB LEU 68 17.594 12.115 3.704 591 HG LEU 68 HG LEU 68 17.217 11.976 6.724 592 HD11 LEU 68 1HD1 LEU 68 15.328 10.939 5.576 593 HD12 LEU 68 2HD1 LEU 68 16.318 9.735 6.394 594 HD13 LEU 68 3HD1 LEU 68 16.432 9.925 4.641 595 HD21 LEU 68 3HD2 LEU 68 19.546 11.587 6.067 596 HD22 LEU 68 1HD2 LEU 68 19.036 10.349 4.916 597 HD23 LEU 68 2HD2 LEU 68 18.805 10.100 6.649 598 H GLY 69 H GLY 69 19.975 14.109 2.902 599 HA2 GLY 69 2HA GLY 69 19.056 16.668 1.923 600 HA3 GLY 69 3HA GLY 69 20.357 15.692 1.261 Start of MODEL 6 1 H1 MET 1 1H MET 1 18.818 1.952 14.645 2 H2 MET 1 2H MET 1 20.077 0.828 14.741 3 H3 MET 1 3H MET 1 19.713 1.565 13.268 4 HA MET 1 HA MET 1 20.354 3.722 14.116 5 HB2 MET 1 2HB MET 1 21.133 2.163 16.624 6 HB3 MET 1 3HB MET 1 21.489 3.870 16.341 7 HG2 MET 1 2HG MET 1 18.724 2.650 16.555 8 HG3 MET 1 3HG MET 1 19.539 3.603 17.799 9 HE1 MET 1 3HE MET 1 16.652 5.985 16.438 10 HE2 MET 1 1HE MET 1 17.244 5.096 17.840 11 HE3 MET 1 2HE MET 1 16.548 4.226 16.471 12 H GLY 2 H GLY 2 22.698 4.444 14.278 13 HA2 GLY 2 2HA GLY 2 25.004 4.132 14.033 14 HA3 GLY 2 3HA GLY 2 24.756 2.412 13.808 15 H HIS 3 H HIS 3 23.308 2.035 11.662 16 HA HIS 3 HA HIS 3 24.250 3.694 9.399 17 HB2 HIS 3 2HB HIS 3 24.615 0.659 9.571 18 HB3 HIS 3 3HB HIS 3 24.912 1.624 8.129 19 HD1 HIS 3 HD1 HIS 3 26.363 0.833 11.509 20 HD2 HIS 3 HD2 HIS 3 27.378 2.973 8.096 21 HE1 HIS 3 HE1 HIS 3 28.782 1.428 11.775 22 HE2 HIS 3 HE2 HIS 3 29.396 2.618 9.659 23 H HIS 4 H HIS 4 22.205 4.368 8.674 24 HA HIS 4 HA HIS 4 19.941 2.562 8.686 25 HB2 HIS 4 2HB HIS 4 18.638 4.427 7.685 26 HB3 HIS 4 3HB HIS 4 19.476 4.893 9.151 27 HD1 HIS 4 HD1 HIS 4 21.384 6.670 8.901 28 HD2 HIS 4 HD2 HIS 4 19.363 5.866 5.370 29 HE1 HIS 4 HE1 HIS 4 21.997 8.523 7.342 30 HE2 HIS 4 HE2 HIS 4 20.642 8.097 5.276 31 H HIS 5 H HIS 5 20.720 0.834 7.394 32 HA HIS 5 HA HIS 5 21.449 1.136 4.653 33 HB2 HIS 5 2HB HIS 5 21.093 -1.377 4.499 34 HB3 HIS 5 3HB HIS 5 22.256 -0.839 5.700 35 HD1 HIS 5 HD1 HIS 5 18.619 -1.982 5.560 36 HD2 HIS 5 HD2 HIS 5 21.849 -1.929 8.163 37 HE1 HIS 5 HE1 HIS 5 17.880 -3.270 7.567 38 HE2 HIS 5 HE2 HIS 5 19.781 -3.078 9.192 39 H HIS 6 H HIS 6 20.150 1.907 3.162 40 HA HIS 6 HA HIS 6 17.400 2.280 3.332 41 HB2 HIS 6 2HB HIS 6 17.516 2.912 0.912 42 HB3 HIS 6 3HB HIS 6 18.770 3.669 1.883 43 HD1 HIS 6 HD1 HIS 6 18.276 1.141 -0.840 44 HD2 HIS 6 HD2 HIS 6 21.415 2.915 1.210 45 HE1 HIS 6 HE1 HIS 6 20.335 0.539 -2.122 46 HE2 HIS 6 HE2 HIS 6 22.179 1.803 -0.982 47 H HIS 7 H HIS 7 15.707 0.923 3.125 48 HA HIS 7 HA HIS 7 15.972 -1.788 2.268 49 HB2 HIS 7 2HB HIS 7 14.314 -1.093 3.998 50 HB3 HIS 7 3HB HIS 7 13.415 -0.190 2.779 51 HD1 HIS 7 HD1 HIS 7 14.673 -3.777 3.134 52 HD2 HIS 7 HD2 HIS 7 11.324 -1.691 1.837 53 HE1 HIS 7 HE1 HIS 7 13.039 -5.519 2.405 54 HE2 HIS 7 HE2 HIS 7 10.957 -4.243 1.862 55 H HIS 8 H HIS 8 16.431 -2.154 0.169 56 HA HIS 8 HA HIS 8 15.059 -0.659 -1.967 57 HB2 HIS 8 2HB HIS 8 17.562 -0.893 -2.017 58 HB3 HIS 8 3HB HIS 8 17.375 -2.638 -2.193 59 HD1 HIS 8 HD1 HIS 8 16.889 -3.507 -4.548 60 HD2 HIS 8 HD2 HIS 8 16.698 0.633 -4.309 61 HE1 HIS 8 HE1 HIS 8 16.657 -2.705 -6.911 62 HE2 HIS 8 HE2 HIS 8 16.426 -0.212 -6.723 63 H SER 9 H SER 9 13.360 -1.514 -2.979 64 HA SER 9 HA SER 9 13.198 -4.397 -3.540 65 HB2 SER 9 2HB SER 9 10.857 -4.589 -2.785 66 HB3 SER 9 3HB SER 9 11.878 -4.099 -1.437 67 HG SER 9 HG SER 9 11.142 -1.852 -2.281 68 H HIS 10 H HIS 10 12.033 -4.875 -5.427 69 HA HIS 10 HA HIS 10 12.295 -2.917 -7.451 70 HB2 HIS 10 2HB HIS 10 12.617 -5.389 -7.766 71 HB3 HIS 10 3HB HIS 10 10.877 -5.607 -7.636 72 HD1 HIS 10 HD1 HIS 10 9.432 -4.853 -9.670 73 HD2 HIS 10 HD2 HIS 10 13.519 -4.396 -10.251 74 HE1 HIS 10 HE1 HIS 10 9.720 -4.429 -12.123 75 HE2 HIS 10 HE2 HIS 10 12.191 -4.138 -12.446 76 H MET 11 H MET 11 10.957 -1.163 -7.108 77 HA MET 11 HA MET 11 8.108 -1.482 -7.785 78 HB2 MET 11 2HB MET 11 9.101 0.192 -5.432 79 HB3 MET 11 3HB MET 11 7.495 0.333 -6.115 80 HG2 MET 11 2HG MET 11 7.089 -2.063 -5.509 81 HG3 MET 11 3HG MET 11 8.653 -2.072 -4.688 82 HE1 MET 11 3HE MET 11 7.033 -2.979 -2.579 83 HE2 MET 11 1HE MET 11 5.550 -2.641 -3.477 84 HE3 MET 11 2HE MET 11 5.779 -1.966 -1.864 85 H SER 12 H SER 12 7.311 0.116 -9.080 86 HA SER 12 HA SER 12 9.119 1.964 -10.387 87 HB2 SER 12 2HB SER 12 7.272 0.904 -11.656 88 HB3 SER 12 3HB SER 12 6.086 1.674 -10.603 89 HG SER 12 HG SER 12 7.057 2.630 -12.813 90 H HIS 13 H HIS 13 8.869 4.308 -10.378 91 HA HIS 13 HA HIS 13 8.609 5.439 -7.808 92 HB2 HIS 13 2HB HIS 13 10.012 6.391 -9.688 93 HB3 HIS 13 3HB HIS 13 8.534 6.966 -10.450 94 HD1 HIS 13 HD1 HIS 13 10.846 7.648 -7.589 95 HD2 HIS 13 HD2 HIS 13 7.349 9.232 -9.179 96 HE1 HIS 13 HE1 HIS 13 10.514 9.843 -6.430 97 HE2 HIS 13 HE2 HIS 13 8.505 10.853 -7.535 98 H THR 14 H THR 14 6.393 5.450 -10.613 99 HA THR 14 HA THR 14 4.340 7.062 -9.511 100 HB THR 14 HB THR 14 3.971 4.850 -11.588 101 HG1 THR 14 HG1 THR 14 4.644 7.586 -12.033 102 HG21 THR 14 3HG2 THR 14 2.121 6.260 -12.427 103 HG22 THR 14 1HG2 THR 14 2.416 7.430 -11.142 104 HG23 THR 14 2HG2 THR 14 1.840 5.808 -10.743 105 H GLN 15 H GLN 15 4.962 3.564 -9.422 106 HA GLN 15 HA GLN 15 2.590 2.640 -8.229 107 HB2 GLN 15 2HB GLN 15 4.136 1.078 -9.226 108 HB3 GLN 15 3HB GLN 15 5.442 1.582 -8.159 109 HG2 GLN 15 2HG GLN 15 4.436 0.510 -6.264 110 HG3 GLN 15 3HG GLN 15 2.925 0.226 -7.141 111 HE21 GLN 15 1HE2 GLN 15 2.888 -1.434 -8.727 112 HE22 GLN 15 2HE2 GLN 15 4.073 -2.685 -8.740 113 H VAL 16 H VAL 16 5.674 3.647 -6.721 114 HA VAL 16 HA VAL 16 4.897 3.366 -4.030 115 HB VAL 16 HB VAL 16 6.942 5.346 -5.153 116 HG11 VAL 16 1HG1 VAL 16 6.351 5.905 -2.831 117 HG12 VAL 16 2HG1 VAL 16 7.992 5.265 -2.901 118 HG13 VAL 16 3HG1 VAL 16 6.671 4.246 -2.319 119 HG21 VAL 16 3HG2 VAL 16 7.380 2.492 -4.167 120 HG22 VAL 16 1HG2 VAL 16 8.644 3.610 -4.696 121 HG23 VAL 16 2HG2 VAL 16 7.442 3.026 -5.846 122 H ILE 17 H ILE 17 4.538 6.176 -6.266 123 HA ILE 17 HA ILE 17 3.506 8.070 -4.447 124 HB ILE 17 HB ILE 17 2.808 7.773 -7.410 125 HG12 ILE 17 2HG1 ILE 17 4.865 9.612 -6.089 126 HG13 ILE 17 3HG1 ILE 17 5.248 8.132 -6.957 127 HG21 ILE 17 1HG2 ILE 17 2.106 10.159 -7.345 128 HG22 ILE 17 2HG2 ILE 17 2.375 10.190 -5.601 129 HG23 ILE 17 3HG2 ILE 17 1.113 9.161 -6.278 130 HD11 ILE 17 3HD1 ILE 17 5.666 10.084 -8.322 131 HD12 ILE 17 1HD1 ILE 17 3.988 10.601 -8.153 132 HD13 ILE 17 2HD1 ILE 17 4.375 9.112 -9.022 133 H GLU 18 H GLU 18 1.779 5.620 -6.417 134 HA GLU 18 HA GLU 18 -0.870 6.255 -5.683 135 HB2 GLU 18 2HB GLU 18 0.314 3.575 -6.524 136 HB3 GLU 18 3HB GLU 18 -1.409 3.931 -6.471 137 HG2 GLU 18 2HG GLU 18 0.530 5.482 -8.215 138 HG3 GLU 18 3HG GLU 18 -0.273 4.008 -8.755 139 H LEU 19 H LEU 19 1.422 3.915 -4.305 140 HA LEU 19 HA LEU 19 -0.096 2.916 -2.162 141 HB2 LEU 19 2HB LEU 19 2.891 3.301 -2.545 142 HB3 LEU 19 3HB LEU 19 2.230 2.497 -1.136 143 HG LEU 19 HG LEU 19 1.762 1.499 -3.966 144 HD11 LEU 19 1HD1 LEU 19 4.171 1.472 -3.517 145 HD12 LEU 19 2HD1 LEU 19 3.518 -0.162 -3.577 146 HD13 LEU 19 3HD1 LEU 19 3.898 0.578 -2.019 147 HD21 LEU 19 3HD2 LEU 19 1.144 -0.610 -2.858 148 HD22 LEU 19 1HD2 LEU 19 0.113 0.714 -2.321 149 HD23 LEU 19 2HD2 LEU 19 1.408 0.127 -1.274 150 H GLU 20 H GLU 20 1.985 5.836 -2.367 151 HA GLU 20 HA GLU 20 1.847 6.608 0.369 152 HB2 GLU 20 2HB GLU 20 2.597 8.149 -2.139 153 HB3 GLU 20 3HB GLU 20 2.677 8.866 -0.532 154 HG2 GLU 20 2HG GLU 20 4.353 7.214 0.153 155 HG3 GLU 20 3HG GLU 20 4.234 6.413 -1.411 156 H ARG 21 H ARG 21 -0.067 7.476 -2.470 157 HA ARG 21 HA ARG 21 -1.674 9.498 -1.394 158 HB2 ARG 21 2HB ARG 21 -2.228 7.427 -3.553 159 HB3 ARG 21 3HB ARG 21 -3.354 8.730 -3.177 160 HG2 ARG 21 2HG ARG 21 -1.726 10.408 -3.844 161 HG3 ARG 21 3HG ARG 21 -0.484 9.175 -4.073 162 HD2 ARG 21 2HD ARG 21 -1.730 8.211 -5.944 163 HD3 ARG 21 3HD ARG 21 -3.068 9.336 -5.670 164 HE ARG 21 HE ARG 21 -0.685 10.782 -6.097 165 HH11 ARG 21 1HH1 ARG 21 -2.856 8.812 -7.940 166 HH12 ARG 21 2HH1 ARG 21 -2.607 9.715 -9.391 167 HH21 ARG 21 1HH2 ARG 21 -0.382 11.919 -7.967 168 HH22 ARG 21 2HH2 ARG 21 -1.214 11.453 -9.408 169 H LYS 22 H LYS 22 -1.979 5.965 -1.282 170 HA LYS 22 HA LYS 22 -4.465 5.886 0.146 171 HB2 LYS 22 2HB LYS 22 -3.587 4.007 -1.263 172 HB3 LYS 22 3HB LYS 22 -2.306 3.749 -0.087 173 HG2 LYS 22 2HG LYS 22 -3.960 2.105 0.376 174 HG3 LYS 22 3HG LYS 22 -4.113 3.315 1.649 175 HD2 LYS 22 2HD LYS 22 -6.334 2.697 0.933 176 HD3 LYS 22 3HD LYS 22 -6.028 4.340 0.366 177 HE2 LYS 22 2HE LYS 22 -5.538 3.483 -1.891 178 HE3 LYS 22 3HE LYS 22 -5.769 1.827 -1.321 179 HZ1 LYS 22 3HZ LYS 22 -7.833 3.953 -1.424 180 HZ2 LYS 22 1HZ LYS 22 -8.064 2.401 -0.792 181 HZ3 LYS 22 2HZ LYS 22 -7.724 2.599 -2.433 182 H PHE 23 H PHE 23 -1.038 5.622 1.083 183 HA PHE 23 HA PHE 23 -1.300 4.983 3.802 184 HB2 PHE 23 2HB PHE 23 0.790 4.720 2.489 185 HB3 PHE 23 3HB PHE 23 0.948 6.466 2.371 186 HD1 PHE 23 HD2 PHE 23 0.934 3.641 4.831 187 HD2 PHE 23 HD1 PHE 23 2.134 7.678 4.079 188 HE1 PHE 23 HE2 PHE 23 2.270 3.632 6.889 189 HE2 PHE 23 HE1 PHE 23 3.470 7.660 6.137 190 HZ PHE 23 HZ PHE 23 3.541 5.641 7.548 191 H SER 24 H SER 24 -1.181 8.119 2.170 192 HA SER 24 HA SER 24 -1.040 9.849 4.354 193 HB2 SER 24 2HB SER 24 -0.658 10.536 1.999 194 HB3 SER 24 3HB SER 24 -2.376 10.334 1.655 195 HG SER 24 HG SER 24 -1.086 12.251 3.265 196 H HIS 25 H HIS 25 -3.887 8.321 2.826 197 HA HIS 25 HA HIS 25 -5.772 9.832 4.459 198 HB2 HIS 25 2HB HIS 25 -6.139 7.723 2.293 199 HB3 HIS 25 3HB HIS 25 -7.487 8.428 3.182 200 HD1 HIS 25 HD1 HIS 25 -8.567 10.271 1.899 201 HD2 HIS 25 HD2 HIS 25 -4.503 10.057 1.093 202 HE1 HIS 25 HE1 HIS 25 -8.110 12.079 0.231 203 HE2 HIS 25 HE2 HIS 25 -5.669 11.886 -0.286 204 H GLN 26 H GLN 26 -4.414 6.564 4.355 205 HA GLN 26 HA GLN 26 -5.325 6.032 7.061 206 HB2 GLN 26 2HB GLN 26 -6.453 3.926 6.575 207 HB3 GLN 26 3HB GLN 26 -7.221 5.225 5.672 208 HG2 GLN 26 2HG GLN 26 -5.884 4.470 3.648 209 HG3 GLN 26 3HG GLN 26 -5.378 3.070 4.597 210 HE21 GLN 26 1HE2 GLN 26 -7.033 1.552 5.241 211 HE22 GLN 26 2HE2 GLN 26 -8.491 1.411 4.330 212 H LYS 27 H LYS 27 -3.863 4.888 8.174 213 HA LYS 27 HA LYS 27 -1.353 4.077 6.922 214 HB2 LYS 27 2HB LYS 27 -2.213 4.048 9.845 215 HB3 LYS 27 3HB LYS 27 -0.562 3.844 9.256 216 HG2 LYS 27 2HG LYS 27 -2.250 6.361 8.952 217 HG3 LYS 27 3HG LYS 27 -0.966 6.117 10.143 218 HD2 LYS 27 2HD LYS 27 0.703 5.927 8.351 219 HD3 LYS 27 3HD LYS 27 -0.560 6.054 7.124 220 HE2 LYS 27 2HE LYS 27 0.169 8.229 9.111 221 HE3 LYS 27 3HE LYS 27 0.675 8.174 7.423 222 HZ1 LYS 27 3HZ LYS 27 -1.671 8.264 6.785 223 HZ2 LYS 27 1HZ LYS 27 -1.209 9.612 7.693 224 HZ3 LYS 27 2HZ LYS 27 -2.115 8.384 8.413 225 H TYR 28 H TYR 28 -4.228 2.539 8.064 226 HA TYR 28 HA TYR 28 -3.028 -0.164 7.764 227 HB2 TYR 28 2HB TYR 28 -5.259 0.699 9.663 228 HB3 TYR 28 3HB TYR 28 -4.774 -0.974 9.390 229 HD1 TYR 28 HD2 TYR 28 -2.540 -1.780 10.185 230 HD2 TYR 28 HD1 TYR 28 -3.922 2.167 11.081 231 HE1 TYR 28 HE2 TYR 28 -0.847 -1.583 11.949 232 HE2 TYR 28 HE1 TYR 28 -2.230 2.361 12.838 233 HH TYR 28 HH TYR 28 -0.864 0.973 14.243 234 H LEU 29 H LEU 29 -3.890 -1.357 6.195 235 HA LEU 29 HA LEU 29 -6.464 -0.628 4.942 236 HB2 LEU 29 2HB LEU 29 -4.173 -2.430 4.068 237 HB3 LEU 29 3HB LEU 29 -5.698 -2.345 3.195 238 HG LEU 29 HG LEU 29 -3.825 0.020 3.621 239 HD11 LEU 29 1HD1 LEU 29 -2.824 -1.675 2.145 240 HD12 LEU 29 2HD1 LEU 29 -3.225 -0.193 1.284 241 HD13 LEU 29 3HD1 LEU 29 -4.255 -1.617 1.109 242 HD21 LEU 29 3HD2 LEU 29 -6.320 -0.246 1.907 243 HD22 LEU 29 1HD2 LEU 29 -5.244 1.151 1.969 244 HD23 LEU 29 2HD2 LEU 29 -6.168 0.697 3.393 245 H SER 30 H SER 30 -8.251 -1.892 5.123 246 HA SER 30 HA SER 30 -8.326 -4.343 6.662 247 HB2 SER 30 2HB SER 30 -10.427 -3.150 4.792 248 HB3 SER 30 3HB SER 30 -10.704 -4.429 5.983 249 HG SER 30 HG SER 30 -10.344 -1.682 6.342 250 H ALA 31 H ALA 31 -9.131 -6.437 5.649 251 HA ALA 31 HA ALA 31 -7.340 -7.367 3.744 252 HB1 ALA 31 3HB ALA 31 -8.490 -8.816 5.364 253 HB2 ALA 31 1HB ALA 31 -8.610 -9.454 3.729 254 HB3 ALA 31 2HB ALA 31 -9.997 -8.643 4.462 255 HA PRO 32 HA PRO 32 -10.777 -6.897 0.175 256 HB2 PRO 32 2HB PRO 32 -12.261 -4.529 1.318 257 HB3 PRO 32 3HB PRO 32 -12.874 -5.886 0.345 258 HG2 PRO 32 2HG PRO 32 -13.389 -5.799 2.945 259 HG3 PRO 32 3HG PRO 32 -12.958 -7.342 2.166 260 HD2 PRO 32 2HD PRO 32 -11.225 -5.542 3.851 261 HD3 PRO 32 3HD PRO 32 -11.360 -7.315 3.858 262 H GLU 33 H GLU 33 -9.833 -3.965 2.046 263 HA GLU 33 HA GLU 33 -9.501 -2.246 -0.206 264 HB2 GLU 33 2HB GLU 33 -8.284 -1.942 2.574 265 HB3 GLU 33 3HB GLU 33 -8.536 -0.657 1.389 266 HG2 GLU 33 2HG GLU 33 -10.996 -1.015 1.588 267 HG3 GLU 33 3HG GLU 33 -10.698 -2.225 2.834 268 H ARG 34 H ARG 34 -7.269 -4.226 1.663 269 HA ARG 34 HA ARG 34 -4.827 -3.259 0.581 270 HB2 ARG 34 2HB ARG 34 -5.121 -4.405 2.782 271 HB3 ARG 34 3HB ARG 34 -5.430 -5.914 1.929 272 HG2 ARG 34 2HG ARG 34 -3.124 -5.819 0.992 273 HG3 ARG 34 3HG ARG 34 -2.834 -4.336 1.913 274 HD2 ARG 34 2HD ARG 34 -1.948 -6.391 3.042 275 HD3 ARG 34 3HD ARG 34 -3.139 -5.515 4.017 276 HE ARG 34 HE ARG 34 -4.134 -7.696 2.354 277 HH11 ARG 34 1HH1 ARG 34 -3.192 -6.753 5.550 278 HH12 ARG 34 2HH1 ARG 34 -4.079 -8.039 6.286 279 HH21 ARG 34 1HH2 ARG 34 -5.251 -9.291 3.288 280 HH22 ARG 34 2HH2 ARG 34 -5.228 -9.484 5.009 281 H ALA 35 H ALA 35 -6.866 -6.091 -0.151 282 HA ALA 35 HA ALA 35 -5.382 -7.146 -2.324 283 HB1 ALA 35 3HB ALA 35 -8.366 -7.342 -1.771 284 HB2 ALA 35 1HB ALA 35 -7.123 -8.423 -1.138 285 HB3 ALA 35 2HB ALA 35 -7.447 -8.375 -2.872 286 H HIS 36 H HIS 36 -7.917 -4.680 -2.136 287 HA HIS 36 HA HIS 36 -8.431 -4.327 -4.902 288 HB2 HIS 36 2HB HIS 36 -9.956 -3.590 -3.066 289 HB3 HIS 36 3HB HIS 36 -8.803 -2.345 -2.609 290 HD1 HIS 36 HD1 HIS 36 -11.472 -3.128 -5.091 291 HD2 HIS 36 HD2 HIS 36 -8.743 -0.083 -4.362 292 HE1 HIS 36 HE1 HIS 36 -12.241 -1.187 -6.471 293 HE2 HIS 36 HE2 HIS 36 -10.674 0.685 -5.885 294 H LEU 37 H LEU 37 -6.147 -2.722 -2.676 295 HA LEU 37 HA LEU 37 -5.149 -0.824 -4.602 296 HB2 LEU 37 2HB LEU 37 -5.063 -0.384 -2.172 297 HB3 LEU 37 3HB LEU 37 -3.991 -1.757 -1.945 298 HG LEU 37 HG LEU 37 -2.217 -0.599 -3.260 299 HD11 LEU 37 1HD1 LEU 37 -4.125 1.756 -3.394 300 HD12 LEU 37 2HD1 LEU 37 -3.600 0.752 -4.749 301 HD13 LEU 37 3HD1 LEU 37 -2.431 1.759 -3.900 302 HD21 LEU 37 3HD2 LEU 37 -3.272 1.077 -0.959 303 HD22 LEU 37 1HD2 LEU 37 -1.633 1.128 -1.614 304 HD23 LEU 37 2HD2 LEU 37 -2.221 -0.335 -0.831 305 H ALA 38 H ALA 38 -4.037 -3.957 -3.341 306 HA ALA 38 HA ALA 38 -1.521 -4.120 -4.549 307 HB1 ALA 38 3HB ALA 38 -2.260 -5.623 -2.756 308 HB2 ALA 38 1HB ALA 38 -1.660 -6.542 -4.140 309 HB3 ALA 38 2HB ALA 38 -3.399 -6.402 -3.856 310 H LYS 39 H LYS 39 -4.696 -5.253 -5.833 311 HA LYS 39 HA LYS 39 -3.680 -6.385 -8.229 312 HB2 LYS 39 2HB LYS 39 -5.986 -6.444 -9.027 313 HB3 LYS 39 3HB LYS 39 -5.900 -6.958 -7.347 314 HG2 LYS 39 2HG LYS 39 -6.782 -4.829 -6.580 315 HG3 LYS 39 3HG LYS 39 -6.724 -4.169 -8.216 316 HD2 LYS 39 2HD LYS 39 -8.486 -6.487 -7.319 317 HD3 LYS 39 3HD LYS 39 -9.024 -4.817 -7.525 318 HE2 LYS 39 2HE LYS 39 -8.377 -4.958 -9.942 319 HE3 LYS 39 3HE LYS 39 -7.976 -6.661 -9.703 320 HZ1 LYS 39 3HZ LYS 39 -10.206 -6.291 -10.629 321 HZ2 LYS 39 1HZ LYS 39 -10.657 -5.489 -9.212 322 HZ3 LYS 39 2HZ LYS 39 -10.239 -7.126 -9.161 323 H ASN 40 H ASN 40 -4.740 -3.082 -7.499 324 HA ASN 40 HA ASN 40 -4.706 -1.978 -10.091 325 HB2 ASN 40 2HB ASN 40 -4.004 -0.610 -7.457 326 HB3 ASN 40 3HB ASN 40 -4.342 0.234 -8.967 327 HD21 ASN 40 1HD2 ASN 40 -5.729 0.530 -6.478 328 HD22 ASN 40 2HD2 ASN 40 -7.365 0.065 -6.743 329 H LEU 41 H LEU 41 -2.068 -2.583 -7.823 330 HA LEU 41 HA LEU 41 -0.061 -1.472 -9.721 331 HB2 LEU 41 2HB LEU 41 0.162 -1.995 -6.732 332 HB3 LEU 41 3HB LEU 41 1.384 -1.223 -7.737 333 HG LEU 41 HG LEU 41 -1.388 -0.076 -7.165 334 HD11 LEU 41 1HD1 LEU 41 1.291 0.793 -6.051 335 HD12 LEU 41 2HD1 LEU 41 0.015 -0.045 -5.162 336 HD13 LEU 41 3HD1 LEU 41 -0.266 1.581 -5.775 337 HD21 LEU 41 3HD2 LEU 41 -0.553 0.614 -9.370 338 HD22 LEU 41 1HD2 LEU 41 0.954 1.182 -8.640 339 HD23 LEU 41 2HD2 LEU 41 -0.578 1.969 -8.248 340 H LYS 42 H LYS 42 -1.367 -4.346 -9.340 341 HA LYS 42 HA LYS 42 -0.847 -6.514 -9.522 342 HB2 LYS 42 2HB LYS 42 1.265 -5.129 -11.135 343 HB3 LYS 42 3HB LYS 42 1.474 -6.854 -10.878 344 HG2 LYS 42 2HG LYS 42 0.326 -6.334 -13.002 345 HG3 LYS 42 3HG LYS 42 -0.631 -7.353 -11.934 346 HD2 LYS 42 2HD LYS 42 -1.928 -5.305 -11.245 347 HD3 LYS 42 3HD LYS 42 -1.022 -4.375 -12.441 348 HE2 LYS 42 2HE LYS 42 -1.960 -5.716 -14.247 349 HE3 LYS 42 3HE LYS 42 -2.753 -6.788 -13.092 350 HZ1 LYS 42 3HZ LYS 42 -3.371 -3.919 -13.528 351 HZ2 LYS 42 1HZ LYS 42 -4.090 -4.890 -12.345 352 HZ3 LYS 42 2HZ LYS 42 -4.322 -5.234 -13.982 353 H LEU 43 H LEU 43 0.348 -5.030 -7.128 354 HA LEU 43 HA LEU 43 2.554 -6.700 -6.242 355 HB2 LEU 43 2HB LEU 43 0.790 -4.713 -4.746 356 HB3 LEU 43 3HB LEU 43 2.209 -5.491 -4.058 357 HG LEU 43 HG LEU 43 2.260 -3.581 -6.433 358 HD11 LEU 43 1HD1 LEU 43 3.255 -1.939 -4.903 359 HD12 LEU 43 2HD1 LEU 43 3.014 -3.042 -3.545 360 HD13 LEU 43 3HD1 LEU 43 1.622 -2.384 -4.407 361 HD21 LEU 43 3HD2 LEU 43 4.109 -5.180 -6.518 362 HD22 LEU 43 1HD2 LEU 43 4.552 -4.803 -4.849 363 HD23 LEU 43 2HD2 LEU 43 4.706 -3.575 -6.111 364 H THR 44 H THR 44 2.252 -7.777 -3.984 365 HA THR 44 HA THR 44 -0.329 -9.228 -3.795 366 HB THR 44 HB THR 44 0.787 -10.809 -2.287 367 HG1 THR 44 HG1 THR 44 3.370 -9.967 -2.644 368 HG21 THR 44 3HG2 THR 44 0.976 -11.302 -4.692 369 HG22 THR 44 1HG2 THR 44 2.418 -11.848 -3.829 370 HG23 THR 44 2HG2 THR 44 2.466 -10.362 -4.779 371 H GLU 45 H GLU 45 -1.319 -9.375 -1.703 372 HA GLU 45 HA GLU 45 -1.670 -7.037 -0.273 373 HB2 GLU 45 2HB GLU 45 -2.108 -9.902 0.637 374 HB3 GLU 45 3HB GLU 45 -2.695 -8.496 1.523 375 HG2 GLU 45 2HG GLU 45 -3.977 -7.834 -0.563 376 HG3 GLU 45 3HG GLU 45 -3.528 -9.398 -1.249 377 H THR 46 H THR 46 0.614 -9.678 0.508 378 HA THR 46 HA THR 46 1.518 -8.651 2.992 379 HB THR 46 HB THR 46 3.065 -10.460 1.075 380 HG1 THR 46 HG1 THR 46 1.772 -11.999 1.738 381 HG21 THR 46 3HG2 THR 46 4.493 -9.516 2.883 382 HG22 THR 46 1HG2 THR 46 4.229 -11.251 3.115 383 HG23 THR 46 2HG2 THR 46 3.337 -10.082 4.087 384 H GLN 47 H GLN 47 2.807 -8.216 -0.335 385 HA GLN 47 HA GLN 47 5.066 -6.639 0.220 386 HB2 GLN 47 2HB GLN 47 3.199 -6.654 -2.185 387 HB3 GLN 47 3HB GLN 47 4.660 -5.668 -2.135 388 HG2 GLN 47 2HG GLN 47 6.057 -7.646 -1.971 389 HG3 GLN 47 3HG GLN 47 4.636 -8.688 -1.858 390 HE21 GLN 47 1HE2 GLN 47 6.452 -6.584 -3.997 391 HE22 GLN 47 2HE2 GLN 47 5.817 -7.229 -5.457 392 H VAL 48 H VAL 48 1.735 -5.598 -0.505 393 HA VAL 48 HA VAL 48 2.060 -2.824 -0.225 394 HB VAL 48 HB VAL 48 -0.427 -4.533 0.263 395 HG11 VAL 48 1HG1 VAL 48 -0.740 -2.320 1.282 396 HG12 VAL 48 2HG1 VAL 48 -1.751 -2.480 -0.153 397 HG13 VAL 48 3HG1 VAL 48 -0.262 -1.532 -0.223 398 HG21 VAL 48 3HG2 VAL 48 -1.036 -3.949 -2.062 399 HG22 VAL 48 1HG2 VAL 48 0.507 -4.801 -2.005 400 HG23 VAL 48 2HG2 VAL 48 0.474 -3.052 -2.245 401 H LYS 49 H LYS 49 1.018 -5.231 2.227 402 HA LYS 49 HA LYS 49 0.475 -3.431 4.329 403 HB2 LYS 49 2HB LYS 49 -0.338 -5.784 4.246 404 HB3 LYS 49 3HB LYS 49 1.303 -6.355 4.530 405 HG2 LYS 49 2HG LYS 49 1.252 -5.103 6.744 406 HG3 LYS 49 3HG LYS 49 -0.457 -4.778 6.447 407 HD2 LYS 49 2HD LYS 49 -0.230 -6.712 7.925 408 HD3 LYS 49 3HD LYS 49 -0.896 -7.226 6.372 409 HE2 LYS 49 2HE LYS 49 1.385 -7.989 5.684 410 HE3 LYS 49 3HE LYS 49 1.992 -7.532 7.279 411 HZ1 LYS 49 3HZ LYS 49 0.489 -9.142 8.265 412 HZ2 LYS 49 1HZ LYS 49 1.501 -9.891 7.139 413 HZ3 LYS 49 2HZ LYS 49 -0.102 -9.559 6.742 414 H ILE 50 H ILE 50 3.427 -5.384 3.686 415 HA ILE 50 HA ILE 50 4.906 -4.403 5.906 416 HB ILE 50 HB ILE 50 6.043 -5.630 3.346 417 HG12 ILE 50 2HG1 ILE 50 5.331 -6.981 6.009 418 HG13 ILE 50 3HG1 ILE 50 4.450 -7.172 4.497 419 HG21 ILE 50 1HG2 ILE 50 7.756 -4.402 4.653 420 HG22 ILE 50 2HG2 ILE 50 8.055 -6.136 4.713 421 HG23 ILE 50 3HG2 ILE 50 7.330 -5.319 6.100 422 HD11 ILE 50 3HD1 ILE 50 6.415 -8.232 3.485 423 HD12 ILE 50 1HD1 ILE 50 5.865 -9.087 4.924 424 HD13 ILE 50 2HD1 ILE 50 7.292 -8.057 5.009 425 H TRP 51 H TRP 51 4.623 -3.263 2.505 426 HA TRP 51 HA TRP 51 6.552 -1.237 2.536 427 HB2 TRP 51 2HB TRP 51 5.285 -1.832 0.477 428 HB3 TRP 51 3HB TRP 51 3.826 -1.135 1.164 429 HD1 TRP 51 HD1 TRP 51 7.122 -0.088 -0.517 430 HE1 TRP 51 HE1 TRP 51 7.018 2.393 -1.130 431 HE3 TRP 51 HE3 TRP 51 2.796 1.155 1.876 432 HZ2 TRP 51 HZ2 TRP 51 5.351 4.603 -0.641 433 HZ3 TRP 51 HZ3 TRP 51 2.016 3.479 1.780 434 HH2 TRP 51 HH2 TRP 51 3.272 5.171 0.545 435 H PHE 52 H PHE 52 3.058 -0.888 3.350 436 HA PHE 52 HA PHE 52 3.007 1.623 4.467 437 HB2 PHE 52 2HB PHE 52 1.409 -0.873 5.069 438 HB3 PHE 52 3HB PHE 52 1.165 0.548 6.077 439 HD1 PHE 52 HD1 PHE 52 1.395 -0.225 2.383 440 HD2 PHE 52 HD2 PHE 52 -0.651 1.900 5.471 441 HE1 PHE 52 HE1 PHE 52 -0.174 0.673 0.727 442 HE2 PHE 52 HE2 PHE 52 -2.215 2.796 3.806 443 HZ PHE 52 HZ PHE 52 -1.973 2.186 1.434 444 H GLN 53 H GLN 53 3.917 -1.399 6.157 445 HA GLN 53 HA GLN 53 4.415 -0.320 8.723 446 HB2 GLN 53 2HB GLN 53 4.137 -2.730 8.335 447 HB3 GLN 53 3HB GLN 53 5.601 -2.777 7.360 448 HG2 GLN 53 2HG GLN 53 6.932 -2.172 9.386 449 HG3 GLN 53 3HG GLN 53 5.447 -2.211 10.339 450 HE21 GLN 53 1HE2 GLN 53 7.742 -4.160 8.547 451 HE22 GLN 53 2HE2 GLN 53 7.288 -5.674 9.235 452 H ASN 54 H ASN 54 6.595 -0.681 5.909 453 HA ASN 54 HA ASN 54 9.026 0.152 7.111 454 HB2 ASN 54 2HB ASN 54 8.166 0.428 4.198 455 HB3 ASN 54 3HB ASN 54 9.819 0.588 4.785 456 HD21 ASN 54 1HD2 ASN 54 8.674 -1.272 2.832 457 HD22 ASN 54 2HD2 ASN 54 9.037 -2.854 3.409 458 H ARG 55 H ARG 55 6.503 1.895 5.354 459 HA ARG 55 HA ARG 55 7.645 4.478 5.432 460 HB2 ARG 55 2HB ARG 55 4.721 3.729 5.138 461 HB3 ARG 55 3HB ARG 55 5.459 5.253 4.649 462 HG2 ARG 55 2HG ARG 55 6.051 2.530 3.467 463 HG3 ARG 55 3HG ARG 55 5.037 3.768 2.746 464 HD2 ARG 55 2HD ARG 55 8.022 4.018 3.253 465 HD3 ARG 55 3HD ARG 55 7.258 3.639 1.694 466 HE ARG 55 HE ARG 55 6.464 6.128 3.034 467 HH11 ARG 55 1HH1 ARG 55 8.234 4.681 0.432 468 HH12 ARG 55 2HH1 ARG 55 8.456 6.195 -0.369 469 HH21 ARG 55 2HH2 ARG 55 6.757 8.018 1.976 470 HH22 ARG 55 1HH2 ARG 55 7.641 8.053 0.488 471 H ARG 56 H ARG 56 5.504 2.788 7.702 472 HA ARG 56 HA ARG 56 5.084 4.990 9.490 473 HB2 ARG 56 2HB ARG 56 4.986 1.987 9.971 474 HB3 ARG 56 3HB ARG 56 4.528 3.189 11.178 475 HG2 ARG 56 2HG ARG 56 2.752 4.014 9.608 476 HG3 ARG 56 3HG ARG 56 3.170 2.701 8.503 477 HD2 ARG 56 2HD ARG 56 1.204 2.135 9.907 478 HD3 ARG 56 3HD ARG 56 2.558 1.038 10.195 479 HE ARG 56 HE ARG 56 2.961 2.077 12.285 480 HH11 ARG 56 1HH1 ARG 56 0.096 3.315 10.794 481 HH12 ARG 56 2HH1 ARG 56 -0.480 4.012 12.262 482 HH21 ARG 56 1HH2 ARG 56 2.212 2.998 14.121 483 HH22 ARG 56 2HH2 ARG 56 0.695 3.820 14.124 484 H TYR 57 H TYR 57 7.581 2.506 9.192 485 HA TYR 57 HA TYR 57 9.191 3.330 11.411 486 HB2 TYR 57 2HB TYR 57 9.440 1.088 10.504 487 HB3 TYR 57 3HB TYR 57 9.795 1.713 8.902 488 HD1 TYR 57 HD1 TYR 57 11.203 2.178 12.390 489 HD2 TYR 57 HD2 TYR 57 12.030 1.441 8.258 490 HE1 TYR 57 HE1 TYR 57 13.604 2.070 12.891 491 HE2 TYR 57 HE2 TYR 57 14.427 1.333 8.760 492 HH TYR 57 HH TYR 57 15.997 2.142 10.460 493 H LYS 58 H LYS 58 8.806 4.484 8.105 494 HA LYS 58 HA LYS 58 11.142 6.223 8.107 495 HB2 LYS 58 2HB LYS 58 8.713 6.224 6.268 496 HB3 LYS 58 3HB LYS 58 10.124 7.258 6.066 497 HG2 LYS 58 2HG LYS 58 11.486 5.070 5.881 498 HG3 LYS 58 3HG LYS 58 9.931 4.254 5.705 499 HD2 LYS 58 2HD LYS 58 10.851 4.711 3.486 500 HD3 LYS 58 3HD LYS 58 9.415 5.709 3.734 501 HE2 LYS 58 2HE LYS 58 10.934 7.621 4.364 502 HE3 LYS 58 3HE LYS 58 12.313 6.603 3.943 503 HZ1 LYS 58 3HZ LYS 58 11.377 6.441 1.684 504 HZ2 LYS 58 1HZ LYS 58 11.786 8.022 2.123 505 HZ3 LYS 58 2HZ LYS 58 10.168 7.542 2.126 506 H THR 59 H THR 59 7.850 6.389 9.234 507 HA THR 59 HA THR 59 7.540 9.247 9.360 508 HB THR 59 HB THR 59 6.106 7.033 10.921 509 HG1 THR 59 HG1 THR 59 5.917 7.410 8.427 510 HG21 THR 59 3HG2 THR 59 5.868 9.198 12.092 511 HG22 THR 59 1HG2 THR 59 4.335 8.712 11.364 512 HG23 THR 59 2HG2 THR 59 5.318 9.960 10.599 513 H LYS 60 H LYS 60 8.570 10.570 10.807 514 HA LYS 60 HA LYS 60 10.637 9.577 12.401 515 HB2 LYS 60 2HB LYS 60 10.957 11.889 13.216 516 HB3 LYS 60 3HB LYS 60 10.790 11.792 11.469 517 HG2 LYS 60 2HG LYS 60 8.467 12.612 11.640 518 HG3 LYS 60 3HG LYS 60 8.613 12.688 13.396 519 HD2 LYS 60 2HD LYS 60 8.906 14.928 12.432 520 HD3 LYS 60 3HD LYS 60 10.411 14.386 13.179 521 HE2 LYS 60 2HE LYS 60 11.304 13.792 10.947 522 HE3 LYS 60 3HE LYS 60 9.791 14.314 10.202 523 HZ1 LYS 60 3HZ LYS 60 10.219 16.552 11.018 524 HZ2 LYS 60 1HZ LYS 60 11.482 16.016 10.033 525 HZ3 LYS 60 2HZ LYS 60 11.671 16.043 11.709 526 H ARG 61 H ARG 61 10.413 8.368 14.119 527 HA ARG 61 HA ARG 61 8.284 8.467 16.024 528 HB2 ARG 61 2HB ARG 61 11.018 7.119 16.177 529 HB3 ARG 61 3HB ARG 61 9.694 6.846 17.306 530 HG2 ARG 61 2HG ARG 61 8.307 5.917 15.491 531 HG3 ARG 61 3HG ARG 61 9.607 6.222 14.334 532 HD2 ARG 61 2HD ARG 61 9.745 4.328 16.710 533 HD3 ARG 61 3HD ARG 61 9.554 3.858 15.016 534 HE ARG 61 HE ARG 61 11.888 5.425 15.293 535 HH11 ARG 61 1HH1 ARG 61 10.742 2.266 16.104 536 HH12 ARG 61 2HH1 ARG 61 12.326 1.583 16.094 537 HH21 ARG 61 1HH2 ARG 61 13.896 4.520 15.289 538 HH22 ARG 61 2HH2 ARG 61 14.086 2.836 15.635 539 H LYS 62 H LYS 62 8.180 10.564 16.718 540 HA LYS 62 HA LYS 62 9.947 11.689 18.672 541 HB2 LYS 62 2HB LYS 62 11.376 12.116 16.713 542 HB3 LYS 62 3HB LYS 62 10.027 12.788 15.814 543 HG2 LYS 62 2HG LYS 62 11.430 14.615 16.511 544 HG3 LYS 62 3HG LYS 62 9.941 14.696 17.451 545 HD2 LYS 62 2HD LYS 62 11.857 15.170 18.885 546 HD3 LYS 62 3HD LYS 62 11.114 13.648 19.383 547 HE2 LYS 62 2HE LYS 62 13.591 13.524 19.378 548 HE3 LYS 62 3HE LYS 62 12.881 12.386 18.237 549 HZ1 LYS 62 3HZ LYS 62 13.389 13.905 16.446 550 HZ2 LYS 62 1HZ LYS 62 14.790 13.534 17.312 551 HZ3 LYS 62 2HZ LYS 62 14.032 15.027 17.530 552 H GLN 63 H GLN 63 7.561 12.314 16.128 553 HA GLN 63 HA GLN 63 6.194 14.490 17.294 554 HB2 GLN 63 2HB GLN 63 4.357 13.930 15.728 555 HB3 GLN 63 3HB GLN 63 5.929 13.913 14.933 556 HG2 GLN 63 2HG GLN 63 5.961 11.453 15.016 557 HG3 GLN 63 3HG GLN 63 4.414 11.450 15.861 558 HE21 GLN 63 1HE2 GLN 63 2.525 11.933 14.696 559 HE22 GLN 63 2HE2 GLN 63 2.480 11.909 12.971 560 H LEU 64 H LEU 64 3.980 14.484 18.166 561 HA LEU 64 HA LEU 64 3.719 13.130 20.565 562 HB2 LEU 64 2HB LEU 64 2.604 15.261 20.006 563 HB3 LEU 64 3HB LEU 64 1.547 14.427 18.879 564 HG LEU 64 HG LEU 64 0.537 13.165 20.795 565 HD11 LEU 64 1HD1 LEU 64 0.948 13.890 23.109 566 HD12 LEU 64 2HD1 LEU 64 2.244 14.949 22.551 567 HD13 LEU 64 3HD1 LEU 64 2.391 13.200 22.367 568 HD21 LEU 64 3HD2 LEU 64 -0.782 15.030 21.708 569 HD22 LEU 64 1HD2 LEU 64 -0.569 15.181 19.963 570 HD23 LEU 64 2HD2 LEU 64 0.384 16.185 21.060 571 H SER 65 H SER 65 1.841 12.488 17.582 572 HA SER 65 HA SER 65 0.937 9.880 18.585 573 HB2 SER 65 2HB SER 65 0.147 11.413 16.073 574 HB3 SER 65 3HB SER 65 -0.568 9.891 16.605 575 HG SER 65 HG SER 65 -0.698 11.597 18.640 576 H SER 66 H SER 66 2.937 8.770 18.462 577 HA SER 66 HA SER 66 3.278 7.379 15.946 578 HB2 SER 66 2HB SER 66 5.777 7.691 15.839 579 HB3 SER 66 3HB SER 66 4.885 9.179 15.535 580 HG SER 66 HG SER 66 5.350 9.846 17.620 581 H GLU 67 H GLU 67 5.346 5.769 16.364 582 HA GLU 67 HA GLU 67 4.268 4.095 18.492 583 HB2 GLU 67 2HB GLU 67 6.273 3.473 16.287 584 HB3 GLU 67 3HB GLU 67 5.561 2.281 17.379 585 HG2 GLU 67 2HG GLU 67 3.347 2.675 16.481 586 HG3 GLU 67 3HG GLU 67 3.916 4.042 15.531 587 H LEU 68 H LEU 68 5.082 4.875 20.426 588 HA LEU 68 HA LEU 68 7.925 4.237 20.971 589 HB2 LEU 68 2HB LEU 68 8.035 5.888 22.735 590 HB3 LEU 68 3HB LEU 68 7.567 6.671 21.244 591 HG LEU 68 HG LEU 68 5.609 6.017 23.491 592 HD11 LEU 68 1HD1 LEU 68 5.710 8.402 24.107 593 HD12 LEU 68 2HD1 LEU 68 7.005 8.655 22.933 594 HD13 LEU 68 3HD1 LEU 68 7.266 7.601 24.324 595 HD21 LEU 68 3HD2 LEU 68 4.128 7.675 22.366 596 HD22 LEU 68 1HD2 LEU 68 4.466 6.271 21.356 597 HD23 LEU 68 2HD2 LEU 68 5.293 7.796 21.045 598 H GLY 69 H GLY 69 8.160 2.487 22.207 599 HA2 GLY 69 2HA GLY 69 5.874 1.416 23.784 600 HA3 GLY 69 3HA GLY 69 7.126 0.455 23.007 Start of MODEL 7 1 H1 MET 1 1H MET 1 28.976 8.104 1.268 2 H2 MET 1 2H MET 1 27.559 8.045 0.350 3 H3 MET 1 3H MET 1 28.342 6.618 0.782 4 HA MET 1 HA MET 1 27.889 6.957 3.085 5 HB2 MET 1 2HB MET 1 27.952 9.454 3.006 6 HB3 MET 1 3HB MET 1 26.411 9.471 2.155 7 HG2 MET 1 2HG MET 1 26.094 10.020 4.506 8 HG3 MET 1 3HG MET 1 25.318 8.476 4.141 9 HE1 MET 1 3HE MET 1 26.610 8.093 7.869 10 HE2 MET 1 1HE MET 1 25.191 8.016 6.826 11 HE3 MET 1 2HE MET 1 25.996 9.560 7.108 12 H GLY 2 H GLY 2 25.338 8.149 0.841 13 HA2 GLY 2 2HA GLY 2 23.490 6.027 1.737 14 HA3 GLY 2 3HA GLY 2 23.074 7.475 0.838 15 H HIS 3 H HIS 3 22.006 6.581 -0.861 16 HA HIS 3 HA HIS 3 21.565 5.580 -2.832 17 HB2 HIS 3 2HB HIS 3 24.597 5.661 -3.159 18 HB3 HIS 3 3HB HIS 3 23.454 5.341 -4.464 19 HD1 HIS 3 HD1 HIS 3 22.046 7.384 -5.322 20 HD2 HIS 3 HD2 HIS 3 24.856 8.359 -2.419 21 HE1 HIS 3 HE1 HIS 3 22.203 9.885 -5.348 22 HE2 HIS 3 HE2 HIS 3 23.927 10.449 -3.620 23 H HIS 4 H HIS 4 21.552 3.862 -0.657 24 HA HIS 4 HA HIS 4 22.939 1.400 -1.274 25 HB2 HIS 4 2HB HIS 4 20.772 1.953 0.795 26 HB3 HIS 4 3HB HIS 4 21.734 0.478 0.690 27 HD1 HIS 4 HD1 HIS 4 21.582 3.099 2.853 28 HD2 HIS 4 HD2 HIS 4 24.744 1.650 0.581 29 HE1 HIS 4 HE1 HIS 4 23.657 3.866 4.016 30 HE2 HIS 4 HE2 HIS 4 25.544 3.135 2.533 31 H HIS 5 H HIS 5 22.276 0.350 -3.062 32 HA HIS 5 HA HIS 5 19.486 0.065 -3.841 33 HB2 HIS 5 2HB HIS 5 21.240 0.333 -5.570 34 HB3 HIS 5 3HB HIS 5 22.044 -1.130 -5.011 35 HD1 HIS 5 HD1 HIS 5 18.783 -0.059 -6.636 36 HD2 HIS 5 HD2 HIS 5 21.160 -3.438 -6.218 37 HE1 HIS 5 HE1 HIS 5 17.737 -1.797 -8.089 38 HE2 HIS 5 HE2 HIS 5 19.045 -3.888 -7.617 39 H HIS 6 H HIS 6 18.232 -1.457 -2.922 40 HA HIS 6 HA HIS 6 19.307 -3.549 -1.228 41 HB2 HIS 6 2HB HIS 6 16.443 -2.763 -1.917 42 HB3 HIS 6 3HB HIS 6 16.864 -4.027 -0.765 43 HD1 HIS 6 HD1 HIS 6 16.783 -3.225 1.566 44 HD2 HIS 6 HD2 HIS 6 17.814 -0.157 -1.027 45 HE1 HIS 6 HE1 HIS 6 17.016 -1.190 2.998 46 HE2 HIS 6 HE2 HIS 6 17.435 0.675 1.377 47 H HIS 7 H HIS 7 19.005 -5.794 -1.484 48 HA HIS 7 HA HIS 7 18.781 -6.802 -4.207 49 HB2 HIS 7 2HB HIS 7 19.256 -8.252 -1.575 50 HB3 HIS 7 3HB HIS 7 19.251 -9.040 -3.154 51 HD1 HIS 7 HD1 HIS 7 21.033 -7.669 -4.911 52 HD2 HIS 7 HD2 HIS 7 21.807 -7.641 -0.832 53 HE1 HIS 7 HE1 HIS 7 23.463 -7.097 -4.691 54 HE2 HIS 7 HE2 HIS 7 23.937 -7.246 -2.230 55 H HIS 8 H HIS 8 16.765 -6.697 -1.318 56 HA HIS 8 HA HIS 8 14.628 -8.314 -2.332 57 HB2 HIS 8 2HB HIS 8 14.797 -7.850 0.078 58 HB3 HIS 8 3HB HIS 8 14.617 -6.122 -0.207 59 HD1 HIS 8 HD1 HIS 8 12.600 -9.319 -0.681 60 HD2 HIS 8 HD2 HIS 8 12.006 -5.254 -0.048 61 HE1 HIS 8 HE1 HIS 8 10.126 -9.038 -0.383 62 HE2 HIS 8 HE2 HIS 8 9.804 -6.595 0.093 63 H SER 9 H SER 9 13.368 -7.816 -4.017 64 HA SER 9 HA SER 9 13.501 -5.470 -5.530 65 HB2 SER 9 2HB SER 9 11.287 -7.570 -5.498 66 HB3 SER 9 3HB SER 9 11.531 -6.365 -6.768 67 HG SER 9 HG SER 9 12.835 -7.762 -7.611 68 H HIS 10 H HIS 10 12.459 -3.560 -5.492 69 HA HIS 10 HA HIS 10 10.324 -3.094 -3.478 70 HB2 HIS 10 2HB HIS 10 11.142 -0.815 -3.233 71 HB3 HIS 10 3HB HIS 10 12.490 -1.920 -3.013 72 HD1 HIS 10 HD1 HIS 10 13.984 -2.216 -5.356 73 HD2 HIS 10 HD2 HIS 10 11.744 1.240 -4.912 74 HE1 HIS 10 HE1 HIS 10 14.964 -0.573 -6.961 75 HE2 HIS 10 HE2 HIS 10 13.683 1.550 -6.580 76 H MET 11 H MET 11 8.800 -1.371 -3.998 77 HA MET 11 HA MET 11 7.502 -1.651 -6.458 78 HB2 MET 11 2HB MET 11 7.233 0.565 -4.394 79 HB3 MET 11 3HB MET 11 6.099 0.284 -5.715 80 HG2 MET 11 2HG MET 11 5.178 -0.653 -3.720 81 HG3 MET 11 3HG MET 11 5.651 -1.981 -4.778 82 HE1 MET 11 3HE MET 11 6.270 -3.483 -1.242 83 HE2 MET 11 1HE MET 11 5.514 -3.723 -2.816 84 HE3 MET 11 2HE MET 11 4.958 -2.425 -1.758 85 H SER 12 H SER 12 6.993 -0.030 -8.068 86 HA SER 12 HA SER 12 9.345 1.388 -9.073 87 HB2 SER 12 2HB SER 12 7.941 0.138 -10.667 88 HB3 SER 12 3HB SER 12 6.542 1.123 -10.243 89 HG SER 12 HG SER 12 7.295 2.727 -11.420 90 H HIS 13 H HIS 13 8.995 3.722 -9.944 91 HA HIS 13 HA HIS 13 8.802 5.346 -7.676 92 HB2 HIS 13 2HB HIS 13 10.157 5.830 -9.747 93 HB3 HIS 13 3HB HIS 13 8.678 6.325 -10.558 94 HD1 HIS 13 HD1 HIS 13 11.177 7.450 -8.037 95 HD2 HIS 13 HD2 HIS 13 7.649 8.849 -9.720 96 HE1 HIS 13 HE1 HIS 13 11.041 9.867 -7.399 97 HE2 HIS 13 HE2 HIS 13 8.795 10.617 -8.240 98 H THR 14 H THR 14 6.508 5.405 -10.484 99 HA THR 14 HA THR 14 4.604 7.135 -9.281 100 HB THR 14 HB THR 14 4.064 5.090 -11.480 101 HG1 THR 14 HG1 THR 14 4.670 6.721 -12.903 102 HG21 THR 14 3HG2 THR 14 2.649 7.711 -10.835 103 HG22 THR 14 1HG2 THR 14 1.987 6.093 -10.574 104 HG23 THR 14 2HG2 THR 14 2.301 6.665 -12.213 105 H GLN 15 H GLN 15 5.005 3.646 -9.155 106 HA GLN 15 HA GLN 15 2.489 2.930 -8.052 107 HB2 GLN 15 2HB GLN 15 3.968 1.315 -9.130 108 HB3 GLN 15 3HB GLN 15 5.204 1.567 -7.901 109 HG2 GLN 15 2HG GLN 15 3.860 0.499 -6.213 110 HG3 GLN 15 3HG GLN 15 2.449 0.459 -7.276 111 HE21 GLN 15 1HE2 GLN 15 2.396 -1.054 -8.954 112 HE22 GLN 15 2HE2 GLN 15 3.437 -2.424 -8.965 113 H VAL 16 H VAL 16 5.621 3.708 -6.519 114 HA VAL 16 HA VAL 16 4.864 3.528 -3.817 115 HB VAL 16 HB VAL 16 6.969 5.361 -5.090 116 HG11 VAL 16 1HG1 VAL 16 6.635 4.623 -2.147 117 HG12 VAL 16 2HG1 VAL 16 6.386 6.217 -2.861 118 HG13 VAL 16 3HG1 VAL 16 8.001 5.512 -2.830 119 HG21 VAL 16 3HG2 VAL 16 7.313 2.637 -3.752 120 HG22 VAL 16 1HG2 VAL 16 8.614 3.648 -4.390 121 HG23 VAL 16 2HG2 VAL 16 7.416 2.961 -5.483 122 H ILE 17 H ILE 17 4.644 6.248 -6.148 123 HA ILE 17 HA ILE 17 3.647 8.275 -4.496 124 HB ILE 17 HB ILE 17 3.043 7.715 -7.436 125 HG12 ILE 17 2HG1 ILE 17 4.987 9.694 -6.142 126 HG13 ILE 17 3HG1 ILE 17 5.432 8.179 -6.915 127 HG21 ILE 17 1HG2 ILE 17 2.254 10.055 -7.646 128 HG22 ILE 17 2HG2 ILE 17 2.409 10.269 -5.901 129 HG23 ILE 17 3HG2 ILE 17 1.234 9.125 -6.548 130 HD11 ILE 17 3HD1 ILE 17 4.235 10.591 -8.277 131 HD12 ILE 17 1HD1 ILE 17 4.615 9.058 -9.069 132 HD13 ILE 17 2HD1 ILE 17 5.904 10.036 -8.370 133 H GLU 18 H GLU 18 1.800 5.809 -6.322 134 HA GLU 18 HA GLU 18 -0.796 6.592 -5.533 135 HB2 GLU 18 2HB GLU 18 0.270 3.898 -6.475 136 HB3 GLU 18 3HB GLU 18 -1.446 4.262 -6.285 137 HG2 GLU 18 2HG GLU 18 0.477 5.652 -8.177 138 HG3 GLU 18 3HG GLU 18 -0.748 4.464 -8.628 139 H LEU 19 H LEU 19 1.423 4.196 -4.174 140 HA LEU 19 HA LEU 19 -0.171 3.269 -2.041 141 HB2 LEU 19 2HB LEU 19 2.833 3.456 -2.435 142 HB3 LEU 19 3HB LEU 19 2.124 2.708 -1.016 143 HG LEU 19 HG LEU 19 1.585 1.724 -3.846 144 HD11 LEU 19 1HD1 LEU 19 3.974 1.500 -3.375 145 HD12 LEU 19 2HD1 LEU 19 3.187 -0.076 -3.406 146 HD13 LEU 19 3HD1 LEU 19 3.620 0.664 -1.860 147 HD21 LEU 19 3HD2 LEU 19 0.785 -0.310 -2.727 148 HD22 LEU 19 1HD2 LEU 19 -0.133 1.099 -2.201 149 HD23 LEU 19 2HD2 LEU 19 1.103 0.410 -1.146 150 H GLU 20 H GLU 20 2.036 6.102 -2.276 151 HA GLU 20 HA GLU 20 1.967 6.848 0.477 152 HB2 GLU 20 2HB GLU 20 2.750 8.408 -2.016 153 HB3 GLU 20 3HB GLU 20 2.859 9.095 -0.398 154 HG2 GLU 20 2HG GLU 20 4.475 7.365 0.248 155 HG3 GLU 20 3HG GLU 20 4.340 6.618 -1.338 156 H ARG 21 H ARG 21 0.059 7.811 -2.346 157 HA ARG 21 HA ARG 21 -1.538 9.814 -1.194 158 HB2 ARG 21 2HB ARG 21 -2.228 7.810 -3.384 159 HB3 ARG 21 3HB ARG 21 -3.205 9.226 -2.989 160 HG2 ARG 21 2HG ARG 21 -1.381 10.719 -3.650 161 HG3 ARG 21 3HG ARG 21 -0.324 9.337 -3.952 162 HD2 ARG 21 2HD ARG 21 -1.221 10.206 -6.055 163 HD3 ARG 21 3HD ARG 21 -1.830 8.574 -5.752 164 HE ARG 21 HE ARG 21 -3.543 10.777 -4.888 165 HH11 ARG 21 1HH1 ARG 21 -2.918 8.413 -7.368 166 HH12 ARG 21 2HH1 ARG 21 -4.493 8.591 -8.059 167 HH21 ARG 21 1HH2 ARG 21 -5.523 10.975 -5.797 168 HH22 ARG 21 2HH2 ARG 21 -5.948 10.042 -7.187 169 H LYS 22 H LYS 22 -2.159 6.306 -1.521 170 HA LYS 22 HA LYS 22 -4.556 6.185 -0.045 171 HB2 LYS 22 2HB LYS 22 -3.671 4.408 -1.601 172 HB3 LYS 22 3HB LYS 22 -2.466 3.985 -0.391 173 HG2 LYS 22 2HG LYS 22 -4.321 2.406 -0.324 174 HG3 LYS 22 3HG LYS 22 -4.268 3.335 1.178 175 HD2 LYS 22 2HD LYS 22 -6.108 4.773 0.385 176 HD3 LYS 22 3HD LYS 22 -6.131 3.925 -1.165 177 HE2 LYS 22 2HE LYS 22 -6.839 1.864 -0.047 178 HE3 LYS 22 3HE LYS 22 -6.740 2.660 1.527 179 HZ1 LYS 22 3HZ LYS 22 -8.549 3.476 -0.674 180 HZ2 LYS 22 1HZ LYS 22 -8.487 4.143 0.874 181 HZ3 LYS 22 2HZ LYS 22 -9.004 2.551 0.663 182 H PHE 23 H PHE 23 -1.186 5.827 0.944 183 HA PHE 23 HA PHE 23 -1.473 5.176 3.662 184 HB2 PHE 23 2HB PHE 23 0.637 4.992 2.296 185 HB3 PHE 23 3HB PHE 23 0.776 6.743 2.321 186 HD1 PHE 23 HD2 PHE 23 0.584 3.793 4.625 187 HD2 PHE 23 HD1 PHE 23 2.084 7.751 4.035 188 HE1 PHE 23 HE2 PHE 23 1.905 3.590 6.682 189 HE2 PHE 23 HE1 PHE 23 3.408 7.543 6.092 190 HZ PHE 23 HZ PHE 23 3.321 5.468 7.420 191 H SER 24 H SER 24 -1.404 8.317 1.996 192 HA SER 24 HA SER 24 -1.379 10.033 4.228 193 HB2 SER 24 2HB SER 24 -2.565 10.498 1.459 194 HB3 SER 24 3HB SER 24 -2.331 11.761 2.670 195 HG SER 24 HG SER 24 -0.511 10.526 1.024 196 H HIS 25 H HIS 25 -4.145 8.542 2.459 197 HA HIS 25 HA HIS 25 -6.126 10.010 3.972 198 HB2 HIS 25 2HB HIS 25 -6.453 7.643 2.079 199 HB3 HIS 25 3HB HIS 25 -7.759 8.654 2.696 200 HD1 HIS 25 HD1 HIS 25 -7.242 11.389 2.040 201 HD2 HIS 25 HD2 HIS 25 -5.760 8.415 -0.431 202 HE1 HIS 25 HE1 HIS 25 -6.746 12.514 -0.137 203 HE2 HIS 25 HE2 HIS 25 -5.746 10.721 -1.578 204 H GLN 26 H GLN 26 -4.612 6.820 4.141 205 HA GLN 26 HA GLN 26 -5.507 6.446 6.863 206 HB2 GLN 26 2HB GLN 26 -6.597 4.248 6.523 207 HB3 GLN 26 3HB GLN 26 -7.462 5.540 5.697 208 HG2 GLN 26 2HG GLN 26 -6.390 4.843 3.549 209 HG3 GLN 26 3HG GLN 26 -5.616 3.507 4.408 210 HE21 GLN 26 1HE2 GLN 26 -6.915 1.765 5.081 211 HE22 GLN 26 2HE2 GLN 26 -8.503 1.507 4.460 212 H LYS 27 H LYS 27 -4.096 5.274 8.018 213 HA LYS 27 HA LYS 27 -1.580 4.404 6.825 214 HB2 LYS 27 2HB LYS 27 -2.535 4.467 9.719 215 HB3 LYS 27 3HB LYS 27 -0.879 4.146 9.214 216 HG2 LYS 27 2HG LYS 27 -2.406 6.744 8.791 217 HG3 LYS 27 3HG LYS 27 -1.149 6.468 10.003 218 HD2 LYS 27 2HD LYS 27 0.537 6.181 8.255 219 HD3 LYS 27 3HD LYS 27 -0.694 6.272 6.993 220 HE2 LYS 27 2HE LYS 27 0.042 8.534 8.882 221 HE3 LYS 27 3HE LYS 27 0.581 8.382 7.210 222 HZ1 LYS 27 3HZ LYS 27 -1.705 8.541 6.485 223 HZ2 LYS 27 1HZ LYS 27 -1.300 9.885 7.425 224 HZ3 LYS 27 2HZ LYS 27 -2.245 8.646 8.079 225 H TYR 28 H TYR 28 -4.422 2.989 8.294 226 HA TYR 28 HA TYR 28 -3.318 0.238 8.125 227 HB2 TYR 28 2HB TYR 28 -5.738 1.285 9.677 228 HB3 TYR 28 3HB TYR 28 -5.157 -0.380 9.685 229 HD1 TYR 28 HD2 TYR 28 -2.930 -0.913 10.748 230 HD2 TYR 28 HD1 TYR 28 -4.685 2.967 11.090 231 HE1 TYR 28 HE2 TYR 28 -1.439 -0.399 12.623 232 HE2 TYR 28 HE1 TYR 28 -3.203 3.479 12.972 233 HH TYR 28 HH TYR 28 -1.901 2.209 14.708 234 H LEU 29 H LEU 29 -3.956 -0.899 6.370 235 HA LEU 29 HA LEU 29 -6.516 -0.347 5.014 236 HB2 LEU 29 2HB LEU 29 -4.289 -2.296 4.290 237 HB3 LEU 29 3HB LEU 29 -5.701 -1.946 3.302 238 HG LEU 29 HG LEU 29 -3.469 0.012 3.970 239 HD11 LEU 29 1HD1 LEU 29 -2.867 -0.168 1.608 240 HD12 LEU 29 2HD1 LEU 29 -4.121 -1.385 1.363 241 HD13 LEU 29 3HD1 LEU 29 -2.749 -1.729 2.418 242 HD21 LEU 29 3HD2 LEU 29 -4.560 1.521 2.354 243 HD22 LEU 29 1HD2 LEU 29 -5.596 1.194 3.742 244 HD23 LEU 29 2HD2 LEU 29 -5.907 0.392 2.201 245 H SER 30 H SER 30 -8.248 -1.716 5.119 246 HA SER 30 HA SER 30 -8.250 -4.076 6.818 247 HB2 SER 30 2HB SER 30 -10.393 -3.002 4.923 248 HB3 SER 30 3HB SER 30 -10.629 -4.294 6.105 249 HG SER 30 HG SER 30 -10.042 -2.726 7.728 250 H ALA 31 H ALA 31 -9.249 -6.169 5.774 251 HA ALA 31 HA ALA 31 -7.436 -7.285 3.982 252 HB1 ALA 31 3HB ALA 31 -10.208 -8.321 4.640 253 HB2 ALA 31 1HB ALA 31 -8.749 -8.604 5.589 254 HB3 ALA 31 2HB ALA 31 -8.879 -9.262 3.956 255 HA PRO 32 HA PRO 32 -10.628 -6.826 0.289 256 HB2 PRO 32 2HB PRO 32 -12.517 -4.823 0.431 257 HB3 PRO 32 3HB PRO 32 -12.827 -6.481 0.990 258 HG2 PRO 32 2HG PRO 32 -12.025 -4.071 2.609 259 HG3 PRO 32 3HG PRO 32 -13.308 -5.265 2.932 260 HD2 PRO 32 2HD PRO 32 -10.915 -5.431 4.162 261 HD3 PRO 32 3HD PRO 32 -11.794 -6.892 3.672 262 H GLU 33 H GLU 33 -9.655 -3.914 2.100 263 HA GLU 33 HA GLU 33 -9.365 -2.163 -0.157 264 HB2 GLU 33 2HB GLU 33 -8.217 -1.898 2.661 265 HB3 GLU 33 3HB GLU 33 -8.392 -0.599 1.477 266 HG2 GLU 33 2HG GLU 33 -10.880 -0.944 1.563 267 HG3 GLU 33 3HG GLU 33 -10.633 -2.113 2.860 268 H ARG 34 H ARG 34 -7.096 -4.017 1.862 269 HA ARG 34 HA ARG 34 -4.673 -3.170 0.649 270 HB2 ARG 34 2HB ARG 34 -4.820 -4.206 2.902 271 HB3 ARG 34 3HB ARG 34 -5.299 -5.736 2.173 272 HG2 ARG 34 2HG ARG 34 -3.074 -5.842 1.030 273 HG3 ARG 34 3HG ARG 34 -2.609 -4.349 1.855 274 HD2 ARG 34 2HD ARG 34 -1.732 -6.386 2.984 275 HD3 ARG 34 3HD ARG 34 -2.802 -5.440 4.030 276 HE ARG 34 HE ARG 34 -3.799 -7.794 2.539 277 HH11 ARG 34 1HH1 ARG 34 -3.387 -6.189 5.591 278 HH12 ARG 34 2HH1 ARG 34 -4.371 -7.330 6.433 279 HH21 ARG 34 1HH2 ARG 34 -5.044 -9.213 3.620 280 HH22 ARG 34 2HH2 ARG 34 -5.294 -9.046 5.326 281 H ALA 35 H ALA 35 -6.820 -5.956 0.094 282 HA ALA 35 HA ALA 35 -5.360 -7.224 -1.972 283 HB1 ALA 35 3HB ALA 35 -7.465 -8.418 -2.452 284 HB2 ALA 35 1HB ALA 35 -8.353 -7.275 -1.433 285 HB3 ALA 35 2HB ALA 35 -7.153 -8.352 -0.719 286 H HIS 36 H HIS 36 -7.949 -4.761 -2.070 287 HA HIS 36 HA HIS 36 -8.265 -4.677 -4.888 288 HB2 HIS 36 2HB HIS 36 -9.932 -3.827 -3.191 289 HB3 HIS 36 3HB HIS 36 -8.886 -2.443 -2.904 290 HD1 HIS 36 HD1 HIS 36 -11.213 -3.911 -5.452 291 HD2 HIS 36 HD2 HIS 36 -9.002 -0.445 -4.876 292 HE1 HIS 36 HE1 HIS 36 -11.996 -2.321 -7.217 293 HE2 HIS 36 HE2 HIS 36 -10.744 -0.192 -6.774 294 H LEU 37 H LEU 37 -6.295 -2.714 -2.662 295 HA LEU 37 HA LEU 37 -5.159 -0.935 -4.571 296 HB2 LEU 37 2HB LEU 37 -5.187 -0.481 -2.150 297 HB3 LEU 37 3HB LEU 37 -4.140 -1.859 -1.855 298 HG LEU 37 HG LEU 37 -2.289 -0.701 -3.079 299 HD11 LEU 37 1HD1 LEU 37 -3.610 0.706 -4.591 300 HD12 LEU 37 2HD1 LEU 37 -2.447 1.663 -3.680 301 HD13 LEU 37 3HD1 LEU 37 -4.156 1.687 -3.229 302 HD21 LEU 37 3HD2 LEU 37 -2.410 -0.508 -0.652 303 HD22 LEU 37 1HD2 LEU 37 -3.468 0.898 -0.783 304 HD23 LEU 37 2HD2 LEU 37 -1.799 0.989 -1.350 305 H ALA 38 H ALA 38 -4.062 -4.039 -3.214 306 HA ALA 38 HA ALA 38 -1.546 -4.264 -4.398 307 HB1 ALA 38 3HB ALA 38 -1.723 -6.678 -3.958 308 HB2 ALA 38 1HB ALA 38 -3.465 -6.513 -3.701 309 HB3 ALA 38 2HB ALA 38 -2.331 -5.737 -2.595 310 H LYS 39 H LYS 39 -4.650 -5.610 -5.629 311 HA LYS 39 HA LYS 39 -3.523 -6.817 -7.933 312 HB2 LYS 39 2HB LYS 39 -5.814 -7.254 -8.645 313 HB3 LYS 39 3HB LYS 39 -5.634 -7.581 -6.929 314 HG2 LYS 39 2HG LYS 39 -6.685 -5.344 -6.456 315 HG3 LYS 39 3HG LYS 39 -6.983 -5.171 -8.185 316 HD2 LYS 39 2HD LYS 39 -8.091 -7.413 -6.451 317 HD3 LYS 39 3HD LYS 39 -8.975 -5.951 -6.878 318 HE2 LYS 39 2HE LYS 39 -9.744 -7.680 -8.342 319 HE3 LYS 39 3HE LYS 39 -8.723 -6.624 -9.312 320 HZ1 LYS 39 3HZ LYS 39 -8.404 -9.046 -9.674 321 HZ2 LYS 39 1HZ LYS 39 -7.775 -9.173 -8.111 322 HZ3 LYS 39 2HZ LYS 39 -6.985 -8.227 -9.274 323 H ASN 40 H ASN 40 -5.074 -3.639 -7.478 324 HA ASN 40 HA ASN 40 -5.102 -2.787 -10.173 325 HB2 ASN 40 2HB ASN 40 -4.991 -1.198 -7.578 326 HB3 ASN 40 3HB ASN 40 -5.119 -0.425 -9.157 327 HD21 ASN 40 1HD2 ASN 40 -7.143 0.452 -8.626 328 HD22 ASN 40 2HD2 ASN 40 -8.574 -0.509 -8.559 329 H LEU 41 H LEU 41 -2.529 -2.692 -7.756 330 HA LEU 41 HA LEU 41 -0.641 -1.394 -9.634 331 HB2 LEU 41 2HB LEU 41 -0.331 -2.087 -6.686 332 HB3 LEU 41 3HB LEU 41 0.857 -1.227 -7.655 333 HG LEU 41 HG LEU 41 -1.918 -0.208 -6.903 334 HD11 LEU 41 1HD1 LEU 41 0.812 0.735 -5.981 335 HD12 LEU 41 2HD1 LEU 41 -0.361 -0.166 -5.018 336 HD13 LEU 41 3HD1 LEU 41 -0.739 1.467 -5.560 337 HD21 LEU 41 3HD2 LEU 41 -1.321 0.603 -9.136 338 HD22 LEU 41 1HD2 LEU 41 0.232 1.192 -8.533 339 HD23 LEU 41 2HD2 LEU 41 -1.275 1.919 -7.967 340 H LYS 42 H LYS 42 -1.672 -4.412 -9.420 341 HA LYS 42 HA LYS 42 -0.974 -6.499 -9.841 342 HB2 LYS 42 2HB LYS 42 1.419 -5.038 -11.034 343 HB3 LYS 42 3HB LYS 42 1.137 -6.760 -11.235 344 HG2 LYS 42 2HG LYS 42 0.368 -5.740 -13.226 345 HG3 LYS 42 3HG LYS 42 -1.079 -6.177 -12.333 346 HD2 LYS 42 2HD LYS 42 -1.319 -3.826 -11.583 347 HD3 LYS 42 3HD LYS 42 0.144 -3.390 -12.465 348 HE2 LYS 42 2HE LYS 42 -0.962 -3.963 -14.585 349 HE3 LYS 42 3HE LYS 42 -2.420 -4.435 -13.709 350 HZ1 LYS 42 3HZ LYS 42 -2.667 -2.224 -14.557 351 HZ2 LYS 42 1HZ LYS 42 -1.227 -1.717 -13.824 352 HZ3 LYS 42 2HZ LYS 42 -2.560 -2.139 -12.869 353 H LEU 43 H LEU 43 0.078 -5.067 -7.302 354 HA LEU 43 HA LEU 43 2.381 -6.648 -6.485 355 HB2 LEU 43 2HB LEU 43 0.669 -4.638 -4.971 356 HB3 LEU 43 3HB LEU 43 2.086 -5.430 -4.294 357 HG LEU 43 HG LEU 43 2.095 -3.517 -6.660 358 HD11 LEU 43 1HD1 LEU 43 1.632 -2.358 -4.560 359 HD12 LEU 43 2HD1 LEU 43 3.240 -1.954 -5.157 360 HD13 LEU 43 3HD1 LEU 43 3.057 -3.091 -3.817 361 HD21 LEU 43 3HD2 LEU 43 4.561 -3.624 -6.493 362 HD22 LEU 43 1HD2 LEU 43 3.865 -5.191 -6.904 363 HD23 LEU 43 2HD2 LEU 43 4.427 -4.879 -5.260 364 H THR 44 H THR 44 2.173 -7.564 -4.124 365 HA THR 44 HA THR 44 -0.280 -9.223 -3.854 366 HB THR 44 HB THR 44 1.046 -10.752 -2.447 367 HG1 THR 44 HG1 THR 44 3.418 -10.311 -2.410 368 HG21 THR 44 3HG2 THR 44 2.499 -10.131 -5.043 369 HG22 THR 44 1HG2 THR 44 1.099 -11.192 -4.870 370 HG23 THR 44 2HG2 THR 44 2.638 -11.631 -4.126 371 H GLU 45 H GLU 45 -1.179 -9.448 -1.727 372 HA GLU 45 HA GLU 45 -1.396 -7.172 -0.108 373 HB2 GLU 45 2HB GLU 45 -1.935 -10.076 0.622 374 HB3 GLU 45 3HB GLU 45 -2.415 -8.700 1.616 375 HG2 GLU 45 2HG GLU 45 -3.786 -7.864 -0.324 376 HG3 GLU 45 3HG GLU 45 -3.417 -9.370 -1.169 377 H THR 46 H THR 46 0.925 -9.826 0.091 378 HA THR 46 HA THR 46 2.076 -9.280 2.611 379 HB THR 46 HB THR 46 3.377 -10.477 0.113 380 HG1 THR 46 HG1 THR 46 2.936 -12.467 1.320 381 HG21 THR 46 3HG2 THR 46 5.019 -11.495 1.670 382 HG22 THR 46 1HG2 THR 46 4.298 -10.618 3.015 383 HG23 THR 46 2HG2 THR 46 5.109 -9.733 1.719 384 H GLN 47 H GLN 47 3.113 -8.263 -0.676 385 HA GLN 47 HA GLN 47 5.312 -6.694 0.144 386 HB2 GLN 47 2HB GLN 47 3.715 -6.717 -2.441 387 HB3 GLN 47 3HB GLN 47 5.151 -5.721 -2.217 388 HG2 GLN 47 2HG GLN 47 6.496 -7.750 -1.799 389 HG3 GLN 47 3HG GLN 47 5.061 -8.748 -2.049 390 HE21 GLN 47 1HE2 GLN 47 5.867 -5.890 -3.986 391 HE22 GLN 47 2HE2 GLN 47 6.194 -6.755 -5.434 392 H VAL 48 H VAL 48 1.976 -5.695 -0.721 393 HA VAL 48 HA VAL 48 2.255 -2.923 -0.347 394 HB VAL 48 HB VAL 48 -0.209 -4.684 0.084 395 HG11 VAL 48 1HG1 VAL 48 -0.092 -1.649 -0.183 396 HG12 VAL 48 2HG1 VAL 48 -0.565 -2.554 1.255 397 HG13 VAL 48 3HG1 VAL 48 -1.570 -2.616 -0.192 398 HG21 VAL 48 3HG2 VAL 48 0.689 -4.782 -2.210 399 HG22 VAL 48 1HG2 VAL 48 0.646 -3.020 -2.325 400 HG23 VAL 48 2HG2 VAL 48 -0.857 -3.937 -2.189 401 H LYS 49 H LYS 49 1.425 -5.475 2.024 402 HA LYS 49 HA LYS 49 1.142 -3.832 4.312 403 HB2 LYS 49 2HB LYS 49 0.322 -6.136 4.262 404 HB3 LYS 49 3HB LYS 49 1.961 -6.755 4.085 405 HG2 LYS 49 2HG LYS 49 2.519 -5.925 6.353 406 HG3 LYS 49 3HG LYS 49 0.881 -5.290 6.522 407 HD2 LYS 49 2HD LYS 49 1.115 -7.435 7.696 408 HD3 LYS 49 3HD LYS 49 -0.043 -7.567 6.374 409 HE2 LYS 49 2HE LYS 49 1.695 -8.649 4.972 410 HE3 LYS 49 3HE LYS 49 2.842 -8.521 6.308 411 HZ1 LYS 49 3HZ LYS 49 1.818 -10.719 6.153 412 HZ2 LYS 49 1HZ LYS 49 0.291 -10.035 6.389 413 HZ3 LYS 49 2HZ LYS 49 1.445 -9.965 7.619 414 H ILE 50 H ILE 50 4.028 -5.387 2.890 415 HA ILE 50 HA ILE 50 5.904 -4.780 4.924 416 HB ILE 50 HB ILE 50 6.330 -5.220 1.931 417 HG12 ILE 50 2HG1 ILE 50 6.872 -7.126 4.267 418 HG13 ILE 50 3HG1 ILE 50 5.436 -7.181 3.253 419 HG21 ILE 50 1HG2 ILE 50 8.226 -3.918 2.790 420 HG22 ILE 50 2HG2 ILE 50 8.749 -5.566 2.446 421 HG23 ILE 50 3HG2 ILE 50 8.456 -5.061 4.113 422 HD11 ILE 50 3HD1 ILE 50 8.267 -7.622 2.307 423 HD12 ILE 50 1HD1 ILE 50 6.816 -7.692 1.304 424 HD13 ILE 50 2HD1 ILE 50 7.052 -8.864 2.598 425 H TRP 51 H TRP 51 5.052 -3.033 1.903 426 HA TRP 51 HA TRP 51 6.808 -0.863 2.149 427 HB2 TRP 51 2HB TRP 51 5.546 -1.377 0.060 428 HB3 TRP 51 3HB TRP 51 4.047 -0.887 0.837 429 HD1 TRP 51 HD1 TRP 51 7.170 0.597 -0.823 430 HE1 TRP 51 HE1 TRP 51 6.841 3.110 -1.155 431 HE3 TRP 51 HE3 TRP 51 2.904 1.217 1.884 432 HZ2 TRP 51 HZ2 TRP 51 5.039 5.094 -0.359 433 HZ3 TRP 51 HZ3 TRP 51 1.942 3.464 2.075 434 HH2 TRP 51 HH2 TRP 51 2.994 5.370 0.975 435 H PHE 52 H PHE 52 3.356 -1.076 3.106 436 HA PHE 52 HA PHE 52 3.094 1.380 4.393 437 HB2 PHE 52 2HB PHE 52 1.620 -1.236 4.577 438 HB3 PHE 52 3HB PHE 52 1.298 -0.055 5.838 439 HD1 PHE 52 HD1 PHE 52 1.357 -0.371 2.080 440 HD2 PHE 52 HD2 PHE 52 -0.316 1.635 5.463 441 HE1 PHE 52 HE1 PHE 52 -0.217 0.806 0.606 442 HE2 PHE 52 HE2 PHE 52 -1.889 2.808 3.982 443 HZ PHE 52 HZ PHE 52 -1.842 2.400 1.551 444 H GLN 53 H GLN 53 4.269 -1.695 5.761 445 HA GLN 53 HA GLN 53 4.485 -0.885 8.463 446 HB2 GLN 53 2HB GLN 53 4.478 -3.245 7.780 447 HB3 GLN 53 3HB GLN 53 6.006 -3.037 6.937 448 HG2 GLN 53 2HG GLN 53 6.373 -4.192 9.036 449 HG3 GLN 53 3HG GLN 53 7.136 -2.606 9.096 450 HE21 GLN 53 1HE2 GLN 53 3.666 -3.086 9.572 451 HE22 GLN 53 2HE2 GLN 53 3.675 -2.683 11.245 452 H ASN 54 H ASN 54 6.989 -1.039 5.905 453 HA ASN 54 HA ASN 54 9.106 0.152 7.339 454 HB2 ASN 54 2HB ASN 54 8.517 -0.197 4.384 455 HB3 ASN 54 3HB ASN 54 9.899 0.771 4.879 456 HD21 ASN 54 1HD2 ASN 54 8.524 -2.473 5.009 457 HD22 ASN 54 2HD2 ASN 54 10.011 -3.280 5.315 458 H ARG 55 H ARG 55 6.571 1.585 5.327 459 HA ARG 55 HA ARG 55 7.428 4.259 5.406 460 HB2 ARG 55 2HB ARG 55 5.297 2.829 4.208 461 HB3 ARG 55 3HB ARG 55 4.482 3.971 5.259 462 HG2 ARG 55 2HG ARG 55 4.713 4.930 3.072 463 HG3 ARG 55 3HG ARG 55 5.735 5.824 4.197 464 HD2 ARG 55 2HD ARG 55 7.717 4.538 3.392 465 HD3 ARG 55 3HD ARG 55 6.680 3.689 2.223 466 HE ARG 55 HE ARG 55 6.504 6.534 1.964 467 HH11 ARG 55 1HH1 ARG 55 8.443 3.799 1.075 468 HH12 ARG 55 2HH1 ARG 55 9.172 4.626 -0.256 469 HH21 ARG 55 1HH2 ARG 55 7.416 7.539 0.245 470 HH22 ARG 55 2HH2 ARG 55 8.588 6.716 -0.722 471 H ARG 56 H ARG 56 5.428 2.394 7.623 472 HA ARG 56 HA ARG 56 4.749 4.519 9.429 473 HB2 ARG 56 2HB ARG 56 4.674 1.485 9.560 474 HB3 ARG 56 3HB ARG 56 4.240 2.464 10.957 475 HG2 ARG 56 2HG ARG 56 2.333 3.376 9.885 476 HG3 ARG 56 3HG ARG 56 2.875 2.878 8.283 477 HD2 ARG 56 2HD ARG 56 0.957 1.521 9.270 478 HD3 ARG 56 3HD ARG 56 2.340 0.590 8.701 479 HE ARG 56 HE ARG 56 2.767 -0.087 10.847 480 HH11 ARG 56 1HH1 ARG 56 0.555 2.560 11.053 481 HH12 ARG 56 2HH1 ARG 56 0.097 2.167 12.672 482 HH21 ARG 56 2HH2 ARG 56 2.180 -0.536 12.912 483 HH22 ARG 56 1HH2 ARG 56 0.991 0.437 13.704 484 H TYR 57 H TYR 57 7.466 2.294 9.115 485 HA TYR 57 HA TYR 57 8.856 3.030 11.517 486 HB2 TYR 57 2HB TYR 57 9.338 0.913 10.353 487 HB3 TYR 57 3HB TYR 57 9.810 1.779 8.902 488 HD1 TYR 57 HD1 TYR 57 10.822 1.156 12.453 489 HD2 TYR 57 HD2 TYR 57 12.098 2.458 8.581 490 HE1 TYR 57 HE1 TYR 57 13.155 1.149 13.214 491 HE2 TYR 57 HE2 TYR 57 14.430 2.457 9.345 492 HH TYR 57 HH TYR 57 15.672 2.620 11.520 493 H LYS 58 H LYS 58 8.513 4.458 8.334 494 HA LYS 58 HA LYS 58 10.837 6.230 8.545 495 HB2 LYS 58 2HB LYS 58 8.661 6.006 6.431 496 HB3 LYS 58 3HB LYS 58 10.050 7.085 6.316 497 HG2 LYS 58 2HG LYS 58 11.577 5.206 6.206 498 HG3 LYS 58 3HG LYS 58 10.266 4.072 6.529 499 HD2 LYS 58 2HD LYS 58 9.184 4.858 4.360 500 HD3 LYS 58 3HD LYS 58 10.669 5.760 4.032 501 HE2 LYS 58 2HE LYS 58 10.409 2.752 4.361 502 HE3 LYS 58 3HE LYS 58 10.722 3.619 2.858 503 HZ1 LYS 58 3HZ LYS 58 12.524 3.419 5.210 504 HZ2 LYS 58 1HZ LYS 58 12.827 4.391 3.855 505 HZ3 LYS 58 2HZ LYS 58 12.747 2.711 3.692 506 H THR 59 H THR 59 7.418 6.427 9.329 507 HA THR 59 HA THR 59 7.643 9.381 9.693 508 HB THR 59 HB THR 59 6.124 8.824 7.789 509 HG1 THR 59 HG1 THR 59 4.253 9.829 9.498 510 HG21 THR 59 3HG2 THR 59 4.290 7.585 9.878 511 HG22 THR 59 1HG2 THR 59 5.172 6.680 8.644 512 HG23 THR 59 2HG2 THR 59 3.920 7.829 8.171 513 H LYS 60 H LYS 60 6.780 10.300 11.517 514 HA LYS 60 HA LYS 60 6.487 10.497 13.755 515 HB2 LYS 60 2HB LYS 60 4.086 8.902 12.835 516 HB3 LYS 60 3HB LYS 60 4.250 9.284 14.541 517 HG2 LYS 60 2HG LYS 60 2.816 10.932 13.524 518 HG3 LYS 60 3HG LYS 60 4.334 11.702 13.984 519 HD2 LYS 60 2HD LYS 60 5.100 11.607 11.627 520 HD3 LYS 60 3HD LYS 60 3.590 10.822 11.167 521 HE2 LYS 60 2HE LYS 60 2.342 12.846 11.893 522 HE3 LYS 60 3HE LYS 60 3.872 13.631 12.292 523 HZ1 LYS 60 3HZ LYS 60 4.517 13.424 9.958 524 HZ2 LYS 60 1HZ LYS 60 3.102 14.330 10.140 525 HZ3 LYS 60 2HZ LYS 60 3.019 12.734 9.586 526 H ARG 61 H ARG 61 8.530 9.210 13.991 527 HA ARG 61 HA ARG 61 8.161 6.774 15.611 528 HB2 ARG 61 2HB ARG 61 9.808 5.528 14.385 529 HB3 ARG 61 3HB ARG 61 8.708 6.180 13.183 530 HG2 ARG 61 2HG ARG 61 11.429 7.359 13.853 531 HG3 ARG 61 3HG ARG 61 11.125 6.247 12.520 532 HD2 ARG 61 2HD ARG 61 9.625 7.896 11.476 533 HD3 ARG 61 3HD ARG 61 9.875 8.999 12.833 534 HE ARG 61 HE ARG 61 12.306 8.223 11.511 535 HH11 ARG 61 1HH1 ARG 61 9.711 10.518 11.470 536 HH12 ARG 61 2HH1 ARG 61 10.621 11.677 10.572 537 HH21 ARG 61 1HH2 ARG 61 13.433 9.730 10.367 538 HH22 ARG 61 2HH2 ARG 61 12.694 11.237 9.956 539 H LYS 62 H LYS 62 10.419 6.107 16.507 540 HA LYS 62 HA LYS 62 11.842 8.482 17.579 541 HB2 LYS 62 2HB LYS 62 12.458 7.046 19.476 542 HB3 LYS 62 3HB LYS 62 10.712 7.042 19.257 543 HG2 LYS 62 2HG LYS 62 10.995 4.842 17.994 544 HG3 LYS 62 3HG LYS 62 12.670 4.836 18.549 545 HD2 LYS 62 2HD LYS 62 11.880 4.832 20.902 546 HD3 LYS 62 3HD LYS 62 10.206 4.841 20.336 547 HE2 LYS 62 2HE LYS 62 12.252 2.638 19.894 548 HE3 LYS 62 3HE LYS 62 10.851 2.575 20.962 549 HZ1 LYS 62 3HZ LYS 62 10.765 2.793 17.997 550 HZ2 LYS 62 1HZ LYS 62 9.414 2.739 19.016 551 HZ3 LYS 62 2HZ LYS 62 10.443 1.404 18.900 552 H GLN 63 H GLN 63 14.120 8.522 17.520 553 HA GLN 63 HA GLN 63 15.453 7.009 15.456 554 HB2 GLN 63 2HB GLN 63 16.026 9.367 15.900 555 HB3 GLN 63 3HB GLN 63 16.535 8.967 17.534 556 HG2 GLN 63 2HG GLN 63 18.471 9.305 16.097 557 HG3 GLN 63 3HG GLN 63 18.401 7.633 16.650 558 HE21 GLN 63 1HE2 GLN 63 19.719 6.959 14.950 559 HE22 GLN 63 2HE2 GLN 63 19.162 6.847 13.320 560 H LEU 64 H LEU 64 16.072 7.315 18.960 561 HA LEU 64 HA LEU 64 16.992 4.496 19.121 562 HB2 LEU 64 2HB LEU 64 18.803 6.251 19.321 563 HB3 LEU 64 3HB LEU 64 18.000 6.887 20.738 564 HG LEU 64 HG LEU 64 19.015 4.013 20.686 565 HD11 LEU 64 1HD1 LEU 64 21.128 4.764 21.703 566 HD12 LEU 64 2HD1 LEU 64 20.649 6.448 21.475 567 HD13 LEU 64 3HD1 LEU 64 20.929 5.412 20.075 568 HD21 LEU 64 3HD2 LEU 64 19.159 4.299 23.141 569 HD22 LEU 64 1HD2 LEU 64 17.521 4.590 22.555 570 HD23 LEU 64 2HD2 LEU 64 18.553 5.952 22.992 571 H SER 65 H SER 65 15.769 7.217 21.098 572 HA SER 65 HA SER 65 13.856 5.415 22.474 573 HB2 SER 65 2HB SER 65 14.208 6.840 24.538 574 HB3 SER 65 3HB SER 65 15.639 5.928 24.059 575 HG SER 65 HG SER 65 16.261 8.026 24.487 576 H SER 66 H SER 66 14.604 8.878 21.861 577 HA SER 66 HA SER 66 12.086 9.265 20.477 578 HB2 SER 66 2HB SER 66 11.202 11.084 21.863 579 HB3 SER 66 3HB SER 66 11.422 9.666 22.888 580 HG SER 66 HG SER 66 12.212 11.816 23.664 581 H GLU 67 H GLU 67 12.141 11.142 19.129 582 HA GLU 67 HA GLU 67 14.812 12.211 18.612 583 HB2 GLU 67 2HB GLU 67 12.203 12.680 17.107 584 HB3 GLU 67 3HB GLU 67 13.811 13.155 16.561 585 HG2 GLU 67 2HG GLU 67 14.449 10.707 16.587 586 HG3 GLU 67 3HG GLU 67 12.760 10.328 16.918 587 H LEU 68 H LEU 68 13.922 13.091 21.063 588 HA LEU 68 HA LEU 68 12.987 15.833 20.914 589 HB2 LEU 68 2HB LEU 68 12.326 14.442 22.814 590 HB3 LEU 68 3HB LEU 68 14.004 14.119 23.208 591 HG LEU 68 HG LEU 68 14.308 16.546 23.797 592 HD11 LEU 68 1HD1 LEU 68 11.312 16.772 23.376 593 HD12 LEU 68 2HD1 LEU 68 12.573 17.540 22.409 594 HD13 LEU 68 3HD1 LEU 68 12.356 18.003 24.092 595 HD21 LEU 68 3HD2 LEU 68 12.094 15.156 25.348 596 HD22 LEU 68 1HD2 LEU 68 13.118 16.469 25.938 597 HD23 LEU 68 2HD2 LEU 68 13.830 14.904 25.557 598 H GLY 69 H GLY 69 14.277 17.635 20.857 599 HA2 GLY 69 2HA GLY 69 16.157 18.981 21.270 600 HA3 GLY 69 3HA GLY 69 17.107 17.556 21.640 Start of MODEL 8 1 H1 MET 1 1H MET 1 18.091 12.209 0.224 2 H2 MET 1 2H MET 1 18.009 13.426 1.395 3 H3 MET 1 3H MET 1 16.638 12.507 1.037 4 HA MET 1 HA MET 1 19.138 11.445 2.194 5 HB2 MET 1 2HB MET 1 17.970 11.312 4.346 6 HB3 MET 1 3HB MET 1 17.964 12.971 3.766 7 HG2 MET 1 2HG MET 1 15.624 11.049 3.608 8 HG3 MET 1 3HG MET 1 15.814 12.354 4.778 9 HE1 MET 1 3HE MET 1 13.298 11.818 2.664 10 HE2 MET 1 1HE MET 1 12.925 13.480 2.226 11 HE3 MET 1 2HE MET 1 13.255 13.067 3.911 12 H GLY 2 H GLY 2 18.815 9.242 3.141 13 HA2 GLY 2 2HA GLY 2 17.989 7.094 3.219 14 HA3 GLY 2 3HA GLY 2 16.509 7.658 2.469 15 H HIS 3 H HIS 3 19.898 7.656 1.301 16 HA HIS 3 HA HIS 3 18.990 6.489 -1.249 17 HB2 HIS 3 2HB HIS 3 21.144 7.213 -2.177 18 HB3 HIS 3 3HB HIS 3 20.306 8.546 -1.407 19 HD1 HIS 3 HD1 HIS 3 23.357 6.402 -1.060 20 HD2 HIS 3 HD2 HIS 3 21.655 9.723 0.756 21 HE1 HIS 3 HE1 HIS 3 25.150 7.356 0.406 22 HE2 HIS 3 HE2 HIS 3 24.085 9.330 1.524 23 H HIS 4 H HIS 4 19.870 5.045 1.505 24 HA HIS 4 HA HIS 4 21.414 2.897 0.161 25 HB2 HIS 4 2HB HIS 4 22.429 3.752 2.246 26 HB3 HIS 4 3HB HIS 4 20.968 3.352 3.140 27 HD1 HIS 4 HD1 HIS 4 23.425 1.441 0.911 28 HD2 HIS 4 HD2 HIS 4 21.229 0.939 4.400 29 HE1 HIS 4 HE1 HIS 4 24.002 -0.850 1.748 30 HE2 HIS 4 HE2 HIS 4 22.767 -1.075 3.918 31 H HIS 5 H HIS 5 20.130 1.392 -0.720 32 HA HIS 5 HA HIS 5 18.213 -0.123 0.763 33 HB2 HIS 5 2HB HIS 5 16.184 0.428 -0.571 34 HB3 HIS 5 3HB HIS 5 16.758 1.818 0.337 35 HD1 HIS 5 HD1 HIS 5 16.206 0.604 -3.137 36 HD2 HIS 5 HD2 HIS 5 17.798 3.943 -1.251 37 HE1 HIS 5 HE1 HIS 5 16.354 2.362 -4.904 38 HE2 HIS 5 HE2 HIS 5 17.105 4.422 -3.688 39 H HIS 6 H HIS 6 16.826 -1.470 -1.060 40 HA HIS 6 HA HIS 6 18.862 -2.977 -2.497 41 HB2 HIS 6 2HB HIS 6 15.875 -3.513 -2.271 42 HB3 HIS 6 3HB HIS 6 17.101 -4.652 -2.820 43 HD1 HIS 6 HD1 HIS 6 15.060 -4.764 -0.233 44 HD2 HIS 6 HD2 HIS 6 19.189 -4.262 -0.247 45 HE1 HIS 6 HE1 HIS 6 15.844 -5.525 2.023 46 HE2 HIS 6 HE2 HIS 6 18.311 -5.055 2.044 47 H HIS 7 H HIS 7 18.582 -3.680 -4.759 48 HA HIS 7 HA HIS 7 17.873 -1.465 -6.515 49 HB2 HIS 7 2HB HIS 7 19.027 -4.199 -7.207 50 HB3 HIS 7 3HB HIS 7 18.855 -2.858 -8.330 51 HD1 HIS 7 HD1 HIS 7 21.062 -4.221 -5.705 52 HD2 HIS 7 HD2 HIS 7 20.729 -0.711 -7.900 53 HE1 HIS 7 HE1 HIS 7 23.250 -3.044 -5.421 54 HE2 HIS 7 HE2 HIS 7 22.989 -0.880 -6.664 55 H HIS 8 H HIS 8 17.158 -4.981 -6.873 56 HA HIS 8 HA HIS 8 14.820 -4.461 -8.480 57 HB2 HIS 8 2HB HIS 8 16.084 -7.010 -7.432 58 HB3 HIS 8 3HB HIS 8 14.551 -7.036 -8.299 59 HD1 HIS 8 HD1 HIS 8 14.616 -6.707 -10.832 60 HD2 HIS 8 HD2 HIS 8 18.351 -6.324 -9.052 61 HE1 HIS 8 HE1 HIS 8 16.264 -6.665 -12.720 62 HE2 HIS 8 HE2 HIS 8 18.516 -6.617 -11.611 63 H SER 9 H SER 9 15.317 -5.546 -5.108 64 HA SER 9 HA SER 9 12.502 -5.637 -4.477 65 HB2 SER 9 2HB SER 9 14.037 -6.929 -3.098 66 HB3 SER 9 3HB SER 9 14.952 -5.485 -2.680 67 HG SER 9 HG SER 9 12.673 -6.483 -1.574 68 H HIS 10 H HIS 10 11.811 -3.688 -5.415 69 HA HIS 10 HA HIS 10 11.819 -1.267 -3.906 70 HB2 HIS 10 2HB HIS 10 14.118 -1.068 -4.798 71 HB3 HIS 10 3HB HIS 10 13.544 -1.366 -6.432 72 HD1 HIS 10 HD1 HIS 10 13.024 1.233 -3.684 73 HD2 HIS 10 HD2 HIS 10 13.137 0.943 -7.829 74 HE1 HIS 10 HE1 HIS 10 12.779 3.575 -4.532 75 HE2 HIS 10 HE2 HIS 10 12.662 3.352 -7.026 76 H MET 11 H MET 11 9.679 -0.859 -4.257 77 HA MET 11 HA MET 11 8.156 -1.365 -6.556 78 HB2 MET 11 2HB MET 11 7.744 0.731 -4.381 79 HB3 MET 11 3HB MET 11 6.539 0.333 -5.600 80 HG2 MET 11 2HG MET 11 5.970 -0.792 -3.552 81 HG3 MET 11 3HG MET 11 6.479 -1.997 -4.734 82 HE1 MET 11 3HE MET 11 6.681 -3.770 -2.710 83 HE2 MET 11 1HE MET 11 6.251 -2.540 -1.516 84 HE3 MET 11 2HE MET 11 7.702 -3.517 -1.297 85 H SER 12 H SER 12 7.277 0.111 -8.168 86 HA SER 12 HA SER 12 9.324 1.678 -9.471 87 HB2 SER 12 2HB SER 12 6.370 1.408 -10.180 88 HB3 SER 12 3HB SER 12 7.631 2.053 -11.233 89 HG SER 12 HG SER 12 6.880 -0.444 -10.980 90 H HIS 13 H HIS 13 9.163 3.983 -10.060 91 HA HIS 13 HA HIS 13 8.812 5.710 -7.941 92 HB2 HIS 13 2HB HIS 13 10.135 6.301 -9.928 93 HB3 HIS 13 3HB HIS 13 8.676 6.426 -10.900 94 HD1 HIS 13 HD1 HIS 13 10.509 8.221 -8.127 95 HD2 HIS 13 HD2 HIS 13 7.324 8.863 -10.709 96 HE1 HIS 13 HE1 HIS 13 9.867 10.622 -7.820 97 HE2 HIS 13 HE2 HIS 13 7.998 11.011 -9.446 98 H THR 14 H THR 14 6.537 5.528 -10.730 99 HA THR 14 HA THR 14 4.580 7.213 -9.563 100 HB THR 14 HB THR 14 4.008 5.185 -11.761 101 HG1 THR 14 HG1 THR 14 4.797 6.724 -13.213 102 HG21 THR 14 3HG2 THR 14 2.411 6.921 -12.538 103 HG22 THR 14 1HG2 THR 14 2.850 7.943 -11.170 104 HG23 THR 14 2HG2 THR 14 2.028 6.402 -10.894 105 H GLN 15 H GLN 15 5.055 3.728 -9.451 106 HA GLN 15 HA GLN 15 2.561 2.933 -8.372 107 HB2 GLN 15 2HB GLN 15 4.082 1.305 -9.305 108 HB3 GLN 15 3HB GLN 15 5.337 1.723 -8.143 109 HG2 GLN 15 2HG GLN 15 4.066 0.743 -6.323 110 HG3 GLN 15 3HG GLN 15 2.677 0.476 -7.379 111 HE21 GLN 15 1HE2 GLN 15 2.755 -1.221 -8.877 112 HE22 GLN 15 2HE2 GLN 15 3.936 -2.476 -8.767 113 H VAL 16 H VAL 16 5.611 3.896 -6.774 114 HA VAL 16 HA VAL 16 4.743 3.695 -4.104 115 HB VAL 16 HB VAL 16 6.881 5.563 -5.261 116 HG11 VAL 16 1HG1 VAL 16 6.398 4.784 -2.347 117 HG12 VAL 16 2HG1 VAL 16 6.147 6.380 -3.056 118 HG13 VAL 16 3HG1 VAL 16 7.775 5.717 -2.946 119 HG21 VAL 16 3HG2 VAL 16 8.507 3.863 -4.482 120 HG22 VAL 16 1HG2 VAL 16 7.380 3.171 -5.648 121 HG23 VAL 16 2HG2 VAL 16 7.185 2.830 -3.928 122 H ILE 17 H ILE 17 4.465 6.378 -6.481 123 HA ILE 17 HA ILE 17 3.420 8.402 -4.843 124 HB ILE 17 HB ILE 17 2.537 7.786 -7.707 125 HG12 ILE 17 2HG1 ILE 17 4.985 8.044 -7.611 126 HG13 ILE 17 3HG1 ILE 17 4.259 9.402 -8.452 127 HG21 ILE 17 1HG2 ILE 17 2.355 10.401 -6.160 128 HG22 ILE 17 2HG2 ILE 17 1.004 9.371 -6.639 129 HG23 ILE 17 3HG2 ILE 17 1.963 10.194 -7.869 130 HD11 ILE 17 3HD1 ILE 17 6.056 10.140 -7.058 131 HD12 ILE 17 1HD1 ILE 17 5.326 9.395 -5.636 132 HD13 ILE 17 2HD1 ILE 17 4.537 10.765 -6.423 133 H GLU 18 H GLU 18 1.669 5.819 -6.587 134 HA GLU 18 HA GLU 18 -0.955 6.428 -5.728 135 HB2 GLU 18 2HB GLU 18 0.188 3.744 -6.605 136 HB3 GLU 18 3HB GLU 18 -1.522 4.166 -6.556 137 HG2 GLU 18 2HG GLU 18 0.556 5.489 -8.326 138 HG3 GLU 18 3HG GLU 18 -0.555 4.223 -8.845 139 H LEU 19 H LEU 19 1.431 4.110 -4.459 140 HA LEU 19 HA LEU 19 -0.022 3.022 -2.308 141 HB2 LEU 19 2HB LEU 19 2.944 3.463 -2.790 142 HB3 LEU 19 3HB LEU 19 2.363 2.674 -1.337 143 HG LEU 19 HG LEU 19 1.815 1.610 -4.129 144 HD11 LEU 19 1HD1 LEU 19 4.003 0.758 -2.202 145 HD12 LEU 19 2HD1 LEU 19 4.234 1.615 -3.728 146 HD13 LEU 19 3HD1 LEU 19 3.597 -0.026 -3.733 147 HD21 LEU 19 3HD2 LEU 19 1.230 -0.474 -2.960 148 HD22 LEU 19 1HD2 LEU 19 0.208 0.856 -2.419 149 HD23 LEU 19 2HD2 LEU 19 1.535 0.293 -1.399 150 H GLU 20 H GLU 20 1.962 5.968 -2.514 151 HA GLU 20 HA GLU 20 1.895 6.700 0.246 152 HB2 GLU 20 2HB GLU 20 2.607 8.201 -2.299 153 HB3 GLU 20 3HB GLU 20 2.674 8.983 -0.726 154 HG2 GLU 20 2HG GLU 20 4.222 6.433 -1.246 155 HG3 GLU 20 3HG GLU 20 4.851 7.988 -1.775 156 H ARG 21 H ARG 21 -0.089 7.553 -2.580 157 HA ARG 21 HA ARG 21 -1.758 9.517 -1.492 158 HB2 ARG 21 2HB ARG 21 -2.372 7.334 -3.527 159 HB3 ARG 21 3HB ARG 21 -3.488 8.648 -3.159 160 HG2 ARG 21 2HG ARG 21 -1.920 10.298 -3.994 161 HG3 ARG 21 3HG ARG 21 -0.677 9.067 -4.223 162 HD2 ARG 21 2HD ARG 21 -1.747 9.674 -6.352 163 HD3 ARG 21 3HD ARG 21 -2.036 7.978 -5.948 164 HE ARG 21 HE ARG 21 -4.158 9.686 -5.047 165 HH11 ARG 21 1HH1 ARG 21 -2.987 8.018 -7.860 166 HH12 ARG 21 2HH1 ARG 21 -4.548 7.958 -8.597 167 HH21 ARG 21 1HH2 ARG 21 -6.131 9.588 -6.015 168 HH22 ARG 21 2HH2 ARG 21 -6.310 8.848 -7.567 169 H LYS 22 H LYS 22 -2.110 5.979 -1.455 170 HA LYS 22 HA LYS 22 -4.542 5.963 0.080 171 HB2 LYS 22 2HB LYS 22 -3.799 4.188 -1.598 172 HB3 LYS 22 3HB LYS 22 -2.620 3.635 -0.415 173 HG2 LYS 22 2HG LYS 22 -4.628 2.227 -0.392 174 HG3 LYS 22 3HG LYS 22 -4.432 3.068 1.152 175 HD2 LYS 22 2HD LYS 22 -6.123 4.743 0.470 176 HD3 LYS 22 3HD LYS 22 -6.303 3.936 -1.093 177 HE2 LYS 22 2HE LYS 22 -6.905 2.658 1.588 178 HE3 LYS 22 3HE LYS 22 -8.107 3.389 0.531 179 HZ1 LYS 22 3HZ LYS 22 -7.573 1.771 -1.156 180 HZ2 LYS 22 1HZ LYS 22 -8.036 1.007 0.277 181 HZ3 LYS 22 2HZ LYS 22 -6.402 1.067 -0.165 182 H PHE 23 H PHE 23 -1.105 5.554 0.858 183 HA PHE 23 HA PHE 23 -1.357 4.838 3.583 184 HB2 PHE 23 2HB PHE 23 0.746 4.592 2.211 185 HB3 PHE 23 3HB PHE 23 0.950 6.340 2.267 186 HD1 PHE 23 HD2 PHE 23 0.675 3.330 4.463 187 HD2 PHE 23 HD1 PHE 23 2.142 7.321 4.107 188 HE1 PHE 23 HE2 PHE 23 1.859 3.084 6.591 189 HE2 PHE 23 HE1 PHE 23 3.329 7.072 6.233 190 HZ PHE 23 HZ PHE 23 3.188 4.956 7.481 191 H SER 24 H SER 24 -1.099 7.998 1.978 192 HA SER 24 HA SER 24 -1.179 9.600 4.355 193 HB2 SER 24 2HB SER 24 -1.687 10.303 1.436 194 HB3 SER 24 3HB SER 24 -1.715 11.499 2.737 195 HG SER 24 HG SER 24 0.445 9.983 1.745 196 H HIS 25 H HIS 25 -3.637 8.096 2.309 197 HA HIS 25 HA HIS 25 -5.888 9.549 3.293 198 HB2 HIS 25 2HB HIS 25 -5.797 8.309 1.107 199 HB3 HIS 25 3HB HIS 25 -5.704 6.793 1.991 200 HD1 HIS 25 HD1 HIS 25 -7.910 6.057 3.289 201 HD2 HIS 25 HD2 HIS 25 -8.315 9.304 0.740 202 HE1 HIS 25 HE1 HIS 25 -10.372 6.352 2.974 203 HE2 HIS 25 HE2 HIS 25 -10.586 8.212 1.297 204 H GLN 26 H GLN 26 -4.255 6.542 4.120 205 HA GLN 26 HA GLN 26 -5.248 6.431 6.802 206 HB2 GLN 26 2HB GLN 26 -6.416 4.242 6.600 207 HB3 GLN 26 3HB GLN 26 -7.216 5.501 5.666 208 HG2 GLN 26 2HG GLN 26 -6.036 4.606 3.608 209 HG3 GLN 26 3HG GLN 26 -5.475 3.262 4.607 210 HE21 GLN 26 1HE2 GLN 26 -6.991 1.702 5.265 211 HE22 GLN 26 2HE2 GLN 26 -8.548 1.565 4.534 212 H LYS 27 H LYS 27 -3.867 5.266 8.056 213 HA LYS 27 HA LYS 27 -1.358 4.384 6.871 214 HB2 LYS 27 2HB LYS 27 -2.233 4.488 9.788 215 HB3 LYS 27 3HB LYS 27 -0.584 4.218 9.220 216 HG2 LYS 27 2HG LYS 27 -2.218 6.757 8.858 217 HG3 LYS 27 3HG LYS 27 -0.871 6.529 9.979 218 HD2 LYS 27 2HD LYS 27 0.675 6.213 8.085 219 HD3 LYS 27 3HD LYS 27 -0.658 6.371 6.939 220 HE2 LYS 27 2HE LYS 27 0.663 8.450 7.108 221 HE3 LYS 27 3HE LYS 27 -1.005 8.697 7.628 222 HZ1 LYS 27 3HZ LYS 27 0.624 9.754 9.092 223 HZ2 LYS 27 1HZ LYS 27 1.292 8.243 9.454 224 HZ3 LYS 27 2HZ LYS 27 -0.299 8.599 9.913 225 H TYR 28 H TYR 28 -4.252 2.949 8.112 226 HA TYR 28 HA TYR 28 -3.090 0.222 7.931 227 HB2 TYR 28 2HB TYR 28 -5.283 1.178 9.824 228 HB3 TYR 28 3HB TYR 28 -4.716 -0.486 9.678 229 HD1 TYR 28 HD2 TYR 28 -2.420 -1.092 10.491 230 HD2 TYR 28 HD1 TYR 28 -4.008 2.831 11.093 231 HE1 TYR 28 HE2 TYR 28 -0.700 -0.654 12.186 232 HE2 TYR 28 HE1 TYR 28 -2.293 3.271 12.783 233 HH TYR 28 HH TYR 28 -0.856 1.937 14.324 234 H LEU 29 H LEU 29 -3.951 -0.952 6.354 235 HA LEU 29 HA LEU 29 -6.541 -0.294 5.128 236 HB2 LEU 29 2HB LEU 29 -4.452 -2.381 4.356 237 HB3 LEU 29 3HB LEU 29 -5.878 -1.967 3.414 238 HG LEU 29 HG LEU 29 -3.525 -0.114 3.968 239 HD11 LEU 29 1HD1 LEU 29 -2.992 -0.340 1.601 240 HD12 LEU 29 2HD1 LEU 29 -4.328 -1.474 1.381 241 HD13 LEU 29 3HD1 LEU 29 -2.954 -1.913 2.399 242 HD21 LEU 29 3HD2 LEU 29 -5.995 0.366 2.269 243 HD22 LEU 29 1HD2 LEU 29 -4.589 1.430 2.370 244 HD23 LEU 29 2HD2 LEU 29 -5.597 1.168 3.790 245 H SER 30 H SER 30 -8.250 -1.798 4.972 246 HA SER 30 HA SER 30 -8.354 -4.076 6.802 247 HB2 SER 30 2HB SER 30 -10.366 -3.091 4.732 248 HB3 SER 30 3HB SER 30 -10.666 -4.362 5.922 249 HG SER 30 HG SER 30 -10.980 -2.886 7.395 250 H ALA 31 H ALA 31 -9.266 -6.230 5.744 251 HA ALA 31 HA ALA 31 -7.404 -7.294 3.938 252 HB1 ALA 31 3HB ALA 31 -10.165 -8.393 4.534 253 HB2 ALA 31 1HB ALA 31 -8.705 -8.697 5.474 254 HB3 ALA 31 2HB ALA 31 -8.821 -9.281 3.814 255 HA PRO 32 HA PRO 32 -10.654 -6.551 0.277 256 HB2 PRO 32 2HB PRO 32 -12.321 -4.342 0.713 257 HB3 PRO 32 3HB PRO 32 -12.818 -6.037 0.895 258 HG2 PRO 32 2HG PRO 32 -11.922 -4.093 3.004 259 HG3 PRO 32 3HG PRO 32 -13.271 -5.256 3.043 260 HD2 PRO 32 2HD PRO 32 -10.964 -5.803 4.291 261 HD3 PRO 32 3HD PRO 32 -11.854 -7.085 3.442 262 H GLU 33 H GLU 33 -9.840 -3.587 2.230 263 HA GLU 33 HA GLU 33 -9.178 -1.875 0.122 264 HB2 GLU 33 2HB GLU 33 -8.235 -1.936 3.010 265 HB3 GLU 33 3HB GLU 33 -7.893 -0.593 1.921 266 HG2 GLU 33 2HG GLU 33 -10.675 -1.532 2.702 267 HG3 GLU 33 3HG GLU 33 -9.816 -0.185 3.452 268 H ARG 34 H ARG 34 -7.116 -4.109 1.926 269 HA ARG 34 HA ARG 34 -4.615 -3.320 0.797 270 HB2 ARG 34 2HB ARG 34 -4.887 -4.498 2.983 271 HB3 ARG 34 3HB ARG 34 -5.408 -5.944 2.124 272 HG2 ARG 34 2HG ARG 34 -3.138 -6.000 1.007 273 HG3 ARG 34 3HG ARG 34 -2.653 -4.663 2.059 274 HD2 ARG 34 2HD ARG 34 -1.932 -6.877 2.940 275 HD3 ARG 34 3HD ARG 34 -3.032 -6.042 4.046 276 HE ARG 34 HE ARG 34 -4.087 -8.030 2.160 277 HH11 ARG 34 1HH1 ARG 34 -3.577 -7.146 5.459 278 HH12 ARG 34 2HH1 ARG 34 -4.597 -8.406 6.050 279 HH21 ARG 34 1HH2 ARG 34 -5.400 -9.584 2.927 280 HH22 ARG 34 2HH2 ARG 34 -5.611 -9.784 4.636 281 H ALA 35 H ALA 35 -6.978 -5.857 0.051 282 HA ALA 35 HA ALA 35 -5.574 -7.122 -2.070 283 HB1 ALA 35 3HB ALA 35 -7.730 -8.195 -2.575 284 HB2 ALA 35 1HB ALA 35 -8.554 -7.059 -1.497 285 HB3 ALA 35 2HB ALA 35 -7.399 -8.219 -0.843 286 H HIS 36 H HIS 36 -7.933 -4.460 -1.984 287 HA HIS 36 HA HIS 36 -8.281 -4.061 -4.751 288 HB2 HIS 36 2HB HIS 36 -8.393 -1.989 -2.508 289 HB3 HIS 36 3HB HIS 36 -8.942 -1.706 -4.157 290 HD1 HIS 36 HD1 HIS 36 -10.350 -4.739 -4.091 291 HD2 HIS 36 HD2 HIS 36 -11.059 -1.462 -1.631 292 HE1 HIS 36 HE1 HIS 36 -12.634 -5.093 -3.126 293 HE2 HIS 36 HE2 HIS 36 -13.059 -3.098 -1.674 294 H LEU 37 H LEU 37 -6.082 -2.402 -2.440 295 HA LEU 37 HA LEU 37 -4.797 -0.748 -4.348 296 HB2 LEU 37 2HB LEU 37 -4.856 -0.368 -1.869 297 HB3 LEU 37 3HB LEU 37 -3.706 -1.681 -1.668 298 HG LEU 37 HG LEU 37 -2.028 -0.377 -3.015 299 HD11 LEU 37 1HD1 LEU 37 -4.061 1.882 -2.915 300 HD12 LEU 37 2HD1 LEU 37 -3.577 0.979 -4.356 301 HD13 LEU 37 3HD1 LEU 37 -2.402 1.992 -3.519 302 HD21 LEU 37 3HD2 LEU 37 -3.103 1.077 -0.574 303 HD22 LEU 37 1HD2 LEU 37 -1.493 1.276 -1.272 304 HD23 LEU 37 2HD2 LEU 37 -1.963 -0.272 -0.576 305 H ALA 38 H ALA 38 -3.965 -3.948 -3.074 306 HA ALA 38 HA ALA 38 -1.453 -4.326 -4.270 307 HB1 ALA 38 3HB ALA 38 -3.552 -6.431 -3.645 308 HB2 ALA 38 1HB ALA 38 -2.346 -5.811 -2.519 309 HB3 ALA 38 2HB ALA 38 -1.835 -6.733 -3.934 310 H LYS 39 H LYS 39 -4.682 -5.429 -5.482 311 HA LYS 39 HA LYS 39 -3.620 -6.427 -7.949 312 HB2 LYS 39 2HB LYS 39 -5.868 -6.953 -8.569 313 HB3 LYS 39 3HB LYS 39 -5.729 -7.243 -6.841 314 HG2 LYS 39 2HG LYS 39 -6.874 -5.060 -6.417 315 HG3 LYS 39 3HG LYS 39 -7.084 -4.866 -8.159 316 HD2 LYS 39 2HD LYS 39 -8.237 -7.101 -6.448 317 HD3 LYS 39 3HD LYS 39 -9.134 -5.735 -7.106 318 HE2 LYS 39 2HE LYS 39 -7.763 -7.876 -8.773 319 HE3 LYS 39 3HE LYS 39 -9.484 -7.829 -8.399 320 HZ1 LYS 39 3HZ LYS 39 -7.990 -5.776 -9.936 321 HZ2 LYS 39 1HZ LYS 39 -9.639 -5.726 -9.572 322 HZ3 LYS 39 2HZ LYS 39 -9.035 -6.937 -10.581 323 H ASN 40 H ASN 40 -4.910 -3.293 -7.020 324 HA ASN 40 HA ASN 40 -5.256 -2.095 -9.552 325 HB2 ASN 40 2HB ASN 40 -4.663 -0.933 -6.813 326 HB3 ASN 40 3HB ASN 40 -4.701 0.116 -8.226 327 HD21 ASN 40 1HD2 ASN 40 -6.875 -2.650 -7.762 328 HD22 ASN 40 2HD2 ASN 40 -8.296 -1.700 -7.573 329 H LEU 41 H LEU 41 -2.362 -2.481 -7.547 330 HA LEU 41 HA LEU 41 -0.666 -1.186 -9.618 331 HB2 LEU 41 2HB LEU 41 -0.076 -1.723 -6.687 332 HB3 LEU 41 3HB LEU 41 0.988 -0.879 -7.807 333 HG LEU 41 HG LEU 41 -1.756 0.093 -6.899 334 HD11 LEU 41 1HD1 LEU 41 -0.550 1.847 -5.695 335 HD12 LEU 41 2HD1 LEU 41 0.991 1.129 -6.165 336 HD13 LEU 41 3HD1 LEU 41 -0.110 0.244 -5.108 337 HD21 LEU 41 3HD2 LEU 41 -1.298 0.807 -9.200 338 HD22 LEU 41 1HD2 LEU 41 0.265 1.467 -8.705 339 HD23 LEU 41 2HD2 LEU 41 -1.232 2.177 -8.096 340 H LYS 42 H LYS 42 -1.660 -4.170 -9.186 341 HA LYS 42 HA LYS 42 -0.968 -6.283 -9.469 342 HB2 LYS 42 2HB LYS 42 1.004 -4.762 -11.198 343 HB3 LYS 42 3HB LYS 42 1.060 -6.518 -11.115 344 HG2 LYS 42 2HG LYS 42 -0.208 -5.821 -13.065 345 HG3 LYS 42 3HG LYS 42 -1.260 -6.655 -11.928 346 HD2 LYS 42 2HD LYS 42 -2.064 -4.392 -11.135 347 HD3 LYS 42 3HD LYS 42 -1.111 -3.656 -12.425 348 HE2 LYS 42 2HE LYS 42 -3.411 -5.607 -12.791 349 HE3 LYS 42 3HE LYS 42 -3.467 -3.868 -13.073 350 HZ1 LYS 42 3HZ LYS 42 -1.816 -5.832 -14.570 351 HZ2 LYS 42 1HZ LYS 42 -1.792 -4.158 -14.818 352 HZ3 LYS 42 2HZ LYS 42 -3.198 -5.039 -15.136 353 H LEU 43 H LEU 43 0.042 -4.927 -7.139 354 HA LEU 43 HA LEU 43 2.483 -6.370 -6.405 355 HB2 LEU 43 2HB LEU 43 0.682 -4.522 -4.784 356 HB3 LEU 43 3HB LEU 43 2.183 -5.227 -4.199 357 HG LEU 43 HG LEU 43 1.910 -3.197 -6.449 358 HD11 LEU 43 1HD1 LEU 43 3.115 -2.898 -3.685 359 HD12 LEU 43 2HD1 LEU 43 1.591 -2.202 -4.239 360 HD13 LEU 43 3HD1 LEU 43 3.110 -1.671 -4.956 361 HD21 LEU 43 3HD2 LEU 43 4.379 -3.181 -6.498 362 HD22 LEU 43 1HD2 LEU 43 3.716 -4.743 -6.973 363 HD23 LEU 43 2HD2 LEU 43 4.409 -4.529 -5.363 364 H THR 44 H THR 44 2.324 -7.435 -4.138 365 HA THR 44 HA THR 44 -0.060 -9.202 -4.018 366 HB THR 44 HB THR 44 1.273 -10.796 -2.762 367 HG1 THR 44 HG1 THR 44 3.586 -10.254 -2.429 368 HG21 THR 44 3HG2 THR 44 1.577 -10.923 -5.206 369 HG22 THR 44 1HG2 THR 44 3.064 -11.379 -4.365 370 HG23 THR 44 2HG2 THR 44 2.921 -9.786 -5.106 371 H GLU 45 H GLU 45 -1.053 -9.533 -1.928 372 HA GLU 45 HA GLU 45 -1.278 -7.283 -0.227 373 HB2 GLU 45 2HB GLU 45 -2.070 -10.186 0.245 374 HB3 GLU 45 3HB GLU 45 -2.479 -8.877 1.354 375 HG2 GLU 45 2HG GLU 45 -3.703 -7.737 -0.514 376 HG3 GLU 45 3HG GLU 45 -3.393 -9.146 -1.528 377 H THR 46 H THR 46 1.048 -9.863 -0.213 378 HA THR 46 HA THR 46 2.140 -9.465 2.402 379 HB THR 46 HB THR 46 3.415 -10.589 -0.140 380 HG1 THR 46 HG1 THR 46 2.744 -12.529 0.605 381 HG21 THR 46 3HG2 THR 46 5.098 -11.634 1.360 382 HG22 THR 46 1HG2 THR 46 4.419 -10.770 2.735 383 HG23 THR 46 2HG2 THR 46 5.193 -9.875 1.424 384 H GLN 47 H GLN 47 3.122 -8.254 -0.850 385 HA GLN 47 HA GLN 47 5.322 -6.685 -0.018 386 HB2 GLN 47 2HB GLN 47 3.596 -6.484 -2.517 387 HB3 GLN 47 3HB GLN 47 5.082 -5.565 -2.287 388 HG2 GLN 47 2HG GLN 47 6.392 -7.622 -2.204 389 HG3 GLN 47 3HG GLN 47 4.922 -8.594 -2.303 390 HE21 GLN 47 1HE2 GLN 47 5.559 -5.678 -4.234 391 HE22 GLN 47 2HE2 GLN 47 5.654 -6.502 -5.742 392 H VAL 48 H VAL 48 1.923 -5.771 -0.595 393 HA VAL 48 HA VAL 48 2.152 -3.003 -0.019 394 HB VAL 48 HB VAL 48 -0.289 -4.831 0.251 395 HG11 VAL 48 1HG1 VAL 48 -0.199 -1.784 0.130 396 HG12 VAL 48 2HG1 VAL 48 -0.669 -2.761 1.521 397 HG13 VAL 48 3HG1 VAL 48 -1.666 -2.766 0.069 398 HG21 VAL 48 3HG2 VAL 48 -0.925 -3.977 -1.988 399 HG22 VAL 48 1HG2 VAL 48 0.629 -4.810 -2.036 400 HG23 VAL 48 2HG2 VAL 48 0.573 -3.046 -2.068 401 H LYS 49 H LYS 49 1.452 -5.816 2.065 402 HA LYS 49 HA LYS 49 0.963 -4.494 4.513 403 HB2 LYS 49 2HB LYS 49 0.434 -6.851 4.179 404 HB3 LYS 49 3HB LYS 49 2.129 -7.245 3.924 405 HG2 LYS 49 2HG LYS 49 2.584 -6.621 6.310 406 HG3 LYS 49 3HG LYS 49 0.855 -6.344 6.534 407 HD2 LYS 49 2HD LYS 49 1.470 -8.561 7.368 408 HD3 LYS 49 3HD LYS 49 0.401 -8.717 5.972 409 HE2 LYS 49 2HE LYS 49 2.210 -10.356 5.824 410 HE3 LYS 49 3HE LYS 49 2.389 -9.170 4.530 411 HZ1 LYS 49 3HZ LYS 49 3.917 -9.279 7.073 412 HZ2 LYS 49 1HZ LYS 49 4.038 -8.021 5.949 413 HZ3 LYS 49 2HZ LYS 49 4.506 -9.585 5.521 414 H ILE 50 H ILE 50 4.011 -5.797 3.179 415 HA ILE 50 HA ILE 50 5.718 -5.113 5.341 416 HB ILE 50 HB ILE 50 6.375 -5.673 2.408 417 HG12 ILE 50 2HG1 ILE 50 6.552 -7.521 4.851 418 HG13 ILE 50 3HG1 ILE 50 5.267 -7.560 3.649 419 HG21 ILE 50 1HG2 ILE 50 8.231 -4.422 3.450 420 HG22 ILE 50 2HG2 ILE 50 8.714 -6.089 3.146 421 HG23 ILE 50 3HG2 ILE 50 8.292 -5.578 4.783 422 HD11 ILE 50 3HD1 ILE 50 6.860 -9.329 3.271 423 HD12 ILE 50 1HD1 ILE 50 8.178 -8.164 3.147 424 HD13 ILE 50 2HD1 ILE 50 6.898 -8.186 1.930 425 H TRP 51 H TRP 51 5.056 -3.510 2.207 426 HA TRP 51 HA TRP 51 6.731 -1.296 2.404 427 HB2 TRP 51 2HB TRP 51 5.415 -1.959 0.343 428 HB3 TRP 51 3HB TRP 51 3.967 -1.313 1.100 429 HD1 TRP 51 HD1 TRP 51 7.239 -0.153 -0.576 430 HE1 TRP 51 HE1 TRP 51 7.061 2.338 -1.144 431 HE3 TRP 51 HE3 TRP 51 2.848 0.903 1.798 432 HZ2 TRP 51 HZ2 TRP 51 5.312 4.485 -0.638 433 HZ3 TRP 51 HZ3 TRP 51 1.990 3.207 1.726 434 HH2 TRP 51 HH2 TRP 51 3.200 4.964 0.531 435 H PHE 52 H PHE 52 3.220 -1.359 3.199 436 HA PHE 52 HA PHE 52 2.935 1.069 4.465 437 HB2 PHE 52 2HB PHE 52 1.446 -1.524 4.619 438 HB3 PHE 52 3HB PHE 52 1.130 -0.399 5.932 439 HD1 PHE 52 HD1 PHE 52 1.340 -0.403 2.165 440 HD2 PHE 52 HD2 PHE 52 -0.603 1.162 5.637 441 HE1 PHE 52 HE1 PHE 52 -0.196 0.872 0.735 442 HE2 PHE 52 HE2 PHE 52 -2.139 2.434 4.199 443 HZ PHE 52 HZ PHE 52 -1.936 2.295 1.746 444 H GLN 53 H GLN 53 4.011 -1.978 6.027 445 HA GLN 53 HA GLN 53 4.203 -1.122 8.684 446 HB2 GLN 53 2HB GLN 53 4.453 -3.482 8.029 447 HB3 GLN 53 3HB GLN 53 5.969 -3.123 7.208 448 HG2 GLN 53 2HG GLN 53 6.958 -2.465 9.418 449 HG3 GLN 53 3HG GLN 53 5.453 -2.950 10.195 450 HE21 GLN 53 1HE2 GLN 53 8.329 -4.083 8.580 451 HE22 GLN 53 2HE2 GLN 53 8.167 -5.739 9.040 452 H ASN 54 H ASN 54 6.833 -1.141 6.222 453 HA ASN 54 HA ASN 54 8.788 0.118 7.859 454 HB2 ASN 54 2HB ASN 54 8.617 -0.173 4.830 455 HB3 ASN 54 3HB ASN 54 10.008 0.537 5.645 456 HD21 ASN 54 1HD2 ASN 54 8.456 -2.409 4.791 457 HD22 ASN 54 2HD2 ASN 54 9.605 -3.473 5.511 458 H ARG 55 H ARG 55 6.465 1.472 5.523 459 HA ARG 55 HA ARG 55 7.431 4.129 5.526 460 HB2 ARG 55 2HB ARG 55 4.602 3.174 4.981 461 HB3 ARG 55 3HB ARG 55 5.252 4.756 4.544 462 HG2 ARG 55 2HG ARG 55 6.226 2.092 3.485 463 HG3 ARG 55 3HG ARG 55 5.168 3.210 2.637 464 HD2 ARG 55 2HD ARG 55 8.042 3.762 3.450 465 HD3 ARG 55 3HD ARG 55 7.478 3.341 1.822 466 HE ARG 55 HE ARG 55 6.042 5.468 2.095 467 HH11 ARG 55 1HH1 ARG 55 9.235 5.174 3.394 468 HH12 ARG 55 2HH1 ARG 55 9.560 6.859 3.236 469 HH21 ARG 55 1HH2 ARG 55 6.479 7.603 1.924 470 HH22 ARG 55 2HH2 ARG 55 8.010 8.221 2.436 471 H ARG 56 H ARG 56 5.117 2.529 7.703 472 HA ARG 56 HA ARG 56 4.318 4.801 9.204 473 HB2 ARG 56 2HB ARG 56 4.641 1.907 10.096 474 HB3 ARG 56 3HB ARG 56 3.839 3.157 11.047 475 HG2 ARG 56 2HG ARG 56 2.067 3.367 9.426 476 HG3 ARG 56 3HG ARG 56 2.927 2.342 8.278 477 HD2 ARG 56 2HD ARG 56 2.752 0.475 10.009 478 HD3 ARG 56 3HD ARG 56 1.626 1.521 10.883 479 HE ARG 56 HE ARG 56 0.363 1.517 8.645 480 HH11 ARG 56 1HH1 ARG 56 2.124 -1.220 9.842 481 HH12 ARG 56 2HH1 ARG 56 1.101 -2.353 9.032 482 HH21 ARG 56 1HH2 ARG 56 -0.892 0.046 7.608 483 HH22 ARG 56 2HH2 ARG 56 -0.581 -1.645 7.779 484 H TYR 57 H TYR 57 7.078 2.613 9.489 485 HA TYR 57 HA TYR 57 8.362 3.853 11.711 486 HB2 TYR 57 2HB TYR 57 8.862 1.561 11.121 487 HB3 TYR 57 3HB TYR 57 9.323 2.013 9.487 488 HD1 TYR 57 HD1 TYR 57 10.342 2.828 13.023 489 HD2 TYR 57 HD2 TYR 57 11.629 2.012 9.029 490 HE1 TYR 57 HE1 TYR 57 12.679 2.931 13.763 491 HE2 TYR 57 HE2 TYR 57 13.968 2.117 9.762 492 HH TYR 57 HH TYR 57 14.876 2.131 13.045 493 H LYS 58 H LYS 58 8.361 4.540 8.251 494 HA LYS 58 HA LYS 58 10.712 6.250 8.254 495 HB2 LYS 58 2HB LYS 58 8.588 5.766 6.132 496 HB3 LYS 58 3HB LYS 58 9.986 6.800 5.883 497 HG2 LYS 58 2HG LYS 58 10.243 3.852 6.563 498 HG3 LYS 58 3HG LYS 58 10.080 4.434 4.911 499 HD2 LYS 58 2HD LYS 58 12.405 4.147 5.190 500 HD3 LYS 58 3HD LYS 58 12.170 5.881 5.381 501 HE2 LYS 58 2HE LYS 58 12.259 5.555 7.872 502 HE3 LYS 58 3HE LYS 58 12.605 3.848 7.593 503 HZ1 LYS 58 3HZ LYS 58 14.275 6.126 6.690 504 HZ2 LYS 58 1HZ LYS 58 14.607 4.496 6.407 505 HZ3 LYS 58 2HZ LYS 58 14.616 5.097 7.982 506 H THR 59 H THR 59 7.245 6.717 8.515 507 HA THR 59 HA THR 59 7.472 9.660 8.357 508 HB THR 59 HB THR 59 4.998 9.690 8.200 509 HG1 THR 59 HG1 THR 59 4.801 6.936 7.843 510 HG21 THR 59 3HG2 THR 59 4.739 8.630 5.984 511 HG22 THR 59 1HG2 THR 59 6.227 7.719 6.230 512 HG23 THR 59 2HG2 THR 59 6.284 9.479 6.088 513 H LYS 60 H LYS 60 7.488 7.197 10.646 514 HA LYS 60 HA LYS 60 6.263 8.459 12.880 515 HB2 LYS 60 2HB LYS 60 6.860 6.072 12.897 516 HB3 LYS 60 3HB LYS 60 8.567 6.463 12.746 517 HG2 LYS 60 2HG LYS 60 8.572 7.464 14.978 518 HG3 LYS 60 3HG LYS 60 6.835 7.211 15.128 519 HD2 LYS 60 2HD LYS 60 8.809 4.923 14.788 520 HD3 LYS 60 3HD LYS 60 8.351 5.565 16.364 521 HE2 LYS 60 2HE LYS 60 6.999 3.628 15.980 522 HE3 LYS 60 3HE LYS 60 5.945 5.025 15.797 523 HZ1 LYS 60 3HZ LYS 60 6.100 4.786 13.397 524 HZ2 LYS 60 1HZ LYS 60 5.556 3.350 14.102 525 HZ3 LYS 60 2HZ LYS 60 7.152 3.470 13.567 526 H ARG 61 H ARG 61 7.240 9.680 14.572 527 HA ARG 61 HA ARG 61 8.879 11.812 13.807 528 HB2 ARG 61 2HB ARG 61 8.114 10.778 16.564 529 HB3 ARG 61 3HB ARG 61 9.114 12.209 16.358 530 HG2 ARG 61 2HG ARG 61 6.838 12.906 16.731 531 HG3 ARG 61 3HG ARG 61 7.293 13.297 15.075 532 HD2 ARG 61 2HD ARG 61 6.077 11.232 14.311 533 HD3 ARG 61 3HD ARG 61 5.537 10.981 15.975 534 HE ARG 61 HE ARG 61 4.728 13.514 15.412 535 HH11 ARG 61 1HH1 ARG 61 4.154 10.467 13.851 536 HH12 ARG 61 2HH1 ARG 61 2.644 10.981 13.198 537 HH21 ARG 61 1HH2 ARG 61 2.801 14.126 14.555 538 HH22 ARG 61 2HH2 ARG 61 1.888 13.023 13.585 539 H LYS 62 H LYS 62 11.039 12.200 13.868 540 HA LYS 62 HA LYS 62 12.718 9.909 13.619 541 HB2 LYS 62 2HB LYS 62 12.843 11.967 12.164 542 HB3 LYS 62 3HB LYS 62 13.529 12.844 13.522 543 HG2 LYS 62 2HG LYS 62 15.312 12.189 12.020 544 HG3 LYS 62 3HG LYS 62 15.482 11.291 13.531 545 HD2 LYS 62 2HD LYS 62 15.898 9.823 11.595 546 HD3 LYS 62 3HD LYS 62 14.461 9.295 12.474 547 HE2 LYS 62 2HE LYS 62 13.010 10.316 10.784 548 HE3 LYS 62 3HE LYS 62 14.411 10.986 9.946 549 HZ1 LYS 62 3HZ LYS 62 13.928 8.089 10.321 550 HZ2 LYS 62 1HZ LYS 62 15.128 8.807 9.380 551 HZ3 LYS 62 2HZ LYS 62 13.510 8.951 8.933 552 H GLN 63 H GLN 63 12.623 9.067 15.757 553 HA GLN 63 HA GLN 63 14.359 10.364 17.783 554 HB2 GLN 63 2HB GLN 63 12.103 8.343 18.148 555 HB3 GLN 63 3HB GLN 63 13.127 8.939 19.447 556 HG2 GLN 63 2HG GLN 63 11.208 10.614 17.792 557 HG3 GLN 63 3HG GLN 63 10.929 10.044 19.438 558 HE21 GLN 63 1HE2 GLN 63 12.147 10.991 21.138 559 HE22 GLN 63 2HE2 GLN 63 12.932 12.516 20.945 560 H LEU 64 H LEU 64 15.440 8.696 19.225 561 HA LEU 64 HA LEU 64 17.203 7.101 17.650 562 HB2 LEU 64 2HB LEU 64 16.868 7.321 20.660 563 HB3 LEU 64 3HB LEU 64 18.129 6.366 19.907 564 HG LEU 64 HG LEU 64 19.142 8.416 20.617 565 HD11 LEU 64 1HD1 LEU 64 20.004 9.398 18.547 566 HD12 LEU 64 2HD1 LEU 64 18.719 8.617 17.624 567 HD13 LEU 64 3HD1 LEU 64 19.933 7.639 18.451 568 HD21 LEU 64 3HD2 LEU 64 16.988 9.982 19.152 569 HD22 LEU 64 1HD2 LEU 64 18.384 10.666 19.991 570 HD23 LEU 64 2HD2 LEU 64 17.142 9.812 20.902 571 H SER 65 H SER 65 14.198 6.384 19.146 572 HA SER 65 HA SER 65 12.798 4.634 19.065 573 HB2 SER 65 2HB SER 65 13.536 4.177 16.774 574 HB3 SER 65 3HB SER 65 14.923 3.264 17.363 575 HG SER 65 HG SER 65 13.610 1.631 17.198 576 H SER 66 H SER 66 15.948 2.917 19.298 577 HA SER 66 HA SER 66 15.171 1.889 21.967 578 HB2 SER 66 2HB SER 66 17.043 0.665 19.896 579 HB3 SER 66 3HB SER 66 16.754 0.000 21.505 580 HG SER 66 HG SER 66 15.159 -1.002 20.598 581 H GLU 67 H GLU 67 17.442 1.137 23.090 582 HA GLU 67 HA GLU 67 18.929 3.626 23.558 583 HB2 GLU 67 2HB GLU 67 18.958 1.012 25.124 584 HB3 GLU 67 3HB GLU 67 19.670 2.543 25.636 585 HG2 GLU 67 2HG GLU 67 17.458 3.570 25.782 586 HG3 GLU 67 3HG GLU 67 16.705 2.102 25.158 587 H LEU 68 H LEU 68 20.537 3.803 22.045 588 HA LEU 68 HA LEU 68 22.188 1.545 21.210 589 HB2 LEU 68 2HB LEU 68 22.125 4.467 20.340 590 HB3 LEU 68 3HB LEU 68 23.315 3.324 19.747 591 HG LEU 68 HG LEU 68 21.419 1.939 18.775 592 HD11 LEU 68 1HD1 LEU 68 19.684 4.336 19.444 593 HD12 LEU 68 2HD1 LEU 68 19.567 2.728 20.161 594 HD13 LEU 68 3HD1 LEU 68 19.214 2.951 18.452 595 HD21 LEU 68 3HD2 LEU 68 22.736 3.436 17.356 596 HD22 LEU 68 1HD2 LEU 68 21.660 4.785 17.733 597 HD23 LEU 68 2HD2 LEU 68 21.060 3.395 16.822 598 H GLY 69 H GLY 69 23.564 0.970 22.841 599 HA2 GLY 69 2HA GLY 69 25.859 1.296 23.610 600 HA3 GLY 69 3HA GLY 69 25.491 2.990 23.898 Start of MODEL 9 1 H1 MET 1 1H MET 1 24.081 2.039 13.626 2 H2 MET 1 2H MET 1 23.139 2.890 14.739 3 H3 MET 1 3H MET 1 22.399 2.050 13.475 4 HA MET 1 HA MET 1 23.904 0.868 15.730 5 HB2 MET 1 2HB MET 1 21.731 1.612 16.485 6 HB3 MET 1 3HB MET 1 20.937 0.968 15.054 7 HG2 MET 1 2HG MET 1 20.541 -0.364 17.131 8 HG3 MET 1 3HG MET 1 21.246 -1.302 15.810 9 HE1 MET 1 3HE MET 1 22.080 -3.270 17.314 10 HE2 MET 1 1HE MET 1 21.281 -2.516 18.696 11 HE3 MET 1 2HE MET 1 22.957 -3.048 18.827 12 H GLY 2 H GLY 2 24.753 -1.095 15.368 13 HA2 GLY 2 2HA GLY 2 25.133 -3.200 14.565 14 HA3 GLY 2 3HA GLY 2 23.491 -3.205 13.948 15 H HIS 3 H HIS 3 23.717 -3.997 11.923 16 HA HIS 3 HA HIS 3 25.753 -2.898 10.075 17 HB2 HIS 3 2HB HIS 3 23.972 -5.366 9.796 18 HB3 HIS 3 3HB HIS 3 25.208 -4.863 8.644 19 HD1 HIS 3 HD1 HIS 3 24.737 -7.075 11.435 20 HD2 HIS 3 HD2 HIS 3 27.916 -4.827 9.987 21 HE1 HIS 3 HE1 HIS 3 26.792 -8.079 12.446 22 HE2 HIS 3 HE2 HIS 3 28.710 -6.802 11.445 23 H HIS 4 H HIS 4 25.149 -1.620 8.402 24 HA HIS 4 HA HIS 4 22.525 -0.491 8.255 25 HB2 HIS 4 2HB HIS 4 24.775 -0.186 6.221 26 HB3 HIS 4 3HB HIS 4 23.405 0.896 6.447 27 HD1 HIS 4 HD1 HIS 4 23.511 2.483 8.556 28 HD2 HIS 4 HD2 HIS 4 26.933 0.220 7.934 29 HE1 HIS 4 HE1 HIS 4 25.282 3.538 9.971 30 HE2 HIS 4 HE2 HIS 4 27.270 2.029 9.736 31 H HIS 5 H HIS 5 20.884 -1.847 7.536 32 HA HIS 5 HA HIS 5 21.258 -3.766 5.399 33 HB2 HIS 5 2HB HIS 5 18.867 -4.310 5.725 34 HB3 HIS 5 3HB HIS 5 19.730 -4.282 7.255 35 HD1 HIS 5 HD1 HIS 5 18.616 -2.980 9.074 36 HD2 HIS 5 HD2 HIS 5 17.257 -1.806 5.332 37 HE1 HIS 5 HE1 HIS 5 16.775 -1.347 9.507 38 HE2 HIS 5 HE2 HIS 5 16.125 -0.504 7.237 39 H HIS 6 H HIS 6 19.969 -3.813 3.410 40 HA HIS 6 HA HIS 6 19.881 -1.248 2.049 41 HB2 HIS 6 2HB HIS 6 19.457 -4.096 1.091 42 HB3 HIS 6 3HB HIS 6 19.296 -2.704 0.027 43 HD1 HIS 6 HD1 HIS 6 21.821 -4.898 1.632 44 HD2 HIS 6 HD2 HIS 6 21.740 -1.343 -0.523 45 HE1 HIS 6 HE1 HIS 6 24.191 -4.475 0.936 46 HE2 HIS 6 HE2 HIS 6 24.142 -2.221 -0.173 47 H HIS 7 H HIS 7 18.024 -0.863 0.488 48 HA HIS 7 HA HIS 7 15.502 -0.759 1.969 49 HB2 HIS 7 2HB HIS 7 16.288 0.507 -0.696 50 HB3 HIS 7 3HB HIS 7 14.816 0.855 0.209 51 HD1 HIS 7 HD1 HIS 7 14.973 2.728 1.883 52 HD2 HIS 7 HD2 HIS 7 18.716 1.424 0.664 53 HE1 HIS 7 HE1 HIS 7 16.601 4.337 2.893 54 HE2 HIS 7 HE2 HIS 7 18.849 3.366 2.350 55 H HIS 8 H HIS 8 13.615 -1.859 1.374 56 HA HIS 8 HA HIS 8 13.705 -4.026 -0.508 57 HB2 HIS 8 2HB HIS 8 11.238 -2.765 0.774 58 HB3 HIS 8 3HB HIS 8 11.302 -4.330 -0.019 59 HD1 HIS 8 HD1 HIS 8 11.614 -2.742 3.234 60 HD2 HIS 8 HD2 HIS 8 12.935 -6.284 1.509 61 HE1 HIS 8 HE1 HIS 8 12.186 -4.263 5.145 62 HE2 HIS 8 HE2 HIS 8 13.034 -6.367 4.082 63 H SER 9 H SER 9 14.316 -3.075 -2.503 64 HA SER 9 HA SER 9 12.746 -0.888 -3.682 65 HB2 SER 9 2HB SER 9 15.257 -0.841 -3.681 66 HB3 SER 9 3HB SER 9 15.265 -2.272 -4.711 67 HG SER 9 HG SER 9 15.354 -0.740 -6.185 68 H HIS 10 H HIS 10 11.388 -3.426 -3.468 69 HA HIS 10 HA HIS 10 11.284 -4.618 -6.152 70 HB2 HIS 10 2HB HIS 10 9.939 -5.340 -3.518 71 HB3 HIS 10 3HB HIS 10 9.638 -6.206 -5.020 72 HD1 HIS 10 HD1 HIS 10 10.737 -8.412 -4.622 73 HD2 HIS 10 HD2 HIS 10 13.210 -5.256 -3.541 74 HE1 HIS 10 HE1 HIS 10 12.934 -9.452 -4.023 75 HE2 HIS 10 HE2 HIS 10 14.457 -7.511 -3.550 76 H MET 11 H MET 11 10.396 -1.877 -5.764 77 HA MET 11 HA MET 11 7.762 -1.931 -6.988 78 HB2 MET 11 2HB MET 11 8.287 -0.375 -4.408 79 HB3 MET 11 3HB MET 11 6.900 -0.094 -5.448 80 HG2 MET 11 2HG MET 11 6.050 -2.319 -4.986 81 HG3 MET 11 3HG MET 11 7.488 -2.713 -4.044 82 HE1 MET 11 3HE MET 11 5.953 -3.503 -2.006 83 HE2 MET 11 1HE MET 11 4.523 -3.127 -2.971 84 HE3 MET 11 2HE MET 11 4.667 -2.505 -1.328 85 H SER 12 H SER 12 7.357 -0.002 -8.218 86 HA SER 12 HA SER 12 9.793 1.488 -8.961 87 HB2 SER 12 2HB SER 12 7.050 1.409 -10.269 88 HB3 SER 12 3HB SER 12 8.427 2.321 -10.885 89 HG SER 12 HG SER 12 8.709 0.513 -11.954 90 H HIS 13 H HIS 13 9.483 3.906 -9.459 91 HA HIS 13 HA HIS 13 9.017 5.209 -6.998 92 HB2 HIS 13 2HB HIS 13 10.671 6.014 -8.666 93 HB3 HIS 13 3HB HIS 13 9.366 6.479 -9.749 94 HD1 HIS 13 HD1 HIS 13 10.847 7.403 -6.395 95 HD2 HIS 13 HD2 HIS 13 8.297 9.003 -9.255 96 HE1 HIS 13 HE1 HIS 13 10.398 9.751 -5.657 97 HE2 HIS 13 HE2 HIS 13 8.727 10.639 -7.306 98 H THR 14 H THR 14 7.117 5.373 -10.063 99 HA THR 14 HA THR 14 5.128 7.171 -9.069 100 HB THR 14 HB THR 14 4.914 5.296 -11.471 101 HG1 THR 14 HG1 THR 14 5.453 7.668 -12.347 102 HG21 THR 14 3HG2 THR 14 3.300 6.962 -12.350 103 HG22 THR 14 1HG2 THR 14 3.451 7.902 -10.866 104 HG23 THR 14 2HG2 THR 14 2.730 6.293 -10.819 105 H GLN 15 H GLN 15 5.395 3.662 -9.227 106 HA GLN 15 HA GLN 15 2.803 2.920 -8.391 107 HB2 GLN 15 2HB GLN 15 4.288 1.263 -9.333 108 HB3 GLN 15 3HB GLN 15 5.500 1.555 -8.090 109 HG2 GLN 15 2HG GLN 15 4.143 0.500 -6.399 110 HG3 GLN 15 3HG GLN 15 2.752 0.412 -7.491 111 HE21 GLN 15 1HE2 GLN 15 2.752 -1.166 -9.113 112 HE22 GLN 15 2HE2 GLN 15 3.823 -2.514 -9.080 113 H VAL 16 H VAL 16 5.767 3.604 -6.495 114 HA VAL 16 HA VAL 16 4.683 3.291 -3.911 115 HB VAL 16 HB VAL 16 7.072 4.905 -4.896 116 HG11 VAL 16 1HG1 VAL 16 6.293 6.014 -2.835 117 HG12 VAL 16 2HG1 VAL 16 7.823 5.186 -2.555 118 HG13 VAL 16 3HG1 VAL 16 6.314 4.472 -1.974 119 HG21 VAL 16 3HG2 VAL 16 8.389 3.079 -3.854 120 HG22 VAL 16 1HG2 VAL 16 7.263 2.448 -5.056 121 HG23 VAL 16 2HG2 VAL 16 6.899 2.283 -3.338 122 H ILE 17 H ILE 17 4.681 6.103 -6.096 123 HA ILE 17 HA ILE 17 3.562 8.013 -4.332 124 HB ILE 17 HB ILE 17 3.223 7.799 -7.361 125 HG12 ILE 17 2HG1 ILE 17 5.183 9.483 -5.723 126 HG13 ILE 17 3HG1 ILE 17 5.595 8.012 -6.593 127 HG21 ILE 17 1HG2 ILE 17 1.467 9.234 -6.398 128 HG22 ILE 17 2HG2 ILE 17 2.612 10.196 -7.329 129 HG23 ILE 17 3HG2 ILE 17 2.687 10.198 -5.564 130 HD11 ILE 17 3HD1 ILE 17 6.311 9.965 -7.812 131 HD12 ILE 17 1HD1 ILE 17 4.666 10.601 -7.832 132 HD13 ILE 17 2HD1 ILE 17 5.052 9.120 -8.713 133 H GLU 18 H GLU 18 1.959 5.714 -6.578 134 HA GLU 18 HA GLU 18 -0.734 6.287 -6.041 135 HB2 GLU 18 2HB GLU 18 0.512 3.580 -6.676 136 HB3 GLU 18 3HB GLU 18 -1.192 3.979 -6.849 137 HG2 GLU 18 2HG GLU 18 1.039 5.314 -8.399 138 HG3 GLU 18 3HG GLU 18 0.112 3.943 -8.988 139 H LEU 19 H LEU 19 1.456 3.972 -4.449 140 HA LEU 19 HA LEU 19 -0.214 2.973 -2.423 141 HB2 LEU 19 2HB LEU 19 2.792 3.421 -2.530 142 HB3 LEU 19 3HB LEU 19 2.016 2.586 -1.200 143 HG LEU 19 HG LEU 19 1.799 1.594 -4.066 144 HD11 LEU 19 1HD1 LEU 19 4.176 1.661 -3.515 145 HD12 LEU 19 2HD1 LEU 19 3.601 0.003 -3.590 146 HD13 LEU 19 3HD1 LEU 19 3.882 0.767 -2.024 147 HD21 LEU 19 3HD2 LEU 19 1.382 0.188 -1.406 148 HD22 LEU 19 1HD2 LEU 19 1.239 -0.550 -3.007 149 HD23 LEU 19 2HD2 LEU 19 0.118 0.715 -2.520 150 H GLU 20 H GLU 20 1.763 5.946 -2.549 151 HA GLU 20 HA GLU 20 1.417 6.768 0.163 152 HB2 GLU 20 2HB GLU 20 2.334 8.288 -2.298 153 HB3 GLU 20 3HB GLU 20 2.253 9.031 -0.706 154 HG2 GLU 20 2HG GLU 20 3.911 7.444 0.147 155 HG3 GLU 20 3HG GLU 20 3.965 6.628 -1.415 156 H ARG 21 H ARG 21 -0.513 7.374 -2.766 157 HA ARG 21 HA ARG 21 -2.247 9.341 -1.709 158 HB2 ARG 21 2HB ARG 21 -2.585 7.258 -3.865 159 HB3 ARG 21 3HB ARG 21 -4.021 8.092 -3.295 160 HG2 ARG 21 2HG ARG 21 -3.219 9.186 -5.283 161 HG3 ARG 21 3HG ARG 21 -2.991 10.270 -3.911 162 HD2 ARG 21 2HD ARG 21 -0.617 9.770 -3.851 163 HD3 ARG 21 3HD ARG 21 -0.801 8.531 -5.094 164 HE ARG 21 HE ARG 21 -0.732 11.416 -5.466 165 HH11 ARG 21 1HH1 ARG 21 -1.395 8.361 -6.963 166 HH12 ARG 21 2HH1 ARG 21 -1.177 8.990 -8.556 167 HH21 ARG 21 1HH2 ARG 21 -0.469 12.166 -7.518 168 HH22 ARG 21 2HH2 ARG 21 -0.672 11.099 -8.866 169 H LYS 22 H LYS 22 -2.510 5.785 -1.575 170 HA LYS 22 HA LYS 22 -4.905 5.687 -0.012 171 HB2 LYS 22 2HB LYS 22 -3.932 3.846 -1.505 172 HB3 LYS 22 3HB LYS 22 -2.763 3.528 -0.231 173 HG2 LYS 22 2HG LYS 22 -4.531 1.918 -0.034 174 HG3 LYS 22 3HG LYS 22 -4.677 3.041 1.324 175 HD2 LYS 22 2HD LYS 22 -6.463 4.267 0.108 176 HD3 LYS 22 3HD LYS 22 -6.320 3.135 -1.238 177 HE2 LYS 22 2HE LYS 22 -7.014 1.296 0.272 178 HE3 LYS 22 3HE LYS 22 -7.194 2.461 1.583 179 HZ1 LYS 22 3HZ LYS 22 -8.706 2.502 -0.971 180 HZ2 LYS 22 1HZ LYS 22 -8.893 3.591 0.308 181 HZ3 LYS 22 2HZ LYS 22 -9.303 1.972 0.511 182 H PHE 23 H PHE 23 -1.475 5.637 0.752 183 HA PHE 23 HA PHE 23 -1.608 5.130 3.540 184 HB2 PHE 23 2HB PHE 23 0.396 4.770 2.072 185 HB3 PHE 23 3HB PHE 23 0.563 6.511 1.913 186 HD1 PHE 23 HD2 PHE 23 0.551 3.777 4.493 187 HD2 PHE 23 HD1 PHE 23 1.941 7.677 3.432 188 HE1 PHE 23 HE2 PHE 23 2.014 3.794 6.477 189 HE2 PHE 23 HE1 PHE 23 3.398 7.681 5.393 190 HZ PHE 23 HZ PHE 23 3.438 5.753 6.917 191 H SER 24 H SER 24 -1.643 8.118 1.611 192 HA SER 24 HA SER 24 -1.541 10.049 3.633 193 HB2 SER 24 2HB SER 24 -1.384 10.578 1.212 194 HB3 SER 24 3HB SER 24 -3.079 10.153 1.002 195 HG SER 24 HG SER 24 -3.336 12.223 1.365 196 H HIS 25 H HIS 25 -4.295 8.200 2.348 197 HA HIS 25 HA HIS 25 -6.318 9.530 3.871 198 HB2 HIS 25 2HB HIS 25 -6.843 8.412 1.753 199 HB3 HIS 25 3HB HIS 25 -6.300 6.866 2.389 200 HD1 HIS 25 HD1 HIS 25 -9.104 9.389 2.846 201 HD2 HIS 25 HD2 HIS 25 -8.252 5.410 3.684 202 HE1 HIS 25 HE1 HIS 25 -11.241 8.411 3.713 203 HE2 HIS 25 HE2 HIS 25 -10.678 6.040 4.313 204 H GLN 26 H GLN 26 -4.514 6.458 4.246 205 HA GLN 26 HA GLN 26 -4.865 6.461 7.112 206 HB2 GLN 26 2HB GLN 26 -5.986 4.258 7.267 207 HB3 GLN 26 3HB GLN 26 -6.999 5.473 6.496 208 HG2 GLN 26 2HG GLN 26 -6.453 4.507 4.275 209 HG3 GLN 26 3HG GLN 26 -5.466 3.277 5.074 210 HE21 GLN 26 1HE2 GLN 26 -6.500 1.657 6.250 211 HE22 GLN 26 2HE2 GLN 26 -8.182 1.324 6.101 212 H LYS 27 H LYS 27 -3.483 5.075 8.206 213 HA LYS 27 HA LYS 27 -1.022 4.411 6.775 214 HB2 LYS 27 2HB LYS 27 -1.666 4.353 9.755 215 HB3 LYS 27 3HB LYS 27 -0.058 4.246 9.049 216 HG2 LYS 27 2HG LYS 27 -1.858 6.661 8.688 217 HG3 LYS 27 3HG LYS 27 -0.718 6.502 10.025 218 HD2 LYS 27 2HD LYS 27 1.155 6.342 8.443 219 HD3 LYS 27 3HD LYS 27 0.038 6.448 7.077 220 HE2 LYS 27 2HE LYS 27 1.196 8.599 7.578 221 HE3 LYS 27 3HE LYS 27 -0.560 8.721 7.680 222 HZ1 LYS 27 3HZ LYS 27 0.703 9.830 9.493 223 HZ2 LYS 27 1HZ LYS 27 1.175 8.305 10.049 224 HZ3 LYS 27 2HZ LYS 27 -0.463 8.731 10.022 225 H TYR 28 H TYR 28 -3.722 2.727 8.119 226 HA TYR 28 HA TYR 28 -2.337 0.099 8.031 227 HB2 TYR 28 2HB TYR 28 -4.529 0.893 10.012 228 HB3 TYR 28 3HB TYR 28 -3.653 -0.635 9.967 229 HD1 TYR 28 HD2 TYR 28 -1.278 -0.736 10.738 230 HD2 TYR 28 HD1 TYR 28 -3.542 2.880 11.036 231 HE1 TYR 28 HE2 TYR 28 0.373 0.174 12.312 232 HE2 TYR 28 HE1 TYR 28 -1.897 3.783 12.607 233 HH TYR 28 HH TYR 28 -0.205 3.104 14.072 234 H LEU 29 H LEU 29 -3.190 -0.899 6.228 235 HA LEU 29 HA LEU 29 -5.989 -0.529 5.466 236 HB2 LEU 29 2HB LEU 29 -3.764 -2.149 4.180 237 HB3 LEU 29 3HB LEU 29 -5.388 -2.010 3.523 238 HG LEU 29 HG LEU 29 -3.336 0.212 3.796 239 HD11 LEU 29 1HD1 LEU 29 -2.925 -1.281 1.913 240 HD12 LEU 29 2HD1 LEU 29 -3.437 0.308 1.352 241 HD13 LEU 29 3HD1 LEU 29 -4.577 -1.041 1.334 242 HD21 LEU 29 3HD2 LEU 29 -6.213 0.429 2.851 243 HD22 LEU 29 1HD2 LEU 29 -4.992 1.701 2.738 244 HD23 LEU 29 2HD2 LEU 29 -5.531 1.141 4.316 245 H SER 30 H SER 30 -7.575 -2.080 5.467 246 HA SER 30 HA SER 30 -7.227 -4.509 7.068 247 HB2 SER 30 2HB SER 30 -9.683 -3.415 5.626 248 HB3 SER 30 3HB SER 30 -9.680 -4.787 6.734 249 HG SER 30 HG SER 30 -10.069 -3.305 8.188 250 H ALA 31 H ALA 31 -8.268 -6.570 6.083 251 HA ALA 31 HA ALA 31 -6.808 -7.541 3.959 252 HB1 ALA 31 3HB ALA 31 -8.290 -9.489 3.960 253 HB2 ALA 31 1HB ALA 31 -9.499 -8.590 4.891 254 HB3 ALA 31 2HB ALA 31 -7.935 -8.971 5.604 255 HA PRO 32 HA PRO 32 -10.506 -6.727 0.770 256 HB2 PRO 32 2HB PRO 32 -12.079 -4.498 1.388 257 HB3 PRO 32 3HB PRO 32 -12.554 -6.181 1.700 258 HG2 PRO 32 2HG PRO 32 -11.328 -4.186 3.582 259 HG3 PRO 32 3HG PRO 32 -12.678 -5.314 3.859 260 HD2 PRO 32 2HD PRO 32 -10.227 -5.886 4.777 261 HD3 PRO 32 3HD PRO 32 -11.252 -7.170 4.092 262 H GLU 33 H GLU 33 -9.597 -3.642 2.464 263 HA GLU 33 HA GLU 33 -9.274 -2.100 0.118 264 HB2 GLU 33 2HB GLU 33 -8.194 -1.632 2.925 265 HB3 GLU 33 3HB GLU 33 -8.197 -0.416 1.649 266 HG2 GLU 33 2HG GLU 33 -10.677 -1.723 2.817 267 HG3 GLU 33 3HG GLU 33 -10.055 -0.144 3.284 268 H ARG 34 H ARG 34 -6.903 -3.877 2.058 269 HA ARG 34 HA ARG 34 -4.540 -2.966 0.797 270 HB2 ARG 34 2HB ARG 34 -4.611 -4.121 2.998 271 HB3 ARG 34 3HB ARG 34 -5.058 -5.621 2.195 272 HG2 ARG 34 2HG ARG 34 -2.897 -5.727 1.082 273 HG3 ARG 34 3HG ARG 34 -2.455 -4.142 1.714 274 HD2 ARG 34 2HD ARG 34 -3.003 -6.589 3.419 275 HD3 ARG 34 3HD ARG 34 -1.399 -6.021 2.950 276 HE ARG 34 HE ARG 34 -2.250 -3.847 4.138 277 HH11 ARG 34 1HH1 ARG 34 -2.797 -7.098 5.226 278 HH12 ARG 34 2HH1 ARG 34 -2.775 -6.642 6.895 279 HH21 ARG 34 1HH2 ARG 34 -2.217 -3.325 6.282 280 HH22 ARG 34 2HH2 ARG 34 -2.456 -4.548 7.480 281 H ALA 35 H ALA 35 -6.713 -5.672 0.104 282 HA ALA 35 HA ALA 35 -5.236 -6.815 -2.055 283 HB1 ALA 35 3HB ALA 35 -6.903 -8.087 -0.766 284 HB2 ALA 35 1HB ALA 35 -7.281 -8.107 -2.489 285 HB3 ALA 35 2HB ALA 35 -8.191 -7.060 -1.396 286 H HIS 36 H HIS 36 -7.818 -4.374 -1.880 287 HA HIS 36 HA HIS 36 -8.334 -4.090 -4.654 288 HB2 HIS 36 2HB HIS 36 -8.606 -2.019 -2.434 289 HB3 HIS 36 3HB HIS 36 -9.289 -1.856 -4.049 290 HD1 HIS 36 HD1 HIS 36 -10.103 -5.132 -3.750 291 HD2 HIS 36 HD2 HIS 36 -11.333 -1.852 -1.528 292 HE1 HIS 36 HE1 HIS 36 -12.267 -5.805 -2.692 293 HE2 HIS 36 HE2 HIS 36 -13.078 -3.746 -1.502 294 H LEU 37 H LEU 37 -6.142 -2.263 -2.488 295 HA LEU 37 HA LEU 37 -4.997 -0.563 -4.459 296 HB2 LEU 37 2HB LEU 37 -4.909 -0.149 -2.007 297 HB3 LEU 37 3HB LEU 37 -3.834 -1.526 -1.817 298 HG LEU 37 HG LEU 37 -2.125 -0.333 -3.232 299 HD11 LEU 37 1HD1 LEU 37 -3.979 2.058 -3.033 300 HD12 LEU 37 2HD1 LEU 37 -3.597 1.146 -4.496 301 HD13 LEU 37 3HD1 LEU 37 -2.332 2.057 -3.680 302 HD21 LEU 37 3HD2 LEU 37 -2.990 1.153 -0.738 303 HD22 LEU 37 1HD2 LEU 37 -1.397 1.231 -1.499 304 HD23 LEU 37 2HD2 LEU 37 -1.966 -0.281 -0.805 305 H ALA 38 H ALA 38 -4.058 -3.754 -3.214 306 HA ALA 38 HA ALA 38 -1.576 -4.124 -4.432 307 HB1 ALA 38 3HB ALA 38 -2.498 -5.611 -2.695 308 HB2 ALA 38 1HB ALA 38 -1.963 -6.533 -4.103 309 HB3 ALA 38 2HB ALA 38 -3.685 -6.233 -3.841 310 H LYS 39 H LYS 39 -4.784 -5.205 -5.685 311 HA LYS 39 HA LYS 39 -3.769 -6.339 -8.070 312 HB2 LYS 39 2HB LYS 39 -6.081 -6.585 -8.783 313 HB3 LYS 39 3HB LYS 39 -5.940 -6.980 -7.077 314 HG2 LYS 39 2HG LYS 39 -6.854 -4.714 -6.515 315 HG3 LYS 39 3HG LYS 39 -7.084 -4.415 -8.238 316 HD2 LYS 39 2HD LYS 39 -8.420 -6.597 -6.601 317 HD3 LYS 39 3HD LYS 39 -9.182 -5.112 -7.165 318 HE2 LYS 39 2HE LYS 39 -8.106 -7.327 -8.948 319 HE3 LYS 39 3HE LYS 39 -9.804 -7.051 -8.564 320 HZ1 LYS 39 3HZ LYS 39 -9.313 -6.121 -10.694 321 HZ2 LYS 39 1HZ LYS 39 -8.013 -5.234 -10.085 322 HZ3 LYS 39 2HZ LYS 39 -9.589 -4.844 -9.624 323 H ASN 40 H ASN 40 -4.997 -3.041 -7.444 324 HA ASN 40 HA ASN 40 -4.989 -2.132 -10.135 325 HB2 ASN 40 2HB ASN 40 -4.787 -0.622 -7.510 326 HB3 ASN 40 3HB ASN 40 -4.747 0.219 -9.050 327 HD21 ASN 40 1HD2 ASN 40 -6.779 -0.902 -6.645 328 HD22 ASN 40 2HD2 ASN 40 -8.266 -0.840 -7.515 329 H LEU 41 H LEU 41 -2.344 -2.566 -7.886 330 HA LEU 41 HA LEU 41 -0.429 -1.282 -9.768 331 HB2 LEU 41 2HB LEU 41 -0.177 -1.878 -6.799 332 HB3 LEU 41 3HB LEU 41 1.089 -1.159 -7.784 333 HG LEU 41 HG LEU 41 -1.621 0.105 -7.211 334 HD11 LEU 41 1HD1 LEU 41 -0.194 0.068 -5.224 335 HD12 LEU 41 2HD1 LEU 41 -0.398 1.710 -5.829 336 HD13 LEU 41 3HD1 LEU 41 1.111 0.843 -6.128 337 HD21 LEU 41 3HD2 LEU 41 0.760 1.234 -8.724 338 HD22 LEU 41 1HD2 LEU 41 -0.728 2.098 -8.326 339 HD23 LEU 41 2HD2 LEU 41 -0.778 0.730 -9.432 340 H LYS 42 H LYS 42 -1.524 -4.241 -9.693 341 HA LYS 42 HA LYS 42 -0.803 -6.366 -9.968 342 HB2 LYS 42 2HB LYS 42 1.500 -4.787 -11.140 343 HB3 LYS 42 3HB LYS 42 1.566 -6.542 -11.113 344 HG2 LYS 42 2HG LYS 42 0.813 -5.821 -13.264 345 HG3 LYS 42 3HG LYS 42 -0.507 -6.637 -12.448 346 HD2 LYS 42 2HD LYS 42 -1.580 -4.472 -11.978 347 HD3 LYS 42 3HD LYS 42 -0.208 -3.615 -12.687 348 HE2 LYS 42 2HE LYS 42 -0.702 -4.595 -14.882 349 HE3 LYS 42 3HE LYS 42 -2.032 -5.525 -14.194 350 HZ1 LYS 42 3HZ LYS 42 -1.885 -2.562 -14.352 351 HZ2 LYS 42 1HZ LYS 42 -3.149 -3.442 -13.660 352 HZ3 LYS 42 2HZ LYS 42 -2.843 -3.565 -15.315 353 H LEU 43 H LEU 43 -0.045 -4.978 -7.375 354 HA LEU 43 HA LEU 43 2.227 -6.561 -6.391 355 HB2 LEU 43 2HB LEU 43 0.498 -4.452 -5.040 356 HB3 LEU 43 3HB LEU 43 1.852 -5.260 -4.263 357 HG LEU 43 HG LEU 43 2.071 -3.463 -6.708 358 HD11 LEU 43 1HD1 LEU 43 1.427 -2.154 -4.757 359 HD12 LEU 43 2HD1 LEU 43 3.085 -1.797 -5.234 360 HD13 LEU 43 3HD1 LEU 43 2.773 -2.826 -3.833 361 HD21 LEU 43 3HD2 LEU 43 4.257 -4.722 -5.016 362 HD22 LEU 43 1HD2 LEU 43 4.500 -3.562 -6.326 363 HD23 LEU 43 2HD2 LEU 43 3.832 -5.154 -6.675 364 H THR 44 H THR 44 1.778 -7.433 -4.034 365 HA THR 44 HA THR 44 -0.834 -8.852 -3.914 366 HB THR 44 HB THR 44 0.235 -10.621 -2.601 367 HG1 THR 44 HG1 THR 44 2.627 -10.496 -2.408 368 HG21 THR 44 3HG2 THR 44 1.914 -10.052 -5.073 369 HG22 THR 44 1HG2 THR 44 0.371 -10.913 -5.052 370 HG23 THR 44 2HG2 THR 44 1.781 -11.606 -4.250 371 H GLU 45 H GLU 45 -1.559 -9.286 -1.649 372 HA GLU 45 HA GLU 45 -1.640 -6.967 -0.009 373 HB2 GLU 45 2HB GLU 45 -2.305 -9.825 0.832 374 HB3 GLU 45 3HB GLU 45 -2.746 -8.365 1.709 375 HG2 GLU 45 2HG GLU 45 -4.703 -9.065 0.587 376 HG3 GLU 45 3HG GLU 45 -4.101 -7.672 -0.306 377 H THR 46 H THR 46 0.503 -9.733 -0.037 378 HA THR 46 HA THR 46 1.827 -9.393 2.441 379 HB THR 46 HB THR 46 2.895 -10.547 -0.182 380 HG1 THR 46 HG1 THR 46 2.144 -12.489 0.601 381 HG21 THR 46 3HG2 THR 46 4.773 -10.025 1.365 382 HG22 THR 46 1HG2 THR 46 4.545 -11.770 1.210 383 HG23 THR 46 2HG2 THR 46 3.970 -10.929 2.650 384 H GLN 47 H GLN 47 2.742 -8.293 -0.846 385 HA GLN 47 HA GLN 47 5.041 -6.811 -0.178 386 HB2 GLN 47 2HB GLN 47 3.148 -6.452 -2.536 387 HB3 GLN 47 3HB GLN 47 4.761 -5.748 -2.425 388 HG2 GLN 47 2HG GLN 47 5.754 -8.000 -2.394 389 HG3 GLN 47 3HG GLN 47 4.147 -8.720 -2.479 390 HE21 GLN 47 1HE2 GLN 47 6.577 -6.942 -4.242 391 HE22 GLN 47 2HE2 GLN 47 5.905 -7.211 -5.804 392 H VAL 48 H VAL 48 1.697 -5.664 -0.745 393 HA VAL 48 HA VAL 48 2.085 -2.921 -0.253 394 HB VAL 48 HB VAL 48 -0.444 -4.609 0.082 395 HG11 VAL 48 1HG1 VAL 48 -0.726 -2.535 1.363 396 HG12 VAL 48 2HG1 VAL 48 -1.737 -2.492 -0.080 397 HG13 VAL 48 3HG1 VAL 48 -0.230 -1.572 -0.030 398 HG21 VAL 48 3HG2 VAL 48 0.466 -4.618 -2.209 399 HG22 VAL 48 1HG2 VAL 48 0.474 -2.853 -2.237 400 HG23 VAL 48 2HG2 VAL 48 -1.057 -3.731 -2.153 401 H LYS 49 H LYS 49 1.339 -5.587 2.017 402 HA LYS 49 HA LYS 49 0.974 -3.962 4.336 403 HB2 LYS 49 2HB LYS 49 0.183 -6.317 4.189 404 HB3 LYS 49 3HB LYS 49 1.847 -6.880 4.186 405 HG2 LYS 49 2HG LYS 49 2.154 -5.972 6.473 406 HG3 LYS 49 3HG LYS 49 0.489 -5.393 6.463 407 HD2 LYS 49 2HD LYS 49 0.532 -7.430 7.736 408 HD3 LYS 49 3HD LYS 49 -0.275 -7.785 6.212 409 HE2 LYS 49 2HE LYS 49 2.656 -8.397 6.723 410 HE3 LYS 49 3HE LYS 49 1.361 -9.544 7.043 411 HZ1 LYS 49 3HZ LYS 49 0.769 -9.449 4.690 412 HZ2 LYS 49 1HZ LYS 49 2.360 -9.972 4.918 413 HZ3 LYS 49 2HZ LYS 49 2.061 -8.397 4.397 414 H ILE 50 H ILE 50 3.860 -5.565 2.944 415 HA ILE 50 HA ILE 50 5.748 -4.927 4.950 416 HB ILE 50 HB ILE 50 6.182 -5.258 1.941 417 HG12 ILE 50 2HG1 ILE 50 6.675 -7.250 4.211 418 HG13 ILE 50 3HG1 ILE 50 5.277 -7.269 3.146 419 HG21 ILE 50 1HG2 ILE 50 8.596 -5.612 2.446 420 HG22 ILE 50 2HG2 ILE 50 8.298 -5.204 4.138 421 HG23 ILE 50 3HG2 ILE 50 8.068 -3.988 2.884 422 HD11 ILE 50 3HD1 ILE 50 6.892 -8.935 2.482 423 HD12 ILE 50 1HD1 ILE 50 8.141 -7.702 2.304 424 HD13 ILE 50 2HD1 ILE 50 6.738 -7.704 1.229 425 H TRP 51 H TRP 51 4.873 -3.146 1.962 426 HA TRP 51 HA TRP 51 6.548 -0.930 2.302 427 HB2 TRP 51 2HB TRP 51 5.324 -1.470 0.181 428 HB3 TRP 51 3HB TRP 51 3.829 -0.922 0.927 429 HD1 TRP 51 HD1 TRP 51 7.105 0.463 -0.562 430 HE1 TRP 51 HE1 TRP 51 6.832 2.961 -1.011 431 HE3 TRP 51 HE3 TRP 51 2.659 1.218 1.791 432 HZ2 TRP 51 HZ2 TRP 51 4.990 5.005 -0.431 433 HZ3 TRP 51 HZ3 TRP 51 1.707 3.477 1.823 434 HH2 TRP 51 HH2 TRP 51 2.853 5.340 0.734 435 H PHE 52 H PHE 52 3.051 -1.170 3.181 436 HA PHE 52 HA PHE 52 2.797 1.331 4.415 437 HB2 PHE 52 2HB PHE 52 1.228 -1.225 4.534 438 HB3 PHE 52 3HB PHE 52 0.879 -0.027 5.773 439 HD1 PHE 52 HD1 PHE 52 1.164 -0.358 2.034 440 HD2 PHE 52 HD2 PHE 52 -0.658 1.701 5.303 441 HE1 PHE 52 HE1 PHE 52 -0.250 0.895 0.470 442 HE2 PHE 52 HE2 PHE 52 -2.072 2.944 3.732 443 HZ PHE 52 HZ PHE 52 -1.868 2.551 1.310 444 H GLN 53 H GLN 53 3.865 -1.735 5.846 445 HA GLN 53 HA GLN 53 3.958 -0.970 8.572 446 HB2 GLN 53 2HB GLN 53 4.054 -3.317 7.800 447 HB3 GLN 53 3HB GLN 53 5.612 -3.023 7.040 448 HG2 GLN 53 2HG GLN 53 6.610 -2.617 9.277 449 HG3 GLN 53 3HG GLN 53 5.050 -2.954 10.025 450 HE21 GLN 53 1HE2 GLN 53 4.446 -5.178 8.173 451 HE22 GLN 53 2HE2 GLN 53 5.468 -6.476 8.654 452 H ASN 54 H ASN 54 6.566 -1.119 6.137 453 HA ASN 54 HA ASN 54 8.663 -0.007 7.693 454 HB2 ASN 54 2HB ASN 54 8.313 -0.235 4.672 455 HB3 ASN 54 3HB ASN 54 9.799 0.321 5.430 456 HD21 ASN 54 1HD2 ASN 54 7.841 -2.368 6.716 457 HD22 ASN 54 2HD2 ASN 54 9.004 -3.581 6.350 458 H ARG 55 H ARG 55 6.445 1.405 5.356 459 HA ARG 55 HA ARG 55 7.526 3.976 5.105 460 HB2 ARG 55 2HB ARG 55 5.635 2.728 3.710 461 HB3 ARG 55 3HB ARG 55 4.537 3.501 4.841 462 HG2 ARG 55 2HG ARG 55 4.648 4.895 2.921 463 HG3 ARG 55 3HG ARG 55 5.569 5.716 4.186 464 HD2 ARG 55 2HD ARG 55 7.677 4.879 3.207 465 HD3 ARG 55 3HD ARG 55 6.760 4.007 1.954 466 HE ARG 55 HE ARG 55 6.105 6.768 1.960 467 HH11 ARG 55 1HH1 ARG 55 8.613 4.596 0.950 468 HH12 ARG 55 2HH1 ARG 55 9.200 5.691 -0.245 469 HH21 ARG 55 1HH2 ARG 55 6.855 8.107 0.400 470 HH22 ARG 55 2HH2 ARG 55 8.219 7.644 -0.552 471 H ARG 56 H ARG 56 4.926 2.742 7.221 472 HA ARG 56 HA ARG 56 4.305 5.180 8.527 473 HB2 ARG 56 2HB ARG 56 2.863 3.112 8.447 474 HB3 ARG 56 3HB ARG 56 3.964 2.320 9.558 475 HG2 ARG 56 2HG ARG 56 2.564 4.891 10.322 476 HG3 ARG 56 3HG ARG 56 1.739 3.341 10.451 477 HD2 ARG 56 2HD ARG 56 3.495 2.529 11.991 478 HD3 ARG 56 3HD ARG 56 4.337 4.076 11.857 479 HE ARG 56 HE ARG 56 1.736 4.594 12.709 480 HH11 ARG 56 1HH1 ARG 56 4.613 3.104 13.961 481 HH12 ARG 56 2HH1 ARG 56 4.117 3.299 15.605 482 HH21 ARG 56 1HH2 ARG 56 1.138 4.838 14.792 483 HH22 ARG 56 2HH2 ARG 56 2.168 4.285 16.074 484 H TYR 57 H TYR 57 6.634 2.577 9.244 485 HA TYR 57 HA TYR 57 7.696 3.642 11.639 486 HB2 TYR 57 2HB TYR 57 8.095 1.316 10.934 487 HB3 TYR 57 3HB TYR 57 9.004 1.878 9.537 488 HD1 TYR 57 HD1 TYR 57 9.019 2.019 13.283 489 HD2 TYR 57 HD2 TYR 57 11.378 2.087 9.713 490 HE1 TYR 57 HE1 TYR 57 11.065 1.982 14.634 491 HE2 TYR 57 HE2 TYR 57 13.425 2.051 11.071 492 HH TYR 57 HH TYR 57 13.394 1.392 14.438 493 H LYS 58 H LYS 58 8.287 4.437 8.260 494 HA LYS 58 HA LYS 58 10.705 5.995 8.850 495 HB2 LYS 58 2HB LYS 58 9.413 5.183 6.225 496 HB3 LYS 58 3HB LYS 58 10.768 6.310 6.314 497 HG2 LYS 58 2HG LYS 58 12.046 4.533 7.582 498 HG3 LYS 58 3HG LYS 58 10.740 3.411 7.198 499 HD2 LYS 58 2HD LYS 58 11.201 3.606 4.812 500 HD3 LYS 58 3HD LYS 58 12.371 4.900 5.099 501 HE2 LYS 58 2HE LYS 58 13.780 3.298 6.380 502 HE3 LYS 58 3HE LYS 58 12.632 2.014 6.001 503 HZ1 LYS 58 3HZ LYS 58 14.501 1.966 4.510 504 HZ2 LYS 58 1HZ LYS 58 14.229 3.566 4.043 505 HZ3 LYS 58 2HZ LYS 58 13.103 2.367 3.655 506 H THR 59 H THR 59 7.378 6.674 8.744 507 HA THR 59 HA THR 59 7.575 9.467 7.980 508 HB THR 59 HB THR 59 5.266 9.708 8.906 509 HG1 THR 59 HG1 THR 59 5.923 7.319 10.100 510 HG21 THR 59 3HG2 THR 59 5.542 8.919 6.586 511 HG22 THR 59 1HG2 THR 59 4.116 8.207 7.345 512 HG23 THR 59 2HG2 THR 59 5.584 7.252 7.159 513 H LYS 60 H LYS 60 9.154 8.190 10.447 514 HA LYS 60 HA LYS 60 8.542 9.859 12.662 515 HB2 LYS 60 2HB LYS 60 11.101 8.402 11.900 516 HB3 LYS 60 3HB LYS 60 10.904 9.276 13.416 517 HG2 LYS 60 2HG LYS 60 9.101 7.779 14.103 518 HG3 LYS 60 3HG LYS 60 9.150 6.956 12.545 519 HD2 LYS 60 2HD LYS 60 10.277 5.536 14.108 520 HD3 LYS 60 3HD LYS 60 11.518 6.243 13.080 521 HE2 LYS 60 2HE LYS 60 10.830 7.269 15.853 522 HE3 LYS 60 3HE LYS 60 12.109 6.107 15.524 523 HZ1 LYS 60 3HZ LYS 60 13.027 8.285 15.720 524 HZ2 LYS 60 1HZ LYS 60 11.986 8.908 14.547 525 HZ3 LYS 60 2HZ LYS 60 13.174 7.788 14.115 526 H ARG 61 H ARG 61 8.188 11.887 11.784 527 HA ARG 61 HA ARG 61 10.447 13.659 11.373 528 HB2 ARG 61 2HB ARG 61 9.961 12.665 9.075 529 HB3 ARG 61 3HB ARG 61 8.343 13.344 9.168 530 HG2 ARG 61 2HG ARG 61 9.719 14.776 7.781 531 HG3 ARG 61 3HG ARG 61 9.345 15.637 9.279 532 HD2 ARG 61 2HD ARG 61 11.705 15.936 8.622 533 HD3 ARG 61 3HD ARG 61 11.582 15.086 10.170 534 HE ARG 61 HE ARG 61 11.733 13.249 8.001 535 HH11 ARG 61 1HH1 ARG 61 13.785 15.385 9.826 536 HH12 ARG 61 2HH1 ARG 61 15.181 14.398 9.568 537 HH21 ARG 61 1HH2 ARG 61 13.523 12.039 7.689 538 HH22 ARG 61 2HH2 ARG 61 15.041 12.528 8.364 539 H LYS 62 H LYS 62 6.948 13.215 11.181 540 HA LYS 62 HA LYS 62 6.464 15.737 12.678 541 HB2 LYS 62 2HB LYS 62 5.442 15.758 10.447 542 HB3 LYS 62 3HB LYS 62 4.689 14.197 10.739 543 HG2 LYS 62 2HG LYS 62 3.243 15.199 12.462 544 HG3 LYS 62 3HG LYS 62 4.023 16.764 12.219 545 HD2 LYS 62 2HD LYS 62 1.863 16.666 11.040 546 HD3 LYS 62 3HD LYS 62 3.196 16.840 9.897 547 HE2 LYS 62 2HE LYS 62 3.085 14.383 9.454 548 HE3 LYS 62 3HE LYS 62 1.703 14.279 10.547 549 HZ1 LYS 62 3HZ LYS 62 1.012 14.410 8.233 550 HZ2 LYS 62 1HZ LYS 62 1.811 15.888 8.056 551 HZ3 LYS 62 2HZ LYS 62 0.485 15.765 9.092 552 H GLN 63 H GLN 63 5.315 15.580 14.613 553 HA GLN 63 HA GLN 63 5.603 13.348 16.209 554 HB2 GLN 63 2HB GLN 63 3.544 15.569 16.542 555 HB3 GLN 63 3HB GLN 63 3.975 14.414 17.803 556 HG2 GLN 63 2HG GLN 63 6.325 15.286 17.717 557 HG3 GLN 63 3HG GLN 63 5.783 16.510 16.566 558 HE21 GLN 63 1HE2 GLN 63 4.413 18.189 17.309 559 HE22 GLN 63 2HE2 GLN 63 4.229 18.538 18.991 560 H LEU 64 H LEU 64 4.399 11.616 16.863 561 HA LEU 64 HA LEU 64 2.618 10.420 15.027 562 HB2 LEU 64 2HB LEU 64 4.208 9.216 16.575 563 HB3 LEU 64 3HB LEU 64 3.128 9.586 17.909 564 HG LEU 64 HG LEU 64 1.327 8.242 16.767 565 HD11 LEU 64 1HD1 LEU 64 3.516 7.483 14.815 566 HD12 LEU 64 2HD1 LEU 64 2.076 8.441 14.464 567 HD13 LEU 64 3HD1 LEU 64 1.912 6.747 14.909 568 HD21 LEU 64 3HD2 LEU 64 2.685 7.214 18.525 569 HD22 LEU 64 1HD2 LEU 64 3.882 6.703 17.331 570 HD23 LEU 64 2HD2 LEU 64 2.248 6.030 17.297 571 H SER 65 H SER 65 2.024 12.499 17.717 572 HA SER 65 HA SER 65 -0.649 12.030 18.386 573 HB2 SER 65 2HB SER 65 0.758 13.614 19.634 574 HB3 SER 65 3HB SER 65 0.852 14.683 18.235 575 HG SER 65 HG SER 65 -1.639 13.975 19.374 576 H SER 66 H SER 66 0.685 13.594 15.507 577 HA SER 66 HA SER 66 -1.745 14.692 14.477 578 HB2 SER 66 2HB SER 66 -0.541 15.039 12.405 579 HB3 SER 66 3HB SER 66 0.580 15.374 13.723 580 HG SER 66 HG SER 66 1.783 13.758 13.089 581 H GLU 67 H GLU 67 -0.073 11.577 14.011 582 HA GLU 67 HA GLU 67 -1.938 10.463 12.141 583 HB2 GLU 67 2HB GLU 67 0.383 9.614 12.341 584 HB3 GLU 67 3HB GLU 67 0.053 9.062 13.981 585 HG2 GLU 67 2HG GLU 67 -1.717 7.533 13.025 586 HG3 GLU 67 3HG GLU 67 -1.189 8.013 11.417 587 H LEU 68 H LEU 68 -1.668 10.436 15.654 588 HA LEU 68 HA LEU 68 -3.583 8.323 16.065 589 HB2 LEU 68 2HB LEU 68 -1.487 9.051 17.529 590 HB3 LEU 68 3HB LEU 68 -2.624 10.141 18.293 591 HG LEU 68 HG LEU 68 -2.932 7.107 18.181 592 HD11 LEU 68 1HD1 LEU 68 -2.279 7.073 20.538 593 HD12 LEU 68 2HD1 LEU 68 -1.953 8.808 20.484 594 HD13 LEU 68 3HD1 LEU 68 -0.990 7.694 19.510 595 HD21 LEU 68 3HD2 LEU 68 -4.522 9.120 19.820 596 HD22 LEU 68 1HD2 LEU 68 -4.686 7.362 19.887 597 HD23 LEU 68 2HD2 LEU 68 -5.112 8.230 18.415 598 H GLY 69 H GLY 69 -5.525 9.027 15.171 599 HA2 GLY 69 2HA GLY 69 -6.892 11.452 16.101 600 HA3 GLY 69 3HA GLY 69 -7.479 10.295 14.922 Start of MODEL 10 1 H1 MET 1 1H MET 1 30.815 -18.222 6.452 2 H2 MET 1 2H MET 1 30.890 -16.545 6.615 3 H3 MET 1 3H MET 1 31.544 -17.293 5.246 4 HA MET 1 HA MET 1 29.380 -18.030 4.553 5 HB2 MET 1 2HB MET 1 28.388 -16.492 6.994 6 HB3 MET 1 3HB MET 1 27.342 -17.154 5.741 7 HG2 MET 1 2HG MET 1 28.111 -19.429 6.319 8 HG3 MET 1 3HG MET 1 29.120 -18.752 7.600 9 HE1 MET 1 3HE MET 1 26.144 -20.507 9.553 10 HE2 MET 1 1HE MET 1 27.892 -20.456 9.332 11 HE3 MET 1 2HE MET 1 26.857 -21.063 8.039 12 H GLY 2 H GLY 2 29.253 -16.857 2.712 13 HA2 GLY 2 2HA GLY 2 29.798 -13.979 2.668 14 HA3 GLY 2 3HA GLY 2 29.590 -15.041 1.285 15 H HIS 3 H HIS 3 27.789 -13.509 3.922 16 HA HIS 3 HA HIS 3 25.206 -13.997 2.675 17 HB2 HIS 3 2HB HIS 3 25.639 -14.310 5.139 18 HB3 HIS 3 3HB HIS 3 25.849 -12.574 5.294 19 HD1 HIS 3 HD1 HIS 3 23.208 -15.194 4.745 20 HD2 HIS 3 HD2 HIS 3 23.446 -11.091 5.359 21 HE1 HIS 3 HE1 HIS 3 20.856 -14.434 5.163 22 HE2 HIS 3 HE2 HIS 3 21.015 -11.942 5.372 23 H HIS 4 H HIS 4 27.484 -11.468 2.433 24 HA HIS 4 HA HIS 4 25.994 -9.121 2.714 25 HB2 HIS 4 2HB HIS 4 28.481 -9.736 1.121 26 HB3 HIS 4 3HB HIS 4 27.768 -8.131 1.046 27 HD1 HIS 4 HD1 HIS 4 29.650 -10.394 3.351 28 HD2 HIS 4 HD2 HIS 4 28.034 -6.579 3.385 29 HE1 HIS 4 HE1 HIS 4 30.591 -9.290 5.383 30 HE2 HIS 4 HE2 HIS 4 29.760 -6.926 5.263 31 H HIS 5 H HIS 5 26.052 -11.267 -0.095 32 HA HIS 5 HA HIS 5 24.839 -9.492 -1.941 33 HB2 HIS 5 2HB HIS 5 24.346 -11.422 -3.317 34 HB3 HIS 5 3HB HIS 5 25.944 -11.619 -2.627 35 HD1 HIS 5 HD1 HIS 5 26.031 -13.375 -0.506 36 HD2 HIS 5 HD2 HIS 5 22.702 -13.585 -2.977 37 HE1 HIS 5 HE1 HIS 5 24.948 -15.576 -0.003 38 HE2 HIS 5 HE2 HIS 5 22.860 -15.608 -1.391 39 H HIS 6 H HIS 6 22.884 -8.578 -1.835 40 HA HIS 6 HA HIS 6 20.506 -9.950 -0.912 41 HB2 HIS 6 2HB HIS 6 21.593 -9.201 1.238 42 HB3 HIS 6 3HB HIS 6 21.511 -7.537 0.671 43 HD1 HIS 6 HD1 HIS 6 19.395 -6.293 1.261 44 HD2 HIS 6 HD2 HIS 6 18.920 -10.403 1.612 45 HE1 HIS 6 HE1 HIS 6 17.142 -6.624 2.297 46 HE2 HIS 6 HE2 HIS 6 16.965 -9.099 2.667 47 H HIS 7 H HIS 7 18.664 -9.012 -1.698 48 HA HIS 7 HA HIS 7 18.936 -6.841 -3.626 49 HB2 HIS 7 2HB HIS 7 16.667 -8.770 -3.012 50 HB3 HIS 7 3HB HIS 7 16.553 -7.494 -4.221 51 HD1 HIS 7 HD1 HIS 7 17.861 -10.918 -3.700 52 HD2 HIS 7 HD2 HIS 7 18.238 -7.892 -6.521 53 HE1 HIS 7 HE1 HIS 7 18.885 -11.994 -5.715 54 HE2 HIS 7 HE2 HIS 7 19.227 -10.127 -7.344 55 H HIS 8 H HIS 8 17.818 -4.900 -3.540 56 HA HIS 8 HA HIS 8 16.221 -4.263 -1.123 57 HB2 HIS 8 2HB HIS 8 16.918 -1.809 -1.685 58 HB3 HIS 8 3HB HIS 8 18.093 -2.862 -0.914 59 HD1 HIS 8 HD1 HIS 8 20.330 -3.042 -2.054 60 HD2 HIS 8 HD2 HIS 8 17.446 -1.453 -4.571 61 HE1 HIS 8 HE1 HIS 8 21.562 -2.277 -4.093 62 HE2 HIS 8 HE2 HIS 8 19.769 -1.511 -5.668 63 H SER 9 H SER 9 14.317 -5.036 -2.090 64 HA SER 9 HA SER 9 13.493 -4.415 -4.747 65 HB2 SER 9 2HB SER 9 12.792 -6.495 -3.643 66 HB3 SER 9 3HB SER 9 11.893 -5.581 -2.432 67 HG SER 9 HG SER 9 11.076 -6.403 -4.818 68 H HIS 10 H HIS 10 13.131 -2.287 -5.229 69 HA HIS 10 HA HIS 10 11.222 -0.716 -3.586 70 HB2 HIS 10 2HB HIS 10 12.994 0.273 -5.857 71 HB3 HIS 10 3HB HIS 10 12.062 1.264 -4.739 72 HD1 HIS 10 HD1 HIS 10 15.395 0.300 -5.328 73 HD2 HIS 10 HD2 HIS 10 13.102 0.657 -1.888 74 HE1 HIS 10 HE1 HIS 10 17.024 0.530 -3.446 75 HE2 HIS 10 HE2 HIS 10 15.621 0.886 -1.402 76 H MET 11 H MET 11 9.174 -0.443 -4.338 77 HA MET 11 HA MET 11 8.194 -1.339 -6.828 78 HB2 MET 11 2HB MET 11 7.027 0.742 -4.932 79 HB3 MET 11 3HB MET 11 6.149 0.006 -6.265 80 HG2 MET 11 2HG MET 11 5.461 -1.077 -4.245 81 HG3 MET 11 3HG MET 11 6.458 -2.221 -5.145 82 HE1 MET 11 3HE MET 11 5.696 -2.458 -1.955 83 HE2 MET 11 1HE MET 11 7.242 -3.015 -1.322 84 HE3 MET 11 2HE MET 11 6.616 -3.683 -2.831 85 H SER 12 H SER 12 7.057 0.201 -8.437 86 HA SER 12 HA SER 12 9.012 1.893 -9.718 87 HB2 SER 12 2HB SER 12 7.359 0.698 -11.095 88 HB3 SER 12 3HB SER 12 6.035 1.540 -10.294 89 HG SER 12 HG SER 12 6.437 2.549 -12.230 90 H HIS 13 H HIS 13 8.863 4.255 -10.035 91 HA HIS 13 HA HIS 13 8.471 5.622 -7.631 92 HB2 HIS 13 2HB HIS 13 10.004 6.448 -9.383 93 HB3 HIS 13 3HB HIS 13 8.632 6.837 -10.418 94 HD1 HIS 13 HD1 HIS 13 9.950 7.820 -6.971 95 HD2 HIS 13 HD2 HIS 13 7.735 9.415 -10.096 96 HE1 HIS 13 HE1 HIS 13 9.524 10.205 -6.344 97 HE2 HIS 13 HE2 HIS 13 8.326 11.188 -8.319 98 H THR 14 H THR 14 6.339 5.677 -10.538 99 HA THR 14 HA THR 14 4.355 7.412 -9.481 100 HB THR 14 HB THR 14 3.952 5.234 -11.589 101 HG1 THR 14 HG1 THR 14 4.459 6.907 -13.080 102 HG21 THR 14 3HG2 THR 14 2.138 6.684 -12.438 103 HG22 THR 14 1HG2 THR 14 2.421 7.828 -11.129 104 HG23 THR 14 2HG2 THR 14 1.816 6.207 -10.769 105 H GLN 15 H GLN 15 4.739 3.892 -9.402 106 HA GLN 15 HA GLN 15 2.264 3.129 -8.280 107 HB2 GLN 15 2HB GLN 15 3.785 1.581 -9.414 108 HB3 GLN 15 3HB GLN 15 5.000 1.823 -8.167 109 HG2 GLN 15 2HG GLN 15 3.497 0.740 -6.514 110 HG3 GLN 15 3HG GLN 15 2.310 0.469 -7.796 111 HE21 GLN 15 1HE2 GLN 15 2.447 -1.775 -7.562 112 HE22 GLN 15 2HE2 GLN 15 3.818 -2.673 -8.082 113 H VAL 16 H VAL 16 5.404 3.814 -6.693 114 HA VAL 16 HA VAL 16 4.655 3.490 -4.013 115 HB VAL 16 HB VAL 16 6.744 5.422 -5.158 116 HG11 VAL 16 1HG1 VAL 16 6.462 4.420 -2.291 117 HG12 VAL 16 2HG1 VAL 16 6.162 6.067 -2.850 118 HG13 VAL 16 3HG1 VAL 16 7.793 5.402 -2.913 119 HG21 VAL 16 3HG2 VAL 16 7.197 3.074 -5.765 120 HG22 VAL 16 1HG2 VAL 16 7.105 2.597 -4.068 121 HG23 VAL 16 2HG2 VAL 16 8.400 3.663 -4.622 122 H ILE 17 H ILE 17 4.493 6.352 -6.142 123 HA ILE 17 HA ILE 17 3.421 8.225 -4.348 124 HB ILE 17 HB ILE 17 3.136 7.968 -7.370 125 HG12 ILE 17 2HG1 ILE 17 4.851 9.864 -5.687 126 HG13 ILE 17 3HG1 ILE 17 5.435 8.411 -6.484 127 HG21 ILE 17 1HG2 ILE 17 1.201 9.260 -6.598 128 HG22 ILE 17 2HG2 ILE 17 2.331 10.310 -7.450 129 HG23 ILE 17 3HG2 ILE 17 2.256 10.343 -5.687 130 HD11 ILE 17 3HD1 ILE 17 6.031 10.386 -7.731 131 HD12 ILE 17 1HD1 ILE 17 4.338 10.866 -7.848 132 HD13 ILE 17 2HD1 ILE 17 4.901 9.403 -8.660 133 H GLU 18 H GLU 18 1.740 5.781 -6.372 134 HA GLU 18 HA GLU 18 -0.932 6.497 -5.731 135 HB2 GLU 18 2HB GLU 18 0.104 3.714 -6.427 136 HB3 GLU 18 3HB GLU 18 -1.567 4.258 -6.544 137 HG2 GLU 18 2HG GLU 18 0.758 5.257 -8.211 138 HG3 GLU 18 3HG GLU 18 -0.477 4.125 -8.741 139 H LEU 19 H LEU 19 1.278 4.113 -4.304 140 HA LEU 19 HA LEU 19 -0.287 3.165 -2.176 141 HB2 LEU 19 2HB LEU 19 2.721 3.479 -2.481 142 HB3 LEU 19 3HB LEU 19 1.987 2.630 -1.133 143 HG LEU 19 HG LEU 19 1.539 1.765 -4.015 144 HD11 LEU 19 1HD1 LEU 19 3.696 0.747 -2.141 145 HD12 LEU 19 2HD1 LEU 19 3.947 1.690 -3.614 146 HD13 LEU 19 3HD1 LEU 19 3.279 0.064 -3.717 147 HD21 LEU 19 3HD2 LEU 19 0.908 -0.384 -3.017 148 HD22 LEU 19 1HD2 LEU 19 -0.095 0.918 -2.379 149 HD23 LEU 19 2HD2 LEU 19 1.212 0.251 -1.398 150 H GLU 20 H GLU 20 1.760 6.081 -2.448 151 HA GLU 20 HA GLU 20 1.587 6.893 0.295 152 HB2 GLU 20 2HB GLU 20 2.484 8.351 -2.212 153 HB3 GLU 20 3HB GLU 20 2.476 9.126 -0.630 154 HG2 GLU 20 2HG GLU 20 4.080 7.483 0.213 155 HG3 GLU 20 3HG GLU 20 4.050 6.629 -1.329 156 H ARG 21 H ARG 21 -0.273 7.697 -2.634 157 HA ARG 21 HA ARG 21 -1.833 9.774 -1.468 158 HB2 ARG 21 2HB ARG 21 -2.472 7.981 -3.849 159 HB3 ARG 21 3HB ARG 21 -3.437 9.377 -3.372 160 HG2 ARG 21 2HG ARG 21 -1.299 10.772 -3.650 161 HG3 ARG 21 3HG ARG 21 -0.601 9.358 -4.437 162 HD2 ARG 21 2HD ARG 21 -3.079 10.862 -5.343 163 HD3 ARG 21 3HD ARG 21 -1.478 10.984 -6.065 164 HE ARG 21 HE ARG 21 -1.715 8.636 -6.756 165 HH11 ARG 21 1HH1 ARG 21 -4.666 10.208 -5.846 166 HH12 ARG 21 2HH1 ARG 21 -5.613 9.324 -6.986 167 HH21 ARG 21 1HH2 ARG 21 -2.959 7.554 -8.230 168 HH22 ARG 21 2HH2 ARG 21 -4.662 7.842 -8.316 169 H LYS 22 H LYS 22 -2.165 6.280 -1.516 170 HA LYS 22 HA LYS 22 -4.721 6.180 -0.174 171 HB2 LYS 22 2HB LYS 22 -3.844 4.356 -1.654 172 HB3 LYS 22 3HB LYS 22 -2.555 4.049 -0.500 173 HG2 LYS 22 2HG LYS 22 -4.305 2.371 -0.291 174 HG3 LYS 22 3HG LYS 22 -4.215 3.343 1.181 175 HD2 LYS 22 2HD LYS 22 -6.197 4.631 0.490 176 HD3 LYS 22 3HD LYS 22 -6.265 3.756 -1.043 177 HE2 LYS 22 2HE LYS 22 -6.836 1.696 0.081 178 HE3 LYS 22 3HE LYS 22 -6.515 2.404 1.663 179 HZ1 LYS 22 3HZ LYS 22 -8.870 2.264 1.222 180 HZ2 LYS 22 1HZ LYS 22 -8.701 3.211 -0.169 181 HZ3 LYS 22 2HZ LYS 22 -8.388 3.877 1.351 182 H PHE 23 H PHE 23 -1.323 5.939 0.767 183 HA PHE 23 HA PHE 23 -1.575 5.286 3.489 184 HB2 PHE 23 2HB PHE 23 0.488 5.028 2.095 185 HB3 PHE 23 3HB PHE 23 0.686 6.773 2.093 186 HD1 PHE 23 HD2 PHE 23 0.450 3.863 4.443 187 HD2 PHE 23 HD1 PHE 23 2.060 7.758 3.759 188 HE1 PHE 23 HE2 PHE 23 1.791 3.656 6.478 189 HE2 PHE 23 HE1 PHE 23 3.407 7.547 5.797 190 HZ PHE 23 HZ PHE 23 3.277 5.500 7.163 191 H SER 24 H SER 24 -1.333 8.465 1.898 192 HA SER 24 HA SER 24 -1.006 10.060 4.203 193 HB2 SER 24 2HB SER 24 -1.520 11.964 2.677 194 HB3 SER 24 3HB SER 24 -0.356 10.842 1.976 195 HG SER 24 HG SER 24 -1.668 10.643 0.372 196 H HIS 25 H HIS 25 -3.898 8.720 2.740 197 HA HIS 25 HA HIS 25 -5.660 10.340 4.452 198 HB2 HIS 25 2HB HIS 25 -6.205 8.284 2.282 199 HB3 HIS 25 3HB HIS 25 -7.484 8.940 3.301 200 HD1 HIS 25 HD1 HIS 25 -8.530 11.072 2.512 201 HD2 HIS 25 HD2 HIS 25 -4.843 10.403 0.724 202 HE1 HIS 25 HE1 HIS 25 -8.276 12.881 0.802 203 HE2 HIS 25 HE2 HIS 25 -6.113 12.369 -0.360 204 H GLN 26 H GLN 26 -4.492 6.992 4.143 205 HA GLN 26 HA GLN 26 -5.218 6.518 6.943 206 HB2 GLN 26 2HB GLN 26 -6.337 4.395 6.506 207 HB3 GLN 26 3HB GLN 26 -7.166 5.710 5.678 208 HG2 GLN 26 2HG GLN 26 -6.039 5.017 3.549 209 HG3 GLN 26 3HG GLN 26 -5.327 3.655 4.429 210 HE21 GLN 26 1HE2 GLN 26 -6.671 1.963 5.067 211 HE22 GLN 26 2HE2 GLN 26 -8.260 1.754 4.447 212 H LYS 27 H LYS 27 -3.700 5.475 7.999 213 HA LYS 27 HA LYS 27 -1.221 4.729 6.673 214 HB2 LYS 27 2HB LYS 27 -1.958 4.656 9.628 215 HB3 LYS 27 3HB LYS 27 -0.325 4.568 8.962 216 HG2 LYS 27 2HG LYS 27 -2.206 6.955 8.815 217 HG3 LYS 27 3HG LYS 27 -0.780 6.808 9.850 218 HD2 LYS 27 2HD LYS 27 0.714 6.912 7.977 219 HD3 LYS 27 3HD LYS 27 -0.586 6.652 6.812 220 HE2 LYS 27 2HE LYS 27 0.147 8.987 6.789 221 HE3 LYS 27 3HE LYS 27 -1.520 8.870 7.352 222 HZ1 LYS 27 3HZ LYS 27 -0.245 10.414 8.681 223 HZ2 LYS 27 1HZ LYS 27 0.878 9.210 9.064 224 HZ3 LYS 27 2HZ LYS 27 -0.712 9.093 9.624 225 H TYR 28 H TYR 28 -3.973 3.115 8.019 226 HA TYR 28 HA TYR 28 -2.723 0.445 7.702 227 HB2 TYR 28 2HB TYR 28 -5.008 1.276 9.539 228 HB3 TYR 28 3HB TYR 28 -4.418 -0.374 9.344 229 HD1 TYR 28 HD2 TYR 28 -2.211 -1.031 10.274 230 HD2 TYR 28 HD1 TYR 28 -3.745 2.916 10.863 231 HE1 TYR 28 HE2 TYR 28 -0.566 -0.648 12.053 232 HE2 TYR 28 HE1 TYR 28 -2.103 3.296 12.636 233 HH TYR 28 HH TYR 28 -0.769 1.841 14.250 234 H LEU 29 H LEU 29 -3.677 -0.951 6.320 235 HA LEU 29 HA LEU 29 -6.237 -0.254 4.999 236 HB2 LEU 29 2HB LEU 29 -4.181 -2.362 4.227 237 HB3 LEU 29 3HB LEU 29 -5.578 -1.868 3.276 238 HG LEU 29 HG LEU 29 -3.098 -0.214 3.871 239 HD11 LEU 29 1HD1 LEU 29 -2.717 -0.320 1.470 240 HD12 LEU 29 2HD1 LEU 29 -4.155 -1.321 1.263 241 HD13 LEU 29 3HD1 LEU 29 -2.773 -1.935 2.175 242 HD21 LEU 29 3HD2 LEU 29 -5.025 1.281 3.909 243 HD22 LEU 29 1HD2 LEU 29 -5.598 0.633 2.369 244 HD23 LEU 29 2HD2 LEU 29 -4.086 1.540 2.442 245 H SER 30 H SER 30 -7.995 -1.626 5.060 246 HA SER 30 HA SER 30 -8.006 -3.962 6.818 247 HB2 SER 30 2HB SER 30 -10.175 -2.813 5.007 248 HB3 SER 30 3HB SER 30 -10.410 -4.120 6.173 249 HG SER 30 HG SER 30 -10.967 -1.922 6.877 250 H ALA 31 H ALA 31 -9.053 -6.053 5.845 251 HA ALA 31 HA ALA 31 -7.265 -7.163 4.001 252 HB1 ALA 31 3HB ALA 31 -8.630 -9.190 4.096 253 HB2 ALA 31 1HB ALA 31 -9.961 -8.283 4.826 254 HB3 ALA 31 2HB ALA 31 -8.445 -8.489 5.703 255 HA PRO 32 HA PRO 32 -10.769 -6.687 0.476 256 HB2 PRO 32 2HB PRO 32 -12.032 -4.149 1.528 257 HB3 PRO 32 3HB PRO 32 -12.774 -5.497 0.638 258 HG2 PRO 32 2HG PRO 32 -13.214 -5.239 3.244 259 HG3 PRO 32 3HG PRO 32 -12.944 -6.847 2.528 260 HD2 PRO 32 2HD PRO 32 -11.022 -5.150 4.111 261 HD3 PRO 32 3HD PRO 32 -11.301 -6.904 4.172 262 H GLU 33 H GLU 33 -9.687 -3.726 2.169 263 HA GLU 33 HA GLU 33 -9.257 -2.102 -0.089 264 HB2 GLU 33 2HB GLU 33 -7.963 -1.902 2.659 265 HB3 GLU 33 3HB GLU 33 -8.024 -0.614 1.451 266 HG2 GLU 33 2HG GLU 33 -10.547 -0.716 1.601 267 HG3 GLU 33 3HG GLU 33 -10.357 -1.833 2.955 268 H ARG 34 H ARG 34 -7.007 -4.105 1.769 269 HA ARG 34 HA ARG 34 -4.622 -3.290 0.444 270 HB2 ARG 34 2HB ARG 34 -4.717 -4.227 2.754 271 HB3 ARG 34 3HB ARG 34 -5.157 -5.798 2.089 272 HG2 ARG 34 2HG ARG 34 -2.985 -5.936 0.941 273 HG3 ARG 34 3HG ARG 34 -2.556 -4.331 1.536 274 HD2 ARG 34 2HD ARG 34 -1.475 -6.044 2.883 275 HD3 ARG 34 3HD ARG 34 -2.662 -5.169 3.856 276 HE ARG 34 HE ARG 34 -3.919 -7.433 2.795 277 HH11 ARG 34 1HH1 ARG 34 -1.395 -6.759 5.058 278 HH12 ARG 34 2HH1 ARG 34 -1.715 -8.179 5.988 279 HH21 ARG 34 1HH2 ARG 34 -4.294 -9.246 4.002 280 HH22 ARG 34 2HH2 ARG 34 -3.332 -9.562 5.404 281 H ALA 35 H ALA 35 -6.863 -6.025 0.017 282 HA ALA 35 HA ALA 35 -5.461 -7.482 -1.948 283 HB1 ALA 35 3HB ALA 35 -7.622 -8.545 -2.433 284 HB2 ALA 35 1HB ALA 35 -8.465 -7.269 -1.541 285 HB3 ALA 35 2HB ALA 35 -7.387 -8.378 -0.694 286 H HIS 36 H HIS 36 -7.934 -4.916 -2.286 287 HA HIS 36 HA HIS 36 -7.962 -4.837 -5.123 288 HB2 HIS 36 2HB HIS 36 -8.859 -2.884 -2.991 289 HB3 HIS 36 3HB HIS 36 -8.938 -2.447 -4.695 290 HD1 HIS 36 HD1 HIS 36 -11.062 -3.050 -5.831 291 HD2 HIS 36 HD2 HIS 36 -10.400 -5.433 -2.503 292 HE1 HIS 36 HE1 HIS 36 -13.091 -4.500 -5.626 293 HE2 HIS 36 HE2 HIS 36 -12.600 -6.022 -3.690 294 H LEU 37 H LEU 37 -6.130 -2.854 -2.759 295 HA LEU 37 HA LEU 37 -4.837 -1.165 -4.636 296 HB2 LEU 37 2HB LEU 37 -5.030 -0.738 -2.170 297 HB3 LEU 37 3HB LEU 37 -3.854 -2.009 -1.880 298 HG LEU 37 HG LEU 37 -2.127 -0.683 -3.110 299 HD11 LEU 37 1HD1 LEU 37 -2.534 1.665 -3.710 300 HD12 LEU 37 2HD1 LEU 37 -4.242 1.483 -3.295 301 HD13 LEU 37 3HD1 LEU 37 -3.556 0.567 -4.637 302 HD21 LEU 37 3HD2 LEU 37 -2.281 -0.468 -0.680 303 HD22 LEU 37 1HD2 LEU 37 -3.444 0.849 -0.844 304 HD23 LEU 37 2HD2 LEU 37 -1.783 1.054 -1.412 305 H ALA 38 H ALA 38 -4.025 -4.348 -3.361 306 HA ALA 38 HA ALA 38 -1.419 -4.623 -4.425 307 HB1 ALA 38 3HB ALA 38 -1.687 -7.021 -4.002 308 HB2 ALA 38 1HB ALA 38 -3.428 -6.801 -3.769 309 HB3 ALA 38 2HB ALA 38 -2.285 -6.071 -2.643 310 H LYS 39 H LYS 39 -4.554 -5.899 -5.724 311 HA LYS 39 HA LYS 39 -3.400 -7.066 -8.043 312 HB2 LYS 39 2HB LYS 39 -5.734 -7.305 -8.885 313 HB3 LYS 39 3HB LYS 39 -5.526 -7.883 -7.238 314 HG2 LYS 39 2HG LYS 39 -6.582 -5.869 -6.345 315 HG3 LYS 39 3HG LYS 39 -6.722 -5.186 -7.964 316 HD2 LYS 39 2HD LYS 39 -8.080 -7.756 -7.058 317 HD3 LYS 39 3HD LYS 39 -8.854 -6.170 -7.068 318 HE2 LYS 39 2HE LYS 39 -7.736 -7.574 -9.523 319 HE3 LYS 39 3HE LYS 39 -9.440 -7.517 -9.070 320 HZ1 LYS 39 3HZ LYS 39 -9.377 -5.112 -9.288 321 HZ2 LYS 39 1HZ LYS 39 -8.906 -5.857 -10.728 322 HZ3 LYS 39 2HZ LYS 39 -7.743 -5.165 -9.719 323 H ASN 40 H ASN 40 -4.929 -3.898 -7.546 324 HA ASN 40 HA ASN 40 -4.954 -3.057 -10.258 325 HB2 ASN 40 2HB ASN 40 -5.017 -1.434 -7.687 326 HB3 ASN 40 3HB ASN 40 -5.305 -0.753 -9.284 327 HD21 ASN 40 1HD2 ASN 40 -7.109 -0.906 -6.981 328 HD22 ASN 40 2HD2 ASN 40 -8.510 -1.747 -7.528 329 H LEU 41 H LEU 41 -2.481 -2.820 -7.735 330 HA LEU 41 HA LEU 41 -0.614 -1.469 -9.605 331 HB2 LEU 41 2HB LEU 41 -0.408 -1.951 -6.612 332 HB3 LEU 41 3HB LEU 41 0.812 -1.137 -7.580 333 HG LEU 41 HG LEU 41 -2.020 -0.133 -7.059 334 HD11 LEU 41 1HD1 LEU 41 -0.935 1.673 -5.803 335 HD12 LEU 41 2HD1 LEU 41 0.645 0.935 -6.078 336 HD13 LEU 41 3HD1 LEU 41 -0.569 0.094 -5.108 337 HD21 LEU 41 3HD2 LEU 41 0.190 1.181 -8.687 338 HD22 LEU 41 1HD2 LEU 41 -1.357 1.916 -8.260 339 HD23 LEU 41 2HD2 LEU 41 -1.315 0.511 -9.321 340 H LYS 42 H LYS 42 -1.477 -4.510 -9.272 341 HA LYS 42 HA LYS 42 -0.644 -6.549 -9.688 342 HB2 LYS 42 2HB LYS 42 1.624 -4.934 -10.914 343 HB3 LYS 42 3HB LYS 42 1.488 -6.680 -11.078 344 HG2 LYS 42 2HG LYS 42 0.614 -5.766 -13.080 345 HG3 LYS 42 3HG LYS 42 -0.772 -6.320 -12.158 346 HD2 LYS 42 2HD LYS 42 -1.244 -4.000 -11.457 347 HD3 LYS 42 3HD LYS 42 0.176 -3.433 -12.336 348 HE2 LYS 42 2HE LYS 42 -0.875 -4.202 -14.458 349 HE3 LYS 42 3HE LYS 42 -2.308 -4.689 -13.548 350 HZ1 LYS 42 3HZ LYS 42 -2.572 -2.377 -12.839 351 HZ2 LYS 42 1HZ LYS 42 -2.613 -2.526 -14.524 352 HZ3 LYS 42 2HZ LYS 42 -1.226 -1.935 -13.763 353 H LEU 43 H LEU 43 0.310 -5.083 -7.132 354 HA LEU 43 HA LEU 43 2.606 -6.702 -6.298 355 HB2 LEU 43 2HB LEU 43 0.837 -4.802 -4.699 356 HB3 LEU 43 3HB LEU 43 2.308 -5.559 -4.102 357 HG LEU 43 HG LEU 43 2.160 -3.520 -6.356 358 HD11 LEU 43 1HD1 LEU 43 3.192 -3.171 -3.527 359 HD12 LEU 43 2HD1 LEU 43 1.695 -2.499 -4.180 360 HD13 LEU 43 3HD1 LEU 43 3.248 -1.966 -4.818 361 HD21 LEU 43 3HD2 LEU 43 4.010 -5.087 -6.717 362 HD22 LEU 43 1HD2 LEU 43 4.606 -4.792 -5.080 363 HD23 LEU 43 2HD2 LEU 43 4.616 -3.494 -6.277 364 H THR 44 H THR 44 2.232 -7.739 -3.959 365 HA THR 44 HA THR 44 -0.365 -9.189 -3.867 366 HB THR 44 HB THR 44 0.694 -10.909 -2.499 367 HG1 THR 44 HG1 THR 44 3.280 -10.351 -2.594 368 HG21 THR 44 3HG2 THR 44 0.961 -11.198 -4.942 369 HG22 THR 44 1HG2 THR 44 2.341 -11.863 -4.064 370 HG23 THR 44 2HG2 THR 44 2.483 -10.307 -4.882 371 H GLU 45 H GLU 45 -1.292 -9.478 -1.717 372 HA GLU 45 HA GLU 45 -1.570 -7.168 -0.172 373 HB2 GLU 45 2HB GLU 45 -2.079 -10.032 0.738 374 HB3 GLU 45 3HB GLU 45 -2.621 -8.598 1.598 375 HG2 GLU 45 2HG GLU 45 -4.515 -9.392 0.443 376 HG3 GLU 45 3HG GLU 45 -3.966 -7.986 -0.459 377 H THR 46 H THR 46 0.675 -9.864 0.269 378 HA THR 46 HA THR 46 1.807 -9.162 2.744 379 HB THR 46 HB THR 46 3.107 -10.612 0.387 380 HG1 THR 46 HG1 THR 46 1.078 -11.385 1.739 381 HG21 THR 46 3HG2 THR 46 3.924 -10.586 3.326 382 HG22 THR 46 1HG2 THR 46 4.821 -9.822 2.005 383 HG23 THR 46 2HG2 THR 46 4.657 -11.574 2.065 384 H GLN 47 H GLN 47 2.882 -8.344 -0.591 385 HA GLN 47 HA GLN 47 5.177 -6.836 0.088 386 HB2 GLN 47 2HB GLN 47 3.416 -6.675 -2.390 387 HB3 GLN 47 3HB GLN 47 5.018 -5.951 -2.255 388 HG2 GLN 47 2HG GLN 47 6.061 -8.123 -2.095 389 HG3 GLN 47 3HG GLN 47 4.493 -8.924 -1.980 390 HE21 GLN 47 1HE2 GLN 47 5.281 -6.303 -4.230 391 HE22 GLN 47 2HE2 GLN 47 5.149 -7.261 -5.654 392 H VAL 48 H VAL 48 1.863 -5.746 -0.697 393 HA VAL 48 HA VAL 48 2.187 -2.983 -0.326 394 HB VAL 48 HB VAL 48 -0.317 -4.681 0.147 395 HG11 VAL 48 1HG1 VAL 48 -0.101 -1.671 -0.284 396 HG12 VAL 48 2HG1 VAL 48 -0.586 -2.481 1.206 397 HG13 VAL 48 3HG1 VAL 48 -1.609 -2.590 -0.225 398 HG21 VAL 48 3HG2 VAL 48 0.579 -4.920 -2.140 399 HG22 VAL 48 1HG2 VAL 48 0.573 -3.166 -2.346 400 HG23 VAL 48 2HG2 VAL 48 -0.949 -4.042 -2.159 401 H LYS 49 H LYS 49 1.296 -5.526 2.033 402 HA LYS 49 HA LYS 49 0.932 -3.927 4.321 403 HB2 LYS 49 2HB LYS 49 0.270 -6.307 4.211 404 HB3 LYS 49 3HB LYS 49 1.962 -6.789 4.134 405 HG2 LYS 49 2HG LYS 49 2.252 -5.706 6.431 406 HG3 LYS 49 3HG LYS 49 0.497 -5.527 6.480 407 HD2 LYS 49 2HD LYS 49 1.143 -7.531 7.702 408 HD3 LYS 49 3HD LYS 49 0.262 -7.995 6.244 409 HE2 LYS 49 2HE LYS 49 2.370 -8.566 5.118 410 HE3 LYS 49 3HE LYS 49 3.291 -8.005 6.516 411 HZ1 LYS 49 3HZ LYS 49 1.437 -10.316 6.437 412 HZ2 LYS 49 1HZ LYS 49 2.186 -9.735 7.835 413 HZ3 LYS 49 2HZ LYS 49 3.119 -10.368 6.581 414 H ILE 50 H ILE 50 3.883 -5.455 3.016 415 HA ILE 50 HA ILE 50 5.697 -4.765 5.060 416 HB ILE 50 HB ILE 50 6.192 -5.302 2.094 417 HG12 ILE 50 2HG1 ILE 50 6.602 -7.145 4.508 418 HG13 ILE 50 3HG1 ILE 50 5.210 -7.201 3.435 419 HG21 ILE 50 1HG2 ILE 50 8.093 -4.019 2.981 420 HG22 ILE 50 2HG2 ILE 50 8.584 -5.684 2.677 421 HG23 ILE 50 3HG2 ILE 50 8.262 -5.145 4.328 422 HD11 ILE 50 3HD1 ILE 50 6.785 -8.944 2.894 423 HD12 ILE 50 1HD1 ILE 50 8.068 -7.759 2.654 424 HD13 ILE 50 2HD1 ILE 50 6.678 -7.793 1.565 425 H TRP 51 H TRP 51 4.842 -3.097 2.005 426 HA TRP 51 HA TRP 51 6.563 -0.897 2.173 427 HB2 TRP 51 2HB TRP 51 5.166 -1.542 0.157 428 HB3 TRP 51 3HB TRP 51 3.751 -0.893 0.971 429 HD1 TRP 51 HD1 TRP 51 6.837 0.199 -0.979 430 HE1 TRP 51 HE1 TRP 51 6.709 2.715 -1.457 431 HE3 TRP 51 HE3 TRP 51 2.850 1.392 1.968 432 HZ2 TRP 51 HZ2 TRP 51 5.143 4.922 -0.677 433 HZ3 TRP 51 HZ3 TRP 51 2.098 3.724 2.062 434 HH2 TRP 51 HH2 TRP 51 3.223 5.459 0.764 435 H PHE 52 H PHE 52 3.110 -1.033 3.122 436 HA PHE 52 HA PHE 52 2.906 1.414 4.425 437 HB2 PHE 52 2HB PHE 52 1.329 -1.152 4.564 438 HB3 PHE 52 3HB PHE 52 0.971 0.105 5.743 439 HD1 PHE 52 HD1 PHE 52 1.315 -0.383 2.016 440 HD2 PHE 52 HD2 PHE 52 -0.554 1.815 5.169 441 HE1 PHE 52 HE1 PHE 52 -0.081 0.797 0.372 442 HE2 PHE 52 HE2 PHE 52 -1.949 2.987 3.521 443 HZ PHE 52 HZ PHE 52 -1.712 2.485 1.120 444 H GLN 53 H GLN 53 4.010 -1.685 5.774 445 HA GLN 53 HA GLN 53 4.127 -0.941 8.501 446 HB2 GLN 53 2HB GLN 53 4.196 -3.300 7.830 447 HB3 GLN 53 3HB GLN 53 5.725 -3.057 6.992 448 HG2 GLN 53 2HG GLN 53 6.833 -2.573 9.154 449 HG3 GLN 53 3HG GLN 53 5.297 -2.791 9.989 450 HE21 GLN 53 1HE2 GLN 53 7.878 -4.428 8.289 451 HE22 GLN 53 2HE2 GLN 53 7.482 -6.016 8.828 452 H ASN 54 H ASN 54 6.740 -1.093 6.053 453 HA ASN 54 HA ASN 54 8.798 -0.009 7.635 454 HB2 ASN 54 2HB ASN 54 8.446 -0.314 4.644 455 HB3 ASN 54 3HB ASN 54 9.834 0.566 5.268 456 HD21 ASN 54 1HD2 ASN 54 8.407 -2.565 4.884 457 HD22 ASN 54 2HD2 ASN 54 9.744 -3.471 5.479 458 H ARG 55 H ARG 55 6.519 1.607 5.421 459 HA ARG 55 HA ARG 55 7.602 4.183 5.554 460 HB2 ARG 55 2HB ARG 55 5.020 3.012 4.664 461 HB3 ARG 55 3HB ARG 55 4.901 4.692 5.158 462 HG2 ARG 55 2HG ARG 55 5.295 4.499 2.752 463 HG3 ARG 55 3HG ARG 55 6.614 5.348 3.558 464 HD2 ARG 55 2HD ARG 55 7.921 3.178 3.541 465 HD3 ARG 55 3HD ARG 55 6.628 2.473 2.556 466 HE ARG 55 HE ARG 55 7.515 4.845 1.342 467 HH11 ARG 55 1HH1 ARG 55 8.662 1.625 1.918 468 HH12 ARG 55 2HH1 ARG 55 9.701 1.649 0.545 469 HH21 ARG 55 1HH2 ARG 55 8.838 4.838 -0.396 470 HH22 ARG 55 2HH2 ARG 55 9.801 3.445 -0.752 471 H ARG 56 H ARG 56 5.101 2.713 7.690 472 HA ARG 56 HA ARG 56 4.860 5.012 9.395 473 HB2 ARG 56 2HB ARG 56 4.233 2.082 9.975 474 HB3 ARG 56 3HB ARG 56 3.747 3.440 10.989 475 HG2 ARG 56 2HG ARG 56 2.327 4.305 9.175 476 HG3 ARG 56 3HG ARG 56 2.846 2.984 8.126 477 HD2 ARG 56 2HD ARG 56 1.244 2.738 10.692 478 HD3 ARG 56 3HD ARG 56 0.642 2.494 9.049 479 HE ARG 56 HE ARG 56 2.549 0.733 10.475 480 HH11 ARG 56 1HH1 ARG 56 0.277 1.116 7.889 481 HH12 ARG 56 2HH1 ARG 56 0.248 -0.575 7.550 482 HH21 ARG 56 1HH2 ARG 56 2.463 -1.410 9.994 483 HH22 ARG 56 2HH2 ARG 56 1.452 -1.966 8.711 484 H TYR 57 H TYR 57 7.097 2.336 9.195 485 HA TYR 57 HA TYR 57 8.182 2.542 11.861 486 HB2 TYR 57 2HB TYR 57 8.112 0.435 10.423 487 HB3 TYR 57 3HB TYR 57 9.403 1.134 9.454 488 HD1 TYR 57 HD1 TYR 57 8.556 0.172 12.976 489 HD2 TYR 57 HD2 TYR 57 11.674 0.737 10.101 490 HE1 TYR 57 HE1 TYR 57 10.176 -0.778 14.549 491 HE2 TYR 57 HE2 TYR 57 13.297 -0.214 11.680 492 HH TYR 57 HH TYR 57 12.348 -1.872 14.513 493 H LYS 58 H LYS 58 8.843 4.025 8.787 494 HA LYS 58 HA LYS 58 11.444 5.085 9.449 495 HB2 LYS 58 2HB LYS 58 9.497 5.703 7.195 496 HB3 LYS 58 3HB LYS 58 11.068 6.485 7.359 497 HG2 LYS 58 2HG LYS 58 12.196 4.304 7.135 498 HG3 LYS 58 3HG LYS 58 10.635 3.501 7.006 499 HD2 LYS 58 2HD LYS 58 11.428 3.674 4.776 500 HD3 LYS 58 3HD LYS 58 10.209 4.936 4.922 501 HE2 LYS 58 2HE LYS 58 13.214 5.376 5.111 502 HE3 LYS 58 3HE LYS 58 12.238 5.674 3.677 503 HZ1 LYS 58 3HZ LYS 58 12.614 7.724 4.795 504 HZ2 LYS 58 1HZ LYS 58 12.078 7.107 6.273 505 HZ3 LYS 58 2HZ LYS 58 10.986 7.328 5.003 506 H THR 59 H THR 59 8.351 5.869 10.535 507 HA THR 59 HA THR 59 9.190 8.616 11.284 508 HB THR 59 HB THR 59 7.159 8.549 9.738 509 HG1 THR 59 HG1 THR 59 7.239 10.385 10.832 510 HG21 THR 59 3HG2 THR 59 4.959 7.981 10.709 511 HG22 THR 59 1HG2 THR 59 5.734 7.411 12.181 512 HG23 THR 59 2HG2 THR 59 5.992 6.551 10.660 513 H LYS 60 H LYS 60 7.117 8.893 13.343 514 HA LYS 60 HA LYS 60 8.613 7.844 15.496 515 HB2 LYS 60 2HB LYS 60 5.865 9.134 15.565 516 HB3 LYS 60 3HB LYS 60 6.919 8.906 16.957 517 HG2 LYS 60 2HG LYS 60 7.371 10.734 14.575 518 HG3 LYS 60 3HG LYS 60 7.067 11.208 16.247 519 HD2 LYS 60 2HD LYS 60 9.567 9.828 15.177 520 HD3 LYS 60 3HD LYS 60 9.435 11.513 15.674 521 HE2 LYS 60 2HE LYS 60 9.074 10.832 17.999 522 HE3 LYS 60 3HE LYS 60 9.079 9.130 17.533 523 HZ1 LYS 60 3HZ LYS 60 11.206 9.719 18.415 524 HZ2 LYS 60 1HZ LYS 60 11.361 11.015 17.342 525 HZ3 LYS 60 2HZ LYS 60 11.380 9.431 16.760 526 H ARG 61 H ARG 61 6.150 6.261 13.734 527 HA ARG 61 HA ARG 61 5.191 4.624 15.959 528 HB2 ARG 61 2HB ARG 61 4.541 4.452 12.989 529 HB3 ARG 61 3HB ARG 61 3.756 3.518 14.265 530 HG2 ARG 61 2HG ARG 61 2.988 5.680 15.290 531 HG3 ARG 61 3HG ARG 61 3.658 6.531 13.897 532 HD2 ARG 61 2HD ARG 61 2.116 5.260 12.409 533 HD3 ARG 61 3HD ARG 61 1.434 4.459 13.833 534 HE ARG 61 HE ARG 61 1.326 7.320 14.011 535 HH11 ARG 61 1HH1 ARG 61 -0.382 4.564 12.781 536 HH12 ARG 61 2HH1 ARG 61 -1.867 5.430 12.645 537 HH21 ARG 61 1HH2 ARG 61 -0.597 8.379 13.840 538 HH22 ARG 61 2HH2 ARG 61 -1.991 7.548 13.246 539 H LYS 62 H LYS 62 7.021 3.472 16.649 540 HA LYS 62 HA LYS 62 8.482 1.701 14.878 541 HB2 LYS 62 2HB LYS 62 8.429 1.902 17.916 542 HB3 LYS 62 3HB LYS 62 9.466 0.790 17.022 543 HG2 LYS 62 2HG LYS 62 10.475 2.788 15.862 544 HG3 LYS 62 3HG LYS 62 9.554 3.821 16.962 545 HD2 LYS 62 2HD LYS 62 10.723 2.823 18.897 546 HD3 LYS 62 3HD LYS 62 11.600 1.732 17.819 547 HE2 LYS 62 2HE LYS 62 11.831 4.761 17.859 548 HE3 LYS 62 3HE LYS 62 13.016 3.622 18.497 549 HZ1 LYS 62 3HZ LYS 62 13.667 4.412 16.331 550 HZ2 LYS 62 1HZ LYS 62 12.215 3.884 15.647 551 HZ3 LYS 62 2HZ LYS 62 13.325 2.761 16.250 552 H GLN 63 H GLN 63 7.378 0.058 13.990 553 HA GLN 63 HA GLN 63 5.152 -1.305 15.124 554 HB2 GLN 63 2HB GLN 63 6.940 -1.845 12.736 555 HB3 GLN 63 3HB GLN 63 5.756 -3.049 13.221 556 HG2 GLN 63 2HG GLN 63 4.949 -1.585 11.393 557 HG3 GLN 63 3HG GLN 63 3.931 -1.523 12.829 558 HE21 GLN 63 1HE2 GLN 63 6.269 0.229 10.938 559 HE22 GLN 63 2HE2 GLN 63 5.918 1.778 11.609 560 H LEU 64 H LEU 64 4.985 -3.216 16.221 561 HA LEU 64 HA LEU 64 7.207 -4.408 17.543 562 HB2 LEU 64 2HB LEU 64 4.857 -4.474 18.390 563 HB3 LEU 64 3HB LEU 64 4.419 -5.538 17.064 564 HG LEU 64 HG LEU 64 5.995 -7.273 17.972 565 HD11 LEU 64 1HD1 LEU 64 7.559 -5.809 19.152 566 HD12 LEU 64 2HD1 LEU 64 6.926 -7.049 20.231 567 HD13 LEU 64 3HD1 LEU 64 6.315 -5.394 20.332 568 HD21 LEU 64 3HD2 LEU 64 3.603 -7.373 18.530 569 HD22 LEU 64 1HD2 LEU 64 3.875 -6.362 19.951 570 HD23 LEU 64 2HD2 LEU 64 4.588 -7.976 19.861 571 H SER 65 H SER 65 5.059 -5.651 14.963 572 HA SER 65 HA SER 65 5.323 -6.891 13.107 573 HB2 SER 65 2HB SER 65 7.184 -5.411 12.489 574 HB3 SER 65 3HB SER 65 8.306 -6.373 13.448 575 HG SER 65 HG SER 65 8.545 -7.099 11.410 576 H SER 66 H SER 66 5.731 -9.026 12.360 577 HA SER 66 HA SER 66 5.911 -11.052 14.373 578 HB2 SER 66 2HB SER 66 6.014 -11.326 11.339 579 HB3 SER 66 3HB SER 66 5.776 -12.655 12.478 580 HG SER 66 HG SER 66 3.808 -11.864 13.003 581 H GLU 67 H GLU 67 8.232 -9.595 12.214 582 HA GLU 67 HA GLU 67 10.324 -11.542 12.420 583 HB2 GLU 67 2HB GLU 67 10.145 -9.908 10.561 584 HB3 GLU 67 3HB GLU 67 10.429 -8.584 11.688 585 HG2 GLU 67 2HG GLU 67 12.700 -9.415 12.122 586 HG3 GLU 67 3HG GLU 67 12.418 -10.787 11.050 587 H LEU 68 H LEU 68 11.427 -11.985 14.271 588 HA LEU 68 HA LEU 68 12.380 -9.832 16.019 589 HB2 LEU 68 2HB LEU 68 11.660 -11.304 18.061 590 HB3 LEU 68 3HB LEU 68 10.486 -10.267 17.285 591 HG LEU 68 HG LEU 68 9.502 -12.241 16.111 592 HD11 LEU 68 1HD1 LEU 68 11.430 -13.727 15.984 593 HD12 LEU 68 2HD1 LEU 68 10.087 -14.542 16.785 594 HD13 LEU 68 3HD1 LEU 68 11.440 -13.917 17.736 595 HD21 LEU 68 3HD2 LEU 68 8.393 -13.216 18.078 596 HD22 LEU 68 1HD2 LEU 68 8.553 -11.465 18.237 597 HD23 LEU 68 2HD2 LEU 68 9.636 -12.535 19.131 598 H GLY 69 H GLY 69 13.891 -10.671 17.740 599 HA2 GLY 69 2HA GLY 69 15.691 -11.892 18.478 600 HA3 GLY 69 3HA GLY 69 15.231 -13.191 17.390 Start of MODEL 11 1 H1 MET 1 1H MET 1 26.314 -22.259 9.260 2 H2 MET 1 2H MET 1 25.631 -20.749 9.614 3 H3 MET 1 3H MET 1 27.270 -21.029 9.919 4 HA MET 1 HA MET 1 26.966 -19.685 7.953 5 HB2 MET 1 2HB MET 1 28.411 -21.008 6.441 6 HB3 MET 1 3HB MET 1 28.939 -21.137 8.109 7 HG2 MET 1 2HG MET 1 27.965 -23.383 8.277 8 HG3 MET 1 3HG MET 1 27.336 -23.251 6.635 9 HE1 MET 1 3HE MET 1 31.871 -23.398 7.573 10 HE2 MET 1 1HE MET 1 30.639 -23.505 8.832 11 HE3 MET 1 2HE MET 1 30.862 -21.999 7.939 12 H GLY 2 H GLY 2 26.759 -20.238 5.395 13 HA2 GLY 2 2HA GLY 2 25.316 -21.341 3.748 14 HA3 GLY 2 3HA GLY 2 24.022 -21.328 4.936 15 H HIS 3 H HIS 3 25.259 -19.738 2.261 16 HA HIS 3 HA HIS 3 24.582 -17.014 2.912 17 HB2 HIS 3 2HB HIS 3 26.350 -17.562 1.270 18 HB3 HIS 3 3HB HIS 3 25.157 -18.325 0.225 19 HD1 HIS 3 HD1 HIS 3 24.230 -16.848 -1.564 20 HD2 HIS 3 HD2 HIS 3 25.785 -14.633 1.592 21 HE1 HIS 3 HE1 HIS 3 24.053 -14.451 -2.269 22 HE2 HIS 3 HE2 HIS 3 25.149 -13.152 -0.424 23 H HIS 4 H HIS 4 22.462 -16.762 3.462 24 HA HIS 4 HA HIS 4 20.271 -18.082 2.166 25 HB2 HIS 4 2HB HIS 4 20.343 -15.860 4.244 26 HB3 HIS 4 3HB HIS 4 18.852 -16.605 3.664 27 HD1 HIS 4 HD1 HIS 4 21.916 -17.376 5.727 28 HD2 HIS 4 HD2 HIS 4 18.278 -19.123 4.749 29 HE1 HIS 4 HE1 HIS 4 21.669 -19.334 7.269 30 HE2 HIS 4 HE2 HIS 4 19.551 -20.459 6.546 31 H HIS 5 H HIS 5 19.259 -17.488 0.356 32 HA HIS 5 HA HIS 5 19.490 -14.816 -0.808 33 HB2 HIS 5 2HB HIS 5 18.025 -17.319 -1.731 34 HB3 HIS 5 3HB HIS 5 18.020 -15.805 -2.630 35 HD1 HIS 5 HD1 HIS 5 19.709 -18.932 -2.597 36 HD2 HIS 5 HD2 HIS 5 20.913 -15.008 -3.214 37 HE1 HIS 5 HE1 HIS 5 21.842 -19.074 -3.894 38 HE2 HIS 5 HE2 HIS 5 22.618 -16.705 -4.148 39 H HIS 6 H HIS 6 17.961 -13.247 -0.731 40 HA HIS 6 HA HIS 6 15.175 -13.675 -0.188 41 HB2 HIS 6 2HB HIS 6 15.146 -12.202 1.910 42 HB3 HIS 6 3HB HIS 6 15.760 -13.831 2.123 43 HD1 HIS 6 HD1 HIS 6 16.836 -10.261 2.226 44 HD2 HIS 6 HD2 HIS 6 18.493 -14.010 2.825 45 HE1 HIS 6 HE1 HIS 6 19.008 -9.847 3.382 46 HE2 HIS 6 HE2 HIS 6 20.071 -12.107 3.567 47 H HIS 7 H HIS 7 14.396 -12.404 -1.746 48 HA HIS 7 HA HIS 7 15.859 -10.147 -2.802 49 HB2 HIS 7 2HB HIS 7 14.680 -11.819 -4.236 50 HB3 HIS 7 3HB HIS 7 13.137 -11.261 -3.603 51 HD1 HIS 7 HD1 HIS 7 15.834 -10.376 -6.029 52 HD2 HIS 7 HD2 HIS 7 12.267 -8.741 -4.660 53 HE1 HIS 7 HE1 HIS 7 15.289 -8.514 -7.614 54 HE2 HIS 7 HE2 HIS 7 13.054 -7.668 -6.866 55 H HIS 8 H HIS 8 15.544 -8.041 -2.376 56 HA HIS 8 HA HIS 8 13.242 -7.069 -0.839 57 HB2 HIS 8 2HB HIS 8 15.763 -5.668 -1.843 58 HB3 HIS 8 3HB HIS 8 14.487 -4.855 -0.938 59 HD1 HIS 8 HD1 HIS 8 17.413 -7.103 -0.515 60 HD2 HIS 8 HD2 HIS 8 14.294 -5.634 1.805 61 HE1 HIS 8 HE1 HIS 8 18.042 -7.603 1.854 62 HE2 HIS 8 HE2 HIS 8 16.169 -6.665 3.242 63 H SER 9 H SER 9 11.431 -6.416 -1.873 64 HA SER 9 HA SER 9 11.283 -6.221 -4.742 65 HB2 SER 9 2HB SER 9 9.403 -7.149 -3.449 66 HB3 SER 9 3HB SER 9 9.167 -5.600 -2.640 67 HG SER 9 HG SER 9 7.793 -6.097 -4.537 68 H HIS 10 H HIS 10 12.585 -4.501 -5.377 69 HA HIS 10 HA HIS 10 12.125 -1.784 -4.481 70 HB2 HIS 10 2HB HIS 10 13.774 -2.852 -6.811 71 HB3 HIS 10 3HB HIS 10 13.725 -1.163 -6.312 72 HD1 HIS 10 HD1 HIS 10 15.660 -4.140 -5.834 73 HD2 HIS 10 HD2 HIS 10 14.634 -0.908 -3.438 74 HE1 HIS 10 HE1 HIS 10 17.309 -4.147 -3.948 75 HE2 HIS 10 HE2 HIS 10 16.801 -2.064 -2.644 76 H MET 11 H MET 11 9.948 -1.492 -4.825 77 HA MET 11 HA MET 11 8.565 -1.939 -7.277 78 HB2 MET 11 2HB MET 11 7.869 -0.350 -4.777 79 HB3 MET 11 3HB MET 11 6.742 -0.597 -6.107 80 HG2 MET 11 2HG MET 11 6.774 -2.989 -5.769 81 HG3 MET 11 3HG MET 11 8.018 -2.844 -4.524 82 HE1 MET 11 3HE MET 11 7.584 -1.786 -2.130 83 HE2 MET 11 1HE MET 11 6.035 -1.118 -1.616 84 HE3 MET 11 2HE MET 11 6.985 -0.288 -2.846 85 H SER 12 H SER 12 7.283 -0.110 -8.341 86 HA SER 12 HA SER 12 9.236 1.623 -9.602 87 HB2 SER 12 2HB SER 12 6.240 1.360 -10.102 88 HB3 SER 12 3HB SER 12 7.385 2.204 -11.147 89 HG SER 12 HG SER 12 8.482 -0.035 -11.033 90 H HIS 13 H HIS 13 9.148 3.938 -9.724 91 HA HIS 13 HA HIS 13 8.638 5.265 -7.294 92 HB2 HIS 13 2HB HIS 13 10.333 6.060 -8.903 93 HB3 HIS 13 3HB HIS 13 9.074 6.480 -10.057 94 HD1 HIS 13 HD1 HIS 13 10.279 7.504 -6.595 95 HD2 HIS 13 HD2 HIS 13 8.116 9.048 -9.787 96 HE1 HIS 13 HE1 HIS 13 9.850 9.903 -6.024 97 HE2 HIS 13 HE2 HIS 13 8.395 10.761 -7.879 98 H THR 14 H THR 14 6.778 5.293 -10.357 99 HA THR 14 HA THR 14 4.736 7.093 -9.569 100 HB THR 14 HB THR 14 4.575 4.876 -11.664 101 HG1 THR 14 HG1 THR 14 5.099 6.789 -13.046 102 HG21 THR 14 3HG2 THR 14 2.350 5.853 -11.121 103 HG22 THR 14 1HG2 THR 14 2.874 6.308 -12.750 104 HG23 THR 14 2HG2 THR 14 2.992 7.466 -11.426 105 H GLN 15 H GLN 15 5.111 3.615 -9.258 106 HA GLN 15 HA GLN 15 2.498 2.954 -8.361 107 HB2 GLN 15 2HB GLN 15 3.991 1.292 -9.315 108 HB3 GLN 15 3HB GLN 15 5.184 1.556 -8.044 109 HG2 GLN 15 2HG GLN 15 3.696 0.582 -6.382 110 HG3 GLN 15 3HG GLN 15 2.410 0.417 -7.587 111 HE21 GLN 15 1HE2 GLN 15 2.581 -1.215 -9.129 112 HE22 GLN 15 2HE2 GLN 15 3.722 -2.495 -8.993 113 H VAL 16 H VAL 16 5.528 3.727 -6.587 114 HA VAL 16 HA VAL 16 4.495 3.478 -3.963 115 HB VAL 16 HB VAL 16 6.824 5.206 -4.935 116 HG11 VAL 16 1HG1 VAL 16 6.038 6.021 -2.744 117 HG12 VAL 16 2HG1 VAL 16 7.605 5.233 -2.577 118 HG13 VAL 16 3HG1 VAL 16 6.137 4.390 -2.074 119 HG21 VAL 16 3HG2 VAL 16 7.157 2.798 -5.385 120 HG22 VAL 16 1HG2 VAL 16 6.831 2.414 -3.692 121 HG23 VAL 16 2HG2 VAL 16 8.265 3.347 -4.129 122 H ILE 17 H ILE 17 4.475 6.209 -6.252 123 HA ILE 17 HA ILE 17 3.374 8.223 -4.640 124 HB ILE 17 HB ILE 17 2.819 7.674 -7.597 125 HG12 ILE 17 2HG1 ILE 17 4.831 9.597 -6.325 126 HG13 ILE 17 3HG1 ILE 17 5.235 8.052 -7.058 127 HG21 ILE 17 1HG2 ILE 17 1.080 9.151 -6.663 128 HG22 ILE 17 2HG2 ILE 17 2.113 10.039 -7.779 129 HG23 ILE 17 3HG2 ILE 17 2.319 10.242 -6.037 130 HD11 ILE 17 3HD1 ILE 17 5.762 9.858 -8.555 131 HD12 ILE 17 1HD1 ILE 17 4.106 10.459 -8.481 132 HD13 ILE 17 2HD1 ILE 17 4.447 8.898 -9.232 133 H GLU 18 H GLU 18 1.742 5.658 -6.526 134 HA GLU 18 HA GLU 18 -0.936 6.282 -5.869 135 HB2 GLU 18 2HB GLU 18 0.267 3.590 -6.626 136 HB3 GLU 18 3HB GLU 18 -1.448 3.984 -6.673 137 HG2 GLU 18 2HG GLU 18 0.710 5.277 -8.371 138 HG3 GLU 18 3HG GLU 18 -0.399 4.019 -8.910 139 H LEU 19 H LEU 19 1.362 4.023 -4.367 140 HA LEU 19 HA LEU 19 -0.193 3.017 -2.266 141 HB2 LEU 19 2HB LEU 19 2.789 3.556 -2.513 142 HB3 LEU 19 3HB LEU 19 2.101 2.739 -1.124 143 HG LEU 19 HG LEU 19 1.793 1.660 -3.954 144 HD11 LEU 19 1HD1 LEU 19 3.629 0.096 -3.481 145 HD12 LEU 19 2HD1 LEU 19 3.948 0.915 -1.950 146 HD13 LEU 19 3HD1 LEU 19 4.188 1.767 -3.476 147 HD21 LEU 19 3HD2 LEU 19 1.467 0.318 -1.245 148 HD22 LEU 19 1HD2 LEU 19 1.284 -0.464 -2.819 149 HD23 LEU 19 2HD2 LEU 19 0.165 0.803 -2.332 150 H GLU 20 H GLU 20 1.711 6.044 -2.474 151 HA GLU 20 HA GLU 20 1.266 6.879 0.241 152 HB2 GLU 20 2HB GLU 20 2.382 8.356 -2.171 153 HB3 GLU 20 3HB GLU 20 2.237 9.103 -0.579 154 HG2 GLU 20 2HG GLU 20 3.712 7.345 0.362 155 HG3 GLU 20 3HG GLU 20 3.884 6.639 -1.241 156 H ARG 21 H ARG 21 -0.447 7.445 -2.796 157 HA ARG 21 HA ARG 21 -2.205 9.496 -2.001 158 HB2 ARG 21 2HB ARG 21 -2.714 7.153 -3.884 159 HB3 ARG 21 3HB ARG 21 -3.792 8.540 -3.719 160 HG2 ARG 21 2HG ARG 21 -2.051 10.039 -4.550 161 HG3 ARG 21 3HG ARG 21 -0.901 8.706 -4.620 162 HD2 ARG 21 2HD ARG 21 -1.746 9.178 -6.847 163 HD3 ARG 21 3HD ARG 21 -2.311 7.591 -6.319 164 HE ARG 21 HE ARG 21 -4.219 9.628 -5.734 165 HH11 ARG 21 1HH1 ARG 21 -3.063 7.670 -8.365 166 HH12 ARG 21 2HH1 ARG 21 -4.547 7.823 -9.239 167 HH21 ARG 21 1HH2 ARG 21 -6.058 9.810 -6.867 168 HH22 ARG 21 2HH2 ARG 21 -6.235 9.021 -8.398 169 H LYS 22 H LYS 22 -2.273 6.030 -1.415 170 HA LYS 22 HA LYS 22 -4.842 6.037 -0.059 171 HB2 LYS 22 2HB LYS 22 -3.791 4.131 -1.488 172 HB3 LYS 22 3HB LYS 22 -2.798 3.778 -0.080 173 HG2 LYS 22 2HG LYS 22 -4.678 2.275 -0.091 174 HG3 LYS 22 3HG LYS 22 -4.892 3.413 1.245 175 HD2 LYS 22 2HD LYS 22 -6.510 4.709 -0.078 176 HD3 LYS 22 3HD LYS 22 -6.240 3.667 -1.478 177 HE2 LYS 22 2HE LYS 22 -8.319 3.027 -0.409 178 HE3 LYS 22 3HE LYS 22 -7.139 1.741 -0.164 179 HZ1 LYS 22 3HZ LYS 22 -6.735 2.682 2.067 180 HZ2 LYS 22 1HZ LYS 22 -8.317 2.132 1.853 181 HZ3 LYS 22 2HZ LYS 22 -7.987 3.783 1.808 182 H PHE 23 H PHE 23 -1.416 5.944 0.806 183 HA PHE 23 HA PHE 23 -1.621 5.394 3.574 184 HB2 PHE 23 2HB PHE 23 0.431 5.083 2.184 185 HB3 PHE 23 3HB PHE 23 0.610 6.828 2.077 186 HD1 PHE 23 HD2 PHE 23 0.446 4.039 4.592 187 HD2 PHE 23 HD1 PHE 23 1.951 7.938 3.698 188 HE1 PHE 23 HE2 PHE 23 1.810 3.977 6.631 189 HE2 PHE 23 HE1 PHE 23 3.317 7.871 5.736 190 HZ PHE 23 HZ PHE 23 3.252 5.892 7.207 191 H SER 24 H SER 24 -1.512 8.477 1.799 192 HA SER 24 HA SER 24 -1.348 10.247 3.978 193 HB2 SER 24 2HB SER 24 -2.160 11.970 2.369 194 HB3 SER 24 3HB SER 24 -0.895 10.959 1.675 195 HG SER 24 HG SER 24 -2.238 10.349 0.196 196 H HIS 25 H HIS 25 -4.126 8.577 2.568 197 HA HIS 25 HA HIS 25 -6.079 10.096 4.107 198 HB2 HIS 25 2HB HIS 25 -6.316 7.666 2.294 199 HB3 HIS 25 3HB HIS 25 -7.689 8.392 3.124 200 HD1 HIS 25 HD1 HIS 25 -8.924 9.183 1.066 201 HD2 HIS 25 HD2 HIS 25 -5.005 10.542 1.152 202 HE1 HIS 25 HE1 HIS 25 -8.752 10.851 -0.787 203 HE2 HIS 25 HE2 HIS 25 -6.401 11.713 -0.672 204 H GLN 26 H GLN 26 -4.468 6.944 4.261 205 HA GLN 26 HA GLN 26 -5.031 6.719 7.102 206 HB2 GLN 26 2HB GLN 26 -6.047 4.476 6.989 207 HB3 GLN 26 3HB GLN 26 -7.039 5.666 6.151 208 HG2 GLN 26 2HG GLN 26 -6.019 4.859 3.979 209 HG3 GLN 26 3HG GLN 26 -5.249 3.565 4.901 210 HE21 GLN 26 1HE2 GLN 26 -6.576 1.931 5.787 211 HE22 GLN 26 2HE2 GLN 26 -8.188 1.670 5.235 212 H LYS 27 H LYS 27 -3.405 5.731 8.146 213 HA LYS 27 HA LYS 27 -0.947 5.226 6.718 214 HB2 LYS 27 2HB LYS 27 -1.602 5.054 9.688 215 HB3 LYS 27 3HB LYS 27 0.025 5.041 9.007 216 HG2 LYS 27 2HG LYS 27 -1.966 7.338 8.854 217 HG3 LYS 27 3HG LYS 27 -0.536 7.266 9.888 218 HD2 LYS 27 2HD LYS 27 0.942 7.343 7.960 219 HD3 LYS 27 3HD LYS 27 -0.411 7.172 6.842 220 HE2 LYS 27 2HE LYS 27 0.387 9.483 6.884 221 HE3 LYS 27 3HE LYS 27 -1.252 9.392 7.525 222 HZ1 LYS 27 3HZ LYS 27 -0.368 9.534 9.749 223 HZ2 LYS 27 1HZ LYS 27 0.182 10.839 8.824 224 HZ3 LYS 27 2HZ LYS 27 1.217 9.547 9.158 225 H TYR 28 H TYR 28 -3.490 3.253 7.891 226 HA TYR 28 HA TYR 28 -2.067 0.805 7.111 227 HB2 TYR 28 2HB TYR 28 -3.269 -0.313 9.206 228 HB3 TYR 28 3HB TYR 28 -1.720 0.491 9.395 229 HD1 TYR 28 HD1 TYR 28 -5.376 0.819 10.078 230 HD2 TYR 28 HD2 TYR 28 -1.499 2.501 10.731 231 HE1 TYR 28 HE1 TYR 28 -6.295 2.270 11.833 232 HE2 TYR 28 HE2 TYR 28 -2.412 3.948 12.479 233 HH TYR 28 HH TYR 28 -4.597 4.896 13.136 234 H LEU 29 H LEU 29 -3.321 -0.667 6.073 235 HA LEU 29 HA LEU 29 -6.060 0.109 5.331 236 HB2 LEU 29 2HB LEU 29 -4.238 -2.030 4.145 237 HB3 LEU 29 3HB LEU 29 -5.794 -1.538 3.495 238 HG LEU 29 HG LEU 29 -3.238 0.104 3.560 239 HD11 LEU 29 1HD1 LEU 29 -3.417 0.061 1.114 240 HD12 LEU 29 2HD1 LEU 29 -4.857 -0.954 1.227 241 HD13 LEU 29 3HD1 LEU 29 -3.297 -1.566 1.781 242 HD21 LEU 29 3HD2 LEU 29 -5.994 0.990 2.658 243 HD22 LEU 29 1HD2 LEU 29 -4.493 1.885 2.415 244 HD23 LEU 29 2HD2 LEU 29 -5.091 1.606 4.046 245 H SER 30 H SER 30 -7.718 -1.545 5.102 246 HA SER 30 HA SER 30 -7.661 -3.776 7.015 247 HB2 SER 30 2HB SER 30 -9.831 -2.922 5.039 248 HB3 SER 30 3HB SER 30 -10.006 -4.143 6.303 249 HG SER 30 HG SER 30 -9.861 -1.347 6.515 250 H ALA 31 H ALA 31 -8.225 -6.007 6.157 251 HA ALA 31 HA ALA 31 -6.458 -6.912 4.203 252 HB1 ALA 31 3HB ALA 31 -7.404 -8.371 5.942 253 HB2 ALA 31 1HB ALA 31 -7.584 -9.079 4.342 254 HB3 ALA 31 2HB ALA 31 -8.973 -8.332 5.137 255 HA PRO 32 HA PRO 32 -10.184 -6.866 0.870 256 HB2 PRO 32 2HB PRO 32 -11.668 -4.484 1.992 257 HB3 PRO 32 3HB PRO 32 -12.295 -5.913 1.142 258 HG2 PRO 32 2HG PRO 32 -12.615 -5.703 3.766 259 HG3 PRO 32 3HG PRO 32 -12.190 -7.270 3.032 260 HD2 PRO 32 2HD PRO 32 -10.407 -5.342 4.504 261 HD3 PRO 32 3HD PRO 32 -10.466 -7.116 4.579 262 H GLU 33 H GLU 33 -9.199 -3.799 2.463 263 HA GLU 33 HA GLU 33 -8.944 -2.229 0.084 264 HB2 GLU 33 2HB GLU 33 -7.633 -1.757 2.795 265 HB3 GLU 33 3HB GLU 33 -7.846 -0.559 1.516 266 HG2 GLU 33 2HG GLU 33 -10.310 -0.763 1.780 267 HG3 GLU 33 3HG GLU 33 -10.051 -1.890 3.117 268 H ARG 34 H ARG 34 -6.712 -4.172 1.950 269 HA ARG 34 HA ARG 34 -4.242 -3.363 0.826 270 HB2 ARG 34 2HB ARG 34 -4.490 -4.521 2.995 271 HB3 ARG 34 3HB ARG 34 -5.078 -5.963 2.180 272 HG2 ARG 34 2HG ARG 34 -2.840 -6.200 1.083 273 HG3 ARG 34 3HG ARG 34 -2.276 -4.797 1.998 274 HD2 ARG 34 2HD ARG 34 -1.585 -6.896 3.084 275 HD3 ARG 34 3HD ARG 34 -2.705 -5.995 4.114 276 HE ARG 34 HE ARG 34 -3.853 -8.061 2.386 277 HH11 ARG 34 1HH1 ARG 34 -2.816 -7.270 5.611 278 HH12 ARG 34 2HH1 ARG 34 -3.743 -8.549 6.314 279 HH21 ARG 34 1HH2 ARG 34 -5.013 -9.650 3.324 280 HH22 ARG 34 2HH2 ARG 34 -4.968 -9.872 5.042 281 H ALA 35 H ALA 35 -6.456 -6.057 0.096 282 HA ALA 35 HA ALA 35 -5.062 -7.077 -2.189 283 HB1 ALA 35 3HB ALA 35 -6.626 -8.445 -0.863 284 HB2 ALA 35 1HB ALA 35 -7.101 -8.403 -2.561 285 HB3 ALA 35 2HB ALA 35 -7.969 -7.423 -1.375 286 H HIS 36 H HIS 36 -7.626 -4.692 -1.722 287 HA HIS 36 HA HIS 36 -8.467 -4.278 -4.382 288 HB2 HIS 36 2HB HIS 36 -9.710 -3.464 -2.382 289 HB3 HIS 36 3HB HIS 36 -8.422 -2.322 -2.035 290 HD1 HIS 36 HD1 HIS 36 -8.160 -0.324 -3.845 291 HD2 HIS 36 HD2 HIS 36 -11.688 -2.494 -4.022 292 HE1 HIS 36 HE1 HIS 36 -9.740 1.076 -5.188 293 HE2 HIS 36 HE2 HIS 36 -11.893 -0.222 -5.222 294 H LEU 37 H LEU 37 -5.851 -2.812 -2.482 295 HA LEU 37 HA LEU 37 -5.020 -0.977 -4.564 296 HB2 LEU 37 2HB LEU 37 -4.822 -0.485 -2.122 297 HB3 LEU 37 3HB LEU 37 -3.629 -1.765 -1.975 298 HG LEU 37 HG LEU 37 -2.044 -0.503 -3.382 299 HD11 LEU 37 1HD1 LEU 37 -4.188 1.639 -3.600 300 HD12 LEU 37 2HD1 LEU 37 -3.590 0.614 -4.907 301 HD13 LEU 37 3HD1 LEU 37 -2.517 1.790 -4.157 302 HD21 LEU 37 3HD2 LEU 37 -2.024 -0.063 -0.965 303 HD22 LEU 37 1HD2 LEU 37 -3.195 1.243 -1.174 304 HD23 LEU 37 2HD2 LEU 37 -1.578 1.377 -1.874 305 H ALA 38 H ALA 38 -3.945 -4.101 -3.278 306 HA ALA 38 HA ALA 38 -1.529 -4.451 -4.619 307 HB1 ALA 38 3HB ALA 38 -1.836 -6.861 -4.236 308 HB2 ALA 38 1HB ALA 38 -3.549 -6.597 -3.882 309 HB3 ALA 38 2HB ALA 38 -2.312 -5.929 -2.816 310 H LYS 39 H LYS 39 -4.806 -5.475 -5.727 311 HA LYS 39 HA LYS 39 -3.998 -6.614 -8.165 312 HB2 LYS 39 2HB LYS 39 -6.355 -6.531 -8.843 313 HB3 LYS 39 3HB LYS 39 -6.190 -7.081 -7.183 314 HG2 LYS 39 2HG LYS 39 -6.875 -4.851 -6.362 315 HG3 LYS 39 3HG LYS 39 -7.038 -4.289 -8.027 316 HD2 LYS 39 2HD LYS 39 -8.662 -6.533 -6.755 317 HD3 LYS 39 3HD LYS 39 -9.231 -4.883 -7.017 318 HE2 LYS 39 2HE LYS 39 -8.974 -5.191 -9.464 319 HE3 LYS 39 3HE LYS 39 -8.413 -6.841 -9.196 320 HZ1 LYS 39 3HZ LYS 39 -10.564 -7.372 -8.227 321 HZ2 LYS 39 1HZ LYS 39 -10.736 -6.792 -9.808 322 HZ3 LYS 39 2HZ LYS 39 -11.099 -5.793 -8.495 323 H ASN 40 H ASN 40 -5.012 -3.263 -7.470 324 HA ASN 40 HA ASN 40 -5.042 -2.217 -10.070 325 HB2 ASN 40 2HB ASN 40 -4.222 -0.762 -7.517 326 HB3 ASN 40 3HB ASN 40 -4.695 0.013 -9.029 327 HD21 ASN 40 1HD2 ASN 40 -5.909 0.332 -6.439 328 HD22 ASN 40 2HD2 ASN 40 -7.548 -0.175 -6.595 329 H LEU 41 H LEU 41 -2.358 -2.531 -7.789 330 HA LEU 41 HA LEU 41 -0.433 -1.330 -9.684 331 HB2 LEU 41 2HB LEU 41 -0.130 -2.062 -6.746 332 HB3 LEU 41 3HB LEU 41 1.052 -1.190 -7.715 333 HG LEU 41 HG LEU 41 -1.718 -0.183 -6.943 334 HD11 LEU 41 1HD1 LEU 41 1.011 0.759 -6.024 335 HD12 LEU 41 2HD1 LEU 41 -0.169 -0.133 -5.061 336 HD13 LEU 41 3HD1 LEU 41 -0.538 1.499 -5.609 337 HD21 LEU 41 3HD2 LEU 41 -1.095 1.941 -8.013 338 HD22 LEU 41 1HD2 LEU 41 -1.129 0.623 -9.183 339 HD23 LEU 41 2HD2 LEU 41 0.416 1.228 -8.581 340 H LYS 42 H LYS 42 -1.580 -4.332 -9.401 341 HA LYS 42 HA LYS 42 -0.925 -6.456 -9.740 342 HB2 LYS 42 2HB LYS 42 1.354 -5.036 -11.176 343 HB3 LYS 42 3HB LYS 42 1.124 -6.777 -11.248 344 HG2 LYS 42 2HG LYS 42 0.209 -5.831 -13.246 345 HG3 LYS 42 3HG LYS 42 -1.134 -6.397 -12.262 346 HD2 LYS 42 2HD LYS 42 -1.558 -4.065 -11.522 347 HD3 LYS 42 3HD LYS 42 -0.211 -3.506 -12.512 348 HE2 LYS 42 2HE LYS 42 -1.395 -4.247 -14.540 349 HE3 LYS 42 3HE LYS 42 -2.737 -4.827 -13.549 350 HZ1 LYS 42 3HZ LYS 42 -1.826 -2.011 -13.798 351 HZ2 LYS 42 1HZ LYS 42 -3.055 -2.545 -12.764 352 HZ3 LYS 42 2HZ LYS 42 -3.241 -2.675 -14.436 353 H LEU 43 H LEU 43 0.085 -5.065 -7.288 354 HA LEU 43 HA LEU 43 2.500 -6.525 -6.512 355 HB2 LEU 43 2HB LEU 43 0.673 -4.681 -4.908 356 HB3 LEU 43 3HB LEU 43 2.168 -5.381 -4.301 357 HG LEU 43 HG LEU 43 1.930 -3.370 -6.571 358 HD11 LEU 43 1HD1 LEU 43 3.079 -1.816 -5.062 359 HD12 LEU 43 2HD1 LEU 43 3.057 -3.028 -3.779 360 HD13 LEU 43 3HD1 LEU 43 1.541 -2.352 -4.382 361 HD21 LEU 43 3HD2 LEU 43 4.396 -3.329 -6.570 362 HD22 LEU 43 1HD2 LEU 43 3.775 -4.914 -7.018 363 HD23 LEU 43 2HD2 LEU 43 4.424 -4.644 -5.399 364 H THR 44 H THR 44 2.349 -7.641 -4.271 365 HA THR 44 HA THR 44 -0.037 -9.389 -4.134 366 HB THR 44 HB THR 44 1.268 -10.880 -2.708 367 HG1 THR 44 HG1 THR 44 3.686 -10.013 -2.631 368 HG21 THR 44 3HG2 THR 44 3.112 -11.547 -4.206 369 HG22 THR 44 1HG2 THR 44 3.005 -9.997 -5.045 370 HG23 THR 44 2HG2 THR 44 1.669 -11.146 -5.139 371 H GLU 45 H GLU 45 -1.064 -9.684 -2.013 372 HA GLU 45 HA GLU 45 -1.457 -7.401 -0.415 373 HB2 GLU 45 2HB GLU 45 -1.873 -10.334 0.288 374 HB3 GLU 45 3HB GLU 45 -2.430 -8.992 1.290 375 HG2 GLU 45 2HG GLU 45 -3.809 -8.193 -0.634 376 HG3 GLU 45 3HG GLU 45 -3.336 -9.644 -1.523 377 H THR 46 H THR 46 0.962 -9.926 -0.199 378 HA THR 46 HA THR 46 2.066 -9.368 2.326 379 HB THR 46 HB THR 46 3.398 -10.478 -0.191 380 HG1 THR 46 HG1 THR 46 2.314 -12.213 0.327 381 HG21 THR 46 3HG2 THR 46 5.109 -9.705 1.424 382 HG22 THR 46 1HG2 THR 46 5.071 -11.470 1.340 383 HG23 THR 46 2HG2 THR 46 4.328 -10.632 2.704 384 H GLN 47 H GLN 47 2.990 -8.140 -0.931 385 HA GLN 47 HA GLN 47 5.142 -6.506 -0.064 386 HB2 GLN 47 2HB GLN 47 3.512 -6.405 -2.623 387 HB3 GLN 47 3HB GLN 47 4.993 -5.487 -2.365 388 HG2 GLN 47 2HG GLN 47 6.286 -7.544 -2.171 389 HG3 GLN 47 3HG GLN 47 4.817 -8.516 -2.295 390 HE21 GLN 47 1HE2 GLN 47 5.604 -5.650 -4.245 391 HE22 GLN 47 2HE2 GLN 47 5.702 -6.503 -5.741 392 H VAL 48 H VAL 48 1.723 -5.722 -0.741 393 HA VAL 48 HA VAL 48 1.860 -2.926 -0.266 394 HB VAL 48 HB VAL 48 -0.507 -4.827 0.142 395 HG11 VAL 48 1HG1 VAL 48 -0.911 -2.706 1.338 396 HG12 VAL 48 2HG1 VAL 48 -1.964 -2.826 -0.070 397 HG13 VAL 48 3HG1 VAL 48 -0.537 -1.787 -0.121 398 HG21 VAL 48 3HG2 VAL 48 -1.223 -4.088 -2.115 399 HG22 VAL 48 1HG2 VAL 48 0.359 -4.870 -2.165 400 HG23 VAL 48 2HG2 VAL 48 0.240 -3.112 -2.266 401 H LYS 49 H LYS 49 1.132 -5.655 1.936 402 HA LYS 49 HA LYS 49 0.834 -4.259 4.353 403 HB2 LYS 49 2HB LYS 49 0.221 -6.605 4.162 404 HB3 LYS 49 3HB LYS 49 1.881 -7.063 3.803 405 HG2 LYS 49 2HG LYS 49 2.551 -6.422 6.108 406 HG3 LYS 49 3HG LYS 49 0.882 -5.967 6.457 407 HD2 LYS 49 2HD LYS 49 1.419 -8.202 7.363 408 HD3 LYS 49 3HD LYS 49 0.149 -8.291 6.141 409 HE2 LYS 49 2HE LYS 49 1.805 -9.047 4.469 410 HE3 LYS 49 3HE LYS 49 3.085 -8.928 5.677 411 HZ1 LYS 49 3HZ LYS 49 1.967 -10.643 6.967 412 HZ2 LYS 49 1HZ LYS 49 2.328 -11.194 5.407 413 HZ3 LYS 49 2HZ LYS 49 0.745 -10.750 5.802 414 H ILE 50 H ILE 50 3.781 -5.494 2.780 415 HA ILE 50 HA ILE 50 5.647 -4.941 4.830 416 HB ILE 50 HB ILE 50 6.002 -5.258 1.818 417 HG12 ILE 50 2HG1 ILE 50 6.755 -7.185 4.073 418 HG13 ILE 50 3HG1 ILE 50 5.240 -7.266 3.180 419 HG21 ILE 50 1HG2 ILE 50 8.451 -5.525 2.219 420 HG22 ILE 50 2HG2 ILE 50 8.215 -5.072 3.908 421 HG23 ILE 50 3HG2 ILE 50 7.888 -3.903 2.631 422 HD11 ILE 50 3HD1 ILE 50 6.864 -8.866 2.361 423 HD12 ILE 50 1HD1 ILE 50 7.989 -7.562 1.986 424 HD13 ILE 50 2HD1 ILE 50 6.454 -7.684 1.121 425 H TRP 51 H TRP 51 4.736 -3.057 1.907 426 HA TRP 51 HA TRP 51 6.482 -0.894 2.306 427 HB2 TRP 51 2HB TRP 51 5.294 -1.286 0.154 428 HB3 TRP 51 3HB TRP 51 3.769 -0.835 0.909 429 HD1 TRP 51 HD1 TRP 51 7.071 0.742 -0.313 430 HE1 TRP 51 HE1 TRP 51 6.756 3.265 -0.567 431 HE3 TRP 51 HE3 TRP 51 2.454 1.181 1.779 432 HZ2 TRP 51 HZ2 TRP 51 4.821 5.196 0.055 433 HZ3 TRP 51 HZ3 TRP 51 1.437 3.409 1.938 434 HH2 TRP 51 HH2 TRP 51 2.602 5.382 1.091 435 H PHE 52 H PHE 52 2.981 -1.129 3.145 436 HA PHE 52 HA PHE 52 2.769 1.311 4.518 437 HB2 PHE 52 2HB PHE 52 1.159 -1.244 4.558 438 HB3 PHE 52 3HB PHE 52 0.797 -0.008 5.754 439 HD1 PHE 52 HD1 PHE 52 0.827 -0.716 2.091 440 HD2 PHE 52 HD2 PHE 52 -0.355 2.028 5.147 441 HE1 PHE 52 HE1 PHE 52 -0.556 0.501 0.469 442 HE2 PHE 52 HE2 PHE 52 -1.739 3.238 3.518 443 HZ PHE 52 HZ PHE 52 -1.842 2.480 1.176 444 H GLN 53 H GLN 53 3.840 -1.848 5.726 445 HA GLN 53 HA GLN 53 3.889 -1.262 8.511 446 HB2 GLN 53 2HB GLN 53 3.917 -3.567 7.647 447 HB3 GLN 53 3HB GLN 53 5.487 -3.302 6.896 448 HG2 GLN 53 2HG GLN 53 6.494 -3.024 9.146 449 HG3 GLN 53 3HG GLN 53 4.917 -3.317 9.879 450 HE21 GLN 53 1HE2 GLN 53 7.564 -4.782 8.139 451 HE22 GLN 53 2HE2 GLN 53 7.126 -6.418 8.462 452 H ASN 54 H ASN 54 6.536 -1.339 6.106 453 HA ASN 54 HA ASN 54 8.613 -0.223 7.613 454 HB2 ASN 54 2HB ASN 54 8.085 -0.018 4.616 455 HB3 ASN 54 3HB ASN 54 9.596 0.468 5.380 456 HD21 ASN 54 1HD2 ASN 54 9.078 -1.575 3.354 457 HD22 ASN 54 2HD2 ASN 54 9.696 -3.049 4.004 458 H ARG 55 H ARG 55 6.095 1.319 5.688 459 HA ARG 55 HA ARG 55 7.108 3.953 5.717 460 HB2 ARG 55 2HB ARG 55 5.149 2.656 4.301 461 HB3 ARG 55 3HB ARG 55 4.145 3.573 5.406 462 HG2 ARG 55 2HG ARG 55 4.401 4.817 3.375 463 HG3 ARG 55 3HG ARG 55 5.285 5.657 4.650 464 HD2 ARG 55 2HD ARG 55 7.412 4.779 3.812 465 HD3 ARG 55 3HD ARG 55 6.565 3.789 2.603 466 HE ARG 55 HE ARG 55 5.871 6.502 2.281 467 HH11 ARG 55 1HH1 ARG 55 8.549 4.387 1.726 468 HH12 ARG 55 2HH1 ARG 55 9.153 5.350 0.423 469 HH21 ARG 55 1HH2 ARG 55 6.645 7.693 0.641 470 HH22 ARG 55 2HH2 ARG 55 8.088 7.213 -0.173 471 H ARG 56 H ARG 56 4.818 2.280 7.881 472 HA ARG 56 HA ARG 56 4.241 4.578 9.522 473 HB2 ARG 56 2HB ARG 56 3.895 1.589 10.016 474 HB3 ARG 56 3HB ARG 56 3.386 2.830 11.162 475 HG2 ARG 56 2HG ARG 56 1.846 3.763 9.464 476 HG3 ARG 56 3HG ARG 56 2.337 2.497 8.334 477 HD2 ARG 56 2HD ARG 56 0.988 2.047 11.015 478 HD3 ARG 56 3HD ARG 56 0.188 1.968 9.445 479 HE ARG 56 HE ARG 56 2.105 0.041 10.554 480 HH11 ARG 56 1HH1 ARG 56 0.039 0.875 7.896 481 HH12 ARG 56 2HH1 ARG 56 0.004 -0.744 7.294 482 HH21 ARG 56 1HH2 ARG 56 2.052 -1.996 9.743 483 HH22 ARG 56 2HH2 ARG 56 1.134 -2.347 8.322 484 H TYR 57 H TYR 57 6.746 2.119 9.450 485 HA TYR 57 HA TYR 57 7.983 2.828 11.951 486 HB2 TYR 57 2HB TYR 57 8.247 0.588 10.893 487 HB3 TYR 57 3HB TYR 57 9.109 1.329 9.553 488 HD1 TYR 57 HD1 TYR 57 9.293 0.948 13.285 489 HD2 TYR 57 HD2 TYR 57 11.497 1.443 9.647 490 HE1 TYR 57 HE1 TYR 57 11.396 0.643 14.514 491 HE2 TYR 57 HE2 TYR 57 13.597 1.141 10.884 492 HH TYR 57 HH TYR 57 13.725 -0.040 14.059 493 H LYS 58 H LYS 58 8.123 4.087 8.668 494 HA LYS 58 HA LYS 58 10.616 5.528 8.920 495 HB2 LYS 58 2HB LYS 58 8.359 5.806 6.898 496 HB3 LYS 58 3HB LYS 58 9.879 6.678 6.794 497 HG2 LYS 58 2HG LYS 58 9.589 3.660 6.640 498 HG3 LYS 58 3HG LYS 58 9.741 4.734 5.261 499 HD2 LYS 58 2HD LYS 58 11.923 3.946 5.486 500 HD3 LYS 58 3HD LYS 58 12.006 5.460 6.376 501 HE2 LYS 58 2HE LYS 58 11.779 4.188 8.505 502 HE3 LYS 58 3HE LYS 58 11.721 2.686 7.584 503 HZ1 LYS 58 3HZ LYS 58 13.934 3.119 6.773 504 HZ2 LYS 58 1HZ LYS 58 13.929 3.146 8.463 505 HZ3 LYS 58 2HZ LYS 58 13.992 4.595 7.593 506 H THR 59 H THR 59 7.470 6.070 10.083 507 HA THR 59 HA THR 59 8.055 8.915 10.686 508 HB THR 59 HB THR 59 6.090 8.754 9.182 509 HG1 THR 59 HG1 THR 59 4.530 9.697 10.834 510 HG21 THR 59 3HG2 THR 59 5.283 6.485 9.781 511 HG22 THR 59 1HG2 THR 59 3.990 7.686 9.901 512 HG23 THR 59 2HG2 THR 59 4.777 7.085 11.360 513 H LYS 60 H LYS 60 6.650 9.531 12.791 514 HA LYS 60 HA LYS 60 6.613 9.462 15.056 515 HB2 LYS 60 2HB LYS 60 6.082 6.514 14.553 516 HB3 LYS 60 3HB LYS 60 6.081 7.205 16.170 517 HG2 LYS 60 2HG LYS 60 4.223 8.709 15.509 518 HG3 LYS 60 3HG LYS 60 4.201 7.951 13.910 519 HD2 LYS 60 2HD LYS 60 3.597 5.800 14.879 520 HD3 LYS 60 3HD LYS 60 3.795 6.430 16.516 521 HE2 LYS 60 2HE LYS 60 1.426 6.256 15.937 522 HE3 LYS 60 3HE LYS 60 1.877 7.944 16.163 523 HZ1 LYS 60 3HZ LYS 60 0.443 7.575 14.236 524 HZ2 LYS 60 1HZ LYS 60 1.629 6.606 13.524 525 HZ3 LYS 60 2HZ LYS 60 1.931 8.243 13.802 526 H ARG 61 H ARG 61 9.196 8.823 13.512 527 HA ARG 61 HA ARG 61 10.893 7.236 15.122 528 HB2 ARG 61 2HB ARG 61 11.466 7.781 12.815 529 HB3 ARG 61 3HB ARG 61 11.510 9.502 13.173 530 HG2 ARG 61 2HG ARG 61 13.506 9.171 14.587 531 HG3 ARG 61 3HG ARG 61 13.440 7.434 14.286 532 HD2 ARG 61 2HD ARG 61 13.801 9.504 12.096 533 HD3 ARG 61 3HD ARG 61 15.144 8.701 12.918 534 HE ARG 61 HE ARG 61 13.534 6.664 11.994 535 HH11 ARG 61 1HH1 ARG 61 15.212 9.286 10.462 536 HH12 ARG 61 2HH1 ARG 61 15.527 8.371 9.032 537 HH21 ARG 61 1HH2 ARG 61 13.988 5.529 10.168 538 HH22 ARG 61 2HH2 ARG 61 14.842 6.280 8.866 539 H LYS 62 H LYS 62 12.509 7.852 16.629 540 HA LYS 62 HA LYS 62 11.734 9.421 18.771 541 HB2 LYS 62 2HB LYS 62 13.307 7.564 18.944 542 HB3 LYS 62 3HB LYS 62 14.491 8.416 17.968 543 HG2 LYS 62 2HG LYS 62 15.001 9.957 19.727 544 HG3 LYS 62 3HG LYS 62 13.586 9.468 20.663 545 HD2 LYS 62 2HD LYS 62 15.963 7.664 20.057 546 HD3 LYS 62 3HD LYS 62 15.746 8.561 21.562 547 HE2 LYS 62 2HE LYS 62 13.672 7.311 22.024 548 HE3 LYS 62 3HE LYS 62 13.842 6.440 20.501 549 HZ1 LYS 62 3HZ LYS 62 15.945 5.533 21.355 550 HZ2 LYS 62 1HZ LYS 62 14.609 5.081 22.283 551 HZ3 LYS 62 2HZ LYS 62 15.656 6.282 22.838 552 H GLN 63 H GLN 63 12.735 11.324 19.740 553 HA GLN 63 HA GLN 63 12.911 13.679 18.345 554 HB2 GLN 63 2HB GLN 63 14.274 12.949 20.971 555 HB3 GLN 63 3HB GLN 63 14.218 14.586 20.345 556 HG2 GLN 63 2HG GLN 63 12.458 14.693 21.800 557 HG3 GLN 63 3HG GLN 63 11.596 14.177 20.358 558 HE21 GLN 63 1HE2 GLN 63 10.829 13.879 23.135 559 HE22 GLN 63 2HE2 GLN 63 10.624 12.189 23.416 560 H LEU 64 H LEU 64 14.611 15.017 17.604 561 HA LEU 64 HA LEU 64 16.686 13.775 16.158 562 HB2 LEU 64 2HB LEU 64 15.636 15.920 15.517 563 HB3 LEU 64 3HB LEU 64 16.365 16.705 16.907 564 HG LEU 64 HG LEU 64 18.637 16.302 15.925 565 HD11 LEU 64 1HD1 LEU 64 17.143 15.217 13.517 566 HD12 LEU 64 2HD1 LEU 64 18.163 14.289 14.620 567 HD13 LEU 64 3HD1 LEU 64 18.880 15.534 13.600 568 HD21 LEU 64 3HD2 LEU 64 16.757 17.786 14.055 569 HD22 LEU 64 1HD2 LEU 64 18.510 17.980 14.135 570 HD23 LEU 64 2HD2 LEU 64 17.511 18.448 15.507 571 H SER 65 H SER 65 16.667 15.133 19.394 572 HA SER 65 HA SER 65 19.434 15.210 19.956 573 HB2 SER 65 2HB SER 65 18.762 15.083 22.335 574 HB3 SER 65 3HB SER 65 17.690 16.175 21.459 575 HG SER 65 HG SER 65 16.354 14.900 22.634 576 H SER 66 H SER 66 17.045 12.604 20.102 577 HA SER 66 HA SER 66 17.041 10.389 20.508 578 HB2 SER 66 2HB SER 66 18.677 9.028 19.334 579 HB3 SER 66 3HB SER 66 18.342 10.453 18.356 580 HG SER 66 HG SER 66 20.303 11.323 18.976 581 H GLU 67 H GLU 67 18.082 12.114 22.644 582 HA GLU 67 HA GLU 67 20.229 10.919 24.070 583 HB2 GLU 67 2HB GLU 67 19.570 13.246 24.436 584 HB3 GLU 67 3HB GLU 67 17.974 12.751 24.984 585 HG2 GLU 67 2HG GLU 67 19.092 11.574 26.924 586 HG3 GLU 67 3HG GLU 67 20.617 12.290 26.407 587 H LEU 68 H LEU 68 16.750 10.957 24.901 588 HA LEU 68 HA LEU 68 16.691 8.951 26.801 589 HB2 LEU 68 2HB LEU 68 14.294 8.795 26.451 590 HB3 LEU 68 3HB LEU 68 14.790 10.469 26.379 591 HG LEU 68 HG LEU 68 14.054 8.764 23.952 592 HD11 LEU 68 1HD1 LEU 68 12.447 10.936 25.337 593 HD12 LEU 68 2HD1 LEU 68 12.093 9.206 25.347 594 HD13 LEU 68 3HD1 LEU 68 11.995 10.112 23.840 595 HD21 LEU 68 3HD2 LEU 68 15.652 10.526 23.324 596 HD22 LEU 68 1HD2 LEU 68 14.633 11.751 24.086 597 HD23 LEU 68 2HD2 LEU 68 14.056 10.876 22.664 598 H GLY 69 H GLY 69 16.660 6.739 26.785 599 HA2 GLY 69 2HA GLY 69 16.540 5.249 24.214 600 HA3 GLY 69 3HA GLY 69 17.877 5.004 25.326 Start of MODEL 12 1 H1 MET 1 1H MET 1 39.688 -12.173 -2.066 2 H2 MET 1 2H MET 1 39.244 -11.660 -0.518 3 H3 MET 1 3H MET 1 38.292 -11.247 -1.851 4 HA MET 1 HA MET 1 37.705 -13.526 -2.220 5 HB2 MET 1 2HB MET 1 39.422 -14.039 0.247 6 HB3 MET 1 3HB MET 1 38.374 -15.241 -0.500 7 HG2 MET 1 2HG MET 1 40.745 -13.917 -1.834 8 HG3 MET 1 3HG MET 1 40.729 -15.542 -1.149 9 HE1 MET 1 3HE MET 1 38.194 -17.355 -3.590 10 HE2 MET 1 1HE MET 1 37.772 -16.567 -2.074 11 HE3 MET 1 2HE MET 1 39.229 -17.561 -2.175 12 H GLY 2 H GLY 2 35.741 -14.225 -1.376 13 HA2 GLY 2 2HA GLY 2 34.370 -14.431 0.748 14 HA3 GLY 2 3HA GLY 2 34.605 -12.695 0.901 15 H HIS 3 H HIS 3 32.151 -12.994 0.964 16 HA HIS 3 HA HIS 3 31.069 -12.336 -1.690 17 HB2 HIS 3 2HB HIS 3 28.984 -13.720 -1.185 18 HB3 HIS 3 3HB HIS 3 30.425 -14.646 -1.566 19 HD1 HIS 3 HD1 HIS 3 28.007 -13.982 1.197 20 HD2 HIS 3 HD2 HIS 3 31.454 -16.193 0.556 21 HE1 HIS 3 HE1 HIS 3 28.188 -15.528 3.157 22 HE2 HIS 3 HE2 HIS 3 30.369 -16.720 2.829 23 H HIS 4 H HIS 4 29.744 -10.631 -1.656 24 HA HIS 4 HA HIS 4 28.147 -9.800 0.585 25 HB2 HIS 4 2HB HIS 4 30.332 -8.987 1.407 26 HB3 HIS 4 3HB HIS 4 30.627 -8.148 -0.109 27 HD1 HIS 4 HD1 HIS 4 28.120 -8.035 2.765 28 HD2 HIS 4 HD2 HIS 4 29.847 -5.526 -0.055 29 HE1 HIS 4 HE1 HIS 4 27.330 -5.728 3.335 30 HE2 HIS 4 HE2 HIS 4 28.188 -4.286 1.473 31 H HIS 5 H HIS 5 26.343 -9.053 -0.416 32 HA HIS 5 HA HIS 5 26.478 -7.114 -2.578 33 HB2 HIS 5 2HB HIS 5 26.683 -9.276 -3.805 34 HB3 HIS 5 3HB HIS 5 25.175 -9.827 -3.084 35 HD1 HIS 5 HD1 HIS 5 23.119 -9.366 -4.451 36 HD2 HIS 5 HD2 HIS 5 26.257 -6.867 -5.514 37 HE1 HIS 5 HE1 HIS 5 22.285 -8.029 -6.387 38 HE2 HIS 5 HE2 HIS 5 24.129 -6.395 -6.884 39 H HIS 6 H HIS 6 25.134 -5.618 -1.711 40 HA HIS 6 HA HIS 6 22.617 -6.366 -0.402 41 HB2 HIS 6 2HB HIS 6 23.977 -4.587 0.633 42 HB3 HIS 6 3HB HIS 6 23.908 -3.636 -0.849 43 HD1 HIS 6 HD1 HIS 6 21.496 -5.031 1.763 44 HD2 HIS 6 HD2 HIS 6 21.823 -1.838 -0.873 45 HE1 HIS 6 HE1 HIS 6 19.487 -3.601 2.184 46 HE2 HIS 6 HE2 HIS 6 19.784 -1.613 0.690 47 H HIS 7 H HIS 7 20.796 -6.612 -1.602 48 HA HIS 7 HA HIS 7 20.484 -5.268 -4.202 49 HB2 HIS 7 2HB HIS 7 18.462 -6.670 -4.466 50 HB3 HIS 7 3HB HIS 7 19.871 -7.645 -4.076 51 HD1 HIS 7 HD1 HIS 7 19.715 -9.093 -1.983 52 HD2 HIS 7 HD2 HIS 7 16.520 -6.489 -2.350 53 HE1 HIS 7 HE1 HIS 7 18.073 -9.816 -0.251 54 HE2 HIS 7 HE2 HIS 7 16.072 -8.352 -0.643 55 H HIS 8 H HIS 8 18.850 -3.727 -4.637 56 HA HIS 8 HA HIS 8 17.492 -2.534 -2.303 57 HB2 HIS 8 2HB HIS 8 17.071 -0.564 -3.715 58 HB3 HIS 8 3HB HIS 8 18.778 -0.944 -3.623 59 HD1 HIS 8 HD1 HIS 8 19.961 -1.567 -5.840 60 HD2 HIS 8 HD2 HIS 8 15.925 -0.742 -6.300 61 HE1 HIS 8 HE1 HIS 8 19.616 -1.266 -8.294 62 HE2 HIS 8 HE2 HIS 8 17.205 -0.620 -8.531 63 H SER 9 H SER 9 15.475 -3.182 -1.884 64 HA SER 9 HA SER 9 13.713 -4.096 -4.095 65 HB2 SER 9 2HB SER 9 13.676 -4.908 -1.159 66 HB3 SER 9 3HB SER 9 12.475 -5.409 -2.349 67 HG SER 9 HG SER 9 13.951 -7.012 -2.270 68 H HIS 10 H HIS 10 13.151 -1.895 -4.515 69 HA HIS 10 HA HIS 10 11.011 -0.871 -2.728 70 HB2 HIS 10 2HB HIS 10 12.840 0.700 -4.601 71 HB3 HIS 10 3HB HIS 10 11.451 1.388 -3.762 72 HD1 HIS 10 HD1 HIS 10 11.699 1.852 -1.235 73 HD2 HIS 10 HD2 HIS 10 15.113 0.246 -2.975 74 HE1 HIS 10 HE1 HIS 10 13.517 2.119 0.473 75 HE2 HIS 10 HE2 HIS 10 15.518 0.993 -0.540 76 H MET 11 H MET 11 9.042 -0.420 -3.661 77 HA MET 11 HA MET 11 8.198 -1.604 -6.048 78 HB2 MET 11 2HB MET 11 6.959 0.630 -4.396 79 HB3 MET 11 3HB MET 11 6.125 -0.171 -5.721 80 HG2 MET 11 2HG MET 11 5.392 -1.099 -3.612 81 HG3 MET 11 3HG MET 11 6.297 -2.323 -4.505 82 HE1 MET 11 3HE MET 11 7.214 -3.187 -0.779 83 HE2 MET 11 1HE MET 11 6.562 -3.806 -2.295 84 HE3 MET 11 2HE MET 11 5.651 -2.616 -1.363 85 H SER 12 H SER 12 7.057 -0.350 -7.880 86 HA SER 12 HA SER 12 9.011 1.135 -9.369 87 HB2 SER 12 2HB SER 12 7.335 -0.350 -10.470 88 HB3 SER 12 3HB SER 12 6.049 0.747 -9.972 89 HG SER 12 HG SER 12 7.415 0.852 -12.171 90 H HIS 13 H HIS 13 8.572 3.374 -10.350 91 HA HIS 13 HA HIS 13 8.549 5.234 -8.250 92 HB2 HIS 13 2HB HIS 13 9.762 5.628 -10.347 93 HB3 HIS 13 3HB HIS 13 8.252 5.751 -11.238 94 HD1 HIS 13 HD1 HIS 13 10.433 7.673 -8.857 95 HD2 HIS 13 HD2 HIS 13 6.914 8.242 -10.989 96 HE1 HIS 13 HE1 HIS 13 9.956 10.127 -8.738 97 HE2 HIS 13 HE2 HIS 13 7.782 10.424 -9.947 98 H THR 14 H THR 14 6.130 5.130 -10.920 99 HA THR 14 HA THR 14 4.229 6.874 -9.807 100 HB THR 14 HB THR 14 3.737 4.574 -11.756 101 HG1 THR 14 HG1 THR 14 4.062 7.223 -12.627 102 HG21 THR 14 3HG2 THR 14 1.608 5.520 -10.900 103 HG22 THR 14 1HG2 THR 14 1.853 5.918 -12.614 104 HG23 THR 14 2HG2 THR 14 2.137 7.132 -11.370 105 H GLN 15 H GLN 15 4.722 3.448 -9.391 106 HA GLN 15 HA GLN 15 2.288 2.673 -8.171 107 HB2 GLN 15 2HB GLN 15 3.806 1.099 -9.222 108 HB3 GLN 15 3HB GLN 15 5.090 1.508 -8.094 109 HG2 GLN 15 2HG GLN 15 3.916 0.440 -6.268 110 HG3 GLN 15 3HG GLN 15 2.486 0.181 -7.278 111 HE21 GLN 15 1HE2 GLN 15 2.570 -1.407 -8.884 112 HE22 GLN 15 2HE2 GLN 15 3.757 -2.653 -8.858 113 H VAL 16 H VAL 16 5.443 3.627 -6.736 114 HA VAL 16 HA VAL 16 4.781 3.374 -4.015 115 HB VAL 16 HB VAL 16 6.795 5.260 -5.347 116 HG11 VAL 16 1HG1 VAL 16 6.510 4.610 -2.385 117 HG12 VAL 16 2HG1 VAL 16 6.210 6.173 -3.145 118 HG13 VAL 16 3HG1 VAL 16 7.845 5.516 -3.106 119 HG21 VAL 16 3HG2 VAL 16 8.498 3.628 -4.607 120 HG22 VAL 16 1HG2 VAL 16 7.305 2.857 -5.651 121 HG23 VAL 16 2HG2 VAL 16 7.238 2.607 -3.908 122 H ILE 17 H ILE 17 4.487 6.128 -6.257 123 HA ILE 17 HA ILE 17 3.503 8.065 -4.466 124 HB ILE 17 HB ILE 17 2.894 7.821 -7.450 125 HG12 ILE 17 2HG1 ILE 17 5.188 9.332 -6.093 126 HG13 ILE 17 3HG1 ILE 17 5.350 7.820 -6.970 127 HG21 ILE 17 1HG2 ILE 17 2.778 10.279 -5.652 128 HG22 ILE 17 2HG2 ILE 17 1.393 9.423 -6.332 129 HG23 ILE 17 3HG2 ILE 17 2.513 10.269 -7.398 130 HD11 ILE 17 3HD1 ILE 17 6.088 9.691 -8.307 131 HD12 ILE 17 1HD1 ILE 17 4.512 10.467 -8.150 132 HD13 ILE 17 2HD1 ILE 17 4.665 8.945 -9.032 133 H GLU 18 H GLU 18 1.781 5.588 -6.396 134 HA GLU 18 HA GLU 18 -0.885 6.290 -5.718 135 HB2 GLU 18 2HB GLU 18 0.363 3.654 -6.579 136 HB3 GLU 18 3HB GLU 18 -1.369 3.840 -6.340 137 HG2 GLU 18 2HG GLU 18 0.311 5.381 -8.338 138 HG3 GLU 18 3HG GLU 18 -0.730 4.008 -8.710 139 H LEU 19 H LEU 19 1.374 3.971 -4.240 140 HA LEU 19 HA LEU 19 -0.211 3.036 -2.107 141 HB2 LEU 19 2HB LEU 19 2.795 3.390 -2.406 142 HB3 LEU 19 3HB LEU 19 2.077 2.605 -1.015 143 HG LEU 19 HG LEU 19 1.701 1.573 -3.851 144 HD11 LEU 19 1HD1 LEU 19 3.447 -0.086 -3.388 145 HD12 LEU 19 2HD1 LEU 19 3.794 0.686 -1.839 146 HD13 LEU 19 3HD1 LEU 19 4.096 1.552 -3.348 147 HD21 LEU 19 3HD2 LEU 19 1.277 0.236 -1.153 148 HD22 LEU 19 1HD2 LEU 19 1.059 -0.523 -2.733 149 HD23 LEU 19 2HD2 LEU 19 0.013 0.806 -2.245 150 H GLU 20 H GLU 20 1.898 5.903 -2.386 151 HA GLU 20 HA GLU 20 1.724 6.850 0.276 152 HB2 GLU 20 2HB GLU 20 2.412 8.216 -2.345 153 HB3 GLU 20 3HB GLU 20 2.488 9.062 -0.811 154 HG2 GLU 20 2HG GLU 20 4.070 6.522 -1.242 155 HG3 GLU 20 3HG GLU 20 4.665 8.068 -1.840 156 H ARG 21 H ARG 21 -0.228 7.540 -2.636 157 HA ARG 21 HA ARG 21 -1.918 9.542 -1.643 158 HB2 ARG 21 2HB ARG 21 -2.490 7.331 -3.656 159 HB3 ARG 21 3HB ARG 21 -3.601 8.661 -3.337 160 HG2 ARG 21 2HG ARG 21 -1.946 10.281 -4.139 161 HG3 ARG 21 3HG ARG 21 -0.771 8.989 -4.385 162 HD2 ARG 21 2HD ARG 21 -1.783 9.610 -6.516 163 HD3 ARG 21 3HD ARG 21 -2.260 7.965 -6.081 164 HE ARG 21 HE ARG 21 -4.109 10.074 -5.325 165 HH11 ARG 21 1HH1 ARG 21 -3.374 7.606 -7.660 166 HH12 ARG 21 2HH1 ARG 21 -4.951 7.675 -8.363 167 HH21 ARG 21 1HH2 ARG 21 -6.102 10.135 -6.266 168 HH22 ARG 21 2HH2 ARG 21 -6.471 9.089 -7.593 169 H LYS 22 H LYS 22 -2.079 6.035 -1.287 170 HA LYS 22 HA LYS 22 -4.606 6.042 0.119 171 HB2 LYS 22 2HB LYS 22 -3.765 4.202 -1.419 172 HB3 LYS 22 3HB LYS 22 -2.613 3.765 -0.166 173 HG2 LYS 22 2HG LYS 22 -4.540 2.281 -0.110 174 HG3 LYS 22 3HG LYS 22 -4.464 3.245 1.366 175 HD2 LYS 22 2HD LYS 22 -6.241 4.735 0.532 176 HD3 LYS 22 3HD LYS 22 -6.275 3.873 -1.009 177 HE2 LYS 22 2HE LYS 22 -7.099 1.862 0.095 178 HE3 LYS 22 3HE LYS 22 -6.940 2.626 1.675 179 HZ1 LYS 22 3HZ LYS 22 -8.621 4.213 1.051 180 HZ2 LYS 22 1HZ LYS 22 -9.224 2.648 0.888 181 HZ3 LYS 22 2HZ LYS 22 -8.768 3.529 -0.482 182 H PHE 23 H PHE 23 -1.181 5.807 1.017 183 HA PHE 23 HA PHE 23 -1.471 5.198 3.772 184 HB2 PHE 23 2HB PHE 23 0.630 4.872 2.445 185 HB3 PHE 23 3HB PHE 23 0.845 6.615 2.386 186 HD1 PHE 23 HD2 PHE 23 0.678 3.713 4.735 187 HD2 PHE 23 HD1 PHE 23 1.988 7.742 4.190 188 HE1 PHE 23 HE2 PHE 23 1.928 3.583 6.836 189 HE2 PHE 23 HE1 PHE 23 3.243 7.609 6.294 190 HZ PHE 23 HZ PHE 23 3.216 5.531 7.626 191 H SER 24 H SER 24 -1.232 8.288 2.041 192 HA SER 24 HA SER 24 -1.126 10.044 4.246 193 HB2 SER 24 2HB SER 24 -1.762 11.800 2.613 194 HB3 SER 24 3HB SER 24 -0.518 10.738 1.951 195 HG SER 24 HG SER 24 -1.982 9.825 0.624 196 H HIS 25 H HIS 25 -3.854 8.438 2.643 197 HA HIS 25 HA HIS 25 -5.871 9.903 4.119 198 HB2 HIS 25 2HB HIS 25 -5.925 7.525 2.237 199 HB3 HIS 25 3HB HIS 25 -7.361 7.982 3.147 200 HD1 HIS 25 HD1 HIS 25 -8.884 9.186 1.632 201 HD2 HIS 25 HD2 HIS 25 -4.933 10.230 0.918 202 HE1 HIS 25 HE1 HIS 25 -8.963 10.926 -0.160 203 HE2 HIS 25 HE2 HIS 25 -6.556 11.361 -0.726 204 H GLN 26 H GLN 26 -4.307 6.723 4.356 205 HA GLN 26 HA GLN 26 -5.129 6.419 7.139 206 HB2 GLN 26 2HB GLN 26 -6.149 4.180 6.781 207 HB3 GLN 26 3HB GLN 26 -7.051 5.471 5.996 208 HG2 GLN 26 2HG GLN 26 -5.968 4.843 3.825 209 HG3 GLN 26 3HG GLN 26 -5.199 3.486 4.649 210 HE21 GLN 26 1HE2 GLN 26 -6.531 1.772 5.391 211 HE22 GLN 26 2HE2 GLN 26 -8.095 1.508 4.715 212 H LYS 27 H LYS 27 -3.706 5.314 8.323 213 HA LYS 27 HA LYS 27 -1.084 4.851 7.293 214 HB2 LYS 27 2HB LYS 27 -2.369 4.496 10.019 215 HB3 LYS 27 3HB LYS 27 -0.659 4.227 9.739 216 HG2 LYS 27 2HG LYS 27 -2.084 6.848 9.213 217 HG3 LYS 27 3HG LYS 27 -1.170 6.478 10.678 218 HD2 LYS 27 2HD LYS 27 0.906 6.346 9.452 219 HD3 LYS 27 3HD LYS 27 0.070 6.388 7.899 220 HE2 LYS 27 2HE LYS 27 0.070 8.678 9.888 221 HE3 LYS 27 3HE LYS 27 1.179 8.550 8.522 222 HZ1 LYS 27 3HZ LYS 27 -0.694 8.583 7.019 223 HZ2 LYS 27 1HZ LYS 27 -0.734 9.949 8.015 224 HZ3 LYS 27 2HZ LYS 27 -1.783 8.658 8.309 225 H TYR 28 H TYR 28 -3.750 2.724 7.981 226 HA TYR 28 HA TYR 28 -2.204 0.384 7.080 227 HB2 TYR 28 2HB TYR 28 -3.916 0.448 9.611 228 HB3 TYR 28 3HB TYR 28 -3.395 -1.043 8.831 229 HD1 TYR 28 HD2 TYR 28 -0.899 -1.543 8.668 230 HD2 TYR 28 HD1 TYR 28 -2.429 1.614 11.117 231 HE1 TYR 28 HE2 TYR 28 1.204 -1.515 9.932 232 HE2 TYR 28 HE1 TYR 28 -0.328 1.644 12.390 233 HH TYR 28 HH TYR 28 2.481 -0.021 11.334 234 H LEU 29 H LEU 29 -3.379 -1.049 5.848 235 HA LEU 29 HA LEU 29 -6.121 -0.285 5.071 236 HB2 LEU 29 2HB LEU 29 -4.261 -2.356 3.838 237 HB3 LEU 29 3HB LEU 29 -5.780 -1.787 3.158 238 HG LEU 29 HG LEU 29 -3.207 -0.202 3.456 239 HD11 LEU 29 1HD1 LEU 29 -4.696 -1.081 0.975 240 HD12 LEU 29 2HD1 LEU 29 -3.190 -1.768 1.591 241 HD13 LEU 29 3HD1 LEU 29 -3.226 -0.100 1.021 242 HD21 LEU 29 3HD2 LEU 29 -5.082 1.276 3.932 243 HD22 LEU 29 1HD2 LEU 29 -5.894 0.766 2.447 244 HD23 LEU 29 2HD2 LEU 29 -4.374 1.660 2.370 245 H SER 30 H SER 30 -7.858 -1.749 5.140 246 HA SER 30 HA SER 30 -7.663 -4.150 6.791 247 HB2 SER 30 2HB SER 30 -10.005 -3.065 5.166 248 HB3 SER 30 3HB SER 30 -10.092 -4.396 6.321 249 HG SER 30 HG SER 30 -10.772 -2.430 7.238 250 H ALA 31 H ALA 31 -8.613 -6.231 5.809 251 HA ALA 31 HA ALA 31 -6.982 -7.179 3.778 252 HB1 ALA 31 3HB ALA 31 -8.069 -8.613 5.446 253 HB2 ALA 31 1HB ALA 31 -8.312 -9.218 3.816 254 HB3 ALA 31 2HB ALA 31 -9.626 -8.377 4.647 255 HA PRO 32 HA PRO 32 -10.601 -6.551 0.456 256 HB2 PRO 32 2HB PRO 32 -12.222 -4.329 0.988 257 HB3 PRO 32 3HB PRO 32 -12.694 -6.018 1.276 258 HG2 PRO 32 2HG PRO 32 -11.590 -4.007 3.214 259 HG3 PRO 32 3HG PRO 32 -12.923 -5.168 3.434 260 HD2 PRO 32 2HD PRO 32 -10.492 -5.663 4.454 261 HD3 PRO 32 3HD PRO 32 -11.462 -6.979 3.756 262 H GLU 33 H GLU 33 -9.675 -3.495 2.183 263 HA GLU 33 HA GLU 33 -9.187 -1.928 -0.107 264 HB2 GLU 33 2HB GLU 33 -8.269 -1.680 2.775 265 HB3 GLU 33 3HB GLU 33 -7.726 -0.527 1.566 266 HG2 GLU 33 2HG GLU 33 -9.599 0.401 2.784 267 HG3 GLU 33 3HG GLU 33 -10.070 0.115 1.111 268 H ARG 34 H ARG 34 -7.029 -4.028 1.715 269 HA ARG 34 HA ARG 34 -4.591 -3.212 0.469 270 HB2 ARG 34 2HB ARG 34 -4.818 -4.255 2.745 271 HB3 ARG 34 3HB ARG 34 -5.203 -5.784 1.965 272 HG2 ARG 34 2HG ARG 34 -2.943 -5.741 0.882 273 HG3 ARG 34 3HG ARG 34 -2.577 -4.269 1.792 274 HD2 ARG 34 2HD ARG 34 -1.676 -6.328 2.872 275 HD3 ARG 34 3HD ARG 34 -2.824 -5.460 3.903 276 HE ARG 34 HE ARG 34 -3.896 -7.606 2.250 277 HH11 ARG 34 1HH1 ARG 34 -2.861 -6.712 5.436 278 HH12 ARG 34 2HH1 ARG 34 -3.657 -8.062 6.161 279 HH21 ARG 34 1HH2 ARG 34 -4.920 -9.250 3.190 280 HH22 ARG 34 2HH2 ARG 34 -4.835 -9.469 4.903 281 H ALA 35 H ALA 35 -6.825 -5.944 -0.015 282 HA ALA 35 HA ALA 35 -5.457 -7.302 -2.071 283 HB1 ALA 35 3HB ALA 35 -7.615 -8.400 -2.518 284 HB2 ALA 35 1HB ALA 35 -8.444 -7.180 -1.535 285 HB3 ALA 35 2HB ALA 35 -7.305 -8.297 -0.785 286 H HIS 36 H HIS 36 -8.040 -4.840 -2.249 287 HA HIS 36 HA HIS 36 -8.266 -4.720 -5.056 288 HB2 HIS 36 2HB HIS 36 -8.965 -2.652 -2.940 289 HB3 HIS 36 3HB HIS 36 -9.382 -2.480 -4.641 290 HD1 HIS 36 HD1 HIS 36 -10.284 -5.508 -5.037 291 HD2 HIS 36 HD2 HIS 36 -11.573 -2.967 -2.015 292 HE1 HIS 36 HE1 HIS 36 -12.501 -6.392 -4.306 293 HE2 HIS 36 HE2 HIS 36 -13.158 -4.973 -2.354 294 H LEU 37 H LEU 37 -6.313 -2.696 -2.791 295 HA LEU 37 HA LEU 37 -5.225 -0.962 -4.780 296 HB2 LEU 37 2HB LEU 37 -5.241 -0.488 -2.311 297 HB3 LEU 37 3HB LEU 37 -3.997 -1.707 -2.097 298 HG LEU 37 HG LEU 37 -2.474 -0.330 -3.585 299 HD11 LEU 37 1HD1 LEU 37 -4.162 0.933 -4.821 300 HD12 LEU 37 2HD1 LEU 37 -3.011 2.016 -4.044 301 HD13 LEU 37 3HD1 LEU 37 -4.623 1.800 -3.352 302 HD21 LEU 37 3HD2 LEU 37 -3.447 1.063 -1.068 303 HD22 LEU 37 1HD2 LEU 37 -1.907 1.353 -1.884 304 HD23 LEU 37 2HD2 LEU 37 -2.235 -0.218 -1.160 305 H ALA 38 H ALA 38 -4.085 -4.026 -3.395 306 HA ALA 38 HA ALA 38 -1.553 -4.221 -4.559 307 HB1 ALA 38 3HB ALA 38 -3.451 -6.494 -3.888 308 HB2 ALA 38 1HB ALA 38 -2.331 -5.716 -2.772 309 HB3 ALA 38 2HB ALA 38 -1.708 -6.640 -4.139 310 H LYS 39 H LYS 39 -4.658 -5.564 -5.817 311 HA LYS 39 HA LYS 39 -3.495 -6.641 -8.195 312 HB2 LYS 39 2HB LYS 39 -5.801 -7.054 -8.953 313 HB3 LYS 39 3HB LYS 39 -5.559 -7.565 -7.289 314 HG2 LYS 39 2HG LYS 39 -6.694 -5.508 -6.499 315 HG3 LYS 39 3HG LYS 39 -6.971 -5.026 -8.170 316 HD2 LYS 39 2HD LYS 39 -8.028 -7.633 -7.023 317 HD3 LYS 39 3HD LYS 39 -8.930 -6.125 -6.922 318 HE2 LYS 39 2HE LYS 39 -9.755 -7.402 -8.801 319 HE3 LYS 39 3HE LYS 39 -8.910 -5.985 -9.413 320 HZ1 LYS 39 3HZ LYS 39 -8.428 -8.007 -10.662 321 HZ2 LYS 39 1HZ LYS 39 -7.768 -8.723 -9.286 322 HZ3 LYS 39 2HZ LYS 39 -7.035 -7.362 -9.972 323 H ASN 40 H ASN 40 -4.964 -3.475 -7.514 324 HA ASN 40 HA ASN 40 -5.092 -2.396 -10.113 325 HB2 ASN 40 2HB ASN 40 -4.417 -0.980 -7.494 326 HB3 ASN 40 3HB ASN 40 -4.771 -0.142 -9.002 327 HD21 ASN 40 1HD2 ASN 40 -6.162 0.024 -6.470 328 HD22 ASN 40 2HD2 ASN 40 -7.792 -0.449 -6.775 329 H LEU 41 H LEU 41 -2.405 -2.513 -7.804 330 HA LEU 41 HA LEU 41 -0.512 -1.227 -9.664 331 HB2 LEU 41 2HB LEU 41 -0.220 -2.071 -6.755 332 HB3 LEU 41 3HB LEU 41 0.985 -1.177 -7.674 333 HG LEU 41 HG LEU 41 -1.797 -0.170 -6.950 334 HD11 LEU 41 1HD1 LEU 41 -0.663 1.428 -5.486 335 HD12 LEU 41 2HD1 LEU 41 0.895 0.692 -5.866 336 HD13 LEU 41 3HD1 LEU 41 -0.333 -0.236 -5.003 337 HD21 LEU 41 3HD2 LEU 41 -1.103 1.978 -7.902 338 HD22 LEU 41 1HD2 LEU 41 -1.085 0.708 -9.123 339 HD23 LEU 41 2HD2 LEU 41 0.432 1.275 -8.418 340 H LYS 42 H LYS 42 -1.561 -4.308 -9.355 341 HA LYS 42 HA LYS 42 -0.851 -6.375 -9.778 342 HB2 LYS 42 2HB LYS 42 1.309 -4.818 -11.228 343 HB3 LYS 42 3HB LYS 42 1.274 -6.573 -11.266 344 HG2 LYS 42 2HG LYS 42 0.249 -5.666 -13.274 345 HG3 LYS 42 3HG LYS 42 -0.950 -6.525 -12.322 346 HD2 LYS 42 2HD LYS 42 -1.806 -4.347 -11.472 347 HD3 LYS 42 3HD LYS 42 -0.608 -3.502 -12.452 348 HE2 LYS 42 2HE LYS 42 -1.662 -4.335 -14.494 349 HE3 LYS 42 3HE LYS 42 -2.818 -5.272 -13.544 350 HZ1 LYS 42 3HZ LYS 42 -2.568 -2.319 -13.440 351 HZ2 LYS 42 1HZ LYS 42 -3.741 -3.263 -12.674 352 HZ3 LYS 42 2HZ LYS 42 -3.710 -3.155 -14.360 353 H LEU 43 H LEU 43 0.227 -4.883 -7.348 354 HA LEU 43 HA LEU 43 2.547 -6.443 -6.499 355 HB2 LEU 43 2HB LEU 43 0.747 -4.475 -5.029 356 HB3 LEU 43 3HB LEU 43 2.083 -5.311 -4.252 357 HG LEU 43 HG LEU 43 2.329 -3.326 -6.541 358 HD11 LEU 43 1HD1 LEU 43 3.056 -3.019 -3.613 359 HD12 LEU 43 2HD1 LEU 43 1.710 -2.233 -4.441 360 HD13 LEU 43 3HD1 LEU 43 3.368 -1.839 -4.890 361 HD21 LEU 43 3HD2 LEU 43 4.074 -5.021 -6.699 362 HD22 LEU 43 1HD2 LEU 43 4.493 -4.795 -4.995 363 HD23 LEU 43 2HD2 LEU 43 4.763 -3.494 -6.157 364 H THR 44 H THR 44 2.290 -7.474 -4.208 365 HA THR 44 HA THR 44 -0.192 -9.089 -4.035 366 HB THR 44 HB THR 44 1.025 -10.673 -2.642 367 HG1 THR 44 HG1 THR 44 3.487 -10.102 -2.576 368 HG21 THR 44 3HG2 THR 44 2.750 -11.497 -4.198 369 HG22 THR 44 1HG2 THR 44 2.729 -9.948 -5.048 370 HG23 THR 44 2HG2 THR 44 1.303 -10.988 -5.073 371 H GLU 45 H GLU 45 -1.168 -9.339 -1.913 372 HA GLU 45 HA GLU 45 -1.421 -7.042 -0.311 373 HB2 GLU 45 2HB GLU 45 -2.001 -9.955 0.353 374 HB3 GLU 45 3HB GLU 45 -2.444 -8.614 1.407 375 HG2 GLU 45 2HG GLU 45 -3.811 -7.671 -0.476 376 HG3 GLU 45 3HG GLU 45 -3.478 -9.143 -1.391 377 H THR 46 H THR 46 0.896 -9.688 -0.098 378 HA THR 46 HA THR 46 1.964 -9.163 2.472 379 HB THR 46 HB THR 46 3.382 -10.378 0.052 380 HG1 THR 46 HG1 THR 46 2.681 -12.380 1.077 381 HG21 THR 46 3HG2 THR 46 4.780 -11.548 1.727 382 HG22 THR 46 1HG2 THR 46 3.946 -10.702 3.027 383 HG23 THR 46 2HG2 THR 46 4.947 -9.798 1.889 384 H GLN 47 H GLN 47 3.093 -8.166 -0.803 385 HA GLN 47 HA GLN 47 5.280 -6.569 -0.076 386 HB2 GLN 47 2HB GLN 47 3.445 -6.353 -2.499 387 HB3 GLN 47 3HB GLN 47 4.949 -5.450 -2.334 388 HG2 GLN 47 2HG GLN 47 6.219 -7.556 -2.276 389 HG3 GLN 47 3HG GLN 47 4.720 -8.474 -2.426 390 HE21 GLN 47 1HE2 GLN 47 6.954 -6.359 -4.088 391 HE22 GLN 47 2HE2 GLN 47 6.382 -6.699 -5.679 392 H VAL 48 H VAL 48 1.912 -5.571 -0.737 393 HA VAL 48 HA VAL 48 2.165 -2.806 -0.345 394 HB VAL 48 HB VAL 48 -0.267 -4.608 0.080 395 HG11 VAL 48 1HG1 VAL 48 -0.209 -1.573 -0.178 396 HG12 VAL 48 2HG1 VAL 48 -0.650 -2.491 1.262 397 HG13 VAL 48 3HG1 VAL 48 -1.667 -2.569 -0.175 398 HG21 VAL 48 3HG2 VAL 48 -0.938 -3.875 -2.190 399 HG22 VAL 48 1HG2 VAL 48 0.631 -4.681 -2.217 400 HG23 VAL 48 2HG2 VAL 48 0.543 -2.923 -2.328 401 H LYS 49 H LYS 49 1.333 -5.381 2.007 402 HA LYS 49 HA LYS 49 0.864 -3.627 4.214 403 HB2 LYS 49 2HB LYS 49 -0.034 -5.990 3.945 404 HB3 LYS 49 3HB LYS 49 1.572 -6.588 4.349 405 HG2 LYS 49 2HG LYS 49 1.408 -5.501 6.568 406 HG3 LYS 49 3HG LYS 49 -0.187 -4.887 6.153 407 HD2 LYS 49 2HD LYS 49 -0.448 -6.820 7.584 408 HD3 LYS 49 3HD LYS 49 -1.014 -7.237 5.971 409 HE2 LYS 49 2HE LYS 49 1.755 -7.953 6.979 410 HE3 LYS 49 3HE LYS 49 0.368 -9.014 7.170 411 HZ1 LYS 49 3HZ LYS 49 1.728 -8.205 4.690 412 HZ2 LYS 49 1HZ LYS 49 0.146 -8.792 4.664 413 HZ3 LYS 49 2HZ LYS 49 1.389 -9.751 5.260 414 H ILE 50 H ILE 50 3.761 -5.404 3.101 415 HA ILE 50 HA ILE 50 5.512 -4.792 5.244 416 HB ILE 50 HB ILE 50 6.114 -5.343 2.296 417 HG12 ILE 50 2HG1 ILE 50 6.526 -7.101 4.767 418 HG13 ILE 50 3HG1 ILE 50 5.158 -7.223 3.671 419 HG21 ILE 50 1HG2 ILE 50 8.141 -5.093 4.562 420 HG22 ILE 50 2HG2 ILE 50 7.971 -3.992 3.196 421 HG23 ILE 50 3HG2 ILE 50 8.505 -5.650 2.926 422 HD11 ILE 50 3HD1 ILE 50 6.748 -8.952 3.221 423 HD12 ILE 50 1HD1 ILE 50 8.038 -7.771 2.985 424 HD13 ILE 50 2HD1 ILE 50 6.682 -7.841 1.853 425 H TRP 51 H TRP 51 4.841 -3.064 2.181 426 HA TRP 51 HA TRP 51 6.587 -0.902 2.489 427 HB2 TRP 51 2HB TRP 51 5.406 -1.416 0.366 428 HB3 TRP 51 3HB TRP 51 3.877 -0.944 1.089 429 HD1 TRP 51 HD1 TRP 51 7.059 0.592 -0.427 430 HE1 TRP 51 HE1 TRP 51 6.684 3.084 -0.822 431 HE3 TRP 51 HE3 TRP 51 2.627 1.129 2.001 432 HZ2 TRP 51 HZ2 TRP 51 4.793 5.040 -0.163 433 HZ3 TRP 51 HZ3 TRP 51 1.602 3.352 2.102 434 HH2 TRP 51 HH2 TRP 51 2.667 5.274 1.040 435 H PHE 52 H PHE 52 3.063 -0.973 3.294 436 HA PHE 52 HA PHE 52 2.818 1.463 4.602 437 HB2 PHE 52 2HB PHE 52 1.299 -1.142 4.818 438 HB3 PHE 52 3HB PHE 52 0.940 0.120 5.988 439 HD1 PHE 52 HD1 PHE 52 1.041 -0.538 2.284 440 HD2 PHE 52 HD2 PHE 52 -0.530 1.903 5.414 441 HE1 PHE 52 HE1 PHE 52 -0.444 0.569 0.676 442 HE2 PHE 52 HE2 PHE 52 -2.011 3.009 3.803 443 HZ PHE 52 HZ PHE 52 -1.974 2.350 1.427 444 H GLN 53 H GLN 53 3.893 -1.633 5.972 445 HA GLN 53 HA GLN 53 4.165 -0.896 8.679 446 HB2 GLN 53 2HB GLN 53 4.210 -3.223 7.954 447 HB3 GLN 53 3HB GLN 53 5.667 -2.950 7.014 448 HG2 GLN 53 2HG GLN 53 6.909 -2.505 9.144 449 HG3 GLN 53 3HG GLN 53 5.442 -2.910 10.042 450 HE21 GLN 53 1HE2 GLN 53 6.527 -4.585 7.120 451 HE22 GLN 53 2HE2 GLN 53 6.881 -6.077 7.904 452 H ASN 54 H ASN 54 6.650 -0.895 6.077 453 HA ASN 54 HA ASN 54 8.852 0.034 7.558 454 HB2 ASN 54 2HB ASN 54 8.309 0.570 4.607 455 HB3 ASN 54 3HB ASN 54 9.881 0.627 5.398 456 HD21 ASN 54 1HD2 ASN 54 9.017 -0.942 3.116 457 HD22 ASN 54 2HD2 ASN 54 9.257 -2.597 3.540 458 H ARG 55 H ARG 55 6.538 1.777 5.547 459 HA ARG 55 HA ARG 55 7.503 4.389 5.839 460 HB2 ARG 55 2HB ARG 55 4.679 3.418 5.264 461 HB3 ARG 55 3HB ARG 55 5.241 5.069 5.007 462 HG2 ARG 55 2HG ARG 55 6.667 2.776 3.667 463 HG3 ARG 55 3HG ARG 55 5.142 3.355 3.008 464 HD2 ARG 55 2HD ARG 55 7.278 4.286 1.982 465 HD3 ARG 55 3HD ARG 55 6.038 5.456 2.454 466 HE ARG 55 HE ARG 55 7.457 5.776 4.545 467 HH11 ARG 55 1HH1 ARG 55 8.899 4.962 1.498 468 HH12 ARG 55 2HH1 ARG 55 10.372 5.774 1.877 469 HH21 ARG 55 1HH2 ARG 55 9.320 6.797 4.980 470 HH22 ARG 55 2HH2 ARG 55 10.611 6.804 3.829 471 H ARG 56 H ARG 56 5.294 2.515 7.886 472 HA ARG 56 HA ARG 56 4.404 4.616 9.581 473 HB2 ARG 56 2HB ARG 56 4.517 1.609 9.761 474 HB3 ARG 56 3HB ARG 56 4.152 2.516 11.222 475 HG2 ARG 56 2HG ARG 56 2.575 2.695 8.637 476 HG3 ARG 56 3HG ARG 56 2.137 1.710 10.039 477 HD2 ARG 56 2HD ARG 56 2.319 4.734 9.906 478 HD3 ARG 56 3HD ARG 56 0.876 3.750 10.140 479 HE ARG 56 HE ARG 56 3.060 3.823 12.126 480 HH11 ARG 56 1HH1 ARG 56 -0.346 4.043 11.471 481 HH12 ARG 56 2HH1 ARG 56 -0.735 4.212 13.143 482 HH21 ARG 56 1HH2 ARG 56 2.508 4.028 14.216 483 HH22 ARG 56 2HH2 ARG 56 0.847 4.184 14.670 484 H TYR 57 H TYR 57 7.056 2.256 9.892 485 HA TYR 57 HA TYR 57 8.147 3.288 12.302 486 HB2 TYR 57 2HB TYR 57 8.577 0.995 11.407 487 HB3 TYR 57 3HB TYR 57 9.526 1.696 10.102 488 HD1 TYR 57 HD1 TYR 57 9.379 1.699 13.868 489 HD2 TYR 57 HD2 TYR 57 11.874 1.800 10.401 490 HE1 TYR 57 HE1 TYR 57 11.368 1.566 15.293 491 HE2 TYR 57 HE2 TYR 57 13.859 1.666 11.827 492 HH TYR 57 HH TYR 57 13.776 0.735 15.015 493 H LYS 58 H LYS 58 8.409 4.283 8.986 494 HA LYS 58 HA LYS 58 10.776 5.974 9.408 495 HB2 LYS 58 2HB LYS 58 9.173 5.220 6.952 496 HB3 LYS 58 3HB LYS 58 10.426 6.457 6.905 497 HG2 LYS 58 2HG LYS 58 12.139 4.888 7.454 498 HG3 LYS 58 3HG LYS 58 10.964 3.644 7.886 499 HD2 LYS 58 2HD LYS 58 10.312 3.367 5.563 500 HD3 LYS 58 3HD LYS 58 11.307 4.743 5.069 501 HE2 LYS 58 2HE LYS 58 12.334 2.483 4.595 502 HE3 LYS 58 3HE LYS 58 13.342 3.554 5.570 503 HZ1 LYS 58 3HZ LYS 58 13.332 1.301 6.431 504 HZ2 LYS 58 1HZ LYS 58 11.654 1.345 6.632 505 HZ3 LYS 58 2HZ LYS 58 12.643 2.362 7.553 506 H THR 59 H THR 59 7.342 6.358 9.642 507 HA THR 59 HA THR 59 7.016 9.069 8.905 508 HB THR 59 HB THR 59 5.098 9.217 10.486 509 HG1 THR 59 HG1 THR 59 6.334 7.008 11.626 510 HG21 THR 59 3HG2 THR 59 5.064 6.541 9.075 511 HG22 THR 59 1HG2 THR 59 4.687 8.092 8.318 512 HG23 THR 59 2HG2 THR 59 3.662 7.463 9.609 513 H LYS 60 H LYS 60 6.485 10.837 10.556 514 HA LYS 60 HA LYS 60 8.756 11.424 12.215 515 HB2 LYS 60 2HB LYS 60 7.379 13.059 10.831 516 HB3 LYS 60 3HB LYS 60 6.121 12.930 12.048 517 HG2 LYS 60 2HG LYS 60 7.579 13.935 13.730 518 HG3 LYS 60 3HG LYS 60 8.943 13.910 12.609 519 HD2 LYS 60 2HD LYS 60 8.040 16.167 12.728 520 HD3 LYS 60 3HD LYS 60 7.737 15.500 11.123 521 HE2 LYS 60 2HE LYS 60 5.754 16.688 11.872 522 HE3 LYS 60 3HE LYS 60 5.394 14.960 11.847 523 HZ1 LYS 60 3HZ LYS 60 4.551 15.976 13.850 524 HZ2 LYS 60 1HZ LYS 60 6.083 16.568 14.248 525 HZ3 LYS 60 2HZ LYS 60 5.795 14.905 14.247 526 H ARG 61 H ARG 61 6.168 9.419 12.828 527 HA ARG 61 HA ARG 61 6.306 9.820 15.768 528 HB2 ARG 61 2HB ARG 61 4.043 10.274 14.793 529 HB3 ARG 61 3HB ARG 61 4.005 8.632 14.158 530 HG2 ARG 61 2HG ARG 61 4.078 7.745 16.483 531 HG3 ARG 61 3HG ARG 61 4.101 9.398 17.098 532 HD2 ARG 61 2HD ARG 61 1.861 8.127 15.495 533 HD3 ARG 61 3HD ARG 61 1.844 8.427 17.236 534 HE ARG 61 HE ARG 61 2.314 10.850 15.861 535 HH11 ARG 61 1HH1 ARG 61 -0.299 8.635 16.451 536 HH12 ARG 61 2HH1 ARG 61 -1.500 9.861 16.239 537 HH21 ARG 61 1HH2 ARG 61 0.749 12.365 15.601 538 HH22 ARG 61 2HH2 ARG 61 -0.916 11.933 15.769 539 H LYS 62 H LYS 62 7.172 8.157 16.900 540 HA LYS 62 HA LYS 62 7.909 5.644 15.563 541 HB2 LYS 62 2HB LYS 62 9.577 6.964 16.914 542 HB3 LYS 62 3HB LYS 62 8.625 6.637 18.356 543 HG2 LYS 62 2HG LYS 62 9.052 4.208 18.089 544 HG3 LYS 62 3HG LYS 62 10.003 4.536 16.640 545 HD2 LYS 62 2HD LYS 62 10.660 5.483 19.452 546 HD3 LYS 62 3HD LYS 62 11.434 4.142 18.611 547 HE2 LYS 62 2HE LYS 62 11.544 7.066 17.780 548 HE3 LYS 62 3HE LYS 62 12.842 6.154 18.546 549 HZ1 LYS 62 3HZ LYS 62 13.097 6.388 16.128 550 HZ2 LYS 62 1HZ LYS 62 11.678 5.506 15.898 551 HZ3 LYS 62 2HZ LYS 62 13.019 4.773 16.609 552 H GLN 63 H GLN 63 7.511 3.545 16.595 553 HA GLN 63 HA GLN 63 5.150 3.372 18.393 554 HB2 GLN 63 2HB GLN 63 4.335 1.441 17.046 555 HB3 GLN 63 3HB GLN 63 4.374 2.940 16.123 556 HG2 GLN 63 2HG GLN 63 6.463 2.229 15.018 557 HG3 GLN 63 3HG GLN 63 6.456 0.734 15.953 558 HE21 GLN 63 1HE2 GLN 63 4.916 2.471 13.347 559 HE22 GLN 63 2HE2 GLN 63 4.057 1.122 12.698 560 H LEU 64 H LEU 64 4.905 1.017 19.226 561 HA LEU 64 HA LEU 64 7.084 0.317 20.843 562 HB2 LEU 64 2HB LEU 64 4.795 -0.231 21.459 563 HB3 LEU 64 3HB LEU 64 4.616 -1.269 20.056 564 HG LEU 64 HG LEU 64 6.245 -2.887 21.043 565 HD11 LEU 64 1HD1 LEU 64 7.599 -1.352 22.379 566 HD12 LEU 64 2HD1 LEU 64 7.005 -2.690 23.359 567 HD13 LEU 64 3HD1 LEU 64 6.252 -1.096 23.487 568 HD21 LEU 64 3HD2 LEU 64 4.797 -3.787 22.793 569 HD22 LEU 64 1HD2 LEU 64 3.839 -3.195 21.435 570 HD23 LEU 64 2HD2 LEU 64 3.947 -2.244 22.917 571 H SER 65 H SER 65 5.998 -1.163 17.767 572 HA SER 65 HA SER 65 8.073 -3.165 17.722 573 HB2 SER 65 2HB SER 65 5.965 -3.561 16.530 574 HB3 SER 65 3HB SER 65 6.262 -2.172 15.488 575 HG SER 65 HG SER 65 7.011 -3.812 14.309 576 H SER 66 H SER 66 10.045 -3.111 16.702 577 HA SER 66 HA SER 66 10.898 -0.596 15.369 578 HB2 SER 66 2HB SER 66 12.062 -0.845 17.502 579 HB3 SER 66 3HB SER 66 12.549 -2.489 17.089 580 HG SER 66 HG SER 66 14.274 -1.237 16.594 581 H GLU 67 H GLU 67 10.548 -1.186 13.247 582 HA GLU 67 HA GLU 67 11.602 -3.694 12.182 583 HB2 GLU 67 2HB GLU 67 9.397 -2.448 11.466 584 HB3 GLU 67 3HB GLU 67 10.457 -1.448 10.489 585 HG2 GLU 67 2HG GLU 67 10.210 -4.469 10.253 586 HG3 GLU 67 3HG GLU 67 9.361 -3.308 9.237 587 H LEU 68 H LEU 68 13.776 -3.119 12.957 588 HA LEU 68 HA LEU 68 15.566 -2.399 10.879 589 HB2 LEU 68 2HB LEU 68 14.791 -0.093 11.551 590 HB3 LEU 68 3HB LEU 68 15.407 -0.383 13.165 591 HG LEU 68 HG LEU 68 17.732 -0.459 12.279 592 HD11 LEU 68 1HD1 LEU 68 18.245 0.146 9.965 593 HD12 LEU 68 2HD1 LEU 68 16.526 0.160 9.564 594 HD13 LEU 68 3HD1 LEU 68 17.312 -1.345 10.044 595 HD21 LEU 68 3HD2 LEU 68 16.250 2.042 11.394 596 HD22 LEU 68 1HD2 LEU 68 17.978 1.914 11.741 597 HD23 LEU 68 2HD2 LEU 68 16.801 1.694 13.034 598 H GLY 69 H GLY 69 17.833 -2.755 11.564 599 HA2 GLY 69 2HA GLY 69 18.033 -4.666 13.792 600 HA3 GLY 69 3HA GLY 69 19.208 -4.424 12.508 Start of MODEL 13 1 H1 MET 1 1H MET 1 30.971 -17.790 7.867 2 H2 MET 1 2H MET 1 31.230 -17.768 9.538 3 H3 MET 1 3H MET 1 31.554 -16.388 8.616 4 HA MET 1 HA MET 1 28.878 -17.604 8.966 5 HB2 MET 1 2HB MET 1 28.377 -15.713 10.474 6 HB3 MET 1 3HB MET 1 29.723 -16.656 11.095 7 HG2 MET 1 2HG MET 1 31.299 -14.960 10.531 8 HG3 MET 1 3HG MET 1 30.145 -14.121 9.496 9 HE1 MET 1 3HE MET 1 31.756 -12.356 11.385 10 HE2 MET 1 1HE MET 1 30.513 -11.408 12.197 11 HE3 MET 1 2HE MET 1 30.371 -11.746 10.473 12 H GLY 2 H GLY 2 30.310 -16.660 6.461 13 HA2 GLY 2 2HA GLY 2 29.491 -13.994 5.810 14 HA3 GLY 2 3HA GLY 2 30.165 -15.180 4.712 15 H HIS 3 H HIS 3 27.127 -14.290 6.348 16 HA HIS 3 HA HIS 3 25.402 -15.666 4.499 17 HB2 HIS 3 2HB HIS 3 24.772 -13.546 6.593 18 HB3 HIS 3 3HB HIS 3 23.565 -14.471 5.705 19 HD1 HIS 3 HD1 HIS 3 25.920 -14.683 8.590 20 HD2 HIS 3 HD2 HIS 3 23.316 -17.199 6.544 21 HE1 HIS 3 HE1 HIS 3 25.605 -16.681 10.066 22 HE2 HIS 3 HE2 HIS 3 23.868 -18.076 8.908 23 H HIS 4 H HIS 4 25.066 -14.944 2.472 24 HA HIS 4 HA HIS 4 25.685 -12.319 1.523 25 HB2 HIS 4 2HB HIS 4 24.033 -14.495 0.172 26 HB3 HIS 4 3HB HIS 4 24.779 -13.113 -0.627 27 HD1 HIS 4 HD1 HIS 4 25.513 -16.522 0.671 28 HD2 HIS 4 HD2 HIS 4 27.631 -13.299 -0.885 29 HE1 HIS 4 HE1 HIS 4 27.811 -17.396 0.193 30 HE2 HIS 4 HE2 HIS 4 29.110 -15.397 -0.603 31 H HIS 5 H HIS 5 24.460 -10.522 1.754 32 HA HIS 5 HA HIS 5 21.912 -10.488 2.958 33 HB2 HIS 5 2HB HIS 5 21.869 -8.040 2.422 34 HB3 HIS 5 3HB HIS 5 23.349 -8.559 3.206 35 HD1 HIS 5 HD1 HIS 5 25.547 -8.375 1.857 36 HD2 HIS 5 HD2 HIS 5 22.200 -7.062 -0.217 37 HE1 HIS 5 HE1 HIS 5 26.427 -7.049 -0.076 38 HE2 HIS 5 HE2 HIS 5 24.385 -6.097 -1.181 39 H HIS 6 H HIS 6 19.983 -11.009 2.118 40 HA HIS 6 HA HIS 6 19.485 -11.389 -0.668 41 HB2 HIS 6 2HB HIS 6 18.314 -12.643 1.200 42 HB3 HIS 6 3HB HIS 6 17.427 -11.173 1.589 43 HD1 HIS 6 HD1 HIS 6 17.484 -14.048 -0.731 44 HD2 HIS 6 HD2 HIS 6 15.461 -10.434 -0.411 45 HE1 HIS 6 HE1 HIS 6 15.563 -14.208 -2.323 46 HE2 HIS 6 HE2 HIS 6 14.490 -11.939 -2.268 47 H HIS 7 H HIS 7 19.414 -9.646 -2.035 48 HA HIS 7 HA HIS 7 18.657 -7.012 -1.247 49 HB2 HIS 7 2HB HIS 7 18.724 -6.460 -3.709 50 HB3 HIS 7 3HB HIS 7 20.198 -7.152 -3.071 51 HD1 HIS 7 HD1 HIS 7 20.858 -9.546 -3.919 52 HD2 HIS 7 HD2 HIS 7 17.509 -7.926 -5.762 53 HE1 HIS 7 HE1 HIS 7 20.512 -10.900 -5.993 54 HE2 HIS 7 HE2 HIS 7 18.366 -10.027 -6.979 55 H HIS 8 H HIS 8 16.684 -6.961 -0.348 56 HA HIS 8 HA HIS 8 14.332 -8.238 -1.337 57 HB2 HIS 8 2HB HIS 8 14.796 -7.634 1.078 58 HB3 HIS 8 3HB HIS 8 14.533 -5.946 0.663 59 HD1 HIS 8 HD1 HIS 8 12.005 -5.421 -0.276 60 HD2 HIS 8 HD2 HIS 8 12.524 -8.985 1.795 61 HE1 HIS 8 HE1 HIS 8 9.712 -6.139 0.409 62 HE2 HIS 8 HE2 HIS 8 10.084 -8.157 1.853 63 H SER 9 H SER 9 12.752 -7.458 -2.663 64 HA SER 9 HA SER 9 13.365 -5.332 -4.438 65 HB2 SER 9 2HB SER 9 11.230 -5.858 -5.542 66 HB3 SER 9 3HB SER 9 12.108 -7.338 -5.159 67 HG SER 9 HG SER 9 9.736 -7.164 -4.648 68 H HIS 10 H HIS 10 12.800 -3.235 -4.456 69 HA HIS 10 HA HIS 10 10.725 -2.198 -2.627 70 HB2 HIS 10 2HB HIS 10 12.861 -0.822 -4.307 71 HB3 HIS 10 3HB HIS 10 11.581 0.070 -3.496 72 HD1 HIS 10 HD1 HIS 10 11.545 -0.225 -0.793 73 HD2 HIS 10 HD2 HIS 10 15.077 -1.265 -2.708 74 HE1 HIS 10 HE1 HIS 10 13.307 -0.183 0.984 75 HE2 HIS 10 HE2 HIS 10 15.396 -0.974 -0.165 76 H MET 11 H MET 11 8.967 -1.017 -3.399 77 HA MET 11 HA MET 11 7.787 -1.710 -5.857 78 HB2 MET 11 2HB MET 11 7.094 0.503 -3.888 79 HB3 MET 11 3HB MET 11 6.064 0.025 -5.237 80 HG2 MET 11 2HG MET 11 5.272 -1.016 -3.191 81 HG3 MET 11 3HG MET 11 5.891 -2.249 -4.294 82 HE1 MET 11 3HE MET 11 5.417 -3.167 -1.418 83 HE2 MET 11 1HE MET 11 6.950 -3.916 -0.979 84 HE3 MET 11 2HE MET 11 6.280 -4.162 -2.592 85 H SER 12 H SER 12 7.005 -0.186 -7.554 86 HA SER 12 HA SER 12 9.254 1.185 -8.780 87 HB2 SER 12 2HB SER 12 6.368 0.921 -9.728 88 HB3 SER 12 3HB SER 12 7.720 1.481 -10.713 89 HG SER 12 HG SER 12 7.039 -0.821 -10.863 90 H HIS 13 H HIS 13 9.114 3.454 -9.630 91 HA HIS 13 HA HIS 13 8.768 5.230 -7.501 92 HB2 HIS 13 2HB HIS 13 10.357 5.586 -9.394 93 HB3 HIS 13 3HB HIS 13 8.997 5.979 -10.439 94 HD1 HIS 13 HD1 HIS 13 11.008 7.347 -7.566 95 HD2 HIS 13 HD2 HIS 13 7.986 8.590 -10.137 96 HE1 HIS 13 HE1 HIS 13 10.805 9.821 -7.229 97 HE2 HIS 13 HE2 HIS 13 8.808 10.487 -8.601 98 H THR 14 H THR 14 6.804 5.231 -10.544 99 HA THR 14 HA THR 14 4.851 7.086 -9.690 100 HB THR 14 HB THR 14 4.489 4.881 -11.779 101 HG1 THR 14 HG1 THR 14 5.123 6.702 -13.206 102 HG21 THR 14 3HG2 THR 14 3.109 7.586 -11.524 103 HG22 THR 14 1HG2 THR 14 2.358 6.017 -11.205 104 HG23 THR 14 2HG2 THR 14 2.881 6.430 -12.837 105 H GLN 15 H GLN 15 5.144 3.652 -9.143 106 HA GLN 15 HA GLN 15 2.475 3.115 -8.250 107 HB2 GLN 15 2HB GLN 15 3.957 1.371 -9.158 108 HB3 GLN 15 3HB GLN 15 5.078 1.607 -7.820 109 HG2 GLN 15 2HG GLN 15 3.325 0.809 -6.249 110 HG3 GLN 15 3HG GLN 15 2.250 0.532 -7.620 111 HE21 GLN 15 1HE2 GLN 15 2.764 -1.150 -9.097 112 HE22 GLN 15 2HE2 GLN 15 3.819 -2.437 -8.647 113 H VAL 16 H VAL 16 5.522 3.940 -6.575 114 HA VAL 16 HA VAL 16 4.574 3.744 -3.909 115 HB VAL 16 HB VAL 16 6.910 5.346 -5.058 116 HG11 VAL 16 1HG1 VAL 16 6.257 6.396 -2.935 117 HG12 VAL 16 2HG1 VAL 16 7.794 5.553 -2.752 118 HG13 VAL 16 3HG1 VAL 16 6.310 4.833 -2.117 119 HG21 VAL 16 3HG2 VAL 16 7.124 2.894 -5.275 120 HG22 VAL 16 1HG2 VAL 16 6.887 2.709 -3.536 121 HG23 VAL 16 2HG2 VAL 16 8.321 3.538 -4.154 122 H ILE 17 H ILE 17 4.544 6.390 -6.285 123 HA ILE 17 HA ILE 17 3.413 8.453 -4.772 124 HB ILE 17 HB ILE 17 2.852 7.731 -7.687 125 HG12 ILE 17 2HG1 ILE 17 4.813 9.759 -6.511 126 HG13 ILE 17 3HG1 ILE 17 5.250 8.197 -7.192 127 HG21 ILE 17 1HG2 ILE 17 1.067 9.195 -6.848 128 HG22 ILE 17 2HG2 ILE 17 2.084 10.065 -7.994 129 HG23 ILE 17 3HG2 ILE 17 2.264 10.351 -6.261 130 HD11 ILE 17 3HD1 ILE 17 5.730 9.970 -8.744 131 HD12 ILE 17 1HD1 ILE 17 4.055 10.524 -8.696 132 HD13 ILE 17 2HD1 ILE 17 4.448 8.947 -9.389 133 H GLU 18 H GLU 18 1.737 5.848 -6.582 134 HA GLU 18 HA GLU 18 -0.925 6.489 -5.890 135 HB2 GLU 18 2HB GLU 18 0.268 3.785 -6.612 136 HB3 GLU 18 3HB GLU 18 -1.451 4.171 -6.631 137 HG2 GLU 18 2HG GLU 18 0.645 5.500 -8.374 138 HG3 GLU 18 3HG GLU 18 -0.372 4.156 -8.886 139 H LEU 19 H LEU 19 1.371 4.252 -4.394 140 HA LEU 19 HA LEU 19 -0.187 3.203 -2.308 141 HB2 LEU 19 2HB LEU 19 2.793 3.638 -2.656 142 HB3 LEU 19 3HB LEU 19 2.151 2.876 -1.215 143 HG LEU 19 HG LEU 19 1.574 1.725 -3.963 144 HD11 LEU 19 1HD1 LEU 19 3.488 0.206 -3.699 145 HD12 LEU 19 2HD1 LEU 19 3.990 1.077 -2.247 146 HD13 LEU 19 3HD1 LEU 19 4.008 1.887 -3.814 147 HD21 LEU 19 3HD2 LEU 19 0.206 0.901 -2.086 148 HD22 LEU 19 1HD2 LEU 19 1.671 0.439 -1.213 149 HD23 LEU 19 2HD2 LEU 19 1.248 -0.363 -2.730 150 H GLU 20 H GLU 20 1.722 6.219 -2.509 151 HA GLU 20 HA GLU 20 1.332 6.957 0.258 152 HB2 GLU 20 2HB GLU 20 2.507 8.453 -2.096 153 HB3 GLU 20 3HB GLU 20 2.299 9.211 -0.518 154 HG2 GLU 20 2HG GLU 20 3.712 7.406 0.477 155 HG3 GLU 20 3HG GLU 20 4.003 6.789 -1.152 156 H ARG 21 H ARG 21 -0.326 7.747 -2.774 157 HA ARG 21 HA ARG 21 -2.049 9.767 -1.841 158 HB2 ARG 21 2HB ARG 21 -2.572 7.600 -3.922 159 HB3 ARG 21 3HB ARG 21 -3.609 9.006 -3.675 160 HG2 ARG 21 2HG ARG 21 -1.793 10.504 -4.345 161 HG3 ARG 21 3HG ARG 21 -0.687 9.140 -4.492 162 HD2 ARG 21 2HD ARG 21 -1.419 9.773 -6.703 163 HD3 ARG 21 3HD ARG 21 -2.139 8.210 -6.304 164 HE ARG 21 HE ARG 21 -3.888 10.364 -5.651 165 HH11 ARG 21 1HH1 ARG 21 -2.792 8.480 -8.381 166 HH12 ARG 21 2HH1 ARG 21 -4.201 8.851 -9.315 167 HH21 ARG 21 1HH2 ARG 21 -5.660 10.802 -6.886 168 HH22 ARG 21 2HH2 ARG 21 -5.799 10.148 -8.478 169 H LYS 22 H LYS 22 -2.150 6.275 -1.500 170 HA LYS 22 HA LYS 22 -4.655 6.155 -0.067 171 HB2 LYS 22 2HB LYS 22 -3.784 4.285 -1.482 172 HB3 LYS 22 3HB LYS 22 -2.428 4.091 -0.382 173 HG2 LYS 22 2HG LYS 22 -4.126 2.371 -0.001 174 HG3 LYS 22 3HG LYS 22 -3.944 3.404 1.417 175 HD2 LYS 22 2HD LYS 22 -6.312 2.896 0.976 176 HD3 LYS 22 3HD LYS 22 -6.000 4.626 0.827 177 HE2 LYS 22 2HE LYS 22 -5.990 4.429 -1.622 178 HE3 LYS 22 3HE LYS 22 -6.208 2.680 -1.500 179 HZ1 LYS 22 3HZ LYS 22 -8.145 4.720 -0.533 180 HZ2 LYS 22 1HZ LYS 22 -8.355 3.047 -0.460 181 HZ3 LYS 22 2HZ LYS 22 -8.300 3.825 -1.958 182 H PHE 23 H PHE 23 -1.208 6.070 0.793 183 HA PHE 23 HA PHE 23 -1.483 5.403 3.535 184 HB2 PHE 23 2HB PHE 23 0.571 5.084 2.067 185 HB3 PHE 23 3HB PHE 23 0.884 6.804 2.244 186 HD1 PHE 23 HD2 PHE 23 -0.050 4.036 4.614 187 HD2 PHE 23 HD1 PHE 23 2.687 7.187 3.716 188 HE1 PHE 23 HE2 PHE 23 1.210 3.510 6.650 189 HE2 PHE 23 HE1 PHE 23 3.943 6.655 5.764 190 HZ PHE 23 HZ PHE 23 3.213 4.818 7.228 191 H SER 24 H SER 24 -1.356 8.532 1.893 192 HA SER 24 HA SER 24 -1.055 10.182 4.180 193 HB2 SER 24 2HB SER 24 -2.232 10.836 1.451 194 HB3 SER 24 3HB SER 24 -1.797 12.033 2.677 195 HG SER 24 HG SER 24 -0.208 10.728 0.899 196 H HIS 25 H HIS 25 -3.881 8.760 2.609 197 HA HIS 25 HA HIS 25 -5.825 10.269 4.146 198 HB2 HIS 25 2HB HIS 25 -6.042 7.972 2.168 199 HB3 HIS 25 3HB HIS 25 -7.440 8.512 3.090 200 HD1 HIS 25 HD1 HIS 25 -8.858 10.021 1.757 201 HD2 HIS 25 HD2 HIS 25 -4.840 10.504 0.815 202 HE1 HIS 25 HE1 HIS 25 -8.788 11.798 -0.003 203 HE2 HIS 25 HE2 HIS 25 -6.378 11.924 -0.692 204 H GLN 26 H GLN 26 -4.346 7.047 4.279 205 HA GLN 26 HA GLN 26 -5.120 6.721 7.055 206 HB2 GLN 26 2HB GLN 26 -6.287 4.577 6.746 207 HB3 GLN 26 3HB GLN 26 -7.121 5.883 5.912 208 HG2 GLN 26 2HG GLN 26 -6.111 5.117 3.767 209 HG3 GLN 26 3HG GLN 26 -5.359 3.772 4.633 210 HE21 GLN 26 1HE2 GLN 26 -6.733 2.144 5.507 211 HE22 GLN 26 2HE2 GLN 26 -8.316 1.890 4.883 212 H LYS 27 H LYS 27 -3.830 5.343 8.182 213 HA LYS 27 HA LYS 27 -1.350 4.458 6.887 214 HB2 LYS 27 2HB LYS 27 -2.091 4.572 9.843 215 HB3 LYS 27 3HB LYS 27 -0.481 4.244 9.195 216 HG2 LYS 27 2HG LYS 27 -2.029 6.858 9.006 217 HG3 LYS 27 3HG LYS 27 -0.581 6.543 9.971 218 HD2 LYS 27 2HD LYS 27 0.700 6.167 7.856 219 HD3 LYS 27 3HD LYS 27 -0.749 6.549 6.932 220 HE2 LYS 27 2HE LYS 27 -0.735 8.828 7.924 221 HE3 LYS 27 3HE LYS 27 0.779 8.437 8.746 222 HZ1 LYS 27 3HZ LYS 27 0.361 8.443 5.797 223 HZ2 LYS 27 1HZ LYS 27 1.814 8.087 6.586 224 HZ3 LYS 27 2HZ LYS 27 1.167 9.644 6.676 225 H TYR 28 H TYR 28 -4.264 3.077 8.119 226 HA TYR 28 HA TYR 28 -3.107 0.330 8.123 227 HB2 TYR 28 2HB TYR 28 -5.516 1.071 9.819 228 HB3 TYR 28 3HB TYR 28 -4.408 -0.282 10.003 229 HD1 TYR 28 HD1 TYR 28 -1.883 0.405 10.637 230 HD2 TYR 28 HD2 TYR 28 -5.300 2.893 11.280 231 HE1 TYR 28 HE1 TYR 28 -0.658 1.669 12.353 232 HE2 TYR 28 HE2 TYR 28 -4.070 4.155 12.984 233 HH TYR 28 HH TYR 28 -2.179 3.869 14.478 234 H LEU 29 H LEU 29 -3.861 -0.734 6.374 235 HA LEU 29 HA LEU 29 -6.525 -0.229 5.233 236 HB2 LEU 29 2HB LEU 29 -4.215 -1.991 4.312 237 HB3 LEU 29 3HB LEU 29 -5.756 -1.897 3.470 238 HG LEU 29 HG LEU 29 -3.821 0.427 3.841 239 HD11 LEU 29 1HD1 LEU 29 -4.422 -1.190 1.345 240 HD12 LEU 29 2HD1 LEU 29 -2.938 -1.270 2.299 241 HD13 LEU 29 3HD1 LEU 29 -3.359 0.217 1.454 242 HD21 LEU 29 3HD2 LEU 29 -6.397 0.278 2.236 243 HD22 LEU 29 1HD2 LEU 29 -5.267 1.632 2.270 244 HD23 LEU 29 2HD2 LEU 29 -6.147 1.193 3.727 245 H SER 30 H SER 30 -8.196 -1.750 5.176 246 HA SER 30 HA SER 30 -8.197 -4.031 6.952 247 HB2 SER 30 2HB SER 30 -10.206 -3.304 4.774 248 HB3 SER 30 3HB SER 30 -10.487 -4.407 6.126 249 HG SER 30 HG SER 30 -10.859 -1.782 6.015 250 H ALA 31 H ALA 31 -8.964 -6.247 5.996 251 HA ALA 31 HA ALA 31 -7.110 -7.300 4.201 252 HB1 ALA 31 3HB ALA 31 -9.840 -8.461 4.829 253 HB2 ALA 31 1HB ALA 31 -8.372 -8.694 5.782 254 HB3 ALA 31 2HB ALA 31 -8.465 -9.326 4.138 255 HA PRO 32 HA PRO 32 -10.415 -6.846 0.543 256 HB2 PRO 32 2HB PRO 32 -12.102 -4.627 0.871 257 HB3 PRO 32 3HB PRO 32 -12.578 -6.316 1.140 258 HG2 PRO 32 2HG PRO 32 -11.684 -4.263 3.142 259 HG3 PRO 32 3HG PRO 32 -13.018 -5.437 3.253 260 HD2 PRO 32 2HD PRO 32 -10.709 -5.898 4.511 261 HD3 PRO 32 3HD PRO 32 -11.570 -7.231 3.713 262 H GLU 33 H GLU 33 -9.634 -3.737 2.274 263 HA GLU 33 HA GLU 33 -9.123 -2.250 -0.078 264 HB2 GLU 33 2HB GLU 33 -8.524 -1.779 2.855 265 HB3 GLU 33 3HB GLU 33 -7.930 -0.655 1.645 266 HG2 GLU 33 2HG GLU 33 -9.993 0.163 2.626 267 HG3 GLU 33 3HG GLU 33 -10.199 -0.162 0.908 268 H ARG 34 H ARG 34 -6.859 -3.965 2.088 269 HA ARG 34 HA ARG 34 -4.446 -3.169 0.829 270 HB2 ARG 34 2HB ARG 34 -4.310 -4.097 3.017 271 HB3 ARG 34 3HB ARG 34 -5.211 -5.535 2.562 272 HG2 ARG 34 2HG ARG 34 -3.316 -6.385 1.303 273 HG3 ARG 34 3HG ARG 34 -2.416 -4.891 1.579 274 HD2 ARG 34 2HD ARG 34 -1.814 -6.901 3.061 275 HD3 ARG 34 3HD ARG 34 -2.092 -5.364 3.872 276 HE ARG 34 HE ARG 34 -3.738 -6.385 5.056 277 HH11 ARG 34 1HH1 ARG 34 -3.539 -8.180 2.092 278 HH12 ARG 34 2HH1 ARG 34 -4.638 -9.390 2.643 279 HH21 ARG 34 1HH2 ARG 34 -5.118 -7.969 5.715 280 HH22 ARG 34 2HH2 ARG 34 -5.507 -9.275 4.651 281 H ALA 35 H ALA 35 -6.637 -5.924 0.240 282 HA ALA 35 HA ALA 35 -5.191 -7.079 -1.932 283 HB1 ALA 35 3HB ALA 35 -7.258 -8.365 -2.333 284 HB2 ALA 35 1HB ALA 35 -8.129 -7.314 -1.209 285 HB3 ALA 35 2HB ALA 35 -6.826 -8.348 -0.623 286 H HIS 36 H HIS 36 -7.682 -4.553 -1.778 287 HA HIS 36 HA HIS 36 -8.283 -4.365 -4.559 288 HB2 HIS 36 2HB HIS 36 -8.582 -2.305 -2.326 289 HB3 HIS 36 3HB HIS 36 -9.182 -2.057 -3.963 290 HD1 HIS 36 HD1 HIS 36 -11.126 -1.977 -1.580 291 HD2 HIS 36 HD2 HIS 36 -10.352 -5.404 -3.785 292 HE1 HIS 36 HE1 HIS 36 -13.129 -3.445 -1.267 293 HE2 HIS 36 HE2 HIS 36 -12.577 -5.564 -2.495 294 H LEU 37 H LEU 37 -5.928 -2.801 -2.455 295 HA LEU 37 HA LEU 37 -4.873 -0.987 -4.408 296 HB2 LEU 37 2HB LEU 37 -4.820 -0.731 -1.868 297 HB3 LEU 37 3HB LEU 37 -3.553 -1.949 -1.843 298 HG LEU 37 HG LEU 37 -2.118 -0.439 -3.247 299 HD11 LEU 37 1HD1 LEU 37 -3.888 0.840 -4.366 300 HD12 LEU 37 2HD1 LEU 37 -2.735 1.903 -3.568 301 HD13 LEU 37 3HD1 LEU 37 -4.316 1.612 -2.836 302 HD21 LEU 37 3HD2 LEU 37 -1.874 -0.447 -0.811 303 HD22 LEU 37 1HD2 LEU 37 -3.102 0.814 -0.665 304 HD23 LEU 37 2HD2 LEU 37 -1.569 1.154 -1.475 305 H ALA 38 H ALA 38 -3.976 -4.188 -3.181 306 HA ALA 38 HA ALA 38 -1.503 -4.587 -4.423 307 HB1 ALA 38 3HB ALA 38 -2.415 -6.060 -2.667 308 HB2 ALA 38 1HB ALA 38 -1.896 -6.985 -4.078 309 HB3 ALA 38 2HB ALA 38 -3.614 -6.681 -3.802 310 H LYS 39 H LYS 39 -4.737 -5.647 -5.630 311 HA LYS 39 HA LYS 39 -3.824 -6.764 -8.047 312 HB2 LYS 39 2HB LYS 39 -6.206 -6.732 -8.771 313 HB3 LYS 39 3HB LYS 39 -5.986 -7.373 -7.147 314 HG2 LYS 39 2HG LYS 39 -6.715 -5.206 -6.194 315 HG3 LYS 39 3HG LYS 39 -6.975 -4.584 -7.824 316 HD2 LYS 39 2HD LYS 39 -8.415 -7.006 -6.668 317 HD3 LYS 39 3HD LYS 39 -9.068 -5.367 -6.656 318 HE2 LYS 39 2HE LYS 39 -9.099 -5.319 -9.092 319 HE3 LYS 39 3HE LYS 39 -8.333 -6.910 -9.169 320 HZ1 LYS 39 3HZ LYS 39 -11.010 -6.350 -7.985 321 HZ2 LYS 39 1HZ LYS 39 -10.271 -7.869 -8.095 322 HZ3 LYS 39 2HZ LYS 39 -10.734 -7.050 -9.500 323 H ASN 40 H ASN 40 -5.047 -3.483 -7.424 324 HA ASN 40 HA ASN 40 -5.096 -2.531 -10.080 325 HB2 ASN 40 2HB ASN 40 -4.822 -1.066 -7.431 326 HB3 ASN 40 3HB ASN 40 -5.013 -0.239 -8.974 327 HD21 ASN 40 1HD2 ASN 40 -6.932 0.685 -8.075 328 HD22 ASN 40 2HD2 ASN 40 -8.406 -0.211 -8.038 329 H LEU 41 H LEU 41 -2.498 -2.549 -7.676 330 HA LEU 41 HA LEU 41 -0.630 -1.165 -9.494 331 HB2 LEU 41 2HB LEU 41 -0.475 -1.909 -6.555 332 HB3 LEU 41 3HB LEU 41 0.851 -1.150 -7.427 333 HG LEU 41 HG LEU 41 -1.908 0.082 -6.996 334 HD11 LEU 41 1HD1 LEU 41 -0.776 1.682 -5.518 335 HD12 LEU 41 2HD1 LEU 41 0.737 0.785 -5.695 336 HD13 LEU 41 3HD1 LEU 41 -0.654 0.031 -4.913 337 HD21 LEU 41 3HD2 LEU 41 0.559 1.250 -8.328 338 HD22 LEU 41 1HD2 LEU 41 -0.935 2.119 -7.971 339 HD23 LEU 41 2HD2 LEU 41 -0.953 0.792 -9.125 340 H LYS 42 H LYS 42 -1.560 -4.228 -9.385 341 HA LYS 42 HA LYS 42 -0.742 -6.278 -9.812 342 HB2 LYS 42 2HB LYS 42 1.454 -4.640 -11.121 343 HB3 LYS 42 3HB LYS 42 1.308 -6.384 -11.312 344 HG2 LYS 42 2HG LYS 42 -0.757 -4.323 -12.156 345 HG3 LYS 42 3HG LYS 42 0.356 -5.173 -13.230 346 HD2 LYS 42 2HD LYS 42 -0.723 -7.352 -12.465 347 HD3 LYS 42 3HD LYS 42 -1.925 -6.383 -11.606 348 HE2 LYS 42 2HE LYS 42 -2.835 -7.083 -13.750 349 HE3 LYS 42 3HE LYS 42 -2.577 -5.338 -13.780 350 HZ1 LYS 42 3HZ LYS 42 -1.853 -6.458 -15.821 351 HZ2 LYS 42 1HZ LYS 42 -0.718 -7.348 -14.941 352 HZ3 LYS 42 2HZ LYS 42 -0.574 -5.667 -15.050 353 H LEU 43 H LEU 43 0.093 -4.997 -7.284 354 HA LEU 43 HA LEU 43 2.540 -6.417 -6.501 355 HB2 LEU 43 2HB LEU 43 0.593 -4.668 -4.938 356 HB3 LEU 43 3HB LEU 43 1.982 -5.454 -4.199 357 HG LEU 43 HG LEU 43 2.107 -3.321 -6.371 358 HD11 LEU 43 1HD1 LEU 43 3.039 -1.862 -4.626 359 HD12 LEU 43 2HD1 LEU 43 2.788 -3.127 -3.420 360 HD13 LEU 43 3HD1 LEU 43 1.403 -2.384 -4.223 361 HD21 LEU 43 3HD2 LEU 43 4.545 -3.330 -5.969 362 HD22 LEU 43 1HD2 LEU 43 3.979 -4.877 -6.595 363 HD23 LEU 43 2HD2 LEU 43 4.367 -4.708 -4.880 364 H THR 44 H THR 44 2.288 -7.610 -4.267 365 HA THR 44 HA THR 44 -0.156 -9.311 -4.221 366 HB THR 44 HB THR 44 1.078 -10.946 -2.913 367 HG1 THR 44 HG1 THR 44 3.457 -10.375 -2.575 368 HG21 THR 44 3HG2 THR 44 2.914 -11.591 -4.421 369 HG22 THR 44 1HG2 THR 44 2.903 -9.985 -5.151 370 HG23 THR 44 2HG2 THR 44 1.515 -11.059 -5.356 371 H GLU 45 H GLU 45 -1.049 -9.754 -2.035 372 HA GLU 45 HA GLU 45 -1.483 -7.480 -0.436 373 HB2 GLU 45 2HB GLU 45 -1.863 -10.432 0.204 374 HB3 GLU 45 3HB GLU 45 -2.466 -9.123 1.219 375 HG2 GLU 45 2HG GLU 45 -3.963 -8.368 -0.534 376 HG3 GLU 45 3HG GLU 45 -3.259 -9.520 -1.677 377 H THR 46 H THR 46 0.913 -10.065 -0.123 378 HA THR 46 HA THR 46 1.941 -9.409 2.428 379 HB THR 46 HB THR 46 3.318 -10.800 0.081 380 HG1 THR 46 HG1 THR 46 2.915 -12.611 1.706 381 HG21 THR 46 3HG2 THR 46 4.216 -10.659 2.990 382 HG22 THR 46 1HG2 THR 46 5.046 -9.911 1.622 383 HG23 THR 46 2HG2 THR 46 4.947 -11.668 1.741 384 H GLN 47 H GLN 47 2.905 -8.359 -0.863 385 HA GLN 47 HA GLN 47 5.107 -6.751 -0.079 386 HB2 GLN 47 2HB GLN 47 3.426 -6.693 -2.613 387 HB3 GLN 47 3HB GLN 47 4.858 -5.691 -2.379 388 HG2 GLN 47 2HG GLN 47 6.167 -7.814 -1.986 389 HG3 GLN 47 3HG GLN 47 4.739 -8.716 -2.490 390 HE21 GLN 47 1HE2 GLN 47 5.932 -5.678 -3.923 391 HE22 GLN 47 2HE2 GLN 47 6.321 -6.365 -5.454 392 H VAL 48 H VAL 48 1.697 -5.829 -0.726 393 HA VAL 48 HA VAL 48 1.908 -3.074 -0.224 394 HB VAL 48 HB VAL 48 -0.458 -4.934 0.333 395 HG11 VAL 48 1HG1 VAL 48 -1.893 -2.915 0.241 396 HG12 VAL 48 2HG1 VAL 48 -0.453 -1.897 0.134 397 HG13 VAL 48 3HG1 VAL 48 -0.754 -2.848 1.589 398 HG21 VAL 48 3HG2 VAL 48 0.250 -4.947 -2.023 399 HG22 VAL 48 1HG2 VAL 48 0.142 -3.187 -2.088 400 HG23 VAL 48 2HG2 VAL 48 -1.316 -4.158 -1.852 401 H LYS 49 H LYS 49 1.336 -5.784 2.055 402 HA LYS 49 HA LYS 49 1.203 -4.316 4.455 403 HB2 LYS 49 2HB LYS 49 0.568 -6.713 4.269 404 HB3 LYS 49 3HB LYS 49 2.261 -7.144 4.047 405 HG2 LYS 49 2HG LYS 49 2.701 -6.140 6.349 406 HG3 LYS 49 3HG LYS 49 0.957 -6.004 6.540 407 HD2 LYS 49 2HD LYS 49 1.502 -8.015 7.652 408 HD3 LYS 49 3HD LYS 49 0.876 -8.549 6.093 409 HE2 LYS 49 2HE LYS 49 3.827 -8.275 6.760 410 HE3 LYS 49 3HE LYS 49 2.920 -9.783 6.844 411 HZ1 LYS 49 3HZ LYS 49 2.446 -9.508 4.447 412 HZ2 LYS 49 1HZ LYS 49 4.086 -9.721 4.802 413 HZ3 LYS 49 2HZ LYS 49 3.500 -8.182 4.410 414 H ILE 50 H ILE 50 4.047 -5.614 2.709 415 HA ILE 50 HA ILE 50 6.051 -5.085 4.632 416 HB ILE 50 HB ILE 50 6.273 -5.231 1.586 417 HG12 ILE 50 2HG1 ILE 50 7.058 -7.327 3.673 418 HG13 ILE 50 3HG1 ILE 50 5.538 -7.340 2.793 419 HG21 ILE 50 1HG2 ILE 50 8.719 -5.517 1.883 420 HG22 ILE 50 2HG2 ILE 50 8.544 -5.222 3.612 421 HG23 ILE 50 3HG2 ILE 50 8.175 -3.939 2.459 422 HD11 ILE 50 3HD1 ILE 50 6.767 -7.591 0.684 423 HD12 ILE 50 1HD1 ILE 50 7.094 -8.898 1.821 424 HD13 ILE 50 2HD1 ILE 50 8.285 -7.620 1.587 425 H TRP 51 H TRP 51 5.234 -3.195 1.684 426 HA TRP 51 HA TRP 51 6.835 -0.970 2.068 427 HB2 TRP 51 2HB TRP 51 5.527 -1.464 -0.025 428 HB3 TRP 51 3HB TRP 51 4.058 -0.962 0.794 429 HD1 TRP 51 HD1 TRP 51 7.219 0.515 -0.847 430 HE1 TRP 51 HE1 TRP 51 6.880 3.018 -1.223 431 HE3 TRP 51 HE3 TRP 51 2.887 1.155 1.771 432 HZ2 TRP 51 HZ2 TRP 51 5.049 5.016 -0.496 433 HZ3 TRP 51 HZ3 TRP 51 1.910 3.406 1.907 434 HH2 TRP 51 HH2 TRP 51 2.974 5.304 0.793 435 H PHE 52 H PHE 52 3.346 -1.215 2.961 436 HA PHE 52 HA PHE 52 3.133 1.211 4.320 437 HB2 PHE 52 2HB PHE 52 1.538 -1.344 4.434 438 HB3 PHE 52 3HB PHE 52 1.180 -0.073 5.598 439 HD1 PHE 52 HD1 PHE 52 1.338 -0.786 1.925 440 HD2 PHE 52 HD2 PHE 52 -0.113 1.844 4.958 441 HE1 PHE 52 HE1 PHE 52 -0.029 0.384 0.265 442 HE2 PHE 52 HE2 PHE 52 -1.486 3.012 3.284 443 HZ PHE 52 HZ PHE 52 -1.442 2.291 0.932 444 H GLN 53 H GLN 53 4.242 -1.922 5.659 445 HA GLN 53 HA GLN 53 4.228 -1.205 8.407 446 HB2 GLN 53 2HB GLN 53 4.406 -3.554 7.614 447 HB3 GLN 53 3HB GLN 53 6.018 -3.224 6.991 448 HG2 GLN 53 2HG GLN 53 6.820 -2.804 9.297 449 HG3 GLN 53 3HG GLN 53 5.203 -3.127 9.917 450 HE21 GLN 53 1HE2 GLN 53 4.726 -5.400 8.099 451 HE22 GLN 53 2HE2 GLN 53 5.700 -6.691 8.694 452 H ASN 54 H ASN 54 6.964 -1.222 6.072 453 HA ASN 54 HA ASN 54 8.875 -0.024 7.798 454 HB2 ASN 54 2HB ASN 54 8.808 -0.002 4.754 455 HB3 ASN 54 3HB ASN 54 10.202 0.433 5.740 456 HD21 ASN 54 1HD2 ASN 54 8.478 -2.133 4.299 457 HD22 ASN 54 2HD2 ASN 54 9.424 -3.425 4.933 458 H ARG 55 H ARG 55 6.646 1.393 5.427 459 HA ARG 55 HA ARG 55 7.507 4.075 5.571 460 HB2 ARG 55 2HB ARG 55 4.803 2.915 4.859 461 HB3 ARG 55 3HB ARG 55 5.210 4.618 4.662 462 HG2 ARG 55 2HG ARG 55 6.652 2.335 3.286 463 HG3 ARG 55 3HG ARG 55 5.351 3.283 2.573 464 HD2 ARG 55 2HD ARG 55 8.120 4.238 3.346 465 HD3 ARG 55 3HD ARG 55 7.417 4.119 1.719 466 HE ARG 55 HE ARG 55 6.468 6.012 3.807 467 HH11 ARG 55 1HH1 ARG 55 7.173 5.415 0.459 468 HH12 ARG 55 2HH1 ARG 55 6.685 6.998 -0.024 469 HH21 ARG 55 2HH2 ARG 55 5.899 8.026 3.167 470 HH22 ARG 55 1HH2 ARG 55 5.961 8.456 1.495 471 H ARG 56 H ARG 56 5.227 2.247 7.594 472 HA ARG 56 HA ARG 56 4.225 4.451 9.101 473 HB2 ARG 56 2HB ARG 56 4.310 1.459 9.576 474 HB3 ARG 56 3HB ARG 56 3.736 2.547 10.837 475 HG2 ARG 56 2HG ARG 56 1.910 3.317 9.457 476 HG3 ARG 56 3HG ARG 56 2.537 2.461 8.047 477 HD2 ARG 56 2HD ARG 56 0.620 1.278 9.078 478 HD3 ARG 56 3HD ARG 56 2.095 0.307 9.112 479 HE ARG 56 HE ARG 56 1.616 1.839 11.515 480 HH11 ARG 56 1HH1 ARG 56 1.022 -1.209 9.939 481 HH12 ARG 56 2HH1 ARG 56 0.693 -2.027 11.429 482 HH21 ARG 56 1HH2 ARG 56 1.186 0.766 13.404 483 HH22 ARG 56 2HH2 ARG 56 0.792 -0.916 13.382 484 H TYR 57 H TYR 57 6.986 2.261 9.490 485 HA TYR 57 HA TYR 57 8.024 3.356 11.909 486 HB2 TYR 57 2HB TYR 57 8.618 1.099 10.967 487 HB3 TYR 57 3HB TYR 57 9.512 1.896 9.681 488 HD1 TYR 57 HD1 TYR 57 9.375 1.677 13.435 489 HD2 TYR 57 HD2 TYR 57 11.850 2.286 9.999 490 HE1 TYR 57 HE1 TYR 57 11.375 1.655 14.863 491 HE2 TYR 57 HE2 TYR 57 13.842 2.268 11.433 492 HH TYR 57 HH TYR 57 14.336 2.770 13.911 493 H LYS 58 H LYS 58 8.163 4.355 8.584 494 HA LYS 58 HA LYS 58 10.340 6.288 8.977 495 HB2 LYS 58 2HB LYS 58 8.725 5.573 6.506 496 HB3 LYS 58 3HB LYS 58 10.003 6.787 6.536 497 HG2 LYS 58 2HG LYS 58 11.641 5.025 7.165 498 HG3 LYS 58 3HG LYS 58 10.356 3.815 7.077 499 HD2 LYS 58 2HD LYS 58 11.648 3.781 5.002 500 HD3 LYS 58 3HD LYS 58 10.018 4.371 4.667 501 HE2 LYS 58 2HE LYS 58 10.947 6.727 4.780 502 HE3 LYS 58 3HE LYS 58 12.556 6.012 4.915 503 HZ1 LYS 58 3HZ LYS 58 12.223 6.526 2.655 504 HZ2 LYS 58 1HZ LYS 58 10.686 5.823 2.625 505 HZ3 LYS 58 2HZ LYS 58 12.052 4.851 2.773 506 H THR 59 H THR 59 6.884 6.320 9.255 507 HA THR 59 HA THR 59 6.413 9.012 8.379 508 HB THR 59 HB THR 59 4.649 7.385 10.258 509 HG1 THR 59 HG1 THR 59 5.220 6.927 7.730 510 HG21 THR 59 3HG2 THR 59 4.037 9.773 10.288 511 HG22 THR 59 1HG2 THR 59 2.810 8.840 9.428 512 HG23 THR 59 2HG2 THR 59 3.983 9.798 8.522 513 H LYS 60 H LYS 60 8.216 10.067 9.470 514 HA LYS 60 HA LYS 60 9.080 11.555 10.931 515 HB2 LYS 60 2HB LYS 60 6.105 12.063 11.074 516 HB3 LYS 60 3HB LYS 60 7.198 13.062 12.014 517 HG2 LYS 60 2HG LYS 60 6.676 14.225 9.972 518 HG3 LYS 60 3HG LYS 60 8.367 13.728 9.922 519 HD2 LYS 60 2HD LYS 60 7.772 11.848 8.427 520 HD3 LYS 60 3HD LYS 60 6.074 12.319 8.511 521 HE2 LYS 60 2HE LYS 60 6.589 14.450 7.398 522 HE3 LYS 60 3HE LYS 60 8.304 14.039 7.363 523 HZ1 LYS 60 3HZ LYS 60 7.795 12.170 5.920 524 HZ2 LYS 60 1HZ LYS 60 7.232 13.611 5.233 525 HZ3 LYS 60 2HZ LYS 60 6.147 12.541 5.968 526 H ARG 61 H ARG 61 8.821 8.917 12.164 527 HA ARG 61 HA ARG 61 7.964 9.180 14.893 528 HB2 ARG 61 2HB ARG 61 9.721 7.075 13.562 529 HB3 ARG 61 3HB ARG 61 9.188 6.989 15.238 530 HG2 ARG 61 2HG ARG 61 6.790 7.049 14.318 531 HG3 ARG 61 3HG ARG 61 7.511 6.760 12.730 532 HD2 ARG 61 2HD ARG 61 8.525 4.670 13.554 533 HD3 ARG 61 3HD ARG 61 7.874 4.977 15.171 534 HE ARG 61 HE ARG 61 5.760 4.965 13.318 535 HH11 ARG 61 1HH1 ARG 61 7.955 2.696 14.781 536 HH12 ARG 61 2HH1 ARG 61 6.877 1.368 14.548 537 HH21 ARG 61 1HH2 ARG 61 4.431 3.231 13.024 538 HH22 ARG 61 2HH2 ARG 61 4.928 1.664 13.559 539 H LYS 62 H LYS 62 9.471 8.679 16.746 540 HA LYS 62 HA LYS 62 11.582 10.523 17.029 541 HB2 LYS 62 2HB LYS 62 12.103 9.347 19.144 542 HB3 LYS 62 3HB LYS 62 10.377 9.649 18.979 543 HG2 LYS 62 2HG LYS 62 9.987 7.301 18.375 544 HG3 LYS 62 3HG LYS 62 11.725 6.978 18.417 545 HD2 LYS 62 2HD LYS 62 11.756 7.517 20.844 546 HD3 LYS 62 3HD LYS 62 10.016 7.814 20.798 547 HE2 LYS 62 2HE LYS 62 9.631 5.463 20.171 548 HE3 LYS 62 3HE LYS 62 11.371 5.162 20.196 549 HZ1 LYS 62 3HZ LYS 62 10.373 4.422 22.243 550 HZ2 LYS 62 1HZ LYS 62 9.691 5.948 22.522 551 HZ3 LYS 62 2HZ LYS 62 11.369 5.750 22.562 552 H GLN 63 H GLN 63 13.770 10.363 16.710 553 HA GLN 63 HA GLN 63 14.921 7.834 15.657 554 HB2 GLN 63 2HB GLN 63 15.759 10.696 14.959 555 HB3 GLN 63 3HB GLN 63 16.423 9.220 14.260 556 HG2 GLN 63 2HG GLN 63 13.605 10.294 13.899 557 HG3 GLN 63 3HG GLN 63 14.890 10.278 12.693 558 HE21 GLN 63 1HE2 GLN 63 12.152 9.051 12.790 559 HE22 GLN 63 2HE2 GLN 63 12.408 7.393 12.381 560 H LEU 64 H LEU 64 17.559 8.385 15.721 561 HA LEU 64 HA LEU 64 18.270 8.090 18.459 562 HB2 LEU 64 2HB LEU 64 19.453 7.032 16.512 563 HB3 LEU 64 3HB LEU 64 20.086 8.607 16.076 564 HG LEU 64 HG LEU 64 21.436 8.694 18.134 565 HD11 LEU 64 1HD1 LEU 64 20.229 5.994 18.840 566 HD12 LEU 64 2HD1 LEU 64 19.949 7.519 19.687 567 HD13 LEU 64 3HD1 LEU 64 21.551 6.789 19.700 568 HD21 LEU 64 3HD2 LEU 64 23.016 6.868 17.650 569 HD22 LEU 64 1HD2 LEU 64 22.420 7.595 16.157 570 HD23 LEU 64 2HD2 LEU 64 21.785 6.039 16.695 571 H SER 65 H SER 65 18.265 10.800 16.248 572 HA SER 65 HA SER 65 18.398 13.023 16.425 573 HB2 SER 65 2HB SER 65 18.394 12.609 19.437 574 HB3 SER 65 3HB SER 65 18.272 14.185 18.646 575 HG SER 65 HG SER 65 16.355 12.287 19.038 576 H SER 66 H SER 66 20.645 11.802 18.978 577 HA SER 66 HA SER 66 22.885 13.226 17.754 578 HB2 SER 66 2HB SER 66 24.226 12.209 19.607 579 HB3 SER 66 3HB SER 66 22.823 13.081 20.221 580 HG SER 66 HG SER 66 23.257 10.298 20.051 581 H GLU 67 H GLU 67 22.366 12.031 15.689 582 HA GLU 67 HA GLU 67 23.231 9.194 15.597 583 HB2 GLU 67 2HB GLU 67 20.908 9.645 14.866 584 HB3 GLU 67 3HB GLU 67 21.499 10.774 13.653 585 HG2 GLU 67 2HG GLU 67 22.652 8.929 12.483 586 HG3 GLU 67 3HG GLU 67 22.093 7.793 13.711 587 H LEU 68 H LEU 68 24.994 8.625 14.498 588 HA LEU 68 HA LEU 68 26.652 10.534 13.086 589 HB2 LEU 68 2HB LEU 68 27.534 8.658 14.537 590 HB3 LEU 68 3HB LEU 68 26.969 7.512 13.335 591 HG LEU 68 HG LEU 68 28.562 8.503 11.666 592 HD11 LEU 68 1HD1 LEU 68 30.344 10.037 12.444 593 HD12 LEU 68 2HD1 LEU 68 29.522 10.194 13.998 594 HD13 LEU 68 3HD1 LEU 68 28.745 10.775 12.524 595 HD21 LEU 68 3HD2 LEU 68 29.844 7.536 14.246 596 HD22 LEU 68 1HD2 LEU 68 30.624 7.567 12.662 597 HD23 LEU 68 2HD2 LEU 68 29.232 6.522 12.936 598 H GLY 69 H GLY 69 24.642 7.711 12.226 599 HA2 GLY 69 2HA GLY 69 23.408 7.292 10.324 600 HA3 GLY 69 3HA GLY 69 24.004 8.777 9.612 Start of MODEL 14 1 H1 MET 1 1H MET 1 22.280 -18.358 13.983 2 H2 MET 1 2H MET 1 23.720 -18.719 14.783 3 H3 MET 1 3H MET 1 23.619 -17.348 13.800 4 HA MET 1 HA MET 1 22.104 -17.802 16.307 5 HB2 MET 1 2HB MET 1 24.386 -15.847 15.743 6 HB3 MET 1 3HB MET 1 23.516 -15.995 17.268 7 HG2 MET 1 2HG MET 1 24.397 -18.305 17.522 8 HG3 MET 1 3HG MET 1 25.307 -18.102 16.020 9 HE1 MET 1 3HE MET 1 28.165 -17.923 18.720 10 HE2 MET 1 1HE MET 1 27.669 -18.645 17.191 11 HE3 MET 1 2HE MET 1 26.765 -18.996 18.665 12 H GLY 2 H GLY 2 20.698 -16.055 16.915 13 HA2 GLY 2 2HA GLY 2 19.378 -14.171 16.656 14 HA3 GLY 2 3HA GLY 2 20.304 -13.727 15.233 15 H HIS 3 H HIS 3 18.273 -13.115 14.264 16 HA HIS 3 HA HIS 3 16.491 -15.330 13.410 17 HB2 HIS 3 2HB HIS 3 14.824 -13.664 12.910 18 HB3 HIS 3 3HB HIS 3 15.462 -13.285 14.500 19 HD1 HIS 3 HD1 HIS 3 15.340 -12.005 10.982 20 HD2 HIS 3 HD2 HIS 3 16.768 -10.781 14.682 21 HE1 HIS 3 HE1 HIS 3 15.962 -9.603 10.696 22 HE2 HIS 3 HE2 HIS 3 16.525 -8.839 13.012 23 H HIS 4 H HIS 4 15.880 -15.489 11.159 24 HA HIS 4 HA HIS 4 17.984 -15.188 9.272 25 HB2 HIS 4 2HB HIS 4 15.034 -15.758 8.741 26 HB3 HIS 4 3HB HIS 4 16.350 -16.014 7.598 27 HD1 HIS 4 HD1 HIS 4 18.194 -17.864 8.440 28 HD2 HIS 4 HD2 HIS 4 14.483 -17.951 10.304 29 HE1 HIS 4 HE1 HIS 4 18.035 -20.116 9.528 30 HE2 HIS 4 HE2 HIS 4 15.829 -20.103 10.733 31 H HIS 5 H HIS 5 18.402 -13.590 7.735 32 HA HIS 5 HA HIS 5 17.001 -11.068 7.927 33 HB2 HIS 5 2HB HIS 5 18.622 -10.266 6.195 34 HB3 HIS 5 3HB HIS 5 19.389 -10.959 7.612 35 HD1 HIS 5 HD1 HIS 5 20.864 -13.018 7.273 36 HD2 HIS 5 HD2 HIS 5 18.980 -11.777 3.786 37 HE1 HIS 5 HE1 HIS 5 21.994 -14.261 5.414 38 HE2 HIS 5 HE2 HIS 5 20.878 -13.449 3.317 39 H HIS 6 H HIS 6 15.509 -10.212 6.566 40 HA HIS 6 HA HIS 6 14.593 -11.802 4.231 41 HB2 HIS 6 2HB HIS 6 12.911 -10.448 6.378 42 HB3 HIS 6 3HB HIS 6 12.244 -11.083 4.875 43 HD1 HIS 6 HD1 HIS 6 13.335 -12.107 8.257 44 HD2 HIS 6 HD2 HIS 6 12.368 -13.966 4.665 45 HE1 HIS 6 HE1 HIS 6 13.000 -14.525 8.810 46 HE2 HIS 6 HE2 HIS 6 12.438 -15.637 6.632 47 H HIS 7 H HIS 7 15.227 -10.586 2.505 48 HA HIS 7 HA HIS 7 15.088 -7.709 2.466 49 HB2 HIS 7 2HB HIS 7 15.761 -7.867 0.107 50 HB3 HIS 7 3HB HIS 7 16.784 -8.871 1.118 51 HD1 HIS 7 HD1 HIS 7 16.765 -11.404 0.656 52 HD2 HIS 7 HD2 HIS 7 14.140 -9.283 -1.768 53 HE1 HIS 7 HE1 HIS 7 16.108 -12.983 -1.173 54 HE2 HIS 7 HE2 HIS 7 14.470 -11.706 -2.580 55 H HIS 8 H HIS 8 13.433 -6.415 1.783 56 HA HIS 8 HA HIS 8 10.871 -7.663 1.071 57 HB2 HIS 8 2HB HIS 8 11.508 -4.721 1.570 58 HB3 HIS 8 3HB HIS 8 9.901 -5.436 1.437 59 HD1 HIS 8 HD1 HIS 8 9.813 -7.674 3.320 60 HD2 HIS 8 HD2 HIS 8 12.017 -4.281 4.212 61 HE1 HIS 8 HE1 HIS 8 10.117 -7.707 5.796 62 HE2 HIS 8 HE2 HIS 8 11.625 -5.759 6.280 63 H SER 9 H SER 9 9.824 -7.401 -0.866 64 HA SER 9 HA SER 9 11.282 -7.045 -3.250 65 HB2 SER 9 2HB SER 9 9.266 -8.449 -3.108 66 HB3 SER 9 3HB SER 9 8.274 -7.034 -2.767 67 HG SER 9 HG SER 9 8.454 -7.951 -5.029 68 H HIS 10 H HIS 10 11.627 -5.272 -4.548 69 HA HIS 10 HA HIS 10 10.953 -2.633 -3.543 70 HB2 HIS 10 2HB HIS 10 12.533 -3.510 -5.990 71 HB3 HIS 10 3HB HIS 10 12.271 -1.823 -5.550 72 HD1 HIS 10 HD1 HIS 10 13.194 -1.179 -3.055 73 HD2 HIS 10 HD2 HIS 10 14.780 -4.580 -4.825 74 HE1 HIS 10 HE1 HIS 10 15.335 -1.624 -1.845 75 HE2 HIS 10 HE2 HIS 10 16.221 -3.744 -2.856 76 H MET 11 H MET 11 10.511 -1.026 -5.666 77 HA MET 11 HA MET 11 8.030 -1.787 -6.976 78 HB2 MET 11 2HB MET 11 8.074 0.210 -4.659 79 HB3 MET 11 3HB MET 11 6.762 0.138 -5.827 80 HG2 MET 11 2HG MET 11 6.037 -1.973 -5.050 81 HG3 MET 11 3HG MET 11 7.543 -2.273 -4.183 82 HE1 MET 11 3HE MET 11 4.639 -2.728 -2.905 83 HE2 MET 11 1HE MET 11 4.833 -2.002 -1.312 84 HE3 MET 11 2HE MET 11 6.114 -3.013 -1.982 85 H SER 12 H SER 12 7.251 0.008 -8.411 86 HA SER 12 HA SER 12 9.506 1.611 -9.432 87 HB2 SER 12 2HB SER 12 6.734 1.125 -10.571 88 HB3 SER 12 3HB SER 12 7.978 2.100 -11.360 89 HG SER 12 HG SER 12 7.646 -0.414 -11.677 90 H HIS 13 H HIS 13 9.074 3.941 -10.099 91 HA HIS 13 HA HIS 13 8.663 5.442 -7.785 92 HB2 HIS 13 2HB HIS 13 10.092 6.193 -9.650 93 HB3 HIS 13 3HB HIS 13 8.673 6.445 -10.653 94 HD1 HIS 13 HD1 HIS 13 10.443 7.887 -7.656 95 HD2 HIS 13 HD2 HIS 13 7.365 8.890 -10.257 96 HE1 HIS 13 HE1 HIS 13 9.847 10.254 -7.107 97 HE2 HIS 13 HE2 HIS 13 8.140 10.899 -8.831 98 H THR 14 H THR 14 6.471 5.411 -10.694 99 HA THR 14 HA THR 14 4.489 7.080 -9.520 100 HB THR 14 HB THR 14 4.160 5.137 -11.852 101 HG1 THR 14 HG1 THR 14 4.451 7.154 -13.060 102 HG21 THR 14 3HG2 THR 14 2.452 7.529 -11.038 103 HG22 THR 14 1HG2 THR 14 1.955 5.834 -10.977 104 HG23 THR 14 2HG2 THR 14 2.268 6.606 -12.531 105 H GLN 15 H GLN 15 4.932 3.585 -9.549 106 HA GLN 15 HA GLN 15 2.484 2.734 -8.458 107 HB2 GLN 15 2HB GLN 15 4.093 1.168 -9.405 108 HB3 GLN 15 3HB GLN 15 5.289 1.587 -8.183 109 HG2 GLN 15 2HG GLN 15 4.012 0.511 -6.448 110 HG3 GLN 15 3HG GLN 15 2.626 0.298 -7.521 111 HE21 GLN 15 1HE2 GLN 15 2.727 -1.313 -9.125 112 HE22 GLN 15 2HE2 GLN 15 3.861 -2.608 -9.028 113 H VAL 16 H VAL 16 5.536 3.668 -6.815 114 HA VAL 16 HA VAL 16 4.590 3.476 -4.160 115 HB VAL 16 HB VAL 16 6.894 5.176 -5.229 116 HG11 VAL 16 1HG1 VAL 16 7.784 5.203 -2.914 117 HG12 VAL 16 2HG1 VAL 16 6.337 4.369 -2.340 118 HG13 VAL 16 3HG1 VAL 16 6.211 5.998 -3.005 119 HG21 VAL 16 3HG2 VAL 16 6.929 2.396 -3.971 120 HG22 VAL 16 1HG2 VAL 16 8.350 3.313 -4.490 121 HG23 VAL 16 2HG2 VAL 16 7.171 2.762 -5.679 122 H ILE 17 H ILE 17 4.328 6.133 -6.523 123 HA ILE 17 HA ILE 17 3.394 8.169 -4.780 124 HB ILE 17 HB ILE 17 2.614 7.706 -7.703 125 HG12 ILE 17 2HG1 ILE 17 4.787 9.515 -6.526 126 HG13 ILE 17 3HG1 ILE 17 5.056 8.017 -7.410 127 HG21 ILE 17 1HG2 ILE 17 2.286 10.232 -6.032 128 HG22 ILE 17 2HG2 ILE 17 0.986 9.182 -6.600 129 HG23 ILE 17 3HG2 ILE 17 1.950 10.092 -7.760 130 HD11 ILE 17 3HD1 ILE 17 3.887 10.564 -8.531 131 HD12 ILE 17 1HD1 ILE 17 4.077 9.049 -9.423 132 HD13 ILE 17 2HD1 ILE 17 5.496 9.908 -8.827 133 H GLU 18 H GLU 18 1.612 5.689 -6.642 134 HA GLU 18 HA GLU 18 -1.010 6.355 -5.807 135 HB2 GLU 18 2HB GLU 18 0.089 3.691 -6.808 136 HB3 GLU 18 3HB GLU 18 -1.619 4.115 -6.718 137 HG2 GLU 18 2HG GLU 18 0.431 5.544 -8.446 138 HG3 GLU 18 3HG GLU 18 -0.642 4.270 -9.016 139 H LEU 19 H LEU 19 1.362 4.054 -4.511 140 HA LEU 19 HA LEU 19 -0.096 2.965 -2.355 141 HB2 LEU 19 2HB LEU 19 2.873 3.488 -2.746 142 HB3 LEU 19 3HB LEU 19 2.248 2.616 -1.361 143 HG LEU 19 HG LEU 19 1.779 1.665 -4.206 144 HD11 LEU 19 1HD1 LEU 19 4.060 0.863 -2.382 145 HD12 LEU 19 2HD1 LEU 19 4.187 1.781 -3.884 146 HD13 LEU 19 3HD1 LEU 19 3.645 0.110 -3.926 147 HD21 LEU 19 3HD2 LEU 19 0.266 0.724 -2.530 148 HD22 LEU 19 1HD2 LEU 19 1.637 0.205 -1.546 149 HD23 LEU 19 2HD2 LEU 19 1.363 -0.507 -3.139 150 H GLU 20 H GLU 20 2.009 5.881 -2.501 151 HA GLU 20 HA GLU 20 1.827 6.652 0.211 152 HB2 GLU 20 2HB GLU 20 2.616 8.170 -2.297 153 HB3 GLU 20 3HB GLU 20 2.592 8.962 -0.725 154 HG2 GLU 20 2HG GLU 20 4.285 7.411 0.121 155 HG3 GLU 20 3HG GLU 20 4.263 6.515 -1.397 156 H ARG 21 H ARG 21 -0.203 7.406 -2.575 157 HA ARG 21 HA ARG 21 -1.898 9.345 -1.467 158 HB2 ARG 21 2HB ARG 21 -2.538 7.115 -3.443 159 HB3 ARG 21 3HB ARG 21 -3.641 8.437 -3.065 160 HG2 ARG 21 2HG ARG 21 -2.076 10.065 -3.973 161 HG3 ARG 21 3HG ARG 21 -0.871 8.806 -4.247 162 HD2 ARG 21 2HD ARG 21 -1.984 9.369 -6.339 163 HD3 ARG 21 3HD ARG 21 -2.386 7.715 -5.868 164 HE ARG 21 HE ARG 21 -4.386 9.427 -4.897 165 HH11 ARG 21 1HH1 ARG 21 -3.244 8.237 -7.970 166 HH12 ARG 21 2HH1 ARG 21 -4.788 8.448 -8.727 167 HH21 ARG 21 1HH2 ARG 21 -6.328 9.675 -5.908 168 HH22 ARG 21 2HH2 ARG 21 -6.509 9.254 -7.575 169 H LYS 22 H LYS 22 -2.252 5.789 -1.462 170 HA LYS 22 HA LYS 22 -4.608 5.664 0.098 171 HB2 LYS 22 2HB LYS 22 -3.610 3.858 -1.429 172 HB3 LYS 22 3HB LYS 22 -2.493 3.480 -0.127 173 HG2 LYS 22 2HG LYS 22 -4.333 1.912 -0.085 174 HG3 LYS 22 3HG LYS 22 -4.425 2.946 1.347 175 HD2 LYS 22 2HD LYS 22 -6.149 4.340 0.197 176 HD3 LYS 22 3HD LYS 22 -6.079 3.253 -1.191 177 HE2 LYS 22 2HE LYS 22 -6.888 1.405 0.220 178 HE3 LYS 22 3HE LYS 22 -6.925 2.487 1.616 179 HZ1 LYS 22 3HZ LYS 22 -8.499 3.891 0.346 180 HZ2 LYS 22 1HZ LYS 22 -9.103 2.354 0.719 181 HZ3 LYS 22 2HZ LYS 22 -8.558 2.692 -0.845 182 H PHE 23 H PHE 23 -1.193 5.562 0.947 183 HA PHE 23 HA PHE 23 -1.379 4.998 3.710 184 HB2 PHE 23 2HB PHE 23 0.689 4.768 2.318 185 HB3 PHE 23 3HB PHE 23 0.784 6.518 2.186 186 HD1 PHE 23 HD2 PHE 23 0.817 3.731 4.701 187 HD2 PHE 23 HD1 PHE 23 2.025 7.744 3.824 188 HE1 PHE 23 HE2 PHE 23 2.187 3.766 6.736 189 HE2 PHE 23 HE1 PHE 23 3.397 7.770 5.862 190 HZ PHE 23 HZ PHE 23 3.482 5.785 7.320 191 H SER 24 H SER 24 -1.213 8.073 1.909 192 HA SER 24 HA SER 24 -1.224 9.893 4.034 193 HB2 SER 24 2HB SER 24 -0.668 10.542 1.728 194 HB3 SER 24 3HB SER 24 -2.332 10.265 1.221 195 HG SER 24 HG SER 24 -1.263 12.299 2.843 196 H HIS 25 H HIS 25 -3.971 8.220 2.482 197 HA HIS 25 HA HIS 25 -5.963 9.642 4.007 198 HB2 HIS 25 2HB HIS 25 -6.047 7.153 2.261 199 HB3 HIS 25 3HB HIS 25 -7.460 7.702 3.161 200 HD1 HIS 25 HD1 HIS 25 -8.639 9.847 2.319 201 HD2 HIS 25 HD2 HIS 25 -5.412 8.722 -0.010 202 HE1 HIS 25 HE1 HIS 25 -8.822 11.205 0.229 203 HE2 HIS 25 HE2 HIS 25 -6.724 10.667 -1.051 204 H GLN 26 H GLN 26 -4.391 6.435 4.290 205 HA GLN 26 HA GLN 26 -4.997 6.249 7.130 206 HB2 GLN 26 2HB GLN 26 -6.215 4.094 6.961 207 HB3 GLN 26 3HB GLN 26 -7.089 5.414 6.184 208 HG2 GLN 26 2HG GLN 26 -6.285 4.624 3.966 209 HG3 GLN 26 3HG GLN 26 -5.449 3.290 4.768 210 HE21 GLN 26 1HE2 GLN 26 -6.700 1.613 5.669 211 HE22 GLN 26 2HE2 GLN 26 -8.342 1.357 5.218 212 H LYS 27 H LYS 27 -3.701 4.799 8.224 213 HA LYS 27 HA LYS 27 -1.193 4.137 6.876 214 HB2 LYS 27 2HB LYS 27 -1.943 4.063 9.826 215 HB3 LYS 27 3HB LYS 27 -0.308 3.963 9.170 216 HG2 LYS 27 2HG LYS 27 -2.178 6.352 8.992 217 HG3 LYS 27 3HG LYS 27 -0.752 6.210 10.022 218 HD2 LYS 27 2HD LYS 27 0.731 6.252 8.137 219 HD3 LYS 27 3HD LYS 27 -0.586 6.039 6.985 220 HE2 LYS 27 2HE LYS 27 0.259 8.353 7.006 221 HE3 LYS 27 3HE LYS 27 -1.432 8.277 7.502 222 HZ1 LYS 27 3HZ LYS 27 -0.757 8.487 9.791 223 HZ2 LYS 27 1HZ LYS 27 -0.103 9.760 8.892 224 HZ3 LYS 27 2HZ LYS 27 0.875 8.465 9.357 225 H TYR 28 H TYR 28 -3.935 2.388 8.011 226 HA TYR 28 HA TYR 28 -2.556 -0.189 7.552 227 HB2 TYR 28 2HB TYR 28 -4.482 0.444 9.834 228 HB3 TYR 28 3HB TYR 28 -4.011 -1.193 9.384 229 HD1 TYR 28 HD2 TYR 28 -1.450 -1.732 9.413 230 HD2 TYR 28 HD1 TYR 28 -3.156 1.627 11.433 231 HE1 TYR 28 HE2 TYR 28 0.513 -1.619 10.876 232 HE2 TYR 28 HE1 TYR 28 -1.198 1.742 12.900 233 HH TYR 28 HH TYR 28 1.669 -0.017 12.299 234 H LEU 29 H LEU 29 -3.556 -1.408 6.070 235 HA LEU 29 HA LEU 29 -6.292 -0.722 5.189 236 HB2 LEU 29 2HB LEU 29 -4.202 -2.479 3.851 237 HB3 LEU 29 3HB LEU 29 -5.744 -1.997 3.157 238 HG LEU 29 HG LEU 29 -3.329 -0.226 3.692 239 HD11 LEU 29 1HD1 LEU 29 -3.338 0.125 1.272 240 HD12 LEU 29 2HD1 LEU 29 -4.715 -0.967 1.102 241 HD13 LEU 29 3HD1 LEU 29 -3.162 -1.583 1.670 242 HD21 LEU 29 3HD2 LEU 29 -6.080 0.626 2.747 243 HD22 LEU 29 1HD2 LEU 29 -4.638 1.644 2.779 244 HD23 LEU 29 2HD2 LEU 29 -5.320 1.045 4.285 245 H SER 30 H SER 30 -7.973 -2.144 5.380 246 HA SER 30 HA SER 30 -7.688 -4.674 6.770 247 HB2 SER 30 2HB SER 30 -10.101 -3.407 5.409 248 HB3 SER 30 3HB SER 30 -10.160 -4.870 6.394 249 HG SER 30 HG SER 30 -10.323 -3.612 8.056 250 H ALA 31 H ALA 31 -8.915 -6.636 5.671 251 HA ALA 31 HA ALA 31 -7.388 -7.620 3.610 252 HB1 ALA 31 3HB ALA 31 -8.725 -9.032 5.093 253 HB2 ALA 31 1HB ALA 31 -8.977 -9.449 3.406 254 HB3 ALA 31 2HB ALA 31 -10.205 -8.518 4.274 255 HA PRO 32 HA PRO 32 -10.769 -6.463 0.195 256 HB2 PRO 32 2HB PRO 32 -12.270 -4.176 0.749 257 HB3 PRO 32 3HB PRO 32 -12.845 -5.838 1.006 258 HG2 PRO 32 2HG PRO 32 -11.626 -3.934 2.991 259 HG3 PRO 32 3HG PRO 32 -13.065 -4.969 3.168 260 HD2 PRO 32 2HD PRO 32 -10.727 -5.712 4.234 261 HD3 PRO 32 3HD PRO 32 -11.783 -6.921 3.469 262 H GLU 33 H GLU 33 -9.620 -3.597 2.095 263 HA GLU 33 HA GLU 33 -9.131 -1.971 -0.215 264 HB2 GLU 33 2HB GLU 33 -8.325 -1.615 2.695 265 HB3 GLU 33 3HB GLU 33 -8.104 -0.375 1.463 266 HG2 GLU 33 2HG GLU 33 -10.781 -1.550 2.299 267 HG3 GLU 33 3HG GLU 33 -10.124 -0.021 2.881 268 H ARG 34 H ARG 34 -7.067 -3.997 1.795 269 HA ARG 34 HA ARG 34 -4.537 -3.190 0.756 270 HB2 ARG 34 2HB ARG 34 -4.888 -4.378 2.925 271 HB3 ARG 34 3HB ARG 34 -5.364 -5.826 2.045 272 HG2 ARG 34 2HG ARG 34 -3.090 -5.987 1.087 273 HG3 ARG 34 3HG ARG 34 -2.617 -4.526 1.963 274 HD2 ARG 34 2HD ARG 34 -1.891 -6.620 3.105 275 HD3 ARG 34 3HD ARG 34 -2.970 -5.632 4.102 276 HE ARG 34 HE ARG 34 -4.048 -7.883 2.525 277 HH11 ARG 34 1HH1 ARG 34 -3.487 -6.466 5.640 278 HH12 ARG 34 2HH1 ARG 34 -4.527 -7.586 6.443 279 HH21 ARG 34 1HH2 ARG 34 -5.399 -9.268 3.568 280 HH22 ARG 34 2HH2 ARG 34 -5.597 -9.156 5.285 281 H ALA 35 H ALA 35 -6.761 -5.853 -0.016 282 HA ALA 35 HA ALA 35 -5.313 -7.039 -2.146 283 HB1 ALA 35 3HB ALA 35 -7.105 -8.216 -0.936 284 HB2 ALA 35 1HB ALA 35 -7.430 -8.191 -2.670 285 HB3 ALA 35 2HB ALA 35 -8.302 -7.096 -1.589 286 H HIS 36 H HIS 36 -7.696 -4.438 -2.010 287 HA HIS 36 HA HIS 36 -8.165 -4.113 -4.780 288 HB2 HIS 36 2HB HIS 36 -9.645 -3.198 -2.993 289 HB3 HIS 36 3HB HIS 36 -8.402 -2.029 -2.563 290 HD1 HIS 36 HD1 HIS 36 -10.838 -2.844 -5.332 291 HD2 HIS 36 HD2 HIS 36 -8.316 0.247 -4.180 292 HE1 HIS 36 HE1 HIS 36 -11.386 -0.926 -6.849 293 HE2 HIS 36 HE2 HIS 36 -9.993 0.977 -5.987 294 H LEU 37 H LEU 37 -5.950 -2.395 -2.535 295 HA LEU 37 HA LEU 37 -4.807 -0.645 -4.474 296 HB2 LEU 37 2HB LEU 37 -4.722 -0.266 -2.011 297 HB3 LEU 37 3HB LEU 37 -3.640 -1.640 -1.842 298 HG LEU 37 HG LEU 37 -1.933 -0.418 -3.233 299 HD11 LEU 37 1HD1 LEU 37 -3.413 1.057 -4.496 300 HD12 LEU 37 2HD1 LEU 37 -2.158 1.974 -3.669 301 HD13 LEU 37 3HD1 LEU 37 -3.807 1.958 -3.027 302 HD21 LEU 37 3HD2 LEU 37 -1.782 -0.380 -0.807 303 HD22 LEU 37 1HD2 LEU 37 -2.823 1.041 -0.728 304 HD23 LEU 37 2HD2 LEU 37 -1.229 1.146 -1.482 305 H ALA 38 H ALA 38 -3.940 -3.870 -3.309 306 HA ALA 38 HA ALA 38 -1.459 -4.199 -4.601 307 HB1 ALA 38 3HB ALA 38 -2.223 -5.626 -2.764 308 HB2 ALA 38 1HB ALA 38 -1.763 -6.595 -4.164 309 HB3 ALA 38 2HB ALA 38 -3.470 -6.321 -3.800 310 H LYS 39 H LYS 39 -4.740 -5.309 -5.726 311 HA LYS 39 HA LYS 39 -3.854 -6.451 -8.155 312 HB2 LYS 39 2HB LYS 39 -6.220 -6.430 -8.894 313 HB3 LYS 39 3HB LYS 39 -6.045 -7.048 -7.258 314 HG2 LYS 39 2HG LYS 39 -6.912 -5.006 -6.305 315 HG3 LYS 39 3HG LYS 39 -6.878 -4.196 -7.870 316 HD2 LYS 39 2HD LYS 39 -8.656 -6.577 -7.198 317 HD3 LYS 39 3HD LYS 39 -9.172 -4.889 -7.146 318 HE2 LYS 39 2HE LYS 39 -8.587 -4.700 -9.584 319 HE3 LYS 39 3HE LYS 39 -8.265 -6.435 -9.595 320 HZ1 LYS 39 3HZ LYS 39 -10.506 -5.841 -10.380 321 HZ2 LYS 39 1HZ LYS 39 -10.870 -5.216 -8.850 322 HZ3 LYS 39 2HZ LYS 39 -10.540 -6.861 -9.038 323 H ASN 40 H ASN 40 -4.990 -3.165 -7.449 324 HA ASN 40 HA ASN 40 -4.996 -2.017 -9.983 325 HB2 ASN 40 2HB ASN 40 -4.299 -0.815 -7.272 326 HB3 ASN 40 3HB ASN 40 -4.417 0.161 -8.734 327 HD21 ASN 40 1HD2 ASN 40 -6.121 1.337 -7.694 328 HD22 ASN 40 2HD2 ASN 40 -7.716 0.686 -7.607 329 H LEU 41 H LEU 41 -2.257 -2.497 -7.779 330 HA LEU 41 HA LEU 41 -0.357 -1.357 -9.761 331 HB2 LEU 41 2HB LEU 41 -0.064 -1.850 -6.772 332 HB3 LEU 41 3HB LEU 41 1.170 -1.130 -7.801 333 HG LEU 41 HG LEU 41 -1.576 0.094 -7.284 334 HD11 LEU 41 1HD1 LEU 41 1.091 0.900 -6.096 335 HD12 LEU 41 2HD1 LEU 41 -0.241 0.119 -5.239 336 HD13 LEU 41 3HD1 LEU 41 -0.447 1.744 -5.886 337 HD21 LEU 41 3HD2 LEU 41 0.838 1.272 -8.705 338 HD22 LEU 41 1HD2 LEU 41 -0.690 2.094 -8.379 339 HD23 LEU 41 2HD2 LEU 41 -0.654 0.717 -9.474 340 H LYS 42 H LYS 42 -1.556 -4.286 -9.322 341 HA LYS 42 HA LYS 42 -0.965 -6.436 -9.535 342 HB2 LYS 42 2HB LYS 42 1.212 -5.098 -11.168 343 HB3 LYS 42 3HB LYS 42 1.086 -6.848 -11.075 344 HG2 LYS 42 2HG LYS 42 0.018 -6.134 -13.091 345 HG3 LYS 42 3HG LYS 42 -1.226 -6.710 -11.989 346 HD2 LYS 42 2HD LYS 42 -1.838 -4.381 -11.445 347 HD3 LYS 42 3HD LYS 42 -0.544 -3.784 -12.487 348 HE2 LYS 42 2HE LYS 42 -1.660 -4.790 -14.444 349 HE3 LYS 42 3HE LYS 42 -2.958 -5.379 -13.403 350 HZ1 LYS 42 3HZ LYS 42 -3.664 -3.377 -14.433 351 HZ2 LYS 42 1HZ LYS 42 -2.268 -2.554 -13.974 352 HZ3 LYS 42 2HZ LYS 42 -3.387 -3.027 -12.805 353 H LEU 43 H LEU 43 0.198 -4.954 -7.199 354 HA LEU 43 HA LEU 43 2.478 -6.598 -6.378 355 HB2 LEU 43 2HB LEU 43 0.799 -4.537 -4.872 356 HB3 LEU 43 3HB LEU 43 2.236 -5.317 -4.221 357 HG LEU 43 HG LEU 43 2.215 -3.503 -6.665 358 HD11 LEU 43 1HD1 LEU 43 3.267 -1.802 -5.256 359 HD12 LEU 43 2HD1 LEU 43 3.072 -2.836 -3.839 360 HD13 LEU 43 3HD1 LEU 43 1.651 -2.213 -4.684 361 HD21 LEU 43 3HD2 LEU 43 4.554 -4.682 -5.121 362 HD22 LEU 43 1HD2 LEU 43 4.667 -3.514 -6.442 363 HD23 LEU 43 2HD2 LEU 43 4.035 -5.128 -6.750 364 H THR 44 H THR 44 2.155 -7.552 -4.011 365 HA THR 44 HA THR 44 -0.449 -8.974 -3.831 366 HB THR 44 HB THR 44 0.683 -10.694 -2.457 367 HG1 THR 44 HG1 THR 44 3.237 -9.760 -3.122 368 HG21 THR 44 3HG2 THR 44 2.125 -10.230 -5.094 369 HG22 THR 44 1HG2 THR 44 0.575 -11.055 -4.899 370 HG23 THR 44 2HG2 THR 44 2.040 -11.758 -4.215 371 H GLU 45 H GLU 45 -1.248 -9.369 -1.667 372 HA GLU 45 HA GLU 45 -1.557 -7.108 -0.071 373 HB2 GLU 45 2HB GLU 45 -1.937 -10.037 0.645 374 HB3 GLU 45 3HB GLU 45 -2.504 -8.701 1.648 375 HG2 GLU 45 2HG GLU 45 -3.941 -7.922 -0.218 376 HG3 GLU 45 3HG GLU 45 -3.393 -9.289 -1.194 377 H THR 46 H THR 46 0.811 -9.744 0.307 378 HA THR 46 HA THR 46 1.925 -9.006 2.782 379 HB THR 46 HB THR 46 3.369 -10.330 0.435 380 HG1 THR 46 HG1 THR 46 1.903 -11.825 0.830 381 HG21 THR 46 3HG2 THR 46 4.789 -11.371 2.183 382 HG22 THR 46 1HG2 THR 46 3.946 -10.455 3.425 383 HG23 THR 46 2HG2 THR 46 4.931 -9.611 2.226 384 H GLN 47 H GLN 47 2.937 -8.113 -0.538 385 HA GLN 47 HA GLN 47 5.161 -6.507 0.092 386 HB2 GLN 47 2HB GLN 47 3.290 -6.385 -2.310 387 HB3 GLN 47 3HB GLN 47 4.843 -5.557 -2.222 388 HG2 GLN 47 2HG GLN 47 6.035 -7.669 -2.141 389 HG3 GLN 47 3HG GLN 47 4.523 -8.571 -2.032 390 HE21 GLN 47 1HE2 GLN 47 6.613 -6.759 -4.165 391 HE22 GLN 47 2HE2 GLN 47 5.876 -7.273 -5.632 392 H VAL 48 H VAL 48 1.792 -5.560 -0.592 393 HA VAL 48 HA VAL 48 1.976 -2.786 -0.215 394 HB VAL 48 HB VAL 48 -0.386 -4.689 0.135 395 HG11 VAL 48 1HG1 VAL 48 -0.495 -1.648 -0.005 396 HG12 VAL 48 2HG1 VAL 48 -0.892 -2.644 1.395 397 HG13 VAL 48 3HG1 VAL 48 -1.892 -2.730 -0.053 398 HG21 VAL 48 3HG2 VAL 48 -1.052 -3.905 -2.113 399 HG22 VAL 48 1HG2 VAL 48 0.559 -4.622 -2.140 400 HG23 VAL 48 2HG2 VAL 48 0.376 -2.866 -2.189 401 H LYS 49 H LYS 49 1.019 -5.312 2.149 402 HA LYS 49 HA LYS 49 0.417 -3.626 4.332 403 HB2 LYS 49 2HB LYS 49 -0.307 -5.990 4.141 404 HB3 LYS 49 3HB LYS 49 1.356 -6.523 4.340 405 HG2 LYS 49 2HG LYS 49 1.355 -5.543 6.642 406 HG3 LYS 49 3HG LYS 49 -0.340 -5.095 6.423 407 HD2 LYS 49 2HD LYS 49 -0.165 -7.193 7.693 408 HD3 LYS 49 3HD LYS 49 -0.946 -7.477 6.134 409 HE2 LYS 49 2HE LYS 49 1.240 -8.298 5.233 410 HE3 LYS 49 3HE LYS 49 1.950 -8.081 6.836 411 HZ1 LYS 49 3HZ LYS 49 1.245 -10.381 6.356 412 HZ2 LYS 49 1HZ LYS 49 -0.357 -9.854 6.252 413 HZ3 LYS 49 2HZ LYS 49 0.476 -9.735 7.717 414 H ILE 50 H ILE 50 3.386 -5.474 3.610 415 HA ILE 50 HA ILE 50 4.979 -4.595 5.753 416 HB ILE 50 HB ILE 50 5.709 -5.681 3.000 417 HG12 ILE 50 2HG1 ILE 50 5.796 -6.910 5.806 418 HG13 ILE 50 3HG1 ILE 50 4.635 -7.285 4.536 419 HG21 ILE 50 1HG2 ILE 50 8.049 -5.964 3.778 420 HG22 ILE 50 2HG2 ILE 50 7.663 -5.078 5.256 421 HG23 ILE 50 3HG2 ILE 50 7.589 -4.263 3.696 422 HD11 ILE 50 3HD1 ILE 50 6.273 -9.035 4.737 423 HD12 ILE 50 1HD1 ILE 50 7.590 -7.890 4.484 424 HD13 ILE 50 2HD1 ILE 50 6.451 -8.231 3.177 425 H TRP 51 H TRP 51 4.480 -3.184 2.494 426 HA TRP 51 HA TRP 51 6.365 -1.114 2.617 427 HB2 TRP 51 2HB TRP 51 5.056 -1.734 0.559 428 HB3 TRP 51 3HB TRP 51 3.634 -0.978 1.263 429 HD1 TRP 51 HD1 TRP 51 7.031 -0.073 -0.303 430 HE1 TRP 51 HE1 TRP 51 7.014 2.406 -0.962 431 HE3 TRP 51 HE3 TRP 51 2.613 1.294 1.814 432 HZ2 TRP 51 HZ2 TRP 51 5.365 4.650 -0.619 433 HZ3 TRP 51 HZ3 TRP 51 1.881 3.626 1.622 434 HH2 TRP 51 HH2 TRP 51 3.233 5.274 0.430 435 H PHE 52 H PHE 52 2.857 -0.873 3.407 436 HA PHE 52 HA PHE 52 2.767 1.621 4.597 437 HB2 PHE 52 2HB PHE 52 1.139 -0.892 5.048 438 HB3 PHE 52 3HB PHE 52 0.841 0.513 6.065 439 HD1 PHE 52 HD1 PHE 52 1.257 -0.248 2.391 440 HD2 PHE 52 HD2 PHE 52 -0.878 1.954 5.361 441 HE1 PHE 52 HE1 PHE 52 -0.159 0.730 0.653 442 HE2 PHE 52 HE2 PHE 52 -2.293 2.927 3.613 443 HZ PHE 52 HZ PHE 52 -1.931 2.323 1.256 444 H GLN 53 H GLN 53 3.695 -1.446 6.166 445 HA GLN 53 HA GLN 53 4.069 -0.478 8.798 446 HB2 GLN 53 2HB GLN 53 3.981 -2.905 8.176 447 HB3 GLN 53 3HB GLN 53 5.561 -2.753 7.414 448 HG2 GLN 53 2HG GLN 53 6.486 -2.072 9.677 449 HG3 GLN 53 3HG GLN 53 4.918 -2.471 10.371 450 HE21 GLN 53 1HE2 GLN 53 4.576 -4.849 8.587 451 HE22 GLN 53 2HE2 GLN 53 5.649 -6.038 9.218 452 H ASN 54 H ASN 54 6.443 -0.809 6.109 453 HA ASN 54 HA ASN 54 8.700 0.151 7.533 454 HB2 ASN 54 2HB ASN 54 8.124 -0.231 4.588 455 HB3 ASN 54 3HB ASN 54 9.585 0.618 5.071 456 HD21 ASN 54 1HD2 ASN 54 8.062 -2.459 4.840 457 HD22 ASN 54 2HD2 ASN 54 9.386 -3.393 5.421 458 H ARG 55 H ARG 55 6.404 1.844 5.381 459 HA ARG 55 HA ARG 55 7.626 4.365 5.435 460 HB2 ARG 55 2HB ARG 55 4.656 3.793 5.187 461 HB3 ARG 55 3HB ARG 55 5.466 5.288 4.718 462 HG2 ARG 55 2HG ARG 55 5.725 2.562 3.440 463 HG3 ARG 55 3HG ARG 55 5.029 4.021 2.745 464 HD2 ARG 55 2HD ARG 55 7.963 3.616 3.426 465 HD3 ARG 55 3HD ARG 55 7.249 3.513 1.811 466 HE ARG 55 HE ARG 55 6.729 6.030 3.097 467 HH11 ARG 55 1HH1 ARG 55 9.073 4.305 1.219 468 HH12 ARG 55 2HH1 ARG 55 9.806 5.751 0.619 469 HH21 ARG 55 1HH2 ARG 55 7.710 7.873 2.339 470 HH22 ARG 55 2HH2 ARG 55 9.049 7.744 1.252 471 H ARG 56 H ARG 56 5.185 2.958 7.654 472 HA ARG 56 HA ARG 56 4.953 5.170 9.411 473 HB2 ARG 56 2HB ARG 56 4.577 2.185 9.858 474 HB3 ARG 56 3HB ARG 56 4.301 3.368 11.136 475 HG2 ARG 56 2HG ARG 56 2.583 4.468 9.681 476 HG3 ARG 56 3HG ARG 56 2.803 3.170 8.502 477 HD2 ARG 56 2HD ARG 56 0.841 2.808 10.004 478 HD3 ARG 56 3HD ARG 56 2.035 1.513 10.102 479 HE ARG 56 HE ARG 56 2.581 2.165 12.266 480 HH11 ARG 56 1HH1 ARG 56 0.313 4.460 10.984 481 HH12 ARG 56 2HH1 ARG 56 -0.046 5.112 12.540 482 HH21 ARG 56 1HH2 ARG 56 2.119 3.052 14.226 483 HH22 ARG 56 2HH2 ARG 56 0.949 4.319 14.347 484 H TYR 57 H TYR 57 7.219 2.441 9.332 485 HA TYR 57 HA TYR 57 8.723 3.032 11.642 486 HB2 TYR 57 2HB TYR 57 8.826 0.852 10.530 487 HB3 TYR 57 3HB TYR 57 9.496 1.584 9.081 488 HD1 TYR 57 HD1 TYR 57 10.269 1.087 12.738 489 HD2 TYR 57 HD2 TYR 57 11.851 1.581 8.790 490 HE1 TYR 57 HE1 TYR 57 12.532 0.602 13.574 491 HE2 TYR 57 HE2 TYR 57 14.102 1.106 9.630 492 HH TYR 57 HH TYR 57 14.693 -0.110 12.800 493 H LYS 58 H LYS 58 8.765 4.405 8.424 494 HA LYS 58 HA LYS 58 11.291 5.843 8.769 495 HB2 LYS 58 2HB LYS 58 9.265 5.777 6.499 496 HB3 LYS 58 3HB LYS 58 10.742 6.739 6.462 497 HG2 LYS 58 2HG LYS 58 12.104 4.715 6.602 498 HG3 LYS 58 3HG LYS 58 10.656 3.719 6.746 499 HD2 LYS 58 2HD LYS 58 9.968 4.376 4.457 500 HD3 LYS 58 3HD LYS 58 11.399 5.406 4.317 501 HE2 LYS 58 2HE LYS 58 11.403 2.382 4.655 502 HE3 LYS 58 3HE LYS 58 11.745 3.257 3.162 503 HZ1 LYS 58 3HZ LYS 58 13.771 2.549 4.278 504 HZ2 LYS 58 1HZ LYS 58 13.350 3.431 5.658 505 HZ3 LYS 58 2HZ LYS 58 13.684 4.234 4.208 506 H THR 59 H THR 59 7.877 6.473 9.300 507 HA THR 59 HA THR 59 8.041 9.369 9.047 508 HB THR 59 HB THR 59 5.731 9.417 10.024 509 HG1 THR 59 HG1 THR 59 6.327 7.063 10.982 510 HG21 THR 59 3HG2 THR 59 4.573 8.276 8.153 511 HG22 THR 59 1HG2 THR 59 6.070 7.467 7.726 512 HG23 THR 59 2HG2 THR 59 5.957 9.223 7.595 513 H LYS 60 H LYS 60 7.011 10.643 11.059 514 HA LYS 60 HA LYS 60 9.078 10.675 13.016 515 HB2 LYS 60 2HB LYS 60 6.433 12.185 13.061 516 HB3 LYS 60 3HB LYS 60 7.857 12.573 14.024 517 HG2 LYS 60 2HG LYS 60 7.668 12.711 10.995 518 HG3 LYS 60 3HG LYS 60 7.591 14.090 12.089 519 HD2 LYS 60 2HD LYS 60 10.025 12.268 12.007 520 HD3 LYS 60 3HD LYS 60 9.830 13.587 10.858 521 HE2 LYS 60 2HE LYS 60 11.237 14.339 12.673 522 HE3 LYS 60 3HE LYS 60 9.699 15.190 12.770 523 HZ1 LYS 60 3HZ LYS 60 10.438 12.828 14.418 524 HZ2 LYS 60 1HZ LYS 60 9.025 13.742 14.559 525 HZ3 LYS 60 2HZ LYS 60 10.519 14.434 14.937 526 H ARG 61 H ARG 61 5.733 9.441 13.135 527 HA ARG 61 HA ARG 61 6.289 8.239 15.788 528 HB2 ARG 61 2HB ARG 61 3.678 8.527 14.255 529 HB3 ARG 61 3HB ARG 61 3.840 7.606 15.750 530 HG2 ARG 61 2HG ARG 61 4.580 9.705 16.904 531 HG3 ARG 61 3HG ARG 61 4.263 10.594 15.410 532 HD2 ARG 61 2HD ARG 61 2.229 9.068 17.080 533 HD3 ARG 61 3HD ARG 61 2.363 10.825 16.925 534 HE ARG 61 HE ARG 61 1.966 10.235 14.402 535 HH11 ARG 61 1HH1 ARG 61 0.340 8.788 17.118 536 HH12 ARG 61 2HH1 ARG 61 -1.089 8.457 16.204 537 HH21 ARG 61 1HH2 ARG 61 0.123 9.787 13.283 538 HH22 ARG 61 2HH2 ARG 61 -1.219 9.033 14.074 539 H LYS 62 H LYS 62 7.099 6.289 15.773 540 HA LYS 62 HA LYS 62 6.430 4.277 13.742 541 HB2 LYS 62 2HB LYS 62 8.803 3.793 13.289 542 HB3 LYS 62 3HB LYS 62 8.393 5.430 12.811 543 HG2 LYS 62 2HG LYS 62 9.779 4.820 15.442 544 HG3 LYS 62 3HG LYS 62 10.668 5.039 13.934 545 HD2 LYS 62 2HD LYS 62 9.667 7.324 13.720 546 HD3 LYS 62 3HD LYS 62 8.882 7.104 15.286 547 HE2 LYS 62 2HE LYS 62 10.939 8.434 15.498 548 HE3 LYS 62 3HE LYS 62 11.092 6.906 16.365 549 HZ1 LYS 62 3HZ LYS 62 12.162 7.415 13.642 550 HZ2 LYS 62 1HZ LYS 62 12.387 6.016 14.558 551 HZ3 LYS 62 2HZ LYS 62 13.076 7.474 15.057 552 H GLN 63 H GLN 63 7.821 2.206 14.273 553 HA GLN 63 HA GLN 63 7.319 1.263 16.913 554 HB2 GLN 63 2HB GLN 63 9.064 0.169 14.675 555 HB3 GLN 63 3HB GLN 63 8.727 -0.707 16.166 556 HG2 GLN 63 2HG GLN 63 6.361 -0.834 15.628 557 HG3 GLN 63 3HG GLN 63 6.584 0.203 14.217 558 HE21 GLN 63 1HE2 GLN 63 5.522 -2.517 14.380 559 HE22 GLN 63 2HE2 GLN 63 6.493 -3.468 13.320 560 H LEU 64 H LEU 64 9.141 0.191 18.212 561 HA LEU 64 HA LEU 64 10.783 2.189 19.343 562 HB2 LEU 64 2HB LEU 64 9.888 0.289 20.614 563 HB3 LEU 64 3HB LEU 64 10.845 -0.835 19.666 564 HG LEU 64 HG LEU 64 12.931 0.061 20.662 565 HD11 LEU 64 1HD1 LEU 64 11.155 1.897 22.294 566 HD12 LEU 64 2HD1 LEU 64 12.298 2.371 21.037 567 HD13 LEU 64 3HD1 LEU 64 12.890 1.661 22.535 568 HD21 LEU 64 3HD2 LEU 64 10.904 -0.727 22.781 569 HD22 LEU 64 1HD2 LEU 64 12.663 -0.821 22.931 570 HD23 LEU 64 2HD2 LEU 64 11.824 -1.833 21.758 571 H SER 65 H SER 65 11.445 -0.030 16.748 572 HA SER 65 HA SER 65 13.208 -0.471 15.389 573 HB2 SER 65 2HB SER 65 13.422 2.031 15.221 574 HB3 SER 65 3HB SER 65 14.517 2.017 16.600 575 HG SER 65 HG SER 65 15.806 2.015 14.841 576 H SER 66 H SER 66 13.012 -1.773 17.884 577 HA SER 66 HA SER 66 15.610 -2.022 19.145 578 HB2 SER 66 2HB SER 66 14.509 -3.757 20.537 579 HB3 SER 66 3HB SER 66 13.551 -2.281 20.464 580 HG SER 66 HG SER 66 13.096 -4.689 19.018 581 H GLU 67 H GLU 67 14.876 -2.959 16.200 582 HA GLU 67 HA GLU 67 15.666 -5.715 16.103 583 HB2 GLU 67 2HB GLU 67 15.707 -3.680 13.834 584 HB3 GLU 67 3HB GLU 67 15.608 -5.436 13.689 585 HG2 GLU 67 2HG GLU 67 13.364 -5.383 14.733 586 HG3 GLU 67 3HG GLU 67 13.465 -3.630 14.871 587 H LEU 68 H LEU 68 17.653 -5.908 17.160 588 HA LEU 68 HA LEU 68 19.892 -4.116 16.565 589 HB2 LEU 68 2HB LEU 68 19.686 -6.413 18.556 590 HB3 LEU 68 3HB LEU 68 20.987 -5.232 18.481 591 HG LEU 68 HG LEU 68 18.089 -4.638 19.205 592 HD11 LEU 68 1HD1 LEU 68 18.898 -4.223 21.469 593 HD12 LEU 68 2HD1 LEU 68 20.536 -4.674 20.985 594 HD13 LEU 68 3HD1 LEU 68 19.246 -5.878 20.963 595 HD21 LEU 68 3HD2 LEU 68 19.090 -2.728 18.051 596 HD22 LEU 68 1HD2 LEU 68 20.464 -2.750 19.159 597 HD23 LEU 68 2HD2 LEU 68 18.847 -2.369 19.758 598 H GLY 69 H GLY 69 21.940 -4.785 15.835 599 HA2 GLY 69 2HA GLY 69 23.572 -6.348 15.097 600 HA3 GLY 69 3HA GLY 69 22.312 -7.535 14.806 Start of MODEL 15 1 H1 MET 1 1H MET 1 29.505 -20.391 -2.184 2 H2 MET 1 2H MET 1 28.628 -21.167 -0.967 3 H3 MET 1 3H MET 1 28.776 -19.484 -0.959 4 HA MET 1 HA MET 1 27.511 -19.298 -2.969 5 HB2 MET 1 2HB MET 1 28.205 -21.430 -3.999 6 HB3 MET 1 3HB MET 1 27.318 -22.340 -2.783 7 HG2 MET 1 2HG MET 1 25.193 -21.481 -3.649 8 HG3 MET 1 3HG MET 1 26.053 -20.481 -4.822 9 HE1 MET 1 3HE MET 1 24.356 -23.284 -7.037 10 HE2 MET 1 1HE MET 1 24.485 -21.548 -6.746 11 HE3 MET 1 2HE MET 1 23.683 -22.584 -5.564 12 H GLY 2 H GLY 2 25.450 -18.589 -2.555 13 HA2 GLY 2 2HA GLY 2 23.334 -19.733 -1.278 14 HA3 GLY 2 3HA GLY 2 24.271 -19.068 0.054 15 H HIS 3 H HIS 3 25.219 -16.727 -1.237 16 HA HIS 3 HA HIS 3 22.944 -15.012 -0.803 17 HB2 HIS 3 2HB HIS 3 25.214 -14.413 0.003 18 HB3 HIS 3 3HB HIS 3 25.778 -14.298 -1.660 19 HD1 HIS 3 HD1 HIS 3 25.587 -12.027 -2.716 20 HD2 HIS 3 HD2 HIS 3 23.118 -12.377 0.599 21 HE1 HIS 3 HE1 HIS 3 24.622 -9.745 -2.358 22 HE2 HIS 3 HE2 HIS 3 23.289 -9.943 -0.237 23 H HIS 4 H HIS 4 21.488 -14.615 -2.344 24 HA HIS 4 HA HIS 4 22.219 -14.407 -5.196 25 HB2 HIS 4 2HB HIS 4 19.498 -14.487 -3.816 26 HB3 HIS 4 3HB HIS 4 19.735 -14.362 -5.557 27 HD1 HIS 4 HD1 HIS 4 20.503 -16.496 -6.807 28 HD2 HIS 4 HD2 HIS 4 19.934 -17.059 -2.727 29 HE1 HIS 4 HE1 HIS 4 20.500 -18.977 -6.462 30 HE2 HIS 4 HE2 HIS 4 20.283 -19.286 -3.981 31 H HIS 5 H HIS 5 20.737 -12.603 -6.322 32 HA HIS 5 HA HIS 5 20.643 -10.080 -4.849 33 HB2 HIS 5 2HB HIS 5 22.093 -8.889 -6.504 34 HB3 HIS 5 3HB HIS 5 22.979 -10.094 -5.585 35 HD1 HIS 5 HD1 HIS 5 22.139 -9.111 -9.024 36 HD2 HIS 5 HD2 HIS 5 23.634 -12.477 -7.114 37 HE1 HIS 5 HE1 HIS 5 23.059 -10.562 -10.842 38 HE2 HIS 5 HE2 HIS 5 24.000 -12.565 -9.658 39 H HIS 6 H HIS 6 18.718 -9.232 -5.365 40 HA HIS 6 HA HIS 6 17.251 -10.015 -7.731 41 HB2 HIS 6 2HB HIS 6 16.547 -7.980 -5.578 42 HB3 HIS 6 3HB HIS 6 15.443 -8.587 -6.814 43 HD1 HIS 6 HD1 HIS 6 16.676 -9.301 -3.450 44 HD2 HIS 6 HD2 HIS 6 14.885 -11.461 -6.512 45 HE1 HIS 6 HE1 HIS 6 15.856 -11.416 -2.392 46 HE2 HIS 6 HE2 HIS 6 14.960 -12.783 -4.300 47 H HIS 7 H HIS 7 16.984 -8.882 -9.598 48 HA HIS 7 HA HIS 7 18.522 -6.476 -10.117 49 HB2 HIS 7 2HB HIS 7 16.613 -8.082 -11.867 50 HB3 HIS 7 3HB HIS 7 17.499 -6.670 -12.430 51 HD1 HIS 7 HD1 HIS 7 17.797 -10.279 -12.106 52 HD2 HIS 7 HD2 HIS 7 20.425 -7.078 -12.356 53 HE1 HIS 7 HE1 HIS 7 19.992 -11.265 -12.797 54 HE2 HIS 7 HE2 HIS 7 21.501 -9.290 -13.135 55 H HIS 8 H HIS 8 15.035 -7.239 -10.545 56 HA HIS 8 HA HIS 8 14.365 -4.383 -10.137 57 HB2 HIS 8 2HB HIS 8 12.655 -6.617 -11.314 58 HB3 HIS 8 3HB HIS 8 12.194 -4.921 -11.198 59 HD1 HIS 8 HD1 HIS 8 13.512 -7.250 -13.538 60 HD2 HIS 8 HD2 HIS 8 14.212 -3.236 -12.738 61 HE1 HIS 8 HE1 HIS 8 14.602 -6.338 -15.593 62 HE2 HIS 8 HE2 HIS 8 14.855 -3.880 -15.155 63 H SER 9 H SER 9 14.876 -4.835 -7.817 64 HA SER 9 HA SER 9 12.785 -6.172 -6.247 65 HB2 SER 9 2HB SER 9 15.100 -6.383 -5.451 66 HB3 SER 9 3HB SER 9 15.261 -4.628 -5.366 67 HG SER 9 HG SER 9 13.317 -6.083 -3.884 68 H HIS 10 H HIS 10 13.986 -2.899 -6.864 69 HA HIS 10 HA HIS 10 12.215 -1.496 -5.151 70 HB2 HIS 10 2HB HIS 10 14.300 -0.461 -5.842 71 HB3 HIS 10 3HB HIS 10 13.870 -0.595 -7.542 72 HD1 HIS 10 HD1 HIS 10 12.205 1.071 -4.515 73 HD2 HIS 10 HD2 HIS 10 13.220 1.875 -8.452 74 HE1 HIS 10 HE1 HIS 10 11.343 3.372 -4.971 75 HE2 HIS 10 HE2 HIS 10 11.832 3.773 -7.404 76 H MET 11 H MET 11 10.087 -1.163 -5.395 77 HA MET 11 HA MET 11 8.497 -1.674 -7.653 78 HB2 MET 11 2HB MET 11 7.978 0.230 -5.325 79 HB3 MET 11 3HB MET 11 6.750 -0.292 -6.475 80 HG2 MET 11 2HG MET 11 6.928 -2.582 -5.703 81 HG3 MET 11 3HG MET 11 8.284 -2.162 -4.651 82 HE1 MET 11 3HE MET 11 7.140 -3.180 -2.467 83 HE2 MET 11 1HE MET 11 5.807 -3.741 -3.482 84 HE3 MET 11 2HE MET 11 5.473 -2.839 -2.004 85 H SER 12 H SER 12 7.342 -0.153 -9.027 86 HA SER 12 HA SER 12 9.103 1.640 -10.398 87 HB2 SER 12 2HB SER 12 7.411 0.485 -11.693 88 HB3 SER 12 3HB SER 12 6.115 1.137 -10.694 89 HG SER 12 HG SER 12 7.219 2.191 -12.888 90 H HIS 13 H HIS 13 9.031 3.928 -10.556 91 HA HIS 13 HA HIS 13 8.674 5.361 -8.188 92 HB2 HIS 13 2HB HIS 13 10.150 5.976 -10.172 93 HB3 HIS 13 3HB HIS 13 8.716 6.586 -10.982 94 HD1 HIS 13 HD1 HIS 13 11.438 7.666 -8.918 95 HD2 HIS 13 HD2 HIS 13 7.471 8.829 -9.361 96 HE1 HIS 13 HE1 HIS 13 11.305 9.975 -7.968 97 HE2 HIS 13 HE2 HIS 13 8.892 10.626 -8.164 98 H THR 14 H THR 14 6.535 5.208 -11.051 99 HA THR 14 HA THR 14 4.496 6.971 -10.123 100 HB THR 14 HB THR 14 4.192 4.704 -12.156 101 HG1 THR 14 HG1 THR 14 4.610 6.551 -13.644 102 HG21 THR 14 3HG2 THR 14 2.667 7.325 -11.870 103 HG22 THR 14 1HG2 THR 14 2.031 5.723 -11.482 104 HG23 THR 14 2HG2 THR 14 2.438 6.131 -13.149 105 H GLN 15 H GLN 15 5.000 3.497 -9.792 106 HA GLN 15 HA GLN 15 2.506 2.693 -8.721 107 HB2 GLN 15 2HB GLN 15 4.218 1.202 -9.728 108 HB3 GLN 15 3HB GLN 15 5.290 1.512 -8.372 109 HG2 GLN 15 2HG GLN 15 3.761 0.341 -6.862 110 HG3 GLN 15 3HG GLN 15 2.615 0.097 -8.187 111 HE21 GLN 15 1HE2 GLN 15 2.716 -2.132 -8.131 112 HE22 GLN 15 2HE2 GLN 15 4.108 -3.037 -8.588 113 H VAL 16 H VAL 16 5.549 3.666 -7.140 114 HA VAL 16 HA VAL 16 4.844 3.418 -4.449 115 HB VAL 16 HB VAL 16 6.757 5.436 -5.722 116 HG11 VAL 16 1HG1 VAL 16 6.573 4.596 -2.794 117 HG12 VAL 16 2HG1 VAL 16 6.171 6.185 -3.450 118 HG13 VAL 16 3HG1 VAL 16 7.838 5.613 -3.489 119 HG21 VAL 16 3HG2 VAL 16 7.340 2.705 -4.488 120 HG22 VAL 16 1HG2 VAL 16 8.544 3.825 -5.133 121 HG23 VAL 16 2HG2 VAL 16 7.361 3.086 -6.211 122 H ILE 17 H ILE 17 4.264 6.120 -6.713 123 HA ILE 17 HA ILE 17 3.343 8.096 -4.963 124 HB ILE 17 HB ILE 17 2.405 7.556 -7.821 125 HG12 ILE 17 2HG1 ILE 17 4.576 9.448 -6.778 126 HG13 ILE 17 3HG1 ILE 17 4.861 7.930 -7.618 127 HG21 ILE 17 1HG2 ILE 17 2.091 10.109 -6.184 128 HG22 ILE 17 2HG2 ILE 17 0.788 9.024 -6.670 129 HG23 ILE 17 3HG2 ILE 17 1.678 9.930 -7.892 130 HD11 ILE 17 3HD1 ILE 17 3.568 10.392 -8.794 131 HD12 ILE 17 1HD1 ILE 17 3.825 8.863 -9.641 132 HD13 ILE 17 2HD1 ILE 17 5.206 9.811 -9.091 133 H GLU 18 H GLU 18 1.416 5.545 -6.608 134 HA GLU 18 HA GLU 18 -1.105 6.184 -5.489 135 HB2 GLU 18 2HB GLU 18 0.048 3.682 -6.735 136 HB3 GLU 18 3HB GLU 18 -1.569 3.646 -6.041 137 HG2 GLU 18 2HG GLU 18 -0.683 5.544 -8.229 138 HG3 GLU 18 3HG GLU 18 -1.528 4.021 -8.498 139 H LEU 19 H LEU 19 1.394 3.894 -4.387 140 HA LEU 19 HA LEU 19 0.113 2.802 -2.141 141 HB2 LEU 19 2HB LEU 19 3.037 3.404 -2.703 142 HB3 LEU 19 3HB LEU 19 2.522 2.541 -1.265 143 HG LEU 19 HG LEU 19 1.895 1.535 -4.064 144 HD11 LEU 19 1HD1 LEU 19 4.330 1.682 -3.865 145 HD12 LEU 19 2HD1 LEU 19 3.791 0.005 -3.882 146 HD13 LEU 19 3HD1 LEU 19 4.278 0.757 -2.360 147 HD21 LEU 19 3HD2 LEU 19 0.482 0.615 -2.278 148 HD22 LEU 19 1HD2 LEU 19 1.913 0.117 -1.373 149 HD23 LEU 19 2HD2 LEU 19 1.546 -0.624 -2.934 150 H GLU 20 H GLU 20 2.040 5.805 -2.435 151 HA GLU 20 HA GLU 20 1.906 6.623 0.278 152 HB2 GLU 20 2HB GLU 20 2.370 8.272 -2.234 153 HB3 GLU 20 3HB GLU 20 2.599 8.874 -0.592 154 HG2 GLU 20 2HG GLU 20 4.370 7.184 -0.236 155 HG3 GLU 20 3HG GLU 20 4.157 6.615 -1.891 156 H ARG 21 H ARG 21 -0.149 7.373 -2.540 157 HA ARG 21 HA ARG 21 -1.755 9.365 -1.323 158 HB2 ARG 21 2HB ARG 21 -2.392 7.480 -3.627 159 HB3 ARG 21 3HB ARG 21 -3.415 8.836 -3.153 160 HG2 ARG 21 2HG ARG 21 -1.540 10.399 -3.644 161 HG3 ARG 21 3HG ARG 21 -0.559 9.031 -4.174 162 HD2 ARG 21 2HD ARG 21 -1.499 10.119 -6.122 163 HD3 ARG 21 3HD ARG 21 -2.268 8.540 -5.937 164 HE ARG 21 HE ARG 21 -3.507 11.130 -5.202 165 HH11 ARG 21 1HH1 ARG 21 -3.917 7.847 -6.274 166 HH12 ARG 21 2HH1 ARG 21 -5.624 8.032 -6.458 167 HH21 ARG 21 1HH2 ARG 21 -5.664 11.307 -5.448 168 HH22 ARG 21 2HH2 ARG 21 -6.596 9.972 -6.014 169 H LYS 22 H LYS 22 -2.080 5.841 -1.471 170 HA LYS 22 HA LYS 22 -4.595 5.680 -0.111 171 HB2 LYS 22 2HB LYS 22 -3.581 3.909 -1.627 172 HB3 LYS 22 3HB LYS 22 -2.443 3.532 -0.340 173 HG2 LYS 22 2HG LYS 22 -4.241 1.909 -0.346 174 HG3 LYS 22 3HG LYS 22 -4.339 2.876 1.127 175 HD2 LYS 22 2HD LYS 22 -6.240 4.101 0.314 176 HD3 LYS 22 3HD LYS 22 -6.004 3.519 -1.337 177 HE2 LYS 22 2HE LYS 22 -6.813 1.781 1.020 178 HE3 LYS 22 3HE LYS 22 -7.915 2.413 -0.204 179 HZ1 LYS 22 3HZ LYS 22 -6.672 1.183 -1.886 180 HZ2 LYS 22 1HZ LYS 22 -7.305 0.151 -0.704 181 HZ3 LYS 22 2HZ LYS 22 -5.660 0.540 -0.695 182 H PHE 23 H PHE 23 -1.207 5.378 0.904 183 HA PHE 23 HA PHE 23 -1.550 4.729 3.616 184 HB2 PHE 23 2HB PHE 23 0.563 4.427 2.388 185 HB3 PHE 23 3HB PHE 23 0.743 6.169 2.224 186 HD1 PHE 23 HD2 PHE 23 0.424 3.525 4.881 187 HD2 PHE 23 HD1 PHE 23 2.101 7.294 3.797 188 HE1 PHE 23 HE2 PHE 23 1.706 3.544 6.964 189 HE2 PHE 23 HE1 PHE 23 3.383 7.314 5.886 190 HZ PHE 23 HZ PHE 23 3.192 5.442 7.476 191 H SER 24 H SER 24 -1.166 7.904 2.071 192 HA SER 24 HA SER 24 -0.966 9.463 4.423 193 HB2 SER 24 2HB SER 24 -1.325 11.411 2.906 194 HB3 SER 24 3HB SER 24 -0.125 10.285 2.272 195 HG SER 24 HG SER 24 -1.354 9.932 0.613 196 H HIS 25 H HIS 25 -3.756 8.323 2.564 197 HA HIS 25 HA HIS 25 -5.640 9.982 4.054 198 HB2 HIS 25 2HB HIS 25 -5.947 7.939 1.829 199 HB3 HIS 25 3HB HIS 25 -7.333 8.659 2.641 200 HD1 HIS 25 HD1 HIS 25 -8.301 10.394 1.168 201 HD2 HIS 25 HD2 HIS 25 -4.156 10.392 0.954 202 HE1 HIS 25 HE1 HIS 25 -7.705 12.250 -0.406 203 HE2 HIS 25 HE2 HIS 25 -5.201 12.235 -0.508 204 H GLN 26 H GLN 26 -4.479 6.632 4.051 205 HA GLN 26 HA GLN 26 -5.725 6.186 6.657 206 HB2 GLN 26 2HB GLN 26 -6.800 4.082 6.092 207 HB3 GLN 26 3HB GLN 26 -7.414 5.343 5.029 208 HG2 GLN 26 2HG GLN 26 -5.912 4.505 3.219 209 HG3 GLN 26 3HG GLN 26 -5.379 3.218 4.302 210 HE21 GLN 26 1HE2 GLN 26 -6.871 1.552 4.818 211 HE22 GLN 26 2HE2 GLN 26 -8.271 1.261 3.852 212 H LYS 27 H LYS 27 -4.280 5.354 7.961 213 HA LYS 27 HA LYS 27 -1.686 4.460 7.038 214 HB2 LYS 27 2HB LYS 27 -2.897 4.962 9.773 215 HB3 LYS 27 3HB LYS 27 -1.219 4.484 9.557 216 HG2 LYS 27 2HG LYS 27 -2.537 7.026 8.524 217 HG3 LYS 27 3HG LYS 27 -1.389 6.909 9.862 218 HD2 LYS 27 2HD LYS 27 0.419 6.329 8.370 219 HD3 LYS 27 3HD LYS 27 -0.682 6.106 7.009 220 HE2 LYS 27 2HE LYS 27 0.500 8.210 6.753 221 HE3 LYS 27 3HE LYS 27 -1.203 8.541 7.066 222 HZ1 LYS 27 3HZ LYS 27 -0.547 8.869 9.439 223 HZ2 LYS 27 1HZ LYS 27 0.058 10.022 8.360 224 HZ3 LYS 27 2HZ LYS 27 1.067 8.800 8.947 225 H TYR 28 H TYR 28 -4.571 2.916 8.175 226 HA TYR 28 HA TYR 28 -3.222 0.264 8.128 227 HB2 TYR 28 2HB TYR 28 -5.710 1.146 9.659 228 HB3 TYR 28 3HB TYR 28 -5.263 -0.544 9.450 229 HD1 TYR 28 HD2 TYR 28 -3.138 -1.414 10.494 230 HD2 TYR 28 HD1 TYR 28 -4.591 2.517 11.330 231 HE1 TYR 28 HE2 TYR 28 -1.721 -1.309 12.488 232 HE2 TYR 28 HE1 TYR 28 -3.174 2.617 13.315 233 HH TYR 28 HH TYR 28 -2.122 1.002 14.905 234 H LEU 29 H LEU 29 -3.807 -1.067 6.553 235 HA LEU 29 HA LEU 29 -6.225 -0.609 4.929 236 HB2 LEU 29 2HB LEU 29 -3.861 -2.489 4.552 237 HB3 LEU 29 3HB LEU 29 -5.228 -2.380 3.451 238 HG LEU 29 HG LEU 29 -3.271 -0.122 4.025 239 HD11 LEU 29 1HD1 LEU 29 -2.416 -0.517 1.772 240 HD12 LEU 29 2HD1 LEU 29 -3.492 -1.902 1.588 241 HD13 LEU 29 3HD1 LEU 29 -2.204 -1.938 2.792 242 HD21 LEU 29 3HD2 LEU 29 -5.530 -0.279 1.997 243 HD22 LEU 29 1HD2 LEU 29 -4.356 1.031 2.141 244 HD23 LEU 29 2HD2 LEU 29 -5.498 0.731 3.445 245 H SER 30 H SER 30 -8.000 -1.825 5.254 246 HA SER 30 HA SER 30 -8.042 -4.199 6.924 247 HB2 SER 30 2HB SER 30 -10.187 -2.995 5.115 248 HB3 SER 30 3HB SER 30 -10.447 -4.331 6.242 249 HG SER 30 HG SER 30 -9.544 -1.739 6.968 250 H ALA 31 H ALA 31 -9.030 -6.292 5.946 251 HA ALA 31 HA ALA 31 -7.286 -7.400 4.097 252 HB1 ALA 31 3HB ALA 31 -10.060 -8.417 4.776 253 HB2 ALA 31 1HB ALA 31 -8.589 -8.737 5.695 254 HB3 ALA 31 2HB ALA 31 -8.755 -9.361 4.054 255 HA PRO 32 HA PRO 32 -10.554 -6.685 0.455 256 HB2 PRO 32 2HB PRO 32 -12.101 -4.341 1.544 257 HB3 PRO 32 3HB PRO 32 -12.663 -5.724 0.578 258 HG2 PRO 32 2HG PRO 32 -13.258 -5.596 3.157 259 HG3 PRO 32 3HG PRO 32 -12.792 -7.148 2.418 260 HD2 PRO 32 2HD PRO 32 -11.101 -5.287 4.091 261 HD3 PRO 32 3HD PRO 32 -11.258 -7.055 4.180 262 H GLU 33 H GLU 33 -9.654 -3.774 2.413 263 HA GLU 33 HA GLU 33 -9.275 -1.948 0.309 264 HB2 GLU 33 2HB GLU 33 -8.014 -2.031 3.084 265 HB3 GLU 33 3HB GLU 33 -7.941 -0.634 2.011 266 HG2 GLU 33 2HG GLU 33 -10.463 -1.857 3.176 267 HG3 GLU 33 3HG GLU 33 -9.677 -0.375 3.729 268 H ARG 34 H ARG 34 -6.955 -4.029 1.962 269 HA ARG 34 HA ARG 34 -4.596 -3.124 0.657 270 HB2 ARG 34 2HB ARG 34 -4.743 -4.316 2.881 271 HB3 ARG 34 3HB ARG 34 -5.098 -5.807 2.014 272 HG2 ARG 34 2HG ARG 34 -2.873 -5.639 0.887 273 HG3 ARG 34 3HG ARG 34 -2.536 -4.178 1.825 274 HD2 ARG 34 2HD ARG 34 -1.478 -6.159 2.834 275 HD3 ARG 34 3HD ARG 34 -2.697 -5.465 3.914 276 HE ARG 34 HE ARG 34 -3.721 -7.540 2.213 277 HH11 ARG 34 1HH1 ARG 34 -2.255 -6.962 5.292 278 HH12 ARG 34 2HH1 ARG 34 -2.711 -8.518 5.891 279 HH21 ARG 34 1HH2 ARG 34 -4.291 -9.457 3.004 280 HH22 ARG 34 2HH2 ARG 34 -3.856 -9.906 4.617 281 H ALA 35 H ALA 35 -6.880 -5.770 0.045 282 HA ALA 35 HA ALA 35 -5.577 -7.039 -2.113 283 HB1 ALA 35 3HB ALA 35 -8.550 -6.870 -1.511 284 HB2 ALA 35 1HB ALA 35 -7.428 -8.069 -0.864 285 HB3 ALA 35 2HB ALA 35 -7.779 -8.035 -2.594 286 H HIS 36 H HIS 36 -8.037 -4.432 -2.059 287 HA HIS 36 HA HIS 36 -8.368 -4.025 -4.812 288 HB2 HIS 36 2HB HIS 36 -8.510 -1.908 -2.617 289 HB3 HIS 36 3HB HIS 36 -9.141 -1.721 -4.248 290 HD1 HIS 36 HD1 HIS 36 -10.609 -4.539 -4.363 291 HD2 HIS 36 HD2 HIS 36 -10.943 -1.748 -1.302 292 HE1 HIS 36 HE1 HIS 36 -12.792 -5.020 -3.241 293 HE2 HIS 36 HE2 HIS 36 -12.995 -3.304 -1.420 294 H LEU 37 H LEU 37 -6.103 -2.384 -2.539 295 HA LEU 37 HA LEU 37 -4.877 -0.688 -4.475 296 HB2 LEU 37 2HB LEU 37 -4.779 -0.270 -2.040 297 HB3 LEU 37 3HB LEU 37 -3.773 -1.696 -1.827 298 HG LEU 37 HG LEU 37 -1.989 -0.589 -3.241 299 HD11 LEU 37 1HD1 LEU 37 -2.094 1.826 -3.681 300 HD12 LEU 37 2HD1 LEU 37 -3.750 1.877 -3.072 301 HD13 LEU 37 3HD1 LEU 37 -3.373 0.957 -4.529 302 HD21 LEU 37 3HD2 LEU 37 -1.864 -0.528 -0.799 303 HD22 LEU 37 1HD2 LEU 37 -2.795 0.967 -0.768 304 HD23 LEU 37 2HD2 LEU 37 -1.193 0.935 -1.506 305 H ALA 38 H ALA 38 -4.003 -3.913 -3.263 306 HA ALA 38 HA ALA 38 -1.489 -4.217 -4.478 307 HB1 ALA 38 3HB ALA 38 -2.293 -5.678 -2.671 308 HB2 ALA 38 1HB ALA 38 -1.759 -6.625 -4.062 309 HB3 ALA 38 2HB ALA 38 -3.484 -6.390 -3.758 310 H LYS 39 H LYS 39 -4.733 -5.266 -5.693 311 HA LYS 39 HA LYS 39 -3.724 -6.420 -8.096 312 HB2 LYS 39 2HB LYS 39 -6.033 -6.624 -8.821 313 HB3 LYS 39 3HB LYS 39 -5.884 -7.100 -7.137 314 HG2 LYS 39 2HG LYS 39 -6.931 -5.059 -6.380 315 HG3 LYS 39 3HG LYS 39 -6.901 -4.376 -8.007 316 HD2 LYS 39 2HD LYS 39 -8.509 -6.821 -7.155 317 HD3 LYS 39 3HD LYS 39 -9.160 -5.195 -7.374 318 HE2 LYS 39 2HE LYS 39 -8.486 -5.280 -9.776 319 HE3 LYS 39 3HE LYS 39 -7.919 -6.933 -9.539 320 HZ1 LYS 39 3HZ LYS 39 -10.712 -5.998 -9.179 321 HZ2 LYS 39 1HZ LYS 39 -10.164 -7.581 -8.970 322 HZ3 LYS 39 2HZ LYS 39 -10.123 -6.871 -10.499 323 H ASN 40 H ASN 40 -4.983 -3.179 -7.363 324 HA ASN 40 HA ASN 40 -5.031 -2.125 -9.989 325 HB2 ASN 40 2HB ASN 40 -4.617 -0.685 -7.339 326 HB3 ASN 40 3HB ASN 40 -4.915 0.134 -8.872 327 HD21 ASN 40 1HD2 ASN 40 -6.505 0.299 -6.510 328 HD22 ASN 40 2HD2 ASN 40 -8.068 -0.310 -6.900 329 H LEU 41 H LEU 41 -2.379 -2.518 -7.705 330 HA LEU 41 HA LEU 41 -0.476 -1.211 -9.574 331 HB2 LEU 41 2HB LEU 41 -0.158 -1.958 -6.646 332 HB3 LEU 41 3HB LEU 41 1.062 -1.149 -7.624 333 HG LEU 41 HG LEU 41 -1.661 -0.007 -6.861 334 HD11 LEU 41 1HD1 LEU 41 -0.091 -0.032 -4.986 335 HD12 LEU 41 2HD1 LEU 41 -0.416 1.611 -5.531 336 HD13 LEU 41 3HD1 LEU 41 1.107 0.826 -5.960 337 HD21 LEU 41 3HD2 LEU 41 -0.945 2.060 -7.962 338 HD22 LEU 41 1HD2 LEU 41 -1.012 0.731 -9.115 339 HD23 LEU 41 2HD2 LEU 41 0.547 1.288 -8.497 340 H LYS 42 H LYS 42 -1.627 -4.232 -9.201 341 HA LYS 42 HA LYS 42 -0.960 -6.330 -9.713 342 HB2 LYS 42 2HB LYS 42 1.312 -4.857 -11.108 343 HB3 LYS 42 3HB LYS 42 0.930 -6.556 -11.364 344 HG2 LYS 42 2HG LYS 42 -0.972 -4.253 -11.933 345 HG3 LYS 42 3HG LYS 42 0.032 -5.052 -13.149 346 HD2 LYS 42 2HD LYS 42 -1.137 -7.173 -12.785 347 HD3 LYS 42 3HD LYS 42 -2.061 -6.476 -11.454 348 HE2 LYS 42 2HE LYS 42 -2.235 -5.539 -14.335 349 HE3 LYS 42 3HE LYS 42 -3.359 -6.669 -13.579 350 HZ1 LYS 42 3HZ LYS 42 -2.910 -3.836 -12.817 351 HZ2 LYS 42 1HZ LYS 42 -3.877 -4.913 -11.942 352 HZ3 LYS 42 2HZ LYS 42 -4.293 -4.497 -13.525 353 H LEU 43 H LEU 43 0.180 -4.985 -7.246 354 HA LEU 43 HA LEU 43 2.571 -6.548 -6.592 355 HB2 LEU 43 2HB LEU 43 0.913 -4.547 -5.009 356 HB3 LEU 43 3HB LEU 43 2.288 -5.398 -4.321 357 HG LEU 43 HG LEU 43 2.468 -3.529 -6.715 358 HD11 LEU 43 1HD1 LEU 43 3.492 -1.895 -5.198 359 HD12 LEU 43 2HD1 LEU 43 3.155 -2.947 -3.821 360 HD13 LEU 43 3HD1 LEU 43 1.824 -2.245 -4.746 361 HD21 LEU 43 3HD2 LEU 43 4.656 -4.801 -5.027 362 HD22 LEU 43 1HD2 LEU 43 4.899 -3.621 -6.320 363 HD23 LEU 43 2HD2 LEU 43 4.248 -5.213 -6.696 364 H THR 44 H THR 44 2.458 -7.568 -4.258 365 HA THR 44 HA THR 44 -0.011 -9.202 -3.972 366 HB THR 44 HB THR 44 1.283 -10.714 -2.532 367 HG1 THR 44 HG1 THR 44 3.793 -9.812 -2.952 368 HG21 THR 44 3HG2 THR 44 2.878 -11.646 -4.162 369 HG22 THR 44 1HG2 THR 44 2.824 -10.144 -5.090 370 HG23 THR 44 2HG2 THR 44 1.384 -11.156 -4.962 371 H GLU 45 H GLU 45 -1.024 -9.300 -1.933 372 HA GLU 45 HA GLU 45 -1.188 -6.996 -0.352 373 HB2 GLU 45 2HB GLU 45 -1.953 -9.867 0.282 374 HB3 GLU 45 3HB GLU 45 -2.352 -8.513 1.336 375 HG2 GLU 45 2HG GLU 45 -3.603 -7.466 -0.569 376 HG3 GLU 45 3HG GLU 45 -3.307 -8.932 -1.510 377 H THR 46 H THR 46 1.018 -9.725 -0.025 378 HA THR 46 HA THR 46 2.123 -9.215 2.510 379 HB THR 46 HB THR 46 3.554 -10.301 0.028 380 HG1 THR 46 HG1 THR 46 2.113 -11.840 0.325 381 HG21 THR 46 3HG2 THR 46 5.035 -11.452 1.649 382 HG22 THR 46 1HG2 THR 46 4.200 -10.666 2.987 383 HG23 THR 46 2HG2 THR 46 5.137 -9.702 1.842 384 H GLN 47 H GLN 47 3.360 -8.197 -0.712 385 HA GLN 47 HA GLN 47 5.464 -6.544 0.092 386 HB2 GLN 47 2HB GLN 47 3.708 -6.353 -2.385 387 HB3 GLN 47 3HB GLN 47 5.216 -5.465 -2.180 388 HG2 GLN 47 2HG GLN 47 6.481 -7.550 -2.119 389 HG3 GLN 47 3HG GLN 47 4.992 -8.491 -2.213 390 HE21 GLN 47 1HE2 GLN 47 7.157 -6.392 -3.980 391 HE22 GLN 47 2HE2 GLN 47 6.576 -6.795 -5.552 392 H VAL 48 H VAL 48 2.102 -5.650 -0.639 393 HA VAL 48 HA VAL 48 2.282 -2.872 -0.308 394 HB VAL 48 HB VAL 48 -0.123 -4.722 0.059 395 HG11 VAL 48 1HG1 VAL 48 -0.584 -2.557 1.124 396 HG12 VAL 48 2HG1 VAL 48 -1.536 -2.726 -0.349 397 HG13 VAL 48 3HG1 VAL 48 -0.095 -1.703 -0.340 398 HG21 VAL 48 3HG2 VAL 48 0.894 -4.867 -2.188 399 HG22 VAL 48 1HG2 VAL 48 0.781 -3.115 -2.374 400 HG23 VAL 48 2HG2 VAL 48 -0.686 -4.092 -2.271 401 H LYS 49 H LYS 49 1.382 -5.401 2.092 402 HA LYS 49 HA LYS 49 0.803 -3.610 4.231 403 HB2 LYS 49 2HB LYS 49 0.063 -6.044 4.077 404 HB3 LYS 49 3HB LYS 49 1.696 -6.511 4.529 405 HG2 LYS 49 2HG LYS 49 1.454 -5.315 6.685 406 HG3 LYS 49 3HG LYS 49 -0.168 -4.803 6.222 407 HD2 LYS 49 2HD LYS 49 -0.577 -6.626 7.641 408 HD3 LYS 49 3HD LYS 49 -0.711 -7.338 6.038 409 HE2 LYS 49 2HE LYS 49 1.672 -7.545 7.909 410 HE3 LYS 49 3HE LYS 49 0.518 -8.823 7.540 411 HZ1 LYS 49 3HZ LYS 49 2.577 -7.652 5.775 412 HZ2 LYS 49 1HZ LYS 49 1.299 -8.587 5.175 413 HZ3 LYS 49 2HZ LYS 49 2.397 -9.259 6.264 414 H ILE 50 H ILE 50 3.769 -5.393 3.342 415 HA ILE 50 HA ILE 50 5.444 -4.569 5.453 416 HB ILE 50 HB ILE 50 6.158 -5.326 2.579 417 HG12 ILE 50 2HG1 ILE 50 6.291 -6.974 5.159 418 HG13 ILE 50 3HG1 ILE 50 5.028 -7.107 3.941 419 HG21 ILE 50 1HG2 ILE 50 8.485 -5.709 3.381 420 HG22 ILE 50 2HG2 ILE 50 8.046 -5.051 4.961 421 HG23 ILE 50 3HG2 ILE 50 8.014 -4.015 3.535 422 HD11 ILE 50 3HD1 ILE 50 6.617 -8.905 3.737 423 HD12 ILE 50 1HD1 ILE 50 7.944 -7.759 3.546 424 HD13 ILE 50 2HD1 ILE 50 6.689 -7.873 2.309 425 H TRP 51 H TRP 51 4.736 -3.041 2.301 426 HA TRP 51 HA TRP 51 6.537 -0.901 2.374 427 HB2 TRP 51 2HB TRP 51 5.106 -1.595 0.391 428 HB3 TRP 51 3HB TRP 51 3.727 -0.832 1.170 429 HD1 TRP 51 HD1 TRP 51 6.823 -0.022 -0.860 430 HE1 TRP 51 HE1 TRP 51 6.843 2.464 -1.481 431 HE3 TRP 51 HE3 TRP 51 2.993 1.574 2.086 432 HZ2 TRP 51 HZ2 TRP 51 5.442 4.800 -0.800 433 HZ3 TRP 51 HZ3 TRP 51 2.402 3.948 2.063 434 HH2 TRP 51 HH2 TRP 51 3.599 5.535 0.652 435 H PHE 52 H PHE 52 3.065 -0.846 3.283 436 HA PHE 52 HA PHE 52 2.902 1.634 4.510 437 HB2 PHE 52 2HB PHE 52 1.351 -0.937 4.912 438 HB3 PHE 52 3HB PHE 52 1.011 0.445 5.949 439 HD1 PHE 52 HD1 PHE 52 1.623 -0.019 2.245 440 HD2 PHE 52 HD2 PHE 52 -0.915 1.614 5.280 441 HE1 PHE 52 HE1 PHE 52 0.182 0.954 0.517 442 HE2 PHE 52 HE2 PHE 52 -2.351 2.582 3.540 443 HZ PHE 52 HZ PHE 52 -1.805 2.258 1.159 444 H GLN 53 H GLN 53 3.731 -1.454 6.070 445 HA GLN 53 HA GLN 53 4.046 -0.628 8.725 446 HB2 GLN 53 2HB GLN 53 3.866 -2.970 8.077 447 HB3 GLN 53 3HB GLN 53 5.369 -2.893 7.169 448 HG2 GLN 53 2HG GLN 53 6.668 -2.715 9.200 449 HG3 GLN 53 3HG GLN 53 5.214 -2.511 10.177 450 HE21 GLN 53 1HE2 GLN 53 7.108 -4.826 8.343 451 HE22 GLN 53 2HE2 GLN 53 6.388 -6.237 9.025 452 H ASN 54 H ASN 54 6.462 -0.760 6.109 453 HA ASN 54 HA ASN 54 8.731 0.047 7.591 454 HB2 ASN 54 2HB ASN 54 8.137 0.205 4.618 455 HB3 ASN 54 3HB ASN 54 9.696 0.640 5.305 456 HD21 ASN 54 1HD2 ASN 54 9.107 -1.416 3.378 457 HD22 ASN 54 2HD2 ASN 54 9.631 -2.907 4.069 458 H ARG 55 H ARG 55 6.525 1.960 5.495 459 HA ARG 55 HA ARG 55 7.712 4.475 5.916 460 HB2 ARG 55 2HB ARG 55 5.007 3.580 4.964 461 HB3 ARG 55 3HB ARG 55 5.186 5.267 5.405 462 HG2 ARG 55 2HG ARG 55 5.483 5.139 3.064 463 HG3 ARG 55 3HG ARG 55 7.075 5.439 3.753 464 HD2 ARG 55 2HD ARG 55 6.155 2.651 3.018 465 HD3 ARG 55 3HD ARG 55 6.861 3.733 1.826 466 HE ARG 55 HE ARG 55 8.553 3.471 4.100 467 HH11 ARG 55 1HH1 ARG 55 7.576 1.842 1.211 468 HH12 ARG 55 2HH1 ARG 55 9.039 0.934 1.106 469 HH21 ARG 55 1HH2 ARG 55 10.434 2.307 3.912 470 HH22 ARG 55 2HH2 ARG 55 10.629 1.201 2.598 471 H ARG 56 H ARG 56 5.286 2.759 7.914 472 HA ARG 56 HA ARG 56 4.688 4.934 9.679 473 HB2 ARG 56 2HB ARG 56 4.517 1.929 10.171 474 HB3 ARG 56 3HB ARG 56 3.851 3.162 11.241 475 HG2 ARG 56 2HG ARG 56 2.352 3.891 9.359 476 HG3 ARG 56 3HG ARG 56 2.959 2.534 8.412 477 HD2 ARG 56 2HD ARG 56 0.846 1.896 9.409 478 HD3 ARG 56 3HD ARG 56 2.131 0.974 10.192 479 HE ARG 56 HE ARG 56 1.993 2.567 12.062 480 HH11 ARG 56 1HH1 ARG 56 -0.733 2.337 9.957 481 HH12 ARG 56 2HH1 ARG 56 -1.815 3.002 11.128 482 HH21 ARG 56 1HH2 ARG 56 0.582 3.402 13.535 483 HH22 ARG 56 2HH2 ARG 56 -1.089 3.579 13.130 484 H TYR 57 H TYR 57 7.035 2.283 9.745 485 HA TYR 57 HA TYR 57 8.207 2.891 12.283 486 HB2 TYR 57 2HB TYR 57 8.213 0.644 11.041 487 HB3 TYR 57 3HB TYR 57 9.462 1.306 9.995 488 HD1 TYR 57 HD1 TYR 57 8.689 0.493 13.572 489 HD2 TYR 57 HD2 TYR 57 11.773 1.207 10.697 490 HE1 TYR 57 HE1 TYR 57 10.373 -0.240 15.198 491 HE2 TYR 57 HE2 TYR 57 13.454 0.475 12.323 492 HH TYR 57 HH TYR 57 13.659 0.326 14.818 493 H LYS 58 H LYS 58 8.684 4.127 9.053 494 HA LYS 58 HA LYS 58 11.298 5.306 9.611 495 HB2 LYS 58 2HB LYS 58 9.554 5.208 7.144 496 HB3 LYS 58 3HB LYS 58 10.944 6.278 7.212 497 HG2 LYS 58 2HG LYS 58 11.251 3.309 7.719 498 HG3 LYS 58 3HG LYS 58 11.189 3.945 6.082 499 HD2 LYS 58 2HD LYS 58 13.504 3.740 6.604 500 HD3 LYS 58 3HD LYS 58 13.148 5.461 6.700 501 HE2 LYS 58 2HE LYS 58 14.616 4.785 8.534 502 HE3 LYS 58 3HE LYS 58 13.052 5.282 9.179 503 HZ1 LYS 58 3HZ LYS 58 14.021 2.499 8.805 504 HZ2 LYS 58 1HZ LYS 58 12.445 2.898 9.276 505 HZ3 LYS 58 2HZ LYS 58 13.754 3.297 10.269 506 H THR 59 H THR 59 7.974 6.321 9.807 507 HA THR 59 HA THR 59 8.746 9.183 9.791 508 HB THR 59 HB THR 59 6.729 8.676 8.458 509 HG1 THR 59 HG1 THR 59 5.419 10.297 9.423 510 HG21 THR 59 3HG2 THR 59 5.431 7.808 11.072 511 HG22 THR 59 1HG2 THR 59 5.806 6.751 9.713 512 HG23 THR 59 2HG2 THR 59 4.596 8.023 9.532 513 H LYS 60 H LYS 60 8.703 10.416 11.611 514 HA LYS 60 HA LYS 60 8.611 9.277 14.222 515 HB2 LYS 60 2HB LYS 60 8.590 12.174 13.283 516 HB3 LYS 60 3HB LYS 60 8.673 11.710 14.981 517 HG2 LYS 60 2HG LYS 60 10.800 10.567 14.607 518 HG3 LYS 60 3HG LYS 60 10.724 10.918 12.882 519 HD2 LYS 60 2HD LYS 60 10.691 13.196 14.878 520 HD3 LYS 60 3HD LYS 60 12.214 12.404 14.491 521 HE2 LYS 60 2HE LYS 60 11.959 14.388 13.105 522 HE3 LYS 60 3HE LYS 60 11.869 12.955 12.086 523 HZ1 LYS 60 3HZ LYS 60 9.514 14.465 13.060 524 HZ2 LYS 60 1HZ LYS 60 9.507 13.192 11.953 525 HZ3 LYS 60 2HZ LYS 60 10.217 14.669 11.542 526 H ARG 61 H ARG 61 6.176 10.629 12.128 527 HA ARG 61 HA ARG 61 4.129 11.070 14.086 528 HB2 ARG 61 2HB ARG 61 4.016 10.710 11.066 529 HB3 ARG 61 3HB ARG 61 2.600 11.080 12.053 530 HG2 ARG 61 2HG ARG 61 3.561 13.191 12.757 531 HG3 ARG 61 3HG ARG 61 5.083 12.820 11.949 532 HD2 ARG 61 2HD ARG 61 4.008 12.954 9.762 533 HD3 ARG 61 3HD ARG 61 2.427 13.171 10.522 534 HE ARG 61 HE ARG 61 3.038 15.343 11.173 535 HH11 ARG 61 1HH1 ARG 61 5.559 13.919 9.268 536 HH12 ARG 61 2HH1 ARG 61 6.303 15.445 8.958 537 HH21 ARG 61 1HH2 ARG 61 4.026 17.249 10.781 538 HH22 ARG 61 2HH2 ARG 61 5.455 17.303 9.811 539 H LYS 62 H LYS 62 4.207 9.196 15.349 540 HA LYS 62 HA LYS 62 3.276 6.636 14.272 541 HB2 LYS 62 2HB LYS 62 3.998 7.473 17.113 542 HB3 LYS 62 3HB LYS 62 3.590 5.834 16.619 543 HG2 LYS 62 2HG LYS 62 6.013 7.425 15.721 544 HG3 LYS 62 3HG LYS 62 6.000 6.101 16.888 545 HD2 LYS 62 2HD LYS 62 5.088 4.624 14.979 546 HD3 LYS 62 3HD LYS 62 5.496 5.958 13.892 547 HE2 LYS 62 2HE LYS 62 7.403 4.350 15.624 548 HE3 LYS 62 3HE LYS 62 7.323 4.376 13.863 549 HZ1 LYS 62 3HZ LYS 62 8.119 6.643 15.607 550 HZ2 LYS 62 1HZ LYS 62 8.017 6.693 13.922 551 HZ3 LYS 62 2HZ LYS 62 9.151 5.701 14.665 552 H GLN 63 H GLN 63 1.345 5.586 15.041 553 HA GLN 63 HA GLN 63 -0.755 7.376 16.125 554 HB2 GLN 63 2HB GLN 63 -0.959 4.770 14.573 555 HB3 GLN 63 3HB GLN 63 -2.349 5.572 15.304 556 HG2 GLN 63 2HG GLN 63 -1.865 7.590 13.905 557 HG3 GLN 63 3HG GLN 63 -0.565 6.693 13.116 558 HE21 GLN 63 1HE2 GLN 63 -3.058 7.852 12.030 559 HE22 GLN 63 2HE2 GLN 63 -3.863 6.547 11.238 560 H LEU 64 H LEU 64 1.429 5.766 17.611 561 HA LEU 64 HA LEU 64 -0.392 4.639 19.675 562 HB2 LEU 64 2HB LEU 64 1.046 2.935 18.418 563 HB3 LEU 64 3HB LEU 64 2.448 3.684 19.161 564 HG LEU 64 HG LEU 64 1.559 3.067 21.420 565 HD11 LEU 64 1HD1 LEU 64 -0.334 1.496 21.625 566 HD12 LEU 64 2HD1 LEU 64 -0.639 1.630 19.891 567 HD13 LEU 64 3HD1 LEU 64 -0.835 3.039 20.935 568 HD21 LEU 64 3HD2 LEU 64 2.004 0.644 21.269 569 HD22 LEU 64 1HD2 LEU 64 3.157 1.571 20.311 570 HD23 LEU 64 2HD2 LEU 64 1.839 0.711 19.512 571 H SER 65 H SER 65 2.920 5.957 19.224 572 HA SER 65 HA SER 65 2.452 7.935 21.349 573 HB2 SER 65 2HB SER 65 3.557 6.079 22.549 574 HB3 SER 65 3HB SER 65 4.871 6.071 21.374 575 HG SER 65 HG SER 65 5.714 7.792 22.286 576 H SER 66 H SER 66 2.650 9.720 20.089 577 HA SER 66 HA SER 66 5.122 10.119 18.478 578 HB2 SER 66 2HB SER 66 3.082 9.546 17.063 579 HB3 SER 66 3HB SER 66 2.343 11.044 17.624 580 HG SER 66 HG SER 66 3.321 11.660 15.815 581 H GLU 67 H GLU 67 4.710 12.726 17.646 582 HA GLU 67 HA GLU 67 5.123 14.872 18.226 583 HB2 GLU 67 2HB GLU 67 3.154 14.263 20.469 584 HB3 GLU 67 3HB GLU 67 3.710 15.883 20.055 585 HG2 GLU 67 2HG GLU 67 2.652 15.733 17.857 586 HG3 GLU 67 3HG GLU 67 2.197 14.057 18.153 587 H LEU 68 H LEU 68 6.933 12.909 19.098 588 HA LEU 68 HA LEU 68 7.784 13.313 21.810 589 HB2 LEU 68 2HB LEU 68 9.338 12.040 19.525 590 HB3 LEU 68 3HB LEU 68 9.612 11.802 21.245 591 HG LEU 68 HG LEU 68 7.185 10.831 19.666 592 HD11 LEU 68 1HD1 LEU 68 9.189 9.521 19.176 593 HD12 LEU 68 2HD1 LEU 68 8.007 8.569 20.072 594 HD13 LEU 68 3HD1 LEU 68 9.429 9.214 20.898 595 HD21 LEU 68 3HD2 LEU 68 6.494 11.425 21.933 596 HD22 LEU 68 1HD2 LEU 68 7.790 10.437 22.614 597 HD23 LEU 68 2HD2 LEU 68 6.469 9.676 21.720 598 H GLY 69 H GLY 69 9.518 14.540 22.583 599 HA2 GLY 69 2HA GLY 69 9.921 17.069 21.435 600 HA3 GLY 69 3HA GLY 69 10.819 16.409 22.785 Start of MODEL 16 1 H1 MET 1 1H MET 1 16.789 -10.903 21.136 2 H2 MET 1 2H MET 1 17.765 -10.563 19.798 3 H3 MET 1 3H MET 1 18.347 -11.562 21.028 4 HA MET 1 HA MET 1 17.747 -12.902 19.159 5 HB2 MET 1 2HB MET 1 15.699 -13.141 21.406 6 HB3 MET 1 3HB MET 1 16.119 -14.427 20.281 7 HG2 MET 1 2HG MET 1 18.390 -14.509 21.188 8 HG3 MET 1 3HG MET 1 18.025 -13.165 22.273 9 HE1 MET 1 3HE MET 1 14.984 -13.949 23.167 10 HE2 MET 1 1HE MET 1 16.222 -13.339 24.269 11 HE3 MET 1 2HE MET 1 15.345 -14.817 24.660 12 H GLY 2 H GLY 2 15.566 -13.993 18.232 13 HA2 GLY 2 2HA GLY 2 13.614 -13.798 16.999 14 HA3 GLY 2 3HA GLY 2 13.401 -12.167 17.609 15 H HIS 3 H HIS 3 14.594 -14.114 15.007 16 HA HIS 3 HA HIS 3 16.104 -12.100 13.625 17 HB2 HIS 3 2HB HIS 3 14.960 -14.757 12.665 18 HB3 HIS 3 3HB HIS 3 16.006 -13.730 11.691 19 HD1 HIS 3 HD1 HIS 3 18.487 -14.060 11.978 20 HD2 HIS 3 HD2 HIS 3 16.321 -15.840 15.047 21 HE1 HIS 3 HE1 HIS 3 20.156 -15.365 13.313 22 HE2 HIS 3 HE2 HIS 3 18.788 -16.592 15.024 23 H HIS 4 H HIS 4 14.748 -10.277 13.487 24 HA HIS 4 HA HIS 4 12.295 -10.454 11.860 25 HB2 HIS 4 2HB HIS 4 11.990 -8.030 12.533 26 HB3 HIS 4 3HB HIS 4 11.945 -9.196 13.846 27 HD1 HIS 4 HD1 HIS 4 14.270 -6.596 12.341 28 HD2 HIS 4 HD2 HIS 4 13.726 -8.689 15.877 29 HE1 HIS 4 HE1 HIS 4 15.834 -5.549 13.986 30 HE2 HIS 4 HE2 HIS 4 15.334 -6.705 16.157 31 H HIS 5 H HIS 5 12.467 -10.264 9.762 32 HA HIS 5 HA HIS 5 14.251 -8.239 8.532 33 HB2 HIS 5 2HB HIS 5 15.308 -10.370 8.074 34 HB3 HIS 5 3HB HIS 5 13.775 -11.107 7.625 35 HD1 HIS 5 HD1 HIS 5 12.972 -10.791 5.220 36 HD2 HIS 5 HD2 HIS 5 16.416 -8.627 6.042 37 HE1 HIS 5 HE1 HIS 5 13.765 -9.927 3.016 38 HE2 HIS 5 HE2 HIS 5 15.925 -8.749 3.514 39 H HIS 6 H HIS 6 12.849 -6.697 7.844 40 HA HIS 6 HA HIS 6 10.266 -7.308 6.662 41 HB2 HIS 6 2HB HIS 6 11.827 -4.690 6.764 42 HB3 HIS 6 3HB HIS 6 10.159 -4.854 6.234 43 HD1 HIS 6 HD1 HIS 6 11.204 -3.077 8.650 44 HD2 HIS 6 HD2 HIS 6 9.336 -6.768 8.965 45 HE1 HIS 6 HE1 HIS 6 10.144 -3.096 10.913 46 HE2 HIS 6 HE2 HIS 6 9.001 -5.334 11.081 47 H HIS 7 H HIS 7 10.076 -8.028 4.586 48 HA HIS 7 HA HIS 7 12.279 -8.130 2.780 49 HB2 HIS 7 2HB HIS 7 10.545 -9.884 2.800 50 HB3 HIS 7 3HB HIS 7 9.341 -8.723 2.247 51 HD1 HIS 7 HD1 HIS 7 9.474 -7.972 -0.259 52 HD2 HIS 7 HD2 HIS 7 12.266 -10.863 0.796 53 HE1 HIS 7 HE1 HIS 7 10.440 -8.796 -2.415 54 HE2 HIS 7 HE2 HIS 7 12.180 -10.484 -1.753 55 H HIS 8 H HIS 8 13.017 -6.455 1.642 56 HA HIS 8 HA HIS 8 11.588 -4.058 1.086 57 HB2 HIS 8 2HB HIS 8 14.183 -5.025 -0.207 58 HB3 HIS 8 3HB HIS 8 13.573 -3.371 -0.187 59 HD1 HIS 8 HD1 HIS 8 13.682 -2.102 2.126 60 HD2 HIS 8 HD2 HIS 8 15.579 -5.792 2.050 61 HE1 HIS 8 HE1 HIS 8 15.112 -2.175 4.178 62 HE2 HIS 8 HE2 HIS 8 16.102 -4.476 4.198 63 H SER 9 H SER 9 9.732 -4.553 -0.053 64 HA SER 9 HA SER 9 9.637 -6.005 -2.502 65 HB2 SER 9 2HB SER 9 7.626 -5.683 -1.106 66 HB3 SER 9 3HB SER 9 7.671 -3.944 -1.411 67 HG SER 9 HG SER 9 7.574 -5.807 -3.534 68 H HIS 10 H HIS 10 10.856 -5.301 -4.195 69 HA HIS 10 HA HIS 10 11.573 -2.632 -4.784 70 HB2 HIS 10 2HB HIS 10 11.477 -4.982 -6.723 71 HB3 HIS 10 3HB HIS 10 12.390 -3.490 -6.939 72 HD1 HIS 10 HD1 HIS 10 12.495 -6.796 -5.273 73 HD2 HIS 10 HD2 HIS 10 14.721 -3.286 -5.265 74 HE1 HIS 10 HE1 HIS 10 14.648 -7.364 -4.134 75 HE2 HIS 10 HE2 HIS 10 16.054 -5.294 -4.343 76 H MET 11 H MET 11 10.657 -1.095 -6.111 77 HA MET 11 HA MET 11 8.050 -1.513 -7.350 78 HB2 MET 11 2HB MET 11 8.330 0.269 -4.884 79 HB3 MET 11 3HB MET 11 6.954 0.320 -5.969 80 HG2 MET 11 2HG MET 11 6.291 -1.915 -5.331 81 HG3 MET 11 3HG MET 11 7.763 -2.129 -4.380 82 HE1 MET 11 3HE MET 11 4.887 -1.884 -1.649 83 HE2 MET 11 1HE MET 11 6.226 -2.875 -2.228 84 HE3 MET 11 2HE MET 11 4.794 -2.652 -3.232 85 H SER 12 H SER 12 7.364 0.319 -8.591 86 HA SER 12 HA SER 12 9.584 1.948 -9.611 87 HB2 SER 12 2HB SER 12 8.006 0.821 -11.203 88 HB3 SER 12 3HB SER 12 6.694 1.816 -10.570 89 HG SER 12 HG SER 12 7.789 2.579 -12.534 90 H HIS 13 H HIS 13 9.360 4.345 -9.819 91 HA HIS 13 HA HIS 13 8.820 5.506 -7.319 92 HB2 HIS 13 2HB HIS 13 10.449 6.446 -8.946 93 HB3 HIS 13 3HB HIS 13 9.119 6.964 -9.976 94 HD1 HIS 13 HD1 HIS 13 10.720 7.721 -6.640 95 HD2 HIS 13 HD2 HIS 13 7.866 9.348 -9.186 96 HE1 HIS 13 HE1 HIS 13 10.241 10.011 -5.747 97 HE2 HIS 13 HE2 HIS 13 8.655 11.036 -7.401 98 H THR 14 H THR 14 6.858 5.568 -10.307 99 HA THR 14 HA THR 14 4.785 7.278 -9.442 100 HB THR 14 HB THR 14 4.614 4.981 -11.451 101 HG1 THR 14 HG1 THR 14 4.777 7.000 -12.885 102 HG21 THR 14 3HG2 THR 14 2.711 6.228 -12.428 103 HG22 THR 14 1HG2 THR 14 2.828 7.428 -11.145 104 HG23 THR 14 2HG2 THR 14 2.365 5.765 -10.759 105 H GLN 15 H GLN 15 5.245 3.789 -9.143 106 HA GLN 15 HA GLN 15 2.692 3.050 -8.152 107 HB2 GLN 15 2HB GLN 15 4.289 1.478 -9.182 108 HB3 GLN 15 3HB GLN 15 5.412 1.722 -7.852 109 HG2 GLN 15 2HG GLN 15 3.858 0.640 -6.301 110 HG3 GLN 15 3HG GLN 15 2.663 0.461 -7.595 111 HE21 GLN 15 1HE2 GLN 15 2.641 -1.796 -7.532 112 HE22 GLN 15 2HE2 GLN 15 3.984 -2.758 -8.015 113 H VAL 16 H VAL 16 5.767 3.849 -6.502 114 HA VAL 16 HA VAL 16 4.900 3.546 -3.833 115 HB VAL 16 HB VAL 16 7.049 5.452 -4.887 116 HG11 VAL 16 1HG1 VAL 16 6.423 6.062 -2.593 117 HG12 VAL 16 2HG1 VAL 16 8.034 5.346 -2.607 118 HG13 VAL 16 3HG1 VAL 16 6.651 4.395 -2.055 119 HG21 VAL 16 3HG2 VAL 16 8.662 3.650 -4.372 120 HG22 VAL 16 1HG2 VAL 16 7.471 3.118 -5.559 121 HG23 VAL 16 2HG2 VAL 16 7.338 2.590 -3.883 122 H ILE 17 H ILE 17 4.744 6.372 -6.044 123 HA ILE 17 HA ILE 17 3.605 8.258 -4.296 124 HB ILE 17 HB ILE 17 3.102 7.957 -7.294 125 HG12 ILE 17 2HG1 ILE 17 5.083 9.770 -5.827 126 HG13 ILE 17 3HG1 ILE 17 5.502 8.302 -6.696 127 HG21 ILE 17 1HG2 ILE 17 2.393 10.332 -7.276 128 HG22 ILE 17 2HG2 ILE 17 2.552 10.364 -5.520 129 HG23 ILE 17 3HG2 ILE 17 1.338 9.332 -6.274 130 HD11 ILE 17 3HD1 ILE 17 6.032 10.265 -7.998 131 HD12 ILE 17 1HD1 ILE 17 4.357 10.810 -7.923 132 HD13 ILE 17 2HD1 ILE 17 4.768 9.329 -8.794 133 H GLU 18 H GLU 18 1.971 5.826 -6.382 134 HA GLU 18 HA GLU 18 -0.703 6.442 -5.773 135 HB2 GLU 18 2HB GLU 18 0.452 3.710 -6.467 136 HB3 GLU 18 3HB GLU 18 -1.244 4.166 -6.595 137 HG2 GLU 18 2HG GLU 18 1.043 5.309 -8.226 138 HG3 GLU 18 3HG GLU 18 -0.139 4.131 -8.783 139 H LEU 19 H LEU 19 1.519 4.136 -4.237 140 HA LEU 19 HA LEU 19 -0.135 3.141 -2.184 141 HB2 LEU 19 2HB LEU 19 2.867 3.529 -2.383 142 HB3 LEU 19 3HB LEU 19 2.118 2.701 -1.030 143 HG LEU 19 HG LEU 19 1.711 1.728 -3.874 144 HD11 LEU 19 1HD1 LEU 19 3.976 0.907 -2.038 145 HD12 LEU 19 2HD1 LEU 19 4.127 1.837 -3.529 146 HD13 LEU 19 3HD1 LEU 19 3.568 0.170 -3.591 147 HD21 LEU 19 3HD2 LEU 19 0.187 0.839 -2.165 148 HD22 LEU 19 1HD2 LEU 19 1.563 0.294 -1.199 149 HD23 LEU 19 2HD2 LEU 19 1.250 -0.417 -2.786 150 H GLU 20 H GLU 20 1.883 6.077 -2.357 151 HA GLU 20 HA GLU 20 1.572 6.844 0.392 152 HB2 GLU 20 2HB GLU 20 2.637 8.342 -2.024 153 HB3 GLU 20 3HB GLU 20 2.557 9.071 -0.423 154 HG2 GLU 20 2HG GLU 20 4.010 7.239 0.442 155 HG3 GLU 20 3HG GLU 20 4.157 6.609 -1.194 156 H ARG 21 H ARG 21 -0.165 7.614 -2.585 157 HA ARG 21 HA ARG 21 -1.870 9.641 -1.637 158 HB2 ARG 21 2HB ARG 21 -2.457 7.460 -3.689 159 HB3 ARG 21 3HB ARG 21 -3.450 8.897 -3.446 160 HG2 ARG 21 2HG ARG 21 -1.556 10.319 -4.147 161 HG3 ARG 21 3HG ARG 21 -0.560 8.885 -4.366 162 HD2 ARG 21 2HD ARG 21 -2.257 8.094 -6.088 163 HD3 ARG 21 3HD ARG 21 -3.008 9.689 -5.979 164 HE ARG 21 HE ARG 21 -0.414 9.009 -7.162 165 HH11 ARG 21 1HH1 ARG 21 -2.655 11.545 -6.389 166 HH12 ARG 21 2HH1 ARG 21 -1.881 12.684 -7.433 167 HH21 ARG 21 1HH2 ARG 21 0.557 10.491 -8.463 168 HH22 ARG 21 2HH2 ARG 21 -0.084 12.091 -8.608 169 H LYS 22 H LYS 22 -2.099 6.108 -1.526 170 HA LYS 22 HA LYS 22 -4.587 5.899 -0.161 171 HB2 LYS 22 2HB LYS 22 -3.454 4.072 -1.511 172 HB3 LYS 22 3HB LYS 22 -2.302 3.879 -0.195 173 HG2 LYS 22 2HG LYS 22 -4.005 2.163 -0.019 174 HG3 LYS 22 3HG LYS 22 -4.178 3.284 1.334 175 HD2 LYS 22 2HD LYS 22 -6.379 2.758 0.455 176 HD3 LYS 22 3HD LYS 22 -6.013 4.447 0.105 177 HE2 LYS 22 2HE LYS 22 -5.191 3.535 -2.217 178 HE3 LYS 22 3HE LYS 22 -6.123 2.097 -1.788 179 HZ1 LYS 22 3HZ LYS 22 -7.456 3.608 -3.069 180 HZ2 LYS 22 1HZ LYS 22 -7.164 4.870 -1.981 181 HZ3 LYS 22 2HZ LYS 22 -8.063 3.528 -1.498 182 H PHE 23 H PHE 23 -1.220 5.877 0.913 183 HA PHE 23 HA PHE 23 -1.498 5.396 3.653 184 HB2 PHE 23 2HB PHE 23 0.633 5.365 2.278 185 HB3 PHE 23 3HB PHE 23 0.612 7.120 2.287 186 HD1 PHE 23 HD2 PHE 23 1.007 4.106 4.425 187 HD2 PHE 23 HD1 PHE 23 1.460 8.359 4.199 188 HE1 PHE 23 HE2 PHE 23 2.331 4.078 6.492 189 HE2 PHE 23 HE1 PHE 23 2.784 8.319 6.268 190 HZ PHE 23 HZ PHE 23 3.225 6.184 7.416 191 H SER 24 H SER 24 -1.808 8.380 1.790 192 HA SER 24 HA SER 24 -1.958 10.254 3.886 193 HB2 SER 24 2HB SER 24 -3.247 10.340 1.134 194 HB3 SER 24 3HB SER 24 -3.099 11.723 2.219 195 HG SER 24 HG SER 24 -0.736 10.371 1.714 196 H HIS 25 H HIS 25 -4.542 8.150 2.481 197 HA HIS 25 HA HIS 25 -6.647 9.381 4.040 198 HB2 HIS 25 2HB HIS 25 -6.590 6.766 2.473 199 HB3 HIS 25 3HB HIS 25 -8.032 7.442 3.226 200 HD1 HIS 25 HD1 HIS 25 -9.178 9.410 2.014 201 HD2 HIS 25 HD2 HIS 25 -5.745 8.075 0.120 202 HE1 HIS 25 HE1 HIS 25 -9.202 10.481 -0.247 203 HE2 HIS 25 HE2 HIS 25 -7.000 9.837 -1.268 204 H GLN 26 H GLN 26 -4.821 6.308 4.223 205 HA GLN 26 HA GLN 26 -5.005 6.251 7.111 206 HB2 GLN 26 2HB GLN 26 -6.046 3.986 7.255 207 HB3 GLN 26 3HB GLN 26 -7.140 5.227 6.651 208 HG2 GLN 26 2HG GLN 26 -6.764 4.411 4.334 209 HG3 GLN 26 3HG GLN 26 -5.709 3.145 4.974 210 HE21 GLN 26 1HE2 GLN 26 -6.642 1.414 6.077 211 HE22 GLN 26 2HE2 GLN 26 -8.329 1.081 6.045 212 H LYS 27 H LYS 27 -3.583 4.841 8.110 213 HA LYS 27 HA LYS 27 -1.132 4.511 6.615 214 HB2 LYS 27 2HB LYS 27 -1.679 3.992 9.558 215 HB3 LYS 27 3HB LYS 27 -0.113 4.270 8.813 216 HG2 LYS 27 2HG LYS 27 -2.361 6.268 9.199 217 HG3 LYS 27 3HG LYS 27 -0.770 6.286 9.963 218 HD2 LYS 27 2HD LYS 27 0.303 6.867 7.861 219 HD3 LYS 27 3HD LYS 27 -1.194 6.608 6.963 220 HE2 LYS 27 2HE LYS 27 -2.230 8.507 8.197 221 HE3 LYS 27 3HE LYS 27 -0.684 8.803 8.995 222 HZ1 LYS 27 3HZ LYS 27 0.307 9.233 6.840 223 HZ2 LYS 27 1HZ LYS 27 -1.017 10.258 7.085 224 HZ3 LYS 27 2HZ LYS 27 -1.160 8.918 6.065 225 H TYR 28 H TYR 28 -3.570 2.370 7.829 226 HA TYR 28 HA TYR 28 -2.117 0.039 6.739 227 HB2 TYR 28 2HB TYR 28 -3.642 -0.026 9.386 228 HB3 TYR 28 3HB TYR 28 -2.862 -1.396 8.603 229 HD1 TYR 28 HD2 TYR 28 -0.229 -1.161 8.254 230 HD2 TYR 28 HD1 TYR 28 -2.475 1.134 11.071 231 HE1 TYR 28 HE2 TYR 28 1.805 -0.783 9.574 232 HE2 TYR 28 HE1 TYR 28 -0.455 1.481 12.399 233 HH TYR 28 HH TYR 28 1.740 0.303 12.730 234 H LEU 29 H LEU 29 -3.425 -1.082 5.360 235 HA LEU 29 HA LEU 29 -6.226 -0.302 5.069 236 HB2 LEU 29 2HB LEU 29 -4.409 -2.106 3.441 237 HB3 LEU 29 3HB LEU 29 -6.100 -1.843 3.035 238 HG LEU 29 HG LEU 29 -4.008 0.365 3.162 239 HD11 LEU 29 1HD1 LEU 29 -4.071 0.379 0.717 240 HD12 LEU 29 2HD1 LEU 29 -5.150 -1.018 0.721 241 HD13 LEU 29 3HD1 LEU 29 -3.503 -1.172 1.334 242 HD21 LEU 29 3HD2 LEU 29 -5.718 1.745 2.070 243 HD22 LEU 29 1HD2 LEU 29 -6.282 1.161 3.633 244 HD23 LEU 29 2HD2 LEU 29 -6.871 0.412 2.145 245 H SER 30 H SER 30 -7.977 -1.754 4.905 246 HA SER 30 HA SER 30 -8.002 -4.068 6.648 247 HB2 SER 30 2HB SER 30 -10.128 -2.930 4.776 248 HB3 SER 30 3HB SER 30 -10.404 -4.222 5.943 249 HG SER 30 HG SER 30 -10.811 -1.796 6.448 250 H ALA 31 H ALA 31 -8.775 -6.233 5.840 251 HA ALA 31 HA ALA 31 -7.106 -7.299 3.911 252 HB1 ALA 31 3HB ALA 31 -8.162 -8.624 5.677 253 HB2 ALA 31 1HB ALA 31 -8.402 -9.363 4.100 254 HB3 ALA 31 2HB ALA 31 -9.726 -8.483 4.871 255 HA PRO 32 HA PRO 32 -10.739 -6.983 0.505 256 HB2 PRO 32 2HB PRO 32 -12.049 -4.500 1.615 257 HB3 PRO 32 3HB PRO 32 -12.770 -5.859 0.722 258 HG2 PRO 32 2HG PRO 32 -13.156 -5.672 3.334 259 HG3 PRO 32 3HG PRO 32 -12.810 -7.255 2.593 260 HD2 PRO 32 2HD PRO 32 -10.950 -5.455 4.132 261 HD3 PRO 32 3HD PRO 32 -11.130 -7.223 4.206 262 H GLU 33 H GLU 33 -9.857 -3.796 2.006 263 HA GLU 33 HA GLU 33 -9.412 -2.567 -0.556 264 HB2 GLU 33 2HB GLU 33 -8.935 -1.530 2.255 265 HB3 GLU 33 3HB GLU 33 -8.684 -0.554 0.810 266 HG2 GLU 33 2HG GLU 33 -11.305 -1.773 1.731 267 HG3 GLU 33 3HG GLU 33 -10.857 -0.072 1.817 268 H ARG 34 H ARG 34 -7.312 -4.255 1.605 269 HA ARG 34 HA ARG 34 -4.796 -3.214 0.662 270 HB2 ARG 34 2HB ARG 34 -5.113 -4.303 2.883 271 HB3 ARG 34 3HB ARG 34 -5.461 -5.828 2.081 272 HG2 ARG 34 2HG ARG 34 -3.151 -5.894 1.208 273 HG3 ARG 34 3HG ARG 34 -2.806 -4.353 2.001 274 HD2 ARG 34 2HD ARG 34 -1.974 -6.296 3.314 275 HD3 ARG 34 3HD ARG 34 -3.182 -5.356 4.199 276 HE ARG 34 HE ARG 34 -3.913 -7.814 2.733 277 HH11 ARG 34 1HH1 ARG 34 -3.995 -5.985 5.682 278 HH12 ARG 34 2HH1 ARG 34 -4.972 -7.155 6.498 279 HH21 ARG 34 1HH2 ARG 34 -5.179 -9.268 3.783 280 HH22 ARG 34 2HH2 ARG 34 -5.626 -8.993 5.432 281 H ALA 35 H ALA 35 -6.781 -6.080 -0.023 282 HA ALA 35 HA ALA 35 -5.251 -7.163 -2.172 283 HB1 ALA 35 3HB ALA 35 -6.864 -8.496 -0.872 284 HB2 ALA 35 1HB ALA 35 -7.263 -8.534 -2.591 285 HB3 ALA 35 2HB ALA 35 -8.193 -7.513 -1.492 286 H HIS 36 H HIS 36 -7.880 -4.830 -1.976 287 HA HIS 36 HA HIS 36 -8.556 -4.468 -4.672 288 HB2 HIS 36 2HB HIS 36 -9.865 -3.668 -2.686 289 HB3 HIS 36 3HB HIS 36 -8.641 -2.451 -2.381 290 HD1 HIS 36 HD1 HIS 36 -11.889 -2.715 -3.698 291 HD2 HIS 36 HD2 HIS 36 -8.498 -0.627 -4.882 292 HE1 HIS 36 HE1 HIS 36 -12.717 -0.808 -5.097 293 HE2 HIS 36 HE2 HIS 36 -10.647 0.368 -5.894 294 H LEU 37 H LEU 37 -6.216 -2.659 -2.606 295 HA LEU 37 HA LEU 37 -5.226 -0.996 -4.740 296 HB2 LEU 37 2HB LEU 37 -5.114 -0.348 -2.336 297 HB3 LEU 37 3HB LEU 37 -3.975 -1.652 -2.045 298 HG LEU 37 HG LEU 37 -2.357 -0.509 -3.634 299 HD11 LEU 37 1HD1 LEU 37 -2.681 1.829 -4.234 300 HD12 LEU 37 2HD1 LEU 37 -4.291 1.821 -3.509 301 HD13 LEU 37 3HD1 LEU 37 -3.953 0.823 -4.925 302 HD21 LEU 37 3HD2 LEU 37 -1.637 1.224 -2.038 303 HD22 LEU 37 1HD2 LEU 37 -2.071 -0.281 -1.230 304 HD23 LEU 37 2HD2 LEU 37 -3.181 1.087 -1.192 305 H ALA 38 H ALA 38 -4.231 -4.086 -3.327 306 HA ALA 38 HA ALA 38 -1.715 -4.461 -4.459 307 HB1 ALA 38 3HB ALA 38 -2.065 -6.860 -4.068 308 HB2 ALA 38 1HB ALA 38 -3.801 -6.588 -3.871 309 HB3 ALA 38 2HB ALA 38 -2.662 -5.908 -2.711 310 H LYS 39 H LYS 39 -4.868 -5.599 -5.796 311 HA LYS 39 HA LYS 39 -3.839 -6.731 -8.164 312 HB2 LYS 39 2HB LYS 39 -6.147 -6.834 -8.950 313 HB3 LYS 39 3HB LYS 39 -6.082 -7.253 -7.244 314 HG2 LYS 39 2HG LYS 39 -6.827 -4.921 -6.698 315 HG3 LYS 39 3HG LYS 39 -7.021 -4.619 -8.426 316 HD2 LYS 39 2HD LYS 39 -8.701 -6.488 -8.501 317 HD3 LYS 39 3HD LYS 39 -8.542 -6.663 -6.760 318 HE2 LYS 39 2HE LYS 39 -9.347 -4.350 -6.455 319 HE3 LYS 39 3HE LYS 39 -9.513 -4.177 -8.205 320 HZ1 LYS 39 3HZ LYS 39 -11.135 -5.988 -8.166 321 HZ2 LYS 39 1HZ LYS 39 -11.632 -4.696 -7.201 322 HZ3 LYS 39 2HZ LYS 39 -11.007 -6.089 -6.486 323 H ASN 40 H ASN 40 -4.922 -3.437 -7.482 324 HA ASN 40 HA ASN 40 -4.973 -2.421 -10.124 325 HB2 ASN 40 2HB ASN 40 -4.563 -0.964 -7.475 326 HB3 ASN 40 3HB ASN 40 -4.860 -0.161 -9.017 327 HD21 ASN 40 1HD2 ASN 40 -6.466 -0.041 -6.620 328 HD22 ASN 40 2HD2 ASN 40 -8.031 -0.625 -7.053 329 H LEU 41 H LEU 41 -2.387 -2.567 -7.706 330 HA LEU 41 HA LEU 41 -0.438 -1.357 -9.585 331 HB2 LEU 41 2HB LEU 41 -0.248 -1.906 -6.598 332 HB3 LEU 41 3HB LEU 41 1.009 -1.145 -7.559 333 HG LEU 41 HG LEU 41 -1.754 0.019 -7.018 334 HD11 LEU 41 1HD1 LEU 41 -0.319 0.078 -5.038 335 HD12 LEU 41 2HD1 LEU 41 -0.589 1.699 -5.673 336 HD13 LEU 41 3HD1 LEU 41 0.952 0.885 -5.960 337 HD21 LEU 41 3HD2 LEU 41 -0.947 2.043 -8.146 338 HD22 LEU 41 1HD2 LEU 41 -0.959 0.669 -9.248 339 HD23 LEU 41 2HD2 LEU 41 0.567 1.236 -8.558 340 H LYS 42 H LYS 42 -1.545 -4.340 -9.191 341 HA LYS 42 HA LYS 42 -0.872 -6.462 -9.418 342 HB2 LYS 42 2HB LYS 42 1.451 -5.129 -10.842 343 HB3 LYS 42 3HB LYS 42 1.156 -6.867 -10.889 344 HG2 LYS 42 2HG LYS 42 -0.772 -4.735 -11.884 345 HG3 LYS 42 3HG LYS 42 0.294 -5.702 -12.905 346 HD2 LYS 42 2HD LYS 42 -0.885 -7.757 -12.255 347 HD3 LYS 42 3HD LYS 42 -1.894 -6.858 -11.120 348 HE2 LYS 42 2HE LYS 42 -1.882 -6.439 -14.129 349 HE3 LYS 42 3HE LYS 42 -3.070 -7.401 -13.249 350 HZ1 LYS 42 3HZ LYS 42 -3.910 -5.196 -13.703 351 HZ2 LYS 42 1HZ LYS 42 -2.599 -4.484 -12.904 352 HZ3 LYS 42 2HZ LYS 42 -3.726 -5.405 -12.035 353 H LEU 43 H LEU 43 0.055 -4.986 -7.017 354 HA LEU 43 HA LEU 43 2.345 -6.497 -6.020 355 HB2 LEU 43 2HB LEU 43 0.419 -4.572 -4.656 356 HB3 LEU 43 3HB LEU 43 1.817 -5.288 -3.863 357 HG LEU 43 HG LEU 43 1.959 -3.433 -6.273 358 HD11 LEU 43 1HD1 LEU 43 2.510 -2.799 -3.362 359 HD12 LEU 43 2HD1 LEU 43 1.146 -2.216 -4.320 360 HD13 LEU 43 3HD1 LEU 43 2.785 -1.721 -4.734 361 HD21 LEU 43 3HD2 LEU 43 4.160 -4.559 -4.511 362 HD22 LEU 43 1HD2 LEU 43 4.370 -3.344 -5.776 363 HD23 LEU 43 2HD2 LEU 43 3.843 -4.969 -6.200 364 H THR 44 H THR 44 1.979 -7.549 -3.769 365 HA THR 44 HA THR 44 -0.538 -9.132 -3.664 366 HB THR 44 HB THR 44 0.693 -10.775 -2.289 367 HG1 THR 44 HG1 THR 44 3.127 -10.356 -2.285 368 HG21 THR 44 3HG2 THR 44 2.315 -11.627 -3.960 369 HG22 THR 44 1HG2 THR 44 2.236 -10.085 -4.817 370 HG23 THR 44 2HG2 THR 44 0.809 -11.120 -4.726 371 H GLU 45 H GLU 45 -1.297 -9.594 -1.390 372 HA GLU 45 HA GLU 45 -1.499 -7.288 0.241 373 HB2 GLU 45 2HB GLU 45 -2.033 -10.196 0.953 374 HB3 GLU 45 3HB GLU 45 -2.495 -8.825 1.961 375 HG2 GLU 45 2HG GLU 45 -3.889 -7.984 0.020 376 HG3 GLU 45 3HG GLU 45 -3.559 -9.513 -0.801 377 H THR 46 H THR 46 0.968 -9.728 0.113 378 HA THR 46 HA THR 46 2.242 -9.200 2.620 379 HB THR 46 HB THR 46 3.435 -10.288 0.018 380 HG1 THR 46 HG1 THR 46 1.687 -11.442 1.437 381 HG21 THR 46 3HG2 THR 46 5.261 -11.184 1.448 382 HG22 THR 46 1HG2 THR 46 4.563 -10.360 2.839 383 HG23 THR 46 2HG2 THR 46 5.211 -9.418 1.496 384 H GLN 47 H GLN 47 2.882 -8.077 -0.716 385 HA GLN 47 HA GLN 47 5.044 -6.360 -0.167 386 HB2 GLN 47 2HB GLN 47 3.046 -6.326 -2.467 387 HB3 GLN 47 3HB GLN 47 4.556 -5.413 -2.445 388 HG2 GLN 47 2HG GLN 47 5.858 -7.469 -2.377 389 HG3 GLN 47 3HG GLN 47 4.389 -8.439 -2.260 390 HE21 GLN 47 1HE2 GLN 47 6.312 -6.425 -4.393 391 HE22 GLN 47 2HE2 GLN 47 5.625 -7.008 -5.856 392 H VAL 48 H VAL 48 1.577 -5.587 -0.586 393 HA VAL 48 HA VAL 48 1.703 -2.808 -0.136 394 HB VAL 48 HB VAL 48 -0.617 -4.738 0.372 395 HG11 VAL 48 1HG1 VAL 48 -2.113 -2.777 0.189 396 HG12 VAL 48 2HG1 VAL 48 -0.710 -1.711 0.073 397 HG13 VAL 48 3HG1 VAL 48 -1.007 -2.620 1.555 398 HG21 VAL 48 3HG2 VAL 48 -1.424 -4.064 -1.862 399 HG22 VAL 48 1HG2 VAL 48 0.182 -4.786 -1.961 400 HG23 VAL 48 2HG2 VAL 48 -0.004 -3.036 -2.079 401 H LYS 49 H LYS 49 0.957 -5.484 2.180 402 HA LYS 49 HA LYS 49 0.549 -3.939 4.489 403 HB2 LYS 49 2HB LYS 49 -0.054 -6.332 4.301 404 HB3 LYS 49 3HB LYS 49 1.645 -6.770 4.291 405 HG2 LYS 49 2HG LYS 49 1.901 -5.998 6.600 406 HG3 LYS 49 3HG LYS 49 0.237 -5.419 6.620 407 HD2 LYS 49 2HD LYS 49 0.304 -7.517 7.806 408 HD3 LYS 49 3HD LYS 49 -0.541 -7.787 6.285 409 HE2 LYS 49 2HE LYS 49 2.383 -8.477 6.748 410 HE3 LYS 49 3HE LYS 49 1.059 -9.619 6.941 411 HZ1 LYS 49 3HZ LYS 49 0.500 -9.119 4.555 412 HZ2 LYS 49 1HZ LYS 49 1.932 -9.980 4.817 413 HZ3 LYS 49 2HZ LYS 49 1.997 -8.335 4.445 414 H ILE 50 H ILE 50 3.587 -5.444 3.323 415 HA ILE 50 HA ILE 50 5.242 -4.616 5.473 416 HB ILE 50 HB ILE 50 5.977 -5.463 2.633 417 HG12 ILE 50 2HG1 ILE 50 6.146 -6.944 5.307 418 HG13 ILE 50 3HG1 ILE 50 4.958 -7.234 4.042 419 HG21 ILE 50 1HG2 ILE 50 7.878 -4.962 4.964 420 HG22 ILE 50 2HG2 ILE 50 7.788 -4.025 3.474 421 HG23 ILE 50 3HG2 ILE 50 8.332 -5.701 3.425 422 HD11 ILE 50 3HD1 ILE 50 6.722 -8.007 2.555 423 HD12 ILE 50 1HD1 ILE 50 6.675 -8.931 4.054 424 HD13 ILE 50 2HD1 ILE 50 7.925 -7.710 3.814 425 H TRP 51 H TRP 51 4.528 -3.097 2.282 426 HA TRP 51 HA TRP 51 6.287 -0.916 2.530 427 HB2 TRP 51 2HB TRP 51 5.065 -1.440 0.408 428 HB3 TRP 51 3HB TRP 51 3.572 -0.860 1.141 429 HD1 TRP 51 HD1 TRP 51 6.853 0.444 -0.360 430 HE1 TRP 51 HE1 TRP 51 6.696 2.961 -0.731 431 HE3 TRP 51 HE3 TRP 51 2.458 1.329 2.050 432 HZ2 TRP 51 HZ2 TRP 51 4.967 5.054 -0.070 433 HZ3 TRP 51 HZ3 TRP 51 1.623 3.631 2.160 434 HH2 TRP 51 HH2 TRP 51 2.855 5.463 1.118 435 H PHE 52 H PHE 52 2.795 -1.031 3.435 436 HA PHE 52 HA PHE 52 2.651 1.546 4.569 437 HB2 PHE 52 2HB PHE 52 0.934 -0.928 4.844 438 HB3 PHE 52 3HB PHE 52 0.586 0.487 5.830 439 HD1 PHE 52 HD1 PHE 52 0.766 -0.732 2.309 440 HD2 PHE 52 HD2 PHE 52 -0.469 2.449 4.871 441 HE1 PHE 52 HE1 PHE 52 -0.468 0.282 0.455 442 HE2 PHE 52 HE2 PHE 52 -1.712 3.452 3.012 443 HZ PHE 52 HZ PHE 52 -1.709 2.375 0.800 444 H GLN 53 H GLN 53 3.584 -1.510 6.042 445 HA GLN 53 HA GLN 53 3.791 -0.672 8.761 446 HB2 GLN 53 2HB GLN 53 3.705 -3.021 8.298 447 HB3 GLN 53 3HB GLN 53 4.979 -2.919 7.092 448 HG2 GLN 53 2HG GLN 53 6.618 -2.480 8.933 449 HG3 GLN 53 3HG GLN 53 5.318 -2.745 10.098 450 HE21 GLN 53 1HE2 GLN 53 7.248 -4.269 7.588 451 HE22 GLN 53 2HE2 GLN 53 6.993 -5.893 8.117 452 H ASN 54 H ASN 54 6.345 -1.130 6.306 453 HA ASN 54 HA ASN 54 8.521 -0.176 7.803 454 HB2 ASN 54 2HB ASN 54 8.145 -0.488 4.801 455 HB3 ASN 54 3HB ASN 54 9.688 -0.061 5.539 456 HD21 ASN 54 1HD2 ASN 54 10.442 -1.989 4.478 457 HD22 ASN 54 2HD2 ASN 54 10.196 -3.526 5.201 458 H ARG 55 H ARG 55 6.464 1.441 5.418 459 HA ARG 55 HA ARG 55 7.763 3.840 5.085 460 HB2 ARG 55 2HB ARG 55 5.531 2.897 3.999 461 HB3 ARG 55 3HB ARG 55 4.737 3.847 5.244 462 HG2 ARG 55 2HG ARG 55 4.841 5.156 3.221 463 HG3 ARG 55 3HG ARG 55 5.935 5.875 4.407 464 HD2 ARG 55 2HD ARG 55 7.859 4.747 3.315 465 HD3 ARG 55 3HD ARG 55 6.764 4.025 2.120 466 HE ARG 55 HE ARG 55 6.489 6.840 2.105 467 HH11 ARG 55 1HH1 ARG 55 8.719 4.370 1.089 468 HH12 ARG 55 2HH1 ARG 55 9.475 5.388 -0.082 469 HH21 ARG 55 1HH2 ARG 55 7.464 8.099 0.566 470 HH22 ARG 55 2HH2 ARG 55 8.772 7.470 -0.372 471 H ARG 56 H ARG 56 5.377 3.027 7.617 472 HA ARG 56 HA ARG 56 5.423 5.493 9.007 473 HB2 ARG 56 2HB ARG 56 4.860 2.707 10.084 474 HB3 ARG 56 3HB ARG 56 4.491 4.211 10.909 475 HG2 ARG 56 2HG ARG 56 3.051 4.735 8.769 476 HG3 ARG 56 3HG ARG 56 3.156 2.997 8.505 477 HD2 ARG 56 2HD ARG 56 1.125 3.371 9.689 478 HD3 ARG 56 3HD ARG 56 2.251 2.699 10.870 479 HE ARG 56 HE ARG 56 2.503 5.442 11.038 480 HH11 ARG 56 1HH1 ARG 56 0.011 3.142 11.725 481 HH12 ARG 56 2HH1 ARG 56 -0.833 4.222 12.771 482 HH21 ARG 56 1HH2 ARG 56 1.395 6.791 12.369 483 HH22 ARG 56 2HH2 ARG 56 -0.065 6.259 13.130 484 H TYR 57 H TYR 57 7.413 2.559 9.312 485 HA TYR 57 HA TYR 57 9.006 3.357 11.518 486 HB2 TYR 57 2HB TYR 57 8.801 1.011 10.719 487 HB3 TYR 57 3HB TYR 57 9.665 1.434 9.249 488 HD1 TYR 57 HD1 TYR 57 10.040 1.078 12.945 489 HD2 TYR 57 HD2 TYR 57 12.101 1.435 9.214 490 HE1 TYR 57 HE1 TYR 57 12.150 0.494 14.057 491 HE2 TYR 57 HE2 TYR 57 14.210 0.858 10.332 492 HH TYR 57 HH TYR 57 14.355 -0.443 13.471 493 H LYS 58 H LYS 58 9.225 4.141 8.078 494 HA LYS 58 HA LYS 58 11.889 5.270 8.191 495 HB2 LYS 58 2HB LYS 58 9.821 5.794 6.016 496 HB3 LYS 58 3HB LYS 58 11.567 5.978 5.896 497 HG2 LYS 58 2HG LYS 58 9.985 3.406 6.041 498 HG3 LYS 58 3HG LYS 58 10.914 4.019 4.676 499 HD2 LYS 58 2HD LYS 58 13.008 3.641 5.871 500 HD3 LYS 58 3HD LYS 58 12.137 3.185 7.340 501 HE2 LYS 58 2HE LYS 58 12.964 1.190 6.171 502 HE3 LYS 58 3HE LYS 58 11.201 1.217 6.178 503 HZ1 LYS 58 3HZ LYS 58 12.108 0.567 4.030 504 HZ2 LYS 58 1HZ LYS 58 12.916 2.048 3.897 505 HZ3 LYS 58 2HZ LYS 58 11.225 2.004 3.907 506 H THR 59 H THR 59 8.637 6.481 8.690 507 HA THR 59 HA THR 59 9.563 9.309 8.629 508 HB THR 59 HB THR 59 7.806 8.736 6.903 509 HG1 THR 59 HG1 THR 59 7.632 10.817 7.270 510 HG21 THR 59 3HG2 THR 59 5.957 8.368 9.295 511 HG22 THR 59 1HG2 THR 59 6.467 7.086 8.189 512 HG23 THR 59 2HG2 THR 59 5.463 8.411 7.604 513 H LYS 60 H LYS 60 7.848 10.664 10.061 514 HA LYS 60 HA LYS 60 8.075 10.044 12.782 515 HB2 LYS 60 2HB LYS 60 6.373 11.844 13.124 516 HB3 LYS 60 3HB LYS 60 7.635 12.318 11.991 517 HG2 LYS 60 2HG LYS 60 6.113 11.831 10.096 518 HG3 LYS 60 3HG LYS 60 4.844 11.388 11.244 519 HD2 LYS 60 2HD LYS 60 4.921 13.705 12.173 520 HD3 LYS 60 3HD LYS 60 6.132 14.131 10.960 521 HE2 LYS 60 2HE LYS 60 4.502 13.656 9.172 522 HE3 LYS 60 3HE LYS 60 3.295 13.218 10.382 523 HZ1 LYS 60 3HZ LYS 60 4.565 15.893 10.132 524 HZ2 LYS 60 1HZ LYS 60 3.351 15.458 11.229 525 HZ3 LYS 60 2HZ LYS 60 3.023 15.489 9.571 526 H ARG 61 H ARG 61 6.745 8.979 14.259 527 HA ARG 61 HA ARG 61 4.243 7.719 13.366 528 HB2 ARG 61 2HB ARG 61 5.133 5.451 14.228 529 HB3 ARG 61 3HB ARG 61 5.733 6.015 12.671 530 HG2 ARG 61 2HG ARG 61 7.821 6.818 13.781 531 HG3 ARG 61 3HG ARG 61 7.227 6.190 15.317 532 HD2 ARG 61 2HD ARG 61 7.269 3.903 14.424 533 HD3 ARG 61 3HD ARG 61 7.789 4.513 12.848 534 HE ARG 61 HE ARG 61 9.761 5.442 14.309 535 HH11 ARG 61 1HH1 ARG 61 8.292 2.338 14.683 536 HH12 ARG 61 2HH1 ARG 61 9.768 1.570 15.142 537 HH21 ARG 61 1HH2 ARG 61 11.604 4.459 14.929 538 HH22 ARG 61 2HH2 ARG 61 11.636 2.772 15.293 539 H LYS 62 H LYS 62 3.163 8.994 14.868 540 HA LYS 62 HA LYS 62 3.723 9.211 17.639 541 HB2 LYS 62 2HB LYS 62 2.218 10.761 16.353 542 HB3 LYS 62 3HB LYS 62 1.019 9.476 16.255 543 HG2 LYS 62 2HG LYS 62 0.793 9.495 18.716 544 HG3 LYS 62 3HG LYS 62 2.000 10.773 18.825 545 HD2 LYS 62 2HD LYS 62 -0.639 11.069 17.339 546 HD3 LYS 62 3HD LYS 62 -0.419 11.522 19.027 547 HE2 LYS 62 2HE LYS 62 -0.237 13.530 17.750 548 HE3 LYS 62 3HE LYS 62 1.398 13.120 18.254 549 HZ1 LYS 62 3HZ LYS 62 1.225 13.869 15.925 550 HZ2 LYS 62 1HZ LYS 62 0.267 12.522 15.565 551 HZ3 LYS 62 2HZ LYS 62 1.876 12.317 16.055 552 H GLN 63 H GLN 63 1.713 6.965 15.806 553 HA GLN 63 HA GLN 63 0.997 5.283 18.062 554 HB2 GLN 63 2HB GLN 63 0.755 4.882 15.042 555 HB3 GLN 63 3HB GLN 63 0.173 3.721 16.227 556 HG2 GLN 63 2HG GLN 63 -1.714 4.984 15.466 557 HG3 GLN 63 3HG GLN 63 -1.373 5.472 17.123 558 HE21 GLN 63 1HE2 GLN 63 -2.492 7.435 16.862 559 HE22 GLN 63 2HE2 GLN 63 -1.884 8.732 15.904 560 H LEU 64 H LEU 64 1.647 2.849 17.941 561 HA LEU 64 HA LEU 64 4.560 2.779 18.088 562 HB2 LEU 64 2HB LEU 64 2.484 0.736 18.978 563 HB3 LEU 64 3HB LEU 64 4.209 0.556 19.220 564 HG LEU 64 HG LEU 64 3.314 1.243 21.325 565 HD11 LEU 64 1HD1 LEU 64 5.412 2.356 20.758 566 HD12 LEU 64 2HD1 LEU 64 4.411 3.361 21.800 567 HD13 LEU 64 3HD1 LEU 64 4.524 3.721 20.076 568 HD21 LEU 64 3HD2 LEU 64 1.884 3.199 21.695 569 HD22 LEU 64 1HD2 LEU 64 1.124 2.071 20.574 570 HD23 LEU 64 2HD2 LEU 64 1.876 3.546 19.965 571 H SER 65 H SER 65 4.429 2.987 15.680 572 HA SER 65 HA SER 65 3.742 0.674 14.070 573 HB2 SER 65 2HB SER 65 4.995 3.311 13.238 574 HB3 SER 65 3HB SER 65 4.176 2.145 12.197 575 HG SER 65 HG SER 65 2.997 4.106 13.082 576 H SER 66 H SER 66 5.188 -1.008 14.121 577 HA SER 66 HA SER 66 7.088 -2.239 14.301 578 HB2 SER 66 2HB SER 66 8.169 -0.094 12.410 579 HB3 SER 66 3HB SER 66 8.949 -1.648 12.717 580 HG SER 66 HG SER 66 6.626 -1.067 11.273 581 H GLU 67 H GLU 67 6.679 -0.644 16.446 582 HA GLU 67 HA GLU 67 8.824 1.020 17.263 583 HB2 GLU 67 2HB GLU 67 6.569 1.146 18.249 584 HB3 GLU 67 3HB GLU 67 6.733 -0.478 18.901 585 HG2 GLU 67 2HG GLU 67 7.008 1.172 20.665 586 HG3 GLU 67 3HG GLU 67 8.518 0.302 20.422 587 H LEU 68 H LEU 68 10.611 0.634 18.579 588 HA LEU 68 HA LEU 68 11.899 -1.899 18.414 589 HB2 LEU 68 2HB LEU 68 12.589 0.570 20.047 590 HB3 LEU 68 3HB LEU 68 13.661 -0.808 19.843 591 HG LEU 68 HG LEU 68 12.727 1.091 17.657 592 HD11 LEU 68 1HD1 LEU 68 15.087 1.765 17.531 593 HD12 LEU 68 2HD1 LEU 68 15.461 0.721 18.906 594 HD13 LEU 68 3HD1 LEU 68 14.382 2.102 19.111 595 HD21 LEU 68 3HD2 LEU 68 12.930 -1.155 16.731 596 HD22 LEU 68 1HD2 LEU 68 14.551 -1.325 17.414 597 HD23 LEU 68 2HD2 LEU 68 14.238 -0.133 16.148 598 H GLY 69 H GLY 69 11.886 -3.588 19.745 599 HA2 GLY 69 2HA GLY 69 11.367 -3.421 22.603 600 HA3 GLY 69 3HA GLY 69 10.081 -4.185 21.679 Start of MODEL 17 1 H1 MET 1 1H MET 1 30.635 2.119 -6.762 2 H2 MET 1 2H MET 1 30.762 3.806 -6.801 3 H3 MET 1 3H MET 1 32.142 2.857 -6.556 4 HA MET 1 HA MET 1 32.028 3.743 -8.814 5 HB2 MET 1 2HB MET 1 33.167 1.559 -8.257 6 HB3 MET 1 3HB MET 1 31.691 0.708 -8.694 7 HG2 MET 1 2HG MET 1 33.331 0.610 -10.502 8 HG3 MET 1 3HG MET 1 31.909 1.527 -11.010 9 HE1 MET 1 3HE MET 1 34.767 3.425 -12.913 10 HE2 MET 1 1HE MET 1 33.145 2.753 -13.063 11 HE3 MET 1 2HE MET 1 34.510 1.693 -12.707 12 H GLY 2 H GLY 2 30.941 3.752 -10.896 13 HA2 GLY 2 2HA GLY 2 28.152 4.171 -10.765 14 HA3 GLY 2 3HA GLY 2 29.121 4.134 -12.224 15 H HIS 3 H HIS 3 27.229 2.190 -9.988 16 HA HIS 3 HA HIS 3 26.478 0.349 -12.177 17 HB2 HIS 3 2HB HIS 3 27.171 -0.518 -9.332 18 HB3 HIS 3 3HB HIS 3 26.396 -1.558 -10.521 19 HD1 HIS 3 HD1 HIS 3 27.882 -2.030 -12.743 20 HD2 HIS 3 HD2 HIS 3 29.934 -0.568 -9.433 21 HE1 HIS 3 HE1 HIS 3 30.300 -2.545 -13.166 22 HE2 HIS 3 HE2 HIS 3 31.527 -1.589 -11.196 23 H HIS 4 H HIS 4 25.608 0.718 -8.720 24 HA HIS 4 HA HIS 4 23.669 1.022 -7.594 25 HB2 HIS 4 2HB HIS 4 23.863 3.231 -8.929 26 HB3 HIS 4 3HB HIS 4 22.643 2.580 -10.009 27 HD1 HIS 4 HD1 HIS 4 20.215 2.352 -9.029 28 HD2 HIS 4 HD2 HIS 4 22.921 4.246 -6.522 29 HE1 HIS 4 HE1 HIS 4 18.833 3.488 -7.285 30 HE2 HIS 4 HE2 HIS 4 20.496 4.478 -5.680 31 H HIS 5 H HIS 5 23.874 -1.305 -9.534 32 HA HIS 5 HA HIS 5 21.298 -1.689 -10.740 33 HB2 HIS 5 2HB HIS 5 23.278 -2.650 -11.799 34 HB3 HIS 5 3HB HIS 5 23.604 -3.638 -10.378 35 HD1 HIS 5 HD1 HIS 5 20.644 -3.181 -12.765 36 HD2 HIS 5 HD2 HIS 5 22.684 -6.193 -10.753 37 HE1 HIS 5 HE1 HIS 5 19.488 -5.316 -13.396 38 HE2 HIS 5 HE2 HIS 5 20.690 -7.108 -12.105 39 H HIS 6 H HIS 6 19.588 -1.985 -9.492 40 HA HIS 6 HA HIS 6 19.579 -4.095 -7.407 41 HB2 HIS 6 2HB HIS 6 17.616 -1.809 -7.888 42 HB3 HIS 6 3HB HIS 6 17.465 -3.024 -6.622 43 HD1 HIS 6 HD1 HIS 6 19.847 -3.080 -5.054 44 HD2 HIS 6 HD2 HIS 6 18.720 0.477 -6.887 45 HE1 HIS 6 HE1 HIS 6 21.005 -1.267 -3.776 46 HE2 HIS 6 HE2 HIS 6 20.403 0.860 -4.967 47 H HIS 7 H HIS 7 17.239 -5.110 -7.312 48 HA HIS 7 HA HIS 7 16.806 -6.495 -9.803 49 HB2 HIS 7 2HB HIS 7 15.324 -6.646 -7.143 50 HB3 HIS 7 3HB HIS 7 14.995 -7.699 -8.518 51 HD1 HIS 7 HD1 HIS 7 16.688 -9.582 -9.010 52 HD2 HIS 7 HD2 HIS 7 17.759 -7.219 -5.769 53 HE1 HIS 7 HE1 HIS 7 18.578 -10.786 -7.891 54 HE2 HIS 7 HE2 HIS 7 19.264 -9.297 -5.985 55 H HIS 8 H HIS 8 15.350 -6.090 -11.367 56 HA HIS 8 HA HIS 8 13.900 -3.660 -11.532 57 HB2 HIS 8 2HB HIS 8 14.775 -4.885 -13.515 58 HB3 HIS 8 3HB HIS 8 13.607 -6.171 -13.245 59 HD1 HIS 8 HD1 HIS 8 13.852 -2.594 -14.401 60 HD2 HIS 8 HD2 HIS 8 11.052 -5.657 -14.262 61 HE1 HIS 8 HE1 HIS 8 11.915 -1.800 -15.778 62 HE2 HIS 8 HE2 HIS 8 10.163 -3.576 -15.493 63 H SER 9 H SER 9 12.946 -6.883 -10.498 64 HA SER 9 HA SER 9 10.108 -6.372 -10.425 65 HB2 SER 9 2HB SER 9 11.756 -8.583 -9.135 66 HB3 SER 9 3HB SER 9 9.994 -8.545 -9.193 67 HG SER 9 HG SER 9 10.106 -9.324 -11.144 68 H HIS 10 H HIS 10 10.334 -4.303 -9.322 69 HA HIS 10 HA HIS 10 9.761 -4.468 -6.482 70 HB2 HIS 10 2HB HIS 10 12.201 -2.981 -7.527 71 HB3 HIS 10 3HB HIS 10 11.376 -2.424 -6.077 72 HD1 HIS 10 HD1 HIS 10 14.277 -4.122 -6.749 73 HD2 HIS 10 HD2 HIS 10 11.024 -5.077 -4.354 74 HE1 HIS 10 HE1 HIS 10 15.126 -5.780 -5.080 75 HE2 HIS 10 HE2 HIS 10 13.196 -6.190 -3.532 76 H MET 11 H MET 11 9.312 -2.034 -5.700 77 HA MET 11 HA MET 11 7.117 -1.176 -7.370 78 HB2 MET 11 2HB MET 11 8.130 -0.049 -4.728 79 HB3 MET 11 3HB MET 11 6.602 0.374 -5.489 80 HG2 MET 11 2HG MET 11 5.753 -1.867 -5.174 81 HG3 MET 11 3HG MET 11 7.330 -2.433 -4.612 82 HE1 MET 11 3HE MET 11 5.162 -2.595 -1.320 83 HE2 MET 11 1HE MET 11 6.190 -3.514 -2.417 84 HE3 MET 11 2HE MET 11 4.601 -2.960 -2.951 85 H SER 12 H SER 12 6.992 0.615 -8.651 86 HA SER 12 HA SER 12 9.516 2.078 -9.227 87 HB2 SER 12 2HB SER 12 7.049 1.737 -10.984 88 HB3 SER 12 3HB SER 12 8.557 2.524 -11.459 89 HG SER 12 HG SER 12 9.319 0.217 -10.618 90 H HIS 13 H HIS 13 9.134 4.413 -10.091 91 HA HIS 13 HA HIS 13 8.488 6.016 -7.952 92 HB2 HIS 13 2HB HIS 13 9.903 6.718 -9.856 93 HB3 HIS 13 3HB HIS 13 8.485 6.824 -10.889 94 HD1 HIS 13 HD1 HIS 13 10.264 8.628 -8.122 95 HD2 HIS 13 HD2 HIS 13 6.969 9.184 -10.578 96 HE1 HIS 13 HE1 HIS 13 9.601 11.020 -7.824 97 HE2 HIS 13 HE2 HIS 13 7.521 11.291 -9.204 98 H THR 14 H THR 14 6.367 5.549 -10.828 99 HA THR 14 HA THR 14 4.212 7.190 -10.012 100 HB THR 14 HB THR 14 4.139 4.766 -11.864 101 HG1 THR 14 HG1 THR 14 4.488 6.331 -13.514 102 HG21 THR 14 3HG2 THR 14 2.211 5.849 -12.949 103 HG22 THR 14 1HG2 THR 14 2.268 7.167 -11.781 104 HG23 THR 14 2HG2 THR 14 1.859 5.532 -11.249 105 H GLN 15 H GLN 15 4.844 3.726 -9.558 106 HA GLN 15 HA GLN 15 2.371 2.955 -8.391 107 HB2 GLN 15 2HB GLN 15 3.929 1.370 -9.457 108 HB3 GLN 15 3HB GLN 15 5.138 1.691 -8.218 109 HG2 GLN 15 2HG GLN 15 3.816 0.598 -6.532 110 HG3 GLN 15 3HG GLN 15 2.424 0.489 -7.614 111 HE21 GLN 15 1HE2 GLN 15 2.542 -1.003 -9.384 112 HE22 GLN 15 2HE2 GLN 15 3.596 -2.365 -9.305 113 H VAL 16 H VAL 16 5.463 3.958 -6.974 114 HA VAL 16 HA VAL 16 4.860 3.681 -4.245 115 HB VAL 16 HB VAL 16 6.804 5.593 -5.624 116 HG11 VAL 16 1HG1 VAL 16 6.679 4.904 -2.660 117 HG12 VAL 16 2HG1 VAL 16 6.320 6.474 -3.383 118 HG13 VAL 16 3HG1 VAL 16 7.961 5.833 -3.447 119 HG21 VAL 16 3HG2 VAL 16 8.534 3.940 -5.022 120 HG22 VAL 16 1HG2 VAL 16 7.279 3.204 -6.018 121 HG23 VAL 16 2HG2 VAL 16 7.309 2.907 -4.280 122 H ILE 17 H ILE 17 4.265 6.401 -6.506 123 HA ILE 17 HA ILE 17 3.234 8.256 -4.622 124 HB ILE 17 HB ILE 17 2.534 7.984 -7.581 125 HG12 ILE 17 2HG1 ILE 17 4.571 9.827 -6.235 126 HG13 ILE 17 3HG1 ILE 17 4.968 8.366 -7.129 127 HG21 ILE 17 1HG2 ILE 17 2.057 10.354 -5.729 128 HG22 ILE 17 2HG2 ILE 17 0.817 9.313 -6.428 129 HG23 ILE 17 3HG2 ILE 17 1.785 10.350 -7.474 130 HD11 ILE 17 3HD1 ILE 17 5.373 10.341 -8.458 131 HD12 ILE 17 1HD1 ILE 17 3.694 10.848 -8.280 132 HD13 ILE 17 2HD1 ILE 17 4.085 9.377 -9.175 133 H GLU 18 H GLU 18 1.603 5.672 -6.503 134 HA GLU 18 HA GLU 18 -1.060 6.220 -5.658 135 HB2 GLU 18 2HB GLU 18 0.152 3.577 -6.553 136 HB3 GLU 18 3HB GLU 18 -1.574 3.916 -6.434 137 HG2 GLU 18 2HG GLU 18 0.383 5.281 -8.308 138 HG3 GLU 18 3HG GLU 18 -0.747 4.006 -8.754 139 H LEU 19 H LEU 19 1.423 4.032 -4.379 140 HA LEU 19 HA LEU 19 0.069 2.968 -2.158 141 HB2 LEU 19 2HB LEU 19 2.993 3.539 -2.717 142 HB3 LEU 19 3HB LEU 19 2.480 2.763 -1.234 143 HG LEU 19 HG LEU 19 1.753 1.547 -3.908 144 HD11 LEU 19 1HD1 LEU 19 4.366 1.063 -2.450 145 HD12 LEU 19 2HD1 LEU 19 4.176 1.876 -4.005 146 HD13 LEU 19 3HD1 LEU 19 3.776 0.167 -3.854 147 HD21 LEU 19 3HD2 LEU 19 1.688 -0.545 -2.635 148 HD22 LEU 19 1HD2 LEU 19 0.631 0.661 -1.902 149 HD23 LEU 19 2HD2 LEU 19 2.198 0.304 -1.172 150 H GLU 20 H GLU 20 2.048 5.956 -2.460 151 HA GLU 20 HA GLU 20 1.865 6.882 0.197 152 HB2 GLU 20 2HB GLU 20 2.369 8.323 -2.426 153 HB3 GLU 20 3HB GLU 20 2.375 9.183 -0.892 154 HG2 GLU 20 2HG GLU 20 4.218 6.865 -1.552 155 HG3 GLU 20 3HG GLU 20 4.637 8.557 -1.787 156 H ARG 21 H ARG 21 -0.217 7.404 -2.621 157 HA ARG 21 HA ARG 21 -1.948 9.361 -1.605 158 HB2 ARG 21 2HB ARG 21 -2.279 7.227 -3.739 159 HB3 ARG 21 3HB ARG 21 -3.631 8.271 -3.310 160 HG2 ARG 21 2HG ARG 21 -2.357 10.254 -3.964 161 HG3 ARG 21 3HG ARG 21 -0.936 9.265 -4.306 162 HD2 ARG 21 2HD ARG 21 -2.018 8.223 -6.192 163 HD3 ARG 21 3HD ARG 21 -3.583 8.922 -5.761 164 HE ARG 21 HE ARG 21 -1.808 11.033 -6.170 165 HH11 ARG 21 1HH1 ARG 21 -3.148 8.505 -8.145 166 HH12 ARG 21 2HH1 ARG 21 -3.219 9.506 -9.554 167 HH21 ARG 21 1HH2 ARG 21 -1.939 12.289 -8.002 168 HH22 ARG 21 2HH2 ARG 21 -2.541 11.606 -9.469 169 H LYS 22 H LYS 22 -2.264 5.807 -1.585 170 HA LYS 22 HA LYS 22 -4.657 5.680 -0.062 171 HB2 LYS 22 2HB LYS 22 -3.693 3.891 -1.583 172 HB3 LYS 22 3HB LYS 22 -2.510 3.544 -0.334 173 HG2 LYS 22 2HG LYS 22 -4.299 1.907 -0.269 174 HG3 LYS 22 3HG LYS 22 -4.315 2.880 1.207 175 HD2 LYS 22 2HD LYS 22 -6.213 4.188 0.382 176 HD3 LYS 22 3HD LYS 22 -6.135 3.374 -1.184 177 HE2 LYS 22 2HE LYS 22 -6.770 1.247 -0.141 178 HE3 LYS 22 3HE LYS 22 -6.768 2.003 1.454 179 HZ1 LYS 22 3HZ LYS 22 -8.578 3.426 0.748 180 HZ2 LYS 22 1HZ LYS 22 -9.007 1.805 0.553 181 HZ3 LYS 22 2HZ LYS 22 -8.571 2.737 -0.791 182 H PHE 23 H PHE 23 -1.249 5.628 0.847 183 HA PHE 23 HA PHE 23 -1.454 4.978 3.594 184 HB2 PHE 23 2HB PHE 23 0.622 4.801 2.202 185 HB3 PHE 23 3HB PHE 23 0.726 6.554 2.166 186 HD1 PHE 23 HD2 PHE 23 0.911 3.591 4.418 187 HD2 PHE 23 HD1 PHE 23 1.799 7.747 3.973 188 HE1 PHE 23 HE2 PHE 23 2.289 3.510 6.444 189 HE2 PHE 23 HE1 PHE 23 3.181 7.659 5.998 190 HZ PHE 23 HZ PHE 23 3.429 5.546 7.239 191 H SER 24 H SER 24 -1.364 8.130 1.936 192 HA SER 24 HA SER 24 -1.287 9.761 4.266 193 HB2 SER 24 2HB SER 24 -1.777 11.635 2.719 194 HB3 SER 24 3HB SER 24 -0.514 10.582 2.078 195 HG SER 24 HG SER 24 -2.008 9.674 0.679 196 H HIS 25 H HIS 25 -3.964 8.260 2.502 197 HA HIS 25 HA HIS 25 -6.010 9.782 3.876 198 HB2 HIS 25 2HB HIS 25 -6.078 7.337 2.068 199 HB3 HIS 25 3HB HIS 25 -7.527 8.002 2.812 200 HD1 HIS 25 HD1 HIS 25 -8.710 8.909 0.786 201 HD2 HIS 25 HD2 HIS 25 -4.762 10.165 0.957 202 HE1 HIS 25 HE1 HIS 25 -8.447 10.565 -1.068 203 HE2 HIS 25 HE2 HIS 25 -6.035 11.258 -0.996 204 H GLN 26 H GLN 26 -4.846 6.394 4.013 205 HA GLN 26 HA GLN 26 -5.386 6.315 6.900 206 HB2 GLN 26 2HB GLN 26 -6.392 4.056 6.772 207 HB3 GLN 26 3HB GLN 26 -7.374 5.269 5.961 208 HG2 GLN 26 2HG GLN 26 -6.671 4.479 3.782 209 HG3 GLN 26 3HG GLN 26 -5.489 3.393 4.517 210 HE21 GLN 26 1HE2 GLN 26 -7.260 2.442 6.613 211 HE22 GLN 26 2HE2 GLN 26 -8.410 1.420 5.844 212 H LYS 27 H LYS 27 -3.876 5.280 8.043 213 HA LYS 27 HA LYS 27 -1.328 4.782 6.780 214 HB2 LYS 27 2HB LYS 27 -2.283 4.788 9.662 215 HB3 LYS 27 3HB LYS 27 -0.601 4.519 9.214 216 HG2 LYS 27 2HG LYS 27 -2.177 7.024 8.522 217 HG3 LYS 27 3HG LYS 27 -1.101 6.861 9.916 218 HD2 LYS 27 2HD LYS 27 0.818 6.513 8.459 219 HD3 LYS 27 3HD LYS 27 -0.215 6.504 7.030 220 HE2 LYS 27 2HE LYS 27 0.148 8.893 8.869 221 HE3 LYS 27 3HE LYS 27 1.031 8.644 7.362 222 HZ1 LYS 27 3HZ LYS 27 -1.190 8.545 6.246 223 HZ2 LYS 27 1HZ LYS 27 -0.765 10.055 6.881 224 HZ3 LYS 27 2HZ LYS 27 -1.878 9.078 7.693 225 H TYR 28 H TYR 28 -3.901 2.752 7.822 226 HA TYR 28 HA TYR 28 -2.279 0.303 7.472 227 HB2 TYR 28 2HB TYR 28 -4.241 0.758 9.781 228 HB3 TYR 28 3HB TYR 28 -3.420 -0.759 9.428 229 HD1 TYR 28 HD2 TYR 28 -0.827 -0.776 9.527 230 HD2 TYR 28 HD1 TYR 28 -3.186 2.370 11.207 231 HE1 TYR 28 HE2 TYR 28 1.086 -0.067 10.891 232 HE2 TYR 28 HE1 TYR 28 -1.271 3.083 12.569 233 HH TYR 28 HH TYR 28 0.830 2.111 13.464 234 H LEU 29 H LEU 29 -3.239 -1.019 5.999 235 HA LEU 29 HA LEU 29 -5.991 -0.448 5.130 236 HB2 LEU 29 2HB LEU 29 -3.942 -2.318 3.877 237 HB3 LEU 29 3HB LEU 29 -5.489 -1.859 3.184 238 HG LEU 29 HG LEU 29 -2.995 -0.168 3.484 239 HD11 LEU 29 1HD1 LEU 29 -4.701 -0.832 1.067 240 HD12 LEU 29 2HD1 LEU 29 -3.155 -1.575 1.481 241 HD13 LEU 29 3HD1 LEU 29 -3.224 0.137 1.072 242 HD21 LEU 29 3HD2 LEU 29 -5.777 0.850 2.833 243 HD22 LEU 29 1HD2 LEU 29 -4.279 1.766 2.650 244 HD23 LEU 29 2HD2 LEU 29 -4.804 1.256 4.250 245 H SER 30 H SER 30 -7.703 -1.756 5.461 246 HA SER 30 HA SER 30 -7.506 -4.301 6.828 247 HB2 SER 30 2HB SER 30 -9.842 -2.942 5.422 248 HB3 SER 30 3HB SER 30 -9.979 -4.442 6.342 249 HG SER 30 HG SER 30 -10.019 -3.303 8.117 250 H ALA 31 H ALA 31 -8.530 -6.296 5.778 251 HA ALA 31 HA ALA 31 -7.035 -7.206 3.668 252 HB1 ALA 31 3HB ALA 31 -8.218 -8.666 5.227 253 HB2 ALA 31 1HB ALA 31 -8.521 -9.132 3.558 254 HB3 ALA 31 2HB ALA 31 -9.757 -8.255 4.467 255 HA PRO 32 HA PRO 32 -10.592 -6.236 0.361 256 HB2 PRO 32 2HB PRO 32 -12.130 -3.985 0.942 257 HB3 PRO 32 3HB PRO 32 -12.649 -5.653 1.260 258 HG2 PRO 32 2HG PRO 32 -11.379 -3.684 3.150 259 HG3 PRO 32 3HG PRO 32 -12.795 -4.731 3.411 260 HD2 PRO 32 2HD PRO 32 -10.414 -5.426 4.389 261 HD3 PRO 32 3HD PRO 32 -11.476 -6.665 3.683 262 H GLU 33 H GLU 33 -9.308 -3.451 2.267 263 HA GLU 33 HA GLU 33 -8.905 -1.696 0.047 264 HB2 GLU 33 2HB GLU 33 -7.463 -1.560 2.731 265 HB3 GLU 33 3HB GLU 33 -7.788 -0.229 1.623 266 HG2 GLU 33 2HG GLU 33 -9.778 -1.727 3.350 267 HG3 GLU 33 3HG GLU 33 -9.256 -0.052 3.524 268 H ARG 34 H ARG 34 -6.898 -3.971 1.767 269 HA ARG 34 HA ARG 34 -4.351 -3.270 0.703 270 HB2 ARG 34 2HB ARG 34 -4.778 -4.357 2.919 271 HB3 ARG 34 3HB ARG 34 -5.298 -5.815 2.082 272 HG2 ARG 34 2HG ARG 34 -2.995 -6.027 1.130 273 HG3 ARG 34 3HG ARG 34 -2.507 -4.621 2.085 274 HD2 ARG 34 2HD ARG 34 -1.900 -6.746 3.204 275 HD3 ARG 34 3HD ARG 34 -3.058 -5.812 4.162 276 HE ARG 34 HE ARG 34 -4.452 -7.614 2.493 277 HH11 ARG 34 1HH1 ARG 34 -2.440 -7.731 5.320 278 HH12 ARG 34 2HH1 ARG 34 -3.227 -9.140 5.938 279 HH21 ARG 34 1HH2 ARG 34 -5.420 -9.393 3.278 280 HH22 ARG 34 2HH2 ARG 34 -4.892 -10.092 4.770 281 H ALA 35 H ALA 35 -6.707 -5.867 0.028 282 HA ALA 35 HA ALA 35 -5.351 -7.153 -2.097 283 HB1 ALA 35 3HB ALA 35 -8.334 -7.045 -1.517 284 HB2 ALA 35 1HB ALA 35 -7.190 -8.204 -0.837 285 HB3 ALA 35 2HB ALA 35 -7.526 -8.212 -2.570 286 H HIS 36 H HIS 36 -7.735 -4.528 -2.029 287 HA HIS 36 HA HIS 36 -8.162 -4.170 -4.786 288 HB2 HIS 36 2HB HIS 36 -9.609 -3.177 -3.051 289 HB3 HIS 36 3HB HIS 36 -8.291 -2.162 -2.482 290 HD1 HIS 36 HD1 HIS 36 -10.888 -2.415 -5.171 291 HD2 HIS 36 HD2 HIS 36 -7.823 0.166 -4.058 292 HE1 HIS 36 HE1 HIS 36 -11.273 -0.302 -6.464 293 HE2 HIS 36 HE2 HIS 36 -9.501 1.282 -5.669 294 H LEU 37 H LEU 37 -5.849 -2.514 -2.582 295 HA LEU 37 HA LEU 37 -4.683 -0.869 -4.617 296 HB2 LEU 37 2HB LEU 37 -4.662 -0.377 -2.130 297 HB3 LEU 37 3HB LEU 37 -3.459 -1.643 -1.941 298 HG LEU 37 HG LEU 37 -1.947 -0.330 -3.518 299 HD11 LEU 37 1HD1 LEU 37 -3.987 1.886 -3.149 300 HD12 LEU 37 2HD1 LEU 37 -3.640 1.026 -4.651 301 HD13 LEU 37 3HD1 LEU 37 -2.403 2.044 -3.917 302 HD21 LEU 37 3HD2 LEU 37 -1.579 -0.263 -1.108 303 HD22 LEU 37 1HD2 LEU 37 -2.727 1.068 -0.941 304 HD23 LEU 37 2HD2 LEU 37 -1.220 1.299 -1.833 305 H ALA 38 H ALA 38 -3.889 -4.036 -3.256 306 HA ALA 38 HA ALA 38 -1.363 -4.497 -4.370 307 HB1 ALA 38 3HB ALA 38 -1.831 -6.889 -4.025 308 HB2 ALA 38 1HB ALA 38 -3.550 -6.530 -3.801 309 HB3 ALA 38 2HB ALA 38 -2.362 -5.935 -2.641 310 H LYS 39 H LYS 39 -4.547 -5.587 -5.673 311 HA LYS 39 HA LYS 39 -3.485 -6.712 -8.038 312 HB2 LYS 39 2HB LYS 39 -5.776 -6.979 -8.794 313 HB3 LYS 39 3HB LYS 39 -5.659 -7.378 -7.088 314 HG2 LYS 39 2HG LYS 39 -6.727 -5.315 -6.438 315 HG3 LYS 39 3HG LYS 39 -6.692 -4.715 -8.098 316 HD2 LYS 39 2HD LYS 39 -8.259 -7.155 -7.156 317 HD3 LYS 39 3HD LYS 39 -8.943 -5.546 -7.416 318 HE2 LYS 39 2HE LYS 39 -8.339 -5.665 -9.802 319 HE3 LYS 39 3HE LYS 39 -7.629 -7.262 -9.556 320 HZ1 LYS 39 3HZ LYS 39 -9.859 -7.408 -10.470 321 HZ2 LYS 39 1HZ LYS 39 -10.492 -6.569 -9.143 322 HZ3 LYS 39 2HZ LYS 39 -9.804 -8.097 -8.927 323 H ASN 40 H ASN 40 -4.836 -3.496 -7.422 324 HA ASN 40 HA ASN 40 -4.860 -2.530 -10.084 325 HB2 ASN 40 2HB ASN 40 -4.717 -1.059 -7.421 326 HB3 ASN 40 3HB ASN 40 -4.864 -0.228 -8.969 327 HD21 ASN 40 1HD2 ASN 40 -6.866 0.633 -8.233 328 HD22 ASN 40 2HD2 ASN 40 -8.305 -0.312 -8.249 329 H LEU 41 H LEU 41 -2.300 -2.649 -7.670 330 HA LEU 41 HA LEU 41 -0.366 -1.322 -9.481 331 HB2 LEU 41 2HB LEU 41 -0.119 -2.182 -6.575 332 HB3 LEU 41 3HB LEU 41 1.127 -1.337 -7.485 333 HG LEU 41 HG LEU 41 -1.618 -0.209 -6.778 334 HD11 LEU 41 1HD1 LEU 41 -0.407 1.315 -5.285 335 HD12 LEU 41 2HD1 LEU 41 1.108 0.485 -5.650 336 HD13 LEU 41 3HD1 LEU 41 -0.190 -0.370 -4.812 337 HD21 LEU 41 3HD2 LEU 41 -0.812 0.657 -8.929 338 HD22 LEU 41 1HD2 LEU 41 0.710 1.143 -8.179 339 HD23 LEU 41 2HD2 LEU 41 -0.806 1.905 -7.692 340 H LYS 42 H LYS 42 -1.517 -4.354 -9.227 341 HA LYS 42 HA LYS 42 -0.863 -6.457 -9.597 342 HB2 LYS 42 2HB LYS 42 1.275 -4.994 -11.179 343 HB3 LYS 42 3HB LYS 42 1.125 -6.745 -11.209 344 HG2 LYS 42 2HG LYS 42 0.002 -5.897 -13.151 345 HG3 LYS 42 3HG LYS 42 -1.222 -6.496 -12.043 346 HD2 LYS 42 2HD LYS 42 -1.601 -4.107 -11.297 347 HD3 LYS 42 3HD LYS 42 -0.491 -3.589 -12.568 348 HE2 LYS 42 2HE LYS 42 -3.100 -5.088 -13.004 349 HE3 LYS 42 3HE LYS 42 -2.864 -3.357 -13.231 350 HZ1 LYS 42 3HZ LYS 42 -1.557 -5.528 -14.776 351 HZ2 LYS 42 1HZ LYS 42 -1.237 -3.877 -14.969 352 HZ3 LYS 42 2HZ LYS 42 -2.771 -4.490 -15.323 353 H LEU 43 H LEU 43 0.299 -4.996 -7.247 354 HA LEU 43 HA LEU 43 2.569 -6.644 -6.418 355 HB2 LEU 43 2HB LEU 43 0.897 -4.596 -4.893 356 HB3 LEU 43 3HB LEU 43 2.363 -5.353 -4.282 357 HG LEU 43 HG LEU 43 2.254 -3.519 -6.711 358 HD11 LEU 43 1HD1 LEU 43 3.326 -1.818 -5.282 359 HD12 LEU 43 2HD1 LEU 43 3.124 -2.874 -3.881 360 HD13 LEU 43 3HD1 LEU 43 1.707 -2.242 -4.721 361 HD21 LEU 43 3HD2 LEU 43 4.704 -3.481 -6.539 362 HD22 LEU 43 1HD2 LEU 43 4.111 -5.116 -6.823 363 HD23 LEU 43 2HD2 LEU 43 4.648 -4.640 -5.209 364 H THR 44 H THR 44 2.199 -7.535 -4.004 365 HA THR 44 HA THR 44 -0.344 -9.084 -3.923 366 HB THR 44 HB THR 44 0.777 -10.746 -2.563 367 HG1 THR 44 HG1 THR 44 3.205 -10.296 -2.248 368 HG21 THR 44 3HG2 THR 44 2.664 -9.949 -4.810 369 HG22 THR 44 1HG2 THR 44 1.213 -10.942 -4.994 370 HG23 THR 44 2HG2 THR 44 2.575 -11.536 -4.045 371 H GLU 45 H GLU 45 -1.301 -9.432 -1.794 372 HA GLU 45 HA GLU 45 -1.666 -7.163 -0.200 373 HB2 GLU 45 2HB GLU 45 -2.181 -10.090 0.461 374 HB3 GLU 45 3HB GLU 45 -2.690 -8.761 1.502 375 HG2 GLU 45 2HG GLU 45 -4.022 -7.859 -0.452 376 HG3 GLU 45 3HG GLU 45 -3.642 -9.349 -1.316 377 H THR 46 H THR 46 0.713 -9.754 0.134 378 HA THR 46 HA THR 46 1.613 -9.058 2.760 379 HB THR 46 HB THR 46 3.079 -10.634 0.595 380 HG1 THR 46 HG1 THR 46 2.246 -12.406 2.071 381 HG21 THR 46 3HG2 THR 46 3.517 -10.571 3.608 382 HG22 THR 46 1HG2 THR 46 4.617 -9.905 2.399 383 HG23 THR 46 2HG2 THR 46 4.341 -11.645 2.478 384 H GLN 47 H GLN 47 2.736 -8.209 -0.537 385 HA GLN 47 HA GLN 47 4.996 -6.657 0.157 386 HB2 GLN 47 2HB GLN 47 3.147 -6.499 -2.248 387 HB3 GLN 47 3HB GLN 47 4.616 -5.532 -2.102 388 HG2 GLN 47 2HG GLN 47 5.976 -7.567 -2.038 389 HG3 GLN 47 3HG GLN 47 4.520 -8.561 -2.129 390 HE21 GLN 47 1HE2 GLN 47 6.543 -6.291 -3.882 391 HE22 GLN 47 2HE2 GLN 47 5.981 -6.723 -5.453 392 H VAL 48 H VAL 48 1.637 -5.664 -0.446 393 HA VAL 48 HA VAL 48 1.964 -2.893 0.032 394 HB VAL 48 HB VAL 48 -0.531 -4.651 0.126 395 HG11 VAL 48 1HG1 VAL 48 -0.395 -1.615 0.031 396 HG12 VAL 48 2HG1 VAL 48 -0.983 -2.593 1.376 397 HG13 VAL 48 3HG1 VAL 48 -1.862 -2.585 -0.152 398 HG21 VAL 48 3HG2 VAL 48 -0.951 -3.793 -2.158 399 HG22 VAL 48 1HG2 VAL 48 0.601 -4.628 -2.065 400 HG23 VAL 48 2HG2 VAL 48 0.549 -2.864 -2.095 401 H LYS 49 H LYS 49 0.983 -5.575 2.194 402 HA LYS 49 HA LYS 49 0.468 -4.153 4.564 403 HB2 LYS 49 2HB LYS 49 -0.077 -6.523 4.384 404 HB3 LYS 49 3HB LYS 49 1.615 -6.943 4.143 405 HG2 LYS 49 2HG LYS 49 2.071 -6.109 6.492 406 HG3 LYS 49 3HG LYS 49 0.325 -5.929 6.701 407 HD2 LYS 49 2HD LYS 49 0.001 -8.336 6.377 408 HD3 LYS 49 3HD LYS 49 1.713 -8.551 6.001 409 HE2 LYS 49 2HE LYS 49 2.263 -7.779 8.313 410 HE3 LYS 49 3HE LYS 49 0.537 -7.708 8.669 411 HZ1 LYS 49 3HZ LYS 49 0.391 -10.078 8.245 412 HZ2 LYS 49 1HZ LYS 49 1.534 -9.768 9.453 413 HZ3 LYS 49 2HZ LYS 49 2.040 -10.151 7.885 414 H ILE 50 H ILE 50 3.518 -5.626 3.449 415 HA ILE 50 HA ILE 50 5.154 -4.783 5.602 416 HB ILE 50 HB ILE 50 5.808 -5.809 2.807 417 HG12 ILE 50 2HG1 ILE 50 6.035 -7.128 5.560 418 HG13 ILE 50 3HG1 ILE 50 4.739 -7.408 4.401 419 HG21 ILE 50 1HG2 ILE 50 7.712 -4.409 3.489 420 HG22 ILE 50 2HG2 ILE 50 8.162 -6.114 3.503 421 HG23 ILE 50 3HG2 ILE 50 7.823 -5.278 5.021 422 HD11 ILE 50 3HD1 ILE 50 6.319 -9.226 4.388 423 HD12 ILE 50 1HD1 ILE 50 7.645 -8.120 4.025 424 HD13 ILE 50 2HD1 ILE 50 6.358 -8.379 2.842 425 H TRP 51 H TRP 51 4.479 -3.297 2.413 426 HA TRP 51 HA TRP 51 6.338 -1.188 2.520 427 HB2 TRP 51 2HB TRP 51 4.985 -1.821 0.479 428 HB3 TRP 51 3HB TRP 51 3.575 -1.084 1.225 429 HD1 TRP 51 HD1 TRP 51 6.784 -0.181 -0.641 430 HE1 TRP 51 HE1 TRP 51 6.772 2.326 -1.217 431 HE3 TRP 51 HE3 TRP 51 2.728 1.267 2.086 432 HZ2 TRP 51 HZ2 TRP 51 5.245 4.610 -0.595 433 HZ3 TRP 51 HZ3 TRP 51 2.052 3.619 2.055 434 HH2 TRP 51 HH2 TRP 51 3.287 5.269 0.741 435 H PHE 52 H PHE 52 2.850 -1.097 3.394 436 HA PHE 52 HA PHE 52 2.756 1.423 4.575 437 HB2 PHE 52 2HB PHE 52 1.061 -1.056 4.895 438 HB3 PHE 52 3HB PHE 52 0.777 0.299 5.983 439 HD1 PHE 52 HD1 PHE 52 1.186 -0.353 2.282 440 HD2 PHE 52 HD2 PHE 52 -0.790 1.917 5.315 441 HE1 PHE 52 HE1 PHE 52 -0.149 0.790 0.565 442 HE2 PHE 52 HE2 PHE 52 -2.121 3.048 3.595 443 HZ PHE 52 HZ PHE 52 -1.803 2.495 1.218 444 H GLN 53 H GLN 53 3.474 -1.680 6.158 445 HA GLN 53 HA GLN 53 3.841 -0.924 8.816 446 HB2 GLN 53 2HB GLN 53 3.793 -3.264 8.080 447 HB3 GLN 53 3HB GLN 53 5.264 -3.037 7.143 448 HG2 GLN 53 2HG GLN 53 6.406 -2.527 9.420 449 HG3 GLN 53 3HG GLN 53 4.950 -3.215 10.144 450 HE21 GLN 53 1HE2 GLN 53 7.759 -3.891 8.176 451 HE22 GLN 53 2HE2 GLN 53 7.689 -5.609 8.323 452 H ASN 54 H ASN 54 6.274 -1.065 6.215 453 HA ASN 54 HA ASN 54 8.504 -0.203 7.747 454 HB2 ASN 54 2HB ASN 54 8.029 -0.371 4.761 455 HB3 ASN 54 3HB ASN 54 9.575 0.122 5.446 456 HD21 ASN 54 1HD2 ASN 54 9.004 -2.160 3.791 457 HD22 ASN 54 2HD2 ASN 54 9.472 -3.555 4.694 458 H ARG 55 H ARG 55 6.372 1.534 5.491 459 HA ARG 55 HA ARG 55 7.608 4.051 5.726 460 HB2 ARG 55 2HB ARG 55 4.975 3.084 4.699 461 HB3 ARG 55 3HB ARG 55 5.069 4.789 5.090 462 HG2 ARG 55 2HG ARG 55 5.498 4.471 2.736 463 HG3 ARG 55 3HG ARG 55 6.953 5.065 3.527 464 HD2 ARG 55 2HD ARG 55 6.548 2.118 2.989 465 HD3 ARG 55 3HD ARG 55 7.170 3.194 1.744 466 HE ARG 55 HE ARG 55 8.524 2.707 4.337 467 HH11 ARG 55 1HH1 ARG 55 8.712 3.371 0.933 468 HH12 ARG 55 2HH1 ARG 55 10.424 3.140 0.886 469 HH21 ARG 55 1HH2 ARG 55 10.725 2.386 4.209 470 HH22 ARG 55 2HH2 ARG 55 11.530 2.600 2.697 471 H ARG 56 H ARG 56 5.211 2.473 7.837 472 HA ARG 56 HA ARG 56 4.701 4.729 9.513 473 HB2 ARG 56 2HB ARG 56 4.521 1.744 10.044 474 HB3 ARG 56 3HB ARG 56 4.056 2.946 11.241 475 HG2 ARG 56 2HG ARG 56 2.782 2.493 8.534 476 HG3 ARG 56 3HG ARG 56 2.092 2.115 10.113 477 HD2 ARG 56 2HD ARG 56 2.689 4.873 8.993 478 HD3 ARG 56 3HD ARG 56 1.103 4.151 9.255 479 HE ARG 56 HE ARG 56 1.947 4.109 11.736 480 HH11 ARG 56 1HH1 ARG 56 2.462 6.674 9.448 481 HH12 ARG 56 2HH1 ARG 56 2.506 7.891 10.671 482 HH21 ARG 56 1HH2 ARG 56 2.018 5.719 13.275 483 HH22 ARG 56 2HH2 ARG 56 2.248 7.362 12.787 484 H TYR 57 H TYR 57 7.322 2.472 9.316 485 HA TYR 57 HA TYR 57 8.609 3.234 11.812 486 HB2 TYR 57 2HB TYR 57 8.678 0.914 10.796 487 HB3 TYR 57 3HB TYR 57 9.661 1.556 9.491 488 HD1 TYR 57 HD1 TYR 57 9.610 0.887 13.162 489 HD2 TYR 57 HD2 TYR 57 12.053 1.782 9.773 490 HE1 TYR 57 HE1 TYR 57 11.617 0.344 14.471 491 HE2 TYR 57 HE2 TYR 57 14.063 1.242 11.079 492 HH TYR 57 HH TYR 57 13.958 -0.414 14.024 493 H LYS 58 H LYS 58 8.707 4.157 8.444 494 HA LYS 58 HA LYS 58 11.264 5.572 8.603 495 HB2 LYS 58 2HB LYS 58 9.338 5.142 6.300 496 HB3 LYS 58 3HB LYS 58 10.847 6.027 6.156 497 HG2 LYS 58 2HG LYS 58 10.996 3.218 7.195 498 HG3 LYS 58 3HG LYS 58 10.596 3.426 5.496 499 HD2 LYS 58 2HD LYS 58 12.942 3.105 5.556 500 HD3 LYS 58 3HD LYS 58 12.724 4.829 5.283 501 HE2 LYS 58 2HE LYS 58 13.159 3.779 8.085 502 HE3 LYS 58 3HE LYS 58 14.527 4.006 6.998 503 HZ1 LYS 58 3HZ LYS 58 14.123 6.301 6.878 504 HZ2 LYS 58 1HZ LYS 58 14.005 5.910 8.516 505 HZ3 LYS 58 2HZ LYS 58 12.606 6.180 7.604 506 H THR 59 H THR 59 7.827 6.374 8.636 507 HA THR 59 HA THR 59 8.154 9.186 8.018 508 HB THR 59 HB THR 59 5.736 9.388 8.838 509 HG1 THR 59 HG1 THR 59 5.289 7.739 10.137 510 HG21 THR 59 3HG2 THR 59 6.213 9.103 6.443 511 HG22 THR 59 1HG2 THR 59 4.744 8.240 6.894 512 HG23 THR 59 2HG2 THR 59 6.245 7.348 6.641 513 H LYS 60 H LYS 60 6.699 10.588 9.828 514 HA LYS 60 HA LYS 60 8.387 11.205 11.942 515 HB2 LYS 60 2HB LYS 60 5.372 11.655 11.834 516 HB3 LYS 60 3HB LYS 60 6.500 12.511 12.882 517 HG2 LYS 60 2HG LYS 60 6.366 12.666 9.847 518 HG3 LYS 60 3HG LYS 60 5.879 13.921 10.987 519 HD2 LYS 60 2HD LYS 60 8.716 12.905 10.513 520 HD3 LYS 60 3HD LYS 60 8.060 14.454 9.983 521 HE2 LYS 60 2HE LYS 60 8.478 13.586 12.867 522 HE3 LYS 60 3HE LYS 60 9.480 14.724 11.972 523 HZ1 LYS 60 3HZ LYS 60 6.612 15.122 12.616 524 HZ2 LYS 60 1HZ LYS 60 7.621 16.221 11.824 525 HZ3 LYS 60 2HZ LYS 60 7.902 15.824 13.443 526 H ARG 61 H ARG 61 9.061 9.653 13.303 527 HA ARG 61 HA ARG 61 7.474 7.431 14.164 528 HB2 ARG 61 2HB ARG 61 9.997 7.451 13.668 529 HB3 ARG 61 3HB ARG 61 10.214 8.250 15.218 530 HG2 ARG 61 2HG ARG 61 10.654 5.912 15.532 531 HG3 ARG 61 3HG ARG 61 9.118 6.278 16.324 532 HD2 ARG 61 2HD ARG 61 7.908 5.381 14.316 533 HD3 ARG 61 3HD ARG 61 9.470 4.948 13.607 534 HE ARG 61 HE ARG 61 9.440 3.745 16.078 535 HH11 ARG 61 1HH1 ARG 61 7.378 3.543 13.290 536 HH12 ARG 61 2HH1 ARG 61 7.005 1.880 13.574 537 HH21 ARG 61 1HH2 ARG 61 8.924 1.643 16.414 538 HH22 ARG 61 2HH2 ARG 61 7.858 0.827 15.325 539 H LYS 62 H LYS 62 8.460 10.494 15.597 540 HA LYS 62 HA LYS 62 7.838 9.977 18.316 541 HB2 LYS 62 2HB LYS 62 7.838 12.609 16.789 542 HB3 LYS 62 3HB LYS 62 7.730 12.480 18.542 543 HG2 LYS 62 2HG LYS 62 10.079 11.591 16.831 544 HG3 LYS 62 3HG LYS 62 9.995 13.068 17.794 545 HD2 LYS 62 2HD LYS 62 9.734 11.614 19.856 546 HD3 LYS 62 3HD LYS 62 10.027 10.202 18.833 547 HE2 LYS 62 2HE LYS 62 11.951 12.502 19.327 548 HE3 LYS 62 3HE LYS 62 12.088 10.869 19.974 549 HZ1 LYS 62 3HZ LYS 62 12.347 10.049 17.706 550 HZ2 LYS 62 1HZ LYS 62 13.539 11.182 18.093 551 HZ3 LYS 62 2HZ LYS 62 12.246 11.629 17.105 552 H GLN 63 H GLN 63 5.934 9.634 19.246 553 HA GLN 63 HA GLN 63 3.459 9.609 17.838 554 HB2 GLN 63 2HB GLN 63 4.071 9.304 20.805 555 HB3 GLN 63 3HB GLN 63 2.506 8.963 20.083 556 HG2 GLN 63 2HG GLN 63 5.108 7.497 19.568 557 HG3 GLN 63 3HG GLN 63 3.708 6.883 20.446 558 HE21 GLN 63 1HE2 GLN 63 1.776 6.442 19.226 559 HE22 GLN 63 2HE2 GLN 63 1.856 6.096 17.541 560 H LEU 64 H LEU 64 4.719 11.724 20.393 561 HA LEU 64 HA LEU 64 2.564 13.493 20.714 562 HB2 LEU 64 2HB LEU 64 4.456 13.362 22.266 563 HB3 LEU 64 3HB LEU 64 5.554 13.936 21.025 564 HG LEU 64 HG LEU 64 4.338 16.161 21.063 565 HD11 LEU 64 1HD1 LEU 64 2.184 15.447 21.959 566 HD12 LEU 64 2HD1 LEU 64 2.887 16.714 22.960 567 HD13 LEU 64 3HD1 LEU 64 2.933 15.034 23.503 568 HD21 LEU 64 3HD2 LEU 64 5.399 16.970 23.117 569 HD22 LEU 64 1HD2 LEU 64 6.457 15.842 22.269 570 HD23 LEU 64 2HD2 LEU 64 5.576 15.314 23.704 571 H SER 65 H SER 65 4.970 13.325 18.164 572 HA SER 65 HA SER 65 4.558 16.002 17.136 573 HB2 SER 65 2HB SER 65 6.778 14.953 16.931 574 HB3 SER 65 3HB SER 65 6.101 13.647 15.961 575 HG SER 65 HG SER 65 6.076 16.405 15.243 576 H SER 66 H SER 66 2.166 15.613 17.012 577 HA SER 66 HA SER 66 0.267 15.635 15.825 578 HB2 SER 66 2HB SER 66 1.556 17.052 14.293 579 HB3 SER 66 3HB SER 66 2.107 15.633 13.403 580 HG SER 66 HG SER 66 0.391 15.992 12.236 581 H GLU 67 H GLU 67 -0.926 13.825 16.179 582 HA GLU 67 HA GLU 67 -1.032 11.814 14.071 583 HB2 GLU 67 2HB GLU 67 0.616 10.836 15.667 584 HB3 GLU 67 3HB GLU 67 -0.555 10.985 16.975 585 HG2 GLU 67 2HG GLU 67 -2.037 9.362 15.851 586 HG3 GLU 67 3HG GLU 67 -0.907 9.239 14.505 587 H LEU 68 H LEU 68 -3.047 10.945 13.823 588 HA LEU 68 HA LEU 68 -5.281 12.382 14.701 589 HB2 LEU 68 2HB LEU 68 -6.659 10.774 13.521 590 HB3 LEU 68 3HB LEU 68 -5.254 11.175 12.564 591 HG LEU 68 HG LEU 68 -5.553 8.565 14.124 592 HD11 LEU 68 1HD1 LEU 68 -7.273 8.668 12.399 593 HD12 LEU 68 2HD1 LEU 68 -6.041 7.492 11.949 594 HD13 LEU 68 3HD1 LEU 68 -6.067 9.080 11.176 595 HD21 LEU 68 3HD2 LEU 68 -3.542 9.353 11.980 596 HD22 LEU 68 1HD2 LEU 68 -3.702 7.744 12.697 597 HD23 LEU 68 2HD2 LEU 68 -3.204 9.107 13.694 598 H GLY 69 H GLY 69 -6.531 12.305 16.452 599 HA2 GLY 69 2HA GLY 69 -7.628 10.207 17.828 600 HA3 GLY 69 3HA GLY 69 -6.075 10.434 18.627 Start of MODEL 18 1 H1 MET 1 1H MET 1 38.860 -13.612 2.272 2 H2 MET 1 2H MET 1 39.597 -14.689 1.193 3 H3 MET 1 3H MET 1 38.575 -15.273 2.408 4 HA MET 1 HA MET 1 37.743 -13.511 0.190 5 HB2 MET 1 2HB MET 1 36.599 -15.514 -0.759 6 HB3 MET 1 3HB MET 1 38.342 -15.723 -0.681 7 HG2 MET 1 2HG MET 1 38.123 -17.159 1.286 8 HG3 MET 1 3HG MET 1 36.381 -16.894 1.317 9 HE1 MET 1 3HE MET 1 39.380 -18.540 -0.643 10 HE2 MET 1 1HE MET 1 38.667 -17.505 -1.880 11 HE3 MET 1 2HE MET 1 38.543 -19.257 -2.023 12 H GLY 2 H GLY 2 35.486 -13.070 0.099 13 HA2 GLY 2 2HA GLY 2 33.414 -14.089 1.589 14 HA3 GLY 2 3HA GLY 2 34.113 -12.854 2.624 15 H HIS 3 H HIS 3 31.579 -13.299 0.755 16 HA HIS 3 HA HIS 3 30.991 -10.523 0.521 17 HB2 HIS 3 2HB HIS 3 30.549 -10.480 -1.965 18 HB3 HIS 3 3HB HIS 3 32.252 -10.607 -1.549 19 HD1 HIS 3 HD1 HIS 3 33.484 -12.736 -2.270 20 HD2 HIS 3 HD2 HIS 3 29.469 -12.771 -3.278 21 HE1 HIS 3 HE1 HIS 3 33.201 -14.678 -3.819 22 HE2 HIS 3 HE2 HIS 3 30.734 -14.767 -4.282 23 H HIS 4 H HIS 4 28.854 -10.283 0.895 24 HA HIS 4 HA HIS 4 26.941 -12.371 0.027 25 HB2 HIS 4 2HB HIS 4 27.385 -12.674 2.462 26 HB3 HIS 4 3HB HIS 4 26.896 -11.013 2.764 27 HD1 HIS 4 HD1 HIS 4 25.514 -14.411 2.042 28 HD2 HIS 4 HD2 HIS 4 24.085 -10.570 2.708 29 HE1 HIS 4 HE1 HIS 4 23.056 -14.664 2.418 30 HE2 HIS 4 HE2 HIS 4 22.273 -12.371 3.052 31 H HIS 5 H HIS 5 26.389 -11.082 -1.725 32 HA HIS 5 HA HIS 5 24.646 -8.752 -1.098 33 HB2 HIS 5 2HB HIS 5 26.407 -9.180 -3.559 34 HB3 HIS 5 3HB HIS 5 25.171 -7.931 -3.443 35 HD1 HIS 5 HD1 HIS 5 25.753 -5.821 -2.143 36 HD2 HIS 5 HD2 HIS 5 28.721 -8.721 -1.910 37 HE1 HIS 5 HE1 HIS 5 27.721 -4.687 -1.097 38 HE2 HIS 5 HE2 HIS 5 29.481 -6.463 -0.929 39 H HIS 6 H HIS 6 22.545 -9.060 -1.640 40 HA HIS 6 HA HIS 6 21.871 -10.669 -4.003 41 HB2 HIS 6 2HB HIS 6 20.032 -11.855 -2.837 42 HB3 HIS 6 3HB HIS 6 21.606 -12.273 -2.178 43 HD1 HIS 6 HD1 HIS 6 18.323 -10.863 -1.246 44 HD2 HIS 6 HD2 HIS 6 22.088 -11.230 0.474 45 HE1 HIS 6 HE1 HIS 6 17.992 -10.450 1.198 46 HE2 HIS 6 HE2 HIS 6 20.239 -10.848 2.229 47 H HIS 7 H HIS 7 20.258 -9.850 -5.184 48 HA HIS 7 HA HIS 7 19.410 -7.159 -4.758 49 HB2 HIS 7 2HB HIS 7 18.513 -9.187 -6.847 50 HB3 HIS 7 3HB HIS 7 18.170 -7.462 -6.902 51 HD1 HIS 7 HD1 HIS 7 20.435 -9.861 -8.244 52 HD2 HIS 7 HD2 HIS 7 20.787 -5.916 -6.978 53 HE1 HIS 7 HE1 HIS 7 22.499 -8.977 -9.352 54 HE2 HIS 7 HE2 HIS 7 22.784 -6.659 -8.437 55 H HIS 8 H HIS 8 17.146 -6.436 -4.945 56 HA HIS 8 HA HIS 8 15.028 -8.349 -4.181 57 HB2 HIS 8 2HB HIS 8 15.519 -5.642 -2.855 58 HB3 HIS 8 3HB HIS 8 13.987 -6.508 -2.741 59 HD1 HIS 8 HD1 HIS 8 13.973 -8.700 -1.328 60 HD2 HIS 8 HD2 HIS 8 17.548 -6.599 -1.161 61 HE1 HIS 8 HE1 HIS 8 15.196 -9.619 0.649 62 HE2 HIS 8 HE2 HIS 8 17.245 -8.195 0.842 63 H SER 9 H SER 9 13.390 -8.217 -5.605 64 HA SER 9 HA SER 9 13.195 -6.202 -7.619 65 HB2 SER 9 2HB SER 9 11.160 -8.307 -6.777 66 HB3 SER 9 3HB SER 9 11.086 -7.345 -8.255 67 HG SER 9 HG SER 9 12.479 -8.637 -9.144 68 H HIS 10 H HIS 10 13.111 -4.253 -6.416 69 HA HIS 10 HA HIS 10 11.015 -3.700 -4.496 70 HB2 HIS 10 2HB HIS 10 13.178 -1.963 -5.754 71 HB3 HIS 10 3HB HIS 10 12.001 -1.333 -4.604 72 HD1 HIS 10 HD1 HIS 10 11.982 -2.808 -2.229 73 HD2 HIS 10 HD2 HIS 10 15.454 -2.831 -4.505 74 HE1 HIS 10 HE1 HIS 10 13.806 -3.465 -0.657 75 HE2 HIS 10 HE2 HIS 10 15.912 -3.344 -2.024 76 H MET 11 H MET 11 9.570 -1.831 -4.710 77 HA MET 11 HA MET 11 7.998 -1.878 -7.095 78 HB2 MET 11 2HB MET 11 7.798 -0.009 -4.695 79 HB3 MET 11 3HB MET 11 6.534 -0.297 -5.891 80 HG2 MET 11 2HG MET 11 6.306 -2.603 -5.156 81 HG3 MET 11 3HG MET 11 7.667 -2.420 -4.045 82 HE1 MET 11 3HE MET 11 5.050 -3.614 -2.865 83 HE2 MET 11 1HE MET 11 4.822 -2.626 -1.425 84 HE3 MET 11 2HE MET 11 6.440 -3.166 -1.871 85 H SER 12 H SER 12 7.255 0.170 -8.192 86 HA SER 12 HA SER 12 9.522 1.718 -9.188 87 HB2 SER 12 2HB SER 12 7.932 0.969 -10.868 88 HB3 SER 12 3HB SER 12 6.575 1.627 -9.961 89 HG SER 12 HG SER 12 8.297 2.882 -11.695 90 H HIS 13 H HIS 13 9.519 4.103 -9.218 91 HA HIS 13 HA HIS 13 8.889 5.369 -6.774 92 HB2 HIS 13 2HB HIS 13 10.687 6.218 -8.233 93 HB3 HIS 13 3HB HIS 13 9.515 6.641 -9.477 94 HD1 HIS 13 HD1 HIS 13 10.540 7.676 -5.973 95 HD2 HIS 13 HD2 HIS 13 8.374 9.160 -9.196 96 HE1 HIS 13 HE1 HIS 13 10.021 10.056 -5.398 97 HE2 HIS 13 HE2 HIS 13 8.780 10.954 -7.386 98 H THR 14 H THR 14 7.204 5.383 -9.922 99 HA THR 14 HA THR 14 5.110 7.201 -9.279 100 HB THR 14 HB THR 14 5.117 4.925 -11.329 101 HG1 THR 14 HG1 THR 14 6.510 6.162 -12.310 102 HG21 THR 14 3HG2 THR 14 3.411 6.257 -12.527 103 HG22 THR 14 1HG2 THR 14 3.414 7.456 -11.237 104 HG23 THR 14 2HG2 THR 14 2.830 5.818 -10.920 105 H GLN 15 H GLN 15 5.483 3.715 -8.974 106 HA GLN 15 HA GLN 15 2.862 3.012 -8.147 107 HB2 GLN 15 2HB GLN 15 4.468 1.425 -9.088 108 HB3 GLN 15 3HB GLN 15 5.547 1.653 -7.718 109 HG2 GLN 15 2HG GLN 15 3.969 0.556 -6.231 110 HG3 GLN 15 3HG GLN 15 2.765 0.463 -7.523 111 HE21 GLN 15 1HE2 GLN 15 2.673 -1.772 -7.460 112 HE22 GLN 15 2HE2 GLN 15 3.957 -2.775 -8.009 113 H VAL 16 H VAL 16 5.797 3.883 -6.302 114 HA VAL 16 HA VAL 16 4.702 3.570 -3.706 115 HB VAL 16 HB VAL 16 6.992 5.382 -4.614 116 HG11 VAL 16 1HG1 VAL 16 6.099 6.192 -2.465 117 HG12 VAL 16 2HG1 VAL 16 7.684 5.461 -2.224 118 HG13 VAL 16 3HG1 VAL 16 6.225 4.573 -1.771 119 HG21 VAL 16 3HG2 VAL 16 7.080 2.615 -3.315 120 HG22 VAL 16 1HG2 VAL 16 8.481 3.598 -3.758 121 HG23 VAL 16 2HG2 VAL 16 7.415 2.968 -5.011 122 H ILE 17 H ILE 17 4.709 6.326 -5.983 123 HA ILE 17 HA ILE 17 3.511 8.283 -4.346 124 HB ILE 17 HB ILE 17 3.257 7.866 -7.364 125 HG12 ILE 17 2HG1 ILE 17 5.025 9.810 -5.788 126 HG13 ILE 17 3HG1 ILE 17 5.579 8.308 -6.517 127 HG21 ILE 17 1HG2 ILE 17 1.359 9.228 -6.601 128 HG22 ILE 17 2HG2 ILE 17 2.489 10.228 -7.510 129 HG23 ILE 17 3HG2 ILE 17 2.453 10.321 -5.747 130 HD11 ILE 17 3HD1 ILE 17 5.083 9.189 -8.738 131 HD12 ILE 17 1HD1 ILE 17 6.190 10.237 -7.852 132 HD13 ILE 17 2HD1 ILE 17 4.495 10.691 -8.017 133 H GLU 18 H GLU 18 2.026 5.820 -6.461 134 HA GLU 18 HA GLU 18 -0.695 6.269 -5.975 135 HB2 GLU 18 2HB GLU 18 0.800 3.678 -6.524 136 HB3 GLU 18 3HB GLU 18 -0.950 3.839 -6.619 137 HG2 GLU 18 2HG GLU 18 0.928 5.505 -8.318 138 HG3 GLU 18 3HG GLU 18 0.379 3.906 -8.809 139 H LEU 19 H LEU 19 1.530 4.034 -4.296 140 HA LEU 19 HA LEU 19 -0.125 3.056 -2.272 141 HB2 LEU 19 2HB LEU 19 2.858 3.575 -2.415 142 HB3 LEU 19 3HB LEU 19 2.134 2.829 -1.006 143 HG LEU 19 HG LEU 19 1.823 1.605 -3.769 144 HD11 LEU 19 1HD1 LEU 19 3.709 0.121 -3.268 145 HD12 LEU 19 2HD1 LEU 19 4.044 1.022 -1.787 146 HD13 LEU 19 3HD1 LEU 19 4.225 1.804 -3.358 147 HD21 LEU 19 3HD2 LEU 19 0.261 0.823 -2.025 148 HD22 LEU 19 1HD2 LEU 19 1.621 0.395 -0.983 149 HD23 LEU 19 2HD2 LEU 19 1.370 -0.454 -2.511 150 H GLU 20 H GLU 20 1.795 6.058 -2.371 151 HA GLU 20 HA GLU 20 1.272 6.896 0.314 152 HB2 GLU 20 2HB GLU 20 2.399 8.391 -2.075 153 HB3 GLU 20 3HB GLU 20 2.220 9.122 -0.480 154 HG2 GLU 20 2HG GLU 20 3.745 7.399 0.458 155 HG3 GLU 20 3HG GLU 20 3.954 6.718 -1.154 156 H ARG 21 H ARG 21 -0.335 7.435 -2.772 157 HA ARG 21 HA ARG 21 -2.114 9.495 -1.996 158 HB2 ARG 21 2HB ARG 21 -2.377 7.296 -4.090 159 HB3 ARG 21 3HB ARG 21 -3.581 8.567 -3.886 160 HG2 ARG 21 2HG ARG 21 -1.932 10.279 -4.441 161 HG3 ARG 21 3HG ARG 21 -0.659 9.065 -4.539 162 HD2 ARG 21 2HD ARG 21 -1.726 8.049 -6.488 163 HD3 ARG 21 3HD ARG 21 -3.098 9.160 -6.349 164 HE ARG 21 HE ARG 21 -0.754 10.679 -6.558 165 HH11 ARG 21 1HH1 ARG 21 -2.529 8.528 -8.608 166 HH12 ARG 21 2HH1 ARG 21 -2.107 9.394 -10.044 167 HH21 ARG 21 1HH2 ARG 21 -0.233 11.749 -8.405 168 HH22 ARG 21 2HH2 ARG 21 -0.825 11.185 -9.929 169 H LYS 22 H LYS 22 -2.208 5.990 -1.597 170 HA LYS 22 HA LYS 22 -4.793 5.911 -0.294 171 HB2 LYS 22 2HB LYS 22 -3.839 3.998 -1.610 172 HB3 LYS 22 3HB LYS 22 -2.573 3.813 -0.402 173 HG2 LYS 22 2HG LYS 22 -4.252 2.135 0.001 174 HG3 LYS 22 3HG LYS 22 -4.335 3.322 1.307 175 HD2 LYS 22 2HD LYS 22 -6.272 4.418 0.149 176 HD3 LYS 22 3HD LYS 22 -6.206 3.167 -1.095 177 HE2 LYS 22 2HE LYS 22 -6.722 1.449 0.584 178 HE3 LYS 22 3HE LYS 22 -6.730 2.676 1.856 179 HZ1 LYS 22 3HZ LYS 22 -8.570 3.758 0.679 180 HZ2 LYS 22 1HZ LYS 22 -8.953 2.195 1.193 181 HZ3 LYS 22 2HZ LYS 22 -8.602 2.488 -0.434 182 H PHE 23 H PHE 23 -1.406 5.961 0.720 183 HA PHE 23 HA PHE 23 -1.654 5.472 3.483 184 HB2 PHE 23 2HB PHE 23 0.438 5.337 2.062 185 HB3 PHE 23 3HB PHE 23 0.502 7.089 2.072 186 HD1 PHE 23 HD2 PHE 23 0.635 4.087 4.299 187 HD2 PHE 23 HD1 PHE 23 1.617 8.230 3.871 188 HE1 PHE 23 HE2 PHE 23 2.024 3.964 6.318 189 HE2 PHE 23 HE1 PHE 23 3.007 8.097 5.891 190 HZ PHE 23 HZ PHE 23 3.215 5.967 7.115 191 H SER 24 H SER 24 -1.818 8.449 1.598 192 HA SER 24 HA SER 24 -1.891 10.412 3.540 193 HB2 SER 24 2HB SER 24 -3.346 10.255 0.874 194 HB3 SER 24 3HB SER 24 -3.255 11.726 1.850 195 HG SER 24 HG SER 24 -1.370 10.552 0.240 196 H HIS 25 H HIS 25 -4.543 8.276 2.465 197 HA HIS 25 HA HIS 25 -6.515 9.528 4.185 198 HB2 HIS 25 2HB HIS 25 -6.628 6.924 2.596 199 HB3 HIS 25 3HB HIS 25 -8.001 7.678 3.410 200 HD1 HIS 25 HD1 HIS 25 -8.765 10.042 2.404 201 HD2 HIS 25 HD2 HIS 25 -6.153 7.852 0.060 202 HE1 HIS 25 HE1 HIS 25 -8.883 11.079 0.135 203 HE2 HIS 25 HE2 HIS 25 -7.126 9.875 -1.192 204 H GLN 26 H GLN 26 -4.589 6.512 4.212 205 HA GLN 26 HA GLN 26 -5.009 6.170 7.092 206 HB2 GLN 26 2HB GLN 26 -5.857 3.842 6.845 207 HB3 GLN 26 3HB GLN 26 -6.960 5.035 6.170 208 HG2 GLN 26 2HG GLN 26 -6.025 4.501 3.888 209 HG3 GLN 26 3HG GLN 26 -5.099 3.201 4.639 210 HE21 GLN 26 1HE2 GLN 26 -6.252 1.389 5.453 211 HE22 GLN 26 2HE2 GLN 26 -7.838 1.020 4.894 212 H LYS 27 H LYS 27 -3.344 5.193 8.091 213 HA LYS 27 HA LYS 27 -0.838 4.985 6.719 214 HB2 LYS 27 2HB LYS 27 -1.536 4.362 9.613 215 HB3 LYS 27 3HB LYS 27 0.096 4.582 8.978 216 HG2 LYS 27 2HG LYS 27 -2.085 6.686 9.183 217 HG3 LYS 27 3HG LYS 27 -0.590 6.604 10.123 218 HD2 LYS 27 2HD LYS 27 0.719 6.965 8.028 219 HD3 LYS 27 3HD LYS 27 -0.786 7.082 7.113 220 HE2 LYS 27 2HE LYS 27 0.074 9.310 7.563 221 HE3 LYS 27 3HE LYS 27 -1.422 9.069 8.468 222 HZ1 LYS 27 3HZ LYS 27 0.214 10.136 9.829 223 HZ2 LYS 27 1HZ LYS 27 1.337 8.905 9.540 224 HZ3 LYS 27 2HZ LYS 27 -0.065 8.582 10.427 225 H TYR 28 H TYR 28 -3.190 2.638 7.593 226 HA TYR 28 HA TYR 28 -1.680 0.520 6.306 227 HB2 TYR 28 2HB TYR 28 -2.237 -1.113 8.245 228 HB3 TYR 28 3HB TYR 28 -0.889 -0.015 8.483 229 HD1 TYR 28 HD1 TYR 28 -4.358 -0.803 9.563 230 HD2 TYR 28 HD2 TYR 28 -0.989 1.771 10.162 231 HE1 TYR 28 HE1 TYR 28 -5.335 0.006 11.670 232 HE2 TYR 28 HE2 TYR 28 -1.967 2.572 12.252 233 HH TYR 28 HH TYR 28 -4.490 1.075 13.825 234 H LEU 29 H LEU 29 -3.107 -1.426 5.899 235 HA LEU 29 HA LEU 29 -5.844 -0.434 5.275 236 HB2 LEU 29 2HB LEU 29 -4.280 -2.552 3.753 237 HB3 LEU 29 3HB LEU 29 -5.794 -1.804 3.273 238 HG LEU 29 HG LEU 29 -3.012 -0.576 3.247 239 HD11 LEU 29 1HD1 LEU 29 -3.460 -0.214 0.879 240 HD12 LEU 29 2HD1 LEU 29 -5.064 -0.932 1.048 241 HD13 LEU 29 3HD1 LEU 29 -3.624 -1.919 1.297 242 HD21 LEU 29 3HD2 LEU 29 -4.018 1.549 2.513 243 HD22 LEU 29 1HD2 LEU 29 -4.469 1.143 4.166 244 HD23 LEU 29 2HD2 LEU 29 -5.626 0.908 2.857 245 H SER 30 H SER 30 -7.626 -1.888 5.332 246 HA SER 30 HA SER 30 -7.444 -4.299 6.971 247 HB2 SER 30 2HB SER 30 -9.782 -3.164 5.367 248 HB3 SER 30 3HB SER 30 -9.886 -4.521 6.491 249 HG SER 30 HG SER 30 -10.368 -2.954 7.832 250 H ALA 31 H ALA 31 -8.418 -6.393 5.989 251 HA ALA 31 HA ALA 31 -6.887 -7.344 3.886 252 HB1 ALA 31 3HB ALA 31 -8.255 -9.355 3.917 253 HB2 ALA 31 1HB ALA 31 -9.522 -8.509 4.815 254 HB3 ALA 31 2HB ALA 31 -7.953 -8.795 5.560 255 HA PRO 32 HA PRO 32 -10.679 -6.597 0.720 256 HB2 PRO 32 2HB PRO 32 -12.101 -4.256 1.421 257 HB3 PRO 32 3HB PRO 32 -12.688 -5.920 1.619 258 HG2 PRO 32 2HG PRO 32 -11.388 -4.122 3.638 259 HG3 PRO 32 3HG PRO 32 -12.769 -5.226 3.837 260 HD2 PRO 32 2HD PRO 32 -10.350 -5.909 4.731 261 HD3 PRO 32 3HD PRO 32 -11.390 -7.130 3.963 262 H GLU 33 H GLU 33 -9.472 -3.654 2.430 263 HA GLU 33 HA GLU 33 -9.023 -2.075 0.116 264 HB2 GLU 33 2HB GLU 33 -7.694 -1.820 2.850 265 HB3 GLU 33 3HB GLU 33 -7.785 -0.555 1.626 266 HG2 GLU 33 2HG GLU 33 -10.143 -1.761 3.118 267 HG3 GLU 33 3HG GLU 33 -9.386 -0.211 3.475 268 H ARG 34 H ARG 34 -6.979 -4.317 1.875 269 HA ARG 34 HA ARG 34 -4.448 -3.608 0.797 270 HB2 ARG 34 2HB ARG 34 -4.823 -4.799 2.957 271 HB3 ARG 34 3HB ARG 34 -5.371 -6.216 2.072 272 HG2 ARG 34 2HG ARG 34 -3.107 -6.438 1.072 273 HG3 ARG 34 3HG ARG 34 -2.577 -5.025 1.995 274 HD2 ARG 34 2HD ARG 34 -1.901 -7.137 3.089 275 HD3 ARG 34 3HD ARG 34 -3.008 -6.204 4.103 276 HE ARG 34 HE ARG 34 -4.007 -8.413 2.413 277 HH11 ARG 34 1HH1 ARG 34 -3.675 -7.053 5.588 278 HH12 ARG 34 2HH1 ARG 34 -4.692 -8.250 6.305 279 HH21 ARG 34 1HH2 ARG 34 -5.287 -9.907 3.354 280 HH22 ARG 34 2HH2 ARG 34 -5.586 -9.856 5.059 281 H ALA 35 H ALA 35 -6.746 -6.236 0.060 282 HA ALA 35 HA ALA 35 -5.389 -7.380 -2.149 283 HB1 ALA 35 3HB ALA 35 -7.524 -8.523 -2.598 284 HB2 ALA 35 1HB ALA 35 -8.354 -7.431 -1.479 285 HB3 ALA 35 2HB ALA 35 -7.141 -8.560 -0.877 286 H HIS 36 H HIS 36 -7.914 -4.896 -1.921 287 HA HIS 36 HA HIS 36 -8.472 -4.528 -4.657 288 HB2 HIS 36 2HB HIS 36 -9.940 -3.727 -2.825 289 HB3 HIS 36 3HB HIS 36 -8.727 -2.545 -2.350 290 HD1 HIS 36 HD1 HIS 36 -11.196 -3.260 -5.126 291 HD2 HIS 36 HD2 HIS 36 -8.780 -0.164 -3.789 292 HE1 HIS 36 HE1 HIS 36 -11.872 -1.255 -6.460 293 HE2 HIS 36 HE2 HIS 36 -10.322 0.573 -5.714 294 H LEU 37 H LEU 37 -6.170 -2.837 -2.499 295 HA LEU 37 HA LEU 37 -5.177 -1.008 -4.457 296 HB2 LEU 37 2HB LEU 37 -4.997 -0.699 -1.966 297 HB3 LEU 37 3HB LEU 37 -3.792 -1.979 -1.926 298 HG LEU 37 HG LEU 37 -2.341 -0.569 -3.464 299 HD11 LEU 37 1HD1 LEU 37 -4.373 1.612 -2.903 300 HD12 LEU 37 2HD1 LEU 37 -4.084 0.828 -4.458 301 HD13 LEU 37 3HD1 LEU 37 -2.821 1.814 -3.728 302 HD21 LEU 37 3HD2 LEU 37 -1.566 0.976 -1.735 303 HD22 LEU 37 1HD2 LEU 37 -1.914 -0.615 -1.063 304 HD23 LEU 37 2HD2 LEU 37 -3.048 0.714 -0.810 305 H ALA 38 H ALA 38 -4.072 -4.164 -3.259 306 HA ALA 38 HA ALA 38 -1.623 -4.412 -4.550 307 HB1 ALA 38 3HB ALA 38 -1.872 -6.834 -4.225 308 HB2 ALA 38 1HB ALA 38 -3.600 -6.624 -3.909 309 HB3 ALA 38 2HB ALA 38 -2.408 -5.943 -2.801 310 H LYS 39 H LYS 39 -4.826 -5.545 -5.764 311 HA LYS 39 HA LYS 39 -3.859 -6.544 -8.234 312 HB2 LYS 39 2HB LYS 39 -6.217 -6.671 -8.930 313 HB3 LYS 39 3HB LYS 39 -6.001 -7.280 -7.294 314 HG2 LYS 39 2HG LYS 39 -6.856 -5.105 -6.403 315 HG3 LYS 39 3HG LYS 39 -7.155 -4.572 -8.058 316 HD2 LYS 39 2HD LYS 39 -8.444 -6.996 -6.740 317 HD3 LYS 39 3HD LYS 39 -9.205 -5.412 -6.905 318 HE2 LYS 39 2HE LYS 39 -8.311 -7.164 -9.223 319 HE3 LYS 39 3HE LYS 39 -9.968 -7.022 -8.637 320 HZ1 LYS 39 3HZ LYS 39 -8.334 -4.831 -9.786 321 HZ2 LYS 39 1HZ LYS 39 -9.909 -4.669 -9.192 322 HZ3 LYS 39 2HZ LYS 39 -9.612 -5.632 -10.546 323 H ASN 40 H ASN 40 -5.010 -3.306 -7.321 324 HA ASN 40 HA ASN 40 -5.093 -2.145 -9.919 325 HB2 ASN 40 2HB ASN 40 -4.661 -0.865 -7.191 326 HB3 ASN 40 3HB ASN 40 -4.859 0.064 -8.674 327 HD21 ASN 40 1HD2 ASN 40 -6.506 0.018 -6.272 328 HD22 ASN 40 2HD2 ASN 40 -8.096 -0.400 -6.798 329 H LEU 41 H LEU 41 -2.482 -2.378 -7.505 330 HA LEU 41 HA LEU 41 -0.601 -0.943 -9.277 331 HB2 LEU 41 2HB LEU 41 -0.200 -1.783 -6.383 332 HB3 LEU 41 3HB LEU 41 0.819 -0.692 -7.315 333 HG LEU 41 HG LEU 41 -1.994 -0.161 -6.274 334 HD11 LEU 41 1HD1 LEU 41 -0.223 0.149 -4.627 335 HD12 LEU 41 2HD1 LEU 41 -0.944 1.695 -5.066 336 HD13 LEU 41 3HD1 LEU 41 0.634 1.242 -5.718 337 HD21 LEU 41 3HD2 LEU 41 -0.395 1.589 -8.176 338 HD22 LEU 41 1HD2 LEU 41 -1.884 2.061 -7.355 339 HD23 LEU 41 2HD2 LEU 41 -1.910 0.756 -8.536 340 H LYS 42 H LYS 42 -1.508 -4.003 -9.197 341 HA LYS 42 HA LYS 42 -0.681 -6.013 -9.736 342 HB2 LYS 42 2HB LYS 42 1.493 -4.245 -10.915 343 HB3 LYS 42 3HB LYS 42 1.523 -5.991 -11.117 344 HG2 LYS 42 2HG LYS 42 0.540 -5.056 -13.086 345 HG3 LYS 42 3HG LYS 42 -0.731 -5.873 -12.191 346 HD2 LYS 42 2HD LYS 42 -1.370 -3.563 -11.266 347 HD3 LYS 42 3HD LYS 42 -0.270 -2.877 -12.463 348 HE2 LYS 42 2HE LYS 42 -2.729 -4.572 -13.024 349 HE3 LYS 42 3HE LYS 42 -2.575 -2.836 -13.284 350 HZ1 LYS 42 3HZ LYS 42 -0.939 -4.886 -14.658 351 HZ2 LYS 42 1HZ LYS 42 -0.961 -3.228 -14.980 352 HZ3 LYS 42 2HZ LYS 42 -2.323 -4.174 -15.310 353 H LEU 43 H LEU 43 0.007 -4.888 -7.105 354 HA LEU 43 HA LEU 43 2.408 -6.359 -6.264 355 HB2 LEU 43 2HB LEU 43 0.449 -4.575 -4.751 356 HB3 LEU 43 3HB LEU 43 1.842 -5.352 -4.007 357 HG LEU 43 HG LEU 43 2.009 -3.298 -6.247 358 HD11 LEU 43 1HD1 LEU 43 1.175 -2.233 -4.216 359 HD12 LEU 43 2HD1 LEU 43 2.829 -1.725 -4.544 360 HD13 LEU 43 3HD1 LEU 43 2.507 -2.917 -3.281 361 HD21 LEU 43 3HD2 LEU 43 3.906 -4.858 -6.252 362 HD22 LEU 43 1HD2 LEU 43 4.204 -4.530 -4.542 363 HD23 LEU 43 2HD2 LEU 43 4.416 -3.253 -5.742 364 H THR 44 H THR 44 2.058 -7.567 -4.082 365 HA THR 44 HA THR 44 -0.433 -9.193 -4.088 366 HB THR 44 HB THR 44 0.765 -10.865 -2.757 367 HG1 THR 44 HG1 THR 44 3.240 -10.272 -2.658 368 HG21 THR 44 3HG2 THR 44 2.518 -11.590 -4.344 369 HG22 THR 44 1HG2 THR 44 2.494 -9.994 -5.101 370 HG23 THR 44 2HG2 THR 44 1.077 -11.041 -5.200 371 H GLU 45 H GLU 45 -1.243 -9.748 -1.872 372 HA GLU 45 HA GLU 45 -1.674 -7.491 -0.221 373 HB2 GLU 45 2HB GLU 45 -2.081 -10.452 0.377 374 HB3 GLU 45 3HB GLU 45 -2.661 -9.143 1.407 375 HG2 GLU 45 2HG GLU 45 -4.009 -8.298 -0.543 376 HG3 GLU 45 3HG GLU 45 -3.535 -9.747 -1.434 377 H THR 46 H THR 46 0.789 -9.989 -0.134 378 HA THR 46 HA THR 46 1.919 -9.490 2.414 379 HB THR 46 HB THR 46 3.357 -10.427 -0.123 380 HG1 THR 46 HG1 THR 46 2.647 -12.416 0.361 381 HG21 THR 46 3HG2 THR 46 4.949 -11.516 1.455 382 HG22 THR 46 1HG2 THR 46 4.090 -10.804 2.816 383 HG23 THR 46 2HG2 THR 46 4.941 -9.764 1.671 384 H GLN 47 H GLN 47 2.834 -8.287 -0.834 385 HA GLN 47 HA GLN 47 4.935 -6.583 -0.131 386 HB2 GLN 47 2HB GLN 47 3.042 -6.493 -2.510 387 HB3 GLN 47 3HB GLN 47 4.477 -5.475 -2.379 388 HG2 GLN 47 2HG GLN 47 5.922 -7.439 -2.359 389 HG3 GLN 47 3HG GLN 47 4.517 -8.509 -2.378 390 HE21 GLN 47 1HE2 GLN 47 6.367 -6.201 -4.263 391 HE22 GLN 47 2HE2 GLN 47 5.769 -6.710 -5.797 392 H VAL 48 H VAL 48 1.496 -5.763 -0.617 393 HA VAL 48 HA VAL 48 1.631 -2.987 -0.161 394 HB VAL 48 HB VAL 48 -0.682 -4.937 0.286 395 HG11 VAL 48 1HG1 VAL 48 -2.196 -2.968 0.215 396 HG12 VAL 48 2HG1 VAL 48 -0.794 -1.894 0.198 397 HG13 VAL 48 3HG1 VAL 48 -1.108 -2.909 1.605 398 HG21 VAL 48 3HG2 VAL 48 -0.072 -3.070 -2.047 399 HG22 VAL 48 1HG2 VAL 48 -1.498 -4.105 -1.902 400 HG23 VAL 48 2HG2 VAL 48 0.104 -4.825 -2.050 401 H LYS 49 H LYS 49 0.882 -5.643 2.138 402 HA LYS 49 HA LYS 49 0.521 -4.103 4.465 403 HB2 LYS 49 2HB LYS 49 -0.155 -6.469 4.236 404 HB3 LYS 49 3HB LYS 49 1.530 -6.968 4.200 405 HG2 LYS 49 2HG LYS 49 1.834 -6.284 6.527 406 HG3 LYS 49 3HG LYS 49 0.211 -5.588 6.572 407 HD2 LYS 49 2HD LYS 49 0.297 -7.787 7.704 408 HD3 LYS 49 3HD LYS 49 -0.796 -7.810 6.318 409 HE2 LYS 49 2HE LYS 49 0.540 -9.868 6.403 410 HE3 LYS 49 3HE LYS 49 0.961 -8.936 4.967 411 HZ1 LYS 49 3HZ LYS 49 2.503 -8.973 7.501 412 HZ2 LYS 49 1HZ LYS 49 2.929 -8.131 6.099 413 HZ3 LYS 49 2HZ LYS 49 2.907 -9.824 6.099 414 H ILE 50 H ILE 50 3.479 -5.534 3.096 415 HA ILE 50 HA ILE 50 5.321 -4.888 5.124 416 HB ILE 50 HB ILE 50 5.742 -5.266 2.124 417 HG12 ILE 50 2HG1 ILE 50 6.369 -7.137 4.473 418 HG13 ILE 50 3HG1 ILE 50 4.964 -7.278 3.423 419 HG21 ILE 50 1HG2 ILE 50 7.888 -5.004 4.278 420 HG22 ILE 50 2HG2 ILE 50 7.590 -3.877 2.954 421 HG23 ILE 50 3HG2 ILE 50 8.186 -5.498 2.608 422 HD11 ILE 50 3HD1 ILE 50 6.675 -8.868 2.814 423 HD12 ILE 50 1HD1 ILE 50 7.839 -7.567 2.570 424 HD13 ILE 50 2HD1 ILE 50 6.429 -7.703 1.514 425 H TRP 51 H TRP 51 4.482 -3.048 2.125 426 HA TRP 51 HA TRP 51 6.242 -0.898 2.592 427 HB2 TRP 51 2HB TRP 51 5.198 -1.274 0.369 428 HB3 TRP 51 3HB TRP 51 3.632 -0.793 1.018 429 HD1 TRP 51 HD1 TRP 51 7.038 0.730 0.023 430 HE1 TRP 51 HE1 TRP 51 6.784 3.261 -0.241 431 HE3 TRP 51 HE3 TRP 51 2.314 1.249 1.826 432 HZ2 TRP 51 HZ2 TRP 51 4.863 5.224 0.273 433 HZ3 TRP 51 HZ3 TRP 51 1.340 3.496 1.942 434 HH2 TRP 51 HH2 TRP 51 2.591 5.451 1.180 435 H PHE 52 H PHE 52 2.701 -1.077 3.291 436 HA PHE 52 HA PHE 52 2.488 1.423 4.543 437 HB2 PHE 52 2HB PHE 52 0.807 -1.087 4.703 438 HB3 PHE 52 3HB PHE 52 0.429 0.277 5.752 439 HD1 PHE 52 HD1 PHE 52 0.617 -0.807 2.202 440 HD2 PHE 52 HD2 PHE 52 -0.551 2.318 4.862 441 HE1 PHE 52 HE1 PHE 52 -0.551 0.323 0.379 442 HE2 PHE 52 HE2 PHE 52 -1.733 3.437 3.031 443 HZ PHE 52 HZ PHE 52 -1.731 2.445 0.779 444 H GLN 53 H GLN 53 3.509 -1.680 5.960 445 HA GLN 53 HA GLN 53 3.602 -0.778 8.675 446 HB2 GLN 53 2HB GLN 53 3.593 -3.183 8.066 447 HB3 GLN 53 3HB GLN 53 5.180 -3.013 7.321 448 HG2 GLN 53 2HG GLN 53 6.165 -2.481 9.522 449 HG3 GLN 53 3HG GLN 53 4.576 -2.612 10.274 450 HE21 GLN 53 1HE2 GLN 53 3.652 -4.703 10.531 451 HE22 GLN 53 2HE2 GLN 53 4.612 -6.130 10.411 452 H ASN 54 H ASN 54 6.294 -1.256 6.332 453 HA ASN 54 HA ASN 54 8.320 -0.117 7.929 454 HB2 ASN 54 2HB ASN 54 8.176 -0.747 4.967 455 HB3 ASN 54 3HB ASN 54 9.603 0.020 5.652 456 HD21 ASN 54 1HD2 ASN 54 7.745 -2.913 5.508 457 HD22 ASN 54 2HD2 ASN 54 8.908 -3.929 6.266 458 H ARG 55 H ARG 55 6.225 1.394 5.509 459 HA ARG 55 HA ARG 55 7.528 3.840 5.220 460 HB2 ARG 55 2HB ARG 55 5.502 2.892 3.898 461 HB3 ARG 55 3HB ARG 55 4.500 3.614 5.150 462 HG2 ARG 55 2HG ARG 55 4.622 5.137 3.280 463 HG3 ARG 55 3HG ARG 55 5.517 5.842 4.631 464 HD2 ARG 55 2HD ARG 55 7.646 5.124 3.636 465 HD3 ARG 55 3HD ARG 55 6.782 4.308 2.317 466 HE ARG 55 HE ARG 55 5.909 6.834 2.091 467 HH11 ARG 55 1HH1 ARG 55 9.137 5.605 2.350 468 HH12 ARG 55 2HH1 ARG 55 9.806 6.892 1.412 469 HH21 ARG 55 1HH2 ARG 55 6.796 8.465 0.923 470 HH22 ARG 55 2HH2 ARG 55 8.496 8.484 0.611 471 H ARG 56 H ARG 56 5.074 2.888 7.619 472 HA ARG 56 HA ARG 56 4.900 5.323 9.070 473 HB2 ARG 56 2HB ARG 56 4.560 2.445 10.012 474 HB3 ARG 56 3HB ARG 56 4.056 3.869 10.928 475 HG2 ARG 56 2HG ARG 56 2.410 4.443 9.220 476 HG3 ARG 56 3HG ARG 56 2.978 3.129 8.184 477 HD2 ARG 56 2HD ARG 56 0.892 2.530 9.363 478 HD3 ARG 56 3HD ARG 56 2.233 1.469 9.818 479 HE ARG 56 HE ARG 56 1.780 3.755 11.552 480 HH11 ARG 56 1HH1 ARG 56 1.135 0.382 11.088 481 HH12 ARG 56 2HH1 ARG 56 0.774 0.138 12.761 482 HH21 ARG 56 1HH2 ARG 56 1.313 3.395 13.650 483 HH22 ARG 56 2HH2 ARG 56 0.844 1.817 14.173 484 H TYR 57 H TYR 57 7.201 2.681 9.149 485 HA TYR 57 HA TYR 57 8.736 3.600 11.403 486 HB2 TYR 57 2HB TYR 57 8.661 1.226 10.800 487 HB3 TYR 57 3HB TYR 57 9.324 1.573 9.211 488 HD1 TYR 57 HD1 TYR 57 10.161 1.597 12.863 489 HD2 TYR 57 HD2 TYR 57 11.700 1.613 8.867 490 HE1 TYR 57 HE1 TYR 57 12.425 1.184 13.728 491 HE2 TYR 57 HE2 TYR 57 13.951 1.205 9.737 492 HH TYR 57 HH TYR 57 14.540 0.223 12.914 493 H LYS 58 H LYS 58 8.786 4.216 7.935 494 HA LYS 58 HA LYS 58 11.364 5.533 7.864 495 HB2 LYS 58 2HB LYS 58 9.103 5.436 5.828 496 HB3 LYS 58 3HB LYS 58 10.663 6.198 5.527 497 HG2 LYS 58 2HG LYS 58 10.196 3.254 6.096 498 HG3 LYS 58 3HG LYS 58 10.532 3.969 4.517 499 HD2 LYS 58 2HD LYS 58 12.759 4.724 5.356 500 HD3 LYS 58 3HD LYS 58 12.422 3.956 6.911 501 HE2 LYS 58 2HE LYS 58 12.338 1.759 5.840 502 HE3 LYS 58 3HE LYS 58 12.564 2.494 4.250 503 HZ1 LYS 58 3HZ LYS 58 14.734 3.298 5.020 504 HZ2 LYS 58 1HZ LYS 58 14.625 1.610 5.049 505 HZ3 LYS 58 2HZ LYS 58 14.508 2.488 6.481 506 H THR 59 H THR 59 8.074 6.497 8.486 507 HA THR 59 HA THR 59 8.586 9.382 8.289 508 HB THR 59 HB THR 59 6.236 9.634 9.116 509 HG1 THR 59 HG1 THR 59 6.588 7.018 9.800 510 HG21 THR 59 3HG2 THR 59 5.040 8.639 7.189 511 HG22 THR 59 1HG2 THR 59 6.453 7.643 6.827 512 HG23 THR 59 2HG2 THR 59 6.548 9.397 6.681 513 H LYS 60 H LYS 60 7.724 10.642 10.392 514 HA LYS 60 HA LYS 60 9.546 9.917 12.543 515 HB2 LYS 60 2HB LYS 60 9.213 12.264 11.625 516 HB3 LYS 60 3HB LYS 60 7.627 12.280 12.390 517 HG2 LYS 60 2HG LYS 60 8.699 12.034 14.610 518 HG3 LYS 60 3HG LYS 60 10.289 12.016 13.840 519 HD2 LYS 60 2HD LYS 60 9.941 14.321 13.036 520 HD3 LYS 60 3HD LYS 60 8.318 14.337 13.734 521 HE2 LYS 60 2HE LYS 60 9.260 14.130 15.989 522 HE3 LYS 60 3HE LYS 60 10.890 14.022 15.323 523 HZ1 LYS 60 3HZ LYS 60 9.076 16.365 15.138 524 HZ2 LYS 60 1HZ LYS 60 10.613 16.265 14.440 525 HZ3 LYS 60 2HZ LYS 60 10.442 16.231 16.123 526 H ARG 61 H ARG 61 7.153 8.170 12.163 527 HA ARG 61 HA ARG 61 5.517 8.606 14.569 528 HB2 ARG 61 2HB ARG 61 5.134 6.607 12.302 529 HB3 ARG 61 3HB ARG 61 3.984 6.947 13.597 530 HG2 ARG 61 2HG ARG 61 4.870 8.893 11.435 531 HG3 ARG 61 3HG ARG 61 3.325 8.044 11.496 532 HD2 ARG 61 2HD ARG 61 2.695 9.263 13.519 533 HD3 ARG 61 3HD ARG 61 4.281 10.044 13.579 534 HE ARG 61 HE ARG 61 3.124 10.609 11.098 535 HH11 ARG 61 1HH1 ARG 61 2.677 11.443 14.425 536 HH12 ARG 61 2HH1 ARG 61 1.902 12.939 14.045 537 HH21 ARG 61 1HH2 ARG 61 2.132 12.540 10.655 538 HH22 ARG 61 2HH2 ARG 61 1.586 13.540 11.954 539 H LYS 62 H LYS 62 7.385 6.011 12.969 540 HA LYS 62 HA LYS 62 8.064 4.889 15.635 541 HB2 LYS 62 2HB LYS 62 6.417 3.443 14.354 542 HB3 LYS 62 3HB LYS 62 7.622 3.266 13.087 543 HG2 LYS 62 2HG LYS 62 7.637 1.285 14.485 544 HG3 LYS 62 3HG LYS 62 9.150 2.168 14.719 545 HD2 LYS 62 2HD LYS 62 8.277 3.125 16.833 546 HD3 LYS 62 3HD LYS 62 6.747 2.278 16.590 547 HE2 LYS 62 2HE LYS 62 9.457 0.990 17.038 548 HE3 LYS 62 3HE LYS 62 8.141 1.084 18.209 549 HZ1 LYS 62 3HZ LYS 62 8.217 -1.072 17.179 550 HZ2 LYS 62 1HZ LYS 62 8.092 -0.395 15.635 551 HZ3 LYS 62 2HZ LYS 62 6.796 -0.283 16.713 552 H GLN 63 H GLN 63 10.125 5.665 15.850 553 HA GLN 63 HA GLN 63 12.008 5.518 13.555 554 HB2 GLN 63 2HB GLN 63 12.173 7.321 16.012 555 HB3 GLN 63 3HB GLN 63 13.241 7.366 14.606 556 HG2 GLN 63 2HG GLN 63 11.255 8.017 13.205 557 HG3 GLN 63 3HG GLN 63 10.288 8.094 14.677 558 HE21 GLN 63 1HE2 GLN 63 10.755 9.762 16.186 559 HE22 GLN 63 2HE2 GLN 63 11.613 11.184 15.718 560 H LEU 64 H LEU 64 14.339 5.321 14.268 561 HA LEU 64 HA LEU 64 14.715 3.522 16.591 562 HB2 LEU 64 2HB LEU 64 14.691 2.259 14.412 563 HB3 LEU 64 3HB LEU 64 16.067 3.210 13.879 564 HG LEU 64 HG LEU 64 17.417 2.255 15.789 565 HD11 LEU 64 1HD1 LEU 64 14.994 0.481 16.240 566 HD12 LEU 64 2HD1 LEU 64 15.619 1.715 17.339 567 HD13 LEU 64 3HD1 LEU 64 16.577 0.279 16.999 568 HD21 LEU 64 3HD2 LEU 64 17.757 0.029 14.792 569 HD22 LEU 64 1HD2 LEU 64 17.599 1.272 13.551 570 HD23 LEU 64 2HD2 LEU 64 16.248 0.188 13.890 571 H SER 65 H SER 65 15.235 5.624 17.574 572 HA SER 65 HA SER 65 17.698 6.985 16.787 573 HB2 SER 65 2HB SER 65 15.800 8.342 17.577 574 HB3 SER 65 3HB SER 65 15.822 7.510 19.131 575 HG SER 65 HG SER 65 17.620 8.559 19.693 576 H SER 66 H SER 66 19.095 5.130 17.087 577 HA SER 66 HA SER 66 19.811 4.434 19.880 578 HB2 SER 66 2HB SER 66 20.585 3.159 17.218 579 HB3 SER 66 3HB SER 66 21.219 2.640 18.782 580 HG SER 66 HG SER 66 19.296 1.834 19.319 581 H GLU 67 H GLU 67 21.672 5.171 20.799 582 HA GLU 67 HA GLU 67 23.439 6.944 19.320 583 HB2 GLU 67 2HB GLU 67 22.793 7.397 21.693 584 HB3 GLU 67 3HB GLU 67 23.677 5.961 22.196 585 HG2 GLU 67 2HG GLU 67 25.789 6.960 21.435 586 HG3 GLU 67 3HG GLU 67 24.927 8.373 20.830 587 H LEU 68 H LEU 68 24.508 5.750 17.796 588 HA LEU 68 HA LEU 68 26.804 4.227 18.501 589 HB2 LEU 68 2HB LEU 68 24.971 2.515 18.882 590 HB3 LEU 68 3HB LEU 68 24.561 2.636 17.180 591 HG LEU 68 HG LEU 68 26.850 1.779 16.597 592 HD11 LEU 68 1HD1 LEU 68 28.269 0.767 18.339 593 HD12 LEU 68 2HD1 LEU 68 27.196 1.390 19.595 594 HD13 LEU 68 3HD1 LEU 68 28.100 2.507 18.568 595 HD21 LEU 68 3HD2 LEU 68 26.450 -0.560 17.245 596 HD22 LEU 68 1HD2 LEU 68 24.964 0.225 16.709 597 HD23 LEU 68 2HD2 LEU 68 25.251 -0.040 18.431 598 H GLY 69 H GLY 69 28.265 4.336 16.821 599 HA2 GLY 69 2HA GLY 69 29.161 4.628 14.720 600 HA3 GLY 69 3HA GLY 69 27.572 4.314 14.041 Start of MODEL 19 1 H1 MET 1 1H MET 1 20.213 16.804 -8.634 2 H2 MET 1 2H MET 1 19.180 18.142 -8.704 3 H3 MET 1 3H MET 1 20.496 18.035 -9.758 4 HA MET 1 HA MET 1 18.428 17.535 -10.884 5 HB2 MET 1 2HB MET 1 20.162 15.042 -10.562 6 HB3 MET 1 3HB MET 1 19.108 15.406 -11.929 7 HG2 MET 1 2HG MET 1 21.625 16.884 -11.131 8 HG3 MET 1 3HG MET 1 21.403 15.849 -12.543 9 HE1 MET 1 3HE MET 1 21.777 19.459 -14.102 10 HE2 MET 1 1HE MET 1 22.367 17.798 -14.161 11 HE3 MET 1 2HE MET 1 22.638 18.781 -12.721 12 H GLY 2 H GLY 2 16.347 16.993 -10.482 13 HA2 GLY 2 2HA GLY 2 15.610 15.465 -8.119 14 HA3 GLY 2 3HA GLY 2 14.532 16.304 -9.219 15 H HIS 3 H HIS 3 16.784 13.533 -9.342 16 HA HIS 3 HA HIS 3 14.794 11.564 -9.827 17 HB2 HIS 3 2HB HIS 3 15.483 10.865 -12.132 18 HB3 HIS 3 3HB HIS 3 14.731 12.453 -12.112 19 HD1 HIS 3 HD1 HIS 3 18.033 10.763 -12.653 20 HD2 HIS 3 HD2 HIS 3 16.381 14.558 -12.939 21 HE1 HIS 3 HE1 HIS 3 19.733 12.140 -13.861 22 HE2 HIS 3 HE2 HIS 3 18.644 14.383 -14.173 23 H HIS 4 H HIS 4 15.935 9.399 -10.492 24 HA HIS 4 HA HIS 4 18.676 9.085 -9.561 25 HB2 HIS 4 2HB HIS 4 18.047 7.547 -7.686 26 HB3 HIS 4 3HB HIS 4 17.504 9.197 -7.412 27 HD1 HIS 4 HD1 HIS 4 16.200 5.744 -8.099 28 HD2 HIS 4 HD2 HIS 4 14.707 9.526 -7.286 29 HE1 HIS 4 HE1 HIS 4 13.762 5.413 -7.647 30 HE2 HIS 4 HE2 HIS 4 12.922 7.685 -7.005 31 H HIS 5 H HIS 5 19.128 6.584 -9.305 32 HA HIS 5 HA HIS 5 18.488 5.268 -11.787 33 HB2 HIS 5 2HB HIS 5 20.710 5.041 -10.697 34 HB3 HIS 5 3HB HIS 5 19.960 4.240 -9.320 35 HD1 HIS 5 HD1 HIS 5 19.709 1.737 -9.480 36 HD2 HIS 5 HD2 HIS 5 20.592 3.469 -13.152 37 HE1 HIS 5 HE1 HIS 5 20.060 -0.172 -11.062 38 HE2 HIS 5 HE2 HIS 5 20.725 0.896 -13.230 39 H HIS 6 H HIS 6 17.097 3.529 -12.144 40 HA HIS 6 HA HIS 6 14.916 3.139 -10.324 41 HB2 HIS 6 2HB HIS 6 14.694 3.108 -12.838 42 HB3 HIS 6 3HB HIS 6 15.533 1.560 -12.860 43 HD1 HIS 6 HD1 HIS 6 14.213 -0.500 -11.802 44 HD2 HIS 6 HD2 HIS 6 12.000 2.986 -12.187 45 HE1 HIS 6 HE1 HIS 6 11.826 -1.175 -11.461 46 HE2 HIS 6 HE2 HIS 6 10.503 0.919 -11.886 47 H HIS 7 H HIS 7 15.266 2.037 -8.490 48 HA HIS 7 HA HIS 7 17.089 -0.174 -8.236 49 HB2 HIS 7 2HB HIS 7 15.037 0.971 -6.293 50 HB3 HIS 7 3HB HIS 7 16.161 -0.323 -5.890 51 HD1 HIS 7 HD1 HIS 7 16.501 1.940 -4.104 52 HD2 HIS 7 HD2 HIS 7 18.354 1.937 -7.824 53 HE1 HIS 7 HE1 HIS 7 18.456 3.486 -3.890 54 HE2 HIS 7 HE2 HIS 7 19.512 3.530 -6.162 55 H HIS 8 H HIS 8 16.406 -1.659 -9.732 56 HA HIS 8 HA HIS 8 13.821 -2.871 -9.853 57 HB2 HIS 8 2HB HIS 8 15.070 -4.627 -11.270 58 HB3 HIS 8 3HB HIS 8 15.107 -2.971 -11.858 59 HD1 HIS 8 HD1 HIS 8 17.401 -1.726 -11.794 60 HD2 HIS 8 HD2 HIS 8 17.612 -5.680 -10.526 61 HE1 HIS 8 HE1 HIS 8 19.843 -2.277 -11.700 62 HE2 HIS 8 HE2 HIS 8 19.946 -4.622 -10.806 63 H SER 9 H SER 9 13.397 -3.361 -7.671 64 HA SER 9 HA SER 9 14.009 -5.918 -6.627 65 HB2 SER 9 2HB SER 9 16.252 -4.901 -6.155 66 HB3 SER 9 3HB SER 9 15.476 -3.618 -5.233 67 HG SER 9 HG SER 9 16.014 -6.237 -4.546 68 H HIS 10 H HIS 10 13.283 -2.560 -5.777 69 HA HIS 10 HA HIS 10 11.035 -3.369 -4.024 70 HB2 HIS 10 2HB HIS 10 12.459 -0.683 -4.323 71 HB3 HIS 10 3HB HIS 10 11.124 -1.000 -3.215 72 HD1 HIS 10 HD1 HIS 10 14.686 -0.828 -3.230 73 HD2 HIS 10 HD2 HIS 10 11.897 -3.269 -1.345 74 HE1 HIS 10 HE1 HIS 10 15.901 -1.893 -1.315 75 HE2 HIS 10 HE2 HIS 10 14.224 -3.415 -0.243 76 H MET 11 H MET 11 9.359 -1.268 -4.161 77 HA MET 11 HA MET 11 7.914 -1.541 -6.567 78 HB2 MET 11 2HB MET 11 7.669 0.594 -4.403 79 HB3 MET 11 3HB MET 11 6.472 0.294 -5.658 80 HG2 MET 11 2HG MET 11 5.728 -0.699 -3.588 81 HG3 MET 11 3HG MET 11 6.124 -1.987 -4.727 82 HE1 MET 11 3HE MET 11 6.149 -3.766 -2.694 83 HE2 MET 11 1HE MET 11 5.751 -2.473 -1.563 84 HE3 MET 11 2HE MET 11 7.112 -3.545 -1.234 85 H SER 12 H SER 12 7.310 0.198 -8.090 86 HA SER 12 HA SER 12 9.677 1.728 -8.999 87 HB2 SER 12 2HB SER 12 8.573 0.220 -10.644 88 HB3 SER 12 3HB SER 12 7.067 1.120 -10.458 89 HG SER 12 HG SER 12 7.855 2.719 -11.630 90 H HIS 13 H HIS 13 9.198 4.015 -9.926 91 HA HIS 13 HA HIS 13 8.610 5.642 -7.779 92 HB2 HIS 13 2HB HIS 13 9.943 6.437 -9.681 93 HB3 HIS 13 3HB HIS 13 8.520 6.424 -10.718 94 HD1 HIS 13 HD1 HIS 13 9.782 8.198 -7.594 95 HD2 HIS 13 HD2 HIS 13 7.120 8.822 -10.724 96 HE1 HIS 13 HE1 HIS 13 8.948 10.540 -7.322 97 HE2 HIS 13 HE2 HIS 13 7.317 10.880 -9.188 98 H THR 14 H THR 14 6.399 5.269 -10.623 99 HA THR 14 HA THR 14 4.348 6.949 -9.629 100 HB THR 14 HB THR 14 4.055 4.669 -11.638 101 HG1 THR 14 HG1 THR 14 4.860 5.994 -13.102 102 HG21 THR 14 3HG2 THR 14 2.143 5.952 -12.532 103 HG22 THR 14 1HG2 THR 14 2.354 7.170 -11.275 104 HG23 THR 14 2HG2 THR 14 1.863 5.533 -10.841 105 H GLN 15 H GLN 15 4.864 3.457 -9.428 106 HA GLN 15 HA GLN 15 2.443 2.613 -8.263 107 HB2 GLN 15 2HB GLN 15 4.031 1.071 -9.304 108 HB3 GLN 15 3HB GLN 15 5.258 1.463 -8.106 109 HG2 GLN 15 2HG GLN 15 3.981 0.361 -6.361 110 HG3 GLN 15 3HG GLN 15 2.632 0.092 -7.466 111 HE21 GLN 15 1HE2 GLN 15 2.827 -1.509 -9.067 112 HE22 GLN 15 2HE2 GLN 15 4.049 -2.725 -8.990 113 H VAL 16 H VAL 16 5.536 3.524 -6.712 114 HA VAL 16 HA VAL 16 4.862 3.281 -4.008 115 HB VAL 16 HB VAL 16 6.766 5.304 -5.291 116 HG11 VAL 16 1HG1 VAL 16 6.651 4.453 -2.370 117 HG12 VAL 16 2HG1 VAL 16 6.208 6.034 -3.012 118 HG13 VAL 16 3HG1 VAL 16 7.884 5.495 -3.093 119 HG21 VAL 16 3HG2 VAL 16 8.571 3.723 -4.745 120 HG22 VAL 16 1HG2 VAL 16 7.372 2.972 -5.797 121 HG23 VAL 16 2HG2 VAL 16 7.395 2.588 -4.077 122 H ILE 17 H ILE 17 4.367 6.023 -6.260 123 HA ILE 17 HA ILE 17 3.335 7.917 -4.419 124 HB ILE 17 HB ILE 17 2.730 7.680 -7.403 125 HG12 ILE 17 2HG1 ILE 17 4.821 9.402 -5.987 126 HG13 ILE 17 3HG1 ILE 17 5.158 7.938 -6.897 127 HG21 ILE 17 1HG2 ILE 17 2.297 10.071 -5.566 128 HG22 ILE 17 2HG2 ILE 17 1.038 9.093 -6.319 129 HG23 ILE 17 3HG2 ILE 17 2.096 10.085 -7.321 130 HD11 ILE 17 3HD1 ILE 17 4.376 9.019 -8.936 131 HD12 ILE 17 1HD1 ILE 17 5.685 9.918 -8.171 132 HD13 ILE 17 2HD1 ILE 17 4.026 10.492 -8.024 133 H GLU 18 H GLU 18 1.690 5.418 -6.399 134 HA GLU 18 HA GLU 18 -0.991 6.112 -5.798 135 HB2 GLU 18 2HB GLU 18 -0.036 3.273 -6.354 136 HB3 GLU 18 3HB GLU 18 -1.632 3.945 -6.663 137 HG2 GLU 18 2HG GLU 18 0.938 4.527 -8.143 138 HG3 GLU 18 3HG GLU 18 -0.478 3.685 -8.755 139 H LEU 19 H LEU 19 1.253 3.857 -4.259 140 HA LEU 19 HA LEU 19 -0.352 2.996 -2.096 141 HB2 LEU 19 2HB LEU 19 2.669 3.234 -2.368 142 HB3 LEU 19 3HB LEU 19 1.867 2.374 -1.064 143 HG LEU 19 HG LEU 19 1.560 1.606 -3.992 144 HD11 LEU 19 1HD1 LEU 19 3.179 -0.187 -3.631 145 HD12 LEU 19 2HD1 LEU 19 3.491 0.397 -1.996 146 HD13 LEU 19 3HD1 LEU 19 3.920 1.394 -3.387 147 HD21 LEU 19 3HD2 LEU 19 0.741 -0.535 -3.122 148 HD22 LEU 19 1HD2 LEU 19 -0.250 0.806 -2.551 149 HD23 LEU 19 2HD2 LEU 19 0.918 0.049 -1.465 150 H GLU 20 H GLU 20 1.771 5.862 -2.518 151 HA GLU 20 HA GLU 20 1.720 6.809 0.162 152 HB2 GLU 20 2HB GLU 20 2.395 8.131 -2.477 153 HB3 GLU 20 3HB GLU 20 2.347 9.079 -0.998 154 HG2 GLU 20 2HG GLU 20 4.086 7.619 -0.018 155 HG3 GLU 20 3HG GLU 20 4.146 6.698 -1.521 156 H ARG 21 H ARG 21 -0.408 7.465 -2.616 157 HA ARG 21 HA ARG 21 -2.028 9.496 -1.594 158 HB2 ARG 21 2HB ARG 21 -3.019 7.121 -3.235 159 HB3 ARG 21 3HB ARG 21 -3.811 8.688 -3.093 160 HG2 ARG 21 2HG ARG 21 -2.019 9.758 -4.344 161 HG3 ARG 21 3HG ARG 21 -1.097 8.255 -4.367 162 HD2 ARG 21 2HD ARG 21 -3.020 7.198 -5.631 163 HD3 ARG 21 3HD ARG 21 -3.732 8.808 -5.772 164 HE ARG 21 HE ARG 21 -1.238 7.858 -7.028 165 HH11 ARG 21 1HH1 ARG 21 -3.642 10.350 -6.824 166 HH12 ARG 21 2HH1 ARG 21 -3.151 11.065 -8.317 167 HH21 ARG 21 1HH2 ARG 21 -0.682 8.757 -8.925 168 HH22 ARG 21 2HH2 ARG 21 -1.502 10.170 -9.504 169 H LYS 22 H LYS 22 -2.456 5.991 -1.361 170 HA LYS 22 HA LYS 22 -4.706 5.921 0.341 171 HB2 LYS 22 2HB LYS 22 -3.857 4.072 -1.172 172 HB3 LYS 22 3HB LYS 22 -2.556 3.790 -0.025 173 HG2 LYS 22 2HG LYS 22 -4.225 2.132 0.371 174 HG3 LYS 22 3HG LYS 22 -4.295 3.270 1.718 175 HD2 LYS 22 2HD LYS 22 -6.267 4.359 0.722 176 HD3 LYS 22 3HD LYS 22 -6.174 3.286 -0.679 177 HE2 LYS 22 2HE LYS 22 -6.609 1.344 0.786 178 HE3 LYS 22 3HE LYS 22 -6.689 2.415 2.182 179 HZ1 LYS 22 3HZ LYS 22 -8.532 2.384 -0.137 180 HZ2 LYS 22 1HZ LYS 22 -8.576 3.537 1.098 181 HZ3 LYS 22 2HZ LYS 22 -8.891 1.916 1.451 182 H PHE 23 H PHE 23 -1.235 5.820 0.985 183 HA PHE 23 HA PHE 23 -1.276 5.250 3.757 184 HB2 PHE 23 2HB PHE 23 0.698 4.919 2.287 185 HB3 PHE 23 3HB PHE 23 0.839 6.660 2.074 186 HD1 PHE 23 HD2 PHE 23 0.915 3.990 4.690 187 HD2 PHE 23 HD1 PHE 23 2.193 7.918 3.574 188 HE1 PHE 23 HE2 PHE 23 2.348 4.095 6.674 189 HE2 PHE 23 HE1 PHE 23 3.624 8.015 5.567 190 HZ PHE 23 HZ PHE 23 3.700 6.102 7.116 191 H SER 24 H SER 24 -1.198 8.311 1.958 192 HA SER 24 HA SER 24 -0.958 10.139 4.068 193 HB2 SER 24 2HB SER 24 -0.596 10.790 1.731 194 HB3 SER 24 3HB SER 24 -2.290 10.485 1.347 195 HG SER 24 HG SER 24 -1.279 12.443 3.144 196 H HIS 25 H HIS 25 -3.812 8.515 2.726 197 HA HIS 25 HA HIS 25 -5.716 10.037 4.288 198 HB2 HIS 25 2HB HIS 25 -6.066 7.417 2.765 199 HB3 HIS 25 3HB HIS 25 -7.369 8.399 3.429 200 HD1 HIS 25 HD1 HIS 25 -6.309 11.189 2.418 201 HD2 HIS 25 HD2 HIS 25 -6.647 7.767 0.083 202 HE1 HIS 25 HE1 HIS 25 -6.454 11.997 0.053 203 HE2 HIS 25 HE2 HIS 25 -6.614 9.916 -1.343 204 H GLN 26 H GLN 26 -4.243 6.807 4.470 205 HA GLN 26 HA GLN 26 -4.916 6.507 7.293 206 HB2 GLN 26 2HB GLN 26 -6.034 4.314 6.947 207 HB3 GLN 26 3HB GLN 26 -6.923 5.643 6.208 208 HG2 GLN 26 2HG GLN 26 -5.929 5.015 3.998 209 HG3 GLN 26 3HG GLN 26 -5.179 3.618 4.782 210 HE21 GLN 26 1HE2 GLN 26 -6.508 1.900 5.434 211 HE22 GLN 26 2HE2 GLN 26 -8.125 1.721 4.866 212 H LYS 27 H LYS 27 -3.471 5.333 8.372 213 HA LYS 27 HA LYS 27 -1.017 4.429 7.125 214 HB2 LYS 27 2HB LYS 27 -1.958 4.353 10.028 215 HB3 LYS 27 3HB LYS 27 -0.316 4.002 9.493 216 HG2 LYS 27 2HG LYS 27 -1.716 6.673 9.150 217 HG3 LYS 27 3HG LYS 27 -0.578 6.289 10.444 218 HD2 LYS 27 2HD LYS 27 1.251 6.087 8.903 219 HD3 LYS 27 3HD LYS 27 0.172 6.083 7.507 220 HE2 LYS 27 2HE LYS 27 0.620 8.448 9.356 221 HE3 LYS 27 3HE LYS 27 1.357 8.236 7.766 222 HZ1 LYS 27 3HZ LYS 27 -0.546 9.652 7.588 223 HZ2 LYS 27 1HZ LYS 27 -1.543 8.516 8.340 224 HZ3 LYS 27 2HZ LYS 27 -0.893 8.190 6.812 225 H TYR 28 H TYR 28 -3.700 2.973 8.929 226 HA TYR 28 HA TYR 28 -2.760 0.224 8.495 227 HB2 TYR 28 2HB TYR 28 -5.170 1.274 10.055 228 HB3 TYR 28 3HB TYR 28 -4.635 -0.403 10.014 229 HD1 TYR 28 HD1 TYR 28 -3.766 2.999 11.245 230 HD2 TYR 28 HD2 TYR 28 -2.813 -1.158 11.440 231 HE1 TYR 28 HE1 TYR 28 -2.358 3.418 13.204 232 HE2 TYR 28 HE2 TYR 28 -1.397 -0.738 13.401 233 HH TYR 28 HH TYR 28 -1.468 2.188 15.128 234 H LEU 29 H LEU 29 -3.624 -1.093 6.937 235 HA LEU 29 HA LEU 29 -6.055 -0.230 5.463 236 HB2 LEU 29 2HB LEU 29 -3.960 -2.284 4.651 237 HB3 LEU 29 3HB LEU 29 -5.325 -1.764 3.673 238 HG LEU 29 HG LEU 29 -2.881 -0.134 4.432 239 HD11 LEU 29 1HD1 LEU 29 -2.524 -1.741 2.626 240 HD12 LEU 29 2HD1 LEU 29 -2.441 -0.084 2.037 241 HD13 LEU 29 3HD1 LEU 29 -3.882 -1.056 1.725 242 HD21 LEU 29 3HD2 LEU 29 -4.814 1.347 4.534 243 HD22 LEU 29 1HD2 LEU 29 -5.352 0.808 2.937 244 HD23 LEU 29 2HD2 LEU 29 -3.843 1.711 3.112 245 H SER 30 H SER 30 -7.838 -1.542 5.313 246 HA SER 30 HA SER 30 -8.070 -3.980 6.883 247 HB2 SER 30 2HB SER 30 -10.013 -2.769 4.858 248 HB3 SER 30 3HB SER 30 -10.389 -4.055 6.011 249 HG SER 30 HG SER 30 -9.784 -1.332 6.528 250 H ALA 31 H ALA 31 -8.706 -6.065 5.861 251 HA ALA 31 HA ALA 31 -6.872 -6.976 3.971 252 HB1 ALA 31 3HB ALA 31 -8.103 -9.101 3.959 253 HB2 ALA 31 1HB ALA 31 -9.498 -8.322 4.712 254 HB3 ALA 31 2HB ALA 31 -7.980 -8.463 5.599 255 HA PRO 32 HA PRO 32 -10.330 -6.741 0.420 256 HB2 PRO 32 2HB PRO 32 -12.204 -4.698 0.768 257 HB3 PRO 32 3HB PRO 32 -12.505 -6.408 1.142 258 HG2 PRO 32 2HG PRO 32 -11.693 -4.193 3.000 259 HG3 PRO 32 3HG PRO 32 -12.931 -5.452 3.223 260 HD2 PRO 32 2HD PRO 32 -10.534 -5.691 4.387 261 HD3 PRO 32 3HD PRO 32 -11.340 -7.119 3.693 262 H GLU 33 H GLU 33 -9.691 -3.603 2.149 263 HA GLU 33 HA GLU 33 -9.334 -1.955 -0.087 264 HB2 GLU 33 2HB GLU 33 -7.969 -1.731 2.623 265 HB3 GLU 33 3HB GLU 33 -8.072 -0.442 1.425 266 HG2 GLU 33 2HG GLU 33 -10.551 -0.462 1.663 267 HG3 GLU 33 3HG GLU 33 -10.394 -1.688 2.927 268 H ARG 34 H ARG 34 -6.954 -3.828 1.750 269 HA ARG 34 HA ARG 34 -4.637 -2.969 0.352 270 HB2 ARG 34 2HB ARG 34 -4.544 -3.846 2.633 271 HB3 ARG 34 3HB ARG 34 -5.138 -5.413 2.089 272 HG2 ARG 34 2HG ARG 34 -3.094 -5.861 0.893 273 HG3 ARG 34 3HG ARG 34 -2.524 -4.210 1.140 274 HD2 ARG 34 2HD ARG 34 -2.969 -6.260 3.326 275 HD3 ARG 34 3HD ARG 34 -1.404 -5.809 2.639 276 HE ARG 34 HE ARG 34 -2.330 -3.431 3.464 277 HH11 ARG 34 1HH1 ARG 34 -2.135 -6.462 5.126 278 HH12 ARG 34 2HH1 ARG 34 -1.935 -5.712 6.671 279 HH21 ARG 34 1HH2 ARG 34 -2.068 -2.517 5.468 280 HH22 ARG 34 2HH2 ARG 34 -1.888 -3.535 6.851 281 H ALA 35 H ALA 35 -6.789 -5.785 -0.027 282 HA ALA 35 HA ALA 35 -5.359 -7.182 -2.025 283 HB1 ALA 35 3HB ALA 35 -7.481 -8.366 -2.446 284 HB2 ALA 35 1HB ALA 35 -8.356 -7.149 -1.505 285 HB3 ALA 35 2HB ALA 35 -7.180 -8.200 -0.717 286 H HIS 36 H HIS 36 -7.979 -4.748 -2.306 287 HA HIS 36 HA HIS 36 -8.083 -4.664 -5.140 288 HB2 HIS 36 2HB HIS 36 -9.039 -2.738 -2.998 289 HB3 HIS 36 3HB HIS 36 -9.165 -2.318 -4.705 290 HD1 HIS 36 HD1 HIS 36 -10.998 -3.442 -6.070 291 HD2 HIS 36 HD2 HIS 36 -10.742 -4.929 -2.206 292 HE1 HIS 36 HE1 HIS 36 -13.031 -4.867 -5.758 293 HE2 HIS 36 HE2 HIS 36 -12.766 -5.876 -3.475 294 H LEU 37 H LEU 37 -6.251 -2.705 -2.796 295 HA LEU 37 HA LEU 37 -5.062 -0.884 -4.619 296 HB2 LEU 37 2HB LEU 37 -5.204 -0.611 -2.123 297 HB3 LEU 37 3HB LEU 37 -3.992 -1.868 -1.943 298 HG LEU 37 HG LEU 37 -2.349 -0.407 -3.162 299 HD11 LEU 37 1HD1 LEU 37 -3.903 0.964 -4.466 300 HD12 LEU 37 2HD1 LEU 37 -2.818 1.970 -3.512 301 HD13 LEU 37 3HD1 LEU 37 -4.490 1.738 -2.990 302 HD21 LEU 37 3HD2 LEU 37 -2.347 -0.468 -0.727 303 HD22 LEU 37 1HD2 LEU 37 -3.558 0.813 -0.660 304 HD23 LEU 37 2HD2 LEU 37 -1.946 1.147 -1.296 305 H ALA 38 H ALA 38 -4.106 -4.078 -3.475 306 HA ALA 38 HA ALA 38 -1.477 -4.226 -4.540 307 HB1 ALA 38 3HB ALA 38 -3.393 -6.487 -3.849 308 HB2 ALA 38 1HB ALA 38 -2.259 -5.715 -2.740 309 HB3 ALA 38 2HB ALA 38 -1.653 -6.651 -4.107 310 H LYS 39 H LYS 39 -4.601 -5.542 -5.760 311 HA LYS 39 HA LYS 39 -3.520 -6.660 -8.143 312 HB2 LYS 39 2HB LYS 39 -5.856 -7.001 -8.864 313 HB3 LYS 39 3HB LYS 39 -5.598 -7.515 -7.201 314 HG2 LYS 39 2HG LYS 39 -6.616 -5.373 -6.422 315 HG3 LYS 39 3HG LYS 39 -6.963 -4.961 -8.101 316 HD2 LYS 39 2HD LYS 39 -8.047 -7.421 -6.658 317 HD3 LYS 39 3HD LYS 39 -8.933 -5.909 -6.874 318 HE2 LYS 39 2HE LYS 39 -8.825 -6.188 -9.315 319 HE3 LYS 39 3HE LYS 39 -7.931 -7.696 -9.112 320 HZ1 LYS 39 3HZ LYS 39 -10.320 -8.021 -9.518 321 HZ2 LYS 39 1HZ LYS 39 -10.672 -7.218 -8.071 322 HZ3 LYS 39 2HZ LYS 39 -9.820 -8.676 -8.045 323 H ASN 40 H ASN 40 -4.853 -3.451 -7.463 324 HA ASN 40 HA ASN 40 -4.978 -2.451 -10.110 325 HB2 ASN 40 2HB ASN 40 -4.449 -0.957 -7.509 326 HB3 ASN 40 3HB ASN 40 -4.736 -0.160 -9.055 327 HD21 ASN 40 1HD2 ASN 40 -6.276 0.067 -6.638 328 HD22 ASN 40 2HD2 ASN 40 -7.872 -0.450 -7.020 329 H LEU 41 H LEU 41 -2.231 -2.876 -7.955 330 HA LEU 41 HA LEU 41 -0.402 -1.574 -9.908 331 HB2 LEU 41 2HB LEU 41 -0.034 -2.171 -6.950 332 HB3 LEU 41 3HB LEU 41 1.165 -1.390 -7.975 333 HG LEU 41 HG LEU 41 -1.581 -0.247 -7.319 334 HD11 LEU 41 1HD1 LEU 41 -0.133 -0.261 -5.352 335 HD12 LEU 41 2HD1 LEU 41 -0.416 1.379 -5.930 336 HD13 LEU 41 3HD1 LEU 41 1.128 0.586 -6.254 337 HD21 LEU 41 3HD2 LEU 41 -0.780 1.799 -8.409 338 HD22 LEU 41 1HD2 LEU 41 -0.798 0.450 -9.539 339 HD23 LEU 41 2HD2 LEU 41 0.732 1.001 -8.847 340 H LYS 42 H LYS 42 -1.469 -4.558 -9.656 341 HA LYS 42 HA LYS 42 -0.749 -6.682 -9.984 342 HB2 LYS 42 2HB LYS 42 1.633 -5.205 -11.148 343 HB3 LYS 42 3HB LYS 42 1.470 -6.952 -11.250 344 HG2 LYS 42 2HG LYS 42 -0.579 -5.008 -12.367 345 HG3 LYS 42 3HG LYS 42 0.752 -5.679 -13.309 346 HD2 LYS 42 2HD LYS 42 -0.139 -7.995 -12.775 347 HD3 LYS 42 3HD LYS 42 -1.536 -7.226 -12.022 348 HE2 LYS 42 2HE LYS 42 -0.731 -6.914 -14.935 349 HE3 LYS 42 3HE LYS 42 -1.991 -7.996 -14.344 350 HZ1 LYS 42 3HZ LYS 42 -3.215 -6.072 -13.550 351 HZ2 LYS 42 1HZ LYS 42 -2.909 -5.940 -15.205 352 HZ3 LYS 42 2HZ LYS 42 -2.005 -5.034 -14.104 353 H LEU 43 H LEU 43 0.191 -5.148 -7.455 354 HA LEU 43 HA LEU 43 2.458 -6.720 -6.497 355 HB2 LEU 43 2HB LEU 43 0.703 -4.658 -5.101 356 HB3 LEU 43 3HB LEU 43 2.093 -5.435 -4.354 357 HG LEU 43 HG LEU 43 2.154 -3.543 -6.735 358 HD11 LEU 43 1HD1 LEU 43 1.704 -2.390 -4.633 359 HD12 LEU 43 2HD1 LEU 43 3.315 -1.995 -5.226 360 HD13 LEU 43 3HD1 LEU 43 3.123 -3.134 -3.889 361 HD21 LEU 43 3HD2 LEU 43 3.906 -5.230 -6.997 362 HD22 LEU 43 1HD2 LEU 43 4.480 -4.936 -5.352 363 HD23 LEU 43 2HD2 LEU 43 4.617 -3.675 -6.581 364 H THR 44 H THR 44 2.146 -7.601 -4.144 365 HA THR 44 HA THR 44 -0.372 -9.165 -3.938 366 HB THR 44 HB THR 44 0.794 -10.751 -2.521 367 HG1 THR 44 HG1 THR 44 3.164 -10.333 -2.199 368 HG21 THR 44 3HG2 THR 44 1.165 -11.088 -4.942 369 HG22 THR 44 1HG2 THR 44 2.572 -11.602 -4.006 370 HG23 THR 44 2HG2 THR 44 2.602 -10.063 -4.869 371 H GLU 45 H GLU 45 -1.261 -9.409 -1.767 372 HA GLU 45 HA GLU 45 -1.553 -7.072 -0.239 373 HB2 GLU 45 2HB GLU 45 -2.063 -9.960 0.621 374 HB3 GLU 45 3HB GLU 45 -2.569 -8.549 1.542 375 HG2 GLU 45 2HG GLU 45 -4.500 -9.294 0.396 376 HG3 GLU 45 3HG GLU 45 -3.962 -7.850 -0.458 377 H THR 46 H THR 46 0.898 -9.577 -0.040 378 HA THR 46 HA THR 46 1.945 -8.864 2.536 379 HB THR 46 HB THR 46 3.215 -10.451 0.259 380 HG1 THR 46 HG1 THR 46 2.744 -12.174 1.902 381 HG21 THR 46 3HG2 THR 46 5.009 -9.539 1.696 382 HG22 THR 46 1HG2 THR 46 4.836 -11.277 1.958 383 HG23 THR 46 2HG2 THR 46 4.179 -10.139 3.133 384 H GLN 47 H GLN 47 2.927 -8.090 -0.837 385 HA GLN 47 HA GLN 47 5.183 -6.498 -0.260 386 HB2 GLN 47 2HB GLN 47 3.270 -6.360 -2.629 387 HB3 GLN 47 3HB GLN 47 4.796 -5.481 -2.546 388 HG2 GLN 47 2HG GLN 47 6.029 -7.602 -2.427 389 HG3 GLN 47 3HG GLN 47 4.511 -8.501 -2.486 390 HE21 GLN 47 1HE2 GLN 47 6.772 -6.566 -4.323 391 HE22 GLN 47 2HE2 GLN 47 6.138 -6.957 -5.879 392 H VAL 48 H VAL 48 1.775 -5.562 -0.732 393 HA VAL 48 HA VAL 48 2.066 -2.782 -0.267 394 HB VAL 48 HB VAL 48 -0.398 -4.547 0.115 395 HG11 VAL 48 1HG1 VAL 48 -0.699 -2.423 1.305 396 HG12 VAL 48 2HG1 VAL 48 -1.740 -2.479 -0.115 397 HG13 VAL 48 3HG1 VAL 48 -0.258 -1.518 -0.143 398 HG21 VAL 48 3HG2 VAL 48 0.456 -2.884 -2.291 399 HG22 VAL 48 1HG2 VAL 48 -1.048 -3.802 -2.151 400 HG23 VAL 48 2HG2 VAL 48 0.501 -4.644 -2.178 401 H LYS 49 H LYS 49 1.302 -5.478 1.977 402 HA LYS 49 HA LYS 49 0.913 -3.988 4.346 403 HB2 LYS 49 2HB LYS 49 0.271 -6.359 4.080 404 HB3 LYS 49 3HB LYS 49 1.955 -6.834 3.993 405 HG2 LYS 49 2HG LYS 49 0.934 -5.452 6.477 406 HG3 LYS 49 3HG LYS 49 0.545 -7.148 6.221 407 HD2 LYS 49 2HD LYS 49 3.350 -5.966 6.401 408 HD3 LYS 49 3HD LYS 49 2.527 -6.892 7.659 409 HE2 LYS 49 2HE LYS 49 2.477 -8.864 6.183 410 HE3 LYS 49 3HE LYS 49 3.285 -7.944 4.910 411 HZ1 LYS 49 3HZ LYS 49 4.429 -8.535 7.588 412 HZ2 LYS 49 1HZ LYS 49 5.210 -7.712 6.336 413 HZ3 LYS 49 2HZ LYS 49 4.823 -9.346 6.165 414 H ILE 50 H ILE 50 3.884 -5.372 2.952 415 HA ILE 50 HA ILE 50 5.676 -4.698 5.038 416 HB ILE 50 HB ILE 50 6.205 -5.306 2.092 417 HG12 ILE 50 2HG1 ILE 50 6.584 -7.021 4.600 418 HG13 ILE 50 3HG1 ILE 50 5.299 -7.208 3.414 419 HG21 ILE 50 1HG2 ILE 50 8.275 -5.008 4.305 420 HG22 ILE 50 2HG2 ILE 50 8.064 -3.929 2.925 421 HG23 ILE 50 3HG2 ILE 50 8.603 -5.587 2.669 422 HD11 ILE 50 3HD1 ILE 50 6.965 -7.806 1.719 423 HD12 ILE 50 1HD1 ILE 50 6.999 -8.886 3.111 424 HD13 ILE 50 2HD1 ILE 50 8.242 -7.648 2.929 425 H TRP 51 H TRP 51 4.921 -3.091 1.928 426 HA TRP 51 HA TRP 51 6.616 -0.890 2.066 427 HB2 TRP 51 2HB TRP 51 5.172 -1.574 0.083 428 HB3 TRP 51 3HB TRP 51 3.788 -0.868 0.903 429 HD1 TRP 51 HD1 TRP 51 6.837 0.080 -1.168 430 HE1 TRP 51 HE1 TRP 51 6.758 2.587 -1.721 431 HE3 TRP 51 HE3 TRP 51 2.984 1.484 1.881 432 HZ2 TRP 51 HZ2 TRP 51 5.269 4.857 -0.969 433 HZ3 TRP 51 HZ3 TRP 51 2.295 3.839 1.915 434 HH2 TRP 51 HH2 TRP 51 3.419 5.497 0.517 435 H PHE 52 H PHE 52 3.174 -1.001 3.046 436 HA PHE 52 HA PHE 52 3.029 1.495 4.300 437 HB2 PHE 52 2HB PHE 52 1.340 -1.001 4.461 438 HB3 PHE 52 3HB PHE 52 1.017 0.313 5.588 439 HD1 PHE 52 HD1 PHE 52 1.382 -0.360 1.903 440 HD2 PHE 52 HD2 PHE 52 -0.391 2.095 4.923 441 HE1 PHE 52 HE1 PHE 52 0.073 0.811 0.189 442 HE2 PHE 52 HE2 PHE 52 -1.698 3.256 3.196 443 HZ PHE 52 HZ PHE 52 -1.462 2.622 0.831 444 H GLN 53 H GLN 53 4.130 -1.611 5.670 445 HA GLN 53 HA GLN 53 4.065 -0.750 8.401 446 HB2 GLN 53 2HB GLN 53 4.051 -3.151 7.793 447 HB3 GLN 53 3HB GLN 53 5.699 -3.010 7.182 448 HG2 GLN 53 2HG GLN 53 6.543 -2.530 9.413 449 HG3 GLN 53 3HG GLN 53 4.909 -2.450 10.060 450 HE21 GLN 53 1HE2 GLN 53 3.969 -4.839 8.648 451 HE22 GLN 53 2HE2 GLN 53 4.708 -6.175 9.449 452 H ASN 54 H ASN 54 6.792 -1.065 6.091 453 HA ASN 54 HA ASN 54 8.799 0.125 7.657 454 HB2 ASN 54 2HB ASN 54 8.453 -0.022 4.641 455 HB3 ASN 54 3HB ASN 54 9.869 0.709 5.383 456 HD21 ASN 54 1HD2 ASN 54 8.403 -2.213 4.437 457 HD22 ASN 54 2HD2 ASN 54 9.599 -3.277 5.071 458 H ARG 55 H ARG 55 6.425 1.596 5.475 459 HA ARG 55 HA ARG 55 7.393 4.260 5.666 460 HB2 ARG 55 2HB ARG 55 4.977 2.951 4.510 461 HB3 ARG 55 3HB ARG 55 4.750 4.623 4.978 462 HG2 ARG 55 2HG ARG 55 5.317 4.660 2.693 463 HG3 ARG 55 3HG ARG 55 6.746 5.219 3.557 464 HD2 ARG 55 2HD ARG 55 6.377 2.389 2.551 465 HD3 ARG 55 3HD ARG 55 7.175 3.654 1.625 466 HE ARG 55 HE ARG 55 8.163 2.452 4.127 467 HH11 ARG 55 2HH1 ARG 55 8.800 4.303 1.262 468 HH12 ARG 55 1HH1 ARG 55 10.512 4.170 1.450 469 HH21 ARG 55 1HH2 ARG 55 10.338 2.312 4.317 470 HH22 ARG 55 2HH2 ARG 55 11.357 3.053 3.140 471 H ARG 56 H ARG 56 5.025 2.452 7.647 472 HA ARG 56 HA ARG 56 4.226 4.706 9.254 473 HB2 ARG 56 2HB ARG 56 3.978 1.702 9.616 474 HB3 ARG 56 3HB ARG 56 3.472 2.818 10.882 475 HG2 ARG 56 2HG ARG 56 1.816 3.821 9.405 476 HG3 ARG 56 3HG ARG 56 2.375 2.832 8.053 477 HD2 ARG 56 2HD ARG 56 1.210 1.682 10.614 478 HD3 ARG 56 3HD ARG 56 0.260 2.018 9.167 479 HE ARG 56 HE ARG 56 1.758 0.411 7.995 480 HH11 ARG 56 1HH1 ARG 56 1.487 0.114 11.440 481 HH12 ARG 56 2HH1 ARG 56 1.679 -1.603 11.404 482 HH21 ARG 56 1HH2 ARG 56 1.973 -1.783 7.995 483 HH22 ARG 56 2HH2 ARG 56 1.955 -2.652 9.486 484 H TYR 57 H TYR 57 6.792 2.321 9.385 485 HA TYR 57 HA TYR 57 7.895 3.134 11.906 486 HB2 TYR 57 2HB TYR 57 8.237 0.872 10.831 487 HB3 TYR 57 3HB TYR 57 9.249 1.645 9.617 488 HD1 TYR 57 HD1 TYR 57 8.974 0.997 13.292 489 HD2 TYR 57 HD2 TYR 57 11.593 1.998 10.061 490 HE1 TYR 57 HE1 TYR 57 10.912 0.697 14.770 491 HE2 TYR 57 HE2 TYR 57 13.529 1.699 11.544 492 HH TYR 57 HH TYR 57 13.311 0.188 14.581 493 H LYS 58 H LYS 58 8.133 4.269 8.628 494 HA LYS 58 HA LYS 58 10.434 6.005 9.175 495 HB2 LYS 58 2HB LYS 58 9.215 4.950 6.672 496 HB3 LYS 58 3HB LYS 58 9.852 6.586 6.568 497 HG2 LYS 58 2HG LYS 58 12.039 5.769 7.428 498 HG3 LYS 58 3HG LYS 58 11.407 4.120 7.430 499 HD2 LYS 58 2HD LYS 58 11.267 4.069 5.051 500 HD3 LYS 58 3HD LYS 58 11.461 5.816 4.911 501 HE2 LYS 58 2HE LYS 58 13.508 4.667 4.226 502 HE3 LYS 58 3HE LYS 58 13.800 5.614 5.683 503 HZ1 LYS 58 3HZ LYS 58 13.590 3.567 6.980 504 HZ2 LYS 58 1HZ LYS 58 14.837 3.462 5.841 505 HZ3 LYS 58 2HZ LYS 58 13.372 2.684 5.561 506 H THR 59 H THR 59 7.062 6.305 9.467 507 HA THR 59 HA THR 59 6.729 9.077 8.916 508 HB THR 59 HB THR 59 4.901 9.128 10.570 509 HG1 THR 59 HG1 THR 59 6.117 6.748 11.452 510 HG21 THR 59 3HG2 THR 59 3.443 7.385 9.648 511 HG22 THR 59 1HG2 THR 59 4.844 6.549 8.979 512 HG23 THR 59 2HG2 THR 59 4.393 8.141 8.366 513 H LYS 60 H LYS 60 6.575 10.850 10.594 514 HA LYS 60 HA LYS 60 9.035 11.401 11.733 515 HB2 LYS 60 2HB LYS 60 7.913 13.293 12.918 516 HB3 LYS 60 3HB LYS 60 7.481 13.180 11.216 517 HG2 LYS 60 2HG LYS 60 5.309 12.227 11.773 518 HG3 LYS 60 3HG LYS 60 5.738 12.150 13.482 519 HD2 LYS 60 2HD LYS 60 4.276 14.067 13.084 520 HD3 LYS 60 3HD LYS 60 5.881 14.626 13.555 521 HE2 LYS 60 2HE LYS 60 6.386 15.002 11.115 522 HE3 LYS 60 3HE LYS 60 4.704 14.597 10.760 523 HZ1 LYS 60 3HZ LYS 60 5.660 16.846 12.449 524 HZ2 LYS 60 1HZ LYS 60 4.034 16.438 12.218 525 HZ3 LYS 60 2HZ LYS 60 4.966 16.970 10.915 526 H ARG 61 H ARG 61 10.085 10.783 13.530 527 HA ARG 61 HA ARG 61 8.621 9.601 15.833 528 HB2 ARG 61 2HB ARG 61 11.059 8.504 14.380 529 HB3 ARG 61 3HB ARG 61 10.634 7.987 16.007 530 HG2 ARG 61 2HG ARG 61 8.595 6.981 15.258 531 HG3 ARG 61 3HG ARG 61 8.737 7.710 13.657 532 HD2 ARG 61 2HD ARG 61 9.334 5.307 13.653 533 HD3 ARG 61 3HD ARG 61 10.676 6.335 13.151 534 HE ARG 61 HE ARG 61 10.578 5.470 15.947 535 HH11 ARG 61 1HH1 ARG 61 12.097 5.138 12.836 536 HH12 ARG 61 2HH1 ARG 61 13.429 4.247 13.477 537 HH21 ARG 61 1HH2 ARG 61 12.307 4.318 16.718 538 HH22 ARG 61 2HH2 ARG 61 13.541 3.783 15.631 539 H LYS 62 H LYS 62 9.554 9.872 17.855 540 HA LYS 62 HA LYS 62 11.404 12.010 18.333 541 HB2 LYS 62 2HB LYS 62 9.625 11.465 19.956 542 HB3 LYS 62 3HB LYS 62 10.295 9.854 20.191 543 HG2 LYS 62 2HG LYS 62 12.332 10.847 21.185 544 HG3 LYS 62 3HG LYS 62 11.656 12.463 20.953 545 HD2 LYS 62 2HD LYS 62 9.788 11.899 22.483 546 HD3 LYS 62 3HD LYS 62 10.447 10.275 22.694 547 HE2 LYS 62 2HE LYS 62 12.491 11.262 23.695 548 HE3 LYS 62 3HE LYS 62 11.787 12.870 23.521 549 HZ1 LYS 62 3HZ LYS 62 10.698 10.655 25.180 550 HZ2 LYS 62 1HZ LYS 62 9.991 12.181 25.000 551 HZ3 LYS 62 2HZ LYS 62 11.496 12.033 25.754 552 H GLN 63 H GLN 63 13.341 11.577 17.349 553 HA GLN 63 HA GLN 63 15.191 9.692 18.559 554 HB2 GLN 63 2HB GLN 63 15.792 8.595 16.365 555 HB3 GLN 63 3HB GLN 63 14.182 8.183 16.943 556 HG2 GLN 63 2HG GLN 63 13.215 9.844 15.349 557 HG3 GLN 63 3HG GLN 63 14.837 10.153 14.726 558 HE21 GLN 63 1HE2 GLN 63 12.489 9.105 13.302 559 HE22 GLN 63 2HE2 GLN 63 12.968 7.579 12.658 560 H LEU 64 H LEU 64 17.344 9.860 16.898 561 HA LEU 64 HA LEU 64 18.157 12.619 17.103 562 HB2 LEU 64 2HB LEU 64 19.637 10.564 17.499 563 HB3 LEU 64 3HB LEU 64 19.677 10.340 15.766 564 HG LEU 64 HG LEU 64 21.736 11.440 16.807 565 HD11 LEU 64 1HD1 LEU 64 20.414 13.085 14.635 566 HD12 LEU 64 2HD1 LEU 64 21.354 11.613 14.391 567 HD13 LEU 64 3HD1 LEU 64 22.136 13.056 15.033 568 HD21 LEU 64 3HD2 LEU 64 21.659 13.829 17.376 569 HD22 LEU 64 1HD2 LEU 64 20.615 12.886 18.440 570 HD23 LEU 64 2HD2 LEU 64 19.912 13.845 17.137 571 H SER 65 H SER 65 17.988 10.363 14.321 572 HA SER 65 HA SER 65 17.457 12.635 12.479 573 HB2 SER 65 2HB SER 65 18.768 9.945 11.876 574 HB3 SER 65 3HB SER 65 18.433 11.203 10.682 575 HG SER 65 HG SER 65 20.385 11.084 12.662 576 H SER 66 H SER 66 15.251 12.696 12.370 577 HA SER 66 HA SER 66 13.570 10.363 12.298 578 HB2 SER 66 2HB SER 66 12.815 12.534 13.267 579 HB3 SER 66 3HB SER 66 12.833 13.249 11.660 580 HG SER 66 HG SER 66 10.754 12.538 12.265 581 H GLU 67 H GLU 67 14.299 9.155 10.574 582 HA GLU 67 HA GLU 67 14.627 10.146 7.911 583 HB2 GLU 67 2HB GLU 67 14.530 7.304 9.009 584 HB3 GLU 67 3HB GLU 67 14.948 7.707 7.345 585 HG2 GLU 67 2HG GLU 67 16.483 8.563 9.819 586 HG3 GLU 67 3HG GLU 67 16.956 7.286 8.700 587 H LEU 68 H LEU 68 12.996 10.682 6.602 588 HA LEU 68 HA LEU 68 10.290 9.792 6.975 589 HB2 LEU 68 2HB LEU 68 9.854 11.188 4.876 590 HB3 LEU 68 3HB LEU 68 10.450 12.013 6.297 591 HG LEU 68 HG LEU 68 12.737 12.106 5.264 592 HD11 LEU 68 1HD1 LEU 68 13.058 11.700 2.866 593 HD12 LEU 68 2HD1 LEU 68 11.433 11.019 2.755 594 HD13 LEU 68 3HD1 LEU 68 12.664 10.216 3.732 595 HD21 LEU 68 3HD2 LEU 68 12.228 13.912 3.679 596 HD22 LEU 68 1HD2 LEU 68 11.222 14.022 5.121 597 HD23 LEU 68 2HD2 LEU 68 10.540 13.401 3.615 598 H GLY 69 H GLY 69 8.952 9.155 4.920 599 HA2 GLY 69 2HA GLY 69 9.641 6.480 4.262 600 HA3 GLY 69 3HA GLY 69 8.313 7.407 3.582 Start of MODEL 20 1 H1 MET 1 1H MET 1 21.321 4.771 16.280 2 H2 MET 1 2H MET 1 19.733 5.290 16.506 3 H3 MET 1 3H MET 1 21.012 6.220 17.089 4 HA MET 1 HA MET 1 20.116 7.216 15.110 5 HB2 MET 1 2HB MET 1 22.836 5.931 14.572 6 HB3 MET 1 3HB MET 1 22.204 7.374 13.781 7 HG2 MET 1 2HG MET 1 22.815 7.138 16.737 8 HG3 MET 1 3HG MET 1 23.857 7.906 15.539 9 HE1 MET 1 3HE MET 1 21.863 11.090 14.542 10 HE2 MET 1 1HE MET 1 22.032 9.563 13.679 11 HE3 MET 1 2HE MET 1 23.428 10.281 14.486 12 H GLY 2 H GLY 2 18.372 6.242 14.089 13 HA2 GLY 2 2HA GLY 2 18.666 3.825 12.482 14 HA3 GLY 2 3HA GLY 2 17.196 4.740 12.754 15 H HIS 3 H HIS 3 20.366 5.166 11.140 16 HA HIS 3 HA HIS 3 18.987 6.331 8.764 17 HB2 HIS 3 2HB HIS 3 21.814 6.895 9.785 18 HB3 HIS 3 3HB HIS 3 21.160 7.497 8.266 19 HD1 HIS 3 HD1 HIS 3 19.794 9.617 8.360 20 HD2 HIS 3 HD2 HIS 3 20.561 8.064 12.136 21 HE1 HIS 3 HE1 HIS 3 19.045 11.379 9.976 22 HE2 HIS 3 HE2 HIS 3 19.710 10.498 12.229 23 H HIS 4 H HIS 4 18.711 3.908 8.442 24 HA HIS 4 HA HIS 4 20.814 2.885 6.658 25 HB2 HIS 4 2HB HIS 4 20.617 0.584 7.724 26 HB3 HIS 4 3HB HIS 4 21.429 1.790 8.710 27 HD1 HIS 4 HD1 HIS 4 18.479 -0.462 8.659 28 HD2 HIS 4 HD2 HIS 4 19.956 2.613 11.037 29 HE1 HIS 4 HE1 HIS 4 17.170 -0.570 10.797 30 HE2 HIS 4 HE2 HIS 4 18.164 1.214 12.260 31 H HIS 5 H HIS 5 19.600 3.075 4.842 32 HA HIS 5 HA HIS 5 16.741 2.592 4.805 33 HB2 HIS 5 2HB HIS 5 18.628 3.299 2.522 34 HB3 HIS 5 3HB HIS 5 16.868 3.325 2.447 35 HD1 HIS 5 HD1 HIS 5 19.726 5.438 3.214 36 HD2 HIS 5 HD2 HIS 5 15.701 5.365 4.254 37 HE1 HIS 5 HE1 HIS 5 19.216 7.730 4.093 38 HE2 HIS 5 HE2 HIS 5 16.837 7.591 4.902 39 H HIS 6 H HIS 6 19.465 1.210 2.914 40 HA HIS 6 HA HIS 6 19.851 -0.758 1.889 41 HB2 HIS 6 2HB HIS 6 19.512 -1.632 4.226 42 HB3 HIS 6 3HB HIS 6 17.826 -1.940 3.843 43 HD1 HIS 6 HD1 HIS 6 17.370 -3.888 2.100 44 HD2 HIS 6 HD2 HIS 6 21.294 -3.588 3.419 45 HE1 HIS 6 HE1 HIS 6 18.453 -6.056 1.478 46 HE2 HIS 6 HE2 HIS 6 20.753 -5.933 2.482 47 H HIS 7 H HIS 7 19.071 -0.216 -0.142 48 HA HIS 7 HA HIS 7 16.369 0.057 -0.869 49 HB2 HIS 7 2HB HIS 7 17.193 0.075 -3.246 50 HB3 HIS 7 3HB HIS 7 18.013 1.203 -2.178 51 HD1 HIS 7 HD1 HIS 7 18.594 -1.930 -4.172 52 HD2 HIS 7 HD2 HIS 7 20.754 0.722 -1.812 53 HE1 HIS 7 HE1 HIS 7 21.010 -2.449 -4.604 54 HE2 HIS 7 HE2 HIS 7 22.284 -0.948 -3.035 55 H HIS 8 H HIS 8 14.829 -1.368 -1.174 56 HA HIS 8 HA HIS 8 15.240 -3.928 -2.525 57 HB2 HIS 8 2HB HIS 8 14.248 -5.294 -0.772 58 HB3 HIS 8 3HB HIS 8 15.582 -4.395 -0.057 59 HD1 HIS 8 HD1 HIS 8 12.231 -5.335 0.662 60 HD2 HIS 8 HD2 HIS 8 14.431 -1.860 1.269 61 HE1 HIS 8 HE1 HIS 8 11.034 -4.085 2.472 62 HE2 HIS 8 HE2 HIS 8 12.489 -2.097 2.956 63 H SER 9 H SER 9 13.515 -1.149 -2.293 64 HA SER 9 HA SER 9 10.794 -1.868 -2.367 65 HB2 SER 9 2HB SER 9 12.227 0.545 -3.537 66 HB3 SER 9 3HB SER 9 10.471 0.364 -3.578 67 HG SER 9 HG SER 9 11.768 1.465 -1.691 68 H HIS 10 H HIS 10 10.331 -3.563 -3.650 69 HA HIS 10 HA HIS 10 11.107 -4.002 -6.337 70 HB2 HIS 10 2HB HIS 10 8.655 -5.058 -4.855 71 HB3 HIS 10 3HB HIS 10 9.314 -5.719 -6.350 72 HD1 HIS 10 HD1 HIS 10 12.002 -6.501 -6.027 73 HD2 HIS 10 HD2 HIS 10 9.574 -6.390 -2.653 74 HE1 HIS 10 HE1 HIS 10 13.140 -7.949 -4.326 75 HE2 HIS 10 HE2 HIS 10 11.635 -7.904 -2.314 76 H MET 11 H MET 11 8.663 -2.032 -4.925 77 HA MET 11 HA MET 11 6.841 -1.696 -7.039 78 HB2 MET 11 2HB MET 11 7.569 0.277 -4.836 79 HB3 MET 11 3HB MET 11 6.130 0.365 -5.845 80 HG2 MET 11 2HG MET 11 5.512 -0.507 -3.714 81 HG3 MET 11 3HG MET 11 5.397 -1.820 -4.884 82 HE1 MET 11 3HE MET 11 6.454 -3.581 -1.529 83 HE2 MET 11 1HE MET 11 5.237 -3.492 -2.799 84 HE3 MET 11 2HE MET 11 5.429 -2.152 -1.669 85 H SER 12 H SER 12 6.603 -0.081 -8.595 86 HA SER 12 HA SER 12 9.028 1.160 -9.671 87 HB2 SER 12 2HB SER 12 7.331 0.056 -11.155 88 HB3 SER 12 3HB SER 12 6.148 1.269 -10.669 89 HG SER 12 HG SER 12 8.094 1.417 -12.551 90 H HIS 13 H HIS 13 8.865 3.567 -10.402 91 HA HIS 13 HA HIS 13 8.764 5.252 -8.186 92 HB2 HIS 13 2HB HIS 13 10.028 5.801 -10.230 93 HB3 HIS 13 3HB HIS 13 8.536 6.017 -11.130 94 HD1 HIS 13 HD1 HIS 13 10.823 7.752 -8.750 95 HD2 HIS 13 HD2 HIS 13 7.178 8.491 -10.609 96 HE1 HIS 13 HE1 HIS 13 10.398 10.203 -8.460 97 HE2 HIS 13 HE2 HIS 13 8.236 10.646 -9.661 98 H THR 14 H THR 14 6.354 5.250 -10.860 99 HA THR 14 HA THR 14 4.468 7.000 -9.679 100 HB THR 14 HB THR 14 3.906 4.808 -11.738 101 HG1 THR 14 HG1 THR 14 4.650 6.173 -13.262 102 HG21 THR 14 3HG2 THR 14 2.079 6.279 -12.512 103 HG22 THR 14 1HG2 THR 14 2.458 7.448 -11.249 104 HG23 THR 14 2HG2 THR 14 1.841 5.851 -10.817 105 H GLN 15 H GLN 15 4.883 3.524 -9.501 106 HA GLN 15 HA GLN 15 2.384 2.767 -8.393 107 HB2 GLN 15 2HB GLN 15 3.902 1.268 -9.619 108 HB3 GLN 15 3HB GLN 15 5.112 1.415 -8.351 109 HG2 GLN 15 2HG GLN 15 3.762 0.162 -6.809 110 HG3 GLN 15 3HG GLN 15 2.369 0.214 -7.899 111 HE21 GLN 15 1HE2 GLN 15 2.402 -1.095 -9.778 112 HE22 GLN 15 2HE2 GLN 15 3.477 -2.433 -9.924 113 H VAL 16 H VAL 16 5.528 3.548 -6.876 114 HA VAL 16 HA VAL 16 4.799 3.243 -4.170 115 HB VAL 16 HB VAL 16 6.843 5.192 -5.363 116 HG11 VAL 16 1HG1 VAL 16 6.230 5.910 -3.088 117 HG12 VAL 16 2HG1 VAL 16 7.876 5.285 -3.110 118 HG13 VAL 16 3HG1 VAL 16 6.566 4.295 -2.462 119 HG21 VAL 16 3HG2 VAL 16 7.277 2.423 -4.167 120 HG22 VAL 16 1HG2 VAL 16 8.543 3.504 -4.761 121 HG23 VAL 16 2HG2 VAL 16 7.358 2.834 -5.879 122 H ILE 17 H ILE 17 4.535 6.081 -6.368 123 HA ILE 17 HA ILE 17 3.540 8.003 -4.576 124 HB ILE 17 HB ILE 17 2.910 7.679 -7.549 125 HG12 ILE 17 2HG1 ILE 17 4.992 9.438 -6.160 126 HG13 ILE 17 3HG1 ILE 17 5.333 7.963 -7.055 127 HG21 ILE 17 1HG2 ILE 17 2.472 10.142 -5.818 128 HG22 ILE 17 2HG2 ILE 17 1.211 9.119 -6.503 129 HG23 ILE 17 3HG2 ILE 17 2.251 10.062 -7.568 130 HD11 ILE 17 3HD1 ILE 17 4.534 9.043 -9.116 131 HD12 ILE 17 1HD1 ILE 17 5.883 9.903 -8.375 132 HD13 ILE 17 2HD1 ILE 17 4.244 10.531 -8.209 133 H GLU 18 H GLU 18 1.786 5.544 -6.449 134 HA GLU 18 HA GLU 18 -0.863 6.231 -5.737 135 HB2 GLU 18 2HB GLU 18 0.385 3.591 -6.582 136 HB3 GLU 18 3HB GLU 18 -1.350 3.833 -6.430 137 HG2 GLU 18 2HG GLU 18 0.409 5.472 -8.273 138 HG3 GLU 18 3HG GLU 18 -0.420 4.005 -8.776 139 H LEU 19 H LEU 19 1.410 3.894 -4.287 140 HA LEU 19 HA LEU 19 -0.187 3.028 -2.115 141 HB2 LEU 19 2HB LEU 19 2.829 3.221 -2.438 142 HB3 LEU 19 3HB LEU 19 2.061 2.434 -1.073 143 HG LEU 19 HG LEU 19 1.589 1.503 -3.925 144 HD11 LEU 19 1HD1 LEU 19 3.994 1.392 -3.517 145 HD12 LEU 19 2HD1 LEU 19 3.288 -0.218 -3.587 146 HD13 LEU 19 3HD1 LEU 19 3.720 0.487 -2.027 147 HD21 LEU 19 3HD2 LEU 19 0.918 -0.598 -2.866 148 HD22 LEU 19 1HD2 LEU 19 -0.048 0.743 -2.259 149 HD23 LEU 19 2HD2 LEU 19 1.249 0.075 -1.266 150 H GLU 20 H GLU 20 1.902 5.902 -2.516 151 HA GLU 20 HA GLU 20 1.960 6.733 0.216 152 HB2 GLU 20 2HB GLU 20 2.543 8.233 -2.372 153 HB3 GLU 20 3HB GLU 20 2.729 8.972 -0.785 154 HG2 GLU 20 2HG GLU 20 4.444 7.316 -0.195 155 HG3 GLU 20 3HG GLU 20 4.240 6.523 -1.754 156 H ARG 21 H ARG 21 -0.122 7.564 -2.541 157 HA ARG 21 HA ARG 21 -1.704 9.585 -1.389 158 HB2 ARG 21 2HB ARG 21 -2.459 7.477 -3.460 159 HB3 ARG 21 3HB ARG 21 -3.442 8.890 -3.085 160 HG2 ARG 21 2HG ARG 21 -1.703 10.383 -3.917 161 HG3 ARG 21 3HG ARG 21 -0.613 9.019 -4.175 162 HD2 ARG 21 2HD ARG 21 -1.626 9.739 -6.292 163 HD3 ARG 21 3HD ARG 21 -2.141 8.102 -5.876 164 HE ARG 21 HE ARG 21 -3.921 10.288 -5.101 165 HH11 ARG 21 1HH1 ARG 21 -3.307 7.746 -7.407 166 HH12 ARG 21 2HH1 ARG 21 -4.928 7.779 -8.005 167 HH21 ARG 21 1HH2 ARG 21 -5.970 10.283 -5.900 168 HH22 ARG 21 2HH2 ARG 21 -6.416 9.186 -7.160 169 H LYS 22 H LYS 22 -2.046 6.058 -1.328 170 HA LYS 22 HA LYS 22 -4.514 5.992 0.136 171 HB2 LYS 22 2HB LYS 22 -3.727 4.198 -1.437 172 HB3 LYS 22 3HB LYS 22 -2.449 3.786 -0.301 173 HG2 LYS 22 2HG LYS 22 -4.343 2.216 -0.184 174 HG3 LYS 22 3HG LYS 22 -4.098 3.058 1.346 175 HD2 LYS 22 2HD LYS 22 -5.992 4.531 0.902 176 HD3 LYS 22 3HD LYS 22 -6.178 3.874 -0.726 177 HE2 LYS 22 2HE LYS 22 -6.899 1.738 0.149 178 HE3 LYS 22 3HE LYS 22 -6.500 2.222 1.798 179 HZ1 LYS 22 3HZ LYS 22 -8.255 3.795 1.798 180 HZ2 LYS 22 1HZ LYS 22 -8.902 2.340 1.237 181 HZ3 LYS 22 2HZ LYS 22 -8.554 3.585 0.148 182 H PHE 23 H PHE 23 -1.095 5.582 1.001 183 HA PHE 23 HA PHE 23 -1.386 4.952 3.728 184 HB2 PHE 23 2HB PHE 23 0.721 4.589 2.460 185 HB3 PHE 23 3HB PHE 23 0.956 6.333 2.339 186 HD1 PHE 23 HD2 PHE 23 0.650 3.549 4.811 187 HD2 PHE 23 HD1 PHE 23 2.096 7.502 4.099 188 HE1 PHE 23 HE2 PHE 23 1.763 3.530 6.990 189 HE2 PHE 23 HE1 PHE 23 3.200 7.483 6.283 190 HZ PHE 23 HZ PHE 23 3.033 5.503 7.735 191 H SER 24 H SER 24 -1.114 8.064 2.066 192 HA SER 24 HA SER 24 -0.833 9.785 4.267 193 HB2 SER 24 2HB SER 24 -0.427 10.531 1.974 194 HB3 SER 24 3HB SER 24 -2.125 10.307 1.562 195 HG SER 24 HG SER 24 -2.533 12.203 2.378 196 H HIS 25 H HIS 25 -3.672 8.145 3.030 197 HA HIS 25 HA HIS 25 -5.516 9.674 4.708 198 HB2 HIS 25 2HB HIS 25 -5.931 7.345 2.790 199 HB3 HIS 25 3HB HIS 25 -7.229 8.097 3.711 200 HD1 HIS 25 HD1 HIS 25 -8.468 8.912 1.612 201 HD2 HIS 25 HD2 HIS 25 -4.580 10.344 1.850 202 HE1 HIS 25 HE1 HIS 25 -8.294 10.686 -0.142 203 HE2 HIS 25 HE2 HIS 25 -6.000 11.664 0.151 204 H GLN 26 H GLN 26 -4.042 6.408 4.595 205 HA GLN 26 HA GLN 26 -4.783 5.937 7.396 206 HB2 GLN 26 2HB GLN 26 -5.849 3.750 6.905 207 HB3 GLN 26 3HB GLN 26 -6.737 5.110 6.232 208 HG2 GLN 26 2HG GLN 26 -5.694 4.620 4.003 209 HG3 GLN 26 3HG GLN 26 -4.962 3.180 4.721 210 HE21 GLN 26 1HE2 GLN 26 -6.348 1.464 5.349 211 HE22 GLN 26 2HE2 GLN 26 -7.937 1.307 4.701 212 H LYS 27 H LYS 27 -3.351 4.763 8.508 213 HA LYS 27 HA LYS 27 -0.806 3.998 7.414 214 HB2 LYS 27 2HB LYS 27 -1.983 3.422 10.167 215 HB3 LYS 27 3HB LYS 27 -0.285 3.278 9.732 216 HG2 LYS 27 2HG LYS 27 -1.894 5.842 9.898 217 HG3 LYS 27 3HG LYS 27 -0.654 5.297 11.030 218 HD2 LYS 27 2HD LYS 27 1.008 5.400 9.129 219 HD3 LYS 27 3HD LYS 27 -0.254 6.127 8.131 220 HE2 LYS 27 2HE LYS 27 1.132 7.899 8.982 221 HE3 LYS 27 3HE LYS 27 -0.412 7.987 9.830 222 HZ1 LYS 27 3HZ LYS 27 1.444 8.265 11.338 223 HZ2 LYS 27 1HZ LYS 27 2.083 6.763 10.882 224 HZ3 LYS 27 2HZ LYS 27 0.608 6.842 11.703 225 H TYR 28 H TYR 28 -3.627 2.240 8.602 226 HA TYR 28 HA TYR 28 -2.509 -0.374 7.732 227 HB2 TYR 28 2HB TYR 28 -4.756 0.071 9.753 228 HB3 TYR 28 3HB TYR 28 -3.927 -1.439 9.399 229 HD1 TYR 28 HD2 TYR 28 -1.636 -1.854 10.316 230 HD2 TYR 28 HD1 TYR 28 -3.768 1.737 11.238 231 HE1 TYR 28 HE2 TYR 28 -0.099 -1.415 12.186 232 HE2 TYR 28 HE1 TYR 28 -2.243 2.172 13.101 233 HH TYR 28 HH TYR 28 -0.749 0.940 14.583 234 H LEU 29 H LEU 29 -3.719 -1.581 6.270 235 HA LEU 29 HA LEU 29 -6.107 -0.310 5.076 236 HB2 LEU 29 2HB LEU 29 -4.402 -2.606 4.042 237 HB3 LEU 29 3HB LEU 29 -5.694 -1.806 3.159 238 HG LEU 29 HG LEU 29 -3.044 -0.556 3.973 239 HD11 LEU 29 1HD1 LEU 29 -2.836 -2.150 2.122 240 HD12 LEU 29 2HD1 LEU 29 -2.539 -0.496 1.598 241 HD13 LEU 29 3HD1 LEU 29 -4.079 -1.275 1.220 242 HD21 LEU 29 3HD2 LEU 29 -5.354 0.684 2.452 243 HD22 LEU 29 1HD2 LEU 29 -3.762 1.412 2.679 244 HD23 LEU 29 2HD2 LEU 29 -4.803 1.126 4.070 245 H SER 30 H SER 30 -8.108 -1.362 4.888 246 HA SER 30 HA SER 30 -8.705 -3.660 6.522 247 HB2 SER 30 2HB SER 30 -10.338 -2.388 4.286 248 HB3 SER 30 3HB SER 30 -10.946 -3.578 5.432 249 HG SER 30 HG SER 30 -10.850 -0.940 5.689 250 H ALA 31 H ALA 31 -9.561 -5.742 5.604 251 HA ALA 31 HA ALA 31 -7.791 -7.027 3.896 252 HB1 ALA 31 3HB ALA 31 -10.636 -7.897 4.507 253 HB2 ALA 31 1HB ALA 31 -9.220 -8.218 5.511 254 HB3 ALA 31 2HB ALA 31 -9.336 -8.924 3.899 255 HA PRO 32 HA PRO 32 -10.867 -6.250 0.100 256 HB2 PRO 32 2HB PRO 32 -12.316 -3.862 0.360 257 HB3 PRO 32 3HB PRO 32 -12.991 -5.484 0.604 258 HG2 PRO 32 2HG PRO 32 -11.974 -3.539 2.649 259 HG3 PRO 32 3HG PRO 32 -13.433 -4.557 2.692 260 HD2 PRO 32 2HD PRO 32 -11.242 -5.270 4.058 261 HD3 PRO 32 3HD PRO 32 -12.219 -6.502 3.227 262 H GLU 33 H GLU 33 -9.809 -3.285 1.933 263 HA GLU 33 HA GLU 33 -9.114 -1.798 -0.371 264 HB2 GLU 33 2HB GLU 33 -8.216 -1.439 2.515 265 HB3 GLU 33 3HB GLU 33 -7.989 -0.242 1.240 266 HG2 GLU 33 2HG GLU 33 -10.432 -0.040 0.980 267 HG3 GLU 33 3HG GLU 33 -10.670 -1.252 2.240 268 H ARG 34 H ARG 34 -7.165 -3.959 1.650 269 HA ARG 34 HA ARG 34 -4.619 -3.212 0.546 270 HB2 ARG 34 2HB ARG 34 -4.891 -4.226 2.814 271 HB3 ARG 34 3HB ARG 34 -5.391 -5.736 2.066 272 HG2 ARG 34 2HG ARG 34 -3.138 -5.903 0.981 273 HG3 ARG 34 3HG ARG 34 -2.656 -4.428 1.828 274 HD2 ARG 34 2HD ARG 34 -1.853 -6.476 2.972 275 HD3 ARG 34 3HD ARG 34 -2.950 -5.539 3.993 276 HE ARG 34 HE ARG 34 -3.856 -7.889 2.446 277 HH11 ARG 34 1HH1 ARG 34 -3.746 -6.195 5.474 278 HH12 ARG 34 2HH1 ARG 34 -4.802 -7.326 6.246 279 HH21 ARG 34 1HH2 ARG 34 -5.223 -9.269 3.449 280 HH22 ARG 34 2HH2 ARG 34 -5.619 -9.049 5.118 281 H ALA 35 H ALA 35 -6.907 -5.877 -0.007 282 HA ALA 35 HA ALA 35 -5.463 -7.271 -2.009 283 HB1 ALA 35 3HB ALA 35 -7.600 -8.413 -2.448 284 HB2 ALA 35 1HB ALA 35 -8.461 -7.196 -1.495 285 HB3 ALA 35 2HB ALA 35 -7.305 -8.277 -0.717 286 H HIS 36 H HIS 36 -7.876 -4.672 -2.183 287 HA HIS 36 HA HIS 36 -8.142 -4.583 -5.019 288 HB2 HIS 36 2HB HIS 36 -8.829 -2.572 -2.843 289 HB3 HIS 36 3HB HIS 36 -9.098 -2.225 -4.548 290 HD1 HIS 36 HD1 HIS 36 -11.671 -2.081 -4.151 291 HD2 HIS 36 HD2 HIS 36 -10.045 -5.785 -3.234 292 HE1 HIS 36 HE1 HIS 36 -13.620 -3.630 -3.892 293 HE2 HIS 36 HE2 HIS 36 -12.597 -5.899 -3.558 294 H LEU 37 H LEU 37 -6.220 -2.609 -2.713 295 HA LEU 37 HA LEU 37 -4.951 -0.935 -4.625 296 HB2 LEU 37 2HB LEU 37 -5.039 -0.458 -2.192 297 HB3 LEU 37 3HB LEU 37 -3.973 -1.817 -1.882 298 HG LEU 37 HG LEU 37 -2.150 -0.641 -3.141 299 HD11 LEU 37 1HD1 LEU 37 -4.057 1.716 -3.257 300 HD12 LEU 37 2HD1 LEU 37 -3.486 0.762 -4.629 301 HD13 LEU 37 3HD1 LEU 37 -2.346 1.735 -3.706 302 HD21 LEU 37 3HD2 LEU 37 -2.201 -0.477 -0.729 303 HD22 LEU 37 1HD2 LEU 37 -3.318 0.887 -0.798 304 HD23 LEU 37 2HD2 LEU 37 -1.670 1.058 -1.406 305 H ALA 38 H ALA 38 -4.094 -4.102 -3.306 306 HA ALA 38 HA ALA 38 -1.566 -4.465 -4.478 307 HB1 ALA 38 3HB ALA 38 -1.919 -6.874 -4.108 308 HB2 ALA 38 1HB ALA 38 -3.640 -6.588 -3.815 309 HB3 ALA 38 2HB ALA 38 -2.433 -5.938 -2.707 310 H LYS 39 H LYS 39 -4.833 -5.431 -5.757 311 HA LYS 39 HA LYS 39 -3.713 -6.432 -8.221 312 HB2 LYS 39 2HB LYS 39 -5.969 -6.844 -8.968 313 HB3 LYS 39 3HB LYS 39 -5.818 -7.333 -7.288 314 HG2 LYS 39 2HG LYS 39 -6.989 -5.276 -6.578 315 HG3 LYS 39 3HG LYS 39 -7.141 -4.777 -8.262 316 HD2 LYS 39 2HD LYS 39 -8.355 -7.302 -7.072 317 HD3 LYS 39 3HD LYS 39 -9.230 -5.798 -7.355 318 HE2 LYS 39 2HE LYS 39 -7.918 -7.482 -9.519 319 HE3 LYS 39 3HE LYS 39 -9.637 -7.488 -9.128 320 HZ1 LYS 39 3HZ LYS 39 -8.068 -5.202 -10.196 321 HZ2 LYS 39 1HZ LYS 39 -9.685 -5.099 -9.704 322 HZ3 LYS 39 2HZ LYS 39 -9.257 -6.087 -11.006 323 H ASN 40 H ASN 40 -4.925 -3.269 -7.262 324 HA ASN 40 HA ASN 40 -5.213 -2.049 -9.804 325 HB2 ASN 40 2HB ASN 40 -4.437 -0.809 -7.122 326 HB3 ASN 40 3HB ASN 40 -4.763 0.142 -8.566 327 HD21 ASN 40 1HD2 ASN 40 -6.139 0.159 -5.994 328 HD22 ASN 40 2HD2 ASN 40 -7.789 -0.206 -6.329 329 H LEU 41 H LEU 41 -2.415 -2.632 -7.772 330 HA LEU 41 HA LEU 41 -0.577 -1.388 -9.743 331 HB2 LEU 41 2HB LEU 41 -0.172 -2.058 -6.803 332 HB3 LEU 41 3HB LEU 41 1.002 -1.255 -7.834 333 HG LEU 41 HG LEU 41 -1.721 -0.108 -7.081 334 HD11 LEU 41 1HD1 LEU 41 1.020 0.655 -6.042 335 HD12 LEU 41 2HD1 LEU 41 -0.246 -0.185 -5.140 336 HD13 LEU 41 3HD1 LEU 41 -0.500 1.475 -5.673 337 HD21 LEU 41 3HD2 LEU 41 0.572 1.186 -8.598 338 HD22 LEU 41 1HD2 LEU 41 -0.933 1.969 -8.112 339 HD23 LEU 41 2HD2 LEU 41 -0.967 0.663 -9.290 340 H LYS 42 H LYS 42 -1.779 -4.376 -9.221 341 HA LYS 42 HA LYS 42 -1.173 -6.522 -9.584 342 HB2 LYS 42 2HB LYS 42 0.999 -5.205 -11.252 343 HB3 LYS 42 3HB LYS 42 0.588 -6.912 -11.344 344 HG2 LYS 42 2HG LYS 42 -1.358 -4.661 -11.945 345 HG3 LYS 42 3HG LYS 42 -0.398 -5.485 -13.172 346 HD2 LYS 42 2HD LYS 42 -1.509 -7.620 -12.626 347 HD3 LYS 42 3HD LYS 42 -2.445 -6.825 -11.359 348 HE2 LYS 42 2HE LYS 42 -2.605 -6.117 -14.312 349 HE3 LYS 42 3HE LYS 42 -3.730 -7.193 -13.484 350 HZ1 LYS 42 3HZ LYS 42 -4.368 -5.352 -12.043 351 HZ2 LYS 42 1HZ LYS 42 -4.616 -4.960 -13.673 352 HZ3 LYS 42 2HZ LYS 42 -3.293 -4.323 -12.843 353 H LEU 43 H LEU 43 0.024 -5.134 -7.275 354 HA LEU 43 HA LEU 43 2.474 -6.618 -6.631 355 HB2 LEU 43 2HB LEU 43 0.857 -4.603 -5.016 356 HB3 LEU 43 3HB LEU 43 2.347 -5.346 -4.455 357 HG LEU 43 HG LEU 43 2.123 -3.516 -6.874 358 HD11 LEU 43 1HD1 LEU 43 3.271 -1.834 -5.502 359 HD12 LEU 43 2HD1 LEU 43 3.189 -2.906 -4.102 360 HD13 LEU 43 3HD1 LEU 43 1.705 -2.272 -4.820 361 HD21 LEU 43 3HD2 LEU 43 4.589 -3.502 -6.829 362 HD22 LEU 43 1HD2 LEU 43 3.952 -5.118 -7.126 363 HD23 LEU 43 2HD2 LEU 43 4.580 -4.697 -5.529 364 H THR 44 H THR 44 2.450 -7.507 -4.239 365 HA THR 44 HA THR 44 0.094 -9.270 -3.852 366 HB THR 44 HB THR 44 1.579 -10.562 -2.296 367 HG1 THR 44 HG1 THR 44 3.981 -9.776 -2.947 368 HG21 THR 44 3HG2 THR 44 1.429 -11.300 -4.637 369 HG22 THR 44 1HG2 THR 44 3.048 -11.579 -4.000 370 HG23 THR 44 2HG2 THR 44 2.749 -10.214 -5.078 371 H GLU 45 H GLU 45 -0.969 -9.303 -1.855 372 HA GLU 45 HA GLU 45 -1.223 -7.009 -0.289 373 HB2 GLU 45 2HB GLU 45 -1.871 -9.896 0.431 374 HB3 GLU 45 3HB GLU 45 -2.394 -8.507 1.378 375 HG2 GLU 45 2HG GLU 45 -3.670 -7.679 -0.595 376 HG3 GLU 45 3HG GLU 45 -3.199 -9.132 -1.475 377 H THR 46 H THR 46 1.008 -9.704 0.100 378 HA THR 46 HA THR 46 2.026 -9.145 2.673 379 HB THR 46 HB THR 46 3.466 -10.410 0.290 380 HG1 THR 46 HG1 THR 46 2.186 -11.719 2.482 381 HG21 THR 46 3HG2 THR 46 5.073 -9.713 2.046 382 HG22 THR 46 1HG2 THR 46 4.938 -11.482 1.961 383 HG23 THR 46 2HG2 THR 46 4.135 -10.590 3.251 384 H GLN 47 H GLN 47 3.359 -8.201 -0.565 385 HA GLN 47 HA GLN 47 5.448 -6.559 0.403 386 HB2 GLN 47 2HB GLN 47 4.008 -6.565 -2.272 387 HB3 GLN 47 3HB GLN 47 5.381 -5.520 -1.941 388 HG2 GLN 47 2HG GLN 47 6.740 -7.582 -1.470 389 HG3 GLN 47 3HG GLN 47 5.370 -8.544 -2.024 390 HE21 GLN 47 1HE2 GLN 47 4.704 -6.535 -4.166 391 HE22 GLN 47 2HE2 GLN 47 5.883 -6.798 -5.391 392 H VAL 48 H VAL 48 2.108 -5.718 -0.521 393 HA VAL 48 HA VAL 48 2.281 -2.917 -0.233 394 HB VAL 48 HB VAL 48 -0.125 -4.765 0.154 395 HG11 VAL 48 1HG1 VAL 48 -0.120 -1.744 -0.222 396 HG12 VAL 48 2HG1 VAL 48 -0.592 -2.615 1.237 397 HG13 VAL 48 3HG1 VAL 48 -1.554 -2.776 -0.229 398 HG21 VAL 48 3HG2 VAL 48 0.727 -3.144 -2.283 399 HG22 VAL 48 1HG2 VAL 48 -0.720 -4.151 -2.162 400 HG23 VAL 48 2HG2 VAL 48 0.879 -4.891 -2.103 401 H LYS 49 H LYS 49 1.382 -5.442 2.139 402 HA LYS 49 HA LYS 49 0.959 -3.820 4.411 403 HB2 LYS 49 2HB LYS 49 0.251 -6.173 4.252 404 HB3 LYS 49 3HB LYS 49 1.926 -6.698 4.191 405 HG2 LYS 49 2HG LYS 49 2.200 -5.754 6.539 406 HG3 LYS 49 3HG LYS 49 0.453 -5.499 6.559 407 HD2 LYS 49 2HD LYS 49 1.024 -7.623 7.672 408 HD3 LYS 49 3HD LYS 49 0.087 -7.925 6.208 409 HE2 LYS 49 2HE LYS 49 2.221 -8.432 4.996 410 HE3 LYS 49 3HE LYS 49 3.096 -8.227 6.514 411 HZ1 LYS 49 3HZ LYS 49 1.006 -10.267 5.966 412 HZ2 LYS 49 1HZ LYS 49 1.808 -10.070 7.441 413 HZ3 LYS 49 2HZ LYS 49 2.672 -10.555 6.068 414 H ILE 50 H ILE 50 3.937 -5.335 3.165 415 HA ILE 50 HA ILE 50 5.704 -4.580 5.271 416 HB ILE 50 HB ILE 50 6.268 -5.362 2.374 417 HG12 ILE 50 2HG1 ILE 50 6.584 -6.963 4.963 418 HG13 ILE 50 3HG1 ILE 50 5.260 -7.142 3.819 419 HG21 ILE 50 1HG2 ILE 50 8.645 -5.689 3.025 420 HG22 ILE 50 2HG2 ILE 50 8.302 -5.007 4.616 421 HG23 ILE 50 3HG2 ILE 50 8.154 -4.001 3.175 422 HD11 ILE 50 3HD1 ILE 50 6.845 -7.907 2.114 423 HD12 ILE 50 1HD1 ILE 50 6.875 -8.914 3.560 424 HD13 ILE 50 2HD1 ILE 50 8.165 -7.746 3.277 425 H TRP 51 H TRP 51 4.917 -3.058 2.136 426 HA TRP 51 HA TRP 51 6.716 -0.898 2.221 427 HB2 TRP 51 2HB TRP 51 5.337 -1.609 0.210 428 HB3 TRP 51 3HB TRP 51 3.921 -0.897 0.974 429 HD1 TRP 51 HD1 TRP 51 7.050 0.058 -0.993 430 HE1 TRP 51 HE1 TRP 51 6.957 2.554 -1.587 431 HE3 TRP 51 HE3 TRP 51 3.059 1.419 1.873 432 HZ2 TRP 51 HZ2 TRP 51 5.394 4.802 -0.925 433 HZ3 TRP 51 HZ3 TRP 51 2.327 3.760 1.851 434 HH2 TRP 51 HH2 TRP 51 3.476 5.420 0.480 435 H PHE 52 H PHE 52 3.254 -0.976 3.128 436 HA PHE 52 HA PHE 52 3.060 1.462 4.461 437 HB2 PHE 52 2HB PHE 52 1.487 -1.115 4.642 438 HB3 PHE 52 3HB PHE 52 1.131 0.189 5.770 439 HD1 PHE 52 HD1 PHE 52 1.637 -0.239 2.038 440 HD2 PHE 52 HD2 PHE 52 -0.594 1.665 5.147 441 HE1 PHE 52 HE1 PHE 52 0.227 0.865 0.356 442 HE2 PHE 52 HE2 PHE 52 -1.997 2.761 3.457 443 HZ PHE 52 HZ PHE 52 -1.591 2.369 1.061 444 H GLN 53 H GLN 53 4.318 -1.626 5.705 445 HA GLN 53 HA GLN 53 4.532 -1.021 8.449 446 HB2 GLN 53 2HB GLN 53 4.931 -3.288 7.518 447 HB3 GLN 53 3HB GLN 53 6.397 -2.716 6.736 448 HG2 GLN 53 2HG GLN 53 7.287 -2.192 9.071 449 HG3 GLN 53 3HG GLN 53 5.902 -3.082 9.703 450 HE21 GLN 53 1HE2 GLN 53 8.710 -3.724 10.037 451 HE22 GLN 53 2HE2 GLN 53 8.947 -5.290 9.350 452 H ASN 54 H ASN 54 7.024 -0.653 5.896 453 HA ASN 54 HA ASN 54 8.981 0.642 7.481 454 HB2 ASN 54 2HB ASN 54 8.584 0.771 4.463 455 HB3 ASN 54 3HB ASN 54 10.018 1.344 5.301 456 HD21 ASN 54 1HD2 ASN 54 8.464 -1.363 3.935 457 HD22 ASN 54 2HD2 ASN 54 9.625 -2.548 4.411 458 H ARG 55 H ARG 55 6.385 1.984 5.454 459 HA ARG 55 HA ARG 55 7.140 4.709 5.839 460 HB2 ARG 55 2HB ARG 55 4.746 3.327 4.674 461 HB3 ARG 55 3HB ARG 55 4.591 5.022 5.103 462 HG2 ARG 55 2HG ARG 55 5.139 4.981 2.810 463 HG3 ARG 55 3HG ARG 55 6.601 5.495 3.642 464 HD2 ARG 55 2HD ARG 55 6.195 2.600 2.870 465 HD3 ARG 55 3HD ARG 55 6.756 3.770 1.687 466 HE ARG 55 HE ARG 55 8.329 3.694 4.104 467 HH11 ARG 55 1HH1 ARG 55 7.907 2.273 0.967 468 HH12 ARG 55 2HH1 ARG 55 9.562 1.791 0.849 469 HH21 ARG 55 1HH2 ARG 55 10.471 3.059 3.896 470 HH22 ARG 55 2HH2 ARG 55 10.974 2.222 2.470 471 H ARG 56 H ARG 56 5.068 2.528 7.754 472 HA ARG 56 HA ARG 56 4.095 4.559 9.551 473 HB2 ARG 56 2HB ARG 56 4.357 1.540 9.839 474 HB3 ARG 56 3HB ARG 56 3.709 2.554 11.124 475 HG2 ARG 56 2HG ARG 56 1.884 3.290 9.644 476 HG3 ARG 56 3HG ARG 56 2.537 2.305 8.335 477 HD2 ARG 56 2HD ARG 56 1.448 1.280 10.983 478 HD3 ARG 56 3HD ARG 56 0.648 1.178 9.415 479 HE ARG 56 HE ARG 56 2.385 -0.365 8.700 480 HH11 ARG 56 1HH1 ARG 56 2.239 0.166 12.128 481 HH12 ARG 56 2HH1 ARG 56 2.985 -1.347 12.492 482 HH21 ARG 56 1HH2 ARG 56 3.322 -2.299 9.225 483 HH22 ARG 56 2HH2 ARG 56 3.591 -2.707 10.882 484 H TYR 57 H TYR 57 6.948 2.495 9.438 485 HA TYR 57 HA TYR 57 8.217 3.378 11.834 486 HB2 TYR 57 2HB TYR 57 8.895 1.293 10.783 487 HB3 TYR 57 3HB TYR 57 9.268 2.104 9.272 488 HD1 TYR 57 HD1 TYR 57 10.444 1.606 12.787 489 HD2 TYR 57 HD2 TYR 57 11.452 3.073 8.897 490 HE1 TYR 57 HE1 TYR 57 12.803 1.778 13.461 491 HE2 TYR 57 HE2 TYR 57 13.808 3.248 9.574 492 HH TYR 57 HH TYR 57 15.055 1.796 12.351 493 H LYS 58 H LYS 58 7.884 4.791 8.640 494 HA LYS 58 HA LYS 58 9.965 6.812 8.971 495 HB2 LYS 58 2HB LYS 58 7.771 6.449 6.901 496 HB3 LYS 58 3HB LYS 58 8.834 7.850 6.900 497 HG2 LYS 58 2HG LYS 58 10.756 6.510 6.403 498 HG3 LYS 58 3HG LYS 58 9.874 5.012 6.707 499 HD2 LYS 58 2HD LYS 58 10.150 5.368 4.296 500 HD3 LYS 58 3HD LYS 58 8.449 5.429 4.740 501 HE2 LYS 58 2HE LYS 58 8.857 7.165 3.130 502 HE3 LYS 58 3HE LYS 58 8.601 7.946 4.688 503 HZ1 LYS 58 3HZ LYS 58 10.950 8.277 4.911 504 HZ2 LYS 58 1HZ LYS 58 10.466 8.872 3.404 505 HZ3 LYS 58 2HZ LYS 58 11.270 7.389 3.509 506 H THR 59 H THR 59 6.625 6.473 9.939 507 HA THR 59 HA THR 59 6.224 9.394 10.234 508 HB THR 59 HB THR 59 3.828 8.825 10.794 509 HG1 THR 59 HG1 THR 59 4.635 6.422 11.149 510 HG21 THR 59 3HG2 THR 59 4.406 9.496 8.503 511 HG22 THR 59 1HG2 THR 59 3.118 8.286 8.494 512 HG23 THR 59 2HG2 THR 59 4.772 7.820 8.090 513 H LYS 60 H LYS 60 5.286 10.168 12.298 514 HA LYS 60 HA LYS 60 5.547 10.643 14.484 515 HB2 LYS 60 2HB LYS 60 4.461 8.428 14.878 516 HB3 LYS 60 3HB LYS 60 6.045 7.671 14.923 517 HG2 LYS 60 2HG LYS 60 6.601 8.834 16.987 518 HG3 LYS 60 3HG LYS 60 5.125 9.799 16.887 519 HD2 LYS 60 2HD LYS 60 4.863 7.990 18.539 520 HD3 LYS 60 3HD LYS 60 3.754 7.769 17.188 521 HE2 LYS 60 2HE LYS 60 5.342 6.093 16.218 522 HE3 LYS 60 3HE LYS 60 6.353 6.269 17.653 523 HZ1 LYS 60 3HZ LYS 60 3.524 5.349 17.657 524 HZ2 LYS 60 1HZ LYS 60 4.539 5.458 19.007 525 HZ3 LYS 60 2HZ LYS 60 4.876 4.343 17.785 526 H ARG 61 H ARG 61 7.959 9.725 12.508 527 HA ARG 61 HA ARG 61 10.277 9.870 14.213 528 HB2 ARG 61 2HB ARG 61 10.248 8.645 12.026 529 HB3 ARG 61 3HB ARG 61 9.977 10.164 11.185 530 HG2 ARG 61 2HG ARG 61 12.284 9.620 10.926 531 HG3 ARG 61 3HG ARG 61 12.203 10.964 12.062 532 HD2 ARG 61 2HD ARG 61 12.505 9.394 13.947 533 HD3 ARG 61 3HD ARG 61 12.567 8.039 12.810 534 HE ARG 61 HE ARG 61 14.529 9.767 11.968 535 HH11 ARG 61 1HH1 ARG 61 13.921 8.089 14.951 536 HH12 ARG 61 2HH1 ARG 61 15.598 7.989 15.349 537 HH21 ARG 61 1HH2 ARG 61 16.649 9.619 12.508 538 HH22 ARG 61 2HH2 ARG 61 17.122 8.854 13.987 539 H LYS 62 H LYS 62 10.868 11.764 15.143 540 HA LYS 62 HA LYS 62 9.622 14.254 14.517 541 HB2 LYS 62 2HB LYS 62 10.238 13.586 16.823 542 HB3 LYS 62 3HB LYS 62 11.943 13.664 16.396 543 HG2 LYS 62 2HG LYS 62 11.682 16.120 15.961 544 HG3 LYS 62 3HG LYS 62 9.998 16.002 16.481 545 HD2 LYS 62 2HD LYS 62 11.372 16.840 18.322 546 HD3 LYS 62 3HD LYS 62 10.751 15.239 18.725 547 HE2 LYS 62 2HE LYS 62 12.933 14.241 18.133 548 HE3 LYS 62 3HE LYS 62 13.550 15.837 17.699 549 HZ1 LYS 62 3HZ LYS 62 12.711 14.938 20.405 550 HZ2 LYS 62 1HZ LYS 62 13.156 16.522 20.026 551 HZ3 LYS 62 2HZ LYS 62 14.287 15.274 19.889 552 H GLN 63 H GLN 63 10.217 14.633 12.341 553 HA GLN 63 HA GLN 63 12.927 15.732 11.851 554 HB2 GLN 63 2HB GLN 63 10.658 15.313 9.858 555 HB3 GLN 63 3HB GLN 63 12.332 15.704 9.476 556 HG2 GLN 63 2HG GLN 63 11.482 13.121 10.820 557 HG3 GLN 63 3HG GLN 63 11.622 13.306 9.077 558 HE21 GLN 63 1HE2 GLN 63 13.139 11.611 9.082 559 HE22 GLN 63 2HE2 GLN 63 14.775 11.859 9.563 560 H LEU 64 H LEU 64 9.632 16.564 12.376 561 HA LEU 64 HA LEU 64 10.118 19.452 12.008 562 HB2 LEU 64 2HB LEU 64 8.207 18.491 10.661 563 HB3 LEU 64 3HB LEU 64 7.442 17.992 12.160 564 HG LEU 64 HG LEU 64 7.254 20.403 12.842 565 HD11 LEU 64 1HD1 LEU 64 9.134 21.334 11.585 566 HD12 LEU 64 2HD1 LEU 64 7.645 22.196 11.216 567 HD13 LEU 64 3HD1 LEU 64 8.297 21.029 10.060 568 HD21 LEU 64 3HD2 LEU 64 5.419 20.992 11.318 569 HD22 LEU 64 1HD2 LEU 64 5.357 19.286 11.760 570 HD23 LEU 64 2HD2 LEU 64 5.955 19.762 10.169 571 H SER 65 H SER 65 11.276 19.361 13.998 572 HA SER 65 HA SER 65 10.256 18.622 16.525 573 HB2 SER 65 2HB SER 65 12.342 20.752 15.867 574 HB3 SER 65 3HB SER 65 12.102 20.009 17.449 575 HG SER 65 HG SER 65 13.832 19.104 16.123 576 H SER 66 H SER 66 9.726 20.085 18.333 577 HA SER 66 HA SER 66 7.483 21.709 17.896 578 HB2 SER 66 2HB SER 66 7.959 20.553 20.045 579 HB3 SER 66 3HB SER 66 9.319 21.644 20.335 580 HG SER 66 HG SER 66 6.547 22.254 20.245 581 H GLU 67 H GLU 67 7.618 23.534 16.663 582 HA GLU 67 HA GLU 67 10.020 25.009 16.289 583 HB2 GLU 67 2HB GLU 67 7.190 25.649 15.340 584 HB3 GLU 67 3HB GLU 67 8.657 26.432 14.754 585 HG2 GLU 67 2HG GLU 67 9.477 24.241 13.905 586 HG3 GLU 67 3HG GLU 67 7.989 23.481 14.464 587 H LEU 68 H LEU 68 10.268 27.349 16.462 588 HA LEU 68 HA LEU 68 10.144 28.179 19.137 589 HB2 LEU 68 2HB LEU 68 11.887 28.885 17.503 590 HB3 LEU 68 3HB LEU 68 10.695 29.864 16.669 591 HG LEU 68 HG LEU 68 10.451 31.261 18.769 592 HD11 LEU 68 1HD1 LEU 68 11.216 29.649 20.424 593 HD12 LEU 68 2HD1 LEU 68 12.173 31.124 20.513 594 HD13 LEU 68 3HD1 LEU 68 12.849 29.682 19.748 595 HD21 LEU 68 3HD2 LEU 68 13.238 31.186 17.554 596 HD22 LEU 68 1HD2 LEU 68 12.535 32.535 18.455 597 HD23 LEU 68 2HD2 LEU 68 11.838 32.050 16.913 598 H GLY 69 H GLY 69 8.067 28.304 19.963 599 HA2 GLY 69 2HA GLY 69 6.129 29.347 20.623 600 HA3 GLY 69 3HA GLY 69 6.553 30.713 19.607
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